NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
546886 | 2lu7 | 18511 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H1 MET 1 -5.340 8.172 9.876 2 HA MET 1 HA MET 1 -6.300 6.549 7.598 3 HB2 MET 1 HB2 MET 1 -3.970 8.476 7.911 4 HB3 MET 1 HB3 MET 1 -4.024 7.286 6.616 5 HG2 MET 1 HG2 MET 1 -4.770 9.507 5.878 6 HG3 MET 1 HG3 MET 1 -6.032 8.287 5.708 7 HE1 MET 1 HE1 MET 1 -6.729 11.355 5.491 8 HE2 MET 1 HE2 MET 1 -8.154 11.468 6.523 9 HE3 MET 1 HE3 MET 1 -7.960 10.090 5.443 10 H THR 2 H THR 2 -5.308 4.615 7.237 11 HA THR 2 HA THR 2 -4.139 3.231 9.469 12 HB THR 2 HB THR 2 -4.496 2.241 6.594 13 HG1 THR 2 HG1 THR 2 -6.490 1.333 7.960 14 HG21 THR 2 HG21 THR 2 -4.775 -0.010 7.669 15 HG22 THR 2 HG22 THR 2 -4.321 0.707 9.222 16 HG23 THR 2 HG23 THR 2 -3.154 0.667 7.896 17 H ARG 3 H ARG 3 -2.058 3.853 9.974 18 HA ARG 3 HA ARG 3 -0.238 4.871 7.928 19 HB2 ARG 3 HB2 ARG 3 -0.780 5.890 10.295 20 HB3 ARG 3 HB3 ARG 3 0.376 4.725 10.908 21 HG2 ARG 3 HG2 ARG 3 1.084 6.752 8.769 22 HG3 ARG 3 HG3 ARG 3 1.203 7.122 10.485 23 HD2 ARG 3 HD2 ARG 3 2.908 5.412 10.785 24 HD3 ARG 3 HD3 ARG 3 2.695 4.855 9.120 25 HE ARG 3 HE ARG 3 3.407 7.233 8.518 26 HH11 ARG 3 HH11 ARG 3 4.721 5.554 11.256 27 HH12 ARG 3 HH12 ARG 3 6.185 6.469 11.216 28 HH21 ARG 3 HH21 ARG 3 5.255 8.374 8.529 29 HH22 ARG 3 HH22 ARG 3 6.497 8.029 9.682 30 H VAL 4 H VAL 4 1.588 3.882 7.174 31 HA VAL 4 HA VAL 4 2.801 1.619 8.668 32 HB VAL 4 HB VAL 4 2.494 1.747 5.627 33 HG11 VAL 4 HG11 VAL 4 3.907 -0.363 7.314 34 HG12 VAL 4 HG12 VAL 4 4.674 0.765 6.196 35 HG13 VAL 4 HG13 VAL 4 3.596 -0.485 5.578 36 HG21 VAL 4 HG21 VAL 4 0.413 1.042 6.745 37 HG22 VAL 4 HG22 VAL 4 1.288 -0.212 7.623 38 HG23 VAL 4 HG23 VAL 4 1.133 -0.308 5.867 39 H ARG 5 H ARG 5 5.049 1.522 8.640 40 HA ARG 5 HA ARG 5 6.531 3.899 7.646 41 HB2 ARG 5 HB2 ARG 5 6.089 3.845 10.137 42 HB3 ARG 5 HB3 ARG 5 7.002 2.345 10.234 43 HG2 ARG 5 HG2 ARG 5 9.020 3.583 9.411 44 HG3 ARG 5 HG3 ARG 5 8.073 5.074 9.444 45 HD2 ARG 5 HD2 ARG 5 7.664 4.655 11.907 46 HD3 ARG 5 HD3 ARG 5 8.815 3.316 11.809 47 HE ARG 5 HE ARG 5 9.517 6.123 11.219 48 HH11 ARG 5 HH11 ARG 5 10.399 3.100 12.660 49 HH12 ARG 5 HH12 ARG 5 11.894 3.729 13.259 50 HH21 ARG 5 HH21 ARG 5 11.394 6.884 11.985 51 HH22 ARG 5 HH22 ARG 5 12.441 5.848 12.897 52 H SER 6 H SER 6 8.485 3.483 6.613 53 HA SER 6 HA SER 6 9.686 0.778 6.688 54 HB2 SER 6 HB2 SER 6 8.241 0.927 4.635 55 HB3 SER 6 HB3 SER 6 9.181 2.318 4.096 56 HG SER 6 HG SER 6 9.748 -0.349 3.933 57 H THR 7 H THR 7 11.889 0.940 5.336 58 HA THR 7 HA THR 7 13.315 3.444 6.035 59 HB THR 7 HB THR 7 15.369 1.825 6.368 60 HG1 THR 7 HG1 THR 7 14.387 -0.194 7.422 61 HG21 THR 7 HG21 THR 7 14.869 1.581 8.771 62 HG22 THR 7 HG22 THR 7 13.177 1.980 8.463 63 HG23 THR 7 HG23 THR 7 14.438 3.190 8.175 64 HA PRO 8 HA PRO 8 14.534 3.706 1.824 65 HB2 PRO 8 HB2 PRO 8 16.809 5.194 1.928 66 HB3 PRO 8 HB3 PRO 8 15.236 5.836 2.427 67 HG2 PRO 8 HG2 PRO 8 17.418 4.679 4.162 68 HG3 PRO 8 HG3 PRO 8 16.552 6.224 4.342 69 HD2 PRO 8 HD2 PRO 8 15.819 4.030 5.741 70 HD3 PRO 8 HD3 PRO 8 14.612 5.191 5.145 71 H GLY 9 H GLY 9 14.827 1.459 1.440 72 HA2 GLY 9 HA2 GLY 9 16.762 0.511 -0.064 73 HA3 GLY 9 HA3 GLY 9 17.555 0.335 1.495 74 H GLY 10 H GLY 10 14.911 -0.238 2.804 75 HA2 GLY 10 HA2 GLY 10 14.958 -3.118 2.506 76 HA3 GLY 10 HA3 GLY 10 13.972 -2.185 3.618 77 H ASP 11 H ASP 11 12.302 -3.767 3.084 78 HA ASP 11 HA ASP 11 10.956 -3.355 0.477 79 HB2 ASP 11 HB2 ASP 11 9.652 -5.397 1.057 80 HB3 ASP 11 HB3 ASP 11 11.383 -5.701 1.036 81 H LEU 12 H LEU 12 8.636 -3.065 0.458 82 HA LEU 12 HA LEU 12 7.528 -1.679 2.839 83 HB2 LEU 12 HB2 LEU 12 8.012 -0.147 0.935 84 HB3 LEU 12 HB3 LEU 12 6.988 -1.124 -0.108 85 HG LEU 12 HG LEU 12 5.019 -0.551 1.322 86 HD11 LEU 12 HD11 LEU 12 6.158 -0.161 3.451 87 HD12 LEU 12 HD12 LEU 12 5.183 1.232 3.003 88 HD13 LEU 12 HD13 LEU 12 6.935 1.285 2.798 89 HD21 LEU 12 HD21 LEU 12 6.508 1.858 0.222 90 HD22 LEU 12 HD22 LEU 12 4.776 1.774 0.555 91 HD23 LEU 12 HD23 LEU 12 5.479 0.758 -0.700 92 H GLU 13 H GLU 13 6.114 -3.109 3.756 93 HA GLU 13 HA GLU 13 4.170 -4.537 2.017 94 HB2 GLU 13 HB2 GLU 13 5.704 -6.111 3.161 95 HB3 GLU 13 HB3 GLU 13 5.283 -5.410 4.717 96 HG2 GLU 13 HG2 GLU 13 2.963 -6.194 4.462 97 HG3 GLU 13 HG3 GLU 13 3.366 -6.880 2.889 98 H LEU 14 H LEU 14 2.234 -3.592 2.148 99 HA LEU 14 HA LEU 14 1.283 -2.273 4.623 100 HB2 LEU 14 HB2 LEU 14 -0.050 -2.152 1.887 101 HB3 LEU 14 HB3 LEU 14 -0.277 -1.072 3.249 102 HG LEU 14 HG LEU 14 2.083 -1.190 1.348 103 HD11 LEU 14 HD11 LEU 14 1.467 1.122 0.834 104 HD12 LEU 14 HD12 LEU 14 0.112 1.027 1.962 105 HD13 LEU 14 HD13 LEU 14 0.134 0.016 0.514 106 HD21 LEU 14 HD21 LEU 14 3.008 -0.826 3.570 107 HD22 LEU 14 HD22 LEU 14 1.870 0.492 3.857 108 HD23 LEU 14 HD23 LEU 14 3.109 0.646 2.610 109 H VAL 15 H VAL 15 0.385 -3.951 5.833 110 HA VAL 15 HA VAL 15 -1.664 -5.688 4.565 111 HB VAL 15 HB VAL 15 -0.328 -5.992 7.304 112 HG11 VAL 15 HG11 VAL 15 -2.239 -7.884 5.867 113 HG12 VAL 15 HG12 VAL 15 -2.597 -6.944 7.315 114 HG13 VAL 15 HG13 VAL 15 -1.397 -8.234 7.381 115 HG21 VAL 15 HG21 VAL 15 0.877 -7.916 6.307 116 HG22 VAL 15 HG22 VAL 15 1.266 -6.412 5.474 117 HG23 VAL 15 HG23 VAL 15 0.151 -7.562 4.737 118 H VAL 16 H VAL 16 -3.746 -5.145 4.863 119 HA VAL 16 HA VAL 16 -4.458 -3.173 6.954 120 HB VAL 16 HB VAL 16 -6.599 -3.891 4.979 121 HG11 VAL 16 HG11 VAL 16 -6.977 -1.448 4.985 122 HG12 VAL 16 HG12 VAL 16 -5.547 -1.231 5.996 123 HG13 VAL 16 HG13 VAL 16 -6.939 -2.115 6.620 124 HG21 VAL 16 HG21 VAL 16 -4.742 -3.959 3.423 125 HG22 VAL 16 HG22 VAL 16 -4.143 -2.409 4.001 126 HG23 VAL 16 HG23 VAL 16 -5.685 -2.494 3.150 127 H HIS 17 H HIS 17 -6.061 -3.551 8.451 128 HA HIS 17 HA HIS 17 -7.705 -5.995 8.210 129 HB2 HIS 17 HB2 HIS 17 -6.391 -4.913 10.731 130 HB3 HIS 17 HB3 HIS 17 -7.753 -6.031 10.781 131 HD1 HIS 17 HD1 HIS 17 -4.094 -5.903 10.190 132 HD2 HIS 17 HD2 HIS 17 -7.168 -8.669 9.805 133 HE1 HIS 17 HE1 HIS 17 -2.966 -8.105 9.806 134 HE2 HIS 17 HE2 HIS 17 -4.836 -9.781 9.786 135 H LEU 18 H LEU 18 -8.456 -3.797 7.004 136 HA LEU 18 HA LEU 18 -10.310 -2.208 8.481 137 HB2 LEU 18 HB2 LEU 18 -11.135 -1.535 6.176 138 HB3 LEU 18 HB3 LEU 18 -9.465 -1.213 6.536 139 HG LEU 18 HG LEU 18 -8.782 -3.145 5.106 140 HD11 LEU 18 HD11 LEU 18 -11.688 -3.370 4.304 141 HD12 LEU 18 HD12 LEU 18 -10.751 -4.570 5.198 142 HD13 LEU 18 HD13 LEU 18 -10.324 -4.189 3.533 143 HD21 LEU 18 HD21 LEU 18 -9.229 -2.048 2.946 144 HD22 LEU 18 HD22 LEU 18 -8.807 -0.877 4.191 145 HD23 LEU 18 HD23 LEU 18 -10.492 -1.068 3.699 146 H SER 19 H SER 19 -12.679 -2.094 7.706 147 HA SER 19 HA SER 19 -13.953 -4.629 8.438 148 HB2 SER 19 HB2 SER 19 -15.182 -1.846 8.179 149 HB3 SER 19 HB3 SER 19 -15.918 -3.245 8.959 150 HG SER 19 HG SER 19 -14.437 -1.429 10.091 151 H GLY 20 H GLY 20 -12.974 -4.122 5.609 152 HA2 GLY 20 HA2 GLY 20 -15.503 -4.071 4.069 153 HA3 GLY 20 HA3 GLY 20 -13.902 -3.760 3.425 154 HA PRO 21 HA PRO 21 -15.033 -8.412 2.830 155 HB2 PRO 21 HB2 PRO 21 -16.617 -8.507 0.659 156 HB3 PRO 21 HB3 PRO 21 -17.297 -8.091 2.240 157 HG2 PRO 21 HG2 PRO 21 -16.451 -6.241 0.002 158 HG3 PRO 21 HG3 PRO 21 -17.975 -6.250 0.919 159 HD2 PRO 21 HD2 PRO 21 -15.876 -4.582 1.522 160 HD3 PRO 21 HD3 PRO 21 -17.027 -5.164 2.745 161 H GLY 22 H GLY 22 -14.878 -9.622 0.435 162 HA2 GLY 22 HA2 GLY 22 -12.238 -9.471 -0.441 163 HA3 GLY 22 HA3 GLY 22 -13.541 -10.230 -1.334 164 H GLY 23 H GLY 23 -15.096 -8.313 -2.274 165 HA2 GLY 23 HA2 GLY 23 -15.223 -6.035 -2.980 166 HA3 GLY 23 HA3 GLY 23 -13.496 -6.012 -3.225 167 HA PRO 24 HA PRO 24 -11.839 -7.516 -4.595 168 HB2 PRO 24 HB2 PRO 24 -10.445 -6.588 -6.760 169 HB3 PRO 24 HB3 PRO 24 -11.169 -8.200 -6.710 170 HG2 PRO 24 HG2 PRO 24 -12.260 -5.675 -7.957 171 HG3 PRO 24 HG3 PRO 24 -12.153 -7.308 -8.656 172 HD2 PRO 24 HD2 PRO 24 -14.457 -6.369 -7.579 173 HD3 PRO 24 HD3 PRO 24 -14.003 -8.081 -7.452 174 H VAL 25 H VAL 25 -10.996 -6.156 -3.140 175 HA VAL 25 HA VAL 25 -11.300 -3.327 -3.063 176 HB VAL 25 HB VAL 25 -9.305 -5.102 -1.594 177 HG11 VAL 25 HG11 VAL 25 -9.072 -3.282 0.052 178 HG12 VAL 25 HG12 VAL 25 -10.107 -2.247 -0.928 179 HG13 VAL 25 HG13 VAL 25 -8.542 -2.765 -1.550 180 HG21 VAL 25 HG21 VAL 25 -12.014 -4.076 -0.665 181 HG22 VAL 25 HG22 VAL 25 -10.886 -5.038 0.293 182 HG23 VAL 25 HG23 VAL 25 -11.641 -5.735 -1.139 183 H ARG 26 H ARG 26 -10.028 -1.696 -3.926 184 HA ARG 26 HA ARG 26 -7.795 -2.498 -5.686 185 HB2 ARG 26 HB2 ARG 26 -9.442 0.067 -5.566 186 HB3 ARG 26 HB3 ARG 26 -7.982 -0.070 -6.534 187 HG2 ARG 26 HG2 ARG 26 -9.682 -0.447 -8.085 188 HG3 ARG 26 HG3 ARG 26 -9.138 -2.075 -7.685 189 HD2 ARG 26 HD2 ARG 26 -11.548 -2.067 -7.783 190 HD3 ARG 26 HD3 ARG 26 -11.066 -2.270 -6.099 191 HE ARG 26 HE ARG 26 -11.893 -0.146 -5.599 192 HH11 ARG 26 HH11 ARG 26 -12.204 -0.704 -9.013 193 HH12 ARG 26 HH12 ARG 26 -13.260 0.642 -9.224 194 HH21 ARG 26 HH21 ARG 26 -13.261 1.550 -5.941 195 HH22 ARG 26 HH22 ARG 26 -13.852 1.878 -7.531 196 H TRP 27 H TRP 27 -5.786 -1.546 -5.595 197 HA TRP 27 HA TRP 27 -5.093 0.099 -3.229 198 HB2 TRP 27 HB2 TRP 27 -3.504 -1.898 -4.884 199 HB3 TRP 27 HB3 TRP 27 -2.667 -0.634 -3.982 200 HD1 TRP 27 HD1 TRP 27 -4.333 -3.995 -3.476 201 HE1 TRP 27 HE1 TRP 27 -4.115 -4.643 -0.997 202 HE3 TRP 27 HE3 TRP 27 -2.758 0.499 -1.629 203 HZ2 TRP 27 HZ2 TRP 27 -3.378 -3.384 1.441 204 HZ3 TRP 27 HZ3 TRP 27 -2.344 0.711 0.802 205 HH2 TRP 27 HH2 TRP 27 -2.654 -1.198 2.297 206 H TYR 28 H TYR 28 -4.716 2.209 -3.652 207 HA TYR 28 HA TYR 28 -3.781 3.038 -6.347 208 HB2 TYR 28 HB2 TYR 28 -5.193 4.716 -4.229 209 HB3 TYR 28 HB3 TYR 28 -4.628 5.310 -5.787 210 HD1 TYR 28 HD2 TYR 28 -7.124 3.066 -4.153 211 HD2 TYR 28 HD1 TYR 28 -5.982 5.009 -7.782 212 HE1 TYR 28 HE2 TYR 28 -9.309 2.538 -5.132 213 HE2 TYR 28 HE1 TYR 28 -8.186 4.493 -8.746 214 HH TYR 28 HH TYR 28 -10.797 3.448 -6.874 215 H LYS 29 H LYS 29 -2.208 4.761 -6.431 216 HA LYS 29 HA LYS 29 -0.802 5.535 -3.966 217 HB2 LYS 29 HB2 LYS 29 0.559 3.689 -4.647 218 HB3 LYS 29 HB3 LYS 29 0.533 4.163 -6.326 219 HG2 LYS 29 HG2 LYS 29 2.724 4.624 -5.348 220 HG3 LYS 29 HG3 LYS 29 1.943 6.124 -5.815 221 HD2 LYS 29 HD2 LYS 29 1.478 6.724 -3.556 222 HD3 LYS 29 HD3 LYS 29 1.806 5.094 -2.967 223 HE2 LYS 29 HE2 LYS 29 3.617 6.646 -2.376 224 HE3 LYS 29 HE3 LYS 29 4.200 5.389 -3.451 225 HZ1 LYS 29 HZ1 LYS 29 3.914 7.012 -5.290 226 HZ2 LYS 29 HZ2 LYS 29 5.093 7.439 -4.161 227 HZ3 LYS 29 HZ3 LYS 29 3.590 8.202 -4.131 228 H ASP 30 H ASP 30 -0.569 7.675 -3.974 229 HA ASP 30 HA ASP 30 -0.641 9.854 -4.578 230 HB2 ASP 30 HB2 ASP 30 1.179 8.645 -6.679 231 HB3 ASP 30 HB3 ASP 30 0.859 10.369 -6.662 232 H GLY 31 H GLY 31 -2.844 8.161 -5.609 233 HA2 GLY 31 HA2 GLY 31 -4.839 9.184 -6.496 234 HA3 GLY 31 HA3 GLY 31 -3.873 9.968 -7.732 235 H GLU 32 H GLU 32 -2.351 7.313 -8.172 236 HA GLU 32 HA GLU 32 -4.428 6.183 -9.981 237 HB2 GLU 32 HB2 GLU 32 -2.640 7.390 -11.210 238 HB3 GLU 32 HB3 GLU 32 -1.432 6.320 -10.509 239 HG2 GLU 32 HG2 GLU 32 -2.419 4.390 -11.663 240 HG3 GLU 32 HG3 GLU 32 -3.716 5.404 -12.291 241 H ARG 33 H ARG 33 -4.827 4.083 -9.943 242 HA ARG 33 HA ARG 33 -4.050 2.465 -7.789 243 HB2 ARG 33 HB2 ARG 33 -5.490 0.782 -8.658 244 HB3 ARG 33 HB3 ARG 33 -6.234 2.307 -9.081 245 HG2 ARG 33 HG2 ARG 33 -4.535 0.718 -11.022 246 HG3 ARG 33 HG3 ARG 33 -6.285 0.502 -10.887 247 HD2 ARG 33 HD2 ARG 33 -6.651 2.822 -11.564 248 HD3 ARG 33 HD3 ARG 33 -4.915 3.136 -11.557 249 HE ARG 33 HE ARG 33 -5.424 1.052 -13.361 250 HH11 ARG 33 HH11 ARG 33 -6.100 4.447 -13.105 251 HH12 ARG 33 HH12 ARG 33 -6.100 4.678 -14.816 252 HH21 ARG 33 HH21 ARG 33 -5.412 1.387 -15.532 253 HH22 ARG 33 HH22 ARG 33 -5.704 2.966 -16.171 254 H LEU 34 H LEU 34 -2.927 0.458 -7.690 255 HA LEU 34 HA LEU 34 -0.655 0.152 -9.550 256 HB2 LEU 34 HB2 LEU 34 -1.055 -1.126 -6.809 257 HB3 LEU 34 HB3 LEU 34 0.414 -1.150 -7.770 258 HG LEU 34 HG LEU 34 -0.789 1.205 -6.266 259 HD11 LEU 34 HD11 LEU 34 1.405 1.255 -5.146 260 HD12 LEU 34 HD12 LEU 34 1.912 -0.161 -6.074 261 HD13 LEU 34 HD13 LEU 34 0.581 -0.287 -4.921 262 HD21 LEU 34 HD21 LEU 34 1.056 2.600 -7.196 263 HD22 LEU 34 HD22 LEU 34 -0.076 2.082 -8.439 264 HD23 LEU 34 HD23 LEU 34 1.489 1.281 -8.287 265 H ALA 35 H ALA 35 -0.303 -1.759 -10.641 266 HA ALA 35 HA ALA 35 -2.346 -3.905 -10.539 267 HB1 ALA 35 HB1 ALA 35 -1.558 -4.506 -12.806 268 HB2 ALA 35 HB2 ALA 35 -0.337 -3.232 -12.732 269 HB3 ALA 35 HB3 ALA 35 -2.050 -2.811 -12.740 270 H SER 36 H SER 36 -1.573 -6.139 -10.623 271 HA SER 36 HA SER 36 0.549 -6.805 -8.888 272 HB2 SER 36 HB2 SER 36 0.144 -9.169 -9.629 273 HB3 SER 36 HB3 SER 36 -1.348 -8.325 -9.213 274 HG SER 36 HG SER 36 -0.740 -9.539 -11.489 275 H GLN 37 H GLN 37 2.513 -6.118 -9.388 276 HA GLN 37 HA GLN 37 3.747 -6.617 -12.050 277 HB2 GLN 37 HB2 GLN 37 3.361 -4.210 -10.916 278 HB3 GLN 37 HB3 GLN 37 4.802 -4.619 -10.014 279 HG2 GLN 37 HG2 GLN 37 4.695 -4.512 -13.044 280 HG3 GLN 37 HG3 GLN 37 5.096 -3.128 -12.044 281 HE21 GLN 37 HE21 GLN 37 6.275 -5.980 -13.507 282 HE22 GLN 37 HE22 GLN 37 7.896 -5.878 -12.933 283 H GLY 38 H GLY 38 6.118 -7.238 -11.930 284 HA2 GLY 38 HA2 GLY 38 6.841 -9.326 -10.253 285 HA3 GLY 38 HA3 GLY 38 7.983 -8.305 -11.108 286 H ARG 39 H ARG 39 7.421 -5.859 -9.719 287 HA ARG 39 HA ARG 39 8.776 -6.338 -7.155 288 HB2 ARG 39 HB2 ARG 39 8.152 -3.771 -8.669 289 HB3 ARG 39 HB3 ARG 39 8.840 -3.774 -7.050 290 HG2 ARG 39 HG2 ARG 39 10.628 -3.436 -8.636 291 HG3 ARG 39 HG3 ARG 39 10.820 -5.033 -7.916 292 HD2 ARG 39 HD2 ARG 39 9.794 -6.044 -9.952 293 HD3 ARG 39 HD3 ARG 39 9.670 -4.436 -10.669 294 HE ARG 39 HE ARG 39 12.337 -4.772 -10.024 295 HH11 ARG 39 HH11 ARG 39 10.089 -6.442 -12.083 296 HH12 ARG 39 HH12 ARG 39 11.326 -6.967 -13.159 297 HH21 ARG 39 HH21 ARG 39 13.875 -5.479 -11.446 298 HH22 ARG 39 HH22 ARG 39 13.417 -6.429 -12.814 299 H VAL 40 H VAL 40 5.637 -5.280 -8.370 300 HA VAL 40 HA VAL 40 4.593 -4.625 -5.706 301 HB VAL 40 HB VAL 40 3.281 -4.428 -8.456 302 HG11 VAL 40 HG11 VAL 40 1.553 -4.785 -6.750 303 HG12 VAL 40 HG12 VAL 40 1.476 -3.135 -7.364 304 HG13 VAL 40 HG13 VAL 40 2.202 -3.457 -5.790 305 HG21 VAL 40 HG21 VAL 40 4.393 -2.245 -6.643 306 HG22 VAL 40 HG22 VAL 40 3.587 -1.984 -8.192 307 HG23 VAL 40 HG23 VAL 40 5.133 -2.828 -8.137 308 H GLN 41 H GLN 41 4.680 -6.707 -4.772 309 HA GLN 41 HA GLN 41 3.146 -8.945 -5.805 310 HB2 GLN 41 HB2 GLN 41 4.476 -8.611 -3.084 311 HB3 GLN 41 HB3 GLN 41 3.900 -10.120 -3.780 312 HG2 GLN 41 HG2 GLN 41 5.617 -10.002 -5.526 313 HG3 GLN 41 HG3 GLN 41 6.164 -8.443 -4.904 314 HE21 GLN 41 HE21 GLN 41 8.265 -9.241 -4.516 315 HE22 GLN 41 HE22 GLN 41 8.610 -10.328 -3.222 316 H LEU 42 H LEU 42 0.959 -8.549 -5.794 317 HA LEU 42 HA LEU 42 -0.375 -7.389 -3.458 318 HB2 LEU 42 HB2 LEU 42 -1.355 -8.138 -6.231 319 HB3 LEU 42 HB3 LEU 42 -2.470 -7.668 -4.954 320 HG LEU 42 HG LEU 42 -0.238 -5.916 -6.068 321 HD11 LEU 42 HD11 LEU 42 -2.034 -4.525 -6.999 322 HD12 LEU 42 HD12 LEU 42 -3.241 -5.680 -6.424 323 HD13 LEU 42 HD13 LEU 42 -2.081 -6.157 -7.669 324 HD21 LEU 42 HD21 LEU 42 -2.352 -5.278 -3.979 325 HD22 LEU 42 HD22 LEU 42 -1.235 -4.114 -4.695 326 HD23 LEU 42 HD23 LEU 42 -0.615 -5.427 -3.700 327 H GLU 43 H GLU 43 -2.050 -8.358 -2.325 328 HA GLU 43 HA GLU 43 -2.735 -11.185 -2.712 329 HB2 GLU 43 HB2 GLU 43 -0.762 -11.011 -1.063 330 HB3 GLU 43 HB3 GLU 43 -1.823 -10.131 0.015 331 HG2 GLU 43 HG2 GLU 43 -2.338 -12.985 -0.888 332 HG3 GLU 43 HG3 GLU 43 -1.456 -12.561 0.574 333 H GLN 44 H GLN 44 -4.891 -11.507 -2.295 334 HA GLN 44 HA GLN 44 -6.452 -9.268 -1.122 335 HB2 GLN 44 HB2 GLN 44 -7.238 -10.895 -3.583 336 HB3 GLN 44 HB3 GLN 44 -8.211 -9.636 -2.828 337 HG2 GLN 44 HG2 GLN 44 -6.485 -7.958 -3.398 338 HG3 GLN 44 HG3 GLN 44 -5.512 -9.215 -4.161 339 HE21 GLN 44 HE21 GLN 44 -5.562 -8.209 -6.193 340 HE22 GLN 44 HE22 GLN 44 -6.991 -8.128 -7.155 341 H ALA 45 H ALA 45 -7.015 -10.135 0.808 342 HA ALA 45 HA ALA 45 -8.569 -12.679 0.854 343 HB1 ALA 45 HB1 ALA 45 -7.785 -13.014 3.161 344 HB2 ALA 45 HB2 ALA 45 -6.854 -11.516 3.074 345 HB3 ALA 45 HB3 ALA 45 -6.422 -12.882 2.047 346 H GLY 46 H GLY 46 -9.159 -9.560 0.733 347 HA2 GLY 46 HA2 GLY 46 -11.142 -8.420 1.089 348 HA3 GLY 46 HA3 GLY 46 -11.701 -9.712 2.136 349 H ALA 47 H ALA 47 -11.101 -9.696 4.349 350 HA ALA 47 HA ALA 47 -10.758 -7.140 5.601 351 HB1 ALA 47 HB1 ALA 47 -10.827 -8.381 7.721 352 HB2 ALA 47 HB2 ALA 47 -10.630 -9.904 6.851 353 HB3 ALA 47 HB3 ALA 47 -12.097 -8.950 6.634 354 H ARG 48 H ARG 48 -8.515 -9.247 4.231 355 HA ARG 48 HA ARG 48 -6.274 -7.754 5.455 356 HB2 ARG 48 HB2 ARG 48 -6.291 -10.085 6.346 357 HB3 ARG 48 HB3 ARG 48 -6.236 -10.708 4.702 358 HG2 ARG 48 HG2 ARG 48 -4.010 -9.431 4.460 359 HG3 ARG 48 HG3 ARG 48 -4.061 -9.224 6.213 360 HD2 ARG 48 HD2 ARG 48 -2.685 -11.156 5.644 361 HD3 ARG 48 HD3 ARG 48 -4.152 -11.707 6.467 362 HE ARG 48 HE ARG 48 -4.225 -11.665 3.554 363 HH11 ARG 48 HH11 ARG 48 -3.782 -13.628 6.364 364 HH12 ARG 48 HH12 ARG 48 -4.005 -15.096 5.487 365 HH21 ARG 48 HH21 ARG 48 -4.487 -13.530 2.465 366 HH22 ARG 48 HH22 ARG 48 -4.398 -15.042 3.302 367 H GLN 49 H GLN 49 -5.984 -6.348 3.732 368 HA GLN 49 HA GLN 49 -5.369 -7.495 1.069 369 HB2 GLN 49 HB2 GLN 49 -5.969 -4.620 1.884 370 HB3 GLN 49 HB3 GLN 49 -5.525 -5.119 0.254 371 HG2 GLN 49 HG2 GLN 49 -8.027 -5.926 1.770 372 HG3 GLN 49 HG3 GLN 49 -7.928 -4.788 0.431 373 HE21 GLN 49 HE21 GLN 49 -7.461 -5.626 -1.679 374 HE22 GLN 49 HE22 GLN 49 -7.783 -7.274 -2.059 375 H VAL 50 H VAL 50 -3.275 -7.631 0.469 376 HA VAL 50 HA VAL 50 -1.245 -6.090 1.986 377 HB VAL 50 HB VAL 50 -0.797 -8.775 0.618 378 HG11 VAL 50 HG11 VAL 50 0.998 -7.178 2.486 379 HG12 VAL 50 HG12 VAL 50 1.233 -7.391 0.751 380 HG13 VAL 50 HG13 VAL 50 1.359 -8.777 1.830 381 HG21 VAL 50 HG21 VAL 50 -2.297 -9.089 2.542 382 HG22 VAL 50 HG22 VAL 50 -1.181 -8.205 3.587 383 HG23 VAL 50 HG23 VAL 50 -0.702 -9.756 2.896 384 H LEU 51 H LEU 51 -0.315 -4.539 0.850 385 HA LEU 51 HA LEU 51 0.357 -4.917 -2.018 386 HB2 LEU 51 HB2 LEU 51 -1.039 -2.966 -1.652 387 HB3 LEU 51 HB3 LEU 51 -0.033 -2.395 -0.349 388 HG LEU 51 HG LEU 51 0.052 -1.135 -2.636 389 HD11 LEU 51 HD11 LEU 51 2.698 -1.966 -1.417 390 HD12 LEU 51 HD12 LEU 51 1.640 -0.687 -0.828 391 HD13 LEU 51 HD13 LEU 51 2.387 -0.541 -2.414 392 HD21 LEU 51 HD21 LEU 51 1.804 -3.498 -3.367 393 HD22 LEU 51 HD22 LEU 51 1.626 -2.006 -4.294 394 HD23 LEU 51 HD23 LEU 51 0.246 -3.079 -4.086 395 H ARG 52 H ARG 52 2.401 -5.636 -2.252 396 HA ARG 52 HA ARG 52 4.514 -4.739 -0.359 397 HB2 ARG 52 HB2 ARG 52 4.207 -7.330 -1.914 398 HB3 ARG 52 HB3 ARG 52 5.726 -6.861 -1.149 399 HG2 ARG 52 HG2 ARG 52 4.818 -7.031 1.031 400 HG3 ARG 52 HG3 ARG 52 3.158 -7.038 0.437 401 HD2 ARG 52 HD2 ARG 52 5.154 -9.264 -0.089 402 HD3 ARG 52 HD3 ARG 52 3.982 -9.270 1.237 403 HE ARG 52 HE ARG 52 2.550 -8.814 -1.104 404 HH11 ARG 52 HH11 ARG 52 4.498 -11.395 0.139 405 HH12 ARG 52 HH12 ARG 52 3.553 -12.609 -0.645 406 HH21 ARG 52 HH21 ARG 52 1.378 -10.382 -2.100 407 HH22 ARG 52 HH22 ARG 52 1.810 -12.042 -1.902 408 H VAL 53 H VAL 53 5.520 -3.038 -1.342 409 HA VAL 53 HA VAL 53 6.426 -3.267 -4.138 410 HB VAL 53 HB VAL 53 6.730 -0.938 -2.186 411 HG11 VAL 53 HG11 VAL 53 7.344 -1.061 -5.163 412 HG12 VAL 53 HG12 VAL 53 8.524 -0.927 -3.859 413 HG13 VAL 53 HG13 VAL 53 7.398 0.395 -4.164 414 HG21 VAL 53 HG21 VAL 53 4.375 -1.297 -2.792 415 HG22 VAL 53 HG22 VAL 53 4.786 -1.274 -4.506 416 HG23 VAL 53 HG23 VAL 53 4.979 0.185 -3.531 417 H GLN 54 H GLN 54 8.353 -4.163 -4.530 418 HA GLN 54 HA GLN 54 10.313 -4.688 -2.469 419 HB2 GLN 54 HB2 GLN 54 9.736 -6.278 -4.351 420 HB3 GLN 54 HB3 GLN 54 10.520 -5.185 -5.478 421 HG2 GLN 54 HG2 GLN 54 12.009 -6.397 -3.134 422 HG3 GLN 54 HG3 GLN 54 11.830 -7.259 -4.656 423 HE21 GLN 54 HE21 GLN 54 14.261 -6.258 -3.297 424 HE22 GLN 54 HE22 GLN 54 15.057 -5.272 -4.462 425 H GLY 55 H GLY 55 11.739 -3.185 -1.817 426 HA2 GLY 55 HA2 GLY 55 13.586 -1.770 -2.014 427 HA3 GLY 55 HA3 GLY 55 13.244 -1.549 -3.717 428 H ALA 56 H ALA 56 11.945 -0.738 -0.499 429 HA ALA 56 HA ALA 56 10.570 1.642 -1.384 430 HB1 ALA 56 HB1 ALA 56 9.723 0.258 0.483 431 HB2 ALA 56 HB2 ALA 56 9.994 1.925 0.980 432 HB3 ALA 56 HB3 ALA 56 11.146 0.668 1.437 433 H ARG 57 H ARG 57 11.960 3.240 -2.149 434 HA ARG 57 HA ARG 57 14.046 4.288 -0.303 435 HB2 ARG 57 HB2 ARG 57 14.041 4.102 -3.319 436 HB3 ARG 57 HB3 ARG 57 14.964 5.374 -2.542 437 HG2 ARG 57 HG2 ARG 57 16.475 3.602 -3.020 438 HG3 ARG 57 HG3 ARG 57 16.230 3.603 -1.275 439 HD2 ARG 57 HD2 ARG 57 16.278 1.321 -2.205 440 HD3 ARG 57 HD3 ARG 57 14.720 1.688 -1.463 441 HE ARG 57 HE ARG 57 13.823 2.031 -3.713 442 HH11 ARG 57 HH11 ARG 57 16.780 0.233 -3.533 443 HH12 ARG 57 HH12 ARG 57 16.451 -0.605 -5.006 444 HH21 ARG 57 HH21 ARG 57 13.441 0.917 -5.547 445 HH22 ARG 57 HH22 ARG 57 14.599 -0.225 -6.125 446 H SER 58 H SER 58 12.241 5.648 -3.129 447 HA SER 58 HA SER 58 11.696 8.088 -1.518 448 HB2 SER 58 HB2 SER 58 12.744 8.034 -4.380 449 HB3 SER 58 HB3 SER 58 12.266 9.485 -3.495 450 HG SER 58 HG SER 58 14.474 7.796 -3.117 451 H GLY 59 H GLY 59 10.955 6.907 -4.846 452 HA2 GLY 59 HA2 GLY 59 8.405 8.170 -4.991 453 HA3 GLY 59 HA3 GLY 59 9.024 6.946 -6.086 454 H ASP 60 H ASP 60 9.351 5.284 -3.461 455 HA ASP 60 HA ASP 60 6.836 3.854 -3.618 456 HB2 ASP 60 HB2 ASP 60 9.116 3.277 -1.686 457 HB3 ASP 60 HB3 ASP 60 7.964 2.142 -2.396 458 H ALA 61 H ALA 61 8.206 6.303 -1.628 459 HA ALA 61 HA ALA 61 6.383 6.025 0.628 460 HB1 ALA 61 HB1 ALA 61 7.431 8.108 1.434 461 HB2 ALA 61 HB2 ALA 61 8.319 8.262 -0.087 462 HB3 ALA 61 HB3 ALA 61 8.652 6.913 0.997 463 H GLY 62 H GLY 62 4.487 7.072 0.837 464 HA2 GLY 62 HA2 GLY 62 3.574 9.434 -0.119 465 HA3 GLY 62 HA3 GLY 62 3.319 8.350 -1.472 466 H GLU 63 H GLU 63 1.072 9.391 -0.719 467 HA GLU 63 HA GLU 63 -0.230 7.733 1.304 468 HB2 GLU 63 HB2 GLU 63 -1.309 9.989 -0.425 469 HB3 GLU 63 HB3 GLU 63 -2.337 8.998 0.600 470 HG2 GLU 63 HG2 GLU 63 -1.878 11.006 1.794 471 HG3 GLU 63 HG3 GLU 63 -0.983 9.709 2.584 472 H TYR 64 H TYR 64 -0.873 5.791 0.837 473 HA TYR 64 HA TYR 64 -1.769 4.976 -1.843 474 HB2 TYR 64 HB2 TYR 64 -1.203 3.408 0.712 475 HB3 TYR 64 HB3 TYR 64 -1.877 2.667 -0.737 476 HD1 TYR 64 HD2 TYR 64 1.099 4.647 0.436 477 HD2 TYR 64 HD1 TYR 64 -0.411 1.813 -2.383 478 HE1 TYR 64 HE2 TYR 64 3.376 4.288 -0.425 479 HE2 TYR 64 HE1 TYR 64 1.855 1.458 -3.242 480 HH TYR 64 HH TYR 64 4.648 2.626 -1.682 481 H LEU 65 H LEU 65 -3.875 3.910 -2.115 482 HA LEU 65 HA LEU 65 -5.836 4.425 0.063 483 HB2 LEU 65 HB2 LEU 65 -6.177 6.110 -1.688 484 HB3 LEU 65 HB3 LEU 65 -6.279 4.857 -2.913 485 HG LEU 65 HG LEU 65 -8.402 4.035 -1.932 486 HD11 LEU 65 HD11 LEU 65 -9.555 5.285 -0.157 487 HD12 LEU 65 HD12 LEU 65 -8.134 6.309 0.055 488 HD13 LEU 65 HD13 LEU 65 -8.045 4.583 0.412 489 HD21 LEU 65 HD21 LEU 65 -9.844 5.924 -2.562 490 HD22 LEU 65 HD22 LEU 65 -8.514 5.738 -3.702 491 HD23 LEU 65 HD23 LEU 65 -8.462 7.022 -2.492 492 H CYS 66 H CYS 66 -6.126 2.407 0.849 493 HA CYS 66 HA CYS 66 -6.619 0.093 -0.861 494 HB2 CYS 66 HB2 CYS 66 -5.484 -0.146 1.366 495 HB3 CYS 66 HB3 CYS 66 -6.975 0.369 2.152 496 HG CYS 66 HG CYS 66 -6.395 -2.535 0.461 497 H ASP 67 H ASP 67 -8.407 0.725 -2.064 498 HA ASP 67 HA ASP 67 -10.779 1.894 -0.927 499 HB2 ASP 67 HB2 ASP 67 -9.906 2.544 -3.162 500 HB3 ASP 67 HB3 ASP 67 -10.230 0.924 -3.762 501 H ALA 68 H ALA 68 -11.434 0.232 0.546 502 HA ALA 68 HA ALA 68 -12.537 -2.254 -0.455 503 HB1 ALA 68 HB1 ALA 68 -12.874 -0.934 2.258 504 HB2 ALA 68 HB2 ALA 68 -11.653 -2.136 1.839 505 HB3 ALA 68 HB3 ALA 68 -13.363 -2.574 1.845 506 HA PRO 69 HA PRO 69 -16.388 -0.910 -2.230 507 HB2 PRO 69 HB2 PRO 69 -17.625 -3.091 -0.516 508 HB3 PRO 69 HB3 PRO 69 -17.885 -2.737 -2.234 509 HG2 PRO 69 HG2 PRO 69 -16.268 -4.719 -1.545 510 HG3 PRO 69 HG3 PRO 69 -15.797 -3.621 -2.861 511 HD2 PRO 69 HD2 PRO 69 -14.777 -3.750 -0.037 512 HD3 PRO 69 HD3 PRO 69 -13.907 -3.354 -1.534 513 H GLN 70 H GLN 70 -16.518 -1.389 1.265 514 HA GLN 70 HA GLN 70 -18.593 0.721 1.561 515 HB2 GLN 70 HB2 GLN 70 -19.480 -0.555 3.493 516 HB3 GLN 70 HB3 GLN 70 -19.548 -1.501 2.009 517 HG2 GLN 70 HG2 GLN 70 -17.568 -2.773 2.678 518 HG3 GLN 70 HG3 GLN 70 -17.400 -1.800 4.137 519 HE21 GLN 70 HE21 GLN 70 -19.237 -4.324 2.568 520 HE22 GLN 70 HE22 GLN 70 -20.080 -4.857 3.973 521 H ASP 71 H ASP 71 -15.379 0.290 2.052 522 HA ASP 71 HA ASP 71 -15.173 1.803 4.523 523 HB2 ASP 71 HB2 ASP 71 -15.745 -0.635 5.144 524 HB3 ASP 71 HB3 ASP 71 -14.162 -1.076 4.519 525 H SER 72 H SER 72 -14.269 2.548 2.111 526 HA SER 72 HA SER 72 -11.607 1.837 1.371 527 HB2 SER 72 HB2 SER 72 -13.153 2.912 -0.210 528 HB3 SER 72 HB3 SER 72 -13.227 4.355 0.798 529 HG SER 72 HG SER 72 -11.594 3.933 -1.162 530 H ARG 73 H ARG 73 -9.676 2.378 2.337 531 HA ARG 73 HA ARG 73 -9.533 4.724 4.152 532 HB2 ARG 73 HB2 ARG 73 -8.306 1.984 4.678 533 HB3 ARG 73 HB3 ARG 73 -8.101 3.408 5.698 534 HG2 ARG 73 HG2 ARG 73 -10.597 3.420 6.048 535 HG3 ARG 73 HG3 ARG 73 -10.668 1.883 5.186 536 HD2 ARG 73 HD2 ARG 73 -9.162 0.889 6.907 537 HD3 ARG 73 HD3 ARG 73 -9.197 2.430 7.789 538 HE ARG 73 HE ARG 73 -11.704 1.039 7.170 539 HH11 ARG 73 HH11 ARG 73 -9.531 2.157 9.609 540 HH12 ARG 73 HH12 ARG 73 -10.666 1.855 10.872 541 HH21 ARG 73 HH21 ARG 73 -13.112 0.685 8.752 542 HH22 ARG 73 HH22 ARG 73 -12.688 1.051 10.389 543 H ILE 74 H ILE 74 -7.676 5.891 4.224 544 HA ILE 74 HA ILE 74 -5.729 5.525 2.068 545 HB ILE 74 HB ILE 74 -6.125 7.872 3.994 546 HG12 ILE 74 HG12 ILE 74 -6.788 9.090 1.793 547 HG13 ILE 74 HG13 ILE 74 -6.929 7.492 1.074 548 HG21 ILE 74 HG21 ILE 74 -4.213 7.656 1.641 549 HG22 ILE 74 HG22 ILE 74 -3.769 7.745 3.345 550 HG23 ILE 74 HG23 ILE 74 -4.525 9.132 2.561 551 HD11 ILE 74 HD11 ILE 74 -8.534 8.527 3.411 552 HD12 ILE 74 HD12 ILE 74 -8.711 6.942 2.652 553 HD13 ILE 74 HD13 ILE 74 -9.079 8.405 1.739 554 H PHE 75 H PHE 75 -3.607 5.067 2.410 555 HA PHE 75 HA PHE 75 -2.611 4.457 5.099 556 HB2 PHE 75 HB2 PHE 75 -1.926 3.494 2.323 557 HB3 PHE 75 HB3 PHE 75 -0.666 3.452 3.543 558 HD1 PHE 75 HD2 PHE 75 -4.289 2.477 3.204 559 HD2 PHE 75 HD1 PHE 75 -0.406 1.466 4.677 560 HE1 PHE 75 HE2 PHE 75 -5.151 0.340 4.060 561 HE2 PHE 75 HE1 PHE 75 -1.282 -0.660 5.530 562 HZ PHE 75 HZ PHE 75 -3.643 -1.220 5.226 563 H LEU 76 H LEU 76 -1.591 6.179 6.030 564 HA LEU 76 HA LEU 76 0.149 7.978 4.569 565 HB2 LEU 76 HB2 LEU 76 -0.163 7.469 7.557 566 HB3 LEU 76 HB3 LEU 76 0.914 8.683 6.883 567 HG LEU 76 HG LEU 76 -2.110 8.667 6.596 568 HD11 LEU 76 HD11 LEU 76 -0.356 10.446 8.315 569 HD12 LEU 76 HD12 LEU 76 -1.421 9.163 8.892 570 HD13 LEU 76 HD13 LEU 76 -2.106 10.588 8.116 571 HD21 LEU 76 HD21 LEU 76 -1.858 10.921 5.627 572 HD22 LEU 76 HD22 LEU 76 -1.059 9.703 4.639 573 HD23 LEU 76 HD23 LEU 76 -0.100 10.756 5.681 574 H VAL 77 H VAL 77 1.652 6.756 3.494 575 HA VAL 77 HA VAL 77 3.392 4.896 5.013 576 HB VAL 77 HB VAL 77 2.890 5.142 2.016 577 HG11 VAL 77 HG11 VAL 77 5.228 4.504 2.363 578 HG12 VAL 77 HG12 VAL 77 4.309 3.133 1.746 579 HG13 VAL 