NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
565286 | 2lwz | 18654 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HT1 PHE 1 -5.192 -11.771 3.764 2 H2 PHE 1 HT2 PHE 1 -4.550 -13.128 2.969 3 H3 PHE 1 HT3 PHE 1 -6.221 -12.824 2.924 4 HA PHE 1 HA PHE 1 -5.344 -10.550 1.909 5 HB2 PHE 1 HB2 PHE 1 -3.006 -11.611 2.104 6 HB3 PHE 1 HB1 PHE 1 -3.473 -12.648 0.768 7 HD1 PHE 1 HD2 PHE 1 -5.189 -9.822 -0.146 8 HD2 PHE 1 HD1 PHE 1 -1.150 -11.121 0.446 9 HE1 PHE 1 HE2 PHE 1 -4.408 -8.112 -1.688 10 HE2 PHE 1 HE1 PHE 1 -0.367 -9.387 -1.107 11 HZ PHE 1 HZ PHE 1 -1.986 -7.875 -2.180 12 H VAL 2 HN VAL 2 -7.370 -12.696 1.938 13 HA VAL 2 HA VAL 2 -7.581 -13.443 -0.944 14 HB VAL 2 HB VAL 2 -9.570 -14.824 0.118 15 HG11 VAL 2 HG11 VAL 2 -7.919 -16.610 0.766 16 HG12 VAL 2 HG12 VAL 2 -6.633 -15.420 0.561 17 HG13 VAL 2 HG13 VAL 2 -7.618 -15.900 -0.821 18 HG21 VAL 2 HG21 VAL 2 -7.811 -14.619 2.564 19 HG22 VAL 2 HG22 VAL 2 -9.468 -15.207 2.437 20 HG23 VAL 2 HG23 VAL 2 -9.137 -13.479 2.339 21 H ASN 3 HN ASN 3 -10.357 -13.164 1.148 22 HA ASN 3 HA ASN 3 -11.503 -11.116 -0.688 23 HB2 ASN 3 HB2 ASN 3 -12.971 -12.752 1.391 24 HB3 ASN 3 HB1 ASN 3 -13.661 -11.864 0.035 25 HD21 ASN 3 HD21 ASN 3 -14.059 -13.093 -1.796 26 HD22 ASN 3 HD22 ASN 3 -13.325 -14.581 -2.155 27 H GLN 4 HN GLN 4 -9.622 -10.575 1.587 28 HA GLN 4 HA GLN 4 -11.372 -9.067 3.457 29 HB2 GLN 4 HB2 GLN 4 -8.903 -8.580 4.413 30 HB3 GLN 4 HB1 GLN 4 -9.767 -10.069 4.772 31 HG2 GLN 4 HG2 GLN 4 -8.619 -11.218 2.930 32 HG3 GLN 4 HG1 GLN 4 -7.784 -9.724 2.504 33 HE21 GLN 4 HE21 GLN 4 -7.489 -12.570 4.300 34 HE22 GLN 4 HE22 GLN 4 -6.237 -12.087 5.337 35 H HIS 5 HN HIS 5 -10.906 -6.816 3.888 36 HA HIS 5 HA HIS 5 -10.281 -5.339 1.410 37 HB2 HIS 5 HB2 HIS 5 -11.255 -3.435 2.576 38 HB3 HIS 5 HB1 HIS 5 -12.320 -4.825 2.750 39 HD2 HIS 5 HD2 HIS 5 -12.022 -2.347 5.104 40 HE1 HIS 5 HE1 HIS 5 -10.461 -5.519 7.416 41 HE2 HIS 5 HE2 HIS 5 -11.437 -3.173 7.499 42 H LEU 6 HN LEU 6 -8.434 -4.197 1.116 43 HA LEU 6 HA LEU 6 -6.421 -4.124 3.308 44 HB2 LEU 6 HB2 LEU 6 -6.358 -3.873 0.320 45 HB3 LEU 6 HB1 LEU 6 -5.107 -3.061 1.225 46 HG LEU 6 HG LEU 6 -4.126 -5.038 1.949 47 HD11 LEU 6 HD11 LEU 6 -6.873 -6.210 1.797 48 HD12 LEU 6 HD12 LEU 6 -5.707 -6.254 3.118 49 HD13 LEU 6 HD13 LEU 6 -5.482 -7.285 1.714 50 HD21 LEU 6 HD21 LEU 6 -5.498 -5.730 -0.664 51 HD22 LEU 6 HD22 LEU 6 -4.196 -6.650 0.045 52 HD23 LEU 6 HD23 LEU 6 -3.904 -4.999 -0.463 53 H CYS 7 HN CYS 7 -5.851 -2.205 4.278 54 HA CYS 7 HA CYS 7 -6.576 0.354 3.010 55 HB2 CYS 7 HB2 CYS 7 -8.463 -0.733 4.619 56 HB3 CYS 7 HB1 CYS 7 -7.515 0.114 5.838 57 H GLY 8 HN GLY 8 -4.901 1.698 3.334 58 HA2 GLY 8 HA2 GLY 8 -3.080 2.753 4.399 59 HA3 GLY 8 HA1 GLY 8 -3.584 1.977 5.900 60 H SER 9 HN SER 9 -1.497 1.306 6.504 61 HA SER 9 HA SER 9 0.517 0.151 4.973 62 HB2 SER 9 HB2 SER 9 -0.379 -0.524 7.785 63 HB3 SER 9 HB1 SER 9 1.096 -1.165 7.066 64 HG SER 9 HG SER 9 1.105 0.941 8.337 65 H ASP 10 HN ASP 10 -2.484 -1.383 6.063 66 HA ASP 10 HA ASP 10 -1.900 -4.089 5.649 67 HB2 ASP 10 HB2 ASP 10 -4.362 -2.420 5.215 68 HB3 ASP 10 HB1 ASP 10 -4.385 -4.102 4.702 69 H LEU 11 HN LEU 11 -2.971 -1.724 3.200 70 HA LEU 11 HA LEU 11 -2.850 -3.427 0.962 71 HB2 LEU 11 HB2 LEU 11 -3.820 -1.203 0.761 72 HB3 LEU 11 HB1 LEU 11 -2.287 -0.453 1.190 73 HG LEU 11 HG LEU 11 -1.268 -1.196 -0.870 74 HD11 LEU 11 HD11 LEU 11 -3.816 -2.768 -1.212 75 HD12 LEU 11 HD12 LEU 11 -2.159 -3.375 -1.179 76 HD13 LEU 11 HD13 LEU 11 -2.718 -2.421 -2.539 77 HD21 LEU 11 HD21 LEU 11 -4.067 -0.179 -1.441 78 HD22 LEU 11 HD22 LEU 11 -2.692 -0.083 -2.540 79 HD23 LEU 11 HD23 LEU 11 -2.680 0.831 -1.032 80 H VAL 12 HN VAL 12 -0.303 -1.212 2.153 81 HA VAL 12 HA VAL 12 1.740 -1.807 0.372 82 HB VAL 12 HB VAL 12 2.168 -1.591 3.363 83 HG11 VAL 12 HG11 VAL 12 4.086 -2.141 1.699 84 HG12 VAL 12 HG12 VAL 12 4.326 -0.804 2.818 85 HG13 VAL 12 HG13 VAL 12 3.887 -0.480 1.143 86 HG21 VAL 12 HG21 VAL 12 1.743 0.591 1.298 87 HG22 VAL 12 HG22 VAL 12 2.260 0.865 2.960 88 HG23 VAL 12 HG23 VAL 12 0.660 0.204 2.633 89 H GLU 13 HN GLU 13 1.508 -3.460 3.548 90 HA GLU 13 HA GLU 13 3.330 -5.512 3.060 91 HB2 GLU 13 HB2 GLU 13 0.683 -5.867 4.495 92 HB3 GLU 13 HB1 GLU 13 2.145 -6.825 4.728 93 HG2 GLU 13 HG2 GLU 13 3.341 -4.834 5.535 94 HG3 GLU 13 HG1 GLU 13 1.899 -3.852 5.275 95 H ALA 14 HN ALA 14 0.089 -5.148 1.790 96 HA ALA 14 HA ALA 14 -0.026 -7.886 0.771 97 HB1 ALA 14 HB1 ALA 14 -2.217 -7.359 0.742 98 HB2 ALA 14 HB2 ALA 14 -1.923 -6.237 -0.591 99 HB3 ALA 14 HB3 ALA 14 -1.848 -5.671 1.071 100 H LEU 15 HN LEU 15 0.293 -4.654 -0.830 101 HA LEU 15 HA LEU 15 0.742 -5.648 -3.416 102 HB2 LEU 15 HB2 LEU 15 1.905 -3.237 -2.024 103 HB3 LEU 15 HB1 LEU 15 2.291 -3.608 -3.701 104 HG LEU 15 HG LEU 15 -0.604 -3.488 -2.858 105 HD11 LEU 15 HD11 LEU 15 0.930 -1.062 -3.829 106 HD12 LEU 15 HD12 LEU 15 0.649 -1.356 -2.116 107 HD13 LEU 15 HD13 LEU 15 -0.715 -1.128 -3.205 108 HD21 LEU 15 HD21 LEU 15 0.124 -4.296 -5.140 109 HD22 LEU 15 HD22 LEU 15 0.793 -2.695 -5.428 110 HD23 LEU 15 HD23 LEU 15 -0.939 -2.893 -5.181 111 H TYR 16 HN TYR 16 2.940 -5.441 -0.663 112 HA TYR 16 HA TYR 16 5.396 -5.943 -1.882 113 HB2 TYR 16 HB2 TYR 16 5.201 -5.550 0.507 114 HB3 TYR 16 HB1 TYR 16 4.351 -7.077 0.718 115 HD1 TYR 16 HD2 TYR 16 7.509 -5.819 -0.897 116 HD2 TYR 16 HD1 TYR 16 5.634 -8.874 1.458 117 HE1 TYR 16 HE2 TYR 16 9.684 -6.988 -0.685 118 HE2 TYR 16 HE1 TYR 16 7.808 -10.049 1.672 119 HH TYR 16 HH TYR 16 9.999 -10.125 0.255 120 H LEU 17 HN LEU 17 3.000 -8.461 -0.911 121 HA LEU 17 HA LEU 17 4.598 -10.609 -2.014 122 HB2 LEU 17 HB2 LEU 17 1.590 -10.516 -1.623 123 HB3 LEU 17 HB1 LEU 17 2.548 -11.952 -1.908 124 HG LEU 17 HG LEU 17 3.835 -11.403 0.208 125 HD11 LEU 17 HD11 LEU 17 3.429 -9.200 0.782 126 HD12 LEU 17 HD12 LEU 17 2.219 -9.980 1.787 127 HD13 LEU 17 HD13 LEU 17 1.753 -9.243 0.259 128 HD21 LEU 17 HD21 LEU 17 1.793 -12.111 1.676 129 HD22 LEU 17 HD22 LEU 17 2.301 -13.189 0.378 130 HD23 LEU 17 HD23 LEU 17 0.905 -12.140 0.153 131 H VAL 18 HN VAL 18 1.727 -8.868 -3.186 132 HA VAL 18 HA VAL 18 1.410 -10.081 -5.682 133 HB VAL 18 HB VAL 18 1.138 -7.123 -5.104 134 HG11 VAL 18 HG11 VAL 18 -0.459 -7.093 -6.866 135 HG12 VAL 18 HG12 VAL 18 -0.429 -8.844 -7.014 136 HG13 VAL 18 HG13 VAL 18 0.972 -7.892 -7.496 137 HG21 VAL 18 HG21 VAL 18 -1.160 -7.626 -4.447 138 HG22 VAL 18 HG22 VAL 18 -0.046 -8.545 -3.436 139 HG23 VAL 18 HG23 VAL 18 -0.895 -9.340 -4.761 140 H CYS 19 HN CYS 19 3.266 -7.092 -5.090 141 HA CYS 19 HA CYS 19 4.504 -7.208 -7.714 142 HB2 CYS 19 HB2 CYS 19 5.507 -5.559 -5.401 143 HB3 CYS 19 HB1 CYS 19 5.524 -5.176 -7.117 144 H GLY 20 HN GLY 20 5.267 -8.413 -4.563 145 HA2 GLY 20 HA2 GLY 20 7.127 -9.599 -3.755 146 HA3 GLY 20 HA1 GLY 20 7.252 -10.199 -5.405 147 H GLU 21 HN GLU 21 9.293 -9.925 -6.121 148 HA GLU 21 HA GLU 21 11.046 -7.874 -5.018 149 HB2 GLU 21 HB2 GLU 21 11.400 -9.856 -7.280 150 HB3 GLU 21 HB1 GLU 21 12.675 -8.789 -6.691 151 HG2 GLU 21 HG2 GLU 21 12.299 -9.764 -4.389 152 HG3 GLU 21 HG1 GLU 21 11.230 -10.950 -5.139 153 H ARG 22 HN ARG 22 8.801 -7.960 -7.605 154 HA ARG 22 HA ARG 22 10.074 -6.309 -9.517 155 HB2 ARG 22 HB2 ARG 22 7.140 -6.333 -8.747 156 HB3 ARG 22 HB1 ARG 22 7.807 -5.711 -10.255 157 HG2 ARG 22 HG2 ARG 22 8.380 -7.847 -11.043 158 HG3 ARG 22 HG1 ARG 22 8.366 -8.559 -9.431 159 HD2 ARG 22 HD2 ARG 22 6.081 -8.879 -9.451 160 HD3 ARG 22 HD1 ARG 22 5.779 -7.416 -10.382 161 HE ARG 22 HE ARG 22 7.042 -9.095 -12.188 162 HH11 ARG 22 HH21 ARG 22 4.331 -9.279 -10.066 163 HH12 ARG 22 HH22 ARG 22 3.444 -10.368 -11.079 164 HH21 ARG 22 HH11 ARG 22 5.898 -10.514 -13.524 165 HH22 ARG 22 HH12 ARG 22 4.330 -11.067 -13.037 166 H GLY 23 HN GLY 23 8.680 -5.532 -6.398 167 HA2 GLY 23 HA2 GLY 23 8.906 -3.529 -5.171 168 HA3 GLY 23 HA1 GLY 23 9.854 -2.864 -6.505 169 H PHE 24 HN PHE 24 7.703 -1.465 -5.115 170 HA PHE 24 HA PHE 24 6.115 -0.755 -7.476 171 HB2 PHE 24 HB2 PHE 24 3.963 -1.187 -6.470 172 HB3 PHE 24 HB1 PHE 24 4.907 -2.672 -6.418 173 HD1 PHE 24 HD1 PHE 24 5.823 -3.524 -4.317 174 HD2 PHE 24 HD2 PHE 24 3.498 0.087 -4.421 175 HE1 PHE 24 HE1 PHE 24 5.566 -3.617 -1.854 176 HE2 PHE 24 HE2 PHE 24 3.236 -0.018 -1.956 177 HZ PHE 24 HZ PHE 24 4.270 -1.865 -0.678 178 H PHE 25 HN PHE 25 4.523 1.016 -6.834 179 HA PHE 25 HA PHE 25 5.795 2.846 -4.827 180 HB2 PHE 25 HB2 PHE 25 4.897 4.687 -6.257 181 HB3 PHE 25 HB1 PHE 25 6.050 3.672 -7.125 182 HD1 PHE 25 HD1 PHE 25 2.413 4.303 -6.590 183 HD2 PHE 25 HD2 PHE 25 5.393 2.402 -9.035 184 HE1 PHE 25 HE1 PHE 25 0.676 3.770 -8.287 185 HE2 PHE 25 HE2 PHE 25 3.662 1.873 -10.730 186 HZ PHE 25 HZ PHE 25 1.307 2.555 -10.357 187 H TYR 26 HN TYR 26 4.419 3.807 -3.324 188 HA TYR 26 HA TYR 26 1.720 2.672 -3.127 189 HB2 TYR 26 HB2 TYR 26 3.359 3.289 -1.160 190 HB3 TYR 26 HB1 TYR 26 2.725 4.920 -1.373 191 HD1 TYR 26 HD1 TYR 26 1.526 1.371 -1.094 192 HD2 TYR 26 HD2 TYR 26 0.751 5.510 -0.224 193 HE1 TYR 26 HE1 TYR 26 -0.516 0.742 0.164 194 HE2 TYR 26 HE2 TYR 26 -1.281 4.866 1.037 195 HH TYR 26 HH TYR 26 -1.885 1.915 2.163 196 H THR 27 HN THR 27 -0.124 4.338 -2.694 197 HA THR 27 HA THR 27 -0.386 5.937 -5.051 198 HB THR 27 HB THR 27 -2.324 5.012 -3.874 199 HG1 THR 27 HG1 THR 27 -2.154 7.828 -4.010 200 HG21 THR 27 HG21 THR 27 -1.596 7.005 -1.704 201 HG22 THR 27 HG22 THR 27 -1.513 5.252 -1.579 202 HG23 THR 27 HG23 THR 27 -3.070 6.042 -1.750 203 H ASP 28 HN ASP 28 -1.106 8.366 -4.764 204 HA ASP 28 HA ASP 28 1.081 9.931 -4.344 205 HB2 ASP 28 HB2 ASP 28 -1.647 10.391 -4.829 206 HB3 ASP 28 HB1 ASP 28 -1.296 11.380 -3.417 207 HA PRO 29 HA PRO 29 1.754 10.034 0.090 208 HB2 PRO 29 HB2 PRO 29 3.186 12.392 0.293 209 HB3 PRO 29 HB1 PRO 29 3.873 10.883 -0.327 210 HG2 PRO 29 HG2 PRO 29 3.011 13.316 -1.832 211 HG3 PRO 29 HG1 PRO 29 4.265 12.136 -2.237 212 HD2 PRO 29 HD2 PRO 29 1.690 12.227 -3.382 213 HD3 PRO 29 HD1 PRO 29 2.813 10.849 -3.441 214 H THR 30 HN THR 30 -0.166 12.327 -1.534 215 HA THR 30 HA THR 30 -0.582 14.378 0.324 216 HB THR 30 HB THR 30 -2.719 14.745 -0.750 217 HG1 THR 30 HG1 THR 30 -2.372 12.112 -1.748 218 HG21 THR 30 HG21 THR 30 -0.654 15.183 -2.061 219 HG22 THR 30 HG22 THR 30 -2.006 14.722 -3.095 220 HG23 THR 30 HG23 THR 30 -0.745 13.549 -2.718 221 H GLY 31 HN GLY 31 -2.128 11.167 0.297 222 HA2 GLY 31 HA2 GLY 31 -3.187 10.032 2.069 223 HA3 GLY 31 HA1 GLY 31 -2.473 11.220 3.153 224 H GLY 32 HN GLY 32 -3.907 13.313 1.288 225 HA2 GLY 32 HA2 GLY 32 -6.434 13.288 2.863 226 HA3 GLY 32 HA1 GLY 32 -5.778 14.677 1.996 227 H GLY 33 HN GLY 33 -5.214 12.774 -0.305 228 HA2 GLY 33 HA2 GLY 33 -7.722 11.776 -1.282 229 HA3 GLY 33 HA1 GLY 33 -7.390 13.367 -1.973 230 HA PRO 34 HA PRO 34 -3.573 10.842 -3.367 231 HB2 PRO 34 HB2 PRO 34 -3.446 8.210 -2.470 232 HB3 PRO 34 HB1 PRO 34 -2.617 9.561 -1.701 233 HG2 PRO 34 HG2 PRO 34 -5.092 8.129 -0.858 234 HG3 PRO 34 HG1 PRO 34 -3.888 8.965 0.138 235 HD2 PRO 34 HD2 PRO 34 -6.401 10.007 -0.503 236 HD3 PRO 34 HD1 PRO 34 -4.994 10.973 -0.007 237 H ARG 35 HN ARG 35 -3.299 8.559 -4.684 238 HA ARG 35 HA ARG 35 -5.334 8.497 -6.654 239 HB2 ARG 35 HB2 ARG 35 -2.904 7.500 -6.676 240 HB3 ARG 35 HB1 ARG 35 -3.664 6.054 -6.016 241 HG2 ARG 35 HG2 ARG 35 -5.255 6.061 -7.942 242 HG3 ARG 35 HG1 ARG 35 -4.368 7.423 -8.628 243 HD2 ARG 35 HD2 ARG 35 -2.288 6.024 -8.578 244 HD3 ARG 35 HD1 ARG 35 -3.268 4.653 -8.055 245 HE ARG 35 HE ARG 35 -4.528 5.526 -10.364 246 HH11 ARG 35 HH21 ARG 35 -1.328 4.636 -9.441 247 HH12 ARG 35 HH22 ARG 35 -0.901 4.031 -11.007 248 HH21 ARG 35 HH11 ARG 35 -3.989 4.744 -12.416 249 HH22 ARG 35 HH12 ARG 35 -2.408 4.092 -12.692 250 H ARG 36 HN ARG 36 -7.350 8.372 -5.467 251 HA ARG 36 HA ARG 36 -7.994 6.327 -3.603 252 HB2 ARG 36 HB2 ARG 36 -10.410 6.772 -4.546 253 HB3 ARG 36 HB1 ARG 36 -9.569 8.064 -3.689 254 HG2 ARG 36 HG2 ARG 36 -9.002 9.192 -5.680 255 HG3 ARG 36 HG1 ARG 36 -9.294 7.766 -6.675 256 HD2 ARG 36 HD2 ARG 36 -11.099 9.551 -6.799 257 HD3 ARG 36 HD1 ARG 36 -11.671 7.938 -6.375 258 HE ARG 36 HE ARG 36 -11.182 9.135 -3.922 259 HH11 ARG 36 HH21 ARG 36 -12.969 9.892 -6.771 260 HH12 ARG 36 HH22 ARG 36 -14.185 10.795 -5.930 261 HH21 ARG 36 HH11 ARG 36 -12.760 10.310 -2.806 262 HH22 ARG 36 HH12 ARG 36 -14.067 11.031 -3.686 263 H GLY 37 HN GLY 37 -7.065 5.990 -6.758 264 HA2 GLY 37 HA2 GLY 37 -8.880 3.933 -7.650 265 HA3 GLY 37 HA1 GLY 37 -7.303 4.287 -8.352 266 H ILE 38 HN ILE 38 -6.017 3.943 -5.606 267 HA ILE 38 HA ILE 38 -5.946 0.966 -5.714 268 HB ILE 38 HB ILE 38 -3.872 2.738 -5.848 269 HG12 ILE 38 HG12 ILE 38 -3.436 0.530 -6.471 270 HG13 ILE 38 HG11 ILE 38 -2.405 0.738 -5.075 271 HG21 ILE 38 HG21 ILE 38 -3.927 1.853 -2.947 272 HG22 ILE 38 HG22 ILE 38 -4.073 3.504 -3.540 273 HG23 ILE 38 HG23 ILE 38 -2.572 2.622 -3.763 274 HD11 ILE 38 HD11 ILE 38 -4.633 -0.209 -3.847 275 HD12 ILE 38 HD12 ILE 38 -3.362 -1.247 -4.463 276 HD13 ILE 38 HD13 ILE 38 -4.811 -0.984 -5.421 277 H VAL 39 HN VAL 39 -5.796 3.523 -3.190 278 HA VAL 39 HA VAL 39 -6.228 1.727 -1.037 279 HB VAL 39 HB VAL 39 -7.158 4.598 -0.989 280 HG11 VAL 39 HG11 VAL 39 -5.778 2.839 1.062 281 HG12 VAL 39 HG12 VAL 39 -7.516 3.133 0.998 282 HG13 VAL 39 HG13 VAL 39 -6.408 4.464 1.333 283 HG21 VAL 39 HG21 VAL 39 -5.050 4.887 -1.978 284 HG22 VAL 39 HG22 VAL 39 -4.351 3.490 -1.157 285 HG23 VAL 39 HG23 VAL 39 -4.664 4.978 -0.262 286 H GLU 40 HN GLU 40 -8.682 4.043 -2.299 287 HA GLU 40 HA GLU 40 -10.844 2.898 -0.895 288 HB2 GLU 40 HB2 GLU 40 -10.976 4.172 -3.639 289 HB3 GLU 40 HB1 GLU 40 -12.303 4.015 -2.489 290 HG2 GLU 40 HG2 GLU 40 -10.841 5.332 -0.848 291 HG3 GLU 40 HG1 GLU 40 -9.815 5.711 -2.232 292 H GLN 41 HN GLN 41 -9.703 2.124 -4.196 293 HA GLN 41 HA GLN 41 -11.651 0.287 -4.954 294 HB2 GLN 41 HB2 GLN 41 -9.626 0.989 -6.293 295 HB3 GLN 41 HB1 GLN 41 -8.684 -0.186 -5.375 296 HG2 GLN 41 HG2 GLN 41 -9.392 -1.287 -7.393 297 HG3 GLN 41 HG1 GLN 41 -10.391 -1.931 -6.092 298 HE21 GLN 41 HE21 GLN 41 -12.306 -2.358 -7.217 299 HE22 GLN 41 HE22 GLN 41 -13.199 -1.172 -8.025 300 H CYS 42 HN CYS 42 -8.649 -0.571 -3.194 301 HA CYS 42 HA CYS 42 -9.761 -3.214 -2.571 302 HB2 CYS 42 HB2 CYS 42 -7.175 -1.941 -1.646 303 HB3 CYS 42 HB1 CYS 42 -7.608 -3.648 -1.555 304 H CYS 43 HN CYS 43 -9.375 -0.139 -0.895 305 HA CYS 43 HA CYS 43 -9.953 -1.344 1.728 306 HB2 CYS 43 HB2 CYS 43 -8.499 0.675 1.587 307 HB3 CYS 43 HB1 CYS 43 -9.862 1.586 0.932 308 H HIS 44 HN HIS 44 -11.626 0.931 -0.469 309 HA HIS 44 HA HIS 44 -14.091 0.826 1.034 310 HB2 HIS 44 HB2 HIS 44 -13.315 2.632 -0.648 311 HB3 HIS 44 HB1 HIS 44 -13.888 1.534 -1.899 312 HD2 HIS 44 HD2 HIS 44 -15.342 4.444 -0.318 313 HE1 HIS 44 HE1 HIS 44 -18.598 1.755 -0.344 314 HE2 HIS 44 HE2 HIS 44 -17.918 4.188 -0.054 315 H SER 45 HN SER 45 -12.680 -1.098 -1.527 316 HA SER 45 HA SER 45 -15.035 -2.941 -1.369 317 HB2 SER 45 HB2 SER 45 -13.657 -2.418 -4.001 318 HB3 SER 45 HB1 SER 45 -15.237 -3.136 -3.704 319 HG SER 45 HG SER 45 -14.990 -0.624 -2.667 320 H ILE 46 HN ILE 46 -14.471 -5.158 -2.042 321 HA ILE 46 HA ILE 46 -11.768 -5.866 -1.153 322 HB ILE 46 HB ILE 46 -13.785 -7.808 -2.293 323 HG12 ILE 46 HG12 ILE 46 -15.020 -6.314 -0.709 324 HG13 ILE 46 HG11 ILE 46 -14.895 -7.970 -0.132 325 HG21 ILE 46 HG21 ILE 46 -11.631 -8.721 -1.675 326 HG22 ILE 46 HG22 ILE 46 -12.833 -9.240 -0.496 327 HG23 ILE 46 HG23 ILE 46 -11.708 -7.946 -0.091 328 HD11 ILE 46 HD11 ILE 46 -13.075 -5.701 0.724 329 HD12 ILE 46 HD12 ILE 46 -13.028 -7.353 1.338 330 HD13 ILE 46 HD13 ILE 46 -14.422 -6.330 1.665 331 H CYS 47 HN CYS 47 -10.275 -5.314 -2.758 332 HA CYS 47 HA CYS 47 -10.840 -6.074 -5.569 333 HB2 CYS 47 HB2 CYS 47 -8.989 -4.736 -6.167 334 HB3 CYS 47 HB1 CYS 47 -9.702 -3.868 -4.811 335 H SER 48 HN SER 48 -9.488 -7.548 -6.729 336 HA SER 48 HA SER 48 -8.353 -9.673 -5.026 337 HB2 SER 48 HB2 SER 48 -8.158 -9.826 -8.007 338 HB3 SER 48 HB1 SER 48 -8.612 -11.069 -6.847 339 HG SER 48 HG SER 48 -10.442 -10.445 -7.949 340 H LEU 49 HN LEU 49 -6.175 -10.587 -5.736 341 HA LEU 49 HA LEU 49 -4.134 -8.648 -5.462 342 HB2 LEU 49 HB2 LEU 49 -3.816 -11.335 -6.822 343 HB3 LEU 49 HB1 LEU 49 -2.575 -10.419 -5.973 344 HG LEU 49 HG LEU 49 -4.960 -11.862 -4.797 345 HD11 LEU 49 HD11 LEU 49 -3.245 -12.947 -3.431 346 HD12 LEU 49 HD12 LEU 49 -2.001 -11.905 -4.122 347 HD13 LEU 49 HD13 LEU 49 -2.812 -13.101 -5.134 348 HD21 LEU 49 HD21 LEU 49 -4.997 -9.790 -3.610 349 HD22 LEU 49 HD22 LEU 49 -3.238 -9.703 -3.590 350 HD23 LEU 49 HD23 LEU 49 -4.071 -10.894 -2.593 351 H TYR 50 HN TYR 50 -5.660 -10.046 -8.274 352 HA TYR 50 HA TYR 50 -4.060 -9.358 -10.385 353 HB2 TYR 50 HB2 TYR 50 -6.489 -10.343 -10.213 354 HB3 TYR 50 HB1 TYR 50 -6.997 -8.669 -10.440 355 HD1 TYR 50 HD2 TYR 50 -5.092 -11.450 -11.845 356 HD2 TYR 50 HD1 TYR 50 -6.760 -7.583 -12.543 357 HE1 TYR 50 HE2 TYR 50 -4.659 -11.721 -14.286 358 HE2 TYR 50 HE1 TYR 50 -6.338 -7.822 -14.984 359 HH TYR 50 HH TYR 50 -5.909 -9.439 -16.624 360 H GLN 51 HN GLN 51 -6.531 -7.239 -8.984 361 HA GLN 51 HA GLN 51 -5.798 -4.904 -10.450 362 HB2 GLN 51 HB2 GLN 51 -6.904 -4.821 -7.636 363 HB3 GLN 51 HB1 GLN 51 -7.198 -3.711 -8.971 364 HG2 GLN 51 HG2 GLN 51 -8.240 -5.687 -10.220 365 HG3 GLN 51 HG1 GLN 51 -8.215 -6.538 -8.680 366 HE21 GLN 51 HE21 GLN 51 -9.148 -3.252 -9.819 367 HE22 GLN 51 HE22 GLN 51 -10.607 -3.205 -8.956 368 H LEU 52 HN LEU 52 -4.739 -6.108 -7.281 369 HA LEU 52 HA LEU 52 -3.061 -3.887 -6.680 370 HB2 LEU 52 HB2 LEU 52 -2.804 -6.787 -5.880 371 HB3 LEU 52 HB1 LEU 52 -1.883 -5.469 -5.163 372 HG LEU 52 HG LEU 52 -4.906 -5.742 -5.134 373 HD11 LEU 52 HD11 LEU 52 -2.880 -5.858 -2.890 374 HD12 LEU 52 HD12 LEU 52 -3.624 -7.268 -3.649 375 HD13 LEU 52 HD13 LEU 52 -4.620 -6.114 -2.764 376 HD21 LEU 52 HD21 LEU 52 -4.666 -3.436 -5.042 377 HD22 LEU 52 HD22 LEU 52 -3.035 -3.530 -4.395 378 HD23 LEU 52 HD23 LEU 52 -4.419 -3.799 -3.334 379 H GLU 53 HN GLU 53 -2.677 -6.723 -8.646 380 HA GLU 53 HA GLU 53 0.154 -6.431 -9.072 381 HB2 GLU 53 HB2 GLU 53 -1.831 -8.328 -9.701 382 HB3 GLU 53 HB1 GLU 53 -1.322 -7.727 -11.277 383 HG2 GLU 53 HG2 GLU 53 1.120 -8.122 -10.245 384 HG3 GLU 53 HG1 GLU 53 0.247 -9.250 -9.209 385 H ASN 54 HN ASN 54 -2.498 -4.643 -9.989 386 HA ASN 54 HA ASN 54 -1.623 -3.790 -12.622 387 HB2 ASN 54 HB2 ASN 54 -4.010 -3.728 -11.535 388 HB3 ASN 54 HB1 ASN 54 -3.476 -2.198 -10.839 389 HD21 ASN 54 HD21 ASN 54 -5.588 -2.457 -12.831 390 HD22 ASN 54 HD22 ASN 54 -5.070 -1.641 -14.224 391 H TYR 55 HN TYR 55 -1.058 -2.755 -9.322 392 HA TYR 55 HA TYR 55 0.366 -0.308 -10.279 393 HB2 TYR 55 HB2 TYR 55 -0.146 -1.087 -7.407 394 HB3 TYR 55 HB1 TYR 55 0.167 0.513 -8.067 395 HD1 TYR 55 HD2 TYR 55 -2.282 -2.211 -7.856 396 HD2 TYR 55 HD1 TYR 55 -1.576 1.822 -9.063 397 HE1 TYR 55 HE2 TYR 55 -4.738 -1.893 -8.169 398 HE2 TYR 55 HE1 TYR 55 -4.015 2.160 -9.388 399 HH TYR 55 HH TYR 55 -6.297 0.414 -8.116 400 H CYS 56 HN CYS 56 1.156 -3.444 -9.918 401 HA CYS 56 HA CYS 56 3.563 -3.150 -8.273 402 HB2 CYS 56 HB2 CYS 56 2.511 -5.374 -10.033 403 HB3 CYS 56 HB1 CYS 56 4.060 -5.468 -9.206 404 H ASN 57 HN ASN 57 5.225 -1.961 -9.097 405 HA ASN 57 HA ASN 57 6.742 -1.076 -10.662 406 HB2 ASN 57 HB2 ASN 57 7.576 -3.384 -10.549 407 HB3 ASN 57 HB1 ASN 57 6.406 -3.878 -11.772 408 HD21 ASN 57 HD21 ASN 57 8.146 -0.784 -11.872 409 HD22 ASN 57 HD22 ASN 57 9.061 -1.147 -13.255 Start of MODEL 2 1 H1 PHE 1 HT1 PHE 1 -6.609 -12.860 2.761 2 H2 PHE 1 HT2 PHE 1 -5.464 -11.926 3.598 3 H3 PHE 1 HT3 PHE 1 -4.976 -13.316 2.753 4 HA PHE 1 HA PHE 1 -5.667 -10.664 1.746 5 HB2 PHE 1 HB2 PHE 1 -3.334 -11.721 2.027 6 HB3 PHE 1 HB1 PHE 1 -3.741 -12.742 0.659 7 HD1 PHE 1 HD2 PHE 1 -5.426 -9.897 -0.277 8 HD2 PHE 1 HD1 PHE 1 -1.415 -11.218 0.449 9 HE1 PHE 1 HE2 PHE 1 -4.580 -8.158 -1.757 10 HE2 PHE 1 HE1 PHE 1 -0.567 -9.459 -1.042 11 HZ PHE 1 HZ PHE 1 -2.140 -7.921 -2.150 12 H VAL 2 HN VAL 2 -7.659 -12.861 1.685 13 HA VAL 2 HA VAL 2 -7.756 -13.587 -1.205 14 HB VAL 2 HB VAL 2 -9.792 -14.969 -0.217 15 HG11 VAL 2 HG11 VAL 2 -6.864 -15.553 0.273 16 HG12 VAL 2 HG12 VAL 2 -7.852 -16.082 -1.089 17 HG13 VAL 2 HG13 VAL 2 -8.142 -16.744 0.520 18 HG21 VAL 2 HG21 VAL 2 -8.108 -14.748 2.280 19 HG22 VAL 2 HG22 VAL 2 -9.748 -15.371 2.104 20 HG23 VAL 2 HG23 VAL 2 -9.451 -13.637 2.013 21 H ASN 3 HN ASN 3 -10.627 -13.334 0.754 22 HA ASN 3 HA ASN 3 -11.710 -11.297 -1.132 23 HB2 ASN 3 HB2 ASN 3 -13.240 -12.955 0.886 24 HB3 ASN 3 HB1 ASN 3 -13.894 -12.056 -0.481 25 HD21 ASN 3 HD21 ASN 3 -14.260 -13.289 -2.314 26 HD22 ASN 3 HD22 ASN 3 -13.486 -14.756 -2.678 27 H GLN 4 HN GLN 4 -9.934 -10.740 1.223 28 HA GLN 4 HA GLN 4 -11.772 -9.232 3.007 29 HB2 GLN 4 HB2 GLN 4 -9.367 -8.741 4.092 30 HB3 GLN 4 HB1 GLN 4 -10.226 -10.247 4.387 31 HG2 GLN 4 HG2 GLN 4 -8.967 -11.358 2.596 32 HG3 GLN 4 HG1 GLN 4 -8.134 -9.846 2.229 33 HE21 GLN 4 HE21 GLN 4 -7.887 -12.708 4.007 34 HE22 GLN 4 HE22 GLN 4 -6.697 -12.219 5.111 35 H HIS 5 HN HIS 5 -11.239 -6.970 3.493 36 HA HIS 5 HA HIS 5 -10.471 -5.514 1.021 37 HB2 HIS 5 HB2 HIS 5 -11.353 -3.536 2.524 38 HB3 HIS 5 HB1 HIS 5 -12.502 -4.663 1.812 39 HD2 HIS 5 HD2 HIS 5 -11.407 -3.468 5.306 40 HE1 HIS 5 HE1 HIS 5 -13.805 -6.893 5.908 41 HE2 HIS 5 HE2 HIS 5 -12.668 -4.927 7.050 42 H LEU 6 HN LEU 6 -8.683 -4.237 0.903 43 HA LEU 6 HA LEU 6 -6.799 -4.242 3.212 44 HB2 LEU 6 HB2 LEU 6 -6.557 -3.908 0.240 45 HB3 LEU 6 HB1 LEU 6 -5.356 -3.145 1.247 46 HG LEU 6 HG LEU 6 -4.425 -5.155 1.938 47 HD11 LEU 6 HD11 LEU 6 -6.088 -6.364 3.015 48 HD12 LEU 6 HD12 LEU 6 -5.781 -7.379 1.615 49 HD13 LEU 6 HD13 LEU 6 -7.174 -6.304 1.629 50 HD21 LEU 6 HD21 LEU 6 -4.437 -6.721 -0.003 51 HD22 LEU 6 HD22 LEU 6 -4.111 -5.063 -0.464 52 HD23 LEU 6 HD23 LEU 6 -5.704 -5.773 -0.741 53 H CYS 7 HN CYS 7 -6.291 -2.350 4.261 54 HA CYS 7 HA CYS 7 -6.931 0.243 3.010 55 HB2 CYS 7 HB2 CYS 7 -8.900 -0.849 4.497 56 HB3 CYS 7 HB1 CYS 7 -7.991 -0.072 5.790 57 H GLY 8 HN GLY 8 -5.250 1.563 3.430 58 HA2 GLY 8 HA2 GLY 8 -3.467 2.577 4.593 59 HA3 GLY 8 HA1 GLY 8 -4.039 1.773 6.054 60 H SER 9 HN SER 9 -1.972 1.083 6.716 61 HA SER 9 HA SER 9 0.085 -0.064 5.248 62 HB2 SER 9 HB2 SER 9 -0.840 -1.136 7.924 63 HB3 SER 9 HB1 SER 9 0.795 -1.166 7.269 64 HG SER 9 HG SER 9 0.699 0.574 8.617 65 H ASP 10 HN ASP 10 -2.970 -1.592 6.175 66 HA ASP 10 HA ASP 10 -2.402 -4.291 5.719 67 HB2 ASP 10 HB2 ASP 10 -4.822 -2.581 5.224 68 HB3 ASP 10 HB1 ASP 10 -4.844 -4.250 4.670 69 H LEU 11 HN LEU 11 -3.323 -1.851 3.282 70 HA LEU 11 HA LEU 11 -3.117 -3.517 1.011 71 HB2 LEU 11 HB2 LEU 11 -4.086 -1.288 0.813 72 HB3 LEU 11 HB1 LEU 11 -2.577 -0.546 1.325 73 HG LEU 11 HG LEU 11 -1.465 -1.263 -0.705 74 HD11 LEU 11 HD11 LEU 11 -2.378 -3.414 -1.117 75 HD12 LEU 11 HD12 LEU 11 -2.868 -2.409 -2.467 76 HD13 LEU 11 HD13 LEU 11 -4.021 -2.778 -1.192 77 HD21 LEU 11 HD21 LEU 11 -2.784 -0.076 -2.401 78 HD22 LEU 11 HD22 LEU 11 -2.840 0.793 -0.867 79 HD23 LEU 11 HD23 LEU 11 -4.216 -0.186 -1.378 80 H VAL 12 HN VAL 12 -0.621 -1.378 2.431 81 HA VAL 12 HA VAL 12 1.492 -1.923 0.696 82 HB VAL 12 HB VAL 12 1.797 -1.773 3.706 83 HG11 VAL 12 HG11 VAL 12 3.782 -2.313 2.135 84 HG12 VAL 12 HG12 VAL 12 3.981 -0.971 3.258 85 HG13 VAL 12 HG13 VAL 12 3.611 -0.654 1.564 86 HG21 VAL 12 HG21 VAL 12 1.912 0.683 3.373 87 HG22 VAL 12 HG22 VAL 12 0.331 0.046 2.925 88 HG23 VAL 12 HG23 VAL 12 1.501 0.459 1.675 89 H GLU 13 HN GLU 13 1.123 -3.642 3.822 90 HA GLU 13 HA GLU 13 2.957 -5.689 3.361 91 HB2 GLU 13 HB2 GLU 13 0.257 -6.116 4.668 92 HB3 GLU 13 HB1 GLU 13 1.746 -7.009 4.978 93 HG2 GLU 13 HG2 GLU 13 2.789 -4.825 5.722 94 HG3 GLU 13 HG1 GLU 13 1.181 -4.106 5.628 95 H ALA 14 HN ALA 14 -0.228 -5.281 1.968 96 HA ALA 14 HA ALA 14 -0.311 -7.998 0.892 97 HB1 ALA 14 HB1 ALA 14 -2.135 -6.314 -0.524 98 HB2 ALA 14 HB2 ALA 14 -2.132 -5.775 1.149 99 HB3 ALA 14 HB3 ALA 14 -2.496 -7.455 0.774 100 H LEU 15 HN LEU 15 0.081 -4.738 -0.635 101 HA LEU 15 HA LEU 15 0.641 -5.679 -3.213 102 HB2 LEU 15 HB2 LEU 15 1.751 -3.303 -1.726 103 HB3 LEU 15 HB1 LEU 15 2.213 -3.646 -3.389 104 HG LEU 15 HG LEU 15 -0.717 -3.529 -2.682 105 HD11 LEU 15 HD11 LEU 15 -0.809 -1.165 -2.983 106 HD12 LEU 15 HD12 LEU 15 0.860 -1.089 -3.541 107 HD13 LEU 15 HD13 LEU 15 0.513 -1.413 -1.847 108 HD21 LEU 15 HD21 LEU 15 -0.931 -2.869 -5.010 109 HD22 LEU 15 HD22 LEU 15 0.092 -4.299 -4.940 110 HD23 LEU 15 HD23 LEU 15 0.814 -2.712 -5.168 111 H TYR 16 HN TYR 16 2.734 -5.535 -0.374 112 HA TYR 16 HA TYR 16 5.231 -6.021 -1.510 113 HB2 TYR 16 HB2 TYR 16 4.957 -5.670 0.875 114 HB3 TYR 16 HB1 TYR 16 4.086 -7.192 1.031 115 HD1 TYR 16 HD2 TYR 16 7.310 -5.935 -0.447 116 HD2 TYR 16 HD1 TYR 16 5.325 -9.016 1.782 117 HE1 TYR 16 HE2 TYR 16 9.466 -7.131 -0.182 118 HE2 TYR 16 HE1 TYR 16 7.479 -10.217 2.049 119 HH TYR 16 HH TYR 16 9.683 -10.120 1.739 120 H LEU 17 HN LEU 17 2.818 -8.560 -0.646 121 HA LEU 17 HA LEU 17 4.442 -10.692 -1.734 122 HB2 LEU 17 HB2 LEU 17 1.420 -10.596 -1.456 123 HB3 LEU 17 HB1 LEU 17 2.387 -12.030 -1.725 124 HG LEU 17 HG LEU 17 3.590 -11.509 0.453 125 HD11 LEU 17 HD11 LEU 17 3.136 -9.309 1.028 126 HD12 LEU 17 HD12 LEU 17 1.915 -10.124 1.990 127 HD13 LEU 17 HD13 LEU 17 1.475 -9.375 0.460 128 HD21 LEU 17 HD21 LEU 17 1.515 -12.268 1.824 129 HD22 LEU 17 HD22 LEU 17 2.043 -13.304 0.498 130 HD23 LEU 17 HD23 LEU 17 0.659 -12.236 0.283 131 H VAL 18 HN VAL 18 1.629 -8.918 -2.980 132 HA VAL 18 HA VAL 18 1.389 -10.095 -5.500 133 HB VAL 18 HB VAL 18 1.092 -7.155 -4.859 134 HG11 VAL 18 HG11 VAL 18 1.043 -7.583 -7.214 135 HG12 VAL 18 HG12 VAL 18 -0.591 -7.244 -6.668 136 HG13 VAL 18 HG13 VAL 18 -0.097 -8.903 -7.002 137 HG21 VAL 18 HG21 VAL 18 -1.244 -7.683 -4.382 138 HG22 VAL 18 HG22 VAL 18 -0.192 -8.617 -3.320 139 HG23 VAL 18 HG23 VAL 18 -0.942 -9.385 -4.717 140 H CYS 19 HN CYS 19 3.215 -7.104 -4.823 141 HA CYS 19 HA CYS 19 4.523 -7.187 -7.416 142 HB2 CYS 19 HB2 CYS 19 5.308 -5.548 -5.004 143 HB3 CYS 19 HB1 CYS 19 5.626 -5.187 -6.696 144 H GLY 20 HN GLY 20 5.213 -8.425 -4.255 145 HA2 GLY 20 HA2 GLY 20 7.071 -9.578 -3.403 146 HA3 GLY 20 HA1 GLY 20 7.223 -10.187 -5.048 147 H GLU 21 HN GLU 21 9.316 -9.966 -5.629 148 HA GLU 21 HA GLU 21 11.057 -7.922 -4.547 149 HB2 GLU 21 HB2 GLU 21 11.391 -9.869 -6.842 150 HB3 GLU 21 HB1 GLU 21 12.677 -8.819 -6.247 151 HG2 GLU 21 HG2 GLU 21 12.467 -9.828 -4.006 152 HG3 GLU 21 HG1 GLU 21 11.176 -10.873 -4.597 153 H ARG 22 HN ARG 22 8.869 -7.980 -7.208 154 HA ARG 22 HA ARG 22 10.146 -6.278 -9.059 155 HB2 ARG 22 HB2 ARG 22 7.213 -6.193 -8.293 156 HB3 ARG 22 HB1 ARG 22 7.916 -5.621 -9.804 157 HG2 ARG 22 HG2 ARG 22 8.655 -7.921 -10.327 158 HG3 ARG 22 HG1 ARG 22 7.930 -8.490 -8.823 159 HD2 ARG 22 HD2 ARG 22 6.256 -8.923 -10.431 160 HD3 ARG 22 HD1 ARG 22 5.744 -7.398 -9.708 161 HE ARG 22 HE ARG 22 7.313 -6.621 -11.859 162 HH11 ARG 22 HH21 ARG 22 4.608 -8.699 -11.352 163 HH12 ARG 22 HH22 ARG 22 3.940 -8.434 -12.928 164 HH21 ARG 22 HH11 ARG 22 6.454 -6.263 -13.920 165 HH22 ARG 22 HH12 ARG 22 4.985 -7.056 -14.381 166 H GLY 23 HN GLY 23 8.711 -5.559 -5.945 167 HA2 GLY 23 HA2 GLY 23 8.945 -3.599 -4.654 168 HA3 GLY 23 HA1 GLY 23 9.936 -2.911 -5.946 169 H PHE 24 HN PHE 24 7.750 -1.512 -4.599 170 HA PHE 24 HA PHE 24 6.233 -0.778 -7.002 171 HB2 PHE 24 HB2 PHE 24 4.051 -1.194 -6.053 172 HB3 PHE 24 HB1 PHE 24 4.979 -2.688 -5.998 173 HD1 PHE 24 HD1 PHE 24 5.839 -3.575 -3.889 174 HD2 PHE 24 HD2 PHE 24 3.539 0.055 -3.994 175 HE1 PHE 24 HE1 PHE 24 5.519 -3.704 -1.434 176 HE2 PHE 24 HE2 PHE 24 3.213 -0.088 -1.537 177 HZ PHE 24 HZ PHE 24 4.204 -1.960 -0.264 178 H PHE 25 HN PHE 25 4.639 0.989 -6.410 179 HA PHE 25 HA PHE 25 5.855 2.814 -4.368 180 HB2 PHE 25 HB2 PHE 25 4.928 4.643 -5.849 181 HB3 PHE 25 HB1 PHE 25 6.207 3.689 -6.602 182 HD1 PHE 25 HD1 PHE 25 2.570 4.363 -6.537 183 HD2 PHE 25 HD2 PHE 25 5.728 2.131 -8.412 184 HE1 PHE 25 HE1 PHE 25 1.024 3.726 -8.378 185 HE2 PHE 25 HE2 PHE 25 4.188 1.499 -10.251 186 HZ PHE 25 HZ PHE 25 1.840 2.296 -10.233 187 H TYR 26 HN TYR 26 4.485 3.382 -2.725 188 HA TYR 26 HA TYR 26 1.757 2.433 -2.710 189 HB2 TYR 26 HB2 TYR 26 3.284 3.021 -0.661 190 HB3 TYR 26 HB1 TYR 26 2.727 4.675 -0.922 191 HD1 TYR 26 HD1 TYR 26 1.352 1.186 -0.736 192 HD2 TYR 26 HD2 TYR 26 0.734 5.345 0.158 193 HE1 TYR 26 HE1 TYR 26 -0.779 0.646 0.410 194 HE2 TYR 26 HE2 TYR 26 -1.384 4.787 1.309 195 HH TYR 26 HH TYR 26 -2.466 2.916 2.357 196 H THR 27 HN THR 27 -0.076 4.192 -2.329 197 HA THR 27 HA THR 27 -0.197 5.709 -4.740 198 HB THR 27 HB THR 27 -2.207 4.969 -3.547 199 HG1 THR 27 HG1 THR 27 -1.829 7.173 -4.726 200 HG21 THR 27 HG21 THR 27 -2.933 6.276 -1.524 201 HG22 THR 27 HG22 THR 27 -1.312 6.963 -1.446 202 HG23 THR 27 HG23 THR 27 -1.547 5.231 -1.249 203 H ASP 28 HN ASP 28 -0.688 8.216 -4.587 204 HA ASP 28 HA ASP 28 1.641 9.563 -4.183 205 HB2 ASP 28 HB2 ASP 28 -1.019 10.288 -4.743 206 HB3 ASP 28 HB1 ASP 28 -0.564 11.318 -3.388 207 HA PRO 29 HA PRO 29 2.253 9.835 0.248 208 HB2 PRO 29 HB2 PRO 29 3.888 12.068 0.362 209 HB3 PRO 29 HB1 PRO 29 4.448 10.471 -0.154 210 HG2 PRO 29 HG2 PRO 29 3.855 12.881 -1.813 211 HG3 PRO 29 HG1 PRO 29 4.992 11.561 -2.123 212 HD2 PRO 29 HD2 PRO 29 2.458 11.844 -3.329 213 HD3 PRO 29 HD1 PRO 29 3.441 10.363 -3.294 214 H THR 30 HN THR 30 0.601 12.215 -1.537 215 HA THR 30 HA THR 30 0.313 14.375 0.220 216 HB THR 30 HB THR 30 -1.745 14.884 -0.949 217 HG1 THR 30 HG1 THR 30 -1.736 12.136 -1.265 218 HG21 THR 30 HG21 THR 30 -0.956 14.692 -3.268 219 HG22 THR 30 HG22 THR 30 0.198 13.450 -2.784 220 HG23 THR 30 HG23 THR 30 0.384 15.103 -2.198 221 H GLY 31 HN GLY 31 -1.516 11.315 0.260 222 HA2 GLY 31 HA2 GLY 31 -2.739 10.361 2.034 223 HA3 GLY 31 HA1 GLY 31 -1.970 11.535 3.094 224 H GLY 32 HN GLY 32 -3.138 13.644 1.064 225 HA2 GLY 32 HA2 GLY 32 -5.712 13.925 2.531 226 HA3 GLY 32 HA1 GLY 32 -4.907 15.200 1.614 227 H GLY 33 HN GLY 33 -4.425 13.207 -0.583 228 HA2 GLY 33 HA2 GLY 33 -6.970 12.321 -1.593 229 HA3 GLY 33 HA1 GLY 33 -6.502 13.851 -2.344 230 HA PRO 34 HA PRO 34 -2.862 11.000 -3.497 231 HB2 PRO 34 HB2 PRO 34 -2.821 8.458 -2.416 232 HB3 PRO 34 HB1 PRO 34 -2.046 9.848 -1.663 233 HG2 PRO 34 HG2 PRO 34 -4.619 8.500 -0.960 234 HG3 PRO 34 HG1 PRO 34 -3.447 9.301 0.103 235 HD2 PRO 34 HD2 PRO 34 -5.850 10.452 -0.725 236 HD3 PRO 34 HD1 PRO 34 -4.426 11.362 -0.175 237 H ARG 35 HN ARG 35 -2.668 8.626 -4.674 238 HA ARG 35 HA ARG 35 -4.781 8.517 -6.598 239 HB2 ARG 35 HB2 ARG 35 -2.325 7.581 -6.709 240 HB3 ARG 35 HB1 ARG 35 -3.018 6.135 -5.985 241 HG2 ARG 35 HG2 ARG 35 -4.703 6.082 -7.831 242 HG3 ARG 35 HG1 ARG 35 -3.848 7.416 -8.601 243 HD2 ARG 35 HD2 ARG 35 -1.743 5.825 -8.285 244 HD3 ARG 35 HD1 ARG 35 -2.967 4.557 -8.231 245 HE ARG 35 HE ARG 35 -1.995 5.821 -10.583 246 HH11 ARG 35 HH21 ARG 35 -5.015 5.030 -9.102 247 HH12 ARG 35 HH22 ARG 35 -5.915 5.190 -10.568 248 HH21 ARG 35 HH11 ARG 35 -3.158 6.006 -12.493 249 HH22 ARG 35 HH12 ARG 35 -4.868 5.733 -12.485 250 H ARG 36 HN ARG 36 -6.707 8.396 -5.258 251 HA ARG 36 HA ARG 36 -7.176 6.377 -3.318 252 HB2 ARG 36 HB2 ARG 36 -9.657 6.772 -4.074 253 HB3 ARG 36 HB1 ARG 36 -8.771 8.098 -3.322 254 HG2 ARG 36 HG2 ARG 36 -8.389 9.183 -5.378 255 HG3 ARG 36 HG1 ARG 36 -8.726 7.726 -6.312 256 HD2 ARG 36 HD2 ARG 36 -11.083 7.856 -5.796 257 HD3 ARG 36 HD1 ARG 36 -10.808 9.161 -4.641 258 HE ARG 36 HE ARG 36 -9.821 10.168 -7.027 259 HH11 ARG 36 HH21 ARG 36 -12.761 8.737 -5.934 260 HH12 ARG 36 HH22 ARG 36 -13.758 9.618 -7.044 261 HH21 ARG 36 HH11 ARG 36 -11.107 11.328 -8.483 262 HH22 ARG 36 HH12 ARG 36 -12.821 11.084 -8.486 263 H GLY 37 HN GLY 37 -7.238 6.353 -6.795 264 HA2 GLY 37 HA2 GLY 37 -8.772 4.191 -7.513 265 HA3 GLY 37 HA1 GLY 37 -7.205 4.503 -8.252 266 H ILE 38 HN ILE 38 -5.921 4.057 -5.480 267 HA ILE 38 HA ILE 38 -5.900 1.084 -5.701 268 HB ILE 38 HB ILE 38 -3.792 2.804 -5.729 269 HG12 ILE 38 HG12 ILE 38 -3.338 0.605 -6.356 270 HG13 ILE 38 HG11 ILE 38 -2.385 0.767 -4.900 271 HG21 ILE 38 HG21 ILE 38 -2.567 2.671 -3.607 272 HG22 ILE 38 HG22 ILE 38 -3.945 1.901 -2.837 273 HG23 ILE 38 HG23 ILE 38 -4.072 3.559 -3.422 274 HD11 ILE 38 HD11 ILE 38 -3.407 -1.235 -4.427 275 HD12 ILE 38 HD12 ILE 38 -4.825 -0.884 -5.403 276 HD13 ILE 38 HD13 ILE 38 -4.657 -0.177 -3.797 277 H VAL 39 HN VAL 39 -5.821 3.580 -3.130 278 HA VAL 39 HA VAL 39 -6.315 1.750 -1.017 279 HB VAL 39 HB VAL 39 -7.204 4.635 -0.980 280 HG11 VAL 39 HG11 VAL 39 -7.647 2.990 0.938 281 HG12 VAL 39 HG12 VAL 39 -6.794 4.474 1.362 282 HG13 VAL 39 HG13 VAL 39 -5.900 2.965 1.178 283 HG21 VAL 39 HG21 VAL 39 -4.735 4.911 -0.069 284 HG22 VAL 39 HG22 VAL 39 -5.026 4.918 -1.805 285 HG23 VAL 39 HG23 VAL 39 -4.423 3.458 -1.020 286 H GLU 40 HN GLU 40 -8.735 4.097 -2.310 287 HA GLU 40 HA GLU 40 -10.899 2.889 -0.951 288 HB2 GLU 40 HB2 GLU 40 -12.326 4.274 -2.191 289 HB3 GLU 40 HB1 GLU 40 -10.804 5.157 -2.174 290 HG2 GLU 40 HG2 GLU 40 -11.402 5.278 -4.433 291 HG3 GLU 40 HG1 GLU 40 -10.331 3.883 -4.408 292 H GLN 41 HN GLN 41 -9.656 2.190 -4.215 293 HA GLN 41 HA GLN 41 -11.670 0.469 -5.115 294 HB2 GLN 41 HB2 GLN 41 -9.572 1.135 -6.366 295 HB3 GLN 41 HB1 GLN 41 -8.705 -0.102 -5.453 296 HG2 GLN 41 HG2 GLN 41 -9.368 -1.159 -7.488 297 HG3 GLN 41 HG1 GLN 41 -10.507 -1.736 -6.276 298 HE21 GLN 41 HE21 GLN 41 -12.421 -1.958 -7.424 299 HE22 GLN 41 HE22 GLN 41 -13.130 -0.722 -8.334 300 H CYS 42 HN CYS 42 -8.767 -0.509 -3.279 301 HA CYS 42 HA CYS 42 -9.953 -3.138 -2.750 302 HB2 CYS 42 HB2 CYS 42 -7.356 -1.897 -1.809 303 HB3 CYS 42 HB1 CYS 42 -7.824 -3.583 -1.609 304 H CYS 43 HN CYS 43 -9.606 -0.090 -1.003 305 HA CYS 43 HA CYS 43 -10.218 -1.360 1.583 306 HB2 CYS 43 HB2 CYS 43 -8.768 0.638 1.545 307 HB3 CYS 43 HB1 CYS 43 -10.083 1.579 0.834 308 H HIS 44 HN HIS 44 -11.885 0.974 -0.561 309 HA HIS 44 HA HIS 44 -14.349 0.840 0.929 310 HB2 HIS 44 HB2 HIS 44 -13.625 2.673 -0.711 311 HB3 HIS 44 HB1 HIS 44 -14.099 1.564 -1.998 312 HD2 HIS 44 HD2 HIS 44 -16.936 0.980 -2.073 313 HE1 HIS 44 HE1 HIS 44 -18.005 4.094 0.574 314 HE2 HIS 44 HE2 HIS 44 -18.891 2.375 -1.076 315 H SER 45 HN SER 45 -12.956 -1.041 -1.684 316 HA SER 45 HA SER 45 -15.290 -2.911 -1.495 317 HB2 SER 45 HB2 SER 45 -13.986 -2.304 -4.147 318 HB3 SER 45 HB1 SER 45 -15.536 -3.080 -3.832 319 HG SER 45 HG SER 45 -16.429 -1.181 -3.691 320 H ILE 46 HN ILE 46 -14.735 -5.110 -2.155 321 HA ILE 46 HA ILE 46 -12.019 -5.824 -1.364 322 HB ILE 46 HB ILE 46 -14.062 -7.710 -2.558 323 HG12 ILE 46 HG12 ILE 46 -15.119 -6.254 -0.732 324 HG13 ILE 46 HG11 ILE 46 -15.154 -7.986 -0.455 325 HG21 ILE 46 HG21 ILE 46 -12.991 -9.274 -0.939 326 HG22 ILE 46 HG22 ILE 46 -11.848 -8.002 -0.511 327 HG23 ILE 46 HG23 ILE 46 -11.877 -8.650 -2.150 328 HD11 ILE 46 HD11 ILE 46 -14.260 -6.133 1.364 329 HD12 ILE 46 HD12 ILE 46 -12.746 -6.673 0.644 330 HD13 ILE 46 HD13 ILE 46 -13.836 -7.841 1.382 331 H CYS 47 HN CYS 47 -10.352 -5.817 -2.799 332 HA CYS 47 HA CYS 47 -10.964 -6.215 -5.714 333 HB2 CYS 47 HB2 CYS 47 -9.065 -4.884 -6.220 334 HB3 CYS 47 HB1 CYS 47 -9.891 -4.025 -4.923 335 H SER 48 HN SER 48 -9.438 -7.501 -6.934 336 HA SER 48 HA SER 48 -8.382 -9.766 -5.356 337 HB2 SER 48 HB2 SER 48 -7.839 -10.586 -7.782 338 HB3 SER 48 HB1 SER 48 -9.518 -10.529 -7.261 339 HG SER 48 HG SER 48 -8.795 -8.134 -8.204 340 H LEU 49 HN LEU 49 -6.177 -10.595 -5.996 341 HA LEU 49 HA LEU 49 -4.165 -8.640 -5.530 342 HB2 LEU 49 HB2 LEU 49 -3.781 -11.305 -6.917 343 HB3 LEU 49 HB1 LEU 49 -2.578 -10.406 -6.002 344 HG LEU 49 HG LEU 49 -5.022 -11.846 -4.950 345 HD11 LEU 49 HD11 LEU 49 -2.966 -13.177 -5.178 346 HD12 LEU 49 HD12 LEU 49 -3.323 -12.901 -3.472 347 HD13 LEU 49 HD13 LEU 49 -2.065 -11.960 -4.273 348 HD21 LEU 49 HD21 LEU 49 -3.327 -9.722 -3.645 349 HD22 LEU 49 HD22 LEU 49 -4.195 -10.927 -2.695 350 HD23 LEU 49 HD23 LEU 49 -5.086 -9.805 -3.720 351 H TYR 50 HN TYR 50 -5.579 -9.954 -8.421 352 HA TYR 50 HA TYR 50 -3.876 -9.283 -10.456 353 HB2 TYR 50 HB2 TYR 50 -6.335 -10.212 -10.385 354 HB3 TYR 50 HB1 TYR 50 -6.791 -8.525 -10.631 355 HD1 TYR 50 HD2 TYR 50 -4.907 -11.356 -11.963 356 HD2 TYR 50 HD1 TYR 50 -6.429 -7.440 -12.717 357 HE1 TYR 50 HE2 TYR 50 -4.380 -11.636 -14.384 358 HE2 TYR 50 HE1 TYR 50 -5.914 -7.688 -15.140 359 HH TYR 50 HH TYR 50 -3.945 -9.462 -16.422 360 H GLN 51 HN GLN 51 -6.357 -7.115 -9.139 361 HA GLN 51 HA GLN 51 -5.476 -4.795 -10.560 362 HB2 GLN 51 HB2 GLN 51 -6.759 -4.685 -7.822 363 HB3 GLN 51 HB1 GLN 51 -6.917 -3.554 -9.162 364 HG2 GLN 51 HG2 GLN 51 -7.926 -5.522 -10.491 365 HG3 GLN 51 HG1 GLN 51 -8.100 -6.316 -8.927 366 HE21 GLN 51 HE21 GLN 51 -10.271 -5.346 -10.704 367 HE22 GLN 51 HE22 GLN 51 -11.156 -4.215 -9.801 368 H LEU 52 HN LEU 52 -4.645 -6.036 -7.336 369 HA LEU 52 HA LEU 52 -2.946 -3.867 -6.611 370 HB2 LEU 52 HB2 LEU 52 -2.804 -6.785 -5.852 371 HB3 LEU 52 HB1 LEU 52 -1.892 -5.505 -5.060 372 HG LEU 52 HG LEU 52 -4.917 -5.712 -5.196 373 HD11 LEU 52 HD11 LEU 52 -3.726 -7.284 -3.674 374 HD12 LEU 52 HD12 LEU 52 -4.762 -6.138 -2.823 375 HD13 LEU 52 HD13 LEU 52 -3.016 -5.895 -2.849 376 HD21 LEU 52 HD21 LEU 52 -3.048 -3.545 -4.320 377 HD22 LEU 52 HD22 LEU 52 -4.495 -3.806 -3.345 378 HD23 LEU 52 HD23 LEU 52 -4.638 -3.411 -5.055 379 H GLU 53 HN GLU 53 -2.617 -6.548 -8.727 380 HA GLU 53 HA GLU 53 0.268 -6.395 -8.981 381 HB2 GLU 53 HB2 GLU 53 -1.710 -8.248 -9.653 382 HB3 GLU 53 HB1 GLU 53 -1.226 -7.625 -11.227 383 HG2 GLU 53 HG2 GLU 53 0.745 -8.655 -9.164 384 HG3 GLU 53 HG1 GLU 53 0.061 -9.654 -10.433 385 H ASN 54 HN ASN 54 -2.267 -4.496 -9.957 386 HA ASN 54 HA ASN 54 -1.238 -3.646 -12.547 387 HB2 ASN 54 HB2 ASN 54 -3.697 -3.601 -11.589 388 HB3 ASN 54 HB1 ASN 54 -3.209 -2.052 -10.902 389 HD21 ASN 54 HD21 ASN 54 -5.199 -2.429 -13.028 390 HD22 ASN 54 HD22 ASN 54 -4.614 -1.621 -14.398 391 H TYR 55 HN TYR 55 -0.847 -2.677 -9.208 392 HA TYR 55 HA TYR 55 0.520 -0.156 -10.030 393 HB2 TYR 55 HB2 TYR 55 -0.055 -1.118 -7.223 394 HB3 TYR 55 HB1 TYR 55 0.298 0.522 -7.755 395 HD1 TYR 55 HD2 TYR 55 -2.194 -2.152 -7.716 396 HD2 TYR 55 HD1 TYR 55 -1.372 1.876 -8.864 397 HE1 TYR 55 HE2 TYR 55 -4.632 -1.787 -8.115 398 HE2 TYR 55 HE1 TYR 55 -3.790 2.260 -9.279 399 HH TYR 55 HH TYR 55 -6.188 -0.312 -8.681 400 H CYS 56 HN CYS 56 1.447 -3.279 -9.782 401 HA CYS 56 HA CYS 56 3.800 -2.968 -8.083 402 HB2 CYS 56 HB2 CYS 56 3.028 -5.084 -10.109 403 HB3 CYS 56 HB1 CYS 56 4.471 -5.163 -9.104 404 H ASN 57 HN ASN 57 5.414 -1.629 -8.729 405 HA ASN 57 HA ASN 57 6.937 -0.519 -10.134 406 HB2 ASN 57 HB2 ASN 57 7.866 -2.788 -10.273 407 HB3 ASN 57 HB1 ASN 57 6.748 -3.178 -11.579 408 HD21 ASN 57 HD21 ASN 57 9.685 -1.400 -10.773 409 HD22 ASN 57 HD22 ASN 57 10.089 -0.981 -12.368 Start of MODEL 3 1 H1 PHE 1 HT1 PHE 1 -6.895 -12.653 2.699 2 H2 PHE 1 HT2 PHE 1 -5.572 -11.922 3.476 3 H3 PHE 1 HT3 PHE 1 -5.346 -13.325 2.544 4 HA PHE 1 HA PHE 1 -5.864 -10.570 1.659 5 HB2 PHE 1 HB2 PHE 1 -3.566 -11.696 1.903 6 HB3 PHE 1 HB1 PHE 1 -4.013 -12.692 0.529 7 HD1 PHE 1 HD2 PHE 1 -5.617 -9.784 -0.362 8 HD2 PHE 1 HD1 PHE 1 -1.645 -11.244 0.305 9 HE1 PHE 1 HE2 PHE 1 -4.731 -8.063 -1.837 10 HE2 PHE 1 HE1 PHE 1 -0.757 -9.501 -1.180 11 HZ PHE 1 HZ PHE 1 -2.289 -7.903 -2.255 12 H VAL 2 HN VAL 2 -7.946 -12.655 1.561 13 HA VAL 2 HA VAL 2 -8.087 -13.306 -1.351 14 HB VAL 2 HB VAL 2 -10.099 -14.720 -0.384 15 HG11 VAL 2 HG11 VAL 2 -8.110 -15.750 -1.316 16 HG12 VAL 2 HG12 VAL 2 -8.475 -16.536 0.220 17 HG13 VAL 2 HG13 VAL 2 -7.178 -15.346 0.126 18 HG21 VAL 2 HG21 VAL 2 -10.040 -15.194 1.923 19 HG22 VAL 2 HG22 VAL 2 -9.727 -13.460 1.891 20 HG23 VAL 2 HG23 VAL 2 -8.394 -14.591 2.106 21 H ASN 3 HN ASN 3 -10.913 -13.104 0.682 22 HA ASN 3 HA ASN 3 -12.018 -11.004 -1.111 23 HB2 ASN 3 HB2 ASN 3 -13.517 -12.626 0.955 24 HB3 ASN 3 HB1 ASN 3 -14.184 -11.737 -0.411 25 HD21 ASN 3 HD21 ASN 3 -14.602 -12.985 -2.223 26 HD22 ASN 3 HD22 ASN 3 -13.872 -14.475 -2.577 27 H GLN 4 HN GLN 4 -10.133 -10.531 1.186 28 HA GLN 4 HA GLN 4 -11.859 -8.988 3.051 29 HB2 GLN 4 HB2 GLN 4 -9.405 -8.587 4.059 30 HB3 GLN 4 HB1 GLN 4 -10.299 -10.071 4.365 31 HG2 GLN 4 HG2 GLN 4 -9.136 -11.194 2.519 32 HG3 GLN 4 HG1 GLN 4 -8.269 -9.703 2.142 33 HE21 GLN 4 HE21 GLN 4 -8.139 -12.574 3.968 34 HE22 GLN 4 HE22 GLN 4 -6.863 -12.148 4.999 35 H HIS 5 HN HIS 5 -11.245 -6.750 3.538 36 HA HIS 5 HA HIS 5 -10.504 -5.292 1.059 37 HB2 HIS 5 HB2 HIS 5 -11.304 -3.308 2.570 38 HB3 HIS 5 HB1 HIS 5 -12.504 -4.429 1.930 39 HD2 HIS 5 HD2 HIS 5 -10.501 -4.031 5.358 40 HE1 HIS 5 HE1 HIS 5 -14.184 -5.960 6.107 41 HE2 HIS 5 HE2 HIS 5 -12.079 -5.016 7.175 42 H LEU 6 HN LEU 6 -8.709 -4.008 0.920 43 HA LEU 6 HA LEU 6 -6.757 -4.105 3.177 44 HB2 LEU 6 HB2 LEU 6 -6.574 -3.785 0.200 45 HB3 LEU 6 HB1 LEU 6 -5.325 -3.057 1.177 46 HG LEU 6 HG LEU 6 -4.459 -5.097 1.877 47 HD11 LEU 6 HD11 LEU 6 -6.160 -6.257 2.952 48 HD12 LEU 6 HD12 LEU 6 -5.885 -7.275 1.547 49 HD13 LEU 6 HD13 LEU 6 -7.244 -6.158 1.568 50 HD21 LEU 6 HD21 LEU 6 -4.523 -6.648 -0.071 51 HD22 LEU 6 HD22 LEU 6 -4.154 -4.998 -0.527 52 HD23 LEU 6 HD23 LEU 6 -5.767 -5.663 -0.798 53 H CYS 7 HN CYS 7 -6.218 -2.247 4.249 54 HA CYS 7 HA CYS 7 -6.757 0.377 3.005 55 HB2 CYS 7 HB2 CYS 7 -8.760 -0.650 4.495 56 HB3 CYS 7 HB1 CYS 7 -7.818 0.087 5.788 57 H GLY 8 HN GLY 8 -5.029 1.633 3.429 58 HA2 GLY 8 HA2 GLY 8 -3.207 2.572 4.593 59 HA3 GLY 8 HA1 GLY 8 -3.803 1.778 6.051 60 H SER 9 HN SER 9 -1.734 1.032 6.681 61 HA SER 9 HA SER 9 0.262 -0.191 5.197 62 HB2 SER 9 HB2 SER 9 -0.758 -0.963 7.944 63 HB3 SER 9 HB1 SER 9 0.751 -1.554 7.255 64 HG SER 9 HG SER 9 0.328 1.185 7.151 65 H ASP 10 HN ASP 10 -2.844 -1.613 6.127 66 HA ASP 10 HA ASP 10 -2.371 -4.330 5.657 67 HB2 ASP 10 HB2 ASP 10 -4.733 -2.532 5.185 68 HB3 ASP 10 HB1 ASP 10 -4.817 -4.192 4.613 69 H LEU 11 HN LEU 11 -3.225 -1.849 3.239 70 HA LEU 11 HA LEU 11 -3.093 -3.504 0.961 71 HB2 LEU 11 HB2 LEU 11 -3.974 -1.238 0.782 72 HB3 LEU 11 HB1 LEU 11 -2.433 -0.558 1.287 73 HG LEU 11 HG LEU 11 -1.362 -1.286 -0.753 74 HD11 LEU 11 HD11 LEU 11 -3.952 -2.750 -1.228 75 HD12 LEU 11 HD12 LEU 11 -2.322 -3.421 -1.150 76 HD13 LEU 11 HD13 LEU 11 -2.793 -2.414 -2.505 77 HD21 LEU 11 HD21 LEU 11 -4.097 -0.158 -1.415 78 HD22 LEU 11 HD22 LEU 11 -2.666 -0.069 -2.439 79 HD23 LEU 11 HD23 LEU 11 -2.705 0.796 -0.904 80 H VAL 12 HN VAL 12 -0.513 -1.408 2.292 81 HA VAL 12 HA VAL 12 1.565 -2.037 0.567 82 HB VAL 12 HB VAL 12 1.906 -1.904 3.573 83 HG11 VAL 12 HG11 VAL 12 4.103 -1.174 3.111 84 HG12 VAL 12 HG12 VAL 12 3.724 -0.795 1.432 85 HG13 VAL 12 HG13 VAL 12 3.854 -2.475 1.950 86 HG21 VAL 12 HG21 VAL 12 0.481 -0.046 2.865 87 HG22 VAL 12 HG22 VAL 12 1.588 0.329 1.546 88 HG23 VAL 12 HG23 VAL 12 2.098 0.561 3.217 89 H GLU 13 HN GLU 13 1.176 -3.751 3.693 90 HA GLU 13 HA GLU 13 2.942 -5.853 3.205 91 HB2 GLU 13 HB2 GLU 13 0.258 -6.026 4.609 92 HB3 GLU 13 HB1 GLU 13 1.568 -7.196 4.763 93 HG2 GLU 13 HG2 GLU 13 3.049 -5.352 5.589 94 HG3 GLU 13 HG1 GLU 13 1.653 -4.274 5.564 95 H ALA 14 HN ALA 14 -0.240 -5.336 1.842 96 HA ALA 14 HA ALA 14 -0.424 -8.053 0.770 97 HB1 ALA 14 HB1 ALA 14 -2.595 -7.452 0.677 98 HB2 ALA 14 HB2 ALA 14 -2.218 -6.309 -0.617 99 HB3 ALA 14 HB3 ALA 14 -2.181 -5.786 1.061 100 H LEU 15 HN LEU 15 0.060 -4.803 -0.751 101 HA LEU 15 HA LEU 15 0.558 -5.758 -3.342 102 HB2 LEU 15 HB2 LEU 15 1.767 -3.425 -1.860 103 HB3 LEU 15 HB1 LEU 15 2.193 -3.777 -3.531 104 HG LEU 15 HG LEU 15 -0.722 -3.560 -2.780 105 HD11 LEU 15 HD11 LEU 15 -0.729 -1.191 -3.082 106 HD12 LEU 15 HD12 LEU 15 0.941 -1.178 -3.641 107 HD13 LEU 15 HD13 LEU 15 0.583 -1.497 -1.948 108 HD21 LEU 15 HD21 LEU 15 0.795 -2.771 -5.283 109 HD22 LEU 15 HD22 LEU 15 -0.952 -2.895 -5.099 110 HD23 LEU 15 HD23 LEU 15 0.044 -4.346 -5.054 111 H TYR 16 HN TYR 16 2.674 -5.698 -0.517 112 HA TYR 16 HA TYR 16 5.143 -6.271 -1.677 113 HB2 TYR 16 HB2 TYR 16 4.900 -5.918 0.712 114 HB3 TYR 16 HB1 TYR 16 3.979 -7.411 0.868 115 HD1 TYR 16 HD2 TYR 16 7.231 -6.262 -0.638 116 HD2 TYR 16 HD1 TYR 16 5.162 -9.275 1.607 117 HE1 TYR 16 HE2 TYR 16 9.346 -7.531 -0.396 118 HE2 TYR 16 HE1 TYR 16 7.276 -10.549 1.853 119 HH TYR 16 HH TYR 16 10.107 -9.464 1.626 120 H LEU 17 HN LEU 17 2.634 -8.720 -0.820 121 HA LEU 17 HA LEU 17 4.180 -10.899 -1.933 122 HB2 LEU 17 HB2 LEU 17 1.167 -10.715 -1.627 123 HB3 LEU 17 HB1 LEU 17 2.092 -12.174 -1.902 124 HG LEU 17 HG LEU 17 3.329 -11.688 0.260 125 HD11 LEU 17 HD11 LEU 17 2.965 -9.489 0.863 126 HD12 LEU 17 HD12 LEU 17 1.692 -10.245 1.806 127 HD13 LEU 17 HD13 LEU 17 1.310 -9.470 0.273 128 HD21 LEU 17 HD21 LEU 17 0.382 -12.341 0.109 129 HD22 LEU 17 HD22 LEU 17 1.228 -12.366 1.654 130 HD23 LEU 17 HD23 LEU 17 1.741 -13.435 0.350 131 H VAL 18 HN VAL 18 1.408 -9.028 -3.146 132 HA VAL 18 HA VAL 18 1.122 -10.177 -5.678 133 HB VAL 18 HB VAL 18 0.950 -7.222 -5.039 134 HG11 VAL 18 HG11 VAL 18 -0.576 -7.080 -6.857 135 HG12 VAL 18 HG12 VAL 18 -0.614 -8.827 -7.051 136 HG13 VAL 18 HG13 VAL 18 0.843 -7.924 -7.455 137 HG21 VAL 18 HG21 VAL 18 -1.389 -7.644 -4.479 138 HG22 VAL 18 HG22 VAL 18 -0.353 -8.638 -3.455 139 HG23 VAL 18 HG23 VAL 18 -1.185 -9.359 -4.831 140 H CYS 19 HN CYS 19 3.072 -7.281 -4.956 141 HA CYS 19 HA CYS 19 4.401 -7.384 -7.534 142 HB2 CYS 19 HB2 CYS 19 5.390 -5.840 -5.142 143 HB3 CYS 19 HB1 CYS 19 5.478 -5.413 -6.847 144 H GLY 20 HN GLY 20 4.991 -8.702 -4.389 145 HA2 GLY 20 HA2 GLY 20 6.758 -10.004 -3.552 146 HA3 GLY 20 HA1 GLY 20 6.947 -10.535 -5.220 147 H GLU 21 HN GLU 21 9.088 -10.371 -5.676 148 HA GLU 21 HA GLU 21 10.794 -8.350 -4.471 149 HB2 GLU 21 HB2 GLU 21 11.242 -10.335 -6.713 150 HB3 GLU 21 HB1 GLU 21 12.501 -9.278 -6.075 151 HG2 GLU 21 HG2 GLU 21 12.078 -10.228 -3.801 152 HG3 GLU 21 HG1 GLU 21 10.934 -11.358 -4.526 153 H ARG 22 HN ARG 22 8.679 -8.330 -7.135 154 HA ARG 22 HA ARG 22 10.083 -6.726 -8.999 155 HB2 ARG 22 HB2 ARG 22 7.129 -6.526 -8.346 156 HB3 ARG 22 HB1 ARG 22 7.909 -6.072 -9.858 157 HG2 ARG 22 HG2 ARG 22 8.413 -8.343 -10.401 158 HG3 ARG 22 HG1 ARG 22 8.058 -8.892 -8.774 159 HD2 ARG 22 HD2 ARG 22 5.861 -9.180 -9.274 160 HD3 ARG 22 HD1 ARG 22 5.719 -7.544 -9.891 161 HE ARG 22 HE ARG 22 5.777 -9.926 -11.453 162 HH11 ARG 22 HH21 ARG 22 7.325 -6.842 -11.349 163 HH12 ARG 22 HH22 ARG 22 7.753 -6.861 -13.026 164 HH21 ARG 22 HH11 ARG 22 6.322 -9.958 -13.630 165 HH22 ARG 22 HH12 ARG 22 7.184 -8.622 -14.316 166 H GLY 23 HN GLY 23 8.593 -5.910 -5.933 167 HA2 GLY 23 HA2 GLY 23 8.856 -3.929 -4.676 168 HA3 GLY 23 HA1 GLY 23 9.892 -3.297 -5.961 169 H PHE 24 HN PHE 24 7.726 -1.831 -4.646 170 HA PHE 24 HA PHE 24 6.288 -1.023 -7.072 171 HB2 PHE 24 HB2 PHE 24 4.071 -1.378 -6.172 172 HB3 PHE 24 HB1 PHE 24 4.949 -2.904 -6.110 173 HD1 PHE 24 HD1 PHE 24 5.730 -3.837 -3.991 174 HD2 PHE 24 HD2 PHE 24 3.570 -0.122 -4.115 175 HE1 PHE 24 HE1 PHE 24 5.363 -3.964 -1.544 176 HE2 PHE 24 HE2 PHE 24 3.197 -0.265 -1.667 177 HZ PHE 24 HZ PHE 24 4.094 -2.182 -0.387 178 H PHE 25 HN PHE 25 4.746 0.805 -6.485 179 HA PHE 25 HA PHE 25 5.991 2.549 -4.389 180 HB2 PHE 25 HB2 PHE 25 5.205 4.446 -5.821 181 HB3 PHE 25 HB1 PHE 25 6.380 3.417 -6.643 182 HD1 PHE 25 HD1 PHE 25 2.744 4.173 -6.324 183 HD2 PHE 25 HD2 PHE 25 5.791 2.158 -8.587 184 HE1 PHE 25 HE1 PHE 25 1.095 3.713 -8.128 185 HE2 PHE 25 HE2 PHE 25 4.150 1.703 -10.389 186 HZ PHE 25 HZ PHE 25 1.806 2.479 -10.160 187 H TYR 26 HN TYR 26 4.612 3.450 -2.886 188 HA TYR 26 HA TYR 26 1.867 2.450 -2.820 189 HB2 TYR 26 HB2 TYR 26 3.445 2.988 -0.788 190 HB3 TYR 26 HB1 TYR 26 2.898 4.649 -1.016 191 HD1 TYR 26 HD1 TYR 26 1.504 1.164 -0.838 192 HD2 TYR 26 HD2 TYR 26 0.932 5.323 0.092 193 HE1 TYR 26 HE1 TYR 26 -0.614 0.627 0.339 194 HE2 TYR 26 HE2 TYR 26 -1.175 4.773 1.271 195 HH TYR 26 HH TYR 26 -2.914 2.844 1.114 196 H THR 27 HN THR 27 0.071 4.214 -2.430 197 HA THR 27 HA THR 27 -0.038 5.797 -4.805 198 HB THR 27 HB THR 27 -2.061 5.022 -3.668 199 HG1 THR 27 HG1 THR 27 -3.153 7.000 -3.794 200 HG21 THR 27 HG21 THR 27 -1.260 6.985 -1.497 201 HG22 THR 27 HG22 THR 27 -1.283 5.232 -1.352 202 HG23 THR 27 HG23 THR 27 -2.788 6.111 -1.571 203 H ASP 28 HN ASP 28 -0.585 8.275 -4.578 204 HA ASP 28 HA ASP 28 1.696 9.682 -4.131 205 HB2 ASP 28 HB2 ASP 28 -1.005 10.336 -4.633 206 HB3 ASP 28 HB1 ASP 28 -0.540 11.353 -3.275 207 HA PRO 29 HA PRO 