Summary of SITH analysis
Redundant Internal Coordinate Definitions
**Defined by indices of involved atoms**
1           (1, 2)
2           (1, 3)
3           (1, 4)
4           (1, 5)
5           (5, 6)
6           (5, 7)
7           (7, 8)
8           (7, 9)
9           (9, 10)
10          (9, 11)
11          (9, 12)
12          (12, 13)
13          (12, 14)
14          (14, 15)
15          (14, 16)
16          (16, 17)
17          (16, 18)
18          (16, 19)
19          (2, 1, 3)
20          (2, 1, 4)
21          (2, 1, 5)
22          (3, 1, 4)
23          (3, 1, 5)
24          (4, 1, 5)
25          (1, 5, 6)
26          (1, 5, 7)
27          (6, 5, 7)
28          (5, 7, 8)
29          (5, 7, 9)
30          (8, 7, 9)
31          (7, 9, 10)
32          (7, 9, 11)
33          (7, 9, 12)
34          (10, 9, 11)
35          (10, 9, 12)
36          (11, 9, 12)
37          (9, 12, 13)
38          (9, 12, 14)
39          (13, 12, 14)
40          (12, 14, 15)
41          (12, 14, 16)
42          (15, 14, 16)
43          (14, 16, 17)
44          (14, 16, 18)
45          (14, 16, 19)
46          (17, 16, 18)
47          (17, 16, 19)
48          (18, 16, 19)
49          (2, 1, 5, 6)
50          (2, 1, 5, 7)
51          (3, 1, 5, 6)
52          (3, 1, 5, 7)
53          (4, 1, 5, 6)
54          (4, 1, 5, 7)
55          (1, 5, 7, 8)
56          (1, 5, 7, 9)
57          (6, 5, 7, 8)
58          (6, 5, 7, 9)
59          (5, 7, 9, 10)
60          (5, 7, 9, 11)
61          (5, 7, 9, 12)
62          (8, 7, 9, 10)
63          (8, 7, 9, 11)
64          (8, 7, 9, 12)
65          (7, 9, 12, 13)
66          (7, 9, 12, 14)
67          (10, 9, 12, 13)
68          (10, 9, 12, 14)
69          (11, 9, 12, 13)
70          (11, 9, 12, 14)
71          (9, 12, 14, 15)
72          (9, 12, 14, 16)
73          (13, 12, 14, 15)
74          (13, 12, 14, 16)
75          (12, 14, 16, 17)
76          (12, 14, 16, 18)
77          (12, 14, 16, 19)
78          (15, 14, 16, 17)
79          (15, 14, 16, 18)
80          (15, 14, 16, 19)
Changes in internal coordinates (Delta q)
**Distances given in Angstroms, angles given in degrees**
DOF          Gly-streched00  Gly-streched01  Gly-streched02  Gly-streched03  Gly-streched04  Gly-streched05  Gly-streched06  Gly-streched07  Gly-streched08  Gly-streched09  Gly-streched10  Gly-streched11  Gly-streched12  Gly-streched13  Gly-streched14  Gly-streched15 
1               0.000000e+00    1.079978e-04    1.902578e-04    3.156665e-04    1.034559e-04    1.016895e-04    6.484916e-05    8.326935e-06    3.059518e-04    5.084477e-04    5.112233e-04    1.101426e-04   -5.908339e-04   -1.356786e-03   -2.251805e-03   -3.445459e-03
2               0.000000e+00    6.955514e-04    9.404389e-04    1.194915e-03   -7.423589e-04   -1.034559e-03   -1.223807e-03   -7.079156e-04   -2.621723e-04   -9.200001e-04   -1.754586e-03   -2.566084e-03   -3.348690e-03   -4.277017e-03   -5.133808e-03   -6.216309e-03
3               0.000000e+00   -8.702909e-04   -1.374701e-03   -1.801141e-03    7.538399e-04    1.156561e-03    1.378739e-03    1.066100e-03   -2.033791e-04   -8.588098e-04   -1.694405e-03   -2.506155e-03   -3.288761e-03   -4.217088e-03   -5.073879e-03   -6.156380e-03
4               0.000000e+00    3.220253e-03    7.253265e-03    9.291471e-03    1.533544e-03    1.053483e-04   -4.645420e-04   -7.718816e-04    7.301081e-03    2.518620e-02    5.311676e-02    8.789609e-02    1.290212e-01    1.763265e-01    2.327925e-01    3.073647e-01
5               0.000000e+00   -7.498026e-04   -1.545403e-03   -2.856265e-03   -5.346145e-03   -4.996791e-03   -4.124608e-03   -3.409123e-03   -2.663862e-03   -2.590308e-03   -3.034915e-03   -4.000209e-03   -5.434460e-03   -7.412991e-03   -9.761817e-03   -1.272053e-02
6               0.000000e+00    1.123253e-03    2.632321e-03    4.741054e-03    6.068443e-03    3.416440e-03   -9.497752e-04   -4.190972e-03    1.344674e-03    1.216830e-02    2.539627e-02    3.924497e-02    5.325277e-02    6.694944e-02    7.941373e-02    9.007926e-02
7               0.000000e+00   -1.184065e-04   -6.844488e-05   -1.480554e-04    1.108870e-03    2.631248e-03    3.808437e-03    3.799606e-03    3.922176e-03    3.823262e-03    3.660319e-03    3.699998e-03    3.851649e-03    3.722077e-03    3.781879e-03    3.937000e-03
8               0.000000e+00   -1.608612e-04   -1.135491e-04   -1.372809e-03   -9.371335e-03   -1.212086e-02   -1.479923e-02   -1.785837e-02   -1.144651e-02    1.319314e-03    1.907221e-02    3.934855e-02    6.044371e-02    8.143073e-02    1.011671e-01    1.180504e-01
9               0.000000e+00    2.829896e-04    6.187165e-04    1.412803e-03    5.639101e-03    8.055804e-03    9.455740e-03    9.652053e-03    8.385981e-03    8.156359e-03    7.757044e-03    7.243046e-03    6.637577e-03    5.802612e-03    5.106808e-03    4.567576e-03
10              0.000000e+00    1.850851e-04    1.592211e-04   -1.087296e-03   -3.374554e-03   -1.778936e-03   -2.624246e-04    1.716610e-03    3.333045e-03    3.106199e-03    2.707642e-03    2.193643e-03    1.588174e-03    7.532091e-04    5.740538e-05   -4.818267e-04
11              0.000000e+00    5.423863e-04    1.761904e-03    1.867757e-03   -6.901515e-03   -9.382689e-03   -1.106019e-02   -1.176419e-02   -6.258449e-03    6.553172e-03    2.585337e-02    4.961528e-02    7.596284e-02    1.043215e-01    1.330466e-01    1.593065e-01
12              0.000000e+00    2.717609e-04    4.039825e-04   -7.973671e-05   -4.851070e-04   -8.844214e-05    2.638124e-04    1.550576e-04   -1.358300e-03   -3.546769e-03   -5.420835e-03   -7.246073e-03   -9.033211e-03   -1.093806e-02   -1.276418e-02   -1.435589e-02
13              0.000000e+00    3.267691e-04    1.086034e-03    2.527225e-03    1.163752e-03   -5.194241e-04   -1.675228e-03   -1.546539e-03    4.487461e-03    1.691756e-02    2.954724e-02    4.273711e-02    5.594628e-02    6.840981e-02    7.963590e-02    8.864766e-02