77 HG13 VAL 77 4.740 3.206 3.456 580 HG21 VAL 77 HG21 VAL 77 1.844 2.921 2.242 581 HG22 VAL 77 HG22 VAL 77 1.039 4.104 3.270 582 HG23 VAL 77 HG23 VAL 77 2.154 2.935 3.981 583 H SER 78 H SER 78 5.182 5.784 5.720 584 HA SER 78 HA SER 78 6.662 7.767 4.066 585 HB2 SER 78 HB2 SER 78 5.853 8.819 6.110 586 HB3 SER 78 HB3 SER 78 6.527 7.525 7.100 587 HG SER 78 HG SER 78 8.296 8.643 7.135 588 H VAL 79 H VAL 79 8.369 6.806 3.155 589 HA VAL 79 HA VAL 79 9.967 4.791 4.533 590 HB VAL 79 HB VAL 79 10.505 6.267 1.906 591 HG11 VAL 79 HG11 VAL 79 11.861 3.798 3.054 592 HG12 VAL 79 HG12 VAL 79 12.576 5.405 2.911 593 HG13 VAL 79 HG13 VAL 79 12.162 4.496 1.459 594 HG21 VAL 79 HG21 VAL 79 9.748 4.175 0.792 595 HG22 VAL 79 HG22 VAL 79 8.459 4.904 1.750 596 HG23 VAL 79 HG23 VAL 79 9.323 3.492 2.366 597 H GLU 80 H GLU 80 11.161 5.508 6.171 598 HA GLU 80 HA GLU 80 12.729 7.990 6.084 599 HB2 GLU 80 HB2 GLU 80 11.801 8.744 8.265 600 HB3 GLU 80 HB3 GLU 80 10.542 8.675 7.035 601 HG2 GLU 80 HG2 GLU 80 9.685 6.592 7.941 602 HG3 GLU 80 HG3 GLU 80 11.025 6.486 9.081 603 H GLU 81 H GLU 81 13.730 8.094 8.567 604 HA GLU 81 HA GLU 81 15.308 7.293 9.972 605 HB2 GLU 81 HB2 GLU 81 13.395 5.991 10.868 606 HB3 GLU 81 HB3 GLU 81 13.727 4.698 9.727 607 HG2 GLU 81 HG2 GLU 81 15.886 4.263 10.847 608 HG3 GLU 81 HG3 GLU 81 15.547 5.559 12.000 609 HA PRO 82 HA PRO 82 17.878 6.147 6.180 610 HB2 PRO 82 HB2 PRO 82 19.779 7.156 8.304 611 HB3 PRO 82 HB3 PRO 82 19.865 7.382 6.546 612 HG2 PRO 82 HG2 PRO 82 18.896 9.339 8.034 613 HG3 PRO 82 HG3 PRO 82 18.039 8.896 6.539 614 HD2 PRO 82 HD2 PRO 82 17.307 8.316 9.395 615 HD3 PRO 82 HD3 PRO 82 16.251 8.630 8.001 Start of MODEL 2 1 H MET 1 H1 MET 1 -6.521 8.702 9.055 2 HA MET 1 HA MET 1 -6.294 6.692 7.771 3 HB2 MET 1 HB2 MET 1 -3.800 8.356 8.252 4 HB3 MET 1 HB3 MET 1 -3.852 7.132 6.988 5 HG2 MET 1 HG2 MET 1 -4.293 9.375 6.107 6 HG3 MET 1 HG3 MET 1 -5.674 8.299 5.876 7 HE1 MET 1 HE1 MET 1 -7.276 10.344 5.355 8 HE2 MET 1 HE2 MET 1 -5.938 11.480 5.551 9 HE3 MET 1 HE3 MET 1 -7.454 11.748 6.409 10 H THR 2 H THR 2 -5.499 4.633 7.487 11 HA THR 2 HA THR 2 -4.216 3.236 9.691 12 HB THR 2 HB THR 2 -4.966 2.274 6.885 13 HG1 THR 2 HG1 THR 2 -6.664 1.213 8.267 14 HG21 THR 2 HG21 THR 2 -4.193 0.626 9.326 15 HG22 THR 2 HG22 THR 2 -3.259 0.775 7.833 16 HG23 THR 2 HG23 THR 2 -4.836 -0.030 7.812 17 H ARG 3 H ARG 3 -2.109 3.869 9.966 18 HA ARG 3 HA ARG 3 -0.493 4.705 7.655 19 HB2 ARG 3 HB2 ARG 3 -0.120 5.102 10.649 20 HB3 ARG 3 HB3 ARG 3 0.944 5.768 9.413 21 HG2 ARG 3 HG2 ARG 3 -0.910 7.119 8.526 22 HG3 ARG 3 HG3 ARG 3 -2.001 6.429 9.731 23 HD2 ARG 3 HD2 ARG 3 -1.225 8.681 10.376 24 HD3 ARG 3 HD3 ARG 3 -0.698 7.458 11.535 25 HE ARG 3 HE ARG 3 1.440 7.610 9.938 26 HH11 ARG 3 HH11 ARG 3 -0.361 10.202 11.362 27 HH12 ARG 3 HH12 ARG 3 1.040 11.195 11.536 28 HH21 ARG 3 HH21 ARG 3 3.182 8.899 10.171 29 HH22 ARG 3 HH22 ARG 3 3.010 10.469 10.867 30 H VAL 4 H VAL 4 1.576 3.926 7.197 31 HA VAL 4 HA VAL 4 2.761 1.793 8.888 32 HB VAL 4 HB VAL 4 2.720 1.809 5.823 33 HG11 VAL 4 HG11 VAL 4 4.051 -0.289 5.924 34 HG12 VAL 4 HG12 VAL 4 4.186 -0.118 7.675 35 HG13 VAL 4 HG13 VAL 4 4.946 1.071 6.614 36 HG21 VAL 4 HG21 VAL 4 0.631 0.925 6.770 37 HG22 VAL 4 HG22 VAL 4 1.542 -0.184 7.800 38 HG23 VAL 4 HG23 VAL 4 1.571 -0.389 6.046 39 H ARG 5 H ARG 5 4.924 2.011 9.251 40 HA ARG 5 HA ARG 5 6.379 4.329 8.083 41 HB2 ARG 5 HB2 ARG 5 5.628 4.601 10.457 42 HB3 ARG 5 HB3 ARG 5 6.554 3.176 10.908 43 HG2 ARG 5 HG2 ARG 5 8.643 4.301 10.486 44 HG3 ARG 5 HG3 ARG 5 7.823 5.659 9.701 45 HD2 ARG 5 HD2 ARG 5 6.732 6.232 11.846 46 HD3 ARG 5 HD3 ARG 5 7.573 4.890 12.632 47 HE ARG 5 HE ARG 5 9.579 6.377 11.586 48 HH11 ARG 5 HH11 ARG 5 6.937 7.193 13.655 49 HH12 ARG 5 HH12 ARG 5 7.822 8.443 14.445 50 HH21 ARG 5 HH21 ARG 5 10.684 7.950 12.620 51 HH22 ARG 5 HH22 ARG 5 9.926 8.861 13.879 52 H SER 6 H SER 6 8.172 3.700 6.936 53 HA SER 6 HA SER 6 9.384 1.033 7.444 54 HB2 SER 6 HB2 SER 6 7.730 0.820 5.602 55 HB3 SER 6 HB3 SER 6 8.548 2.102 4.708 56 HG SER 6 HG SER 6 10.176 0.763 4.245 57 H THR 7 H THR 7 11.444 0.693 6.397 58 HA THR 7 HA THR 7 13.134 3.106 6.264 59 HB THR 7 HB THR 7 15.050 1.442 6.435 60 HG1 THR 7 HG1 THR 7 14.669 -0.636 6.462 61 HG21 THR 7 HG21 THR 7 14.205 2.623 8.411 62 HG22 THR 7 HG22 THR 7 14.745 0.992 8.821 63 HG23 THR 7 HG23 THR 7 13.019 1.339 8.688 64 HA PRO 8 HA PRO 8 13.770 2.598 1.855 65 HB2 PRO 8 HB2 PRO 8 15.961 4.065 1.454 66 HB3 PRO 8 HB3 PRO 8 14.537 4.799 2.216 67 HG2 PRO 8 HG2 PRO 8 16.997 3.683 3.560 68 HG3 PRO 8 HG3 PRO 8 16.256 5.288 3.769 69 HD2 PRO 8 HD2 PRO 8 15.723 3.180 5.429 70 HD3 PRO 8 HD3 PRO 8 14.538 4.462 5.093 71 H GLY 9 H GLY 9 14.392 0.154 3.020 72 HA2 GLY 9 HA2 GLY 9 16.718 -0.859 1.566 73 HA3 GLY 9 HA3 GLY 9 16.859 -0.893 3.319 74 H GLY 10 H GLY 10 14.060 -1.507 1.220 75 HA2 GLY 10 HA2 GLY 10 14.008 -4.276 1.089 76 HA3 GLY 10 HA3 GLY 10 13.231 -3.881 2.622 77 H ASP 11 H ASP 11 11.666 -5.187 0.854 78 HA ASP 11 HA ASP 11 10.182 -3.422 -0.872 79 HB2 ASP 11 HB2 ASP 11 8.673 -5.319 -1.243 80 HB3 ASP 11 HB3 ASP 11 10.351 -5.819 -1.385 81 H LEU 12 H LEU 12 8.320 -2.289 -0.483 82 HA LEU 12 HA LEU 12 7.496 -1.841 2.250 83 HB2 LEU 12 HB2 LEU 12 7.653 -0.002 0.602 84 HB3 LEU 12 HB3 LEU 12 6.383 -0.743 -0.357 85 HG LEU 12 HG LEU 12 4.766 -0.376 1.492 86 HD11 LEU 12 HD11 LEU 12 6.289 -0.487 3.407 87 HD12 LEU 12 HD12 LEU 12 5.363 1.011 3.428 88 HD13 LEU 12 HD13 LEU 12 7.051 1.029 2.910 89 HD21 LEU 12 HD21 LEU 12 4.980 1.324 -0.265 90 HD22 LEU 12 HD22 LEU 12 6.235 2.147 0.669 91 HD23 LEU 12 HD23 LEU 12 4.584 2.058 1.288 92 H GLU 13 H GLU 13 6.186 -3.304 3.226 93 HA GLU 13 HA GLU 13 4.054 -4.625 1.654 94 HB2 GLU 13 HB2 GLU 13 5.780 -6.193 2.487 95 HB3 GLU 13 HB3 GLU 13 5.468 -5.667 4.142 96 HG2 GLU 13 HG2 GLU 13 3.149 -6.518 3.973 97 HG3 GLU 13 HG3 GLU 13 3.460 -7.037 2.317 98 H LEU 14 H LEU 14 2.242 -3.479 2.002 99 HA LEU 14 HA LEU 14 1.549 -2.398 4.639 100 HB2 LEU 14 HB2 LEU 14 0.013 -2.113 2.026 101 HB3 LEU 14 HB3 LEU 14 -0.182 -1.158 3.492 102 HG LEU 14 HG LEU 14 2.159 -1.082 1.548 103 HD11 LEU 14 HD11 LEU 14 1.503 1.246 1.203 104 HD12 LEU 14 HD12 LEU 14 0.146 1.047 2.316 105 HD13 LEU 14 HD13 LEU 14 0.190 0.140 0.800 106 HD21 LEU 14 HD21 LEU 14 3.068 -0.861 3.800 107 HD22 LEU 14 HD22 LEU 14 1.907 0.415 4.171 108 HD23 LEU 14 HD23 LEU 14 3.147 0.676 2.944 109 H VAL 15 H VAL 15 0.674 -3.920 5.938 110 HA VAL 15 HA VAL 15 -1.227 -5.930 4.935 111 HB VAL 15 HB VAL 15 0.063 -5.585 7.684 112 HG11 VAL 15 HG11 VAL 15 -1.703 -7.858 6.686 113 HG12 VAL 15 HG12 VAL 15 -2.128 -6.686 7.934 114 HG13 VAL 15 HG13 VAL 15 -0.828 -7.842 8.219 115 HG21 VAL 15 HG21 VAL 15 1.414 -7.570 7.069 116 HG22 VAL 15 HG22 VAL 15 1.680 -6.245 5.934 117 HG23 VAL 15 HG23 VAL 15 0.649 -7.604 5.477 118 H VAL 16 H VAL 16 -3.307 -5.357 4.873 119 HA VAL 16 HA VAL 16 -4.390 -3.253 6.640 120 HB VAL 16 HB VAL 16 -6.001 -4.411 4.335 121 HG11 VAL 16 HG11 VAL 16 -6.910 -2.125 4.202 122 HG12 VAL 16 HG12 VAL 16 -5.830 -1.606 5.498 123 HG13 VAL 16 HG13 VAL 16 -7.095 -2.795 5.825 124 HG21 VAL 16 HG21 VAL 16 -5.011 -2.787 2.765 125 HG22 VAL 16 HG22 VAL 16 -3.838 -3.988 3.300 126 HG23 VAL 16 HG23 VAL 16 -3.797 -2.363 3.973 127 H HIS 17 H HIS 17 -6.300 -3.565 7.827 128 HA HIS 17 HA HIS 17 -7.244 -6.364 8.184 129 HB2 HIS 17 HB2 HIS 17 -7.403 -4.059 10.182 130 HB3 HIS 17 HB3 HIS 17 -7.863 -5.735 10.475 131 HD1 HIS 17 HD1 HIS 17 -5.865 -7.491 10.533 132 HD2 HIS 17 HD2 HIS 17 -4.707 -3.510 10.574 133 HE1 HIS 17 HE1 HIS 17 -3.441 -7.517 11.145 134 HE2 HIS 17 HE2 HIS 17 -2.731 -5.107 11.070 135 H LEU 18 H LEU 18 -8.121 -3.915 6.354 136 HA LEU 18 HA LEU 18 -10.761 -3.206 6.870 137 HB2 LEU 18 HB2 LEU 18 -9.204 -3.536 4.314 138 HB3 LEU 18 HB3 LEU 18 -10.938 -3.299 4.184 139 HG LEU 18 HG LEU 18 -8.940 -1.348 5.405 140 HD11 LEU 18 HD11 LEU 18 -10.621 -1.193 2.874 141 HD12 LEU 18 HD12 LEU 18 -8.872 -1.417 2.959 142 HD13 LEU 18 HD13 LEU 18 -9.589 0.094 3.506 143 HD21 LEU 18 HD21 LEU 18 -10.850 0.194 5.674 144 HD22 LEU 18 HD22 LEU 18 -11.033 -1.248 6.668 145 HD23 LEU 18 HD23 LEU 18 -11.960 -1.087 5.174 146 H SER 19 H SER 19 -12.014 -4.824 7.737 147 HA SER 19 HA SER 19 -12.512 -7.373 6.576 148 HB2 SER 19 HB2 SER 19 -12.963 -6.938 8.967 149 HB3 SER 19 HB3 SER 19 -14.216 -5.773 8.541 150 HG SER 19 HG SER 19 -15.548 -7.376 8.379 151 H GLY 20 H GLY 20 -12.846 -6.879 4.365 152 HA2 GLY 20 HA2 GLY 20 -15.125 -5.245 3.516 153 HA3 GLY 20 HA3 GLY 20 -13.891 -5.957 2.489 154 HA PRO 21 HA PRO 21 -17.862 -8.641 2.539 155 HB2 PRO 21 HB2 PRO 21 -18.867 -7.363 0.077 156 HB3 PRO 21 HB3 PRO 21 -19.649 -7.504 1.653 157 HG2 PRO 21 HG2 PRO 21 -18.773 -5.117 0.667 158 HG3 PRO 21 HG3 PRO 21 -18.809 -5.475 2.407 159 HD2 PRO 21 HD2 PRO 21 -16.462 -5.612 0.498 160 HD3 PRO 21 HD3 PRO 21 -16.552 -4.891 2.125 161 H GLY 22 H GLY 22 -15.092 -8.777 1.163 162 HA2 GLY 22 HA2 GLY 22 -13.990 -10.188 -0.267 163 HA3 GLY 22 HA3 GLY 22 -15.518 -10.998 -0.585 164 H GLY 23 H GLY 23 -13.988 -7.829 -1.241 165 HA2 GLY 23 HA2 GLY 23 -15.525 -7.232 -3.560 166 HA3 GLY 23 HA3 GLY 23 -14.099 -6.376 -3.013 167 HA PRO 24 HA PRO 24 -11.895 -7.790 -2.269 168 HB2 PRO 24 HB2 PRO 24 -9.310 -7.656 -3.012 169 HB3 PRO 24 HB3 PRO 24 -10.167 -9.209 -3.022 170 HG2 PRO 24 HG2 PRO 24 -9.636 -7.326 -5.336 171 HG3 PRO 24 HG3 PRO 24 -9.365 -9.081 -5.246 172 HD2 PRO 24 HD2 PRO 24 -11.608 -7.994 -6.387 173 HD3 PRO 24 HD3 PRO 24 -11.614 -9.582 -5.587 174 H VAL 25 H VAL 25 -9.861 -6.104 -1.828 175 HA VAL 25 HA VAL 25 -10.936 -3.451 -2.420 176 HB VAL 25 HB VAL 25 -8.672 -4.336 -0.574 177 HG11 VAL 25 HG11 VAL 25 -8.844 -2.097 0.465 178 HG12 VAL 25 HG12 VAL 25 -10.022 -1.623 -0.760 179 HG13 VAL 25 HG13 VAL 25 -8.363 -1.989 -1.232 180 HG21 VAL 25 HG21 VAL 25 -11.551 -3.594 0.091 181 HG22 VAL 25 HG22 VAL 25 -10.296 -3.981 1.271 182 HG23 VAL 25 HG23 VAL 25 -10.862 -5.220 0.147 183 H ARG 26 H ARG 26 -9.748 -1.791 -3.478 184 HA ARG 26 HA ARG 26 -7.569 -2.648 -5.272 185 HB2 ARG 26 HB2 ARG 26 -9.280 -0.121 -5.243 186 HB3 ARG 26 HB3 ARG 26 -7.999 -0.435 -6.411 187 HG2 ARG 26 HG2 ARG 26 -9.287 -2.410 -7.239 188 HG3 ARG 26 HG3 ARG 26 -10.586 -2.008 -6.106 189 HD2 ARG 26 HD2 ARG 26 -10.939 0.145 -7.224 190 HD3 ARG 26 HD3 ARG 26 -9.565 -0.152 -8.298 191 HE ARG 26 HE ARG 26 -11.560 -2.197 -8.488 192 HH11 ARG 26 HH11 ARG 26 -10.775 0.978 -9.644 193 HH12 ARG 26 HH12 ARG 26 -11.766 0.815 -11.048 194 HH21 ARG 26 HH21 ARG 26 -12.781 -2.384 -10.294 195 HH22 ARG 26 HH22 ARG 26 -12.880 -1.074 -11.417 196 H TRP 27 H TRP 27 -5.859 -0.937 -5.697 197 HA TRP 27 HA TRP 27 -5.059 0.621 -3.297 198 HB2 TRP 27 HB2 TRP 27 -3.318 -1.223 -4.998 199 HB3 TRP 27 HB3 TRP 27 -2.646 -0.010 -3.915 200 HD1 TRP 27 HD1 TRP 27 -4.241 -3.479 -3.869 201 HE1 TRP 27 HE1 TRP 27 -4.021 -4.432 -1.492 202 HE3 TRP 27 HE3 TRP 27 -2.677 0.743 -1.447 203 HZ2 TRP 27 HZ2 TRP 27 -3.275 -3.515 1.068 204 HZ3 TRP 27 HZ3 TRP 27 -2.242 0.628 0.972 205 HH2 TRP 27 HH2 TRP 27 -2.536 -1.459 2.204 206 H TYR 28 H TYR 28 -4.375 2.709 -3.757 207 HA TYR 28 HA TYR 28 -3.509 3.387 -6.524 208 HB2 TYR 28 HB2 TYR 28 -5.432 5.037 -4.813 209 HB3 TYR 28 HB3 TYR 28 -4.693 5.613 -6.297 210 HD1 TYR 28 HD2 TYR 28 -7.025 2.982 -4.974 211 HD2 TYR 28 HD1 TYR 28 -5.737 5.162 -8.415 212 HE1 TYR 28 HE2 TYR 28 -8.909 2.075 -6.264 213 HE2 TYR 28 HE1 TYR 28 -7.635 4.268 -9.692 214 HH TYR 28 HH TYR 28 -10.261 2.730 -8.262 215 H LYS 29 H LYS 29 -1.508 4.282 -6.498 216 HA LYS 29 HA LYS 29 -0.608 5.844 -4.122 217 HB2 LYS 29 HB2 LYS 29 0.756 3.868 -4.212 218 HB3 LYS 29 HB3 LYS 29 0.987 4.000 -5.940 219 HG2 LYS 29 HG2 LYS 29 3.044 4.605 -4.811 220 HG3 LYS 29 HG3 LYS 29 2.384 6.029 -5.592 221 HD2 LYS 29 HD2 LYS 29 1.717 7.010 -3.532 222 HD3 LYS 29 HD3 LYS 29 1.839 5.483 -2.654 223 HE2 LYS 29 HE2 LYS 29 3.691 6.959 -2.049 224 HE3 LYS 29 HE3 LYS 29 4.302 5.544 -2.889 225 HZ1 LYS 29 HZ1 LYS 29 4.427 6.911 -4.913 226 HZ2 LYS 29 HZ2 LYS 29 5.417 7.479 -3.665 227 HZ3 LYS 29 HZ3 LYS 29 3.960 8.261 -4.009 228 H ASP 30 H ASP 30 0.091 7.894 -4.495 229 HA ASP 30 HA ASP 30 0.366 9.899 -5.489 230 HB2 ASP 30 HB2 ASP 30 1.455 8.268 -7.823 231 HB3 ASP 30 HB3 ASP 30 1.678 9.992 -7.601 232 H GLY 31 H GLY 31 -2.191 8.396 -5.885 233 HA2 GLY 31 HA2 GLY 31 -4.242 8.998 -6.788 234 HA3 GLY 31 HA3 GLY 31 -3.438 10.091 -7.897 235 H GLU 32 H GLU 32 -1.961 7.031 -8.077 236 HA GLU 32 HA GLU 32 -3.769 6.121 -10.231 237 HB2 GLU 32 HB2 GLU 32 -1.869 7.291 -11.268 238 HB3 GLU 32 HB3 GLU 32 -0.733 6.217 -10.466 239 HG2 GLU 32 HG2 GLU 32 -1.319 4.371 -11.800 240 HG3 GLU 32 HG3 GLU 32 -2.876 5.052 -12.250 241 H ARG 33 H ARG 33 -4.134 4.032 -10.406 242 HA ARG 33 HA ARG 33 -3.922 2.459 -8.106 243 HB2 ARG 33 HB2 ARG 33 -5.214 0.794 -9.256 244 HB3 ARG 33 HB3 ARG 33 -5.824 2.369 -9.696 245 HG2 ARG 33 HG2 ARG 33 -3.909 0.842 -11.470 246 HG3 ARG 33 HG3 ARG 33 -5.662 0.636 -11.578 247 HD2 ARG 33 HD2 ARG 33 -5.909 3.028 -12.124 248 HD3 ARG 33 HD3 ARG 33 -4.164 3.255 -11.957 249 HE ARG 33 HE ARG 33 -4.855 1.269 -13.911 250 HH11 ARG 33 HH11 ARG 33 -4.444 4.692 -13.490 251 HH12 ARG 33 HH12 ARG 33 -4.167 4.957 -15.170 252 HH21 ARG 33 HH21 ARG 33 -4.490 1.656 -16.037 253 HH22 ARG 33 HH22 ARG 33 -4.202 3.266 -16.593 254 H LEU 34 H LEU 34 -3.065 0.433 -7.705 255 HA LEU 34 HA LEU 34 -0.443 -0.180 -8.868 256 HB2 LEU 34 HB2 LEU 34 -1.854 -1.048 -6.318 257 HB3 LEU 34 HB3 LEU 34 -0.412 -1.875 -6.865 258 HG LEU 34 HG LEU 34 0.093 -0.248 -5.094 259 HD11 LEU 34 HD11 LEU 34 1.288 0.584 -7.746 260 HD12 LEU 34 HD12 LEU 34 1.810 -0.776 -6.752 261 HD13 LEU 34 HD13 LEU 34 1.978 0.870 -6.144 262 HD21 LEU 34 HD21 LEU 34 -0.100 2.153 -5.424 263 HD22 LEU 34 HD22 LEU 34 -1.678 1.382 -5.525 264 HD23 LEU 34 HD23 LEU 34 -0.860 1.901 -7.000 265 H ALA 35 H ALA 35 0.136 -2.493 -9.143 266 HA ALA 35 HA ALA 35 -2.060 -4.236 -10.091 267 HB1 ALA 35 HB1 ALA 35 -0.803 -4.681 -12.166 268 HB2 ALA 35 HB2 ALA 35 0.447 -3.535 -11.669 269 HB3 ALA 35 HB3 ALA 35 -1.186 -2.962 -12.019 270 H SER 36 H SER 36 -1.679 -6.426 -9.766 271 HA SER 36 HA SER 36 0.435 -7.179 -7.905 272 HB2 SER 36 HB2 SER 36 -0.773 -9.356 -7.824 273 HB3 SER 36 HB3 SER 36 -1.858 -7.997 -7.554 274 HG SER 36 HG SER 36 -2.124 -9.891 -9.328 275 H GLN 37 H GLN 37 1.374 -6.531 -10.608 276 HA GLN 37 HA GLN 37 2.447 -9.134 -11.561 277 HB2 GLN 37 HB2 GLN 37 1.625 -6.732 -13.265 278 HB3 GLN 37 HB3 GLN 37 2.526 -8.112 -13.870 279 HG2 GLN 37 HG2 GLN 37 0.428 -8.740 -14.547 280 HG3 GLN 37 HG3 GLN 37 0.438 -9.488 -12.956 281 HE21 GLN 37 HE21 GLN 37 -1.824 -8.645 -14.607 282 HE22 GLN 37 HE22 GLN 37 -2.735 -7.536 -13.645 283 H GLY 38 H GLY 38 4.588 -9.276 -11.390 284 HA2 GLY 38 HA2 GLY 38 6.830 -8.825 -11.547 285 HA3 GLY 38 HA3 GLY 38 6.416 -7.386 -12.449 286 H ARG 39 H ARG 39 6.490 -5.419 -11.461 287 HA ARG 39 HA ARG 39 8.268 -4.882 -9.410 288 HB2 ARG 39 HB2 ARG 39 5.983 -3.212 -10.531 289 HB3 ARG 39 HB3 ARG 39 7.173 -2.557 -9.411 290 HG2 ARG 39 HG2 ARG 39 7.936 -3.790 -12.082 291 HG3 ARG 39 HG3 ARG 39 7.559 -2.075 -11.877 292 HD2 ARG 39 HD2 ARG 39 9.758 -3.549 -10.370 293 HD3 ARG 39 HD3 ARG 39 10.013 -2.575 -11.820 294 HE ARG 39 HE ARG 39 9.261 -0.629 -10.560 295 HH11 ARG 39 HH11 ARG 39 10.157 -3.359 -8.633 296 HH12 ARG 39 HH12 ARG 39 10.512 -2.387 -7.256 297 HH21 ARG 39 HH21 ARG 39 9.698 0.562 -8.774 298 HH22 ARG 39 HH22 ARG 39 10.252 -0.212 -7.338 299 H VAL 40 H VAL 40 4.731 -5.026 -9.234 300 HA VAL 40 HA VAL 40 4.824 -4.803 -6.277 301 HB VAL 40 HB VAL 40 2.661 -3.836 -8.197 302 HG11 VAL 40 HG11 VAL 40 2.699 -3.682 -5.160 303 HG12 VAL 40 HG12 VAL 40 1.601 -4.653 -6.142 304 HG13 VAL 40 HG13 VAL 40 1.515 -2.891 -6.207 305 HG21 VAL 40 HG21 VAL 40 4.545 -2.239 -6.416 306 HG22 VAL 40 HG22 VAL 40 3.269 -1.564 -7.433 307 HG23 VAL 40 HG23 VAL 40 4.648 -2.372 -8.175 308 H GLN 41 H GLN 41 3.593 -6.228 -5.076 309 HA GLN 41 HA GLN 41 2.198 -8.464 -6.448 310 HB2 GLN 41 HB2 GLN 41 3.977 -8.633 -3.964 311 HB3 GLN 41 HB3 GLN 41 3.090 -9.980 -4.681 312 HG2 GLN 41 HG2 GLN 41 4.474 -9.736 -6.745 313 HG3 GLN 41 HG3 GLN 41 5.386 -8.451 -5.957 314 HE21 GLN 41 HE21 GLN 41 4.712 -11.882 -5.983 315 HE22 GLN 41 HE22 GLN 41 6.068 -12.356 -5.032 316 H LEU 42 H LEU 42 0.151 -8.886 -5.671 317 HA LEU 42 HA LEU 42 -0.716 -7.590 -3.143 318 HB2 LEU 42 HB2 LEU 42 -2.393 -8.027 -5.645 319 HB3 LEU 42 HB3 LEU 42 -2.969 -7.318 -4.141 320 HG LEU 42 HG LEU 42 -0.902 -6.096 -6.027 321 HD11 LEU 42 HD11 LEU 42 -2.581 -4.364 -6.445 322 HD12 LEU 42 HD12 LEU 42 -3.734 -5.203 -5.403 323 HD13 LEU 42 HD13 LEU 42 -3.184 -5.956 -6.905 324 HD21 LEU 42 HD21 LEU 42 -0.339 -5.522 -3.726 325 HD22 LEU 42 HD22 LEU 42 -1.991 -4.983 -3.421 326 HD23 LEU 42 HD23 LEU 42 -0.971 -4.109 -4.569 327 H GLU 43 H GLU 43 -1.934 -8.776 -1.687 328 HA GLU 43 HA GLU 43 -2.808 -11.513 -2.439 329 HB2 GLU 43 HB2 GLU 43 -1.387 -11.455 -0.405 330 HB3 GLU 43 HB3 GLU 43 -2.476 -10.291 0.343 331 HG2 GLU 43 HG2 GLU 43 -4.290 -11.990 0.325 332 HG3 GLU 43 HG3 GLU 43 -3.185 -13.149 -0.406 333 H GLN 44 H GLN 44 -4.945 -11.928 -2.631 334 HA GLN 44 HA GLN 44 -6.925 -9.816 -2.007 335 HB2 GLN 44 HB2 GLN 44 -7.074 -12.138 -3.980 336 HB3 GLN 44 HB3 GLN 44 -8.349 -10.948 -3.711 337 HG2 GLN 44 HG2 GLN 44 -6.860 -9.158 -4.538 338 HG3 GLN 44 HG3 GLN 44 -5.571 -10.340 -4.790 339 HE21 GLN 44 HE21 GLN 44 -5.469 -9.887 -7.013 340 HE22 GLN 44 HE22 GLN 44 -6.709 -10.356 -8.116 341 H ALA 45 H ALA 45 -7.683 -10.231 0.003 342 HA ALA 45 HA ALA 45 -8.791 -12.928 0.621 343 HB1 ALA 45 HB1 ALA 45 -6.691 -12.556 1.884 344 HB2 ALA 45 HB2 ALA 45 -8.087 -12.640 2.958 345 HB3 ALA 45 HB3 ALA 45 -7.365 -11.075 2.574 346 H GLY 46 H GLY 46 -10.301 -12.698 2.669 347 HA2 GLY 46 HA2 GLY 46 -12.475 -10.933 2.032 348 HA3 GLY 46 HA3 GLY 46 -12.365 -11.996 3.426 349 H ALA 47 H ALA 47 -9.756 -10.682 4.202 350 HA ALA 47 HA ALA 47 -10.703 -8.054 5.165 351 HB1 ALA 47 HB1 ALA 47 -9.975 -8.555 7.448 352 HB2 ALA 47 HB2 ALA 47 -9.516 -10.190 6.966 353 HB3 ALA 47 HB3 ALA 47 -11.212 -9.702 6.929 354 H ARG 48 H ARG 48 -7.840 -10.267 5.175 355 HA ARG 48 HA ARG 48 -6.042 -8.030 5.536 356 HB2 ARG 48 HB2 ARG 48 -5.693 -10.290 6.636 357 HB3 ARG 48 HB3 ARG 48 -5.243 -10.924 5.052 358 HG2 ARG 48 HG2 ARG 48 -3.386 -9.242 4.947 359 HG3 ARG 48 HG3 ARG 48 -3.827 -8.694 6.565 360 HD2 ARG 48 HD2 ARG 48 -1.968 -10.168 6.821 361 HD3 ARG 48 HD3 ARG 48 -3.388 -11.056 7.382 362 HE ARG 48 HE ARG 48 -3.062 -11.684 4.698 363 HH11 ARG 48 HH11 ARG 48 -1.236 -12.185 7.604 364 HH12 ARG 48 HH12 ARG 48 -0.456 -13.590 6.978 365 HH21 ARG 48 HH21 ARG 48 -2.042 -13.444 3.934 366 HH22 ARG 48 HH22 ARG 48 -0.916 -14.303 4.928 367 H GLN 49 H GLN 49 -6.040 -6.757 3.715 368 HA GLN 49 HA GLN 49 -5.251 -7.885 1.111 369 HB2 GLN 49 HB2 GLN 49 -5.537 -4.914 1.705 370 HB3 GLN 49 HB3 GLN 49 -5.729 -5.749 0.163 371 HG2 GLN 49 HG2 GLN 49 -7.639 -5.787 2.522 372 HG3 GLN 49 HG3 GLN 49 -7.875 -4.972 0.985 373 HE21 GLN 49 HE21 GLN 49 -9.468 -7.021 2.401 374 HE22 GLN 49 HE22 GLN 49 -9.688 -8.299 1.267 375 H VAL 50 H VAL 50 -3.145 -7.750 0.320 376 HA VAL 50 HA VAL 50 -1.112 -6.382 2.024 377 HB VAL 50 HB VAL 50 -0.798 -9.050 0.567 378 HG11 VAL 50 HG11 VAL 50 1.324 -7.813 0.512 379 HG12 VAL 50 HG12 VAL 50 1.447 -9.169 1.635 380 HG13 VAL 50 HG13 VAL 50 1.230 -7.531 2.252 381 HG21 VAL 50 HG21 VAL 50 -0.895 -8.464 3.557 382 HG22 VAL 50 HG22 VAL 50 -0.580 -10.043 2.833 383 HG23 VAL 50 HG23 VAL 50 -2.156 -9.274 2.619 384 H LEU 51 H LEU 51 -0.339 -4.677 0.950 385 HA LEU 51 HA LEU 51 0.184 -4.711 -1.959 386 HB2 LEU 51 HB2 LEU 51 -0.941 -2.754 -1.020 387 HB3 LEU 51 HB3 LEU 51 0.313 -2.525 0.158 388 HG LEU 51 HG LEU 51 0.189 -0.841 -1.776 389 HD11 LEU 51 HD11 LEU 51 2.573 -0.541 -1.978 390 HD12 LEU 51 HD12 LEU 51 2.875 -2.186 -1.414 391 HD13 LEU 51 HD13 LEU 51 2.159 -0.997 -0.328 392 HD21 LEU 51 HD21 LEU 51 1.216 -1.435 -3.898 393 HD22 LEU 51 HD22 LEU 51 -0.227 -2.398 -3.593 394 HD23 LEU 51 HD23 LEU 51 1.374 -3.116 -3.378 395 H ARG 52 H ARG 52 2.257 -5.173 -2.717 396 HA ARG 52 HA ARG 52 4.552 -4.648 -0.903 397 HB2 ARG 52 HB2 ARG 52 4.243 -7.094 -2.697 398 HB3 ARG 52 HB3 ARG 52 5.693 -6.682 -1.778 399 HG2 ARG 52 HG2 ARG 52 4.347 -6.905 0.332 400 HG3 ARG 52 HG3 ARG 52 2.977 -7.442 -0.647 401 HD2 ARG 52 HD2 ARG 52 4.177 -9.356 0.322 402 HD3 ARG 52 HD3 ARG 52 4.287 -9.370 -1.446 403 HE ARG 52 HE ARG 52 6.481 -8.173 0.098 404 HH11 ARG 52 HH11 ARG 52 5.409 -10.817 -1.869 405 HH12 ARG 52 HH12 ARG 52 7.018 -11.388 -2.135 406 HH21 ARG 52 HH21 ARG 52 8.501 -8.913 -0.267 407 HH22 ARG 52 HH22 ARG 52 8.745 -10.332 -1.227 408 H VAL 53 H VAL 53 5.401 -2.826 -1.881 409 HA VAL 53 HA VAL 53 6.061 -2.916 -4.764 410 HB VAL 53 HB VAL 53 6.554 -0.629 -2.792 411 HG11 VAL 53 HG11 VAL 53 6.679 -0.669 -5.840 412 HG12 VAL 53 HG12 VAL 53 8.062 -0.565 -4.747 413 HG13 VAL 53 HG13 VAL 53 6.899 0.758 -4.820 414 HG21 VAL 53 HG21 VAL 53 4.130 -1.025 -3.051 415 HG22 VAL 53 HG22 VAL 53 4.286 -0.929 -4.805 416 HG23 VAL 53 HG23 VAL 53 4.601 0.496 -3.810 417 H GLN 54 H GLN 54 7.855 -4.055 -5.187 418 HA GLN 54 HA GLN 54 9.778 -4.754 -3.181 419 HB2 GLN 54 HB2 GLN 54 9.708 -5.343 -6.164 420 HB3 GLN 54 HB3 GLN 54 10.825 -6.088 -5.017 421 HG2 GLN 54 HG2 GLN 54 8.942 -7.121 -3.814 422 HG3 GLN 54 HG3 GLN 54 7.792 -6.335 -4.893 423 HE21 GLN 54 HE21 GLN 54 7.630 -7.079 -7.042 424 HE22 GLN 54 HE22 GLN 54 8.208 -8.636 -7.506 425 H GLY 55 H GLY 55 11.326 -3.396 -2.511 426 HA2 GLY 55 HA2 GLY 55 13.469 -2.408 -2.789 427 HA3 GLY 55 HA3 GLY 55 13.079 -2.012 -4.452 428 H ALA 56 H ALA 56 11.515 -1.342 -1.293 429 HA ALA 56 HA ALA 56 10.572 1.238 -2.125 430 HB1 ALA 56 HB1 ALA 56 9.288 -0.179 -0.582 431 HB2 ALA 56 HB2 ALA 56 9.624 1.399 0.128 432 HB3 ALA 56 HB3 ALA 56 10.551 -0.017 0.641 433 H ARG 57 H ARG 57 11.795 3.020 -2.165 434 HA ARG 57 HA ARG 57 13.598 3.784 -0.048 435 HB2 ARG 57 HB2 ARG 57 15.102 2.330 -1.306 436 HB3 ARG 57 HB3 ARG 57 14.657 3.118 -2.820 437 HG2 ARG 57 HG2 ARG 57 15.731 5.212 -2.044 438 HG3 ARG 57 HG3 ARG 57 16.179 4.424 -0.531 439 HD2 ARG 57 HD2 ARG 57 17.727 2.970 -1.648 440 HD3 ARG 57 HD3 ARG 57 17.107 3.418 -3.242 441 HE ARG 57 HE ARG 57 17.950 5.763 -2.549 442 HH11 ARG 57 HH11 ARG 57 19.602 2.860 -1.676 443 HH12 ARG 57 HH12 ARG 57 21.158 3.605 -1.763 444 HH21 ARG 57 HH21 ARG 57 19.919 6.673 -2.695 445 HH22 ARG 57 HH22 ARG 57 21.335 5.746 -2.343 446 H SER 58 H SER 58 12.975 4.556 -3.508 447 HA SER 58 HA SER 58 13.839 7.285 -3.069 448 HB2 SER 58 HB2 SER 58 12.922 5.871 -5.602 449 HB3 SER 58 HB3 SER 58 13.614 7.495 -5.549 450 HG SER 58 HG SER 58 14.896 5.177 -5.673 451 H GLY 59 H GLY 59 10.890 6.112 -4.809 452 HA2 GLY 59 HA2 GLY 59 9.422 8.546 -3.873 453 HA3 GLY 59 HA3 GLY 59 9.216 7.812 -5.454 454 H ASP 60 H ASP 60 9.521 5.936 -2.518 455 HA ASP 60 HA ASP 60 6.939 4.634 -3.069 456 HB2 ASP 60 HB2 ASP 60 9.204 3.830 -1.194 457 HB3 ASP 60 HB3 ASP 60 7.838 2.816 -1.686 458 H ALA 61 H ALA 61 8.102 7.019 -0.973 459 HA ALA 61 HA ALA 61 6.243 6.532 1.212 460 HB1 ALA 61 HB1 ALA 61 7.024 8.706 2.075 461 HB2 ALA 61 HB2 ALA 61 7.925 8.998 0.583 462 HB3 ALA 61 HB3 ALA 61 8.391 7.674 1.654 463 H GLY 62 H GLY 62 4.165 7.279 1.288 464 HA2 GLY 62 HA2 GLY 62 3.034 9.538 0.261 465 HA3 GLY 62 HA3 GLY 62 3.029 8.430 -1.101 466 H GLU 63 H GLU 63 0.683 9.060 -0.764 467 HA GLU 63 HA GLU 63 -0.701 7.611 1.366 468 HB2 GLU 63 HB2 GLU 63 -1.928 9.334 -0.818 469 HB3 GLU 63 HB3 GLU 63 -2.698 8.754 0.650 470 HG2 GLU 63 HG2 GLU 63 -2.258 11.037 1.035 471 HG3 GLU 63 HG3 GLU 63 -1.020 10.179 1.947 472 H TYR 64 H TYR 64 -1.006 5.490 0.972 473 HA TYR 64 HA TYR 64 -1.749 4.524 -1.709 474 HB2 TYR 64 HB2 TYR 64 -1.044 3.034 0.850 475 HB3 TYR 64 HB3 TYR 64 -1.547 2.242 -0.639 476 HD1 TYR 64 HD2 TYR 64 1.090 4.550 0.733 477 HD2 TYR 64 HD1 TYR 64 0.060 1.698 -2.291 478 HE1 TYR 64 HE2 TYR 64 3.425 4.513 -0.035 479 HE2 TYR 64 HE1 TYR 64 2.386 1.675 -3.070 480 HH TYR 64 HH TYR 64 4.953 3.099 -1.318 481 H LEU 65 H LEU 65 -3.840 4.499 -2.200 482 HA LEU 65 HA LEU 65 -5.890 4.704 -0.141 483 HB2 LEU 65 HB2 LEU 65 -5.869 6.354 -1.976 484 HB3 LEU 65 HB3 LEU 65 -6.025 5.065 -3.156 485 HG LEU 65 HG LEU 65 -8.292 4.528 -2.285 486 HD11 LEU 65 HD11 LEU 65 -8.036 5.205 0.048 487 HD12 LEU 65 HD12 LEU 65 -9.406 6.035 -0.683 488 HD13 LEU 65 HD13 LEU 65 -7.888 6.899 -0.432 489 HD21 LEU 65 HD21 LEU 65 -9.442 6.528 -3.135 490 HD22 LEU 65 HD22 LEU 65 -8.073 6.094 -4.157 491 HD23 LEU 65 HD23 LEU 65 -7.936 7.449 -3.031 492 H CYS 66 H CYS 66 -6.225 2.652 0.610 493 HA CYS 66 HA CYS 66 -6.818 0.365 -0.973 494 HB2 CYS 66 HB2 CYS 66 -7.554 1.058 1.893 495 HB3 CYS 66 HB3 CYS 66 -7.788 -0.531 1.169 496 HG CYS 66 HG CYS 66 -4.741 0.965 1.480 497 H ASP 67 H ASP 67 -8.314 1.036 -2.553 498 HA ASP 67 HA ASP 67 -10.781 2.374 -1.862 499 HB2 ASP 67 HB2 ASP 67 -9.591 2.887 -3.962 500 HB3 ASP 67 HB3 ASP 67 -9.840 1.236 -4.520 501 H ALA 68 H ALA 68 -11.849 0.981 -0.508 502 HA ALA 68 HA ALA 68 -12.557 -1.733 -1.295 503 HB1 ALA 68 HB1 ALA 68 -13.292 -0.123 1.179 504 HB2 ALA 68 HB2 ALA 68 -11.940 -1.249 1.039 505 HB3 ALA 68 HB3 ALA 68 -13.595 -1.849 0.938 506 HA PRO 69 HA PRO 69 -16.764 -0.719 -2.851 507 HB2 PRO 69 HB2 PRO 69 -18.089 -3.010 -1.944 508 HB3 PRO 69 HB3 PRO 69 -17.159 -2.924 -3.443 509 HG2 PRO 69 HG2 PRO 69 -16.303 -3.942 -0.735 510 HG3 PRO 69 HG3 PRO 69 -16.022 -4.660 -2.336 511 HD2 PRO 69 HD2 PRO 69 -14.077 -3.297 -1.097 512 HD3 PRO 69 HD3 PRO 69 -14.299 -3.134 -2.856 513 H GLN 70 H GLN 70 -16.052 -1.544 0.486 514 HA GLN 70 HA GLN 70 -18.223 0.250 1.428 515 HB2 GLN 70 HB2 GLN 70 -18.351 -2.289 2.056 516 HB3 GLN 70 HB3 GLN 70 -16.993 -1.970 3.121 517 HG2 GLN 70 HG2 GLN 70 -19.766 -0.740 3.295 518 HG3 GLN 70 HG3 GLN 70 -19.109 -1.988 4.349 519 HE21 GLN 70 HE21 GLN 70 -17.414 -1.371 5.834 520 HE22 GLN 70 HE22 GLN 70 -17.276 0.264 6.368 521 H ASP 71 H ASP 71 -16.895 2.059 1.260 522 HA ASP 71 HA ASP 71 -15.774 3.781 2.130 523 HB2 ASP 71 HB2 ASP 71 -16.826 2.942 4.272 524 HB3 ASP 71 HB3 ASP 71 -15.328 2.079 4.611 525 H SER 72 H SER 72 -13.946 4.299 1.118 526 HA SER 72 HA SER 72 -11.674 2.554 0.841 527 HB2 SER 72 HB2 SER 72 -10.713 4.425 -0.505 528 HB3 SER 72 HB3 SER 72 -12.349 4.004 -1.015 529 HG SER 72 HG SER 72 -11.930 6.300 -0.785 530 H ARG 73 H ARG 73 -9.722 2.604 1.904 531 HA ARG 73 HA ARG 73 -9.397 4.488 4.169 532 HB2 ARG 73 HB2 ARG 73 -9.548 1.913 4.518 533 HB3 ARG 73 HB3 ARG 73 -7.930 1.838 3.830 534 HG2 ARG 73 HG2 ARG 73 -7.767 1.824 6.244 535 HG3 ARG 73 HG3 ARG 73 -7.131 3.362 5.651 536 HD2 ARG 73 HD2 ARG 73 -8.554 3.691 7.645 537 HD3 ARG 73 HD3 ARG 73 -9.263 4.484 6.233 538 HE ARG 73 HE ARG 73 -10.189 1.908 7.391 539 HH11 ARG 73 HH11 ARG 73 -10.931 4.795 5.613 540 HH12 ARG 73 HH12 ARG 73 -12.617 4.435 5.564 541 HH21 ARG 73 HH21 ARG 73 -12.360 1.496 7.280 542 HH22 ARG 73 HH22 ARG 73 -13.408 2.617 6.483 543 H ILE 74 H ILE 74 -7.476 5.672 4.393 544 HA ILE 74 HA ILE 74 -5.568 5.614 2.126 545 HB ILE 74 HB ILE 74 -6.085 7.867 4.132 546 HG12 ILE 74 HG12 ILE 74 -6.805 9.143 1.976 547 HG13 ILE 74 HG13 ILE 74 -6.896 7.567 1.203 548 HG21 ILE 74 HG21 ILE 74 -4.165 7.822 1.776 549 HG22 ILE 74 HG22 ILE 74 -3.726 7.857 3.484 550 HG23 ILE 74 HG23 ILE 74 -4.541 9.242 2.759 551 HD11 ILE 74 HD11 ILE 74 -8.514 8.477 3.582 552 HD12 ILE 74 HD12 ILE 74 -8.636 6.905 2.787 553 HD13 ILE 74 HD13 ILE 74 -9.071 8.371 1.911 554 H PHE 75 H PHE 75 -3.424 5.216 2.455 555 HA PHE 75 HA PHE 75 -2.421 4.621 5.179 556 HB2 PHE 75 HB2 PHE 75 -1.740 3.509 2.442 557 HB3 PHE 75 HB3 PHE 75 -0.547 3.420 3.728 558 HD1 PHE 75 HD2 PHE 75 -4.256 2.755 3.438 559 HD2 PHE 75 HD1 PHE 75 -0.431 1.330 4.713 560 HE1 PHE 75 HE2 PHE 75 -5.295 0.699 4.290 561 HE2 PHE 75 HE1 PHE 75 -1.483 -0.719 5.561 562 HZ PHE 75 HZ PHE 75 -3.908 -1.031 5.352 563 H LEU 76 H LEU 76 -1.511 6.543 5.915 564 HA LEU 76 HA LEU 76 0.287 8.141 4.294 565 HB2 LEU 76 HB2 LEU 76 -0.150 8.112 7.310 566 HB3 LEU 76 HB3 LEU 76 0.865 9.272 6.464 567 HG LEU 76 HG LEU 76 -2.155 8.993 6.156 568 HD11 LEU 76 HD11 LEU 76 -2.275 11.172 7.279 569 HD12 LEU 76 HD12 LEU 76 -0.522 11.179 7.492 570 HD13 LEU 76 HD13 LEU 76 -1.509 9.966 8.313 571 HD21 LEU 76 HD21 LEU 76 -0.256 10.975 4.843 572 HD22 LEU 76 HD22 LEU 76 -2.020 11.045 4.772 573 HD23 LEU 76 HD23 LEU 76 -1.164 9.695 4.033 574 H VAL 77 H VAL 77 1.982 6.909 3.539 575 HA VAL 77 HA VAL 77 3.629 5.389 5.473 576 HB VAL 77 HB VAL 77 3.616 5.137 2.435 577 HG11 VAL 77 HG11 VAL 77 5.774 4.486 3.435 578 HG12 VAL 77 HG12 VAL 77 4.924 3.065 2.832 579 HG13 VAL 77 HG13 VAL 77 4.946 3.404 4.562 580 HG21 VAL 77 HG21 VAL 77 2.404 2.990 2.778 581 HG22 VAL 77 HG22 VAL 77 1.457 4.369 3.343 582 HG23 VAL 77 HG23 VAL 77 2.288 3.333 4.507 583 H SER 78 H SER 78 5.641 6.088 5.972 584 HA SER 78 HA SER 78 7.030 8.005 4.157 585 HB2 SER 78 HB2 SER 78 7.391 7.783 7.179 586 HB3 SER 78 HB3 SER 78 8.181 8.949 6.111 587 HG SER 78 HG SER 78 6.365 10.071 5.968 588 H VAL 79 H VAL 79 8.515 6.855 3.054 589 HA VAL 79 HA VAL 79 10.241 4.866 4.420 590 HB VAL 79 HB VAL 79 9.870 5.312 1.410 591 HG11 VAL 79 HG11 VAL 79 12.013 4.266 1.959 592 HG12 VAL 79 HG12 VAL 79 10.956 3.095 1.170 593 HG13 VAL 79 HG13 VAL 79 11.195 3.029 2.919 594 HG21 VAL 79 HG21 VAL 79 8.464 3.278 1.378 595 HG22 VAL 79 HG22 VAL 79 7.736 4.551 2.361 596 HG23 VAL 79 HG23 VAL 79 8.547 3.188 3.141 597 H GLU 80 H GLU 80 12.088 5.945 5.164 598 HA GLU 80 HA GLU 80 13.698 7.607 3.481 599 HB2 GLU 80 HB2 GLU 80 13.356 9.798 4.688 600 HB3 GLU 80 HB3 GLU 80 11.971 9.278 3.733 601 HG2 GLU 80 HG2 GLU 80 10.884 8.439 5.834 602 HG3 GLU 80 HG3 GLU 80 12.248 9.072 6.756 603 H GLU 81 H GLU 81 12.892 6.867 6.882 604 HA GLU 81 HA GLU 81 15.374 7.717 7.981 605 HB2 GLU 81 HB2 GLU 81 13.307 5.790 9.122 606 HB3 GLU 81 HB3 GLU 81 14.633 6.515 10.030 607 HG2 GLU 81 HG2 GLU 81 13.661 8.778 9.558 608 HG3 GLU 81 HG3 GLU 81 12.298 7.985 8.767 609 HA PRO 82 HA PRO 82 17.603 4.419 5.929 610 HB2 PRO 82 HB2 PRO 82 19.966 5.290 7.549 611 HB3 PRO 82 HB3 PRO 82 19.771 5.218 5.796 612 HG2 PRO 82 HG2 PRO 82 19.773 7.573 7.066 613 HG3 PRO 82 HG3 PRO 82 18.667 7.289 5.703 614 HD2 PRO 82 HD2 PRO 82 18.083 7.194 8.670 615 HD3 PRO 82 HD3 PRO 82 17.144 7.959 7.364 Start of MODEL 3 1 H MET 1 H1 MET 1 -6.095 8.118 10.188 2 HA MET 1 HA MET 1 -7.277 5.722 8.922 3 HB2 MET 1 HB2 MET 1 -6.099 6.433 6.860 4 HB3 MET 1 HB3 MET 1 -7.294 7.616 7.378 5 HG2 MET 1 HG2 MET 1 -4.313 7.845 7.859 6 HG3 MET 1 HG3 MET 1 -5.199 8.638 6.555 7 HE1 MET 1 HE1 MET 1 -3.350 10.274 8.641 8 HE2 MET 1 HE2 MET 1 -4.407 11.671 8.855 9 HE3 MET 1 HE3 MET 1 -4.228 10.937 7.259 10 H THR 2 H THR 2 -5.346 4.606 7.661 11 HA THR 2 HA THR 2 -3.558 3.556 9.663 12 HB THR 2 HB THR 2 -2.699 2.250 7.485 13 HG1 THR 2 HG1 THR 2 -4.720 2.138 6.092 14 HG21 THR 2 HG21 THR 2 -3.957 1.141 9.284 15 HG22 THR 2 HG22 THR 2 -4.490 0.595 7.690 16 HG23 THR 2 HG23 THR 2 -5.476 1.741 8.605 17 H ARG 3 H ARG 3 -1.294 3.452 9.540 18 HA ARG 3 HA ARG 3 0.211 4.922 7.519 19 HB2 ARG 3 HB2 ARG 3 -0.081 6.657 9.253 20 HB3 ARG 3 HB3 ARG 3 0.489 5.547 10.498 21 HG2 ARG 3 HG2 ARG 3 2.714 5.465 9.370 22 HG3 ARG 3 HG3 ARG 3 2.136 6.625 8.181 23 HD2 ARG 3 HD2 ARG 3 1.887 8.326 9.922 24 HD3 ARG 3 HD3 ARG 3 2.372 7.155 11.159 25 HE ARG 3 HE ARG 3 4.435 7.152 9.349 26 HH11 ARG 3 HH11 ARG 3 2.959 9.661 11.223 27 HH12 ARG 3 HH12 ARG 3 4.441 10.534 11.379 28 HH21 ARG 3 HH21 ARG 3 6.287 8.273 9.571 29 HH22 ARG 3 HH22 ARG 3 6.299 9.756 10.456 30 H VAL 4 H VAL 4 1.962 3.751 6.955 31 HA VAL 4 HA VAL 4 3.207 1.855 8.877 32 HB VAL 4 HB VAL 4 2.658 1.302 5.916 33 HG11 VAL 4 HG11 VAL 4 3.688 -0.929 6.285 34 HG12 VAL 4 HG12 VAL 4 4.117 -0.460 7.932 35 HG13 VAL 4 HG13 VAL 4 4.854 0.370 6.561 36 HG21 VAL 4 HG21 VAL 4 0.638 0.991 7.288 37 HG22 VAL 4 HG22 VAL 4 1.522 -0.066 8.392 38 HG23 VAL 4 HG23 VAL 4 1.238 -0.574 6.725 39 H ARG 5 H ARG 5 5.427 1.971 8.968 40 HA ARG 5 HA ARG 5 6.780 4.066 7.429 41 HB2 ARG 5 HB2 ARG 5 7.118 3.963 9.890 42 HB3 ARG 5 HB3 ARG 5 7.786 2.341 9.740 43 HG2 ARG 5 HG2 ARG 5 9.672 3.262 8.403 44 HG3 ARG 5 HG3 ARG 5 9.010 4.885 8.602 45 HD2 ARG 5 HD2 ARG 5 9.935 3.085 10.872 46 HD3 ARG 5 HD3 ARG 5 10.894 4.387 10.161 47 HE ARG 5 HE ARG 5 8.512 5.538 10.973 48 HH11 ARG 5 HH11 ARG 5 11.142 3.900 12.555 49 HH12 ARG 5 HH12 ARG 5 10.920 4.786 14.025 50 HH21 ARG 5 HH21 ARG 5 8.276 6.629 12.845 51 HH22 ARG 5 HH22 ARG 5 9.315 6.301 14.187 52 H SER 6 H SER 6 8.461 3.722 6.018 53 HA SER 6 HA SER 6 9.446 0.971 5.507 54 HB2 SER 6 HB2 SER 6 8.047 1.672 3.607 55 HB3 SER 6 HB3 SER 6 8.933 3.192 3.472 56 HG SER 6 HG SER 6 10.562 2.180 2.538 57 H THR 7 H THR 7 11.693 0.838 4.933 58 HA THR 7 HA THR 7 13.365 3.168 5.670 59 HB THR 7 HB THR 7 15.249 1.313 5.607 60 HG1 THR 7 HG1 THR 7 12.893 -0.281 5.811 61 HG21 THR 7 HG21 THR 7 14.825 0.743 7.966 62 HG22 THR 7 HG22 THR 7 13.175 1.355 7.828 63 HG23 THR 7 HG23 THR 7 14.550 2.460 7.653 64 HA PRO 8 HA PRO 8 14.548 4.073 1.538 65 HB2 PRO 8 HB2 PRO 8 17.162 4.888 1.797 66 HB3 PRO 8 HB3 PRO 8 15.791 5.821 2.418 67 HG2 PRO 8 HG2 PRO 8 17.550 3.877 3.912 68 HG3 PRO 8 HG3 PRO 8 17.117 5.549 4.347 69 HD2 PRO 8 HD2 PRO 8 15.789 3.509 5.431 70 HD3 PRO 8 HD3 PRO 8 14.906 4.965 4.914 71 H GLY 9 H GLY 9 14.334 2.074 0.502 72 HA2 GLY 9 HA2 GLY 9 15.312 0.831 -1.266 73 HA3 GLY 9 HA3 GLY 9 16.874 0.925 -0.472 74 H GLY 10 H GLY 10 13.813 -0.085 1.001 75 HA2 GLY 10 HA2 GLY 10 14.689 -2.935 1.001 76 HA3 GLY 10 HA3 GLY 10 14.073 -2.156 2.453 77 H ASP 11 H ASP 11 12.838 -4.449 1.566 78 HA ASP 11 HA ASP 11 10.608 -3.965 -0.157 79 HB2 ASP 11 HB2 ASP 11 11.520 -6.235 0.157 80 HB3 ASP 11 HB3 ASP 11 11.066 -6.205 1.862 81 H LEU 12 H LEU 12 8.519 -3.500 0.291 82 HA LEU 12 HA LEU 12 7.758 -2.604 3.020 83 HB2 LEU 12 HB2 LEU 12 7.760 -0.816 1.304 84 HB3 LEU 12 HB3 LEU 12 6.727 -1.786 0.266 85 HG LEU 12 HG LEU 12 4.900 -1.597 2.003 86 HD11 LEU 12 HD11 LEU 12 6.261 -1.153 3.993 87 HD12 LEU 12 HD12 LEU 12 5.054 0.108 3.759 88 HD13 LEU 12 HD13 LEU 12 6.740 0.417 3.339 89 HD21 LEU 12 HD21 LEU 12 4.914 -0.154 0.017 90 HD22 LEU 12 HD22 LEU 12 5.900 1.037 0.870 91 HD23 LEU 12 HD23 LEU 12 4.256 0.697 1.415 92 H GLU 13 H GLU 13 5.715 -3.308 3.850 93 HA GLU 13 HA GLU 13 3.889 -4.805 2.105 94 HB2 GLU 13 HB2 GLU 13 5.155 -6.592 3.248 95 HB3 GLU 13 HB3 GLU 13 4.819 -5.861 4.814 96 HG2 GLU 13 HG2 GLU 13 2.419 -6.311 4.537 97 HG3 GLU 13 HG3 GLU 13 2.716 -6.971 2.931 98 H LEU 14 H LEU 14 1.843 -4.121 2.376 99 HA LEU 14 HA LEU 14 1.110 -2.522 4.763 100 HB2 LEU 14 HB2 LEU 14 -0.169 -2.528 1.994 101 HB3 LEU 14 HB3 LEU 14 -0.645 -1.509 3.349 102 HG LEU 14 HG LEU 14 1.950 -1.366 1.761 103 HD11 LEU 14 HD11 LEU 14 1.221 0.894 1.168 104 HD12 LEU 14 HD12 LEU 14 -0.276 0.665 2.077 105 HD13 LEU 14 HD13 LEU 14 0.050 -0.319 0.649 106 HD21 LEU 14 HD21 LEU 14 2.496 -0.985 4.111 107 HD22 LEU 14 HD22 LEU 14 1.228 0.237 4.237 108 HD23 LEU 14 HD23 LEU 14 2.625 0.513 3.195 109 H VAL 15 H VAL 15 0.200 -3.865 6.175 110 HA VAL 15 HA VAL 15 -1.464 -6.131 5.361 111 HB VAL 15 HB VAL 15 -0.640 -5.246 8.171 112 HG11 VAL 15 HG11 VAL 15 -1.824 -7.887 7.214 113 HG12 VAL 15 HG12 VAL 15 -2.648 -6.671 8.194 114 HG13 VAL 15 HG13 VAL 15 -1.270 -7.548 8.856 115 HG21 VAL 15 HG21 VAL 15 1.090 -7.022 8.055 116 HG22 VAL 15 HG22 VAL 15 1.353 -5.791 6.818 117 HG23 VAL 15 HG23 VAL 15 0.651 -7.349 6.377 118 H VAL 16 H VAL 16 -3.598 -5.974 5.242 119 HA VAL 16 HA VAL 16 -4.973 -3.539 6.227 120 HB VAL 16 HB VAL 16 -5.642 -5.417 3.922 121 HG11 VAL 16 HG11 VAL 16 -7.334 -3.769 3.234 122 HG12 VAL 16 HG12 VAL 16 -7.015 -2.826 4.692 123 HG13 VAL 16 HG13 VAL 16 -7.698 -4.446 4.823 124 HG21 VAL 16 HG21 VAL 16 -4.976 -3.560 2.453 125 HG22 VAL 16 HG22 VAL 16 -3.638 -4.069 3.483 126 HG23 VAL 16 HG23 VAL 16 -4.527 -2.595 3.858 127 H HIS 17 H HIS 17 -6.541 -3.716 7.714 128 HA HIS 17 HA HIS 17 -8.297 -6.063 7.836 129 HB2 HIS 17 HB2 HIS 17 -6.726 -4.973 10.209 130 HB3 HIS 17 HB3 HIS 17 -8.176 -5.945 10.416 131 HD1 HIS 17 HD1 HIS 17 -4.604 -6.310 10.231 132 HD2 HIS 17 HD2 HIS 17 -7.870 -8.590 9.037 133 HE1 HIS 17 HE1 HIS 17 -3.720 -8.631 9.896 134 HE2 HIS 17 HE2 HIS 17 -5.740 -10.018 9.337 135 H LEU 18 H LEU 18 -8.521 -3.207 6.884 136 HA LEU 18 HA LEU 18 -10.388 -1.799 8.421 137 HB2 LEU 18 HB2 LEU 18 -11.280 -0.940 6.162 138 HB3 LEU 18 HB3 LEU 18 -9.608 -0.630 6.564 139 HG LEU 18 HG LEU 18 -8.883 -2.398 5.004 140 HD11 LEU 18 HD11 LEU 18 -11.768 -2.750 4.192 141 HD12 LEU 18 HD12 LEU 18 -10.766 -3.937 5.031 142 HD13 LEU 18 HD13 LEU 18 -10.361 -3.453 3.383 143 HD21 LEU 18 HD21 LEU 18 -9.402 -1.248 2.899 144 HD22 LEU 18 HD22 LEU 18 -9.013 -0.115 4.189 145 HD23 LEU 18 HD23 LEU 18 -10.694 -0.353 3.707 146 H SER 19 H SER 19 -12.790 -1.477 7.720 147 HA SER 19 HA SER 19 -14.104 -4.055 8.244 148 HB2 SER 19 HB2 SER 19 -14.537 -2.084 9.736 149 HB3 SER 19 HB3 SER 19 -15.234 -1.220 8.369 150 HG SER 19 HG SER 19 -17.029 -2.184 8.799 151 H GLY 20 H GLY 20 -13.125 -3.439 5.522 152 HA2 GLY 20 HA2 GLY 20 -15.666 -3.495 3.969 153 HA3 GLY 20 HA3 GLY 20 -14.135 -2.918 3.349 154 HA PRO 21 HA PRO 21 -13.760 -7.757 3.472 155 HB2 PRO 21 HB2 PRO 21 -16.380 -8.956 4.016 156 HB3 PRO 21 HB3 PRO 21 -14.901 -9.054 4.974 157 HG2 PRO 21 HG2 PRO 21 -17.134 -7.699 5.817 158 HG3 PRO 21 HG3 PRO 21 -15.484 -7.279 6.324 159 HD2 PRO 21 HD2 PRO 21 -17.175 -6.015 4.151 160 HD3 PRO 21 HD3 PRO 21 -16.202 -5.230 5.421 161 H GLY 22 H GLY 22 -14.533 -9.674 2.063 162 HA2 GLY 22 HA2 GLY 22 -15.310 -10.562 0.087 163 HA3 GLY 22 HA3 GLY 22 -16.486 -9.262 -0.011 164 H GLY 23 H GLY 23 -15.799 -7.215 -0.967 165 HA2 GLY 23 HA2 GLY 23 -13.927 -5.955 -2.026 166 HA3 GLY 23 HA3 GLY 23 -13.480 -7.451 -2.829 167 HA PRO 24 HA PRO 24 -12.680 -6.924 -4.688 168 HB2 PRO 24 HB2 PRO 24 -12.224 -5.563 -6.992 169 HB3 PRO 24 HB3 PRO 24 -13.059 -7.124 -6.979 170 HG2 PRO 24 HG2 PRO 24 -14.234 -4.347 -7.145 171 HG3 PRO 24 HG3 PRO 24 -14.651 -5.799 -8.082 172 HD2 PRO 24 HD2 PRO 24 -16.090 -4.945 -5.889 173 HD3 PRO 24 HD3 PRO 24 -16.015 -6.643 -6.403 174 H VAL 25 H VAL 25 -11.443 -5.880 -3.239 175 HA VAL 25 HA VAL 25 -11.521 -3.005 -2.805 176 HB VAL 25 HB VAL 25 -9.629 -5.062 -1.570 177 HG11 VAL 25 HG11 VAL 25 -9.289 -3.361 0.205 178 HG12 VAL 25 HG12 VAL 25 -10.315 -2.231 -0.680 179 HG13 VAL 25 HG13 VAL 25 -8.785 -2.764 -1.379 180 HG21 VAL 25 HG21 VAL 25 -12.275 -4.036 -0.452 181 HG22 VAL 25 HG22 VAL 25 -11.137 -5.084 0.399 182 HG23 VAL 25 HG23 VAL 25 -11.961 -5.669 -1.046 183 H ARG 26 H ARG 26 -10.241 -1.584 -3.858 184 HA ARG 26 HA ARG 26 -7.997 -2.562 -5.527 185 HB2 ARG 26 HB2 ARG 26 -9.701 -0.046 -5.735 186 HB3 ARG 26 HB3 ARG 26 -8.302 -0.375 -6.760 187 HG2 ARG 26 HG2 ARG 26 -9.423 -2.396 -7.643 188 HG3 ARG 26 HG3 ARG 26 -10.829 -2.065 -6.624 189 HD2 ARG 26 HD2 ARG 26 -11.293 -0.020 -7.829 190 HD3 ARG 26 HD3 ARG 26 -9.781 -0.149 -8.737 191 HE ARG 26 HE ARG 26 -11.417 -2.437 -9.150 192 HH11 ARG 26 HH11 ARG 26 -11.197 0.888 -10.099 193 HH12 ARG 26 HH12 ARG 26 -11.948 0.601 -11.627 194 HH21 ARG 26 HH21 ARG 26 -12.308 -2.781 -11.105 195 HH22 ARG 26 HH22 ARG 26 -12.574 -1.464 -12.193 196 H TRP 27 H TRP 27 -6.090 -1.261 -5.717 197 HA TRP 27 HA TRP 27 -5.452 0.488 -3.405 198 HB2 TRP 27 HB2 TRP 27 -3.701 -1.401 -5.032 199 HB3 TRP 27 HB3 TRP 27 -3.003 -0.112 -4.058 200 HD1 TRP 27 HD1 TRP 27 -4.523 -3.585 -3.733 201 HE1 TRP 27 HE1 TRP 27 -4.279 -4.348 -1.290 202 HE3 TRP 27 HE3 TRP 27 -3.054 0.847 -1.632 203 HZ2 TRP 27 HZ2 TRP 27 -3.568 -3.226 1.175 204 HZ3 TRP 27 HZ3 TRP 27 -2.620 0.918 0.791 205 HH2 TRP 27 HH2 TRP 27 -2.879 -1.085 2.170 206 H TYR 28 H TYR 28 -4.753 2.555 -3.824 207 HA TYR 28 HA TYR 28 -3.896 3.300 -6.575 208 HB2 TYR 28 HB2 TYR 28 -5.833 4.875 -4.813 209 HB3 TYR 28 HB3 TYR 28 -5.130 5.483 -6.308 210 HD1 TYR 28 HD1 TYR 28 -5.861 4.567 -8.506 211 HD2 TYR 28 HD2 TYR 28 -7.690 3.240 -4.872 212 HE1 TYR 28 HE1 TYR 28 -7.722 3.642 -9.792 213 HE2 TYR 28 HE2 TYR 28 -9.554 2.294 -6.174 214 HH TYR 28 HH TYR 28 -10.629 2.608 -8.362 215 H LYS 29 H LYS 29 -1.885 4.201 -6.490 216 HA LYS 29 HA LYS 29 -0.956 5.515 -4.011 217 HB2 LYS 29 HB2 LYS 29 0.538 3.783 -4.626 218 HB3 LYS 29 HB3 LYS 29 0.520 4.213 -6.315 219 HG2 LYS 29 HG2 LYS 29 2.663 4.767 -5.196 220 HG3 LYS 29 HG3 LYS 29 1.880 6.182 -5.901 221 HD2 LYS 29 HD2 LYS 29 1.101 6.902 -3.685 222 HD3 LYS 29 HD3 LYS 29 1.764 5.441 -2.945 223 HE2 LYS 29 HE2 LYS 29 3.233 7.386 -2.578 224 HE3 LYS 29 HE3 LYS 29 4.030 6.161 -3.553 225 HZ1 LYS 29 HZ1 LYS 29 3.485 7.467 -5.534 226 HZ2 LYS 29 HZ2 LYS 29 4.437 8.333 -4.442 227 HZ3 LYS 29 HZ3 LYS 29 2.785 8.659 -4.553 228 H ASP 30 H ASP 30 -1.217 7.572 -3.966 229 HA ASP 30 HA ASP 30 -1.378 9.768 -4.359 230 HB2 ASP 30 HB2 ASP 30 1.087 9.264 -4.662 231 HB3 ASP 30 HB3 ASP 30 0.822 9.320 -6.404 232 H GLY 31 H GLY 31 -2.765 7.861 -6.621 233 HA2 GLY 31 HA2 GLY 31 -4.527 9.384 -7.849 234 HA3 GLY 31 HA3 GLY 31 -3.107 9.893 -8.750 235 H GLU 32 H GLU 32 -1.978 7.044 -8.675 236 HA GLU 32 HA GLU 32 -3.803 5.882 -10.740 237 HB2 GLU 32 HB2 GLU 32 -1.531 6.571 -11.600 238 HB3 GLU 32 HB3 GLU 32 -0.790 5.408 -10.520 239 HG2 GLU 32 HG2 GLU 32 -0.884 4.260 -12.578 240 HG3 GLU 32 HG3 GLU 32 -2.248 3.625 -11.690 241 H ARG 33 H ARG 33 -4.245 3.689 -10.711 242 HA ARG 33 HA ARG 33 -4.163 2.319 -8.221 243 HB2 ARG 33 HB2 ARG 33 -5.210 0.462 -9.327 244 HB3 ARG 33 HB3 ARG 33 -5.988 1.932 -9.848 245 HG2 ARG 33 HG2 ARG 33 -3.840 0.628 -11.528 246 HG3 ARG 33 HG3 ARG 33 -5.515 0.058 -11.602 247 HD2 ARG 33 HD2 ARG 33 -6.261 2.284 -12.288 248 HD3 ARG 33 HD3 ARG 33 -4.614 2.904 -12.135 249 HE ARG 33 HE ARG 33 -4.471 0.816 -13.936 250 HH11 ARG 33 HH11 ARG 33 -6.168 3.837 -13.836 251 HH12 ARG 33 HH12 ARG 33 -6.089 4.037 -15.550 252 HH21 ARG 33 HH21 ARG 33 -4.375 1.134 -16.113 253 HH22 ARG 33 HH22 ARG 33 -5.100 2.540 -16.807 254 H LEU 34 H LEU 34 -3.133 0.385 -7.661 255 HA LEU 34 HA LEU 34 -0.529 -0.167 -8.901 256 HB2 LEU 34 HB2 LEU 34 -1.789 -1.285 -6.362 257 HB3 LEU 34 HB3 LEU 34 -0.266 -1.849 -6.997 258 HG LEU 34 HG LEU 34 0.132 -0.333 -5.147 259 HD11 LEU 34 HD11 LEU 34 1.677 1.239 -6.191 260 HD12 LEU 34 HD12 LEU 34 0.915 0.978 -7.763 261 HD13 LEU 34 HD13 LEU 34 1.766 -0.345 -6.961 262 HD21 LEU 34 HD21 LEU 34 -0.508 2.035 -5.203 263 HD22 LEU 34 HD22 LEU 34 -1.916 0.978 -5.226 264 HD23 LEU 34 HD23 LEU 34 -1.387 1.763 -6.715 265 H ALA 35 H ALA 35 0.076 -2.271 -9.497 266 HA ALA 35 HA ALA 35 -1.952 -4.320 -10.027 267 HB1 ALA 35 HB1 ALA 35 -2.027 -2.858 -12.017 268 HB2 ALA 35 HB2 ALA 35 -1.357 -4.440 -12.428 269 HB3 ALA 35 HB3 ALA 35 -0.287 -3.046 -12.238 270 H SER 36 H SER 36 -1.060 -6.281 -9.618 271 HA SER 36 HA SER 36 1.412 -6.535 -8.364 272 HB2 SER 36 HB2 SER 36 1.013 -9.040 -8.537 273 HB3 SER 36 HB3 SER 36 -0.329 -8.120 -7.865 274 HG SER 36 HG SER 36 -0.214 -8.715 -10.627 275 H GLN 37 H GLN 37 3.302 -6.069 -9.346 276 HA GLN 37 HA GLN 37 4.290 -7.539 -11.642 277 HB2 GLN 37 HB2 GLN 37 2.828 -5.782 -12.664 278 HB3 GLN 37 HB3 GLN 37 3.774 -4.537 -11.887 279 HG2 GLN 37 HG2 GLN 37 4.340 -4.788 -14.270 280 HG3 GLN 37 HG3 GLN 37 5.723 -5.105 -13.225 281 HE21 GLN 37 HE21 GLN 37 6.572 -7.205 -13.150 282 HE22 GLN 37 HE22 GLN 37 6.111 -8.437 -14.265 283 H GLY 38 H GLY 38 6.327 -7.970 -11.004 284 HA2 GLY 38 HA2 GLY 38 8.532 -7.719 -10.427 285 HA3 GLY 38 HA3 GLY 38 8.362 -6.017 -10.804 286 H ARG 39 H ARG 39 7.922 -4.541 -9.145 287 HA ARG 39 HA ARG 39 8.734 -5.195 -6.463 288 HB2 ARG 39 HB2 ARG 39 7.531 -2.647 -7.627 289 HB3 ARG 39 HB3 ARG 39 8.134 -2.798 -5.976 290 HG2 ARG 39 HG2 ARG 39 10.409 -3.261 -6.877 291 HG3 ARG 39 HG3 ARG 39 9.788 -3.015 -8.517 292 HD2 ARG 39 HD2 ARG 39 9.278 -0.706 -8.062 293 HD3 ARG 39 HD3 ARG 39 9.553 -0.921 -6.327 294 HE ARG 39 HE ARG 39 11.816 -1.358 -8.128 295 HH11 ARG 39 HH11 ARG 39 10.288 0.711 -5.805 296 HH12 ARG 39 HH12 ARG 39 11.705 1.665 -5.580 297 HH21 ARG 39 HH21 ARG 39 13.602 -0.088 -7.827 298 HH22 ARG 39 HH22 ARG 39 13.544 1.238 -6.718 299 H VAL 40 H VAL 40 5.626 -4.490 -8.074 300 HA VAL 40 HA VAL 40 4.162 -4.185 -5.599 301 HB VAL 40 HB VAL 40 3.061 -4.422 -8.438 302 HG11 VAL 40 HG11 VAL 40 1.349 -4.876 -6.751 303 HG12 VAL 40 HG12 VAL 40 1.038 -3.330 -7.540 304 HG13 VAL 40 HG13 VAL 40 1.741 -3.370 -5.923 305 HG21 VAL 40 HG21 VAL 40 4.631 -2.522 -8.259 306 HG22 VAL 40 HG22 VAL 40 3.744 -1.908 -6.863 307 HG23 VAL 40 HG23 VAL 40 2.972 -1.950 -8.450 308 H GLN 41 H GLN 41 3.907 -5.991 -4.385 309 HA GLN 41 HA GLN 41 2.981 -8.511 -5.659 310 HB2 GLN 41 HB2 GLN 41 4.263 -8.117 -2.922 311 HB3 GLN 41 HB3 GLN 41 3.799 -9.661 -3.628 312 HG2 GLN 41 HG2 GLN 41 5.936 -7.792 -4.713 313 HG3 GLN 41 HG3 GLN 41 6.237 -9.237 -3.752 314 HE21 GLN 41 HE21 GLN 41 5.866 -11.290 -4.712 315 HE22 GLN 41 HE22 GLN 41 5.789 -11.479 -6.425 316 H LEU 42 H LEU 42 0.809 -8.469 -5.667 317 HA LEU 42 HA LEU 42 -0.714 -7.392 -3.392 318 HB2 LEU 42 HB2 LEU 42 -1.503 -8.058 -6.249 319 HB3 LEU 42 HB3 LEU 42 -2.679 -7.611 -5.018 320 HG LEU 42 HG LEU 42 -0.390 -5.830 -5.974 321 HD11 LEU 42 HD11 LEU 42 -2.092 -6.068 -7.716 322 HD12 LEU 42 HD12 LEU 42 -2.124 -4.445 -7.030 323 HD13 LEU 42 HD13 LEU 42 -3.359 -5.621 -6.569 324 HD21 LEU 42 HD21 LEU 42 -2.667 -5.213 -4.052 325 HD22 LEU 42 HD22 LEU 42 -1.472 -4.057 -4.647 326 HD23 LEU 42 HD23 LEU 42 -0.962 -5.396 -3.625 327 H GLU 43 H GLU 43 -2.140 -8.558 -2.212 328 HA GLU 43 HA GLU 43 -2.843 -11.329 -2.929 329 HB2 GLU 43 HB2 GLU 43 -0.943 -11.426 -1.289 330 HB3 GLU 43 HB3 GLU 43 -1.893 -10.478 -0.150 331 HG2 GLU 43 HG2 GLU 43 -3.565 -12.303 -0.033 332 HG3 GLU 43 HG3 GLU 43 -2.591 -13.252 -1.156 333 H GLN 44 H GLN 44 -4.977 -11.816 -2.456 334 HA GLN 44 HA GLN 44 -6.611 -9.793 -1.046 335 HB2 GLN 44 HB2 GLN 44 -8.407 -10.075 -2.762 336 HB3 GLN 44 HB3 GLN 44 -6.954 -9.317 -3.384 337 HG2 GLN 44 HG2 GLN 44 -7.643 -12.241 -3.824 338 HG3 GLN 44 HG3 GLN 44 -8.095 -10.958 -4.939 339 HE21 GLN 44 HE21 GLN 44 -6.406 -9.881 -6.096 340 HE22 GLN 44 HE22 GLN 44 -4.877 -10.641 -6.350 341 H ALA 45 H ALA 45 -7.206 -10.785 0.729 342 HA ALA 45 HA ALA 45 -8.341 -13.529 0.710 343 HB1 ALA 45 HB1 ALA 45 -6.324 -13.227 2.109 344 HB2 ALA 45 HB2 ALA 45 -7.734 -13.602 3.102 345 HB3 ALA 45 HB3 ALA 45 -7.134 -11.943 3.009 346 H GLY 46 H GLY 46 -9.658 -10.829 0.095 347 HA2 GLY 46 HA2 GLY 46 -11.970 -10.334 0.246 348 HA3 GLY 46 HA3 GLY 46 -12.056 -11.180 1.781 349 H ALA 47 H ALA 47 -11.389 -10.095 3.709 350 HA ALA 47 HA ALA 47 -11.516 -7.179 3.681 351 HB1 ALA 47 HB1 ALA 47 -12.687 -8.458 5.440 352 HB2 ALA 47 HB2 ALA 47 -11.482 -7.377 6.144 353 HB3 ALA 47 HB3 ALA 47 -11.145 -9.105 6.007 354 H ARG 48 H ARG 48 -9.147 -9.710 4.445 355 HA ARG 48 HA ARG 48 -6.967 -7.905 5.010 356 HB2 ARG 48 HB2 ARG 48 -7.032 -10.107 6.096 357 HB3 ARG 48 HB3 ARG 48 -7.004 -10.911 4.530 358 HG2 ARG 48 HG2 ARG 48 -4.714 -9.879 4.142 359 HG3 ARG 48 HG3 ARG 48 -4.761 -9.316 5.818 360 HD2 ARG 48 HD2 ARG 48 -4.932 -11.645 6.602 361 HD3 ARG 48 HD3 ARG 48 -4.940 -12.218 4.925 362 HE ARG 48 HE ARG 48 -2.639 -10.661 5.896 363 HH11 ARG 48 HH11 ARG 48 -3.850 -13.711 4.778 364 HH12 ARG 48 HH12 ARG 48 -2.268 -14.388 4.657 365 HH21 ARG 48 HH21 ARG 48 -0.666 -11.561 5.739 366 HH22 ARG 48 HH22 ARG 48 -0.493 -13.192 5.185 367 H GLN 49 H GLN 49 -6.347 -6.665 3.311 368 HA GLN 49 HA GLN 49 -5.533 -7.943 0.763 369 HB2 GLN 49 HB2 GLN 49 -5.872 -4.978 1.426 370 HB3 GLN 49 HB3 GLN 49 -5.504 -5.647 -0.165 371 HG2 GLN 49 HG2 GLN 49 -8.055 -6.202 1.388 372 HG3 GLN 49 HG3 GLN 49 -7.900 -4.962 0.147 373 HE21 GLN 49 HE21 GLN 49 -9.646 -7.341 0.246 374 HE22 GLN 49 HE22 GLN 49 -9.297 -8.233 -1.189 375 H VAL 50 H VAL 50 -3.395 -7.443 -0.073 376 HA VAL 50 HA VAL 50 -1.428 -6.330 1.850 377 HB VAL 50 HB VAL 50 -0.986 -8.909 0.261 378 HG11 VAL 50 HG11 VAL 50 0.882 -7.487 2.197 379 HG12 VAL 50 HG12 VAL 50 1.094 -7.625 0.451 380 HG13 VAL 50 HG13 VAL 50 1.182 -9.066 1.463 381 HG21 VAL 50 HG21 VAL 50 -1.308 -8.575 3.273 382 HG22 VAL 50 HG22 VAL 50 -0.887 -10.078 2.446 383 HG23 VAL 50 HG23 VAL 50 -2.468 -9.339 2.182 384 H LEU 51 H LEU 51 -0.593 -4.576 0.824 385 HA LEU 51 HA LEU 51 0.292 -4.825 -2.009 386 HB2 LEU 51 HB2 LEU 51 -1.231 -2.931 -1.647 387 HB3 LEU 51 HB3 LEU 51 -0.247 -2.328 -0.343 388 HG LEU 51 HG LEU 51 -0.156 -1.051 -2.596 389 HD11 LEU 51 HD11 LEU 51 2.195 -0.479 -2.446 390 HD12 LEU 51 HD12 LEU 51 2.520 -1.913 -1.470 391 HD13 LEU 51 HD13 LEU 51 1.493 -0.627 -0.837 392 HD21 LEU 51 HD21 LEU 51 1.359 -1.904 -4.319 393 HD22 LEU 51 HD22 LEU 51 -0.026 -2.967 -4.089 394 HD23 LEU 51 HD23 LEU 51 1.546 -3.417 -3.425 395 H ARG 52 H ARG 52 2.386 -5.346 -2.191 396 HA ARG 52 HA ARG 52 4.352 -4.340 -0.200 397 HB2 ARG 52 HB2 ARG 52 4.587 -6.751 -2.052 398 HB3 ARG 52 HB3 ARG 52 5.790 -6.227 -0.872 399 HG2 ARG 52 HG2 ARG 52 4.259 -6.731 0.965 400 HG3 ARG 52 HG3 ARG 52 2.992 -7.183 -0.182 401 HD2 ARG 52 HD2 ARG 52 4.443 -9.017 -1.018 402 HD3 ARG 52 HD3 ARG 52 5.659 -8.579 0.187 403 HE ARG 52 HE ARG 52 3.638 -9.017 1.798 404 HH11 ARG 52 HH11 ARG 52 4.493 -10.916 -0.971 405 HH12 ARG 52 HH12 ARG 52 3.885 -12.370 -0.271 406 HH21 ARG 52 HH21 ARG 52 2.885 -10.874 2.646 407 HH22 ARG 52 HH22 ARG 52 2.975 -12.348 1.735 408 H VAL 53 H VAL 53 6.096 -3.142 -0.914 409 HA VAL 53 HA VAL 53 6.647 -2.923 -3.829 410 HB VAL 53 HB VAL 53 6.791 -0.605 -1.827 411 HG11 VAL 53 HG11 VAL 53 7.439 0.809 -3.777 412 HG12 VAL 53 HG12 VAL 53 7.494 -0.631 -4.797 413 HG13 VAL 53 HG13 VAL 53 8.630 -0.457 -3.459 414 HG21 VAL 53 HG21 VAL 53 4.466 -1.071 -2.499 415 HG22 VAL 53 HG22 VAL 53 4.917 -0.990 -4.203 416 HG23 VAL 53 HG23 VAL 53 5.010 0.458 -3.197 417 H GLN 54 H GLN 54 8.432 -4.216 -3.929 418 HA GLN 54 HA GLN 54 10.464 -4.284 -1.902 419 HB2 GLN 54 HB2 GLN 54 9.760 -6.170 -3.578 420 HB3 GLN 54 HB3 GLN 54 10.851 -5.387 -4.707 421 HG2 GLN 54 HG2 GLN 54 11.855 -6.194 -1.972 422 HG3 GLN 54 HG3 GLN 54 11.661 -7.418 -3.218 423 HE21 GLN 54 HE21 GLN 54 13.903 -7.835 -3.150 424 HE22 GLN 54 HE22 GLN 54 15.056 -6.770 -3.861 425 H GLY 55 H GLY 55 12.118 -2.889 -1.639 426 HA2 GLY 55 HA2 GLY 55 13.881 -1.462 -2.178 427 HA3 GLY 55 HA3 GLY 55 13.420 -1.535 -3.875 428 H ALA 56 H ALA 56 11.252 -0.676 -1.215 429 HA ALA 56 HA ALA 56 10.421 1.799 -2.277 430 HB1 ALA 56 HB1 ALA 56 9.031 0.484 -0.729 431 HB2 ALA 56 HB2 ALA 56 9.267 2.125 -0.122 432 HB3 ALA 56 HB3 ALA 56 10.180 0.789 0.579 433 H ARG 57 H ARG 57 12.074 3.236 -2.712 434 HA ARG 57 HA ARG 57 14.343 3.491 -0.903 435 HB2 ARG 57 HB2 ARG 57 14.656 3.116 -3.342 436 HB3 ARG 57 HB3 ARG 57 13.920 4.676 -3.669 437 HG2 ARG 57 HG2 ARG 57 16.330 4.867 -3.851 438 HG3 ARG 57 HG3 ARG 57 15.784 5.795 -2.450 439 HD2 ARG 57 HD2 ARG 57 16.437 3.899 -0.975 440 HD3 ARG 57 HD3 ARG 57 17.026 3.020 -2.391 441 HE ARG 57 HE ARG 57 18.329 5.472 -2.364 442 HH11 ARG 57 HH11 ARG 57 18.218 2.662 -0.331 443 HH12 ARG 57 HH12 ARG 57 19.821 2.912 0.258 444 HH21 ARG 57 HH21 ARG 57 20.373 5.740 -1.593 445 HH22 ARG 57 HH22 ARG 57 21.026 4.618 -0.450 446 H SER 58 H SER 58 12.169 5.883 -2.542 447 HA SER 58 HA SER 58 12.265 7.710 -0.300 448 HB2 SER 58 HB2 SER 58 14.486 8.217 -1.241 449 HB3 SER 58 HB3 SER 58 13.784 8.494 -2.832 450 HG SER 58 HG SER 58 14.239 10.386 -1.378 451 H GLY 59 H GLY 59 11.855 7.922 -3.876 452 HA2 GLY 59 HA2 GLY 59 9.527 9.563 -3.844 453 HA3 GLY 59 HA3 GLY 59 10.087 8.587 -5.194 454 H ASP 60 H ASP 60 9.884 6.286 -3.047 455 HA ASP 60 HA ASP 60 7.273 5.301 -3.753 456 HB2 ASP 60 HB2 ASP 60 9.314 4.167 -1.791 457 HB3 ASP 60 HB3 ASP 60 7.969 3.292 -2.522 458 H ALA 61 H ALA 61 8.244 7.482 -1.398 459 HA ALA 61 HA ALA 61 6.452 6.702 0.758 460 HB1 ALA 61 HB1 ALA 61 7.136 8.836 1.802 461 HB2 ALA 61 HB2 ALA 61 8.000 9.290 0.330 462 HB3 ALA 61 HB3 ALA 61 8.542 7.907 1.276 463 H GLY 62 H GLY 62 4.354 7.251 0.882 464 HA2 GLY 62 HA2 GLY 62 3.087 9.587 0.261 465 HA3 GLY 62 HA3 GLY 62 3.070 8.694 -1.254 466 H GLU 63 H GLU 63 0.718 9.085 -0.772 467 HA GLU 63 HA GLU 63 -0.538 7.400 1.244 468 HB2 GLU 63 HB2 GLU 63 -1.757 9.249 -0.848 469 HB3 GLU 63 HB3 GLU 63 -2.636 8.458 0.463 470 HG2 GLU 63 HG2 GLU 63 -1.455 9.758 2.130 471 HG3 GLU 63 HG3 GLU 63 -0.361 10.421 0.920 472 H TYR 64 H TYR 64 -0.684 5.290 0.757 473 HA TYR 64 HA TYR 64 -1.645 4.381 -1.881 474 HB2 TYR 64 HB2 TYR 64 -0.601 2.814 0.522 475 HB3 TYR 64 HB3 TYR 64 -1.183 2.081 -0.968 476 HD1 TYR 64 HD2 TYR 64 1.402 4.555 0.236 477 HD2 TYR 64 HD1 TYR 64 0.382 1.587 -2.669 478 HE1 TYR 64 HE2 TYR 64 3.684 4.655 -0.676 479 HE2 TYR 64 HE1 TYR 64 2.658 1.699 -3.588 480 HH TYR 64 HH TYR 64 5.218 3.334 -1.980 481 H LEU 65 H LEU 65 -3.785 4.307 -2.071 482 HA LEU 65 HA LEU 65 -5.561 4.416 0.242 483 HB2 LEU 65 HB2 LEU 65 -5.759 6.176 -1.459 484 HB3 LEU 65 HB3 LEU 65 -5.972 4.974 -2.720 485 HG LEU 65 HG LEU 65 -8.159 4.308 -1.668 486 HD11 LEU 65 HD11 LEU 65 -9.218 5.772 -0.007 487 HD12 LEU 65 HD12 LEU 65 -7.728 6.704 0.146 488 HD13 LEU 65 HD13 LEU 65 -7.766 5.010 0.641 489 HD21 LEU 65 HD21 LEU 65 -9.422 6.240 -2.484 490 HD22 LEU 65 HD22 LEU 65 -8.084 5.869 -3.571 491 HD23 LEU 65 HD23 LEU 65 -7.962 7.234 -2.457 492 H CYS 66 H CYS 66 -6.012 2.348 0.930 493 HA CYS 66 HA CYS 66 -6.749 0.189 -0.867 494 HB2 CYS 66 HB2 CYS 66 -5.684 -0.240 1.336 495 HB3 CYS 66 HB3 CYS 66 -7.092 0.434 2.149 496 HG CYS 66 HG CYS 66 -8.827 -1.586 1.338 497 H ASP 67 H ASP 67 -8.403 1.062 -2.078 498 HA ASP 67 HA ASP 67 -10.751 2.298 -0.973 499 HB2 ASP 67 HB2 ASP 67 -9.650 2.862 -3.206 500 HB3 ASP 67 HB3 ASP 67 -10.268 1.339 -3.829 501 H ALA 68 H ALA 68 -11.697 0.744 0.381 502 HA ALA 68 HA ALA 68 -12.614 -1.831 -0.711 503 HB1 ALA 68 HB1 ALA 68 -12.789 -0.750 2.122 504 HB2 ALA 68 HB2 ALA 68 -11.522 -1.807 1.506 505 HB3 ALA 68 HB3 ALA 68 -13.179 -2.397 1.606 506 HA PRO 69 HA PRO 69 -16.775 -0.611 -1.726 507 HB2 PRO 69 HB2 PRO 69 -17.705 -3.088 -0.262 508 HB3 PRO 69 HB3 PRO 69 -18.069 -2.552 -1.911 509 HG2 PRO 69 HG2 PRO 69 -16.316 -4.507 -1.529 510 HG3 PRO 69 HG3 PRO 69 -15.974 -3.245 -2.735 511 HD2 PRO 69 HD2 PRO 69 -14.863 -3.551 