29 2.276 9.785 0.320 208 HB2 PRO 29 HB2 PRO 29 3.950 11.981 0.510 209 HB3 PRO 29 HB1 PRO 29 4.485 10.390 -0.052 210 HG2 PRO 29 HG2 PRO 29 3.946 12.861 -1.639 211 HG3 PRO 29 HG1 PRO 29 5.062 11.532 -1.982 212 HD2 PRO 29 HD2 PRO 29 2.536 11.896 -3.193 213 HD3 PRO 29 HD1 PRO 29 3.499 10.401 -3.204 214 H THR 30 HN THR 30 0.663 12.229 -1.416 215 HA THR 30 HA THR 30 0.417 14.356 0.391 216 HB THR 30 HB THR 30 -1.623 14.936 -0.767 217 HG1 THR 30 HG1 THR 30 -1.555 12.265 -1.719 218 HG21 THR 30 HG21 THR 30 -0.846 14.794 -3.079 219 HG22 THR 30 HG22 THR 30 0.242 13.472 -2.656 220 HG23 THR 30 HG23 THR 30 0.529 15.088 -2.013 221 H GLY 31 HN GLY 31 -1.458 11.327 0.359 222 HA2 GLY 31 HA2 GLY 31 -2.692 10.345 2.108 223 HA3 GLY 31 HA1 GLY 31 -1.904 11.479 3.199 224 H GLY 32 HN GLY 32 -3.045 13.657 1.224 225 HA2 GLY 32 HA2 GLY 32 -5.614 13.936 2.704 226 HA3 GLY 32 HA1 GLY 32 -4.794 15.222 1.816 227 H GLY 33 HN GLY 33 -4.380 13.067 -0.352 228 HA2 GLY 33 HA2 GLY 33 -6.936 12.339 -1.397 229 HA3 GLY 33 HA1 GLY 33 -6.419 13.859 -2.135 230 HA PRO 34 HA PRO 34 -2.839 10.910 -3.283 231 HB2 PRO 34 HB2 PRO 34 -3.014 8.306 -2.302 232 HB3 PRO 34 HB1 PRO 34 -2.088 9.598 -1.538 233 HG2 PRO 34 HG2 PRO 34 -4.730 8.449 -0.769 234 HG3 PRO 34 HG1 PRO 34 -3.489 9.189 0.259 235 HD2 PRO 34 HD2 PRO 34 -5.851 10.461 -0.523 236 HD3 PRO 34 HD1 PRO 34 -4.374 11.295 0.008 237 H ARG 35 HN ARG 35 -2.735 8.602 -4.532 238 HA ARG 35 HA ARG 35 -4.723 8.655 -6.562 239 HB2 ARG 35 HB2 ARG 35 -2.350 7.520 -6.496 240 HB3 ARG 35 HB1 ARG 35 -3.220 6.126 -5.864 241 HG2 ARG 35 HG2 ARG 35 -4.721 6.188 -7.841 242 HG3 ARG 35 HG1 ARG 35 -3.785 7.537 -8.488 243 HD2 ARG 35 HD2 ARG 35 -1.734 6.057 -8.342 244 HD3 ARG 35 HD1 ARG 35 -2.816 4.712 -7.970 245 HE ARG 35 HE ARG 35 -3.868 5.776 -10.299 246 HH11 ARG 35 HH21 ARG 35 -0.778 4.687 -9.226 247 HH12 ARG 35 HH22 ARG 35 -0.274 4.151 -10.794 248 HH21 ARG 35 HH11 ARG 35 -3.227 5.082 -12.354 249 HH22 ARG 35 HH12 ARG 35 -1.660 4.376 -12.564 250 H ARG 36 HN ARG 36 -6.768 8.664 -5.406 251 HA ARG 36 HA ARG 36 -7.563 6.659 -3.551 252 HB2 ARG 36 HB2 ARG 36 -9.933 7.263 -4.518 253 HB3 ARG 36 HB1 ARG 36 -9.018 8.497 -3.650 254 HG2 ARG 36 HG2 ARG 36 -8.366 9.596 -5.626 255 HG3 ARG 36 HG1 ARG 36 -8.719 8.191 -6.632 256 HD2 ARG 36 HD2 ARG 36 -10.788 9.856 -5.165 257 HD3 ARG 36 HD1 ARG 36 -10.445 9.950 -6.893 258 HE ARG 36 HE ARG 36 -11.021 7.273 -6.484 259 HH11 ARG 36 HH21 ARG 36 -12.527 10.293 -5.774 260 HH12 ARG 36 HH22 ARG 36 -14.139 9.669 -5.894 261 HH21 ARG 36 HH11 ARG 36 -13.118 6.440 -6.641 262 HH22 ARG 36 HH12 ARG 36 -14.473 7.487 -6.384 263 H GLY 37 HN GLY 37 -6.606 6.269 -6.689 264 HA2 GLY 37 HA2 GLY 37 -8.545 4.335 -7.612 265 HA3 GLY 37 HA1 GLY 37 -6.948 4.605 -8.307 266 H ILE 38 HN ILE 38 -5.727 4.155 -5.526 267 HA ILE 38 HA ILE 38 -5.792 1.181 -5.702 268 HB ILE 38 HB ILE 38 -3.636 2.852 -5.743 269 HG12 ILE 38 HG12 ILE 38 -3.290 0.633 -6.388 270 HG13 ILE 38 HG11 ILE 38 -2.284 0.776 -4.965 271 HG21 ILE 38 HG21 ILE 38 -3.804 1.921 -2.861 272 HG22 ILE 38 HG22 ILE 38 -3.884 3.588 -3.425 273 HG23 ILE 38 HG23 ILE 38 -2.406 2.662 -3.629 274 HD11 ILE 38 HD11 ILE 38 -3.346 -1.175 -4.413 275 HD12 ILE 38 HD12 ILE 38 -4.765 -0.823 -5.385 276 HD13 ILE 38 HD13 ILE 38 -4.573 -0.084 -3.797 277 H VAL 39 HN VAL 39 -5.623 3.687 -3.134 278 HA VAL 39 HA VAL 39 -6.189 1.865 -1.027 279 HB VAL 39 HB VAL 39 -6.973 4.779 -0.952 280 HG11 VAL 39 HG11 VAL 39 -7.433 3.174 0.968 281 HG12 VAL 39 HG12 VAL 39 -6.454 4.581 1.381 282 HG13 VAL 39 HG13 VAL 39 -5.685 3.012 1.142 283 HG21 VAL 39 HG21 VAL 39 -4.225 3.526 -1.055 284 HG22 VAL 39 HG22 VAL 39 -4.484 4.996 -0.114 285 HG23 VAL 39 HG23 VAL 39 -4.812 4.991 -1.844 286 H GLU 40 HN GLU 40 -8.487 4.327 -2.304 287 HA GLU 40 HA GLU 40 -10.745 3.274 -0.990 288 HB2 GLU 40 HB2 GLU 40 -10.727 4.578 -3.723 289 HB3 GLU 40 HB1 GLU 40 -12.097 4.470 -2.620 290 HG2 GLU 40 HG2 GLU 40 -10.609 5.698 -0.915 291 HG3 GLU 40 HG1 GLU 40 -9.551 6.062 -2.279 292 H GLN 41 HN GLN 41 -9.527 2.462 -4.252 293 HA GLN 41 HA GLN 41 -11.546 0.739 -5.095 294 HB2 GLN 41 HB2 GLN 41 -9.442 1.359 -6.358 295 HB3 GLN 41 HB1 GLN 41 -8.597 0.112 -5.439 296 HG2 GLN 41 HG2 GLN 41 -9.306 -0.917 -7.489 297 HG3 GLN 41 HG1 GLN 41 -10.397 -1.508 -6.237 298 HE21 GLN 41 HE21 GLN 41 -12.315 -1.767 -7.391 299 HE22 GLN 41 HE22 GLN 41 -13.081 -0.518 -8.235 300 H CYS 42 HN CYS 42 -8.634 -0.312 -3.286 301 HA CYS 42 HA CYS 42 -9.910 -2.894 -2.729 302 HB2 CYS 42 HB2 CYS 42 -7.269 -1.790 -1.744 303 HB3 CYS 42 HB1 CYS 42 -7.798 -3.471 -1.690 304 H CYS 43 HN CYS 43 -9.467 0.137 -1.000 305 HA CYS 43 HA CYS 43 -10.076 -1.109 1.601 306 HB2 CYS 43 HB2 CYS 43 -8.582 0.857 1.546 307 HB3 CYS 43 HB1 CYS 43 -9.882 1.824 0.841 308 H HIS 44 HN HIS 44 -11.703 1.245 -0.549 309 HA HIS 44 HA HIS 44 -14.161 1.181 0.956 310 HB2 HIS 44 HB2 HIS 44 -13.346 2.957 -0.753 311 HB3 HIS 44 HB1 HIS 44 -13.975 1.864 -1.985 312 HD2 HIS 44 HD2 HIS 44 -16.871 1.324 -1.644 313 HE1 HIS 44 HE1 HIS 44 -17.500 4.865 0.572 314 HE2 HIS 44 HE2 HIS 44 -18.639 2.976 -0.692 315 H SER 45 HN SER 45 -12.798 -0.808 -1.571 316 HA SER 45 HA SER 45 -15.212 -2.575 -1.414 317 HB2 SER 45 HB2 SER 45 -15.542 -1.460 -3.499 318 HB3 SER 45 HB1 SER 45 -13.836 -1.578 -3.914 319 HG SER 45 HG SER 45 -15.830 -3.562 -3.879 320 H ILE 46 HN ILE 46 -14.626 -4.755 -2.496 321 HA ILE 46 HA ILE 46 -12.008 -5.604 -1.388 322 HB ILE 46 HB ILE 46 -14.120 -7.406 -2.595 323 HG12 ILE 46 HG12 ILE 46 -15.135 -5.844 -0.825 324 HG13 ILE 46 HG11 ILE 46 -15.289 -7.565 -0.524 325 HG21 ILE 46 HG21 ILE 46 -12.022 -8.472 -2.107 326 HG22 ILE 46 HG22 ILE 46 -13.183 -8.972 -0.882 327 HG23 ILE 46 HG23 ILE 46 -11.965 -7.757 -0.497 328 HD11 ILE 46 HD11 ILE 46 -13.975 -7.493 1.329 329 HD12 ILE 46 HD12 ILE 46 -14.353 -5.773 1.312 330 HD13 ILE 46 HD13 ILE 46 -12.840 -6.347 0.620 331 H CYS 47 HN CYS 47 -10.470 -5.072 -2.957 332 HA CYS 47 HA CYS 47 -11.017 -5.748 -5.792 333 HB2 CYS 47 HB2 CYS 47 -9.120 -4.451 -6.331 334 HB3 CYS 47 HB1 CYS 47 -9.836 -3.597 -4.967 335 H SER 48 HN SER 48 -9.651 -7.190 -6.987 336 HA SER 48 HA SER 48 -8.639 -9.434 -5.362 337 HB2 SER 48 HB2 SER 48 -8.172 -10.327 -7.798 338 HB3 SER 48 HB1 SER 48 -9.827 -10.234 -7.210 339 HG SER 48 HG SER 48 -10.067 -9.082 -8.966 340 H LEU 49 HN LEU 49 -6.474 -10.381 -6.014 341 HA LEU 49 HA LEU 49 -4.376 -8.521 -5.614 342 HB2 LEU 49 HB2 LEU 49 -4.112 -11.186 -7.030 343 HB3 LEU 49 HB1 LEU 49 -2.866 -10.338 -6.121 344 HG LEU 49 HG LEU 49 -5.341 -11.710 -5.052 345 HD11 LEU 49 HD11 LEU 49 -3.331 -13.100 -5.314 346 HD12 LEU 49 HD12 LEU 49 -3.650 -12.822 -3.602 347 HD13 LEU 49 HD13 LEU 49 -2.379 -11.915 -4.421 348 HD21 LEU 49 HD21 LEU 49 -4.464 -10.836 -2.801 349 HD22 LEU 49 HD22 LEU 49 -5.325 -9.673 -3.808 350 HD23 LEU 49 HD23 LEU 49 -3.564 -9.655 -3.747 351 H TYR 50 HN TYR 50 -5.845 -9.800 -8.518 352 HA TYR 50 HA TYR 50 -4.142 -9.119 -10.547 353 HB2 TYR 50 HB2 TYR 50 -6.603 -10.024 -10.504 354 HB3 TYR 50 HB1 TYR 50 -7.050 -8.328 -10.695 355 HD1 TYR 50 HD2 TYR 50 -5.182 -11.122 -12.117 356 HD2 TYR 50 HD1 TYR 50 -6.692 -7.180 -12.749 357 HE1 TYR 50 HE2 TYR 50 -4.653 -11.327 -14.545 358 HE2 TYR 50 HE1 TYR 50 -6.173 -7.352 -15.178 359 HH TYR 50 HH TYR 50 -4.479 -10.190 -16.486 360 H GLN 51 HN GLN 51 -6.584 -6.943 -9.180 361 HA GLN 51 HA GLN 51 -5.710 -4.606 -10.566 362 HB2 GLN 51 HB2 GLN 51 -6.897 -4.526 -7.786 363 HB3 GLN 51 HB1 GLN 51 -7.114 -3.393 -9.117 364 HG2 GLN 51 HG2 GLN 51 -8.198 -5.301 -10.418 365 HG3 GLN 51 HG1 GLN 51 -8.230 -6.190 -8.898 366 HE21 GLN 51 HE21 GLN 51 -8.982 -2.809 -9.881 367 HE22 GLN 51 HE22 GLN 51 -10.478 -2.752 -9.085 368 H LEU 52 HN LEU 52 -4.806 -5.922 -7.393 369 HA LEU 52 HA LEU 52 -3.063 -3.786 -6.685 370 HB2 LEU 52 HB2 LEU 52 -2.951 -6.710 -5.945 371 HB3 LEU 52 HB1 LEU 52 -2.000 -5.448 -5.170 372 HG LEU 52 HG LEU 52 -5.031 -5.590 -5.244 373 HD11 LEU 52 HD11 LEU 52 -3.857 -7.205 -3.757 374 HD12 LEU 52 HD12 LEU 52 -4.844 -6.036 -2.880 375 HD13 LEU 52 HD13 LEU 52 -3.093 -5.842 -2.936 376 HD21 LEU 52 HD21 LEU 52 -4.698 -3.299 -5.086 377 HD22 LEU 52 HD22 LEU 52 -3.092 -3.478 -4.394 378 HD23 LEU 52 HD23 LEU 52 -4.517 -3.712 -3.381 379 H GLU 53 HN GLU 53 -2.714 -6.591 -8.706 380 HA GLU 53 HA GLU 53 0.142 -6.392 -9.020 381 HB2 GLU 53 HB2 GLU 53 -1.883 -8.201 -9.769 382 HB3 GLU 53 HB1 GLU 53 -1.294 -7.583 -11.309 383 HG2 GLU 53 HG2 GLU 53 1.092 -8.090 -10.197 384 HG3 GLU 53 HG1 GLU 53 0.141 -9.210 -9.224 385 H ASN 54 HN ASN 54 -2.411 -4.490 -9.997 386 HA ASN 54 HA ASN 54 -1.406 -3.613 -12.574 387 HB2 ASN 54 HB2 ASN 54 -3.828 -3.490 -11.585 388 HB3 ASN 54 HB1 ASN 54 -3.270 -2.003 -10.820 389 HD21 ASN 54 HD21 ASN 54 -5.302 -2.189 -12.936 390 HD22 ASN 54 HD22 ASN 54 -4.705 -1.322 -14.264 391 H TYR 55 HN TYR 55 -0.922 -2.678 -9.236 392 HA TYR 55 HA TYR 55 0.623 -0.264 -10.084 393 HB2 TYR 55 HB2 TYR 55 -0.032 -1.073 -7.249 394 HB3 TYR 55 HB1 TYR 55 0.359 0.526 -7.869 395 HD1 TYR 55 HD2 TYR 55 -2.187 -2.113 -7.788 396 HD2 TYR 55 HD1 TYR 55 -1.299 1.908 -8.913 397 HE1 TYR 55 HE2 TYR 55 -4.620 -1.703 -8.172 398 HE2 TYR 55 HE1 TYR 55 -3.714 2.337 -9.310 399 HH TYR 55 HH TYR 55 -6.159 0.177 -8.273 400 H CYS 56 HN CYS 56 1.282 -3.435 -9.754 401 HA CYS 56 HA CYS 56 3.613 -3.267 -7.993 402 HB2 CYS 56 HB2 CYS 56 2.570 -5.402 -9.863 403 HB3 CYS 56 HB1 CYS 56 4.083 -5.574 -8.981 404 H ASN 57 HN ASN 57 5.295 -2.035 -8.705 405 HA ASN 57 HA ASN 57 6.908 -1.133 -10.159 406 HB2 ASN 57 HB2 ASN 57 7.739 -3.442 -9.962 407 HB3 ASN 57 HB1 ASN 57 6.692 -3.940 -11.291 408 HD21 ASN 57 HD21 ASN 57 9.749 -2.486 -10.507 409 HD22 ASN 57 HD22 ASN 57 10.231 -2.145 -12.099 Start of MODEL 4 1 H1 PHE 1 HT1 PHE 1 -5.494 -11.786 3.684 2 H2 PHE 1 HT2 PHE 1 -5.289 -13.230 2.812 3 H3 PHE 1 HT3 PHE 1 -6.831 -12.530 2.952 4 HA PHE 1 HA PHE 1 -5.811 -10.514 1.805 5 HB2 PHE 1 HB2 PHE 1 -3.502 -11.619 2.121 6 HB3 PHE 1 HB1 PHE 1 -3.924 -12.649 0.764 7 HD1 PHE 1 HD2 PHE 1 -5.550 -9.817 -0.250 8 HD2 PHE 1 HD1 PHE 1 -1.564 -11.143 0.583 9 HE1 PHE 1 HE2 PHE 1 -4.665 -8.114 -1.748 10 HE2 PHE 1 HE1 PHE 1 -0.676 -9.420 -0.925 11 HZ PHE 1 HZ PHE 1 -2.217 -7.897 -2.094 12 H VAL 2 HN VAL 2 -7.838 -12.689 1.794 13 HA VAL 2 HA VAL 2 -7.946 -13.454 -1.086 14 HB VAL 2 HB VAL 2 -9.979 -14.816 -0.087 15 HG11 VAL 2 HG11 VAL 2 -7.052 -15.389 0.429 16 HG12 VAL 2 HG12 VAL 2 -8.037 -15.950 -0.923 17 HG13 VAL 2 HG13 VAL 2 -8.327 -16.579 0.699 18 HG21 VAL 2 HG21 VAL 2 -9.969 -15.173 2.239 19 HG22 VAL 2 HG22 VAL 2 -9.638 -13.446 2.131 20 HG23 VAL 2 HG23 VAL 2 -8.320 -14.577 2.424 21 H ASN 3 HN ASN 3 -10.806 -13.139 0.887 22 HA ASN 3 HA ASN 3 -11.862 -11.105 -1.018 23 HB2 ASN 3 HB2 ASN 3 -13.437 -12.695 1.016 24 HB3 ASN 3 HB1 ASN 3 -14.051 -11.836 -0.394 25 HD21 ASN 3 HD21 ASN 3 -14.373 -13.108 -2.208 26 HD22 ASN 3 HD22 ASN 3 -13.631 -14.608 -2.498 27 H GLN 4 HN GLN 4 -10.082 -10.546 1.339 28 HA GLN 4 HA GLN 4 -11.910 -9.015 3.113 29 HB2 GLN 4 HB2 GLN 4 -9.489 -8.533 4.187 30 HB3 GLN 4 HB1 GLN 4 -10.372 -10.022 4.504 31 HG2 GLN 4 HG2 GLN 4 -9.138 -11.178 2.728 32 HG3 GLN 4 HG1 GLN 4 -8.281 -9.685 2.334 33 HE21 GLN 4 HE21 GLN 4 -8.054 -12.525 4.138 34 HE22 GLN 4 HE22 GLN 4 -6.862 -12.036 5.241 35 H HIS 5 HN HIS 5 -11.389 -6.761 3.589 36 HA HIS 5 HA HIS 5 -10.693 -5.293 1.120 37 HB2 HIS 5 HB2 HIS 5 -11.463 -3.319 2.662 38 HB3 HIS 5 HB1 HIS 5 -12.670 -4.454 2.067 39 HD2 HIS 5 HD2 HIS 5 -11.123 -3.330 5.451 40 HE1 HIS 5 HE1 HIS 5 -13.740 -6.543 6.273 41 HE2 HIS 5 HE2 HIS 5 -12.317 -4.707 7.306 42 H LEU 6 HN LEU 6 -8.867 -4.100 0.881 43 HA LEU 6 HA LEU 6 -6.886 -4.071 3.111 44 HB2 LEU 6 HB2 LEU 6 -6.744 -3.889 0.120 45 HB3 LEU 6 HB1 LEU 6 -5.509 -3.061 1.035 46 HG LEU 6 HG LEU 6 -4.599 -5.031 1.890 47 HD11 LEU 6 HD11 LEU 6 -5.959 -7.270 1.565 48 HD12 LEU 6 HD12 LEU 6 -7.338 -6.178 1.556 49 HD13 LEU 6 HD13 LEU 6 -6.263 -6.231 2.951 50 HD21 LEU 6 HD21 LEU 6 -4.546 -6.653 -0.006 51 HD22 LEU 6 HD22 LEU 6 -4.207 -5.008 -0.499 52 HD23 LEU 6 HD23 LEU 6 -5.789 -5.727 -0.808 53 H CYS 7 HN CYS 7 -6.466 -2.180 4.159 54 HA CYS 7 HA CYS 7 -7.005 0.396 2.817 55 HB2 CYS 7 HB2 CYS 7 -9.032 -0.638 4.284 56 HB3 CYS 7 HB1 CYS 7 -8.153 0.184 5.570 57 H GLY 8 HN GLY 8 -5.322 1.700 3.262 58 HA2 GLY 8 HA2 GLY 8 -3.555 2.707 4.456 59 HA3 GLY 8 HA1 GLY 8 -4.181 1.941 5.916 60 H SER 9 HN SER 9 -2.122 1.247 6.632 61 HA SER 9 HA SER 9 -0.059 0.026 5.242 62 HB2 SER 9 HB2 SER 9 -1.156 -0.664 7.979 63 HB3 SER 9 HB1 SER 9 0.363 -1.299 7.355 64 HG SER 9 HG SER 9 -0.353 1.322 8.061 65 H ASP 10 HN ASP 10 -3.164 -1.438 6.120 66 HA ASP 10 HA ASP 10 -2.623 -4.154 5.723 67 HB2 ASP 10 HB2 ASP 10 -5.009 -2.420 5.142 68 HB3 ASP 10 HB1 ASP 10 -5.040 -4.099 4.618 69 H LEU 11 HN LEU 11 -3.463 -1.745 3.227 70 HA LEU 11 HA LEU 11 -3.235 -3.452 0.994 71 HB2 LEU 11 HB2 LEU 11 -4.164 -1.217 0.732 72 HB3 LEU 11 HB1 LEU 11 -2.655 -0.486 1.262 73 HG LEU 11 HG LEU 11 -1.510 -1.223 -0.729 74 HD11 LEU 11 HD11 LEU 11 -2.386 -3.406 -1.087 75 HD12 LEU 11 HD12 LEU 11 -2.834 -2.455 -2.489 76 HD13 LEU 11 HD13 LEU 11 -4.031 -2.792 -1.246 77 HD21 LEU 11 HD21 LEU 11 -2.921 0.799 -0.984 78 HD22 LEU 11 HD22 LEU 11 -4.267 -0.222 -1.494 79 HD23 LEU 11 HD23 LEU 11 -2.814 -0.117 -2.487 80 H VAL 12 HN VAL 12 -0.742 -1.259 2.330 81 HA VAL 12 HA VAL 12 1.401 -1.886 0.684 82 HB VAL 12 HB VAL 12 1.622 -1.636 3.698 83 HG11 VAL 12 HG11 VAL 12 3.839 -0.886 3.294 84 HG12 VAL 12 HG12 VAL 12 3.540 -0.667 1.572 85 HG13 VAL 12 HG13 VAL 12 3.655 -2.290 2.248 86 HG21 VAL 12 HG21 VAL 12 0.220 0.175 2.641 87 HG22 VAL 12 HG22 VAL 12 1.600 0.573 1.622 88 HG23 VAL 12 HG23 VAL 12 1.711 0.768 3.369 89 H GLU 13 HN GLU 13 0.956 -3.521 3.847 90 HA GLU 13 HA GLU 13 2.782 -5.594 3.474 91 HB2 GLU 13 HB2 GLU 13 0.055 -5.901 4.763 92 HB3 GLU 13 HB1 GLU 13 1.484 -6.887 5.076 93 HG2 GLU 13 HG2 GLU 13 2.672 -4.943 5.965 94 HG3 GLU 13 HG1 GLU 13 1.300 -3.903 5.583 95 H ALA 14 HN ALA 14 -0.338 -5.171 1.971 96 HA ALA 14 HA ALA 14 -0.439 -7.926 0.975 97 HB1 ALA 14 HB1 ALA 14 -2.231 -6.258 -0.502 98 HB2 ALA 14 HB2 ALA 14 -2.251 -5.689 1.161 99 HB3 ALA 14 HB3 ALA 14 -2.619 -7.374 0.812 100 H LEU 15 HN LEU 15 0.016 -4.700 -0.602 101 HA LEU 15 HA LEU 15 0.611 -5.697 -3.157 102 HB2 LEU 15 HB2 LEU 15 1.719 -3.307 -1.687 103 HB3 LEU 15 HB1 LEU 15 2.202 -3.678 -3.338 104 HG LEU 15 HG LEU 15 -0.738 -3.522 -2.676 105 HD11 LEU 15 HD11 LEU 15 -0.793 -1.157 -3.027 106 HD12 LEU 15 HD12 LEU 15 0.896 -1.116 -3.527 107 HD13 LEU 15 HD13 LEU 15 0.485 -1.413 -1.842 108 HD21 LEU 15 HD21 LEU 15 -0.919 -2.913 -5.014 109 HD22 LEU 15 HD22 LEU 15 0.122 -4.330 -4.913 110 HD23 LEU 15 HD23 LEU 15 0.828 -2.735 -5.150 111 H TYR 16 HN TYR 16 2.629 -5.549 -0.268 112 HA TYR 16 HA TYR 16 5.152 -6.073 -1.348 113 HB2 TYR 16 HB2 TYR 16 4.838 -5.666 1.021 114 HB3 TYR 16 HB1 TYR 16 3.943 -7.173 1.194 115 HD1 TYR 16 HD2 TYR 16 7.213 -5.998 -0.251 116 HD2 TYR 16 HD1 TYR 16 5.142 -8.990 2.019 117 HE1 TYR 16 HE2 TYR 16 9.346 -7.216 0.088 118 HE2 TYR 16 HE1 TYR 16 7.273 -10.212 2.362 119 HH TYR 16 HH TYR 16 10.257 -8.868 1.848 120 H LEU 17 HN LEU 17 2.684 -8.564 -0.496 121 HA LEU 17 HA LEU 17 4.313 -10.733 -1.503 122 HB2 LEU 17 HB2 LEU 17 1.289 -10.605 -1.287 123 HB3 LEU 17 HB1 LEU 17 2.247 -12.053 -1.505 124 HG LEU 17 HG LEU 17 3.414 -11.497 0.681 125 HD11 LEU 17 HD11 LEU 17 1.338 -9.329 0.597 126 HD12 LEU 17 HD12 LEU 17 2.983 -9.283 1.208 127 HD13 LEU 17 HD13 LEU 17 1.722 -10.055 2.155 128 HD21 LEU 17 HD21 LEU 17 1.856 -13.272 0.760 129 HD22 LEU 17 HD22 LEU 17 0.485 -12.209 0.460 130 HD23 LEU 17 HD23 LEU 17 1.288 -12.188 2.028 131 H VAL 18 HN VAL 18 1.549 -8.947 -2.846 132 HA VAL 18 HA VAL 18 1.346 -10.169 -5.350 133 HB VAL 18 HB VAL 18 1.106 -7.204 -4.791 134 HG11 VAL 18 HG11 VAL 18 -0.381 -8.880 -6.802 135 HG12 VAL 18 HG12 VAL 18 1.075 -7.970 -7.195 136 HG13 VAL 18 HG13 VAL 18 -0.367 -7.128 -6.653 137 HG21 VAL 18 HG21 VAL 18 -0.215 -8.595 -3.207 138 HG22 VAL 18 HG22 VAL 18 -0.989 -9.379 -4.583 139 HG23 VAL 18 HG23 VAL 18 -1.243 -7.660 -4.291 140 H CYS 19 HN CYS 19 3.221 -7.211 -4.677 141 HA CYS 19 HA CYS 19 4.612 -7.379 -7.220 142 HB2 CYS 19 HB2 CYS 19 5.505 -5.726 -4.865 143 HB3 CYS 19 HB1 CYS 19 5.636 -5.361 -6.580 144 H GLY 20 HN GLY 20 5.161 -8.567 -4.022 145 HA2 GLY 20 HA2 GLY 20 6.942 -9.776 -3.088 146 HA3 GLY 20 HA1 GLY 20 7.152 -10.401 -4.720 147 H GLU 21 HN GLU 21 9.212 -10.149 -5.380 148 HA GLU 21 HA GLU 21 10.963 -8.153 -4.166 149 HB2 GLU 21 HB2 GLU 21 11.386 -10.144 -6.408 150 HB3 GLU 21 HB1 GLU 21 12.656 -9.114 -5.747 151 HG2 GLU 21 HG2 GLU 21 12.321 -10.093 -3.523 152 HG3 GLU 21 HG1 GLU 21 11.006 -11.091 -4.146 153 H ARG 22 HN ARG 22 8.907 -8.233 -6.928 154 HA ARG 22 HA ARG 22 10.311 -6.588 -8.739 155 HB2 ARG 22 HB2 ARG 22 7.338 -6.594 -8.136 156 HB3 ARG 22 HB1 ARG 22 8.084 -5.909 -9.578 157 HG2 ARG 22 HG2 ARG 22 8.720 -8.015 -10.410 158 HG3 ARG 22 HG1 ARG 22 8.578 -8.791 -8.834 159 HD2 ARG 22 HD2 ARG 22 6.329 -9.167 -9.097 160 HD3 ARG 22 HD1 ARG 22 6.055 -7.591 -9.833 161 HE ARG 22 HE ARG 22 7.420 -8.990 -11.789 162 HH11 ARG 22 HH21 ARG 22 4.628 -9.510 -9.834 163 HH12 ARG 22 HH22 ARG 22 3.803 -10.453 -11.030 164 HH21 ARG 22 HH11 ARG 22 6.359 -10.215 -13.362 165 HH22 ARG 22 HH12 ARG 22 4.783 -10.852 -13.028 166 H GLY 23 HN GLY 23 8.742 -5.793 -5.711 167 HA2 GLY 23 HA2 GLY 23 8.931 -3.803 -4.462 168 HA3 GLY 23 HA1 GLY 23 9.977 -3.152 -5.729 169 H PHE 24 HN PHE 24 7.783 -1.700 -4.481 170 HA PHE 24 HA PHE 24 6.347 -0.967 -6.932 171 HB2 PHE 24 HB2 PHE 24 4.133 -1.336 -6.034 172 HB3 PHE 24 HB1 PHE 24 5.034 -2.845 -5.933 173 HD1 PHE 24 HD1 PHE 24 5.854 -3.694 -3.781 174 HD2 PHE 24 HD2 PHE 24 3.573 -0.060 -4.019 175 HE1 PHE 24 HE1 PHE 24 5.479 -3.767 -1.333 176 HE2 PHE 24 HE2 PHE 24 3.191 -0.148 -1.568 177 HZ PHE 24 HZ PHE 24 4.145 -1.996 -0.232 178 H PHE 25 HN PHE 25 4.769 0.847 -6.388 179 HA PHE 25 HA PHE 25 5.965 2.652 -4.315 180 HB2 PHE 25 HB2 PHE 25 5.171 4.507 -5.808 181 HB3 PHE 25 HB1 PHE 25 6.393 3.487 -6.570 182 HD1 PHE 25 HD1 PHE 25 2.743 4.196 -6.394 183 HD2 PHE 25 HD2 PHE 25 5.883 2.135 -8.482 184 HE1 PHE 25 HE1 PHE 25 1.161 3.653 -8.234 185 HE2 PHE 25 HE2 PHE 25 4.307 1.598 -10.320 186 HZ PHE 25 HZ PHE 25 1.950 2.356 -10.196 187 H TYR 26 HN TYR 26 4.548 3.521 -2.832 188 HA TYR 26 HA TYR 26 1.811 2.506 -2.821 189 HB2 TYR 26 HB2 TYR 26 3.336 3.086 -0.759 190 HB3 TYR 26 HB1 TYR 26 2.774 4.737 -1.019 191 HD1 TYR 26 HD1 TYR 26 1.426 1.235 -0.810 192 HD2 TYR 26 HD2 TYR 26 0.761 5.402 0.017 193 HE1 TYR 26 HE1 TYR 26 -0.710 0.689 0.323 194 HE2 TYR 26 HE2 TYR 26 -1.364 4.840 1.155 195 HH TYR 26 HH TYR 26 -2.659 3.194 1.914 196 H THR 27 HN THR 27 -0.013 4.245 -2.494 197 HA THR 27 HA THR 27 -0.078 5.814 -4.881 198 HB THR 27 HB THR 27 -2.116 5.002 -3.783 199 HG1 THR 27 HG1 THR 27 -1.928 7.822 -3.840 200 HG21 THR 27 HG21 THR 27 -1.433 7.040 -1.640 201 HG22 THR 27 HG22 THR 27 -1.414 5.292 -1.449 202 HG23 THR 27 HG23 THR 27 -2.933 6.122 -1.739 203 H ASP 28 HN ASP 28 -0.668 8.280 -4.693 204 HA ASP 28 HA ASP 28 1.580 9.723 -4.152 205 HB2 ASP 28 HB2 ASP 28 -1.094 10.329 -4.826 206 HB3 ASP 28 HB1 ASP 28 -0.735 11.363 -3.447 207 HA PRO 29 HA PRO 29 1.901 9.876 0.323 208 HB2 PRO 29 HB2 PRO 29 3.514 12.111 0.591 209 HB3 PRO 29 HB1 PRO 29 4.116 10.527 0.079 210 HG2 PRO 29 HG2 PRO 29 3.624 12.971 -1.563 211 HG3 PRO 29 HG1 PRO 29 4.781 11.659 -1.828 212 HD2 PRO 29 HD2 PRO 29 2.322 11.969 -3.185 213 HD3 PRO 29 HD1 PRO 29 3.312 10.493 -3.130 214 H THR 30 HN THR 30 0.342 12.270 -1.521 215 HA THR 30 HA THR 30 -0.053 14.407 0.245 216 HB THR 30 HB THR 30 -2.037 14.930 -1.033 217 HG1 THR 30 HG1 THR 30 -2.656 13.190 -2.594 218 HG21 THR 30 HG21 THR 30 -1.124 14.778 -3.297 219 HG22 THR 30 HG22 THR 30 -0.027 13.495 -2.790 220 HG23 THR 30 HG23 THR 30 0.174 15.127 -2.156 221 H GLY 31 HN GLY 31 -1.869 11.342 0.144 222 HA2 GLY 31 HA2 GLY 31 -3.184 10.360 1.835 223 HA3 GLY 31 HA1 GLY 31 -2.482 11.523 2.952 224 H GLY 32 HN GLY 32 -3.539 13.653 0.887 225 HA2 GLY 32 HA2 GLY 32 -6.199 13.903 2.201 226 HA3 GLY 32 HA1 GLY 32 -5.344 15.195 1.356 227 H GLY 33 HN GLY 33 -4.747 13.074 -0.779 228 HA2 GLY 33 HA2 GLY 33 -7.229 12.288 -1.973 229 HA3 GLY 33 HA1 GLY 33 -6.676 13.803 -2.694 230 HA PRO 34 HA PRO 34 -3.016 10.869 -3.590 231 HB2 PRO 34 HB2 PRO 34 -3.188 8.294 -2.551 232 HB3 PRO 34 HB1 PRO 34 -2.351 9.627 -1.754 233 HG2 PRO 34 HG2 PRO 34 -5.016 8.428 -1.148 234 HG3 PRO 34 HG1 PRO 34 -3.861 9.203 -0.050 235 HD2 PRO 34 HD2 PRO 34 -6.184 10.425 -1.006 236 HD3 PRO 34 HD1 PRO 34 -4.759 11.289 -0.391 237 H ARG 35 HN ARG 35 -2.814 8.530 -4.772 238 HA ARG 35 HA ARG 35 -4.705 8.492 -6.892 239 HB2 ARG 35 HB2 ARG 35 -2.327 7.399 -6.701 240 HB3 ARG 35 HB1 ARG 35 -3.194 6.014 -6.043 241 HG2 ARG 35 HG2 ARG 35 -4.606 5.933 -8.059 242 HG3 ARG 35 HG1 ARG 35 -3.735 7.308 -8.733 243 HD2 ARG 35 HD2 ARG 35 -1.615 5.757 -8.239 244 HD3 ARG 35 HD1 ARG 35 -2.811 4.470 -8.370 245 HE ARG 35 HE ARG 35 -1.621 5.836 -10.550 246 HH11 ARG 35 HH21 ARG 35 -4.769 4.968 -9.428 247 HH12 ARG 35 HH22 ARG 35 -5.515 5.191 -10.970 248 HH21 ARG 35 HH11 ARG 35 -2.579 6.102 -12.562 249 HH22 ARG 35 HH12 ARG 35 -4.279 5.821 -12.743 250 H ARG 36 HN ARG 36 -6.800 8.497 -5.832 251 HA ARG 36 HA ARG 36 -7.647 6.553 -3.928 252 HB2 ARG 36 HB2 ARG 36 -9.460 7.714 -6.060 253 HB3 ARG 36 HB1 ARG 36 -9.877 7.246 -4.412 254 HG2 ARG 36 HG2 ARG 36 -8.452 9.067 -3.536 255 HG3 ARG 36 HG1 ARG 36 -8.056 9.541 -5.188 256 HD2 ARG 36 HD2 ARG 36 -10.787 9.597 -3.883 257 HD3 ARG 36 HD1 ARG 36 -9.841 10.978 -4.435 258 HE ARG 36 HE ARG 36 -10.165 9.436 -6.718 259 HH11 ARG 36 HH21 ARG 36 -12.208 10.801 -4.300 260 HH12 ARG 36 HH22 ARG 36 -13.556 11.010 -5.367 261 HH21 ARG 36 HH11 ARG 36 -11.912 9.698 -8.126 262 HH22 ARG 36 HH12 ARG 36 -13.389 10.384 -7.534 263 H GLY 37 HN GLY 37 -6.626 6.166 -7.062 264 HA2 GLY 37 HA2 GLY 37 -8.411 4.131 -8.018 265 HA3 GLY 37 HA1 GLY 37 -6.778 4.416 -8.613 266 H ILE 38 HN ILE 38 -5.688 4.041 -5.784 267 HA ILE 38 HA ILE 38 -5.729 1.063 -5.881 268 HB ILE 38 HB ILE 38 -3.591 2.765 -5.869 269 HG12 ILE 38 HG12 ILE 38 -3.161 0.554 -6.474 270 HG13 ILE 38 HG11 ILE 38 -2.248 0.708 -4.991 271 HG21 ILE 38 HG21 ILE 38 -3.876 1.882 -2.982 272 HG22 ILE 38 HG22 ILE 38 -3.919 3.536 -3.582 273 HG23 ILE 38 HG23 ILE 38 -2.440 2.598 -3.701 274 HD11 ILE 38 HD11 ILE 38 -3.316 -1.245 -4.484 275 HD12 ILE 38 HD12 ILE 38 -4.659 -0.934 -5.575 276 HD13 ILE 38 HD13 ILE 38 -4.615 -0.176 -3.985 277 H VAL 39 HN VAL 39 -5.659 3.616 -3.350 278 HA VAL 39 HA VAL 39 -6.289 1.845 -1.230 279 HB VAL 39 HB VAL 39 -7.124 4.745 -1.274 280 HG11 VAL 39 HG11 VAL 39 -7.737 3.324 0.674 281 HG12 VAL 39 HG12 VAL 39 -6.596 4.596 1.112 282 HG13 VAL 39 HG13 VAL 39 -6.032 2.938 0.904 283 HG21 VAL 39 HG21 VAL 39 -4.693 5.020 -0.305 284 HG22 VAL 39 HG22 VAL 39 -4.917 4.948 -2.050 285 HG23 VAL 39 HG23 VAL 39 -4.363 3.520 -1.175 286 H GLU 40 HN GLU 40 -8.591 4.224 -2.644 287 HA GLU 40 HA GLU 40 -10.867 3.137 -1.378 288 HB2 GLU 40 HB2 GLU 40 -10.684 4.510 -4.072 289 HB3 GLU 40 HB1 GLU 40 -12.181 4.228 -3.184 290 HG2 GLU 40 HG2 GLU 40 -11.055 5.469 -1.227 291 HG3 GLU 40 HG1 GLU 40 -9.860 6.001 -2.411 292 H GLN 41 HN GLN 41 -9.545 2.343 -4.602 293 HA GLN 41 HA GLN 41 -11.494 0.568 -5.493 294 HB2 GLN 41 HB2 GLN 41 -9.369 1.227 -6.696 295 HB3 GLN 41 HB1 GLN 41 -8.523 0.011 -5.737 296 HG2 GLN 41 HG2 GLN 41 -10.082 -1.719 -6.595 297 HG3 GLN 41 HG1 GLN 41 -10.875 -0.497 -7.586 298 HE21 GLN 41 HE21 GLN 41 -10.252 -1.028 -9.671 299 HE22 GLN 41 HE22 GLN 41 -8.646 -1.213 -10.165 300 H CYS 42 HN CYS 42 -8.630 -0.391 -3.560 301 HA CYS 42 HA CYS 42 -9.843 -3.012 -3.046 302 HB2 CYS 42 HB2 CYS 42 -7.291 -1.801 -1.961 303 HB3 CYS 42 HB1 CYS 42 -7.770 -3.495 -1.872 304 H CYS 43 HN CYS 43 -9.524 0.033 -1.304 305 HA CYS 43 HA CYS 43 -10.244 -1.211 1.264 306 HB2 CYS 43 HB2 CYS 43 -8.789 0.791 1.255 307 HB3 CYS 43 HB1 CYS 43 -10.083 1.724 0.496 308 H HIS 44 HN HIS 44 -11.810 1.089 -0.988 309 HA HIS 44 HA HIS 44 -14.351 0.965 0.375 310 HB2 HIS 44 HB2 HIS 44 -13.549 2.787 -1.233 311 HB3 HIS 44 HB1 HIS 44 -13.939 1.670 -2.538 312 HD2 HIS 44 HD2 HIS 44 -15.692 4.495 -1.117 313 HE1 HIS 44 HE1 HIS 44 -18.784 1.641 -1.461 314 HE2 HIS 44 HE2 HIS 44 -18.264 4.106 -1.113 315 H SER 45 HN SER 45 -12.788 -0.971 -2.087 316 HA SER 45 HA SER 45 -15.144 -2.822 -2.054 317 HB2 SER 45 HB2 SER 45 -13.608 -2.255 -4.592 318 HB3 SER 45 HB1 SER 45 -15.160 -3.066 -4.409 319 HG SER 45 HG SER 45 -15.159 -0.565 -3.340 320 H ILE 46 HN ILE 46 -14.540 -5.041 -2.685 321 HA ILE 46 HA ILE 46 -11.883 -5.737 -1.656 322 HB ILE 46 HB ILE 46 -13.810 -7.724 -2.869 323 HG12 ILE 46 HG12 ILE 46 -15.151 -6.165 -1.388 324 HG13 ILE 46 HG11 ILE 46 -15.123 -7.838 -0.853 325 HG21 ILE 46 HG21 ILE 46 -11.729 -8.626 -2.075 326 HG22 ILE 46 HG22 ILE 46 -12.985 -9.076 -0.925 327 HG23 ILE 46 HG23 ILE 46 -11.872 -7.767 -0.541 328 HD11 ILE 46 HD11 ILE 46 -14.753 -6.135 0.981 329 HD12 ILE 46 HD12 ILE 46 -13.217 -5.745 0.214 330 HD13 ILE 46 HD13 ILE 46 -13.497 -7.364 0.850 331 H CYS 47 HN CYS 47 -10.318 -5.201 -3.198 332 HA CYS 47 HA CYS 47 -10.760 -5.973 -6.025 333 HB2 CYS 47 HB2 CYS 47 -8.852 -4.669 -6.538 334 HB3 CYS 47 HB1 CYS 47 -9.651 -3.774 -5.250 335 H SER 48 HN SER 48 -9.469 -7.525 -7.099 336 HA SER 48 HA SER 48 -8.411 -9.640 -5.364 337 HB2 SER 48 HB2 SER 48 -7.843 -10.628 -7.739 338 HB3 SER 48 HB1 SER 48 -9.520 -10.537 -7.218 339 HG SER 48 HG SER 48 -8.403 -8.321 -8.502 340 H LEU 49 HN LEU 49 -6.202 -10.566 -5.901 341 HA LEU 49 HA LEU 49 -4.163 -8.648 -5.502 342 HB2 LEU 49 HB2 LEU 49 -3.787 -11.340 -6.838 343 HB3 LEU 49 HB1 LEU 49 -2.592 -10.435 -5.913 344 HG LEU 49 HG LEU 49 -5.060 -11.853 -4.887 345 HD11 LEU 49 HD11 LEU 49 -3.433 -12.940 -3.404 346 HD12 LEU 49 HD12 LEU 49 -2.142 -11.929 -4.054 347 HD13 LEU 49 HD13 LEU 49 -2.925 -13.128 -5.083 348 HD21 LEU 49 HD21 LEU 49 -3.391 -9.711 -3.577 349 HD22 LEU 49 HD22 LEU 49 -4.296 -10.893 -2.632 350 HD23 LEU 49 HD23 LEU 49 -5.148 -9.782 -3.702 351 H TYR 50 HN TYR 50 -5.536 -10.027 -8.397 352 HA TYR 50 HA TYR 50 -3.800 -9.367 -10.410 353 HB2 TYR 50 HB2 TYR 50 -6.247 -10.320 -10.384 354 HB3 TYR 50 HB1 TYR 50 -6.720 -8.640 -10.640 355 HD1 TYR 50 HD2 TYR 50 -4.778 -11.448 -11.933 356 HD2 TYR 50 HD1 TYR 50 -6.337 -7.553 -12.724 357 HE1 TYR 50 HE2 TYR 50 -4.204 -11.724 -14.345 358 HE2 TYR 50 HE1 TYR 50 -5.774 -7.797 -15.135 359 HH TYR 50 HH TYR 50 -3.684 -10.029 -16.308 360 H GLN 51 HN GLN 51 -6.320 -7.211 -9.159 361 HA GLN 51 HA GLN 51 -5.460 -4.891 -10.582 362 HB2 GLN 51 HB2 GLN 51 -6.741 -4.775 -7.846 363 HB3 GLN 51 HB1 GLN 51 -6.935 -3.672 -9.205 364 HG2 GLN 51 HG2 GLN 51 -7.927 -5.639 -10.504 365 HG3 GLN 51 HG1 GLN 51 -8.008 -6.483 -8.961 366 HE21 GLN 51 HE21 GLN 51 -8.818 -3.185 -10.157 367 HE22 GLN 51 HE22 GLN 51 -10.328 -3.116 -9.391 368 H LEU 52 HN LEU 52 -4.617 -6.105 -7.352 369 HA LEU 52 HA LEU 52 -2.948 -3.904 -6.653 370 HB2 LEU 52 HB2 LEU 52 -2.778 -6.805 -5.829 371 HB3 LEU 52 HB1 LEU 52 -1.893 -5.493 -5.059 372 HG LEU 52 HG LEU 52 -4.914 -5.732 -5.227 373 HD11 LEU 52 HD11 LEU 52 -3.747 -7.274 -3.661 374 HD12 LEU 52 HD12 LEU 52 -4.791 -6.111 -2.845 375 HD13 LEU 52 HD13 LEU 52 -3.045 -5.872 -2.852 376 HD21 LEU 52 HD21 LEU 52 -4.656 -3.430 -5.117 377 HD22 LEU 52 HD22 LEU 52 -3.069 -3.542 -4.371 378 HD23 LEU 52 HD23 LEU 52 -4.518 -3.794 -3.397 379 H GLU 53 HN GLU 53 -2.487 -6.759 -8.578 380 HA GLU 53 HA GLU 53 0.369 -6.521 -8.831 381 HB2 GLU 53 HB2 GLU 53 -1.606 -8.385 -9.572 382 HB3 GLU 53 HB1 GLU 53 -0.991 -7.802 -11.116 383 HG2 GLU 53 HG2 GLU 53 1.375 -8.232 -9.951 384 HG3 GLU 53 HG1 GLU 53 0.429 -9.325 -8.942 385 H ASN 54 HN ASN 54 -2.183 -4.687 -9.919 386 HA ASN 54 HA ASN 54 -1.132 -3.867 -12.496 387 HB2 ASN 54 HB2 ASN 54 -3.577 -3.750 -11.561 388 HB3 ASN 54 HB1 ASN 54 -3.055 -2.233 -10.829 389 HD21 ASN 54 HD21 ASN 54 -5.037 -2.523 -12.989 390 HD22 ASN 54 HD22 ASN 54 -4.424 -1.683 -14.327 391 H TYR 55 HN TYR 55 -0.738 -2.833 -9.172 392 HA TYR 55 HA TYR 55 0.779 -0.413 -10.050 393 HB2 TYR 55 HB2 TYR 55 0.105 -1.196 -7.212 394 HB3 TYR 55 HB1 TYR 55 0.494 0.401 -7.841 395 HD1 TYR 55 HD2 TYR 55 -2.032 -2.253 -7.758 396 HD2 TYR 55 HD1 TYR 55 -1.154 1.749 -8.955 397 HE1 TYR 55 HE2 TYR 55 -4.455 -1.876 -8.209 398 HE2 TYR 55 HE1 TYR 55 -3.561 2.145 -9.421 399 HH TYR 55 HH TYR 55 -5.580 1.197 -9.602 400 H CYS 56 HN CYS 56 1.497 -3.573 -9.635 401 HA CYS 56 HA CYS 56 3.843 -3.288 -7.898 402 HB2 CYS 56 HB2 CYS 56 2.870 -5.530 -9.686 403 HB3 CYS 56 HB1 CYS 56 4.342 -5.623 -8.729 404 H ASN 57 HN ASN 57 5.538 -2.116 -8.684 405 HA ASN 57 HA ASN 57 7.122 -1.275 -10.207 406 HB2 ASN 57 HB2 ASN 57 7.977 -3.550 -10.024 407 HB3 ASN 57 HB1 ASN 57 6.805 -4.120 -11.213 408 HD21 ASN 57 HD21 ASN 57 9.909 -2.580 -10.815 409 HD22 ASN 57 HD22 ASN 57 10.241 -2.367 -12.466 Start of MODEL 5 1 H1 PHE 1 HT1 PHE 1 -5.488 -12.104 3.433 2 H2 PHE 1 HT2 PHE 1 -5.074 -13.471 2.514 3 H3 PHE 1 HT3 PHE 1 -6.691 -12.955 2.594 4 HA PHE 1 HA PHE 1 -5.721 -10.757 1.637 5 HB2 PHE 1 HB2 PHE 1 -3.403 -11.845 1.831 6 HB3 PHE 1 HB1 PHE 1 -3.851 -12.831 0.451 7 HD1 PHE 1 HD2 PHE 1 -5.512 -9.926 -0.370 8 HD2 PHE 1 HD1 PHE 1 -1.513 -11.354 0.201 9 HE1 PHE 1 HE2 PHE 1 -4.671 -8.172 -1.836 10 HE2 PHE 1 HE1 PHE 1 -0.670 -9.579 -1.273 11 HZ PHE 1 HZ PHE 1 -2.240 -7.979 -2.294 12 H VAL 2 HN VAL 2 -7.760 -12.897 1.523 13 HA VAL 2 HA VAL 2 -7.908 -13.540 -1.379 14 HB VAL 2 HB VAL 2 -10.001 -14.846 -0.420 15 HG11 VAL 2 HG11 VAL 2 -7.121 -15.598 0.150 16 HG12 VAL 2 HG12 VAL 2 -8.041 -15.976 -1.306 17 HG13 VAL 2 HG13 VAL 2 -8.475 -16.725 0.231 18 HG21 VAL 2 HG21 VAL 2 -8.326 -14.759 2.091 19 HG22 VAL 2 HG22 VAL 2 -10.000 -15.278 1.894 20 HG23 VAL 2 HG23 VAL 2 -9.597 -13.564 1.840 21 H ASN 3 HN ASN 3 -10.748 -13.168 0.606 22 HA ASN 3 HA ASN 3 -11.717 -11.012 -1.213 23 HB2 ASN 3 HB2 ASN 3 -13.366 -12.690 0.688 24 HB3 ASN 3 HB1 ASN 3 -13.940 -11.712 -0.660 25 HD21 ASN 3 HD21 ASN 3 -14.218 -12.801 -2.599 26 HD22 ASN 3 HD22 ASN 3 -13.539 -14.309 -2.979 27 H GLN 4 HN GLN 4 -9.954 -10.633 1.167 28 HA GLN 4 HA GLN 4 -11.751 -9.187 3.036 29 HB2 GLN 4 HB2 GLN 4 -9.318 -8.792 4.108 30 HB3 GLN 4 HB1 GLN 4 -10.210 -10.289 4.350 31 HG2 GLN 4 HG2 GLN 4 -9.004 -11.355 2.504 32 HG3 GLN 4 HG1 GLN 4 -8.148 -9.847 2.171 33 HE21 GLN 4 HE21 GLN 4 -7.930 -12.772 3.860 34 HE22 GLN 4 HE22 GLN 4 -6.703 -12.343 4.949 35 H HIS 5 HN HIS 5 -11.171 -6.970 3.648 36 HA HIS 5 HA HIS 5 -10.495 -5.369 1.256 37 HB2 HIS 5 HB2 HIS 5 -11.265 -3.477 2.784 38 HB3 HIS 5 HB1 HIS 5 -12.487 -4.677 2.376 39 HD2 HIS 5 HD2 HIS 5 -13.123 -6.502 4.532 40 HE1 HIS 5 HE1 HIS 5 -11.156 -4.231 7.502 41 HE2 HIS 5 HE2 HIS 5 -12.750 -6.167 7.083 42 H LEU 6 HN LEU 6 -8.655 -4.189 1.065 43 HA LEU 6 HA LEU 6 -6.647 -4.312 3.267 44 HB2 LEU 6 HB2 LEU 6 -6.545 -3.950 0.291 45 HB3 LEU 6 HB1 LEU 6 -5.280 -3.211 1.239 46 HG LEU 6 HG LEU 6 -4.373 -5.245 1.907 47 HD11 LEU 6 HD11 LEU 6 -6.016 -6.455 2.995 48 HD12 LEU 6 HD12 LEU 6 -5.792 -7.436 1.555 49 HD13 LEU 6 HD13 LEU 6 -7.151 -6.323 1.655 50 HD21 LEU 6 HD21 LEU 6 -4.102 -5.114 -0.496 51 HD22 LEU 6 HD22 LEU 6 -5.714 -5.786 -0.758 52 HD23 LEU 6 HD23 LEU 6 -4.456 -6.774 -0.065 53 H CYS 7 HN CYS 7 -6.179 -2.483 4.411 54 HA CYS 7 HA CYS 7 -6.724 0.167 3.211 55 HB2 CYS 7 HB2 CYS 7 -8.694 -0.923 4.721 56 HB3 CYS 7 HB1 CYS 7 -7.751 -0.158 5.997 57 H GLY 8 HN GLY 8 -5.014 1.440 3.645 58 HA2 GLY 8 HA2 GLY 8 -3.190 2.379 4.809 59 HA3 GLY 8 HA1 GLY 8 -3.747 1.533 6.252 60 H SER 9 HN SER 9 -1.634 0.814 6.813 61 HA SER 9 HA SER 9 0.336 -0.342 5.243 62 HB2 SER 9 HB2 SER 9 -0.586 -1.224 7.992 63 HB3 SER 9 HB1 SER 9 0.923 -1.735 7.243 64 HG SER 9 HG SER 9 1.535 0.450 7.150 65 H ASP 10 HN ASP 10 -2.724 -1.826 6.214 66 HA ASP 10 HA ASP 10 -2.251 -4.525 5.680 67 HB2 ASP 10 HB2 ASP 10 -4.626 -2.734 5.220 68 HB3 ASP 10 HB1 ASP 10 -4.701 -4.414 4.706 69 H LEU 11 HN LEU 11 -3.155 -2.006 3.318 70 HA LEU 11 HA LEU 11 -3.040 -3.625 1.011 71 HB2 LEU 11 HB2 LEU 11 -3.951 -1.368 0.878 72 HB3 LEU 11 HB1 LEU 11 -2.409 -0.678 1.369 73 HG LEU 11 HG LEU 11 -1.362 -1.365 -0.696 74 HD11 LEU 11 HD11 LEU 11 -3.939 -2.859 -1.154 75 HD12 LEU 11 HD12 LEU 11 -2.300 -3.509 -1.108 76 HD13 LEU 11 HD13 LEU 11 -2.804 -2.491 -2.444 77 HD21 LEU 11 HD21 LEU 11 -4.121 -0.267 -1.302 78 HD22 LEU 11 HD22 LEU 11 -2.709 -0.152 -2.351 79 HD23 LEU 11 HD23 LEU 11 -2.730 0.700 -0.807 80 H VAL 12 HN VAL 12 -0.466 -1.511 2.327 81 HA VAL 12 HA VAL 12 1.598 -2.101 0.571 82 HB VAL 12 HB VAL 12 1.968 -2.000 3.576 83 HG11 VAL 12 HG11 VAL 12 3.908 -2.548 1.951 84 HG12 VAL 12 HG12 VAL 12 4.155 -1.232 3.095 85 HG13 VAL 12 HG13 VAL 12 3.755 -0.874 1.417 86 HG21 VAL 12 HG21 VAL 12 1.608 0.245 1.571 87 HG22 VAL 12 HG22 VAL 12 2.150 0.472 3.232 88 HG23 VAL 12 HG23 VAL 12 0.530 -0.142 2.910 89 H GLU 13 HN GLU 13 1.252 -3.856 3.678 90 HA GLU 13 HA GLU 13 3.031 -5.937 3.155 91 HB2 GLU 13 HB2 GLU 13 0.352 -6.168 4.560 92 HB3 GLU 13 HB1 GLU 13 1.690 -7.308 4.708 93 HG2 GLU 13 HG2 GLU 13 3.125 -5.437 5.552 94 HG3 GLU 13 HG1 GLU 13 1.705 -4.390 5.529 95 H ALA 14 HN ALA 14 -0.184 -5.453 1.842 96 HA ALA 14 HA ALA 14 -0.334 -8.150 0.726 97 HB1 ALA 14 HB1 ALA 14 -2.118 -5.912 1.060 98 HB2 ALA 14 HB2 ALA 14 -2.513 -7.576 0.650 99 HB3 ALA 14 HB3 ALA 14 -2.158 -6.410 -0.628 100 H LEU 15 HN LEU 15 0.087 -4.874 -0.758 101 HA LEU 15 HA LEU 15 0.569 -5.779 -3.364 102 HB2 LEU 15 HB2 LEU 15 1.771 -3.457 -1.862 103 HB3 LEU 15 HB1 LEU 15 2.183 -3.781 -3.542 104 HG LEU 15 HG LEU 15 -0.726 -3.604 -2.761 105 HD11 LEU 15 HD11 LEU 15 0.568 -1.539 -1.912 106 HD12 LEU 15 HD12 LEU 15 -0.759 -1.230 -3.027 107 HD13 LEU 15 HD13 LEU 15 0.904 -1.193 -3.606 108 HD21 LEU 15 HD21 LEU 15 0.004 -4.351 -5.050 109 HD22 LEU 15 HD22 LEU 15 0.772 -2.783 -5.266 110 HD23 LEU 15 HD23 LEU 15 -0.975 -2.889 -5.070 111 H TYR 16 HN TYR 16 2.728 -5.734 -0.572 112 HA TYR 16 HA TYR 16 5.187 -6.260 -1.773 113 HB2 TYR 16 HB2 TYR 16 4.982 -5.942 0.620 114 HB3 TYR 16 HB1 TYR 16 4.066 -7.438 0.774 115 HD1 TYR 16 HD2 TYR 16 7.296 -6.264 -0.759 116 HD2 TYR 16 HD1 TYR 16 5.263 -9.309 1.476 117 HE1 TYR 16 HE2 TYR 16 9.418 -7.531 -0.555 118 HE2 TYR 16 HE1 TYR 16 7.382 -10.580 1.683 119 HH TYR 16 HH TYR 16 10.442 -9.213 0.677 120 H LEU 17 HN LEU 17 2.720 -8.752 -0.917 121 HA LEU 17 HA LEU 17 4.284 -10.896 -2.079 122 HB2 LEU 17 HB2 LEU 17 1.273 -10.769 -1.730 123 HB3 LEU 17 HB1 LEU 17 2.223 -12.208 -2.022 124 HG LEU 17 HG LEU 17 3.470 -11.707 0.132 125 HD11 LEU 17 HD11 LEU 17 1.404 -9.535 0.172 126 HD12 LEU 17 HD12 LEU 17 3.060 -9.520 0.752 127 HD13 LEU 17 HD13 LEU 17 1.811 -10.311 1.699 128 HD21 LEU 17 HD21 LEU 17 1.404 -12.443 1.540 129 HD22 LEU 17 HD22 LEU 17 1.918 -13.489 0.218 130 HD23 LEU 17 HD23 LEU 17 0.535 -12.420 0.006 131 H VAL 18 HN VAL 18 1.470 -9.047 -3.212 132 HA VAL 18 HA VAL 18 1.140 -10.171 -5.747 133 HB VAL 18 HB VAL 18 0.928 -7.239 -5.041 134 HG11 VAL 18 HG11 VAL 18 0.829 -7.602 -7.404 135 HG12 VAL 18 HG12 VAL 18 -0.790 -7.247 -6.824 136 HG13 VAL 18 HG13 VAL 18 -0.332 -8.905 -7.208 137 HG21 VAL 18 HG21 VAL 18 -1.167 -9.413 -4.929 138 HG22 VAL 18 HG22 VAL 18 -1.403 -7.714 -4.523 139 HG23 VAL 18 HG23 VAL 18 -0.363 -8.724 -3.521 140 H CYS 19 HN CYS 19 3.052 -7.238 -5.057 141 HA CYS 19 HA CYS 19 4.301 -7.302 -7.680 142 HB2 CYS 19 HB2 CYS 19 5.281 -5.736 -5.296 143 HB3 CYS 19 HB1 CYS 19 5.396 -5.321 -7.000 144 H GLY 20 HN GLY 20 5.025 -8.608 -4.553 145 HA2 GLY 20 HA2 GLY 20 6.834 -9.889 -3.786 146 HA3 GLY 20 HA1 GLY 20 7.013 -10.375 -5.469 147 H GLU 21 HN GLU 21 9.164 -10.171 -5.883 148 HA GLU 21 HA GLU 21 10.808 -8.102 -4.684 149 HB2 GLU 21 HB2 GLU 21 11.310 -10.071 -6.929 150 HB3 GLU 21 HB1 GLU 21 12.540 -8.977 -6.295 151 HG2 GLU 21 HG2 GLU 21 12.086 -9.942 -4.003 152 HG3 GLU 21 HG1 GLU 21 11.069 -11.152 -4.787 153 H ARG 22 HN ARG 22 8.721 -8.161 -7.384 154 HA ARG 22 HA ARG 22 10.064 -6.503 -9.232 155 HB2 ARG 22 HB2 ARG 22 7.112 -6.378 -8.551 156 HB3 ARG 22 HB1 ARG 22 7.864 -5.882 -10.065 157 HG2 ARG 22 HG2 ARG 22 8.419 -8.131 -10.647 158 HG3 ARG 22 HG1 ARG 22 8.102 -8.712 -9.022 159 HD2 ARG 22 HD2 ARG 22 5.909 -9.058 -9.498 160 HD3 ARG 22 HD1 ARG 22 5.710 -7.417 -10.086 161 HE ARG 22 HE ARG 22 5.817 -9.773 -11.687 162 HH11 ARG 22 HH21 ARG 22 7.277 -6.647 -11.556 163 HH12 ARG 22 HH22 ARG 22 7.675 -6.627 -13.240 164 HH21 ARG 22 HH11 ARG 22 6.323 -9.752 -13.873 165 HH22 ARG 22 HH12 ARG 22 7.135 -8.380 -14.550 166 H GLY 23 HN GLY 23 8.610 -5.753 -6.144 167 HA2 GLY 23 HA2 GLY 23 8.841 -3.784 -4.869 168 HA3 GLY 23 HA1 GLY 23 9.833 -3.107 -6.165 169 H PHE 24 HN PHE 24 7.668 -1.709 -4.795 170 HA PHE 24 HA PHE 24 6.153 -0.915 -7.179 171 HB2 PHE 24 HB2 PHE 24 3.966 -1.317 -6.225 172 HB3 PHE 24 HB1 PHE 24 4.871 -2.828 -6.205 173 HD1 PHE 24 HD1 PHE 24 5.717 -3.774 -4.120 174 HD2 PHE 24 HD2 PHE 24 3.501 -0.091 -4.138 175 HE1 PHE 24 HE1 PHE 24 5.412 -3.943 -1.667 176 HE2 PHE 24 HE2 PHE 24 3.191 -0.275 -1.683 177 HZ PHE 24 HZ PHE 24 4.145 -2.195 -0.453 178 H PHE 25 HN PHE 25 4.594 0.885 -6.536 179 HA PHE 25 HA PHE 25 5.871 2.628 -4.458 180 HB2 PHE 25 HB2 PHE 25 4.998 4.523 -5.858 181 HB3 PHE 25 HB1 PHE 25 6.197 3.537 -6.696 182 HD1 PHE 25 HD1 PHE 25 2.565 4.259 -6.385 183 HD2 PHE 25 HD2 PHE 25 5.611 2.191 -8.602 184 HE1 PHE 25 HE1 PHE 25 0.917 3.761 -8.181 185 HE2 PHE 25 HE2 PHE 25 3.971 1.698 -10.395 186 HZ PHE 25 HZ PHE 25 1.628 2.482 -10.185 187 H TYR 26 HN TYR 26 4.538 3.381 -2.857 188 HA TYR 26 HA TYR 26 1.806 2.398 -2.752 189 HB2 TYR 26 HB2 TYR 26 3.415 2.954 -0.749 190 HB3 TYR 26 HB1 TYR 26 2.843 4.609 -0.967 191 HD1 TYR 26 HD1 TYR 26 1.478 1.113 -0.799 192 HD2 TYR 26 HD2 TYR 26 0.904 5.253 0.203 193 HE1 TYR 26 HE1 TYR 26 -0.617 0.550 0.406 194 HE2 TYR 26 HE2 TYR 26 -1.177 4.677 1.413 195 HH TYR 26 HH TYR 26 -2.330 1.307 1.576 196 H THR 27 HN THR 27 -0.001 4.164 -2.305 197 HA THR 27 HA THR 27 -0.180 5.718 -4.691 198 HB THR 27 HB THR 27 -2.174 4.982 -3.483 199 HG1 THR 27 HG1 THR 27 -1.890 7.795 -3.517 200 HG21 THR 27 HG21 THR 27 -1.310 6.974 -1.367 201 HG22 THR 27 HG22 THR 27 -1.303 5.222 -1.194 202 HG23 THR 27 HG23 THR 27 -2.828 6.077 -1.378 203 H ASP 28 HN ASP 28 -0.688 8.204 -4.494 204 HA ASP 28 HA ASP 28 1.631 9.576 -4.127 205 HB2 ASP 28 HB2 ASP 28 -1.079 10.269 -4.572 206 HB3 ASP 28 HB1 ASP 28 -0.531 11.330 -3.279 207 HA PRO 29 HA PRO 29 2.298 9.746 0.309 208 HB2 PRO 29 HB2 PRO 29 4.037 11.899 0.418 209 HB3 PRO 29 HB1 PRO 29 4.519 10.278 -0.107 210 HG2 PRO 29 HG2 PRO 29 4.024 12.718 -1.755 211 HG3 PRO 29 HG1 PRO 29 5.099 11.351 -2.076 212 HD2 PRO 29 HD2 PRO 29 2.573 11.747 -3.267 213 HD3 PRO 29 HD1 PRO 29 3.487 10.222 -3.237 214 H THR 30 HN THR 30 0.728 12.182 -1.463 215 HA THR 30 HA THR 30 0.563 14.364 0.287 216 HB THR 30 HB THR 30 -1.491 14.952 -0.855 217 HG1 THR 30 HG1 THR 30 -1.646 12.579 -2.246 218 HG21 THR 30 HG21 THR 30 -0.747 14.712 -3.183 219 HG22 THR 30 HG22 THR 30 0.357 13.422 -2.710 220 HG23 THR 30 HG23 THR 30 0.628 15.067 -2.138 221 H GLY 31 HN GLY 31 -1.381 11.382 0.361 222 HA2 GLY 31 HA2 GLY 31 -2.608 10.467 2.147 223 HA3 GLY 31 HA1 GLY 31 -1.769 11.599 3.203 224 H GLY 32 HN GLY 32 -2.893 13.774 1.217 225 HA2 GLY 32 HA2 GLY 32 -5.427 14.137 2.738 226 HA3 GLY 32 HA1 GLY 32 -4.592 15.390 1.816 227 H GLY 33 HN GLY 33 -4.291 13.106 -0.278 228 HA2 GLY 33 HA2 GLY 33 -6.875 12.462 -1.284 229 HA3 GLY 33 HA1 GLY 33 -6.317 13.943 -2.071 230 HA PRO 34 HA PRO 34 -2.857 10.842 -3.167 231 HB2 PRO 34 HB2 PRO 34 -3.110 8.268 -2.127 232 HB3 PRO 34 HB1 PRO 34 -2.142 9.547 -1.392 233 HG2 PRO 34 HG2 PRO 34 -4.814 8.497 -0.594 234 HG3 PRO 34 HG1 PRO 34 -3.550 9.224 0.416 235 HD2 PRO 34 HD2 PRO 34 -5.877 10.546 -0.397 236 HD3 PRO 34 HD1 PRO 34 -4.380 11.346 0.125 237 H ARG 35 HN ARG 35 -2.836 8.520 -4.367 238 HA ARG 35 HA ARG 35 -4.855 8.580 -6.376 239 HB2 ARG 35 HB2 ARG 35 -2.489 7.447 -6.345 240 HB3 ARG 35 HB1 ARG 35 -3.339 6.063 -5.665 241 HG2 ARG 35 HG2 ARG 35 -4.853 6.019 -7.594 242 HG3 ARG 35 HG1 ARG 35 -4.043 7.424 -8.284 243 HD2 ARG 35 HD2 ARG 35 -1.879 5.882 -7.978 244 HD3 ARG 35 HD1 ARG 35 -3.069 4.586 -8.071 245 HE ARG 35 HE ARG 35 -2.040 6.031 -10.281 246 HH11 ARG 35 HH21 ARG 35 -5.103 5.106 -8.977 247 HH12 ARG 35 HH22 ARG 35 -5.952 5.373 -10.459 248 HH21 ARG 35 HH11 ARG 35 -3.135 6.354 -12.213 249 HH22 ARG 35 HH12 ARG 35 -4.842 6.067 -12.288 250 H ARG 36 HN ARG 36 -6.879 8.609 -5.176 251 HA ARG 36 HA ARG 36 -7.651 6.613 -3.297 252 HB2 ARG 36 HB2 ARG 36 -10.034 7.237 -4.205 253 HB3 ARG 36 HB1 ARG 36 -9.085 8.474 -3.379 254 HG2 ARG 36 HG2 ARG 36 -8.482 9.543 -5.386 255 HG3 ARG 36 HG1 ARG 36 -8.868 8.128 -6.364 256 HD2 ARG 36 HD2 ARG 36 -11.251 8.437 -5.948 257 HD3 ARG 36 HD1 ARG 36 -10.917 9.769 -4.844 258 HE ARG 36 HE ARG 36 -9.726 10.553 -7.226 259 HH11 ARG 36 HH21 ARG 36 -12.838 9.480 -6.202 260 HH12 ARG 36 HH22 ARG 36 -13.694 10.391 -7.400 261 HH21 ARG 36 HH11 ARG 36 -10.826 11.750 -8.797 262 HH22 ARG 36 HH12 ARG 36 -12.555 11.676 -8.870 263 H GLY 37 HN GLY 37 -6.743 6.191 -6.437 264 HA2 GLY 37 HA2 GLY 37 -8.732 4.272 -7.307 265 HA3 GLY 37 HA1 GLY 37 -7.168 4.556 -8.068 266 H ILE 38 HN ILE 38 -5.856 4.087 -5.312 267 HA ILE 38 HA ILE 38 -5.886 1.115 -5.544 268 HB ILE 38 HB ILE 38 -3.754 2.816 -5.597 269 HG12 ILE 38 HG12 ILE 38 -3.378 0.617 -6.288 270 HG13 ILE 38 HG11 ILE 38 -2.358 0.744 -4.874 271 HG21 ILE 38 HG21 ILE 38 -3.963 3.511 -3.265 272 HG22 ILE 38 HG22 ILE 38 -2.480 2.603 -3.508 273 HG23 ILE 38 HG23 ILE 38 -3.855 1.838 -2.728 274 HD11 ILE 38 HD11 ILE 38 -4.821 -0.879 -5.302 275 HD12 ILE 38 HD12 ILE 38 -4.620 -0.174 -3.700 276 HD13 ILE 38 HD13 ILE 38 -3.386 -1.234 -4.352 277 H VAL 39 HN VAL 39 -5.686 3.569 -2.930 278 HA VAL 39 HA VAL 39 -6.178 1.711 -0.844 279 HB VAL 39 HB VAL 39 -7.021 4.608 -0.726 280 HG11 VAL 39 HG11 VAL 39 -5.777 2.735 1.310 281 HG12 VAL 39 HG12 VAL 39 -7.500 3.094 1.197 282 HG13 VAL 39 HG13 VAL 39 -6.358 4.372 1.614 283 HG21 VAL 39 HG21 VAL 39 -4.530 4.853 0.104 284 HG22 VAL 39 HG22 VAL 39 -4.867 4.871 -1.623 285 HG23 VAL 39 HG23 VAL 39 -4.255 3.402 -0.863 286 H GLU 40 HN GLU 40 -8.548 4.136 -2.040 287 HA GLU 40 HA GLU 40 -10.764 3.027 -0.703 288 HB2 GLU 40 HB2 GLU 40 -10.826 4.355 -3.424 289 HB3 GLU 40 HB1 GLU 40 -12.156 4.244 -2.271 290 HG2 GLU 40 HG2 GLU 40 -10.638 5.470 -0.616 291 HG3 GLU 40 HG1 GLU 40 -9.583 5.809 -1.988 292 H GLN 41 HN GLN 41 -9.670 2.333 -4.041 293 HA GLN 41 HA GLN 41 -11.646 0.567 -4.852 294 HB2 GLN 41 HB2 GLN 41 -9.563 1.264 -6.131 295 HB3 GLN 41 HB1 GLN 41 -8.704 -0.025 -5.286 296 HG2 GLN 41 HG2 GLN 41 -9.448 -1.005 -7.327 297 HG3 GLN 41 HG1 GLN 41 -10.583 -1.577 -6.108 298 HE21 GLN 41 HE21 GLN 41 -12.457 -1.758 -7.368 299 HE22 GLN 41 HE22 GLN 41 -13.172 -0.450 -8.166 300 H CYS 42 HN CYS 42 -8.674 -0.458 -3.127 301 HA CYS 42 HA CYS 42 -9.880 -3.081 -2.609 302 HB2 CYS 42 HB2 CYS 42 -7.249 -1.938 -1.648 303 HB3 CYS 42 HB1 CYS 42 -7.742 -3.630 -1.610 304 H CYS 43 HN CYS 43 -9.442 -0.086 -0.808 305 HA CYS 43 HA CYS 43 -10.003 -1.398 1.767 306 HB2 CYS 43 HB2 CYS 43 -8.557 0.605 1.750 307 HB3 CYS 43 HB1 CYS 43 -9.878 1.555 1.063 308 H HIS 44 HN HIS 44 -11.692 0.940 -0.342 309 HA HIS 44 HA HIS 44 -14.153 0.775 1.175 310 HB2 HIS 44 HB2 HIS 44 -13.464 2.706 -0.306 311 HB3 HIS 44 HB1 HIS 44 -13.823 1.683 -1.694 312 HD2 HIS 44 HD2 HIS 44 -15.654 4.338 -0.063 313 HE1 HIS 44 HE1 HIS 44 -18.663 1.431 -0.635 314 HE2 HIS 44 HE2 HIS 44 -18.214 3.876 -0.097 315 H SER 45 HN SER 45 -12.754 -1.036 -1.475 316 HA SER 45 HA SER 45 -15.157 -2.826 -1.445 317 HB2 SER 45 HB2 SER 45 -13.724 -2.169 -4.017 318 HB3 SER 45 HB1 SER 45 -15.311 -2.898 -3.796 319 HG SER 45 HG SER 45 -15.638 -0.713 -2.617 320 H ILE 46 HN ILE 46 -14.663 -5.015 -2.197 321 HA ILE 46 HA ILE 46 -11.999 -5.873 -1.340 322 HB ILE 46 HB ILE 46 -14.092 -7.639 -2.621 323 HG12 ILE 46 HG12 ILE 46 -15.292 -6.267 -0.970 324 HG13 ILE 46 HG11 ILE 46 -15.121 -7.920 -0.389 325 HG21 ILE 46 HG21 ILE 46 -11.923 -8.641 -2.061 326 HG22 ILE 46 HG22 ILE 46 -13.197 -9.274 -1.020 327 HG23 ILE 46 HG23 ILE 46 -12.073 -8.065 -0.399 328 HD11 ILE 46 HD11 ILE 46 -13.447 -5.533 0.432 329 HD12 ILE 46 HD12 ILE 46 -13.102 -7.190 0.924 330 HD13 ILE 46 HD13 ILE 46 -14.596 -6.411 1.434 331 H CYS 47 HN CYS 47 -10.465 -5.267 -2.896 332 HA CYS 47 HA CYS 47 -11.020 -5.848 -5.753 333 HB2 CYS 47 HB2 CYS 47 -9.144 -4.511 -6.261 334 HB3 CYS 47 HB1 CYS 47 -9.859 -3.708 -4.866 335 H SER 48 HN SER 48 -9.710 -7.291 -6.980 336 HA SER 48 HA SER 48 -8.649 -9.543 -5.416 337 HB2 SER 48 HB2 SER 48 -8.166 -10.385 -7.857 338 HB3 SER 48 HB1 SER 48 -9.830 -10.293 -7.294 339 HG SER 48 HG SER 48 -9.895 -9.208 -9.160 340 H LEU 49 HN LEU 49 -6.473 -10.451 -6.073 341 HA LEU 49 HA LEU 49 -4.392 -8.574 -5.632 342 HB2 LEU 49 HB2 LEU 49 -4.118 -11.219 -7.087 343 HB3 LEU 49 HB1 LEU 49 -2.864 -10.372 -6.189 344 HG LEU 49 HG LEU 49 -5.314 -11.770 -5.095 345 HD11 LEU 49 HD11 LEU 49 -3.675 -13.001 -3.782 346 HD12 LEU 49 HD12 LEU 49 -2.375 -11.963 -4.368 347 HD13 LEU 49 HD13 LEU 49 -3.193 -13.064 -5.478 348 HD21 LEU 49 HD21 LEU 49 -5.283 -9.755 -3.819 349 HD22 LEU 49 HD22 LEU 49 -3.522 -9.723 -3.796 350 HD23 LEU 49 HD23 LEU 49 -4.393 -10.926 -2.847 351 H TYR 50 HN TYR 50 -5.887 -9.804 -8.526 352 HA TYR 50 HA TYR 50 -4.221 -9.118 -10.583 353 HB2 TYR 50 HB2 TYR 50 -6.701 -9.986 -10.475 354 HB3 TYR 50 HB1 TYR 50 -7.119 -8.283 -10.665 355 HD1 TYR 50 HD2 TYR 50 -5.323 -11.117 -12.113 356 HD2 TYR 50 HD1 TYR 50 -6.801 -7.160 -12.734 357 HE1 TYR 50 HE2 TYR 50 -4.868 -11.348 -14.553 358 HE2 TYR 50 HE1 TYR 50 -6.356 -7.359 -15.176 359 HH TYR 50 HH TYR 50 -5.647 -8.688 -16.812 360 H GLN 51 HN GLN 51 -6.619 -6.933 -9.159 361 HA GLN 51 HA GLN 51 -5.739 -4.592 -10.530 362 HB2 GLN 51 HB2 GLN 51 -6.911 -4.534 -7.743 363 HB3 GLN 51 HB1 GLN 51 -7.125 -3.381 -9.058 364 HG2 GLN 51 HG2 GLN 51 -8.236 -5.252 -10.377 365 HG3 GLN 51 HG1 GLN 51 -8.252 -6.176 -8.878 366 HE21 GLN 51 HE21 GLN 51 -8.976 -2.754 -9.723 367 HE22 GLN 51 HE22 GLN 51 -10.472 -2.717 -8.926 368 H LEU 52 HN LEU 52 -4.827 -5.939 -7.372 369 HA LEU 52 HA LEU 52 -3.064 -3.823 -6.646 370 HB2 LEU 52 HB2 LEU 52 -2.969 -6.758 -5.950 371 HB3 LEU 52 HB1 LEU 52 -2.005 -5.516 -5.159 372 HG LEU 52 HG LEU 52 -5.037 -5.646 -5.218 373 HD11 LEU 52 HD11 LEU 52 -4.839 -6.134 -2.866 374 HD12 LEU 52 HD12 LEU 52 -3.090 -5.917 -2.918 375 HD13 LEU 52 HD13 LEU 52 -3.840 -7.277 -3.760 376 HD21 LEU 52 HD21 LEU 52 -4.517 -3.790 -3.337 377 HD22 LEU 52 HD22 LEU 52 -4.698 -3.356 -5.034 378 HD23 LEU 52 HD23 LEU 52 -3.092 -3.544 -4.347 379 H GLU 53 HN GLU 53 -2.817 -6.487 -8.811 380 HA GLU 53 HA GLU 53 0.063 -6.357 -9.130 381 HB2 GLU 53 HB2 GLU 53 -1.952 -8.170 -9.803 382 HB3 GLU 53 HB1 GLU 53 -1.494 -7.515 -11.372 383 HG2 GLU 53 HG2 GLU 53 0.497 -8.625 -9.371 384 HG3 GLU 53 HG1 GLU 53 -0.209 -9.572 -10.667 385 H ASN 54 HN ASN 54 -2.471 -4.407 -10.016 386 HA ASN 54 HA ASN 54 -1.484 -3.521 -12.608 387 HB2 ASN 54 HB2 ASN 54 -3.918 -3.459 -11.587 388 HB3 ASN 54 HB1 ASN 54 -3.391 -1.927 -10.891 389 HD21 ASN 54 HD21 ASN 54 -5.452 -2.111 -12.895 390 HD22 ASN 54 HD22 ASN 54 -4.888 -1.347 -14.299 391 H TYR 55 HN TYR 55 -0.995 -2.616 -9.262 392 HA TYR 55 HA TYR 55 0.410 -0.112 -10.082 393 HB2 TYR 55 HB2 TYR 55 -0.120 -1.070 -7.267 394 HB3 TYR 55 HB1 TYR 55 0.221 0.568 -7.812 395 HD1 TYR 55 HD2 TYR 55 -2.270 -2.111 -7.734 396 HD2 TYR 55 HD1 TYR 55 -1.480 1.937 -8.833 397 HE1 TYR 55 HE2 TYR 55 -4.717 -1.741 -8.058 398 HE2 TYR 55 HE1 TYR 55 -3.910 2.327 -9.171 399 HH TYR 55 HH TYR 55 -6.241 0.549 -7.962 400 H CYS 56 HN CYS 56 1.260 -3.265 -9.852 401 HA CYS 56 HA CYS 56 3.662 -2.977 -8.201 402 HB2 CYS 56 HB2 CYS 56 2.796 -5.154 -10.121 403 HB3 CYS 56 HB1 CYS 56 4.215 -5.239 -9.084 404 H ASN 57 HN ASN 57 5.300 -1.726 -8.950 405 HA ASN 57 HA ASN 57 6.787 -0.703 -10.459 406 HB2 ASN 57 HB2 ASN 57 7.679 -3.011 -10.386 407 HB3 ASN 57 HB1 ASN 57 6.608 -3.458 -11.714 408 HD21 ASN 57 HD21 ASN 57 