14              0.000000e+00   -3.350330e-04   -7.408449e-04   -2.661591e-03   -6.892368e-03   -7.077137e-03   -7.103065e-03   -6.893819e-03   -6.317683e-03   -4.627946e-03   -3.903881e-03   -3.229211e-03   -2.597373e-03   -2.002060e-03   -1.517710e-03   -1.164383e-03
15              0.000000e+00    2.927801e-03    6.337176e-03    7.842964e-03    1.428448e-03    4.709765e-04   -2.494295e-04   -6.493747e-04    7.748970e-03    2.323682e-02    4.828260e-02    7.830574e-02    1.125881e-01    1.490012e-01    1.868065e-01    2.214391e-01
16              0.000000e+00   -8.251236e-05   -8.377401e-05   -6.648932e-05   -4.567198e-05   -1.265442e-04   -2.691114e-04   -1.471092e-04   -4.444817e-04    2.311481e-03    1.351234e-03    3.043116e-04   -7.388262e-04   -1.751432e-03   -2.657301e-03   -3.575283e-03
17              0.000000e+00   -1.868514e-04   -5.869227e-04   -7.524521e-04   -1.073418e-03   -7.014812e-04   -1.690620e-04    4.679485e-04    7.380692e-05   -2.190741e-03   -2.229474e-03   -2.653517e-03   -3.262140e-03   -4.123347e-03   -4.864570e-03   -5.470544e-03
18              0.000000e+00   -1.746133e-04   -3.416566e-04   -5.123588e-04   -3.178114e-04   -7.974933e-04   -1.497460e-03   -2.014487e-03   -1.873813e-03   -2.248146e-03   -3.201580e-03   -4.247872e-03   -5.291010e-03   -6.303616e-03   -7.209485e-03   -8.127467e-03
 19             0.000000e+00   -1.537954e-01   -1.772229e-01   -2.155471e-01    1.790944e-01    2.511802e-01    3.033970e-01    1.678929e-01    1.718066e-01    4.516053e-01    8.497165e-01    1.318766e+00    1.865584e+00    2.518277e+00    3.249073e+00    4.232429e+00
 20             0.000000e+00    1.824207e-01    2.622110e-01    3.228494e-01   -1.813962e-01   -2.701067e-01   -3.135193e-01   -2.540352e-01    7.959219e-02    3.584756e-01    7.571538e-01    1.226156e+00    1.772967e+00    2.425660e+00    3.156456e+00    4.139812e+00
 21             0.000000e+00   -1.321232e-01   -2.615279e-01   -3.284979e-01   -6.741397e-02   -1.572651e-01   -2.196589e-01   -2.239414e-01   -1.391583e-01   -3.439000e-02    2.135117e-01    4.557444e-01    6.188015e-01    6.799317e-01    7.002310e-01    5.631764e-01
 22             0.000000e+00    1.213315e-01    2.822644e-01    4.143329e-01    6.595231e-02    6.923080e-02    6.412865e-02   -2.646698e-02    1.860475e-01    6.618658e-01    1.257936e+00    1.886505e+00    2.549553e+00    3.277739e+00    4.044244e+00    4.950931e+00
 23             0.000000e+00   -1.377581e-01   -2.951393e-01   -2.952554e-01    9.159967e-02    2.030342e-01    3.174399e-01    3.052412e-01   -6.291287e-02   -6.292039e-01   -1.458949e+00   -2.389897e+00   -3.399242e+00   -4.532486e+00   -5.792861e+00   -7.412292e+00
 24             0.000000e+00    1.301971e-01    2.109162e-01    1.322666e-01   -8.127242e-02   -8.591695e-02   -1.402716e-01    3.991563e-02   -2.218309e-01   -7.885180e-01   -1.618721e+00   -2.549662e+00   -3.559007e+00   -4.692251e+00   -5.952626e+00   -7.572057e+00
 25             0.000000e+00    2.355732e-01    4.521449e-01    5.465381e-01    1.295823e-01    3.429848e-01    6.328853e-01    8.703983e-01   -1.990044e-01   -1.813279e+00   -3.656023e+00   -5.410862e+00   -7.089525e+00   -8.728360e+00   -1.039068e+01   -1.224192e+01
 26             0.000000e+00   -7.513208e-02   -1.550316e-01   -2.070504e-01   -1.059581e+00   -1.372390e+00   -1.507313e+00   -1.463778e+00    5.501171e-01    3.114170e+00    5.878197e+00    8.406501e+00    1.070390e+01    1.267854e+01    1.454455e+01    1.636797e+01
 27             0.000000e+00   -1.708913e-01   -3.323843e-01   -3.990606e-01    9.299986e-01    1.019870e+00    8.516153e-01    5.830249e-01   -3.508395e-01   -1.300618e+00   -2.221902e+00   -2.995352e+00   -3.614099e+00   -3.949898e+00   -4.153588e+00   -4.125776e+00
 28             0.000000e+00    2.600936e-02    2.034030e-02    3.080689e-01    4.047160e-01    9.072677e-01    1.897891e+00    2.617943e+00    3.475788e+00    3.705869e+00    3.478684e+00    2.991281e+00    2.517744e+00    1.834930e+00    1.241168e+00    6.561490e-01
 29             0.000000e+00   -1.142008e-02   -5.951827e-02   -5.600482e-01   -2.343575e-01   -1.194600e-01   -8.287752e-02   -2.746829e-01   -1.687876e+00   -2.478580e+00   -2.588778e+00   -2.197531e+00   -1.502833e+00   -5.735720e-01    2.928785e-01    1.156734e+00
 30             0.000000e+00   -3.596778e-02   -1.051303e-01    1.153619e-01   -1.159247e+00   -2.161687e+00   -2.695288e+00   -2.492404e+00   -1.781532e+00   -1.220924e+00   -8.835260e-01   -7.873842e-01   -1.008546e+00   -1.254993e+00   -1.527681e+00   -1.806517e+00
 31             0.000000e+00   -2.942309e-01   -6.043010e-01   -6.057763e-01    1.111600e+00    2.231020e+00    2.745401e+00    2.440884e+00    1.189498e+00    5.187665e-01   -2.182041e-01   -9.062568e-01   -1.489910e+00   -1.966978e+00   -2.384323e+00   -2.688683e+00
 32             0.000000e+00   -1.254501e-01   -2.516720e-01   -5.556564e-01   -6.468872e-01   -5.226939e-01    2.863967e-01    1.460759e+00    1.866117e+00    1.195372e+00    4.588043e-01   -2.292280e-01   -8.128745e-01   -1.289943e+00   -1.707288e+00   -2.011648e+00
 33             0.000000e+00    1.196403e+00    2.370328e+00    2.214573e+00   -3.494817e+00   -4.924389e+00   -5.638287e+00   -5.615467e+00   -3.635758e+00   -9.646140e-01    1.711789e+00    3.981187e+00    5.700018e+00    7.265142e+00    8.489864e+00    9.395547e+00
 34             0.000000e+00   -8.232427e-02   -1.810956e-01   -1.491167e-01   -6.476180e-01   -1.227590e+00   -1.927295e+00   -2.503995e+00   -2.900242e+00   -3.101343e+00   -3.189910e+00   -3.126847e+00   -2.930056e+00   -2.576784e+00   -2.214743e+00   -1.810301e+00
 35             0.000000e+00   -4.623765e-01   -9.384065e-01   -1.014386e+00    9.324506e-01    1.621159e+00    2.091452e+00    2.693567e+00    3.133752e+00    2.505088e+00    1.865229e+00    1.310146e+00    8.826995e-01    3.659410e-01   -2.770325e-02   -3.761385e-01