0.056 512 HD3 PRO 69 HD3 PRO 69 -14.027 -3.096 -1.445 513 H GLN 70 H GLN 70 -16.315 -1.586 1.657 514 HA GLN 70 HA GLN 70 -18.652 -0.118 2.603 515 HB2 GLN 70 HB2 GLN 70 -16.485 -1.569 4.172 516 HB3 GLN 70 HB3 GLN 70 -17.960 -0.897 4.856 517 HG2 GLN 70 HG2 GLN 70 -17.951 -3.079 2.752 518 HG3 GLN 70 HG3 GLN 70 -17.926 -3.405 4.480 519 HE21 GLN 70 HE21 GLN 70 -19.885 -4.510 4.363 520 HE22 GLN 70 HE22 GLN 70 -21.399 -3.712 4.140 521 H ASP 71 H ASP 71 -15.086 0.131 3.035 522 HA ASP 71 HA ASP 71 -15.261 3.013 3.453 523 HB2 ASP 71 HB2 ASP 71 -13.757 2.666 5.616 524 HB3 ASP 71 HB3 ASP 71 -15.512 2.571 5.723 525 H SER 72 H SER 72 -13.651 4.004 2.451 526 HA SER 72 HA SER 72 -11.319 2.568 1.409 527 HB2 SER 72 HB2 SER 72 -12.088 5.502 1.045 528 HB3 SER 72 HB3 SER 72 -10.891 4.596 0.112 529 HG SER 72 HG SER 72 -12.445 3.923 -1.104 530 H ARG 73 H ARG 73 -9.417 2.481 2.542 531 HA ARG 73 HA ARG 73 -8.921 4.417 4.732 532 HB2 ARG 73 HB2 ARG 73 -8.235 1.509 4.362 533 HB3 ARG 73 HB3 ARG 73 -7.133 2.479 5.321 534 HG2 ARG 73 HG2 ARG 73 -8.850 1.205 6.631 535 HG3 ARG 73 HG3 ARG 73 -8.792 2.933 6.973 536 HD2 ARG 73 HD2 ARG 73 -10.832 3.328 5.759 537 HD3 ARG 73 HD3 ARG 73 -10.796 1.707 5.058 538 HE ARG 73 HE ARG 73 -11.760 0.884 6.944 539 HH11 ARG 73 HH11 ARG 73 -10.730 4.094 7.691 540 HH12 ARG 73 HH12 ARG 73 -11.468 4.069 9.249 541 HH21 ARG 73 HH21 ARG 73 -12.709 0.888 8.901 542 HH22 ARG 73 HH22 ARG 73 -12.584 2.276 9.919 543 H ILE 74 H ILE 74 -7.252 5.756 4.661 544 HA ILE 74 HA ILE 74 -5.364 5.757 2.432 545 HB ILE 74 HB ILE 74 -5.786 7.715 4.727 546 HG12 ILE 74 HG12 ILE 74 -6.615 7.948 1.790 547 HG13 ILE 74 HG13 ILE 74 -7.708 7.587 3.123 548 HG21 ILE 74 HG21 ILE 74 -3.476 7.867 3.952 549 HG22 ILE 74 HG22 ILE 74 -4.368 9.299 3.441 550 HG23 ILE 74 HG23 ILE 74 -4.011 8.022 2.276 551 HD11 ILE 74 HD11 ILE 74 -7.886 9.900 2.440 552 HD12 ILE 74 HD12 ILE 74 -6.167 10.155 2.731 553 HD13 ILE 74 HD13 ILE 74 -7.250 9.800 4.081 554 H PHE 75 H PHE 75 -3.484 4.634 2.622 555 HA PHE 75 HA PHE 75 -2.257 4.131 5.263 556 HB2 PHE 75 HB2 PHE 75 -1.751 2.892 2.518 557 HB3 PHE 75 HB3 PHE 75 -0.698 2.596 3.894 558 HD1 PHE 75 HD2 PHE 75 -4.358 2.416 2.998 559 HD2 PHE 75 HD1 PHE 75 -1.105 0.676 5.173 560 HE1 PHE 75 HE2 PHE 75 -5.818 0.585 3.742 561 HE2 PHE 75 HE1 PHE 75 -2.583 -1.150 5.905 562 HZ PHE 75 HZ PHE 75 -4.937 -1.194 5.189 563 H LEU 76 H LEU 76 -1.117 5.925 5.820 564 HA LEU 76 HA LEU 76 0.459 7.482 3.966 565 HB2 LEU 76 HB2 LEU 76 0.586 7.467 7.009 566 HB3 LEU 76 HB3 LEU 76 1.232 8.709 5.945 567 HG LEU 76 HG LEU 76 -1.713 8.085 6.404 568 HD11 LEU 76 HD11 LEU 76 -0.705 9.223 8.306 569 HD12 LEU 76 HD12 LEU 76 -1.792 10.315 7.454 570 HD13 LEU 76 HD13 LEU 76 -0.045 10.475 7.252 571 HD21 LEU 76 HD21 LEU 76 -1.359 8.792 4.078 572 HD22 LEU 76 HD22 LEU 76 -0.493 10.228 4.624 573 HD23 LEU 76 HD23 LEU 76 -2.208 10.038 4.991 574 H VAL 77 H VAL 77 1.933 6.041 3.003 575 HA VAL 77 HA VAL 77 3.791 4.523 4.658 576 HB VAL 77 HB VAL 77 3.609 4.845 1.635 577 HG11 VAL 77 HG11 VAL 77 5.965 4.430 2.248 578 HG12 VAL 77 HG12 VAL 77 5.272 3.005 1.477 579 HG13 VAL 77 HG13 VAL 77 5.486 3.041 3.228 580 HG21 VAL 77 HG21 VAL 77 2.772 2.510 1.708 581 HG22 VAL 77 HG22 VAL 77 1.741 3.580 2.661 582 HG23 VAL 77 HG23 VAL 77 2.892 2.513 3.470 583 H SER 78 H SER 78 5.072 5.796 5.763 584 HA SER 78 HA SER 78 6.474 8.080 4.552 585 HB2 SER 78 HB2 SER 78 7.133 8.560 6.920 586 HB3 SER 78 HB3 SER 78 5.388 8.462 6.716 587 HG SER 78 HG SER 78 7.122 6.531 7.873 588 H VAL 79 H VAL 79 8.287 7.412 3.427 589 HA VAL 79 HA VAL 79 10.009 5.290 4.447 590 HB VAL 79 HB VAL 79 10.513 7.201 2.103 591 HG11 VAL 79 HG11 VAL 79 12.630 6.311 3.002 592 HG12 VAL 79 HG12 VAL 79 12.289 5.598 1.428 593 HG13 VAL 79 HG13 VAL 79 12.008 4.661 2.897 594 HG21 VAL 79 HG21 VAL 79 8.557 5.731 1.686 595 HG22 VAL 79 HG22 VAL 79 9.537 4.309 2.047 596 HG23 VAL 79 HG23 VAL 79 9.909 5.298 0.634 597 H GLU 80 H GLU 80 11.129 5.740 6.187 598 HA GLU 80 HA GLU 80 12.829 8.057 6.520 599 HB2 GLU 80 HB2 GLU 80 11.745 8.731 8.704 600 HB3 GLU 80 HB3 GLU 80 10.736 9.047 7.295 601 HG2 GLU 80 HG2 GLU 80 9.442 6.978 7.774 602 HG3 GLU 80 HG3 GLU 80 10.447 6.699 9.199 603 H GLU 81 H GLU 81 13.587 7.898 9.055 604 HA GLU 81 HA GLU 81 15.056 6.844 10.417 605 HB2 GLU 81 HB2 GLU 81 13.031 5.744 11.276 606 HB3 GLU 81 HB3 GLU 81 13.138 4.510 10.027 607 HG2 GLU 81 HG2 GLU 81 15.217 3.660 11.016 608 HG3 GLU 81 HG3 GLU 81 15.157 4.927 12.242 609 HA PRO 82 HA PRO 82 17.307 4.809 6.887 610 HB2 PRO 82 HB2 PRO 82 19.153 6.738 6.387 611 HB3 PRO 82 HB3 PRO 82 17.509 6.803 5.760 612 HG2 PRO 82 HG2 PRO 82 18.754 8.431 7.902 613 HG3 PRO 82 HG3 PRO 82 17.337 8.783 6.895 614 HD2 PRO 82 HD2 PRO 82 17.388 7.754 9.605 615 HD3 PRO 82 HD3 PRO 82 15.972 8.138 8.608 Start of MODEL 4 1 H MET 1 H1 MET 1 -6.203 8.061 9.970 2 HA MET 1 HA MET 1 -6.556 6.321 7.607 3 HB2 MET 1 HB2 MET 1 -4.731 8.706 8.100 4 HB3 MET 1 HB3 MET 1 -4.396 7.525 6.839 5 HG2 MET 1 HG2 MET 1 -5.490 9.483 5.912 6 HG3 MET 1 HG3 MET 1 -6.523 8.065 5.748 7 HE1 MET 1 HE1 MET 1 -9.275 10.739 6.247 8 HE2 MET 1 HE2 MET 1 -8.781 9.299 5.351 9 HE3 MET 1 HE3 MET 1 -7.845 10.791 5.227 10 H THR 2 H THR 2 -5.303 4.516 7.560 11 HA THR 2 HA THR 2 -3.595 3.605 9.626 12 HB THR 2 HB THR 2 -2.625 2.139 7.624 13 HG1 THR 2 HG1 THR 2 -3.661 3.720 6.108 14 HG21 THR 2 HG21 THR 2 -4.170 1.168 9.251 15 HG22 THR 2 HG22 THR 2 -4.570 0.640 7.614 16 HG23 THR 2 HG23 THR 2 -5.546 1.886 8.392 17 H ARG 3 H ARG 3 -1.415 3.948 10.011 18 HA ARG 3 HA ARG 3 0.169 5.557 8.085 19 HB2 ARG 3 HB2 ARG 3 0.045 5.906 11.113 20 HB3 ARG 3 HB3 ARG 3 1.228 6.693 10.069 21 HG2 ARG 3 HG2 ARG 3 -0.623 7.870 8.885 22 HG3 ARG 3 HG3 ARG 3 -1.788 7.112 9.976 23 HD2 ARG 3 HD2 ARG 3 -0.835 8.272 11.882 24 HD3 ARG 3 HD3 ARG 3 0.488 8.906 10.891 25 HE ARG 3 HE ARG 3 -2.356 9.658 10.506 26 HH11 ARG 3 HH11 ARG 3 0.985 10.550 10.560 27 HH12 ARG 3 HH12 ARG 3 0.644 12.209 10.227 28 HH21 ARG 3 HH21 ARG 3 -2.750 11.788 10.079 29 HH22 ARG 3 HH22 ARG 3 -1.429 12.894 9.946 30 H VAL 4 H VAL 4 1.767 4.294 7.371 31 HA VAL 4 HA VAL 4 3.028 2.309 9.186 32 HB VAL 4 HB VAL 4 2.551 2.170 6.173 33 HG11 VAL 4 HG11 VAL 4 3.655 -0.058 6.208 34 HG12 VAL 4 HG12 VAL 4 4.114 0.201 7.892 35 HG13 VAL 4 HG13 VAL 4 4.782 1.234 6.628 36 HG21 VAL 4 HG21 VAL 4 0.566 1.582 7.497 37 HG22 VAL 4 HG22 VAL 4 1.509 0.427 8.442 38 HG23 VAL 4 HG23 VAL 4 1.228 0.135 6.725 39 H ARG 5 H ARG 5 5.199 2.282 9.395 40 HA ARG 5 HA ARG 5 6.835 4.385 8.181 41 HB2 ARG 5 HB2 ARG 5 6.961 3.804 10.646 42 HB3 ARG 5 HB3 ARG 5 7.625 2.239 10.205 43 HG2 ARG 5 HG2 ARG 5 9.493 3.570 10.812 44 HG3 ARG 5 HG3 ARG 5 9.531 3.507 9.047 45 HD2 ARG 5 HD2 ARG 5 9.987 5.782 9.729 46 HD3 ARG 5 HD3 ARG 5 8.370 5.751 9.011 47 HE ARG 5 HE ARG 5 8.404 5.412 11.882 48 HH11 ARG 5 HH11 ARG 5 8.103 7.752 9.340 49 HH12 ARG 5 HH12 ARG 5 7.526 8.970 10.419 50 HH21 ARG 5 HH21 ARG 5 7.625 6.985 13.192 51 HH22 ARG 5 HH22 ARG 5 7.256 8.543 12.550 52 H SER 6 H SER 6 8.313 4.026 6.583 53 HA SER 6 HA SER 6 9.122 1.257 5.871 54 HB2 SER 6 HB2 SER 6 7.624 2.191 4.122 55 HB3 SER 6 HB3 SER 6 8.689 3.586 3.942 56 HG SER 6 HG SER 6 9.054 1.928 2.366 57 H THR 7 H THR 7 11.281 1.015 5.141 58 HA THR 7 HA THR 7 13.160 3.153 5.959 59 HB THR 7 HB THR 7 14.855 1.095 5.783 60 HG1 THR 7 HG1 THR 7 13.141 -0.317 4.947 61 HG21 THR 7 HG21 THR 7 14.477 0.558 8.150 62 HG22 THR 7 HG22 THR 7 12.910 1.370 8.092 63 HG23 THR 7 HG23 THR 7 14.399 2.297 7.856 64 HA PRO 8 HA PRO 8 14.607 3.580 1.701 65 HB2 PRO 8 HB2 PRO 8 16.929 4.882 2.087 66 HB3 PRO 8 HB3 PRO 8 15.396 5.613 2.575 67 HG2 PRO 8 HG2 PRO 8 17.390 4.133 4.281 68 HG3 PRO 8 HG3 PRO 8 16.638 5.719 4.572 69 HD2 PRO 8 HD2 PRO 8 15.695 3.398 5.682 70 HD3 PRO 8 HD3 PRO 8 14.640 4.777 5.298 71 H GLY 9 H GLY 9 14.966 0.899 2.587 72 HA2 GLY 9 HA2 GLY 9 17.157 -0.103 1.107 73 HA3 GLY 9 HA3 GLY 9 17.635 -0.018 2.801 74 H GLY 10 H GLY 10 14.895 -1.139 0.796 75 HA2 GLY 10 HA2 GLY 10 14.965 -3.828 1.315 76 HA3 GLY 10 HA3 GLY 10 14.074 -3.175 2.686 77 H ASP 11 H ASP 11 12.017 -3.862 2.286 78 HA ASP 11 HA ASP 11 10.651 -2.844 -0.131 79 HB2 ASP 11 HB2 ASP 11 9.406 -4.921 -0.414 80 HB3 ASP 11 HB3 ASP 11 11.124 -5.290 -0.438 81 H LEU 12 H LEU 12 8.438 -2.317 0.167 82 HA LEU 12 HA LEU 12 7.504 -1.888 2.912 83 HB2 LEU 12 HB2 LEU 12 7.259 -0.106 1.180 84 HB3 LEU 12 HB3 LEU 12 6.256 -1.184 0.224 85 HG LEU 12 HG LEU 12 4.573 -1.196 2.120 86 HD11 LEU 12 HD11 LEU 12 6.046 -0.577 3.969 87 HD12 LEU 12 HD12 LEU 12 4.695 0.546 3.841 88 HD13 LEU 12 HD13 LEU 12 6.294 1.025 3.266 89 HD21 LEU 12 HD21 LEU 12 4.233 0.219 0.148 90 HD22 LEU 12 HD22 LEU 12 5.157 1.523 0.901 91 HD23 LEU 12 HD23 LEU 12 3.621 1.005 1.603 92 H GLU 13 H GLU 13 5.639 -2.920 3.794 93 HA GLU 13 HA GLU 13 4.029 -4.688 2.096 94 HB2 GLU 13 HB2 GLU 13 5.837 -6.138 3.140 95 HB3 GLU 13 HB3 GLU 13 5.189 -5.720 4.726 96 HG2 GLU 13 HG2 GLU 13 3.007 -6.731 4.072 97 HG3 GLU 13 HG3 GLU 13 3.701 -7.194 2.521 98 H LEU 14 H LEU 14 2.011 -3.974 2.397 99 HA LEU 14 HA LEU 14 1.152 -2.824 4.986 100 HB2 LEU 14 HB2 LEU 14 -0.129 -2.517 2.232 101 HB3 LEU 14 HB3 LEU 14 -0.574 -1.645 3.695 102 HG LEU 14 HG LEU 14 2.039 -1.346 2.155 103 HD11 LEU 14 HD11 LEU 14 1.242 0.901 1.592 104 HD12 LEU 14 HD12 LEU 14 -0.287 0.582 2.417 105 HD13 LEU 14 HD13 LEU 14 0.149 -0.341 0.976 106 HD21 LEU 14 HD21 LEU 14 2.443 -1.016 4.537 107 HD22 LEU 14 HD22 LEU 14 1.111 0.136 4.636 108 HD23 LEU 14 HD23 LEU 14 2.545 0.520 3.682 109 H VAL 15 H VAL 15 0.376 -4.630 6.103 110 HA VAL 15 HA VAL 15 -1.678 -6.356 4.870 111 HB VAL 15 HB VAL 15 -0.443 -6.474 7.672 112 HG11 VAL 15 HG11 VAL 15 -2.305 -8.462 6.300 113 HG12 VAL 15 HG12 VAL 15 -2.704 -7.440 7.683 114 HG13 VAL 15 HG13 VAL 15 -1.504 -8.722 7.851 115 HG21 VAL 15 HG21 VAL 15 0.808 -8.455 6.833 116 HG22 VAL 15 HG22 VAL 15 1.224 -6.997 5.929 117 HG23 VAL 15 HG23 VAL 15 0.139 -8.197 5.221 118 H VAL 16 H VAL 16 -3.745 -5.663 4.962 119 HA VAL 16 HA VAL 16 -4.425 -3.393 6.731 120 HB VAL 16 HB VAL 16 -6.135 -4.304 4.388 121 HG11 VAL 16 HG11 VAL 16 -6.784 -1.920 4.289 122 HG12 VAL 16 HG12 VAL 16 -5.706 -1.563 5.641 123 HG13 VAL 16 HG13 VAL 16 -7.108 -2.609 5.882 124 HG21 VAL 16 HG21 VAL 16 -4.898 -2.765 2.897 125 HG22 VAL 16 HG22 VAL 16 -3.902 -4.113 3.446 126 HG23 VAL 16 HG23 VAL 16 -3.696 -2.520 4.164 127 H HIS 17 H HIS 17 -6.228 -3.404 8.069 128 HA HIS 17 HA HIS 17 -8.103 -5.695 7.970 129 HB2 HIS 17 HB2 HIS 17 -6.851 -4.465 10.468 130 HB3 HIS 17 HB3 HIS 17 -8.249 -5.536 10.509 131 HD1 HIS 17 HD1 HIS 17 -4.685 -5.696 10.842 132 HD2 HIS 17 HD2 HIS 17 -7.563 -8.111 9.063 133 HE1 HIS 17 HE1 HIS 17 -3.594 -7.942 10.532 134 HE2 HIS 17 HE2 HIS 17 -5.355 -9.380 9.473 135 H LEU 18 H LEU 18 -8.444 -3.252 6.626 136 HA LEU 18 HA LEU 18 -10.196 -1.461 7.877 137 HB2 LEU 18 HB2 LEU 18 -11.114 -1.025 5.521 138 HB3 LEU 18 HB3 LEU 18 -9.409 -0.756 5.792 139 HG LEU 18 HG LEU 18 -8.866 -2.870 4.595 140 HD11 LEU 18 HD11 LEU 18 -11.810 -3.113 3.960 141 HD12 LEU 18 HD12 LEU 18 -10.862 -4.208 4.968 142 HD13 LEU 18 HD13 LEU 18 -10.505 -4.070 3.248 143 HD21 LEU 18 HD21 LEU 18 -8.879 -0.761 3.374 144 HD22 LEU 18 HD22 LEU 18 -10.592 -0.958 2.995 145 HD23 LEU 18 HD23 LEU 18 -9.401 -2.079 2.329 146 H SER 19 H SER 19 -12.547 -1.162 7.369 147 HA SER 19 HA SER 19 -14.039 -3.510 8.242 148 HB2 SER 19 HB2 SER 19 -15.895 -1.811 8.518 149 HB3 SER 19 HB3 SER 19 -14.415 -1.379 9.378 150 HG SER 19 HG SER 19 -15.624 0.217 7.879 151 H GLY 20 H GLY 20 -13.102 -3.782 5.539 152 HA2 GLY 20 HA2 GLY 20 -15.633 -3.771 3.962 153 HA3 GLY 20 HA3 GLY 20 -14.091 -3.344 3.260 154 HA PRO 21 HA PRO 21 -14.005 -8.141 4.167 155 HB2 PRO 21 HB2 PRO 21 -16.870 -8.926 4.243 156 HB3 PRO 21 HB3 PRO 21 -15.579 -9.279 5.390 157 HG2 PRO 21 HG2 PRO 21 -17.578 -7.565 6.003 158 HG3 PRO 21 HG3 PRO 21 -15.920 -7.332 6.608 159 HD2 PRO 21 HD2 PRO 21 -17.281 -5.993 4.253 160 HD3 PRO 21 HD3 PRO 21 -16.304 -5.264 5.554 161 H GLY 22 H GLY 22 -14.156 -9.901 2.656 162 HA2 GLY 22 HA2 GLY 22 -14.267 -10.858 0.581 163 HA3 GLY 22 HA3 GLY 22 -15.734 -9.937 0.292 164 H GLY 23 H GLY 23 -15.598 -8.618 -1.432 165 HA2 GLY 23 HA2 GLY 23 -13.464 -6.797 -1.946 166 HA3 GLY 23 HA3 GLY 23 -13.340 -8.194 -3.010 167 HA PRO 24 HA PRO 24 -12.668 -7.210 -4.724 168 HB2 PRO 24 HB2 PRO 24 -12.516 -5.756 -6.992 169 HB3 PRO 24 HB3 PRO 24 -13.405 -7.285 -6.940 170 HG2 PRO 24 HG2 PRO 24 -14.466 -4.469 -6.859 171 HG3 PRO 24 HG3 PRO 24 -15.101 -5.884 -7.725 172 HD2 PRO 24 HD2 PRO 24 -16.047 -4.951 -5.255 173 HD3 PRO 24 HD3 PRO 24 -16.313 -6.587 -5.891 174 H VAL 25 H VAL 25 -11.562 -6.171 -3.025 175 HA VAL 25 HA VAL 25 -11.551 -3.285 -2.715 176 HB VAL 25 HB VAL 25 -9.771 -5.318 -1.295 177 HG11 VAL 25 HG11 VAL 25 -8.957 -3.013 -1.092 178 HG12 VAL 25 HG12 VAL 25 -9.575 -3.573 0.461 179 HG13 VAL 25 HG13 VAL 25 -10.539 -2.473 -0.525 180 HG21 VAL 25 HG21 VAL 25 -12.497 -4.287 -0.392 181 HG22 VAL 25 HG22 VAL 25 -11.421 -5.320 0.552 182 HG23 VAL 25 HG23 VAL 25 -12.138 -5.927 -0.940 183 H ARG 26 H ARG 26 -10.140 -1.911 -3.678 184 HA ARG 26 HA ARG 26 -8.078 -3.023 -5.481 185 HB2 ARG 26 HB2 ARG 26 -10.095 -1.561 -6.252 186 HB3 ARG 26 HB3 ARG 26 -9.212 -0.200 -5.573 187 HG2 ARG 26 HG2 ARG 26 -7.407 -0.497 -7.160 188 HG3 ARG 26 HG3 ARG 26 -8.085 -2.029 -7.725 189 HD2 ARG 26 HD2 ARG 26 -9.283 0.744 -8.093 190 HD3 ARG 26 HD3 ARG 26 -8.594 -0.285 -9.349 191 HE ARG 26 HE ARG 26 -10.457 -1.870 -8.848 192 HH11 ARG 26 HH11 ARG 26 -10.931 1.500 -8.208 193 HH12 ARG 26 HH12 ARG 26 -12.649 1.365 -8.300 194 HH21 ARG 26 HH21 ARG 26 -12.630 -2.000 -8.963 195 HH22 ARG 26 HH22 ARG 26 -13.592 -0.579 -8.745 196 H TRP 27 H TRP 27 -6.047 -1.875 -5.743 197 HA TRP 27 HA TRP 27 -5.128 -0.315 -3.394 198 HB2 TRP 27 HB2 TRP 27 -3.732 -2.398 -5.093 199 HB3 TRP 27 HB3 TRP 27 -2.770 -1.147 -4.309 200 HD1 TRP 27 HD1 TRP 27 -4.342 -4.462 -3.586 201 HE1 TRP 27 HE1 TRP 27 -4.037 -5.014 -1.095 202 HE3 TRP 27 HE3 TRP 27 -2.892 0.147 -1.907 203 HZ2 TRP 27 HZ2 TRP 27 -3.287 -3.670 1.265 204 HZ3 TRP 27 HZ3 TRP 27 -2.411 0.440 0.492 205 HH2 TRP 27 HH2 TRP 27 -2.610 -1.436 2.044 206 H TYR 28 H TYR 28 -4.037 1.567 -3.690 207 HA TYR 28 HA TYR 28 -3.420 2.556 -6.417 208 HB2 TYR 28 HB2 TYR 28 -4.810 4.203 -4.252 209 HB3 TYR 28 HB3 TYR 28 -4.303 4.801 -5.825 210 HD1 TYR 28 HD2 TYR 28 -6.683 2.475 -4.146 211 HD2 TYR 28 HD1 TYR 28 -5.816 4.616 -7.720 212 HE1 TYR 28 HE2 TYR 28 -8.913 1.956 -4.993 213 HE2 TYR 28 HE1 TYR 28 -8.076 4.110 -8.556 214 HH TYR 28 HH TYR 28 -10.512 2.816 -6.506 215 H LYS 29 H LYS 29 -1.744 4.173 -6.470 216 HA LYS 29 HA LYS 29 -0.568 5.116 -3.936 217 HB2 LYS 29 HB2 LYS 29 0.997 3.418 -4.604 218 HB3 LYS 29 HB3 LYS 29 1.004 3.965 -6.264 219 HG2 LYS 29 HG2 LYS 29 3.091 4.583 -5.158 220 HG3 LYS 29 HG3 LYS 29 2.197 6.024 -5.613 221 HD2 LYS 29 HD2 LYS 29 1.630 6.545 -3.383 222 HD3 LYS 29 HD3 LYS 29 1.925 4.902 -2.816 223 HE2 LYS 29 HE2 LYS 29 3.673 6.365 -2.001 224 HE3 LYS 29 HE3 LYS 29 4.360 5.239 -3.152 225 HZ1 LYS 29 HZ1 LYS 29 3.724 8.088 -3.609 226 HZ2 LYS 29 HZ2 LYS 29 4.218 7.028 -4.825 227 HZ3 LYS 29 HZ3 LYS 29 5.255 7.374 -3.535 228 H ASP 30 H ASP 30 -0.281 7.264 -3.908 229 HA ASP 30 HA ASP 30 -0.401 9.456 -4.441 230 HB2 ASP 30 HB2 ASP 30 0.965 8.506 -6.982 231 HB3 ASP 30 HB3 ASP 30 0.839 10.188 -6.500 232 H GLY 31 H GLY 31 -2.692 7.778 -5.143 233 HA2 GLY 31 HA2 GLY 31 -4.835 8.442 -5.770 234 HA3 GLY 31 HA3 GLY 31 -4.161 9.713 -6.772 235 H GLU 32 H GLU 32 -2.468 6.933 -7.603 236 HA GLU 32 HA GLU 32 -4.453 6.150 -9.677 237 HB2 GLU 32 HB2 GLU 32 -2.698 7.540 -10.712 238 HB3 GLU 32 HB3 GLU 32 -1.449 6.454 -10.103 239 HG2 GLU 32 HG2 GLU 32 -2.262 4.638 -11.507 240 HG3 GLU 32 HG3 GLU 32 -3.658 5.588 -12.005 241 H ARG 33 H ARG 33 -4.792 4.051 -9.965 242 HA ARG 33 HA ARG 33 -4.252 2.244 -7.932 243 HB2 ARG 33 HB2 ARG 33 -5.517 0.633 -9.160 244 HB3 ARG 33 HB3 ARG 33 -6.228 2.194 -9.508 245 HG2 ARG 33 HG2 ARG 33 -4.313 0.745 -11.363 246 HG3 ARG 33 HG3 ARG 33 -6.075 0.659 -11.495 247 HD2 ARG 33 HD2 ARG 33 -6.137 3.111 -11.899 248 HD3 ARG 33 HD3 ARG 33 -4.373 3.166 -11.776 249 HE ARG 33 HE ARG 33 -5.314 1.320 -13.778 250 HH11 ARG 33 HH11 ARG 33 -4.531 4.655 -13.246 251 HH12 ARG 33 HH12 ARG 33 -4.293 4.959 -14.926 252 HH21 ARG 33 HH21 ARG 33 -5.026 1.768 -15.915 253 HH22 ARG 33 HH22 ARG 33 -4.562 3.362 -16.410 254 H LEU 34 H LEU 34 -2.933 0.462 -7.648 255 HA LEU 34 HA LEU 34 -0.606 0.158 -9.427 256 HB2 LEU 34 HB2 LEU 34 -1.100 -1.133 -6.708 257 HB3 LEU 34 HB3 LEU 34 0.377 -1.245 -7.653 258 HG LEU 34 HG LEU 34 -0.713 1.174 -6.178 259 HD11 LEU 34 HD11 LEU 34 1.463 1.161 -5.059 260 HD12 LEU 34 HD12 LEU 34 1.936 -0.274 -5.978 261 HD13 LEU 34 HD13 LEU 34 0.594 -0.357 -4.834 262 HD21 LEU 34 HD21 LEU 34 1.158 2.503 -7.147 263 HD22 LEU 34 HD22 LEU 34 -0.014 2.015 -8.363 264 HD23 LEU 34 HD23 LEU 34 1.529 1.166 -8.238 265 H ALA 35 H ALA 35 -0.057 -1.758 -10.416 266 HA ALA 35 HA ALA 35 -2.107 -3.881 -10.632 267 HB1 ALA 35 HB1 ALA 35 -1.366 -2.840 -12.744 268 HB2 ALA 35 HB2 ALA 35 -0.909 -4.542 -12.688 269 HB3 ALA 35 HB3 ALA 35 0.305 -3.291 -12.398 270 H SER 36 H SER 36 -1.526 -6.087 -10.347 271 HA SER 36 HA SER 36 0.609 -6.663 -8.478 272 HB2 SER 36 HB2 SER 36 -0.234 -9.045 -8.687 273 HB3 SER 36 HB3 SER 36 -1.476 -7.885 -8.220 274 HG SER 36 HG SER 36 -1.062 -8.688 -10.917 275 H GLN 37 H GLN 37 2.398 -5.944 -9.761 276 HA GLN 37 HA GLN 37 2.967 -7.023 -12.372 277 HB2 GLN 37 HB2 GLN 37 4.670 -5.325 -10.509 278 HB3 GLN 37 HB3 GLN 37 5.048 -5.666 -12.195 279 HG2 GLN 37 HG2 GLN 37 3.005 -4.463 -12.894 280 HG3 GLN 37 HG3 GLN 37 2.638 -4.119 -11.200 281 HE21 GLN 37 HE21 GLN 37 4.775 -3.393 -13.873 282 HE22 GLN 37 HE22 GLN 37 5.463 -1.964 -13.196 283 H GLY 38 H GLY 38 4.898 -7.184 -9.327 284 HA2 GLY 38 HA2 GLY 38 5.558 -9.861 -9.251 285 HA3 GLY 38 HA3 GLY 38 6.705 -9.170 -10.395 286 H ARG 39 H ARG 39 7.524 -6.834 -9.400 287 HA ARG 39 HA ARG 39 8.592 -7.252 -6.718 288 HB2 ARG 39 HB2 ARG 39 8.691 -4.789 -8.525 289 HB3 ARG 39 HB3 ARG 39 9.476 -4.899 -6.950 290 HG2 ARG 39 HG2 ARG 39 10.841 -6.815 -7.827 291 HG3 ARG 39 HG3 ARG 39 10.123 -6.549 -9.418 292 HD2 ARG 39 HD2 ARG 39 11.084 -4.274 -9.477 293 HD3 ARG 39 HD3 ARG 39 11.774 -4.514 -7.866 294 HE ARG 39 HE ARG 39 12.718 -6.575 -9.490 295 HH11 ARG 39 HH11 ARG 39 13.119 -3.132 -9.280 296 HH12 ARG 39 HH12 ARG 39 14.658 -3.179 -10.065 297 HH21 ARG 39 HH21 ARG 39 14.677 -6.588 -10.456 298 HH22 ARG 39 HH22 ARG 39 15.528 -5.103 -10.708 299 H VAL 40 H VAL 40 6.232 -5.019 -8.244 300 HA VAL 40 HA VAL 40 4.969 -4.364 -5.707 301 HB VAL 40 HB VAL 40 4.004 -3.769 -8.547 302 HG11 VAL 40 HG11 VAL 40 3.047 -2.619 -5.893 303 HG12 VAL 40 HG12 VAL 40 2.143 -3.724 -6.930 304 HG13 VAL 40 HG13 VAL 40 2.510 -2.092 -7.491 305 HG21 VAL 40 HG21 VAL 40 5.509 -1.970 -6.595 306 HG22 VAL 40 HG22 VAL 40 4.904 -1.492 -8.184 307 HG23 VAL 40 HG23 VAL 40 6.184 -2.698 -8.058 308 H GLN 41 H GLN 41 4.273 -6.249 -4.821 309 HA GLN 41 HA GLN 41 2.600 -8.165 -6.307 310 HB2 GLN 41 HB2 GLN 41 3.813 -8.334 -3.515 311 HB3 GLN 41 HB3 GLN 41 2.996 -9.647 -4.363 312 HG2 GLN 41 HG2 GLN 41 4.758 -9.777 -6.004 313 HG3 GLN 41 HG3 GLN 41 5.519 -8.312 -5.391 314 HE21 GLN 41 HE21 GLN 41 7.479 -9.382 -5.067 315 HE22 GLN 41 HE22 GLN 41 7.718 -10.509 -3.782 316 H LEU 42 H LEU 42 0.421 -8.329 -5.954 317 HA LEU 42 HA LEU 42 -0.805 -6.920 -3.643 318 HB2 LEU 42 HB2 LEU 42 -2.046 -7.499 -6.366 319 HB3 LEU 42 HB3 LEU 42 -2.854 -6.698 -5.024 320 HG LEU 42 HG LEU 42 -0.511 -5.600 -6.640 321 HD11 LEU 42 HD11 LEU 42 -2.103 -3.875 -7.366 322 HD12 LEU 42 HD12 LEU 42 -3.395 -4.672 -6.462 323 HD13 LEU 42 HD13 LEU 42 -2.640 -5.490 -7.835 324 HD21 LEU 42 HD21 LEU 42 -1.932 -4.341 -4.270 325 HD22 LEU 42 HD22 LEU 42 -0.746 -3.540 -5.304 326 HD23 LEU 42 HD23 LEU 42 -0.263 -4.911 -4.310 327 H GLU 43 H GLU 43 -2.057 -8.098 -2.288 328 HA GLU 43 HA GLU 43 -3.132 -10.730 -3.147 329 HB2 GLU 43 HB2 GLU 43 -1.418 -11.029 -1.369 330 HB3 GLU 43 HB3 GLU 43 -2.284 -9.900 -0.327 331 HG2 GLU 43 HG2 GLU 43 -4.161 -11.427 -0.132 332 HG3 GLU 43 HG3 GLU 43 -3.450 -12.515 -1.323 333 H GLN 44 H GLN 44 -5.262 -10.482 -3.504 334 HA GLN 44 HA GLN 44 -6.824 -8.596 -1.849 335 HB2 GLN 44 HB2 GLN 44 -8.561 -8.745 -3.659 336 HB3 GLN 44 HB3 GLN 44 -7.031 -8.042 -4.165 337 HG2 GLN 44 HG2 GLN 44 -6.420 -10.227 -5.209 338 HG3 GLN 44 HG3 GLN 44 -8.023 -10.838 -4.789 339 HE21 GLN 44 HE21 GLN 44 -8.614 -11.142 -6.959 340 HE22 GLN 44 HE22 GLN 44 -8.925 -9.827 -8.028 341 H ALA 45 H ALA 45 -7.497 -9.581 -0.111 342 HA ALA 45 HA ALA 45 -9.043 -12.112 -0.280 343 HB1 ALA 45 HB1 ALA 45 -8.144 -12.746 1.936 344 HB2 ALA 45 HB2 ALA 45 -7.166 -11.274 1.972 345 HB3 ALA 45 HB3 ALA 45 -6.839 -12.521 0.771 346 H GLY 46 H GLY 46 -10.311 -12.320 1.949 347 HA2 GLY 46 HA2 GLY 46 -12.293 -10.286 2.034 348 HA3 GLY 46 HA3 GLY 46 -12.134 -11.628 3.150 349 H ALA 47 H ALA 47 -11.444 -8.283 2.580 350 HA ALA 47 HA ALA 47 -11.036 -6.503 3.908 351 HB1 ALA 47 HB1 ALA 47 -12.439 -7.521 5.660 352 HB2 ALA 47 HB2 ALA 47 -11.104 -6.596 6.355 353 HB3 ALA 47 HB3 ALA 47 -11.030 -8.361 6.306 354 H ARG 48 H ARG 48 -8.904 -9.300 4.419 355 HA ARG 48 HA ARG 48 -6.628 -7.646 5.169 356 HB2 ARG 48 HB2 ARG 48 -6.921 -9.904 6.176 357 HB3 ARG 48 HB3 ARG 48 -6.722 -10.634 4.586 358 HG2 ARG 48 HG2 ARG 48 -4.413 -9.689 4.464 359 HG3 ARG 48 HG3 ARG 48 -4.623 -9.017 6.087 360 HD2 ARG 48 HD2 ARG 48 -3.338 -11.092 6.192 361 HD3 ARG 48 HD3 ARG 48 -4.901 -11.314 6.983 362 HE ARG 48 HE ARG 48 -5.568 -12.746 5.279 363 HH11 ARG 48 HH11 ARG 48 -2.418 -11.505 4.518 364 HH12 ARG 48 HH12 ARG 48 -2.196 -12.602 3.203 365 HH21 ARG 48 HH21 ARG 48 -5.239 -14.134 3.606 366 HH22 ARG 48 HH22 ARG 48 -3.765 -14.073 2.698 367 H GLN 49 H GLN 49 -6.295 -6.342 3.401 368 HA GLN 49 HA GLN 49 -5.418 -7.513 0.852 369 HB2 GLN 49 HB2 GLN 49 -5.639 -4.618 1.769 370 HB3 GLN 49 HB3 GLN 49 -5.197 -5.131 0.142 371 HG2 GLN 49 HG2 GLN 49 -7.863 -5.638 1.498 372 HG3 GLN 49 HG3 GLN 49 -7.534 -4.405 0.286 373 HE21 GLN 49 HE21 GLN 49 -7.101 -5.069 -1.866 374 HE22 GLN 49 HE22 GLN 49 -7.642 -6.600 -2.437 375 H VAL 50 H VAL 50 -3.248 -7.523 0.174 376 HA VAL 50 HA VAL 50 -1.243 -6.243 1.950 377 HB VAL 50 HB VAL 50 -0.866 -8.994 0.680 378 HG11 VAL 50 HG11 VAL 50 1.245 -7.750 0.852 379 HG12 VAL 50 HG12 VAL 50 1.230 -9.076 2.014 380 HG13 VAL 50 HG13 VAL 50 0.945 -7.421 2.560 381 HG21 VAL 50 HG21 VAL 50 -1.311 -8.309 3.620 382 HG22 VAL 50 HG22 VAL 50 -0.946 -9.913 2.975 383 HG23 VAL 50 HG23 VAL 50 -2.469 -9.124 2.561 384 H LEU 51 H LEU 51 -0.552 -4.578 0.745 385 HA LEU 51 HA LEU 51 0.403 -4.978 -2.017 386 HB2 LEU 51 HB2 LEU 51 -0.874 -2.976 -1.778 387 HB3 LEU 51 HB3 LEU 51 -0.069 -2.518 -0.305 388 HG LEU 51 HG LEU 51 0.383 -1.101 -2.429 389 HD11 LEU 51 HD11 LEU 51 1.721 -0.859 -0.390 390 HD12 LEU 51 HD12 LEU 51 2.700 -0.634 -1.835 391 HD13 LEU 51 HD13 LEU 51 2.807 -2.143 -0.924 392 HD21 LEU 51 HD21 LEU 51 2.162 -3.450 -3.166 393 HD22 LEU 51 HD22 LEU 51 2.156 -1.863 -3.942 394 HD23 LEU 51 HD23 LEU 51 0.734 -2.891 -4.037 395 H ARG 52 H ARG 52 2.522 -5.236 -2.456 396 HA ARG 52 HA ARG 52 4.548 -4.786 -0.336 397 HB2 ARG 52 HB2 ARG 52 4.756 -7.109 -2.296 398 HB3 ARG 52 HB3 ARG 52 5.606 -6.872 -0.768 399 HG2 ARG 52 HG2 ARG 52 3.414 -7.238 0.421 400 HG3 ARG 52 HG3 ARG 52 2.685 -7.616 -1.141 401 HD2 ARG 52 HD2 ARG 52 3.231 -9.693 -0.047 402 HD3 ARG 52 HD3 ARG 52 4.363 -9.484 -1.392 403 HE ARG 52 HE ARG 52 5.096 -8.722 1.370 404 HH11 ARG 52 HH11 ARG 52 5.809 -10.630 -1.437 405 HH12 ARG 52 HH12 ARG 52 7.324 -11.154 -0.797 406 HH21 ARG 52 HH21 ARG 52 7.015 -9.405 2.142 407 HH22 ARG 52 HH22 ARG 52 8.001 -10.469 1.195 408 H VAL 53 H VAL 53 5.710 -3.026 -1.167 409 HA VAL 53 HA VAL 53 6.429 -3.023 -4.043 410 HB VAL 53 HB VAL 53 6.823 -0.817 -1.969 411 HG11 VAL 53 HG11 VAL 53 7.298 -0.726 -4.979 412 HG12 VAL 53 HG12 VAL 53 8.544 -0.684 -3.730 413 HG13 VAL 53 HG13 VAL 53 7.405 0.655 -3.882 414 HG21 VAL 53 HG21 VAL 53 4.443 -1.168 -2.498 415 HG22 VAL 53 HG22 VAL 53 4.781 -1.010 -4.221 416 HG23 VAL 53 HG23 VAL 53 5.003 0.374 -3.147 417 H GLN 54 H GLN 54 8.042 -4.548 -4.186 418 HA GLN 54 HA GLN 54 10.294 -4.731 -2.425 419 HB2 GLN 54 HB2 GLN 54 9.479 -6.661 -3.735 420 HB3 GLN 54 HB3 GLN 54 9.904 -5.841 -5.230 421 HG2 GLN 54 HG2 GLN 54 12.290 -5.906 -4.568 422 HG3 GLN 54 HG3 GLN 54 11.849 -6.779 -3.102 423 HE21 GLN 54 HE21 GLN 54 11.096 -8.950 -3.307 424 HE22 GLN 54 HE22 GLN 54 11.425 -9.877 -4.726 425 H GLY 55 H GLY 55 11.436 -2.857 -2.256 426 HA2 GLY 55 HA2 GLY 55 13.492 -1.830 -3.294 427 HA3 GLY 55 HA3 GLY 55 12.486 -1.510 -4.701 428 H ALA 56 H ALA 56 11.869 -1.156 -1.210 429 HA ALA 56 HA ALA 56 10.680 1.468 -1.511 430 HB1 ALA 56 HB1 ALA 56 9.761 -0.165 0.091 431 HB2 ALA 56 HB2 ALA 56 10.282 1.304 0.918 432 HB3 ALA 56 HB3 ALA 56 11.280 -0.153 0.993 433 H ARG 57 H ARG 57 11.927 3.283 -1.656 434 HA ARG 57 HA ARG 57 14.122 3.805 0.126 435 HB2 ARG 57 HB2 ARG 57 15.215 2.304 -1.526 436 HB3 ARG 57 HB3 ARG 57 14.801 3.422 -2.821 437 HG2 ARG 57 HG2 ARG 57 16.307 5.102 -1.961 438 HG3 ARG 57 HG3 ARG 57 16.547 4.207 -0.458 439 HD2 ARG 57 HD2 ARG 57 17.665 2.391 -1.738 440 HD3 ARG 57 HD3 ARG 57 17.455 3.329 -3.220 441 HE ARG 57 HE ARG 57 19.068 4.866 -2.470 442 HH11 ARG 57 HH11 ARG 57 18.691 2.328 -0.150 443 HH12 ARG 57 HH12 ARG 57 20.221 2.639 0.582 444 HH21 ARG 57 HH21 ARG 57 21.024 5.225 -1.509 445 HH22 ARG 57 HH22 ARG 57 21.516 4.249 -0.171 446 H SER 58 H SER 58 12.441 4.861 -2.849 447 HA SER 58 HA SER 58 12.805 7.693 -2.007 448 HB2 SER 58 HB2 SER 58 13.013 6.673 -4.879 449 HB3 SER 58 HB3 SER 58 13.113 8.361 -4.378 450 HG SER 58 HG SER 58 15.174 7.295 -4.710 451 H GLY 59 H GLY 59 11.038 6.150 -4.754 452 HA2 GLY 59 HA2 GLY 59 8.831 7.992 -4.489 453 HA3 GLY 59 HA3 GLY 59 8.985 6.693 -5.656 454 H ASP 60 H ASP 60 9.454 5.136 -2.842 455 HA ASP 60 HA ASP 60 6.911 3.887 -2.700 456 HB2 ASP 60 HB2 ASP 60 9.027 2.758 -2.097 457 HB3 ASP 60 HB3 ASP 60 9.247 3.857 -0.739 458 H ALA 61 H ALA 61 8.210 6.691 -1.053 459 HA ALA 61 HA ALA 61 6.352 6.719 1.153 460 HB1 ALA 61 HB1 ALA 61 7.243 8.980 1.587 461 HB2 ALA 61 HB2 ALA 61 8.105 8.950 0.044 462 HB3 ALA 61 HB3 ALA 61 8.545 7.822 1.329 463 H GLY 62 H GLY 62 4.249 7.177 0.949 464 HA2 GLY 62 HA2 GLY 62 3.094 9.419 -0.128 465 HA3 GLY 62 HA3 GLY 62 3.143 8.286 -1.459 466 H GLU 63 H GLU 63 0.762 8.812 -1.228 467 HA GLU 63 HA GLU 63 -0.675 7.469 0.927 468 HB2 GLU 63 HB2 GLU 63 -1.705 8.999 -1.497 469 HB3 GLU 63 HB3 GLU 63 -2.722 8.294 -0.247 470 HG2 GLU 63 HG2 GLU 63 -2.524 10.662 0.148 471 HG3 GLU 63 HG3 GLU 63 -1.689 9.789 1.432 472 H TYR 64 H TYR 64 -1.029 5.344 0.805 473 HA TYR 64 HA TYR 64 -1.632 4.047 -1.781 474 HB2 TYR 64 HB2 TYR 64 -0.808 2.878 0.904 475 HB3 TYR 64 HB3 TYR 64 -1.307 1.901 -0.472 476 HD1 TYR 64 HD2 TYR 64 1.314 4.327 0.687 477 HD2 TYR 64 HD1 TYR 64 0.223 1.385 -2.225 478 HE1 TYR 64 HE2 TYR 64 