9.761 -2.764 -11.218 409 HD22 ASN 57 HD22 ASN 57 10.141 -1.982 -12.676 Start of MODEL 6 1 H1 PHE 1 HT1 PHE 1 -4.948 -13.263 2.752 2 H2 PHE 1 HT2 PHE 1 -6.574 -12.776 2.834 3 H3 PHE 1 HT3 PHE 1 -5.371 -11.872 3.625 4 HA PHE 1 HA PHE 1 -5.623 -10.591 1.793 5 HB2 PHE 1 HB2 PHE 1 -3.311 -11.711 1.945 6 HB3 PHE 1 HB1 PHE 1 -3.817 -12.713 0.596 7 HD1 PHE 1 HD2 PHE 1 -5.472 -9.830 -0.251 8 HD2 PHE 1 HD1 PHE 1 -1.463 -11.242 0.284 9 HE1 PHE 1 HE2 PHE 1 -4.657 -8.107 -1.766 10 HE2 PHE 1 HE1 PHE 1 -0.647 -9.500 -1.241 11 HZ PHE 1 HZ PHE 1 -2.233 -7.923 -2.271 12 H VAL 2 HN VAL 2 -7.681 -12.720 1.817 13 HA VAL 2 HA VAL 2 -7.947 -13.407 -1.073 14 HB VAL 2 HB VAL 2 -9.943 -14.769 -0.008 15 HG11 VAL 2 HG11 VAL 2 -7.987 -15.833 -0.985 16 HG12 VAL 2 HG12 VAL 2 -8.343 -16.601 0.562 17 HG13 VAL 2 HG13 VAL 2 -7.022 -15.438 0.439 18 HG21 VAL 2 HG21 VAL 2 -9.471 -13.467 2.228 19 HG22 VAL 2 HG22 VAL 2 -8.159 -14.624 2.423 20 HG23 VAL 2 HG23 VAL 2 -9.824 -15.192 2.303 21 H ASN 3 HN ASN 3 -10.692 -13.108 1.055 22 HA ASN 3 HA ASN 3 -11.816 -11.009 -0.734 23 HB2 ASN 3 HB2 ASN 3 -13.291 -12.649 1.338 24 HB3 ASN 3 HB1 ASN 3 -13.981 -11.725 0.006 25 HD21 ASN 3 HD21 ASN 3 -14.481 -12.953 -1.798 26 HD22 ASN 3 HD22 ASN 3 -13.755 -14.431 -2.210 27 H GLN 4 HN GLN 4 -9.898 -10.547 1.529 28 HA GLN 4 HA GLN 4 -11.593 -9.026 3.439 29 HB2 GLN 4 HB2 GLN 4 -9.115 -8.616 4.389 30 HB3 GLN 4 HB1 GLN 4 -9.999 -10.103 4.713 31 HG2 GLN 4 HG2 GLN 4 -8.880 -11.224 2.848 32 HG3 GLN 4 HG1 GLN 4 -8.039 -9.730 2.430 33 HE21 GLN 4 HE21 GLN 4 -7.766 -12.599 4.211 34 HE22 GLN 4 HE22 GLN 4 -6.480 -12.146 5.219 35 H HIS 5 HN HIS 5 -11.009 -6.795 3.927 36 HA HIS 5 HA HIS 5 -10.405 -5.287 1.460 37 HB2 HIS 5 HB2 HIS 5 -11.261 -3.370 2.710 38 HB3 HIS 5 HB1 HIS 5 -12.388 -4.716 2.842 39 HD2 HIS 5 HD2 HIS 5 -12.312 -6.060 5.425 40 HE1 HIS 5 HE1 HIS 5 -10.233 -2.928 7.352 41 HE2 HIS 5 HE2 HIS 5 -11.544 -5.077 7.706 42 H LEU 6 HN LEU 6 -8.596 -4.051 1.186 43 HA LEU 6 HA LEU 6 -6.500 -4.147 3.311 44 HB2 LEU 6 HB2 LEU 6 -6.501 -3.866 0.325 45 HB3 LEU 6 HB1 LEU 6 -5.201 -3.106 1.208 46 HG LEU 6 HG LEU 6 -4.294 -5.126 1.929 47 HD11 LEU 6 HD11 LEU 6 -5.928 -6.310 3.059 48 HD12 LEU 6 HD12 LEU 6 -5.725 -7.319 1.635 49 HD13 LEU 6 HD13 LEU 6 -7.078 -6.198 1.731 50 HD21 LEU 6 HD21 LEU 6 -4.399 -6.689 -0.008 51 HD22 LEU 6 HD22 LEU 6 -4.060 -5.038 -0.482 52 HD23 LEU 6 HD23 LEU 6 -5.673 -5.720 -0.703 53 H CYS 7 HN CYS 7 -5.980 -2.295 4.387 54 HA CYS 7 HA CYS 7 -6.552 0.327 3.145 55 HB2 CYS 7 HB2 CYS 7 -8.485 -0.717 4.736 56 HB3 CYS 7 HB1 CYS 7 -7.505 0.075 5.965 57 H GLY 8 HN GLY 8 -4.819 1.592 3.501 58 HA2 GLY 8 HA2 GLY 8 -2.956 2.541 4.592 59 HA3 GLY 8 HA1 GLY 8 -3.487 1.744 6.072 60 H SER 9 HN SER 9 -1.405 0.988 6.629 61 HA SER 9 HA SER 9 0.537 -0.218 5.054 62 HB2 SER 9 HB2 SER 9 -0.331 -1.131 7.812 63 HB3 SER 9 HB1 SER 9 1.223 -1.474 7.057 64 HG SER 9 HG SER 9 1.834 0.392 7.779 65 H ASP 10 HN ASP 10 -2.521 -1.652 6.121 66 HA ASP 10 HA ASP 10 -2.062 -4.367 5.635 67 HB2 ASP 10 HB2 ASP 10 -4.447 -2.579 5.244 68 HB3 ASP 10 HB1 ASP 10 -4.544 -4.245 4.690 69 H LEU 11 HN LEU 11 -3.006 -1.890 3.248 70 HA LEU 11 HA LEU 11 -2.956 -3.552 0.970 71 HB2 LEU 11 HB2 LEU 11 -3.848 -1.289 0.821 72 HB3 LEU 11 HB1 LEU 11 -2.288 -0.607 1.264 73 HG LEU 11 HG LEU 11 -1.297 -1.340 -0.811 74 HD11 LEU 11 HD11 LEU 11 -3.899 -2.810 -1.188 75 HD12 LEU 11 HD12 LEU 11 -2.266 -3.480 -1.170 76 HD13 LEU 11 HD13 LEU 11 -2.789 -2.474 -2.507 77 HD21 LEU 11 HD21 LEU 11 -2.573 0.739 -0.978 78 HD22 LEU 11 HD22 LEU 11 -4.051 -0.173 -1.289 79 HD23 LEU 11 HD23 LEU 11 -2.743 -0.185 -2.470 80 H VAL 12 HN VAL 12 -0.336 -1.452 2.215 81 HA VAL 12 HA VAL 12 1.685 -2.081 0.415 82 HB VAL 12 HB VAL 12 2.120 -1.921 3.411 83 HG11 VAL 12 HG11 VAL 12 4.314 -1.205 2.870 84 HG12 VAL 12 HG12 VAL 12 3.892 -0.899 1.187 85 HG13 VAL 12 HG13 VAL 12 4.023 -2.554 1.776 86 HG21 VAL 12 HG21 VAL 12 2.231 0.492 3.148 87 HG22 VAL 12 HG22 VAL 12 0.675 -0.056 2.531 88 HG23 VAL 12 HG23 VAL 12 1.972 0.353 1.412 89 H GLU 13 HN GLU 13 1.405 -3.779 3.563 90 HA GLU 13 HA GLU 13 3.154 -5.881 3.018 91 HB2 GLU 13 HB2 GLU 13 0.525 -6.071 4.520 92 HB3 GLU 13 HB1 GLU 13 1.865 -7.211 4.645 93 HG2 GLU 13 HG2 GLU 13 3.333 -5.353 5.421 94 HG3 GLU 13 HG1 GLU 13 1.941 -4.271 5.384 95 H ALA 14 HN ALA 14 -0.011 -5.316 1.695 96 HA ALA 14 HA ALA 14 -0.266 -8.058 0.666 97 HB1 ALA 14 HB1 ALA 14 -2.010 -5.786 1.024 98 HB2 ALA 14 HB2 ALA 14 -2.438 -7.453 0.665 99 HB3 ALA 14 HB3 ALA 14 -2.114 -6.321 -0.651 100 H LEU 15 HN LEU 15 0.156 -4.802 -0.862 101 HA LEU 15 HA LEU 15 0.562 -5.757 -3.472 102 HB2 LEU 15 HB2 LEU 15 1.799 -3.410 -2.035 103 HB3 LEU 15 HB1 LEU 15 2.168 -3.758 -3.720 104 HG LEU 15 HG LEU 15 -0.719 -3.571 -2.863 105 HD11 LEU 15 HD11 LEU 15 0.880 -1.171 -3.793 106 HD12 LEU 15 HD12 LEU 15 0.601 -1.491 -2.085 107 HD13 LEU 15 HD13 LEU 15 -0.763 -1.202 -3.160 108 HD21 LEU 15 HD21 LEU 15 0.694 -2.773 -5.423 109 HD22 LEU 15 HD22 LEU 15 -1.043 -2.915 -5.173 110 HD23 LEU 15 HD23 LEU 15 -0.032 -4.355 -5.163 111 H TYR 16 HN TYR 16 2.742 -5.728 -0.707 112 HA TYR 16 HA TYR 16 5.191 -6.254 -1.951 113 HB2 TYR 16 HB2 TYR 16 5.024 -5.911 0.445 114 HB3 TYR 16 HB1 TYR 16 4.116 -7.408 0.628 115 HD1 TYR 16 HD2 TYR 16 7.313 -6.239 -0.976 116 HD2 TYR 16 HD1 TYR 16 5.333 -9.270 1.324 117 HE1 TYR 16 HE2 TYR 16 9.442 -7.496 -0.802 118 HE2 TYR 16 HE1 TYR 16 7.461 -10.532 1.501 119 HH TYR 16 HH TYR 16 10.247 -9.477 1.230 120 H LEU 17 HN LEU 17 2.735 -8.727 -1.010 121 HA LEU 17 HA LEU 17 4.255 -10.895 -2.176 122 HB2 LEU 17 HB2 LEU 17 1.255 -10.721 -1.757 123 HB3 LEU 17 HB1 LEU 17 2.168 -12.178 -2.079 124 HG LEU 17 HG LEU 17 3.492 -11.696 0.039 125 HD11 LEU 17 HD11 LEU 17 1.428 -9.518 0.163 126 HD12 LEU 17 HD12 LEU 17 3.114 -9.492 0.651 127 HD13 LEU 17 HD13 LEU 17 1.924 -10.288 1.666 128 HD21 LEU 17 HD21 LEU 17 1.470 -12.420 1.505 129 HD22 LEU 17 HD22 LEU 17 1.916 -13.460 0.154 130 HD23 LEU 17 HD23 LEU 17 0.544 -12.366 0.006 131 H VAL 18 HN VAL 18 1.438 -9.035 -3.291 132 HA VAL 18 HA VAL 18 1.056 -10.187 -5.807 133 HB VAL 18 HB VAL 18 0.908 -7.230 -5.172 134 HG11 VAL 18 HG11 VAL 18 -0.700 -7.106 -6.925 135 HG12 VAL 18 HG12 VAL 18 -0.723 -8.854 -7.114 136 HG13 VAL 18 HG13 VAL 18 0.705 -7.933 -7.579 137 HG21 VAL 18 HG21 VAL 18 -1.418 -7.663 -4.539 138 HG22 VAL 18 HG22 VAL 18 -0.332 -8.611 -3.526 139 HG23 VAL 18 HG23 VAL 18 -1.197 -9.382 -4.854 140 H CYS 19 HN CYS 19 3.027 -7.287 -5.168 141 HA CYS 19 HA CYS 19 4.250 -7.404 -7.800 142 HB2 CYS 19 HB2 CYS 19 5.299 -5.818 -5.464 143 HB3 CYS 19 HB1 CYS 19 5.342 -5.417 -7.175 144 H GLY 20 HN GLY 20 4.980 -8.685 -4.670 145 HA2 GLY 20 HA2 GLY 20 6.835 -9.897 -3.875 146 HA3 GLY 20 HA1 GLY 20 6.901 -10.521 -5.520 147 H GLU 21 HN GLU 21 8.937 -10.319 -6.283 148 HA GLU 21 HA GLU 21 10.778 -8.310 -5.255 149 HB2 GLU 21 HB2 GLU 21 10.985 -10.324 -7.507 150 HB3 GLU 21 HB1 GLU 21 12.309 -9.265 -7.017 151 HG2 GLU 21 HG2 GLU 21 12.087 -10.181 -4.687 152 HG3 GLU 21 HG1 GLU 21 10.912 -11.340 -5.309 153 H ARG 22 HN ARG 22 8.457 -8.360 -7.775 154 HA ARG 22 HA ARG 22 9.667 -6.743 -9.745 155 HB2 ARG 22 HB2 ARG 22 6.783 -6.563 -8.822 156 HB3 ARG 22 HB1 ARG 22 7.415 -6.065 -10.390 157 HG2 ARG 22 HG2 ARG 22 8.047 -8.382 -10.898 158 HG3 ARG 22 HG1 ARG 22 7.470 -8.901 -9.315 159 HD2 ARG 22 HD2 ARG 22 5.621 -9.381 -10.669 160 HD3 ARG 22 HD1 ARG 22 5.211 -7.773 -10.077 161 HE ARG 22 HE ARG 22 6.600 -7.265 -12.414 162 HH11 ARG 22 HH21 ARG 22 3.932 -9.238 -11.478 163 HH12 ARG 22 HH22 ARG 22 3.141 -9.130 -13.015 164 HH21 ARG 22 HH11 ARG 22 5.581 -7.113 -14.428 165 HH22 ARG 22 HH12 ARG 22 4.074 -7.928 -14.685 166 H GLY 23 HN GLY 23 8.461 -5.910 -6.562 167 HA2 GLY 23 HA2 GLY 23 8.839 -3.930 -5.339 168 HA3 GLY 23 HA1 GLY 23 9.761 -3.302 -6.709 169 H PHE 24 HN PHE 24 7.707 -1.840 -5.202 170 HA PHE 24 HA PHE 24 6.080 -1.015 -7.499 171 HB2 PHE 24 HB2 PHE 24 3.943 -1.394 -6.442 172 HB3 PHE 24 HB1 PHE 24 4.833 -2.914 -6.447 173 HD1 PHE 24 HD1 PHE 24 5.800 -3.826 -4.382 174 HD2 PHE 24 HD2 PHE 24 3.556 -0.162 -4.361 175 HE1 PHE 24 HE1 PHE 24 5.605 -3.958 -1.916 176 HE2 PHE 24 HE2 PHE 24 3.355 -0.307 -1.892 177 HZ PHE 24 HZ PHE 24 4.380 -2.199 -0.675 178 H PHE 25 HN PHE 25 4.574 0.795 -6.769 179 HA PHE 25 HA PHE 25 5.954 2.523 -4.744 180 HB2 PHE 25 HB2 PHE 25 5.109 4.435 -6.125 181 HB3 PHE 25 HB1 PHE 25 6.235 3.405 -7.011 182 HD1 PHE 25 HD1 PHE 25 2.641 4.230 -6.531 183 HD2 PHE 25 HD2 PHE 25 5.527 2.100 -8.897 184 HE1 PHE 25 HE1 PHE 25 0.899 3.780 -8.248 185 HE2 PHE 25 HE2 PHE 25 3.792 1.655 -10.612 186 HZ PHE 25 HZ PHE 25 1.481 2.493 -10.287 187 H TYR 26 HN TYR 26 4.648 3.391 -3.150 188 HA TYR 26 HA TYR 26 1.899 2.413 -2.992 189 HB2 TYR 26 HB2 TYR 26 3.569 2.886 -1.019 190 HB3 TYR 26 HB1 TYR 26 3.022 4.555 -1.178 191 HD1 TYR 26 HD1 TYR 26 1.645 1.067 -0.990 192 HD2 TYR 26 HD2 TYR 26 1.080 5.213 -0.004 193 HE1 TYR 26 HE1 TYR 26 -0.415 0.506 0.269 194 HE2 TYR 26 HE2 TYR 26 -0.972 4.635 1.257 195 HH TYR 26 HH TYR 26 -1.847 1.333 1.922 196 H THR 27 HN THR 27 0.131 4.152 -2.492 197 HA THR 27 HA THR 27 -0.061 5.833 -4.796 198 HB THR 27 HB THR 27 -2.044 4.990 -3.633 199 HG1 THR 27 HG1 THR 27 -3.145 6.980 -3.626 200 HG21 THR 27 HG21 THR 27 -2.714 5.980 -1.473 201 HG22 THR 27 HG22 THR 27 -1.202 6.879 -1.412 202 HG23 THR 27 HG23 THR 27 -1.190 5.122 -1.337 203 H ASP 28 HN ASP 28 -0.629 8.292 -4.437 204 HA ASP 28 HA ASP 28 1.662 9.691 -3.971 205 HB2 ASP 28 HB2 ASP 28 -1.030 10.357 -4.450 206 HB3 ASP 28 HB1 ASP 28 -0.602 11.290 -3.020 207 HA PRO 29 HA PRO 29 2.304 9.599 0.469 208 HB2 PRO 29 HB2 PRO 29 3.922 11.831 0.741 209 HB3 PRO 29 HB1 PRO 29 4.493 10.281 0.106 210 HG2 PRO 29 HG2 PRO 29 3.866 12.803 -1.367 211 HG3 PRO 29 HG1 PRO 29 5.017 11.524 -1.778 212 HD2 PRO 29 HD2 PRO 29 2.478 11.862 -2.956 213 HD3 PRO 29 HD1 PRO 29 3.473 10.389 -3.024 214 H THR 30 HN THR 30 0.605 12.060 -1.127 215 HA THR 30 HA THR 30 0.317 14.109 0.756 216 HB THR 30 HB THR 30 -1.783 14.638 -0.349 217 HG1 THR 30 HG1 THR 30 -1.559 12.050 -1.487 218 HG21 THR 30 HG21 THR 30 0.244 13.410 -2.243 219 HG22 THR 30 HG22 THR 30 0.283 15.054 -1.608 220 HG23 THR 30 HG23 THR 30 -1.007 14.562 -2.706 221 H GLY 31 HN GLY 31 -1.473 11.028 0.645 222 HA2 GLY 31 HA2 GLY 31 -2.652 9.946 2.371 223 HA3 GLY 31 HA1 GLY 31 -1.862 11.046 3.494 224 H GLY 32 HN GLY 32 -3.098 13.293 1.666 225 HA2 GLY 32 HA2 GLY 32 -5.654 13.418 3.196 226 HA3 GLY 32 HA1 GLY 32 -4.865 14.782 2.400 227 H GLY 33 HN GLY 33 -4.410 12.845 0.067 228 HA2 GLY 33 HA2 GLY 33 -6.973 12.142 -1.010 229 HA3 GLY 33 HA1 GLY 33 -6.456 13.702 -1.658 230 HA PRO 34 HA PRO 34 -2.894 10.815 -2.992 231 HB2 PRO 34 HB2 PRO 34 -3.022 8.179 -2.121 232 HB3 PRO 34 HB1 PRO 34 -2.123 9.449 -1.293 233 HG2 PRO 34 HG2 PRO 34 -4.745 8.212 -0.587 234 HG3 PRO 34 HG1 PRO 34 -3.521 8.926 0.478 235 HD2 PRO 34 HD2 PRO 34 -5.907 10.187 -0.267 236 HD3 PRO 34 HD1 PRO 34 -4.457 11.016 0.338 237 H ARG 35 HN ARG 35 -2.787 8.561 -4.344 238 HA ARG 35 HA ARG 35 -4.792 8.665 -6.349 239 HB2 ARG 35 HB2 ARG 35 -2.429 7.520 -6.346 240 HB3 ARG 35 HB1 ARG 35 -3.285 6.119 -5.709 241 HG2 ARG 35 HG2 ARG 35 -4.807 6.169 -7.650 242 HG3 ARG 35 HG1 ARG 35 -3.926 7.548 -8.306 243 HD2 ARG 35 HD2 ARG 35 -1.827 5.958 -8.012 244 HD3 ARG 35 HD1 ARG 35 -3.038 4.679 -8.048 245 HE ARG 35 HE ARG 35 -2.015 6.066 -10.312 246 HH11 ARG 35 HH21 ARG 35 -5.048 5.126 -8.957 247 HH12 ARG 35 HH22 ARG 35 -5.913 5.329 -10.439 248 HH21 ARG 35 HH11 ARG 35 -3.126 6.306 -12.246 249 HH22 ARG 35 HH12 ARG 35 -4.828 5.986 -12.300 250 H ARG 36 HN ARG 36 -6.823 8.659 -5.154 251 HA ARG 36 HA ARG 36 -7.581 6.610 -3.336 252 HB2 ARG 36 HB2 ARG 36 -9.980 7.259 -4.256 253 HB3 ARG 36 HB1 ARG 36 -9.051 8.424 -3.311 254 HG2 ARG 36 HG2 ARG 36 -8.368 9.623 -5.232 255 HG3 ARG 36 HG1 ARG 36 -8.815 8.305 -6.314 256 HD2 ARG 36 HD2 ARG 36 -11.200 8.648 -5.734 257 HD3 ARG 36 HD1 ARG 36 -10.742 9.984 -4.679 258 HE ARG 36 HE ARG 36 -9.653 10.676 -7.132 259 HH11 ARG 36 HH21 ARG 36 -12.743 9.717 -5.942 260 HH12 ARG 36 HH22 ARG 36 -13.629 10.643 -7.108 261 HH21 ARG 36 HH11 ARG 36 -10.791 11.893 -8.662 262 HH22 ARG 36 HH12 ARG 36 -12.523 11.875 -8.649 263 H GLY 37 HN GLY 37 -6.665 6.240 -6.465 264 HA2 GLY 37 HA2 GLY 37 -8.662 4.349 -7.380 265 HA3 GLY 37 HA1 GLY 37 -7.086 4.626 -8.119 266 H ILE 38 HN ILE 38 -5.778 4.136 -5.388 267 HA ILE 38 HA ILE 38 -5.856 1.165 -5.600 268 HB ILE 38 HB ILE 38 -3.699 2.841 -5.677 269 HG12 ILE 38 HG12 ILE 38 -3.329 0.651 -6.385 270 HG13 ILE 38 HG11 ILE 38 -2.328 0.735 -4.956 271 HG21 ILE 38 HG21 ILE 38 -2.401 2.579 -3.598 272 HG22 ILE 38 HG22 ILE 38 -3.796 1.864 -2.807 273 HG23 ILE 38 HG23 ILE 38 -3.851 3.538 -3.349 274 HD11 ILE 38 HD11 ILE 38 -4.641 -0.161 -3.843 275 HD12 ILE 38 HD12 ILE 38 -3.394 -1.224 -4.465 276 HD13 ILE 38 HD13 ILE 38 -4.795 -0.851 -5.458 277 H VAL 39 HN VAL 39 -5.572 3.621 -2.992 278 HA VAL 39 HA VAL 39 -6.087 1.782 -0.894 279 HB VAL 39 HB VAL 39 -6.879 4.692 -0.766 280 HG11 VAL 39 HG11 VAL 39 -7.355 3.290 1.193 281 HG12 VAL 39 HG12 VAL 39 -6.058 4.428 1.558 282 HG13 VAL 39 HG13 VAL 39 -5.680 2.739 1.222 283 HG21 VAL 39 HG21 VAL 39 -4.373 4.923 -0.008 284 HG22 VAL 39 HG22 VAL 39 -4.750 4.911 -1.728 285 HG23 VAL 39 HG23 VAL 39 -4.130 3.452 -0.954 286 H GLU 40 HN GLU 40 -8.419 4.256 -2.065 287 HA GLU 40 HA GLU 40 -10.638 3.190 -0.696 288 HB2 GLU 40 HB2 GLU 40 -10.730 4.531 -3.408 289 HB3 GLU 40 HB1 GLU 40 -12.027 4.459 -2.216 290 HG2 GLU 40 HG2 GLU 40 -10.402 5.634 -0.610 291 HG3 GLU 40 HG1 GLU 40 -9.414 5.964 -2.032 292 H GLN 41 HN GLN 41 -9.528 2.435 -4.010 293 HA GLN 41 HA GLN 41 -11.595 0.742 -4.812 294 HB2 GLN 41 HB2 GLN 41 -9.556 1.380 -6.160 295 HB3 GLN 41 HB1 GLN 41 -8.661 0.134 -5.289 296 HG2 GLN 41 HG2 GLN 41 -10.195 -1.582 -6.095 297 HG3 GLN 41 HG1 GLN 41 -11.202 -0.362 -6.871 298 HE21 GLN 41 HE21 GLN 41 -10.890 -0.679 -9.060 299 HE22 GLN 41 HE22 GLN 41 -9.377 -0.762 -9.809 300 H CYS 42 HN CYS 42 -8.622 -0.328 -3.121 301 HA CYS 42 HA CYS 42 -9.854 -2.935 -2.583 302 HB2 CYS 42 HB2 CYS 42 -7.194 -1.805 -1.685 303 HB3 CYS 42 HB1 CYS 42 -7.703 -3.489 -1.578 304 H CYS 43 HN CYS 43 -9.367 0.059 -0.803 305 HA CYS 43 HA CYS 43 -9.891 -1.234 1.788 306 HB2 CYS 43 HB2 CYS 43 -8.427 0.754 1.722 307 HB3 CYS 43 HB1 CYS 43 -9.756 1.713 1.064 308 H HIS 44 HN HIS 44 -11.620 1.098 -0.305 309 HA HIS 44 HA HIS 44 -14.044 0.942 1.272 310 HB2 HIS 44 HB2 HIS 44 -13.377 2.849 -0.275 311 HB3 HIS 44 HB1 HIS 44 -13.829 1.805 -1.620 312 HD2 HIS 44 HD2 HIS 44 -15.533 4.520 0.040 313 HE1 HIS 44 HE1 HIS 44 -18.599 1.632 -0.245 314 HE2 HIS 44 HE2 HIS 44 -18.094 4.087 0.185 315 H SER 45 HN SER 45 -12.683 -0.911 -1.357 316 HA SER 45 HA SER 45 -15.080 -2.706 -1.265 317 HB2 SER 45 HB2 SER 45 -13.675 -2.132 -3.872 318 HB3 SER 45 HB1 SER 45 -15.270 -2.828 -3.606 319 HG SER 45 HG SER 45 -15.250 -0.579 -4.262 320 H ILE 46 HN ILE 46 -14.581 -4.911 -1.933 321 HA ILE 46 HA ILE 46 -11.884 -5.714 -1.112 322 HB ILE 46 HB ILE 46 -13.987 -7.565 -2.249 323 HG12 ILE 46 HG12 ILE 46 -15.141 -6.078 -0.610 324 HG13 ILE 46 HG11 ILE 46 -15.037 -7.743 -0.054 325 HG21 ILE 46 HG21 ILE 46 -11.872 -7.825 -0.098 326 HG22 ILE 46 HG22 ILE 46 -11.843 -8.554 -1.704 327 HG23 ILE 46 HG23 ILE 46 -13.040 -9.074 -0.520 328 HD11 ILE 46 HD11 ILE 46 -13.170 -5.504 0.783 329 HD12 ILE 46 HD12 ILE 46 -13.092 -7.171 1.351 330 HD13 ILE 46 HD13 ILE 46 -14.478 -6.166 1.757 331 H CYS 47 HN CYS 47 -10.416 -5.158 -2.744 332 HA CYS 47 HA CYS 47 -11.063 -5.851 -5.553 333 HB2 CYS 47 HB2 CYS 47 -9.185 -4.551 -6.166 334 HB3 CYS 47 HB1 CYS 47 -9.873 -3.685 -4.796 335 H SER 48 HN SER 48 -9.780 -7.326 -6.777 336 HA SER 48 HA SER 48 -8.672 -9.533 -5.178 337 HB2 SER 48 HB2 SER 48 -8.257 -10.436 -7.615 338 HB3 SER 48 HB1 SER 48 -9.900 -10.350 -6.993 339 HG SER 48 HG SER 48 -9.438 -7.998 -7.982 340 H LEU 49 HN LEU 49 -6.512 -10.456 -5.885 341 HA LEU 49 HA LEU 49 -4.428 -8.568 -5.547 342 HB2 LEU 49 HB2 LEU 49 -4.171 -11.230 -6.968 343 HB3 LEU 49 HB1 LEU 49 -2.908 -10.364 -6.100 344 HG LEU 49 HG LEU 49 -5.327 -11.772 -4.951 345 HD11 LEU 49 HD11 LEU 49 -2.385 -11.911 -4.229 346 HD12 LEU 49 HD12 LEU 49 -3.170 -13.024 -5.350 347 HD13 LEU 49 HD13 LEU 49 -3.667 -12.977 -3.658 348 HD21 LEU 49 HD21 LEU 49 -4.395 -10.879 -2.729 349 HD22 LEU 49 HD22 LEU 49 -5.304 -9.732 -3.712 350 HD23 LEU 49 HD23 LEU 49 -3.542 -9.687 -3.706 351 H TYR 50 HN TYR 50 -5.998 -9.850 -8.377 352 HA TYR 50 HA TYR 50 -4.377 -9.185 -10.481 353 HB2 TYR 50 HB2 TYR 50 -6.844 -10.083 -10.309 354 HB3 TYR 50 HB1 TYR 50 -7.287 -8.389 -10.524 355 HD1 TYR 50 HD2 TYR 50 -5.497 -11.234 -11.951 356 HD2 TYR 50 HD1 TYR 50 -7.003 -7.296 -12.619 357 HE1 TYR 50 HE2 TYR 50 -5.078 -11.507 -14.392 358 HE2 TYR 50 HE1 TYR 50 -6.594 -7.537 -15.063 359 HH TYR 50 HH TYR 50 -4.821 -9.138 -16.476 360 H GLN 51 HN GLN 51 -6.774 -7.000 -9.046 361 HA GLN 51 HA GLN 51 -5.938 -4.676 -10.482 362 HB2 GLN 51 HB2 GLN 51 -7.084 -4.617 -7.680 363 HB3 GLN 51 HB1 GLN 51 -7.268 -3.427 -8.965 364 HG2 GLN 51 HG2 GLN 51 -8.394 -5.298 -10.331 365 HG3 GLN 51 HG1 GLN 51 -8.505 -6.174 -8.807 366 HE21 GLN 51 HE21 GLN 51 -9.214 -2.878 -10.068 367 HE22 GLN 51 HE22 GLN 51 -10.662 -2.695 -9.204 368 H LEU 52 HN LEU 52 -4.943 -5.971 -7.328 369 HA LEU 52 HA LEU 52 -3.193 -3.819 -6.680 370 HB2 LEU 52 HB2 LEU 52 -3.036 -6.744 -5.941 371 HB3 LEU 52 HB1 LEU 52 -2.071 -5.474 -5.197 372 HG LEU 52 HG LEU 52 -5.101 -5.646 -5.170 373 HD11 LEU 52 HD11 LEU 52 -4.828 -6.084 -2.813 374 HD12 LEU 52 HD12 LEU 52 -3.083 -5.865 -2.926 375 HD13 LEU 52 HD13 LEU 52 -3.857 -7.241 -3.717 376 HD21 LEU 52 HD21 LEU 52 -4.550 -3.755 -3.333 377 HD22 LEU 52 HD22 LEU 52 -4.785 -3.350 -5.031 378 HD23 LEU 52 HD23 LEU 52 -3.157 -3.513 -4.388 379 H GLU 53 HN GLU 53 -2.920 -6.622 -8.703 380 HA GLU 53 HA GLU 53 -0.081 -6.431 -9.133 381 HB2 GLU 53 HB2 GLU 53 -2.132 -8.240 -9.783 382 HB3 GLU 53 HB1 GLU 53 -1.616 -7.628 -11.352 383 HG2 GLU 53 HG2 GLU 53 0.817 -8.125 -10.365 384 HG3 GLU 53 HG1 GLU 53 -0.076 -9.229 -9.321 385 H ASN 54 HN ASN 54 -2.664 -4.522 -10.008 386 HA ASN 54 HA ASN 54 -1.760 -3.654 -12.626 387 HB2 ASN 54 HB2 ASN 54 -4.143 -3.509 -11.532 388 HB3 ASN 54 HB1 ASN 54 -3.542 -2.015 -10.811 389 HD21 ASN 54 HD21 ASN 54 -5.650 -2.311 -12.898 390 HD22 ASN 54 HD22 ASN 54 -5.106 -1.426 -14.237 391 H TYR 55 HN TYR 55 -1.141 -2.719 -9.312 392 HA TYR 55 HA TYR 55 0.357 -0.299 -10.209 393 HB2 TYR 55 HB2 TYR 55 -0.157 -1.182 -7.367 394 HB3 TYR 55 HB1 TYR 55 0.242 0.430 -7.950 395 HD1 TYR 55 HD2 TYR 55 -2.358 -2.152 -7.825 396 HD2 TYR 55 HD1 TYR 55 -1.423 1.867 -8.916 397 HE1 TYR 55 HE2 TYR 55 -4.791 -1.686 -8.123 398 HE2 TYR 55 HE1 TYR 55 -3.839 2.352 -9.228 399 HH TYR 55 HH TYR 55 -6.314 -0.062 -8.437 400 H CYS 56 HN CYS 56 1.050 -3.492 -9.920 401 HA CYS 56 HA CYS 56 3.522 -3.276 -8.357 402 HB2 CYS 56 HB2 CYS 56 2.415 -5.474 -10.129 403 HB3 CYS 56 HB1 CYS 56 3.931 -5.597 -9.249 404 H ASN 57 HN ASN 57 5.151 -2.086 -9.246 405 HA ASN 57 HA ASN 57 6.641 -1.239 -10.853 406 HB2 ASN 57 HB2 ASN 57 7.437 -3.555 -10.807 407 HB3 ASN 57 HB1 ASN 57 6.196 -4.025 -11.966 408 HD21 ASN 57 HD21 ASN 57 8.896 -1.665 -11.664 409 HD22 ASN 57 HD22 ASN 57 9.349 -1.746 -13.298 Start of MODEL 7 1 H1 PHE 1 HT1 PHE 1 -6.285 -11.664 3.127 2 H2 PHE 1 HT2 PHE 1 -5.944 -13.134 2.346 3 H3 PHE 1 HT3 PHE 1 -7.532 -12.532 2.372 4 HA PHE 1 HA PHE 1 -6.448 -10.489 1.210 5 HB2 PHE 1 HB2 PHE 1 -4.208 -11.802 1.525 6 HB3 PHE 1 HB1 PHE 1 -4.707 -12.714 0.113 7 HD1 PHE 1 HD2 PHE 1 -6.133 -9.819 -0.838 8 HD2 PHE 1 HD1 PHE 1 -2.239 -11.293 0.144 9 HE1 PHE 1 HE2 PHE 1 -5.119 -8.075 -2.223 10 HE2 PHE 1 HE1 PHE 1 -1.221 -9.545 -1.243 11 HZ PHE 1 HZ PHE 1 -2.647 -7.929 -2.429 12 H VAL 2 HN VAL 2 -8.502 -12.734 1.323 13 HA VAL 2 HA VAL 2 -8.726 -13.524 -1.525 14 HB VAL 2 HB VAL 2 -10.839 -14.714 -0.457 15 HG11 VAL 2 HG11 VAL 2 -9.334 -16.571 0.315 16 HG12 VAL 2 HG12 VAL 2 -7.963 -15.481 0.107 17 HG13 VAL 2 HG13 VAL 2 -8.933 -15.955 -1.288 18 HG21 VAL 2 HG21 VAL 2 -10.392 -13.300 1.705 19 HG22 VAL 2 HG22 VAL 2 -9.122 -14.480 2.017 20 HG23 VAL 2 HG23 VAL 2 -10.800 -15.006 1.881 21 H ASN 3 HN ASN 3 -11.545 -12.937 0.450 22 HA ASN 3 HA ASN 3 -12.463 -10.899 -1.531 23 HB2 ASN 3 HB2 ASN 3 -14.160 -12.426 0.453 24 HB3 ASN 3 HB1 ASN 3 -14.706 -11.516 -0.952 25 HD21 ASN 3 HD21 ASN 3 -15.004 -12.711 -2.822 26 HD22 ASN 3 HD22 ASN 3 -14.347 -14.249 -3.115 27 H GLN 4 HN GLN 4 -10.736 -10.423 0.888 28 HA GLN 4 HA GLN 4 -12.545 -8.785 2.585 29 HB2 GLN 4 HB2 GLN 4 -10.170 -8.431 3.769 30 HB3 GLN 4 HB1 GLN 4 -11.113 -9.895 4.018 31 HG2 GLN 4 HG2 GLN 4 -9.836 -11.070 2.301 32 HG3 GLN 4 HG1 GLN 4 -8.941 -9.597 1.926 33 HE21 GLN 4 HE21 GLN 4 -8.626 -12.448 3.572 34 HE22 GLN 4 HE22 GLN 4 -7.531 -11.968 4.774 35 H HIS 5 HN HIS 5 -11.980 -6.561 3.033 36 HA HIS 5 HA HIS 5 -11.055 -5.159 0.606 37 HB2 HIS 5 HB2 HIS 5 -11.968 -3.173 1.693 38 HB3 HIS 5 HB1 HIS 5 -13.149 -4.475 1.762 39 HD2 HIS 5 HD2 HIS 5 -13.203 -5.818 4.398 40 HE1 HIS 5 HE1 HIS 5 -11.534 -2.484 6.384 41 HE2 HIS 5 HE2 HIS 5 -12.734 -4.703 6.700 42 H LEU 6 HN LEU 6 -9.175 -4.001 0.488 43 HA LEU 6 HA LEU 6 -7.292 -4.183 2.787 44 HB2 LEU 6 HB2 LEU 6 -7.030 -3.785 -0.177 45 HB3 LEU 6 HB1 LEU 6 -5.794 -3.097 0.846 46 HG LEU 6 HG LEU 6 -5.005 -5.170 1.561 47 HD11 LEU 6 HD11 LEU 6 -6.462 -7.309 1.055 48 HD12 LEU 6 HD12 LEU 6 -7.788 -6.154 1.087 49 HD13 LEU 6 HD13 LEU 6 -6.755 -6.351 2.500 50 HD21 LEU 6 HD21 LEU 6 -4.988 -6.660 -0.446 51 HD22 LEU 6 HD22 LEU 6 -4.543 -5.008 -0.809 52 HD23 LEU 6 HD23 LEU 6 -6.154 -5.608 -1.210 53 H CYS 7 HN CYS 7 -7.084 -2.440 4.090 54 HA CYS 7 HA CYS 7 -7.406 0.290 2.927 55 HB2 CYS 7 HB2 CYS 7 -8.746 -0.687 5.470 56 HB3 CYS 7 HB1 CYS 7 -8.760 0.974 4.878 57 H GLY 8 HN GLY 8 -5.693 1.501 3.498 58 HA2 GLY 8 HA2 GLY 8 -3.914 2.352 4.786 59 HA3 GLY 8 HA1 GLY 8 -4.573 1.480 6.169 60 H SER 9 HN SER 9 -2.510 0.723 6.826 61 HA SER 9 HA SER 9 -0.469 -0.437 5.360 62 HB2 SER 9 HB2 SER 9 -1.559 -1.455 8.000 63 HB3 SER 9 HB1 SER 9 0.041 -1.803 7.352 64 HG SER 9 HG SER 9 -1.037 0.733 8.048 65 H ASP 10 HN ASP 10 -3.629 -1.851 6.035 66 HA ASP 10 HA ASP 10 -3.163 -4.558 5.519 67 HB2 ASP 10 HB2 ASP 10 -5.465 -2.742 4.793 68 HB3 ASP 10 HB1 ASP 10 -5.497 -4.459 4.395 69 H LEU 11 HN LEU 11 -3.835 -2.001 3.115 70 HA LEU 11 HA LEU 11 -3.553 -3.592 0.811 71 HB2 LEU 11 HB2 LEU 11 -4.377 -1.303 0.631 72 HB3 LEU 11 HB1 LEU 11 -2.857 -0.671 1.250 73 HG LEU 11 HG LEU 11 -1.673 -1.396 -0.731 74 HD11 LEU 11 HD11 LEU 11 -2.669 -3.488 -1.248 75 HD12 LEU 11 HD12 LEU 11 -3.015 -2.431 -2.602 76 HD13 LEU 11 HD13 LEU 11 -4.268 -2.761 -1.414 77 HD21 LEU 11 HD21 LEU 11 -4.321 -0.150 -1.513 78 HD22 LEU 11 HD22 LEU 11 -2.851 -0.129 -2.485 79 HD23 LEU 11 HD23 LEU 11 -2.902 0.731 -0.946 80 H VAL 12 HN VAL 12 -1.047 -1.660 2.477 81 HA VAL 12 HA VAL 12 1.148 -2.272 0.862 82 HB VAL 12 HB VAL 12 1.233 -2.208 3.892 83 HG11 VAL 12 HG11 VAL 12 3.296 -2.880 2.486 84 HG12 VAL 12 HG12 VAL 12 3.502 -1.565 3.637 85 HG13 VAL 12 HG13 VAL 12 3.297 -1.210 1.925 86 HG21 VAL 12 HG21 VAL 12 1.433 0.197 3.730 87 HG22 VAL 12 HG22 VAL 12 -0.026 -0.269 2.861 88 HG23 VAL 12 HG23 VAL 12 1.442 0.125 1.971 89 H GLU 13 HN GLU 13 0.452 -4.048 3.899 90 HA GLU 13 HA GLU 13 2.178 -6.197 3.505 91 HB2 GLU 13 HB2 GLU 13 -0.626 -6.337 4.656 92 HB3 GLU 13 HB1 GLU 13 0.649 -7.529 4.910 93 HG2 GLU 13 HG2 GLU 13 2.068 -5.621 5.839 94 HG3 GLU 13 HG1 GLU 13 0.593 -4.652 5.843 95 H ALA 14 HN ALA 14 -0.830 -5.519 1.873 96 HA ALA 14 HA ALA 14 -1.027 -8.199 0.715 97 HB1 ALA 14 HB1 ALA 14 -2.711 -5.865 0.917 98 HB2 ALA 14 HB2 ALA 14 -3.158 -7.507 0.473 99 HB3 ALA 14 HB3 ALA 14 -2.634 -6.366 -0.769 100 H LEU 15 HN LEU 15 -0.328 -4.931 -0.676 101 HA LEU 15 HA LEU 15 0.373 -5.835 -3.236 102 HB2 LEU 15 HB2 LEU 15 1.504 -3.571 -1.594 103 HB3 LEU 15 HB1 LEU 15 2.055 -3.886 -3.236 104 HG LEU 15 HG LEU 15 -0.907 -3.627 -2.711 105 HD11 LEU 15 HD11 LEU 15 -0.848 -1.251 -2.927 106 HD12 LEU 15 HD12 LEU 15 0.856 -1.253 -3.376 107 HD13 LEU 15 HD13 LEU 15 0.382 -1.615 -1.720 108 HD21 LEU 15 HD21 LEU 15 0.807 -2.791 -5.068 109 HD22 LEU 15 HD22 LEU 15 -0.950 -2.909 -5.021 110 HD23 LEU 15 HD23 LEU 15 0.032 -4.367 -4.942 111 H TYR 16 HN TYR 16 2.211 -5.946 -0.233 112 HA TYR 16 HA TYR 16 4.772 -6.543 -1.188 113 HB2 TYR 16 HB2 TYR 16 4.330 -6.249 1.178 114 HB3 TYR 16 HB1 TYR 16 3.345 -7.708 1.208 115 HD1 TYR 16 HD2 TYR 16 6.761 -6.653 0.032 116 HD2 TYR 16 HD1 TYR 16 4.389 -9.633 2.003 117 HE1 TYR 16 HE2 TYR 16 8.798 -8.009 0.432 118 HE2 TYR 16 HE1 TYR 16 6.422 -10.993 2.406 119 HH TYR 16 HH TYR 16 8.735 -10.860 2.465 120 H LEU 17 HN LEU 17 2.139 -8.940 -0.599 121 HA LEU 17 HA LEU 17 3.696 -11.144 -1.637 122 HB2 LEU 17 HB2 LEU 17 0.676 -10.847 -1.567 123 HB3 LEU 17 HB1 LEU 17 1.559 -12.335 -1.829 124 HG LEU 17 HG LEU 17 2.653 -11.957 0.444 125 HD11 LEU 17 HD11 LEU 17 0.635 -9.731 0.407 126 HD12 LEU 17 HD12 LEU 17 2.262 -9.752 1.063 127 HD13 LEU 17 HD13 LEU 17 0.961 -10.551 1.930 128 HD21 LEU 17 HD21 LEU 17 -0.288 -12.533 0.046 129 HD22 LEU 17 HD22 LEU 17 0.451 -12.659 1.640 130 HD23 LEU 17 HD23 LEU 17 1.027 -13.674 0.318 131 H VAL 18 HN VAL 18 1.110 -9.145 -3.032 132 HA VAL 18 HA VAL 18 0.983 -10.227 -5.603 133 HB VAL 18 HB VAL 18 0.887 -7.280 -4.916 134 HG11 VAL 18 HG11 VAL 18 0.933 -7.933 -7.346 135 HG12 VAL 18 HG12 VAL 18 -0.495 -7.047 -6.839 136 HG13 VAL 18 HG13 VAL 18 -0.581 -8.788 -7.070 137 HG21 VAL 18 HG21 VAL 18 -1.328 -9.344 -4.886 138 HG22 VAL 18 HG22 VAL 18 -1.515 -7.622 -4.562 139 HG23 VAL 18 HG23 VAL 18 -0.590 -8.632 -3.453 140 H CYS 19 HN CYS 19 2.982 -7.427 -4.668 141 HA CYS 19 HA CYS 19 4.501 -7.546 -7.141 142 HB2 CYS 19 HB2 CYS 19 5.350 -6.056 -4.664 143 HB3 CYS 19 HB1 CYS 19 5.575 -5.614 -6.351 144 H GLY 20 HN GLY 20 4.802 -8.919 -3.983 145 HA2 GLY 20 HA2 GLY 20 6.497 -10.222 -2.999 146 HA3 GLY 20 HA1 GLY 20 6.713 -10.835 -4.636 147 H GLU 21 HN GLU 21 8.801 -10.688 -5.250 148 HA GLU 21 HA GLU 21 10.640 -8.827 -3.960 149 HB2 GLU 21 HB2 GLU 21 10.965 -10.778 -6.252 150 HB3 GLU 21 HB1 GLU 21 12.287 -9.814 -5.594 151 HG2 GLU 21 HG2 GLU 21 11.755 -10.790 -3.328 152 HG3 GLU 21 HG1 GLU 21 10.626 -11.880 -4.133 153 H ARG 22 HN ARG 22 8.557 -8.643 -6.660 154 HA ARG 22 HA ARG 22 10.060 -7.045 -8.452 155 HB2 ARG 22 HB2 ARG 22 7.102 -6.788 -7.833 156 HB3 ARG 22 HB1 ARG 22 7.913 -6.225 -9.292 157 HG2 ARG 22 HG2 ARG 22 8.558 -8.554 -9.826 158 HG3 ARG 22 HG1 ARG 22 7.711 -9.111 -8.382 159 HD2 ARG 22 HD2 ARG 22 6.141 -9.407 -10.140 160 HD3 ARG 22 HD1 ARG 22 5.641 -7.915 -9.348 161 HE ARG 22 HE ARG 22 7.362 -7.061 -11.348 162 HH11 ARG 22 HH21 ARG 22 4.561 -9.060 -11.136 163 HH12 ARG 22 HH22 ARG 22 3.999 -8.669 -12.726 164 HH21 ARG 22 HH11 ARG 22 6.643 -6.539 -13.427 165 HH22 ARG 22 HH12 ARG 22 5.177 -7.242 -14.023 166 H GLY 23 HN GLY 23 8.557 -6.248 -5.388 167 HA2 GLY 23 HA2 GLY 23 8.879 -4.312 -4.076 168 HA3 GLY 23 HA1 GLY 23 9.966 -3.693 -5.323 169 H PHE 24 HN PHE 24 7.818 -2.176 -4.013 170 HA PHE 24 HA PHE 24 6.482 -1.253 -6.456 171 HB2 PHE 24 HB2 PHE 24 4.231 -1.567 -5.647 172 HB3 PHE 24 HB1 PHE 24 5.063 -3.117 -5.581 173 HD1 PHE 24 HD1 PHE 24 5.747 -4.106 -3.449 174 HD2 PHE 24 HD2 PHE 24 3.672 -0.346 -3.591 175 HE1 PHE 24 HE1 PHE 24 5.276 -4.272 -1.022 176 HE2 PHE 24 HE2 PHE 24 3.194 -0.525 -1.163 177 HZ PHE 24 HZ PHE 24 3.997 -2.483 0.116 178 H PHE 25 HN PHE 25 4.977 0.597 -5.870 179 HA PHE 25 HA PHE 25 6.178 2.249 -3.675 180 HB2 PHE 25 HB2 PHE 25 5.535 4.202 -5.128 181 HB3 PHE 25 HB1 PHE 25 6.758 3.162 -5.859 182 HD1 PHE 25 HD1 PHE 25 3.195 4.163 -5.937 183 HD2 PHE 25 HD2 PHE 25 6.245 1.752 -7.770 184 HE1 PHE 25 HE1 PHE 25 1.698 3.750 -7.881 185 HE2 PHE 25 HE2 PHE 25 4.755 1.346 -9.710 186 HZ PHE 25 HZ PHE 25 2.486 2.343 -9.765 187 H TYR 26 HN TYR 26 4.726 2.941 -2.143 188 HA TYR 26 HA TYR 26 1.943 2.159 -2.371 189 HB2 TYR 26 HB2 TYR 26 3.354 2.544 -0.191 190 HB3 TYR 26 HB1 TYR 26 2.916 4.240 -0.402 191 HD1 TYR 26 HD1 TYR 26 1.348 0.829 -0.451 192 HD2 TYR 26 HD2 TYR 26 0.876 4.988 0.530 193 HE1 TYR 26 HE1 TYR 26 -0.883 0.365 0.524 194 HE2 TYR 26 HE2 TYR 26 -1.347 4.506 1.510 195 HH TYR 26 HH TYR 26 -2.590 2.660 2.423 196 H THR 27 HN THR 27 0.205 3.989 -2.051 197 HA THR 27 HA THR 27 0.382 5.672 -4.352 198 HB THR 27 HB THR 27 -1.767 4.937 -3.441 199 HG1 THR 27 HG1 THR 27 -1.292 7.099 -4.490 200 HG21 THR 27 HG21 THR 27 -1.018 6.703 -1.091 201 HG22 THR 27 HG22 THR 27 -1.334 4.972 -1.072 202 HG23 THR 27 HG23 THR 27 -2.647 6.099 -1.390 203 H ASP 28 HN ASP 28 -0.058 8.171 -4.050 204 HA ASP 28 HA ASP 28 2.243 9.429 -3.347 205 HB2 ASP 28 HB2 ASP 28 -0.352 10.255 -4.047 206 HB3 ASP 28 HB1 ASP 28 -0.003 11.147 -2.570 207 HA PRO 29 HA PRO 29 2.501 9.300 1.129 208 HB2 PRO 29 HB2 PRO 29 4.189 11.452 1.564 209 HB3 PRO 29 HB1 PRO 29 4.740 9.884 0.957 210 HG2 PRO 29 HG2 PRO 29 4.366 12.447 -0.526 211 HG3 PRO 29 HG1 PRO 29 5.473 11.109 -0.865 212 HD2 PRO 29 HD2 PRO 29 3.045 11.607 -2.224 213 HD3 PRO 29 HD1 PRO 29 3.979 10.095 -2.261 214 H THR 30 HN THR 30 1.066 11.875 -0.567 215 HA THR 30 HA THR 30 0.710 13.894 1.339 216 HB THR 30 HB THR 30 -1.222 14.584 0.062 217 HG1 THR 30 HG1 THR 30 -1.204 11.872 -0.673 218 HG21 THR 30 HG21 THR 30 1.015 14.781 -1.001 219 HG22 THR 30 HG22 THR 30 -0.265 14.549 -2.192 220 HG23 THR 30 HG23 THR 30 0.780 13.200 -1.747 221 H GLY 31 HN GLY 31 -1.206 10.910 0.985 222 HA2 GLY 31 HA2 GLY 31 -2.587 9.860 2.580 223 HA3 GLY 31 HA1 GLY 31 -1.878 10.928 3.785 224 H GLY 32 HN GLY 32 -2.828 13.214 1.829 225 HA2 GLY 32 HA2 GLY 32 -5.493 13.474 3.125 226 HA3 GLY 32 HA1 GLY 32 -4.598 14.778 2.344 227 H GLY 33 HN GLY 33 -4.013 12.969 0.039 228 HA2 GLY 33 HA2 GLY 33 -6.505 12.187 -1.175 229 HA3 GLY 33 HA1 GLY 33 -5.982 13.762 -1.781 230 HA PRO 34 HA PRO 34 -2.297 10.956 -2.944 231 HB2 PRO 34 HB2 PRO 34 -2.381 8.329 -2.067 232 HB3 PRO 34 HB1 PRO 34 -1.592 9.632 -1.186 233 HG2 PRO 34 HG2 PRO 34 -4.220 8.313 -0.669 234 HG3 PRO 34 HG1 PRO 34 -3.077 9.025 0.484 235 HD2 PRO 34 HD2 PRO 34 -5.427 10.268 -0.365 236 HD3 PRO 34 HD1 PRO 34 -4.013 11.113 0.302 237 H ARG 35 HN ARG 35 -2.066 8.683 -4.288 238 HA ARG 35 HA ARG 35 -3.981 8.767 -6.383 239 HB2 ARG 35 HB2 ARG 35 -1.584 7.665 -6.272 240 HB3 ARG 35 HB1 ARG 35 -2.460 6.232 -5.746 241 HG2 ARG 35 HG2 ARG 35 -3.907 6.436 -7.775 242 HG3 ARG 35 HG1 ARG 35 -2.873 7.748 -8.336 243 HD2 ARG 35 HD2 ARG 35 -0.936 5.989 -7.906 244 HD3 ARG 35 HD1 ARG 35 -2.238 4.812 -8.072 245 HE ARG 35 HE ARG 35 -0.925 6.145 -10.212 246 HH11 ARG 35 HH21 ARG 35 -4.135 5.463 -9.130 247 HH12 ARG 35 HH22 ARG 35 -4.853 5.787 -10.668 248 HH21 ARG 35 HH11 ARG 35 -1.852 6.544 -12.216 249 HH22 ARG 35 HH12 ARG 35 -3.565 6.387 -12.414 250 H ARG 36 HN ARG 36 -6.067 8.686 -5.306 251 HA ARG 36 HA ARG 36 -6.859 6.641 -3.506 252 HB2 ARG 36 HB2 ARG 36 -8.805 7.739 -5.530 253 HB3 ARG 36 HB1 ARG 36 -9.048 7.415 -3.813 254 HG2 ARG 36 HG2 ARG 36 -7.341 9.282 -3.382 255 HG3 ARG 36 HG1 ARG 36 -7.540 9.703 -5.081 256 HD2 ARG 36 HD2 ARG 36 -10.177 9.474 -4.177 257 HD3 ARG 36 HD1 ARG 36 -9.353 10.222 -2.814 258 HE ARG 36 HE ARG 36 -10.152 11.597 -5.119 259 HH11 ARG 36 HH21 ARG 36 -7.183 11.008 -3.451 260 HH12 ARG 36 HH22 ARG 36 -6.419 12.437 -4.053 261 HH21 ARG 36 HH11 ARG 36 -9.167 13.460 -5.893 262 HH22 ARG 36 HH12 ARG 36 -7.538 13.824 -5.430 263 H GLY 37 HN GLY 37 -6.562 6.708 -6.986 264 HA2 GLY 37 HA2 GLY 37 -8.061 4.613 -7.914 265 HA3 GLY 37 HA1 GLY 37 -6.417 4.889 -8.477 266 H ILE 38 HN ILE 38 -5.400 4.314 -5.634 267 HA ILE 38 HA ILE 38 -5.507 1.350 -5.928 268 HB ILE 38 HB ILE 38 -3.323 2.978 -5.727 269 HG12 ILE 38 HG12 ILE 38 -2.890 0.803 -6.426 270 HG13 ILE 38 HG11 ILE 38 -2.088 0.824 -4.874 271 HG21 ILE 38 HG21 ILE 38 -3.721 3.647 -3.421 272 HG22 ILE 38 HG22 ILE 38 -2.272 2.658 -3.519 273 HG23 ILE 38 HG23 ILE 38 -3.762 1.965 -2.901 274 HD11 ILE 38 HD11 ILE 38 -4.499 -0.688 -5.749 275 HD12 ILE 38 HD12 ILE 38 -4.542 -0.051 -4.107 276 HD13 ILE 38 HD13 ILE 38 -3.247 -1.125 -4.595 277 H VAL 39 HN VAL 39 -5.482 3.761 -3.272 278 HA VAL 39 HA VAL 39 -6.245 1.910 -1.267 279 HB VAL 39 HB VAL 39 -6.973 4.839 -1.213 280 HG11 VAL 39 HG11 VAL 39 -6.646 4.572 1.177 281 HG12 VAL 39 HG12 VAL 39 -6.042 2.931 0.951 282 HG13 VAL 39 HG13 VAL 39 -7.734 3.301 0.620 283 HG21 VAL 39 HG21 VAL 39 -4.580 4.933 -0.086 284 HG22 VAL 39 HG22 VAL 39 -4.720 5.010 -1.839 285 HG23 VAL 39 HG23 VAL 39 -4.275 3.492 -1.059 286 H GLU 40 HN GLU 40 -8.434 4.425 -2.646 287 HA GLU 40 HA GLU 40 -10.751 3.286 -1.487 288 HB2 GLU 40 HB2 GLU 40 -12.005 4.805 -2.752 289 HB3 GLU 40 HB1 GLU 40 -10.440 5.593 -2.593 290 HG2 GLU 40 HG2 GLU 40 -10.840 5.843 -4.880 291 HG3 GLU 40 HG1 GLU 40 -9.894 4.361 -4.846 292 H GLN 41 HN GLN 41 -9.243 2.588 -4.624 293 HA GLN 41 HA GLN 41 -11.315 1.045 -5.754 294 HB2 GLN 41 HB2 GLN 41 -9.137 1.649 -6.870 295 HB3 GLN 41 HB1 GLN 41 -8.356 0.378 -5.927 296 HG2 GLN 41 HG2 GLN 41 -9.708 -1.322 -6.954 297 HG3 GLN 41 HG1 GLN 41 -10.756 -0.123 -7.707 298 HE21 GLN 41 HE21 GLN 41 -10.335 -0.526 -9.893 299 HE22 GLN 41 HE22 GLN 41 -8.800 -0.389 -10.588 300 H CYS 42 HN CYS 42 -8.575 -0.154 -3.794 301 HA CYS 42 HA CYS 42 -9.934 -2.732 -3.433 302 HB2 CYS 42 HB2 CYS 42 -7.328 -1.701 -2.288 303 HB3 CYS 42 HB1 CYS 42 -7.898 -3.368 -2.244 304 H CYS 43 HN CYS 43 -9.574 0.238 -1.592 305 HA CYS 43 HA CYS 43 -10.317 -1.076 0.935 306 HB2 CYS 43 HB2 CYS 43 -8.821 0.915 0.936 307 HB3 CYS 43 HB1 CYS 43 -10.147 1.882 0.286 308 H HIS 44 HN HIS 44 -11.856 1.334 -1.225 309 HA HIS 44 HA HIS 44 -14.385 1.194 0.162 310 HB2 HIS 44 HB2 HIS 44 -13.607 3.088 -1.340 311 HB3 HIS 44 HB1 HIS 44 -13.959 2.040 -2.711 312 HD2 HIS 44 HD2 HIS 44 -15.778 4.766 -1.200 313 HE1 HIS 44 HE1 HIS 44 -18.819 1.881 -1.712 314 HE2 HIS 44 HE2 HIS 44 -18.344 4.338 -1.255 315 H SER 45 HN SER 45 -12.875 -0.676 -2.370 316 HA SER 45 HA SER 45 -15.281 -2.459 -2.415 317 HB2 SER 45 HB2 SER 45 -14.528 -2.727 -4.978 318 HB3 SER 45 HB1 SER 45 -15.663 -1.479 -4.478 319 HG SER 45 HG SER 45 -13.136 -0.644 -4.108 320 H ILE 46 HN ILE 46 -14.739 -4.651 -3.171 321 HA ILE 46 HA ILE 46 -12.124 -5.493 -2.132 322 HB ILE 46 HB ILE 46 -14.102 -7.364 -3.440 323 HG12 ILE 46 HG12 ILE 46 -15.452 -5.824 -1.984 324 HG13 ILE 46 HG11 ILE 46 -15.445 -7.490 -1.425 325 HG21 ILE 46 HG21 ILE 46 -13.390 -8.792 -1.511 326 HG22 ILE 46 HG22 ILE 46 -12.246 -7.536 -1.053 327 HG23 ILE 46 HG23 ILE 46 -12.078 -8.362 -2.603 328 HD11 ILE 46 HD11 ILE 46 -13.578 -5.360 -0.353 329 HD12 ILE 46 HD12 ILE 46 -13.800 -6.990 0.278 330 HD13 ILE 46 HD13 ILE 46 -15.100 -5.810 0.408 331 H CYS 47 HN CYS 47 -10.522 -4.966 -3.637 332 HA CYS 47 HA CYS 47 -10.971 -5.604 -6.497 333 HB2 CYS 47 HB2 CYS 47 -9.004 -4.367 -6.943 334 HB3 CYS 47 HB1 CYS 47 -9.784 -3.484 -5.635 335 H SER 48 HN SER 48 -9.541 -7.029 -7.660 336 HA SER 48 HA SER 48 -8.666 -9.326 -6.035 337 HB2 SER 48 HB2 SER 48 -8.167 -9.219 -8.988 338 HB3 SER 48 HB1 SER 48 -8.730 -10.558 -7.994 339 HG SER 48 HG SER 48 -10.136 -8.478 -9.189 340 H LEU 49 HN LEU 49 -6.463 -10.277 -6.603 341 HA LEU 49 HA LEU 49 -4.397 -8.439 -5.956 342 HB2 LEU 49 HB2 LEU 49 -4.036 -11.074 -7.401 343 HB3 LEU 49 HB1 LEU 49 -2.868 -10.262 -6.366 344 HG LEU 49 HG LEU 49 -5.437 -11.637 -5.556 345 HD11 LEU 49 HD11 LEU 49 -2.541 -11.870 -4.679 346 HD12 LEU 49 HD12 LEU 49 -3.439 -13.046 -5.639 347 HD13 LEU 49 HD13 LEU 49 -3.879 -12.761 -3.955 348 HD21 LEU 49 HD21 LEU 49 -4.781 -10.810 -3.214 349 HD22 LEU 49 HD22 LEU 49 -5.532 -9.621 -4.279 350 HD23 LEU 49 HD23 LEU 49 -3.786 -9.618 -4.047 351 H TYR 50 HN TYR 50 -5.656 -9.608 -8.985 352 HA TYR 50 HA TYR 50 -3.777 -8.952 -10.860 353 HB2 TYR 50 HB2 TYR 50 -6.269 -9.772 -11.012 354 HB3 TYR 50 HB1 TYR 50 -6.633 -8.060 -11.238 355 HD1 TYR 50 HD2 TYR 50 -4.762 -10.929 -12.505 356 HD2 TYR 50 HD1 TYR 50 -6.061 -6.933 -13.252 357 HE1 TYR 50 HE2 TYR 50 -4.050 -11.160 -14.883 358 HE2 TYR 50 HE1 TYR 50 -5.357 -7.131 -15.632 359 HH TYR 50 HH TYR 50 -4.465 -10.169 -17.028 360 H GLN 51 HN GLN 51 -6.255 -6.708 -9.670 361 HA GLN 51 HA GLN 51 -5.159 -4.395 -10.952 362 HB2 GLN 51 HB2 GLN 51 -6.666 -4.319 -8.327 363 HB3 GLN 51 HB1 GLN 51 -6.635 -3.116 -9.611 364 HG2 GLN 51 HG2 GLN 51 -7.621 -4.984 -11.125 365 HG3 GLN 51 HG1 GLN 51 -8.020 -5.791 -9.609 366 HE21 GLN 51 HE21 GLN 51 -9.863 -4.543 -11.639 367 HE22 GLN 51 HE22 GLN 51 -10.772 -3.396 -10.779 368 H LEU 52 HN LEU 52 -4.635 -5.772 -7.720 369 HA LEU 52 HA LEU 52 -2.918 -3.692 -6.803 370 HB2 LEU 52 HB2 LEU 52 -2.932 -6.636 -6.122 371 HB3 LEU 52 HB1 LEU 52 -2.039 -5.408 -5.231 372 HG LEU 52 HG LEU 52 -5.052 -5.498 -5.590 373 HD11 LEU 52 HD11 LEU 52 -5.087 -5.993 -3.221 374 HD12 LEU 52 HD12 LEU 52 -3.335 -5.834 -3.122 375 HD13 LEU 52 HD13 LEU 52 -4.054 -7.163 -4.036 376 HD21 LEU 52 HD21 LEU 52 -4.688 -3.667 -3.647 377 HD22 LEU 52 HD22 LEU 52 -4.703 -3.218 -5.351 378 HD23 LEU 52 HD23 LEU 52 -3.171 -3.437 -4.519 379 H GLU 53 HN GLU 53 -2.483 -6.449 -8.858 380 HA GLU 53 HA GLU 53 0.394 -6.353 -8.923 381 HB2 GLU 53 HB2 GLU 53 -1.620 -8.073 -9.872 382 HB3 GLU 53 HB1 GLU 53 -0.887 -7.448 -11.346 383 HG2 GLU 53 HG2 GLU 53 1.382 -8.059 -10.050 384 HG3 GLU 53 HG1 GLU 53 0.315 -9.165 -9.188 385 H ASN 54 HN ASN 54 -1.996 -4.336 -10.069 386 HA ASN 54 HA ASN 54 -0.739 -3.453 -12.531 387 HB2 ASN 54 HB2 ASN 54 -3.234 -3.244 -11.745 388 HB3 ASN 54 HB1 ASN 54 -2.682 -1.788 -10.919 389 HD21 ASN 54 HD21 ASN 54 -4.527 -1.897 -13.225 390 HD22 ASN 54 HD22 ASN 54 -3.780 -1.037 -14.480 391 H TYR 55 HN TYR 55 -0.506 -2.608 -9.143 392 HA TYR 55 HA TYR 55 1.177 -0.228 -9.793 393 HB2 TYR 55 HB2 TYR 55 0.288 -1.133 -7.053 394 HB3 TYR 55 HB1 TYR 55 0.802 0.472 -7.556 395 HD1 TYR 55 HD2 TYR 55 -1.875 -2.024 -7.776 396 HD2 TYR 55 HD1 TYR 55 -0.689 1.974 -8.698 397 HE1 TYR 55 HE2 TYR 55 -4.238 -1.474 -8.349 398 HE2 TYR 55 HE1 TYR 55 -3.036 2.542 -9.281 399 HH TYR 55 HH TYR 55 -5.315 1.715 -8.749 400 H CYS 56 HN CYS 56 1.716 -3.444 -9.509 401 HA CYS 56 HA CYS 56 3.966 -3.367 -7.629 402 HB2 CYS 56 HB2 CYS 56 2.999 -5.468 -9.586 403 HB3 CYS 56 HB1 CYS 56 4.402 -5.681 -8.550 404 H ASN 57 HN ASN 57 5.743 -2.219 -8.261 405 HA ASN 57 HA ASN 57 7.451 -1.382 -9.646 406 HB2 ASN 57 HB2 ASN 57 8.221 -3.685 -9.505 407 HB3 ASN 57 HB1 ASN 57 7.095 -4.177 -10.770 408 HD21 ASN 57 HD21 ASN 57 10.212 -2.715 -10.159 409 HD22 ASN 57 HD22 ASN 57 10.644 -2.485 -11.785 Start of MODEL 8 1 H1 PHE 1 HT1 PHE 1 -7.031 -12.903 2.285 2 H2 PHE 1 HT2 PHE 1 -5.726 -12.179 3.099 3 H3 PHE 1 HT3 PHE 1 -5.470 -13.548 2.125 4 HA PHE 1 HA PHE 1 -5.974 -10.767 1.337 5 HB2 PHE 1 HB2 PHE 1 -3.697 -11.961 1.492 6 HB3 PHE 1 HB1 PHE 1 -4.190 -12.871 0.076 7 HD1 PHE 1 HD2 PHE 1 -5.744 -9.906 -0.661 8 HD2 PHE 1 HD1 PHE 1 -1.790 -11.443 -0.079 9 HE1 PHE 1 HE2 PHE 1 -4.844 -8.129 -2.060 10 HE2 PHE 1 HE1 PHE 1 -0.886 -9.644 -1.485 11 HZ PHE 1 HZ PHE 1 -2.401 -7.980 -2.479 12 H VAL 2 HN VAL 2 -8.090 -12.836 1.187 13 HA VAL 2 HA VAL 2 -8.270 -13.412 -1.726 14 HB VAL 2 HB VAL 2 -10.450 -14.611 -0.769 15 HG11 VAL 2 HG11 VAL 2 -8.592 -15.829 -1.745 16 HG12 VAL 2 HG12 VAL 2 -9.042 -16.602 -0.224 17 HG13 VAL 2 HG13 VAL 2 -7.616 -15.567 -0.299 18 HG21 VAL 2 HG21 VAL 2 -10.386 -15.152 1.530 19 HG22 VAL 2 HG22 VAL 2 -9.953 -13.443 1.509 20 HG23 VAL 2 HG23 VAL 2 -8.699 -14.667 1.693 21 H ASN 3 HN ASN 3 -11.082 -12.935 0.268 22 HA ASN 3 HA ASN 3 -11.937 -10.684 -1.498 23 HB2 ASN 3 HB2 ASN 3 -13.650 -12.450 0.269 24 HB3 ASN 3 HB1 ASN 3 -14.208 -11.319 -0.965 25 HD21 ASN 3 HD21 ASN 3 -15.188 -12.950 -2.315 26 HD22 ASN 3 HD22 ASN 3 -14.263 -14.110 -3.141 27 H GLN 4 HN GLN 4 -10.216 -10.470 0.922 28 HA GLN 4 HA GLN 4 -11.997 -9.043 2.821 29 HB2 GLN 4 HB2 GLN 4 -9.570 -8.773 3.943 30 HB3 GLN 4 HB1 GLN 4 -10.516 -10.245 4.116 31 HG2 GLN 4 HG2 GLN 4 -9.316 -11.277 2.242 32 HG3 GLN 4 HG1 GLN 4 -8.397 -9.790 1.995 33 HE21 GLN 4 HE21 GLN 4 -8.219 -12.800 3.442 34 HE22 GLN 4 HE22 GLN 4 -7.048 -12.464 4.621 35 H HIS 5 HN HIS 5 -11.388 -6.864 3.507 36 HA HIS 5 HA HIS 5 -10.624 -5.205 1.190 37 HB2 HIS 5 HB2 HIS 5 -11.304 -3.341 2.829 38 HB3 HIS 5 HB1 HIS 5 -12.575 -4.442 2.303 39 HD2 HIS 5 HD2 HIS 5 -10.827 -3.360 5.585 40 HE1 HIS 5 HE1 HIS 5 -13.303 -6.648 6.537 41 HE2 HIS 5 HE2 HIS 5 -11.863 -4.785 7.496 42 H LEU 6 HN LEU 6 -8.698 -4.182 1.004 43 HA LEU 6 HA LEU 6 -6.708 -4.443 3.199 44 HB2 LEU 6 HB2 LEU 6 -6.599 -3.922 0.243 45 HB3 LEU 6 HB1 LEU 6 -5.314 -3.264 1.225 46 HG LEU 6 HG LEU 6 -4.458 -5.351 1.789 47 HD11 LEU 6 HD11 LEU 6 -7.266 -6.336 1.509 48 HD12 LEU 6 HD12 LEU 6 -6.114 -6.586 2.819 49 HD13 LEU 6 HD13 LEU 6 -5.947 -7.486 1.321 50 HD21 LEU 6 HD21 LEU 6 -4.181 -5.115 -0.604 51 HD22 LEU 6 HD22 LEU 6 -5.812 -5.725 -0.898 52 HD23 LEU 6 HD23 LEU 6 -4.584 -6.782 -0.255 53 H CYS 7 HN CYS 7 -6.286 -2.724 4.501 54 HA CYS 7 HA CYS 7 -6.770 0.030 3.472 55 HB2 CYS 7 HB2 CYS 7 -7.895 -1.045 6.080 56 HB3 CYS 7 HB1 CYS 7 -7.971 0.635 5.546 57 H GLY 8 HN GLY 8 -5.034 1.244 3.938 58 HA2 GLY 8 HA2 GLY 8 -3.165 2.083 5.102 59 HA3 GLY 8 HA1 GLY 8 -3.702 1.167 6.509 60 H SER 9 HN SER 9 -1.575 0.435 6.972 61 HA SER 9 HA SER 9 0.357 -0.659 5.327 62 HB2 SER 9 HB2 SER 9 -0.546 -1.580 8.064 63 HB3 SER 9 HB1 SER 9 0.892 -2.214 7.268 64 HG SER 9 HG SER 9 1.380 0.171 7.014 65 H ASP 10 HN ASP 10 -2.719 -2.156 6.203 66 HA ASP 10 HA ASP 10 -2.230 -4.834 5.556 67 HB2 ASP 10 HB2 ASP 10 -4.637 -3.059 5.139 68 HB3 ASP 10 HB1 ASP 10 -4.665 -4.749 4.637 69 H LEU 11 HN LEU 11 -3.185 -2.222 3.307 70 HA LEU 11 HA LEU 11 -3.083 -3.733 0.940 71 HB2 LEU 11 HB2 LEU 11 -3.936 -1.450 0.887 72 HB3 LEU 11 HB1 LEU 11 -2.378 -0.817 1.406 73 HG LEU 11 HG LEU 11 -1.342 -1.458 -0.683 74 HD11 LEU 11 HD11 LEU 11 -2.802 -2.484 -2.471 75 HD12 LEU 11 HD12 LEU 11 -3.957 -2.862 -1.202 76 HD13 LEU 11 HD13 LEU 11 -2.337 -3.561 -1.168 77 HD21 LEU 11 HD21 LEU 11 -2.649 -0.156 -2.302 78 HD22 LEU 11 HD22 LEU 11 -2.652 0.648 -0.732 79 HD23 LEU 11 HD23 LEU 11 -4.068 -0.262 -1.261 80 H VAL 12 HN VAL 12 -0.467 -1.774 2.386 81 HA VAL 12 HA VAL 12 1.592 -2.328 0.601 82 HB VAL 12 HB VAL 12 1.945 -2.354 3.608 83 HG11 VAL 12 HG11 VAL 12 3.878 -2.864 1.944 84 HG12 VAL 12 HG12 VAL 12 4.150 -1.637 3.177 85 HG13 VAL 12 HG13 VAL 12 3.771 -1.154 1.526 86 HG21 VAL 12 HG21 VAL 12 0.541 -0.445 3.006 87 HG22 VAL 12 HG22 VAL 12 1.641 -0.017 1.698 88 HG23 VAL 12 HG23 VAL 12 2.168 0.126 3.374 89 H GLU 13 HN GLU 13 1.184 -4.192 3.639 90 HA GLU 13 HA GLU 13 2.911 -6.298 3.040 91 HB2 GLU 13 HB2 GLU 13 0.219 -6.564 4.412 92 HB3 GLU 13 HB1 GLU 13 1.582 -7.672 4.568 93 HG2 GLU 13 HG2 GLU 13 2.951 -5.868 5.539 94 HG3 GLU 13 HG1 GLU 13 1.598 -4.748 5.374 95 H ALA 14 HN ALA 14 -0.275 -5.664 1.733 96 HA ALA 14 HA ALA 14 -0.518 -8.311 0.522 97 HB1 ALA 14 HB1 ALA 14 -2.272 -6.465 -0.777 98 HB2 ALA 14 HB2 ALA 14 -2.218 -6.017 0.922 99 HB3 ALA 14 HB3 ALA 14 -2.673 -7.655 0.466 100 H LEU 15 HN LEU 15 0.029 -5.004 -0.847 101 HA LEU 15 HA LEU 15 0.506 -5.847 -3.480 102 HB2 LEU 15 HB2 LEU 15 1.757 -3.604 -1.896 103 HB3 LEU 15 HB1 LEU 15 2.167 -3.883 -3.585 104 HG LEU 15 HG LEU 15 -0.740 -3.661 -2.804 105 HD11 LEU 15 HD11 LEU 15 0.950 -1.263 -3.563 106 HD12 LEU 15 HD12 LEU 15 0.600 -1.658 -1.884 107 HD13 LEU 15 HD13 LEU 15 -0.716 -1.279 -2.991 108 HD21 LEU 15 HD21 LEU 15 0.001 -4.348 -5.120 109 HD22 LEU 15 HD22 LEU 15 0.770 -2.774 -5.279 110 HD23 LEU 15 HD23 LEU 15 -0.977 -2.884 -5.088 111 H TYR 16 HN TYR 16 2.632 -5.953 -0.662 112 HA TYR 16 HA TYR 16 5.090 -6.520 -1.854 113 HB2 TYR 16 HB2 TYR 16 4.855 -6.277 0.550 114 HB3 TYR 16 HB1 TYR 16 3.904 -7.756 0.636 115 HD1 TYR 16 HD2 TYR 16 7.180 -6.602 -0.812 116 HD2 TYR 16 HD1 TYR 16 5.048 -9.680 1.281 117 HE1 TYR 16 HE2 TYR 16 9.270 -7.924 -0.630 118 HE2 TYR 16 HE1 TYR 16 7.137 -11.007 1.465 119 HH TYR 16 HH TYR 16 10.027 -10.119 -0.254 120 H LEU 17 HN LEU 17 2.531 -8.950 -1.103 121 HA LEU 17 HA LEU 17 4.025 -11.113 -2.317 122 HB2 LEU 17 HB2 LEU 17 1.021 -10.867 -1.970 123 HB3 LEU 17 HB1 LEU 17 1.897 -12.335 -2.343 124 HG LEU 17 HG LEU 17 3.180 -11.998 -0.171 125 HD11 LEU 17 HD11 LEU 17 1.617 -10.627 1.488 126 HD12 LEU 17 HD12 LEU 17 1.169 -9.774 0.016 127 HD13 LEU 17 HD13 LEU 17 2.846 -9.812 0.533 128 HD21 LEU 17 HD21 LEU 17 0.215 -12.574 -0.307 129 HD22 LEU 17 HD22 LEU 17 1.102 -12.735 1.207 130 HD23 LEU 17 HD23 LEU 17 1.550 -13.717 -0.187 131 H VAL 18 HN VAL 18 1.281 -9.142 -3.429 132 HA VAL 18 HA VAL 18 0.959 -10.169 -6.006 133 HB VAL 18 HB VAL 18 0.856 -7.240 -5.244 134 HG11 VAL 18 HG11 VAL 18 0.713 -7.849 -7.687 135 HG12 VAL 18 HG12 VAL 18 -0.675 -6.989 -7.042 136 HG13 VAL 18 HG13 VAL 18 -0.763 -8.726 -7.301 137 HG21 VAL 18 HG21 VAL 18 -1.327 -9.334 -5.102 138 HG22 VAL 18 HG22 VAL 18 -1.489 -7.629 -4.683 139 HG23 VAL 18 HG23 VAL 18 -0.469 -8.685 -3.706 140 H CYS 19 HN CYS 19 2.973 -7.354 -5.164 141 HA CYS 19 HA CYS 19 4.281 -7.359 -7.755 142 HB2 CYS 19 HB2 CYS 19 5.284 -5.934 -5.296 143 HB3 CYS 19 HB1 CYS 19 5.391 -5.434 -6.980 144 H GLY 20 HN GLY 20 4.880 -8.829 -4.680 145 HA2 GLY 20 HA2 GLY 20 6.664 -10.150 -3.904 146 HA3 GLY 20 HA1 GLY 20 6.773 -10.672 -5.581 147 H GLU 21 HN GLU 21 8.789 -10.418 -6.368 148 HA GLU 21 HA GLU 21 10.685 -8.591 -5.103 149 HB2 GLU 21 HB2 GLU 21 10.894 -10.401 -7.522 150 HB3 GLU 21 HB1 GLU 21 12.239 -9.460 -6.875 151 HG2 GLU 21 HG2 GLU 21 11.995 -10.600 -4.702 152 HG3 GLU 21 HG1 GLU 21 10.648 -11.539 -5.345 153 H ARG 22 HN ARG 22 8.458 -8.378 -7.716 154 HA ARG 22 HA ARG 22 9.796 -6.628 -9.478 155 HB2 ARG 22 HB2 ARG 22 6.870 -6.575 -8.683 156 HB3 ARG 22 HB1 ARG 22 7.555 -5.834 -10.127 157 HG2 ARG 22 HG2 ARG 22 8.134 -7.948 -11.069 158 HG3 ARG 22 HG1 ARG 22 7.902 -8.778 -9.540 159 HD2 ARG 22 HD2 ARG 22 5.707 -9.138 -10.004 160 HD3 ARG 22 HD1 ARG 22 5.426 -7.430 -10.291 161 HE ARG 22 HE ARG 22 5.542 -9.468 -12.280 162 HH11 ARG 22 HH21 ARG 22 6.897 -6.358 -11.661 163 HH12 ARG 22 HH22 ARG 22 7.228 -6.031 -13.326 164 HH21 ARG 22 HH11 ARG 22 5.963 -9.052 -14.446 165 HH22 ARG 22 HH12 ARG 22 6.699 -7.552 -14.901 166 H GLY 23 HN GLY 23 8.422 -6.034 -6.306 167 HA2 GLY 23 HA2 GLY 23 8.752 -4.163 -4.913 168 HA3 GLY 23 HA1 GLY 23 9.767 -3.452 -6.173 169 H PHE 24 HN PHE 24 7.688 -2.027 -4.701 170 HA PHE 24 HA PHE 24 6.191 -1.033 -7.018 171 HB2 PHE 24 HB2 PHE 24 4.000 -1.419 -6.098 172 HB3 PHE 24 HB1 PHE 24 4.861 -2.955 -6.112 173 HD1 PHE 24 HD1 PHE 24 5.649 -3.993 -4.051 174 HD2 PHE 24 HD2 PHE 24 3.561 -0.239 -3.981 175 HE1 PHE 24 HE1 PHE 24 5.314 -4.222 -1.606 176 HE2 PHE 24 HE2 PHE 24 3.218 -0.481 -1.538 177 HZ PHE 24 HZ PHE 24 4.095 -2.468 -0.355 178 H PHE 25 HN PHE 25 4.712 0.783 -6.269 179 HA PHE 25 HA PHE 25 6.047 2.366 -4.098 180 HB2 PHE 25 HB2 PHE 25 5.296 4.365 -5.421 181 HB3 PHE 25 HB1 PHE 25 6.456 3.358 -6.290 182 HD1 PHE 25 HD1 PHE 25 2.831 4.153 -5.941 183 HD2 PHE 25 HD2 PHE 25 5.857 2.225 -8.306 184 HE1 PHE 25 HE1 PHE 25 1.182 3.818 -7.772 185 HE2 PHE 25 HE2 PHE 25 4.215 1.895 -10.135 186 HZ PHE 25 HZ PHE 25 1.882 2.691 -9.868 187 H TYR 26 HN TYR 26 4.690 3.291 -2.560 188 HA TYR 26 HA TYR 26 1.919 2.348 -2.529 189 HB2 TYR 26 HB2 TYR 26 3.517 2.745 -0.475 190 HB3 TYR 26 HB1 TYR 26 2.992 4.424 -0.612 191 HD1 TYR 26 HD1 TYR 26 1.560 0.951 -0.614 192 HD2 TYR 26 HD2 TYR 26 1.023 5.064 0.513 193 HE1 TYR 26 HE1 TYR 26 -0.572 0.383 0.518 194 HE2 TYR 26 HE2 TYR 26 -1.099 4.481 1.649 195 HH TYR 26 HH TYR 26 -1.939 1.668 2.636 196 H THR 27 HN THR 27 0.168 4.124 -2.041 197 HA THR 27 HA THR 27 0.086 5.831 -4.330 198 HB THR 27 HB THR 27 -1.953 5.024 -3.239 199 HG1 THR 27 HG1 THR 27 -3.021 6.999 -3.316 200 HG21 THR 27 HG21 THR 27 -1.141 5.147 -0.910 201 HG22 THR 27 HG22 THR 27 -2.678 5.973 -1.098 202 HG23 THR 27 HG23 THR 27 -1.184 6.904 -0.987 203 H ASP 28 HN ASP 28 -0.447 8.275 -4.000 204 HA ASP 28 HA ASP 28 1.846 9.657 -3.424 205 HB2 ASP 28 HB2 ASP 28 -0.947 10.312 -3.863 206 HB3 ASP 28 HB1 ASP 28 -0.243 11.463 -2.737 207 HA PRO 29 HA PRO 29 2.174 9.675 1.054 208 HB2 PRO 