 36             0.000000e+00   -2.631945e-01   -4.690223e-01    4.490166e-02    2.775563e+00    2.887715e+00    2.525988e+00    1.596864e+00    3.488587e-01   -2.802973e-01   -9.211535e-01   -1.476086e+00   -1.903526e+00   -2.420291e+00   -2.813935e+00   -3.162371e+00
 37             0.000000e+00   -2.580719e-01   -4.832905e-01   -3.584893e-01   -5.889262e-01   -4.408067e-01   -1.114140e-01    4.132401e-01    6.855324e-01    4.784274e-01    3.217566e-01   -5.582997e-02   -7.006681e-01   -1.286220e+00   -1.942397e+00   -2.547292e+00
 38             0.000000e+00    4.586335e-01    8.264256e-01    8.399084e-01    1.220282e+00    1.305126e+00    1.235854e+00    8.270949e-01    3.591313e-02   -8.172731e-01   -5.966717e-01    4.988770e-02    9.878503e-01    1.913068e+00    2.842643e+00    3.609113e+00
 39             0.000000e+00   -2.228008e-01   -4.120653e-01   -5.560730e-01   -6.295385e-01   -8.628168e-01   -1.123129e+00   -1.238737e+00   -7.192053e-01    3.410723e-01    2.771418e-01    8.168906e-03   -2.849555e-01   -6.246208e-01   -8.980196e-01   -1.059595e+00
 40             0.000000e+00    1.282710e-02   -7.980393e-02   -1.266317e-02    9.971530e-01    1.273461e+00    1.567433e+00    1.677358e+00    7.504192e-01   -9.266381e-01   -1.872688e+00   -2.652326e+00   -3.308530e+00   -3.761809e+00   -4.100654e+00   -4.368855e+00
 41             0.000000e+00   -1.609056e-01   -1.878712e-01    7.724944e-02   -1.688423e-02   -4.095655e-01   -8.092408e-01   -9.218297e-01    1.059813e+00    4.645089e+00    7.002146e+00    9.175471e+00    1.117397e+01    1.286373e+01    1.428052e+01    1.545154e+01
 42             0.000000e+00    1.583374e-01    2.737950e-01   -1.441033e-01   -1.233600e+00   -1.027479e+00   -8.232154e-01   -7.347918e-01   -1.776778e+00   -3.684983e+00   -5.095990e+00   -6.489684e+00   -7.831980e+00   -9.068463e+00   -1.014641e+01   -1.104922e+01
 43             0.000000e+00   -4.134314e-02   -9.267201e-02   -1.001784e-01    3.006376e-01    1.885405e-01    1.661922e-01    1.811776e-01   -1.849205e-01    1.432516e+00    8.020964e-01    1.005404e-02   -8.929038e-01   -1.808504e+00   -2.719617e+00   -3.594025e+00
 44             0.000000e+00   -1.903984e-01   -4.533197e-01   -6.035497e-01   -5.626573e-01   -8.541835e-02    3.027140e-01    6.490592e-01    3.635641e-01   -2.414096e+00   -2.560440e+00   -2.692604e+00   -2.829249e+00   -3.005830e+00   -3.323283e+00   -3.680202e+00
 45             0.000000e+00    2.773057e-03    4.448502e-02    7.934631e-02   -1.135724e-01   -3.993680e-01   -6.662440e-01   -9.793672e-01   -7.472364e-01   -9.141525e-01   -1.542202e+00   -2.334135e+00   -3.237107e+00   -4.152707e+00   -5.063820e+00   -5.938228e+00
 46             0.000000e+00    1.108745e-01    2.334012e-01    2.131907e-01    2.079793e-02   -1.706181e-02   -9.724823e-02   -1.325603e-01    9.828642e-03   -1.871404e-01    2.050150e-01    6.993226e-01    1.272410e+00    1.847532e+00    2.457700e+00    3.088591e+00
 47             0.000000e+00    5.029068e-02    1.054171e-01    1.659394e-01    1.630571e-01    1.828100e-01    1.803990e-01    1.380791e-01    2.176986e-01    5.785034e-01    1.186827e+00    1.866383e+00    2.562967e+00    3.262672e+00    3.950650e+00    4.502338e+00
 48             0.000000e+00    7.177163e-02    1.701605e-01    2.521569e-01    1.909516e-01    1.324237e-01    1.157444e-01    1.438096e-01    3.488178e-01    1.482151e+00    1.872920e+00    2.367282e+00    2.940369e+00    3.515492e+00    4.125660e+00    4.756551e+00
 49             0.000000e+00    6.778857e+00    1.033355e+01    1.405427e+01    6.343251e+00    9.511230e+00    1.082926e+01    7.618871e+00   -4.635240e-01   -4.615159e-01   -4.680865e-01   -4.688925e-01    4.689918e-01    4.689644e-01    4.689644e-01   -4.689608e-01
 50             0.000000e+00   -8.146846e+00   -1.267199e+01   -1.703420e+01    6.346177e+00    1.043628e+01    1.235360e+01    8.595493e+00   -6.530812e-01   -6.501470e-01   -6.570170e-01   -6.579252e-01   -6.580196e-01   -6.580008e-01   -6.580008e-01   -6.579996e-01
 51             0.000000e+00   -7.155914e+00   -1.093187e+01   -1.474345e+01    6.591074e+00    9.870115e+00    1.129420e+01    7.899869e+00   -3.809606e-01   -3.534623e-01   -2.790747e-01   -1.871267e-01   -1.018996e-01   -2.861849e-02    3.768898e-02    1.045975e-01
 52             0.000000e+00   -8.523912e+00   -1.327032e+01   -1.772340e+01    6.593988e+00    1.079515e+01    1.281854e+01    8.876487e+00   -5.705120e-01   -5.420985e-01   -4.680046e-01   -3.761658e-01   -2.909387e-01   -2.176508e-01   -1.513433e-01   -8.443480e-02
 53             0.000000e+00   -7.015823e+00   -1.064312e+01   -1.434062e+01    6.675561e+00    1.001789e+01    1.146919e+01    8.060819e+00   -3.164768e-01   -3.385110e-01   -4.264497e-01   -5.199686e-01   -6.053597e-01   -6.785998e-01   -7.449073e-01   -8.118090e-01
 54             0.000000e+00   -8.383825e+00   -1.298157e+01   -1.732057e+01    6.678477e+00    1.094293e+01    1.299353e+01    9.037440e+00   -5.060351e-01   -5.271540e-01   -6.153864e-01   -7.090010e-01   -7.943920e-01   -8.676389e-01   -9.339464e-01   -1.000841e+00
 55             0.000000e+00    1.558442e+00    2.658474e+00    3.464367e+00    2.385723e+00    1.077654e+00   -1.436384e+00   -3.709721e+00   -4.087853e+00   -4.087217e+00   -4.087643e+00   -4.087622e+00   -4.087607e+00   -4.087609e+00   -4.087609e+00   -4.087607e+00
 56             0.000000e+00    4.448256e+00    8.146981e+00    8.824932e+00    8.441899e+00    1.194400e+01    1.177652e+01    7.506873e+00   -3.151422e+00    3.152737e+00    3.152150e+00    3.151822e+00   -3.151818e+00    3.151808e+00    3.151808e+00   -3.151804e+00
 57             0.000000e+00    1.990181e-01    3.439000e-01    5.200643e-01    2.390293e+00    2.008526e+00    8.805480e-02   -2.739343e+00    4.276931e+00   -4.275384e+00   -4.276095e+00    4.276180e+00   -4.276163e+00    4.276167e+00    4.276167e+00    4.276167e+00