3.623 4.280 -0.148 479 HE2 TYR 64 HE1 TYR 64 2.525 1.356 -3.064 480 HH TYR 64 HH TYR 64 5.119 2.644 -1.407 481 H LEU 65 H LEU 65 -3.779 4.076 -2.204 482 HA LEU 65 HA LEU 65 -5.727 4.102 -0.005 483 HB2 LEU 65 HB2 LEU 65 -6.009 5.810 -1.721 484 HB3 LEU 65 HB3 LEU 65 -6.019 4.596 -2.987 485 HG LEU 65 HG LEU 65 -8.198 3.727 -2.167 486 HD11 LEU 65 HD11 LEU 65 -8.009 4.244 0.208 487 HD12 LEU 65 HD12 LEU 65 -9.486 4.932 -0.460 488 HD13 LEU 65 HD13 LEU 65 -8.100 5.976 -0.132 489 HD21 LEU 65 HD21 LEU 65 -9.607 5.613 -2.881 490 HD22 LEU 65 HD22 LEU 65 -8.193 5.457 -3.921 491 HD23 LEU 65 HD23 LEU 65 -8.246 6.724 -2.691 492 H CYS 66 H CYS 66 -6.175 2.121 0.714 493 HA CYS 66 HA CYS 66 -6.688 -0.159 -1.032 494 HB2 CYS 66 HB2 CYS 66 -5.511 -0.402 1.175 495 HB3 CYS 66 HB3 CYS 66 -6.995 0.088 1.987 496 HG CYS 66 HG CYS 66 -6.158 -2.831 1.658 497 H ASP 67 H ASP 67 -8.470 0.526 -2.214 498 HA ASP 67 HA ASP 67 -10.793 1.774 -1.042 499 HB2 ASP 67 HB2 ASP 67 -10.015 2.554 -3.177 500 HB3 ASP 67 HB3 ASP 67 -10.046 0.932 -3.854 501 H ALA 68 H ALA 68 -11.808 0.280 0.300 502 HA ALA 68 HA ALA 68 -12.815 -2.245 -0.765 503 HB1 ALA 68 HB1 ALA 68 -13.290 -0.959 1.940 504 HB2 ALA 68 HB2 ALA 68 -12.032 -2.135 1.570 505 HB3 ALA 68 HB3 ALA 68 -13.726 -2.611 1.472 506 HA PRO 69 HA PRO 69 -16.758 -0.572 -2.299 507 HB2 PRO 69 HB2 PRO 69 -17.805 -3.285 -1.484 508 HB3 PRO 69 HB3 PRO 69 -17.970 -2.434 -3.029 509 HG2 PRO 69 HG2 PRO 69 -16.247 -4.445 -2.806 510 HG3 PRO 69 HG3 PRO 69 -15.788 -2.986 -3.712 511 HD2 PRO 69 HD2 PRO 69 -14.995 -3.815 -0.919 512 HD3 PRO 69 HD3 PRO 69 -14.003 -3.085 -2.203 513 H GLN 70 H GLN 70 -16.473 -2.066 0.874 514 HA GLN 70 HA GLN 70 -18.900 -0.859 1.937 515 HB2 GLN 70 HB2 GLN 70 -16.670 -2.461 3.237 516 HB3 GLN 70 HB3 GLN 70 -17.987 -1.757 4.160 517 HG2 GLN 70 HG2 GLN 70 -18.482 -4.076 3.798 518 HG3 GLN 70 HG3 GLN 70 -19.605 -3.114 2.838 519 HE21 GLN 70 HE21 GLN 70 -20.061 -4.805 1.444 520 HE22 GLN 70 HE22 GLN 70 -18.927 -5.412 0.294 521 H ASP 71 H ASP 71 -15.359 -0.477 2.632 522 HA ASP 71 HA ASP 71 -15.649 2.375 3.038 523 HB2 ASP 71 HB2 ASP 71 -16.448 1.425 5.214 524 HB3 ASP 71 HB3 ASP 71 -14.882 0.640 5.429 525 H SER 72 H SER 72 -13.912 3.240 2.107 526 HA SER 72 HA SER 72 -11.532 1.763 1.431 527 HB2 SER 72 HB2 SER 72 -12.031 4.752 1.095 528 HB3 SER 72 HB3 SER 72 -10.887 3.750 0.191 529 HG SER 72 HG SER 72 -12.582 2.787 -0.859 530 H ARG 73 H ARG 73 -9.442 1.973 2.255 531 HA ARG 73 HA ARG 73 -9.025 3.639 4.671 532 HB2 ARG 73 HB2 ARG 73 -9.003 1.030 4.849 533 HB3 ARG 73 HB3 ARG 73 -7.462 1.113 4.017 534 HG2 ARG 73 HG2 ARG 73 -6.776 1.040 6.235 535 HG3 ARG 73 HG3 ARG 73 -6.798 2.779 5.944 536 HD2 ARG 73 HD2 ARG 73 -8.951 1.154 7.367 537 HD3 ARG 73 HD3 ARG 73 -7.807 2.265 8.118 538 HE ARG 73 HE ARG 73 -8.959 4.101 7.040 539 HH11 ARG 73 HH11 ARG 73 -10.693 1.113 6.985 540 HH12 ARG 73 HH12 ARG 73 -12.218 1.881 6.732 541 HH21 ARG 73 HH21 ARG 73 -10.943 5.056 6.693 542 HH22 ARG 73 HH22 ARG 73 -12.356 4.064 6.570 543 H ILE 74 H ILE 74 -7.452 5.193 4.504 544 HA ILE 74 HA ILE 74 -5.638 5.181 2.170 545 HB ILE 74 HB ILE 74 -6.284 7.480 4.085 546 HG12 ILE 74 HG12 ILE 74 -7.293 8.548 1.945 547 HG13 ILE 74 HG13 ILE 74 -7.215 6.948 1.219 548 HG21 ILE 74 HG21 ILE 74 -4.508 7.516 1.608 549 HG22 ILE 74 HG22 ILE 74 -3.979 7.693 3.281 550 HG23 ILE 74 HG23 ILE 74 -4.983 8.939 2.544 551 HD11 ILE 74 HD11 ILE 74 -8.817 7.705 3.667 552 HD12 ILE 74 HD12 ILE 74 -8.780 6.112 2.905 553 HD13 ILE 74 HD13 ILE 74 -9.444 7.493 2.034 554 H PHE 75 H PHE 75 -3.531 4.728 2.430 555 HA PHE 75 HA PHE 75 -2.334 4.447 5.109 556 HB2 PHE 75 HB2 PHE 75 -1.676 3.247 2.411 557 HB3 PHE 75 HB3 PHE 75 -0.449 3.284 3.667 558 HD1 PHE 75 HD2 PHE 75 -3.875 2.021 2.854 559 HD2 PHE 75 HD1 PHE 75 -0.443 1.671 5.381 560 HE1 PHE 75 HE2 PHE 75 -4.790 -0.041 3.830 561 HE2 PHE 75 HE1 PHE 75 -1.364 -0.385 6.349 562 HZ PHE 75 HZ PHE 75 -3.534 -1.244 5.580 563 H LEU 76 H LEU 76 -0.956 5.957 5.786 564 HA LEU 76 HA LEU 76 0.392 7.774 3.902 565 HB2 LEU 76 HB2 LEU 76 0.102 7.992 6.928 566 HB3 LEU 76 HB3 LEU 76 0.741 9.226 5.846 567 HG LEU 76 HG LEU 76 -2.147 8.251 5.949 568 HD11 LEU 76 HD11 LEU 76 -0.963 10.911 6.794 569 HD12 LEU 76 HD12 LEU 76 -1.560 9.642 7.867 570 HD13 LEU 76 HD13 LEU 76 -2.678 10.488 6.800 571 HD21 LEU 76 HD21 LEU 76 -0.923 10.388 4.160 572 HD22 LEU 76 HD22 LEU 76 -2.647 10.033 4.307 573 HD23 LEU 76 HD23 LEU 76 -1.557 8.822 3.644 574 H VAL 77 H VAL 77 2.076 6.509 3.218 575 HA VAL 77 HA VAL 77 3.837 5.143 5.148 576 HB VAL 77 HB VAL 77 3.694 5.020 2.099 577 HG11 VAL 77 HG11 VAL 77 5.561 3.474 3.946 578 HG12 VAL 77 HG12 VAL 77 6.038 4.699 2.768 579 HG13 VAL 77 HG13 VAL 77 5.352 3.168 2.220 580 HG21 VAL 77 HG21 VAL 77 2.867 2.714 2.459 581 HG22 VAL 77 HG22 VAL 77 1.816 3.891 3.251 582 HG23 VAL 77 HG23 VAL 77 2.959 2.941 4.207 583 H SER 78 H SER 78 5.734 5.979 5.749 584 HA SER 78 HA SER 78 6.939 8.239 4.233 585 HB2 SER 78 HB2 SER 78 7.776 9.092 6.419 586 HB3 SER 78 HB3 SER 78 6.016 9.002 6.386 587 HG SER 78 HG SER 78 6.065 7.568 7.931 588 H VAL 79 H VAL 79 8.801 7.613 3.270 589 HA VAL 79 HA VAL 79 10.404 5.407 4.308 590 HB VAL 79 HB VAL 79 10.885 7.206 1.888 591 HG11 VAL 79 HG11 VAL 79 13.015 6.291 2.692 592 HG12 VAL 79 HG12 VAL 79 12.554 5.505 1.185 593 HG13 VAL 79 HG13 VAL 79 12.336 4.661 2.718 594 HG21 VAL 79 HG21 VAL 79 8.866 5.805 1.641 595 HG22 VAL 79 HG22 VAL 79 9.803 4.359 2.024 596 HG23 VAL 79 HG23 VAL 79 10.139 5.264 0.545 597 H GLU 80 H GLU 80 11.619 5.831 6.010 598 HA GLU 80 HA GLU 80 13.754 7.739 6.038 599 HB2 GLU 80 HB2 GLU 80 13.023 8.984 8.082 600 HB3 GLU 80 HB3 GLU 80 11.963 9.288 6.706 601 HG2 GLU 80 HG2 GLU 80 10.338 7.630 7.640 602 HG3 GLU 80 HG3 GLU 80 11.392 7.430 9.041 603 H GLU 81 H GLU 81 14.389 7.742 8.744 604 HA GLU 81 HA GLU 81 15.540 6.545 10.284 605 HB2 GLU 81 HB2 GLU 81 13.234 5.806 10.924 606 HB3 GLU 81 HB3 GLU 81 13.379 4.433 9.834 607 HG2 GLU 81 HG2 GLU 81 15.317 3.628 11.232 608 HG3 GLU 81 HG3 GLU 81 14.973 4.933 12.369 609 HA PRO 82 HA PRO 82 17.546 4.226 6.721 610 HB2 PRO 82 HB2 PRO 82 19.999 5.411 6.795 611 HB3 PRO 82 HB3 PRO 82 18.607 6.141 5.992 612 HG2 PRO 82 HG2 PRO 82 19.782 6.757 8.696 613 HG3 PRO 82 HG3 PRO 82 19.144 7.875 7.473 614 HD2 PRO 82 HD2 PRO 82 17.726 7.066 9.696 615 HD3 PRO 82 HD3 PRO 82 16.956 7.594 8.186 Start of MODEL 5 1 H MET 1 H1 MET 1 -6.366 8.356 9.405 2 HA MET 1 HA MET 1 -6.263 6.358 8.107 3 HB2 MET 1 HB2 MET 1 -3.685 7.975 8.221 4 HB3 MET 1 HB3 MET 1 -4.052 6.846 6.923 5 HG2 MET 1 HG2 MET 1 -4.537 9.110 6.221 6 HG3 MET 1 HG3 MET 1 -6.035 8.184 6.321 7 HE1 MET 1 HE1 MET 1 -5.974 11.380 6.133 8 HE2 MET 1 HE2 MET 1 -7.176 11.810 7.352 9 HE3 MET 1 HE3 MET 1 -7.472 10.455 6.264 10 H THR 2 H THR 2 -5.210 4.410 7.537 11 HA THR 2 HA THR 2 -3.899 2.957 9.702 12 HB THR 2 HB THR 2 -4.712 2.032 6.896 13 HG1 THR 2 HG1 THR 2 -6.079 2.236 9.334 14 HG21 THR 2 HG21 THR 2 -3.078 0.449 7.806 15 HG22 THR 2 HG22 THR 2 -4.697 -0.277 7.838 16 HG23 THR 2 HG23 THR 2 -3.977 0.355 9.327 17 H ARG 3 H ARG 3 -1.831 3.814 9.911 18 HA ARG 3 HA ARG 3 -0.235 4.454 7.504 19 HB2 ARG 3 HB2 ARG 3 0.198 5.308 10.392 20 HB3 ARG 3 HB3 ARG 3 1.045 5.936 8.976 21 HG2 ARG 3 HG2 ARG 3 -1.104 6.867 8.140 22 HG3 ARG 3 HG3 ARG 3 -1.911 6.269 9.594 23 HD2 ARG 3 HD2 ARG 3 -1.402 8.644 9.829 24 HD3 ARG 3 HD3 ARG 3 -0.444 7.705 10.985 25 HE ARG 3 HE ARG 3 0.824 8.346 8.441 26 HH11 ARG 3 HH11 ARG 3 0.609 9.120 11.816 27 HH12 ARG 3 HH12 ARG 3 1.999 10.141 11.746 28 HH21 ARG 3 HH21 ARG 3 2.571 9.642 8.416 29 HH22 ARG 3 HH22 ARG 3 3.080 10.433 9.864 30 H VAL 4 H VAL 4 1.727 3.528 7.063 31 HA VAL 4 HA VAL 4 2.990 1.645 8.990 32 HB VAL 4 HB VAL 4 2.612 1.077 6.008 33 HG11 VAL 4 HG11 VAL 4 3.469 -1.191 6.506 34 HG12 VAL 4 HG12 VAL 4 3.742 -0.722 8.186 35 HG13 VAL 4 HG13 VAL 4 4.662 0.054 6.895 36 HG21 VAL 4 HG21 VAL 4 0.439 0.893 7.147 37 HG22 VAL 4 HG22 VAL 4 1.134 -0.201 8.344 38 HG23 VAL 4 HG23 VAL 4 1.013 -0.705 6.657 39 H ARG 5 H ARG 5 5.279 1.674 8.947 40 HA ARG 5 HA ARG 5 6.631 3.639 7.221 41 HB2 ARG 5 HB2 ARG 5 7.220 3.620 9.633 42 HB3 ARG 5 HB3 ARG 5 7.716 1.935 9.511 43 HG2 ARG 5 HG2 ARG 5 9.463 2.718 7.798 44 HG3 ARG 5 HG3 ARG 5 9.073 4.364 8.292 45 HD2 ARG 5 HD2 ARG 5 10.072 2.190 10.167 46 HD3 ARG 5 HD3 ARG 5 11.108 3.392 9.390 47 HE ARG 5 HE ARG 5 8.922 4.458 10.980 48 HH11 ARG 5 HH11 ARG 5 12.257 3.500 11.006 49 HH12 ARG 5 HH12 ARG 5 12.633 4.483 12.374 50 HH21 ARG 5 HH21 ARG 5 9.427 5.713 12.712 51 HH22 ARG 5 HH22 ARG 5 11.039 5.723 13.335 52 H SER 6 H SER 6 8.119 3.093 5.620 53 HA SER 6 HA SER 6 8.964 0.254 5.315 54 HB2 SER 6 HB2 SER 6 7.599 0.995 3.371 55 HB3 SER 6 HB3 SER 6 8.701 2.338 3.102 56 HG SER 6 HG SER 6 9.906 1.017 2.014 57 H THR 7 H THR 7 11.179 0.067 4.264 58 HA THR 7 HA THR 7 13.002 2.204 5.210 59 HB THR 7 HB THR 7 14.677 0.003 4.875 60 HG1 THR 7 HG1 THR 7 12.409 -1.063 6.183 61 HG21 THR 7 HG21 THR 7 14.698 -0.178 7.318 62 HG22 THR 7 HG22 THR 7 13.206 0.759 7.418 63 HG23 THR 7 HG23 THR 7 14.684 1.516 6.808 64 HA PRO 8 HA PRO 8 14.329 3.232 1.033 65 HB2 PRO 8 HB2 PRO 8 17.002 3.329 2.454 66 HB3 PRO 8 HB3 PRO 8 16.297 4.476 1.320 67 HG2 PRO 8 HG2 PRO 8 16.242 5.008 3.918 68 HG3 PRO 8 HG3 PRO 8 14.831 5.362 2.910 69 HD2 PRO 8 HD2 PRO 8 15.251 3.123 4.854 70 HD3 PRO 8 HD3 PRO 8 13.763 4.009 4.455 71 H GLY 9 H GLY 9 14.428 1.646 -0.465 72 HA2 GLY 9 HA2 GLY 9 15.696 0.296 -1.925 73 HA3 GLY 9 HA3 GLY 9 16.814 -0.087 -0.628 74 H GLY 10 H GLY 10 14.465 -0.725 1.173 75 HA2 GLY 10 HA2 GLY 10 14.261 -3.551 0.508 76 HA3 GLY 10 HA3 GLY 10 13.687 -2.762 1.968 77 H ASP 11 H ASP 11 12.020 -4.554 1.146 78 HA ASP 11 HA ASP 11 10.015 -3.405 -0.646 79 HB2 ASP 11 HB2 ASP 11 8.834 -5.619 -0.336 80 HB3 ASP 11 HB3 ASP 11 10.438 -5.727 -1.049 81 H LEU 12 H LEU 12 8.309 -2.302 0.033 82 HA LEU 12 HA LEU 12 7.467 -2.022 2.767 83 HB2 LEU 12 HB2 LEU 12 7.159 -0.188 1.184 84 HB3 LEU 12 HB3 LEU 12 6.263 -1.222 0.087 85 HG LEU 12 HG LEU 12 4.382 -1.317 1.725 86 HD11 LEU 12 HD11 LEU 12 4.300 0.196 3.644 87 HD12 LEU 12 HD12 LEU 12 5.962 0.699 3.345 88 HD13 LEU 12 HD13 LEU 12 5.615 -0.968 3.811 89 HD21 LEU 12 HD21 LEU 12 4.329 0.333 -0.087 90 HD22 LEU 12 HD22 LEU 12 5.193 1.498 0.919 91 HD23 LEU 12 HD23 LEU 12 3.567 0.980 1.367 92 H GLU 13 H GLU 13 5.597 -2.974 3.744 93 HA GLU 13 HA GLU 13 3.825 -4.651 2.104 94 HB2 GLU 13 HB2 GLU 13 5.430 -6.252 3.114 95 HB3 GLU 13 HB3 GLU 13 5.054 -5.637 4.722 96 HG2 GLU 13 HG2 GLU 13 2.712 -6.397 4.451 97 HG3 GLU 13 HG3 GLU 13 3.106 -7.016 2.853 98 H LEU 14 H LEU 14 1.865 -3.812 2.374 99 HA LEU 14 HA LEU 14 1.087 -2.434 4.870 100 HB2 LEU 14 HB2 LEU 14 -0.262 -2.511 2.128 101 HB3 LEU 14 HB3 LEU 14 -0.747 -1.498 3.486 102 HG LEU 14 HG LEU 14 1.903 -1.285 1.995 103 HD11 LEU 14 HD11 LEU 14 1.054 0.816 1.090 104 HD12 LEU 14 HD12 LEU 14 -0.508 0.539 1.867 105 HD13 LEU 14 HD13 LEU 14 0.053 -0.548 0.594 106 HD21 LEU 14 HD21 LEU 14 2.125 -0.615 4.335 107 HD22 LEU 14 HD22 LEU 14 0.760 0.494 4.169 108 HD23 LEU 14 HD23 LEU 14 2.250 0.778 3.264 109 H VAL 15 H VAL 15 0.405 -4.047 6.269 110 HA VAL 15 HA VAL 15 -1.470 -6.130 5.381 111 HB VAL 15 HB VAL 15 -0.343 -5.626 8.185 112 HG11 VAL 15 HG11 VAL 15 -1.820 -8.052 7.073 113 HG12 VAL 15 HG12 VAL 15 -2.453 -6.898 8.250 114 HG13 VAL 15 HG13 VAL 15 -1.098 -7.941 8.681 115 HG21 VAL 15 HG21 VAL 15 1.213 -7.501 7.717 116 HG22 VAL 15 HG22 VAL 15 1.468 -6.163 6.597 117 HG23 VAL 15 HG23 VAL 15 0.602 -7.606 6.064 118 H VAL 16 H VAL 16 -3.610 -5.690 5.369 119 HA VAL 16 HA VAL 16 -4.454 -3.099 6.484 120 HB VAL 16 HB VAL 16 -5.835 -4.845 4.397 121 HG11 VAL 16 HG11 VAL 16 -7.130 -2.824 3.847 122 HG12 VAL 16 HG12 VAL 16 -6.346 -1.953 5.168 123 HG13 VAL 16 HG13 VAL 16 -7.401 -3.323 5.519 124 HG21 VAL 16 HG21 VAL 16 -4.944 -3.268 2.724 125 HG22 VAL 16 HG22 VAL 16 -3.637 -4.075 3.594 126 HG23 VAL 16 HG23 VAL 16 -4.061 -2.411 3.986 127 H HIS 17 H HIS 17 -5.581 -3.050 8.296 128 HA HIS 17 HA HIS 17 -7.724 -5.041 8.781 129 HB2 HIS 17 HB2 HIS 17 -6.089 -3.484 10.844 130 HB3 HIS 17 HB3 HIS 17 -7.456 -4.534 11.223 131 HD1 HIS 17 HD1 HIS 17 -7.098 -7.115 10.873 132 HD2 HIS 17 HD2 HIS 17 -3.659 -4.832 10.357 133 HE1 HIS 17 HE1 HIS 17 -5.204 -8.753 10.848 134 HE2 HIS 17 HE2 HIS 17 -3.138 -7.367 10.516 135 H LEU 18 H LEU 18 -8.688 -3.546 7.185 136 HA LEU 18 HA LEU 18 -9.646 -0.975 7.602 137 HB2 LEU 18 HB2 LEU 18 -10.612 -3.381 6.108 138 HB3 LEU 18 HB3 LEU 18 -11.688 -1.999 6.176 139 HG LEU 18 HG LEU 18 -8.866 -1.897 5.074 140 HD11 LEU 18 HD11 LEU 18 -11.451 -2.159 3.527 141 HD12 LEU 18 HD12 LEU 18 -10.208 -3.401 3.691 142 HD13 LEU 18 HD13 LEU 18 -9.847 -1.906 2.833 143 HD21 LEU 18 HD21 LEU 18 -9.679 0.260 5.854 144 HD22 LEU 18 HD22 LEU 18 -11.139 0.080 4.875 145 HD23 LEU 18 HD23 LEU 18 -9.561 0.230 4.096 146 H SER 19 H SER 19 -11.700 -0.150 8.242 147 HA SER 19 HA SER 19 -12.890 -1.308 10.612 148 HB2 SER 19 HB2 SER 19 -13.712 1.157 9.007 149 HB3 SER 19 HB3 SER 19 -14.306 0.729 10.616 150 HG SER 19 HG SER 19 -12.681 1.980 11.163 151 H GLY 20 H GLY 20 -13.759 -0.955 7.202 152 HA2 GLY 20 HA2 GLY 20 -15.874 -3.010 7.498 153 HA3 GLY 20 HA3 GLY 20 -16.242 -1.510 6.659 154 HA PRO 21 HA PRO 21 -12.901 -3.781 3.968 155 HB2 PRO 21 HB2 PRO 21 -12.235 -6.343 4.492 156 HB3 PRO 21 HB3 PRO 21 -11.586 -5.009 5.462 157 HG2 PRO 21 HG2 PRO 21 -13.893 -6.859 6.080 158 HG3 PRO 21 HG3 PRO 21 -12.558 -6.350 7.136 159 HD2 PRO 21 HD2 PRO 21 -15.065 -5.184 7.171 160 HD3 PRO 21 HD3 PRO 21 -13.582 -4.337 7.661 161 H GLY 22 H GLY 22 -12.794 -6.042 2.551 162 HA2 GLY 22 HA2 GLY 22 -15.039 -7.543 1.941 163 HA3 GLY 22 HA3 GLY 22 -15.196 -6.065 0.995 164 H GLY 23 H GLY 23 -15.112 -7.812 -0.726 165 HA2 GLY 23 HA2 GLY 23 -12.394 -7.923 -1.835 166 HA3 GLY 23 HA3 GLY 23 -13.219 -9.451 -1.579 167 HA PRO 24 HA PRO 24 -11.337 -8.107 -3.607 168 HB2 PRO 24 HB2 PRO 24 -11.214 -6.730 -6.198 169 HB3 PRO 24 HB3 PRO 24 -10.621 -8.337 -5.780 170 HG2 PRO 24 HG2 PRO 24 -12.744 -7.923 -7.459 171 HG3 PRO 24 HG3 PRO 24 -12.570 -9.380 -6.457 172 HD2 PRO 24 HD2 PRO 24 -14.233 -6.908 -5.932 173 HD3 PRO 24 HD3 PRO 24 -14.679 -8.623 -5.755 174 H VAL 25 H VAL 25 -9.777 -6.346 -3.461 175 HA VAL 25 HA VAL 25 -10.940 -3.649 -3.011 176 HB VAL 25 HB VAL 25 -8.669 -5.065 -1.549 177 HG11 VAL 25 HG11 VAL 25 -9.522 -2.163 -1.226 178 HG12 VAL 25 HG12 VAL 25 -7.984 -2.725 -1.883 179 HG13 VAL 25 HG13 VAL 25 -8.379 -3.017 -0.189 180 HG21 VAL 25 HG21 VAL 25 -11.325 -3.964 -0.537 181 HG22 VAL 25 HG22 VAL 25 -10.096 -4.754 0.452 182 HG23 VAL 25 HG23 VAL 25 -10.946 -5.672 -0.791 183 H ARG 26 H ARG 26 -10.006 -1.933 -4.038 184 HA ARG 26 HA ARG 26 -7.894 -2.444 -6.030 185 HB2 ARG 26 HB2 ARG 26 -9.890 -0.158 -5.726 186 HB3 ARG 26 HB3 ARG 26 -8.657 -0.225 -6.989 187 HG2 ARG 26 HG2 ARG 26 -9.692 -2.300 -7.875 188 HG3 ARG 26 HG3 ARG 26 -10.916 -2.232 -6.602 189 HD2 ARG 26 HD2 ARG 26 -10.506 -0.108 -8.740 190 HD3 ARG 26 HD3 ARG 26 -11.734 -1.381 -8.794 191 HE ARG 26 HE ARG 26 -11.799 0.315 -6.429 192 HH11 ARG 26 HH11 ARG 26 -13.088 -0.166 -9.619 193 HH12 ARG 26 HH12 ARG 26 -14.472 0.814 -9.296 194 HH21 ARG 26 HH21 ARG 26 -13.593 1.531 -6.064 195 HH22 ARG 26 HH22 ARG 26 -14.758 1.753 -7.324 196 H TRP 27 H TRP 27 -5.924 -1.558 -5.867 197 HA TRP 27 HA TRP 27 -5.295 0.263 -3.631 198 HB2 TRP 27 HB2 TRP 27 -3.649 -1.763 -5.177 199 HB3 TRP 27 HB3 TRP 27 -2.864 -0.492 -4.239 200 HD1 TRP 27 HD1 TRP 27 -4.747 -3.780 -3.784 201 HE1 TRP 27 HE1 TRP 27 -4.649 -4.416 -1.299 202 HE3 TRP 27 HE3 TRP 27 -2.859 0.588 -1.923 203 HZ2 TRP 27 HZ2 TRP 27 -3.900 -3.205 1.138 204 HZ3 TRP 27 HZ3 TRP 27 -2.507 0.785 0.513 205 HH2 TRP 27 HH2 TRP 27 -3.019 -1.079 2.011 206 H TYR 28 H TYR 28 -4.445 2.239 -3.941 207 HA TYR 28 HA TYR 28 -3.588 3.098 -6.657 208 HB2 TYR 28 HB2 TYR 28 -5.267 4.695 -4.668 209 HB3 TYR 28 HB3 TYR 28 -4.620 5.337 -6.175 210 HD1 TYR 28 HD1 TYR 28 -5.585 4.584 -8.357 211 HD2 TYR 28 HD2 TYR 28 -7.265 3.285 -4.643 212 HE1 TYR 28 HE1 TYR 28 -7.616 3.892 -9.525 213 HE2 TYR 28 HE2 TYR 28 -9.306 2.577 -5.826 214 HH TYR 28 HH TYR 28 -10.503 3.104 -7.904 215 H LYS 29 H LYS 29 -1.484 3.754 -6.584 216 HA LYS 29 HA LYS 29 -0.399 5.005 -4.121 217 HB2 LYS 29 HB2 LYS 29 1.004 3.226 -4.829 218 HB3 LYS 29 HB3 LYS 29 0.922 3.690 -6.510 219 HG2 LYS 29 HG2 LYS 29 3.139 4.142 -5.479 220 HG3 LYS 29 HG3 LYS 29 2.380 5.589 -6.143 221 HD2 LYS 29 HD2 LYS 29 1.729 6.319 -3.890 222 HD3 LYS 29 HD3 LYS 29 2.376 4.836 -3.192 223 HE2 LYS 29 HE2 LYS 29 3.991 6.976 -4.621 224 HE3 LYS 29 HE3 LYS 29 3.913 6.735 -2.875 225 HZ1 LYS 29 HZ1 LYS 29 4.952 4.579 -3.146 226 HZ2 LYS 29 HZ2 LYS 29 5.915 5.768 -3.856 227 HZ3 LYS 29 HZ3 LYS 29 4.975 4.753 -4.827 228 H ASP 30 H ASP 30 -0.391 7.132 -4.067 229 HA ASP 30 HA ASP 30 -0.257 9.328 -4.562 230 HB2 ASP 30 HB2 ASP 30 1.974 8.604 -5.455 231 HB3 ASP 30 HB3 ASP 30 1.259 8.378 -7.044 232 H GLY 31 H GLY 31 -2.518 7.665 -5.558 233 HA2 GLY 31 HA2 GLY 31 -4.573 8.485 -6.433 234 HA3 GLY 31 HA3 GLY 31 -3.693 9.515 -7.550 235 H GLU 32 H GLU 32 -1.897 7.072 -8.151 236 HA GLU 32 HA GLU 32 -3.587 6.114 -10.385 237 HB2 GLU 32 HB2 GLU 32 -1.436 7.221 -10.946 238 HB3 GLU 32 HB3 GLU 32 -0.562 6.044 -9.973 239 HG2 GLU 32 HG2 GLU 32 -1.392 4.241 -11.541 240 HG3 GLU 32 HG3 GLU 32 -2.073 5.516 -12.555 241 H ARG 33 H ARG 33 -4.199 4.022 -10.534 242 HA ARG 33 HA ARG 33 -4.101 2.242 -8.382 243 HB2 ARG 33 HB2 ARG 33 -5.302 0.687 -9.738 244 HB3 ARG 33 HB3 ARG 33 -5.828 2.276 -10.255 245 HG2 ARG 33 HG2 ARG 33 -3.744 0.637 -11.733 246 HG3 ARG 33 HG3 ARG 33 -5.468 0.591 -12.109 247 HD2 ARG 33 HD2 ARG 33 -5.439 2.943 -12.736 248 HD3 ARG 33 HD3 ARG 33 -3.761 3.106 -12.212 249 HE ARG 33 HE ARG 33 -3.268 1.394 -14.023 250 HH11 ARG 33 HH11 ARG 33 -5.900 3.633 -14.358 251 HH12 ARG 33 HH12 ARG 33 -5.800 3.638 -16.082 252 HH21 ARG 33 HH21 ARG 33 -3.161 1.455 -16.230 253 HH22 ARG 33 HH22 ARG 33 -4.288 2.418 -17.124 254 H LEU 34 H LEU 34 -3.115 0.155 -8.116 255 HA LEU 34 HA LEU 34 -0.491 -0.151 -9.469 256 HB2 LEU 34 HB2 LEU 34 -1.446 -1.130 -6.757 257 HB3 LEU 34 HB3 LEU 34 0.092 -1.584 -7.472 258 HG LEU 34 HG LEU 34 -0.751 1.152 -6.457 259 HD11 LEU 34 HD11 LEU 34 1.292 0.945 -5.081 260 HD12 LEU 34 HD12 LEU 34 1.539 -0.687 -5.730 261 HD13 LEU 34 HD13 LEU 34 0.107 -0.322 -4.761 262 HD21 LEU 34 HD21 LEU 34 1.419 2.030 -7.286 263 HD22 LEU 34 HD22 LEU 34 0.366 1.536 -8.606 264 HD23 LEU 34 HD23 LEU 34 1.712 0.501 -8.120 265 H ALA 35 H ALA 35 0.041 -2.020 -10.499 266 HA ALA 35 HA ALA 35 -2.046 -4.068 -10.898 267 HB1 ALA 35 HB1 ALA 35 -0.810 -4.670 -12.940 268 HB2 ALA 35 HB2 ALA 35 0.453 -3.502 -12.544 269 HB3 ALA 35 HB3 ALA 35 -1.176 -2.944 -12.923 270 H SER 36 H SER 36 -1.621 -6.276 -10.627 271 HA SER 36 HA SER 36 0.222 -7.002 -8.544 272 HB2 SER 36 HB2 SER 36 -0.709 -9.326 -8.873 273 HB3 SER 36 HB3 SER 36 -1.953 -8.103 -8.627 274 HG SER 36 HG SER 36 -1.149 -8.928 -11.229 275 H GLN 37 H GLN 37 2.334 -6.682 -9.284 276 HA GLN 37 HA GLN 37 3.362 -8.712 -11.193 277 HB2 GLN 37 HB2 GLN 37 4.984 -7.000 -12.040 278 HB3 GLN 37 HB3 GLN 37 3.304 -6.616 -12.396 279 HG2 GLN 37 HG2 GLN 37 3.295 -5.018 -10.487 280 HG3 GLN 37 HG3 GLN 37 4.998 -5.369 -10.209 281 HE21 GLN 37 HE21 GLN 37 5.677 -5.459 -13.065 282 HE22 GLN 37 HE22 GLN 37 5.628 -3.828 -13.619 283 H GLY 38 H GLY 38 6.111 -8.105 -10.973 284 HA2 GLY 38 HA2 GLY 38 6.830 -9.848 -8.902 285 HA3 GLY 38 HA3 GLY 38 7.941 -8.860 -9.826 286 H ARG 39 H ARG 39 7.689 -6.369 -9.080 287 HA ARG 39 HA ARG 39 8.504 -6.255 -6.307 288 HB2 ARG 39 HB2 ARG 39 8.145 -4.056 -8.387 289 HB3 ARG 39 HB3 ARG 39 8.735 -3.767 -6.748 290 HG2 ARG 39 HG2 ARG 39 10.640 -5.336 -7.211 291 HG3 ARG 39 HG3 ARG 39 10.086 -5.459 -8.883 292 HD2 ARG 39 HD2 ARG 39 10.536 -3.123 -9.280 293 HD3 ARG 39 HD3 ARG 39 10.822 -2.821 -7.561 294 HE ARG 39 HE ARG 39 12.598 -4.424 -9.318 295 HH11 ARG 39 HH11 ARG 39 12.209 -2.344 -6.571 296 HH12 ARG 39 HH12 ARG 39 13.906 -2.287 -6.259 297 HH21 ARG 39 HH21 ARG 39 14.765 -4.325 -8.868 298 HH22 ARG 39 HH22 ARG 39 15.322 -3.360 -7.547 299 H VAL 40 H VAL 40 5.654 -5.220 -8.150 300 HA VAL 40 HA VAL 40 4.374 -4.087 -5.753 301 HB VAL 40 HB VAL 40 3.438 -4.006 -8.656 302 HG11 VAL 40 HG11 VAL 40 1.565 -3.769 -7.092 303 HG12 VAL 40 HG12 VAL 40 1.881 -2.236 -7.905 304 HG13 VAL 40 HG13 VAL 40 2.410 -2.477 -6.237 305 HG21 VAL 40 HG21 VAL 40 5.555 -2.779 -8.372 306 HG22 VAL 40 HG22 VAL 40 4.866 -1.859 -7.034 307 HG23 VAL 40 HG23 VAL 40 4.225 -1.656 -8.667 308 H GLN 41 H GLN 41 3.885 -6.025 -4.627 309 HA GLN 41 HA GLN 41 2.358 -8.161 -5.962 310 HB2 GLN 41 HB2 GLN 41 3.457 -8.085 -3.124 311 HB3 GLN 41 HB3 GLN 41 2.811 -9.499 -3.961 312 HG2 GLN 41 HG2 GLN 41 4.673 -9.416 -5.563 313 HG3 GLN 41 HG3 GLN 41 5.302 -7.964 -4.777 314 HE21 GLN 41 HE21 GLN 41 7.268 -8.909 -4.239 315 HE22 GLN 41 HE22 GLN 41 7.418 -10.137 -3.034 316 H LEU 42 H LEU 42 0.191 -8.328 -5.803 317 HA LEU 42 HA LEU 42 -1.271 -6.982 -3.606 318 HB2 LEU 42 HB2 LEU 42 -2.224 -7.829 -6.368 319 HB3 LEU 42 HB3 LEU 42 -3.262 -7.136 -5.129 320 HG LEU 42 HG LEU 42 -0.931 -5.719 -6.496 321 HD11 LEU 42 HD11 LEU 42 -2.631 -4.280 -7.504 322 HD12 LEU 42 HD12 LEU 42 -3.911 -5.226 -6.740 323 HD13 LEU 42 HD13 LEU 42 -2.880 -5.965 -7.970 324 HD21 LEU 42 HD21 LEU 42 -2.867 -4.667 -4.410 325 HD22 LEU 42 HD22 LEU 42 -1.668 -3.707 -5.283 326 HD23 LEU 42 HD23 LEU 42 -1.145 -4.974 -4.177 327 H GLU 43 H GLU 43 -1.088 -8.618 -2.062 328 HA GLU 43 HA GLU 43 -2.210 -11.271 -2.512 329 HB2 GLU 43 HB2 GLU 43 -0.247 -11.039 -1.041 330 HB3 GLU 43 HB3 GLU 43 -1.135 -9.935 0.003 331 HG2 GLU 43 HG2 GLU 43 -2.675 -11.758 0.639 332 HG3 GLU 43 HG3 GLU 43 -1.792 -12.869 -0.408 333 H GLN 44 H GLN 44 -4.398 -11.236 -2.770 334 HA GLN 44 HA GLN 44 -6.130 -9.733 -0.931 335 HB2 GLN 44 HB2 GLN 44 -7.998 -10.558 -2.431 336 HB3 GLN 44 HB3 GLN 44 -6.813 -9.530 -3.222 337 HG2 GLN 44 HG2 GLN 44 -5.780 -11.474 -4.281 338 HG3 GLN 44 HG3 GLN 44 -6.873 -12.556 -3.426 339 HE21 GLN 44 HE21 GLN 44 -9.238 -10.895 -3.818 340 HE22 GLN 44 HE22 GLN 44 -9.660 -11.026 -5.483 341 H ALA 45 H ALA 45 -6.481 -10.691 0.973 342 HA ALA 45 HA ALA 45 -6.793 -13.628 1.203 343 HB1 ALA 45 HB1 ALA 45 -6.405 -13.310 3.610 344 HB2 ALA 45 HB2 ALA 45 -6.347 -11.560 3.382 345 HB3 ALA 45 HB3 ALA 45 -5.103 -12.583 2.664 346 H GLY 46 H GLY 46 -8.391 -10.584 2.190 347 HA2 GLY 46 HA2 GLY 46 -10.975 -11.031 1.567 348 HA3 GLY 46 HA3 GLY 46 -10.834 -11.926 3.079 349 H ALA 47 H ALA 47 -10.629 -10.789 5.041 350 HA ALA 47 HA ALA 47 -11.267 -7.975 5.149 351 HB1 ALA 47 HB1 ALA 47 -10.967 -8.211 7.590 352 HB2 ALA 47 HB2 ALA 47 -10.282 -9.822 7.355 353 HB3 ALA 47 HB3 ALA 47 -11.969 -9.514 6.946 354 H ARG 48 H ARG 48 -8.374 -9.932 5.594 355 HA ARG 48 HA ARG 48 -6.522 -7.713 5.730 356 HB2 ARG 48 HB2 ARG 48 -5.836 -9.694 6.879 357 HB3 ARG 48 HB3 ARG 48 -6.210 -10.727 5.505 358 HG2 ARG 48 HG2 ARG 48 -4.281 -9.767 4.264 359 HG3 ARG 48 HG3 ARG 48 -3.906 -8.744 5.655 360 HD2 ARG 48 HD2 ARG 48 -3.352 -10.665 7.010 361 HD3 ARG 48 HD3 ARG 48 -3.991 -11.778 5.799 362 HE ARG 48 HE ARG 48 -2.130 -10.996 4.323 363 HH11 ARG 48 HH11 ARG 48 -1.714 -10.786 7.772 364 HH12 ARG 48 HH12 ARG 48 0.004 -10.921 7.660 365 HH21 ARG 48 HH21 ARG 48 0.034 -11.187 4.226 366 HH22 ARG 48 HH22 ARG 48 0.983 -11.140 5.675 367 H GLN 49 H GLN 49 -5.928 -6.579 3.982 368 HA GLN 49 HA GLN 49 -5.379 -7.989 1.423 369 HB2 GLN 49 HB2 GLN 49 -5.860 -4.999 1.853 370 HB3 GLN 49 HB3 GLN 49 -5.532 -5.780 0.306 371 HG2 GLN 49 HG2 GLN 49 -7.993 -6.215 2.034 372 HG3 GLN 49 HG3 GLN 49 -7.915 -5.226 0.583 373 HE21 GLN 49 HE21 GLN 49 -9.584 -7.604 1.210 374 HE22 GLN 49 HE22 GLN 49 -9.265 -8.727 -0.061 375 H VAL 50 H VAL 50 -3.303 -7.504 0.460 376 HA VAL 50 HA VAL 50 -1.358 -6.028 2.111 377 HB VAL 50 HB VAL 50 -0.939 -8.894 1.162 378 HG11 VAL 50 HG11 VAL 50 1.157 -6.997 2.282 379 HG12 VAL 50 HG12 VAL 50 1.110 -7.662 0.646 380 HG13 VAL 50 HG13 VAL 50 1.388 -8.729 2.021 381 HG21 VAL 50 HG21 VAL 50 -0.765 -7.695 3.954 382 HG22 VAL 50 HG22 VAL 50 -0.468 -9.385 3.532 383 HG23 VAL 50 HG23 VAL 50 -2.082 -8.701 3.340 384 H LEU 51 H LEU 51 -0.652 -4.472 0.829 385 HA LEU 51 HA LEU 51 0.215 -5.101 -1.927 386 HB2 LEU 51 HB2 LEU 51 -1.332 -3.268 -1.894 387 HB3 LEU 51 HB3 LEU 51 -0.492 -2.476 -0.593 388 HG LEU 51 HG LEU 51 -0.327 -1.463 -2.978 389 HD11 LEU 51 HD11 LEU 51 1.914 -0.611 -2.637 390 HD12 LEU 51 HD12 LEU 51 2.249 -1.878 -1.455 391 HD13 LEU 51 HD13 LEU 51 1.019 -0.660 -1.118 392 HD21 LEU 51 HD21 LEU 51 1.756 -3.635 -3.348 393 HD22 LEU 51 HD22 LEU 51 1.403 -2.300 -4.453 394 HD23 LEU 51 HD23 LEU 51 0.203 -3.553 -4.172 395 H ARG 52 H ARG 52 2.301 -5.239 -2.349 396 HA ARG 52 HA ARG 52 4.313 -4.321 -0.375 397 HB2 ARG 52 HB2 ARG 52 4.492 -6.698 -2.288 398 HB3 ARG 52 HB3 ARG 52 5.731 -6.201 -1.134 399 HG2 ARG 52 HG2 ARG 52 4.281 -6.748 0.740 400 HG3 ARG 52 HG3 ARG 52 2.940 -7.105 -0.352 401 HD2 ARG 52 HD2 ARG 52 4.251 -8.996 -1.299 402 HD3 ARG 52 HD3 ARG 52 5.545 -8.658 -0.145 403 HE ARG 52 HE ARG 52 3.861 -9.123 1.635 404 HH11 ARG 52 HH11 ARG 52 3.495 -10.621 -1.480 405 HH12 ARG 52 HH12 ARG 52 2.501 -11.890 -0.855 406 HH21 ARG 52 HH21 ARG 52 2.590 -10.733 2.394 407 HH22 ARG 52 HH22 ARG 52 1.979 -11.943 1.320 408 H VAL 53 H VAL 53 5.945 -2.990 -1.119 409 HA VAL 53 HA VAL 53 6.295 -2.607 -4.055 410 HB VAL 53 HB VAL 53 6.454 -0.420 -1.913 411 HG11 VAL 53 HG11 VAL 53 6.954 -0.177 -4.910 412 HG12 VAL 53 HG12 VAL 53 8.169 -0.037 -3.638 413 HG13 VAL 53 HG13 VAL 53 6.890 1.170 -3.768 414 HG21 VAL 53 HG21 VAL 53 4.129 -0.984 -2.479 415 HG22 VAL 53 HG22 VAL 53 4.468 -0.762 -4.196 416 HG23 VAL 53 HG23 VAL 53 4.542 0.617 -3.095 417 H GLN 54 H GLN 54 8.099 -3.903 -4.292 418 HA GLN 54 HA GLN 54 10.337 -3.832 -2.473 419 HB2 GLN 54 HB2 GLN 54 9.511 -5.769 -4.090 420 HB3 GLN 54 HB3 GLN 54 10.549 -4.983 -5.262 421 HG2 GLN 54 HG2 GLN 54 11.627 -5.814 -2.565 422 HG3 GLN 54 HG3 GLN 54 11.452 -6.990 -3.858 423 HE21 GLN 54 HE21 GLN 54 13.678 -7.384 -3.903 424 HE22 GLN 54 HE22 GLN 54 14.802 -6.250 -4.554 425 H GLY 55 H GLY 55 12.136 -2.576 -2.539 426 HA2 GLY 55 HA2 GLY 55 13.745 -1.097 -3.374 427 HA3 GLY 55 HA3 GLY 55 12.880 -1.007 -4.903 428 H ALA 56 H ALA 56 11.097 -0.543 -1.959 429 HA ALA 56 HA ALA 56 10.292 2.118 -2.512 430 HB1 ALA 56 HB1 ALA 56 8.914 0.558 -1.177 431 HB2 ALA 56 HB2 ALA 56 9.230 2.048 -0.286 432 HB3 ALA 56 HB3 ALA 56 10.126 0.579 0.109 433 H ARG 57 H ARG 57 11.891 3.640 -2.653 434 HA ARG 57 HA ARG 57 13.967 3.821 -0.544 435 HB2 ARG 57 HB2 ARG 57 13.902 4.784 -3.421 436 HB3 ARG 57 HB3 ARG 57 15.154 5.284 -2.286 437 HG2 ARG 57 HG2 ARG 57 15.878 2.961 -2.011 438 HG3 ARG 57 HG3 ARG 57 14.579 2.404 -3.071 439 HD2 ARG 57 HD2 ARG 57 16.875 2.566 -4.143 440 HD3 ARG 57 HD3 ARG 57 15.586 3.427 -4.986 441 HE ARG 57 HE ARG 57 16.549 5.456 -4.413 442 HH11 ARG 57 HH11 ARG 57 18.352 2.941 -2.847 443 HH12 ARG 57 HH12 ARG 57 19.662 3.993 -2.461 