29 HB2 PRO 29 3.808 11.877 1.392 209 HB3 PRO 29 HB1 PRO 29 4.391 10.313 0.803 210 HG2 PRO 29 HG2 PRO 29 3.859 12.825 -0.731 211 HG3 PRO 29 HG1 PRO 29 5.049 11.554 -1.043 212 HD2 PRO 29 HD2 PRO 29 2.615 11.843 -2.411 213 HD3 PRO 29 HD1 PRO 29 3.603 10.365 -2.356 214 H THR 30 HN THR 30 0.610 12.152 -0.686 215 HA THR 30 HA THR 30 0.267 14.226 1.160 216 HB THR 30 HB THR 30 -1.779 14.777 -0.039 217 HG1 THR 30 HG1 THR 30 -2.951 13.270 -0.902 218 HG21 THR 30 HG21 THR 30 0.344 13.529 -1.809 219 HG22 THR 30 HG22 THR 30 0.328 15.184 -1.206 220 HG23 THR 30 HG23 THR 30 -0.891 14.657 -2.366 221 H GLY 31 HN GLY 31 -1.558 11.173 0.999 222 HA2 GLY 31 HA2 GLY 31 -2.823 10.123 2.681 223 HA3 GLY 31 HA1 GLY 31 -2.071 11.228 3.826 224 H GLY 32 HN GLY 32 -3.204 13.466 1.924 225 HA2 GLY 32 HA2 GLY 32 -5.820 13.632 3.343 226 HA3 GLY 32 HA1 GLY 32 -4.993 14.976 2.552 227 H GLY 33 HN GLY 33 -4.490 12.849 0.338 228 HA2 GLY 33 HA2 GLY 33 -6.988 12.181 -0.853 229 HA3 GLY 33 HA1 GLY 33 -6.442 13.727 -1.512 230 HA PRO 34 HA PRO 34 -2.811 10.828 -2.591 231 HB2 PRO 34 HB2 PRO 34 -3.021 8.183 -1.731 232 HB3 PRO 34 HB1 PRO 34 -2.143 9.444 -0.863 233 HG2 PRO 34 HG2 PRO 34 -4.815 8.254 -0.281 234 HG3 PRO 34 HG1 PRO 34 -3.637 8.962 0.839 235 HD2 PRO 34 HD2 PRO 34 -5.966 10.247 -0.029 236 HD3 PRO 34 HD1 PRO 34 -4.536 11.066 0.630 237 H ARG 35 HN ARG 35 -2.645 8.573 -3.940 238 HA ARG 35 HA ARG 35 -4.523 8.713 -6.056 239 HB2 ARG 35 HB2 ARG 35 -2.187 7.538 -5.922 240 HB3 ARG 35 HB1 ARG 35 -3.093 6.147 -5.335 241 HG2 ARG 35 HG2 ARG 35 -4.490 6.183 -7.351 242 HG3 ARG 35 HG1 ARG 35 -3.613 7.589 -7.954 243 HD2 ARG 35 HD2 ARG 35 -1.524 5.894 -7.461 244 HD3 ARG 35 HD1 ARG 35 -2.773 4.727 -7.884 245 HE ARG 35 HE ARG 35 -1.327 6.279 -9.736 246 HH11 ARG 35 HH21 ARG 35 -4.632 5.650 -8.949 247 HH12 ARG 35 HH22 ARG 35 -5.222 6.146 -10.495 248 HH21 ARG 35 HH11 ARG 35 -2.087 6.905 -11.750 249 HH22 ARG 35 HH12 ARG 35 -3.787 6.848 -12.081 250 H ARG 36 HN ARG 36 -6.620 8.734 -4.981 251 HA ARG 36 HA ARG 36 -7.525 6.677 -3.231 252 HB2 ARG 36 HB2 ARG 36 -9.853 7.399 -4.305 253 HB3 ARG 36 HB1 ARG 36 -8.977 8.499 -3.242 254 HG2 ARG 36 HG2 ARG 36 -8.090 9.740 -5.054 255 HG3 ARG 36 HG1 ARG 36 -8.525 8.504 -6.226 256 HD2 ARG 36 HD2 ARG 36 -10.993 9.032 -5.380 257 HD3 ARG 36 HD1 ARG 36 -10.272 10.561 -4.894 258 HE ARG 36 HE ARG 36 -11.043 9.863 -7.536 259 HH11 ARG 36 HH21 ARG 36 -8.324 11.187 -5.866 260 HH12 ARG 36 HH22 ARG 36 -7.604 11.833 -7.298 261 HH21 ARG 36 HH11 ARG 36 -10.125 10.724 -9.393 262 HH22 ARG 36 HH12 ARG 36 -8.624 11.581 -9.288 263 H GLY 37 HN GLY 37 -6.438 6.321 -6.304 264 HA2 GLY 37 HA2 GLY 37 -8.440 4.480 -7.331 265 HA3 GLY 37 HA1 GLY 37 -6.842 4.759 -8.020 266 H ILE 38 HN ILE 38 -5.630 4.215 -5.248 267 HA ILE 38 HA ILE 38 -5.706 1.249 -5.522 268 HB ILE 38 HB ILE 38 -3.542 2.922 -5.486 269 HG12 ILE 38 HG12 ILE 38 -3.195 0.738 -6.236 270 HG13 ILE 38 HG11 ILE 38 -2.201 0.804 -4.800 271 HG21 ILE 38 HG21 ILE 38 -3.770 3.556 -3.143 272 HG22 ILE 38 HG22 ILE 38 -2.317 2.596 -3.372 273 HG23 ILE 38 HG23 ILE 38 -3.741 1.865 -2.648 274 HD11 ILE 38 HD11 ILE 38 -4.523 -0.099 -3.709 275 HD12 ILE 38 HD12 ILE 38 -3.273 -1.156 -4.334 276 HD13 ILE 38 HD13 ILE 38 -4.667 -0.774 -5.332 277 H VAL 39 HN VAL 39 -5.502 3.651 -2.862 278 HA VAL 39 HA VAL 39 -6.083 1.780 -0.815 279 HB VAL 39 HB VAL 39 -6.876 4.689 -0.665 280 HG11 VAL 39 HG11 VAL 39 -5.632 2.814 1.368 281 HG12 VAL 39 HG12 VAL 39 -7.366 3.102 1.226 282 HG13 VAL 39 HG13 VAL 39 -6.286 4.424 1.670 283 HG21 VAL 39 HG21 VAL 39 -4.385 4.885 0.182 284 HG22 VAL 39 HG22 VAL 39 -4.716 4.934 -1.546 285 HG23 VAL 39 HG23 VAL 39 -4.127 3.446 -0.806 286 H GLU 40 HN GLU 40 -8.389 4.267 -2.018 287 HA GLU 40 HA GLU 40 -10.644 3.176 -0.732 288 HB2 GLU 40 HB2 GLU 40 -10.594 4.571 -3.418 289 HB3 GLU 40 HB1 GLU 40 -11.996 4.397 -2.364 290 HG2 GLU 40 HG2 GLU 40 -10.630 5.589 -0.567 291 HG3 GLU 40 HG1 GLU 40 -9.475 5.984 -1.840 292 H GLN 41 HN GLN 41 -9.501 2.514 -4.056 293 HA GLN 41 HA GLN 41 -11.486 0.801 -4.945 294 HB2 GLN 41 HB2 GLN 41 -9.363 1.475 -6.164 295 HB3 GLN 41 HB1 GLN 41 -8.540 0.174 -5.302 296 HG2 GLN 41 HG2 GLN 41 -10.040 -1.477 -6.265 297 HG3 GLN 41 HG1 GLN 41 -11.018 -0.214 -7.009 298 HE21 GLN 41 HE21 GLN 41 -10.634 -0.675 -9.196 299 HE22 GLN 41 HE22 GLN 41 -9.099 -0.613 -9.903 300 H CYS 42 HN CYS 42 -8.575 -0.334 -3.192 301 HA CYS 42 HA CYS 42 -9.866 -2.926 -2.719 302 HB2 CYS 42 HB2 CYS 42 -7.195 -1.856 -1.781 303 HB3 CYS 42 HB1 CYS 42 -7.734 -3.531 -1.691 304 H CYS 43 HN CYS 43 -9.312 0.017 -0.864 305 HA CYS 43 HA CYS 43 -9.911 -1.323 1.685 306 HB2 CYS 43 HB2 CYS 43 -8.365 0.642 1.590 307 HB3 CYS 43 HB1 CYS 43 -9.728 1.647 1.087 308 H HIS 44 HN HIS 44 -11.533 1.156 -0.329 309 HA HIS 44 HA HIS 44 -13.964 1.043 1.231 310 HB2 HIS 44 HB2 HIS 44 -13.269 2.980 -0.232 311 HB3 HIS 44 HB1 HIS 44 -13.664 1.983 -1.633 312 HD2 HIS 44 HD2 HIS 44 -16.518 1.118 -1.613 313 HE1 HIS 44 HE1 HIS 44 -17.704 4.412 0.752 314 HE2 HIS 44 HE2 HIS 44 -18.524 2.520 -0.736 315 H SER 45 HN SER 45 -12.694 -0.784 -1.470 316 HA SER 45 HA SER 45 -15.155 -2.491 -1.386 317 HB2 SER 45 HB2 SER 45 -14.624 -2.697 -4.005 318 HB3 SER 45 HB1 SER 45 -15.660 -1.421 -3.378 319 HG SER 45 HG SER 45 -14.210 -0.306 -4.502 320 H ILE 46 HN ILE 46 -14.756 -4.664 -2.275 321 HA ILE 46 HA ILE 46 -12.133 -5.668 -1.432 322 HB ILE 46 HB ILE 46 -14.346 -7.275 -2.720 323 HG12 ILE 46 HG12 ILE 46 -15.431 -5.914 -1.010 324 HG13 ILE 46 HG11 ILE 46 -15.286 -7.571 -0.430 325 HG21 ILE 46 HG21 ILE 46 -12.177 -8.379 -2.233 326 HG22 ILE 46 HG22 ILE 46 -13.499 -9.035 -1.271 327 HG23 ILE 46 HG23 ILE 46 -12.344 -7.922 -0.537 328 HD11 ILE 46 HD11 ILE 46 -13.581 -5.194 0.335 329 HD12 ILE 46 HD12 ILE 46 -13.131 -6.851 0.731 330 HD13 ILE 46 HD13 ILE 46 -14.613 -6.161 1.384 331 H CYS 47 HN CYS 47 -10.581 -5.111 -2.992 332 HA CYS 47 HA CYS 47 -11.189 -5.608 -5.855 333 HB2 CYS 47 HB2 CYS 47 -9.222 -4.388 -6.348 334 HB3 CYS 47 HB1 CYS 47 -9.918 -3.544 -4.968 335 H SER 48 HN SER 48 -9.662 -6.903 -7.149 336 HA SER 48 HA SER 48 -8.781 -9.308 -5.647 337 HB2 SER 48 HB2 SER 48 -8.484 -9.150 -8.619 338 HB3 SER 48 HB1 SER 48 -9.047 -10.484 -7.618 339 HG SER 48 HG SER 48 -10.467 -8.085 -8.177 340 H LEU 49 HN LEU 49 -6.618 -10.237 -6.379 341 HA LEU 49 HA LEU 49 -4.512 -8.403 -5.864 342 HB2 LEU 49 HB2 LEU 49 -4.264 -11.000 -7.401 343 HB3 LEU 49 HB1 LEU 49 -3.014 -10.204 -6.452 344 HG LEU 49 HG LEU 49 -5.504 -11.603 -5.452 345 HD11 LEU 49 HD11 LEU 49 -3.909 -12.900 -4.149 346 HD12 LEU 49 HD12 LEU 49 -2.583 -11.861 -4.672 347 HD13 LEU 49 HD13 LEU 49 -3.392 -12.912 -5.836 348 HD21 LEU 49 HD21 LEU 49 -5.469 -9.628 -4.111 349 HD22 LEU 49 HD22 LEU 49 -3.709 -9.629 -4.049 350 HD23 LEU 49 HD23 LEU 49 -4.622 -10.847 -3.159 351 H TYR 50 HN TYR 50 -6.037 -9.497 -8.794 352 HA TYR 50 HA TYR 50 -4.346 -8.791 -10.825 353 HB2 TYR 50 HB2 TYR 50 -6.838 -9.609 -10.758 354 HB3 TYR 50 HB1 TYR 50 -7.225 -7.893 -10.884 355 HD1 TYR 50 HD2 TYR 50 -5.481 -10.701 -12.437 356 HD2 TYR 50 HD1 TYR 50 -6.877 -6.696 -12.909 357 HE1 TYR 50 HE2 TYR 50 -5.023 -10.846 -14.884 358 HE2 TYR 50 HE1 TYR 50 -6.428 -6.808 -15.355 359 HH TYR 50 HH TYR 50 -6.026 -8.287 -17.083 360 H GLN 51 HN GLN 51 -6.686 -6.584 -9.326 361 HA GLN 51 HA GLN 51 -5.717 -4.239 -10.643 362 HB2 GLN 51 HB2 GLN 51 -6.958 -4.234 -7.882 363 HB3 GLN 51 HB1 GLN 51 -7.048 -2.995 -9.129 364 HG2 GLN 51 HG2 GLN 51 -8.189 -4.819 -10.587 365 HG3 GLN 51 HG1 GLN 51 -8.439 -5.665 -9.061 366 HE21 GLN 51 HE21 GLN 51 -10.495 -4.400 -10.830 367 HE22 GLN 51 HE22 GLN 51 -11.295 -3.256 -9.865 368 H LEU 52 HN LEU 52 -4.892 -5.695 -7.507 369 HA LEU 52 HA LEU 52 -3.086 -3.649 -6.704 370 HB2 LEU 52 HB2 LEU 52 -3.044 -6.609 -6.103 371 HB3 LEU 52 HB1 LEU 52 -2.072 -5.404 -5.266 372 HG LEU 52 HG LEU 52 -5.105 -5.486 -5.351 373 HD11 LEU 52 HD11 LEU 52 -4.929 -6.046 -3.009 374 HD12 LEU 52 HD12 LEU 52 -3.174 -5.876 -3.055 375 HD13 LEU 52 HD13 LEU 52 -3.961 -7.188 -3.939 376 HD21 LEU 52 HD21 LEU 52 -4.726 -3.210 -5.088 377 HD22 LEU 52 HD22 LEU 52 -3.129 -3.455 -4.399 378 HD23 LEU 52 HD23 LEU 52 -4.562 -3.705 -3.403 379 H GLU 53 HN GLU 53 -2.840 -6.356 -8.855 380 HA GLU 53 HA GLU 53 0.019 -6.249 -9.187 381 HB2 GLU 53 HB2 GLU 53 -2.075 -7.955 -9.979 382 HB3 GLU 53 HB1 GLU 53 -1.490 -7.292 -11.503 383 HG2 GLU 53 HG2 GLU 53 0.892 -7.922 -10.476 384 HG3 GLU 53 HG1 GLU 53 -0.067 -9.034 -9.503 385 H ASN 54 HN ASN 54 -2.470 -4.212 -10.059 386 HA ASN 54 HA ASN 54 -1.435 -3.273 -12.608 387 HB2 ASN 54 HB2 ASN 54 -3.860 -3.117 -11.612 388 HB3 ASN 54 HB1 ASN 54 -3.261 -1.664 -10.814 389 HD21 ASN 54 HD21 ASN 54 -5.281 -1.851 -13.002 390 HD22 ASN 54 HD22 ASN 54 -4.664 -0.927 -14.282 391 H TYR 55 HN TYR 55 -0.932 -2.485 -9.235 392 HA TYR 55 HA TYR 55 0.662 -0.070 -9.982 393 HB2 TYR 55 HB2 TYR 55 0.010 -1.002 -7.185 394 HB3 TYR 55 HB1 TYR 55 0.434 0.617 -7.728 395 HD1 TYR 55 HD2 TYR 55 -2.168 -1.969 -7.763 396 HD2 TYR 55 HD1 TYR 55 -1.199 2.084 -8.690 397 HE1 TYR 55 HE2 TYR 55 -4.591 -1.490 -8.123 398 HE2 TYR 55 HE1 TYR 55 -3.604 2.583 -9.062 399 HH TYR 55 HH TYR 55 -5.877 0.363 -9.600 400 H CYS 56 HN CYS 56 1.251 -3.271 -9.789 401 HA CYS 56 HA CYS 56 3.599 -3.230 -8.049 402 HB2 CYS 56 HB2 CYS 56 2.518 -5.249 -10.023 403 HB3 CYS 56 HB1 CYS 56 4.019 -5.494 -9.139 404 H ASN 57 HN ASN 57 5.200 -1.863 -8.755 405 HA ASN 57 HA ASN 57 6.799 -0.910 -10.190 406 HB2 ASN 57 HB2 ASN 57 7.686 -3.213 -9.949 407 HB3 ASN 57 HB1 ASN 57 6.725 -3.715 -11.339 408 HD21 ASN 57 HD21 ASN 57 9.699 -3.699 -11.137 409 HD22 ASN 57 HD22 ASN 57 10.246 -2.671 -12.373 Start of MODEL 9 1 H1 PHE 1 HT1 PHE 1 -4.849 -13.187 2.952 2 H2 PHE 1 HT2 PHE 1 -6.512 -12.844 2.902 3 H3 PHE 1 HT3 PHE 1 -5.458 -11.828 3.764 4 HA PHE 1 HA PHE 1 -5.601 -10.580 1.919 5 HB2 PHE 1 HB2 PHE 1 -3.270 -11.642 2.149 6 HB3 PHE 1 HB1 PHE 1 -3.714 -12.677 0.803 7 HD1 PHE 1 HD2 PHE 1 -5.406 -9.831 -0.124 8 HD2 PHE 1 HD1 PHE 1 -1.386 -11.169 0.513 9 HE1 PHE 1 HE2 PHE 1 -4.590 -8.122 -1.652 10 HE2 PHE 1 HE1 PHE 1 -0.570 -9.437 -1.023 11 HZ PHE 1 HZ PHE 1 -2.161 -7.905 -2.111 12 H VAL 2 HN VAL 2 -7.633 -12.713 1.890 13 HA VAL 2 HA VAL 2 -7.799 -13.428 -1.005 14 HB VAL 2 HB VAL 2 -9.784 -14.844 0.014 15 HG11 VAL 2 HG11 VAL 2 -6.883 -15.483 0.626 16 HG12 VAL 2 HG12 VAL 2 -7.693 -15.785 -0.911 17 HG13 VAL 2 HG13 VAL 2 -8.199 -16.653 0.538 18 HG21 VAL 2 HG21 VAL 2 -8.060 -14.645 2.486 19 HG22 VAL 2 HG22 VAL 2 -9.707 -15.256 2.330 20 HG23 VAL 2 HG23 VAL 2 -9.400 -13.523 2.257 21 H ASN 3 HN ASN 3 -10.602 -13.211 1.059 22 HA ASN 3 HA ASN 3 -11.756 -11.159 -0.763 23 HB2 ASN 3 HB2 ASN 3 -13.213 -12.784 1.331 24 HB3 ASN 3 HB1 ASN 3 -13.905 -11.920 -0.039 25 HD21 ASN 3 HD21 ASN 3 -14.295 -13.174 -1.851 26 HD22 ASN 3 HD22 ASN 3 -13.554 -14.664 -2.190 27 H GLN 4 HN GLN 4 -9.867 -10.618 1.514 28 HA GLN 4 HA GLN 4 -11.611 -9.098 3.380 29 HB2 GLN 4 HB2 GLN 4 -9.156 -8.629 4.358 30 HB3 GLN 4 HB1 GLN 4 -10.014 -10.129 4.689 31 HG2 GLN 4 HG2 GLN 4 -8.847 -11.248 2.846 32 HG3 GLN 4 HG1 GLN 4 -8.022 -9.742 2.436 33 HE21 GLN 4 HE21 GLN 4 -7.797 -12.582 4.300 34 HE22 GLN 4 HE22 GLN 4 -6.516 -12.111 5.306 35 H HIS 5 HN HIS 5 -11.064 -6.843 3.837 36 HA HIS 5 HA HIS 5 -10.401 -5.384 1.341 37 HB2 HIS 5 HB2 HIS 5 -11.205 -3.408 2.855 38 HB3 HIS 5 HB1 HIS 5 -12.396 -4.562 2.265 39 HD2 HIS 5 HD2 HIS 5 -10.732 -3.508 5.651 40 HE1 HIS 5 HE1 HIS 5 -13.593 -6.501 6.490 41 HE2 HIS 5 HE2 HIS 5 -12.008 -4.797 7.514 42 H LEU 6 HN LEU 6 -8.601 -4.129 1.127 43 HA LEU 6 HA LEU 6 -6.607 -4.151 3.341 44 HB2 LEU 6 HB2 LEU 6 -6.501 -3.828 0.355 45 HB3 LEU 6 HB1 LEU 6 -5.252 -3.055 1.302 46 HG LEU 6 HG LEU 6 -4.304 -5.063 1.984 47 HD11 LEU 6 HD11 LEU 6 -5.689 -7.288 1.699 48 HD12 LEU 6 HD12 LEU 6 -7.066 -6.198 1.790 49 HD13 LEU 6 HD13 LEU 6 -5.914 -6.278 3.121 50 HD21 LEU 6 HD21 LEU 6 -4.381 -6.639 0.051 51 HD22 LEU 6 HD22 LEU 6 -4.063 -4.986 -0.426 52 HD23 LEU 6 HD23 LEU 6 -5.666 -5.688 -0.652 53 H CYS 7 HN CYS 7 -6.199 -2.316 4.479 54 HA CYS 7 HA CYS 7 -6.854 0.326 3.279 55 HB2 CYS 7 HB2 CYS 7 -7.886 -0.620 5.973 56 HB3 CYS 7 HB1 CYS 7 -8.035 1.022 5.344 57 H GLY 8 HN GLY 8 -5.156 1.647 3.623 58 HA2 GLY 8 HA2 GLY 8 -3.308 2.645 4.689 59 HA3 GLY 8 HA1 GLY 8 -3.789 1.817 6.169 60 H SER 9 HN SER 9 -1.623 1.216 6.651 61 HA SER 9 HA SER 9 0.331 0.075 5.062 62 HB2 SER 9 HB2 SER 9 -0.426 -0.934 7.819 63 HB3 SER 9 HB1 SER 9 1.149 -1.082 7.044 64 HG SER 9 HG SER 9 1.491 0.760 8.016 65 H ASP 10 HN ASP 10 -2.658 -1.478 6.129 66 HA ASP 10 HA ASP 10 -2.080 -4.175 5.683 67 HB2 ASP 10 HB2 ASP 10 -4.552 -2.524 5.159 68 HB3 ASP 10 HB1 ASP 10 -4.528 -4.246 4.783 69 H LEU 11 HN LEU 11 -3.128 -1.775 3.252 70 HA LEU 11 HA LEU 11 -3.005 -3.458 1.001 71 HB2 LEU 11 HB2 LEU 11 -3.943 -1.222 0.792 72 HB3 LEU 11 HB1 LEU 11 -2.410 -0.492 1.253 73 HG LEU 11 HG LEU 11 -1.361 -1.230 -0.795 74 HD11 LEU 11 HD11 LEU 11 -2.781 -2.439 -2.496 75 HD12 LEU 11 HD12 LEU 11 -3.919 -2.773 -1.198 76 HD13 LEU 11 HD13 LEU 11 -2.273 -3.402 -1.122 77 HD21 LEU 11 HD21 LEU 11 -4.140 -0.181 -1.404 78 HD22 LEU 11 HD22 LEU 11 -2.752 -0.110 -2.489 79 HD23 LEU 11 HD23 LEU 11 -2.742 0.810 -0.985 80 H VAL 12 HN VAL 12 -0.448 -1.278 2.227 81 HA VAL 12 HA VAL 12 1.614 -1.901 0.476 82 HB VAL 12 HB VAL 12 1.998 -1.680 3.472 83 HG11 VAL 12 HG11 VAL 12 3.935 -2.255 1.841 84 HG12 VAL 12 HG12 VAL 12 4.172 -0.917 2.960 85 HG13 VAL 12 HG13 VAL 12 3.762 -0.594 1.277 86 HG21 VAL 12 HG21 VAL 12 2.126 0.775 3.057 87 HG22 VAL 12 HG22 VAL 12 0.521 0.128 2.723 88 HG23 VAL 12 HG23 VAL 12 1.617 0.496 1.394 89 H GLU 13 HN GLU 13 1.315 -3.540 3.654 90 HA GLU 13 HA GLU 13 3.119 -5.616 3.191 91 HB2 GLU 13 HB2 GLU 13 0.460 -5.843 4.636 92 HB3 GLU 13 HB1 GLU 13 1.830 -6.938 4.821 93 HG2 GLU 13 HG2 GLU 13 3.210 -4.918 5.507 94 HG3 GLU 13 HG1 GLU 13 1.699 -4.010 5.574 95 H ALA 14 HN ALA 14 -0.093 -5.200 1.873 96 HA ALA 14 HA ALA 14 -0.243 -7.944 0.868 97 HB1 ALA 14 HB1 ALA 14 -2.036 -5.704 1.143 98 HB2 ALA 14 HB2 ALA 14 -2.427 -7.384 0.804 99 HB3 ALA 14 HB3 ALA 14 -2.097 -6.267 -0.524 100 H LEU 15 HN LEU 15 0.143 -4.720 -0.738 101 HA LEU 15 HA LEU 15 0.619 -5.724 -3.314 102 HB2 LEU 15 HB2 LEU 15 1.799 -3.330 -1.906 103 HB3 LEU 15 HB1 LEU 15 2.204 -3.710 -3.577 104 HG LEU 15 HG LEU 15 -0.702 -3.544 -2.779 105 HD11 LEU 15 HD11 LEU 15 0.879 -1.139 -3.724 106 HD12 LEU 15 HD12 LEU 15 0.573 -1.432 -2.016 107 HD13 LEU 15 HD13 LEU 15 -0.775 -1.184 -3.121 108 HD21 LEU 15 HD21 LEU 15 -0.988 -2.939 -5.108 109 HD22 LEU 15 HD22 LEU 15 0.045 -4.363 -5.048 110 HD23 LEU 15 HD23 LEU 15 0.751 -2.775 -5.325 111 H TYR 16 HN TYR 16 2.772 -5.557 -0.525 112 HA TYR 16 HA TYR 16 5.241 -6.099 -1.704 113 HB2 TYR 16 HB2 TYR 16 5.018 -5.696 0.679 114 HB3 TYR 16 HB1 TYR 16 4.134 -7.205 0.881 115 HD1 TYR 16 HD2 TYR 16 7.341 -6.017 -0.688 116 HD2 TYR 16 HD1 TYR 16 5.368 -9.026 1.647 117 HE1 TYR 16 HE2 TYR 16 9.489 -7.232 -0.440 118 HE2 TYR 16 HE1 TYR 16 7.514 -10.245 1.898 119 HH TYR 16 HH TYR 16 10.513 -8.996 0.418 120 H LEU 17 HN LEU 17 2.797 -8.579 -0.757 121 HA LEU 17 HA LEU 17 4.379 -10.751 -1.836 122 HB2 LEU 17 HB2 LEU 17 1.368 -10.621 -1.482 123 HB3 LEU 17 HB1 LEU 17 2.314 -12.069 -1.751 124 HG LEU 17 HG LEU 17 3.586 -11.515 0.379 125 HD11 LEU 17 HD11 LEU 17 1.953 -10.092 1.938 126 HD12 LEU 17 HD12 LEU 17 1.493 -9.362 0.406 127 HD13 LEU 17 HD13 LEU 17 3.165 -9.307 0.938 128 HD21 LEU 17 HD21 LEU 17 0.653 -12.243 0.299 129 HD22 LEU 17 HD22 LEU 17 1.537 -12.230 1.823 130 HD23 LEU 17 HD23 LEU 17 2.044 -13.301 0.518 131 H VAL 18 HN VAL 18 1.550 -8.972 -3.050 132 HA VAL 18 HA VAL 18 1.244 -10.187 -5.547 133 HB VAL 18 HB VAL 18 1.022 -7.222 -4.979 134 HG11 VAL 18 HG11 VAL 18 0.880 -8.001 -7.377 135 HG12 VAL 18 HG12 VAL 18 -0.530 -7.149 -6.772 136 HG13 VAL 18 HG13 VAL 18 -0.559 -8.902 -6.913 137 HG21 VAL 18 HG21 VAL 18 -0.219 -8.623 -3.333 138 HG22 VAL 18 HG22 VAL 18 -1.064 -9.395 -4.674 139 HG23 VAL 18 HG23 VAL 18 -1.295 -7.676 -4.359 140 H CYS 19 HN CYS 19 3.142 -7.231 -4.938 141 HA CYS 19 HA CYS 19 4.424 -7.383 -7.538 142 HB2 CYS 19 HB2 CYS 19 5.408 -5.733 -5.217 143 HB3 CYS 19 HB1 CYS 19 5.463 -5.363 -6.935 144 H GLY 20 HN GLY 20 5.106 -8.582 -4.366 145 HA2 GLY 20 HA2 GLY 20 6.917 -9.819 -3.525 146 HA3 GLY 20 HA1 GLY 20 7.103 -10.382 -5.182 147 H GLU 21 HN GLU 21 9.222 -10.155 -5.695 148 HA GLU 21 HA GLU 21 10.883 -8.060 -4.544 149 HB2 GLU 21 HB2 GLU 21 11.378 -10.082 -6.746 150 HB3 GLU 21 HB1 GLU 21 12.608 -8.978 -6.131 151 HG2 GLU 21 HG2 GLU 21 12.124 -9.906 -3.816 152 HG3 GLU 21 HG1 GLU 21 11.146 -11.144 -4.604 153 H ARG 22 HN ARG 22 8.771 -8.203 -7.222 154 HA ARG 22 HA ARG 22 10.096 -6.592 -9.125 155 HB2 ARG 22 HB2 ARG 22 7.145 -6.484 -8.438 156 HB3 ARG 22 HB1 ARG 22 7.886 -6.019 -9.967 157 HG2 ARG 22 HG2 ARG 22 8.485 -8.280 -10.476 158 HG3 ARG 22 HG1 ARG 22 8.149 -8.815 -8.839 159 HD2 ARG 22 HD2 ARG 22 5.962 -9.184 -9.332 160 HD3 ARG 22 HD1 ARG 22 5.767 -7.565 -9.979 161 HE ARG 22 HE ARG 22 5.906 -9.973 -11.497 162 HH11 ARG 22 HH21 ARG 22 7.353 -6.840 -11.450 163 HH12 ARG 22 HH22 ARG 22 7.773 -6.873 -13.129 164 HH21 ARG 22 HH11 ARG 22 6.440 -10.023 -13.675 165 HH22 ARG 22 HH12 ARG 22 7.255 -8.671 -14.387 166 H GLY 23 HN GLY 23 8.616 -5.752 -6.064 167 HA2 GLY 23 HA2 GLY 23 8.829 -3.739 -4.854 168 HA3 GLY 23 HA1 GLY 23 9.832 -3.103 -6.162 169 H PHE 24 HN PHE 24 7.650 -1.668 -4.857 170 HA PHE 24 HA PHE 24 6.153 -0.951 -7.276 171 HB2 PHE 24 HB2 PHE 24 3.961 -1.342 -6.333 172 HB3 PHE 24 HB1 PHE 24 4.877 -2.844 -6.251 173 HD1 PHE 24 HD1 PHE 24 5.719 -3.703 -4.120 174 HD2 PHE 24 HD2 PHE 24 3.456 -0.054 -4.300 175 HE1 PHE 24 HE1 PHE 24 5.391 -3.781 -1.666 176 HE2 PHE 24 HE2 PHE 24 3.123 -0.148 -1.845 177 HZ PHE 24 HZ PHE 24 4.090 -2.008 -0.532 178 H PHE 25 HN PHE 25 4.572 0.857 -6.691 179 HA PHE 25 HA PHE 25 5.826 2.666 -4.653 180 HB2 PHE 25 HB2 PHE 25 4.972 4.520 -6.108 181 HB3 PHE 25 HB1 PHE 25 6.163 3.504 -6.921 182 HD1 PHE 25 HD1 PHE 25 2.509 4.154 -6.565 183 HD2 PHE 25 HD2 PHE 25 5.591 2.214 -8.846 184 HE1 PHE 25 HE1 PHE 25 0.854 3.618 -8.341 185 HE2 PHE 25 HE2 PHE 25 3.942 1.684 -10.621 186 HZ PHE 25 HZ PHE 25 1.578 2.384 -10.368 187 H TYR 26 HN TYR 26 4.458 3.617 -3.163 188 HA TYR 26 HA TYR 26 1.732 2.562 -3.007 189 HB2 TYR 26 HB2 TYR 26 3.352 3.150 -1.021 190 HB3 TYR 26 HB1 TYR 26 2.767 4.798 -1.254 191 HD1 TYR 26 HD1 TYR 26 1.450 1.288 -0.995 192 HD2 TYR 26 HD2 TYR 26 0.809 5.446 -0.116 193 HE1 TYR 26 HE1 TYR 26 -0.628 0.726 0.236 194 HE2 TYR 26 HE2 TYR 26 -1.259 4.870 1.119 195 HH TYR 26 HH TYR 26 -2.060 1.635 1.946 196 H THR 27 HN THR 27 -0.075 4.294 -2.579 197 HA THR 27 HA THR 27 -0.292 5.849 -4.964 198 HB THR 27 HB THR 27 -2.247 5.012 -3.731 199 HG1 THR 27 HG1 THR 27 -3.433 6.844 -4.053 200 HG21 THR 27 HG21 THR 27 -2.976 6.156 -1.675 201 HG22 THR 27 HG22 THR 27 -1.504 7.123 -1.683 202 HG23 THR 27 HG23 THR 27 -1.416 5.383 -1.448 203 H ASP 28 HN ASP 28 -0.912 8.305 -4.755 204 HA ASP 28 HA ASP 28 1.363 9.768 -4.337 205 HB2 ASP 28 HB2 ASP 28 -1.318 10.340 -4.976 206 HB3 ASP 28 HB1 ASP 28 -0.959 11.404 -3.621 207 HA PRO 29 HA PRO 29 1.810 10.101 0.115 208 HB2 PRO 29 HB2 PRO 29 3.378 12.374 0.256 209 HB3 PRO 29 HB1 PRO 29 3.999 10.791 -0.236 210 HG2 PRO 29 HG2 PRO 29 3.371 13.175 -1.924 211 HG3 PRO 29 HG1 PRO 29 4.567 11.899 -2.190 212 HD2 PRO 29 HD2 PRO 29 2.064 12.074 -3.479 213 HD3 PRO 29 HD1 PRO 29 3.100 10.631 -3.398 214 H THR 30 HN THR 30 0.131 12.392 -1.756 215 HA THR 30 HA THR 30 -0.252 14.585 -0.059 216 HB THR 30 HB THR 30 -2.303 15.005 -1.275 217 HG1 THR 30 HG1 THR 30 -3.173 13.347 -2.575 218 HG21 THR 30 HG21 THR 30 -0.290 13.578 -3.039 219 HG22 THR 30 HG22 THR 30 -0.161 15.251 -2.496 220 HG23 THR 30 HG23 THR 30 -1.471 14.773 -3.575 221 H GLY 31 HN GLY 31 -1.995 11.477 0.026 222 HA2 GLY 31 HA2 GLY 31 -3.221 10.529 1.799 223 HA3 GLY 31 HA1 GLY 31 -2.497 11.743 2.847 224 H GLY 32 HN GLY 32 -3.683 13.781 0.757 225 HA2 GLY 32 HA2 GLY 32 -6.298 14.016 2.165 226 HA3 GLY 32 HA1 GLY 32 -5.499 15.303 1.258 227 H GLY 33 HN GLY 33 -4.937 13.088 -0.816 228 HA2 GLY 33 HA2 GLY 33 -7.433 12.233 -1.911 229 HA3 GLY 33 HA1 GLY 33 -6.940 13.739 -2.693 230 HA PRO 34 HA PRO 34 -3.240 10.859 -3.623 231 HB2 PRO 34 HB2 PRO 34 -3.350 8.299 -2.522 232 HB3 PRO 34 HB1 PRO 34 -2.495 9.659 -1.793 233 HG2 PRO 34 HG2 PRO 34 -5.116 8.448 -1.046 234 HG3 PRO 34 HG1 PRO 34 -3.933 9.277 -0.019 235 HD2 PRO 34 HD2 PRO 34 -6.315 10.425 -0.926 236 HD3 PRO 34 HD1 PRO 34 -4.887 11.334 -0.386 237 H ARG 35 HN ARG 35 -3.037 8.507 -4.776 238 HA ARG 35 HA ARG 35 -4.985 8.392 -6.834 239 HB2 ARG 35 HB2 ARG 35 -2.577 7.336 -6.641 240 HB3 ARG 35 HB1 ARG 35 -3.429 5.948 -5.975 241 HG2 ARG 35 HG2 ARG 35 -4.847 5.847 -7.988 242 HG3 ARG 35 HG1 ARG 35 -3.983 7.224 -8.669 243 HD2 ARG 35 HD2 ARG 35 -1.890 5.544 -8.032 244 HD3 ARG 35 HD1 ARG 35 -3.134 4.381 -8.477 245 HE ARG 35 HE ARG 35 -1.604 5.844 -10.316 246 HH11 ARG 35 HH21 ARG 35 -4.957 5.388 -9.613 247 HH12 ARG 35 HH22 ARG 35 -5.478 5.866 -11.190 248 HH21 ARG 35 HH11 ARG 35 -2.277 6.449 -12.368 249 HH22 ARG 35 HH12 ARG 35 -3.966 6.457 -12.748 250 H ARG 36 HN ARG 36 -7.046 8.407 -5.681 251 HA ARG 36 HA ARG 36 -7.800 6.474 -3.728 252 HB2 ARG 36 HB2 ARG 36 -9.695 7.620 -5.794 253 HB3 ARG 36 HB1 ARG 36 -10.054 7.146 -4.135 254 HG2 ARG 36 HG2 ARG 36 -8.571 8.956 -3.314 255 HG3 ARG 36 HG1 ARG 36 -8.288 9.456 -4.977 256 HD2 ARG 36 HD2 ARG 36 -10.906 9.479 -3.471 257 HD3 ARG 36 HD1 ARG 36 -10.032 10.875 -4.089 258 HE ARG 36 HE ARG 36 -11.953 9.276 -5.515 259 HH11 ARG 36 HH21 ARG 36 -8.876 10.785 -5.956 260 HH12 ARG 36 HH22 ARG 36 -8.958 10.718 -7.684 261 HH21 ARG 36 HH11 ARG 36 -12.070 9.206 -7.752 262 HH22 ARG 36 HH12 ARG 36 -10.761 9.832 -8.697 263 H GLY 37 HN GLY 37 -6.920 6.077 -6.907 264 HA2 GLY 37 HA2 GLY 37 -8.728 4.011 -7.753 265 HA3 GLY 37 HA1 GLY 37 -7.133 4.312 -8.437 266 H ILE 38 HN ILE 38 -5.896 3.979 -5.660 267 HA ILE 38 HA ILE 38 -5.899 1.001 -5.730 268 HB ILE 38 HB ILE 38 -3.785 2.729 -5.848 269 HG12 ILE 38 HG12 ILE 38 -3.379 0.511 -6.453 270 HG13 ILE 38 HG11 ILE 38 -2.372 0.699 -5.037 271 HG21 ILE 38 HG21 ILE 38 -3.895 1.860 -2.943 272 HG22 ILE 38 HG22 ILE 38 -4.010 3.510 -3.546 273 HG23 ILE 38 HG23 ILE 38 -2.519 2.606 -3.746 274 HD11 ILE 38 HD11 ILE 38 -4.801 -0.974 -5.433 275 HD12 ILE 38 HD12 ILE 38 -4.651 -0.195 -3.859 276 HD13 ILE 38 HD13 ILE 38 -3.383 -1.259 -4.435 277 H VAL 39 HN VAL 39 -5.734 3.579 -3.232 278 HA VAL 39 HA VAL 39 -6.224 1.818 -1.065 279 HB VAL 39 HB VAL 39 -7.092 4.708 -1.079 280 HG11 VAL 39 HG11 VAL 39 -7.556 3.287 0.914 281 HG12 VAL 39 HG12 VAL 39 -6.415 4.584 1.268 282 HG13 VAL 39 HG13 VAL 39 -5.832 2.936 1.037 283 HG21 VAL 39 HG21 VAL 39 -4.942 4.944 -1.992 284 HG22 VAL 39 HG22 VAL 39 -4.315 3.521 -1.158 285 HG23 VAL 39 HG23 VAL 39 -4.604 5.015 -0.265 286 H GLU 40 HN GLU 40 -8.628 4.153 -2.385 287 HA GLU 40 HA GLU 40 -10.821 3.057 -0.986 288 HB2 GLU 40 HB2 GLU 40 -10.783 4.399 -3.700 289 HB3 GLU 40 HB1 GLU 40 -12.239 4.090 -2.758 290 HG2 GLU 40 HG2 GLU 40 -11.099 5.378 -0.855 291 HG3 GLU 40 HG1 GLU 40 -9.927 5.909 -2.063 292 H GLN 41 HN GLN 41 -9.697 2.253 -4.286 293 HA GLN 41 HA GLN 41 -11.643 0.428 -5.044 294 HB2 GLN 41 HB2 GLN 41 -9.564 1.105 -6.338 295 HB3 GLN 41 HB1 GLN 41 -8.687 -0.126 -5.426 296 HG2 GLN 41 HG2 GLN 41 -10.283 -1.838 -6.231 297 HG3 GLN 41 HG1 GLN 41 -11.133 -0.605 -7.158 298 HE21 GLN 41 HE21 GLN 41 -10.621 -1.020 -9.289 299 HE22 GLN 41 HE22 GLN 41 -9.048 -1.231 -9.873 300 H CYS 42 HN CYS 42 -8.670 -0.489 -3.260 301 HA CYS 42 HA CYS 42 -9.844 -3.104 -2.630 302 HB2 CYS 42 HB2 CYS 42 -7.238 -1.870 -1.707 303 HB3 CYS 42 HB1 CYS 42 -7.700 -3.567 -1.582 304 H CYS 43 HN CYS 43 -9.402 -0.032 -0.972 305 HA CYS 43 HA CYS 43 -9.996 -1.214 1.654 306 HB2 CYS 43 HB2 CYS 43 -8.498 0.789 1.412 307 HB3 CYS 43 HB1 CYS 43 -9.902 1.717 0.877 308 H HIS 44 HN HIS 44 -11.643 1.076 -0.549 309 HA HIS 44 HA HIS 44 -14.105 1.028 0.962 310 HB2 HIS 44 HB2 HIS 44 -13.345 2.808 -0.730 311 HB3 HIS 44 HB1 HIS 44 -13.858 1.679 -1.983 312 HD2 HIS 44 HD2 HIS 44 -16.708 1.156 -2.011 313 HE1 HIS 44 HE1 HIS 44 -17.675 4.384 0.537 314 HE2 HIS 44 HE2 HIS 44 -18.619 2.631 -1.044 315 H SER 45 HN SER 45 -12.731 -0.954 -1.578 316 HA SER 45 HA SER 45 -15.104 -2.769 -1.371 317 HB2 SER 45 HB2 SER 45 -13.735 -2.229 -4.008 318 HB3 SER 45 HB1 SER 45 -15.271 -3.039 -3.720 319 HG SER 45 HG SER 45 -16.199 -1.117 -3.247 320 H ILE 46 HN ILE 46 -14.574 -4.997 -2.047 321 HA ILE 46 HA ILE 46 -11.883 -5.737 -1.155 322 HB ILE 46 HB ILE 46 -13.959 -7.633 -2.272 323 HG12 ILE 46 HG12 ILE 46 -15.003 -6.051 -0.539 324 HG13 ILE 46 HG11 ILE 46 -15.097 -7.765 -0.183 325 HG21 ILE 46 HG21 ILE 46 -12.956 -9.121 -0.529 326 HG22 ILE 46 HG22 ILE 46 -11.774 -7.858 -0.187 327 HG23 ILE 46 HG23 ILE 46 -11.820 -8.618 -1.776 328 HD11 ILE 46 HD11 ILE 46 -14.201 -5.892 1.587 329 HD12 ILE 46 HD12 ILE 46 -12.677 -6.429 0.887 330 HD13 ILE 46 HD13 ILE 46 -13.757 -7.595 1.645 331 H CYS 47 HN CYS 47 -10.375 -5.235 -2.766 332 HA CYS 47 HA CYS 47 -10.958 -6.011 -5.570 333 HB2 CYS 47 HB2 CYS 47 -9.077 -4.720 -6.182 334 HB3 CYS 47 HB1 CYS 47 -9.787 -3.818 -4.848 335 H SER 48 HN SER 48 -9.597 -7.493 -6.729 336 HA SER 48 HA SER 48 -8.509 -9.638 -5.018 337 HB2 SER 48 HB2 SER 48 -8.281 -9.807 -7.993 338 HB3 SER 48 HB1 SER 48 -8.797 -11.029 -6.836 339 HG SER 48 HG SER 48 -10.488 -10.146 -8.197 340 H LEU 49 HN LEU 49 -6.335 -10.581 -5.711 341 HA LEU 49 HA LEU 49 -4.273 -8.664 -5.426 342 HB2 LEU 49 HB2 LEU 49 -3.974 -11.356 -6.780 343 HB3 LEU 49 HB1 LEU 49 -2.731 -10.453 -5.920 344 HG LEU 49 HG LEU 49 -5.142 -11.869 -4.766 345 HD11 LEU 49 HD11 LEU 49 -3.034 -13.155 -5.069 346 HD12 LEU 49 HD12 LEU 49 -3.431 -12.946 -3.363 347 HD13 LEU 49 HD13 LEU 49 -2.180 -11.950 -4.105 348 HD21 LEU 49 HD21 LEU 49 -4.260 -10.908 -2.554 349 HD22 LEU 49 HD22 LEU 49 -5.167 -9.796 -3.578 350 HD23 LEU 49 HD23 LEU 49 -3.406 -9.727 -3.543 351 H TYR 50 HN TYR 50 -5.803 -10.047 -8.244 352 HA TYR 50 HA TYR 50 -4.180 -9.389 -10.349 353 HB2 TYR 50 HB2 TYR 50 -6.618 -10.340 -10.194 354 HB3 TYR 50 HB1 TYR 50 -7.107 -8.659 -10.414 355 HD1 TYR 50 HD2 TYR 50 -5.219 -11.448 -11.827 356 HD2 TYR 50 HD1 TYR 50 -6.863 -7.570 -12.513 357 HE1 TYR 50 HE2 TYR 50 -4.784 -11.713 -14.268 358 HE2 TYR 50 HE1 TYR 50 -6.441 -7.802 -14.954 359 HH TYR 50 HH TYR 50 -5.137 -9.041 -16.481 360 H GLN 51 HN GLN 51 -6.615 -7.226 -8.951 361 HA GLN 51 HA GLN 51 -5.834 -4.909 -10.424 362 HB2 GLN 51 HB2 GLN 51 -6.957 -4.795 -7.618 363 HB3 GLN 51 HB1 GLN 51 -7.223 -3.686 -8.961 364 HG2 GLN 51 HG2 GLN 51 -8.293 -5.651 -10.206 365 HG3 GLN 51 HG1 GLN 51 -8.295 -6.491 -8.658 366 HE21 GLN 51 HE21 GLN 51 -9.103 -3.161 -9.755 367 HE22 GLN 51 HE22 GLN 51 -10.585 -3.090 -8.935 368 H LEU 52 HN LEU 52 -4.823 -6.118 -7.240 369 HA LEU 52 HA LEU 52 -3.114 -3.924 -6.635 370 HB2 LEU 52 HB2 LEU 52 -2.910 -6.822 -5.815 371 HB3 LEU 52 HB1 LEU 52 -1.980 -5.513 -5.095 372 HG LEU 52 HG LEU 52 -5.007 -5.732 -5.108 373 HD11 LEU 52 HD11 LEU 52 -4.770 -6.119 -2.738 374 HD12 LEU 52 HD12 LEU 52 -3.025 -5.881 -2.828 375 HD13 LEU 52 HD13 LEU 52 -3.770 -7.283 -3.605 376 HD21 LEU 52 HD21 LEU 52 -4.727 -3.431 -5.009 377 HD22 LEU 52 HD22 LEU 52 -3.104 -3.556 -4.349 378 HD23 LEU 52 HD23 LEU 52 -4.500 -3.797 -3.299 379 H GLU 53 HN GLU 53 -2.745 -6.784 -8.575 380 HA GLU 53 HA GLU 53 0.094 -6.539 -8.970 381 HB2 GLU 53 HB2 GLU 53 -1.914 -8.403 -9.619 382 HB3 GLU 53 HB1 GLU 53 -1.374 -7.817 -11.190 383 HG2 GLU 53 HG2 GLU 53 1.046 -8.248 -10.135 384 HG3 GLU 53 HG1 GLU 53 0.147 -9.349 -9.093 385 H ASN 54 HN ASN 54 -2.512 -4.708 -9.930 386 HA ASN 54 HA ASN 54 -1.585 -3.886 -12.555 387 HB2 ASN 54 HB2 ASN 54 -3.986 -3.783 -11.499 388 HB3 ASN 54 HB1 ASN 54 -3.440 -2.255 -10.811 389 HD21 ASN 54 HD21 ASN 54 -5.533 -2.493 -12.818 390 HD22 ASN 54 HD22 ASN 54 -4.989 -1.703 -14.216 391 H TYR 55 HN TYR 55 -1.036 -2.852 -9.256 392 HA TYR 55 HA TYR 55 0.434 -0.429 -10.207 393 HB2 TYR 55 HB2 TYR 55 -0.126 -1.185 -7.338 394 HB3 TYR 55 HB1 TYR 55 0.223 0.407 -8.002 395 HD1 TYR 55 HD2 TYR 55 -2.275 -2.269 -7.797 396 HD2 TYR 55 HD1 TYR 55 -1.483 1.737 -9.037 397 HE1 TYR 55 HE2 TYR 55 -4.721 -1.910 -8.139 398 HE2 TYR 55 HE1 TYR 55 -3.911 2.116 -9.393 399 HH TYR 55 HH TYR 55 -5.924 1.049 -9.626 400 H CYS 56 HN CYS 56 1.172 -3.581 -9.812 401 HA CYS 56 HA CYS 56 3.563 -3.305 -8.139 402 HB2 CYS 56 HB2 CYS 56 2.520 -5.528 -9.910 403 HB3 CYS 56 HB1 CYS 56 4.045 -5.634 -9.042 404 H ASN 57 HN ASN 57 5.101 -1.957 -9.011 405 HA ASN 57 HA ASN 57 6.636 -1.090 -10.564 406 HB2 ASN 57 HB2 ASN 57 7.618 -3.316 -10.252 407 HB3 ASN 57 HB1 ASN 57 6.540 -3.980 -11.477 408 HD21 ASN 57 HD21 ASN 57 9.012 -1.394 -11.110 409 HD22 ASN 57 HD22 ASN 57 9.618 -1.538 -12.689 Start of MODEL 10 1 H1 PHE 1 HT1 PHE 1 -4.744 -13.305 2.981 2 H2 PHE 1 HT2 PHE 1 -6.321 -12.694 3.147 3 H3 PHE 1 HT3 PHE 1 -5.018 -11.907 3.901 4 HA PHE 1 HA PHE 1 -5.392 -10.584 2.076 5 HB2 PHE 1 HB2 PHE 1 -3.042 -11.572 2.314 6 HB3 PHE 1 HB1 PHE 1 -3.447 -12.634 0.977 7 HD1 PHE 1 HD2 PHE 1 -5.206 -9.816 0.037 8 HD2 PHE 1 HD1 PHE 1 -1.164 -11.097 0.652 9 HE1 PHE 1 HE2 PHE 1 -4.425 -8.108 -1.505 10 HE2 PHE 1 HE1 PHE 1 -0.380 -9.360 -0.900 11 HZ PHE 1 HZ PHE 1 -2.003 -7.857 -1.984 12 H VAL 2 HN VAL 2 -7.385 -12.746 2.007 13 HA VAL 2 HA VAL 2 -7.491 -13.496 -0.874 14 HB VAL 2 HB VAL 2 -9.575 -14.805 0.118 15 HG11 VAL 2 HG11 VAL 2 -7.997 -16.631 0.855 16 HG12 VAL 2 HG12 VAL 2 -6.673 -15.485 0.649 17 HG13 VAL 2 HG13 VAL 2 -7.647 -15.967 -0.741 18 HG21 VAL 2 HG21 VAL 2 -9.547 -15.192 2.444 19 HG22 VAL 2 HG22 VAL 2 -9.203 -13.467 2.339 20 HG23 VAL 2 HG23 VAL 2 -7.892 -14.609 2.619 21 H ASN 3 HN ASN 3 -10.351 -13.116 1.083 22 HA ASN 3 HA ASN 3 -11.340 -11.026 -0.802 23 HB2 ASN 3 HB2 ASN 3 -12.979 -12.706 1.109 24 HB3 ASN 3 HB1 ASN 3 -13.562 -11.751 -0.252 25 HD21 ASN 3 HD21 ASN 3 -13.853 -12.893 -2.157 26 HD22 ASN 3 HD22 ASN 3 -13.120 -14.379 -2.530 27 H GLN 4 HN GLN 4 -9.615 -10.549 1.581 28 HA GLN 4 HA GLN 4 -11.463 -9.115 3.408 29 HB2 GLN 4 HB2 GLN 4 -9.035 -8.617 4.466 30 HB3 GLN 4 HB1 GLN 4 -9.897 -10.122 4.761 31 HG2 GLN 4 HG2 GLN 4 -8.668 -11.224 2.949 32 HG3 GLN 4 HG1 GLN 4 -7.840 -9.712 2.571 33 HE21 GLN 4 HE21 GLN 4 -7.532 -12.580 4.308 34 HE22 GLN 4 HE22 GLN 4 -6.335 -12.092 5.405 35 H HIS 5 HN HIS 5 -11.000 -6.869 3.952 36 HA HIS 5 HA HIS 5 -10.384 -5.300 1.534 37 HB2 HIS 5 HB2 HIS 5 -11.214 -3.402 2.962 38 HB3 HIS 5 HB1 HIS 5 -12.385 -4.699 2.739 39 HD2 HIS 5 HD2 HIS 5 -12.909 -3.143 5.474 40 HE1 HIS 5 HE1 HIS 5 -10.645 -6.138 7.410 41 HE2 HIS 5 HE2 HIS 5 -12.316 -4.253 7.749 42 H LEU 6 HN LEU 6 -8.552 -4.152 1.252 43 HA LEU 6 HA LEU 6 -6.519 -4.104 3.429 44 HB2 LEU 6 HB2 LEU 6 -6.470 -3.892 0.439 45 HB3 LEU 6 HB1 LEU 6 -5.220 -3.054 1.323 46 HG LEU 6 HG LEU 6 -4.236 -5.013 2.103 47 HD11 LEU 6 HD11 LEU 6 -5.583 -7.272 1.846 48 HD12 LEU 6 HD12 LEU 6 -6.974 -6.198 1.920 49 HD13 LEU 6 HD13 LEU 6 -5.820 -6.240 3.250 50 HD21 LEU 6 HD21 LEU 6 -5.557 -5.736 -0.527 51 HD22 LEU 6 HD22 LEU 6 -4.257 -6.634 0.209 52 HD23 LEU 6 HD23 LEU 6 -3.976 -4.984 -0.306 53 H CYS 7 HN CYS 7 -6.041 -2.200 4.451 54 HA CYS 7 HA CYS 7 -6.702 0.366 3.145 55 HB2 CYS 7 HB2 CYS 7 -8.619 -0.705 4.735 56 HB3 CYS 7 HB1 CYS 7 -7.680 0.143 5.961 57 H GLY 8 HN GLY 8 -5.016 1.696 3.487 58 HA2 GLY 8 HA2 GLY 8 -3.200 2.736 4.575 59 HA3 GLY 8 HA1 GLY 8 -3.733 1.970 6.071 60 H SER 9 HN SER 9 -1.648 1.298 6.695 61 HA SER 9 HA SER 9 0.376 0.115 5.219 62 HB2 SER 9 HB2 SER 9 -0.569 -0.767 7.963 63 HB3 SER 9 HB1 SER 9 1.016 -1.098 7.271 64 HG SER 9 HG SER 9 0.079 1.543 7.352 65 H ASP 10 HN ASP 10 -2.661 -1.399 6.233 66 HA ASP 10 HA ASP 10 -2.091 -4.102 5.788 67 HB2 ASP 10 HB2 ASP 10 -4.538 -2.410 5.360 68 HB3 ASP 10 HB1 ASP 10 -4.568 -4.088 4.831 69 H LEU 11 HN LEU 11 -3.103 -1.686 3.357 70 HA LEU 11 HA LEU 11 -2.963 -3.393 1.109 71 HB2 LEU 11 HB2 LEU 11 -3.962 -1.179 0.893 72 HB3 LEU 11 HB1 LEU 11 -2.446 -0.410 1.341 73 HG LEU 11 HG LEU 11 -1.388 -1.130 -0.705 74 HD11 LEU 11 HD11 LEU 11 -2.774 -2.395 -2.392 75 HD12 LEU 11 HD12 LEU 11 -3.902 -2.750 -1.091 76 HD13 LEU 11 HD13 LEU 11 -2.239 -3.333 -1.010 77 HD21 LEU 11 HD21 LEU 11 -2.880 0.859 -0.872 78 HD22 LEU 11 HD22 LEU 11 -4.197 -0.206 -1.367 79 HD23 LEU 11 HD23 LEU 11 -2.771 -0.034 -2.389 80 H VAL 12 HN VAL 12 -0.467 -1.095 2.259 81 HA VAL 12 HA VAL 12 1.605 -1.690 0.523 82 HB VAL 12 HB VAL 12 1.983 -1.410 3.517 83 HG11 VAL 12 HG11 VAL 12 3.947 -1.992 1.941 84 HG12 VAL 12 HG12 VAL 12 4.143 -0.589 2.987 85 HG13 VAL 12 HG13 VAL 12 3.736 -0.368 1.288 86 HG21 VAL 12 HG21 VAL 12 1.615 0.723 1.394 87 HG22 VAL 12 HG22 VAL 12 2.057 1.029 3.072 88 HG23 VAL 12 HG23 VAL 12 0.476 0.352 2.687 89 H GLU 13 HN GLU 13 1.364 -3.295 3.719 90 HA GLU 13 HA GLU 13 3.225 -5.325 3.289 91 HB2 GLU 13 HB2 GLU 13 0.564 -5.653 4.708 92 HB3 GLU 13 HB1 GLU 13 2.006 -6.641 4.950 93 HG2 GLU 13 HG2 GLU 13 3.242 -4.689 5.767 94 HG3 GLU 13 HG1 GLU 13 1.845 -3.656 5.464 95 H ALA 14 HN ALA 14 -0.038 -5.065 2.016 96 HA ALA 14 HA ALA 14 -0.074 -7.810 1.024 97 HB1 ALA 14 HB1 ALA 14 -2.278 -7.339 0.942 98 HB2 ALA 14 HB2 ALA 14 -1.987 -6.214 -0.389 99 HB3 ALA 14 HB3 ALA 14 -1.954 -5.642 1.273 100 H LEU 15 HN LEU 15 0.190 -4.596 -0.625 101 HA LEU 15 HA LEU 15 0.680 -5.596 -3.193 102 HB2 LEU 15 HB2 LEU 15 1.811 -3.170 -1.803 103 HB3 LEU 15 HB1 LEU 15 2.224 -3.552 -3.472 104 HG LEU 15 HG LEU 15 -0.683 -3.439 -2.677 105 HD11 LEU 15 HD11 LEU 15 0.543 -1.297 -1.926 106 HD12 LEU 15 HD12 LEU 15 -0.796 -1.080 -3.048 107 HD13 LEU 15 HD13 LEU 15 0.863 -1.015 -3.635 108 HD21 LEU 15 HD21 LEU 15 0.773 -2.678 -5.225 109 HD22 LEU 15 HD22 LEU 15 -0.969 -2.832 -5.014 110 HD23 LEU 15 HD23 LEU 15 0.057 -4.260 -4.938 111 H TYR 16 HN TYR 16 2.875 -5.319 -0.441 112 HA TYR 16 HA TYR 16 5.336 -5.811 -1.641 113 HB2 TYR 16 HB2 TYR 16 5.134 -5.378 0.735 114 HB3 TYR 16 HB1 TYR 16 4.294 -6.907 0.976 115 HD1 TYR 16 HD2 TYR 16 7.447 -5.660 -0.654 116 HD2 TYR 16 HD1 TYR 16 5.588 -8.678 1.760 117 HE1 TYR 16 HE2 TYR 16 9.631 -6.806 -0.408 118 HE2 TYR 16 HE1 TYR 16 7.771 -9.830 2.011 119 HH TYR 16 HH TYR 16 10.723 -8.503 0.504 120 H LEU 17 HN LEU 17 2.991 -8.360 -0.618 121 HA LEU 17 HA LEU 17 4.625 -10.495 -1.693 122 HB2 LEU 17 HB2 LEU 17 1.613 -10.473 -1.326 123 HB3 LEU 17 HB1 LEU 17 2.621 -11.885 -1.548 124 HG LEU 17 HG LEU 17 3.852 -11.235 0.568 125 HD11 LEU 17 HD11 LEU 17 2.148 -9.800 2.062 126 HD12 LEU 17 HD12 LEU 17 1.739 -9.112 0.495 127 HD13 LEU 17 HD13 LEU 17 3.391 -9.036 1.084 128 HD21 LEU 17 HD21 LEU 17 1.807 -11.946 2.028 129 HD22 LEU 17 HD22 LEU 17 2.354 -13.052 0.769 130 HD23 LEU 17 HD23 LEU 17 0.939 -12.041 0.496 131 H VAL 18 HN VAL 18 1.726 -8.823 -2.887 132 HA VAL 18 HA VAL 18 1.416 -10.083 -5.359 133 HB VAL 18 HB VAL 18 1.097 -7.130 -4.790 134 HG11 VAL 18 HG11 VAL 18 -0.131 -8.937 -6.863 135 HG12 VAL 18 HG12 VAL 18 0.996 -7.617 -7.137 136 HG13 VAL 18 HG13 VAL 18 -0.625 -7.274 -6.557 137 HG21 VAL 18 HG21 VAL 18 -1.211 -7.668 -4.231 138 HG22 VAL 18 HG22 VAL 18 -0.126 -8.591 -3.192 139 HG23 VAL 18 HG23 VAL 18 -0.913 -9.373 -4.560 140 H CYS 19 HN CYS 19 3.211 -7.043 -4.843 141 HA CYS 19 HA CYS 19 4.433 -7.192 -7.473 142 HB2 CYS 19 HB2 CYS 19 5.392 -5.468 -5.194 143 HB3 CYS 19 HB1 CYS 19 5.443 -5.134 -6.919 144 H GLY 20 HN GLY 20 5.252 -8.314 -4.299 145 HA2 GLY 20 HA2 GLY 20 7.154 -9.424 -3.480 146 HA3 GLY 20 HA1 GLY 20 7.273 -10.065 -5.115 147 H GLU 21 HN GLU 21 9.342 -9.795 -5.781 148 HA GLU 21 HA GLU 21 11.019 -7.629 -4.801 149 HB2 GLU 21 HB2 GLU 21 11.420 -9.710 -6.964 150 HB3 GLU 21 HB1 GLU 21 12.658 -8.550 -6.481 151 HG2 GLU 21 HG2 GLU 21 12.381 -9.400 -4.109 152 HG3 GLU 21 HG1 GLU 21 11.370 -10.687 -4.767 153 H ARG 22 HN ARG 22 8.781 -7.930 -7.379 154 HA ARG 22 HA ARG 22 9.940 -6.319 -9.382 155 HB2 ARG 22 HB2 ARG 22 7.032 -6.242 -8.525 156 HB3 ARG 22 HB1 ARG 22 7.675 -5.805 -10.107 157 HG2 ARG 22 HG2 ARG 22 8.396 -8.102 -10.499 158 HG3 ARG 22 HG1 ARG 22 7.880 -8.572 -8.880 159 HD2 ARG 22 HD2 ARG 22 6.014 -9.228 -10.106 160 HD3 ARG 22 HD1 ARG 22 5.541 -7.576 -9.712 161 HE ARG 22 HE ARG 22 6.914 -7.320 -12.106 162 HH11 ARG 22 HH21 ARG 22 4.297 -9.213 -10.902 163 HH12 ARG 22 HH22 ARG 22 3.495 -9.322 -12.433 164 HH21 ARG 22 HH11 ARG 22 5.884 -7.452 -14.115 165 HH22 ARG 22 HH12 ARG 22 4.393 -8.325 -14.253 166 H GLY 23 HN GLY 23 8.631 -5.453 -6.254 167 HA2 GLY 23 HA2 GLY 23 8.877 -3.419 -5.089 168 HA3 GLY 23 HA1 GLY 23 9.784 -2.785 -6.466 169 H PHE 24 HN PHE 24 7.643 -1.382 -5.043 170 HA PHE 24 HA PHE 24 6.003 -0.730 -7.385 171 HB2 PHE 24 HB2 PHE 24 3.876 -1.165 -6.335 172 HB3 PHE 24 HB1 PHE 24 4.835 -2.640 -6.264 173 HD1 PHE 24 HD1 PHE 24 5.794 -3.432 -4.153 174 HD2 PHE 24 HD2 PHE 24 3.419 0.144 -4.310 175 HE1 PHE 24 HE1 PHE 24 5.562 -3.478 -1.686 176 HE2 PHE 24 HE2 PHE 24 3.182 0.088 -1.840 177 HZ PHE 24 HZ PHE 24 4.254 -1.716 -0.534 178 H PHE 25 HN PHE 25 4.425 1.042 -6.759 179 HA PHE 25 HA PHE 25 5.700 2.904 -4.787 180 HB2 PHE 25 HB2 PHE 25 4.784 4.720 -6.258 181 HB3 PHE 25 HB1 PHE 25 5.984 3.716 -7.072 182 HD1 PHE 25 HD1 PHE 25 2.337 4.357 -6.709 183 HD2 PHE 25 HD2 PHE 25 5.399 2.323 -8.936 184 HE1 PHE 25 HE1 PHE 25 0.668 3.758 -8.451 185 HE2 PHE 25 HE2 PHE 25 3.736 1.730 -10.677 186 HZ PHE 25 HZ PHE 25 1.374 2.446 -10.436 187 H TYR 26 HN TYR 26 4.348 3.736 -3.227 188 HA TYR 26 HA TYR 26 1.658 2.653 -3.038 189 HB2 TYR 26 HB2 TYR 26 3.270 3.386 -1.092 190 HB3 TYR 26 HB1 TYR 26 2.618 4.998 -1.388 191 HD1 TYR 26 HD1 TYR 26 1.415 1.453 -1.011 192 HD2 TYR 26 HD2 TYR 26 0.672 5.615 -0.220 193 HE1 TYR 26 HE1 TYR 26 -0.636 0.863 0.253 194 HE2 TYR 26 HE2 TYR 26 -1.366 5.012 1.050 195 HH TYR 26 HH TYR 26 -2.944 3.212 1.236 196 H THR 27 HN THR 27 -0.215 4.359 -2.674 197 HA THR 27 HA THR 27 -0.488 5.776 -5.137 198 HB THR 27 HB THR 27 -2.438 5.024 -3.882 199 HG1 THR 27 HG1 THR 27 -2.223 7.838 -4.061 200 HG21 THR 27 HG21 THR 27 -1.606 7.106 -1.840 201 HG22 THR 27 HG22 THR 27 -1.555 5.360 -1.613 202 HG23 THR 27 HG23 THR 27 -3.102 6.173 -1.801 203 H ASP 28 HN ASP 28 -1.112 8.240 -5.062 204 HA ASP 28 HA ASP 28 1.124 9.757 -4.821 205 HB2 ASP 28 HB2 ASP 28 -1.648 10.276 -5.166 206 HB3 ASP 28 HB1 ASP 28 -1.086 11.437 -3.969 207 HA PRO 29 HA PRO 29 1.953 10.124 -0.426 208 HB2 PRO 29 HB2 PRO 29 3.575 12.369 -0.462 209 HB3 PRO 29 HB1 PRO 29 4.122 10.758 -0.948 210 HG2 PRO 29 HG2 PRO 29 3.428 13.106 -2.659 211 HG3 PRO 29 HG1 PRO 29 4.568 11.790 -2.974 212 HD2 PRO 29 HD2 PRO 29 1.986 11.996 -4.083 213 HD3 PRO 29 HD1 PRO 29 2.981 10.523 -4.023 214 H THR 30 HN THR 30 0.185 12.439 -2.195 215 HA THR 30 HA THR 30 -0.014 14.642 -0.472 216 HB THR 30 HB THR 30 -2.116 15.135 -1.548 217 HG1 THR 30 HG1 THR 30 -3.069 13.090 -1.288 218 HG21 THR 30 HG21 THR 30 -0.039 15.246 -2.921 219 HG22 THR 30 HG22 THR 30 -1.468 14.888 -3.889 220 HG23 THR 30 HG23 THR 30 -0.343 13.598 -3.468 221 H GLY 31 HN GLY 31 -1.810 11.574 -0.282 222 HA2 GLY 31 HA2 GLY 31 -2.923 10.629 1.562 223 HA3 GLY 31 HA1 GLY 31 -2.106 11.819 2.569 224 H GLY 32 HN GLY 32 -3.411 13.902 0.594 225 HA2 GLY 32 HA2 GLY 32 -5.908 14.158 2.199 226 HA3 GLY 32 HA1 GLY 32 -5.168 15.440 1.236 227 H GLY 33 HN GLY 33 -4.821 13.138 -0.833 228 HA2 GLY 33 HA2 GLY 33 -7.401 12.361 -1.754 229 HA3 GLY 33 HA1 GLY 33 -6.928 13.849 -2.582 230 HA PRO 34 HA PRO 34 -3.365 10.879 -3.710 231 HB2 PRO 34 HB2 PRO 34 -3.461 8.324 -2.611 232 HB3 PRO 34 HB1 PRO 34 -2.549 9.667 -1.920 233 HG2 PRO 34 HG2 PRO 34 -5.150 8.497 -1.051 234 HG3 PRO 34 HG1 PRO 34 -3.904 9.302 -0.078 235 HD2 PRO 34 HD2 PRO 34 -6.308 10.496 -0.869 236 HD3 PRO 34 HD1 PRO 34 -4.842 11.377 -0.389 237 H ARG 35 HN ARG 35 -3.263 8.522 -4.851 238 HA ARG 35 HA ARG 35 -5.334 8.448 -6.810 239 HB2 ARG 35 HB2 ARG 35 -2.912 7.439 -6.830 240 HB3 ARG 35 HB1 ARG 35 -3.669 6.025 -6.103 241 HG2 ARG 35 HG2 ARG 35 -5.282 5.951 -8.003 242 HG3 ARG 35 HG1 ARG 35 -4.419 7.296 -8.752 243 HD2 ARG 35 HD2 ARG 35 -2.329 5.920 -8.706 244 HD3 ARG 35 HD1 ARG 35 -3.277 4.559 -8.097 245 HE ARG 35 HE ARG 35 -4.615 5.308 -10.402 246 HH11 ARG 35 HH21 ARG 35 -1.369 4.529 -9.544 247 HH12 ARG 35 HH22 ARG 35 -0.976 3.867 -11.096 248 HH21 ARG 35 HH11 ARG 35 -4.122 4.449 -12.434 249 HH22 ARG 35 HH12 ARG 35 -2.535 3.822 -12.733 250 H ARG 36 HN ARG 36 -7.337 8.380 -5.567 251 HA ARG 36 HA ARG 36 -7.941 6.407 -3.624 252 HB2 ARG 36 HB2 ARG 36 -10.307 6.865 -4.138 253 HB3 ARG 36 HB1 ARG 36 -9.368 8.344 -3.954 254 HG2 ARG 36 HG2 ARG 36 -10.305 8.915 -5.948 255 HG3 ARG 36 HG1 ARG 36 -9.059 7.902 -6.646 256 HD2 ARG 36 HD2 ARG 36 -10.850 5.976 -6.225 257 HD3 ARG 36 HD1 ARG 36 -11.981 7.327 -6.273 258 HE ARG 36 HE ARG 36 -10.410 7.704 -8.521 259 HH11 ARG 36 HH21 ARG 36 -12.266 5.135 -7.162 260 HH12 ARG 36 HH22 ARG 36 -12.663 4.434 -8.696 261 HH21 ARG 36 HH11 ARG 36 -10.917 6.802 -10.531 262 HH22 ARG 36 HH12 ARG 36 -11.899 5.376 -10.602 263 H GLY 37 HN GLY 37 -7.106 5.967 -6.789 264 HA2 GLY 37 HA2 GLY 37 -8.945 3.896 -7.578 265 HA3 GLY 37 HA1 GLY 37 -7.380 4.217 -8.321 266 H ILE 38 HN ILE 38 -6.072 3.922 -5.560 267 HA ILE 38 HA ILE 38 -5.999 0.944 -5.636 268 HB ILE 38 HB ILE 38 -3.929 2.712 -5.789 269 HG12 ILE 38 HG12 ILE 38 -3.472 0.496 -6.366 270 HG13 ILE 38 HG11 ILE 38 -2.458 0.732 -4.962 271 HG21 ILE 38 HG21 ILE 38 -3.982 1.880 -2.874 272 HG22 ILE 38 HG22 ILE 38 -4.162 3.518 -3.493 273 HG23 ILE 38 HG23 ILE 38 -2.643 2.663 -3.702 274 HD11 ILE 38 HD11 ILE 38 -3.415 -1.258 -4.347 275 HD12 ILE 38 HD12 ILE 38 -4.868 -0.994 -5.299 276 HD13 ILE 38 HD13 ILE 38 -4.678 -0.206 -3.734 277 H VAL 39 HN VAL 39 -5.887 3.539 -3.157 278 HA VAL 39 HA VAL 39 -6.292 1.777 -0.971 279 HB VAL 39 HB VAL 39 -7.228 4.647 -1.003 280 HG11 VAL 39 HG11 VAL 39 -6.484 4.544 1.348 281 HG12 VAL 39 HG12 VAL 39 -5.974 2.872 1.114 282 HG13 VAL 39 HG13 VAL 39 -7.683 3.295 1.011 283 HG21 VAL 39 HG21 VAL 39 -5.084 4.931 -1.912 284 HG22 VAL 39 HG22 VAL 39 -4.429 3.516 -1.088 285 HG23 VAL 39 HG23 VAL 39 -4.739 4.999 -0.186 286 H GLU 40 HN GLU 40 -8.773 4.048 -2.257 287 HA GLU 40 HA GLU 40 -10.916 2.896 -0.824 288 HB2 GLU 40 HB2 GLU 40 -10.937 4.279 -3.514 289 HB3 GLU 40 HB1 GLU 40 -12.383 3.906 -2.580 290 HG2 GLU 40 HG2 GLU 40 -11.364 5.200 -0.659 291 HG3 GLU 40 HG1 GLU 40 -10.102 5.727 -1.774 292 H GLN 41 HN GLN 41 -9.760 2.094 -4.107 293 HA GLN 41 HA GLN 41 -11.715 0.257 -4.863 294 HB2 GLN 41 HB2 GLN 41 -9.678 0.957 -6.196 295 HB3 GLN 41 HB1 GLN 41 -8.749 -0.229 -5.278 296 HG2 GLN 41 HG2 GLN 41 -9.450 -1.348 -7.272 297 HG3 GLN 41 HG1 GLN 41 -10.512 -1.940 -5.998 298 HE21 GLN 41 HE21 GLN 41 -12.379 -2.331 -7.231 299 HE22 GLN 41 HE22 GLN 41 -13.214 -1.114 -8.056 300 H CYS 42 HN CYS 42 -8.711 -0.590 -3.104 301 HA CYS 42 HA CYS 42 -9.828 -3.226 -2.464 302 HB2 CYS 42 HB2 CYS 42 -7.236 -1.965 -1.541 303 HB3 CYS 42 HB1 CYS 42 -7.671 -3.672 -1.473 304 H CYS 43 HN CYS 43 -9.462 -0.136 -0.810 305 HA CYS 43 HA CYS 43 -10.002 -1.336 1.825 306 HB2 CYS 43 HB2 CYS 43 -8.583 0.692 1.695 307 HB3 CYS 43 HB1 CYS 43 -9.940 1.586 1.002 308 H HIS 44 HN HIS 44 -11.734 0.905 -0.364 309 HA HIS 44 HA HIS 44 -14.176 0.766 1.172 310 HB2 HIS 44 HB2 HIS 44 -13.321 2.494 -0.685 311 HB3 HIS 44 HB1 HIS 44 -14.213 1.430 -1.766 312 HD2 HIS 44 HD2 HIS 44 -16.772 0.878 0.400 313 HE1 HIS 44 HE1 HIS 44 -17.269 5.059 0.106 314 HE2 HIS 44 HE2 HIS 44 -18.378 2.879 0.796 315 H SER 45 HN SER 45 -12.773 -1.136 -1.415 316 HA SER 45 HA SER 45 -15.078 -3.033 -1.185 317 HB2 SER 45 HB2 SER 45 -14.585 -3.379 -3.781 318 HB3 SER 45 HB1 SER 45 -15.683 -2.119 -3.232 319 HG SER 45 HG SER 45 -14.180 -0.619 -3.614 320 H ILE 46 HN ILE 46 -14.499 -5.214 -1.954 321 HA ILE 46 HA ILE 46 -11.801 -5.935 -1.056 322 HB ILE 46 HB ILE 46 -13.902 -7.781 -2.203 323 HG12 ILE 46 HG12 ILE 46 -15.044 -6.412 -0.545 324 HG13 ILE 46 HG11 ILE 46 -14.750 -8.011 0.135 325 HG21 ILE 46 HG21 ILE 46 -12.903 -9.386 -0.675 326 HG22 ILE 46 HG22 ILE 46 -11.804 -8.158 -0.048 327 HG23 ILE 46 HG23 ILE 46 -11.655 -8.709 -1.718 328 HD11 ILE 46 HD11 ILE 46 -13.247 -5.451 0.703 329 HD12 ILE 46 HD12 ILE 46 -12.612 -7.032 1.155 330 HD13 ILE 46 HD13 ILE 46 -14.131 -6.464 1.841 331 H CYS 47 HN CYS 47 -10.300 -5.366 -2.660 332 HA CYS 47 HA CYS 47 -10.851 -6.134 -5.474 333 HB2 CYS 47 HB2 CYS 47 -9.039 -4.752 -6.074 334 HB3 CYS 47 HB1 CYS 47 -9.755 -3.904 -4.707 335 H SER 48 HN SER 48 -9.586 -7.672 -6.591 336 HA SER 48 HA SER 48 -8.389 -9.736 -4.885 337 HB2 SER 48 HB2 SER 48 -8.163 -9.884 -7.867 338 HB3 SER 48 HB1 SER 48 -8.581 -11.144 -6.711 339 HG SER 48 HG SER 48 -10.438 -10.594 -7.783 340 H LEU 49 HN LEU 49 -6.195 -10.633 -5.570 341 HA LEU 49 HA LEU 49 -4.174 -8.673 -5.273 342 HB2 LEU 49 HB2 LEU 49 -3.823 -11.365 -6.617 343 HB3 LEU 49 HB1 LEU 49 -2.594 -10.435 -5.769 344 HG LEU 49 HG LEU 49 -4.977 -11.878 -4.589 345 HD11 LEU 49 HD11 LEU 49 -2.918 -13.192 -4.870 346 HD12 LEU 49 HD12 LEU 49 -3.202 -12.878 -3.158 347 HD13 LEU 49 HD13 LEU 49 -1.992 -11.943 -4.037 348 HD21 LEU 49 HD21 LEU 49 -5.012 -9.808 -3.404 349 HD22 LEU 49 HD22 LEU 49 -3.253 -9.710 -3.399 350 HD23 LEU 49 HD23 LEU 49 -4.072 -10.901 -2.390 351 H TYR 50 HN TYR 50 -5.666 -10.088 -8.091 352 HA TYR 50 HA TYR 50 -4.051 -9.424 -10.195 353 HB2 TYR 50 HB2 TYR 50 -6.490 -10.384 -10.028 354 HB3 TYR 50 HB1 TYR 50 -6.980 -8.708 -10.277 355 HD1 TYR 50 HD2 TYR 50 -5.108 -11.528 -11.642 356 HD2 TYR 50 HD1 TYR 50 -6.705 -7.641 -12.388 357 HE1 TYR 50 HE2 TYR 50 -4.666 -11.831 -14.078 358 HE2 TYR 50 HE1 TYR 50 -6.274 -7.911 -14.825 359 HH TYR 50 HH TYR 50 -4.258 -10.205 -16.082 360 H GLN 51 HN GLN 51 -6.508 -7.269 -8.823 361 HA GLN 51 HA GLN 51 -5.734 -4.960 -10.312 362 HB2 GLN 51 HB2 GLN 51 -6.885 -4.845 -7.517 363 HB3 GLN 51 HB1 GLN 51 -7.124 -3.724 -8.854 364 HG2 GLN 51 HG2 GLN 51 -8.182 -5.683 -10.128 365 HG3 GLN 51 HG1 GLN 51 -8.226 -6.519 -8.579 366 HE21 GLN 51 HE21 GLN 51 -9.012 -3.209 -9.757 367 HE22 GLN 51 HE22 GLN 51 -10.499 -3.111 -8.947 368 H LEU 52 HN LEU 52 -4.716 -6.152 -7.127 369 HA LEU 52 HA LEU 52 -3.025 -3.937 -6.518 370 HB2 LEU 52 HB2 LEU 52 -2.817 -6.833 -5.693 371 HB3 LEU 52 HB1 LEU 52 -1.890 -5.524 -4.972 372 HG LEU 52 HG LEU 52 -4.914 -5.765 -4.981 373 HD11 LEU 52 HD11 LEU 52 -3.639 -7.282 -3.470 374 HD12 LEU 52 HD12 LEU 52 -4.670 -6.135 -2.616 375 HD13 LEU 52 HD13 LEU 52 -2.931 -5.860 -2.701 376 HD21 LEU 52 HD21 LEU 52 -4.443 -3.807 -3.196 377 HD22 LEU 52 HD22 LEU 52 -4.659 -3.457 -4.909 378 HD23 LEU 52 HD23 LEU 52 -3.039 -3.556 -4.234 379 H GLU 53 HN GLU 53 -2.705 -6.714 -8.538 380 HA GLU 53 HA GLU 53 0.158 -6.497 -8.919 381 HB2 GLU 53 HB2 GLU 53 -1.815 -8.401 -9.481 382 HB3 GLU 53 HB1 GLU 53 -1.379 -7.814 -11.082 383 HG2 GLU 53 HG2 GLU 53 0.670 -8.745 -9.049 384 HG3 GLU 53 HG1 GLU 53 -0.047 -9.808 -10.246 385 H ASN 54 HN ASN 54 -2.454 -4.679 -9.856 386 HA ASN 54 HA ASN 54 -1.544 -3.883 -12.503 387 HB2 ASN 54 HB2 ASN 54 -3.958 -3.840 -11.448 388 HB3 ASN 54 HB1 ASN 54 -3.460 -2.274 -10.809 389 HD21 ASN 54 HD21 ASN 54 -5.550 -2.531 -12.753 390 HD22 ASN 54 HD22 ASN 54 -5.028 -1.814 -14.196 391 H TYR 55 HN TYR 55 -1.030 -2.805 -9.213 392 HA TYR 55 HA TYR 55 0.293 -0.308 -10.173 393 HB2 TYR 55 HB2 TYR 55 -0.168 -1.149 -7.308 394 HB3 TYR 55 HB1 TYR 55 0.126 0.470 -7.932 395 HD1 TYR 55 HD2 TYR 55 -2.294 -2.262 -7.698 396 HD2 TYR 55 HD1 TYR 55 -1.623 1.751 -8.992 397 HE1 TYR 55 HE2 TYR 55 -4.754 -1.972 -8.013 398 HE2 TYR 55 HE1 TYR 55 -4.065 2.059 -9.325 399 HH TYR 55 HH TYR 55 -6.070 0.495 -9.788 400 H CYS 56 HN CYS 56 1.236 -3.422 -9.824 401 HA CYS 56 HA CYS 56 3.696 -2.955 -8.281 402 HB2 CYS 56 HB2 CYS 56 2.825 -5.323 -9.961 403 HB3 CYS 56 HB1 CYS 56 4.242 -5.280 -8.921 404 H ASN 57 HN ASN 57 5.263 -1.757 -9.232 405 HA ASN 57 HA ASN 57 6.623 -0.829 -10.914 406 HB2 ASN 57 HB2 ASN 57 7.550 -3.144 -10.563 407 HB3 ASN 57 HB1 ASN 57 6.570 -3.682 -11.925 408 HD21 ASN 57 HD21 ASN 57 9.252 -4.001 -12.323 409 HD22 ASN 57 HD22 ASN 