 58             0.000000e+00    3.088836e+00    5.832411e+00    5.880640e+00   -8.437336e+00   -1.101311e+01   -1.025209e+01   -6.536499e+00   -3.340498e+00   -3.340895e+00   -3.340606e+00   -3.340380e+00   -3.340373e+00   -3.340374e+00   -3.340374e+00   -3.340374e+00
 59             0.000000e+00   -1.716918e+00   -3.739433e+00   -8.280443e+00   -2.614804e+01   -4.320350e+01   -6.133130e+01   -8.257225e+01   -9.991576e+01   -1.004340e+02   -1.008966e+02   -1.012182e+02   -1.013941e+02   -1.014195e+02   -1.014070e+02   -1.013158e+02
 60             0.000000e+00   -1.381590e+00   -3.044922e+00   -7.456176e+00   -2.562055e+01   -4.268344e+01   -6.076116e+01   -8.185159e+01   -9.819611e+01   -9.768658e+01   -9.723106e+01   -9.690949e+01   -9.673359e+01   -9.670819e+01   -9.672065e+01   -9.681181e+01
 61             0.000000e+00   -1.748931e+00   -3.851872e+00   -8.590534e+00   -2.643965e+01   -4.286248e+01   -6.055950e+01   -8.122745e+01   -9.753185e+01   -9.753589e+01   -9.753891e+01    9.753905e+01    9.753904e+01    9.753904e+01    9.753904e+01   -9.753904e+01
 62             0.000000e+00    1.125472e+00    1.655763e+00   -3.014613e+00   -3.662954e+01   -5.561971e+01   -7.102680e+01   -8.608273e+01   -9.899435e+01   -9.951442e+01   -9.997605e+01   -1.002974e+02   -1.004733e+02   -1.004987e+02   -1.004862e+02   -1.003950e+02
 63             0.000000e+00    1.460800e+00    2.350282e+00   -2.190346e+00   -3.610204e+01    5.509965e+01    7.045666e+01    8.536208e+01    9.727471e+01    9.676700e+01    9.631053e+01    9.598867e+01    9.581278e+01    9.578738e+01    9.579984e+01    9.589100e+01
 64             0.000000e+00    1.093465e+00    1.543336e+00   -3.324704e+00   -3.692114e+01   -5.527868e+01   -7.025500e+01   -8.473794e+01   -9.661044e+01   -9.661630e+01   -9.661839e+01   -9.661823e+01   -9.661823e+01   -9.661823e+01   -9.661823e+01   -9.661823e+01
 65             0.000000e+00    1.811189e+00    5.240647e+00    1.728177e+01    6.030598e+01    7.551025e+01    8.713531e+01    1.006359e+02    1.128017e+02    1.128087e+02    1.128121e+02    1.128119e+02    1.128119e+02    1.128119e+02    1.128119e+02    1.128119e+02
 66             0.000000e+00    3.027693e+00    7.689256e+00    1.985240e+01    6.000732e+01    7.529012e+01    8.695165e+01    1.003948e+02    1.122784e+02    1.122842e+02   -1.122871e+02    1.122870e+02   -1.122870e+02    1.122870e+02    1.122870e+02    1.122870e+02
 67             0.000000e+00    1.849076e+00    5.263962e+00    1.715424e+01    6.019977e+01    7.632989e+01    8.842685e+01    1.019251e+02    1.140685e+02    1.145678e+02    1.149816e+02    1.152395e+02    1.153439e+02    1.153960e+02    1.153777e+02    1.153108e+02
 68             0.000000e+00    3.065580e+00    7.712568e+00    1.972486e+01    5.990110e+01    7.610975e+01    8.824319e+01    1.016840e+02    1.135452e+02    1.140433e+02    1.144566e+02    1.147146e+02    1.148190e+02    1.148711e+02    1.148528e+02    1.147859e+02
 69             0.000000e+00    1.344632e+00    4.270562e+00    1.642111e+01   -6.160894e+01   -7.754863e+01   -8.885739e+01   -1.014510e+02   -1.126166e+02   -1.121317e+02   -1.117249e+02   -1.114664e+02   -1.113621e+02   -1.113100e+02   -1.113282e+02   -1.113951e+02
 70             0.000000e+00    2.561137e+00    6.719168e+00    1.899174e+01    6.131028e+01    7.732849e+01    8.867373e+01    1.012099e+02    1.120933e+02    1.116071e+02    1.111999e+02    1.109415e+02    1.108372e+02    1.107850e+02    1.108033e+02    1.108702e+02
 71             0.000000e+00   -2.525628e+00   -5.562731e+00   -8.690050e+00   -4.483265e+00   -3.054871e+00   -1.845928e+00    1.611105e-01    1.727056e+00    1.730565e+00    1.731321e+00    1.731196e+00    1.731209e+00    1.731209e+00    1.731208e+00    1.731211e+00
 72             0.000000e+00    2.879789e+00    5.770339e+00    6.928274e+00    3.713337e-01   -1.424777e-02   -3.169208e-01    6.342413e-01    3.714703e-01    3.692163e-01   -3.673549e-01    3.677410e-01   -3.677374e-01    3.677274e-01    3.677274e-01    3.677410e-01
 73             0.000000e+00   -1.274281e+00   -3.043519e+00   -6.054594e+00   -4.790667e+00   -3.282903e+00   -2.038839e+00   -9.211193e-02    1.188876e+00    1.191089e+00   -1.191394e+00    1.191349e+00    1.191363e+00    1.191363e+00    1.191363e+00   -1.191366e+00
 74             0.000000e+00   -1.628439e+00   -3.251129e+00   -4.292812e+00   -6.787392e-01   -2.422711e-01   -5.098222e-01   -8.874695e-01   -9.096493e-01   -9.086828e-01   -9.072778e-01   -9.075877e-01   -9.075804e-01   -9.075804e-01   -9.075804e-01   -9.075844e-01
 75             0.000000e+00    1.140560e+00    2.803246e+00    2.547223e+00    3.363185e+00   -2.534642e+00   -8.323774e+00    1.338454e+01   -9.367386e+00    5.142249e+01    5.137099e+01    5.129722e+01    5.118512e+01    5.109081e+01    5.101508e+01    5.090170e+01
 76             0.000000e+00    1.135809e+00    2.759017e+00    2.384402e+00    3.233002e+00   -2.490608e+00   -8.154850e+00   -1.303573e+01   -9.250275e+00    5.059199e+01    5.056954e+01    5.057081e+01    5.057086e+01    5.057086e+01    5.057086e+01    5.057088e+01
 77             0.000000e+00    1.103342e+00    2.705055e+00    2.357078e+00    3.035842e+00   -2.634035e+00   -8.240118e+00   -1.306563e+01   -9.058491e+00    5.034993e+01    5.035620e+01    5.043265e+01    5.054483e+01    5.063915e+01    5.071489e+01    5.082828e+01
 78             0.000000e+00    7.826483e-01    2.598742e+00    4.335771e+00    7.412733e+00    4.440656e-01   -6.853047e+00   -1.422552e+01   -1.150398e+01    4.928464e+01    4.923423e+01    4.916021e+01    4.904812e+01    4.895381e+01    4.887807e+01    4.876468e+01
 79             0.000000e+00    7.778902e-01    2.554504e+00    4.172945e+00    7.282539e+00    4.880990e-01   -6.684119e+00   -1.387672e+01   -1.138687e+01   -4.845414e+01    4.843278e+01    4.843380e+01    4.843385e+01    4.843385e+01    4.843385e+01   -4.843386e+01