444 HH21 ARG 57 HH21 ARG 57 18.242 6.760 -3.885 445 HH22 ARG 57 HH22 ARG 57 19.599 6.116 -3.033 446 H SER 58 H SER 58 14.841 6.304 -0.535 447 HA SER 58 HA SER 58 12.936 7.851 0.860 448 HB2 SER 58 HB2 SER 58 15.557 8.763 -0.415 449 HB3 SER 58 HB3 SER 58 14.681 9.612 0.862 450 HG SER 58 HG SER 58 16.520 7.811 1.187 451 H GLY 59 H GLY 59 11.180 8.761 -0.053 452 HA2 GLY 59 HA2 GLY 59 10.397 10.646 -1.498 453 HA3 GLY 59 HA3 GLY 59 11.301 9.904 -2.814 454 H ASP 60 H ASP 60 10.313 7.215 -1.522 455 HA ASP 60 HA ASP 60 7.972 6.825 -3.154 456 HB2 ASP 60 HB2 ASP 60 9.727 5.081 -2.797 457 HB3 ASP 60 HB3 ASP 60 9.286 4.991 -1.096 458 H ALA 61 H ALA 61 8.408 8.067 -0.059 459 HA ALA 61 HA ALA 61 6.296 6.990 1.479 460 HB1 ALA 61 HB1 ALA 61 6.730 8.892 2.991 461 HB2 ALA 61 HB2 ALA 61 7.707 9.674 1.745 462 HB3 ALA 61 HB3 ALA 61 8.243 8.152 2.461 463 H GLY 62 H GLY 62 4.368 6.993 0.431 464 HA2 GLY 62 HA2 GLY 62 3.057 9.576 -0.125 465 HA3 GLY 62 HA3 GLY 62 3.194 8.391 -1.415 466 H GLU 63 H GLU 63 0.745 9.068 -1.027 467 HA GLU 63 HA GLU 63 -0.617 7.541 1.025 468 HB2 GLU 63 HB2 GLU 63 -1.713 9.198 -1.283 469 HB3 GLU 63 HB3 GLU 63 -2.697 8.419 -0.053 470 HG2 GLU 63 HG2 GLU 63 -2.604 10.623 0.674 471 HG3 GLU 63 HG3 GLU 63 -1.380 9.831 1.656 472 H TYR 64 H TYR 64 -1.227 5.524 0.829 473 HA TYR 64 HA TYR 64 -1.687 4.270 -1.815 474 HB2 TYR 64 HB2 TYR 64 -0.831 3.060 0.845 475 HB3 TYR 64 HB3 TYR 64 -1.316 2.096 -0.544 476 HD1 TYR 64 HD2 TYR 64 1.292 4.565 0.623 477 HD2 TYR 64 HD1 TYR 64 0.239 1.583 -2.263 478 HE1 TYR 64 HE2 TYR 64 3.608 4.524 -0.195 479 HE2 TYR 64 HE1 TYR 64 2.548 1.562 -3.080 480 HH TYR 64 HH TYR 64 5.133 2.961 -1.423 481 H LEU 65 H LEU 65 -3.863 4.241 -2.227 482 HA LEU 65 HA LEU 65 -5.797 4.361 -0.037 483 HB2 LEU 65 HB2 LEU 65 -6.005 5.981 -1.888 484 HB3 LEU 65 HB3 LEU 65 -6.143 4.669 -3.045 485 HG LEU 65 HG LEU 65 -8.312 3.986 -1.982 486 HD11 LEU 65 HD11 LEU 65 -9.464 5.495 -0.437 487 HD12 LEU 65 HD12 LEU 65 -8.028 6.516 -0.336 488 HD13 LEU 65 HD13 LEU 65 -7.980 4.858 0.272 489 HD21 LEU 65 HD21 LEU 65 -8.312 5.414 -3.978 490 HD22 LEU 65 HD22 LEU 65 -8.255 6.858 -2.963 491 HD23 LEU 65 HD23 LEU 65 -9.668 5.801 -2.918 492 H CYS 66 H CYS 66 -6.052 2.323 0.789 493 HA CYS 66 HA CYS 66 -6.688 -0.018 -0.790 494 HB2 CYS 66 HB2 CYS 66 -5.677 -0.266 1.433 495 HB3 CYS 66 HB3 CYS 66 -7.029 0.573 2.181 496 HG CYS 66 HG CYS 66 -8.874 -1.479 1.431 497 H ASP 67 H ASP 67 -8.340 0.708 -2.113 498 HA ASP 67 HA ASP 67 -10.815 1.819 -1.100 499 HB2 ASP 67 HB2 ASP 67 -9.842 2.636 -3.216 500 HB3 ASP 67 HB3 ASP 67 -9.935 1.021 -3.909 501 H ALA 68 H ALA 68 -11.850 0.246 0.119 502 HA ALA 68 HA ALA 68 -12.450 -2.399 -0.992 503 HB1 ALA 68 HB1 ALA 68 -11.891 -2.177 1.408 504 HB2 ALA 68 HB2 ALA 68 -13.504 -2.853 1.182 505 HB3 ALA 68 HB3 ALA 68 -13.313 -1.161 1.649 506 HA PRO 69 HA PRO 69 -16.653 -1.247 -2.387 507 HB2 PRO 69 HB2 PRO 69 -18.000 -3.595 -2.174 508 HB3 PRO 69 HB3 PRO 69 -16.707 -3.375 -3.365 509 HG2 PRO 69 HG2 PRO 69 -16.564 -4.669 -0.630 510 HG3 PRO 69 HG3 PRO 69 -15.971 -5.292 -2.186 511 HD2 PRO 69 HD2 PRO 69 -14.319 -4.060 -0.412 512 HD3 PRO 69 HD3 PRO 69 -14.088 -3.909 -2.169 513 H GLN 70 H GLN 70 -16.063 -0.583 0.431 514 HA GLN 70 HA GLN 70 -18.685 -0.300 1.520 515 HB2 GLN 70 HB2 GLN 70 -17.893 -2.780 2.045 516 HB3 GLN 70 HB3 GLN 70 -16.899 -2.027 3.279 517 HG2 GLN 70 HG2 GLN 70 -19.924 -1.792 3.095 518 HG3 GLN 70 HG3 GLN 70 -19.073 -2.957 4.099 519 HE21 GLN 70 HE21 GLN 70 -17.016 -1.063 4.953 520 HE22 GLN 70 HE22 GLN 70 -17.786 0.009 6.062 521 H ASP 71 H ASP 71 -15.215 -0.470 2.495 522 HA ASP 71 HA ASP 71 -15.308 2.288 3.556 523 HB2 ASP 71 HB2 ASP 71 -15.701 0.882 5.490 524 HB3 ASP 71 HB3 ASP 71 -14.389 -0.194 5.050 525 H SER 72 H SER 72 -13.875 3.302 2.266 526 HA SER 72 HA SER 72 -11.392 2.036 1.345 527 HB2 SER 72 HB2 SER 72 -11.197 4.126 -0.071 528 HB3 SER 72 HB3 SER 72 -12.670 3.201 -0.359 529 HG SER 72 HG SER 72 -12.338 5.694 0.866 530 H ARG 73 H ARG 73 -9.474 2.377 2.352 531 HA ARG 73 HA ARG 73 -9.211 4.631 4.273 532 HB2 ARG 73 HB2 ARG 73 -9.084 2.222 5.153 533 HB3 ARG 73 HB3 ARG 73 -7.562 2.065 4.287 534 HG2 ARG 73 HG2 ARG 73 -6.741 2.676 6.350 535 HG3 ARG 73 HG3 ARG 73 -6.956 4.284 5.666 536 HD2 ARG 73 HD2 ARG 73 -8.754 2.844 7.648 537 HD3 ARG 73 HD3 ARG 73 -7.834 4.324 7.905 538 HE ARG 73 HE ARG 73 -9.394 5.445 6.358 539 HH11 ARG 73 HH11 ARG 73 -10.458 2.513 7.867 540 HH12 ARG 73 HH12 ARG 73 -12.119 2.798 7.484 541 HH21 ARG 73 HH21 ARG 73 -11.549 5.786 5.914 542 HH22 ARG 73 HH22 ARG 73 -12.725 4.628 6.425 543 H ILE 74 H ILE 74 -7.542 6.054 4.050 544 HA ILE 74 HA ILE 74 -5.552 5.744 1.926 545 HB ILE 74 HB ILE 74 -5.919 7.998 3.963 546 HG12 ILE 74 HG12 ILE 74 -6.844 7.875 1.045 547 HG13 ILE 74 HG13 ILE 74 -7.898 7.753 2.450 548 HG21 ILE 74 HG21 ILE 74 -4.238 7.948 1.427 549 HG22 ILE 74 HG22 ILE 74 -3.622 7.932 3.080 550 HG23 ILE 74 HG23 ILE 74 -4.477 9.349 2.476 551 HD11 ILE 74 HD11 ILE 74 -7.305 10.055 3.077 552 HD12 ILE 74 HD12 ILE 74 -8.016 9.958 1.469 553 HD13 ILE 74 HD13 ILE 74 -6.276 10.172 1.647 554 H PHE 75 H PHE 75 -3.502 5.007 2.294 555 HA PHE 75 HA PHE 75 -2.560 4.531 5.061 556 HB2 PHE 75 HB2 PHE 75 -1.806 3.253 2.401 557 HB3 PHE 75 HB3 PHE 75 -0.808 3.054 3.834 558 HD1 PHE 75 HD2 PHE 75 -4.541 2.948 3.303 559 HD2 PHE 75 HD1 PHE 75 -1.040 0.867 4.602 560 HE1 PHE 75 HE2 PHE 75 -5.929 1.060 4.034 561 HE2 PHE 75 HE1 PHE 75 -2.442 -1.017 5.327 562 HZ PHE 75 HZ PHE 75 -4.882 -0.917 5.045 563 H LEU 76 H LEU 76 -1.546 6.388 5.695 564 HA LEU 76 HA LEU 76 0.210 7.898 3.940 565 HB2 LEU 76 HB2 LEU 76 -0.181 8.132 6.955 566 HB3 LEU 76 HB3 LEU 76 0.634 9.298 5.925 567 HG LEU 76 HG LEU 76 -2.335 8.636 5.872 568 HD11 LEU 76 HD11 LEU 76 -1.682 9.917 7.854 569 HD12 LEU 76 HD12 LEU 76 -2.678 10.883 6.769 570 HD13 LEU 76 HD13 LEU 76 -0.932 11.145 6.832 571 HD21 LEU 76 HD21 LEU 76 -0.824 10.689 4.221 572 HD22 LEU 76 HD22 LEU 76 -2.579 10.493 4.276 573 HD23 LEU 76 HD23 LEU 76 -1.572 9.207 3.620 574 H VAL 77 H VAL 77 1.866 6.533 3.329 575 HA VAL 77 HA VAL 77 3.344 4.959 5.313 576 HB VAL 77 HB VAL 77 3.574 5.050 2.275 577 HG11 VAL 77 HG11 VAL 77 5.752 4.407 3.228 578 HG12 VAL 77 HG12 VAL 77 4.991 3.018 2.454 579 HG13 VAL 77 HG13 VAL 77 4.979 3.161 4.213 580 HG21 VAL 77 HG21 VAL 77 2.464 2.837 2.343 581 HG22 VAL 77 HG22 VAL 77 1.447 4.088 3.062 582 HG23 VAL 77 HG23 VAL 77 2.322 2.958 4.100 583 H SER 78 H SER 78 5.227 5.586 6.176 584 HA SER 78 HA SER 78 6.753 7.833 4.960 585 HB2 SER 78 HB2 SER 78 7.762 8.114 7.226 586 HB3 SER 78 HB3 SER 78 6.008 8.268 7.270 587 HG SER 78 HG SER 78 7.603 6.083 8.119 588 H VAL 79 H VAL 79 8.344 7.030 3.661 589 HA VAL 79 HA VAL 79 9.785 4.558 4.387 590 HB VAL 79 HB VAL 79 10.023 6.133 1.780 591 HG11 VAL 79 HG11 VAL 79 11.917 4.635 2.245 592 HG12 VAL 79 HG12 VAL 79 10.972 4.030 0.886 593 HG13 VAL 79 HG13 VAL 79 10.814 3.274 2.475 594 HG21 VAL 79 HG21 VAL 79 8.477 4.491 0.751 595 HG22 VAL 79 HG22 VAL 79 7.680 5.406 2.030 596 HG23 VAL 79 HG23 VAL 79 8.201 3.750 2.331 597 H GLU 80 H GLU 80 11.518 4.944 5.684 598 HA GLU 80 HA GLU 80 13.583 6.835 5.107 599 HB2 GLU 80 HB2 GLU 80 13.241 8.373 7.019 600 HB3 GLU 80 HB3 GLU 80 11.915 8.469 5.863 601 HG2 GLU 80 HG2 GLU 80 10.562 6.984 7.375 602 HG3 GLU 80 HG3 GLU 80 11.879 7.038 8.547 603 H GLU 81 H GLU 81 15.027 7.159 7.126 604 HA GLU 81 HA GLU 81 16.615 6.242 8.418 605 HB2 GLU 81 HB2 GLU 81 14.796 6.206 10.107 606 HB3 GLU 81 HB3 GLU 81 14.331 4.594 9.577 607 HG2 GLU 81 HG2 GLU 81 16.467 3.683 10.352 608 HG3 GLU 81 HG3 GLU 81 17.022 5.297 10.792 609 HA PRO 82 HA PRO 82 17.129 2.682 5.531 610 HB2 PRO 82 HB2 PRO 82 19.569 3.306 4.547 611 HB3 PRO 82 HB3 PRO 82 18.120 4.181 4.068 612 HG2 PRO 82 HG2 PRO 82 20.236 4.974 6.054 613 HG3 PRO 82 HG3 PRO 82 19.428 5.968 4.823 614 HD2 PRO 82 HD2 PRO 82 18.712 5.916 7.504 615 HD3 PRO 82 HD3 PRO 82 17.617 6.390 6.190 Start of MODEL 6 1 H MET 1 H1 MET 1 -5.799 7.392 11.198 2 HA MET 1 HA MET 1 -6.958 5.942 8.891 3 HB2 MET 1 HB2 MET 1 -6.736 8.485 8.718 4 HB3 MET 1 HB3 MET 1 -4.996 8.274 8.871 5 HG2 MET 1 HG2 MET 1 -5.686 8.538 6.528 6 HG3 MET 1 HG3 MET 1 -4.957 6.957 6.818 7 HE1 MET 1 HE1 MET 1 -8.648 8.265 7.627 8 HE2 MET 1 HE2 MET 1 -9.491 7.675 6.195 9 HE3 MET 1 HE3 MET 1 -8.264 8.930 6.037 10 H THR 2 H THR 2 -5.505 4.516 7.813 11 HA THR 2 HA THR 2 -3.494 3.237 9.355 12 HB THR 2 HB THR 2 -2.890 2.289 6.877 13 HG1 THR 2 HG1 THR 2 -4.114 3.443 5.565 14 HG21 THR 2 HG21 THR 2 -4.635 0.565 7.096 15 HG22 THR 2 HG22 THR 2 -5.418 1.519 8.361 16 HG23 THR 2 HG23 THR 2 -3.798 0.862 8.624 17 H ARG 3 H ARG 3 -1.364 3.673 9.619 18 HA ARG 3 HA ARG 3 0.119 5.365 7.690 19 HB2 ARG 3 HB2 ARG 3 0.103 5.778 10.717 20 HB3 ARG 3 HB3 ARG 3 1.156 6.621 9.579 21 HG2 ARG 3 HG2 ARG 3 -0.861 7.644 8.521 22 HG3 ARG 3 HG3 ARG 3 -1.874 6.841 9.727 23 HD2 ARG 3 HD2 ARG 3 0.298 8.884 10.305 24 HD3 ARG 3 HD3 ARG 3 -1.440 9.199 10.314 25 HE ARG 3 HE ARG 3 -1.156 7.175 12.108 26 HH11 ARG 3 HH11 ARG 3 0.437 10.243 11.845 27 HH12 ARG 3 HH12 ARG 3 0.585 10.414 13.559 28 HH21 ARG 3 HH21 ARG 3 -0.927 7.433 14.285 29 HH22 ARG 3 HH22 ARG 3 -0.159 8.849 14.913 30 H VAL 4 H VAL 4 2.090 4.502 7.227 31 HA VAL 4 HA VAL 4 3.236 2.426 9.013 32 HB VAL 4 HB VAL 4 2.775 2.216 6.007 33 HG11 VAL 4 HG11 VAL 4 4.066 0.076 6.034 34 HG12 VAL 4 HG12 VAL 4 4.570 0.413 7.691 35 HG13 VAL 4 HG13 VAL 4 5.095 1.472 6.379 36 HG21 VAL 4 HG21 VAL 4 0.891 1.472 7.420 37 HG22 VAL 4 HG22 VAL 4 1.966 0.383 8.302 38 HG23 VAL 4 HG23 VAL 4 1.631 0.094 6.595 39 H ARG 5 H ARG 5 5.289 2.659 9.464 40 HA ARG 5 HA ARG 5 7.047 4.581 8.132 41 HB2 ARG 5 HB2 ARG 5 6.936 4.490 10.603 42 HB3 ARG 5 HB3 ARG 5 7.427 2.801 10.586 43 HG2 ARG 5 HG2 ARG 5 9.650 3.445 9.713 44 HG3 ARG 5 HG3 ARG 5 9.141 5.137 9.659 45 HD2 ARG 5 HD2 ARG 5 8.782 5.068 12.138 46 HD3 ARG 5 HD3 ARG 5 9.412 3.420 12.153 47 HE ARG 5 HE ARG 5 11.548 4.249 11.982 48 HH11 ARG 5 HH11 ARG 5 9.390 6.832 11.145 49 HH12 ARG 5 HH12 ARG 5 10.613 8.037 11.300 50 HH21 ARG 5 HH21 ARG 5 13.069 5.813 12.196 51 HH22 ARG 5 HH22 ARG 5 12.667 7.471 11.906 52 H SER 6 H SER 6 8.843 3.985 6.897 53 HA SER 6 HA SER 6 9.588 1.126 6.641 54 HB2 SER 6 HB2 SER 6 8.020 1.656 4.771 55 HB3 SER 6 HB3 SER 6 9.067 2.978 4.264 56 HG SER 6 HG SER 6 9.214 0.666 3.316 57 H THR 7 H THR 7 11.667 0.941 5.294 58 HA THR 7 HA THR 7 13.501 3.240 5.647 59 HB THR 7 HB THR 7 15.360 1.473 6.124 60 HG1 THR 7 HG1 THR 7 14.549 -0.408 7.213 61 HG21 THR 7 HG21 THR 7 14.916 1.480 8.542 62 HG22 THR 7 HG22 THR 7 13.266 2.031 8.241 63 HG23 THR 7 HG23 THR 7 14.640 3.064 7.806 64 HA PRO 8 HA PRO 8 14.625 2.434 1.414 65 HB2 PRO 8 HB2 PRO 8 16.994 3.736 1.232 66 HB3 PRO 8 HB3 PRO 8 15.480 4.606 1.528 67 HG2 PRO 8 HG2 PRO 8 17.543 3.715 3.541 68 HG3 PRO 8 HG3 PRO 8 16.823 5.328 3.331 69 HD2 PRO 8 HD2 PRO 8 15.878 3.587 5.183 70 HD3 PRO 8 HD3 PRO 8 14.791 4.694 4.312 71 H GLY 9 H GLY 9 15.771 0.977 0.161 72 HA2 GLY 9 HA2 GLY 9 17.359 -0.617 -0.445 73 HA3 GLY 9 HA3 GLY 9 18.122 -0.458 1.128 74 H GLY 10 H GLY 10 14.699 -1.201 0.485 75 HA2 GLY 10 HA2 GLY 10 14.993 -4.061 0.945 76 HA3 GLY 10 HA3 GLY 10 14.245 -3.198 2.284 77 H ASP 11 H ASP 11 12.121 -3.837 2.180 78 HA ASP 11 HA ASP 11 10.597 -3.117 -0.245 79 HB2 ASP 11 HB2 ASP 11 9.336 -5.183 -0.228 80 HB3 ASP 11 HB3 ASP 11 11.046 -5.604 -0.251 81 H LEU 12 H LEU 12 8.397 -2.639 0.115 82 HA LEU 12 HA LEU 12 7.581 -1.910 2.860 83 HB2 LEU 12 HB2 LEU 12 7.548 -0.127 1.118 84 HB3 LEU 12 HB3 LEU 12 6.471 -1.101 0.133 85 HG LEU 12 HG LEU 12 4.708 -0.900 1.911 86 HD11 LEU 12 HD11 LEU 12 4.949 0.763 3.705 87 HD12 LEU 12 HD12 LEU 12 6.636 1.018 3.254 88 HD13 LEU 12 HD13 LEU 12 6.114 -0.551 3.874 89 HD21 LEU 12 HD21 LEU 12 4.688 0.626 -0.018 90 HD22 LEU 12 HD22 LEU 12 5.724 1.761 0.853 91 HD23 LEU 12 HD23 LEU 12 4.090 1.430 1.435 92 H GLU 13 H GLU 13 5.667 -2.827 3.763 93 HA GLU 13 HA GLU 13 3.995 -4.593 2.089 94 HB2 GLU 13 HB2 GLU 13 5.654 -6.090 3.176 95 HB3 GLU 13 HB3 GLU 13 5.184 -5.478 4.761 96 HG2 GLU 13 HG2 GLU 13 2.921 -6.396 4.473 97 HG3 GLU 13 HG3 GLU 13 3.344 -6.966 2.861 98 H LEU 14 H LEU 14 2.221 -3.308 2.192 99 HA LEU 14 HA LEU 14 1.108 -2.327 4.709 100 HB2 LEU 14 HB2 LEU 14 0.022 -2.055 1.877 101 HB3 LEU 14 HB3 LEU 14 -0.506 -1.160 3.298 102 HG LEU 14 HG LEU 14 2.152 -0.886 1.845 103 HD11 LEU 14 HD11 LEU 14 1.392 1.385 1.357 104 HD12 LEU 14 HD12 LEU 14 -0.127 1.080 2.205 105 HD13 LEU 14 HD13 LEU 14 0.257 0.187 0.732 106 HD21 LEU 14 HD21 LEU 14 1.263 0.492 4.398 107 HD22 LEU 14 HD22 LEU 14 2.696 0.911 3.453 108 HD23 LEU 14 HD23 LEU 14 2.585 -0.665 4.228 109 H VAL 15 H VAL 15 0.127 -3.999 5.824 110 HA VAL 15 HA VAL 15 -1.851 -5.701 4.420 111 HB VAL 15 HB VAL 15 -0.849 -6.011 7.291 112 HG11 VAL 15 HG11 VAL 15 -2.404 -7.943 5.512 113 HG12 VAL 15 HG12 VAL 15 -3.054 -7.060 6.897 114 HG13 VAL 15 HG13 VAL 15 -1.820 -8.297 7.141 115 HG21 VAL 15 HG21 VAL 15 0.596 -7.854 6.464 116 HG22 VAL 15 HG22 VAL 15 1.053 -6.308 5.745 117 HG23 VAL 15 HG23 VAL 15 0.126 -7.480 4.803 118 H VAL 16 H VAL 16 -3.974 -5.210 4.619 119 HA VAL 16 HA VAL 16 -4.913 -3.471 6.836 120 HB VAL 16 HB VAL 16 -7.037 -3.200 5.386 121 HG11 VAL 16 HG11 VAL 16 -5.427 -1.386 5.675 122 HG12 VAL 16 HG12 VAL 16 -6.080 -1.395 4.035 123 HG13 VAL 16 HG13 VAL 16 -4.454 -2.014 4.341 124 HG21 VAL 16 HG21 VAL 16 -6.625 -5.062 3.823 125 HG22 VAL 16 HG22 VAL 16 -5.187 -4.241 3.210 126 HG23 VAL 16 HG23 VAL 16 -6.785 -3.531 2.961 127 H HIS 17 H HIS 17 -6.616 -4.040 8.096 128 HA HIS 17 HA HIS 17 -8.216 -6.437 7.416 129 HB2 HIS 17 HB2 HIS 17 -7.304 -5.551 10.198 130 HB3 HIS 17 HB3 HIS 17 -8.549 -6.771 9.917 131 HD1 HIS 17 HD1 HIS 17 -4.899 -6.336 10.097 132 HD2 HIS 17 HD2 HIS 17 -7.548 -9.178 8.641 133 HE1 HIS 17 HE1 HIS 17 -3.523 -8.390 9.705 134 HE2 HIS 17 HE2 HIS 17 -5.193 -10.150 9.064 135 H LEU 18 H LEU 18 -8.503 -3.566 6.744 136 HA LEU 18 HA LEU 18 -10.542 -2.240 8.048 137 HB2 LEU 18 HB2 LEU 18 -11.155 -1.319 5.715 138 HB3 LEU 18 HB3 LEU 18 -9.528 -1.064 6.307 139 HG LEU 18 HG LEU 18 -8.734 -2.944 4.834 140 HD11 LEU 18 HD11 LEU 18 -11.508 -2.908 3.629 141 HD12 LEU 18 HD12 LEU 18 -10.766 -4.237 4.524 142 HD13 LEU 18 HD13 LEU 18 -10.098 -3.748 2.968 143 HD21 LEU 18 HD21 LEU 18 -8.492 -0.612 4.137 144 HD22 LEU 18 HD22 LEU 18 -10.081 -0.660 3.367 145 HD23 LEU 18 HD23 LEU 18 -8.767 -1.665 2.749 146 H SER 19 H SER 19 -12.843 -1.862 7.178 147 HA SER 19 HA SER 19 -14.261 -4.397 7.570 148 HB2 SER 19 HB2 SER 19 -15.266 -1.521 7.573 149 HB3 SER 19 HB3 SER 19 -16.238 -2.933 8.001 150 HG SER 19 HG SER 19 -15.008 -1.599 9.701 151 H GLY 20 H GLY 20 -13.096 -3.952 4.896 152 HA2 GLY 20 HA2 GLY 20 -15.531 -3.835 3.180 153 HA3 GLY 20 HA3 GLY 20 -13.908 -3.450 2.645 154 HA PRO 21 HA PRO 21 -14.229 -8.323 2.877 155 HB2 PRO 21 HB2 PRO 21 -16.676 -9.465 2.959 156 HB3 PRO 21 HB3 PRO 21 -15.914 -8.839 4.433 157 HG2 PRO 21 HG2 PRO 21 -17.999 -7.528 2.676 158 HG3 PRO 21 HG3 PRO 21 -17.973 -7.671 4.447 159 HD2 PRO 21 HD2 PRO 21 -17.144 -5.409 3.117 160 HD3 PRO 21 HD3 PRO 21 -16.487 -5.895 4.693 161 H GLY 22 H GLY 22 -14.632 -9.956 1.202 162 HA2 GLY 22 HA2 GLY 22 -15.019 -10.771 -0.901 163 HA3 GLY 22 HA3 GLY 22 -16.316 -9.601 -1.066 164 H GLY 23 H GLY 23 -15.822 -7.507 -1.921 165 HA2 GLY 23 HA2 GLY 23 -14.531 -5.850 -2.924 166 HA3 GLY 23 HA3 GLY 23 -13.151 -6.927 -2.941 167 HA PRO 24 HA PRO 24 -11.784 -8.026 -4.334 168 HB2 PRO 24 HB2 PRO 24 -10.277 -7.333 -6.527 169 HB3 PRO 24 HB3 PRO 24 -11.125 -8.880 -6.390 170 HG2 PRO 24 HG2 PRO 24 -12.004 -6.362 -7.815 171 HG3 PRO 24 HG3 PRO 24 -12.035 -8.039 -8.403 172 HD2 PRO 24 HD2 PRO 24 -14.261 -6.850 -7.424 173 HD3 PRO 24 HD3 PRO 24 -13.947 -8.582 -7.155 174 H VAL 25 H VAL 25 -11.042 -6.636 -2.859 175 HA VAL 25 HA VAL 25 -11.234 -3.806 -2.956 176 HB VAL 25 HB VAL 25 -9.500 -5.543 -1.148 177 HG11 VAL 25 HG11 VAL 25 -10.304 -2.636 -0.781 178 HG12 VAL 25 HG12 VAL 25 -8.679 -3.247 -1.085 179 HG13 VAL 25 HG13 VAL 25 -9.490 -3.621 0.437 180 HG21 VAL 25 HG21 VAL 25 -12.296 -4.461 -0.630 181 HG22 VAL 25 HG22 VAL 25 -11.316 -5.377 0.518 182 HG23 VAL 25 HG23 VAL 25 -11.883 -6.145 -0.966 183 H ARG 26 H ARG 26 -9.889 -2.337 -3.844 184 HA ARG 26 HA ARG 26 -7.571 -3.291 -5.376 185 HB2 ARG 26 HB2 ARG 26 -9.194 -0.707 -5.524 186 HB3 ARG 26 HB3 ARG 26 -7.842 -1.096 -6.589 187 HG2 ARG 26 HG2 ARG 26 -9.086 -3.031 -7.480 188 HG3 ARG 26 HG3 ARG 26 -10.434 -2.681 -6.393 189 HD2 ARG 26 HD2 ARG 26 -9.417 -0.786 -8.543 190 HD3 ARG 26 HD3 ARG 26 -10.781 -1.889 -8.748 191 HE ARG 26 HE ARG 26 -11.284 -0.319 -6.479 192 HH11 ARG 26 HH11 ARG 26 -10.931 0.226 -9.883 193 HH12 ARG 26 HH12 ARG 26 -12.080 1.514 -9.887 194 HH21 ARG 26 HH21 ARG 26 -12.740 1.336 -6.544 195 HH22 ARG 26 HH22 ARG 26 -13.077 2.134 -8.040 196 H TRP 27 H TRP 27 -5.714 -1.843 -5.571 197 HA TRP 27 HA TRP 27 -5.065 -0.293 -3.129 198 HB2 TRP 27 HB2 TRP 27 -3.370 -2.234 -4.746 199 HB3 TRP 27 HB3 TRP 27 -2.610 -0.973 -3.779 200 HD1 TRP 27 HD1 TRP 27 -4.254 -4.376 -3.412 201 HE1 TRP 27 HE1 TRP 27 -4.105 -5.084 -0.949 202 HE3 TRP 27 HE3 TRP 27 -2.777 0.078 -1.399 203 HZ2 TRP 27 HZ2 TRP 27 -3.460 -3.887 1.545 204 HZ3 TRP 27 HZ3 TRP 27 -2.435 0.222 1.044 205 HH2 TRP 27 HH2 TRP 27 -2.778 -1.730 2.481 206 H TYR 28 H TYR 28 -4.352 1.725 -3.438 207 HA TYR 28 HA TYR 28 -3.669 2.687 -6.164 208 HB2 TYR 28 HB2 TYR 28 -5.287 4.050 -3.977 209 HB3 TYR 28 HB3 TYR 28 -4.561 4.963 -5.291 210 HD1 TYR 28 HD2 TYR 28 -6.830 1.969 -4.805 211 HD2 TYR 28 HD1 TYR 28 -5.896 5.419 -7.152 212 HE1 TYR 28 HE2 TYR 28 -8.805 1.555 -6.211 213 HE2 TYR 28 HE1 TYR 28 -7.871 5.004 -8.546 214 HH TYR 28 HH TYR 28 -10.333 2.921 -7.670 215 H LYS 29 H LYS 29 -2.227 4.460 -6.252 216 HA LYS 29 HA LYS 29 -0.916 5.481 -3.855 217 HB2 LYS 29 HB2 LYS 29 0.583 3.653 -4.280 218 HB3 LYS 29 HB3 LYS 29 0.609 3.957 -6.001 219 HG2 LYS 29 HG2 LYS 29 2.721 4.652 -5.015 220 HG3 LYS 29 HG3 LYS 29 1.866 6.049 -5.630 221 HD2 LYS 29 HD2 LYS 29 1.330 6.846 -3.461 222 HD3 LYS 29 HD3 LYS 29 1.671 5.291 -2.699 223 HE2 LYS 29 HE2 LYS 29 3.415 7.038 -2.257 224 HE3 LYS 29 HE3 LYS 29 4.054 5.583 -3.004 225 HZ1 LYS 29 HZ1 LYS 29 5.000 7.542 -3.998 226 HZ2 LYS 29 HZ2 LYS 29 3.465 8.138 -4.384 227 HZ3 LYS 29 HZ3 LYS 29 4.037 6.740 -5.132 228 H ASP 30 H ASP 30 -0.607 7.617 -4.099 229 HA ASP 30 HA ASP 30 -0.577 9.724 -4.936 230 HB2 ASP 30 HB2 ASP 30 0.396 8.437 -7.520 231 HB3 ASP 30 HB3 ASP 30 0.500 10.138 -7.125 232 H GLY 31 H GLY 31 -2.976 7.879 -5.355 233 HA2 GLY 31 HA2 GLY 31 -5.153 8.301 -6.098 234 HA3 GLY 31 HA3 GLY 31 -4.553 9.545 -7.178 235 H GLU 32 H GLU 32 -2.544 7.040 -7.802 236 HA GLU 32 HA GLU 32 -4.202 5.997 -10.035 237 HB2 GLU 32 HB2 GLU 32 -2.249 7.262 -10.795 238 HB3 GLU 32 HB3 GLU 32 -1.177 6.291 -9.786 239 HG2 GLU 32 HG2 GLU 32 -1.621 4.308 -11.142 240 HG3 GLU 32 HG3 GLU 32 -2.824 5.185 -12.089 241 H ARG 33 H ARG 33 -4.777 3.902 -9.904 242 HA ARG 33 HA ARG 33 -4.054 2.298 -7.692 243 HB2 ARG 33 HB2 ARG 33 -5.561 0.629 -8.481 244 HB3 ARG 33 HB3 ARG 33 -6.281 2.179 -8.887 245 HG2 ARG 33 HG2 ARG 33 -4.721 0.518 -10.856 246 HG3 ARG 33 HG3 ARG 33 -6.464 0.346 -10.639 247 HD2 ARG 33 HD2 ARG 33 -6.724 2.744 -11.289 248 HD3 ARG 33 HD3 ARG 33 -4.979 2.829 -11.573 249 HE ARG 33 HE ARG 33 -5.969 0.698 -13.073 250 HH11 ARG 33 HH11 ARG 33 -6.316 4.149 -13.072 251 HH12 ARG 33 HH12 ARG 33 -6.643 4.212 -14.766 252 HH21 ARG 33 HH21 ARG 33 -6.405 0.811 -15.215 253 HH22 ARG 33 HH22 ARG 33 -6.687 2.341 -15.966 254 H LEU 34 H LEU 34 -2.857 0.460 -7.490 255 HA LEU 34 HA LEU 34 -0.616 0.055 -9.299 256 HB2 LEU 34 HB2 LEU 34 -1.220 -1.309 -6.641 257 HB3 LEU 34 HB3 LEU 34 0.312 -1.332 -7.508 258 HG LEU 34 HG LEU 34 -0.947 1.004 -6.008 259 HD11 LEU 34 HD11 LEU 34 1.148 0.991 -4.734 260 HD12 LEU 34 HD12 LEU 34 1.691 -0.425 -5.643 261 HD13 LEU 34 HD13 LEU 34 0.266 -0.530 -4.605 262 HD21 LEU 34 HD21 LEU 34 0.964 2.400 -6.765 263 HD22 LEU 34 HD22 LEU 34 -0.064 1.918 -8.108 264 HD23 LEU 34 HD23 LEU 34 1.481 1.105 -7.848 265 H ALA 35 H ALA 35 -0.061 -1.989 -10.190 266 HA ALA 35 HA ALA 35 -2.233 -4.005 -10.443 267 HB1 ALA 35 HB1 ALA 35 -1.675 -2.896 -12.581 268 HB2 ALA 35 HB2 ALA 35 -1.244 -4.606 -12.626 269 HB3 ALA 35 HB3 ALA 35 0.013 -3.384 -12.408 270 H SER 36 H SER 36 -1.524 -6.269 -10.595 271 HA SER 36 HA SER 36 0.440 -6.980 -8.627 272 HB2 SER 36 HB2 SER 36 -0.140 -9.356 -9.280 273 HB3 SER 36 HB3 SER 36 -1.535 -8.374 -8.840 274 HG SER 36 HG SER 36 -0.678 -9.083 -11.454 275 H GLN 37 H GLN 37 2.316 -6.026 -9.428 276 HA GLN 37 HA GLN 37 3.638 -7.040 -11.864 277 HB2 GLN 37 HB2 GLN 37 3.439 -4.550 -11.306 278 HB3 GLN 37 HB3 GLN 37 4.497 -4.833 -9.930 279 HG2 GLN 37 HG2 GLN 37 6.271 -5.597 -11.558 280 HG3 GLN 37 HG3 GLN 37 5.204 -5.099 -12.873 281 HE21 GLN 37 HE21 GLN 37 4.790 -2.851 -13.135 282 HE22 GLN 37 HE22 GLN 37 5.842 -1.662 -12.463 283 H GLY 38 H GLY 38 6.085 -7.514 -11.614 284 HA2 GLY 38 HA2 GLY 38 6.761 -9.505 -9.772 285 HA3 GLY 38 HA3 GLY 38 7.915 -8.538 -10.673 286 H ARG 39 H ARG 39 7.568 -6.014 -9.627 287 HA ARG 39 HA ARG 39 8.663 -6.063 -6.975 288 HB2 ARG 39 HB2 ARG 39 7.530 -3.768 -8.631 289 HB3 ARG 39 HB3 ARG 39 8.264 -3.547 -7.045 290 HG2 ARG 39 HG2 ARG 39 10.416 -4.376 -7.902 291 HG3 ARG 39 HG3 ARG 39 9.697 -4.640 -9.495 292 HD2 ARG 39 HD2 ARG 39 9.268 -2.237 -9.731 293 HD3 ARG 39 HD3 ARG 39 9.873 -1.940 -8.098 294 HE ARG 39 HE ARG 39 11.931 -3.172 -9.514 295 HH11 ARG 39 HH11 ARG 39 10.154 -0.210 -9.829 296 HH12 ARG 39 HH12 ARG 39 11.520 0.654 -10.433 297 HH21 ARG 39 HH21 ARG 39 13.651 -2.020 -10.297 298 HH22 ARG 39 HH22 ARG 39 13.458 -0.346 -10.680 299 H VAL 40 H VAL 40 5.479 -5.087 -8.278 300 HA VAL 40 HA VAL 40 4.390 -4.534 -5.624 301 HB VAL 40 HB VAL 40 3.119 -4.185 -8.378 302 HG11 VAL 40 HG11 VAL 40 1.411 -4.341 -6.606 303 HG12 VAL 40 HG12 VAL 40 1.490 -2.702 -7.251 304 HG13 VAL 40 HG13 VAL 40 2.227 -3.071 -5.692 305 HG21 VAL 40 HG21 VAL 40 4.501 -2.112 -6.623 306 HG22 VAL 40 HG22 VAL 40 3.681 -1.784 -8.152 307 HG23 VAL 40 HG23 VAL 40 5.137 -2.782 -8.130 308 H GLN 41 H GLN 41 4.170 -6.619 -4.718 309 HA GLN 41 HA GLN 41 2.508 -8.683 -5.920 310 HB2 GLN 41 HB2 GLN 41 3.622 -8.474 -3.090 311 HB3 GLN 41 HB3 GLN 41 2.923 -9.918 -3.823 312 HG2 GLN 41 HG2 GLN 41 4.768 -10.074 -5.395 313 HG3 GLN 41 HG3 GLN 41 5.431 -8.535 -4.836 314 HE21 GLN 41 HE21 GLN 41 6.481 -8.464 -2.816 315 HE22 GLN 41 HE22 GLN 41 7.009 -9.893 -2.011 316 H LEU 42 H LEU 42 0.316 -8.500 -5.918 317 HA LEU 42 HA LEU 42 -1.056 -7.058 -3.721 318 HB2 LEU 42 HB2 LEU 42 -1.906 -7.493 -6.605 319 HB3 LEU 42 HB3 LEU 42 -2.974 -6.847 -5.366 320 HG LEU 42 HG LEU 42 -0.495 -5.536 -6.541 321 HD11 LEU 42 HD11 LEU 42 -3.394 -4.639 -6.417 322 HD12 LEU 42 HD12 LEU 42 -2.558 -5.276 -7.839 323 HD13 LEU 42 HD13 LEU 42 -2.055 -3.739 -7.141 324 HD21 LEU 42 HD21 LEU 42 -0.851 -3.668 -4.954 325 HD22 LEU 42 HD22 LEU 42 -0.398 -5.157 -4.133 326 HD23 LEU 42 HD23 LEU 42 -2.079 -4.621 -4.114 327 H GLU 43 H GLU 43 -1.567 -8.584 -2.260 328 HA GLU 43 HA GLU 43 -2.892 -11.084 -2.960 329 HB2 GLU 43 HB2 GLU 43 -2.052 -9.822 -0.318 330 HB3 GLU 43 HB3 GLU 43 -3.021 -11.286 -0.360 331 HG2 GLU 43 HG2 GLU 43 -0.720 -11.896 -0.015 332 HG3 GLU 43 HG3 GLU 43 -1.195 -12.426 -1.626 333 H GLN 44 H GLN 44 -4.894 -10.552 -3.849 334 HA GLN 44 HA GLN 44 -6.859 -9.138 -2.158 335 HB2 GLN 44 HB2 GLN 44 -6.898 -9.943 -5.084 336 HB3 GLN 44 HB3 GLN 44 -8.390 -9.549 -4.248 337 HG2 GLN 44 HG2 GLN 44 -7.704 -7.596 -5.424 338 HG3 GLN 44 HG3 GLN 44 -7.437 -7.295 -3.709 339 HE21 GLN 44 HE21 GLN 44 -5.924 -5.675 -4.098 340 HE22 GLN 44 HE22 GLN 44 -4.351 -6.000 -4.726 341 H ALA 45 H ALA 45 -8.370 -10.170 -1.041 342 HA ALA 45 HA ALA 45 -9.442 -12.776 -1.810 343 HB1 ALA 45 HB1 ALA 45 -9.046 -13.809 0.396 344 HB2 ALA 45 HB2 ALA 45 -8.164 -12.374 0.934 345 HB3 ALA 45 HB3 ALA 45 -7.518 -13.374 -0.370 346 H GLY 46 H GLY 46 -9.410 -10.261 0.724 347 HA2 GLY 46 HA2 GLY 46 -11.708 -8.983 0.594 348 HA3 GLY 46 HA3 GLY 46 -12.313 -10.520 1.210 349 H ALA 47 H ALA 47 -11.559 -7.537 2.218 350 HA ALA 47 HA ALA 47 -11.066 -6.477 4.136 351 HB1 ALA 47 HB1 ALA 47 -12.546 -8.098 5.256 352 HB2 ALA 47 HB2 ALA 47 -11.219 -7.595 6.306 353 HB3 ALA 47 HB3 ALA 47 -11.172 -9.175 5.519 354 H ARG 48 H ARG 48 -9.155 -9.537 4.519 355 HA ARG 48 HA ARG 48 -6.746 -8.077 5.164 356 HB2 ARG 48 HB2 ARG 48 -7.247 -10.317 6.173 357 HB3 ARG 48 HB3 ARG 48 -7.040 -11.051 4.587 358 HG2 ARG 48 HG2 ARG 48 -4.676 -10.300 4.527 359 HG3 ARG 48 HG3 ARG 48 -4.880 -9.537 6.111 360 HD2 ARG 48 HD2 ARG 48 -3.747 -11.675 6.367 361 HD3 ARG 48 HD3 ARG 48 -5.353 -11.768 7.100 362 HE ARG 48 HE ARG 48 -5.561 -12.662 4.465 363 HH11 ARG 48 HH11 ARG 48 -4.006 -13.739 7.356 364 HH12 ARG 48 HH12 ARG 48 -4.152 -15.403 6.920 365 HH21 ARG 48 HH21 ARG 48 -5.687 -14.768 3.929 366 HH22 ARG 48 HH22 ARG 48 -5.093 -15.976 5.008 367 H GLN 49 H GLN 49 -6.154 -6.837 3.442 368 HA GLN 49 HA GLN 49 -5.336 -8.190 0.919 369 HB2 GLN 49 HB2 GLN 49 -5.867 -5.207 1.253 370 HB3 GLN 49 HB3 GLN 49 -5.663 -6.103 -0.251 371 HG2 GLN 49 HG2 GLN 49 -7.990 -6.448 1.662 372 HG3 GLN 49 HG3 GLN 49 -8.008 -5.404 0.246 373 HE21 GLN 49 HE21 GLN 49 -7.939 -6.360 -1.825 374 HE22 GLN 49 HE22 GLN 49 -8.441 -7.990 -2.066 375 H VAL 50 H VAL 50 -3.184 -7.998 0.310 376 HA VAL 50 HA VAL 50 -1.425 -6.296 2.001 377 HB VAL 50 HB VAL 50 -0.614 -8.971 0.781 378 HG11 VAL 50 HG11 VAL 50 1.400 -8.741 2.199 379 HG12 VAL 50 HG12 VAL 50 0.828 -7.172 2.767 380 HG13 VAL 50 HG13 VAL 50 1.257 -7.394 1.069 381 HG21 VAL 50 HG21 VAL 50 -2.270 -9.382 2.563 382 HG22 VAL 50 HG22 VAL 50 -1.335 -8.384 3.681 383 HG23 VAL 50 HG23 VAL 50 -0.660 -9.899 3.079 384 H LEU 51 H LEU 51 -0.487 -4.734 0.895 385 HA LEU 51 HA LEU 51 0.332 -5.056 -1.927 386 HB2 LEU 51 HB2 LEU 51 -0.982 -3.083 -1.558 387 HB3 LEU 51 HB3 LEU 51 -0.085 -2.638 -0.132 388 HG LEU 51 HG LEU 51 0.198 -1.244 -2.346 389 HD11 LEU 51 HD11 LEU 51 2.478 -0.618 -1.783 390 HD12 LEU 51 HD12 LEU 51 2.675 -2.082 -0.814 391 HD13 LEU 51 HD13 LEU 51 1.514 -0.850 -0.327 392 HD21 LEU 51 HD21 LEU 51 2.126 -3.502 -2.972 393 HD22 LEU 51 HD22 LEU 51 1.986 -1.970 -3.840 394 HD23 LEU 51 HD23 LEU 51 0.649 -3.110 -3.854 395 H ARG 52 H ARG 52 2.387 -5.700 -2.226 396 HA ARG 52 HA ARG 52 4.479 -4.924 -0.260 397 HB2 ARG 52 HB2 ARG 52 4.403 -7.418 -2.015 398 HB3 ARG 52 HB3 ARG 52 5.667 -7.003 -0.858 399 HG2 ARG 52 HG2 ARG 52 4.071 -7.224 0.994 400 HG3 ARG 52 HG3 ARG 52 2.771 -7.573 -0.150 401 HD2 ARG 52 HD2 ARG 52 3.527 -9.642 0.837 402 HD3 ARG 52 HD3 ARG 52 4.004 -9.620 -0.863 403 HE ARG 52 HE ARG 52 6.153 -8.630 0.601 404 HH11 ARG 52 HH11 ARG 52 4.478 -11.637 0.297 405 HH12 ARG 52 HH12 ARG 52 5.853 -12.563 0.777 406 HH21 ARG 52 HH21 ARG 52 7.887 -9.838 1.202 407 HH22 ARG 52 HH22 ARG 52 7.748 -11.554 1.281 408 H VAL 53 H VAL 53 5.518 -3.191 -1.193 409 HA VAL 53 HA VAL 53 6.226 -3.257 -4.062 410 HB VAL 53 HB VAL 53 6.555 -0.996 -2.027 