57 9.872 -2.809 -13.360 Start of MODEL 11 1 H1 PHE 1 HT1 PHE 1 -5.057 -13.222 2.803 2 H2 PHE 1 HT2 PHE 1 -6.715 -12.857 2.719 3 H3 PHE 1 HT3 PHE 1 -5.665 -11.853 3.599 4 HA PHE 1 HA PHE 1 -5.770 -10.611 1.743 5 HB2 PHE 1 HB2 PHE 1 -3.447 -11.681 2.049 6 HB3 PHE 1 HB1 PHE 1 -3.849 -12.704 0.682 7 HD1 PHE 1 HD2 PHE 1 -5.505 -9.862 -0.291 8 HD2 PHE 1 HD1 PHE 1 -1.508 -11.188 0.495 9 HE1 PHE 1 HE2 PHE 1 -4.637 -8.139 -1.774 10 HE2 PHE 1 HE1 PHE 1 -0.638 -9.444 -0.999 11 HZ PHE 1 HZ PHE 1 -2.192 -7.912 -2.139 12 H VAL 2 HN VAL 2 -7.789 -12.773 1.662 13 HA VAL 2 HA VAL 2 -7.850 -13.526 -1.220 14 HB VAL 2 HB VAL 2 -9.928 -14.857 -0.262 15 HG11 VAL 2 HG11 VAL 2 -7.898 -15.940 -1.074 16 HG12 VAL 2 HG12 VAL 2 -8.390 -16.682 0.448 17 HG13 VAL 2 HG13 VAL 2 -7.054 -15.532 0.419 18 HG21 VAL 2 HG21 VAL 2 -9.954 -15.227 2.065 19 HG22 VAL 2 HG22 VAL 2 -9.617 -13.500 1.960 20 HG23 VAL 2 HG23 VAL 2 -8.307 -14.633 2.275 21 H ASN 3 HN ASN 3 -10.749 -13.177 0.686 22 HA ASN 3 HA ASN 3 -11.735 -11.115 -1.229 23 HB2 ASN 3 HB2 ASN 3 -13.372 -12.756 0.717 24 HB3 ASN 3 HB1 ASN 3 -13.953 -11.843 -0.673 25 HD21 ASN 3 HD21 ASN 3 -14.242 -13.050 -2.537 26 HD22 ASN 3 HD22 ASN 3 -13.492 -14.537 -2.866 27 H GLN 4 HN GLN 4 -10.026 -10.609 1.176 28 HA GLN 4 HA GLN 4 -11.889 -9.108 2.938 29 HB2 GLN 4 HB2 GLN 4 -9.504 -8.650 4.073 30 HB3 GLN 4 HB1 GLN 4 -10.372 -10.160 4.327 31 HG2 GLN 4 HG2 GLN 4 -9.084 -11.249 2.557 32 HG3 GLN 4 HG1 GLN 4 -8.258 -9.732 2.196 33 HE21 GLN 4 HE21 GLN 4 -8.015 -12.592 3.986 34 HE22 GLN 4 HE22 GLN 4 -6.827 -12.098 5.091 35 H HIS 5 HN HIS 5 -11.322 -6.862 3.483 36 HA HIS 5 HA HIS 5 -10.565 -5.363 1.041 37 HB2 HIS 5 HB2 HIS 5 -11.374 -3.408 2.619 38 HB3 HIS 5 HB1 HIS 5 -12.557 -4.493 1.896 39 HD2 HIS 5 HD2 HIS 5 -10.606 -4.371 5.383 40 HE1 HIS 5 HE1 HIS 5 -14.413 -6.110 5.960 41 HE2 HIS 5 HE2 HIS 5 -12.275 -5.361 7.114 42 H LEU 6 HN LEU 6 -8.758 -4.122 0.897 43 HA LEU 6 HA LEU 6 -6.822 -4.172 3.167 44 HB2 LEU 6 HB2 LEU 6 -6.629 -3.880 0.187 45 HB3 LEU 6 HB1 LEU 6 -5.403 -3.103 1.156 46 HG LEU 6 HG LEU 6 -4.491 -5.108 1.898 47 HD11 LEU 6 HD11 LEU 6 -6.148 -6.314 2.969 48 HD12 LEU 6 HD12 LEU 6 -5.877 -7.325 1.557 49 HD13 LEU 6 HD13 LEU 6 -7.248 -6.224 1.597 50 HD21 LEU 6 HD21 LEU 6 -5.752 -5.741 -0.784 51 HD22 LEU 6 HD22 LEU 6 -4.491 -6.683 -0.033 52 HD23 LEU 6 HD23 LEU 6 -4.162 -5.028 -0.503 53 H CYS 7 HN CYS 7 -6.389 -2.299 4.264 54 HA CYS 7 HA CYS 7 -6.949 0.303 2.974 55 HB2 CYS 7 HB2 CYS 7 -8.945 -0.770 4.456 56 HB3 CYS 7 HB1 CYS 7 -8.050 0.039 5.739 57 H GLY 8 HN GLY 8 -5.273 1.616 3.416 58 HA2 GLY 8 HA2 GLY 8 -3.494 2.616 4.596 59 HA3 GLY 8 HA1 GLY 8 -4.080 1.809 6.051 60 H SER 9 HN SER 9 -1.981 1.136 6.694 61 HA SER 9 HA SER 9 0.050 -0.041 5.219 62 HB2 SER 9 HB2 SER 9 -0.921 -0.932 7.951 63 HB3 SER 9 HB1 SER 9 0.660 -1.292 7.264 64 HG SER 9 HG SER 9 1.239 0.770 7.483 65 H ASP 10 HN ASP 10 -3.021 -1.540 6.142 66 HA ASP 10 HA ASP 10 -2.471 -4.248 5.709 67 HB2 ASP 10 HB2 ASP 10 -4.875 -2.524 5.171 68 HB3 ASP 10 HB1 ASP 10 -4.902 -4.201 4.642 69 H LEU 11 HN LEU 11 -3.351 -1.816 3.251 70 HA LEU 11 HA LEU 11 -3.150 -3.494 0.994 71 HB2 LEU 11 HB2 LEU 11 -4.082 -1.253 0.777 72 HB3 LEU 11 HB1 LEU 11 -2.564 -0.531 1.294 73 HG LEU 11 HG LEU 11 -1.449 -1.253 -0.722 74 HD11 LEU 11 HD11 LEU 11 -3.992 -2.794 -1.219 75 HD12 LEU 11 HD12 LEU 11 -2.346 -3.420 -1.105 76 HD13 LEU 11 HD13 LEU 11 -2.820 -2.442 -2.481 77 HD21 LEU 11 HD21 LEU 11 -4.206 -0.203 -1.423 78 HD22 LEU 11 HD22 LEU 11 -2.774 -0.105 -2.446 79 HD23 LEU 11 HD23 LEU 11 -2.834 0.789 -0.928 80 H VAL 12 HN VAL 12 -0.638 -1.327 2.342 81 HA VAL 12 HA VAL 12 1.482 -1.928 0.654 82 HB VAL 12 HB VAL 12 1.765 -1.749 3.664 83 HG11 VAL 12 HG11 VAL 12 3.757 -2.308 2.102 84 HG12 VAL 12 HG12 VAL 12 3.955 -0.971 3.231 85 HG13 VAL 12 HG13 VAL 12 3.601 -0.646 1.536 86 HG21 VAL 12 HG21 VAL 12 0.319 0.073 2.888 87 HG22 VAL 12 HG22 VAL 12 1.463 0.455 1.602 88 HG23 VAL 12 HG23 VAL 12 1.914 0.711 3.286 89 H GLU 13 HN GLU 13 1.079 -3.612 3.796 90 HA GLU 13 HA GLU 13 2.897 -5.680 3.364 91 HB2 GLU 13 HB2 GLU 13 0.190 -5.925 4.711 92 HB3 GLU 13 HB1 GLU 13 1.552 -7.025 4.928 93 HG2 GLU 13 HG2 GLU 13 2.916 -5.088 5.747 94 HG3 GLU 13 HG1 GLU 13 1.468 -4.085 5.662 95 H ALA 14 HN ALA 14 -0.262 -5.243 1.936 96 HA ALA 14 HA ALA 14 -0.375 -7.975 0.890 97 HB1 ALA 14 HB1 ALA 14 -2.556 -7.417 0.769 98 HB2 ALA 14 HB2 ALA 14 -2.187 -6.287 -0.538 99 HB3 ALA 14 HB3 ALA 14 -2.180 -5.738 1.131 100 H LEU 15 HN LEU 15 0.059 -4.727 -0.657 101 HA LEU 15 HA LEU 15 0.621 -5.698 -3.230 102 HB2 LEU 15 HB2 LEU 15 1.742 -3.317 -1.754 103 HB3 LEU 15 HB1 LEU 15 2.208 -3.674 -3.414 104 HG LEU 15 HG LEU 15 -0.724 -3.526 -2.715 105 HD11 LEU 15 HD11 LEU 15 0.888 -1.110 -3.581 106 HD12 LEU 15 HD12 LEU 15 0.517 -1.419 -1.888 107 HD13 LEU 15 HD13 LEU 15 -0.787 -1.162 -3.041 108 HD21 LEU 15 HD21 LEU 15 0.105 -4.319 -4.968 109 HD22 LEU 15 HD22 LEU 15 0.810 -2.725 -5.203 110 HD23 LEU 15 HD23 LEU 15 -0.935 -2.901 -5.045 111 H TYR 16 HN TYR 16 2.680 -5.561 -0.370 112 HA TYR 16 HA TYR 16 5.187 -6.076 -1.482 113 HB2 TYR 16 HB2 TYR 16 4.877 -5.701 0.902 114 HB3 TYR 16 HB1 TYR 16 4.012 -7.227 1.055 115 HD1 TYR 16 HD2 TYR 16 7.248 -5.968 -0.401 116 HD2 TYR 16 HD1 TYR 16 5.253 -9.035 1.839 117 HE1 TYR 16 HE2 TYR 16 9.405 -7.151 -0.104 118 HE2 TYR 16 HE1 TYR 16 7.410 -10.223 2.139 119 HH TYR 16 HH TYR 16 10.242 -8.970 1.890 120 H LEU 17 HN LEU 17 2.734 -8.582 -0.621 121 HA LEU 17 HA LEU 17 4.345 -10.739 -1.676 122 HB2 LEU 17 HB2 LEU 17 1.324 -10.606 -1.416 123 HB3 LEU 17 HB1 LEU 17 2.271 -12.054 -1.679 124 HG LEU 17 HG LEU 17 3.479 -11.545 0.496 125 HD11 LEU 17 HD11 LEU 17 3.068 -9.341 1.072 126 HD12 LEU 17 HD12 LEU 17 1.822 -10.126 2.028 127 HD13 LEU 17 HD13 LEU 17 1.409 -9.370 0.494 128 HD21 LEU 17 HD21 LEU 17 0.545 -12.247 0.312 129 HD22 LEU 17 HD22 LEU 17 1.373 -12.253 1.868 130 HD23 LEU 17 HD23 LEU 17 1.920 -13.317 0.574 131 H VAL 18 HN VAL 18 1.559 -8.950 -2.968 132 HA VAL 18 HA VAL 18 1.336 -10.138 -5.487 133 HB VAL 18 HB VAL 18 1.095 -7.178 -4.896 134 HG11 VAL 18 HG11 VAL 18 -0.420 -7.104 -6.729 135 HG12 VAL 18 HG12 VAL 18 -0.412 -8.855 -6.893 136 HG13 VAL 18 HG13 VAL 18 1.024 -7.922 -7.300 137 HG21 VAL 18 HG21 VAL 18 -1.245 -7.648 -4.358 138 HG22 VAL 18 HG22 VAL 18 -0.191 -8.578 -3.295 139 HG23 VAL 18 HG23 VAL 18 -0.985 -9.364 -4.657 140 H CYS 19 HN CYS 19 3.205 -7.186 -4.784 141 HA CYS 19 HA CYS 19 4.575 -7.300 -7.342 142 HB2 CYS 19 HB2 CYS 19 5.487 -5.689 -4.964 143 HB3 CYS 19 HB1 CYS 19 5.583 -5.287 -6.674 144 H GLY 20 HN GLY 20 5.155 -8.540 -4.162 145 HA2 GLY 20 HA2 GLY 20 6.956 -9.758 -3.270 146 HA3 GLY 20 HA1 GLY 20 7.163 -10.343 -4.917 147 H GLU 21 HN GLU 21 9.256 -10.093 -5.489 148 HA GLU 21 HA GLU 21 10.937 -8.022 -4.304 149 HB2 GLU 21 HB2 GLU 21 11.404 -10.083 -6.471 150 HB3 GLU 21 HB1 GLU 21 12.647 -8.957 -5.924 151 HG2 GLU 21 HG2 GLU 21 12.316 -9.797 -3.594 152 HG3 GLU 21 HG1 GLU 21 11.186 -10.996 -4.224 153 H ARG 22 HN ARG 22 8.813 -8.133 -6.952 154 HA ARG 22 HA ARG 22 10.146 -6.547 -8.881 155 HB2 ARG 22 HB2 ARG 22 7.200 -6.407 -8.178 156 HB3 ARG 22 HB1 ARG 22 7.937 -5.958 -9.713 157 HG2 ARG 22 HG2 ARG 22 8.482 -8.220 -10.236 158 HG3 ARG 22 HG1 ARG 22 8.205 -8.752 -8.588 159 HD2 ARG 22 HD2 ARG 22 6.005 -9.131 -9.005 160 HD3 ARG 22 HD1 ARG 22 5.778 -7.511 -9.638 161 HE ARG 22 HE ARG 22 5.870 -9.913 -11.167 162 HH11 ARG 22 HH21 ARG 22 7.313 -6.776 -11.164 163 HH12 ARG 22 HH22 ARG 22 7.668 -6.803 -12.858 164 HH21 ARG 22 HH11 ARG 22 6.322 -9.954 -13.363 165 HH22 ARG 22 HH12 ARG 22 7.107 -8.598 -14.101 166 H GLY 23 HN GLY 23 8.706 -5.688 -5.807 167 HA2 GLY 23 HA2 GLY 23 8.943 -3.668 -4.607 168 HA3 GLY 23 HA1 GLY 23 9.929 -3.041 -5.932 169 H PHE 24 HN PHE 24 7.745 -1.610 -4.596 170 HA PHE 24 HA PHE 24 6.240 -0.895 -7.009 171 HB2 PHE 24 HB2 PHE 24 4.052 -1.302 -6.071 172 HB3 PHE 24 HB1 PHE 24 4.981 -2.796 -5.985 173 HD1 PHE 24 HD1 PHE 24 5.803 -3.663 -3.859 174 HD2 PHE 24 HD2 PHE 24 3.539 -0.014 -4.034 175 HE1 PHE 24 HE1 PHE 24 5.455 -3.759 -1.407 176 HE2 PHE 24 HE2 PHE 24 3.186 -0.124 -1.580 177 HZ PHE 24 HZ PHE 24 4.144 -1.990 -0.273 178 H PHE 25 HN PHE 25 4.656 0.896 -6.436 179 HA PHE 25 HA PHE 25 5.875 2.714 -4.387 180 HB2 PHE 25 HB2 PHE 25 5.029 4.559 -5.869 181 HB3 PHE 25 HB1 PHE 25 6.260 3.558 -6.640 182 HD1 PHE 25 HD1 PHE 25 2.618 4.270 -6.467 183 HD2 PHE 25 HD2 PHE 25 5.737 2.139 -8.515 184 HE1 PHE 25 HE1 PHE 25 1.028 3.706 -8.295 185 HE2 PHE 25 HE2 PHE 25 4.155 1.579 -10.340 186 HZ PHE 25 HZ PHE 25 1.805 2.361 -10.231 187 H TYR 26 HN TYR 26 4.487 3.472 -2.833 188 HA TYR 26 HA TYR 26 1.760 2.474 -2.798 189 HB2 TYR 26 HB2 TYR 26 3.298 3.087 -0.759 190 HB3 TYR 26 HB1 TYR 26 2.724 4.733 -1.031 191 HD1 TYR 26 HD1 TYR 26 1.387 1.229 -0.801 192 HD2 TYR 26 HD2 TYR 26 0.734 5.393 0.043 193 HE1 TYR 26 HE1 TYR 26 -0.736 0.679 0.359 194 HE2 TYR 26 HE2 TYR 26 -1.376 4.830 1.209 195 HH TYR 26 HH TYR 26 -2.556 3.103 2.137 196 H THR 27 HN THR 27 -0.078 4.220 -2.458 197 HA THR 27 HA THR 27 -0.181 5.738 -4.875 198 HB THR 27 HB THR 27 -2.214 4.987 -3.745 199 HG1 THR 27 HG1 THR 27 -1.933 7.799 -3.826 200 HG21 THR 27 HG21 THR 27 -1.453 7.001 -1.609 201 HG22 THR 27 HG22 THR 27 -1.452 5.250 -1.424 202 HG23 THR 27 HG23 THR 27 -2.968 6.103 -1.678 203 H ASP 28 HN ASP 28 -0.735 8.217 -4.730 204 HA ASP 28 HA ASP 28 1.543 9.633 -4.273 205 HB2 ASP 28 HB2 ASP 28 -1.167 10.269 -4.836 206 HB3 ASP 28 HB1 ASP 28 -0.676 11.367 -3.550 207 HA PRO 29 HA PRO 29 2.008 9.856 0.186 208 HB2 PRO 29 HB2 PRO 29 3.688 12.049 0.358 209 HB3 PRO 29 HB1 PRO 29 4.230 10.440 -0.141 210 HG2 PRO 29 HG2 PRO 29 3.737 12.863 -1.817 211 HG3 PRO 29 HG1 PRO 29 4.866 11.528 -2.086 212 HD2 PRO 29 HD2 PRO 29 2.387 11.842 -3.390 213 HD3 PRO 29 HD1 PRO 29 3.340 10.343 -3.305 214 H THR 30 HN THR 30 0.454 12.248 -1.661 215 HA THR 30 HA THR 30 0.171 14.432 0.069 216 HB THR 30 HB THR 30 -1.848 14.972 -1.155 217 HG1 THR 30 HG1 THR 30 -2.571 12.673 -0.963 218 HG21 THR 30 HG21 THR 30 -1.002 14.738 -3.452 219 HG22 THR 30 HG22 THR 30 0.116 13.483 -2.922 220 HG23 THR 30 HG23 THR 30 0.315 15.138 -2.351 221 H GLY 31 HN GLY 31 -1.714 11.409 0.087 222 HA2 GLY 31 HA2 GLY 31 -2.993 10.484 1.833 223 HA3 GLY 31 HA1 GLY 31 -2.221 11.644 2.909 224 H GLY 32 HN GLY 32 -3.307 13.776 0.860 225 HA2 GLY 32 HA2 GLY 32 -5.910 14.099 2.270 226 HA3 GLY 32 HA1 GLY 32 -5.062 15.362 1.374 227 H GLY 33 HN GLY 33 -4.615 13.098 -0.702 228 HA2 GLY 33 HA2 GLY 33 -7.142 12.380 -1.807 229 HA3 GLY 33 HA1 GLY 33 -6.586 13.870 -2.578 230 HA PRO 34 HA PRO 34 -3.016 10.842 -3.528 231 HB2 PRO 34 HB2 PRO 34 -3.226 8.280 -2.460 232 HB3 PRO 34 HB1 PRO 34 -2.334 9.599 -1.702 233 HG2 PRO 34 HG2 PRO 34 -5.007 8.476 -1.007 234 HG3 PRO 34 HG1 PRO 34 -3.804 9.236 0.050 235 HD2 PRO 34 HD2 PRO 34 -6.124 10.501 -0.859 236 HD3 PRO 34 HD1 PRO 34 -4.664 11.339 -0.293 237 H ARG 35 HN ARG 35 -2.891 8.504 -4.695 238 HA ARG 35 HA ARG 35 -4.845 8.475 -6.764 239 HB2 ARG 35 HB2 ARG 35 -2.462 7.385 -6.637 240 HB3 ARG 35 HB1 ARG 35 -3.308 6.002 -5.950 241 HG2 ARG 35 HG2 ARG 35 -4.766 5.893 -7.921 242 HG3 ARG 35 HG1 ARG 35 -3.945 7.285 -8.624 243 HD2 ARG 35 HD2 ARG 35 -1.784 5.744 -8.173 244 HD3 ARG 35 HD1 ARG 35 -2.977 4.458 -8.335 245 HE ARG 35 HE ARG 35 -1.809 5.878 -10.483 246 HH11 ARG 35 HH21 ARG 35 -4.963 5.036 -9.349 247 HH12 ARG 35 HH22 ARG 35 -5.719 5.310 -10.878 248 HH21 ARG 35 HH11 ARG 35 -2.783 6.209 -12.475 249 HH22 ARG 35 HH12 ARG 35 -4.489 5.962 -12.647 250 H ARG 36 HN ARG 36 -6.902 8.494 -5.616 251 HA ARG 36 HA ARG 36 -7.689 6.534 -3.704 252 HB2 ARG 36 HB2 ARG 36 -9.613 7.696 -5.725 253 HB3 ARG 36 HB1 ARG 36 -9.900 7.303 -4.029 254 HG2 ARG 36 HG2 ARG 36 -8.246 9.102 -3.415 255 HG3 ARG 36 HG1 ARG 36 -8.211 9.568 -5.110 256 HD2 ARG 36 HD2 ARG 36 -10.568 9.633 -3.226 257 HD3 ARG 36 HD1 ARG 36 -9.818 11.003 -4.035 258 HE ARG 36 HE ARG 36 -11.928 9.346 -5.066 259 HH11 ARG 36 HH21 ARG 36 -8.964 10.817 -6.062 260 HH12 ARG 36 HH22 ARG 36 -9.322 10.674 -7.749 261 HH21 ARG 36 HH11 ARG 36 -12.403 9.179 -7.247 262 HH22 ARG 36 HH12 ARG 36 -11.265 9.757 -8.418 263 H GLY 37 HN GLY 37 -6.779 6.153 -6.869 264 HA2 GLY 37 HA2 GLY 37 -8.636 4.140 -7.756 265 HA3 GLY 37 HA1 GLY 37 -7.038 4.427 -8.437 266 H ILE 38 HN ILE 38 -5.841 4.035 -5.631 267 HA ILE 38 HA ILE 38 -5.850 1.058 -5.778 268 HB ILE 38 HB ILE 38 -3.727 2.772 -5.798 269 HG12 ILE 38 HG12 ILE 38 -3.327 0.556 -6.424 270 HG13 ILE 38 HG11 ILE 38 -2.346 0.728 -4.987 271 HG21 ILE 38 HG21 ILE 38 -2.524 2.607 -3.660 272 HG22 ILE 38 HG22 ILE 38 -3.928 1.862 -2.911 273 HG23 ILE 38 HG23 ILE 38 -4.014 3.523 -3.492 274 HD11 ILE 38 HD11 ILE 38 -4.641 -0.172 -3.854 275 HD12 ILE 38 HD12 ILE 38 -3.376 -1.238 -4.432 276 HD13 ILE 38 HD13 ILE 38 -4.782 -0.927 -5.440 277 H VAL 39 HN VAL 39 -5.749 3.577 -3.220 278 HA VAL 39 HA VAL 39 -6.295 1.772 -1.106 279 HB VAL 39 HB VAL 39 -7.165 4.663 -1.103 280 HG11 VAL 39 HG11 VAL 39 -7.733 3.216 0.839 281 HG12 VAL 39 HG12 VAL 39 -6.595 4.492 1.272 282 HG13 VAL 39 HG13 VAL 39 -6.021 2.841 1.035 283 HG21 VAL 39 HG21 VAL 39 -4.713 4.935 -0.161 284 HG22 VAL 39 HG22 VAL 39 -4.971 4.911 -1.902 285 HG23 VAL 39 HG23 VAL 39 -4.393 3.462 -1.080 286 H GLU 40 HN GLU 40 -8.672 4.126 -2.440 287 HA GLU 40 HA GLU 40 -10.900 2.999 -1.129 288 HB2 GLU 40 HB2 GLU 40 -10.772 4.411 -3.802 289 HB3 GLU 40 HB1 GLU 40 -12.265 4.062 -2.935 290 HG2 GLU 40 HG2 GLU 40 -11.267 5.308 -0.953 291 HG3 GLU 40 HG1 GLU 40 -9.990 5.847 -2.045 292 H GLN 41 HN GLN 41 -9.651 2.234 -4.392 293 HA GLN 41 HA GLN 41 -11.604 0.443 -5.237 294 HB2 GLN 41 HB2 GLN 41 -9.490 1.138 -6.473 295 HB3 GLN 41 HB1 GLN 41 -8.645 -0.126 -5.575 296 HG2 GLN 41 HG2 GLN 41 -9.327 -1.142 -7.627 297 HG3 GLN 41 HG1 GLN 41 -10.471 -1.719 -6.417 298 HE21 GLN 41 HE21 GLN 41 -12.405 -1.883 -7.531 299 HE22 GLN 41 HE22 GLN 41 -13.094 -0.630 -8.433 300 H CYS 42 HN CYS 42 -8.683 -0.500 -3.379 301 HA CYS 42 HA CYS 42 -9.876 -3.128 -2.842 302 HB2 CYS 42 HB2 CYS 42 -7.296 -1.936 -1.802 303 HB3 CYS 42 HB1 CYS 42 -7.770 -3.634 -1.763 304 H CYS 43 HN CYS 43 -9.541 -0.082 -1.108 305 HA CYS 43 HA CYS 43 -10.167 -1.335 1.483 306 HB2 CYS 43 HB2 CYS 43 -8.743 0.683 1.453 307 HB3 CYS 43 HB1 CYS 43 -10.055 1.598 0.704 308 H HIS 44 HN HIS 44 -11.827 0.955 -0.710 309 HA HIS 44 HA HIS 44 -14.314 0.813 0.744 310 HB2 HIS 44 HB2 HIS 44 -13.548 2.632 -0.909 311 HB3 HIS 44 HB1 HIS 44 -14.049 1.524 -2.182 312 HD2 HIS 44 HD2 HIS 44 -15.636 4.394 -0.675 313 HE1 HIS 44 HE1 HIS 44 -18.810 1.611 -0.761 314 HE2 HIS 44 HE2 HIS 44 -18.210 4.067 -0.485 315 H SER 45 HN SER 45 -12.836 -1.127 -1.765 316 HA SER 45 HA SER 45 -15.207 -2.958 -1.665 317 HB2 SER 45 HB2 SER 45 -15.529 -1.823 -3.740 318 HB3 SER 45 HB1 SER 45 -13.817 -1.907 -4.135 319 HG SER 45 HG SER 45 -15.792 -3.891 -4.206 320 H ILE 46 HN ILE 46 -14.563 -5.108 -2.759 321 HA ILE 46 HA ILE 46 -11.967 -5.946 -1.601 322 HB ILE 46 HB ILE 46 -13.937 -7.800 -2.947 323 HG12 ILE 46 HG12 ILE 46 -15.287 -6.334 -1.442 324 HG13 ILE 46 HG11 ILE 46 -15.223 -7.999 -0.883 325 HG21 ILE 46 HG21 ILE 46 -11.850 -8.758 -2.164 326 HG22 ILE 46 HG22 ILE 46 -13.167 -9.305 -1.129 327 HG23 ILE 46 HG23 ILE 46 -12.074 -8.040 -0.568 328 HD11 ILE 46 HD11 ILE 46 -14.886 -6.377 0.968 329 HD12 ILE 46 HD12 ILE 46 -13.449 -5.770 0.153 330 HD13 ILE 46 HD13 ILE 46 -13.489 -7.428 0.749 331 H CYS 47 HN CYS 47 -10.369 -5.372 -3.093 332 HA CYS 47 HA CYS 47 -10.795 -6.025 -5.961 333 HB2 CYS 47 HB2 CYS 47 -8.947 -4.638 -6.424 334 HB3 CYS 47 HB1 CYS 47 -9.731 -3.830 -5.073 335 H SER 48 HN SER 48 -9.531 -7.559 -7.060 336 HA SER 48 HA SER 48 -8.412 -9.681 -5.381 337 HB2 SER 48 HB2 SER 48 -7.855 -10.633 -7.759 338 HB3 SER 48 HB1 SER 48 -9.536 -10.542 -7.248 339 HG SER 48 HG SER 48 -9.856 -9.225 -8.841 340 H LEU 49 HN LEU 49 -6.201 -10.569 -5.951 341 HA LEU 49 HA LEU 49 -4.178 -8.633 -5.536 342 HB2 LEU 49 HB2 LEU 49 -3.788 -11.307 -6.905 343 HB3 LEU 49 HB1 LEU 49 -2.594 -10.403 -5.981 344 HG LEU 49 HG LEU 49 -5.043 -11.849 -4.949 345 HD11 LEU 49 HD11 LEU 49 -2.833 -13.053 -5.210 346 HD12 LEU 49 HD12 LEU 49 -3.437 -13.006 -3.553 347 HD13 LEU 49 HD13 LEU 49 -2.147 -11.913 -4.052 348 HD21 LEU 49 HD21 LEU 49 -4.261 -10.909 -2.691 349 HD22 LEU 49 HD22 LEU 49 -5.133 -9.793 -3.740 350 HD23 LEU 49 HD23 LEU 49 -3.376 -9.712 -3.632 351 H TYR 50 HN TYR 50 -5.555 -9.995 -8.437 352 HA TYR 50 HA TYR 50 -3.847 -9.298 -10.460 353 HB2 TYR 50 HB2 TYR 50 -6.286 -10.268 -10.417 354 HB3 TYR 50 HB1 TYR 50 -6.774 -8.588 -10.648 355 HD1 TYR 50 HD2 TYR 50 -4.825 -11.365 -11.996 356 HD2 TYR 50 HD1 TYR 50 -6.427 -7.476 -12.723 357 HE1 TYR 50 HE2 TYR 50 -4.276 -11.610 -14.416 358 HE2 TYR 50 HE1 TYR 50 -5.891 -7.689 -15.144 359 HH TYR 50 HH TYR 50 -5.013 -8.979 -16.725 360 H GLN 51 HN GLN 51 -6.367 -7.176 -9.154 361 HA GLN 51 HA GLN 51 -5.547 -4.832 -10.559 362 HB2 GLN 51 HB2 GLN 51 -6.783 -4.741 -7.802 363 HB3 GLN 51 HB1 GLN 51 -7.026 -3.651 -9.166 364 HG2 GLN 51 HG2 GLN 51 -8.017 -5.623 -10.434 365 HG3 GLN 51 HG1 GLN 51 -8.019 -6.492 -8.902 366 HE21 GLN 51 HE21 GLN 51 -8.922 -3.163 -9.934 367 HE22 GLN 51 HE22 GLN 51 -10.426 -3.169 -9.150 368 H LEU 52 HN LEU 52 -4.663 -6.068 -7.349 369 HA LEU 52 HA LEU 52 -2.997 -3.868 -6.645 370 HB2 LEU 52 HB2 LEU 52 -2.810 -6.777 -5.856 371 HB3 LEU 52 HB1 LEU 52 -1.911 -5.475 -5.084 372 HG LEU 52 HG LEU 52 -4.934 -5.709 -5.210 373 HD11 LEU 52 HD11 LEU 52 -4.771 -6.119 -2.835 374 HD12 LEU 52 HD12 LEU 52 -3.026 -5.880 -2.869 375 HD13 LEU 52 HD13 LEU 52 -3.745 -7.272 -3.684 376 HD21 LEU 52 HD21 LEU 52 -3.072 -3.531 -4.357 377 HD22 LEU 52 HD22 LEU 52 -4.506 -3.792 -3.363 378 HD23 LEU 52 HD23 LEU 52 -4.672 -3.408 -5.075 379 H GLU 53 HN GLU 53 -2.545 -6.686 -8.616 380 HA GLU 53 HA GLU 53 0.307 -6.425 -8.894 381 HB2 GLU 53 HB2 GLU 53 -1.662 -8.295 -9.632 382 HB3 GLU 53 HB1 GLU 53 -1.075 -7.687 -11.177 383 HG2 GLU 53 HG2 GLU 53 1.313 -8.117 -10.024 384 HG3 GLU 53 HG1 GLU 53 0.374 -9.255 -9.059 385 H ASN 54 HN ASN 54 -2.276 -4.603 -9.934 386 HA ASN 54 HA ASN 54 -1.261 -3.743 -12.513 387 HB2 ASN 54 HB2 ASN 54 -3.699 -3.667 -11.556 388 HB3 ASN 54 HB1 ASN 54 -3.189 -2.153 -10.809 389 HD21 ASN 54 HD21 ASN 54 -5.167 -2.532 -13.009 390 HD22 ASN 54 HD22 ASN 54 -4.583 -1.627 -14.318 391 H TYR 55 HN TYR 55 -0.847 -2.743 -9.184 392 HA TYR 55 HA TYR 55 0.654 -0.306 -10.050 393 HB2 TYR 55 HB2 TYR 55 -0.017 -1.081 -7.210 394 HB3 TYR 55 HB1 TYR 55 0.339 0.516 -7.855 395 HD1 TYR 55 HD2 TYR 55 -2.133 -2.192 -7.757 396 HD2 TYR 55 HD1 TYR 55 -1.345 1.834 -8.937 397 HE1 TYR 55 HE2 TYR 55 -4.569 -1.859 -8.180 398 HE2 TYR 55 HE1 TYR 55 -3.764 2.187 -9.373 399 HH TYR 55 HH TYR 55 -5.797 0.420 -9.999 400 H CYS 56 HN CYS 56 1.387 -3.455 -9.661 401 HA CYS 56 HA CYS 56 3.676 -3.206 -7.862 402 HB2 CYS 56 HB2 CYS 56 2.734 -5.383 -9.733 403 HB3 CYS 56 HB1 CYS 56 4.237 -5.505 -8.826 404 H ASN 57 HN ASN 57 5.344 -1.940 -8.536 405 HA ASN 57 HA ASN 57 6.978 -1.013 -9.946 406 HB2 ASN 57 HB2 ASN 57 7.825 -3.322 -9.784 407 HB3 ASN 57 HB1 ASN 57 6.802 -3.795 -11.140 408 HD21 ASN 57 HD21 ASN 57 8.308 -0.616 -11.168 409 HD22 ASN 57 HD22 ASN 57 9.456 -0.964 -12.369 Start of MODEL 12 1 H1 PHE 1 HT1 PHE 1 -5.755 -11.793 3.527 2 H2 PHE 1 HT2 PHE 1 -5.236 -13.190 2.710 3 H3 PHE 1 HT3 PHE 1 -6.875 -12.746 2.683 4 HA PHE 1 HA PHE 1 -5.868 -10.546 1.674 5 HB2 PHE 1 HB2 PHE 1 -3.584 -11.723 1.911 6 HB3 PHE 1 HB1 PHE 1 -4.067 -12.710 0.543 7 HD1 PHE 1 HD2 PHE 1 -5.631 -9.802 -0.362 8 HD2 PHE 1 HD1 PHE 1 -1.669 -11.277 0.326 9 HE1 PHE 1 HE2 PHE 1 -4.731 -8.090 -1.842 10 HE2 PHE 1 HE1 PHE 1 -0.765 -9.544 -1.163 11 HZ PHE 1 HZ PHE 1 -2.287 -7.942 -2.251 12 H VAL 2 HN VAL 2 -7.955 -12.667 1.659 13 HA VAL 2 HA VAL 2 -8.145 -13.353 -1.237 14 HB VAL 2 HB VAL 2 -10.162 -14.723 -0.239 15 HG11 VAL 2 HG11 VAL 2 -8.257 -15.873 -1.114 16 HG12 VAL 2 HG12 VAL 2 -8.494 -16.505 0.515 17 HG13 VAL 2 HG13 VAL 2 -7.229 -15.316 0.206 18 HG21 VAL 2 HG21 VAL 2 -10.127 -15.135 2.078 19 HG22 VAL 2 HG22 VAL 2 -9.785 -13.409 2.008 20 HG23 VAL 2 HG23 VAL 2 -8.472 -14.554 2.259 21 H ASN 3 HN ASN 3 -10.958 -13.056 0.806 22 HA ASN 3 HA ASN 3 -12.033 -10.977 -1.031 23 HB2 ASN 3 HB2 ASN 3 -13.573 -12.510 1.070 24 HB3 ASN 3 HB1 ASN 3 -14.205 -11.672 -0.347 25 HD21 ASN 3 HD21 ASN 3 -14.583 -12.972 -2.127 26 HD22 ASN 3 HD22 ASN 3 -13.886 -14.496 -2.395 27 H GLN 4 HN GLN 4 -10.147 -10.489 1.269 28 HA GLN 4 HA GLN 4 -11.873 -8.896 3.091 29 HB2 GLN 4 HB2 GLN 4 -9.424 -8.503 4.113 30 HB3 GLN 4 HB1 GLN 4 -10.346 -9.963 4.443 31 HG2 GLN 4 HG2 GLN 4 -9.179 -11.152 2.643 32 HG3 GLN 4 HG1 GLN 4 -8.285 -9.685 2.238 33 HE21 GLN 4 HE21 GLN 4 -8.066 -12.536 4.007 34 HE22 GLN 4 HE22 GLN 4 -6.863 -12.071 5.108 35 H HIS 5 HN HIS 5 -11.343 -6.671 3.510 36 HA HIS 5 HA HIS 5 -10.544 -5.243 1.042 37 HB2 HIS 5 HB2 HIS 5 -11.331 -3.240 2.593 38 HB3 HIS 5 HB1 HIS 5 -12.520 -4.306 1.851 39 HD2 HIS 5 HD2 HIS 5 -11.164 -3.436 5.411 40 HE1 HIS 5 HE1 HIS 5 -14.116 -6.425 5.862 41 HE2 HIS 5 HE2 HIS 5 -12.625 -4.775 7.095 42 H LEU 6 HN LEU 6 -8.708 -4.048 0.876 43 HA LEU 6 HA LEU 6 -6.777 -4.116 3.142 44 HB2 LEU 6 HB2 LEU 6 -6.590 -3.809 0.166 45 HB3 LEU 6 HB1 LEU 6 -5.343 -3.068 1.134 46 HG LEU 6 HG LEU 6 -4.479 -5.101 1.863 47 HD11 LEU 6 HD11 LEU 6 -5.906 -7.283 1.512 48 HD12 LEU 6 HD12 LEU 6 -7.259 -6.160 1.543 49 HD13 LEU 6 HD13 LEU 6 -6.172 -6.270 2.925 50 HD21 LEU 6 HD21 LEU 6 -4.524 -6.663 -0.083 51 HD22 LEU 6 HD22 LEU 6 -4.140 -5.015 -0.533 52 HD23 LEU 6 HD23 LEU 6 -5.752 -5.672 -0.827 53 H CYS 7 HN CYS 7 -6.176 -2.248 4.183 54 HA CYS 7 HA CYS 7 -6.746 0.369 2.954 55 HB2 CYS 7 HB2 CYS 7 -8.744 -0.676 4.451 56 HB3 CYS 7 HB1 CYS 7 -7.814 0.094 5.733 57 H GLY 8 HN GLY 8 -5.038 1.640 3.387 58 HA2 GLY 8 HA2 GLY 8 -3.225 2.594 4.557 59 HA3 GLY 8 HA1 GLY 8 -3.813 1.787 6.011 60 H SER 9 HN SER 9 -1.778 1.010 6.666 61 HA SER 9 HA SER 9 0.237 -0.175 5.151 62 HB2 SER 9 HB2 SER 9 -0.667 -1.225 7.844 63 HB3 SER 9 HB1 SER 9 0.953 -1.299 7.156 64 HG SER 9 HG SER 9 0.143 0.521 8.718 65 H ASP 10 HN ASP 10 -2.854 -1.614 6.107 66 HA ASP 10 HA ASP 10 -2.356 -4.330 5.648 67 HB2 ASP 10 HB2 ASP 10 -4.741 -2.559 5.193 68 HB3 ASP 10 HB1 ASP 10 -4.810 -4.217 4.609 69 H LEU 11 HN LEU 11 -3.232 -1.861 3.224 70 HA LEU 11 HA LEU 11 -3.100 -3.523 0.952 71 HB2 LEU 11 HB2 LEU 11 -3.975 -1.257 0.761 72 HB3 LEU 11 HB1 LEU 11 -2.434 -0.578 1.267 73 HG LEU 11 HG LEU 11 -1.359 -1.317 -0.767 74 HD11 LEU 11 HD11 LEU 11 -3.949 -2.782 -1.243 75 HD12 LEU 11 HD12 LEU 11 -2.319 -3.454 -1.156 76 HD13 LEU 11 HD13 LEU 11 -2.785 -2.452 -2.517 77 HD21 LEU 11 HD21 LEU 11 -2.674 0.766 -0.949 78 HD22 LEU 11 HD22 LEU 11 -4.092 -0.175 -1.415 79 HD23 LEU 11 HD23 LEU 11 -2.681 -0.125 -2.471 80 H VAL 12 HN VAL 12 -0.520 -1.420 2.273 81 HA VAL 12 HA VAL 12 1.568 -2.072 0.565 82 HB VAL 12 HB VAL 12 1.890 -1.908 3.573 83 HG11 VAL 12 HG11 VAL 12 4.092 -1.174 3.109 84 HG12 VAL 12 HG12 VAL 12 3.724 -0.856 1.416 85 HG13 VAL 12 HG13 VAL 12 3.848 -2.516 1.994 86 HG21 VAL 12 HG21 VAL 12 0.477 -0.049 2.799 87 HG22 VAL 12 HG22 VAL 12 1.639 0.314 1.525 88 HG23 VAL 12 HG23 VAL 12 2.084 0.543 3.213 89 H GLU 13 HN GLU 13 1.146 -3.751 3.706 90 HA GLU 13 HA GLU 13 2.905 -5.867 3.261 91 HB2 GLU 13 HB2 GLU 13 0.192 -6.115 4.594 92 HB3 GLU 13 HB1 GLU 13 1.589 -7.159 4.856 93 HG2 GLU 13 HG2 GLU 13 2.863 -5.283 5.771 94 HG3 GLU 13 HG1 GLU 13 1.525 -4.184 5.438 95 H ALA 14 HN ALA 14 -0.272 -5.362 1.872 96 HA ALA 14 HA ALA 14 -0.442 -8.084 0.813 97 HB1 ALA 14 HB1 ALA 14 -2.610 -7.483 0.681 98 HB2 ALA 14 HB2 ALA 14 -2.214 -6.345 -0.611 99 HB3 ALA 14 HB3 ALA 14 -2.201 -5.816 1.066 100 H LEU 15 HN LEU 15 0.053 -4.845 -0.729 101 HA LEU 15 HA LEU 15 0.573 -5.811 -3.306 102 HB2 LEU 15 HB2 LEU 15 1.783 -3.474 -1.833 103 HB3 LEU 15 HB1 LEU 15 2.211 -3.839 -3.500 104 HG LEU 15 HG LEU 15 -0.705 -3.612 -2.766 105 HD11 LEU 15 HD11 LEU 15 -0.716 -1.247 -3.054 106 HD12 LEU 15 HD12 LEU 15 0.949 -1.226 -3.628 107 HD13 LEU 15 HD13 LEU 15 0.607 -1.546 -1.931 108 HD21 LEU 15 HD21 LEU 15 -0.910 -2.938 -5.092 109 HD22 LEU 15 HD22 LEU 15 0.063 -4.403 -5.032 110 HD23 LEU 15 HD23 LEU 15 0.839 -2.841 -5.259 111 H TYR 16 HN TYR 16 2.666 -5.755 -0.467 112 HA TYR 16 HA TYR 16 5.146 -6.338 -1.607 113 HB2 TYR 16 HB2 TYR 16 4.899 -5.966 0.775 114 HB3 TYR 16 HB1 TYR 16 3.957 -7.444 0.942 115 HD1 TYR 16 HD2 TYR 16 7.233 -6.353 -0.550 116 HD2 TYR 16 HD1 TYR 16 5.108 -9.320 1.703 117 HE1 TYR 16 HE2 TYR 16 9.331 -7.646 -0.278 118 HE2 TYR 16 HE1 TYR 16 7.204 -10.619 1.979 119 HH TYR 16 HH TYR 16 9.347 -10.869 1.016 120 H LEU 17 HN LEU 17 2.612 -8.768 -0.770 121 HA LEU 17 HA LEU 17 4.175 -10.958 -1.851 122 HB2 LEU 17 HB2 LEU 17 1.158 -10.787 -1.571 123 HB3 LEU 17 HB1 LEU 17 2.098 -12.243 -1.808 124 HG LEU 17 HG LEU 17 3.299 -11.713 0.362 125 HD11 LEU 17 HD11 LEU 17 2.921 -9.511 0.931 126 HD12 LEU 17 HD12 LEU 17 1.620 -10.247 1.852 127 HD13 LEU 17 HD13 LEU 17 1.283 -9.497 0.297 128 HD21 LEU 17 HD21 LEU 17 0.359 -12.390 0.174 129 HD22 LEU 17 HD22 LEU 17 1.172 -12.369 1.737 130 HD23 LEU 17 HD23 LEU 17 1.722 -13.466 0.472 131 H VAL 18 HN VAL 18 1.406 -9.095 -3.073 132 HA VAL 18 HA VAL 18 1.111 -10.258 -5.595 133 HB VAL 18 HB VAL 18 0.936 -7.310 -4.950 134 HG11 VAL 18 HG11 VAL 18 -0.755 -7.341 -6.769 135 HG12 VAL 18 HG12 VAL 18 -0.290 -9.006 -7.114 136 HG13 VAL 18 HG13 VAL 18 0.877 -7.704 -7.304 137 HG21 VAL 18 HG21 VAL 18 -1.399 -7.719 -4.448 138 HG22 VAL 18 HG22 VAL 18 -0.413 -8.773 -3.436 139 HG23 VAL 18 HG23 VAL 18 -1.221 -9.422 -4.862 140 H CYS 19 HN CYS 19 3.051 -7.342 -4.912 141 HA CYS 19 HA CYS 19 4.352 -7.469 -7.505 142 HB2 CYS 19 HB2 CYS 19 5.344 -5.892 -5.136 143 HB3 CYS 19 HB1 CYS 19 5.453 -5.494 -6.843 144 H GLY 20 HN GLY 20 4.995 -8.739 -4.342 145 HA2 GLY 20 HA2 GLY 20 6.769 -10.039 -3.524 146 HA3 GLY 20 HA1 GLY 20 6.963 -10.559 -5.196 147 H GLU 21 HN GLU 21 9.128 -10.399 -5.580 148 HA GLU 21 HA GLU 21 10.783 -8.320 -4.402 149 HB2 GLU 21 HB2 GLU 21 11.295 -10.365 -6.577 150 HB3 GLU 21 HB1 GLU 21 12.529 -9.264 -5.962 151 HG2 GLU 21 HG2 GLU 21 12.076 -10.148 -3.656 152 HG3 GLU 21 HG1 GLU 21 10.996 -11.342 -4.378 153 H ARG 22 HN ARG 22 8.727 -8.431 -7.108 154 HA ARG 22 HA ARG 22 10.109 -6.863 -9.007 155 HB2 ARG 22 HB2 ARG 22 7.153 -6.642 -8.368 156 HB3 ARG 22 HB1 ARG 22 7.935 -6.268 -9.901 157 HG2 ARG 22 HG2 ARG 22 8.404 -8.553 -10.352 158 HG3 ARG 22 HG1 ARG 22 8.110 -9.034 -8.693 159 HD2 ARG 22 HD2 ARG 22 5.896 -9.345 -9.086 160 HD3 ARG 22 HD1 ARG 22 5.724 -7.757 -9.812 161 HE ARG 22 HE ARG 22 5.766 -10.250 -11.201 162 HH11 ARG 22 HH21 ARG 22 7.267 -7.144 -11.361 163 HH12 ARG 22 HH22 ARG 22 7.634 -7.272 -13.049 164 HH21 ARG 22 HH11 ARG 22 6.236 -10.425 -13.389 165 HH22 ARG 22 HH12 ARG 22 7.052 -9.128 -14.195 166 H GLY 23 HN GLY 23 8.645 -5.988 -5.959 167 HA2 GLY 23 HA2 GLY 23 8.913 -3.987 -4.737 168 HA3 GLY 23 HA1 GLY 23 9.923 -3.368 -6.046 169 H PHE 24 HN PHE 24 7.772 -1.909 -4.701 170 HA PHE 24 HA PHE 24 6.298 -1.103 -7.103 171 HB2 PHE 24 HB2 PHE 24 4.095 -1.462 -6.184 172 HB3 PHE 24 HB1 PHE 24 4.972 -2.987 -6.119 173 HD1 PHE 24 HD1 PHE 24 5.762 -3.909 -3.995 174 HD2 PHE 24 HD2 PHE 24 3.604 -0.195 -4.133 175 HE1 PHE 24 HE1 PHE 24 5.399 -4.026 -1.548 176 HE2 PHE 24 HE2 PHE 24 3.236 -0.327 -1.682 177 HZ PHE 24 HZ PHE 24 4.134 -2.238 -0.396 178 H PHE 25 HN PHE 25 4.761 0.724 -6.481 179 HA PHE 25 HA PHE 25 6.034 2.454 -4.388 180 HB2 PHE 25 HB2 PHE 25 5.301 4.364 -5.814 181 HB3 PHE 25 HB1 PHE 25 6.435 3.305 -6.655 182 HD1 PHE 25 HD1 PHE 25 2.816 4.121 -6.261 183 HD2 PHE 25 HD2 PHE 25 5.795 2.119 -8.624 184 HE1 PHE 25 HE1 PHE 25 1.131 3.727 -8.045 185 HE2 PHE 25 HE2 PHE 25 4.117 1.729 -10.407 186 HZ PHE 25 HZ PHE 25 1.788 2.531 -10.118 187 H TYR 26 HN TYR 26 4.645 3.441 -2.925 188 HA TYR 26 HA TYR 26 1.892 2.437 -2.859 189 HB2 TYR 26 HB2 TYR 26 3.474 2.966 -0.821 190 HB3 TYR 26 HB1 TYR 26 2.919 4.625 -1.043 191 HD1 TYR 26 HD1 TYR 26 1.556 1.128 -0.856 192 HD2 TYR 26 HD2 TYR 26 0.931 5.288 0.038 193 HE1 TYR 26 HE1 TYR 26 -0.561 0.576 0.314 194 HE2 TYR 26 HE2 TYR 26 -1.177 4.722 1.208 195 HH TYR 26 HH TYR 26 -2.142 2.685 2.368 196 H THR 27 HN THR 27 0.106 4.189 -2.485 197 HA THR 27 HA THR 27 0.020 5.810 -4.840 198 HB THR 27 HB THR 27 -2.020 4.998 -3.768 199 HG1 THR 27 HG1 THR 27 -1.572 7.378 -4.670 200 HG21 THR 27 HG21 THR 27 -1.264 5.132 -1.436 201 HG22 THR 27 HG22 THR 27 -2.780 5.992 -1.640 202 HG23 THR 27 HG23 THR 27 -1.269 6.889 -1.517 203 H ASP 28 HN ASP 28 -0.563 8.266 -4.581 204 HA ASP 28 HA ASP 28 1.672 9.725 -4.063 205 HB2 ASP 28 HB2 ASP 28 -1.146 10.296 -4.399 206 HB3 ASP 28 HB1 ASP 28 -0.458 11.450 -3.264 207 HA PRO 29 HA PRO 29 2.203 9.728 0.392 208 HB2 PRO 29 HB2 PRO 29 3.775 11.987 0.673 209 HB3 PRO 29 HB1 PRO 29 4.384 10.443 0.058 210 HG2 PRO 29 HG2 PRO 29 3.721 12.939 -1.447 211 HG3 PRO 29 HG1 PRO 29 4.922 11.696 -1.817 212 HD2 PRO 29 HD2 PRO 29 2.415 11.937 -3.067 213 HD3 PRO 29 HD1 PRO 29 3.446 10.489 -3.077 214 H THR 30 HN THR 30 0.480 12.161 -1.249 215 HA THR 30 HA THR 30 0.147 14.207 0.630 216 HB THR 30 HB THR 30 -1.961 14.702 -0.478 217 HG1 THR 30 HG1 THR 30 -2.904 12.708 -0.575 218 HG21 THR 30 HG21 THR 30 -1.168 14.629 -2.841 219 HG22 THR 30 HG22 THR 30 0.122 13.534 -2.348 220 HG23 THR 30 HG23 THR 30 0.083 15.184 -1.728 221 H GLY 31 HN GLY 31 -1.584 11.094 0.522 222 HA2 GLY 31 HA2 GLY 31 -2.745 9.998 2.253 223 HA3 GLY 31 HA1 GLY 31 -1.992 11.130 3.369 224 H GLY 32 HN GLY 32 -3.279 13.319 1.497 225 HA2 GLY 32 HA2 GLY 32 -5.830 13.409 3.034 226 HA3 GLY 32 HA1 GLY 32 -5.092 14.770 2.187 227 H GLY 33 HN GLY 33 -4.602 12.817 -0.107 228 HA2 GLY 33 HA2 GLY 33 -7.143 11.971 -1.132 229 HA3 GLY 33 HA1 GLY 33 -6.719 13.548 -1.806 230 HA PRO 34 HA PRO 34 -2.998 10.854 -3.124 231 HB2 PRO 34 HB2 PRO 34 -3.052 8.193 -2.284 232 HB3 PRO 34 HB1 PRO 34 -2.155 9.479 -1.478 233 HG2 PRO 34 HG2 PRO 34 -4.723 8.186 -0.698 234 HG3 PRO 34 HG1 PRO 34 -3.497 8.949 0.329 235 HD2 PRO 34 HD2 PRO 34 -5.938 10.127 -0.355 236 HD3 PRO 34 HD1 PRO 34 -4.495 11.011 0.186 237 H ARG 35 HN ARG 35 -2.790 8.586 -4.469 238 HA ARG 35 HA ARG 35 -4.731 8.668 -6.526 239 HB2 ARG 35 HB2 ARG 35 -2.349 7.543 -6.436 240 HB3 ARG 35 HB1 ARG 35 -3.230 6.124 -5.875 241 HG2 ARG 35 HG2 ARG 35 -4.724 6.356 -7.900 242 HG3 ARG 35 HG1 ARG 35 -3.622 7.601 -8.490 243 HD2 ARG 35 HD2 ARG 35 -1.776 6.036 -8.541 244 HD3 ARG 35 HD1 ARG 35 -2.744 4.794 -7.746 245 HE ARG 35 HE ARG 35 -4.179 5.397 -10.044 246 HH11 ARG 35 HH21 ARG 35 -0.948 4.473 -9.270 247 HH12 ARG 35 HH22 ARG 35 -0.688 3.637 -10.765 248 HH21 ARG 35 HH11 ARG 35 -3.858 4.307 -11.998 249 HH22 ARG 35 HH12 ARG 35 -2.335 3.543 -12.308 250 H ARG 36 HN ARG 36 -6.800 8.625 -5.441 251 HA ARG 36 HA ARG 36 -7.642 6.598 -3.641 252 HB2 ARG 36 HB2 ARG 36 -9.979 7.184 -4.689 253 HB3 ARG 36 HB1 ARG 36 -9.105 8.429 -3.793 254 HG2 ARG 36 HG2 ARG 36 -8.364 9.503 -5.763 255 HG3 ARG 36 HG1 ARG 36 -8.732 8.101 -6.767 256 HD2 ARG 36 HD2 ARG 36 -10.441 9.799 -7.131 257 HD3 ARG 36 HD1 ARG 36 -11.163 8.443 -6.265 258 HE ARG 36 HE ARG 36 -10.364 10.147 -4.240 259 HH11 ARG 36 HH21 ARG 36 -12.222 10.418 -7.132 260 HH12 ARG 36 HH22 ARG 36 -13.251 11.664 -6.511 261 HH21 ARG 36 HH11 ARG 36 -11.696 11.776 -3.415 262 HH22 ARG 36 HH12 ARG 36 -12.953 12.433 -4.407 263 H GLY 37 HN GLY 37 -6.560 6.223 -6.738 264 HA2 GLY 37 HA2 GLY 37 -8.448 4.278 -7.740 265 HA3 GLY 37 HA1 GLY 37 -6.829 4.564 -8.374 266 H ILE 38 HN ILE 38 -5.669 4.115 -5.584 267 HA ILE 38 HA ILE 38 -5.738 1.141 -5.744 268 HB ILE 38 HB ILE 38 -3.579 2.813 -5.754 269 HG12 ILE 38 HG12 ILE 38 -3.206 0.602 -6.404 270 HG13 ILE 38 HG11 ILE 38 -2.241 0.728 -4.951 271 HG21 ILE 38 HG21 ILE 38 -3.800 1.881 -2.877 272 HG22 ILE 38 HG22 ILE 38 -3.850 3.549 -3.443 273 HG23 ILE 38 HG23 ILE 38 -2.379 2.604 -3.620 274 HD11 ILE 38 HD11 ILE 38 -4.704 -0.868 -5.465 275 HD12 ILE 38 HD12 ILE 38 -4.570 -0.142 -3.864 276 HD13 ILE 38 HD13 ILE 38 -3.319 -1.226 -4.443 277 H VAL 39 HN VAL 39 -5.603 3.656 -3.178 278 HA VAL 39 HA VAL 39 -6.208 1.839 -1.077 279 HB VAL 39 HB VAL 39 -6.999 4.750 -1.001 280 HG11 VAL 39 HG11 VAL 39 -6.416 4.547 1.336 281 HG12 VAL 39 HG12 VAL 39 -5.722 2.946 1.075 282 HG13 VAL 39 HG13 VAL 39 -7.463 3.187 0.928 283 HG21 VAL 39 HG21 VAL 39 -4.513 4.993 -0.178 284 HG22 VAL 39 HG22 VAL 39 -4.843 4.967 -1.908 285 HG23 VAL 39 HG23 VAL 39 -4.242 3.515 -1.105 286 H GLU 40 HN GLU 40 -8.486 4.293 -2.404 287 HA GLU 40 HA GLU 40 -10.764 3.245 -1.111 288 HB2 GLU 40 HB2 GLU 40 -10.711 4.543 -3.844 289 HB3 GLU 40 HB1 GLU 40 -12.092 4.446 -2.753 290 HG2 GLU 40 HG2 GLU 40 -10.630 5.675 -1.040 291 HG3 GLU 40 HG1 GLU 40 -9.536 6.016 -2.381 292 H GLN 41 HN GLN 41 -9.515 2.446 -4.363 293 HA GLN 41 HA GLN 41 -11.518 0.721 -5.234 294 HB2 GLN 41 HB2 GLN 41 -9.390 1.347 -6.461 295 HB3 GLN 41 HB1 GLN 41 -8.567 0.087 -5.538 296 HG2 GLN 41 HG2 GLN 41 -9.244 -0.942 -7.589 297 HG3 GLN 41 HG1 GLN 41 -10.392 -1.503 -6.374 298 HE21 GLN 41 HE21 GLN 41 -12.187 -1.777 -7.765 299 HE22 GLN 41 HE22 GLN 41 -12.932 -0.483 -8.560 300 H CYS 42 HN CYS 42 -8.639 -0.310 -3.370 301 HA CYS 42 HA CYS 42 -9.895 -2.907 -2.840 302 HB2 CYS 42 HB2 CYS 42 -7.281 -1.744 -1.854 303 HB3 CYS 42 HB1 CYS 42 -7.796 -3.423 -1.705 304 H CYS 43 HN CYS 43 -9.433 0.110 -1.071 305 HA CYS 43 HA CYS 43 -10.132 -1.146 1.497 306 HB2 CYS 43 HB2 CYS 43 -8.599 0.807 1.470 307 HB3 CYS 43 HB1 CYS 43 -9.891 1.796 0.783 308 H HIS 44 HN HIS 44 -11.666 1.254 -0.671 309 HA HIS 44 HA HIS 44 -14.165 1.201 0.772 310 HB2 HIS 44 HB2 HIS 44 -13.297 3.006 -0.873 311 HB3 HIS 44 HB1 HIS 44 -13.885 1.940 -2.149 312 HD2 HIS 44 HD2 HIS 44 -16.804 1.254 -1.674 313 HE1 HIS 44 HE1 HIS 44 -17.485 4.988 0.182 314 HE2 HIS 44 HE2 HIS 44 -18.597 2.956 -0.866 315 H SER 45 HN SER 45 -12.756 -0.743 -1.764 316 HA SER 45 HA SER 45 -15.185 -2.492 -1.706 317 HB2 SER 45 HB2 SER 45 -13.701 -2.002 -4.285 318 HB3 SER 45 HB1 SER 45 -15.325 -2.641 -4.046 319 HG SER 45 HG SER 45 -15.026 -0.174 -2.955 320 H ILE 46 HN ILE 46 -14.700 -4.724 -2.303 321 HA ILE 46 HA ILE 46 -12.038 -5.536 -1.396 322 HB ILE 46 HB ILE 46 -14.157 -7.362 -2.553 323 HG12 ILE 46 HG12 ILE 46 -15.139 -5.774 -0.779 324 HG13 ILE 46 HG11 ILE 46 -15.302 -7.493 -0.470 325 HG21 ILE 46 HG21 ILE 46 -13.185 -8.907 -0.828 326 HG22 ILE 46 HG22 ILE 46 -11.961 -7.683 -0.490 327 HG23 ILE 46 HG23 ILE 46 -12.051 -8.426 -2.086 328 HD11 ILE 46 HD11 ILE 46 -12.829 -6.288 0.636 329 HD12 ILE 46 HD12 ILE 46 -13.960 -7.424 1.363 330 HD13 ILE 46 HD13 ILE 46 -14.332 -5.703 1.347 331 H CYS 47 HN CYS 47 -10.507 -5.042 -2.990 332 HA CYS 47 HA CYS 47 -11.093 -5.725 -5.809 333 HB2 CYS 47 HB2 CYS 47 -9.098 -4.559 -6.359 334 HB3 CYS 47 HB1 CYS 47 -9.832 -3.620 -5.063 335 H SER 48 HN SER 48 -9.455 -7.020 -7.031 336 HA SER 48 HA SER 48 -8.650 -9.396 -5.431 337 HB2 SER 48 HB2 SER 48 -8.172 -10.270 -7.855 338 HB3 SER 48 HB1 SER 48 -9.839 -10.106 -7.322 339 HG SER 48 HG SER 48 -9.825 -8.017 -8.320 340 H LEU 49 HN LEU 49 -6.504 -10.379 -6.070 341 HA LEU 49 HA LEU 49 -4.365 -8.566 -5.620 342 HB2 LEU 49 HB2 LEU 49 -4.164 -11.242 -7.025 343 HB3 LEU 49 HB1 LEU 49 -2.892 -10.422 -6.127 344 HG LEU 49 HG LEU 49 -5.394 -11.732 -5.045 345 HD11 LEU 49 HD11 LEU 49 -3.262 -13.052 -5.367 346 HD12 LEU 49 HD12 LEU 49 -3.823 -12.989 -3.697 347 HD13 LEU 49 HD13 LEU 49 -2.486 -11.963 -4.217 348 HD21 LEU 49 HD21 LEU 49 -3.579 -9.704 -3.741 349 HD22 LEU 49 HD22 LEU 49 -4.517 -10.860 -2.797 350 HD23 LEU 49 HD23 LEU 49 -5.340 -9.683 -3.815 351 H TYR 50 HN TYR 50 -5.864 -9.779 -8.516 352 HA TYR 50 HA TYR 50 -4.125 -9.180 -10.546 353 HB2 TYR 50 HB2 TYR 50 -6.633 -9.980 -10.487 354 HB3 TYR 50 HB1 TYR 50 -6.994 -8.270 -10.728 355 HD1 TYR 50 HD2 TYR 50 -5.234 -11.184 -12.054 356 HD2 TYR 50 HD1 TYR 50 -6.584 -7.208 -12.814 357 HE1 TYR 50 HE2 TYR 50 -4.709 -11.487 -14.472 358 HE2 TYR 50 HE1 TYR 50 -6.069 -7.477 -15.235 359 HH TYR 50 HH TYR 50 -5.513 -8.963 -16.842 360 H GLN 51 HN GLN 51 -6.497 -6.896 -9.222 361 HA GLN 51 HA GLN 51 -5.490 -4.624 -10.632 362 HB2 GLN 51 HB2 GLN 51 -6.825 -4.530 -7.913 363 HB3 GLN 51 HB1 GLN 51 -6.813 -3.286 -9.158 364 HG2 GLN 51 HG2 GLN 51 -7.940 -5.091 -10.672 365 HG3 GLN 51 HG1 GLN 51 -8.306 -5.904 -9.151 366 HE21 GLN 51 HE21 GLN 51 -10.085 -4.389 -11.175 367 HE22 GLN 51 HE22 GLN 51 -10.945 -3.285 -10.214 368 H LEU 52 HN LEU 52 -4.714 -5.943 -7.432 369 HA LEU 52 HA LEU 52 -2.933 -3.848 -6.674 370 HB2 LEU 52 HB2 LEU 52 -2.918 -6.775 -5.942 371 HB3 LEU 52 HB1 LEU 52 -1.957 -5.542 -5.135 372 HG LEU 52 HG LEU 52 -4.987 -5.631 -5.280 373 HD11 LEU 52 HD11 LEU 52 -3.845 -7.248 -3.762 374 HD12 LEU 52 HD12 LEU 52 -4.857 -6.078 -2.917 375 HD13 LEU 52 HD13 LEU 52 -3.106 -5.881 -2.925 376 HD21 LEU 52 HD21 LEU 52 -3.042 -3.538 -4.390 377 HD22 LEU 52 HD22 LEU 52 -4.501 -3.747 -3.421 378 HD23 LEU 52 HD23 LEU 52 -4.623 -3.341 -5.131 379 H GLU 53 HN GLU 53 -2.717 -6.495 -8.837 380 HA GLU 53 HA GLU 53 0.182 -6.461 -9.070 381 HB2 GLU 53 HB2 GLU 53 -1.863 -8.237 -9.757 382 HB3 GLU 53 HB1 GLU 53 -1.355 -7.621 -11.327 383 HG2 GLU 53 HG2 GLU 53 0.567 -8.741 -9.264 384 HG3 GLU 53 HG1 GLU 53 -0.139 -9.697 -10.555 385 H ASN 54 HN ASN 54 -2.301 -4.478 -10.053 386 HA ASN 54 HA ASN 54 -1.230 -3.648 -12.631 387 HB2 ASN 54 HB2 ASN 54 -3.688 -3.512 -11.658 388 HB3 ASN 54 HB1 ASN 54 -3.137 -1.975 -10.991 389 HD21 ASN 54 HD21 ASN 54 -5.154 -2.269 -13.088 390 HD22 ASN 54 HD22 ASN 54 -4.545 -1.511 -14.476 391 H TYR 55 HN TYR 55 -0.825 -2.715 -9.286 392 HA TYR 55 HA TYR 55 0.659 -0.252 -10.074 393 HB2 TYR 55 HB2 TYR 55 0.026 -1.211 -7.278 394 HB3 TYR 55 HB1 TYR 55 0.445 0.419 -7.796 395 HD1 TYR 55 HD2 TYR 55 -2.144 -2.164 -7.805 396 HD2 TYR 55 HD1 TYR 55 -1.173 1.852 -8.881 397 HE1 TYR 55 HE2 TYR 55 -4.563 -1.707 -8.216 398 HE2 TYR 55 HE1 TYR 55 -3.574 2.326 -9.306 399 HH TYR 55 HH TYR 55 -5.617 1.152 -9.813 400 H CYS 56 HN CYS 56 1.421 -3.433 -9.799 401 HA CYS 56 HA CYS 56 3.851 -3.145 -8.166 402 HB2 CYS 56 HB2 CYS 56 2.896 -5.409 -9.941 403 HB3 CYS 56 HB1 CYS 56 4.289 -5.479 -8.871 404 H ASN 57 HN ASN 57 5.515 -2.001 -9.047 405 HA ASN 57 HA ASN 57 7.025 -1.185 -10.654 406 HB2 ASN 57 HB2 ASN 57 7.852 -3.471 -10.547 407 HB3 ASN 57 HB1 ASN 57 6.591 -4.016 -11.654 408 HD21 ASN 57 HD21 ASN 57 9.767 -2.638 -11.478 409 HD22 ASN 57 HD22 ASN 57 9.978 -2.378 -13.142 Start of MODEL 13 1 H1 PHE 1 HT1 PHE 1 -6.821 -12.765 2.824 2 H2 PHE 1 HT2 PHE 1 -5.549 -12.003 3.653 3 H3 PHE 1 HT3 PHE 1 -5.248 -13.390 2.718 4 HA PHE 1 HA PHE 1 -5.811 -10.642 1.840 5 HB2 PHE 1 HB2 PHE 1 -3.491 -11.678 2.144 6 HB3 PHE 1 HB1 PHE 1 -3.867 -12.717 0.780 7 HD1 PHE 1 HD2 PHE 1 -5.533 -9.842 -0.178 8 HD2 PHE 1 HD1 PHE 1 -1.545 -11.233 0.543 9 HE1 PHE 1 HE2 PHE 1 -4.663 -8.136 -1.675 10 HE2 PHE 1 HE1 PHE 1 -0.672 -9.499 -0.966 11 HZ PHE 1 HZ PHE 1 -2.222 -7.942 -2.078 12 H VAL 2 HN VAL 2 -7.852 -12.743 1.648 13 HA VAL 2 HA VAL 2 -7.865 -13.414 -1.260 14 HB VAL 2 HB VAL 2 -9.956 -14.773 -0.382 15 HG11 VAL 2 HG11 VAL 2 -7.864 -15.790 -1.193 16 HG12 VAL 2 HG12 VAL 2 -8.454 -16.636 0.238 17 HG13 VAL 2 HG13 VAL 2 -7.111 -15.502 0.376 18 HG21 VAL 2 HG21 VAL 2 -10.034 -15.214 1.928 19 HG22 VAL 2 HG22 VAL 2 -9.668 -13.490 1.896 20 HG23 VAL 2 HG23 VAL 2 -8.382 -14.656 2.193 21 H ASN 3 HN ASN 3 -10.782 -13.126 0.625 22 HA ASN 3 HA ASN 3 -11.747 -11.003 -1.228 23 HB2 ASN 3 HB2 ASN 3 -13.401 -12.660 0.688 24 HB3 ASN 3 HB1 ASN 3 -13.967 -11.726 -0.694 25 HD21 ASN 3 HD21 ASN 3 -14.219 -12.882 -2.595 26 HD22 ASN 3 HD22 ASN 3 -13.504 -14.384 -2.929 27 H GLN 4 HN GLN 4 -10.026 -10.552 1.178 28 HA GLN 4 HA GLN 4 -11.875 -9.081 2.979 29 HB2 GLN 4 HB2 GLN 4 -9.462 -8.647 4.092 30 HB3 GLN 4 HB1 GLN 4 -10.359 -10.137 4.356 31 HG2 GLN 4 HG2 GLN 4 -9.115 -11.249 2.563 32 HG3 GLN 4 HG1 GLN 4 -8.250 -9.751 2.212 33 HE21 GLN 4 HE21 GLN 4 -8.113 -12.624 4.014 34 HE22 GLN 4 HE22 GLN 4 -6.893 -12.175 5.102 35 H HIS 5 HN HIS 5 -11.336 -6.845 3.551 36 HA HIS 5 HA HIS 5 -10.607 -5.293 1.143 37 HB2 HIS 5 HB2 HIS 5 -11.478 -3.379 2.512 38 HB3 HIS 5 HB1 HIS 5 -12.658 -4.661 2.263 39 HD2 HIS 5 HD2 HIS 5 -13.515 -5.937 4.613 40 HE1 HIS 5 HE1 HIS 5 -10.926 -3.915 7.270 41 HE2 HIS 5 HE2 HIS 5 -12.894 -5.517 7.103 42 H LEU 6 HN LEU 6 -8.774 -4.098 0.976 43 HA LEU 6 HA LEU 6 -6.830 -4.143 3.238 44 HB2 LEU 6 HB2 LEU 6 -6.639 -3.877 0.258 45 HB3 LEU 6 HB1 LEU 6 -5.410 -3.095 1.217 46 HG LEU 6 HG LEU 6 -4.510 -5.097 1.984 47 HD11 LEU 6 HD11 LEU 6 -6.176 -6.291 3.054 48 HD12 LEU 6 HD12 LEU 6 -5.902 -7.312 1.650 49 HD13 LEU 6 HD13 LEU 6 -7.270 -6.205 1.676 50 HD21 LEU 6 HD21 LEU 6 -5.756 -5.737 -0.703 51 HD22 LEU 6 HD22 LEU 6 -4.512 -6.689 0.063 52 HD23 LEU 6 HD23 LEU 6 -4.162 -5.039 -0.413 53 H CYS 7 HN CYS 7 -6.359 -2.264 4.312 54 HA CYS 7 HA CYS 7 -6.920 0.336 3.020 55 HB2 CYS 7 HB2 CYS 7 -8.918 -0.710 4.503 56 HB3 CYS 7 HB1 CYS 7 -8.006 0.068 5.794 57 H GLY 8 HN GLY 8 -5.228 1.639 3.446 58 HA2 GLY 8 HA2 GLY 8 -3.442 2.635 4.617 59 HA3 GLY 8 HA1 GLY 8 -4.031 1.841 6.077 60 H SER 9 HN SER 9 -1.947 1.148 6.731 61 HA SER 9 HA SER 9 0.082 -0.043 5.268 62 HB2 SER 9 HB2 SER 9 -0.861 -1.066 7.959 63 HB3 SER 9 HB1 SER 9 0.767 -1.170 7.296 64 HG SER 9 HG SER 9 1.079 0.902 7.710 65 H ASP 10 HN ASP 10 -2.996 -1.523 6.199 66 HA ASP 10 HA ASP 10 -2.468 -4.234 5.764 67 HB2 ASP 10 HB2 ASP 10 -4.861 -2.492 5.237 68 HB3 ASP 10 HB1 ASP 10 -4.904 -4.169 4.709 69 H LEU 11 HN LEU 11 -3.356 -1.806 3.302 70 HA LEU 11 HA LEU 11 -3.163 -3.497 1.053 71 HB2 LEU 11 HB2 LEU 11 -4.094 -1.256 0.820 72 HB3 LEU 11 HB1 LEU 11 -2.575 -0.531 1.330 73 HG LEU 11 HG LEU 11 -1.463 -1.274 -0.683 74 HD11 LEU 11 HD11 LEU 11 -4.013 -2.805 -1.167 75 HD12 LEU 11 HD12 LEU 11 -2.370 -3.438 -1.051 76 HD13 LEU 11 HD13 LEU 11 -2.842 -2.467 -2.432 77 HD21 LEU 11 HD21 LEU 11 -2.849 0.772 -0.892 78 HD22 LEU 11 HD22 LEU 11 -4.212 -0.223 -1.403 79 HD23 LEU 11 HD23 LEU 11 -2.768 -0.123 -2.408 80 H VAL 12 HN VAL 12 -0.649 -1.316 2.372 81 HA VAL 12 HA VAL 12 1.461 -1.928 0.678 82 HB VAL 12 HB VAL 12 1.738 -1.693 3.688 83 HG11 VAL 12 HG11 VAL 12 3.946 -0.906 3.227 84 HG12 VAL 12 HG12 VAL 12 3.612 -0.761 1.505 85 HG13 VAL 12 HG13 VAL 12 3.751 -2.354 2.245 86 HG21 VAL 12 HG21 VAL 12 0.325 0.122 2.674 87 HG22 VAL 12 HG22 VAL 12 1.672 0.511 1.607 88 HG23 VAL 12 HG23 VAL 12 1.840 0.716 3.349 89 H GLU 13 HN GLU 13 1.074 -3.590 3.832 90 HA GLU 13 HA GLU 13 2.891 -5.660 3.411 91 HB2 GLU 13 HB2 GLU 13 0.193 -5.817 4.788 92 HB3 GLU 13 HB1 GLU 13 1.467 -7.027 4.939 93 HG2 GLU 13 HG2 GLU 13 2.993 -5.110 5.693 94 HG3 GLU 13 HG1 GLU 13 1.523 -4.146 5.854 95 H ALA 14 HN ALA 14 -0.304 -5.265 2.021 96 HA ALA 14 HA ALA 14 -0.393 -7.994 0.984 97 HB1 ALA 14 HB1 ALA 14 -2.211 -5.769 1.208 98 HB2 ALA 14 HB2 ALA 14 -2.577 -7.450 0.842 99 HB3 ALA 14 HB3 ALA 14 -2.207 -6.322 -0.464 100 H LEU 15 HN LEU 15 0.022 -4.764 -0.598 101 HA LEU 15 HA LEU 15 0.564 -5.742 -3.163 102 HB2 LEU 15 HB2 LEU 15 1.706 -3.365 -1.704 103 HB3 LEU 15 HB1 LEU 15 2.173 -3.733 -3.360 104 HG LEU 15 HG LEU 15 -0.759 -3.561 -2.666 105 HD11 LEU 15 HD11 LEU 15 0.879 -1.170 -3.552 106 HD12 LEU 15 HD12 LEU 15 0.494 -1.456 -1.859 107 HD13 LEU 15 HD13 LEU 15 -0.800 -1.198 -3.024 108 HD21 LEU 15 HD21 LEU 15 0.054 -4.382 -4.911 109 HD22 LEU 15 HD22 LEU 15 0.790 -2.804 -5.159 110 HD23 LEU 15 HD23 LEU 15 -0.958 -2.945 -5.004 111 H TYR 16 HN TYR 16 2.678 -5.579 -0.340 112 HA TYR 16 HA TYR 16 5.158 -6.120 -1.486 113 HB2 TYR 16 HB2 TYR 16 4.915 -5.715 0.889 114 HB3 TYR 16 HB1 TYR 16 4.018 -7.217 1.088 115 HD1 TYR 16 HD2 TYR 16 7.251 -6.060 -0.451 116 HD2 TYR 16 HD1 TYR 16 5.230 -9.041 1.878 117 HE1 TYR 16 HE2 TYR 16 9.386 -7.289 -0.176 118 HE2 TYR 16 HE1 TYR 16 7.365 -10.275 2.158 119 HH TYR 16 HH TYR 16 10.169 -9.166 1.909 120 H LEU 17 HN LEU 17 2.704 -8.606 -0.584 121 HA LEU 17 HA LEU 17 4.314 -10.773 -1.634 122 HB2 LEU 17 HB2 LEU 17 1.295 -10.668 -1.344 123 HB3 LEU 17 HB1 LEU 17 2.264 -12.106 -1.569 124 HG LEU 17 HG LEU 17 3.465 -11.527 0.588 125 HD11 LEU 17 HD11 LEU 17 1.777 -10.078 2.075 126 HD12 LEU 17 HD12 LEU 17 1.394 -9.358 0.516 127 HD13 LEU 17 HD13 LEU 17 3.042 -9.319 1.121 128 HD21 LEU 17 HD21 LEU 17 0.533 -12.246 0.438 129 HD22 LEU 17 HD22 LEU 17 1.376 -12.218 1.985 130 HD23 LEU 17 HD23 LEU 17 1.913 -13.308 0.707 131 H VAL 18 HN VAL 18 1.507 -8.993 -2.883 132 HA VAL 18 HA VAL 18 1.225 -10.209 -5.381 133 HB VAL 18 HB VAL 18 0.986 -7.256 -4.779 134 HG11 VAL 18 HG11 VAL 18 0.933 -7.733 -7.139 135 HG12 VAL 18 HG12 VAL 18 -0.678 -7.301 -6.592 136 HG13 VAL 18 HG13 VAL 18 -0.271 -8.988 -6.898 137 HG21 VAL 18 HG21 VAL 18 -1.107 -9.429 -4.634 138 HG22 VAL 18 HG22 VAL 18 -1.346 -7.721 -4.273 139 HG23 VAL 18 HG23 VAL 18 -0.320 -8.707 -3.233 140 H CYS 19 HN CYS 19 3.087 -7.226 -4.779 141 HA CYS 19 HA CYS 19 4.378 -7.374 -7.373 142 HB2 CYS 19 HB2 CYS 19 5.346 -5.726 -5.045 143 HB3 CYS 19 HB1 CYS 19 5.426 -5.356 -6.760 144 H GLY 20 HN GLY 20 5.076 -8.572 -4.199 145 HA2 GLY 20 HA2 GLY 20 6.919 -9.752 -3.346 146 HA3 GLY 20 HA1 GLY 20 7.048 -10.387 -4.983 147 H GLU 21 HN GLU 21 9.110 -10.161 -5.670 148 HA GLU 21 HA GLU 21 10.876 -8.101 -4.610 149 HB2 GLU 21 HB2 GLU 21 11.202 -10.136 -6.829 150 HB3 GLU 21 HB1 GLU 21 12.488 -9.053 -6.294 151 HG2 GLU 21 HG2 GLU 21 12.341 -9.970 -4.023 152 HG3 GLU 21 HG1 GLU 21 11.015 -11.022 -4.520 153 H ARG 22 HN ARG 22 8.655 -8.253 -7.214 154 HA ARG 22 HA ARG 22 9.889 -6.640 -9.170 155 HB2 ARG 22 HB2 ARG 22 6.974 -6.500 -8.344 156 HB3 ARG 22 HB1 ARG 22 7.647 -6.033 -9.904 157 HG2 ARG 22 HG2 ARG 22 8.315 -8.340 -10.352 158 HG3 ARG 22 HG1 ARG 22 7.754 -8.839 -8.757 159 HD2 ARG 22 HD2 ARG 22 5.937 -9.409 -10.129 160 HD3 ARG 22 HD1 ARG 22 5.459 -7.825 -9.522 161 HE ARG 22 HE ARG 22 6.826 -7.257 -11.868 162 HH11 ARG 22 HH21 ARG 22 4.209 -9.289 -10.912 163 HH12 ARG 22 HH22 ARG 22 3.405 -9.199 -12.444 164 HH21 ARG 22 HH11 ARG 22 5.788 -7.124 -13.872 165 HH22 ARG 22 HH12 ARG 22 4.298 -7.972 -14.118 166 H GLY 23 HN GLY 23 8.562 -5.780 -6.044 167 HA2 GLY 23 HA2 GLY 23 8.857 -3.769 -4.849 168 HA3 GLY 23 HA1 GLY 23 9.803 -3.146 -6.204 169 H PHE 24 HN PHE 24 7.681 -1.699 -4.791 170 HA PHE 24 HA PHE 24 6.103 -0.961 -7.150 171 HB2 PHE 24 HB2 PHE 24 3.946 -1.344 -6.143 172 HB3 PHE 24 HB1 PHE 24 4.857 -2.849 -6.084 173 HD1 PHE 24 HD1 PHE 24 5.755 -3.710 -3.975 174 HD2 PHE 24 HD2 PHE 24 3.489 -0.062 -4.097 175 HE1 PHE 24 HE1 PHE 24 5.475 -3.802 -1.515 176 HE2 PHE 24 HE2 PHE 24 3.205 -0.165 -1.633 177 HZ PHE 24 HZ PHE 24 4.198 -2.029 -0.349 178 H PHE 25 HN PHE 25 4.564 0.847 -6.518 179 HA PHE 25 HA PHE 25 5.861 2.638 -4.495 180 HB2 PHE 25 HB2 PHE 25 4.988 4.500 -5.965 181 HB3 PHE 25 HB1 PHE 25 6.231 3.508 -6.729 182 HD1 PHE 25 HD1 PHE 25 2.602 4.249 -6.607 183 HD2 PHE 25 HD2 PHE 25 5.712 2.031 -8.574 184 HE1 PHE 25 HE1 PHE 25 1.025 3.669 -8.439 185 HE2 PHE 25 HE2 PHE 25 4.143 1.457 -10.405 186 HZ PHE 25 HZ PHE 25 1.802 2.274 -10.338 187 H TYR 26 HN TYR 26 4.517 3.311 -2.870 188 HA TYR 26 HA TYR 26 1.774 2.400 -2.810 189 HB2 TYR 26 HB2 TYR 26 3.347 2.993 -0.793 190 HB3 TYR 26 HB1 TYR 26 2.797 4.648 -1.061 191 HD1 TYR 26 HD1 TYR 26 1.407 1.167 -0.808 192 HD2 TYR 26 HD2 TYR 26 0.829 5.343 0.033 193 HE1 TYR 26 HE1 TYR 26 -0.713 0.655 0.375 194 HE2 TYR 26 HE2 TYR 26 -1.278 4.816 1.223 195 HH TYR 26 HH TYR 26 -2.992 2.286 0.878 196 H THR 27 HN THR 27 -0.035 4.174 -2.444 197 HA THR 27 HA THR 27 -0.151 5.691 -4.860 198 HB THR 27 HB THR 27 -2.171 4.964 -3.672 199 HG1 THR 27 HG1 THR 27 -1.814 7.755 -3.917 200 HG21 THR 27 HG21 THR 27 -1.386 5.282 -1.370 201 HG22 THR 27 HG22 THR 27 -2.889 6.155 -1.630 202 HG23 THR 27 HG23 THR 27 -1.357 7.027 -1.601 203 H ASP 28 HN ASP 28 -0.648 8.187 -4.706 204 HA ASP 28 HA ASP 28 1.677 9.538 -4.276 205 HB2 ASP 28 HB2 ASP 28 -0.992 10.247 -4.862 206 HB3 ASP 28 HB1 ASP 28 -0.523 11.307 -3.537 207 HA PRO 29 HA PRO 29 2.158 9.779 0.186 208 HB2 PRO 29 HB2 PRO 29 3.910 11.920 0.331 209 HB3 PRO 29 HB1 