 80             0.000000e+00    7.454195e-01    2.500539e+00    4.145611e+00    7.085372e+00    3.446650e-01   -6.769400e+00   -1.390662e+01   -1.119509e+01    4.821209e+01    4.821945e+01    4.829563e+01    4.840782e+01    4.850213e+01    4.857786e+01    4.869126e+01

***********************
**  Energy Analysis  **
***********************
Overall Structural Energies
Deformation        ΔE         Expected ΔE      %Error        Error      
Gly-streched00    0.000000E+00    0.000000E+00         nan    0.000000E+00
Gly-streched01    9.336958E-04    3.936290E-04      137.20    5.400668E-04
Gly-streched02    3.085739E-03    1.590934E-03       93.96    1.494805E-03
Gly-streched03    8.259633E-03    3.502753E-03      135.80    4.756881E-03
Gly-streched04    1.094643E-01    4.620359E-03     2269.17    1.048440E-01
Gly-streched05    2.432527E-01    4.027513E-03     5939.78    2.392252E-01
Gly-streched06    3.697744E-01    3.028768E-03    12108.74    3.667456E-01
Gly-streched07    5.468075E-01    1.844695E-03    29542.16    5.449628E-01
Gly-streched08    7.056757E-01    1.470568E-03    47886.61    7.042052E-01
Gly-streched09    7.622704E-01    4.862443E-03    15576.69    7.574079E-01
Gly-streched10    4.260721E-01    1.338542E-02     3083.11    4.126867E-01
Gly-streched11    4.354995E-01    2.703911E-02     1510.63    4.084604E-01
Gly-streched12    2.922080E-01    4.539067E-02      543.76    2.468173E-01
Gly-streched13    5.284165E-01    6.778314E-02      679.57    4.606333E-01
Gly-streched14    5.874039E-01    9.343033E-02      528.71    4.939736E-01
Gly-streched15    1.083635E+00    1.215434E-01      791.56    9.620916E-01
Energy per DOF (RIC)
DOF          Gly-streched00  Gly-streched01  Gly-streched02  Gly-streched03  Gly-streched04  Gly-streched05  Gly-streched06  Gly-streched07  Gly-streched08  Gly-streched09  Gly-streched10  Gly-streched11  Gly-streched12  Gly-streched13  Gly-streched14  Gly-streched15 
1               0.000000E+00    8.720405E-09    2.955942E-08    5.924726E-08   -3.207574E-08   -4.577200E-08   -4.217234E-08   -8.228004E-09   -3.913369E-07   -7.226220E-07   -6.071024E-07   -1.380160E-07    7.913343E-07    3.040181E-06    6.172306E-06    1.406703E-05
2               0.000000E+00   -7.647370E-07   -1.617460E-06   -2.790530E-06   -2.282854E-07   -3.040125E-07   -3.181035E-07   -1.322859E-07    1.731654E-08    1.535343E-08    9.276898E-08   -2.200907E-07   -2.050710E-07   -8.485926E-07   -2.005346E-06   -3.329775E-06
3               0.000000E+00   -8.310192E-07   -2.000355E-06   -3.594275E-06   -1.484622E-07   -2.333936E-07   -2.879139E-07   -1.176330E-07   -7.046699E-09   -1.670592E-08    7.763143E-08   -8.936079E-07   -1.795883E-06   -2.751388E-06   -4.378671E-06   -5.528615E-06
4               0.000000E+00    5.330972E-06    2.678060E-05    4.254232E-05   -3.046209E-06   -4.485621E-07    2.448972E-06    4.633086E-06   -7.664028E-06    2.451687E-04    1.535263E-03    4.206101E-03    9.482485E-03    1.692211E-02    2.935934E-02    5.011559E-02
5               0.000000E+00    1.887070E-07    6.519256E-07    2.934109E-06   -8.486836E-06   -2.214153E-05   -2.738026E-05   -3.046482E-05   -2.756241E-05   -2.694244E-05   -1.769047E-05   -3.057349E-05   -1.752424E-05   -6.204407E-05   -8.598297E-05   -1.572617E-04
6               0.000000E+00    1.275619E-06    7.028107E-06    2.268591E-05    5.838722E-05    4.197862E-05   -1.119245E-05   -5.031650E-05    2.621315E-05    3.743016E-04    1.050122E-03    1.741656E-03    3.051827E-03    5.117607E-03    7.284626E-03    1.096074E-02
7               0.000000E+00   -1.327768E-09   -1.083424E-08   -1.239532E-08    7.454638E-07    7.891693E-06    1.556602E-05    1.633943E-05    1.698778E-05    1.593294E-05    9.021275E-07    1.302439E-05    2.576163E-08    8.664067E-06    6.888702E-06    2.893670E-06
8               0.000000E+00   -4.516825E-07   -7.166527E-07   -1.513045E-05   -5.822720E-04   -9.592123E-04   -1.419683E-03   -2.075482E-03   -1.573390E-03    1.983584E-04    2.417038E-03    5.403230E-03    7.203987E-03    1.409895E-02    1.920855E-02    2.933586E-02
9               0.000000E+00    1.207373E-09    8.754797E-10    2.624410E-07   -2.474839E-05   -8.676269E-05   -1.272761E-04   -1.665936E-04   -1.800610E-04   -1.776254E-04   -9.526536E-05   -6.967688E-05    1.627271E-07   -5.683936E-05   -5.018365E-05   -1.015754E-04
10              0.000000E+00   -9.580377E-09   -2.141158E-08    3.724478E-07   -4.928809E-06   -3.300548E-06   -9.233808E-07    9.566271E-06    2.510980E-05    2.247613E-05   -1.772708E-05   -1.305890E-05   -3.171526E-05   -4.856469E-06   -3.813323E-07   -2.998570E-06
11              0.000000E+00    1.469027E-06    1.072742E-05    2.048721E-05   -1.953288E-04   -5.685962E-04   -8.586073E-04   -1.136644E-03   -7.152605E-04    8.038917E-04    2.738152E-03    5.288893E-03    7.270055E-03    1.483770E-02    2.133776E-02    3.507351E-02
12              0.000000E+00    2.495716E-08    6.459011E-08    1.633632E-09   -1.031845E-06   -6.452005E-07    2.814456E-06    2.239136E-06   -2.299706E-05   -6.951453E-05   -8.449027E-05   -2.406583E-05   -1.542382E-05   -4.187098E-05   -5.090514E-05   -3.015490E-04
13              0.000000E+00    1.076560E-07    1.019231E-06    3.145253E-06   -9.515685E-06    5.767483E-06    2.657031E-05    3.117100E-05   -7.582932E-05   -1.379130E-04    3.299759E-04    1.547758E-03    3.041814E-03    4.402777E-03    6.129626E-03    6.261901E-03
14              0.000000E+00    2.260464E-07    1.089821E-06    9.085472E-06    6.282036E-05    8.504066E-05    9.772189E-05    1.056872E-04    1.085111E-04    7.436819E-05    5.987743E-05    3.685765E-05    2.392495E-05    2.332807E-05    1.783089E-05    1.945858E-05