411 HG11 VAL 53 HG11 VAL 53 7.107 -0.960 -5.030 412 HG12 VAL 53 HG12 VAL 53 8.316 -0.837 -3.750 413 HG13 VAL 53 HG13 VAL 53 7.136 0.455 -3.971 414 HG21 VAL 53 HG21 VAL 53 4.191 -1.417 -2.608 415 HG22 VAL 53 HG22 VAL 53 4.572 -1.273 -4.325 416 HG23 VAL 53 HG23 VAL 53 4.732 0.130 -3.266 417 H GLN 54 H GLN 54 7.922 -4.656 -4.267 418 HA GLN 54 HA GLN 54 10.210 -4.749 -2.543 419 HB2 GLN 54 HB2 GLN 54 9.475 -6.660 -3.973 420 HB3 GLN 54 HB3 GLN 54 9.912 -5.742 -5.411 421 HG2 GLN 54 HG2 GLN 54 12.279 -5.729 -4.668 422 HG3 GLN 54 HG3 GLN 54 11.829 -6.673 -3.248 423 HE21 GLN 54 HE21 GLN 54 13.704 -7.377 -5.355 424 HE22 GLN 54 HE22 GLN 54 13.128 -8.853 -6.040 425 H GLY 55 H GLY 55 11.412 -2.932 -2.330 426 HA2 GLY 55 HA2 GLY 55 13.302 -1.725 -3.488 427 HA3 GLY 55 HA3 GLY 55 12.123 -1.300 -4.721 428 H ALA 56 H ALA 56 11.711 -1.338 -1.174 429 HA ALA 56 HA ALA 56 10.560 1.235 -0.963 430 HB1 ALA 56 HB1 ALA 56 11.967 -0.370 1.208 431 HB2 ALA 56 HB2 ALA 56 10.260 -0.492 0.772 432 HB3 ALA 56 HB3 ALA 56 10.883 1.003 1.468 433 H ARG 57 H ARG 57 11.459 3.281 -0.594 434 HA ARG 57 HA ARG 57 14.273 3.726 -0.290 435 HB2 ARG 57 HB2 ARG 57 14.032 2.776 -2.655 436 HB3 ARG 57 HB3 ARG 57 13.207 4.272 -3.069 437 HG2 ARG 57 HG2 ARG 57 15.317 5.507 -2.339 438 HG3 ARG 57 HG3 ARG 57 16.092 3.925 -2.199 439 HD2 ARG 57 HD2 ARG 57 15.113 5.341 -4.682 440 HD3 ARG 57 HD3 ARG 57 16.708 4.657 -4.351 441 HE ARG 57 HE ARG 57 14.263 3.110 -4.994 442 HH11 ARG 57 HH11 ARG 57 17.718 3.268 -4.954 443 HH12 ARG 57 HH12 ARG 57 17.885 1.770 -5.796 444 HH21 ARG 57 HH21 ARG 57 14.509 1.232 -6.054 445 HH22 ARG 57 HH22 ARG 57 16.091 0.640 -6.422 446 H SER 58 H SER 58 11.776 5.427 -2.243 447 HA SER 58 HA SER 58 11.672 7.731 -0.494 448 HB2 SER 58 HB2 SER 58 13.131 8.034 -3.164 449 HB3 SER 58 HB3 SER 58 12.644 9.375 -2.129 450 HG SER 58 HG SER 58 13.988 8.020 -0.500 451 H GLY 59 H GLY 59 11.264 6.874 -3.973 452 HA2 GLY 59 HA2 GLY 59 9.017 8.552 -4.465 453 HA3 GLY 59 HA3 GLY 59 9.555 7.223 -5.477 454 H ASP 60 H ASP 60 9.244 5.405 -3.050 455 HA ASP 60 HA ASP 60 6.458 4.613 -3.445 456 HB2 ASP 60 HB2 ASP 60 7.067 2.671 -2.035 457 HB3 ASP 60 HB3 ASP 60 8.265 2.913 -3.298 458 H ALA 61 H ALA 61 8.189 6.590 -1.189 459 HA ALA 61 HA ALA 61 6.385 6.396 1.049 460 HB1 ALA 61 HB1 ALA 61 7.547 8.402 1.900 461 HB2 ALA 61 HB2 ALA 61 8.358 8.618 0.346 462 HB3 ALA 61 HB3 ALA 61 8.713 7.207 1.340 463 H GLY 62 H GLY 62 4.306 7.031 0.880 464 HA2 GLY 62 HA2 GLY 62 3.434 9.599 0.292 465 HA3 GLY 62 HA3 GLY 62 3.328 8.695 -1.208 466 H GLU 63 H GLU 63 1.023 9.472 -0.771 467 HA GLU 63 HA GLU 63 -0.546 7.965 1.134 468 HB2 GLU 63 HB2 GLU 63 -1.299 9.942 -1.042 469 HB3 GLU 63 HB3 GLU 63 -2.513 9.048 -0.140 470 HG2 GLU 63 HG2 GLU 63 -2.248 11.276 0.780 471 HG3 GLU 63 HG3 GLU 63 -1.753 10.055 1.952 472 H TYR 64 H TYR 64 -0.835 5.879 0.758 473 HA TYR 64 HA TYR 64 -1.703 4.862 -1.862 474 HB2 TYR 64 HB2 TYR 64 -1.170 3.450 0.790 475 HB3 TYR 64 HB3 TYR 64 -1.732 2.633 -0.663 476 HD1 TYR 64 HD2 TYR 64 1.107 4.786 0.571 477 HD2 TYR 64 HD1 TYR 64 -0.144 1.753 -2.180 478 HE1 TYR 64 HE2 TYR 64 3.435 4.468 -0.143 479 HE2 TYR 64 HE1 TYR 64 2.180 1.440 -2.896 480 HH TYR 64 HH TYR 64 4.846 2.860 -1.239 481 H LEU 65 H LEU 65 -3.788 3.796 -2.070 482 HA LEU 65 HA LEU 65 -5.725 4.220 0.134 483 HB2 LEU 65 HB2 LEU 65 -6.177 6.008 -1.445 484 HB3 LEU 65 HB3 LEU 65 -6.173 4.892 -2.797 485 HG LEU 65 HG LEU 65 -8.262 3.831 -1.927 486 HD11 LEU 65 HD11 LEU 65 -9.557 4.897 -0.130 487 HD12 LEU 65 HD12 LEU 65 -8.221 6.007 0.187 488 HD13 LEU 65 HD13 LEU 65 -8.016 4.275 0.461 489 HD21 LEU 65 HD21 LEU 65 -8.411 5.609 -3.614 490 HD22 LEU 65 HD22 LEU 65 -8.506 6.829 -2.340 491 HD23 LEU 65 HD23 LEU 65 -9.799 5.642 -2.526 492 H CYS 66 H CYS 66 -5.908 2.133 0.786 493 HA CYS 66 HA CYS 66 -6.384 -0.067 -1.014 494 HB2 CYS 66 HB2 CYS 66 -5.438 -0.359 1.306 495 HB3 CYS 66 HB3 CYS 66 -7.020 0.056 1.964 496 HG CYS 66 HG CYS 66 -6.742 -2.505 -0.255 497 H ASP 67 H ASP 67 -8.032 0.534 -2.336 498 HA ASP 67 HA ASP 67 -10.457 1.803 -1.504 499 HB2 ASP 67 HB2 ASP 67 -9.370 2.267 -3.670 500 HB3 ASP 67 HB3 ASP 67 -9.610 0.599 -4.174 501 H ALA 68 H ALA 68 -11.507 0.403 -0.065 502 HA ALA 68 HA ALA 68 -12.409 -2.243 -0.979 503 HB1 ALA 68 HB1 ALA 68 -13.147 -2.574 1.326 504 HB2 ALA 68 HB2 ALA 68 -12.761 -0.897 1.713 505 HB3 ALA 68 HB3 ALA 68 -11.472 -2.022 1.293 506 HA PRO 69 HA PRO 69 -16.485 -0.860 -2.232 507 HB2 PRO 69 HB2 PRO 69 -18.029 -3.070 -1.614 508 HB3 PRO 69 HB3 PRO 69 -16.915 -3.010 -2.989 509 HG2 PRO 69 HG2 PRO 69 -16.448 -4.155 -0.226 510 HG3 PRO 69 HG3 PRO 69 -16.106 -4.894 -1.809 511 HD2 PRO 69 HD2 PRO 69 -14.145 -3.729 -0.403 512 HD3 PRO 69 HD3 PRO 69 -14.211 -3.542 -2.172 513 H GLN 70 H GLN 70 -15.963 -1.827 1.096 514 HA GLN 70 HA GLN 70 -18.424 -0.426 1.986 515 HB2 GLN 70 HB2 GLN 70 -16.838 -2.609 3.396 516 HB3 GLN 70 HB3 GLN 70 -18.240 -1.785 4.074 517 HG2 GLN 70 HG2 GLN 70 -18.264 -3.481 1.553 518 HG3 GLN 70 HG3 GLN 70 -18.782 -4.022 3.150 519 HE21 GLN 70 HE21 GLN 70 -20.289 -3.784 0.613 520 HE22 GLN 70 HE22 GLN 70 -21.653 -2.795 0.986 521 H ASP 71 H ASP 71 -14.986 -0.944 2.969 522 HA ASP 71 HA ASP 71 -14.954 1.764 4.153 523 HB2 ASP 71 HB2 ASP 71 -15.419 0.201 5.995 524 HB3 ASP 71 HB3 ASP 71 -14.036 -0.792 5.543 525 H SER 72 H SER 72 -13.599 2.623 2.593 526 HA SER 72 HA SER 72 -11.081 1.346 1.840 527 HB2 SER 72 HB2 SER 72 -10.788 3.344 0.373 528 HB3 SER 72 HB3 SER 72 -12.350 2.563 0.118 529 HG SER 72 HG SER 72 -12.409 4.898 0.306 530 H ARG 73 H ARG 73 -9.001 2.067 2.428 531 HA ARG 73 HA ARG 73 -8.808 4.148 4.538 532 HB2 ARG 73 HB2 ARG 73 -7.686 1.318 4.640 533 HB3 ARG 73 HB3 ARG 73 -7.060 2.607 5.668 534 HG2 ARG 73 HG2 ARG 73 -9.957 1.669 5.624 535 HG3 ARG 73 HG3 ARG 73 -8.751 1.188 6.825 536 HD2 ARG 73 HD2 ARG 73 -8.712 3.309 7.826 537 HD3 ARG 73 HD3 ARG 73 -9.275 4.129 6.370 538 HE ARG 73 HE ARG 73 -11.243 2.376 7.533 539 HH11 ARG 73 HH11 ARG 73 -9.952 5.594 7.612 540 HH12 ARG 73 HH12 ARG 73 -11.413 6.270 8.225 541 HH21 ARG 73 HH21 ARG 73 -13.074 3.280 8.333 542 HH22 ARG 73 HH22 ARG 73 -13.149 4.976 8.657 543 H ILE 74 H ILE 74 -7.243 5.558 4.346 544 HA ILE 74 HA ILE 74 -5.348 5.463 2.125 545 HB ILE 74 HB ILE 74 -6.032 7.672 4.129 546 HG12 ILE 74 HG12 ILE 74 -6.766 8.883 1.921 547 HG13 ILE 74 HG13 ILE 74 -6.714 7.290 1.178 548 HG21 ILE 74 HG21 ILE 74 -3.984 7.804 1.881 549 HG22 ILE 74 HG22 ILE 74 -3.672 7.918 3.616 550 HG23 ILE 74 HG23 ILE 74 -4.566 9.200 2.797 551 HD11 ILE 74 HD11 ILE 74 -8.964 7.922 1.812 552 HD12 ILE 74 HD12 ILE 74 -8.467 8.114 3.493 553 HD13 ILE 74 HD13 ILE 74 -8.432 6.518 2.737 554 H PHE 75 H PHE 75 -3.197 4.988 2.394 555 HA PHE 75 HA PHE 75 -2.048 4.721 5.088 556 HB2 PHE 75 HB2 PHE 75 -1.302 3.587 2.400 557 HB3 PHE 75 HB3 PHE 75 -0.090 3.675 3.666 558 HD1 PHE 75 HD2 PHE 75 -3.362 2.189 2.728 559 HD2 PHE 75 HD1 PHE 75 -0.085 2.131 5.469 560 HE1 PHE 75 HE2 PHE 75 -4.118 0.038 3.614 561 HE2 PHE 75 HE1 PHE 75 -0.860 -0.024 6.350 562 HZ PHE 75 HZ PHE 75 -2.870 -1.077 5.420 563 H LEU 76 H LEU 76 -1.223 6.638 5.769 564 HA LEU 76 HA LEU 76 0.429 8.321 4.062 565 HB2 LEU 76 HB2 LEU 76 0.213 8.382 7.106 566 HB3 LEU 76 HB3 LEU 76 0.790 9.669 6.055 567 HG LEU 76 HG LEU 76 -2.087 8.692 6.323 568 HD11 LEU 76 HD11 LEU 76 -0.854 11.352 7.102 569 HD12 LEU 76 HD12 LEU 76 -1.346 10.065 8.206 570 HD13 LEU 76 HD13 LEU 76 -2.558 10.907 7.246 571 HD21 LEU 76 HD21 LEU 76 -1.017 10.861 4.477 572 HD22 LEU 76 HD22 LEU 76 -2.722 10.499 4.763 573 HD23 LEU 76 HD23 LEU 76 -1.690 9.302 3.990 574 H VAL 77 H VAL 77 2.116 7.007 3.326 575 HA VAL 77 HA VAL 77 3.764 5.498 5.262 576 HB VAL 77 HB VAL 77 3.734 5.372 2.210 577 HG11 VAL 77 HG11 VAL 77 5.989 4.835 3.045 578 HG12 VAL 77 HG12 VAL 77 5.206 3.371 2.448 579 HG13 VAL 77 HG13 VAL 77 5.316 3.665 4.185 580 HG21 VAL 77 HG21 VAL 77 2.689 3.137 2.519 581 HG22 VAL 77 HG22 VAL 77 1.687 4.420 3.203 582 HG23 VAL 77 HG23 VAL 77 2.657 3.396 4.267 583 H SER 78 H SER 78 5.563 6.438 6.009 584 HA SER 78 HA SER 78 7.094 8.335 4.296 585 HB2 SER 78 HB2 SER 78 7.866 9.438 6.383 586 HB3 SER 78 HB3 SER 78 6.109 9.480 6.248 587 HG SER 78 HG SER 78 7.736 8.094 8.032 588 H VAL 79 H VAL 79 8.835 7.327 3.510 589 HA VAL 79 HA VAL 79 10.187 5.165 4.928 590 HB VAL 79 HB VAL 79 10.902 6.432 2.240 591 HG11 VAL 79 HG11 VAL 79 12.791 5.208 3.239 592 HG12 VAL 79 HG12 VAL 79 12.174 4.339 1.834 593 HG13 VAL 79 HG13 VAL 79 11.775 3.779 3.460 594 HG21 VAL 79 HG21 VAL 79 8.617 5.484 2.172 595 HG22 VAL 79 HG22 VAL 79 9.228 3.940 2.770 596 HG23 VAL 79 HG23 VAL 79 9.725 4.529 1.183 597 H GLU 80 H GLU 80 11.511 5.743 6.500 598 HA GLU 80 HA GLU 80 13.389 8.026 6.272 599 HB2 GLU 80 HB2 GLU 80 11.728 7.258 8.720 600 HB3 GLU 80 HB3 GLU 80 12.936 8.539 8.669 601 HG2 GLU 80 HG2 GLU 80 11.567 9.835 7.132 602 HG3 GLU 80 HG3 GLU 80 10.391 8.521 7.013 603 H GLU 81 H GLU 81 14.897 7.799 8.429 604 HA GLU 81 HA GLU 81 16.336 6.688 9.787 605 HB2 GLU 81 HB2 GLU 81 14.115 5.817 10.616 606 HB3 GLU 81 HB3 GLU 81 14.323 4.416 9.577 607 HG2 GLU 81 HG2 GLU 81 16.364 3.810 10.879 608 HG3 GLU 81 HG3 GLU 81 16.044 5.172 11.955 609 HA PRO 82 HA PRO 82 17.687 4.565 5.779 610 HB2 PRO 82 HB2 PRO 82 20.083 5.828 5.395 611 HB3 PRO 82 HB3 PRO 82 18.535 6.507 4.885 612 HG2 PRO 82 HG2 PRO 82 20.145 7.100 7.370 613 HG3 PRO 82 HG3 PRO 82 19.319 8.234 6.281 614 HD2 PRO 82 HD2 PRO 82 18.228 7.470 8.647 615 HD3 PRO 82 HD3 PRO 82 17.222 7.813 7.220 Start of MODEL 7 1 H MET 1 H1 MET 1 -5.353 8.149 10.189 2 HA MET 1 HA MET 1 -6.450 6.419 8.061 3 HB2 MET 1 HB2 MET 1 -4.287 8.564 7.933 4 HB3 MET 1 HB3 MET 1 -4.537 7.362 6.666 5 HG2 MET 1 HG2 MET 1 -6.493 9.486 7.565 6 HG3 MET 1 HG3 MET 1 -5.649 9.390 6.014 7 HE1 MET 1 HE1 MET 1 -8.258 9.799 5.054 8 HE2 MET 1 HE2 MET 1 -8.941 9.617 6.672 9 HE3 MET 1 HE3 MET 1 -9.550 8.635 5.340 10 H THR 2 H THR 2 -5.027 4.780 7.321 11 HA THR 2 HA THR 2 -3.759 3.452 9.579 12 HB THR 2 HB THR 2 -4.201 2.340 6.765 13 HG1 THR 2 HG1 THR 2 -6.096 1.703 8.669 14 HG21 THR 2 HG21 THR 2 -2.835 0.854 8.141 15 HG22 THR 2 HG22 THR 2 -4.456 0.158 7.967 16 HG23 THR 2 HG23 THR 2 -3.994 0.964 9.472 17 H ARG 3 H ARG 3 -1.757 4.537 9.828 18 HA ARG 3 HA ARG 3 -0.036 5.158 7.552 19 HB2 ARG 3 HB2 ARG 3 0.430 5.641 10.526 20 HB3 ARG 3 HB3 ARG 3 1.325 6.378 9.195 21 HG2 ARG 3 HG2 ARG 3 -0.651 7.635 8.509 22 HG3 ARG 3 HG3 ARG 3 -1.641 6.796 9.707 23 HD2 ARG 3 HD2 ARG 3 0.662 8.693 10.296 24 HD3 ARG 3 HD3 ARG 3 -1.061 9.044 10.485 25 HE ARG 3 HE ARG 3 -0.001 6.783 11.999 26 HH11 ARG 3 HH11 ARG 3 -1.038 10.085 12.136 27 HH12 ARG 3 HH12 ARG 3 -1.063 10.096 13.862 28 HH21 ARG 3 HH21 ARG 3 -0.028 6.838 14.179 29 HH22 ARG 3 HH22 ARG 3 -0.484 8.290 15.000 30 H VAL 4 H VAL 4 2.025 4.322 7.157 31 HA VAL 4 HA VAL 4 3.191 2.251 8.926 32 HB VAL 4 HB VAL 4 2.754 1.878 5.914 33 HG11 VAL 4 HG11 VAL 4 3.950 -0.297 6.131 34 HG12 VAL 4 HG12 VAL 4 4.371 0.111 7.796 35 HG13 VAL 4 HG13 VAL 4 5.010 1.076 6.463 36 HG21 VAL 4 HG21 VAL 4 0.771 1.267 7.236 37 HG22 VAL 4 HG22 VAL 4 1.751 0.221 8.265 38 HG23 VAL 4 HG23 VAL 4 1.522 -0.184 6.562 39 H ARG 5 H ARG 5 5.372 2.548 9.213 40 HA ARG 5 HA ARG 5 6.898 4.291 7.366 41 HB2 ARG 5 HB2 ARG 5 7.261 3.538 10.264 42 HB3 ARG 5 HB3 ARG 5 8.699 3.931 9.338 43 HG2 ARG 5 HG2 ARG 5 7.927 5.883 10.566 44 HG3 ARG 5 HG3 ARG 5 7.797 6.166 8.831 45 HD2 ARG 5 HD2 ARG 5 5.360 5.703 8.960 46 HD3 ARG 5 HD3 ARG 5 5.515 5.456 10.706 47 HE ARG 5 HE ARG 5 6.462 8.021 9.723 48 HH11 ARG 5 HH11 ARG 5 3.786 6.333 11.145 49 HH12 ARG 5 HH12 ARG 5 2.994 7.795 11.615 50 HH21 ARG 5 HH21 ARG 5 5.408 9.866 10.333 51 HH22 ARG 5 HH22 ARG 5 3.895 9.756 11.158 52 H SER 6 H SER 6 8.835 3.609 6.380 53 HA SER 6 HA SER 6 9.591 0.757 6.553 54 HB2 SER 6 HB2 SER 6 8.012 0.949 4.638 55 HB3 SER 6 HB3 SER 6 9.034 2.189 3.912 56 HG SER 6 HG SER 6 10.319 0.676 3.189 57 H THR 7 H THR 7 11.700 0.283 5.553 58 HA THR 7 HA THR 7 13.621 2.514 5.722 59 HB THR 7 HB THR 7 15.375 0.638 5.610 60 HG1 THR 7 HG1 THR 7 14.490 -1.473 6.214 61 HG21 THR 7 HG21 THR 7 15.112 0.032 7.969 62 HG22 THR 7 HG22 THR 7 13.434 0.577 7.942 63 HG23 THR 7 HG23 THR 7 14.742 1.744 7.711 64 HA PRO 8 HA PRO 8 14.208 2.627 1.271 65 HB2 PRO 8 HB2 PRO 8 16.633 3.827 1.106 66 HB3 PRO 8 HB3 PRO 8 15.202 4.674 1.723 67 HG2 PRO 8 HG2 PRO 8 17.374 3.300 3.303 68 HG3 PRO 8 HG3 PRO 8 16.754 4.961 3.487 69 HD2 PRO 8 HD2 PRO 8 15.853 2.951 5.038 70 HD3 PRO 8 HD3 PRO 8 14.761 4.240 4.484 71 H GLY 9 H GLY 9 14.210 0.409 0.826 72 HA2 GLY 9 HA2 GLY 9 15.795 -1.033 -0.553 73 HA3 GLY 9 HA3 GLY 9 16.815 -1.048 0.878 74 H GLY 10 H GLY 10 14.085 -1.114 2.433 75 HA2 GLY 10 HA2 GLY 10 13.668 -4.052 2.310 76 HA3 GLY 10 HA3 GLY 10 13.200 -2.986 3.631 77 H ASP 11 H ASP 11 11.517 -4.959 2.125 78 HA ASP 11 HA ASP 11 9.875 -3.561 0.266 79 HB2 ASP 11 HB2 ASP 11 8.430 -5.509 0.224 80 HB3 ASP 11 HB3 ASP 11 10.108 -6.031 0.220 81 H LEU 12 H LEU 12 8.179 -2.272 0.545 82 HA LEU 12 HA LEU 12 7.078 -1.634 3.134 83 HB2 LEU 12 HB2 LEU 12 7.308 0.103 1.431 84 HB3 LEU 12 HB3 LEU 12 6.347 -0.830 0.296 85 HG LEU 12 HG LEU 12 4.363 -0.548 1.839 86 HD11 LEU 12 HD11 LEU 12 6.158 1.408 3.296 87 HD12 LEU 12 HD12 LEU 12 5.528 -0.115 3.933 88 HD13 LEU 12 HD13 LEU 12 4.422 1.203 3.552 89 HD21 LEU 12 HD21 LEU 12 4.625 0.832 -0.167 90 HD22 LEU 12 HD22 LEU 12 5.573 2.010 0.749 91 HD23 LEU 12 HD23 LEU 12 3.872 1.746 1.141 92 H GLU 13 H GLU 13 5.965 -3.406 3.991 93 HA GLU 13 HA GLU 13 3.908 -4.736 2.329 94 HB2 GLU 13 HB2 GLU 13 5.550 -6.235 3.450 95 HB3 GLU 13 HB3 GLU 13 5.075 -5.586 5.017 96 HG2 GLU 13 HG2 GLU 13 2.795 -6.473 4.705 97 HG3 GLU 13 HG3 GLU 13 3.257 -7.114 3.131 98 H LEU 14 H LEU 14 1.995 -3.719 2.464 99 HA LEU 14 HA LEU 14 1.057 -2.463 4.946 100 HB2 LEU 14 HB2 LEU 14 -0.248 -2.558 2.185 101 HB3 LEU 14 HB3 LEU 14 -0.758 -1.558 3.543 102 HG LEU 14 HG LEU 14 1.829 -1.270 1.950 103 HD11 LEU 14 HD11 LEU 14 0.926 0.892 1.246 104 HD12 LEU 14 HD12 LEU 14 -0.565 0.582 2.141 105 HD13 LEU 14 HD13 LEU 14 -0.133 -0.429 0.759 106 HD21 LEU 14 HD21 LEU 14 2.299 0.724 3.304 107 HD22 LEU 14 HD22 LEU 14 2.272 -0.733 4.291 108 HD23 LEU 14 HD23 LEU 14 0.898 0.377 4.324 109 H VAL 15 H VAL 15 0.322 -4.029 6.345 110 HA VAL 15 HA VAL 15 -1.332 -6.278 5.391 111 HB VAL 15 HB VAL 15 -0.434 -5.691 8.260 112 HG11 VAL 15 HG11 VAL 15 -1.443 -8.269 6.984 113 HG12 VAL 15 HG12 VAL 15 -2.323 -7.260 8.135 114 HG13 VAL 15 HG13 VAL 15 -0.863 -8.106 8.644 115 HG21 VAL 15 HG21 VAL 15 1.405 -7.314 7.892 116 HG22 VAL 15 HG22 VAL 15 1.562 -5.905 6.842 117 HG23 VAL 15 HG23 VAL 15 0.963 -7.431 6.187 118 H VAL 16 H VAL 16 -3.398 -5.665 5.021 119 HA VAL 16 HA VAL 16 -4.604 -3.466 6.589 120 HB VAL 16 HB VAL 16 -5.630 -4.607 3.955 121 HG11 VAL 16 HG11 VAL 16 -7.247 -3.223 5.180 122 HG12 VAL 16 HG12 VAL 16 -6.718 -2.406 3.710 123 HG13 VAL 16 HG13 VAL 16 -6.077 -1.901 5.273 124 HG21 VAL 16 HG21 VAL 16 -3.335 -3.918 3.546 125 HG22 VAL 16 HG22 VAL 16 -3.626 -2.357 4.312 126 HG23 VAL 16 HG23 VAL 16 -4.442 -2.762 2.803 127 H HIS 17 H HIS 17 -6.252 -3.861 7.974 128 HA HIS 17 HA HIS 17 -8.249 -5.942 7.350 129 HB2 HIS 17 HB2 HIS 17 -6.882 -5.626 10.057 130 HB3 HIS 17 HB3 HIS 17 -8.354 -6.560 9.811 131 HD1 HIS 17 HD1 HIS 17 -4.684 -6.716 9.396 132 HD2 HIS 17 HD2 HIS 17 -7.998 -8.952 8.280 133 HE1 HIS 17 HE1 HIS 17 -3.770 -8.908 8.595 134 HE2 HIS 17 HE2 HIS 17 -5.809 -10.316 8.182 135 H LEU 18 H LEU 18 -8.424 -3.202 6.844 136 HA LEU 18 HA LEU 18 -10.049 -1.755 8.600 137 HB2 LEU 18 HB2 LEU 18 -10.963 -0.678 6.444 138 HB3 LEU 18 HB3 LEU 18 -9.253 -0.567 6.757 139 HG LEU 18 HG LEU 18 -8.778 -2.271 5.067 140 HD11 LEU 18 HD11 LEU 18 -11.728 -2.437 4.502 141 HD12 LEU 18 HD12 LEU 18 -10.714 -3.705 5.195 142 HD13 LEU 18 HD13 LEU 18 -10.440 -3.173 3.539 143 HD21 LEU 18 HD21 LEU 18 -10.576 -0.106 3.954 144 HD22 LEU 18 HD22 LEU 18 -9.346 -1.004 3.057 145 HD23 LEU 18 HD23 LEU 18 -8.868 0.073 4.365 146 H SER 19 H SER 19 -12.486 -1.159 7.778 147 HA SER 19 HA SER 19 -14.045 -3.528 8.531 148 HB2 SER 19 HB2 SER 19 -14.897 -0.609 8.269 149 HB3 SER 19 HB3 SER 19 -15.853 -1.903 8.999 150 HG SER 19 HG SER 19 -14.694 -1.760 10.758 151 H GLY 20 H GLY 20 -13.008 -3.142 5.686 152 HA2 GLY 20 HA2 GLY 20 -15.579 -3.284 4.190 153 HA3 GLY 20 HA3 GLY 20 -14.050 -2.775 3.498 154 HA PRO 21 HA PRO 21 -13.912 -7.652 4.215 155 HB2 PRO 21 HB2 PRO 21 -16.317 -8.954 4.046 156 HB3 PRO 21 HB3 PRO 21 -15.692 -8.292 5.566 157 HG2 PRO 21 HG2 PRO 21 -17.691 -7.074 3.652 158 HG3 PRO 21 HG3 PRO 21 -17.782 -7.215 5.422 159 HD2 PRO 21 HD2 PRO 21 -17.001 -4.913 4.209 160 HD3 PRO 21 HD3 PRO 21 -16.322 -5.421 5.771 161 H GLY 22 H GLY 22 -13.060 -8.513 2.400 162 HA2 GLY 22 HA2 GLY 22 -12.833 -9.432 0.306 163 HA3 GLY 22 HA3 GLY 22 -14.584 -9.475 0.200 164 H GLY 23 H GLY 23 -15.501 -8.193 -1.319 165 HA2 GLY 23 HA2 GLY 23 -15.812 -5.972 -2.254 166 HA3 GLY 23 HA3 GLY 23 -14.075 -5.774 -2.312 167 HA PRO 24 HA PRO 24 -12.289 -7.607 -2.942 168 HB2 PRO 24 HB2 PRO 24 -10.404 -7.474 -4.904 169 HB3 PRO 24 HB3 PRO 24 -11.354 -8.939 -4.611 170 HG2 PRO 24 HG2 PRO 24 -11.778 -6.789 -6.688 171 HG3 PRO 24 HG3 PRO 24 -11.817 -8.556 -6.885 172 HD2 PRO 24 HD2 PRO 24 -14.090 -7.052 -6.613 173 HD3 PRO 24 HD3 PRO 24 -13.980 -8.732 -6.045 174 H VAL 25 H VAL 25 -10.882 -6.106 -2.087 175 HA VAL 25 HA VAL 25 -11.404 -3.346 -2.312 176 HB VAL 25 HB VAL 25 -8.991 -4.762 -1.099 177 HG11 VAL 25 HG11 VAL 25 -9.921 -1.903 -0.644 178 HG12 VAL 25 HG12 VAL 25 -8.436 -2.403 -1.457 179 HG13 VAL 25 HG13 VAL 25 -8.649 -2.724 0.263 180 HG21 VAL 25 HG21 VAL 25 -11.583 -3.831 0.204 181 HG22 VAL 25 HG22 VAL 25 -10.198 -4.510 1.061 182 HG23 VAL 25 HG23 VAL 25 -11.096 -5.504 -0.085 183 H ARG 26 H ARG 26 -10.415 -1.688 -3.426 184 HA ARG 26 HA ARG 26 -8.622 -2.402 -5.644 185 HB2 ARG 26 HB2 ARG 26 -10.924 -1.028 -5.794 186 HB3 ARG 26 HB3 ARG 26 -9.906 0.333 -5.365 187 HG2 ARG 26 HG2 ARG 26 -9.871 0.477 -7.676 188 HG3 ARG 26 HG3 ARG 26 -8.424 -0.494 -7.402 189 HD2 ARG 26 HD2 ARG 26 -11.171 -1.505 -8.249 190 HD3 ARG 26 HD3 ARG 26 -9.732 -1.422 -9.257 191 HE ARG 26 HE ARG 26 -8.791 -3.245 -8.033 192 HH11 ARG 26 HH11 ARG 26 -12.092 -2.634 -7.192 193 HH12 ARG 26 HH12 ARG 26 -12.302 -4.196 -6.487 194 HH21 ARG 26 HH21 ARG 26 -9.102 -5.242 -7.107 195 HH22 ARG 26 HH22 ARG 26 -10.647 -5.634 -6.450 196 H TRP 27 H TRP 27 -6.540 -1.773 -5.639 197 HA TRP 27 HA TRP 27 -5.531 -0.013 -3.506 198 HB2 TRP 27 HB2 TRP 27 -4.231 -2.090 -5.301 199 HB3 TRP 27 HB3 TRP 27 -3.243 -0.891 -4.472 200 HD1 TRP 27 HD1 TRP 27 -5.067 -4.147 -3.839 201 HE1 TRP 27 HE1 TRP 27 -4.689 -4.840 -1.392 202 HE3 TRP 27 HE3 TRP 27 -3.019 0.193 -2.085 203 HZ2 TRP 27 HZ2 TRP 27 -3.663 -3.684 0.973 204 HZ3 TRP 27 HZ3 TRP 27 -2.373 0.332 0.286 205 HH2 TRP 27 HH2 TRP 27 -2.692 -1.571 1.784 206 H TYR 28 H TYR 28 -4.631 1.916 -3.872 207 HA TYR 28 HA TYR 28 -3.992 2.818 -6.623 208 HB2 TYR 28 HB2 TYR 28 -5.427 4.495 -4.508 209 HB3 TYR 28 HB3 TYR 28 -4.908 5.074 -6.085 210 HD1 TYR 28 HD1 TYR 28 -6.142 4.344 -8.155 211 HD2 TYR 28 HD2 TYR 28 -7.490 3.195 -4.262 212 HE1 TYR 28 HE1 TYR 28 -8.339 3.770 -9.083 213 HE2 TYR 28 HE2 TYR 28 -9.682 2.611 -5.208 214 HH TYR 28 HH TYR 28 -11.067 3.150 -7.125 215 H LYS 29 H LYS 29 -2.163 4.080 -6.777 216 HA LYS 29 HA LYS 29 -1.064 5.423 -4.398 217 HB2 LYS 29 HB2 LYS 29 0.435 3.570 -4.738 218 HB3 LYS 29 HB3 LYS 29 0.518 3.838 -6.462 219 HG2 LYS 29 HG2 LYS 29 2.589 4.587 -5.465 220 HG3 LYS 29 HG3 LYS 29 1.718 5.987 -6.046 221 HD2 LYS 29 HD2 LYS 29 1.049 6.621 -3.817 222 HD3 LYS 29 HD3 LYS 29 1.619 5.091 -3.141 223 HE2 LYS 29 HE2 LYS 29 3.168 6.932 -2.630 224 HE3 LYS 29 HE3 LYS 29 3.946 5.722 -3.645 225 HZ1 LYS 29 HZ1 LYS 29 4.476 7.937 -4.385 226 HZ2 LYS 29 HZ2 LYS 29 2.841 8.327 -4.551 227 HZ3 LYS 29 HZ3 LYS 29 3.539 7.167 -5.562 228 H ASP 30 H ASP 30 -0.572 7.536 -4.739 229 HA ASP 30 HA ASP 30 -0.551 9.609 -5.643 230 HB2 ASP 30 HB2 ASP 30 0.218 8.196 -8.234 231 HB3 ASP 30 HB3 ASP 30 0.314 9.921 -7.964 232 H GLY 31 H GLY 31 -3.028 7.830 -5.815 233 HA2 GLY 31 HA2 GLY 31 -5.244 8.275 -6.365 234 HA3 GLY 31 HA3 GLY 31 -4.725 9.576 -7.424 235 H GLU 32 H GLU 32 -2.904 6.868 -8.212 236 HA GLU 32 HA GLU 32 -4.811 5.977 -10.319 237 HB2 GLU 32 HB2 GLU 32 -2.895 7.200 -11.299 238 HB3 GLU 32 HB3 GLU 32 -1.762 6.131 -10.476 239 HG2 GLU 32 HG2 GLU 32 -2.593 4.217 -11.794 240 HG3 GLU 32 HG3 GLU 32 -3.770 5.261 -12.587 241 H ARG 33 H ARG 33 -5.161 3.807 -10.487 242 HA ARG 33 HA ARG 33 -4.756 2.151 -8.287 243 HB2 ARG 33 HB2 ARG 33 -5.871 0.434 -9.494 244 HB3 ARG 33 HB3 ARG 33 -6.568 1.936 -10.068 245 HG2 ARG 33 HG2 ARG 33 -4.399 0.414 -11.548 246 HG3 ARG 33 HG3 ARG 33 -6.124 0.202 -11.857 247 HD2 ARG 33 HD2 ARG 33 -6.326 2.464 -12.667 248 HD3 ARG 33 HD3 ARG 33 -4.699 2.874 -12.109 249 HE ARG 33 HE ARG 33 -4.646 0.727 -13.986 250 HH11 ARG 33 HH11 ARG 33 -4.990 4.179 -13.880 251 HH12 ARG 33 HH12 ARG 33 -4.287 4.387 -15.442 252 HH21 ARG 33 HH21 ARG 33 -3.762 1.051 -15.979 253 HH22 ARG 33 HH22 ARG 33 -3.608 2.655 -16.605 254 H LEU 34 H LEU 34 -3.482 0.259 -7.914 255 HA LEU 34 HA LEU 34 -1.018 -0.029 -9.515 256 HB2 LEU 34 HB2 LEU 34 -1.748 -1.244 -6.822 257 HB3 LEU 34 HB3 LEU 34 -0.251 -1.562 -7.684 258 HG LEU 34 HG LEU 34 -1.111 0.994 -6.307 259 HD11 LEU 34 HD11 LEU 34 1.049 0.770 -5.163 260 HD12 LEU 34 HD12 LEU 34 1.345 -0.741 -6.039 261 HD13 LEU 34 HD13 LEU 34 -0.007 -0.618 -4.907 262 HD21 LEU 34 HD21 LEU 34 0.904 2.111 -7.229 263 HD22 LEU 34 HD22 LEU 34 -0.266 1.724 -8.484 264 HD23 LEU 34 HD23 LEU 34 1.177 0.725 -8.290 265 H ALA 35 H ALA 35 -0.252 -2.202 -10.003 266 HA ALA 35 HA ALA 35 -2.281 -4.332 -10.258 267 HB1 ALA 35 HB1 ALA 35 -1.516 -4.844 -12.536 268 HB2 ALA 35 HB2 ALA 35 -0.384 -3.490 -12.483 269 HB3 ALA 35 HB3 ALA 35 -2.123 -3.188 -12.453 270 H SER 36 H SER 36 -1.378 -6.454 -10.256 271 HA SER 36 HA SER 36 1.086 -6.729 -8.756 272 HB2 SER 36 HB2 SER 36 0.498 -9.160 -8.757 273 HB3 SER 36 HB3 SER 36 -0.839 -8.152 -8.210 274 HG SER 36 HG SER 36 -1.815 -9.407 -9.646 275 H GLN 37 H GLN 37 2.846 -6.165 -10.088 276 HA GLN 37 HA GLN 37 3.291 -7.873 -12.499 277 HB2 GLN 37 HB2 GLN 37 4.455 -5.205 -11.687 278 HB3 GLN 37 HB3 GLN 37 5.384 -6.248 -12.745 279 HG2 GLN 37 HG2 GLN 37 4.229 -4.740 -14.155 280 HG3 GLN 37 HG3 GLN 37 3.423 -6.297 -14.323 281 HE21 GLN 37 HE21 GLN 37 1.496 -5.416 -15.039 282 HE22 GLN 37 HE22 GLN 37 0.456 -4.470 -14.042 283 H GLY 38 H GLY 38 5.639 -6.521 -10.157 284 HA2 GLY 38 HA2 GLY 38 6.582 -9.203 -9.402 285 HA3 GLY 38 HA3 GLY 38 7.709 -8.186 -10.298 286 H ARG 39 H ARG 39 7.747 -5.825 -9.368 287 HA ARG 39 HA ARG 39 8.660 -5.880 -6.659 288 HB2 ARG 39 HB2 ARG 39 9.574 -4.319 -8.390 289 HB3 ARG 39 HB3 ARG 39 8.034 -3.461 -8.413 290 HG2 ARG 39 HG2 ARG 39 8.356 -2.848 -6.026 291 HG3 ARG 39 HG3 ARG 39 9.908 -3.694 -6.031 292 HD2 ARG 39 HD2 ARG 39 10.677 -2.126 -7.845 293 HD3 ARG 39 HD3 ARG 39 9.161 -1.229 -7.645 294 HE ARG 39 HE ARG 39 11.114 -1.620 -5.456 295 HH11 ARG 39 HH11 ARG 39 9.081 0.545 -7.245 296 HH12 ARG 39 HH12 ARG 39 9.330 1.836 -6.124 297 HH21 ARG 39 HH21 ARG 39 11.423 0.041 -4.103 298 HH22 ARG 39 HH22 ARG 39 10.659 1.562 -4.404 299 H VAL 40 H VAL 40 5.765 -4.515 -8.235 300 HA VAL 40 HA VAL 40 4.418 -3.944 -5.725 301 HB VAL 40 HB VAL 40 3.331 -3.905 -8.585 302 HG11 VAL 40 HG11 VAL 40 1.519 -4.163 -6.939 303 HG12 VAL 40 HG12 VAL 40 1.466 -2.559 -7.674 304 HG13 VAL 40 HG13 VAL 40 2.113 -2.762 -6.044 305 HG21 VAL 40 HG21 VAL 40 5.151 -2.264 -8.273 306 HG22 VAL 40 HG22 VAL 40 4.326 -1.595 -6.864 307 HG23 VAL 40 HG23 VAL 40 3.597 -1.446 -8.466 308 H GLN 41 H GLN 41 4.094 -5.818 -4.611 309 HA GLN 41 HA GLN 41 2.865 -8.173 -5.868 310 HB2 GLN 41 HB2 GLN 41 3.834 -7.790 -2.999 311 HB3 GLN 41 HB3 GLN 41 3.345 -9.316 -3.736 312 HG2 GLN 41 HG2 GLN 41 5.284 -9.081 -5.324 313 HG3 GLN 41 HG3 GLN 41 5.786 -7.649 -4.424 314 HE21 GLN 41 HE21 GLN 41 5.488 -11.123 -4.336 315 HE22 GLN 41 HE22 GLN 41 6.467 -11.375 -2.938 316 H LEU 42 H LEU 42 0.661 -8.070 -6.009 317 HA LEU 42 HA LEU 42 -0.899 -6.889 -3.780 318 HB2 LEU 42 HB2 LEU 42 -1.606 -7.317 -6.699 319 HB3 LEU 42 HB3 LEU 42 -2.810 -6.902 -5.487 320 HG LEU 42 HG LEU 42 -0.434 -5.182 -6.319 321 HD11 LEU 42 HD11 LEU 42 -2.116 -3.623 -7.172 322 HD12 LEU 42 HD12 LEU 42 -3.409 -4.736 -6.714 323 HD13 LEU 42 HD13 LEU 42 -2.252 -5.191 -7.968 324 HD21 LEU 42 HD21 LEU 42 -2.558 -4.619 -4.222 325 HD22 LEU 42 HD22 LEU 42 -1.354 -3.465 -4.802 326 HD23 LEU 42 HD23 LEU 42 -0.840 -4.902 -3.925 327 H GLU 43 H GLU 43 -1.508 -8.348 -2.369 328 HA GLU 43 HA GLU 43 -2.322 -11.080 -3.076 329 HB2 GLU 43 HB2 GLU 43 -0.782 -10.786 -1.176 330 HB3 GLU 43 HB3 GLU 43 -1.901 -9.684 -0.394 331 HG2 GLU 43 HG2 GLU 43 -2.031 -11.778 0.743 332 HG3 GLU 43 HG3 GLU 43 -3.530 -11.570 -0.159 333 H GLN 44 H GLN 44 -4.408 -11.145 -3.820 334 HA GLN 44 HA GLN 44 -6.510 -9.441 -2.677 335 HB2 GLN 44 HB2 GLN 44 -6.736 -11.481 -4.939 336 HB3 GLN 44 HB3 GLN 44 -7.951 -10.302 -4.471 337 HG2 GLN 44 HG2 GLN 44 -6.987 -9.439 -6.435 338 HG3 GLN 44 HG3 GLN 44 -6.261 -8.499 -5.133 339 HE21 GLN 44 HE21 GLN 44 -4.511 -7.954 -6.501 340 HE22 GLN 44 HE22 GLN 44 -3.267 -9.091 -6.870 341 H ALA 45 H ALA 45 -7.151 -10.235 -0.716 342 HA ALA 45 HA ALA 45 -8.219 -13.017 -0.599 343 HB1 ALA 45 HB1 ALA 45 -6.153 -12.798 0.764 344 HB2 ALA 45 HB2 ALA 45 -7.566 -13.104 1.773 345 HB3 ALA 45 HB3 ALA 45 -6.893 -11.478 1.672 346 H GLY 46 H GLY 46 -9.576 -12.858 1.836 347 HA2 GLY 46 HA2 GLY 46 -11.898 -11.251 1.301 348 HA3 GLY 46 HA3 GLY 46 -11.580 -12.177 2.760 349 H ALA 47 H ALA 47 -10.523 -11.168 4.520 350 HA ALA 47 HA ALA 47 -10.808 -8.267 4.676 351 HB1 ALA 47 HB1 ALA 47 -11.642 -9.695 6.504 352 HB2 ALA 47 HB2 ALA 47 -10.405 -8.579 7.084 353 HB3 ALA 47 HB3 ALA 47 -10.004 -10.278 6.814 354 H ARG 48 H ARG 48 -8.194 -10.589 4.348 355 HA ARG 48 HA ARG 48 -6.107 -8.738 5.272 356 HB2 ARG 48 HB2 ARG 48 -6.039 -11.140 5.935 357 HB3 ARG 48 HB3 ARG 48 -5.876 -11.604 4.247 358 HG2 ARG 48 HG2 ARG 48 -3.686 -10.412 4.159 359 HG3 ARG 48 HG3 ARG 48 -3.857 -10.007 5.871 360 HD2 ARG 48 HD2 ARG 48 -2.394 -11.947 5.621 361 HD3 ARG 48 HD3 ARG 48 -3.888 -12.430 6.427 362 HE ARG 48 HE ARG 48 -3.979 -12.850 3.584 363 HH11 ARG 48 HH11 ARG 48 -2.951 -14.314 6.566 364 HH12 ARG 48 HH12 ARG 48 -2.870 -15.890 5.864 365 HH21 ARG 48 HH21 ARG 48 -3.883 -14.897 2.757 366 HH22 ARG 48 HH22 ARG 48 -3.399 -16.215 3.762 367 H GLN 49 H GLN 49 -6.262 -7.132 3.591 368 HA GLN 49 HA GLN 49 -5.337 -7.877 0.894 369 HB2 GLN 49 HB2 GLN 49 -5.956 -5.108 2.021 370 HB3 GLN 49 HB3 GLN 49 -5.676 -5.508 0.324 371 HG2 GLN 49 HG2 GLN 49 -8.005 -6.428 2.039 372 HG3 GLN 49 HG3 GLN 49 -8.059 -5.197 0.783 373 HE21 GLN 49 HE21 GLN 49 -9.602 -7.671 1.033 374 HE22 GLN 49 HE22 GLN 49 -9.298 -8.575 -0.403 375 H VAL 50 H VAL 50 -3.198 -7.721 0.268 376 HA VAL 50 HA VAL 50 -1.314 -6.262 2.051 377 HB VAL 50 HB VAL 50 -0.700 -8.987 0.827 