PRO 29 4.399 10.286 -0.144 210 HG2 PRO 29 HG2 PRO 29 4.005 12.702 -1.852 211 HG3 PRO 29 HG1 PRO 29 5.070 11.313 -2.108 212 HD2 PRO 29 HD2 PRO 29 2.592 11.731 -3.400 213 HD3 PRO 29 HD1 PRO 29 3.491 10.198 -3.324 214 H THR 30 HN THR 30 0.687 12.196 -1.694 215 HA THR 30 HA THR 30 0.469 14.415 -0.001 216 HB THR 30 HB THR 30 -1.521 15.004 -1.244 217 HG1 THR 30 HG1 THR 30 -2.228 13.201 -2.743 218 HG21 THR 30 HG21 THR 30 0.651 15.048 -2.443 219 HG22 THR 30 HG22 THR 30 -0.690 14.697 -3.532 220 HG23 THR 30 HG23 THR 30 0.368 13.397 -2.988 221 H GLY 31 HN GLY 31 -1.509 11.455 0.059 222 HA2 GLY 31 HA2 GLY 31 -2.821 10.595 1.814 223 HA3 GLY 31 HA1 GLY 31 -2.022 11.749 2.876 224 H GLY 32 HN GLY 32 -3.037 13.874 0.778 225 HA2 GLY 32 HA2 GLY 32 -5.631 14.302 2.175 226 HA3 GLY 32 HA1 GLY 32 -4.747 15.519 1.250 227 H GLY 33 HN GLY 33 -4.361 13.221 -0.787 228 HA2 GLY 33 HA2 GLY 33 -6.910 12.538 -1.870 229 HA3 GLY 33 HA1 GLY 33 -6.321 14.000 -2.668 230 HA PRO 34 HA PRO 34 -2.822 10.879 -3.559 231 HB2 PRO 34 HB2 PRO 34 -3.101 8.334 -2.460 232 HB3 PRO 34 HB1 PRO 34 -2.172 9.639 -1.721 233 HG2 PRO 34 HG2 PRO 34 -4.874 8.602 -1.008 234 HG3 PRO 34 HG1 PRO 34 -3.650 9.345 0.037 235 HD2 PRO 34 HD2 PRO 34 -5.934 10.659 -0.887 236 HD3 PRO 34 HD1 PRO 34 -4.450 11.467 -0.339 237 H ARG 35 HN ARG 35 -2.757 8.516 -4.696 238 HA ARG 35 HA ARG 35 -4.724 8.533 -6.760 239 HB2 ARG 35 HB2 ARG 35 -2.344 7.379 -6.593 240 HB3 ARG 35 HB1 ARG 35 -3.262 6.005 -5.985 241 HG2 ARG 35 HG2 ARG 35 -4.700 6.114 -8.027 242 HG3 ARG 35 HG1 ARG 35 -3.664 7.401 -8.647 243 HD2 ARG 35 HD2 ARG 35 -1.703 5.796 -8.330 244 HD3 ARG 35 HD1 ARG 35 -2.901 4.527 -8.074 245 HE ARG 35 HE ARG 35 -3.678 5.692 -10.465 246 HH11 ARG 35 HH21 ARG 35 -0.776 4.370 -9.152 247 HH12 ARG 35 HH22 ARG 35 -0.176 3.819 -10.681 248 HH21 ARG 35 HH11 ARG 35 -2.913 4.977 -12.470 249 HH22 ARG 35 HH12 ARG 35 -1.387 4.162 -12.559 250 H ARG 36 HN ARG 36 -6.762 8.607 -5.603 251 HA ARG 36 HA ARG 36 -7.574 6.667 -3.678 252 HB2 ARG 36 HB2 ARG 36 -9.944 7.331 -4.631 253 HB3 ARG 36 HB1 ARG 36 -8.981 8.536 -3.774 254 HG2 ARG 36 HG2 ARG 36 -8.285 9.586 -5.771 255 HG3 ARG 36 HG1 ARG 36 -8.741 8.200 -6.760 256 HD2 ARG 36 HD2 ARG 36 -10.401 9.953 -7.064 257 HD3 ARG 36 HD1 ARG 36 -11.140 8.631 -6.160 258 HE ARG 36 HE ARG 36 -10.179 10.330 -4.190 259 HH11 ARG 36 HH21 ARG 36 -12.188 10.607 -6.978 260 HH12 ARG 36 HH22 ARG 36 -13.145 11.894 -6.323 261 HH21 ARG 36 HH11 ARG 36 -11.415 12.010 -3.321 262 HH22 ARG 36 HH12 ARG 36 -12.708 12.687 -4.252 263 H GLY 37 HN GLY 37 -6.590 6.072 -6.730 264 HA2 GLY 37 HA2 GLY 37 -8.659 4.203 -7.577 265 HA3 GLY 37 HA1 GLY 37 -7.092 4.433 -8.348 266 H ILE 38 HN ILE 38 -5.810 4.029 -5.556 267 HA ILE 38 HA ILE 38 -5.858 1.053 -5.717 268 HB ILE 38 HB ILE 38 -3.716 2.736 -5.770 269 HG12 ILE 38 HG12 ILE 38 -3.325 0.515 -6.378 270 HG13 ILE 38 HG11 ILE 38 -2.349 0.681 -4.936 271 HG21 ILE 38 HG21 ILE 38 -3.889 1.861 -2.871 272 HG22 ILE 38 HG22 ILE 38 -3.979 3.514 -3.469 273 HG23 ILE 38 HG23 ILE 38 -2.493 2.597 -3.646 274 HD11 ILE 38 HD11 ILE 38 -3.402 -1.280 -4.396 275 HD12 ILE 38 HD12 ILE 38 -4.812 -0.940 -5.388 276 HD13 ILE 38 HD13 ILE 38 -4.644 -0.193 -3.801 277 H VAL 39 HN VAL 39 -5.703 3.572 -3.162 278 HA VAL 39 HA VAL 39 -6.259 1.776 -1.038 279 HB VAL 39 HB VAL 39 -7.094 4.678 -1.029 280 HG11 VAL 39 HG11 VAL 39 -5.991 2.791 1.075 281 HG12 VAL 39 HG12 VAL 39 -7.668 3.318 0.935 282 HG13 VAL 39 HG13 VAL 39 -6.409 4.483 1.345 283 HG21 VAL 39 HG21 VAL 39 -4.329 3.460 -1.035 284 HG22 VAL 39 HG22 VAL 39 -4.631 4.941 -0.126 285 HG23 VAL 39 HG23 VAL 39 -4.908 4.904 -1.864 286 H GLU 40 HN GLU 40 -8.582 4.165 -2.386 287 HA GLU 40 HA GLU 40 -10.845 3.118 -1.081 288 HB2 GLU 40 HB2 GLU 40 -10.830 4.323 -3.858 289 HB3 GLU 40 HB1 GLU 40 -12.179 4.289 -2.723 290 HG2 GLU 40 HG2 GLU 40 -10.626 5.566 -1.108 291 HG3 GLU 40 HG1 GLU 40 -9.606 5.858 -2.517 292 H GLN 41 HN GLN 41 -9.643 2.282 -4.348 293 HA GLN 41 HA GLN 41 -11.614 0.496 -5.145 294 HB2 GLN 41 HB2 GLN 41 -9.530 1.130 -6.427 295 HB3 GLN 41 HB1 GLN 41 -8.654 -0.076 -5.482 296 HG2 GLN 41 HG2 GLN 41 -10.138 -1.836 -6.296 297 HG3 GLN 41 HG1 GLN 41 -11.121 -0.652 -7.155 298 HE21 GLN 41 HE21 GLN 41 -10.706 -1.092 -9.313 299 HE22 GLN 41 HE22 GLN 41 -9.158 -1.156 -9.990 300 H CYS 42 HN CYS 42 -8.692 -0.460 -3.301 301 HA CYS 42 HA CYS 42 -9.897 -3.071 -2.728 302 HB2 CYS 42 HB2 CYS 42 -7.313 -1.882 -1.693 303 HB3 CYS 42 HB1 CYS 42 -7.793 -3.579 -1.658 304 H CYS 43 HN CYS 43 -9.535 -0.014 -1.019 305 HA CYS 43 HA CYS 43 -10.172 -1.246 1.580 306 HB2 CYS 43 HB2 CYS 43 -8.714 0.742 1.535 307 HB3 CYS 43 HB1 CYS 43 -10.010 1.680 0.787 308 H HIS 44 HN HIS 44 -11.802 1.056 -0.623 309 HA HIS 44 HA HIS 44 -14.289 0.961 0.834 310 HB2 HIS 44 HB2 HIS 44 -13.541 2.764 -0.815 311 HB3 HIS 44 HB1 HIS 44 -13.977 1.639 -2.098 312 HD2 HIS 44 HD2 HIS 44 -15.671 4.480 -0.629 313 HE1 HIS 44 HE1 HIS 44 -18.785 1.639 -0.876 314 HE2 HIS 44 HE2 HIS 44 -18.244 4.102 -0.546 315 H SER 45 HN SER 45 -12.841 -1.015 -1.666 316 HA SER 45 HA SER 45 -15.214 -2.838 -1.522 317 HB2 SER 45 HB2 SER 45 -15.556 -1.716 -3.603 318 HB3 SER 45 HB1 SER 45 -13.850 -1.819 -4.020 319 HG SER 45 HG SER 45 -15.821 -3.829 -3.966 320 H ILE 46 HN ILE 46 -14.594 -4.999 -2.601 321 HA ILE 46 HA ILE 46 -11.994 -5.844 -1.465 322 HB ILE 46 HB ILE 46 -14.020 -7.645 -2.801 323 HG12 ILE 46 HG12 ILE 46 -15.297 -6.231 -1.229 324 HG13 ILE 46 HG11 ILE 46 -15.172 -7.883 -0.638 325 HG21 ILE 46 HG21 ILE 46 -12.082 -7.993 -0.499 326 HG22 ILE 46 HG22 ILE 46 -11.895 -8.638 -2.130 327 HG23 ILE 46 HG23 ILE 46 -13.195 -9.224 -1.092 328 HD11 ILE 46 HD11 ILE 46 -13.251 -7.190 0.805 329 HD12 ILE 46 HD12 ILE 46 -14.742 -6.342 1.198 330 HD13 ILE 46 HD13 ILE 46 -13.491 -5.529 0.265 331 H CYS 47 HN CYS 47 -10.397 -5.266 -2.973 332 HA CYS 47 HA CYS 47 -10.840 -5.933 -5.834 333 HB2 CYS 47 HB2 CYS 47 -8.975 -4.577 -6.313 334 HB3 CYS 47 HB1 CYS 47 -9.743 -3.749 -4.965 335 H SER 48 HN SER 48 -9.649 -7.518 -6.915 336 HA SER 48 HA SER 48 -8.533 -9.633 -5.232 337 HB2 SER 48 HB2 SER 48 -8.019 -10.603 -7.623 338 HB3 SER 48 HB1 SER 48 -9.687 -10.503 -7.073 339 HG SER 48 HG SER 48 -9.704 -9.547 -9.030 340 H LEU 49 HN LEU 49 -6.347 -10.563 -5.820 341 HA LEU 49 HA LEU 49 -4.279 -8.668 -5.444 342 HB2 LEU 49 HB2 LEU 49 -3.974 -11.357 -6.808 343 HB3 LEU 49 HB1 LEU 49 -2.740 -10.476 -5.915 344 HG LEU 49 HG LEU 49 -5.199 -11.860 -4.824 345 HD11 LEU 49 HD11 LEU 49 -3.119 -13.187 -5.077 346 HD12 LEU 49 HD12 LEU 49 -3.533 -12.960 -3.378 347 HD13 LEU 49 HD13 LEU 49 -2.252 -11.994 -4.109 348 HD21 LEU 49 HD21 LEU 49 -3.461 -9.750 -3.549 349 HD22 LEU 49 HD22 LEU 49 -4.354 -10.926 -2.586 350 HD23 LEU 49 HD23 LEU 49 -5.222 -9.796 -3.623 351 H TYR 50 HN TYR 50 -5.732 -10.007 -8.315 352 HA TYR 50 HA TYR 50 -4.047 -9.356 -10.372 353 HB2 TYR 50 HB2 TYR 50 -6.510 -10.269 -10.272 354 HB3 TYR 50 HB1 TYR 50 -6.959 -8.580 -10.512 355 HD1 TYR 50 HD2 TYR 50 -5.112 -11.423 -11.868 356 HD2 TYR 50 HD1 TYR 50 -6.621 -7.498 -12.605 357 HE1 TYR 50 HE2 TYR 50 -4.628 -11.710 -14.297 358 HE2 TYR 50 HE1 TYR 50 -6.146 -7.753 -15.035 359 HH TYR 50 HH TYR 50 -4.394 -9.278 -16.411 360 H GLN 51 HN GLN 51 -6.499 -7.176 -9.036 361 HA GLN 51 HA GLN 51 -5.649 -4.857 -10.464 362 HB2 GLN 51 HB2 GLN 51 -6.857 -4.743 -7.695 363 HB3 GLN 51 HB1 GLN 51 -7.082 -3.637 -9.048 364 HG2 GLN 51 HG2 GLN 51 -8.127 -5.580 -10.324 365 HG3 GLN 51 HG1 GLN 51 -8.148 -6.452 -8.794 366 HE21 GLN 51 HE21 GLN 51 -8.984 -3.116 -9.853 367 HE22 GLN 51 HE22 GLN 51 -10.475 -3.074 -9.047 368 H LEU 52 HN LEU 52 -4.736 -6.105 -7.268 369 HA LEU 52 HA LEU 52 -3.019 -3.929 -6.591 370 HB2 LEU 52 HB2 LEU 52 -2.881 -6.837 -5.791 371 HB3 LEU 52 HB1 LEU 52 -1.957 -5.547 -5.029 372 HG LEU 52 HG LEU 52 -4.983 -5.736 -5.137 373 HD11 LEU 52 HD11 LEU 52 -4.821 -6.143 -2.769 374 HD12 LEU 52 HD12 LEU 52 -3.075 -5.908 -2.797 375 HD13 LEU 52 HD13 LEU 52 -3.794 -7.303 -3.607 376 HD21 LEU 52 HD21 LEU 52 -3.087 -3.580 -4.300 377 HD22 LEU 52 HD22 LEU 52 -4.526 -3.814 -3.307 378 HD23 LEU 52 HD23 LEU 52 -4.684 -3.437 -5.021 379 H GLU 53 HN GLU 53 -2.693 -6.708 -8.611 380 HA GLU 53 HA GLU 53 0.179 -6.550 -8.922 381 HB2 GLU 53 HB2 GLU 53 -1.835 -8.386 -9.568 382 HB3 GLU 53 HB1 GLU 53 -1.330 -7.793 -11.146 383 HG2 GLU 53 HG2 GLU 53 0.609 -8.825 -9.056 384 HG3 GLU 53 HG1 GLU 53 -0.085 -9.833 -10.313 385 H ASN 54 HN ASN 54 -2.367 -4.655 -9.907 386 HA ASN 54 HA ASN 54 -1.364 -3.845 -12.515 387 HB2 ASN 54 HB2 ASN 54 -3.802 -3.749 -11.512 388 HB3 ASN 54 HB1 ASN 54 -3.278 -2.199 -10.854 389 HD21 ASN 54 HD21 ASN 54 -5.321 -2.521 -12.912 390 HD22 ASN 54 HD22 ASN 54 -4.748 -1.760 -14.314 391 H TYR 55 HN TYR 55 -0.904 -2.827 -9.198 392 HA TYR 55 HA TYR 55 0.522 -0.359 -10.088 393 HB2 TYR 55 HB2 TYR 55 -0.051 -1.226 -7.250 394 HB3 TYR 55 HB1 TYR 55 0.319 0.391 -7.838 395 HD1 TYR 55 HD2 TYR 55 -2.200 -2.260 -7.731 396 HD2 TYR 55 HD1 TYR 55 -1.350 1.751 -8.920 397 HE1 TYR 55 HE2 TYR 55 -4.636 -1.877 -8.117 398 HE2 TYR 55 HE1 TYR 55 -3.768 2.151 -9.322 399 HH TYR 55 HH TYR 55 -6.148 -0.464 -8.969 400 H CYS 56 HN CYS 56 1.339 -3.510 -9.739 401 HA CYS 56 HA CYS 56 3.773 -3.142 -8.129 402 HB2 CYS 56 HB2 CYS 56 2.833 -5.471 -9.824 403 HB3 CYS 56 HB1 CYS 56 4.238 -5.490 -8.767 404 H ASN 57 HN ASN 57 5.418 -2.015 -9.043 405 HA ASN 57 HA ASN 57 6.912 -1.217 -10.671 406 HB2 ASN 57 HB2 ASN 57 7.642 -3.589 -10.450 407 HB3 ASN 57 HB1 ASN 57 6.528 -4.025 -11.743 408 HD21 ASN 57 HD21 ASN 57 8.424 -1.018 -11.665 409 HD22 ASN 57 HD22 ASN 57 9.383 -1.388 -13.016 Start of MODEL 14 1 H1 PHE 1 HT1 PHE 1 -5.406 -13.057 2.824 2 H2 PHE 1 HT2 PHE 1 -7.015 -12.509 2.843 3 H3 PHE 1 HT3 PHE 1 -5.800 -11.618 3.630 4 HA PHE 1 HA PHE 1 -5.969 -10.403 1.743 5 HB2 PHE 1 HB2 PHE 1 -3.696 -11.608 2.017 6 HB3 PHE 1 HB1 PHE 1 -4.187 -12.604 0.658 7 HD1 PHE 1 HD2 PHE 1 -5.721 -9.722 -0.318 8 HD2 PHE 1 HD1 PHE 1 -1.770 -11.171 0.472 9 HE1 PHE 1 HE2 PHE 1 -4.797 -8.034 -1.814 10 HE2 PHE 1 HE1 PHE 1 -0.843 -9.467 -1.031 11 HZ PHE 1 HZ PHE 1 -2.346 -7.889 -2.178 12 H VAL 2 HN VAL 2 -8.072 -12.511 1.786 13 HA VAL 2 HA VAL 2 -8.270 -13.277 -1.089 14 HB VAL 2 HB VAL 2 -10.328 -14.568 -0.036 15 HG11 VAL 2 HG11 VAL 2 -7.433 -15.291 0.493 16 HG12 VAL 2 HG12 VAL 2 -8.369 -15.694 -0.946 17 HG13 VAL 2 HG13 VAL 2 -8.783 -16.421 0.607 18 HG21 VAL 2 HG21 VAL 2 -9.890 -13.224 2.170 19 HG22 VAL 2 HG22 VAL 2 -8.582 -14.376 2.420 20 HG23 VAL 2 HG23 VAL 2 -10.245 -14.947 2.290 21 H ASN 3 HN ASN 3 -11.074 -12.871 0.945 22 HA ASN 3 HA ASN 3 -12.106 -10.808 -0.942 23 HB2 ASN 3 HB2 ASN 3 -13.675 -12.374 1.116 24 HB3 ASN 3 HB1 ASN 3 -14.306 -11.472 -0.260 25 HD21 ASN 3 HD21 ASN 3 -14.719 -12.705 -2.082 26 HD22 ASN 3 HD22 ASN 3 -14.024 -14.216 -2.420 27 H GLN 4 HN GLN 4 -10.268 -10.317 1.391 28 HA GLN 4 HA GLN 4 -12.017 -8.710 3.180 29 HB2 GLN 4 HB2 GLN 4 -9.583 -8.331 4.245 30 HB3 GLN 4 HB1 GLN 4 -10.511 -9.793 4.554 31 HG2 GLN 4 HG2 GLN 4 -9.320 -10.973 2.765 32 HG3 GLN 4 HG1 GLN 4 -8.420 -9.504 2.378 33 HE21 GLN 4 HE21 GLN 4 -8.207 -12.371 4.095 34 HE22 GLN 4 HE22 GLN 4 -7.023 -11.922 5.223 35 H HIS 5 HN HIS 5 -11.392 -6.475 3.639 36 HA HIS 5 HA HIS 5 -10.637 -5.061 1.154 37 HB2 HIS 5 HB2 HIS 5 -11.467 -3.069 2.361 38 HB3 HIS 5 HB1 HIS 5 -12.666 -4.357 2.342 39 HD2 HIS 5 HD2 HIS 5 -12.664 -5.908 4.890 40 HE1 HIS 5 HE1 HIS 5 -11.113 -2.650 7.086 41 HE2 HIS 5 HE2 HIS 5 -12.238 -4.923 7.258 42 H LEU 6 HN LEU 6 -8.777 -3.900 0.926 43 HA LEU 6 HA LEU 6 -6.788 -3.988 3.144 44 HB2 LEU 6 HB2 LEU 6 -6.656 -3.706 0.156 45 HB3 LEU 6 HB1 LEU 6 -5.386 -2.961 1.098 46 HG LEU 6 HG LEU 6 -4.531 -4.993 1.848 47 HD11 LEU 6 HD11 LEU 6 -6.212 -6.151 2.932 48 HD12 LEU 6 HD12 LEU 6 -5.984 -7.169 1.519 49 HD13 LEU 6 HD13 LEU 6 -7.322 -6.027 1.571 50 HD21 LEU 6 HD21 LEU 6 -4.205 -4.932 -0.550 51 HD22 LEU 6 HD22 LEU 6 -5.824 -5.579 -0.830 52 HD23 LEU 6 HD23 LEU 6 -4.600 -6.572 -0.085 53 H CYS 7 HN CYS 7 -6.409 -2.174 4.311 54 HA CYS 7 HA CYS 7 -6.896 0.488 3.069 55 HB2 CYS 7 HB2 CYS 7 -8.048 -0.380 5.740 56 HB3 CYS 7 HB1 CYS 7 -8.142 1.244 5.059 57 H GLY 8 HN GLY 8 -5.168 1.743 3.468 58 HA2 GLY 8 HA2 GLY 8 -3.325 2.679 4.596 59 HA3 GLY 8 HA1 GLY 8 -3.889 1.880 6.061 60 H SER 9 HN SER 9 -1.792 1.171 6.646 61 HA SER 9 HA SER 9 0.184 -0.038 5.126 62 HB2 SER 9 HB2 SER 9 -0.766 -0.760 7.909 63 HB3 SER 9 HB1 SER 9 0.709 -1.403 7.193 64 HG SER 9 HG SER 9 1.568 0.381 7.897 65 H ASP 10 HN ASP 10 -2.899 -1.477 6.094 66 HA ASP 10 HA ASP 10 -2.411 -4.195 5.668 67 HB2 ASP 10 HB2 ASP 10 -4.795 -2.452 5.042 68 HB3 ASP 10 HB1 ASP 10 -4.822 -4.177 4.680 69 H LEU 11 HN LEU 11 -3.280 -1.762 3.206 70 HA LEU 11 HA LEU 11 -3.133 -3.441 0.955 71 HB2 LEU 11 HB2 LEU 11 -3.981 -1.170 0.730 72 HB3 LEU 11 HB1 LEU 11 -2.436 -0.502 1.240 73 HG LEU 11 HG LEU 11 -1.355 -1.282 -0.775 74 HD11 LEU 11 HD11 LEU 11 -2.781 -2.417 -2.526 75 HD12 LEU 11 HD12 LEU 11 -3.959 -2.716 -1.257 76 HD13 LEU 11 HD13 LEU 11 -2.341 -3.410 -1.149 77 HD21 LEU 11 HD21 LEU 11 -2.614 0.816 -1.014 78 HD22 LEU 11 HD22 LEU 11 -4.065 -0.096 -1.433 79 HD23 LEU 11 HD23 LEU 11 -2.672 -0.112 -2.512 80 H VAL 12 HN VAL 12 -0.544 -1.374 2.308 81 HA VAL 12 HA VAL 12 1.558 -2.055 0.623 82 HB VAL 12 HB VAL 12 1.846 -1.889 3.635 83 HG11 VAL 12 HG11 VAL 12 3.724 -0.857 1.507 84 HG12 VAL 12 HG12 VAL 12 3.812 -2.526 2.068 85 HG13 VAL 12 HG13 VAL 12 4.067 -1.202 3.200 86 HG21 VAL 12 HG21 VAL 12 1.701 0.355 1.600 87 HG22 VAL 12 HG22 VAL 12 2.049 0.548 3.315 88 HG23 VAL 12 HG23 VAL 12 0.461 -0.012 2.796 89 H GLU 13 HN GLU 13 1.071 -3.709 3.769 90 HA GLU 13 HA GLU 13 2.803 -5.853 3.353 91 HB2 GLU 13 HB2 GLU 13 0.083 -5.975 4.692 92 HB3 GLU 13 HB1 GLU 13 1.389 -7.140 4.910 93 HG2 GLU 13 HG2 GLU 13 2.836 -5.164 5.651 94 HG3 GLU 13 HG1 GLU 13 1.341 -4.232 5.734 95 H ALA 14 HN ALA 14 -0.313 -5.278 1.890 96 HA ALA 14 HA ALA 14 -0.540 -8.012 0.860 97 HB1 ALA 14 HB1 ALA 14 -2.253 -5.702 1.087 98 HB2 ALA 14 HB2 ALA 14 -2.696 -7.366 0.730 99 HB3 ALA 14 HB3 ALA 14 -2.276 -6.260 -0.582 100 H LEU 15 HN LEU 15 0.025 -4.790 -0.694 101 HA LEU 15 HA LEU 15 0.562 -5.792 -3.261 102 HB2 LEU 15 HB2 LEU 15 1.768 -3.449 -1.792 103 HB3 LEU 15 HB1 LEU 15 2.217 -3.828 -3.451 104 HG LEU 15 HG LEU 15 -0.707 -3.574 -2.750 105 HD11 LEU 15 HD11 LEU 15 0.613 -1.511 -1.927 106 HD12 LEU 15 HD12 LEU 15 -0.689 -1.209 -3.072 107 HD13 LEU 15 HD13 LEU 15 0.984 -1.216 -3.624 108 HD21 LEU 15 HD21 LEU 15 -0.900 -2.950 -5.081 109 HD22 LEU 15 HD22 LEU 15 0.095 -4.400 -5.002 110 HD23 LEU 15 HD23 LEU 15 0.850 -2.829 -5.242 111 H TYR 16 HN TYR 16 2.602 -5.734 -0.387 112 HA TYR 16 HA TYR 16 5.099 -6.338 -1.480 113 HB2 TYR 16 HB2 TYR 16 4.803 -5.959 0.899 114 HB3 TYR 16 HB1 TYR 16 3.856 -7.435 1.048 115 HD1 TYR 16 HD2 TYR 16 7.162 -6.355 -0.389 116 HD2 TYR 16 HD1 TYR 16 4.993 -9.308 1.841 117 HE1 TYR 16 HE2 TYR 16 9.251 -7.653 -0.077 118 HE2 TYR 16 HE1 TYR 16 7.080 -10.610 2.157 119 HH TYR 16 HH TYR 16 9.224 -10.857 1.371 120 H LEU 17 HN LEU 17 2.544 -8.747 -0.645 121 HA LEU 17 HA LEU 17 4.080 -10.963 -1.695 122 HB2 LEU 17 HB2 LEU 17 1.066 -10.721 -1.445 123 HB3 LEU 17 HB1 LEU 17 1.964 -12.201 -1.699 124 HG LEU 17 HG LEU 17 3.179 -11.719 0.484 125 HD11 LEU 17 HD11 LEU 17 1.154 -9.501 0.470 126 HD12 LEU 17 HD12 LEU 17 2.812 -9.499 1.046 127 HD13 LEU 17 HD13 LEU 17 1.556 -10.260 2.006 128 HD21 LEU 17 HD21 LEU 17 0.225 -12.331 0.293 129 HD22 LEU 17 HD22 LEU 17 1.061 -12.382 1.843 130 HD23 LEU 17 HD23 LEU 17 1.565 -13.449 0.534 131 H VAL 18 HN VAL 18 1.363 -9.071 -2.991 132 HA VAL 18 HA VAL 18 1.101 -10.256 -5.507 133 HB VAL 18 HB VAL 18 0.971 -7.288 -4.928 134 HG11 VAL 18 HG11 VAL 18 -0.603 -8.904 -6.922 135 HG12 VAL 18 HG12 VAL 18 0.879 -8.047 -7.332 136 HG13 VAL 18 HG13 VAL 18 -0.524 -7.155 -6.769 137 HG21 VAL 18 HG21 VAL 18 -0.373 -8.637 -3.327 138 HG22 VAL 18 HG22 VAL 18 -1.196 -9.389 -4.692 139 HG23 VAL 18 HG23 VAL 18 -1.384 -7.663 -4.392 140 H CYS 19 HN CYS 19 3.089 -7.381 -4.803 141 HA CYS 19 HA CYS 19 4.448 -7.565 -7.364 142 HB2 CYS 19 HB2 CYS 19 5.411 -5.957 -5.007 143 HB3 CYS 19 HB1 CYS 19 5.524 -5.580 -6.721 144 H GLY 20 HN GLY 20 4.988 -8.807 -4.180 145 HA2 GLY 20 HA2 GLY 20 6.792 -10.014 -3.259 146 HA3 GLY 20 HA1 GLY 20 6.885 -10.715 -4.871 147 H GLU 21 HN GLU 21 8.880 -10.538 -5.730 148 HA GLU 21 HA GLU 21 10.810 -8.615 -4.672 149 HB2 GLU 21 HB2 GLU 21 10.956 -10.639 -6.921 150 HB3 GLU 21 HB1 GLU 21 12.318 -9.645 -6.403 151 HG2 GLU 21 HG2 GLU 21 12.079 -10.569 -4.105 152 HG3 GLU 21 HG1 GLU 21 10.781 -11.613 -4.684 153 H ARG 22 HN ARG 22 8.486 -8.576 -7.171 154 HA ARG 22 HA ARG 22 9.780 -7.021 -9.153 155 HB2 ARG 22 HB2 ARG 22 6.881 -6.793 -8.288 156 HB3 ARG 22 HB1 ARG 22 7.549 -6.311 -9.846 157 HG2 ARG 22 HG2 ARG 22 8.155 -8.633 -10.339 158 HG3 ARG 22 HG1 ARG 22 7.567 -9.142 -8.756 159 HD2 ARG 22 HD2 ARG 22 5.752 -9.620 -10.183 160 HD3 ARG 22 HD1 ARG 22 5.313 -8.060 -9.490 161 HE ARG 22 HE ARG 22 6.692 -7.396 -11.801 162 HH11 ARG 22 HH21 ARG 22 4.036 -9.427 -10.964 163 HH12 ARG 22 HH22 ARG 22 3.233 -9.231 -12.486 164 HH21 ARG 22 HH11 ARG 22 5.659 -7.128 -13.795 165 HH22 ARG 22 HH12 ARG 22 4.152 -7.929 -14.088 166 H GLY 23 HN GLY 23 8.521 -6.126 -6.003 167 HA2 GLY 23 HA2 GLY 23 8.913 -4.136 -4.796 168 HA3 GLY 23 HA1 GLY 23 9.882 -3.551 -6.152 169 H PHE 24 HN PHE 24 7.820 -2.026 -4.707 170 HA PHE 24 HA PHE 24 6.281 -1.185 -7.056 171 HB2 PHE 24 HB2 PHE 24 4.108 -1.531 -6.088 172 HB3 PHE 24 HB1 PHE 24 4.981 -3.058 -6.017 173 HD1 PHE 24 HD1 PHE 24 5.810 -3.954 -3.899 174 HD2 PHE 24 HD2 PHE 24 3.670 -0.234 -4.049 175 HE1 PHE 24 HE1 PHE 24 5.495 -4.036 -1.442 176 HE2 PHE 24 HE2 PHE 24 3.348 -0.326 -1.589 177 HZ PHE 24 HZ PHE 24 4.261 -2.221 -0.292 178 H PHE 25 HN PHE 25 4.790 0.657 -6.395 179 HA PHE 25 HA PHE 25 6.123 2.379 -4.331 180 HB2 PHE 25 HB2 PHE 25 5.392 4.292 -5.777 181 HB3 PHE 25 HB1 PHE 25 6.538 3.224 -6.590 182 HD1 PHE 25 HD1 PHE 25 2.924 4.074 -6.272 183 HD2 PHE 25 HD2 PHE 25 5.917 1.969 -8.527 184 HE1 PHE 25 HE1 PHE 25 1.261 3.640 -8.068 185 HE2 PHE 25 HE2 PHE 25 4.260 1.538 -10.321 186 HZ PHE 25 HZ PHE 25 1.935 2.369 -10.092 187 H TYR 26 HN TYR 26 4.746 3.395 -2.860 188 HA TYR 26 HA TYR 26 1.968 2.450 -2.819 189 HB2 TYR 26 HB2 TYR 26 3.551 2.908 -0.763 190 HB3 TYR 26 HB1 TYR 26 3.030 4.581 -0.957 191 HD1 TYR 26 HD1 TYR 26 1.614 1.105 -0.817 192 HD2 TYR 26 HD2 TYR 26 1.030 5.266 0.096 193 HE1 TYR 26 HE1 TYR 26 -0.522 0.575 0.323 194 HE2 TYR 26 HE2 TYR 26 -1.098 4.718 1.241 195 HH TYR 26 HH TYR 26 -2.786 2.950 1.222 196 H THR 27 HN THR 27 0.220 4.210 -2.430 197 HA THR 27 HA THR 27 0.179 5.900 -4.738 198 HB THR 27 HB THR 27 -1.870 5.041 -3.694 199 HG1 THR 27 HG1 THR 27 -2.987 6.969 -3.870 200 HG21 THR 27 HG21 THR 27 -2.679 6.041 -1.591 201 HG22 THR 27 HG22 THR 27 -1.186 6.960 -1.444 202 HG23 THR 27 HG23 THR 27 -1.156 5.206 -1.349 203 H ASP 28 HN ASP 28 -0.429 8.350 -4.400 204 HA ASP 28 HA ASP 28 1.822 9.768 -3.773 205 HB2 ASP 28 HB2 ASP 28 -0.844 10.394 -4.449 206 HB3 ASP 28 HB1 ASP 28 -0.520 11.351 -3.007 207 HA PRO 29 HA PRO 29 2.104 9.704 0.706 208 HB2 PRO 29 HB2 PRO 29 3.665 11.951 1.109 209 HB3 PRO 29 HB1 PRO 29 4.304 10.416 0.502 210 HG2 PRO 29 HG2 PRO 29 3.745 12.942 -0.991 211 HG3 PRO 29 HG1 PRO 29 4.947 11.688 -1.325 212 HD2 PRO 29 HD2 PRO 29 2.493 11.992 -2.683 213 HD3 PRO 29 HD1 PRO 29 3.523 10.542 -2.695 214 H THR 30 HN THR 30 0.490 12.156 -1.009 215 HA THR 30 HA THR 30 0.051 14.190 0.861 216 HB THR 30 HB THR 30 -1.959 14.724 -0.378 217 HG1 THR 30 HG1 THR 30 -1.701 12.073 -1.353 218 HG21 THR 30 HG21 THR 30 -1.052 14.684 -2.665 219 HG22 THR 30 HG22 THR 30 0.118 13.456 -2.187 220 HG23 THR 30 HG23 THR 30 0.215 15.078 -1.503 221 H GLY 31 HN GLY 31 -1.698 11.092 0.622 222 HA2 GLY 31 HA2 GLY 31 -2.982 10.004 2.273 223 HA3 GLY 31 HA1 GLY 31 -2.292 11.126 3.439 224 H GLY 32 HN GLY 32 -3.406 13.334 1.490 225 HA2 GLY 32 HA2 GLY 32 -6.063 13.465 2.829 226 HA3 GLY 32 HA1 GLY 32 -5.234 14.817 2.055 227 H GLY 33 HN GLY 33 -4.597 12.880 -0.214 228 HA2 GLY 33 HA2 GLY 33 -7.069 12.093 -1.438 229 HA3 GLY 33 HA1 GLY 33 -6.557 13.662 -2.068 230 HA PRO 34 HA PRO 34 -2.826 10.874 -3.161 231 HB2 PRO 34 HB2 PRO 34 -2.960 8.235 -2.283 232 HB3 PRO 34 HB1 PRO 34 -2.117 9.524 -1.425 233 HG2 PRO 34 HG2 PRO 34 -4.753 8.259 -0.833 234 HG3 PRO 34 HG1 PRO 34 -3.590 8.999 0.281 235 HD2 PRO 34 HD2 PRO 34 -5.953 10.222 -0.571 236 HD3 PRO 34 HD1 PRO 34 -4.534 11.080 0.066 237 H ARG 35 HN ARG 35 -2.598 8.595 -4.480 238 HA ARG 35 HA ARG 35 -4.465 8.665 -6.612 239 HB2 ARG 35 HB2 ARG 35 -2.113 7.523 -6.463 240 HB3 ARG 35 HB1 ARG 35 -2.997 6.131 -5.845 241 HG2 ARG 35 HG2 ARG 35 -4.417 6.138 -7.858 242 HG3 ARG 35 HG1 ARG 35 -3.514 7.510 -8.496 243 HD2 ARG 35 HD2 ARG 35 -1.438 5.861 -8.004 244 HD3 ARG 35 HD1 ARG 35 -2.681 4.637 -8.255 245 HE ARG 35 HE ARG 35 -1.362 6.063 -10.309 246 HH11 ARG 35 HH21 ARG 35 -4.594 5.342 -9.325 247 HH12 ARG 35 HH22 ARG 35 -5.276 5.701 -10.871 248 HH21 ARG 35 HH11 ARG 35 -2.241 6.506 -12.326 249 HH22 ARG 35 HH12 ARG 35 -3.949 6.348 -12.569 250 H ARG 36 HN ARG 36 -6.574 8.664 -5.569 251 HA ARG 36 HA ARG 36 -7.474 6.645 -3.783 252 HB2 ARG 36 HB2 ARG 36 -9.788 7.262 -4.872 253 HB3 ARG 36 HB1 ARG 36 -8.919 8.486 -3.945 254 HG2 ARG 36 HG2 ARG 36 -8.159 9.600 -5.874 255 HG3 ARG 36 HG1 ARG 36 -8.456 8.204 -6.909 256 HD2 ARG 36 HD2 ARG 36 -10.607 9.854 -5.547 257 HD3 ARG 36 HD1 ARG 36 -10.162 9.972 -7.249 258 HE ARG 36 HE ARG 36 -10.759 7.286 -6.901 259 HH11 ARG 36 HH21 ARG 36 -12.308 10.302 -6.275 260 HH12 ARG 36 HH22 ARG 36 -13.908 9.679 -6.503 261 HH21 ARG 36 HH11 ARG 36 -12.841 6.455 -7.201 262 HH22 ARG 36 HH12 ARG 36 -14.210 7.502 -7.027 263 H GLY 37 HN GLY 37 -6.345 6.267 -6.862 264 HA2 GLY 37 HA2 GLY 37 -8.240 4.342 -7.894 265 HA3 GLY 37 HA1 GLY 37 -6.607 4.608 -8.502 266 H ILE 38 HN ILE 38 -5.500 4.163 -5.696 267 HA ILE 38 HA ILE 38 -5.596 1.189 -5.837 268 HB ILE 38 HB ILE 38 -3.423 2.851 -5.825 269 HG12 ILE 38 HG12 ILE 38 -3.040 0.645 -6.473 270 HG13 ILE 38 HG11 ILE 38 -2.113 0.751 -4.996 271 HG21 ILE 38 HG21 ILE 38 -2.249 2.613 -3.671 272 HG22 ILE 38 HG22 ILE 38 -3.696 1.928 -2.949 273 HG23 ILE 38 HG23 ILE 38 -3.700 3.591 -3.525 274 HD11 ILE 38 HD11 ILE 38 -4.491 -0.104 -3.989 275 HD12 ILE 38 HD12 ILE 38 -3.219 -1.187 -4.518 276 HD13 ILE 38 HD13 ILE 38 -4.561 -0.830 -5.594 277 H VAL 39 HN VAL 39 -5.445 3.708 -3.274 278 HA VAL 39 HA VAL 39 -6.091 1.920 -1.170 279 HB VAL 39 HB VAL 39 -6.873 4.835 -1.146 280 HG11 VAL 39 HG11 VAL 39 -6.253 4.637 1.218 281 HG12 VAL 39 HG12 VAL 39 -5.737 2.971 0.961 282 HG13 VAL 39 HG13 VAL 39 -7.440 3.400 0.802 283 HG21 VAL 39 HG21 VAL 39 -4.124 3.577 -1.146 284 HG22 VAL 39 HG22 VAL 39 -4.414 5.080 -0.267 285 HG23 VAL 39 HG23 VAL 39 -4.694 5.008 -2.005 286 H GLU 40 HN GLU 40 -8.357 4.375 -2.515 287 HA GLU 40 HA GLU 40 -10.639 3.323 -1.236 288 HB2 GLU 40 HB2 GLU 40 -10.470 4.722 -3.916 289 HB3 GLU 40 HB1 GLU 40 -11.953 4.476 -2.997 290 HG2 GLU 40 HG2 GLU 40 -10.912 5.713 -1.084 291 HG3 GLU 40 HG1 GLU 40 -9.525 6.062 -2.115 292 H GLN 41 HN GLN 41 -9.394 2.547 -4.497 293 HA GLN 41 HA GLN 41 -11.388 0.819 -5.377 294 HB2 GLN 41 HB2 GLN 41 -9.232 1.457 -6.572 295 HB3 GLN 41 HB1 GLN 41 -8.445 0.160 -5.671 296 HG2 GLN 41 HG2 GLN 41 -10.104 -1.447 -6.585 297 HG3 GLN 41 HG1 GLN 41 -10.831 -0.144 -7.523 298 HE21 GLN 41 HE21 GLN 41 -10.251 -0.690 -9.627 299 HE22 GLN 41 HE22 GLN 41 -8.655 -0.917 -10.138 300 H CYS 42 HN CYS 42 -8.509 -0.236 -3.516 301 HA CYS 42 HA CYS 42 -9.791 -2.821 -2.981 302 HB2 CYS 42 HB2 CYS 42 -7.172 -1.695 -1.963 303 HB3 CYS 42 HB1 CYS 42 -7.699 -3.375 -1.861 304 H CYS 43 HN CYS 43 -9.334 0.206 -1.259 305 HA CYS 43 HA CYS 43 -10.012 -0.994 1.338 306 HB2 CYS 43 HB2 CYS 43 -8.489 0.990 1.174 307 HB3 CYS 43 HB1 CYS 43 -9.855 1.942 0.584 308 H HIS 44 HN HIS 44 -11.581 1.343 -0.876 309 HA HIS 44 HA HIS 44 -14.078 1.281 0.586 310 HB2 HIS 44 HB2 HIS 44 -13.305 3.135 -0.970 311 HB3 HIS 44 HB1 HIS 44 -13.705 2.066 -2.313 312 HD2 HIS 44 HD2 HIS 44 -15.443 4.847 -0.794 313 HE1 HIS 44 HE1 HIS 44 -18.543 2.010 -1.205 314 HE2 HIS 44 HE2 HIS 44 -18.016 4.462 -0.784 315 H SER 45 HN SER 45 -12.652 -0.653 -1.948 316 HA SER 45 HA SER 45 -15.077 -2.410 -1.905 317 HB2 SER 45 HB2 SER 45 -13.571 -1.900 -4.469 318 HB3 SER 45 HB1 SER 45 -15.180 -2.582 -4.251 319 HG SER 45 HG SER 45 -14.575 -0.091 -4.725 320 H ILE 46 HN ILE 46 -14.578 -4.641 -2.513 321 HA ILE 46 HA ILE 46 -11.921 -5.443 -1.573 322 HB ILE 46 HB ILE 46 -13.961 -7.343 -2.741 323 HG12 ILE 46 HG12 ILE 46 -15.206 -5.759 -1.227 324 HG13 ILE 46 HG11 ILE 46 -15.192 -7.422 -0.658 325 HG21 ILE 46 HG21 ILE 46 -11.963 -7.480 -0.468 326 HG22 ILE 46 HG22 ILE 46 -11.890 -8.329 -2.013 327 HG23 ILE 46 HG23 ILE 46 -13.135 -8.741 -0.837 328 HD11 ILE 46 HD11 ILE 46 -13.242 -5.311 0.296 329 HD12 ILE 46 HD12 ILE 46 -13.446 -6.936 0.947 330 HD13 ILE 46 HD13 ILE 46 -14.723 -5.739 1.143 331 H CYS 47 HN CYS 47 -10.377 -4.965 -3.144 332 HA CYS 47 HA CYS 47 -10.911 -5.702 -5.965 333 HB2 CYS 47 HB2 CYS 47 -8.968 -4.466 -6.513 334 HB3 CYS 47 HB1 CYS 47 -9.697 -3.552 -5.197 335 H SER 48 HN SER 48 -9.579 -7.222 -7.101 336 HA SER 48 HA SER 48 -8.617 -9.424 -5.395 337 HB2 SER 48 HB2 SER 48 -8.109 -10.392 -7.792 338 HB3 SER 48 HB1 SER 48 -9.775 -10.260 -7.247 339 HG SER 48 HG SER 48 -9.907 -8.279 -8.359 340 H LEU 49 HN LEU 49 -6.444 -10.406 -5.966 341 HA LEU 49 HA LEU 49 -4.343 -8.553 -5.569 342 HB2 LEU 49 HB2 LEU 49 -4.069 -11.244 -6.933 343 HB3 LEU 49 HB1 LEU 49 -2.834 -10.387 -6.017 344 HG LEU 49 HG LEU 49 -5.332 -11.735 -4.972 345 HD11 LEU 49 HD11 LEU 49 -3.682 -12.826 -3.469 346 HD12 LEU 49 HD12 LEU 49 -2.389 -11.917 -4.250 347 HD13 LEU 49 HD13 LEU 49 -3.301 -13.117 -5.167 348 HD21 LEU 49 HD21 LEU 49 -4.517 -10.816 -2.718 349 HD22 LEU 49 HD22 LEU 49 -5.345 -9.670 -3.771 350 HD23 LEU 49 HD23 LEU 49 -3.586 -9.656 -3.662 351 H TYR 50 HN TYR 50 -5.792 -9.856 -8.459 352 HA TYR 50 HA TYR 50 -4.059 -9.237 -10.488 353 HB2 TYR 50 HB2 TYR 50 -6.539 -10.105 -10.434 354 HB3 TYR 50 HB1 TYR 50 -6.954 -8.409 -10.680 355 HD1 TYR 50 HD2 TYR 50 -5.126 -11.279 -12.003 356 HD2 TYR 50 HD1 TYR 50 -6.560 -7.331 -12.764 357 HE1 TYR 50 HE2 TYR 50 -4.592 -11.570 -14.421 358 HE2 TYR 50 HE1 TYR 50 -6.036 -7.590 -15.184 359 HH TYR 50 HH TYR 50 -4.506 -10.574 -16.413 360 H GLN 51 HN GLN 51 -6.493 -7.009 -9.191 361 HA GLN 51 HA GLN 51 -5.574 -4.705 -10.606 362 HB2 GLN 51 HB2 GLN 51 -6.824 -4.578 -7.854 363 HB3 GLN 51 HB1 GLN 51 -6.988 -3.448 -9.195 364 HG2 GLN 51 HG2 GLN 51 -8.063 -5.359 -10.513 365 HG3 GLN 51 HG1 GLN 51 -8.163 -6.221 -8.981 366 HE21 GLN 51 HE21 GLN 51 -8.831 -2.856 -10.078 367 HE22 GLN 51 HE22 GLN 51 -10.343 -2.750 -9.316 368 H LEU 52 HN LEU 52 -4.739 -5.972 -7.394 369 HA LEU 52 HA LEU 52 -2.993 -3.832 -6.695 370 HB2 LEU 52 HB2 LEU 52 -2.913 -6.743 -5.896 371 HB3 LEU 52 HB1 LEU 52 -1.973 -5.470 -5.125 372 HG LEU 52 HG LEU 52 -5.002 -5.602 -5.259 373 HD11 LEU 52 HD11 LEU 52 -4.863 -6.009 -2.882 374 HD12 LEU 52 HD12 LEU 52 -3.109 -5.827 -2.910 375 HD13 LEU 52 HD13 LEU 52 -3.871 -7.198 -3.723 376 HD21 LEU 52 HD21 LEU 52 -3.069 -3.487 -4.407 377 HD22 LEU 52 HD22 LEU 52 -4.515 -3.695 -3.418 378 HD23 LEU 52 HD23 LEU 52 -4.660 -3.311 -5.131 379 H GLU 53 HN GLU 53 -2.656 -6.672 -8.656 380 HA GLU 53 HA GLU 53 0.204 -6.535 -8.934 381 HB2 GLU 53 HB2 GLU 53 -1.844 -8.315 -9.678 382 HB3 GLU 53 HB1 GLU 53 -1.225 -7.735 -11.221 383 HG2 GLU 53 HG2 GLU 53 1.137 -8.267 -10.072 384 HG3 GLU 53 HG1 GLU 53 0.153 -9.350 -9.089 385 H ASN 54 HN ASN 54 -2.292 -4.596 -9.967 386 HA ASN 54 HA ASN 54 -1.249 -3.775 -12.547 387 HB2 ASN 54 HB2 ASN 54 -3.674 -3.583 -11.580 388 HB3 ASN 54 HB1 ASN 54 -3.088 -2.102 -10.823 389 HD21 ASN 54 HD21 ASN 54 -5.096 -2.333 -12.997 390 HD22 ASN 54 HD22 ASN 54 -4.472 -1.463 -14.311 391 H TYR 55 HN TYR 55 -0.768 -2.804 -9.217 392 HA TYR 55 HA TYR 55 0.830 -0.432 -10.083 393 HB2 TYR 55 HB2 TYR 55 0.144 -1.221 -7.250 394 HB3 TYR 55 HB1 TYR 55 0.591 0.367 -7.863 395 HD1 TYR 55 HD2 TYR 55 -2.039 -2.193 -7.809 396 HD2 TYR 55 HD1 TYR 55 -1.010 1.796 -8.930 397 HE1 TYR 55 HE2 TYR 55 -4.448 -1.710 -8.239 398 HE2 TYR 55 HE1 TYR 55 -3.401 2.301 -9.369 399 HH TYR 55 HH TYR 55 -5.905 -0.211 -8.991 400 H CYS 56 HN CYS 56 1.426 -3.618 -9.714 401 HA CYS 56 HA CYS 56 3.784 -3.456 -7.980 402 HB2 CYS 56 HB2 CYS 56 2.702 -5.626 -9.792 403 HB3 CYS 56 HB1 CYS 56 4.187 -5.798 -8.865 404 H ASN 57 HN ASN 57 5.499 -2.305 -8.761 405 HA ASN 57 HA ASN 57 7.109 -1.500 -10.275 406 HB2 ASN 57 HB2 ASN 57 7.876 -3.823 -10.063 407 HB3 ASN 57 HB1 ASN 57 6.750 -4.324 -11.325 408 HD21 ASN 57 HD21 ASN 57 9.372 -4.883 -11.881 409 HD22 ASN 57 HD22 ASN 57 10.004 -3.795 -13.021 Start of MODEL 15 1 H1 PHE 1 HT1 PHE 1 -5.244 -13.413 2.456 2 H2 PHE 1 HT2 PHE 1 -6.759 -12.683 2.696 3 H3 PHE 1 HT3 PHE 1 -5.366 -12.008 3.398 4 HA PHE 1 HA PHE 1 -5.746 -10.645 1.592 5 HB2 PHE 1 HB2 PHE 1 -3.446 -11.802 1.760 6 HB3 PHE 1 HB1 PHE 1 -3.947 -12.765 0.382 7 HD1 PHE 1 HD2 PHE 1 -5.562 -9.868 -0.441 8 HD2 PHE 1 HD1 PHE 1 -1.566 -11.290 0.155 9 HE1 PHE 1 HE2 PHE 1 -4.718 -8.119 -1.903 10 HE2 PHE 1 HE1 PHE 1 -0.719 -9.519 -1.320 11 HZ PHE 1 HZ PHE 1 -2.285 -7.923 -2.355 12 H VAL 2 HN VAL 2 -7.848 -12.713 1.565 13 HA VAL 2 HA VAL 2 -8.078 -13.379 -1.338 14 HB VAL 2 HB VAL 2 -10.109 -14.730 -0.302 15 HG11 VAL 2 HG11 VAL 2 -7.189 -15.434 0.082 16 HG12 VAL 2 HG12 VAL 2 -8.204 -15.831 -1.305 17 HG13 VAL 2 HG13 VAL 2 -8.510 -16.589 0.259 18 HG21 VAL 2 HG21 VAL 2 -9.950 -15.229 2.004 19 HG22 VAL 2 HG22 VAL 2 -9.648 -13.493 1.951 20 HG23 VAL 2 HG23 VAL 2 -8.301 -14.616 2.117 21 H ASN 3 HN ASN 3 -10.846 -13.097 0.761 22 HA ASN 3 HA ASN 3 -11.940 -10.973 -1.015 23 HB2 ASN 3 HB2 ASN 3 -13.436 -12.648 1.012 24 HB3 ASN 3 HB1 ASN 3 -14.118 -11.688 -0.298 25 HD21 ASN 3 HD21 ASN 3 -14.544 -12.818 -2.186 26 HD22 ASN 3 HD22 ASN 3 -13.853 -14.309 -2.611 27 H GLN 4 HN GLN 4 -10.057 -10.543 1.291 28 HA GLN 4 HA GLN 4 -11.785 -9.048 3.192 29 HB2 GLN 4 HB2 GLN 4 -9.322 -8.665 4.197 30 HB3 GLN 4 HB1 GLN 4 -10.225 -10.147 4.484 31 HG2 GLN 4 HG2 GLN 4 -9.077 -11.249 2.616 32 HG3 GLN 4 HG1 GLN 4 -8.204 -9.758 2.257 33 HE21 GLN 4 HE21 GLN 4 -7.921 -12.683 3.870 34 HE22 GLN 4 HE22 GLN 4 -6.703 -12.262 4.972 35 H HIS 5 HN HIS 5 -11.197 -6.831 3.744 36 HA HIS 5 HA HIS 5 -10.536 -5.271 1.319 37 HB2 HIS 5 HB2 HIS 5 -11.244 -3.348 2.915 38 HB3 HIS 5 HB1 HIS 5 -12.488 -4.472 2.379 39 HD2 HIS 5 HD2 HIS 5 -13.943 -4.208 4.827 40 HE1 HIS 5 HE1 HIS 5 -10.969 -5.960 7.262 41 HE2 HIS 5 HE2 HIS 5 -13.379 -5.153 7.183 42 H LEU 6 HN LEU 6 -8.651 -4.186 1.071 43 HA LEU 6 HA LEU 6 -6.634 -4.277 3.259 44 HB2 LEU 6 HB2 LEU 6 -6.565 -3.906 0.283 45 HB3 LEU 6 HB1 LEU 6 -5.289 -3.172 1.217 46 HG LEU 6 HG LEU 6 -4.374 -5.207 1.865 47 HD11 LEU 6 HD11 LEU 6 -5.804 -7.396 1.518 48 HD12 LEU 6 HD12 LEU 6 -7.156 -6.279 1.651 49 HD13 LEU 6 HD13 LEU 6 -5.996 -6.423 2.970 50 HD21 LEU 6 HD21 LEU 6 -4.485 -6.731 -0.112 51 HD22 LEU 6 HD22 LEU 6 -4.128 -5.071 -0.538 52 HD23 LEU 6 HD23 LEU 6 -5.746 -5.730 -0.788 53 H CYS 7 HN CYS 7 -6.092 -2.431 4.366 54 HA CYS 7 HA CYS 7 -6.673 0.206 3.170 55 HB2 CYS 7 HB2 CYS 7 -8.628 -0.870 4.706 56 HB3 CYS 7 HB1 CYS 7 -7.670 -0.102 5.969 57 H GLY 8 HN GLY 8 -4.962 1.481 3.573 58 HA2 GLY 8 HA2 GLY 8 -3.125 2.430 4.704 59 HA3 GLY 8 HA1 GLY 8 -3.666 1.602 6.163 60 H SER 9 HN SER 9 -1.591 0.850 6.738 61 HA SER 9 HA SER 9 0.388 -0.301 5.170 62 HB2 SER 9 HB2 SER 9 -0.553 -1.095 7.935 63 HB3 SER 9 HB1 SER 9 0.909 -1.740 7.195 64 HG SER 9 HG SER 9 1.825 0.023 7.859 65 H ASP 10 HN ASP 10 -2.674 -1.783 6.142 66 HA ASP 10 HA ASP 10 -2.175 -4.483 5.599 67 HB2 ASP 10 HB2 ASP 10 -4.575 -2.710 5.233 68 HB3 ASP 10 HB1 ASP 10 -4.651 -4.367 4.646 69 H LEU 11 HN LEU 11 -3.160 -1.970 3.256 70 HA LEU 11 HA LEU 11 -3.059 -3.580 0.946 71 HB2 LEU 11 HB2 LEU 11 -3.980 -1.326 0.828 72 HB3 LEU 11 HB1 LEU 11 -2.436 -0.630 1.299 73 HG LEU 11 HG LEU 11 -1.415 -1.326 -0.783 74 HD11 LEU 11 HD11 LEU 11 -2.900 -2.421 -2.513 75 HD12 LEU 11 HD12 LEU 11 -4.007 -2.798 -1.200 76 HD13 LEU 11 HD13 LEU 11 -2.370 -3.454 -1.199 77 HD21 LEU 11 HD21 LEU 11 -4.169 -0.221 -1.392 78 HD22 LEU 11 HD22 LEU 11 -2.730 -0.066 -2.398 79 HD23 LEU 11 HD23 LEU 11 -2.805 0.750 -0.837 80 H VAL 12 HN VAL 12 -0.466 -1.542 2.331 81 HA VAL 12 HA VAL 12 1.576 -2.100 0.512 82 HB VAL 12 HB VAL 12 1.987 -2.022 3.512 83 HG11 VAL 12 HG11 VAL 12 3.896 -2.550 1.827 84 HG12 VAL 12 HG12 VAL 12 4.170 -1.277 3.012 85 HG13 VAL 12 HG13 VAL 12 3.748 -0.857 1.354 86 HG21 VAL 12 HG21 VAL 12 2.129 0.438 3.239 87 HG22 VAL 12 HG22 VAL 12 0.523 -0.161 2.830 88 HG23 VAL 12 HG23 VAL 12 1.656 0.268 1.551 89 H GLU 13 HN GLU 13 1.258 -3.866 3.618 90 HA GLU 13 HA GLU 13 3.021 -5.953 3.065 91 HB2 GLU 13 HB2 GLU 13 0.353 -6.256 4.476 92 HB3 GLU 13 HB1 GLU 13 1.762 -7.301 4.662 93 HG2 GLU 13 HG2 GLU 13 3.061 -5.396 5.546 94 HG3 GLU 13 HG1 GLU 13 1.650 -4.352 5.367 95 H ALA 14 HN ALA 14 -0.158 -5.404 1.731 96 HA ALA 14 HA ALA 14 -0.365 -8.113 0.630 97 HB1 ALA 14 HB1 ALA 14 -2.118 -5.850 0.983 98 HB2 ALA 14 HB2 ALA 14 -2.536 -7.510 0.584 99 HB3 ALA 14 HB3 ALA 14 -2.182 -6.354 -0.703 100 H LEU 15 HN LEU 15 0.079 -4.836 -0.841 101 HA LEU 15 HA LEU 15 0.547 -5.746 -3.453 102 HB2 LEU 15 HB2 LEU 15 1.749 -3.420 -1.953 103 HB3 LEU 15 HB1 LEU 15 2.144 -3.736 -3.639 104 HG LEU 15 HG LEU 15 -0.759 -3.584 -2.824 105 HD11 LEU 15 HD11 LEU 15 0.529 -1.513 -1.976 106 HD12 LEU 15 HD12 LEU 15 -0.820 -1.213 -3.066 107 HD13 LEU 15 HD13 LEU 15 0.832 -1.150 -3.672 108 HD21 LEU 15 HD21 LEU 15 -0.031 -4.310 -5.128 109 HD22 LEU 15 HD22 LEU 15 0.694 -2.722 -5.341 110 HD23 LEU 15 HD23 LEU 15 -1.047 -2.872 -5.124 111 H TYR 16 HN TYR 16 2.682 -5.746 -0.647 112 HA TYR 16 HA TYR 16 5.152 -6.265 -1.854 113 HB2 TYR 16 HB2 TYR 16 4.942 -5.961 0.544 114 HB3 TYR 16 HB1 TYR 16 4.027 -7.459 0.685 115 HD1 TYR 16 HD2 TYR 16 7.257 -6.278 -0.848 116 HD2 TYR 16 HD1 TYR 16 5.228 -9.329 1.381 117 HE1 TYR 16 HE2 TYR 16 9.378 -7.546 -0.656 118 HE2 TYR 16 HE1 TYR 16 7.348 -10.603 1.577 119 HH TYR 16 HH TYR 16 9.749 -10.193 1.478 120 H LEU 17 HN LEU 17 2.678 -8.749 -0.995 121 HA LEU 17 HA LEU 17 4.212 -10.901 -2.167 122 HB2 LEU 17 HB2 LEU 17 1.204 -10.722 -1.812 123 HB3 LEU 17 HB1 LEU 17 2.118 -12.178 -2.139 124 HG LEU 17 HG LEU 17 3.395 -11.744 0.015 125 HD11 LEU 17 HD11 LEU 17 3.026 -9.548 0.658 126 HD12 LEU 17 HD12 LEU 17 1.801 -10.347 1.630 127 HD13 LEU 17 HD13 LEU 17 1.352 -9.546 0.129 128 HD21 LEU 17 HD21 LEU 17 1.814 -13.497 0.090 129 HD22 LEU 17 HD22 LEU 17 0.448 -12.403 -0.112 130 HD23 LEU 17 HD23 LEU 17 1.312 -12.458 1.423 131 H VAL 18 HN VAL 18 1.421 -9.017 -3.313 132 HA VAL 18 HA VAL 18 1.102 -10.124 -5.860 133 HB VAL 18 HB VAL 18 0.926 -7.180 -5.176 134 HG11 VAL 18 HG11 VAL 18 0.778 -7.844 -7.594 135 HG12 VAL 18 HG12 VAL 18 -0.642 -7.027 -6.960 136 HG13 VAL 18 HG13 VAL 18 -0.659 -8.773 -7.179 137 HG21 VAL 18 HG21 VAL 18 -0.346 -8.575 -3.574 138 HG22 VAL 18 HG22 VAL 18 -1.172 -9.349 -4.925 139 HG23 VAL 18 HG23 VAL 18 -1.418 -7.634 -4.607 140 H CYS 19 HN CYS 19 3.045 -7.227 -5.122 141 HA CYS 19 HA CYS 19 4.335 -7.279 -7.720 142 HB2 CYS 19 HB2 CYS 19 5.345 -5.770 -5.314 143 HB3 CYS 19 HB1 CYS 19 5.418 -5.315 -7.012 144 H GLY 20 HN GLY 20 4.981 -8.650 -4.614 145 HA2 GLY 20 HA2 GLY 20 6.758 -9.966 -3.830 146 HA3 GLY 20 HA1 GLY 20 6.952 -10.441 -5.515 147 H GLU 21 HN GLU 21 9.089 -10.226 -5.984 148 HA GLU 21 HA GLU 21 10.758 -8.212 -4.704 149 HB2 GLU 21 HB2 GLU 21 11.256 -10.155 -6.972 150 HB3 GLU 21 HB1 GLU 21 12.492 -9.074 -6.329 151 HG2 GLU 21 HG2 GLU 21 12.045 -10.056 -4.048 152 HG3 GLU 21 HG1 GLU 21 11.005 -11.246 -4.832 153 H ARG 22 HN ARG 22 8.716 -8.227 -7.450 154 HA ARG 22 HA ARG 22 10.079 -6.540 -9.247 155 HB2 ARG 22 HB2 ARG 22 7.122 -6.409 -8.586 156 HB3 ARG 22 HB1 ARG 22 7.890 -5.894 -10.086 157 HG2 ARG 22 HG2 ARG 22 8.459 -8.149 -10.674 158 HG3 ARG 22 HG1 ARG 22 8.068 -8.741 -9.069 159 HD2 ARG 22 HD2 ARG 22 5.883 -9.026 -9.626 160 HD3 ARG 22 HD1 ARG 22 5.751 -7.379 -10.214 161 HE ARG 22 HE ARG 22 5.861 -9.733 -11.820 162 HH11 ARG 22 HH21 ARG 22 7.387 -6.643 -11.619 163 HH12 ARG 22 HH22 ARG 22 7.849 -6.625 -13.287 164 HH21 ARG 22 HH11 ARG 22 6.453 -9.716 -13.986 165 HH22 ARG 22 HH12 ARG 22 7.321 -8.360 -14.624 166 H GLY 23 HN GLY 23 8.572 -5.819 -6.167 167 HA2 GLY 23 HA2 GLY 23 8.806 -3.871 -4.861 168 HA3 GLY 23 HA1 GLY 23 9.836 -3.192 -6.126 169 H PHE 24 HN PHE 24 7.677 -1.765 -4.791 170 HA PHE 24 HA PHE 24 6.205 -0.934 -7.190 171 HB2 PHE 24 HB2 PHE 24 4.003 -1.296 -6.250 172 HB3 PHE 24 HB1 PHE 24 4.880 -2.823 -6.238 173 HD1 PHE 24 HD1 PHE 24 5.730 -3.785 -4.150 174 HD2 PHE 24 HD2 PHE 24 3.524 -0.095 -4.161 175 HE1 PHE 24 HE1 PHE 24 5.415 -3.961 -1.698 176 HE2 PHE 24 HE2 PHE 24 3.203 -0.288 -1.708 177 HZ PHE 24 HZ PHE 24 4.149 -2.216 -0.483 178 H PHE 25 HN PHE 25 4.661 0.882 -6.554 179 HA PHE 25 HA PHE 25 5.933 2.601 -4.454 180 HB2 PHE 25 HB2 PHE 25 5.084 4.511 -5.854 181 HB3 PHE 25 HB1 PHE 25 6.295 3.526 -6.676 182 HD1 PHE 25 HD1 PHE 25 2.659 4.259 -6.427 183 HD2 PHE 25 HD2 PHE 25 5.738 2.191 -8.600 184 HE1 PHE 25 HE1 PHE 25 1.042 3.778 -8.253 185 HE2 PHE 25 HE2 PHE 25 4.127 1.717 -10.425 186 HZ PHE 25 HZ PHE 25 1.784 2.509 -10.252 187 H TYR 26 HN TYR 26 4.588 3.333 -2.853 188 HA TYR 26 HA TYR 26 1.840 2.383 -2.798 189 HB2 TYR 26 HB2 TYR 26 3.428 2.865 -0.766 190 HB3 TYR 26 HB1 TYR 26 2.901 4.538 -0.957 191 HD1 TYR 26 HD1 TYR 26 1.472 1.069 -0.829 192 HD2 TYR 26 HD2 TYR 26 0.936 5.216 0.164 193 HE1 TYR 26 HE1 TYR 26 -0.641 0.534 0.349 194 HE2 TYR 26 HE2 TYR 26 -1.168 4.665 1.346 195 HH TYR 26 HH TYR 26 -2.924 2.273 0.941 196 H THR 27 HN THR 27 0.051 4.161 -2.335 197 HA THR 27 HA THR 27 -0.059 5.790 -4.681 198 HB THR 27 HB THR 27 -2.090 5.037 -3.528 199 HG1 THR 27 HG1 THR 27 -3.117 7.083 -3.554 200 HG21 THR 27 HG21 THR 27 -1.212 6.945 -1.337 201 HG22 THR 27 HG22 THR 27 -1.310 5.193 -1.218 202 HG23 THR 27 HG23 THR 27 -2.777 6.137 -1.417 203 H ASP 28 HN ASP 28 -0.503 8.289 -4.415 204 HA ASP 28 HA ASP 28 1.848 9.573 -3.913 205 HB2 ASP 28 HB2 ASP 28 -0.812 10.368 -4.459 206 HB3 ASP 28 HB1 ASP 28 -0.305 11.364 -3.099 207 HA PRO 29 HA PRO 29 2.346 9.594 0.542 208 HB2 PRO 29 HB2 PRO 29 4.092 11.724 0.805 209 HB3 PRO 29 HB1 PRO 29 4.581 10.127 0.219 210 HG2 PRO 29 HG2 PRO 29 4.147 12.647 -1.325 211 HG3 PRO 29 HG1 PRO 29 5.232 11.294 -1.674 212 HD2 PRO 29 HD2 PRO 29 2.750 11.750 -2.931 213 HD3 PRO 29 HD1 PRO 29 3.661 10.223 -2.939 214 H THR 30 HN THR 30 0.849 12.133 -1.162 215 HA THR 30 HA THR 30 0.652 14.224 0.692 216 HB THR 30 HB THR 30 -1.358 14.898 -0.483 217 HG1 THR 30 HG1 THR 30 -2.262 12.727 -0.439 218 HG21 THR 30 HG21 THR 30 -0.511 14.808 -2.779 219 HG22 THR 30 HG22 THR 30 0.542 13.459 -2.355 220 HG23 THR 30 HG23 THR 30 0.828 15.053 -1.658 221 H GLY 31 HN GLY 31 -1.338 11.274 0.560 222 HA2 GLY 31 HA2 GLY 31 -2.640 10.305 2.265 223 HA3 GLY 31 HA1 GLY 31 -1.833 11.387 3.394 224 H GLY 32 HN GLY 32 -2.842 13.643 1.441 225 HA2 GLY 32 HA2 GLY 32 -5.444 13.987 2.853 226 HA3 GLY 32 HA1 GLY 32 -4.539 15.266 2.040 227 H GLY 33 HN GLY 33 -4.138 13.131 -0.165 228 HA2 GLY 33 HA2 GLY 33 -6.682 12.572 -1.337 229 HA3 GLY 33 HA1 GLY 33 -6.046 14.072 -2.020 230 HA PRO 34 HA PRO 34 -2.611 10.938 -3.094 231 HB2 PRO 34 HB2 PRO 34 -2.907 8.353 -2.125 232 HB3 PRO 34 HB1 PRO 34 -1.993 9.614 -1.298 233 HG2 PRO 34 HG2 PRO 34 -4.716 8.545 -0.699 234 HG3 PRO 34 HG1 PRO 34 -3.503 9.206 0.412 235 HD2 PRO 34 HD2 PRO 34 -5.756 10.602 -0.466 236 HD3 PRO 34 HD1 PRO 34 -4.273 11.355 0.159 237 H ARG 35 HN ARG 35 -2.591 8.625 -4.365 238 HA ARG 35 HA ARG 35 -4.561 8.760 -6.414 239 HB2 ARG 35 HB2 ARG 35 -2.256 7.486 -6.336 240 HB3 ARG 35 HB1 ARG 35 -3.203 6.156 -5.676 241 HG2 ARG 35 HG2 ARG 35 -4.668 6.187 -7.632 242 HG3 ARG 35 HG1 ARG 35 -3.789 7.559 -8.301 243 HD2 ARG 35 HD2 ARG 35 -1.692 5.981 -8.031 244 HD3 ARG 35 HD1 ARG 35 -2.893 4.693 -8.012 245 HE ARG 35 HE ARG 35 -1.934 6.054 -10.327 246 HH11 ARG 35 HH21 ARG 35 -4.917 5.072 -8.892 247 HH12 ARG 35 HH22 ARG 35 -5.819 5.240 -10.357 248 HH21 ARG 35 HH11 ARG 35 -3.093 6.250 -12.237 249 HH22 ARG 35 HH12 ARG 35 -4.788 5.896 -12.250 250 H ARG 36 HN ARG 36 -6.583 8.913 -5.255 251 HA ARG 36 HA ARG 36 -7.478 6.984 -3.358 252 HB2 ARG 36 HB2 ARG 36 -9.815 7.798 -4.256 253 HB3 ARG 36 HB1 ARG 36 -8.770 8.940 -3.409 254 HG2 ARG 36 HG2 ARG 36 -8.065 9.978 -5.403 255 HG3 ARG 36 HG1 ARG 36 -8.591 8.623 -6.400 256 HD2 ARG 36 HD2 ARG 36 -10.406 10.529 -4.891 257 HD3 ARG 36 HD1 ARG 36 -10.155 10.502 -6.636 258 HE ARG 36 HE ARG 36 -10.996 7.926 -6.041 259 HH11 ARG 36 HH21 ARG 36 -12.123 11.133 -5.462 260 HH12 ARG 36 HH22 ARG 36 -13.797 10.688 -5.466 261 HH21 ARG 36 HH11 ARG 36 -13.177 7.326 -6.047 262 HH22 ARG 36 HH12 ARG 36 -14.394 8.533 -5.797 263 H GLY 37 HN GLY 37 -6.516 6.320 -6.367 264 HA2 GLY 37 HA2 GLY 37 -8.720 4.592 -7.222 265 HA3 GLY 37 HA1 GLY 37 -7.182 4.791 -8.050 266 H ILE 38 HN ILE 38 -5.791 4.233 -5.329 267 HA ILE 38 HA ILE 38 -5.923 1.270 -5.634 268 HB ILE 38 HB ILE 38 -3.755 2.903 -5.662 269 HG12 ILE 38 HG12 ILE 38 -3.421 0.701 -6.359 270 HG13 ILE 38 HG11 ILE 38 -2.399 0.803 -4.948 271 HG21 ILE 38 HG21 ILE 38 -3.862 1.919 -2.795 272 HG22 ILE 38 HG22 ILE 38 -3.945 3.597 -3.325 273 HG23 ILE 38 HG23 ILE 38 -2.478 2.666 -3.583 274 HD11 ILE 38 HD11 ILE 38 -3.461 -1.174 -4.476 275 HD12 ILE 38 HD12 ILE 38 -4.917 -0.750 -5.362 276 HD13 ILE 38 HD13 ILE 38 -4.636 -0.091 -3.753 277 H VAL 39 HN VAL 39 -5.670 3.645 -2.964 278 HA VAL 39 HA VAL 39 -6.129 1.770 -0.898 279 HB VAL 39 HB VAL 39 -7.034 4.644 -0.736 280 HG11 VAL 39 HG11 VAL 39 -6.379 4.421 1.575 281 HG12 VAL 39 HG12 VAL 39 -5.619 2.861 1.264 282 HG13 VAL 39 HG13 VAL 39 -7.373 3.021 1.172 283 HG21 VAL 39 HG21 VAL 39 -4.924 4.955 -1.720 284 HG22 VAL 39 HG22 VAL 39 -4.240 3.518 -0.958 285 HG23 VAL 39 HG23 VAL 39 -4.536 4.970 -0.002 286 H GLU 40 HN GLU 40 -8.538 4.166 -2.040 287 HA GLU 40 HA GLU 40 -10.694 2.982 -0.662 288 HB2 GLU 40 HB2 GLU 40 -12.041 4.531 -1.746 289 HB3 GLU 40 HB1 GLU 40 -10.456 5.272 -1.927 290 HG2 GLU 40 HG2 GLU 40 -11.287 5.405 -4.105 291 HG3 GLU 40 HG1 GLU 40 -10.363 3.907 -4.153 292 H GLN 41 HN GLN 41 -9.484 2.269 -3.928 293 HA GLN 41 HA GLN 41 -11.620 0.653 -4.811 294 HB2 GLN 41 HB2 GLN 41 -9.588 1.352 -6.155 295 HB3 GLN 41 HB1 GLN 41 -8.690 0.067 -5.343 296 HG2 GLN 41 HG2 GLN 41 -10.449 -1.554 -6.144 297 HG3 GLN 41 HG1 GLN 41 -11.143 -0.244 -7.097 298 HE21 GLN 41 HE21 GLN 41 -10.607 -0.941 -9.183 299 HE22 GLN 41 HE22 GLN 41 -9.018 -1.179 -9.708 300 H CYS 42 HN CYS 42 -8.658 -0.387 -3.102 301 HA CYS 42 HA CYS 42 -9.854 -3.028 -2.620 302 HB2 CYS 42 HB2 CYS 42 -7.226 -1.883 -1.646 303 HB3 CYS 42 HB1 CYS 42 -7.718 -3.576 -1.619 304 H CYS 43 HN CYS 43 -9.419 -0.019 -0.828 305 HA CYS 43 HA CYS 43 -10.011 -1.325 1.747 306 HB2 CYS 43 HB2 CYS 43 -8.527 0.658 1.719 307 HB3 CYS 43 HB1 CYS 43 -9.844 1.629 1.058 308 H HIS 44 HN HIS 44 -11.667 1.068 -0.344 309 HA HIS 44 HA HIS 44 -14.120 0.900 1.181 310 HB2 HIS 44 HB2 HIS 44 -13.326 2.798 -0.410 311 HB3 HIS 44 HB1 HIS 44 -13.964 1.788 -1.705 312 HD2 HIS 44 HD2 HIS 44 -16.828 1.448 -1.646 313 HE1 HIS 44 HE1 HIS 44 -17.496 4.415 1.286 314 HE2 HIS 44 HE2 HIS 44 -18.607 2.898 -0.425 315 H SER 45 HN SER 45 -12.734 -0.908 -1.467 316 HA SER 45 HA SER 45 -15.128 -2.705 -1.418 317 HB2 SER 45 HB2 SER 45 -13.715 -2.008 -3.995 318 HB3 SER 45 HB1 SER 45 -15.250 -2.842 -3.784 319 HG SER 45 HG SER 45 -16.160 -0.960 -3.794 320 H ILE 46 HN ILE 46 -14.624 -4.880 -2.214 321 HA ILE 46 HA ILE 46 -11.962 -5.735 -1.338 322 HB ILE 46 HB ILE 46 -14.032 -7.547 -2.588 323 HG12 ILE 46 HG12 ILE 46 -15.253 -6.061 -0.983 324 HG13 ILE 46 HG11 ILE 46 -15.209 -7.741 -0.467 325 HG21 ILE 46 HG21 ILE 46 -12.012 -7.840 -0.349 326 HG22 ILE 46 HG22 ILE 46 -11.955 -8.592 -1.945 327 HG23 ILE 46 HG23 ILE 46 -13.199 -9.065 -0.790 328 HD11 ILE 46 HD11 ILE 46 -13.381 -7.266 1.085 329 HD12 ILE 46 HD12 ILE 46 -14.718 -6.164 1.395 330 HD13 ILE 46 HD13 ILE 46 -13.302 -5.600 0.517 331 H CYS 47 HN CYS 47 -10.423 -5.183 -2.892 332 HA CYS 47 HA CYS 47 -10.985 -5.785 -5.744 333 HB2 CYS 47 HB2 CYS 47 -9.100 -4.465 -6.265 334 HB3 CYS 47 HB1 CYS 47 -9.812 -3.642 -4.881 335 H SER 48 HN SER 48 -9.746 -7.281 -6.945 336 HA SER 48 HA SER 48 -8.632 -9.488 -5.359 337 HB2 SER 48 HB2 SER 48 -8.406 -9.468 -8.343 338 HB3 SER 48 HB1 SER 48 -8.875 -10.777 -7.263 339 HG SER 48 HG SER 48 -10.769 -9.207 -6.882 340 H LEU 49 HN LEU 49 -6.463 -10.405 -6.100 341 HA LEU 49 HA LEU 49 -4.392 -8.513 -5.697 342 HB2 LEU 49 HB2 LEU 49 -4.097 -11.151 -7.152 343 HB3 LEU 49 HB1 LEU 49 -2.860 -10.296 -6.237 344 HG LEU 49 HG LEU 49 -5.307 -11.724 -5.175 345 HD11 LEU 49 HD11 LEU 49 -3.280 -13.082 -5.471 346 HD12 LEU 49 HD12 LEU 49 -3.591 -12.835 -3.752 347 HD13 LEU 49 HD13 LEU 49 -2.338 -11.897 -4.565 348 HD21 LEU 49 HD21 LEU 49 -3.552 -9.662 -3.851 349 HD22 LEU 49 HD22 LEU 49 -4.429 -10.871 -2.915 350 HD23 LEU 49 HD23 LEU 49 -5.313 -9.707 -3.900 351 H TYR 50 HN TYR 50 -5.903 -9.766 -8.579 352 HA TYR 50 HA TYR 50 -4.251 -9.062 -10.641 353 HB2 TYR 50 HB2 TYR 50 -6.707 -9.977 -10.539 354 HB3 TYR 50 HB1 TYR 50 -7.164 -8.281 -10.714 355 HD1 TYR 50 HD2 TYR 50 -5.283 -11.051 -12.183 356 HD2 TYR 50 HD1 TYR 50 -6.892 -7.144 -12.777 357 HE1 TYR 50 HE2 TYR 50 -4.817 -11.249 -14.624 358 HE2 TYR 50 HE1 TYR 50 -6.438 -7.308 -15.220 359 HH TYR 50 HH TYR 50 -5.789 -8.666 -16.881 360 H GLN 51 HN GLN 51 -6.665 -6.899 -9.202 361 HA GLN 51 HA GLN 51 -5.797 -4.560 -10.602 362 HB2 GLN 51 HB2 GLN 51 -7.027 -4.506 -7.836 363 HB3 GLN 51 HB1 GLN 51 -7.198 -3.337 -9.142 364 HG2 GLN 51 HG2 GLN 51 -8.233 -5.308 -10.501 365 HG3 GLN 51 HG1 GLN 51 -8.433 -6.079 -8.932 366 HE21 GLN 51 HE21 GLN 51 -9.316 -3.159 -10.789 367 HE22 GLN 51 HE22 GLN 51 -10.706 -2.802 -9.883 368 H LEU 52 HN LEU 52 -4.890 -5.893 -7.435 369 HA LEU 52 HA LEU 52 -3.170 -3.744 -6.705 370 HB2 LEU 52 HB2 LEU 52 -3.014 -6.676 -6.006 371 HB3 LEU 52 HB1 LEU 52 -2.075 -5.413 -5.220 372 HG LEU 52 HG LEU 52 -5.104 -5.593 -5.270 373 HD11 LEU 52 HD11 LEU 52 -3.895 -7.217 -3.818 374 HD12 LEU 52 HD12 LEU 52 -4.890 -6.076 -2.913 375 HD13 LEU 52 HD13 LEU 52 -3.141 -5.858 -2.982 376 HD21 LEU 52 HD21 LEU 52 -3.183 -3.474 -4.402 377 HD22 LEU 52 HD22 LEU 52 -4.601 -3.739 -3.385 378 HD23 LEU 52 HD23 LEU 52 -4.796 -3.302 -5.080 379 H GLU 53 HN GLU 53 -2.817 -6.510 -8.774 380 HA GLU 53 HA GLU 53 0.035 -6.290 -9.106 381 HB2 GLU 53 HB2 GLU 53 -1.972 -8.110 -9.853 382 HB3 GLU 53 HB1 GLU 53 -1.423 -7.459 -11.394 383 HG2 GLU 53 HG2 GLU 53 0.993 -7.952 -10.318 384 HG3 GLU 53 HG1 GLU 53 0.065 -9.116 -9.374 385 H ASN 54 HN ASN 54 -2.538 -4.396 -10.043 386 HA ASN 54 HA ASN 54 -1.552 -3.484 -12.614 387 HB2 ASN 54 HB2 ASN 54 -3.970 -3.378 -11.601 388 HB3 ASN 54 HB1 ASN 54 -3.409 -1.891 -10.837 389 HD21 ASN 54 HD21 ASN 54 -5.447 -2.142 -12.980 390 HD22 ASN 54 HD22 ASN 54 -4.864 -1.244 -14.294 391 H TYR 55 HN TYR 55 -1.053 -2.590 -9.267 392 HA TYR 55 HA TYR 55 0.469 -0.155 -10.087 393 HB2 TYR 55 HB2 TYR 55 -0.151 -1.043 -7.267 394 HB3 TYR 55 HB1 TYR 55 0.244 0.573 -7.840 395 HD1 TYR 55 HD2 TYR 55 -2.319 -2.048 -7.794 396 HD2 TYR 55 HD1 TYR 55 -1.410 1.985 -8.863 397 HE1 TYR 55 HE2 TYR 55 -4.749 -1.618 -8.165 398 HE2 TYR 55 HE1 TYR 55 -3.824 2.434 -9.244 399 HH TYR 55 HH TYR 55 -6.148 -0.055 -9.434 400 H CYS 56 HN CYS 56 1.166 -3.327 -9.843 401 HA CYS 56 HA CYS 56 3.537 -3.165 -8.126 402 HB2 CYS 56 HB2 CYS 56 2.478 -5.293 -9.999 403 HB3 CYS 56 HB1 CYS 56 3.999 -5.456 -9.133 404 H ASN 57 HN ASN 57 5.156 -1.864 -8.896 405 HA ASN 57 HA ASN 57 6.686 -0.913 -10.415 406 HB2 ASN 57 HB2 ASN 57 7.657 -3.155 -10.119 407 HB3 ASN 57 HB1 ASN 57 6.630 -3.777 -11.410 408 HD21 ASN 57 HD21 ASN 57 9.251 -1.426 -10.777 409 HD22 ASN 57 HD22 ASN 57 9.846 -1.417 -12.366 Start of