15              0.000000E+00    4.962092E-06    2.367586E-05    3.621512E-05   -8.861639E-07   -6.066905E-07    5.096313E-07    1.661031E-06    2.499319E-05    3.009981E-04    1.434597E-03    3.885895E-03    8.004861E-03    1.387237E-02    2.167579E-02    2.985886E-02
16              0.000000E+00    1.022242E-09   -2.745985E-09   -8.279295E-09   -1.062319E-08   -4.582352E-08   -1.045814E-07   -7.760769E-08   -2.651394E-07   -1.514552E-05    2.195462E-06    5.405874E-07   -1.009594E-06   -2.767392E-06   -4.166697E-06    2.535925E-05
17              0.000000E+00   -1.091314E-08   -2.652734E-08   -7.270441E-08   -3.441928E-07   -2.509441E-07   -9.293566E-08   -6.112270E-07    6.695825E-08   -4.720635E-06   -8.040214E-06   -7.525981E-06   -1.022160E-05   -1.375837E-05   -1.784909E-05   -2.153582E-05
18              0.000000E+00    2.825065E-09    1.321210E-08    3.443474E-09   -1.935403E-07   -8.280278E-07   -1.848317E-06   -7.740596E-06   -3.709761E-06   -2.215436E-05    6.800465E-06    5.587274E-06    1.351123E-05    5.440213E-06    3.239115E-06   -8.963941E-05
19              0.000000E+00    3.400496E-06    5.869962E-06    9.739223E-06    1.143208E-08   -1.685358E-07   -1.534967E-07    9.338031E-09    7.214165E-07    6.510260E-07   -3.011803E-06    7.479338E-07   -1.225655E-05   -7.634347E-06   -1.403924E-05   -1.271244E-05
20              0.000000E+00    4.027817E-06    8.698733E-06    1.463492E-05   -5.930780E-07   -1.922257E-06   -2.765122E-06   -2.109521E-06    4.745456E-07    2.625969E-06    4.775367E-06   -4.980672E-06   -6.353932E-06   -1.081806E-05   -1.780211E-05   -5.459144E-06
21              0.000000E+00    6.782703E-08    2.222257E-07    2.074144E-07    3.260544E-07    1.330933E-06    2.199490E-06    2.424607E-06    1.434139E-06    2.994334E-07   -7.101218E-08    5.808737E-06    1.352680E-05    1.917913E-05    2.620883E-05    2.313577E-05
22              0.000000E+00    1.255680E-07    6.835510E-07    1.519225E-06    1.996690E-08    1.082519E-07    1.426345E-07   -2.570802E-08    1.305002E-07    2.101593E-07    6.911356E-07   -2.426349E-06   -5.623639E-06   -3.517478E-06   -4.696886E-06    4.023703E-06
23              0.000000E+00    1.558073E-06    5.359803E-06    7.131879E-06    9.075816E-07    2.178865E-06    3.401037E-06    1.605260E-06    4.557393E-07    2.308056E-06   -3.260575E-06    4.040219E-05    4.745126E-05    1.131708E-04    1.679001E-04    2.413076E-04
24              0.000000E+00    1.402451E-06    3.482713E-06    2.769708E-06    6.885765E-07    8.452772E-07    1.502070E-06   -1.311336E-07   -1.572135E-06   -2.847723E-06    8.411936E-06   -2.112986E-05   -1.206911E-05   -1.878587E-05   -5.660010E-06    5.178720E-05
25              0.000000E+00   -7.018617E-07   -3.675640E-06   -1.643917E-05   -2.416621E-05   -9.287887E-05   -2.077615E-04   -3.455983E-04    9.741927E-05    1.005225E-03    1.670847E-03    2.421404E-03    2.537691E-03    5.127389E-03    6.809556E-03    1.184838E-02
26              0.000000E+00    6.686399E-07    3.013640E-06    8.022418E-06    1.916821E-04    3.830949E-04    5.201929E-04    6.024336E-04   -2.084388E-04   -8.786031E-04    9.300015E-05    1.308774E-03    4.592452E-03    4.330608E-03    6.224720E-03    5.011345E-03
27              0.000000E+00   -2.043733E-06   -9.207184E-06   -2.754215E-05    3.419649E-04    5.613205E-04    5.739344E-04    4.718178E-04   -3.049047E-04   -1.088884E-03   -9.816755E-04   -8.748636E-04    2.562112E-04   -9.723070E-04   -9.457008E-04   -2.732937E-03
28              0.000000E+00   -6.120439E-07   -1.075739E-06   -3.193170E-05   -1.700586E-04   -5.537841E-04   -1.417009E-03   -2.389336E-03   -3.544264E-03   -3.894648E-03   -2.189370E-03   -1.930337E-03   -6.833908E-04   -1.379718E-03   -9.971110E-04   -8.661653E-04
29              0.000000E+00   -5.342637E-07   -6.241266E-06   -1.154297E-04   -1.870633E-04   -1.443704E-04   -1.239738E-04   -4.995093E-04   -3.410551E-03   -5.137708E-03   -3.471008E-03   -2.730047E-03   -9.173053E-04   -8.248462E-04    4.493645E-04    2.958833E-03
30              0.000000E+00    8.293233E-07    5.423106E-06   -1.174534E-05    4.362270E-04    1.286273E-03    2.008591E-03    2.245078E-03    1.772920E-03    1.240462E-03    6.245736E-04    4.678104E-04    3.402457E-04    8.571684E-04    1.111598E-03    2.224351E-03
31              0.000000E+00    8.087982E-06    3.622908E-05    6.374469E-05   -2.801470E-04   -1.117933E-03   -1.748084E-03   -1.977361E-03   -1.147734E-03   -5.256609E-04    2.199884E-05    7.939091E-04   -1.870545E-05    1.869202E-03    2.345235E-03    3.273860E-03
32              0.000000E+00    1.689583E-06    6.988478E-06    2.403625E-05   -1.694087E-04   -4.408734E-05    1.846995E-05    8.241420E-05    7.124070E-05    2.215859E-05   -2.626081E-04   -6.013281E-05    2.598151E-04   -2.738303E-04   -3.261771E-04    2.564338E-04
33              0.000000E+00    9.052658E-05    3.849884E-04    6.079818E-04   -2.567026E-03   -6.207690E-03   -8.942204E-03   -1.108571E-02   -8.482076E-03   -2.368568E-03    3.241131E-03    7.013609E-03    6.982647E-03    1.439027E-02    1.762834E-02    2.884954E-02
34              0.000000E+00   -6.324499E-07   -2.960521E-06   -3.996299E-06    6.773935E-05    2.894317E-04    5.382254E-04    7.917688E-04    9.911078E-04    1.017395E-03    1.233256E-03    1.217119E-03    1.307262E-03    9.508588E-04    7.985780E-04    4.870776E-04
35              0.000000E+00    1.356355E-05    5.912321E-05    1.153442E-04   -4.109038E-04   -1.010931E-03   -1.621343E-03   -2.540832E-03   -3.392274E-03   -2.798442E-03   -2.021957E-03   -3.615288E-04   -2.254388E-04   -1.294267E-04    1.075597E-05    4.996488E-04
36              0.000000E+00    3.692966E-06    1.415257E-05   -1.929760E-06   -6.241617E-04   -7.798741E-05   -2.838990E-05   -3.785776E-05   -1.878276E-05    2.490431E-05   -1.875132E-04    8.036977E-04    4.805817E-04    1.414275E-03    1.689842E-03    6.588937E-04
37              0.000000E+00    6.667128E-06    2.609497E-05    3.627108E-05    2.316209E-04    2.356502E-04    7.402713E-05   -3.331098E-04   -6.291835E-04   -4.425041E-04   -2.044057E-04    3.650693E-05    2.820766E-04    9.624152E-04    1.544693E-03    2.942443E-03
38              0.000000E+00    2.391092E-05    8.949544E-05    1.633792E-04    8.115064E-04    1.275965E-03    1.512283E-03    1.233322E-03    6.029951E-05   -1.391518E-03   -7.184528E-04    5.778471E-05    7.290188E-04    2.623612E-03    4.195608E-03    8.077214E-03
39              0.000000E+00    5.864546E-06    2.239672E-05    5.198407E-05    1.720498E-04    3.841478E-04    6.309507E-04    8.522645E-04    5.498286E-04   -2.663793E-04   -1.578048E-04   -4.142287E-06    9.559600E-05    3.909208E-04    6.137057E-04    1.150861E-03
40              0.000000E+00    7.984864E-08   -8.135781E-07   -2.553497E-07    1.048809E-04    2.099302E-04    3.149551E-04    4.023368E-04    1.726026E-04   -1.878990E-04   -9.440813E-05   -6.719179E-05    3.298927E-04    1.025588E-04    1.989229E-04   -1.875235E-04
41              0.000000E+00    1.241003E-06    2.238102E-06   -9.180272E-07    1.442154E-06    5.869368E-05    1.523872E-04    2.124978E-04   -2.102892E-04   -6.084331E-04    3.543717E-04    1.626914E-03    3.606668E-03    3.921739E-03    5.094199E-03    3.763610E-03
42              0.000000E+00    2.479564E-07    5.232801E-07    1.125120E-06    2.231429E-05    1.958370E-05    8.010415E-06    4.106074E-06    4.923148E-05    2.452258E-04    5.101381E-04    1.287064E-03    1.737994E-03    2.476482E-03    3.080481E-03    3.102067E-03
43              0.000000E+00    5.639073E-08    3.032223E-07    5.585736E-07   -5.432890E-06   -5.894733E-06   -6.461907E-06   -8.934719E-06    1.076730E-05   -2.732422E-04   -3.963273E-06   -1.072751E-08   -1.904776E-05    1.114984E-05    2.189191E-05    7.236034E-04
44              0.000000E+00   -7.828464E-09    7.130923E-08   -1.046411E-06   -1.948470E-05   -4.630242E-06    2.070756E-05    2.755214E-05    3.336979E-05   -2.041781E-04   -2.133997E-04   -2.370390E-04   -1.684716E-04   -3.370050E-04   -4.057319E-04   -5.164345E-04
45              0.000000E+00    5.556846E-09    2.002417E-07    4.748414E-07    5.523509E-07   -2.675908E-08   -1.394616E-06   -4.601935E-05   -9.914127E-06   -1.260217E-04    8.531938E-05    1.468742E-04    2.375375E-04    3.121970E-04    4.011828E-04   -6.255565E-04
46              0.000000E+00    3.226971E-08    1.432624E-07   -1.614052E-07   -2.510494E-07    2.814646E-07    1.905079E-06    8.868878E-06   -2.263519E-07    3.609469E-05   -6.603699E-06   -3.431934E-05   -4.207363E-05   -9.845964E-05   -1.357687E-04   -6.213941E-04
47              0.000000E+00   -2.144313E-08   -8.540002E-08   -1.209368E-07    1.177902E-06    1.556253E-06    1.538564E-06    7.246690E-06    1.857741E-06    1.347577E-05    2.033205E-05    5.077310E-05    5.233629E-05    1.054110E-04    1.339592E-04    1.657261E-04
48              0.000000E+00   -3.886009E-08   -1.464707E-07   -1.650269E-07   -1.313832E-06   -1.997082E-06   -2.390114E-06   -3.819893E-06   -1.130973E-05    2.012261E-04   -1.560067E-05   -6.543679E-06    1.386539E-05   -3.642000E-05   -5.801983E-05    5.614304E-04
49              0.000000E+00    2.437728E-04    5.802604E-04    1.090584E-03    2.681976E-04    6.093077E-04    8.527487E-04    7.110530E-04   -4.336127E-05   -4.809726E-05   -4.145587E-05   -1.929523E-05    1.540647E-05    2.284035E-05    2.404646E-05   -5.049410E-05
50              0.000000E+00   -1.055503E-04   -2.317122E-04   -3.813760E-04   -2.959681E-04   -6.696569E-04   -9.785402E-04   -7.864646E-04    5.964383E-05    6.467533E-05    6.027945E-05    2.076499E-05    1.655942E-05    2.292227E-05    2.437280E-05    6.569127E-05
51              0.000000E+00    2.853574E-06   -8.477744E-06   -4.180107E-05    3.043480E-04    6.438359E-04    8.933272E-04    7.111159E-04   -3.315351E-05   -3.455503E-05   -2.383958E-05   -7.167690E-06   -2.953932E-06   -1.308758E-06    1.879717E-06    1.127745E-05
52              0.000000E+00    1.994898E-04    4.922251E-04    9.282455E-04   -2.818418E-04   -6.800660E-04   -1.010866E-03   -8.415710E-04    5.582330E-05    5.742571E-05    4.440805E-05    1.294312E-05    8.445107E-06    8.229126E-06    5.817927E-06    8.417269E-06
53              0.000000E+00   -3.556114E-06   -2.876818E-05   -7.693926E-05    3.161389E-04    6.773988E-04    9.379660E-04    7.438534E-04   -2.777279E-05   -3.320757E-05   -3.601278E-05   -1.661812E-05   -1.239647E-05   -2.225391E-05   -2.451782E-05   -7.056370E-05
54              0.000000E+00    1.886186E-04    4.564930E-04    8.633284E-04   -2.775599E-04   -6.632428E-04   -9.897746E-04   -8.363703E-04    4.914494E-05    5.566477E-05    5.899330E-05    2.889329E-05    2.981980E-05    4.402935E-05    5.174289E-05    1.206870E-04
55              0.000000E+00    8.657237E-06    1.912440E-05   -3.747705E-06   -2.083558E-04   -1.571459E-04    2.875330E-04    9.792005E-04    1.312292E-03    1.300295E-03    1.118809E-03    5.892378E-04    4.553378E-04    6.657482E-04    7.027548E-04    1.520760E-03
56              0.000000E+00    8.364228E-05    2.761718E-04    3.757952E-04    2.297366E-04    7.665656E-04    8.473403E-04    5.867356E-04   -2.169662E-04    2.583746E-04    1.042806E-04    1.559506E-04    1.289085E-05    1.576956E-04    1.583150E-04   -2.246616E-04
57              0.000000E+00   -3.456333E-06   -1.049263E-05   -2.909267E-05   -4.176819E-04   -5.459534E-04   -3.129525E-05    1.220400E-03   -2.148122E-03    2.214964E-03    1.930609E-03   -9.191082E-04    7.209543E-04   -1.044382E-03   -1.102967E-03   -2.459673E-03
58              0.000000E+00   -1.272169E-05   -2.219683E-05   -7.218719E-05    5.078651E-04    6.807834E-04    8.537579E-04    6.758293E-04    3.754324E-04    3.941730E-04    4.833901E-04    7.116844E-05    2.047437E-04    1.046540E-04    1.195203E-04    4.405392E-04