MODEL 16 1 H1 PHE 1 HT1 PHE 1 -6.616 -12.752 3.022 2 H2 PHE 1 HT2 PHE 1 -5.525 -11.816 3.927 3 H3 PHE 1 HT3 PHE 1 -4.976 -13.180 3.075 4 HA PHE 1 HA PHE 1 -5.670 -10.517 2.094 5 HB2 PHE 1 HB2 PHE 1 -3.333 -11.476 2.438 6 HB3 PHE 1 HB1 PHE 1 -3.669 -12.572 1.109 7 HD1 PHE 1 HD2 PHE 1 -5.392 -9.752 0.051 8 HD2 PHE 1 HD1 PHE 1 -1.382 -11.057 0.820 9 HE1 PHE 1 HE2 PHE 1 -4.548 -8.087 -1.503 10 HE2 PHE 1 HE1 PHE 1 -0.535 -9.360 -0.746 11 HZ PHE 1 HZ PHE 1 -2.111 -7.867 -1.912 12 H VAL 2 HN VAL 2 -7.682 -12.618 1.896 13 HA VAL 2 HA VAL 2 -7.639 -13.350 -0.998 14 HB VAL 2 HB VAL 2 -9.745 -14.696 -0.129 15 HG11 VAL 2 HG11 VAL 2 -8.227 -16.537 0.589 16 HG12 VAL 2 HG12 VAL 2 -6.892 -15.385 0.643 17 HG13 VAL 2 HG13 VAL 2 -7.675 -15.757 -0.893 18 HG21 VAL 2 HG21 VAL 2 -9.848 -15.102 2.189 19 HG22 VAL 2 HG22 VAL 2 -9.499 -13.375 2.128 20 HG23 VAL 2 HG23 VAL 2 -8.206 -14.523 2.464 21 H ASN 3 HN ASN 3 -10.590 -13.035 0.829 22 HA ASN 3 HA ASN 3 -11.520 -10.943 -1.063 23 HB2 ASN 3 HB2 ASN 3 -13.791 -11.617 -0.221 24 HB3 ASN 3 HB1 ASN 3 -12.913 -12.902 -1.028 25 HD21 ASN 3 HD21 ASN 3 -11.308 -12.554 1.805 26 HD22 ASN 3 HD22 ASN 3 -12.146 -13.690 2.729 27 H GLN 4 HN GLN 4 -9.853 -10.442 1.360 28 HA GLN 4 HA GLN 4 -11.757 -8.967 3.103 29 HB2 GLN 4 HB2 GLN 4 -9.361 -8.476 4.237 30 HB3 GLN 4 HB1 GLN 4 -10.258 -9.959 4.539 31 HG2 GLN 4 HG2 GLN 4 -8.984 -11.119 2.786 32 HG3 GLN 4 HG1 GLN 4 -8.105 -9.631 2.427 33 HE21 GLN 4 HE21 GLN 4 -7.937 -12.481 4.202 34 HE22 GLN 4 HE22 GLN 4 -6.783 -12.008 5.351 35 H HIS 5 HN HIS 5 -11.348 -6.712 3.578 36 HA HIS 5 HA HIS 5 -10.553 -5.223 1.159 37 HB2 HIS 5 HB2 HIS 5 -11.450 -3.268 2.531 38 HB3 HIS 5 HB1 HIS 5 -12.618 -4.521 2.126 39 HD2 HIS 5 HD2 HIS 5 -11.310 -2.755 5.245 40 HE1 HIS 5 HE1 HIS 5 -13.113 -6.321 6.615 41 HE2 HIS 5 HE2 HIS 5 -12.158 -4.073 7.320 42 H LEU 6 HN LEU 6 -8.703 -4.079 0.976 43 HA LEU 6 HA LEU 6 -6.817 -4.006 3.276 44 HB2 LEU 6 HB2 LEU 6 -6.586 -3.768 0.292 45 HB3 LEU 6 HB1 LEU 6 -5.388 -2.949 1.264 46 HG LEU 6 HG LEU 6 -4.437 -4.920 2.038 47 HD11 LEU 6 HD11 LEU 6 -6.067 -6.122 3.156 48 HD12 LEU 6 HD12 LEU 6 -5.785 -7.171 1.775 49 HD13 LEU 6 HD13 LEU 6 -7.177 -6.095 1.789 50 HD21 LEU 6 HD21 LEU 6 -4.427 -6.561 0.158 51 HD22 LEU 6 HD22 LEU 6 -4.110 -4.920 -0.363 52 HD23 LEU 6 HD23 LEU 6 -5.696 -5.651 -0.622 53 H CYS 7 HN CYS 7 -6.467 -2.130 4.373 54 HA CYS 7 HA CYS 7 -7.126 0.463 3.068 55 HB2 CYS 7 HB2 CYS 7 -8.206 -0.396 5.772 56 HB3 CYS 7 HB1 CYS 7 -8.402 1.199 5.045 57 H GLY 8 HN GLY 8 -5.475 1.827 3.417 58 HA2 GLY 8 HA2 GLY 8 -3.681 2.903 4.501 59 HA3 GLY 8 HA1 GLY 8 -4.186 2.112 5.993 60 H SER 9 HN SER 9 -2.031 1.563 6.567 61 HA SER 9 HA SER 9 -0.006 0.418 5.063 62 HB2 SER 9 HB2 SER 9 -0.864 -0.340 7.871 63 HB3 SER 9 HB1 SER 9 0.676 -0.789 7.146 64 HG SER 9 HG SER 9 0.688 1.178 8.431 65 H ASP 10 HN ASP 10 -2.991 -1.160 6.108 66 HA ASP 10 HA ASP 10 -2.351 -3.859 5.781 67 HB2 ASP 10 HB2 ASP 10 -4.835 -2.282 5.103 68 HB3 ASP 10 HB1 ASP 10 -4.763 -4.020 4.814 69 H LEU 11 HN LEU 11 -3.354 -1.568 3.234 70 HA LEU 11 HA LEU 11 -3.130 -3.326 1.048 71 HB2 LEU 11 HB2 LEU 11 -4.101 -1.112 0.740 72 HB3 LEU 11 HB1 LEU 11 -2.592 -0.343 1.215 73 HG LEU 11 HG LEU 11 -1.477 -1.145 -0.773 74 HD11 LEU 11 HD11 LEU 11 -2.849 -2.415 -2.474 75 HD12 LEU 11 HD12 LEU 11 -4.009 -2.725 -1.190 76 HD13 LEU 11 HD13 LEU 11 -2.359 -3.333 -1.062 77 HD21 LEU 11 HD21 LEU 11 -2.829 -0.093 -2.542 78 HD22 LEU 11 HD22 LEU 11 -2.861 0.876 -1.070 79 HD23 LEU 11 HD23 LEU 11 -4.243 -0.137 -1.490 80 H VAL 12 HN VAL 12 -0.656 -1.038 2.256 81 HA VAL 12 HA VAL 12 1.476 -1.686 0.606 82 HB VAL 12 HB VAL 12 1.748 -1.352 3.606 83 HG11 VAL 12 HG11 VAL 12 3.929 -0.550 3.132 84 HG12 VAL 12 HG12 VAL 12 3.578 -0.362 1.415 85 HG13 VAL 12 HG13 VAL 12 3.758 -1.973 2.108 86 HG21 VAL 12 HG21 VAL 12 1.450 0.742 1.433 87 HG22 VAL 12 HG22 VAL 12 1.862 1.081 3.112 88 HG23 VAL 12 HG23 VAL 12 0.283 0.407 2.711 89 H GLU 13 HN GLU 13 1.089 -3.223 3.822 90 HA GLU 13 HA GLU 13 2.944 -5.278 3.502 91 HB2 GLU 13 HB2 GLU 13 0.231 -5.526 4.836 92 HB3 GLU 13 HB1 GLU 13 1.627 -6.564 5.128 93 HG2 GLU 13 HG2 GLU 13 2.912 -4.583 5.901 94 HG3 GLU 13 HG1 GLU 13 1.478 -3.583 5.668 95 H ALA 14 HN ALA 14 -0.254 -5.001 2.086 96 HA ALA 14 HA ALA 14 -0.290 -7.771 1.159 97 HB1 ALA 14 HB1 ALA 14 -2.483 -7.274 0.986 98 HB2 ALA 14 HB2 ALA 14 -2.129 -6.185 -0.360 99 HB3 ALA 14 HB3 ALA 14 -2.149 -5.573 1.288 100 H LEU 15 HN LEU 15 0.078 -4.597 -0.544 101 HA LEU 15 HA LEU 15 0.652 -5.667 -3.068 102 HB2 LEU 15 HB2 LEU 15 1.746 -3.212 -1.702 103 HB3 LEU 15 HB1 LEU 15 2.210 -3.637 -3.346 104 HG LEU 15 HG LEU 15 -0.722 -3.500 -2.650 105 HD11 LEU 15 HD11 LEU 15 0.492 -1.342 -1.912 106 HD12 LEU 15 HD12 LEU 15 -0.822 -1.153 -3.068 107 HD13 LEU 15 HD13 LEU 15 0.850 -1.098 -3.619 108 HD21 LEU 15 HD21 LEU 15 -0.927 -2.944 -5.010 109 HD22 LEU 15 HD22 LEU 15 0.086 -4.376 -4.864 110 HD23 LEU 15 HD23 LEU 15 0.821 -2.806 -5.167 111 H TYR 16 HN TYR 16 2.733 -5.351 -0.237 112 HA TYR 16 HA TYR 16 5.237 -5.884 -1.335 113 HB2 TYR 16 HB2 TYR 16 4.955 -5.394 1.023 114 HB3 TYR 16 HB1 TYR 16 4.091 -6.909 1.267 115 HD1 TYR 16 HD2 TYR 16 7.314 -5.727 -0.272 116 HD2 TYR 16 HD1 TYR 16 5.336 -8.677 2.133 117 HE1 TYR 16 HE2 TYR 16 9.476 -6.889 0.079 118 HE2 TYR 16 HE1 TYR 16 7.497 -9.844 2.487 119 HH TYR 16 HH TYR 16 9.716 -10.009 1.253 120 H LEU 17 HN LEU 17 2.817 -8.382 -0.368 121 HA LEU 17 HA LEU 17 4.484 -10.555 -1.321 122 HB2 LEU 17 HB2 LEU 17 1.460 -10.507 -1.062 123 HB3 LEU 17 HB1 LEU 17 2.466 -11.929 -1.217 124 HG LEU 17 HG LEU 17 3.627 -11.238 0.926 125 HD11 LEU 17 HD11 LEU 17 3.158 -9.026 1.376 126 HD12 LEU 17 HD12 LEU 17 1.880 -9.763 2.328 127 HD13 LEU 17 HD13 LEU 17 1.526 -9.110 0.733 128 HD21 LEU 17 HD21 LEU 17 0.715 -12.032 0.770 129 HD22 LEU 17 HD22 LEU 17 1.528 -11.908 2.328 130 HD23 LEU 17 HD23 LEU 17 2.116 -13.044 1.115 131 H VAL 18 HN VAL 18 1.647 -8.885 -2.654 132 HA VAL 18 HA VAL 18 1.408 -10.200 -5.104 133 HB VAL 18 HB VAL 18 1.103 -7.232 -4.621 134 HG11 VAL 18 HG11 VAL 18 -0.020 -9.093 -6.700 135 HG12 VAL 18 HG12 VAL 18 1.070 -7.736 -6.947 136 HG13 VAL 18 HG13 VAL 18 -0.585 -7.446 -6.437 137 HG21 VAL 18 HG21 VAL 18 -0.192 -8.634 -3.029 138 HG22 VAL 18 HG22 VAL 18 -0.934 -9.451 -4.401 139 HG23 VAL 18 HG23 VAL 18 -1.230 -7.736 -4.132 140 H CYS 19 HN CYS 19 3.222 -7.169 -4.596 141 HA CYS 19 HA CYS 19 4.525 -7.395 -7.183 142 HB2 CYS 19 HB2 CYS 19 5.427 -5.629 -4.912 143 HB3 CYS 19 HB1 CYS 19 5.541 -5.335 -6.641 144 H GLY 20 HN GLY 20 5.231 -8.435 -3.950 145 HA2 GLY 20 HA2 GLY 20 7.094 -9.539 -3.040 146 HA3 GLY 20 HA1 GLY 20 7.236 -10.250 -4.645 147 H GLU 21 HN GLU 21 9.284 -10.016 -5.357 148 HA GLU 21 HA GLU 21 11.029 -7.897 -4.388 149 HB2 GLU 21 HB2 GLU 21 11.362 -10.016 -6.525 150 HB3 GLU 21 HB1 GLU 21 12.638 -8.892 -6.056 151 HG2 GLU 21 HG2 GLU 21 12.414 -9.695 -3.700 152 HG3 GLU 21 HG1 GLU 21 11.245 -10.893 -4.257 153 H ARG 22 HN ARG 22 8.782 -8.148 -6.957 154 HA ARG 22 HA ARG 22 10.007 -6.597 -8.976 155 HB2 ARG 22 HB2 ARG 22 7.089 -6.516 -8.155 156 HB3 ARG 22 HB1 ARG 22 7.744 -6.048 -9.721 157 HG2 ARG 22 HG2 ARG 22 8.328 -8.284 -10.276 158 HG3 ARG 22 HG1 ARG 22 8.180 -8.826 -8.614 159 HD2 ARG 22 HD2 ARG 22 5.979 -9.308 -8.898 160 HD3 ARG 22 HD1 ARG 22 5.635 -7.696 -9.504 161 HE ARG 22 HE ARG 22 5.741 -10.084 -11.055 162 HH11 ARG 22 HH21 ARG 22 7.036 -6.886 -11.114 163 HH12 ARG 22 HH22 ARG 22 7.284 -6.883 -12.827 164 HH21 ARG 22 HH11 ARG 22 6.051 -10.089 -13.277 165 HH22 ARG 22 HH12 ARG 22 6.725 -8.694 -14.050 166 H GLY 23 HN GLY 23 8.659 -5.653 -5.885 167 HA2 GLY 23 HA2 GLY 23 8.908 -3.598 -4.757 168 HA3 GLY 23 HA1 GLY 23 9.852 -3.004 -6.127 169 H PHE 24 HN PHE 24 7.689 -1.553 -4.768 170 HA PHE 24 HA PHE 24 6.114 -0.920 -7.160 171 HB2 PHE 24 HB2 PHE 24 3.959 -1.343 -6.172 172 HB3 PHE 24 HB1 PHE 24 4.916 -2.814 -6.033 173 HD1 PHE 24 HD1 PHE 24 5.783 -3.570 -3.880 174 HD2 PHE 24 HD2 PHE 24 3.452 0.026 -4.189 175 HE1 PHE 24 HE1 PHE 24 5.471 -3.558 -1.422 176 HE2 PHE 24 HE2 PHE 24 3.136 0.026 -1.728 177 HZ PHE 24 HZ PHE 24 4.145 -1.759 -0.351 178 H PHE 25 HN PHE 25 4.523 0.865 -6.593 179 HA PHE 25 HA PHE 25 5.750 2.753 -4.613 180 HB2 PHE 25 HB2 PHE 25 4.917 4.553 -6.136 181 HB3 PHE 25 HB1 PHE 25 6.106 3.509 -6.916 182 HD1 PHE 25 HD1 PHE 25 2.452 4.184 -6.588 183 HD2 PHE 25 HD2 PHE 25 5.531 2.158 -8.798 184 HE1 PHE 25 HE1 PHE 25 0.798 3.596 -8.350 185 HE2 PHE 25 HE2 PHE 25 3.884 1.575 -10.557 186 HZ PHE 25 HZ PHE 25 1.521 2.293 -10.333 187 H TYR 26 HN TYR 26 4.326 3.725 -3.171 188 HA TYR 26 HA TYR 26 1.623 2.615 -3.047 189 HB2 TYR 26 HB2 TYR 26 3.172 3.354 -1.047 190 HB3 TYR 26 HB1 TYR 26 2.534 4.965 -1.376 191 HD1 TYR 26 HD1 TYR 26 1.336 1.423 -0.992 192 HD2 TYR 26 HD2 TYR 26 0.525 5.593 -0.314 193 HE1 TYR 26 HE1 TYR 26 -0.759 0.840 0.202 194 HE2 TYR 26 HE2 TYR 26 -1.557 4.996 0.885 195 HH TYR 26 HH TYR 26 -2.222 1.950 2.006 196 H THR 27 HN THR 27 -0.245 4.311 -2.776 197 HA THR 27 HA THR 27 -0.403 5.757 -5.236 198 HB THR 27 HB THR 27 -2.403 4.946 -4.095 199 HG1 THR 27 HG1 THR 27 -2.065 7.247 -5.190 200 HG21 THR 27 HG21 THR 27 -1.706 7.011 -1.985 201 HG22 THR 27 HG22 THR 27 -1.666 5.263 -1.782 202 HG23 THR 27 HG23 THR 27 -3.200 6.078 -2.043 203 H ASP 28 HN ASP 28 -1.079 8.215 -5.135 204 HA ASP 28 HA ASP 28 1.116 9.763 -4.763 205 HB2 ASP 28 HB2 ASP 28 -1.640 10.241 -5.231 206 HB3 ASP 28 HB1 ASP 28 -1.175 11.372 -3.966 207 HA PRO 29 HA PRO 29 1.745 10.083 -0.332 208 HB2 PRO 29 HB2 PRO 29 3.272 12.393 -0.254 209 HB3 PRO 29 HB1 PRO 29 3.906 10.817 -0.751 210 HG2 PRO 29 HG2 PRO 29 3.186 13.173 -2.440 211 HG3 PRO 29 HG1 PRO 29 4.390 11.911 -2.735 212 HD2 PRO 29 HD2 PRO 29 1.848 12.039 -3.943 213 HD3 PRO 29 HD1 PRO 29 2.901 10.608 -3.876 214 H THR 30 HN THR 30 -0.044 12.345 -2.134 215 HA THR 30 HA THR 30 -0.406 14.520 -0.406 216 HB THR 30 HB THR 30 -2.497 14.921 -1.555 217 HG1 THR 30 HG1 THR 30 -2.260 12.254 -2.486 218 HG21 THR 30 HG21 THR 30 -0.408 15.216 -2.843 219 HG22 THR 30 HG22 THR 30 -1.734 14.704 -3.887 220 HG23 THR 30 HG23 THR 30 -0.509 13.541 -3.383 221 H GLY 31 HN GLY 31 -2.090 11.381 -0.297 222 HA2 GLY 31 HA2 GLY 31 -3.240 10.394 1.507 223 HA3 GLY 31 HA1 GLY 31 -2.500 11.610 2.541 224 H GLY 32 HN GLY 32 -3.796 13.651 0.521 225 HA2 GLY 32 HA2 GLY 32 -6.348 13.836 2.039 226 HA3 GLY 32 HA1 GLY 32 -5.621 15.132 1.087 227 H GLY 33 HN GLY 33 -5.116 12.978 -1.034 228 HA2 GLY 33 HA2 GLY 33 -7.646 12.041 -1.990 229 HA3 GLY 33 HA1 GLY 33 -7.241 13.565 -2.787 230 HA PRO 34 HA PRO 34 -3.505 10.805 -3.925 231 HB2 PRO 34 HB2 PRO 34 -3.502 8.230 -2.859 232 HB3 PRO 34 HB1 PRO 34 -2.637 9.598 -2.160 233 HG2 PRO 34 HG2 PRO 34 -5.183 8.320 -1.285 234 HG3 PRO 34 HG1 PRO 34 -3.969 9.173 -0.317 235 HD2 PRO 34 HD2 PRO 34 -6.424 10.266 -1.083 236 HD3 PRO 34 HD1 PRO 34 -4.992 11.207 -0.615 237 H ARG 35 HN ARG 35 -3.277 8.461 -5.089 238 HA ARG 35 HA ARG 35 -5.267 8.324 -7.104 239 HB2 ARG 35 HB2 ARG 35 -2.840 7.320 -6.998 240 HB3 ARG 35 HB1 ARG 35 -3.635 5.907 -6.310 241 HG2 ARG 35 HG2 ARG 35 -5.143 5.822 -8.286 242 HG3 ARG 35 HG1 ARG 35 -4.261 7.180 -8.989 243 HD2 ARG 35 HD2 ARG 35 -2.151 5.790 -8.768 244 HD3 ARG 35 HD1 ARG 35 -3.181 4.419 -8.352 245 HE ARG 35 HE ARG 35 -4.251 5.372 -10.730 246 HH11 ARG 35 HH21 ARG 35 -1.157 4.377 -9.583 247 HH12 ARG 35 HH22 ARG 35 -0.620 3.806 -11.127 248 HH21 ARG 35 HH11 ARG 35 -3.568 4.634 -12.754 249 HH22 ARG 35 HH12 ARG 35 -1.986 3.951 -12.923 250 H ARG 36 HN ARG 36 -7.328 8.246 -5.990 251 HA ARG 36 HA ARG 36 -8.025 6.302 -4.030 252 HB2 ARG 36 HB2 ARG 36 -9.999 7.265 -6.106 253 HB3 ARG 36 HB1 ARG 36 -10.261 6.956 -4.388 254 HG2 ARG 36 HG2 ARG 36 -8.627 8.869 -3.942 255 HG3 ARG 36 HG1 ARG 36 -8.774 9.259 -5.655 256 HD2 ARG 36 HD2 ARG 36 -11.432 9.008 -4.882 257 HD3 ARG 36 HD1 ARG 36 -10.698 9.735 -3.456 258 HE ARG 36 HE ARG 36 -11.368 11.145 -5.785 259 HH11 ARG 36 HH21 ARG 36 -8.527 10.578 -3.902 260 HH12 ARG 36 HH22 ARG 36 -7.732 12.014 -4.443 261 HH21 ARG 36 HH11 ARG 36 -10.345 13.017 -6.480 262 HH22 ARG 36 HH12 ARG 36 -8.760 13.396 -5.894 263 H GLY 37 HN GLY 37 -7.064 5.879 -7.182 264 HA2 GLY 37 HA2 GLY 37 -8.784 3.746 -8.041 265 HA3 GLY 37 HA1 GLY 37 -7.181 4.086 -8.686 266 H ILE 38 HN ILE 38 -6.001 3.831 -5.881 267 HA ILE 38 HA ILE 38 -5.920 0.851 -5.900 268 HB ILE 38 HB ILE 38 -3.849 2.626 -5.998 269 HG12 ILE 38 HG12 ILE 38 -3.359 0.405 -6.529 270 HG13 ILE 38 HG11 ILE 38 -2.407 0.658 -5.085 271 HG21 ILE 38 HG21 ILE 38 -2.645 2.602 -3.858 272 HG22 ILE 38 HG22 ILE 38 -4.019 1.834 -3.076 273 HG23 ILE 38 HG23 ILE 38 -4.171 3.463 -3.726 274 HD11 ILE 38 HD11 ILE 38 -4.786 -1.085 -5.514 275 HD12 ILE 38 HD12 ILE 38 -4.686 -0.274 -3.953 276 HD13 ILE 38 HD13 ILE 38 -3.384 -1.323 -4.480 277 H VAL 39 HN VAL 39 -5.918 3.489 -3.454 278 HA VAL 39 HA VAL 39 -6.411 1.745 -1.268 279 HB VAL 39 HB VAL 39 -7.361 4.608 -1.351 280 HG11 VAL 39 HG11 VAL 39 -6.727 4.537 1.016 281 HG12 VAL 39 HG12 VAL 39 -6.113 2.895 0.820 282 HG13 VAL 39 HG13 VAL 39 -7.839 3.217 0.653 283 HG21 VAL 39 HG21 VAL 39 -4.909 5.009 -0.484 284 HG22 VAL 39 HG22 VAL 39 -5.195 4.885 -2.217 285 HG23 VAL 39 HG23 VAL 39 -4.548 3.503 -1.332 286 H GLU 40 HN GLU 40 -8.846 3.999 -2.675 287 HA GLU 40 HA GLU 40 -11.040 2.851 -1.321 288 HB2 GLU 40 HB2 GLU 40 -10.968 4.180 -4.040 289 HB3 GLU 40 HB1 GLU 40 -12.443 3.826 -3.142 290 HG2 GLU 40 HG2 GLU 40 -11.385 5.156 -1.208 291 HG3 GLU 40 HG1 GLU 40 -10.219 5.733 -2.398 292 H GLN 41 HN GLN 41 -9.760 2.024 -4.552 293 HA GLN 41 HA GLN 41 -11.648 0.153 -5.365 294 HB2 GLN 41 HB2 GLN 41 -9.579 0.835 -6.626 295 HB3 GLN 41 HB1 GLN 41 -8.654 -0.277 -5.617 296 HG2 GLN 41 HG2 GLN 41 -10.174 -2.124 -6.356 297 HG3 GLN 41 HG1 GLN 41 -10.960 -0.992 -7.454 298 HE21 GLN 41 HE21 GLN 41 -10.256 -1.713 -9.465 299 HE22 GLN 41 HE22 GLN 41 -8.629 -1.864 -9.898 300 H CYS 42 HN CYS 42 -8.723 -0.669 -3.463 301 HA CYS 42 HA CYS 42 -9.868 -3.292 -2.814 302 HB2 CYS 42 HB2 CYS 42 -7.307 -1.977 -1.877 303 HB3 CYS 42 HB1 CYS 42 -7.744 -3.672 -1.668 304 H CYS 43 HN CYS 43 -9.556 -0.175 -1.229 305 HA CYS 43 HA CYS 43 -10.179 -1.287 1.421 306 HB2 CYS 43 HB2 CYS 43 -8.746 0.759 1.153 307 HB3 CYS 43 HB1 CYS 43 -10.161 1.617 0.536 308 H HIS 44 HN HIS 44 -11.839 0.852 -0.913 309 HA HIS 44 HA HIS 44 -14.338 0.750 0.552 310 HB2 HIS 44 HB2 HIS 44 -13.571 2.573 -1.090 311 HB3 HIS 44 HB1 HIS 44 -14.026 1.453 -2.374 312 HD2 HIS 44 HD2 HIS 44 -16.857 0.903 -2.523 313 HE1 HIS 44 HE1 HIS 44 -17.971 4.003 0.121 314 HE2 HIS 44 HE2 HIS 44 -18.827 2.299 -1.559 315 H SER 45 HN SER 45 -12.830 -1.205 -1.927 316 HA SER 45 HA SER 45 -15.212 -3.023 -1.860 317 HB2 SER 45 HB2 SER 45 -13.696 -2.540 -4.422 318 HB3 SER 45 HB1 SER 45 -15.291 -3.249 -4.200 319 HG SER 45 HG SER 45 -15.160 -0.759 -3.153 320 H ILE 46 HN ILE 46 -14.676 -5.248 -2.408 321 HA ILE 46 HA ILE 46 -12.044 -6.028 -1.407 322 HB ILE 46 HB ILE 46 -14.090 -7.872 -2.654 323 HG12 ILE 46 HG12 ILE 46 -15.345 -6.427 -1.130 324 HG13 ILE 46 HG11 ILE 46 -15.157 -8.024 -0.412 325 HG21 ILE 46 HG21 ILE 46 -11.913 -8.814 -1.964 326 HG22 ILE 46 HG22 ILE 46 -13.235 -9.431 -0.974 327 HG23 ILE 46 HG23 ILE 46 -12.163 -8.183 -0.335 328 HD11 ILE 46 HD11 ILE 46 -13.590 -5.521 0.254 329 HD12 ILE 46 HD12 ILE 46 -13.139 -7.122 0.837 330 HD13 ILE 46 HD13 ILE 46 -14.679 -6.414 1.310 331 H CYS 47 HN CYS 47 -10.448 -5.513 -2.937 332 HA CYS 47 HA CYS 47 -10.883 -6.291 -5.768 333 HB2 CYS 47 HB2 CYS 47 -8.980 -4.991 -6.286 334 HB3 CYS 47 HB1 CYS 47 -9.779 -4.083 -5.007 335 H SER 48 HN SER 48 -9.373 -7.694 -6.864 336 HA SER 48 HA SER 48 -8.378 -9.862 -5.115 337 HB2 SER 48 HB2 SER 48 -7.793 -10.833 -7.488 338 HB3 SER 48 HB1 SER 48 -9.475 -10.759 -6.980 339 HG SER 48 HG SER 48 -8.100 -9.279 -8.886 340 H LEU 49 HN LEU 49 -6.157 -10.741 -5.646 341 HA LEU 49 HA LEU 49 -4.150 -8.768 -5.266 342 HB2 LEU 49 HB2 LEU 49 -3.752 -11.503 -6.510 343 HB3 LEU 49 HB1 LEU 49 -2.554 -10.555 -5.637 344 HG LEU 49 HG LEU 49 -5.007 -11.932 -4.523 345 HD11 LEU 49 HD11 LEU 49 -2.091 -12.002 -3.691 346 HD12 LEU 49 HD12 LEU 49 -2.844 -13.194 -4.751 347 HD13 LEU 49 HD13 LEU 49 -3.387 -13.031 -3.080 348 HD21 LEU 49 HD21 LEU 49 -4.174 -10.903 -2.315 349 HD22 LEU 49 HD22 LEU 49 -5.065 -9.832 -3.394 350 HD23 LEU 49 HD23 LEU 49 -3.306 -9.749 -3.323 351 H TYR 50 HN TYR 50 -5.518 -10.235 -8.107 352 HA TYR 50 HA TYR 50 -3.794 -9.665 -10.153 353 HB2 TYR 50 HB2 TYR 50 -6.250 -10.593 -10.068 354 HB3 TYR 50 HB1 TYR 50 -6.707 -8.921 -10.392 355 HD1 TYR 50 HD2 TYR 50 -4.789 -11.796 -11.575 356 HD2 TYR 50 HD1 TYR 50 -6.342 -7.935 -12.524 357 HE1 TYR 50 HE2 TYR 50 -4.238 -12.182 -13.977 358 HE2 TYR 50 HE1 TYR 50 -5.802 -8.289 -14.929 359 HH TYR 50 HH TYR 50 -5.150 -9.806 -16.462 360 H GLN 51 HN GLN 51 -6.284 -7.433 -8.967 361 HA GLN 51 HA GLN 51 -5.377 -5.193 -10.501 362 HB2 GLN 51 HB2 GLN 51 -6.726 -4.954 -7.802 363 HB3 GLN 51 HB1 GLN 51 -6.836 -3.873 -9.188 364 HG2 GLN 51 HG2 GLN 51 -7.812 -5.931 -10.457 365 HG3 GLN 51 HG1 GLN 51 -8.085 -6.594 -8.847 366 HE21 GLN 51 HE21 GLN 51 -10.082 -5.611 -10.900 367 HE22 GLN 51 HE22 GLN 51 -11.001 -4.433 -10.095 368 H LEU 52 HN LEU 52 -4.604 -6.267 -7.203 369 HA LEU 52 HA LEU 52 -2.924 -4.056 -6.563 370 HB2 LEU 52 HB2 LEU 52 -2.784 -6.933 -5.660 371 HB3 LEU 52 HB1 LEU 52 -1.875 -5.618 -4.926 372 HG LEU 52 HG LEU 52 -4.898 -5.834 -5.066 373 HD11 LEU 52 HD11 LEU 52 -3.010 -5.883 -2.703 374 HD12 LEU 52 HD12 LEU 52 -3.704 -7.319 -3.462 375 HD13 LEU 52 HD13 LEU 52 -4.755 -6.138 -2.678 376 HD21 LEU 52 HD21 LEU 52 -4.491 -3.832 -3.315 377 HD22 LEU 52 HD22 LEU 52 -4.626 -3.526 -5.044 378 HD23 LEU 52 HD23 LEU 52 -3.039 -3.618 -4.294 379 H GLU 53 HN GLU 53 -2.571 -6.809 -8.566 380 HA GLU 53 HA GLU 53 0.323 -6.659 -8.790 381 HB2 GLU 53 HB2 GLU 53 -1.631 -8.564 -9.374 382 HB3 GLU 53 HB1 GLU 53 -1.144 -8.021 -10.976 383 HG2 GLU 53 HG2 GLU 53 0.835 -8.907 -8.855 384 HG3 GLU 53 HG1 GLU 53 0.155 -9.995 -10.052 385 H ASN 54 HN ASN 54 -2.225 -4.838 -9.894 386 HA ASN 54 HA ASN 54 -1.163 -4.127 -12.514 387 HB2 ASN 54 HB2 ASN 54 -3.639 -4.038 -11.575 388 HB3 ASN 54 HB1 ASN 54 -3.164 -2.438 -11.007 389 HD21 ASN 54 HD21 ASN 54 -5.135 -2.985 -13.113 390 HD22 ASN 54 HD22 ASN 54 -4.540 -2.286 -14.539 391 H TYR 55 HN TYR 55 -0.837 -2.963 -9.228 392 HA TYR 55 HA TYR 55 0.527 -0.483 -10.167 393 HB2 TYR 55 HB2 TYR 55 -0.041 -1.298 -7.313 394 HB3 TYR 55 HB1 TYR 55 0.282 0.316 -7.936 395 HD1 TYR 55 HD2 TYR 55 -2.157 -2.401 -7.755 396 HD2 TYR 55 HD1 TYR 55 -1.420 1.586 -9.091 397 HE1 TYR 55 HE2 TYR 55 -4.600 -2.108 -8.169 398 HE2 TYR 55 HE1 TYR 55 -3.846 1.898 -9.523 399 HH TYR 55 HH TYR 55 -6.015 0.875 -8.643 400 H CYS 56 HN CYS 56 1.454 -3.597 -9.709 401 HA CYS 56 HA CYS 56 3.845 -3.107 -8.081 402 HB2 CYS 56 HB2 CYS 56 3.050 -5.481 -9.788 403 HB3 CYS 56 HB1 CYS 56 4.429 -5.434 -8.697 404 H ASN 57 HN ASN 57 5.451 -1.903 -8.967 405 HA ASN 57 HA ASN 57 6.916 -1.016 -10.580 406 HB2 ASN 57 HB2 ASN 57 7.845 -3.292 -10.279 407 HB3 ASN 57 HB1 ASN 57 6.779 -3.887 -11.552 408 HD21 ASN 57 HD21 ASN 57 9.914 -2.893 -11.061 409 HD22 ASN 57 HD22 ASN 57 10.282 -2.339 -12.623 Start of MODEL 17 1 H1 PHE 1 HT1 PHE 1 -5.588 -12.270 3.121 2 H2 PHE 1 HT2 PHE 1 -5.050 -13.592 2.199 3 H3 PHE 1 HT3 PHE 1 -6.693 -13.160 2.192 4 HA PHE 1 HA PHE 1 -5.730 -10.883 1.363 5 HB2 PHE 1 HB2 PHE 1 -3.409 -11.943 1.587 6 HB3 PHE 1 HB1 PHE 1 -3.808 -12.907 0.175 7 HD1 PHE 1 HD2 PHE 1 -5.483 -10.000 -0.625 8 HD2 PHE 1 HD1 PHE 1 -1.481 -11.394 0.010 9 HE1 PHE 1 HE2 PHE 1 -4.631 -8.212 -2.034 10 HE2 PHE 1 HE1 PHE 1 -0.628 -9.579 -1.408 11 HZ PHE 1 HZ PHE 1 -2.193 -7.979 -2.434 12 H VAL 2 HN VAL 2 -7.765 -12.999 1.118 13 HA VAL 2 HA VAL 2 -7.823 -13.562 -1.807 14 HB VAL 2 HB VAL 2 -9.973 -14.859 -0.949 15 HG11 VAL 2 HG11 VAL 2 -7.933 -15.933 -1.818 16 HG12 VAL 2 HG12 VAL 2 -8.565 -16.805 -0.420 17 HG13 VAL 2 HG13 VAL 2 -7.165 -15.747 -0.241 18 HG21 VAL 2 HG21 VAL 2 -10.039 -15.373 1.348 19 HG22 VAL 2 HG22 VAL 2 -9.602 -13.666 1.365 20 HG23 VAL 2 HG23 VAL 2 -8.362 -14.892 1.606 21 H ASN 3 HN ASN 3 -10.702 -13.237 0.104 22 HA ASN 3 HA ASN 3 -11.623 -11.003 -1.636 23 HB2 ASN 3 HB2 ASN 3 -13.900 -11.781 -0.555 24 HB3 ASN 3 HB1 ASN 3 -13.182 -12.741 -1.836 25 HD21 ASN 3 HD21 ASN 3 -14.566 -13.061 1.118 26 HD22 ASN 3 HD22 ASN 3 -13.812 -14.495 1.604 27 H GLN 4 HN GLN 4 -9.906 -10.719 0.779 28 HA GLN 4 HA GLN 4 -11.743 -9.389 2.698 29 HB2 GLN 4 HB2 GLN 4 -9.313 -9.001 3.795 30 HB3 GLN 4 HB1 GLN 4 -10.200 -10.506 3.993 31 HG2 GLN 4 HG2 GLN 4 -8.983 -11.501 2.100 32 HG3 GLN 4 HG1 GLN 4 -8.113 -9.986 1.854 33 HE21 GLN 4 HE21 GLN 4 -8.036 -12.976 3.500 34 HE22 GLN 4 HE22 GLN 4 -6.787 -12.615 4.589 35 H HIS 5 HN HIS 5 -11.316 -7.184 3.346 36 HA HIS 5 HA HIS 5 -10.602 -5.492 1.044 37 HB2 HIS 5 HB2 HIS 5 -11.451 -3.663 2.548 38 HB3 HIS 5 HB1 HIS 5 -12.631 -4.930 2.223 39 HD2 HIS 5 HD2 HIS 5 -13.183 -6.644 4.462 40 HE1 HIS 5 HE1 HIS 5 -11.055 -4.316 7.273 41 HE2 HIS 5 HE2 HIS 5 -12.674 -6.254 6.982 42 H LEU 6 HN LEU 6 -8.745 -4.361 0.873 43 HA LEU 6 HA LEU 6 -6.768 -4.483 3.098 44 HB2 LEU 6 HB2 LEU 6 -6.643 -4.085 0.130 45 HB3 LEU 6 HB1 LEU 6 -5.397 -3.333 1.093 46 HG LEU 6 HG LEU 6 -4.477 -5.361 1.774 47 HD11 LEU 6 HD11 LEU 6 -5.864 -7.568 1.337 48 HD12 LEU 6 HD12 LEU 6 -7.233 -6.469 1.444 49 HD13 LEU 6 HD13 LEU 6 -6.118 -6.623 2.799 50 HD21 LEU 6 HD21 LEU 6 -4.481 -6.857 -0.221 51 HD22 LEU 6 HD22 LEU 6 -4.151 -5.184 -0.620 52 HD23 LEU 6 HD23 LEU 6 -5.743 -5.881 -0.929 53 H CYS 7 HN CYS 7 -6.277 -2.660 4.251 54 HA CYS 7 HA CYS 7 -6.847 -0.001 3.098 55 HB2 CYS 7 HB2 CYS 7 -8.834 -1.121 4.556 56 HB3 CYS 7 HB1 CYS 7 -7.913 -0.385 5.864 57 H GLY 8 HN GLY 8 -5.157 1.277 3.579 58 HA2 GLY 8 HA2 GLY 8 -3.357 2.209 4.785 59 HA3 GLY 8 HA1 GLY 8 -3.938 1.344 6.208 60 H SER 9 HN SER 9 -1.897 0.572 6.843 61 HA SER 9 HA SER 9 0.147 -0.525 5.312 62 HB2 SER 9 HB2 SER 9 -0.871 -1.446 8.014 63 HB3 SER 9 HB1 SER 9 0.661 -1.958 7.310 64 HG SER 9 HG SER 9 1.092 -0.191 8.567 65 H ASP 10 HN ASP 10 -2.933 -2.047 6.168 66 HA ASP 10 HA ASP 10 -2.402 -4.730 5.578 67 HB2 ASP 10 HB2 ASP 10 -4.801 -2.964 5.183 68 HB3 ASP 10 HB1 ASP 10 -4.849 -4.602 4.544 69 H LEU 11 HN LEU 11 -3.314 -2.164 3.267 70 HA LEU 11 HA LEU 11 -3.142 -3.720 0.923 71 HB2 LEU 11 HB2 LEU 11 -4.072 -1.470 0.829 72 HB3 LEU 11 HB1 LEU 11 -2.547 -0.777 1.367 73 HG LEU 11 HG LEU 11 -1.453 -1.384 -0.694 74 HD11 LEU 11 HD11 LEU 11 -2.823 -2.505 -2.496 75 HD12 LEU 11 HD12 LEU 11 -3.987 -2.921 -1.246 76 HD13 LEU 11 HD13 LEU 11 -2.338 -3.541 -1.166 77 HD21 LEU 11 HD21 LEU 11 -4.226 -0.340 -1.336 78 HD22 LEU 11 HD22 LEU 11 -2.793 -0.164 -2.347 79 HD23 LEU 11 HD23 LEU 11 -2.874 0.649 -0.784 80 H VAL 12 HN VAL 12 -0.619 -1.602 2.318 81 HA VAL 12 HA VAL 12 1.483 -2.128 0.588 82 HB VAL 12 HB VAL 12 1.808 -2.083 3.598 83 HG11 VAL 12 HG11 VAL 12 3.983 -1.280 3.174 84 HG12 VAL 12 HG12 VAL 12 3.598 -0.835 1.514 85 HG13 VAL 12 HG13 VAL 12 3.774 -2.533 1.953 86 HG21 VAL 12 HG21 VAL 12 1.396 0.203 1.646 87 HG22 VAL 12 HG22 VAL 12 1.936 0.405 3.312 88 HG23 VAL 12 HG23 VAL 12 0.332 -0.245 2.978 89 H GLU 13 HN GLU 13 1.117 -3.942 3.661 90 HA GLU 13 HA GLU 13 2.939 -5.984 3.123 91 HB2 GLU 13 HB2 GLU 13 0.251 -6.322 4.488 92 HB3 GLU 13 HB1 GLU 13 1.648 -7.386 4.664 93 HG2 GLU 13 HG2 GLU 13 2.957 -5.415 5.517 94 HG3 GLU 13 HG1 GLU 13 1.462 -4.478 5.498 95 H ALA 14 HN ALA 14 -0.225 -5.485 1.736 96 HA ALA 14 HA ALA 14 -0.346 -8.179 0.587 97 HB1 ALA 14 HB1 ALA 14 -2.185 -6.440 -0.744 98 HB2 ALA 14 HB2 ALA 14 -2.165 -5.971 0.950 99 HB3 ALA 14 HB3 ALA 14 -2.532 -7.635 0.510 100 H LEU 15 HN LEU 15 0.058 -4.863 -0.816 101 HA LEU 15 HA LEU 15 0.588 -5.714 -3.439 102 HB2 LEU 15 HB2 LEU 15 1.730 -3.400 -1.872 103 HB3 LEU 15 HB1 LEU 15 2.172 -3.685 -3.552 104 HG LEU 15 HG LEU 15 -0.750 -3.564 -2.809 105 HD11 LEU 15 HD11 LEU 15 -0.814 -1.186 -3.036 106 HD12 LEU 15 HD12 LEU 15 0.860 -1.115 -3.581 107 HD13 LEU 15 HD13 LEU 15 0.497 -1.497 -1.901 108 HD21 LEU 15 HD21 LEU 15 0.764 -2.663 -5.275 109 HD22 LEU 15 HD22 LEU 15 -0.982 -2.824 -5.108 110 HD23 LEU 15 HD23 LEU 15 0.039 -4.258 -5.101 111 H TYR 16 HN TYR 16 2.678 -5.705 -0.598 112 HA TYR 16 HA TYR 16 5.177 -6.164 -1.750 113 HB2 TYR 16 HB2 TYR 16 4.884 -5.899 0.648 114 HB3 TYR 16 HB1 TYR 16 4.019 -7.429 0.739 115 HD1 TYR 16 HD2 TYR 16 7.246 -6.107 -0.672 116 HD2 TYR 16 HD1 TYR 16 5.262 -9.274 1.432 117 HE1 TYR 16 HE2 TYR 16 9.407 -7.298 -0.431 118 HE2 TYR 16 HE1 TYR 16 7.421 -10.471 1.676 119 HH TYR 16 HH TYR 16 9.942 -10.075 -0.055 120 H LEU 17 HN LEU 17 2.729 -8.710 -1.002 121 HA LEU 17 HA LEU 17 4.349 -10.805 -2.171 122 HB2 LEU 17 HB2 LEU 17 1.331 -10.718 -1.876 123 HB3 LEU 17 HB1 LEU 17 2.295 -12.141 -2.201 124 HG LEU 17 HG LEU 17 3.511 -11.701 -0.016 125 HD11 LEU 17 HD11 LEU 17 1.424 -9.547 0.072 126 HD12 LEU 17 HD12 LEU 17 3.078 -9.534 0.660 127 HD13 LEU 17 HD13 LEU 17 1.833 -10.365 1.577 128 HD21 LEU 17 HD21 LEU 17 1.967 -13.493 -0.013 129 HD22 LEU 17 HD22 LEU 17 0.581 -12.421 -0.196 130 HD23 LEU 17 HD23 LEU 17 1.437 -12.497 1.342 131 H VAL 18 HN VAL 18 1.535 -8.974 -3.340 132 HA VAL 18 HA VAL 18 1.291 -10.044 -5.911 133 HB VAL 18 HB VAL 18 1.035 -7.119 -5.172 134 HG11 VAL 18 HG11 VAL 18 -0.496 -6.964 -6.989 135 HG12 VAL 18 HG12 VAL 18 -0.466 -8.703 -7.246 136 HG13 VAL 18 HG13 VAL 18 0.957 -7.731 -7.611 137 HG21 VAL 18 HG21 VAL 18 -1.299 -7.628 -4.650 138 HG22 VAL 18 HG22 VAL 18 -0.238 -8.611 -3.642 139 HG23 VAL 18 HG23 VAL 18 -1.034 -9.326 -5.044 140 H CYS 19 HN CYS 19 3.152 -7.119 -5.084 141 HA CYS 19 HA CYS 19 4.493 -7.103 -7.658 142 HB2 CYS 19 HB2 CYS 19 5.394 -5.588 -5.215 143 HB3 CYS 19 HB1 CYS 19 5.507 -5.117 -6.905 144 H GLY 20 HN GLY 20 5.118 -8.491 -4.550 145 HA2 GLY 20 HA2 GLY 20 6.939 -9.738 -3.737 146 HA3 GLY 20 HA1 GLY 20 7.136 -10.231 -5.415 147 H GLU 21 HN GLU 21 9.223 -9.932 -5.993 148 HA GLU 21 HA GLU 21 10.901 -7.925 -4.706 149 HB2 GLU 21 HB2 GLU 21 11.374 -9.801 -7.036 150 HB3 GLU 21 HB1 GLU 21 12.608 -8.728 -6.376 151 HG2 GLU 21 HG2 GLU 21 12.186 -9.792 -4.118 152 HG3 GLU 21 HG1 GLU 21 11.176 -10.978 -4.946 153 H ARG 22 HN ARG 22 8.794 -7.924 -7.411 154 HA ARG 22 HA ARG 22 10.092 -6.163 -9.190 155 HB2 ARG 22 HB2 ARG 22 7.145 -6.126 -8.472 156 HB3 ARG 22 HB1 ARG 22 7.867 -5.498 -9.951 157 HG2 ARG 22 HG2 ARG 22 8.635 -7.772 -10.540 158 HG3 ARG 22 HG1 ARG 22 7.889 -8.401 -9.070 159 HD2 ARG 22 HD2 ARG 22 6.238 -8.786 -10.711 160 HD3 ARG 22 HD1 ARG 22 5.711 -7.282 -9.961 161 HE ARG 22 HE ARG 22 7.320 -6.447 -12.058 162 HH11 ARG 22 HH21 ARG 22 4.613 -8.545 -11.660 163 HH12 ARG 22 HH22 ARG 22 3.976 -8.240 -13.242 164 HH21 ARG 22 HH11 ARG 22 6.505 -6.038 -14.125 165 HH22 ARG 22 HH12 ARG 22 5.047 -6.820 -14.637 166 H GLY 23 HN GLY 23 8.585 -5.552 -6.083 167 HA2 GLY 23 HA2 GLY 23 8.792 -3.639 -4.720 168 HA3 GLY 23 HA1 GLY 23 9.818 -2.912 -5.962 169 H PHE 24 HN PHE 24 7.617 -1.560 -4.600 170 HA PHE 24 HA PHE 24 6.163 -0.685 -6.993 171 HB2 PHE 24 HB2 PHE 24 3.956 -1.134 -6.121 172 HB3 PHE 24 HB1 PHE 24 4.871 -2.639 -6.106 173 HD1 PHE 24 HD1 PHE 24 5.668 -3.621 -4.014 174 HD2 PHE 24 HD2 PHE 24 3.406 0.033 -4.023 175 HE1 PHE 24 HE1 PHE 24 5.285 -3.849 -1.577 176 HE2 PHE 24 HE2 PHE 24 3.019 -0.210 -1.585 177 HZ PHE 24 HZ PHE 24 3.958 -2.146 -0.368 178 H PHE 25 HN PHE 25 4.581 1.081 -6.328 179 HA PHE 25 HA PHE 25 5.787 2.755 -4.152 180 HB2 PHE 25 HB2 PHE 25 4.961 4.696 -5.508 181 HB3 PHE 25 HB1 PHE 25 6.177 3.737 -6.353 182 HD1 PHE 25 HD1 PHE 25 2.518 4.373 -6.058 183 HD2 PHE 25 HD2 PHE 25 5.655 2.547 -8.359 184 HE1 PHE 25 HE1 PHE 25 0.911 3.940 -7.904 185 HE2 PHE 25 HE2 PHE 25 4.053 2.120 -10.202 186 HZ PHE 25 HZ PHE 25 1.684 2.815 -9.975 187 H TYR 26 HN TYR 26 4.382 3.571 -2.624 188 HA TYR 26 HA TYR 26 1.667 2.503 -2.596 189 HB2 TYR 26 HB2 TYR 26 3.220 3.036 -0.547 190 HB3 TYR 26 HB1 TYR 26 2.628 4.686 -0.738 191 HD1 TYR 26 HD1 TYR 26 1.300 1.167 -0.694 192 HD2 TYR 26 HD2 TYR 26 0.671 5.270 0.424 193 HE1 TYR 26 HE1 TYR 26 -0.808 0.547 0.462 194 HE2 TYR 26 HE2 TYR 26 -1.423 4.638 1.584 195 HH TYR 26 HH TYR 26 -2.738 2.970 2.215 196 H THR 27 HN THR 27 -0.177 4.222 -2.149 197 HA THR 27 HA THR 27 -0.347 5.828 -4.501 198 HB THR 27 HB THR 27 -2.333 5.008 -3.321 199 HG1 THR 27 HG1 THR 27 -3.484 6.875 -3.574 200 HG21 THR 27 HG21 THR 27 -3.058 6.086 -1.226 201 HG22 THR 27 HG22 THR 27 -1.560 7.014 -1.183 202 HG23 THR 27 HG23 THR 27 -1.518 5.262 -1.015 203 H ASP 28 HN ASP 28 -0.911 8.296 -4.263 204 HA ASP 28 HA ASP 28 1.374 9.706 -3.809 205 HB2 ASP 28 HB2 ASP 28 -1.332 10.354 -4.330 206 HB3 ASP 28 HB1 ASP 28 -0.855 11.394 -2.992 207 HA PRO 29 HA PRO 29 1.910 9.807 0.647 208 HB2 PRO 29 HB2 PRO 29 3.584 12.007 0.847 209 HB3 PRO 29 HB1 PRO 29 4.126 10.410 0.310 210 HG2 PRO 29 HG2 PRO 29 3.616 12.865 -1.310 211 HG3 PRO 29 HG1 PRO 29 4.732 11.529 -1.624 212 HD2 PRO 29 HD2 PRO 29 2.230 11.889 -2.878 213 HD3 PRO 29 HD1 PRO 29 3.183 10.387 -2.853 214 H THR 30 HN THR 30 0.322 12.243 -1.116 215 HA THR 30 HA THR 30 0.051 14.373 0.684 216 HB THR 30 HB THR 30 -1.980 14.943 -0.506 217 HG1 THR 30 HG1 THR 30 -2.492 13.089 -2.132 218 HG21 THR 30 HG21 THR 30 -0.058 13.505 -2.358 219 HG22 THR 30 HG22 THR 30 0.198 15.122 -1.704 220 HG23 THR 30 HG23 THR 30 -1.148 14.818 -2.802 221 H GLY 31 HN GLY 31 -1.822 11.344 0.624 222 HA2 GLY 31 HA2 GLY 31 -3.082 10.357 2.348 223 HA3 GLY 31 HA1 GLY 31 -2.296 11.476 3.457 224 H GLY 32 HN GLY 32 -3.409 13.682 1.502 225 HA2 GLY 32 HA2 GLY 32 -5.999 13.946 2.951 226 HA3 GLY 32 HA1 GLY 32 -5.157 15.247 2.105 227 H GLY 33 HN GLY 33 -4.727 13.044 -0.047 228 HA2 GLY 33 HA2 GLY 33 -7.254 12.383 -1.180 229 HA3 GLY 33 HA1 GLY 33 -6.692 13.896 -1.897 230 HA PRO 34 HA PRO 34 -3.145 10.882 -2.952 231 HB2 PRO 34 HB2 PRO 34 -3.359 8.286 -1.976 232 HB3 PRO 34 HB1 PRO 34 -2.473 9.578 -1.162 233 HG2 PRO 34 HG2 PRO 34 -5.154 8.429 -0.535 234 HG3 PRO 34 HG1 PRO 34 -3.959 9.144 0.564 235 HD2 PRO 34 HD2 PRO 34 -6.269 10.449 -0.316 236 HD3 PRO 34 HD1 PRO 34 -4.815 11.262 0.300 237 H ARG 35 HN ARG 35 -3.053 8.567 -4.196 238 HA ARG 35 HA ARG 35 -5.076 8.648 -6.222 239 HB2 ARG 35 HB2 ARG 35 -2.652 7.648 -6.257 240 HB3 ARG 35 HB1 ARG 35 -3.420 6.188 -5.640 241 HG2 ARG 35 HG2 ARG 35 -5.022 6.298 -7.583 242 HG3 ARG 35 HG1 ARG 35 -4.051 7.619 -8.236 243 HD2 ARG 35 HD2 ARG 35 -2.070 6.164 -8.285 244 HD3 ARG 35 HD1 ARG 35 -3.008 4.841 -7.591 245 HE ARG 35 HE ARG 35 -4.422 5.523 -9.873 246 HH11 ARG 35 HH21 ARG 35 -1.158 4.727 -9.099 247 HH12 ARG 35 HH22 ARG 35 -0.831 3.996 -10.634 248 HH21 ARG 35 HH11 ARG 35 -4.014 4.571 -11.884 249 HH22 ARG 35 HH12 ARG 35 -2.447 3.908 -12.211 250 H ARG 36 HN ARG 36 -7.109 8.488 -5.049 251 HA ARG 36 HA ARG 36 -7.732 6.418 -3.204 252 HB2 ARG 36 HB2 ARG 36 -9.991 7.199 -4.963 253 HB3 ARG 36 HB1 ARG 36 -9.839 7.319 -3.212 254 HG2 ARG 36 HG2 ARG 36 -9.894 9.555 -3.833 255 HG3 ARG 36 HG1 ARG 36 -8.164 9.273 -3.758 256 HD2 ARG 36 HD2 ARG 36 -8.664 8.564 -6.355 257 HD3 ARG 36 HD1 ARG 36 -9.885 9.812 -6.126 258 HE ARG 36 HE ARG 36 -7.154 10.307 -6.592 259 HH11 ARG 36 HH21 ARG 36 -9.544 11.152 -4.241 260 HH12 ARG 36 HH22 ARG 36 -8.686 12.548 -3.692 261 HH21 ARG 36 HH11 ARG 36 -6.051 12.132 -5.896 262 HH22 ARG 36 HH12 ARG 36 -6.718 13.107 -4.629 263 H GLY 37 HN GLY 37 -7.084 6.344 -6.501 264 HA2 GLY 37 HA2 GLY 37 -8.716 4.246 -7.462 265 HA3 GLY 37 HA1 GLY 37 -7.108 4.612 -8.078 266 H ILE 38 HN ILE 38 -5.915 4.098 -5.316 267 HA ILE 38 HA ILE 38 -5.908 1.129 -5.583 268 HB ILE 38 HB ILE 38 -3.794 2.851 -5.553 269 HG12 ILE 38 HG12 ILE 38 -3.381 0.665 -6.268 270 HG13 ILE 38 HG11 ILE 38 -2.398 0.781 -4.826 271 HG21 ILE 38 HG21 ILE 38 -2.577 2.630 -3.437 272 HG22 ILE 38 HG22 ILE 38 -3.954 1.820 -2.705 273 HG23 ILE 38 HG23 ILE 38 -4.084 3.501 -3.212 274 HD11 ILE 38 HD11 ILE 38 -3.418 -1.215 -4.358 275 HD12 ILE 38 HD12 ILE 38 -4.831 -0.864 -5.341 276 HD13 ILE 38 HD13 ILE 38 -4.683 -0.178 -3.725 277 H VAL 39 HN VAL 39 -5.805 3.540 -2.918 278 HA VAL 39 HA VAL 39 -6.335 1.627 -0.888 279 HB VAL 39 HB VAL 39 -7.178 4.521 -0.717 280 HG11 VAL 39 HG11 VAL 39 -7.707 2.968 1.160 281 HG12 VAL 39 HG12 VAL 39 -6.565 4.227 1.632 282 HG13 VAL 39 HG13 VAL 39 -5.989 2.593 1.302 283 HG21 VAL 39 HG21 VAL 39 -4.412 3.311 -0.826 284 HG22 VAL 39 HG22 VAL 39 -4.700 4.724 0.190 285 HG23 VAL 39 HG23 VAL 39 -5.001 4.812 -1.542 286 H GLU 40 HN GLU 40 -8.694 4.078 -2.073 287 HA GLU 40 HA GLU 40 -10.929 2.918 -0.813 288 HB2 GLU 40 HB2 GLU 40 -10.725 4.482 -3.392 289 HB3 GLU 40 HB1 GLU 40 -12.267 4.009 -2.682 290 HG2 GLU 40 HG2 GLU 40 -11.516 5.149 -0.543 291 HG3 GLU 40 HG1 GLU 40 -10.149 5.792 -1.454 292 H GLN 41 HN GLN 41 -9.717 2.283 -4.116 293 HA GLN 41 HA GLN 41 -11.661 0.527 -5.027 294 HB2 GLN 41 HB2 GLN 41 -9.557 1.246 -6.240 295 HB3 GLN 41 HB1 GLN 41 -8.696 -0.022 -5.363 296 HG2 GLN 41 HG2 GLN 41 -10.186 -1.718 -6.300 297 HG3 GLN 41 HG1 GLN 41 -11.141 -0.474 -7.104 298 HE21 GLN 41 HE21 GLN 41 -10.692 -0.737 -9.274 299 HE22 GLN 41 HE22 GLN 41 -9.135 -0.800 -9.929 300 H CYS 42 HN CYS 42 -8.736 -0.540 -3.249 301 HA CYS 42 HA CYS 42 -9.971 -3.159 -2.784 302 HB2 CYS 42 HB2 CYS 42 -7.342 -2.044 -1.780 303 HB3 CYS 42 HB1 CYS 42 -7.845 -3.733 -1.762 304 H CYS 43 HN CYS 43 -9.554 -0.192 -0.942 305 HA CYS 43 HA CYS 43 -10.148 -1.538 1.611 306 HB2 CYS 43 HB2 CYS 43 -8.689 0.461 1.631 307 HB3 CYS 43 HB1 CYS 43 -10.008 1.425 0.959 308 H HIS 44 HN HIS 44 -11.790 0.844 -0.483 309 HA HIS 44 HA HIS 44 -14.264 0.730 0.984 310 HB2 HIS 44 HB2 HIS 44 -13.482 2.544 -0.667 311 HB3 HIS 44 HB1 HIS 44 -14.001 1.446 -1.944 312 HD2 HIS 44 HD2 HIS 44 -16.872 0.828 -1.840 313 HE1 HIS 44 HE1 HIS 44 -17.788 4.211 0.517 314 HE2 HIS 44 HE2 HIS 44 -18.763 2.357 -0.923 315 H SER 45 HN SER 45 -12.863 -1.204 -1.585 316 HA SER 45 HA SER 45 -15.254 -3.008 -1.443 317 HB2 SER 45 HB2 SER 45 -15.614 -1.823 -3.487 318 HB3 SER 45 HB1 SER 45 -13.917 -1.946 -3.938 319 HG SER 45 HG SER 45 -14.698 -3.622 -4.993 320 H ILE 46 HN ILE 46 -14.688 -5.142 -2.588 321 HA ILE 46 HA ILE 46 -12.082 -6.068 -1.532 322 HB ILE 46 HB ILE 46 -14.180 -7.768 -2.894 323 HG12 ILE 46 HG12 ILE 46 -15.385 -6.408 -1.234 324 HG13 ILE 46 HG11 ILE 46 -15.257 -8.075 -0.689 325 HG21 ILE 46 HG21 ILE 46 -12.010 -8.788 -2.304 326 HG22 ILE 46 HG22 ILE 46 -13.333 -9.472 -1.362 327 HG23 ILE 46 HG23 ILE 46 -12.242 -8.296 -0.626 328 HD11 ILE 46 HD11 ILE 46 -13.249 -7.415 0.679 329 HD12 ILE 46 HD12 ILE 46 -14.740 -6.625 1.181 330 HD13 ILE 46 HD13 ILE 46 -13.557 -5.739 0.225 331 H CYS 47 HN CYS 47 -10.512 -5.441 -3.055 332 HA CYS 47 HA CYS 47 -11.022 -6.006 -5.929 333 HB2 CYS 47 HB2 CYS 47 -9.172 -4.627 -6.408 334 HB3 CYS 47 HB1 CYS 47 -9.915 -3.844 -5.017 335 H SER 48 HN SER 48 -9.578 -7.356 -7.152 336 HA SER 48 HA SER 48 -8.495 -9.599 -5.563 337 HB2 SER 48 HB2 SER 48 -8.226 -9.550 -8.541 338 HB3 SER 48 HB1 SER 48 -8.700 -10.871 -7.479 339 HG SER 48 HG SER 48 -10.238 -9.133 -8.830 340 H LEU 49 HN LEU 49 -6.299 -10.458 -6.278 341 HA LEU 49 HA LEU 49 -4.272 -8.536 -5.820 342 HB2 LEU 49 HB2 LEU 49 -3.907 -11.137 -7.327 343 HB3 LEU 49 HB1 LEU 49 -2.698 -10.275 -6.381 344 HG LEU 49 HG LEU 49 -5.127 -11.773 -5.374 345 HD11 LEU 49 HD11 LEU 49 -3.408 -12.884 -3.961 346 HD12 LEU 49 HD12 LEU 49 -2.163 -11.901 -4.730 347 HD13 LEU 49 HD13 LEU 49 -3.066 -13.082 -5.680 348 HD21 LEU 49 HD21 LEU 49 -5.183 -9.783 -4.059 349 HD22 LEU 49 HD22 LEU 49 -3.425 -9.705 -3.992 350 HD23 LEU 49 HD23 LEU 49 -4.286 -10.950 -3.089 351 H TYR 50 HN TYR 50 -5.711 -9.757 -8.760 352 HA TYR 50 HA TYR 50 -4.043 -8.961 -10.775 353 HB2 TYR 50 HB2 TYR 50 -6.483 -9.923 -10.740 354 HB3 TYR 50 HB1 TYR 50 -6.969 -8.231 -10.875 355 HD1 TYR 50 HD2 TYR 50 -5.044 -10.935 -12.396 356 HD2 TYR 50 HD1 TYR 50 -6.658 -7.016 -12.895 357 HE1 TYR 50 HE2 TYR 50 -4.531 -11.053 -14.834 358 HE2 TYR 50 HE1 TYR 50 -6.157 -7.101 -15.333 359 HH TYR 50 HH TYR 50 -5.818 -8.885 -17.078 360 H GLN 51 HN GLN 51 -6.520 -6.893 -9.312 361 HA GLN 51 HA GLN 51 -5.711 -4.490 -10.622 362 HB2 GLN 51 HB2 GLN 51 -6.894 -4.542 -7.840 363 HB3 GLN 51 HB1 GLN 51 -7.138 -3.362 -9.125 364 HG2 GLN 51 HG2 GLN 51 -8.178 -5.241 -10.501 365 HG3 GLN 51 HG1 GLN 51 -8.188 -6.192 -9.019 366 HE21 GLN 51 HE21 GLN 51 -8.968 -2.761 -9.766 367 HE22 GLN 51 HE22 GLN 51 -10.485 -2.786 -9.011 368 H LEU 52 HN LEU 52 -4.756 -5.898 -7.505 369 HA LEU 52 HA LEU 52 -3.067 -3.741 -6.727 370 HB2 LEU 52 HB2 LEU 52 -2.883 -6.683 -6.084 371 HB3 LEU 52 HB1 LEU 52 -1.962 -5.424 -5.268 372 HG LEU 52 HG LEU 52 -4.989 -5.634 -5.349 373 HD11 LEU 52 HD11 LEU 52 -4.793 -6.160 -3.005 374 HD12 LEU 52 HD12 LEU 52 -3.048 -5.918 -3.047 375 HD13 LEU 52 HD13 LEU 52 -3.776 -7.271 -3.919 376 HD21 LEU 52 HD21 LEU 52 -4.709 -3.343 -5.112 377 HD22 LEU 52 HD22 LEU 52 -3.100 -3.508 -4.425 378 HD23 LEU 52 HD23 LEU 52 -4.520 -3.809 -3.423 379 H GLU 53 HN GLU 53 -2.653 -6.472 -8.833 380 HA GLU 53 HA GLU 53 0.195 -6.201 -9.143 381 HB2 GLU 53 HB2 GLU 53 -1.783 -8.033 -9.941 382 HB3 GLU 53 HB1 GLU 53 -1.222 -7.351 -11.464 383 HG2 GLU 53 HG2 GLU 53 1.183 -7.825 -10.402 384 HG3 GLU 53 HG1 GLU 53 0.280 -8.987 -9.432 385 H ASN 54 HN ASN 54 -2.390 -4.320 -10.045 386 HA ASN 54 HA ASN 54 -1.412 -3.338 -12.596 387 HB2 ASN 54 HB2 ASN 54 -3.837 -3.308 -11.593 388 HB3 ASN 54 HB1 ASN 54 -3.313 -1.826 -10.794 389 HD21 ASN 54 HD21 ASN 54 -5.360 -1.921 -12.852 390 HD22 ASN 54 HD22 ASN 54 -4.786 -1.045 -14.185 391 H TYR 55 HN TYR 55 -0.934 -2.518 -9.229 392 HA TYR 55 HA TYR 55 0.527 -0.025 -9.984 393 HB2 TYR 55 HB2 TYR 55 -0.090 -0.999 -7.192 394 HB3 TYR 55 HB1 TYR 55 0.283 0.639 -7.717 395 HD1 TYR 55 HD2 TYR 55 -2.234 -2.021 -7.763 396 HD2 TYR 55 HD1 TYR 55 -1.384 2.047 -8.727 397 HE1 TYR 55 HE2 TYR 55 -4.668 -1.624 -8.148 398 HE2 TYR 55 HE1 TYR 55 -3.800 2.463 -9.128 399 HH TYR 55 HH TYR 55 -5.865 0.774 -9.833 400 H CYS 56 HN CYS 56 1.307 -3.191 -9.802 401 HA CYS 56 HA CYS 56 3.686 -2.973 -8.094 402 HB2 CYS 56 HB2 CYS 56 2.742 -5.132 -10.003 403 HB3 CYS 56 HB1 CYS 56 4.212 -5.243 -9.047 404 H ASN 57 HN ASN 57 5.229 -1.591 -8.883 405 HA ASN 57 HA ASN 57 6.734 -0.607 -10.399 406 HB2 ASN 57 HB2 ASN 57 7.794 -2.791 -10.209 407 HB3 ASN 57 HB1 ASN 57 6.685 -3.469 -11.402 408 HD21 ASN 57 HD21 ASN 57 9.802 -2.416 -11.155 409 HD22 ASN 57 HD22 ASN 57 10.048 -1.852 -12.737 Start of MODEL 18 1 H1 PHE 1 HT1 PHE 1 -6.602 -12.652 2.915 2 H2 PHE 1 HT2 PHE 1 -5.329 -11.821 3.672 3 H3 PHE 1 HT3 PHE 1 -5.015 -13.237 2.788 4 HA PHE 1 HA PHE 1 -5.634 -10.537 1.827 5 HB2 PHE 1 HB2 PHE 1 -3.315 -11.642 2.038 6 HB3 PHE 1 HB1 PHE 1 -3.785 -12.651 0.683 7 HD1 PHE 1 HD2 PHE 1 -5.448 -9.809 -0.236 8 HD2 PHE 1 HD1 PHE 1 -1.434 -11.135 0.444 9 HE1 PHE 1 HE2 PHE 1 -4.619 -8.088 -1.745 10 HE2 PHE 1 HE1 PHE 1 -0.603 -9.393 -1.071 11 HZ PHE 1 HZ PHE 1 -2.184 -7.860 -2.171 12 H VAL 2 HN VAL 2 -7.681 -12.667 1.838 13 HA VAL 2 HA VAL 2 -7.902 -13.370 -1.057 14 HB VAL 2 HB VAL 2 -9.863 -14.793 -0.013 15 HG11 VAL 2 HG11 VAL 2 -6.946 -15.413 0.537 16 HG12 VAL 2 HG12 VAL 2 -7.802 -15.745 -0.968 17 HG13 VAL 2 HG13 VAL 2 -8.254 -16.595 0.509 18 HG21 VAL 2 HG21 VAL 2 -8.114 -14.614 2.440 19 HG22 VAL 2 HG22 VAL 2 -9.770 -15.203 2.299 20 HG23 VAL 2 HG23 VAL 2 -9.441 -13.473 2.231 21 H ASN 3 HN ASN 3 -10.666 -13.158 1.060 22 HA ASN 3 HA ASN 3 -11.846 -11.090 -0.727 23 HB2 ASN 3 HB2 ASN 3 -13.280 -12.708 1.388 24 HB3 ASN 3 HB1 ASN 3 -13.984 -11.848 0.021 25 HD21 ASN 3 HD21 ASN 3 -14.420 -13.125 -1.765 26 HD22 ASN 3 HD22 ASN 3 -13.682 -14.615 -2.109 27 H GLN 4 HN GLN 4 -9.913 -10.567 1.517 28 HA GLN 4 HA GLN 4 -11.621 -9.059 3.426 29 HB2 GLN 4 HB2 GLN 4 -9.140 -8.591 4.350 30 HB3 GLN 4 HB1 GLN 4 -9.998 -10.085 4.703 31 HG2 GLN 4 HG2 GLN 4 -8.877 -11.213 2.835 32 HG3 GLN 4 HG1 GLN 4 -8.051 -9.712 2.409 33 HE21 GLN 4 HE21 GLN 4 -7.809 -12.554 4.276 34 HE22 GLN 4 HE22 GLN 4 -6.506 -12.089 5.255 35 H HIS 5 HN HIS 5 -11.094 -6.808 3.873 36 HA HIS 5 HA HIS 5 -10.489 -5.331 1.379 37 HB2 HIS 5 HB2 HIS 5 -11.279 -3.368 2.799 38 HB3 HIS 5 HB1 HIS 5 -12.485 -4.611 2.481 39 HD2 HIS 5 HD2 HIS 5 -10.650 -3.012 5.503 40 HE1 HIS 5 HE1 HIS 5 -12.908 -6.253 7.000 41 HE2 HIS 5 HE2 HIS 5 -11.517 -4.222 7.634 42 H LEU 6 HN LEU 6 -8.660 -4.134 1.105 43 HA LEU 6 HA LEU 6 -6.628 -4.151 3.280 44 HB2 LEU 6 HB2 LEU 6 -6.569 -3.829 0.294 45 HB3 LEU 6 HB1 LEU 6 -5.309 -3.051 1.221 46 HG LEU 6 HG LEU 6 -4.360 -5.056 1.919 47 HD11 LEU 6 HD11 LEU 6 -5.745 -7.282 1.595 48 HD12 LEU 6 HD12 LEU 6 -7.117 -6.188 1.708 49 HD13 LEU 6 HD13 LEU 6 -5.960 -6.292 3.033 50 HD21 LEU 6 HD21 LEU 6 -5.696 -5.660 -0.734 51 HD22 LEU 6 HD22 LEU 6 -4.420 -6.617 -0.030 52 HD23 LEU 6 HD23 LEU 6 -4.096 -4.959 -0.486 53 H CYS 7 HN CYS 7 -6.264 -2.332 4.443 54 HA CYS 7 HA CYS 7 -6.898 0.319 3.250 55 HB2 CYS 7 HB2 CYS 7 -7.950 -0.636 5.933 56 HB3 CYS 7 HB1 CYS 7 -8.109 1.001 5.296 57 H GLY 8 HN GLY 8 -5.212 1.641 3.618 58 HA2 GLY 8 HA2 GLY 8 -3.376 2.637 4.704 59 HA3 GLY 8 HA1 GLY 8 -3.861 1.794 6.174 60 H SER 9 HN SER 9 -1.715 1.169 6.678 61 HA SER 9 HA SER 9 0.254 0.057 5.078 62 HB2 SER 9 HB2 SER 9 -0.537 -0.893 7.848 63 HB3 SER 9 HB1 SER 9 1.015 -1.190 7.069 64 HG SER 9 HG SER 9 -0.109 1.222 7.999 65 H ASP 10 HN ASP 10 -2.742 -1.506 6.112 66 HA ASP 10 HA ASP 10 -2.155 -4.200 5.650 67 HB2 ASP 10 HB2 ASP 10 -4.625 -2.549 5.121 68 HB3 ASP 10 HB1 ASP 10 -4.596 -4.269 4.733 69 H LEU 11 HN LEU 11 -3.206 -1.788 3.232 70 HA LEU 11 HA LEU 11 -3.051 -3.449 0.969 71 HB2 LEU 11 HB2 LEU 11 -3.999 -1.213 0.774 72 HB3 LEU 11 HB1 LEU 11 -2.470 -0.483 1.246 73 HG LEU 11 HG LEU 11 -1.411 -1.213 -0.802 74 HD11 LEU 11 HD11 LEU 11 -3.970 -2.742 -1.229 75 HD12 LEU 11 HD12 LEU 11 -2.325 -3.377 -1.154 76 HD13 LEU 11 HD13 LEU 11 -2.827 -2.398 -2.518 77 HD21 LEU 11 HD21 LEU 11 -2.831 0.830 -0.946 78 HD22 LEU 11 HD22 LEU 11 -4.180 -0.181 -1.468 79 HD23 LEU 11 HD23 LEU 11 -2.741 -0.040 -2.477 80 H VAL 12 HN VAL 12 -0.507 -1.324 2.313 81 HA VAL 12 HA VAL 12 1.566 -1.901 0.538 82 HB VAL 12 HB VAL 12 1.930 -1.723 3.541 83 HG11 VAL 12 HG11 VAL 12 3.879 -2.299 1.932 84 HG12 VAL 12 HG12 VAL 12 4.115 -0.957 3.047 85 HG13 VAL 12 HG13 VAL 12 3.718 -0.639 1.360 86 HG21 VAL 12 HG21 VAL 12 1.679 0.516 1.511 87 HG22 VAL 12 HG22 VAL 12 2.027 0.713 3.226 88 HG23 VAL 12 HG23 VAL 12 0.457 0.100 2.710 89 H GLU 13 HN GLU 13 1.242 -3.578 3.691 90 HA GLU 13 HA GLU 13 3.041 -5.654 3.211 91 HB2 GLU 13 HB2 GLU 13 0.373 -5.971 4.616 92 HB3 GLU 13 HB1 GLU 13 1.815 -6.956 4.859 93 HG2 GLU 13 HG2 GLU 13 3.015 -4.800 5.520 94 HG3 GLU 13 HG1 GLU 13 1.423 -4.043 5.571 95 H ALA 14 HN ALA 14 -0.124 -5.183 1.831 96 HA ALA 14 HA ALA 14 -0.294 -7.929 0.816 97 HB1 ALA 14 HB1 ALA 14 -2.474 -7.359 0.745 98 HB2 ALA 14 HB2 ALA 14 -2.129 -6.235 -0.575 99 HB3 ALA 14 HB3 ALA 14 -2.080 -5.680 1.092 100 H LEU 15 HN LEU 15 0.112 -4.692 -0.753 101 HA LEU 15 HA LEU 15 0.612 -5.671 -3.335 102 HB2 LEU 15 HB2 LEU 15 1.777 -3.290 -1.892 103 HB3 LEU 15 HB1 LEU 15 2.196 -3.651 -3.563 104 HG LEU 15 HG LEU 15 -0.716 -3.495 -2.785 105 HD11 LEU 15 HD11 LEU 15 -0.779 -1.128 -3.122 106 HD12 LEU 15 HD12 LEU 15 0.889 -1.088 -3.686 107 HD13 LEU 15 HD13 LEU 15 0.542 -1.393 -1.988 108 HD21 LEU 15 HD21 LEU 15 0.747 -2.690 -5.315 109 HD22 LEU 15 HD22 LEU 15 -0.992 -2.879 -5.109 110 HD23 LEU 15 HD23 LEU 15 0.059 -4.290 -5.060 111 H TYR 16 HN TYR 16 2.729 -5.548 -0.519 112 HA TYR 16 HA TYR 16 5.214 -6.063 -1.686 113 HB2 TYR 16 HB2 TYR 16 4.971 -5.692 0.700 114 HB3 TYR 16 HB1 TYR 16 4.083 -7.203 0.875 115 HD1 TYR 16 HD2 TYR 16 7.306 -5.999 -0.651 116 HD2 TYR 16 HD1 TYR 16 5.309 -9.035 1.628 117 HE1 TYR 16 HE2 TYR 16 9.449 -7.218 -0.399 118 HE2 TYR 16 HE1 TYR 16 7.451 -10.259 1.882 119 HH TYR 16 HH TYR 16 10.484 -8.934 0.564 120 H LEU 17 HN LEU 17 2.772 -8.559 -0.777 121 HA LEU 17 HA LEU 17 4.350 -10.724 -1.866 122 HB2 LEU 17 HB2 LEU 17 1.338 -10.575 -1.535 123 HB3 LEU 17 HB1 LEU 17 2.271 -12.028 -1.821 124 HG LEU 17 HG LEU 17 3.537 -11.511 0.327 125 HD11 LEU 17 HD11 LEU 17 1.431 -9.369 0.387 126 HD12 LEU 17 HD12 LEU 17 3.108 -9.303 0.902 127 HD13 LEU 17 HD13 LEU 17 1.917 -10.115 1.905 128 HD21 LEU 17 HD21 LEU 17 1.495 -12.258 1.747 129 HD22 LEU 17 HD22 LEU 17 1.978 -13.296 0.406 130 HD23 LEU 17 HD23 LEU 17 0.598 -12.216 0.230 131 H VAL 18 HN VAL 18 1.542 -8.926 -3.091 132 HA VAL 18 HA VAL 18 1.253 -10.116 -5.600 133 HB VAL 18 HB VAL 18 1.037 -7.156 -5.006 134 HG11 VAL 18 HG11 VAL 18 -0.537 -8.813 -6.965 135 HG12 VAL 18 HG12 VAL 18 0.910 -7.915 -7.412 136 HG13 VAL 18 HG13 VAL 18 -0.501 -7.063 -6.810 137 HG21 VAL 18 HG21 VAL 18 -1.290 -7.612 -4.412 138 HG22 VAL 18 HG22 VAL 18 -0.221 -8.558 -3.378 139 HG23 VAL 18 HG23 VAL 18 -1.053 -9.329 -4.727 140 H CYS 19 HN CYS 19 3.160 -7.175 -4.946 141 HA CYS 19 HA CYS 19 4.455 -7.303 -7.543 142 HB2 CYS 19 HB2 CYS 19 5.405 -5.667 -5.198 143 HB3 CYS 19 HB1 CYS 19 5.490 -5.286 -6.913 144 H GLY 20 HN GLY 20 5.123 -8.538 -4.385 145 HA2 GLY 20 HA2 GLY 20 6.984 -9.691 -3.518 146 HA3 GLY 20 HA1 GLY 20 7.079 -10.363 -5.142 147 H GLU 21 HN GLU 21 9.071 -10.114 -5.992 148 HA GLU 21 HA GLU 21 10.931 -8.123 -4.947 149 HB2 GLU 21 HB2 GLU 21 11.129 -10.108 -7.226 150 HB3 GLU 21 HB1 GLU 21 12.457 -9.072 -6.703 151 HG2 GLU 21 HG2 GLU 21 12.229 -10.039 -4.402 152 HG3 GLU 21 HG1 GLU 21 11.025 -11.159 -5.039 153 H ARG 22 HN ARG 22 8.600 -8.170 -7.462 154 HA ARG 22 HA ARG 22 9.815 -6.533 -9.418 155 HB2 ARG 22 HB2 ARG 22 6.918 -6.432 -8.525 156 HB3 ARG 22 HB1 ARG 22 7.551 -5.895 -10.080 157 HG2 ARG 22 HG2 ARG 22 8.302 -8.211 -10.559 158 HG3 ARG 22 HG1 ARG 22 7.610 -8.739 -9.025 159 HD2 ARG 22 HD2 ARG 22 5.907 -9.223 -10.583 160 HD3 ARG 22 HD1 ARG 22 5.404 -7.677 -9.900 161 HE ARG 22 HE ARG 22 6.926 -6.958 -12.099 162 HH11 ARG 22 HH21 ARG 22 4.250 -9.041 -11.481 163 HH12 ARG 22 HH22 ARG 22 3.558 -8.841 -13.056 164 HH21 ARG 22 HH11 ARG 22 6.040 -6.686 -14.161 165 HH22 ARG 22 HH12 ARG 22 4.572 -7.507 -14.574 166 H GLY 23 HN GLY 23 8.536 -5.729 -6.252 167 HA2 GLY 23 HA2 GLY 23 8.855 -3.745 -5.019 168 HA3 GLY 23 HA1 GLY 23 9.799 -3.103 -6.368 169 H PHE 24 HN PHE 24 7.697 -1.659 -4.917 170 HA PHE 24 HA PHE 24 6.108 -0.875 -7.253 171 HB2 PHE 24 HB2 PHE 24 3.956 -1.283 -6.250 172 HB3 PHE 24 HB1 PHE 24 4.874 -2.784 -6.201 173 HD1 PHE 24 HD1 PHE 24 5.780 -3.653 -4.097 174 HD2 PHE 24 HD2 PHE 24 3.499 -0.013 -4.199 175 HE1 PHE 24 HE1 PHE 24 5.512 -3.749 -1.636 176 HE2 PHE 24 HE2 PHE 24 3.225 -0.122 -1.735 177 HZ PHE 24 HZ PHE 24 4.231 -1.985 -0.460 178 H PHE 25 HN PHE 25 4.572 0.922 -6.582 179 HA PHE 25 HA PHE 25 5.877 2.684 -4.535 180 HB2 PHE 25 HB2 PHE 25 5.008 4.568 -5.973 181 HB3 PHE 25 HB1 PHE 25 6.240 3.582 -6.762 182 HD1 PHE 25 HD1 PHE 25 2.593 4.270 -6.562 183 HD2 PHE 25 HD2 PHE 25 5.720 2.201 -8.662 184 HE1 PHE 25 HE1 PHE 25 1.000 3.724 -8.391 185 HE2 PHE 25 HE2 PHE 25 4.133 1.661 -10.489 186 HZ PHE 25 HZ PHE 25 1.777 2.421 -10.354 187 H TYR 26 HN TYR 26 4.520 3.479 -2.956 188 HA TYR 26 HA TYR 26 1.781 2.502 -2.885 189 HB2 TYR 26 HB2 TYR 26 3.357 3.066 -0.861 190 HB3 TYR 26 HB1 TYR 26 2.795 4.722 -1.097 191 HD1 TYR 26 HD1 TYR 26 1.442 1.226 -0.887 192 HD2 TYR 26 HD2 TYR 26 0.812 5.386 -0.002 193 HE1 TYR 26 HE1 TYR 26 -0.668 0.677 0.295 194 HE2 TYR 26 HE2 TYR 26 -1.286 4.819 1.185 195 HH TYR 26 HH TYR 26 -2.806 1.839 0.896 196 H THR 27 HN THR 27 -0.023 4.239 -2.475 197 HA THR 27 HA THR 27 -0.170 5.825 -4.845 198 HB THR 27 HB THR 27 -2.156 4.980 -3.672 199 HG1 THR 27 HG1 THR 27 -3.336 6.785 -4.029 200 HG21 THR 27 HG21 THR 27 -1.338 6.965 -1.533 201 HG22 THR 27 HG22 THR 27 -1.546 5.227 -1.366 202 HG23 THR 27 HG23 THR 27 -2.945 6.253 -1.644 203 H ASP 28 HN ASP 28 -0.752 8.298 -4.596 204 HA ASP 28 HA ASP 28 1.520 9.730 -4.140 205 HB2 ASP 28 HB2 ASP 28 -1.166 10.343 -4.691 206 HB3 ASP 28 HB1 ASP 28 -0.790 11.325 -3.279 207 HA PRO 29 HA PRO 29 2.092 9.849 0.306 208 HB2 PRO 29 HB2 PRO 29 3.617 12.146 0.537 209 HB3 PRO 29 HB1 PRO 29 4.256 10.606 -0.057 