59              0.000000E+00    2.830312E-05    1.275852E-04    4.996953E-04    4.434164E-03    1.737203E-02    3.206982E-02    5.401260E-02    7.611060E-02    7.803275E-02    7.078279E-02    6.404440E-02    5.720835E-02    6.868010E-02    7.076017E-02    9.034558E-02
60              0.000000E+00    3.262499E-06    1.142236E-05    5.911090E-05    1.329917E-03   -4.965531E-03   -8.266898E-03   -1.244892E-02   -1.702421E-02   -1.763214E-02   -1.446754E-02   -1.744275E-02   -1.429672E-02   -1.761767E-02   -1.765817E-02   -1.886677E-02
61              0.000000E+00    4.279822E-05    2.001115E-04    8.780445E-04    1.144991E-02    3.146595E-02    5.651350E-02    9.337442E-02    1.279414E-01    1.293700E-01    9.184652E-02   -4.560889E-02   -1.032016E-02   -5.096572E-02   -5.355521E-02    1.422950E-01
62              0.000000E+00   -3.907843E-06   -1.307346E-05    5.268858E-05    2.108810E-03    1.090471E-02    1.816180E-02    2.739960E-02    3.753119E-02    3.825272E-02    3.993669E-02    4.444659E-02    4.604124E-02    4.712113E-02    4.828009E-02    4.591031E-02
63              0.000000E+00    1.555934E-05    5.281520E-05   -7.653276E-05   -2.169722E-03    1.776265E-02    2.841144E-02    4.165012E-02    5.408402E-02    5.545318E-02    4.342364E-02    3.547530E-02    2.431431E-02    3.740390E-02    3.830917E-02    6.034482E-02
64              0.000000E+00   -1.252938E-05   -3.970791E-05    1.972945E-04    1.185354E-02    2.919127E-02    4.678971E-02    6.895220E-02    8.976732E-02    9.022236E-02    6.179366E-02    2.686067E-02   -1.630658E-05    3.035752E-02    3.205266E-02    9.897823E-02
65              0.000000E+00    2.760214E-05    1.787228E-04    1.159863E-03    1.645806E-02    3.088979E-02    4.401483E-02    6.300076E-02    8.113876E-02    8.443779E-02    2.328580E-02    5.416903E-02   -4.114777E-03    5.810955E-02    5.996327E-02    9.479069E-02
66              0.000000E+00    5.517654E-05    3.208787E-04    1.721645E-03    2.925944E-02    5.299144E-02    7.409215E-02    1.034093E-01    1.308078E-01    1.344787E-01   -3.228843E-02    9.499201E-02    2.817130E-03    9.910518E-02    1.011119E-01    1.444681E-01
67              0.000000E+00    1.262987E-05    7.817055E-05    4.266239E-04    6.300929E-03    9.500087E-03    1.286417E-02    1.744282E-02    2.213815E-02    2.445946E-02    5.639227E-02    3.054036E-02    6.280866E-02    3.312482E-02    3.419112E-02    3.216908E-02
68              0.000000E+00    3.008721E-05    1.733609E-04    8.773098E-04    1.912974E-02    3.190598E-02    4.345567E-02    5.848184E-02    7.264670E-02    7.557118E-02    6.542181E-02    7.236429E-02    6.383015E-02    7.518980E-02    7.640983E-02    8.325651E-02
69              0.000000E+00   -1.166530E-05   -7.967207E-05   -5.343661E-04    2.458320E-02    4.137852E-02    5.720561E-02    7.776496E-02    9.812157E-02    9.808831E-02    5.456202E-02    7.342563E-02    3.065397E-02    7.562286E-02    7.669677E-02    1.032279E-01
70              0.000000E+00   -1.457620E-05   -7.410252E-05   -2.456378E-04   -1.130142E-02   -1.846854E-02   -2.631976E-02   -3.669141E-02   -4.770271E-02   -4.749996E-02   -4.528286E-02   -3.249702E-02   -2.924748E-02   -3.455221E-02   -3.545492E-02   -5.325532E-02
71              0.000000E+00   -4.329027E-06   -2.402664E-05   -8.885274E-05    1.034663E-04    6.760887E-05    5.295254E-05   -3.611643E-06   -4.875590E-05    6.298085E-06   -2.178793E-05    6.688190E-05    7.477121E-05    7.960836E-05    8.533448E-05    4.242241E-05
72              0.000000E+00   -2.457407E-06   -1.127585E-05   -3.384632E-05   -2.855220E-05    1.452777E-06    3.870337E-05   -9.115743E-05   -5.682096E-05   -6.063589E-05    1.471799E-05   -3.547170E-05   -3.968757E-06   -3.450468E-05   -3.414686E-05   -5.696688E-05
73              0.000000E+00   -6.077620E-06   -3.694833E-05   -1.840295E-04   -9.501793E-04   -9.239783E-04   -6.700775E-04   -3.625788E-05    5.122819E-04    5.553403E-04   -8.453670E-05    4.951247E-04    6.559961E-05    5.057576E-04    5.113659E-04   -5.762466E-04
74              0.000000E+00   -3.585954E-06   -1.907334E-05   -6.561615E-05   -9.809618E-05   -4.884618E-05   -1.199201E-04   -2.416748E-04   -2.785020E-04   -2.711308E-04   -3.944476E-05   -2.545860E-04   -2.057018E-05   -2.583916E-04   -2.605452E-04   -2.761514E-04
75              0.000000E+00    1.561600E-06    9.759776E-06    2.150682E-05    9.426636E-05   -1.032175E-04   -3.834702E-04    1.496268E-03   -5.656481E-04    9.644122E-03    4.368190E-04    3.867822E-03    8.321169E-04    3.797738E-03    3.783069E-03    9.389777E-03
76              0.000000E+00    1.028525E-06    5.824724E-06    1.218786E-05    7.440926E-05   -8.459962E-05   -3.213320E-04   -3.258778E-04   -4.780215E-04   -5.850273E-03    8.318827E-04    3.435328E-03    1.265517E-03    3.697795E-03    3.814305E-03   -5.143463E-03
77              0.000000E+00    1.693291E-06    1.029418E-05    2.177654E-05    1.027628E-04   -1.328767E-04   -4.899655E-04   -6.458461E-04   -7.190201E-04    9.901356E-03    1.257760E-03    4.115430E-03    1.154204E-03    4.312589E-03    4.399539E-03    1.036779E-02
78              0.000000E+00   -1.043338E-06   -7.960304E-06   -3.250388E-05   -2.163811E-04   -1.961610E-05    3.644756E-04    2.348360E-04    8.245034E-04    5.570597E-04   -1.111457E-03   -3.283118E-03   -9.540094E-04   -3.583777E-03   -3.714163E-03   -2.396952E-04
79              0.000000E+00   -1.397632E-06   -1.132559E-05   -4.518641E-05   -2.490907E-04   -2.485845E-05    4.000441E-04    1.433466E-03    9.152711E-04    1.414281E-02   -7.084668E-04   -3.596366E-03   -5.174118E-04   -3.604417E-03   -3.618943E-03    1.409872E-02
80              0.000000E+00   -8.703121E-07   -6.849479E-06   -2.778028E-05   -1.655815E-04   -1.187388E-05    2.693730E-04    1.096787E-03    5.897655E-04    9.838607E-04   -2.941800E-04   -2.925836E-03   -6.231164E-04   -3.025431E-03   -3.079535E-03    7.105310E-04
XYZ FILES APPENDED