210 HG2 PRO 29 HG2 PRO 29 3.552 13.067 -1.594 211 HG3 PRO 29 HG1 PRO 29 4.750 11.819 -1.966 212 HD2 PRO 29 HD2 PRO 29 2.200 12.045 -3.161 213 HD3 PRO 29 HD1 PRO 29 3.259 10.618 -3.212 214 H THR 30 HN THR 30 0.328 12.206 -1.386 215 HA THR 30 HA THR 30 -0.074 14.287 0.437 216 HB THR 30 HB THR 30 -2.160 14.721 -0.716 217 HG1 THR 30 HG1 THR 30 -3.014 13.123 -2.091 218 HG21 THR 30 HG21 THR 30 -1.359 14.646 -3.040 219 HG22 THR 30 HG22 THR 30 -0.131 13.466 -2.587 220 HG23 THR 30 HG23 THR 30 -0.050 15.108 -1.952 221 H GLY 31 HN GLY 31 -1.737 11.132 0.391 222 HA2 GLY 31 HA2 GLY 31 -2.902 10.067 2.146 223 HA3 GLY 31 HA1 GLY 31 -2.209 11.266 3.231 224 H GLY 32 HN GLY 32 -3.486 13.336 1.226 225 HA2 GLY 32 HA2 GLY 32 -6.063 13.467 2.700 226 HA3 GLY 32 HA1 GLY 32 -5.346 14.778 1.765 227 H GLY 33 HN GLY 33 -4.773 13.054 -0.517 228 HA2 GLY 33 HA2 GLY 33 -7.245 11.880 -1.460 229 HA3 GLY 33 HA1 GLY 33 -6.965 13.472 -2.172 230 HA PRO 34 HA PRO 34 -3.090 11.064 -3.569 231 HB2 PRO 34 HB2 PRO 34 -2.749 8.507 -2.559 232 HB3 PRO 34 HB1 PRO 34 -2.053 9.950 -1.833 233 HG2 PRO 34 HG2 PRO 34 -4.430 8.359 -0.973 234 HG3 PRO 34 HG1 PRO 34 -3.275 9.273 0.013 235 HD2 PRO 34 HD2 PRO 34 -5.834 10.174 -0.639 236 HD3 PRO 34 HD1 PRO 34 -4.474 11.221 -0.176 237 H ARG 35 HN ARG 35 -2.731 8.702 -4.803 238 HA ARG 35 HA ARG 35 -4.827 8.495 -6.700 239 HB2 ARG 35 HB2 ARG 35 -2.351 7.591 -6.769 240 HB3 ARG 35 HB1 ARG 35 -3.048 6.132 -6.074 241 HG2 ARG 35 HG2 ARG 35 -4.710 6.119 -7.957 242 HG3 ARG 35 HG1 ARG 35 -3.800 7.430 -8.702 243 HD2 ARG 35 HD2 ARG 35 -1.743 5.801 -8.333 244 HD3 ARG 35 HD1 ARG 35 -2.989 4.556 -8.287 245 HE ARG 35 HE ARG 35 -1.949 5.764 -10.636 246 HH11 ARG 35 HH21 ARG 35 -5.009 5.042 -9.206 247 HH12 ARG 35 HH22 ARG 35 -5.881 5.213 -10.688 248 HH21 ARG 35 HH11 ARG 35 -3.072 5.957 -12.569 249 HH22 ARG 35 HH12 ARG 35 -4.788 5.717 -12.590 250 H ARG 36 HN ARG 36 -6.783 8.338 -5.412 251 HA ARG 36 HA ARG 36 -7.259 6.328 -3.458 252 HB2 ARG 36 HB2 ARG 36 -9.361 7.362 -5.373 253 HB3 ARG 36 HB1 ARG 36 -9.577 6.842 -3.702 254 HG2 ARG 36 HG2 ARG 36 -8.046 8.745 -3.021 255 HG3 ARG 36 HG1 ARG 36 -8.154 9.329 -4.677 256 HD2 ARG 36 HD2 ARG 36 -10.384 9.032 -2.666 257 HD3 ARG 36 HD1 ARG 36 -9.837 10.513 -3.440 258 HE ARG 36 HE ARG 36 -11.827 8.691 -4.432 259 HH11 ARG 36 HH21 ARG 36 -9.105 10.521 -5.520 260 HH12 ARG 36 HH22 ARG 36 -9.555 10.422 -7.188 261 HH21 ARG 36 HH11 ARG 36 -12.421 8.576 -6.588 262 HH22 ARG 36 HH12 ARG 36 -11.431 9.333 -7.791 263 H GLY 37 HN GLY 37 -7.271 6.280 -6.942 264 HA2 GLY 37 HA2 GLY 37 -8.727 4.078 -7.675 265 HA3 GLY 37 HA1 GLY 37 -7.149 4.419 -8.382 266 H ILE 38 HN ILE 38 -5.898 4.033 -5.606 267 HA ILE 38 HA ILE 38 -5.843 1.057 -5.756 268 HB ILE 38 HB ILE 38 -3.750 2.805 -5.834 269 HG12 ILE 38 HG12 ILE 38 -3.292 0.602 -6.446 270 HG13 ILE 38 HG11 ILE 38 -2.322 0.785 -5.003 271 HG21 ILE 38 HG21 ILE 38 -4.001 3.582 -3.537 272 HG22 ILE 38 HG22 ILE 38 -2.502 2.682 -3.717 273 HG23 ILE 38 HG23 ILE 38 -3.881 1.932 -2.931 274 HD11 ILE 38 HD11 ILE 38 -3.324 -1.198 -4.464 275 HD12 ILE 38 HD12 ILE 38 -4.732 -0.905 -5.472 276 HD13 ILE 38 HD13 ILE 38 -4.606 -0.153 -3.884 277 H VAL 39 HN VAL 39 -5.734 3.605 -3.236 278 HA VAL 39 HA VAL 39 -6.206 1.828 -1.081 279 HB VAL 39 HB VAL 39 -7.098 4.711 -1.102 280 HG11 VAL 39 HG11 VAL 39 -7.604 3.259 0.870 281 HG12 VAL 39 HG12 VAL 39 -6.511 4.587 1.260 282 HG13 VAL 39 HG13 VAL 39 -5.876 2.955 1.048 283 HG21 VAL 39 HG21 VAL 39 -4.321 3.526 -1.140 284 HG22 VAL 39 HG22 VAL 39 -4.620 4.994 -0.208 285 HG23 VAL 39 HG23 VAL 39 -4.926 4.977 -1.942 286 H GLU 40 HN GLU 40 -8.654 4.141 -2.376 287 HA GLU 40 HA GLU 40 -10.782 2.926 -0.954 288 HB2 GLU 40 HB2 GLU 40 -12.240 4.311 -2.153 289 HB3 GLU 40 HB1 GLU 40 -10.721 5.198 -2.170 290 HG2 GLU 40 HG2 GLU 40 -11.361 5.326 -4.415 291 HG3 GLU 40 HG1 GLU 40 -10.303 3.921 -4.417 292 H GLN 41 HN GLN 41 -9.563 2.217 -4.216 293 HA GLN 41 HA GLN 41 -11.593 0.499 -5.104 294 HB2 GLN 41 HB2 GLN 41 -9.521 1.154 -6.383 295 HB3 GLN 41 HB1 GLN 41 -8.625 -0.045 -5.451 296 HG2 GLN 41 HG2 GLN 41 -10.001 -1.833 -6.308 297 HG3 GLN 41 HG1 GLN 41 -11.107 -0.691 -7.068 298 HE21 GLN 41 HE21 GLN 41 -10.786 -1.077 -9.257 299 HE22 GLN 41 HE22 GLN 41 -9.280 -0.992 -10.022 300 H CYS 42 HN CYS 42 -8.665 -0.480 -3.306 301 HA CYS 42 HA CYS 42 -9.866 -3.095 -2.726 302 HB2 CYS 42 HB2 CYS 42 -7.237 -1.884 -1.834 303 HB3 CYS 42 HB1 CYS 42 -7.715 -3.572 -1.662 304 H CYS 43 HN CYS 43 -9.438 -0.034 -1.037 305 HA CYS 43 HA CYS 43 -10.018 -1.249 1.582 306 HB2 CYS 43 HB2 CYS 43 -8.530 0.758 1.380 307 HB3 CYS 43 HB1 CYS 43 -9.927 1.688 0.832 308 H HIS 44 HN HIS 44 -11.683 1.071 -0.581 309 HA HIS 44 HA HIS 44 -14.127 0.994 0.954 310 HB2 HIS 44 HB2 HIS 44 -13.358 2.794 -0.736 311 HB3 HIS 44 HB1 HIS 44 -13.954 1.699 -1.983 312 HD2 HIS 44 HD2 HIS 44 -16.838 0.964 -1.460 313 HE1 HIS 44 HE1 HIS 44 -17.567 4.674 0.425 314 HE2 HIS 44 HE2 HIS 44 -18.652 2.620 -0.609 315 H SER 45 HN SER 45 -12.771 -0.961 -1.601 316 HA SER 45 HA SER 45 -15.157 -2.760 -1.425 317 HB2 SER 45 HB2 SER 45 -14.544 -3.115 -4.027 318 HB3 SER 45 HB1 SER 45 -15.691 -1.888 -3.501 319 HG SER 45 HG SER 45 -14.267 -0.363 -3.912 320 H ILE 46 HN ILE 46 -14.631 -4.980 -2.109 321 HA ILE 46 HA ILE 46 -11.936 -5.728 -1.215 322 HB ILE 46 HB ILE 46 -14.019 -7.645 -2.280 323 HG12 ILE 46 HG12 ILE 46 -15.093 -6.017 -0.611 324 HG13 ILE 46 HG11 ILE 46 -15.175 -7.719 -0.194 325 HG21 ILE 46 HG21 ILE 46 -11.892 -8.621 -1.726 326 HG22 ILE 46 HG22 ILE 46 -13.041 -9.073 -0.471 327 HG23 ILE 46 HG23 ILE 46 -11.857 -7.804 -0.164 328 HD11 ILE 46 HD11 ILE 46 -13.782 -7.496 1.605 329 HD12 ILE 46 HD12 ILE 46 -14.354 -5.830 1.550 330 HD13 ILE 46 HD13 ILE 46 -12.799 -6.250 0.841 331 H CYS 47 HN CYS 47 -10.455 -5.245 -2.846 332 HA CYS 47 HA CYS 47 -11.077 -6.012 -5.639 333 HB2 CYS 47 HB2 CYS 47 -9.159 -4.767 -6.260 334 HB3 CYS 47 HB1 CYS 47 -9.866 -3.846 -4.935 335 H SER 48 HN SER 48 -9.410 -7.282 -6.856 336 HA SER 48 HA SER 48 -8.488 -9.584 -5.204 337 HB2 SER 48 HB2 SER 48 -8.034 -10.506 -7.622 338 HB3 SER 48 HB1 SER 48 -9.691 -10.402 -7.040 339 HG SER 48 HG SER 48 -9.418 -8.118 -8.019 340 H LEU 49 HN LEU 49 -6.310 -10.502 -5.866 341 HA LEU 49 HA LEU 49 -4.249 -8.589 -5.513 342 HB2 LEU 49 HB2 LEU 49 -3.932 -11.267 -6.890 343 HB3 LEU 49 HB1 LEU 49 -2.700 -10.374 -6.005 344 HG LEU 49 HG LEU 49 -5.126 -11.800 -4.896 345 HD11 LEU 49 HD11 LEU 49 -3.042 -13.105 -5.166 346 HD12 LEU 49 HD12 LEU 49 -3.416 -12.864 -3.459 347 HD13 LEU 49 HD13 LEU 49 -2.165 -11.891 -4.232 348 HD21 LEU 49 HD21 LEU 49 -3.408 -9.670 -3.631 349 HD22 LEU 49 HD22 LEU 49 -4.275 -10.862 -2.664 350 HD23 LEU 49 HD23 LEU 49 -5.169 -9.741 -3.688 351 H TYR 50 HN TYR 50 -5.739 -9.938 -8.362 352 HA TYR 50 HA TYR 50 -4.091 -9.269 -10.442 353 HB2 TYR 50 HB2 TYR 50 -6.544 -10.205 -10.308 354 HB3 TYR 50 HB1 TYR 50 -7.012 -8.520 -10.541 355 HD1 TYR 50 HD2 TYR 50 -5.144 -11.340 -11.921 356 HD2 TYR 50 HD1 TYR 50 -6.722 -7.439 -12.638 357 HE1 TYR 50 HE2 TYR 50 -4.682 -11.619 -14.355 358 HE2 TYR 50 HE1 TYR 50 -6.271 -7.687 -15.075 359 HH TYR 50 HH TYR 50 -5.464 -9.007 -16.669 360 H GLN 51 HN GLN 51 -6.550 -7.111 -9.080 361 HA GLN 51 HA GLN 51 -5.739 -4.781 -10.512 362 HB2 GLN 51 HB2 GLN 51 -6.905 -4.679 -7.724 363 HB3 GLN 51 HB1 GLN 51 -7.160 -3.575 -9.072 364 HG2 GLN 51 HG2 GLN 51 -8.208 -5.535 -10.328 365 HG3 GLN 51 HG1 GLN 51 -8.210 -6.391 -8.790 366 HE21 GLN 51 HE21 GLN 51 -8.998 -3.015 -9.754 367 HE22 GLN 51 HE22 GLN 51 -10.508 -2.989 -8.985 368 H LEU 52 HN LEU 52 -4.780 -6.021 -7.323 369 HA LEU 52 HA LEU 52 -3.077 -3.831 -6.670 370 HB2 LEU 52 HB2 LEU 52 -2.884 -6.740 -5.877 371 HB3 LEU 52 HB1 LEU 52 -1.970 -5.436 -5.128 372 HG LEU 52 HG LEU 52 -4.996 -5.673 -5.186 373 HD11 LEU 52 HD11 LEU 52 -4.784 -6.073 -2.815 374 HD12 LEU 52 HD12 LEU 52 -3.040 -5.827 -2.883 375 HD13 LEU 52 HD13 LEU 52 -3.769 -7.226 -3.677 376 HD21 LEU 52 HD21 LEU 52 -4.729 -3.371 -5.069 377 HD22 LEU 52 HD22 LEU 52 -3.118 -3.492 -4.380 378 HD23 LEU 52 HD23 LEU 52 -4.532 -3.749 -3.357 379 H GLU 53 HN GLU 53 -2.707 -6.667 -8.636 380 HA GLU 53 HA GLU 53 0.139 -6.445 -8.998 381 HB2 GLU 53 HB2 GLU 53 -1.875 -8.291 -9.673 382 HB3 GLU 53 HB1 GLU 53 -1.321 -7.698 -11.236 383 HG2 GLU 53 HG2 GLU 53 1.090 -8.152 -10.164 384 HG3 GLU 53 HG1 GLU 53 0.174 -9.258 -9.142 385 H ASN 54 HN ASN 54 -2.439 -4.585 -9.964 386 HA ASN 54 HA ASN 54 -1.486 -3.751 -12.576 387 HB2 ASN 54 HB2 ASN 54 -3.894 -3.634 -11.556 388 HB3 ASN 54 HB1 ASN 54 -3.342 -2.129 -10.821 389 HD21 ASN 54 HD21 ASN 54 -5.402 -2.339 -12.890 390 HD22 ASN 54 HD22 ASN 54 -4.831 -1.498 -14.246 391 H TYR 55 HN TYR 55 -0.956 -2.747 -9.263 392 HA TYR 55 HA TYR 55 0.531 -0.323 -10.180 393 HB2 TYR 55 HB2 TYR 55 -0.042 -1.125 -7.326 394 HB3 TYR 55 HB1 TYR 55 0.328 0.476 -7.957 395 HD1 TYR 55 HD2 TYR 55 -2.203 -2.176 -7.812 396 HD2 TYR 55 HD1 TYR 55 -1.355 1.839 -8.988 397 HE1 TYR 55 HE2 TYR 55 -4.640 -1.785 -8.176 398 HE2 TYR 55 HE1 TYR 55 -3.774 2.250 -9.365 399 HH TYR 55 HH TYR 55 -5.795 1.153 -9.693 400 H CYS 56 HN CYS 56 1.262 -3.486 -9.818 401 HA CYS 56 HA CYS 56 3.660 -3.224 -8.153 402 HB2 CYS 56 HB2 CYS 56 2.640 -5.436 -9.954 403 HB3 CYS 56 HB1 CYS 56 4.140 -5.543 -9.043 404 H ASN 57 HN ASN 57 5.253 -1.940 -8.996 405 HA ASN 57 HA ASN 57 6.791 -1.068 -10.548 406 HB2 ASN 57 HB2 ASN 57 7.733 -3.308 -10.348 407 HB3 ASN 57 HB1 ASN 57 6.572 -3.934 -11.519 408 HD21 ASN 57 HD21 ASN 57 9.541 -2.075 -11.159 409 HD22 ASN 57 HD22 ASN 57 9.882 -1.947 -12.817 Start of MODEL 19 1 H1 PHE 1 HT1 PHE 1 -5.215 -11.797 3.699 2 H2 PHE 1 HT2 PHE 1 -4.998 -13.236 2.822 3 H3 PHE 1 HT3 PHE 1 -6.552 -12.577 3.006 4 HA PHE 1 HA PHE 1 -5.593 -10.531 1.835 5 HB2 PHE 1 HB2 PHE 1 -3.269 -11.639 2.050 6 HB3 PHE 1 HB1 PHE 1 -3.748 -12.655 0.702 7 HD1 PHE 1 HD2 PHE 1 -5.421 -9.831 -0.230 8 HD2 PHE 1 HD1 PHE 1 -1.398 -11.130 0.458 9 HE1 PHE 1 HE2 PHE 1 -4.599 -8.107 -1.744 10 HE2 PHE 1 HE1 PHE 1 -0.575 -9.388 -1.063 11 HZ PHE 1 HZ PHE 1 -2.164 -7.868 -2.167 12 H VAL 2 HN VAL 2 -7.609 -12.718 1.907 13 HA VAL 2 HA VAL 2 -7.843 -13.467 -0.971 14 HB VAL 2 HB VAL 2 -9.806 -14.866 0.111 15 HG11 VAL 2 HG11 VAL 2 -7.815 -15.895 -0.838 16 HG12 VAL 2 HG12 VAL 2 -8.151 -16.641 0.725 17 HG13 VAL 2 HG13 VAL 2 -6.866 -15.442 0.578 18 HG21 VAL 2 HG21 VAL 2 -9.371 -13.505 2.324 19 HG22 VAL 2 HG22 VAL 2 -8.037 -14.633 2.546 20 HG23 VAL 2 HG23 VAL 2 -9.690 -15.235 2.429 21 H ASN 3 HN ASN 3 -10.606 -13.206 1.145 22 HA ASN 3 HA ASN 3 -11.785 -11.185 -0.696 23 HB2 ASN 3 HB2 ASN 3 -13.217 -12.794 1.426 24 HB3 ASN 3 HB1 ASN 3 -13.927 -11.937 0.060 25 HD21 ASN 3 HD21 ASN 3 -14.324 -13.194 -1.749 26 HD22 ASN 3 HD22 ASN 3 -13.589 -14.686 -2.086 27 H GLN 4 HN GLN 4 -9.884 -10.611 1.567 28 HA GLN 4 HA GLN 4 -11.630 -9.073 3.418 29 HB2 GLN 4 HB2 GLN 4 -9.167 -8.589 4.384 30 HB3 GLN 4 HB1 GLN 4 -10.029 -10.080 4.743 31 HG2 GLN 4 HG2 GLN 4 -8.869 -11.232 2.912 32 HG3 GLN 4 HG1 GLN 4 -8.038 -9.736 2.481 33 HE21 GLN 4 HE21 GLN 4 -7.721 -12.574 4.275 34 HE22 GLN 4 HE22 GLN 4 -6.479 -12.080 5.319 35 H HIS 5 HN HIS 5 -11.136 -6.821 3.833 36 HA HIS 5 HA HIS 5 -10.487 -5.376 1.336 37 HB2 HIS 5 HB2 HIS 5 -11.267 -3.387 2.781 38 HB3 HIS 5 HB1 HIS 5 -12.477 -4.592 2.354 39 HD2 HIS 5 HD2 HIS 5 -10.449 -3.446 5.538 40 HE1 HIS 5 HE1 HIS 5 -13.458 -6.142 6.771 41 HE2 HIS 5 HE2 HIS 5 -11.654 -4.537 7.567 42 H LEU 6 HN LEU 6 -8.682 -4.140 1.073 43 HA LEU 6 HA LEU 6 -6.650 -4.150 3.251 44 HB2 LEU 6 HB2 LEU 6 -6.591 -3.857 0.263 45 HB3 LEU 6 HB1 LEU 6 -5.333 -3.064 1.180 46 HG LEU 6 HG LEU 6 -4.388 -5.063 1.916 47 HD11 LEU 6 HD11 LEU 6 -6.013 -6.295 3.011 48 HD12 LEU 6 HD12 LEU 6 -5.756 -7.294 1.589 49 HD13 LEU 6 HD13 LEU 6 -7.139 -6.208 1.659 50 HD21 LEU 6 HD21 LEU 6 -4.092 -4.975 -0.485 51 HD22 LEU 6 HD22 LEU 6 -5.689 -5.681 -0.750 52 HD23 LEU 6 HD23 LEU 6 -4.419 -6.633 -0.027 53 H CYS 7 HN CYS 7 -6.333 -2.329 4.424 54 HA CYS 7 HA CYS 7 -6.942 0.318 3.201 55 HB2 CYS 7 HB2 CYS 7 -8.009 -0.614 5.887 56 HB3 CYS 7 HB1 CYS 7 -8.161 1.018 5.236 57 H GLY 8 HN GLY 8 -5.248 1.632 3.568 58 HA2 GLY 8 HA2 GLY 8 -3.415 2.630 4.659 59 HA3 GLY 8 HA1 GLY 8 -3.924 1.813 6.135 60 H SER 9 HN SER 9 -1.806 1.167 6.691 61 HA SER 9 HA SER 9 0.196 0.034 5.150 62 HB2 SER 9 HB2 SER 9 -0.710 -0.752 7.930 63 HB3 SER 9 HB1 SER 9 0.785 -1.326 7.198 64 HG SER 9 HG SER 9 1.293 0.504 8.323 65 H ASP 10 HN ASP 10 -2.827 -1.518 6.136 66 HA ASP 10 HA ASP 10 -2.240 -4.212 5.681 67 HB2 ASP 10 HB2 ASP 10 -4.701 -2.556 5.128 68 HB3 ASP 10 HB1 ASP 10 -4.670 -4.271 4.724 69 H LEU 11 HN LEU 11 -3.243 -1.795 3.250 70 HA LEU 11 HA LEU 11 -3.071 -3.456 0.987 71 HB2 LEU 11 HB2 LEU 11 -4.012 -1.218 0.790 72 HB3 LEU 11 HB1 LEU 11 -2.485 -0.493 1.276 73 HG LEU 11 HG LEU 11 -1.411 -1.209 -0.763 74 HD11 LEU 11 HD11 LEU 11 -2.805 -2.407 -2.494 75 HD12 LEU 11 HD12 LEU 11 -3.956 -2.757 -1.212 76 HD13 LEU 11 HD13 LEU 11 -2.309 -3.382 -1.122 77 HD21 LEU 11 HD21 LEU 11 -4.186 -0.166 -1.394 78 HD22 LEU 11 HD22 LEU 11 -2.788 -0.080 -2.465 79 HD23 LEU 11 HD23 LEU 11 -2.796 0.827 -0.953 80 H VAL 12 HN VAL 12 -0.541 -1.299 2.303 81 HA VAL 12 HA VAL 12 1.550 -1.892 0.571 82 HB VAL 12 HB VAL 12 1.887 -1.707 3.575 83 HG11 VAL 12 HG11 VAL 12 4.066 -0.931 3.103 84 HG12 VAL 12 HG12 VAL 12 3.678 -0.588 1.418 85 HG13 VAL 12 HG13 VAL 12 3.848 -2.256 1.963 86 HG21 VAL 12 HG21 VAL 12 0.413 0.105 2.821 87 HG22 VAL 12 HG22 VAL 12 1.534 0.496 1.520 88 HG23 VAL 12 HG23 VAL 12 2.008 0.753 3.197 89 H GLU 13 HN GLU 13 1.197 -3.571 3.725 90 HA GLU 13 HA GLU 13 3.012 -5.638 3.267 91 HB2 GLU 13 HB2 GLU 13 0.334 -5.821 4.681 92 HB3 GLU 13 HB1 GLU 13 1.631 -7.009 4.819 93 HG2 GLU 13 HG2 GLU 13 3.140 -5.144 5.609 94 HG3 GLU 13 HG1 GLU 13 1.718 -4.102 5.666 95 H ALA 14 HN ALA 14 -0.155 -5.192 1.874 96 HA ALA 14 HA ALA 14 -0.291 -7.927 0.835 97 HB1 ALA 14 HB1 ALA 14 -2.473 -7.366 0.755 98 HB2 ALA 14 HB2 ALA 14 -2.125 -6.243 -0.564 99 HB3 ALA 14 HB3 ALA 14 -2.088 -5.685 1.102 100 H LEU 15 HN LEU 15 0.106 -4.680 -0.721 101 HA LEU 15 HA LEU 15 0.628 -5.648 -3.301 102 HB2 LEU 15 HB2 LEU 15 1.772 -3.266 -1.847 103 HB3 LEU 15 HB1 LEU 15 2.206 -3.623 -3.515 104 HG LEU 15 HG LEU 15 -0.713 -3.482 -2.762 105 HD11 LEU 15 HD11 LEU 15 0.874 -1.061 -3.656 106 HD12 LEU 15 HD12 LEU 15 0.538 -1.372 -1.956 107 HD13 LEU 15 HD13 LEU 15 -0.790 -1.118 -3.083 108 HD21 LEU 15 HD21 LEU 15 0.076 -4.271 -5.030 109 HD22 LEU 15 HD22 LEU 15 0.771 -2.674 -5.278 110 HD23 LEU 15 HD23 LEU 15 -0.970 -2.855 -5.087 111 H TYR 16 HN TYR 16 2.724 -5.531 -0.471 112 HA TYR 16 HA TYR 16 5.217 -6.036 -1.626 113 HB2 TYR 16 HB2 TYR 16 4.956 -5.666 0.759 114 HB3 TYR 16 HB1 TYR 16 4.078 -7.183 0.928 115 HD1 TYR 16 HD2 TYR 16 7.300 -5.955 -0.581 116 HD2 TYR 16 HD1 TYR 16 5.314 -9.003 1.692 117 HE1 TYR 16 HE2 TYR 16 9.451 -7.158 -0.317 118 HE2 TYR 16 HE1 TYR 16 7.465 -10.211 1.960 119 HH TYR 16 HH TYR 16 10.479 -8.915 0.551 120 H LEU 17 HN LEU 17 2.792 -8.552 -0.715 121 HA LEU 17 HA LEU 17 4.382 -10.699 -1.816 122 HB2 LEU 17 HB2 LEU 17 1.367 -10.578 -1.501 123 HB3 LEU 17 HB1 LEU 17 2.319 -12.021 -1.776 124 HG LEU 17 HG LEU 17 3.559 -11.491 0.381 125 HD11 LEU 17 HD11 LEU 17 1.902 -10.097 1.936 126 HD12 LEU 17 HD12 LEU 17 1.455 -9.349 0.408 127 HD13 LEU 17 HD13 LEU 17 3.121 -9.291 0.961 128 HD21 LEU 17 HD21 LEU 17 1.491 -12.234 1.783 129 HD22 LEU 17 HD22 LEU 17 2.021 -13.285 0.472 130 HD23 LEU 17 HD23 LEU 17 0.631 -12.229 0.244 131 H VAL 18 HN VAL 18 1.566 -8.911 -3.048 132 HA VAL 18 HA VAL 18 1.295 -10.096 -5.563 133 HB VAL 18 HB VAL 18 1.069 -7.137 -4.961 134 HG11 VAL 18 HG11 VAL 18 0.959 -7.881 -7.369 135 HG12 VAL 18 HG12 VAL 18 -0.463 -7.042 -6.772 136 HG13 VAL 18 HG13 VAL 18 -0.485 -8.793 -6.938 137 HG21 VAL 18 HG21 VAL 18 -0.999 -9.331 -4.687 138 HG22 VAL 18 HG22 VAL 18 -1.272 -7.613 -4.404 139 HG23 VAL 18 HG23 VAL 18 -0.198 -8.521 -3.343 140 H CYS 19 HN CYS 19 3.177 -7.147 -4.891 141 HA CYS 19 HA CYS 19 4.501 -7.263 -7.471 142 HB2 CYS 19 HB2 CYS 19 5.432 -5.633 -5.116 143 HB3 CYS 19 HB1 CYS 19 5.515 -5.242 -6.829 144 H GLY 20 HN GLY 20 5.142 -8.503 -4.306 145 HA2 GLY 20 HA2 GLY 20 6.993 -9.667 -3.431 146 HA3 GLY 20 HA1 GLY 20 7.129 -10.305 -5.066 147 H GLU 21 HN GLU 21 9.148 -10.024 -5.845 148 HA GLU 21 HA GLU 21 10.929 -7.989 -4.743 149 HB2 GLU 21 HB2 GLU 21 11.238 -10.001 -6.985 150 HB3 GLU 21 HB1 GLU 21 12.523 -8.906 -6.473 151 HG2 GLU 21 HG2 GLU 21 12.330 -9.820 -4.162 152 HG3 GLU 21 HG1 GLU 21 11.130 -10.973 -4.748 153 H ARG 22 HN ARG 22 8.675 -8.102 -7.316 154 HA ARG 22 HA ARG 22 9.882 -6.451 -9.260 155 HB2 ARG 22 HB2 ARG 22 6.975 -6.358 -8.395 156 HB3 ARG 22 HB1 ARG 22 7.623 -5.832 -9.947 157 HG2 ARG 22 HG2 ARG 22 8.326 -8.122 -10.462 158 HG3 ARG 22 HG1 ARG 22 7.756 -8.671 -8.887 159 HD2 ARG 22 HD2 ARG 22 5.970 -9.203 -10.341 160 HD3 ARG 22 HD1 ARG 22 5.462 -7.687 -9.602 161 HE ARG 22 HE ARG 22 6.802 -6.886 -11.890 162 HH11 ARG 22 HH21 ARG 22 4.251 -9.072 -11.117 163 HH12 ARG 22 HH22 ARG 22 3.440 -8.872 -12.634 164 HH21 ARG 22 HH11 ARG 22 5.757 -6.611 -13.876 165 HH22 ARG 22 HH12 ARG 22 4.292 -7.478 -14.195 166 H GLY 23 HN GLY 23 8.559 -5.653 -6.111 167 HA2 GLY 23 HA2 GLY 23 8.849 -3.665 -4.876 168 HA3 GLY 23 HA1 GLY 23 9.809 -3.020 -6.211 169 H PHE 24 HN PHE 24 7.670 -1.595 -4.787 170 HA PHE 24 HA PHE 24 6.119 -0.811 -7.148 171 HB2 PHE 24 HB2 PHE 24 3.952 -1.238 -6.190 172 HB3 PHE 24 HB1 PHE 24 4.878 -2.733 -6.129 173 HD1 PHE 24 HD1 PHE 24 5.734 -3.612 -4.012 174 HD2 PHE 24 HD2 PHE 24 3.459 0.029 -4.141 175 HE1 PHE 24 HE1 PHE 24 5.418 -3.720 -1.557 176 HE2 PHE 24 HE2 PHE 24 3.137 -0.092 -1.685 177 HZ PHE 24 HZ PHE 24 4.116 -1.962 -0.399 178 H PHE 25 HN PHE 25 4.553 0.970 -6.494 179 HA PHE 25 HA PHE 25 5.820 2.741 -4.432 180 HB2 PHE 25 HB2 PHE 25 4.981 4.620 -5.871 181 HB3 PHE 25 HB1 PHE 25 6.182 3.614 -6.682 182 HD1 PHE 25 HD1 PHE 25 2.531 4.288 -6.378 183 HD2 PHE 25 HD2 PHE 25 5.625 2.312 -8.612 184 HE1 PHE 25 HE1 PHE 25 0.897 3.769 -8.176 185 HE2 PHE 25 HE2 PHE 25 3.996 1.797 -10.409 186 HZ PHE 25 HZ PHE 25 1.635 2.524 -10.192 187 H TYR 26 HN TYR 26 4.430 3.659 -2.928 188 HA TYR 26 HA TYR 26 1.702 2.611 -2.841 189 HB2 TYR 26 HB2 TYR 26 3.282 3.194 -0.818 190 HB3 TYR 26 HB1 TYR 26 2.686 4.838 -1.049 191 HD1 TYR 26 HD1 TYR 26 1.402 1.314 -0.853 192 HD2 TYR 26 HD2 TYR 26 0.695 5.457 0.053 193 HE1 TYR 26 HE1 TYR 26 -0.698 0.718 0.323 194 HE2 TYR 26 HE2 TYR 26 -1.394 4.846 1.235 195 HH TYR 26 HH TYR 26 -2.105 1.942 2.322 196 H THR 27 HN THR 27 -0.123 4.318 -2.451 197 HA THR 27 HA THR 27 -0.284 5.915 -4.816 198 HB THR 27 HB THR 27 -2.272 5.041 -3.665 199 HG1 THR 27 HG1 THR 27 -1.964 7.315 -4.769 200 HG21 THR 27 HG21 THR 27 -1.510 5.343 -1.351 201 HG22 THR 27 HG22 THR 27 -3.060 6.129 -1.595 202 HG23 THR 27 HG23 THR 27 -1.586 7.090 -1.534 203 H ASP 28 HN ASP 28 -0.927 8.362 -4.569 204 HA ASP 28 HA ASP 28 1.308 9.846 -4.058 205 HB2 ASP 28 HB2 ASP 28 -1.413 10.390 -4.649 206 HB3 ASP 28 HB1 ASP 28 -1.003 11.454 -3.308 207 HA PRO 29 HA PRO 29 1.707 9.957 0.413 208 HB2 PRO 29 HB2 PRO 29 3.265 12.230 0.678 209 HB3 PRO 29 HB1 PRO 29 3.898 10.669 0.134 210 HG2 PRO 29 HG2 PRO 29 3.298 13.117 -1.468 211 HG3 PRO 29 HG1 PRO 29 4.497 11.852 -1.766 212 HD2 PRO 29 HD2 PRO 29 2.019 12.081 -3.089 213 HD3 PRO 29 HD1 PRO 29 3.049 10.632 -3.045 214 H THR 30 HN THR 30 0.043 12.327 -1.368 215 HA THR 30 HA THR 30 -0.366 14.434 0.428 216 HB THR 30 HB THR 30 -2.401 14.911 -0.793 217 HG1 THR 30 HG1 THR 30 -2.164 12.342 -1.947 218 HG21 THR 30 HG21 THR 30 -0.248 15.230 -1.968 219 HG22 THR 30 HG22 THR 30 -1.533 14.788 -3.092 220 HG23 THR 30 HG23 THR 30 -0.349 13.583 -2.588 221 H GLY 31 HN GLY 31 -2.108 11.325 0.342 222 HA2 GLY 31 HA2 GLY 31 -3.358 10.296 2.053 223 HA3 GLY 31 HA1 GLY 31 -2.649 11.461 3.165 224 H GLY 32 HN GLY 32 -3.811 13.591 1.155 225 HA2 GLY 32 HA2 GLY 32 -6.446 13.761 2.537 226 HA3 GLY 32 HA1 GLY 32 -5.635 15.089 1.705 227 H GLY 33 HN GLY 33 -5.036 13.003 -0.475 228 HA2 GLY 33 HA2 GLY 33 -7.518 12.199 -1.647 229 HA3 GLY 33 HA1 GLY 33 -7.007 13.738 -2.347 230 HA PRO 34 HA PRO 34 -3.304 10.895 -3.359 231 HB2 PRO 34 HB2 PRO 34 -3.408 8.298 -2.368 232 HB3 PRO 34 HB1 PRO 34 -2.583 9.632 -1.560 233 HG2 PRO 34 HG2 PRO 34 -5.215 8.374 -0.931 234 HG3 PRO 34 HG1 PRO 34 -4.053 9.145 0.163 235 HD2 PRO 34 HD2 PRO 34 -6.411 10.349 -0.722 236 HD3 PRO 34 HD1 PRO 34 -4.986 11.226 -0.123 237 H ARG 35 HN ARG 35 -3.098 8.566 -4.580 238 HA ARG 35 HA ARG 35 -5.069 8.546 -6.639 239 HB2 ARG 35 HB2 ARG 35 -2.638 7.533 -6.562 240 HB3 ARG 35 HB1 ARG 35 -3.444 6.092 -5.948 241 HG2 ARG 35 HG2 ARG 35 -4.949 6.136 -7.944 242 HG3 ARG 35 HG1 ARG 35 -4.015 7.493 -8.576 243 HD2 ARG 35 HD2 ARG 35 -1.950 6.016 -8.360 244 HD3 ARG 35 HD1 ARG 35 -3.047 4.668 -8.057 245 HE ARG 35 HE ARG 35 -4.001 5.801 -10.406 246 HH11 ARG 35 HH21 ARG 35 -0.984 4.610 -9.232 247 HH12 ARG 35 HH22 ARG 35 -0.425 4.106 -10.792 248 HH21 ARG 35 HH11 ARG 35 -3.286 5.151 -12.450 249 HH22 ARG 35 HH12 ARG 35 -1.727 4.412 -12.613 250 H ARG 36 HN ARG 36 -7.144 8.407 -5.569 251 HA ARG 36 HA ARG 36 -7.848 6.430 -3.650 252 HB2 ARG 36 HB2 ARG 36 -9.976 7.168 -5.615 253 HB3 ARG 36 HB1 ARG 36 -9.993 7.247 -3.857 254 HG2 ARG 36 HG2 ARG 36 -9.964 9.506 -4.362 255 HG3 ARG 36 HG1 ARG 36 -8.240 9.202 -4.235 256 HD2 ARG 36 HD2 ARG 36 -9.881 9.799 -6.651 257 HD3 ARG 36 HD1 ARG 36 -8.210 10.234 -6.299 258 HE ARG 36 HE ARG 36 -8.134 7.481 -6.672 259 HH11 ARG 36 HH21 ARG 36 -9.296 10.224 -8.405 260 HH12 ARG 36 HH22 ARG 36 -9.020 9.522 -9.965 261 HH21 ARG 36 HH11 ARG 36 -7.764 6.548 -8.697 262 HH22 ARG 36 HH12 ARG 36 -8.152 7.441 -10.130 263 H GLY 37 HN GLY 37 -7.122 6.223 -6.943 264 HA2 GLY 37 HA2 GLY 37 -8.672 4.045 -7.840 265 HA3 GLY 37 HA1 GLY 37 -7.051 4.407 -8.423 266 H ILE 38 HN ILE 38 -5.885 4.041 -5.651 267 HA ILE 38 HA ILE 38 -5.871 1.064 -5.746 268 HB ILE 38 HB ILE 38 -3.764 2.808 -5.790 269 HG12 ILE 38 HG12 ILE 38 -3.328 0.602 -6.424 270 HG13 ILE 38 HG11 ILE 38 -2.359 0.772 -4.979 271 HG21 ILE 38 HG21 ILE 38 -4.046 3.549 -3.483 272 HG22 ILE 38 HG22 ILE 38 -2.547 2.651 -3.660 273 HG23 ILE 38 HG23 ILE 38 -3.939 1.890 -2.904 274 HD11 ILE 38 HD11 ILE 38 -3.370 -1.204 -4.439 275 HD12 ILE 38 HD12 ILE 38 -4.767 -0.910 -5.464 276 HD13 ILE 38 HD13 ILE 38 -4.660 -0.157 -3.874 277 H VAL 39 HN VAL 39 -5.789 3.615 -3.208 278 HA VAL 39 HA VAL 39 -6.322 1.800 -1.089 279 HB VAL 39 HB VAL 39 -7.190 4.690 -1.051 280 HG11 VAL 39 HG11 VAL 39 -7.689 3.195 0.892 281 HG12 VAL 39 HG12 VAL 39 -6.593 4.513 1.305 282 HG13 VAL 39 HG13 VAL 39 -5.961 2.886 1.055 283 HG21 VAL 39 HG21 VAL 39 -5.019 4.933 -1.914 284 HG22 VAL 39 HG22 VAL 39 -4.409 3.506 -1.074 285 HG23 VAL 39 HG23 VAL 39 -4.731 4.991 -0.178 286 H GLU 40 HN GLU 40 -8.694 4.170 -2.407 287 HA GLU 40 HA GLU 40 -10.923 3.058 -1.093 288 HB2 GLU 40 HB2 GLU 40 -10.713 4.496 -3.743 289 HB3 GLU 40 HB1 GLU 40 -12.260 4.031 -3.039 290 HG2 GLU 40 HG2 GLU 40 -11.542 5.280 -0.934 291 HG3 GLU 40 HG1 GLU 40 -10.200 5.923 -1.881 292 H GLN 41 HN GLN 41 -9.705 2.261 -4.360 293 HA GLN 41 HA GLN 41 -11.630 0.432 -5.167 294 HB2 GLN 41 HB2 GLN 41 -9.525 1.132 -6.413 295 HB3 GLN 41 HB1 GLN 41 -8.666 -0.108 -5.495 296 HG2 GLN 41 HG2 GLN 41 -9.326 -1.177 -7.520 297 HG3 GLN 41 HG1 GLN 41 -10.483 -1.732 -6.313 298 HE21 GLN 41 HE21 GLN 41 -12.370 -1.957 -7.513 299 HE22 GLN 41 HE22 GLN 41 -13.066 -0.713 -8.423 300 H CYS 42 HN CYS 42 -8.669 -0.506 -3.369 301 HA CYS 42 HA CYS 42 -9.864 -3.114 -2.755 302 HB2 CYS 42 HB2 CYS 42 -7.251 -1.914 -1.811 303 HB3 CYS 42 HB1 CYS 42 -7.726 -3.609 -1.714 304 H CYS 43 HN CYS 43 -9.480 -0.050 -1.092 305 HA CYS 43 HA CYS 43 -10.022 -1.254 1.538 306 HB2 CYS 43 HB2 CYS 43 -8.578 0.784 1.319 307 HB3 CYS 43 HB1 CYS 43 -9.995 1.680 0.766 308 H HIS 44 HN HIS 44 -11.725 1.003 -0.649 309 HA HIS 44 HA HIS 44 -14.173 0.942 0.859 310 HB2 HIS 44 HB2 HIS 44 -13.436 2.659 -0.914 311 HB3 HIS 44 HB1 HIS 44 -13.982 1.487 -2.109 312 HD2 HIS 44 HD2 HIS 44 -15.501 4.450 -0.705 313 HE1 HIS 44 HE1 HIS 44 -18.702 1.700 -0.582 314 HE2 HIS 44 HE2 HIS 44 -18.072 4.159 -0.437 315 H SER 45 HN SER 45 -12.801 -1.105 -1.639 316 HA SER 45 HA SER 45 -15.142 -2.951 -1.329 317 HB2 SER 45 HB2 SER 45 -15.591 -1.906 -3.429 318 HB3 SER 45 HB1 SER 45 -13.902 -1.994 -3.915 319 HG SER 45 HG SER 45 -14.713 -3.732 -4.875 320 H ILE 46 HN ILE 46 -14.530 -5.143 -2.369 321 HA ILE 46 HA ILE 46 -11.861 -5.888 -1.325 322 HB ILE 46 HB ILE 46 -13.816 -7.867 -2.502 323 HG12 ILE 46 HG12 ILE 46 -15.153 -6.303 -1.012 324 HG13 ILE 46 HG11 ILE 46 -15.123 -7.979 -0.486 325 HG21 ILE 46 HG21 ILE 46 -11.857 -7.891 -0.190 326 HG22 ILE 46 HG22 ILE 46 -11.738 -8.770 -1.714 327 HG23 ILE 46 HG23 ILE 46 -12.981 -9.201 -0.542 328 HD11 ILE 46 HD11 ILE 46 -13.526 -7.528 1.226 329 HD12 ILE 46 HD12 ILE 46 -14.729 -6.245 1.340 330 HD13 ILE 46 HD13 ILE 46 -13.174 -5.929 0.576 331 H CYS 47 HN CYS 47 -10.358 -5.332 -2.919 332 HA CYS 47 HA CYS 47 -10.918 -6.060 -5.740 333 HB2 CYS 47 HB2 CYS 47 -9.065 -4.716 -6.316 334 HB3 CYS 47 HB1 CYS 47 -9.794 -3.861 -4.963 335 H SER 48 HN SER 48 -9.537 -7.495 -6.924 336 HA SER 48 HA SER 48 -8.437 -9.670 -5.272 337 HB2 SER 48 HB2 SER 48 -7.930 -10.584 -7.687 338 HB3 SER 48 HB1 SER 48 -9.592 -10.528 -7.117 339 HG SER 48 HG SER 48 -8.610 -8.229 -8.322 340 H LEU 49 HN LEU 49 -6.237 -10.544 -5.892 341 HA LEU 49 HA LEU 49 -4.212 -8.600 -5.516 342 HB2 LEU 49 HB2 LEU 49 -3.841 -11.276 -6.886 343 HB3 LEU 49 HB1 LEU 49 -2.634 -10.368 -5.982 344 HG LEU 49 HG LEU 49 -5.066 -11.813 -4.909 345 HD11 LEU 49 HD11 LEU 49 -2.895 -13.046 -5.195 346 HD12 LEU 49 HD12 LEU 49 -3.421 -12.945 -3.514 347 HD13 LEU 49 HD13 LEU 49 -2.141 -11.884 -4.103 348 HD21 LEU 49 HD21 LEU 49 -5.131 -9.756 -3.699 349 HD22 LEU 49 HD22 LEU 49 -3.373 -9.677 -3.624 350 HD23 LEU 49 HD23 LEU 49 -4.243 -10.873 -2.664 351 H TYR 50 HN TYR 50 -5.646 -9.967 -8.387 352 HA TYR 50 HA TYR 50 -3.973 -9.272 -10.441 353 HB2 TYR 50 HB2 TYR 50 -6.413 -10.244 -10.352 354 HB3 TYR 50 HB1 TYR 50 -6.903 -8.565 -10.586 355 HD1 TYR 50 HD2 TYR 50 -4.980 -11.354 -11.947 356 HD2 TYR 50 HD1 TYR 50 -6.582 -7.464 -12.672 357 HE1 TYR 50 HE2 TYR 50 -4.466 -11.613 -14.373 358 HE2 TYR 50 HE1 TYR 50 -6.079 -7.691 -15.100 359 HH TYR 50 HH TYR 50 -4.070 -10.164 -16.326 360 H GLN 51 HN GLN 51 -6.474 -7.151 -9.101 361 HA GLN 51 HA GLN 51 -5.682 -4.809 -10.525 362 HB2 GLN 51 HB2 GLN 51 -6.876 -4.720 -7.749 363 HB3 GLN 51 HB1 GLN 51 -7.139 -3.627 -9.106 364 HG2 GLN 51 HG2 GLN 51 -8.151 -5.589 -10.366 365 HG3 GLN 51 HG1 GLN 51 -8.125 -6.470 -8.841 366 HE21 GLN 51 HE21 GLN 51 -9.014 -3.107 -9.762 367 HE22 GLN 51 HE22 GLN 51 -10.518 -3.132 -8.980 368 H LEU 52 HN LEU 52 -4.737 -6.039 -7.329 369 HA LEU 52 HA LEU 52 -3.064 -3.833 -6.659 370 HB2 LEU 52 HB2 LEU 52 -2.853 -6.741 -5.874 371 HB3 LEU 52 HB1 LEU 52 -1.942 -5.436 -5.120 372 HG LEU 52 HG LEU 52 -4.967 -5.680 -5.183 373 HD11 LEU 52 HD11 LEU 52 -3.016 -5.839 -2.877 374 HD12 LEU 52 HD12 LEU 52 -3.740 -7.237 -3.678 375 HD13 LEU 52 HD13 LEU 52 -4.760 -6.090 -2.814 376 HD21 LEU 52 HD21 LEU 52 -4.710 -3.378 -5.056 377 HD22 LEU 52 HD22 LEU 52 -3.096 -3.496 -4.369 378 HD23 LEU 52 HD23 LEU 52 -4.509 -3.761 -3.346 379 H GLU 53 HN GLU 53 -2.643 -6.666 -8.622 380 HA GLU 53 HA GLU 53 0.201 -6.410 -8.963 381 HB2 GLU 53 HB2 GLU 53 -1.790 -8.273 -9.660 382 HB3 GLU 53 HB1 GLU 53 -1.226 -7.671 -11.216 383 HG2 GLU 53 HG2 GLU 53 1.177 -8.106 -10.129 384 HG3 GLU 53 HG1 GLU 53 0.265 -9.217 -9.108 385 H ASN 54 HN ASN 54 -2.399 -4.582 -9.957 386 HA ASN 54 HA ASN 54 -1.428 -3.732 -12.556 387 HB2 ASN 54 HB2 ASN 54 -3.848 -3.641 -11.540 388 HB3 ASN 54 HB1 ASN 54 -3.315 -2.117 -10.831 389 HD21 ASN 54 HD21 ASN 54 -5.359 -2.454 -12.939 390 HD22 ASN 54 HD22 ASN 54 -4.797 -1.605 -14.295 391 H TYR 55 HN TYR 55 -0.936 -2.733 -9.239 392 HA TYR 55 HA TYR 55 0.532 -0.290 -10.132 393 HB2 TYR 55 HB2 TYR 55 -0.058 -1.116 -7.287 394 HB3 TYR 55 HB1 TYR 55 0.306 0.492 -7.902 395 HD1 TYR 55 HD2 TYR 55 -2.205 -2.174 -7.787 396 HD2 TYR 55 HD1 TYR 55 -1.379 1.848 -8.946 397 HE1 TYR 55 HE2 TYR 55 -4.642 -1.802 -8.164 398 HE2 TYR 55 HE1 TYR 55 -3.799 2.241 -9.337 399 HH TYR 55 HH TYR 55 -6.016 -0.141 -9.680 400 H CYS 56 HN CYS 56 1.282 -3.456 -9.757 401 HA CYS 56 HA CYS 56 3.671 -3.168 -8.084 402 HB2 CYS 56 HB2 CYS 56 2.673 -5.401 -9.870 403 HB3 CYS 56 HB1 CYS 56 4.169 -5.490 -8.951 404 H ASN 57 HN ASN 57 5.356 -2.000 -8.888 405 HA ASN 57 HA ASN 57 6.911 -1.142 -10.430 406 HB2 ASN 57 HB2 ASN 57 7.735 -3.439 -10.308 407 HB3 ASN 57 HB1 ASN 57 6.549 -3.952 -11.506 408 HD21 ASN 57 HD21 ASN 57 8.638 -1.032 -11.466 409 HD22 ASN 57 HD22 ASN 57 9.397 -1.367 -12.947 Start of MODEL 20 1 H1 PHE 1 HT1 PHE 1 -5.900 -11.641 3.437 2 H2 PHE 1 HT2 PHE 1 -5.115 -12.994 2.772 3 H3 PHE 1 HT3 PHE 1 -6.795 -12.812 2.598 4 HA PHE 1 HA PHE 1 -5.886 -10.518 1.538 5 HB2 PHE 1 HB2 PHE 1 -3.594 -11.724 1.801 6 HB3 PHE 1 HB1 PHE 1 -4.090 -12.695 0.428 7 HD1 PHE 1 HD2 PHE 1 -5.659 -9.853 -0.524 8 HD2 PHE 1 HD1 PHE 1 -1.685 -11.202 0.308 9 HE1 PHE 1 HE2 PHE 1 -4.758 -8.116 -1.985 10 HE2 PHE 1 HE1 PHE 1 -0.780 -9.455 -1.159 11 HZ PHE 1 HZ PHE 1 -2.304 -7.903 -2.308 12 H VAL 2 HN VAL 2 -7.920 -12.722 1.668 13 HA VAL 2 HA VAL 2 -8.148 -13.554 -1.178 14 HB VAL 2 HB VAL 2 -10.192 -14.820 -0.073 15 HG11 VAL 2 HG11 VAL 2 -8.568 -16.597 0.733 16 HG12 VAL 2 HG12 VAL 2 -7.270 -15.456 0.384 17 HG13 VAL 2 HG13 VAL 2 -8.306 -16.037 -0.919 18 HG21 VAL 2 HG21 VAL 2 -10.112 -15.102 2.265 19 HG22 VAL 2 HG22 VAL 2 -9.763 -13.384 2.081 20 HG23 VAL 2 HG23 VAL 2 -8.451 -14.521 2.377 21 H ASN 3 HN ASN 3 -10.950 -13.081 0.847 22 HA ASN 3 HA ASN 3 -11.982 -11.076 -1.107 23 HB2 ASN 3 HB2 ASN 3 -13.576 -12.626 0.943 24 HB3 ASN 3 HB1 ASN 3 -14.185 -11.759 -0.464 25 HD21 ASN 3 HD21 ASN 3 -14.538 -13.028 -2.275 26 HD22 ASN 3 HD22 ASN 3 -13.825 -14.541 -2.565 27 H GLN 4 HN GLN 4 -10.195 -10.522 1.247 28 HA GLN 4 HA GLN 4 -12.001 -8.930 2.991 29 HB2 GLN 4 HB2 GLN 4 -9.598 -8.483 4.086 30 HB3 GLN 4 HB1 GLN 4 -10.485 -9.972 4.389 31 HG2 GLN 4 HG2 GLN 4 -9.232 -11.128 2.635 32 HG3 GLN 4 HG1 GLN 4 -8.391 -9.632 2.223 33 HE21 GLN 4 HE21 GLN 4 -8.003 -12.462 3.930 34 HE22 GLN 4 HE22 GLN 4 -6.863 -11.944 5.073 35 H HIS 5 HN HIS 5 -11.502 -6.686 3.399 36 HA HIS 5 HA HIS 5 -10.694 -5.275 0.934 37 HB2 HIS 5 HB2 HIS 5 -11.663 -3.316 2.021 38 HB3 HIS 5 HB1 HIS 5 -12.788 -4.664 2.136 39 HD2 HIS 5 HD2 HIS 5 -12.122 -2.064 4.474 40 HE1 HIS 5 HE1 HIS 5 -11.578 -5.460 6.926 41 HE2 HIS 5 HE2 HIS 5 -11.950 -2.945 6.913 42 H LEU 6 HN LEU 6 -8.809 -4.154 0.743 43 HA LEU 6 HA LEU 6 -6.901 -4.204 3.019 44 HB2 LEU 6 HB2 LEU 6 -6.700 -3.827 0.046 45 HB3 LEU 6 HB1 LEU 6 -5.468 -3.092 1.043 46 HG LEU 6 HG LEU 6 -4.584 -5.130 1.732 47 HD11 LEU 6 HD11 LEU 6 -5.991 -7.323 1.331 48 HD12 LEU 6 HD12 LEU 6 -7.351 -6.211 1.400 49 HD13 LEU 6 HD13 LEU 6 -6.251 -6.347 2.770 50 HD21 LEU 6 HD21 LEU 6 -4.605 -6.661 -0.243 51 HD22 LEU 6 HD22 LEU 6 -4.228 -5.004 -0.658 52 HD23 LEU 6 HD23 LEU 6 -5.834 -5.663 -0.977 53 H CYS 7 HN CYS 7 -6.642 -2.428 4.268 54 HA CYS 7 HA CYS 7 -7.140 0.267 3.090 55 HB2 CYS 7 HB2 CYS 7 -8.321 -0.714 5.710 56 HB3 CYS 7 HB1 CYS 7 -8.444 0.929 5.077 57 H GLY 8 HN GLY 8 -5.450 1.549 3.565 58 HA2 GLY 8 HA2 GLY 8 -3.651 2.490 4.760 59 HA3 GLY 8 HA1 GLY 8 -4.214 1.616 6.184 60 H SER 9 HN SER 9 -2.075 0.969 6.747 61 HA SER 9 HA SER 9 -0.070 -0.149 5.200 62 HB2 SER 9 HB2 SER 9 -0.997 -1.068 7.936 63 HB3 SER 9 HB1 SER 9 0.542 -1.511 7.204 64 HG SER 9 HG SER 9 1.004 0.273 8.356 65 H ASP 10 HN ASP 10 -3.134 -1.667 6.069 66 HA ASP 10 HA ASP 10 -2.596 -4.367 5.593 67 HB2 ASP 10 HB2 ASP 10 -4.992 -2.650 4.932 68 HB3 ASP 10 HB1 ASP 10 -4.979 -4.374 4.565 69 H LEU 11 HN LEU 11 -3.439 -1.888 3.164 70 HA LEU 11 HA LEU 11 -3.215 -3.526 0.885 71 HB2 LEU 11 HB2 LEU 11 -4.104 -1.267 0.684 72 HB3 LEU 11 HB1 LEU 11 -2.582 -0.579 1.236 73 HG LEU 11 HG LEU 11 -1.446 -1.306 -0.770 74 HD11 LEU 11 HD11 LEU 11 -2.393 -3.443 -1.201 75 HD12 LEU 11 HD12 LEU 11 -2.818 -2.432 -2.569 76 HD13 LEU 11 HD13 LEU 11 -4.018 -2.771 -1.330 77 HD21 LEU 11 HD21 LEU 11 -2.684 0.775 -1.036 78 HD22 LEU 11 HD22 LEU 11 -4.159 -0.118 -1.407 79 HD23 LEU 11 HD23 LEU 11 -2.799 -0.158 -2.527 80 H VAL 12 HN VAL 12 -0.700 -1.426 2.320 81 HA VAL 12 HA VAL 12 1.450 -2.041 0.673 82 HB VAL 12 HB VAL 12 1.666 -1.911 3.692 83 HG11 VAL 12 HG11 VAL 12 3.680 -2.483 2.154 84 HG12 VAL 12 HG12 VAL 12 3.881 -1.181 3.322 85 HG13 VAL 12 HG13 VAL 12 3.572 -0.802 1.630 86 HG21 VAL 12 HG21 VAL 12 1.846 0.544 3.380 87 HG22 VAL 12 HG22 VAL 12 0.265 -0.053 2.882 88 HG23 VAL 12 HG23 VAL 12 1.479 0.343 1.669 89 H GLU 13 HN GLU 13 0.932 -3.759 3.779 90 HA GLU 13 HA GLU 13 2.716 -5.861 3.365 91 HB2 GLU 13 HB2 GLU 13 -0.034 -6.107 4.624 92 HB3 GLU 13 HB1 GLU 13 1.334 -7.188 4.892 93 HG2 GLU 13 HG2 GLU 13 2.636 -5.309 5.828 94 HG3 GLU 13 HG1 GLU 13 1.261 -4.233 5.573 95 H ALA 14 HN ALA 14 -0.400 -5.338 1.869 96 HA ALA 14 HA ALA 14 -0.541 -8.047 0.774 97 HB1 ALA 14 HB1 ALA 14 -2.277 -6.305 -0.678 98 HB2 ALA 14 HB2 ALA 14 -2.303 -5.771 0.997 99 HB3 ALA 14 HB3 ALA 14 -2.706 -7.439 0.607 100 H LEU 15 HN LEU 15 -0.021 -4.789 -0.719 101 HA LEU 15 HA LEU 15 0.599 -5.737 -3.285 102 HB2 LEU 15 HB2 LEU 15 1.717 -3.388 -1.758 103 HB3 LEU 15 HB1 LEU 15 2.209 -3.734 -3.412 104 HG LEU 15 HG LEU 15 -0.734 -3.560 -2.770 105 HD11 LEU 15 HD11 LEU 15 0.893 -1.141 -3.591 106 HD12 LEU 15 HD12 LEU 15 0.537 -1.473 -1.900 107 HD13 LEU 15 HD13 LEU 15 -0.777 -1.197 -3.037 108 HD21 LEU 15 HD21 LEU 15 0.120 -4.336 -5.014 109 HD22 LEU 15 HD22 LEU 15 0.861 -2.754 -5.219 110 HD23 LEU 15 HD23 LEU 15 -0.890 -2.896 -5.097 111 H TYR 16 HN TYR 16 2.576 -5.691 -0.368 112 HA TYR 16 HA TYR 16 5.107 -6.228 -1.425 113 HB2 TYR 16 HB2 TYR 16 4.757 -5.889 0.955 114 HB3 TYR 16 HB1 TYR 16 3.843 -7.390 1.062 115 HD1 TYR 16 HD2 TYR 16 7.148 -6.211 -0.298 116 HD2 TYR 16 HD1 TYR 16 5.010 -9.248 1.848 117 HE1 TYR 16 HE2 TYR 16 9.261 -7.463 0.033 118 HE2 TYR 16 HE1 TYR 16 7.123 -10.504 2.184 119 HH TYR 16 HH TYR 16 10.233 -9.192 1.052 120 H LEU 17 HN LEU 17 2.572 -8.689 -0.691 121 HA LEU 17 HA LEU 17 4.175 -10.860 -1.741 122 HB2 LEU 17 HB2 LEU 17 1.153 -10.679 -1.543 123 HB3 LEU 17 HB1 LEU 17 2.082 -12.138 -1.809 124 HG LEU 17 HG LEU 17 3.252 -11.678 0.400 125 HD11 LEU 17 HD11 LEU 17 1.573 -10.267 1.918 126 HD12 LEU 17 HD12 LEU 17 1.208 -9.479 0.388 127 HD13 LEU 17 HD13 LEU 17 2.852 -9.481 1.005 128 HD21 LEU 17 HD21 LEU 17 1.111 -12.387 1.713 129 HD22 LEU 17 HD22 LEU 17 1.672 -13.434 0.410 130 HD23 LEU 17 HD23 LEU 17 0.316 -12.344 0.140 131 H VAL 18 HN VAL 18 1.441 -9.005 -3.059 132 HA VAL 18 HA VAL 18 1.259 -10.146 -5.601 133 HB VAL 18 HB VAL 18 1.051 -7.192 -4.973 134 HG11 VAL 18 HG11 VAL 18 -0.440 -7.084 -6.834 135 HG12 VAL 18 HG12 VAL 18 -0.414 -8.830 -7.034 136 HG13 VAL 18 HG13 VAL 18 1.026 -7.878 -7.383 137 HG21 VAL 18 HG21 VAL 18 -1.069 -9.346 -4.811 138 HG22 VAL 18 HG22 VAL 18 -1.308 -7.628 -4.495 139 HG23 VAL 18 HG23 VAL 18 -0.295 -8.590 -3.421 140 H CYS 19 HN CYS 19 3.169 -7.244 -4.796 141 HA CYS 19 HA CYS 19 4.590 -7.336 -7.328 142 HB2 CYS 19 HB2 CYS 19 5.485 -5.788 -4.901 143 HB3 CYS 19 HB1 CYS 19 5.631 -5.361 -6.601 144 H GLY 20 HN GLY 20 5.067 -8.647 -4.161 145 HA2 GLY 20 HA2 GLY 20 6.795 -9.958 -3.264 146 HA3 GLY 20 HA1 GLY 20 7.079 -10.459 -4.928 147 H GLU 21 HN GLU 21 9.242 -10.273 -5.245 148 HA GLU 21 HA GLU 21 10.840 -8.227 -3.934 149 HB2 GLU 21 HB2 GLU 21 11.463 -10.225 -6.123 150 HB3 GLU 21 HB1 GLU 21 12.664 -9.148 -5.409 151 HG2 GLU 21 HG2 GLU 21 12.026 -10.087 -3.150 152 HG3 GLU 21 HG1 GLU 21 11.047 -11.284 -3.998 153 H ARG 22 HN ARG 22 8.904 -8.250 -6.729 154 HA ARG 22 HA ARG 22 10.404 -6.646 -8.515 155 HB2 ARG 22 HB2 ARG 22 7.415 -6.467 -8.031 156 HB3 ARG 22 HB1 ARG 22 8.274 -6.008 -9.500 157 HG2 ARG 22 HG2 ARG 22 8.842 -8.284 -9.990 158 HG3 ARG 22 HG1 ARG 22 8.363 -8.823 -8.391 159 HD2 ARG 22 HD2 ARG 22 6.204 -9.099 -9.047 160 HD3 ARG 22 HD1 ARG 22 6.124 -7.474 -9.700 161 HE ARG 22 HE ARG 22 6.283 -9.884 -11.213 162 HH11 ARG 22 HH21 ARG 22 7.847 -6.810 -11.044 163 HH12 ARG 22 HH22 ARG 22 8.392 -6.859 -12.686 164 HH21 ARG 22 HH11 ARG 22 6.981 -9.954 -13.343 165 HH22 ARG 22 HH12 ARG 22 7.902 -8.636 -13.986 166 H GLY 23 HN GLY 23 8.757 -5.832 -5.534 167 HA2 GLY 23 HA2 GLY 23 8.938 -3.844 -4.274 168 HA3 GLY 23 HA1 GLY 23 10.022 -3.202 -5.513 169 H PHE 24 HN PHE 24 7.791 -1.753 -4.308 170 HA PHE 24 HA PHE 24 6.441 -0.977 -6.795 171 HB2 PHE 24 HB2 PHE 24 4.192 -1.341 -5.971 172 HB3 PHE 24 HB1 PHE 24 5.079 -2.861 -5.886 173 HD1 PHE 24 HD1 PHE 24 5.811 -3.788 -3.742 174 HD2 PHE 24 HD2 PHE 24 3.603 -0.105 -3.933 175 HE1 PHE 24 HE1 PHE 24 5.368 -3.923 -1.308 176 HE2 PHE 24 HE2 PHE 24 3.154 -0.257 -1.497 177 HZ PHE 24 HZ PHE 24 4.037 -2.161 -0.191 178 H PHE 25 HN PHE 25 4.848 0.835 -6.274 179 HA PHE 25 HA PHE 25 6.001 2.606 -4.148 180 HB2 PHE 25 HB2 PHE 25 5.263 4.488 -5.602 181 HB3 PHE 25 HB1 PHE 25 6.433 3.448 -6.416 182 HD1 PHE 25 HD1 PHE 25 2.804 4.244 -6.122 183 HD2 PHE 25 HD2 PHE 25 5.843 2.193 -8.364 184 HE1 PHE 25 HE1 PHE 25 1.164 3.808 -7.941 185 HE2 PHE 25 HE2 PHE 25 4.211 1.761 -10.180 186 HZ PHE 25 HZ PHE 25 1.875 2.568 -9.968 187 H TYR 26 HN TYR 26 4.570 3.495 -2.688 188 HA TYR 26 HA TYR 26 1.830 2.465 -2.704 189 HB2 TYR 26 HB2 TYR 26 3.349 2.990 -0.622 190 HB3 TYR 26 HB1 TYR 26 2.793 4.649 -0.846 191 HD1 TYR 26 HD1 TYR 26 1.433 1.149 -0.736 192 HD2 TYR 26 HD2 TYR 26 0.781 5.292 0.204 193 HE1 TYR 26 HE1 TYR 26 -0.710 0.576 0.372 194 HE2 TYR 26 HE2 TYR 26 -1.352 4.707 1.317 195 HH TYR 26 HH TYR 26 -2.702 3.070 1.949 196 H THR 27 HN THR 27 0.015 4.211 -2.348 197 HA THR 27 HA THR 27 -0.032 5.827 -4.704 198 HB THR 27 HB THR 27 -2.092 5.032 -3.666 199 HG1 THR 27 HG1 THR 27 -1.755 7.839 -3.645 200 HG21 THR 27 HG21 THR 27 -1.380 5.160 -1.321 201 HG22 THR 27 HG22 THR 27 -2.884 6.035 -1.553 202 HG23 THR 27 HG23 THR 27 -1.365 6.918 -1.403 203 H ASP 28 HN ASP 28 -0.613 8.293 -4.460 204 HA ASP 28 HA ASP 28 1.628 9.727 -3.934 205 HB2 ASP 28 HB2 ASP 28 -1.094 10.342 -4.445 206 HB3 ASP 28 HB1 ASP 28 -0.621 11.375 -3.102 207 HA PRO 29 HA PRO 29 2.143 9.748 0.524 208 HB2 PRO 29 HB2 PRO 29 3.761 11.980 0.783 209 HB3 PRO 29 HB1 PRO 29 4.342 10.412 0.204 210 HG2 PRO 29 HG2 PRO 29 3.762 12.895 -1.353 211 HG3 PRO 29 HG1 PRO 29 4.925 11.607 -1.694 212 HD2 PRO 29 HD2 PRO 29 2.427 11.908 -2.959 213 HD3 PRO 29 HD1 PRO 29 3.420 10.433 -2.949 214 H THR 30 HN THR 30 0.495 12.186 -1.180 215 HA THR 30 HA THR 30 0.173 14.267 0.668 216 HB THR 30 HB THR 30 -1.878 14.811 -0.501 217 HG1 THR 30 HG1 THR 30 -2.815 12.755 -0.486 218 HG21 THR 30 HG21 THR 30 -1.060 14.720 -2.819 219 HG22 THR 30 HG22 THR 30 0.105 13.476 -2.368 220 HG23 THR 30 HG23 THR 30 0.260 15.106 -1.714 221 H GLY 31 HN GLY 31 -1.627 11.194 0.544 222 HA2 GLY 31 HA2 GLY 31 -2.857 10.139 2.251 223 HA3 GLY 31 HA1 GLY 31 -2.103 11.259 3.380 224 H GLY 32 HN GLY 32 -3.274 13.467 1.459 225 HA2 GLY 32 HA2 GLY 32 -5.865 13.643 2.918 226 HA3 GLY 32 HA1 GLY 32 -5.059 14.976 2.088 227 H GLY 33 HN GLY 33 -4.566 12.947 -0.164 228 HA2 GLY 33 HA2 GLY 33 -7.102 12.202 -1.267 229 HA3 GLY 33 HA1 GLY 33 -6.589 13.750 -1.949 230 HA PRO 34 HA PRO 34 -2.959 10.872 -3.125 231 HB2 PRO 34 HB2 PRO 34 -3.115 8.243 -2.217 232 HB3 PRO 34 HB1 PRO 34 -2.220 9.525 -1.402 233 HG2 PRO 34 HG2 PRO 34 -4.855 8.317 -0.706 234 HG3 PRO 34 HG1 PRO 34 -3.645 9.053 0.359 235 HD2 PRO 34 HD2 PRO 34 -6.016 10.302 -0.438 236 HD3 PRO 34 HD1 PRO 34 -4.567 11.144 0.152 237 H ARG 35 HN ARG 35 -2.799 8.597 -4.428 238 HA ARG 35 HA ARG 35 -4.722 8.665 -6.513 239 HB2 ARG 35 HB2 ARG 35 -2.358 7.541 -6.406 240 HB3 ARG 35 HB1 ARG 35 -3.224 6.139 -5.783 241 HG2 ARG 35 HG2 ARG 35 -4.652 6.103 -7.767 242 HG3 ARG 35 HG1 ARG 35 -3.848 7.536 -8.402 243 HD2 ARG 35 HD2 ARG 35 -1.662 6.053 -8.069 244 HD3 ARG 35 HD1 ARG 35 -2.807 4.719 -8.181 245 HE ARG 35 HE ARG 35 -1.785 6.200 -10.374 246 HH11 ARG 35 HH21 ARG 35 -4.835 5.148 -9.134 247 HH12 ARG 35 HH22 ARG 35 -5.665 5.390 -10.630 248 HH21 ARG 35 HH11 ARG 35 -2.854 6.491 -12.324 249 HH22 ARG 35 HH12 ARG 35 -4.546 6.139 -12.435 250 H ARG 36 HN ARG 36 -6.806 8.652 -5.426 251 HA ARG 36 HA ARG 36 -7.658 6.616 -3.631 252 HB2 ARG 36 HB2 ARG 36 -9.994 7.223 -4.669 253 HB3 ARG 36 HB1 ARG 36 -9.116 8.452 -3.759 254 HG2 ARG 36 HG2 ARG 36 -8.419 9.583 -5.697 255 HG3 ARG 36 HG1 ARG 36 -8.703 8.183 -6.730 256 HD2 ARG 36 HD2 ARG 36 -10.943 9.612 -5.283 257 HD3 ARG 36 HD1 ARG 36 -10.426 10.062 -6.907 258 HE ARG 36 HE ARG 36 -10.861 7.332 -7.087 259 HH11 ARG 36 HH21 ARG 36 -12.636 10.083 -6.005 260 HH12 ARG 36 HH22 ARG 36 -14.179 9.421 -6.434 261 HH21 ARG 36 HH11 ARG 36 -12.863 6.454 -7.655 262 HH22 ARG 36 HH12 ARG 36 -14.307 7.367 -7.368 263 H GLY 37 HN GLY 37 -6.582 6.273 -6.733 264 HA2 GLY 37 HA2 GLY 37 -8.483 4.341 -7.747 265 HA3 GLY 37 HA1 GLY 37 -6.876 4.647 -8.400 266 H ILE 38 HN ILE 38 -5.703 4.152 -5.606 267 HA ILE 38 HA ILE 38 -5.726 1.182 -5.851 268 HB ILE 38 HB ILE 38 -3.592 2.885 -5.784 269 HG12 ILE 38 HG12 ILE 38 -3.149 0.704 -6.477 270 HG13 ILE 38 HG11 ILE 38 -2.238 0.795 -4.989 271 HG21 ILE 38 HG21 ILE 38 -3.904 3.566 -3.465 272 HG22 ILE 38 HG22 ILE 38 -2.422 2.638 -3.633 273 HG23 ILE 38 HG23 ILE 38 -3.847 1.888 -2.931 274 HD11 ILE 38 HD11 ILE 38 -3.301 -1.184 -4.576 275 HD12 ILE 38 HD12 ILE 38 -4.650 -0.821 -5.643 276 HD13 ILE 38 HD13 ILE 38 -4.596 -0.140 -4.019 277 H VAL 39 HN VAL 39 -5.643 3.624 -3.217 278 HA VAL 39 HA VAL 39 -6.249 1.767 -1.163 279 HB VAL 39 HB VAL 39 -7.102 4.662 -1.084 280 HG11 VAL 39 HG11 VAL 39 -6.031 2.710 0.977 281 HG12 VAL 39 HG12 VAL 39 -7.702 3.255 0.832 282 HG13 VAL 39 HG13 VAL 39 -6.440 4.396 1.295 283 HG21 VAL 39 HG21 VAL 39 -4.907 4.920 -1.881 284 HG22 VAL 39 HG22 VAL 39 -4.328 3.464 -1.071 285 HG23 VAL 39 HG23 VAL 39 -4.661 4.923 -0.137 286 H GLU 40 HN GLU 40 -8.560 4.192 -2.477 287 HA GLU 40 HA GLU 40 -10.834 3.071 -1.251 288 HB2 GLU 40 HB2 GLU 40 -10.800 4.406 -3.967 289 HB3 GLU 40 HB1 GLU 40 -12.159 4.306 -2.849 290 HG2 GLU 40 HG2 GLU 40 -10.631 5.517 -1.159 291 HG3 GLU 40 HG1 GLU 40 -9.605 5.889 -2.544 292 H GLN 41 HN GLN 41 -9.556 2.369 -4.522 293 HA GLN 41 HA GLN 41 -11.510 0.617 -5.434 294 HB2 GLN 41 HB2 GLN 41 -9.382 1.299 -6.631 295 HB3 GLN 41 HB1 GLN 41 -8.547 0.039 -5.721 296 HG2 GLN 41 HG2 GLN 41 -9.170 -1.003 -7.765 297 HG3 GLN 41 HG1 GLN 41 -10.374 -1.554 -6.603 298 HE21 GLN 41 HE21 GLN 41 -12.253 -1.709 -7.811 299 HE22 GLN 41 HE22 GLN 41 -12.886 -0.457 -8.754 300 H CYS 42 HN CYS 42 -8.621 -0.424 -3.585 301 HA CYS 42 HA CYS 42 -9.863 -3.036 -3.096 302 HB2 CYS 42 HB2 CYS 42 -7.258 -1.873 -2.085 303 HB3 CYS 42 HB1 CYS 42 -7.757 -3.559 -1.966 304 H CYS 43 HN CYS 43 -9.482 -0.031 -1.318 305 HA CYS 43 HA CYS 43 -10.125 -1.298 1.258 306 HB2 CYS 43 HB2 CYS 43 -8.669 0.729 1.156 307 HB3 CYS 43 HB1 CYS 43 -10.044 1.650 0.538 308 H HIS 44 HN HIS 44 -11.754 1.028 -0.918 309 HA HIS 44 HA HIS 44 -14.255 0.878 0.526 310 HB2 HIS 44 HB2 HIS 44 -13.516 2.771 -0.997 311 HB3 HIS 44 HB1 HIS 44 -13.876 1.714 -2.358 312 HD2 HIS 44 HD2 HIS 44 -15.693 4.423 -0.781 313 HE1 HIS 44 HE1 HIS 44 -18.725 1.538 -1.340 314 HE2 HIS 44 HE2 HIS 44 -18.256 3.984 -0.826 315 H SER 45 HN SER 45 -12.770 -0.995 -2.021 316 HA SER 45 HA SER 45 -15.164 -2.793 -2.027 317 HB2 SER 45 HB2 SER 45 -13.640 -2.207 -4.564 318 HB3 SER 45 HB1 SER 45 -15.229 -2.941 -4.379 319 HG SER 45 HG SER 45 -14.566 -0.271 -3.665 320 H ILE 46 HN ILE 46 -14.632 -4.999 -2.662 321 HA ILE 46 HA ILE 46 -11.974 -5.790 -1.717 322 HB ILE 46 HB ILE 46 -13.972 -7.698 -2.938 323 HG12 ILE 46 HG12 ILE 46 -15.293 -6.172 -1.458 324 HG13 ILE 46 HG11 ILE 46 -15.223 -7.821 -0.854 325 HG21 ILE 46 HG21 ILE 46 -13.170 -9.109 -1.045 326 HG22 ILE 46 HG22 ILE 46 -12.040 -7.830 -0.608 327 HG23 ILE 46 HG23 ILE 46 -11.891 -8.647 -2.165 328 HD11 ILE 46 HD11 ILE 46 -13.487 -7.224 0.745 329 HD12 ILE 46 HD12 ILE 46 -14.843 -6.117 0.931 330 HD13 ILE 46 HD13 ILE 46 -13.394 -5.593 0.082 331 H CYS 47 HN CYS 47 -10.429 -5.257 -3.273 332 HA CYS 47 HA CYS 47 -10.947 -5.939 -6.111 333 HB2 CYS 47 HB2 CYS 47 -9.013 -4.672 -6.625 334 HB3 CYS 47 HB1 CYS 47 -9.780 -3.786 -5.311 335 H SER 48 HN SER 48 -9.397 -7.265 -7.307 336 HA SER 48 HA SER 48 -8.474 -9.568 -5.692 337 HB2 SER 48 HB2 SER 48 -7.887 -10.406 -8.108 338 HB3 SER 48 HB1 SER 48 -9.575 -10.315 -7.622 339 HG SER 48 HG SER 48 -8.113 -8.721 -9.382 340 H LEU 49 HN LEU 49 -6.265 -10.458 -6.265 341 HA LEU 49 HA LEU 49 -4.227 -8.552 -5.740 342 HB2 LEU 49 HB2 LEU 49 -3.852 -11.211 -7.142 343 HB3 LEU 49 HB1 LEU 49 -2.660 -10.342 -6.183 344 HG LEU 49 HG LEU 49 -5.152 -11.762 -5.219 345 HD11 LEU 49 HD11 LEU 49 -3.586 -12.952 -3.795 346 HD12 LEU 49 HD12 LEU 49 -2.269 -11.886 -4.283 347 HD13 LEU 49 HD13 LEU 49 -2.972 -13.008 -5.448 348 HD21 LEU 49 HD21 LEU 49 -5.235 -9.723 -3.980 349 HD22 LEU 49 HD22 LEU 49 -3.480 -9.669 -3.838 350 HD23 LEU 49 HD23 LEU 49 -4.400 -10.868 -2.930 351 H TYR 50 HN TYR 50 -5.573 -9.825 -8.687 352 HA TYR 50 HA TYR 50 -3.797 -9.151 -10.657 353 HB2 TYR 50 HB2 TYR 50 -6.259 -10.060 -10.691 354 HB3 TYR 50 HB1 TYR 50 -6.697 -8.366 -10.920 355 HD1 TYR 50 HD2 TYR 50 -4.760 -11.173 -12.230 356 HD2 TYR 50 HD1 TYR 50 -6.277 -7.255 -12.978 357 HE1 TYR 50 HE2 TYR 50 -4.142 -11.410 -14.634 358 HE2 TYR 50 HE1 TYR 50 -5.670 -7.459 -15.383 359 HH TYR 50 HH TYR 50 -4.343 -8.691 -16.844 360 H GLN 51 HN GLN 51 -6.296 -6.965 -9.401 361 HA GLN 51 HA GLN 51 -5.332 -4.650 -10.779 362 HB2 GLN 51 HB2 GLN 51 -6.724 -4.559 -8.092 363 HB3 GLN 51 HB1 GLN 51 -6.781 -3.382 -9.400 364 HG2 GLN 51 HG2 GLN 51 -7.778 -5.316 -10.830 365 HG3 GLN 51 HG1 GLN 51 -8.095 -6.091 -9.280 366 HE21 GLN 51 HE21 GLN 51 -10.039 -4.922 -11.279 367 HE22 GLN 51 HE22 GLN 51 -10.945 -3.784 -10.405 368 H LEU 52 HN LEU 52 -4.619 -5.935 -7.544 369 HA LEU 52 HA LEU 52 -2.933 -3.786 -6.748 370 HB2 LEU 52 HB2 LEU 52 -2.828 -6.713 -6.010 371 HB3 LEU 52 HB1 LEU 52 -1.920 -5.448 -5.191 372 HG LEU 52 HG LEU 52 -4.944 -5.610 -5.393 373 HD11 LEU 52 HD11 LEU 52 -3.811 -7.221 -3.864 374 HD12 LEU 52 HD12 LEU 52 -4.858 -6.074 -3.029 375 HD13 LEU 52 HD13 LEU 52 -3.109 -5.850 -3.001 376 HD21 LEU 52 HD21 LEU 52 -4.516 -3.734 -3.502 377 HD22 LEU 52 HD22 LEU 52 -4.640 -3.318 -5.209 378 HD23 LEU 52 HD23 LEU 52 -3.058 -3.486 -4.463 379 H GLU 53 HN GLU 53 -2.491 -6.552 -8.787 380 HA GLU 53 HA GLU 53 0.379 -6.348 -8.964 381 HB2 GLU 53 HB2 GLU 53 -1.593 -8.174 -9.788 382 HB3 GLU 53 HB1 GLU 53 -0.963 -7.547 -11.308 383 HG2 GLU 53 HG2 GLU 53 1.393 -8.029 -10.106 384 HG3 GLU 53 HG1 GLU 53 0.416 -9.173 -9.188 385 H ASN 54 HN ASN 54 -2.138 -4.457 -10.054 386 HA ASN 54 HA ASN 54 -1.011 -3.575 -12.581 387 HB2 ASN 54 HB2 ASN 54 -3.486 -3.461 -11.695 388 HB3 ASN 54 HB1 ASN 54 -2.967 -1.953 -10.942 389 HD21 ASN 54 HD21 ASN 54 -4.875 -2.329 -13.218 390 HD22 ASN 54 HD22 ASN 54 -4.231 -1.436 -14.506 391 H TYR 55 HN TYR 55 -0.702 -2.646 -9.220 392 HA TYR 55 HA TYR 55 0.859 -0.215 -9.977 393 HB2 TYR 55 HB2 TYR 55 0.098 -1.080 -7.185 394 HB3 TYR 55 HB1 TYR 55 0.517 0.532 -7.752 395 HD1 TYR 55 HD2 TYR 55 -2.039 -2.096 -7.812 396 HD2 TYR 55 HD1 TYR 55 -1.090 1.932 -8.862 397 HE1 TYR 55 HE2 TYR 55 -4.449 -1.674 -8.299 398 HE2 TYR 55 HE1 TYR 55 -3.483 2.373 -9.359 399 HH TYR 55 HH TYR 55 -5.980 0.155 -8.492 400 H CYS 56 HN CYS 56 1.536 -3.394 -9.646 401 HA CYS 56 HA CYS 56 3.820 -3.204 -7.822 402 HB2 CYS 56 HB2 CYS 56 2.862 -5.357 -9.721 403 HB3 CYS 56 HB1 CYS 56 4.333 -5.508 -8.769 404 H ASN 57 HN ASN 57 5.497 -1.941 -8.515 405 HA ASN 57 HA ASN 57 7.151 -1.057 -9.931 406 HB2 ASN 57 HB2 ASN 57 7.997 -3.348 -9.758 407 HB3 ASN 57 HB1 ASN 57 6.925 -3.864 -11.057 408 HD21 ASN 57 HD21 ASN 57 9.780 -1.862 -10.350 409 HD22 ASN 57 HD22 ASN 57 10.321 -1.768 -11.956
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