378 HG11 VAL 50 HG11 VAL 50 1.300 -7.608 1.141 379 HG12 VAL 50 HG12 VAL 50 1.298 -8.947 2.288 380 HG13 VAL 50 HG13 VAL 50 0.870 -7.322 2.829 381 HG21 VAL 50 HG21 VAL 50 -2.396 -9.276 2.581 382 HG22 VAL 50 HG22 VAL 50 -1.403 -8.360 3.721 383 HG23 VAL 50 HG23 VAL 50 -0.841 -9.921 3.115 384 H LEU 51 H LEU 51 -0.644 -4.595 0.821 385 HA LEU 51 HA LEU 51 0.431 -5.063 -1.896 386 HB2 LEU 51 HB2 LEU 51 -1.067 -3.168 -1.722 387 HB3 LEU 51 HB3 LEU 51 -0.214 -2.529 -0.341 388 HG LEU 51 HG LEU 51 0.012 -1.344 -2.691 389 HD11 LEU 51 HD11 LEU 51 2.251 -0.536 -2.175 390 HD12 LEU 51 HD12 LEU 51 2.504 -1.871 -1.045 391 HD13 LEU 51 HD13 LEU 51 1.268 -0.654 -0.719 392 HD21 LEU 51 HD21 LEU 51 2.142 -3.476 -3.078 393 HD22 LEU 51 HD22 LEU 51 1.812 -2.079 -4.117 394 HD23 LEU 51 HD23 LEU 51 0.625 -3.365 -3.971 395 H ARG 52 H ARG 52 2.508 -5.757 -1.910 396 HA ARG 52 HA ARG 52 4.441 -4.671 0.056 397 HB2 ARG 52 HB2 ARG 52 4.791 -7.200 -1.606 398 HB3 ARG 52 HB3 ARG 52 5.813 -6.644 -0.281 399 HG2 ARG 52 HG2 ARG 52 3.887 -7.000 1.278 400 HG3 ARG 52 HG3 ARG 52 2.957 -7.645 -0.077 401 HD2 ARG 52 HD2 ARG 52 3.877 -9.485 1.222 402 HD3 ARG 52 HD3 ARG 52 4.666 -9.440 -0.362 403 HE ARG 52 HE ARG 52 6.149 -7.978 1.601 404 HH11 ARG 52 HH11 ARG 52 5.559 -11.221 0.505 405 HH12 ARG 52 HH12 ARG 52 7.043 -11.805 1.166 406 HH21 ARG 52 HH21 ARG 52 8.014 -8.762 2.425 407 HH22 ARG 52 HH22 ARG 52 8.410 -10.435 2.238 408 H VAL 53 H VAL 53 5.371 -2.874 -0.924 409 HA VAL 53 HA VAL 53 6.346 -3.009 -3.684 410 HB VAL 53 HB VAL 53 6.736 -0.794 -1.607 411 HG11 VAL 53 HG11 VAL 53 7.245 -0.743 -4.608 412 HG12 VAL 53 HG12 VAL 53 8.478 -0.722 -3.346 413 HG13 VAL 53 HG13 VAL 53 7.376 0.644 -3.522 414 HG21 VAL 53 HG21 VAL 53 4.356 -1.078 -2.169 415 HG22 VAL 53 HG22 VAL 53 4.726 -0.956 -3.889 416 HG23 VAL 53 HG23 VAL 53 4.973 0.437 -2.832 417 H GLN 54 H GLN 54 7.936 -4.558 -3.742 418 HA GLN 54 HA GLN 54 9.856 -5.192 -1.832 419 HB2 GLN 54 HB2 GLN 54 10.051 -5.501 -4.854 420 HB3 GLN 54 HB3 GLN 54 11.111 -6.301 -3.695 421 HG2 GLN 54 HG2 GLN 54 9.150 -7.496 -2.758 422 HG3 GLN 54 HG3 GLN 54 8.118 -6.724 -3.964 423 HE21 GLN 54 HE21 GLN 54 8.738 -9.592 -3.514 424 HE22 GLN 54 HE22 GLN 54 9.333 -10.177 -5.028 425 H GLY 55 H GLY 55 11.601 -4.131 -1.068 426 HA2 GLY 55 HA2 GLY 55 13.371 -2.691 -0.852 427 HA3 GLY 55 HA3 GLY 55 13.583 -2.824 -2.592 428 H ALA 56 H ALA 56 11.326 -1.261 -0.289 429 HA ALA 56 HA ALA 56 10.662 0.876 -2.115 430 HB1 ALA 56 HB1 ALA 56 8.991 -0.096 -0.606 431 HB2 ALA 56 HB2 ALA 56 9.165 1.636 -0.323 432 HB3 ALA 56 HB3 ALA 56 9.894 0.479 0.798 433 H ARG 57 H ARG 57 12.117 2.499 -2.475 434 HA ARG 57 HA ARG 57 13.821 3.588 -0.358 435 HB2 ARG 57 HB2 ARG 57 13.584 4.292 -3.313 436 HB3 ARG 57 HB3 ARG 57 14.627 5.164 -2.204 437 HG2 ARG 57 HG2 ARG 57 16.058 3.674 -3.342 438 HG3 ARG 57 HG3 ARG 57 15.814 2.940 -1.755 439 HD2 ARG 57 HD2 ARG 57 15.722 1.262 -3.551 440 HD3 ARG 57 HD3 ARG 57 14.170 1.381 -2.717 441 HE ARG 57 HE ARG 57 13.965 3.082 -4.875 442 HH11 ARG 57 HH11 ARG 57 14.555 -0.322 -4.548 443 HH12 ARG 57 HH12 ARG 57 13.821 -0.687 -6.067 444 HH21 ARG 57 HH21 ARG 57 13.025 2.571 -6.776 445 HH22 ARG 57 HH22 ARG 57 12.971 0.929 -7.312 446 H SER 58 H SER 58 13.950 6.300 -0.872 447 HA SER 58 HA SER 58 11.802 7.354 0.637 448 HB2 SER 58 HB2 SER 58 13.844 8.847 -1.060 449 HB3 SER 58 HB3 SER 58 12.814 9.585 0.171 450 HG SER 58 HG SER 58 14.635 9.140 1.259 451 H GLY 59 H GLY 59 12.201 7.083 -2.839 452 HA2 GLY 59 HA2 GLY 59 10.199 8.905 -3.714 453 HA3 GLY 59 HA3 GLY 59 10.816 7.532 -4.622 454 H ASP 60 H ASP 60 9.958 5.710 -2.338 455 HA ASP 60 HA ASP 60 7.217 5.216 -3.251 456 HB2 ASP 60 HB2 ASP 60 9.028 3.568 -1.433 457 HB3 ASP 60 HB3 ASP 60 7.501 3.026 -2.146 458 H ALA 61 H ALA 61 8.535 7.021 -0.784 459 HA ALA 61 HA ALA 61 6.621 6.496 1.328 460 HB1 ALA 61 HB1 ALA 61 7.542 8.547 2.351 461 HB2 ALA 61 HB2 ALA 61 8.438 8.897 0.869 462 HB3 ALA 61 HB3 ALA 61 8.833 7.468 1.821 463 H GLY 62 H GLY 62 4.499 6.806 0.787 464 HA2 GLY 62 HA2 GLY 62 3.489 9.392 0.031 465 HA3 GLY 62 HA3 GLY 62 3.490 8.261 -1.316 466 H GLU 63 H GLU 63 1.128 9.009 -1.006 467 HA GLU 63 HA GLU 63 -0.342 7.622 1.101 468 HB2 GLU 63 HB2 GLU 63 -1.410 9.386 -1.143 469 HB3 GLU 63 HB3 GLU 63 -2.314 8.786 0.239 470 HG2 GLU 63 HG2 GLU 63 -1.835 11.070 0.668 471 HG3 GLU 63 HG3 GLU 63 -0.788 10.131 1.730 472 H TYR 64 H TYR 64 -0.626 5.506 0.746 473 HA TYR 64 HA TYR 64 -1.458 4.484 -1.897 474 HB2 TYR 64 HB2 TYR 64 -0.602 3.043 0.655 475 HB3 TYR 64 HB3 TYR 64 -1.158 2.220 -0.799 476 HD1 TYR 64 HD2 TYR 64 1.483 4.625 0.387 477 HD2 TYR 64 HD1 TYR 64 0.410 1.634 -2.479 478 HE1 TYR 64 HE2 TYR 64 3.775 4.631 -0.486 479 HE2 TYR 64 HE1 TYR 64 2.703 1.655 -3.361 480 HH TYR 64 HH TYR 64 5.290 3.205 -1.744 481 H LEU 65 H LEU 65 -3.614 4.480 -2.259 482 HA LEU 65 HA LEU 65 -5.495 4.634 -0.016 483 HB2 LEU 65 HB2 LEU 65 -5.781 6.309 -1.721 484 HB3 LEU 65 HB3 LEU 65 -5.770 5.109 -2.997 485 HG LEU 65 HG LEU 65 -7.980 4.270 -2.267 486 HD11 LEU 65 HD11 LEU 65 -9.316 5.440 -0.592 487 HD12 LEU 65 HD12 LEU 65 -7.948 6.481 -0.194 488 HD13 LEU 65 HD13 LEU 65 -7.867 4.746 0.130 489 HD21 LEU 65 HD21 LEU 65 -9.323 6.185 -2.983 490 HD22 LEU 65 HD22 LEU 65 -7.875 6.030 -3.973 491 HD23 LEU 65 HD23 LEU 65 -7.956 7.271 -2.717 492 H CYS 66 H CYS 66 -5.833 2.635 0.794 493 HA CYS 66 HA CYS 66 -6.603 0.357 -0.869 494 HB2 CYS 66 HB2 CYS 66 -5.300 0.019 1.214 495 HB3 CYS 66 HB3 CYS 66 -6.599 0.732 2.161 496 HG CYS 66 HG CYS 66 -8.410 -1.331 1.633 497 H ASP 67 H ASP 67 -8.398 1.214 -1.937 498 HA ASP 67 HA ASP 67 -10.665 2.358 -0.534 499 HB2 ASP 67 HB2 ASP 67 -9.938 3.218 -2.751 500 HB3 ASP 67 HB3 ASP 67 -10.283 1.653 -3.480 501 H ALA 68 H ALA 68 -11.934 0.983 0.581 502 HA ALA 68 HA ALA 68 -12.507 -1.741 -0.474 503 HB1 ALA 68 HB1 ALA 68 -11.149 -1.688 1.574 504 HB2 ALA 68 HB2 ALA 68 -12.722 -2.436 1.866 505 HB3 ALA 68 HB3 ALA 68 -12.412 -0.781 2.398 506 HA PRO 69 HA PRO 69 -16.966 -1.024 -0.510 507 HB2 PRO 69 HB2 PRO 69 -17.921 -3.271 0.874 508 HB3 PRO 69 HB3 PRO 69 -17.487 -3.245 -0.839 509 HG2 PRO 69 HG2 PRO 69 -15.838 -4.136 1.526 510 HG3 PRO 69 HG3 PRO 69 -16.039 -4.915 -0.060 511 HD2 PRO 69 HD2 PRO 69 -13.837 -3.500 0.467 512 HD3 PRO 69 HD3 PRO 69 -14.603 -3.381 -1.137 513 H GLN 70 H GLN 70 -17.912 0.506 0.661 514 HA GLN 70 HA GLN 70 -18.854 1.738 2.278 515 HB2 GLN 70 HB2 GLN 70 -19.730 -0.379 3.254 516 HB3 GLN 70 HB3 GLN 70 -18.270 -0.539 4.216 517 HG2 GLN 70 HG2 GLN 70 -20.040 0.301 5.623 518 HG3 GLN 70 HG3 GLN 70 -18.846 1.580 5.399 519 HE21 GLN 70 HE21 GLN 70 -20.375 3.169 5.938 520 HE22 GLN 70 HE22 GLN 70 -21.650 3.625 4.871 521 H ASP 71 H ASP 71 -15.970 0.151 3.785 522 HA ASP 71 HA ASP 71 -15.172 2.775 4.919 523 HB2 ASP 71 HB2 ASP 71 -15.630 0.944 6.527 524 HB3 ASP 71 HB3 ASP 71 -14.414 -0.058 5.742 525 H SER 72 H SER 72 -13.922 3.712 3.319 526 HA SER 72 HA SER 72 -11.658 2.275 2.082 527 HB2 SER 72 HB2 SER 72 -13.080 3.644 0.604 528 HB3 SER 72 HB3 SER 72 -12.763 5.078 1.576 529 HG SER 72 HG SER 72 -11.450 4.460 -0.486 530 H ARG 73 H ARG 73 -9.536 2.573 2.722 531 HA ARG 73 HA ARG 73 -8.915 4.677 4.739 532 HB2 ARG 73 HB2 ARG 73 -7.842 1.820 4.573 533 HB3 ARG 73 HB3 ARG 73 -7.198 3.050 5.662 534 HG2 ARG 73 HG2 ARG 73 -10.047 1.990 5.692 535 HG3 ARG 73 HG3 ARG 73 -8.760 1.504 6.799 536 HD2 ARG 73 HD2 ARG 73 -8.682 3.704 7.792 537 HD3 ARG 73 HD3 ARG 73 -9.742 4.359 6.542 538 HE ARG 73 HE ARG 73 -11.335 2.525 7.574 539 HH11 ARG 73 HH11 ARG 73 -9.368 4.781 9.324 540 HH12 ARG 73 HH12 ARG 73 -10.506 4.885 10.618 541 HH21 ARG 73 HH21 ARG 73 -12.731 2.695 9.219 542 HH22 ARG 73 HH22 ARG 73 -12.386 3.738 10.555 543 H ILE 74 H ILE 74 -7.334 6.068 4.265 544 HA ILE 74 HA ILE 74 -5.459 5.620 2.053 545 HB ILE 74 HB ILE 74 -5.895 8.049 3.872 546 HG12 ILE 74 HG12 ILE 74 -6.517 9.184 1.647 547 HG13 ILE 74 HG13 ILE 74 -6.495 7.591 0.906 548 HG21 ILE 74 HG21 ILE 74 -3.851 7.782 1.634 549 HG22 ILE 74 HG22 ILE 74 -3.507 7.950 3.356 550 HG23 ILE 74 HG23 ILE 74 -4.248 9.284 2.475 551 HD11 ILE 74 HD11 ILE 74 -8.339 8.484 3.121 552 HD12 ILE 74 HD12 ILE 74 -8.346 6.900 2.341 553 HD13 ILE 74 HD13 ILE 74 -8.747 8.344 1.413 554 H PHE 75 H PHE 75 -3.320 5.117 2.341 555 HA PHE 75 HA PHE 75 -2.328 4.612 5.080 556 HB2 PHE 75 HB2 PHE 75 -1.655 3.316 2.412 557 HB3 PHE 75 HB3 PHE 75 -0.610 3.125 3.812 558 HD1 PHE 75 HD2 PHE 75 -4.338 2.968 3.220 559 HD2 PHE 75 HD1 PHE 75 -0.875 1.040 4.825 560 HE1 PHE 75 HE2 PHE 75 -5.737 1.123 4.034 561 HE2 PHE 75 HE1 PHE 75 -2.287 -0.801 5.632 562 HZ PHE 75 HZ PHE 75 -4.714 -0.756 5.239 563 H LEU 76 H LEU 76 -1.316 6.441 5.710 564 HA LEU 76 HA LEU 76 0.352 8.034 3.962 565 HB2 LEU 76 HB2 LEU 76 0.068 8.133 6.999 566 HB3 LEU 76 HB3 LEU 76 0.839 9.358 5.999 567 HG LEU 76 HG LEU 76 -2.127 8.641 5.946 568 HD11 LEU 76 HD11 LEU 76 -1.525 9.807 8.011 569 HD12 LEU 76 HD12 LEU 76 -2.514 10.833 6.976 570 HD13 LEU 76 HD13 LEU 76 -0.772 11.109 7.082 571 HD21 LEU 76 HD21 LEU 76 -0.657 10.836 4.438 572 HD22 LEU 76 HD22 LEU 76 -2.406 10.593 4.472 573 HD23 LEU 76 HD23 LEU 76 -1.368 9.379 3.734 574 H VAL 77 H VAL 77 1.954 6.681 3.206 575 HA VAL 77 HA VAL 77 3.681 5.179 5.012 576 HB VAL 77 HB VAL 77 3.612 5.421 1.979 577 HG11 VAL 77 HG11 VAL 77 5.972 5.139 2.626 578 HG12 VAL 77 HG12 VAL 77 5.358 3.667 1.878 579 HG13 VAL 77 HG13 VAL 77 5.552 3.745 3.630 580 HG21 VAL 77 HG21 VAL 77 2.889 3.060 2.068 581 HG22 VAL 77 HG22 VAL 77 1.794 4.082 3.000 582 HG23 VAL 77 HG23 VAL 77 2.987 3.079 3.832 583 H SER 78 H SER 78 5.655 5.743 5.654 584 HA SER 78 HA SER 78 6.992 8.121 4.507 585 HB2 SER 78 HB2 SER 78 6.565 7.601 7.481 586 HB3 SER 78 HB3 SER 78 7.503 8.927 6.798 587 HG SER 78 HG SER 78 5.182 9.085 5.622 588 H VAL 79 H VAL 79 8.791 7.247 3.657 589 HA VAL 79 HA VAL 79 10.378 5.219 5.052 590 HB VAL 79 HB VAL 79 10.867 6.644 2.385 591 HG11 VAL 79 HG11 VAL 79 12.975 5.816 3.327 592 HG12 VAL 79 HG12 VAL 79 12.518 4.859 1.919 593 HG13 VAL 79 HG13 VAL 79 12.280 4.206 3.544 594 HG21 VAL 79 HG21 VAL 79 8.822 5.275 2.290 595 HG22 VAL 79 HG22 VAL 79 9.705 3.869 2.899 596 HG23 VAL 79 HG23 VAL 79 10.096 4.540 1.314 597 H GLU 80 H GLU 80 11.659 5.974 6.682 598 HA GLU 80 HA GLU 80 13.088 8.527 6.472 599 HB2 GLU 80 HB2 GLU 80 12.043 9.433 8.558 600 HB3 GLU 80 HB3 GLU 80 10.904 9.290 7.224 601 HG2 GLU 80 HG2 GLU 80 9.961 7.247 8.208 602 HG3 GLU 80 HG3 GLU 80 11.150 7.299 9.512 603 H GLU 81 H GLU 81 13.436 5.465 7.218 604 HA GLU 81 HA GLU 81 15.453 5.991 9.339 605 HB2 GLU 81 HB2 GLU 81 13.539 4.653 10.244 606 HB3 GLU 81 HB3 GLU 81 13.799 3.444 8.988 607 HG2 GLU 81 HG2 GLU 81 16.075 3.017 9.911 608 HG3 GLU 81 HG3 GLU 81 15.749 4.172 11.202 609 HA PRO 82 HA PRO 82 17.903 4.804 5.568 610 HB2 PRO 82 HB2 PRO 82 20.085 5.250 7.604 611 HB3 PRO 82 HB3 PRO 82 19.998 5.788 5.920 612 HG2 PRO 82 HG2 PRO 82 19.511 7.528 7.859 613 HG3 PRO 82 HG3 PRO 82 18.461 7.512 6.424 614 HD2 PRO 82 HD2 PRO 82 17.936 6.372 9.172 615 HD3 PRO 82 HD3 PRO 82 16.839 7.268 8.095 Start of MODEL 8 1 H MET 1 H1 MET 1 -5.390 7.561 11.621 2 HA MET 1 HA MET 1 -6.586 6.129 9.312 3 HB2 MET 1 HB2 MET 1 -6.318 8.650 9.095 4 HB3 MET 1 HB3 MET 1 -4.582 8.425 9.278 5 HG2 MET 1 HG2 MET 1 -5.243 8.648 6.918 6 HG3 MET 1 HG3 MET 1 -4.520 7.072 7.247 7 HE1 MET 1 HE1 MET 1 -9.034 7.814 6.527 8 HE2 MET 1 HE2 MET 1 -7.781 9.037 6.325 9 HE3 MET 1 HE3 MET 1 -8.200 8.460 7.940 10 H THR 2 H THR 2 -5.234 4.637 8.281 11 HA THR 2 HA THR 2 -3.205 3.356 9.809 12 HB THR 2 HB THR 2 -2.777 2.099 7.536 13 HG1 THR 2 HG1 THR 2 -3.726 3.668 6.198 14 HG21 THR 2 HG21 THR 2 -4.095 1.040 9.295 15 HG22 THR 2 HG22 THR 2 -4.843 0.743 7.718 16 HG23 THR 2 HG23 THR 2 -5.530 1.951 8.811 17 H ARG 3 H ARG 3 -1.551 4.861 10.256 18 HA ARG 3 HA ARG 3 0.187 5.787 8.082 19 HB2 ARG 3 HB2 ARG 3 0.134 6.226 11.075 20 HB3 ARG 3 HB3 ARG 3 1.613 6.547 10.178 21 HG2 ARG 3 HG2 ARG 3 0.397 8.170 8.758 22 HG3 ARG 3 HG3 ARG 3 -1.074 7.882 9.694 23 HD2 ARG 3 HD2 ARG 3 -0.252 8.996 11.571 24 HD3 ARG 3 HD3 ARG 3 1.436 8.704 11.152 25 HE ARG 3 HE ARG 3 -0.296 10.708 9.816 26 HH11 ARG 3 HH11 ARG 3 2.861 9.682 10.824 27 HH12 ARG 3 HH12 ARG 3 3.589 11.200 10.431 28 HH21 ARG 3 HH21 ARG 3 0.667 12.644 9.312 29 HH22 ARG 3 HH22 ARG 3 2.365 12.852 9.589 30 H VAL 4 H VAL 4 1.960 4.725 7.414 31 HA VAL 4 HA VAL 4 3.159 2.554 9.037 32 HB VAL 4 HB VAL 4 2.438 2.418 6.065 33 HG11 VAL 4 HG11 VAL 4 3.488 0.164 6.025 34 HG12 VAL 4 HG12 VAL 4 4.074 0.410 7.671 35 HG13 VAL 4 HG13 VAL 4 4.675 1.427 6.361 36 HG21 VAL 4 HG21 VAL 4 0.545 1.887 7.543 37 HG22 VAL 4 HG22 VAL 4 1.521 0.694 8.399 38 HG23 VAL 4 HG23 VAL 4 1.095 0.429 6.709 39 H ARG 5 H ARG 5 5.404 2.507 9.018 40 HA ARG 5 HA ARG 5 6.823 4.609 7.473 41 HB2 ARG 5 HB2 ARG 5 6.951 4.773 9.951 42 HB3 ARG 5 HB3 ARG 5 7.668 3.168 10.024 43 HG2 ARG 5 HG2 ARG 5 9.669 3.943 8.898 44 HG3 ARG 5 HG3 ARG 5 8.939 5.519 8.584 45 HD2 ARG 5 HD2 ARG 5 10.528 5.658 10.449 46 HD3 ARG 5 HD3 ARG 5 8.887 5.989 11.006 47 HE ARG 5 HE ARG 5 9.450 3.258 11.394 48 HH11 ARG 5 HH11 ARG 5 10.409 6.320 12.714 49 HH12 ARG 5 HH12 ARG 5 10.767 5.639 14.260 50 HH21 ARG 5 HH21 ARG 5 9.909 2.436 13.378 51 HH22 ARG 5 HH22 ARG 5 10.485 3.476 14.634 52 H SER 6 H SER 6 8.330 4.048 5.968 53 HA SER 6 HA SER 6 9.022 1.181 5.601 54 HB2 SER 6 HB2 SER 6 7.573 2.104 3.819 55 HB3 SER 6 HB3 SER 6 8.754 3.373 3.503 56 HG SER 6 HG SER 6 8.872 1.553 2.059 57 H THR 7 H THR 7 11.116 0.983 4.122 58 HA THR 7 HA THR 7 13.252 2.571 5.443 59 HB THR 7 HB THR 7 14.645 0.409 5.327 60 HG1 THR 7 HG1 THR 7 13.613 -1.490 4.972 61 HG21 THR 7 HG21 THR 7 13.722 1.284 7.417 62 HG22 THR 7 HG22 THR 7 13.700 -0.482 7.399 63 HG23 THR 7 HG23 THR 7 12.207 0.422 7.126 64 HA PRO 8 HA PRO 8 14.866 3.299 1.303 65 HB2 PRO 8 HB2 PRO 8 17.116 4.620 1.921 66 HB3 PRO 8 HB3 PRO 8 15.529 5.276 2.356 67 HG2 PRO 8 HG2 PRO 8 17.424 3.703 4.100 68 HG3 PRO 8 HG3 PRO 8 16.663 5.275 4.441 69 HD2 PRO 8 HD2 PRO 8 15.610 2.935 5.339 70 HD3 PRO 8 HD3 PRO 8 14.587 4.318 4.892 71 H GLY 9 H GLY 9 15.151 1.166 0.622 72 HA2 GLY 9 HA2 GLY 9 16.979 -0.093 -0.520 73 HA3 GLY 9 HA3 GLY 9 17.809 -0.116 1.027 74 H GLY 10 H GLY 10 14.856 -0.432 2.119 75 HA2 GLY 10 HA2 GLY 10 14.891 -3.368 2.137 76 HA3 GLY 10 HA3 GLY 10 13.961 -2.317 3.191 77 H ASP 11 H ASP 11 11.913 -3.049 2.896 78 HA ASP 11 HA ASP 11 10.627 -2.658 0.309 79 HB2 ASP 11 HB2 ASP 11 9.620 -4.943 0.291 80 HB3 ASP 11 HB3 ASP 11 11.368 -4.982 0.115 81 H LEU 12 H LEU 12 8.387 -2.419 0.433 82 HA LEU 12 HA LEU 12 7.258 -1.728 3.036 83 HB2 LEU 12 HB2 LEU 12 6.983 -0.230 1.062 84 HB3 LEU 12 HB3 LEU 12 6.113 -1.504 0.222 85 HG LEU 12 HG LEU 12 4.300 -1.376 1.941 86 HD11 LEU 12 HD11 LEU 12 4.233 0.518 3.513 87 HD12 LEU 12 HD12 LEU 12 5.873 0.969 3.044 88 HD13 LEU 12 HD13 LEU 12 5.576 -0.574 3.850 89 HD21 LEU 12 HD21 LEU 12 4.060 -0.124 -0.146 90 HD22 LEU 12 HD22 LEU 12 4.911 1.255 0.555 91 HD23 LEU 12 HD23 LEU 12 3.339 0.769 1.195 92 H GLU 13 H GLU 13 5.461 -2.755 3.983 93 HA GLU 13 HA GLU 13 3.990 -4.829 2.506 94 HB2 GLU 13 HB2 GLU 13 5.726 -6.054 3.850 95 HB3 GLU 13 HB3 GLU 13 5.082 -5.320 5.313 96 HG2 GLU 13 HG2 GLU 13 2.916 -6.468 4.940 97 HG3 GLU 13 HG3 GLU 13 3.570 -7.209 3.480 98 H LEU 14 H LEU 14 1.993 -3.971 2.510 99 HA LEU 14 HA LEU 14 0.879 -2.719 4.952 100 HB2 LEU 14 HB2 LEU 14 -0.133 -2.579 2.072 101 HB3 LEU 14 HB3 LEU 14 -0.790 -1.694 3.445 102 HG LEU 14 HG LEU 14 1.975 -1.290 2.230 103 HD11 LEU 14 HD11 LEU 14 -0.459 0.517 2.103 104 HD12 LEU 14 HD12 LEU 14 0.207 -0.431 0.771 105 HD13 LEU 14 HD13 LEU 14 1.150 0.882 1.470 106 HD21 LEU 14 HD21 LEU 14 1.992 -0.880 4.645 107 HD22 LEU 14 HD22 LEU 14 0.635 0.237 4.482 108 HD23 LEU 14 HD23 LEU 14 2.192 0.619 3.742 109 H VAL 15 H VAL 15 0.068 -4.480 6.103 110 HA VAL 15 HA VAL 15 -1.783 -6.352 4.755 111 HB VAL 15 HB VAL 15 -0.728 -6.435 7.621 112 HG11 VAL 15 HG11 VAL 15 -2.324 -8.507 6.060 113 HG12 VAL 15 HG12 VAL 15 -2.904 -7.558 7.430 114 HG13 VAL 15 HG13 VAL 15 -1.628 -8.753 7.664 115 HG21 VAL 15 HG21 VAL 15 0.730 -8.286 6.852 116 HG22 VAL 15 HG22 VAL 15 1.098 -6.786 5.999 117 HG23 VAL 15 HG23 VAL 15 0.164 -8.052 5.197 118 H VAL 16 H VAL 16 -3.882 -5.882 4.794 119 HA VAL 16 HA VAL 16 -4.785 -3.594 6.415 120 HB VAL 16 HB VAL 16 -6.114 -4.637 3.884 121 HG11 VAL 16 HG11 VAL 16 -7.022 -2.348 3.731 122 HG12 VAL 16 HG12 VAL 16 -6.189 -1.910 5.223 123 HG13 VAL 16 HG13 VAL 16 -7.476 -3.115 5.255 124 HG21 VAL 16 HG21 VAL 16 -4.860 -2.914 2.621 125 HG22 VAL 16 HG22 VAL 16 -3.793 -4.140 3.305 126 HG23 VAL 16 HG23 VAL 16 -3.909 -2.556 4.065 127 H HIS 17 H HIS 17 -6.574 -3.682 7.675 128 HA HIS 17 HA HIS 17 -8.299 -6.085 7.666 129 HB2 HIS 17 HB2 HIS 17 -7.153 -4.724 10.145 130 HB3 HIS 17 HB3 HIS 17 -8.326 -6.040 10.162 131 HD1 HIS 17 HD1 HIS 17 -7.442 -8.382 9.194 132 HD2 HIS 17 HD2 HIS 17 -4.512 -5.544 10.018 133 HE1 HIS 17 HE1 HIS 17 -5.268 -9.631 9.173 134 HE2 HIS 17 HE2 HIS 17 -3.556 -7.951 9.909 135 H LEU 18 H LEU 18 -8.578 -3.279 6.588 136 HA LEU 18 HA LEU 18 -10.550 -1.835 7.898 137 HB2 LEU 18 HB2 LEU 18 -11.288 -1.042 5.634 138 HB3 LEU 18 HB3 LEU 18 -9.585 -0.895 5.956 139 HG LEU 18 HG LEU 18 -9.156 -2.880 4.479 140 HD11 LEU 18 HD11 LEU 18 -12.056 -2.702 3.686 141 HD12 LEU 18 HD12 LEU 18 -11.272 -4.053 4.510 142 HD13 LEU 18 HD13 LEU 18 -10.806 -3.640 2.862 143 HD21 LEU 18 HD21 LEU 18 -9.480 -1.681 2.354 144 HD22 LEU 18 HD22 LEU 18 -8.864 -0.630 3.624 145 HD23 LEU 18 HD23 LEU 18 -10.567 -0.547 3.166 146 H SER 19 H SER 19 -12.890 -1.637 7.499 147 HA SER 19 HA SER 19 -14.238 -4.254 7.559 148 HB2 SER 19 HB2 SER 19 -15.252 -1.457 8.232 149 HB3 SER 19 HB3 SER 19 -16.212 -2.931 8.389 150 HG SER 19 HG SER 19 -13.699 -2.784 9.643 151 H GLY 20 H GLY 20 -13.349 -3.800 5.044 152 HA2 GLY 20 HA2 GLY 20 -15.322 -2.536 3.332 153 HA3 GLY 20 HA3 GLY 20 -13.898 -3.419 2.826 154 HA PRO 21 HA PRO 21 -17.911 -6.266 3.081 155 HB2 PRO 21 HB2 PRO 21 -19.211 -4.924 0.756 156 HB3 PRO 21 HB3 PRO 21 -19.911 -5.451 2.290 157 HG2 PRO 21 HG2 PRO 21 -19.537 -2.841 1.763 158 HG3 PRO 21 HG3 PRO 21 -19.300 -3.489 3.401 159 HD2 PRO 21 HD2 PRO 21 -17.222 -2.838 1.300 160 HD3 PRO 21 HD3 PRO 21 -17.227 -2.451 3.039 161 H GLY 22 H GLY 22 -16.161 -7.629 2.368 162 HA2 GLY 22 HA2 GLY 22 -15.441 -9.357 1.043 163 HA3 GLY 22 HA3 GLY 22 -16.768 -9.009 -0.047 164 H GLY 23 H GLY 23 -16.435 -7.408 -1.710 165 HA2 GLY 23 HA2 GLY 23 -14.003 -6.141 -2.345 166 HA3 GLY 23 HA3 GLY 23 -14.028 -7.702 -3.158 167 HA PRO 24 HA PRO 24 -12.938 -6.779 -4.883 168 HB2 PRO 24 HB2 PRO 24 -12.343 -5.252 -7.045 169 HB3 PRO 24 HB3 PRO 24 -13.256 -6.761 -7.196 170 HG2 PRO 24 HG2 PRO 24 -14.280 -3.923 -7.145 171 HG3 PRO 24 HG3 PRO 24 -14.744 -5.260 -8.222 172 HD2 PRO 24 HD2 PRO 24 -16.202 -4.520 -5.997 173 HD3 PRO 24 HD3 PRO 24 -16.208 -6.167 -6.662 174 H VAL 25 H VAL 25 -11.771 -5.895 -3.235 175 HA VAL 25 HA VAL 25 -11.691 -3.066 -2.645 176 HB VAL 25 HB VAL 25 -9.903 -5.279 -1.519 177 HG11 VAL 25 HG11 VAL 25 -8.945 -3.030 -1.191 178 HG12 VAL 25 HG12 VAL 25 -9.481 -3.700 0.350 179 HG13 VAL 25 HG13 VAL 25 -10.455 -2.473 -0.464 180 HG21 VAL 25 HG21 VAL 25 -12.490 -4.152 -0.364 181 HG22 VAL 25 HG22 VAL 25 -11.434 -5.324 0.429 182 HG23 VAL 25 HG23 VAL 25 -12.282 -5.765 -1.054 183 H ARG 26 H ARG 26 -10.394 -1.644 -3.603 184 HA ARG 26 HA ARG 26 -8.438 -2.482 -5.611 185 HB2 ARG 26 HB2 ARG 26 -9.624 0.272 -5.039 186 HB3 ARG 26 HB3 ARG 26 -8.717 -0.189 -6.479 187 HG2 ARG 26 HG2 ARG 26 -10.536 -1.590 -7.254 188 HG3 ARG 26 HG3 ARG 26 -11.395 -1.416 -5.721 189 HD2 ARG 26 HD2 ARG 26 -11.677 1.007 -6.158 190 HD3 ARG 26 HD3 ARG 26 -10.843 0.823 -7.704 191 HE ARG 26 HE ARG 26 -12.713 -0.716 -8.332 192 HH11 ARG 26 HH11 ARG 26 -13.320 1.676 -5.887 193 HH12 ARG 26 HH12 ARG 26 -14.989 1.806 -6.316 194 HH21 ARG 26 HH21 ARG 26 -14.858 -0.542 -8.817 195 HH22 ARG 26 HH22 ARG 26 -15.848 0.560 -7.922 196 H TRP 27 H TRP 27 -6.472 -1.157 -5.848 197 HA TRP 27 HA TRP 27 -5.391 0.041 -3.368 198 HB2 TRP 27 HB2 TRP 27 -4.126 -2.012 -5.209 199 HB3 TRP 27 HB3 TRP 27 -3.096 -0.866 -4.358 200 HD1 TRP 27 HD1 TRP 27 -4.994 -4.089 -3.786 201 HE1 TRP 27 HE1 TRP 27 -4.625 -4.821 -1.346 202 HE3 TRP 27 HE3 TRP 27 -2.905 0.211 -1.971 203 HZ2 TRP 27 HZ2 TRP 27 -3.587 -3.703 1.031 204 HZ3 TRP 27 HZ3 TRP 27 -2.262 0.314 0.406 205 HH2 TRP 27 HH2 TRP 27 -2.602 -1.609 1.877 206 H TYR 28 H TYR 28 -4.604 2.033 -3.639 207 HA TYR 28 HA TYR 28 -3.834 2.990 -6.337 208 HB2 TYR 28 HB2 TYR 28 -5.230 4.578 -4.146 209 HB3 TYR 28 HB3 TYR 28 -4.611 5.273 -5.640 210 HD1 TYR 28 HD1 TYR 28 -5.776 4.869 -7.786 211 HD2 TYR 28 HD2 TYR 28 -7.298 3.219 -4.155 212 HE1 TYR 28 HE1 TYR 28 -7.914 4.401 -8.897 213 HE2 TYR 28 HE2 TYR 28 -9.432 2.743 -5.278 214 HH TYR 28 HH TYR 28 -10.721 3.573 -7.178 215 H LYS 29 H LYS 29 -2.299 4.777 -6.332 216 HA LYS 29 HA LYS 29 -0.796 5.374 -3.914 217 HB2 LYS 29 HB2 LYS 29 0.468 3.460 -4.526 218 HB3 LYS 29 HB3 LYS 29 0.423 3.849 -6.229 219 HG2 LYS 29 HG2 LYS 29 2.669 4.158 -5.244 220 HG3 LYS 29 HG3 LYS 29 2.024 5.645 -5.933 221 HD2 LYS 29 HD2 LYS 29 1.451 6.457 -3.665 222 HD3 LYS 29 HD3 LYS 29 2.060 4.956 -2.966 223 HE2 LYS 29 HE2 LYS 29 3.722 6.969 -4.528 224 HE3 LYS 29 HE3 LYS 29 3.698 6.803 -2.772 225 HZ1 LYS 29 HZ1 LYS 29 4.546 4.681 -4.664 226 HZ2 LYS 29 HZ2 LYS 29 4.594 4.592 -2.977 227 HZ3 LYS 29 HZ3 LYS 29 5.589 5.683 -3.795 228 H ASP 30 H ASP 30 -0.405 7.475 -3.911 229 HA ASP 30 HA ASP 30 0.077 9.616 -4.474 230 HB2 ASP 30 HB2 ASP 30 2.067 8.440 -5.532 231 HB3 ASP 30 HB3 ASP 30 1.202 8.441 -7.060 232 H GLY 31 H GLY 31 -2.470 8.204 -5.436 233 HA2 GLY 31 HA2 GLY 31 -4.348 9.613 -6.162 234 HA3 GLY 31 HA3 GLY 31 -3.351 10.169 -7.495 235 H GLU 32 H GLU 32 -2.341 7.275 -7.907 236 HA GLU 32 HA GLU 32 -4.751 6.301 -9.348 237 HB2 GLU 32 HB2 GLU 32 -3.377 7.741 -10.860 238 HB3 GLU 32 HB3 GLU 32 -2.012 6.652 -10.645 239 HG2 GLU 32 HG2 GLU 32 -3.105 4.881 -11.820 240 HG3 GLU 32 HG3 GLU 32 -4.667 5.687 -11.737 241 H ARG 33 H ARG 33 -4.760 4.130 -9.991 242 HA ARG 33 HA ARG 33 -4.121 2.512 -7.808 243 HB2 ARG 33 HB2 ARG 33 -5.395 0.802 -8.798 244 HB3 ARG 33 HB3 ARG 33 -6.140 2.289 -9.343 245 HG2 ARG 33 HG2 ARG 33 -4.186 0.702 -11.020 246 HG3 ARG 33 HG3 ARG 33 -5.931 0.440 -11.071 247 HD2 ARG 33 HD2 ARG 33 -6.234 2.789 -11.807 248 HD3 ARG 33 HD3 ARG 33 -4.481 3.015 -11.781 249 HE ARG 33 HE ARG 33 -4.985 0.830 -13.426 250 HH11 ARG 33 HH11 ARG 33 -5.764 4.211 -13.466 251 HH12 ARG 33 HH12 ARG 33 -5.766 4.285 -15.187 252 HH21 ARG 33 HH21 ARG 33 -4.988 0.977 -15.618 253 HH22 ARG 33 HH22 ARG 33 -5.321 2.489 -16.388 254 H LEU 34 H LEU 34 -2.943 0.579 -7.564 255 HA LEU 34 HA LEU 34 -0.596 0.197 -9.322 256 HB2 LEU 34 HB2 LEU 34 -1.171 -0.979 -6.569 257 HB3 LEU 34 HB3 LEU 34 0.293 -1.253 -7.502 258 HG LEU 34 HG LEU 34 -0.601 1.342 -6.203 259 HD11 LEU 34 HD11 LEU 34 1.492 1.158 -4.942 260 HD12 LEU 34 HD12 LEU 34 1.832 -0.389 -5.724 261 HD13 LEU 34 HD13 LEU 34 0.429 -0.222 -4.666 262 HD21 LEU 34 HD21 LEU 34 1.470 2.366 -7.114 263 HD22 LEU 34 HD22 LEU 34 0.350 1.904 -8.390 264 HD23 LEU 34 HD23 LEU 34 1.768 0.904 -8.060 265 H ALA 35 H ALA 35 -0.041 -1.865 -10.089 266 HA ALA 35 HA ALA 35 -2.022 -4.061 -9.935 267 HB1 ALA 35 HB1 ALA 35 -1.513 -4.642 -12.287 268 HB2 ALA 35 HB2 ALA 35 -0.439 -3.245 -12.410 269 HB3 ALA 35 HB3 ALA 35 -2.169 -3.007 -12.171 270 H SER 36 H SER 36 -1.089 -6.164 -9.864 271 HA SER 36 HA SER 36 1.341 -6.476 -8.484 272 HB2 SER 36 HB2 SER 36 -0.469 -8.164 -8.376 273 HB3 SER 36 HB3 SER 36 -0.201 -8.587 -10.066 274 HG SER 36 HG SER 36 1.289 -9.899 -9.394 275 H GLN 37 H GLN 37 3.176 -5.721 -9.396 276 HA GLN 37 HA GLN 37 4.068 -6.709 -12.031 277 HB2 GLN 37 HB2 GLN 37 2.970 -4.465 -12.307 278 HB3 GLN 37 HB3 GLN 37 4.132 -3.779 -11.181 279 HG2 GLN 37 HG2 GLN 37 4.711 -3.253 -13.506 280 HG3 GLN 37 HG3 GLN 37 5.960 -4.228 -12.737 281 HE21 GLN 37 HE21 GLN 37 3.324 -4.278 -15.056 282 HE22 GLN 37 HE22 GLN 37 3.841 -5.691 -15.897 283 H GLY 38 H GLY 38 5.432 -8.084 -10.800 284 HA2 GLY 38 HA2 GLY 38 7.444 -8.791 -9.982 285 HA3 GLY 38 HA3 GLY 38 8.108 -7.290 -10.591 286 H ARG 39 H ARG 39 8.349 -5.529 -9.196 287 HA ARG 39 HA ARG 39 8.955 -5.932 -6.472 288 HB2 ARG 39 HB2 ARG 39 8.306 -3.342 -7.949 289 HB3 ARG 39 HB3 ARG 39 9.103 -3.440 -6.379 290 HG2 ARG 39 HG2 ARG 39 11.073 -4.431 -7.338 291 HG3 ARG 39 HG3 ARG 39 10.267 -4.691 -8.888 292 HD2 ARG 39 HD2 ARG 39 10.923 -1.980 -7.679 293 HD3 ARG 39 HD3 ARG 39 11.831 -2.774 -8.971 294 HE ARG 39 HE ARG 39 9.169 -1.553 -9.172 295 HH11 ARG 39 HH11 ARG 39 11.715 -3.253 -10.812 296 HH12 ARG 39 HH12 ARG 39 11.073 -2.903 -12.379 297 HH21 ARG 39 HH21 ARG 39 8.362 -1.160 -11.202 298 HH22 ARG 39 HH22 ARG 39 9.196 -1.767 -12.590 299 H VAL 40 H VAL 40 6.086 -4.521 -8.043 300 HA VAL 40 HA VAL 40 4.616 -4.101 -5.587 301 HB VAL 40 HB VAL 40 3.618 -4.036 -8.479 302 HG11 VAL 40 HG11 VAL 40 1.718 -2.713 -7.616 303 HG12 VAL 40 HG12 VAL 40 2.324 -2.904 -5.971 304 HG13 VAL 40 HG13 VAL 40 1.766 -4.313 -6.872 305 HG21 VAL 40 HG21 VAL 40 5.418 -2.396 -8.117 306 HG22 VAL 40 HG22 VAL 40 4.569 -1.745 -6.713 307 HG23 VAL 40 HG23 VAL 40 3.867 -1.576 -8.324 308 H GLN 41 H GLN 41 4.057 -5.905 -4.482 309 HA GLN 41 HA GLN 41 3.023 -8.314 -5.866 310 HB2 GLN 41 HB2 GLN 41 4.252 -8.045 -3.083 311 HB3 GLN 41 HB3 GLN 41 3.729 -9.553 -3.833 312 HG2 GLN 41 HG2 GLN 41 5.453 -9.288 -5.576 313 HG3 GLN 41 HG3 GLN 41 5.965 -7.766 -4.851 314 HE21 GLN 41 HE21 GLN 41 8.082 -8.560 -4.557 315 HE22 GLN 41 HE22 GLN 41 8.464 -9.722 -3.340 316 H LEU 42 H LEU 42 0.866 -8.615 -5.712 317 HA LEU 42 HA LEU 42 -0.662 -7.378 -3.495 318 HB2 LEU 42 HB2 LEU 42 -1.448 -8.055 -6.349 319 HB3 LEU 42 HB3 LEU 42 -2.647 -7.670 -5.120 320 HG LEU 42 HG LEU 42 -0.422 -5.795 -6.027 321 HD11 LEU 42 HD11 LEU 42 -2.086 -6.067 -7.794 322 HD12 LEU 42 HD12 LEU 42 -2.190 -4.461 -7.078 323 HD13 LEU 42 HD13 LEU 42 -3.387 -5.690 -6.659 324 HD21 LEU 42 HD21 LEU 42 -2.733 -5.310 -4.117 325 HD22 LEU 42 HD22 LEU 42 -1.601 -4.085 -4.700 326 HD23 LEU 42 HD23 LEU 42 -1.020 -5.406 -3.692 327 H GLU 43 H GLU 43 -1.916 -8.567 -2.200 328 HA GLU 43 HA GLU 43 -2.557 -11.398 -2.797 329 HB2 GLU 43 HB2 GLU 43 -0.658 -11.351 -1.191 330 HB3 GLU 43 HB3 GLU 43 -1.578 -10.305 -0.118 331 HG2 GLU 43 HG2 GLU 43 -1.542 -12.592 0.724 332 HG3 GLU 43 HG3 GLU 43 -3.187 -12.103 0.316 333 H GLN 44 H GLN 44 -4.716 -11.184 -3.173 334 HA GLN 44 HA GLN 44 -6.378 -9.534 -1.366 335 HB2 GLN 44 HB2 GLN 44 -8.140 -9.744 -3.176 336 HB3 GLN 44 HB3 GLN 44 -6.697 -8.850 -3.633 337 HG2 GLN 44 HG2 GLN 44 -5.870 -10.798 -4.893 338 HG3 GLN 44 HG3 GLN 44 -7.284 -11.728 -4.395 339 HE21 GLN 44 HE21 GLN 44 -7.847 -12.068 -6.589 340 HE22 GLN 44 HE22 GLN 44 -8.547 -10.817 -7.549 341 H ALA 45 H ALA 45 -7.005 -10.722 0.335 342 HA ALA 45 HA ALA 45 -8.393 -13.316 -0.101 343 HB1 ALA 45 HB1 ALA 45 -6.147 -13.708 0.862 344 HB2 ALA 45 HB2 ALA 45 -7.416 -14.155 2.003 345 HB3 ALA 45 HB3 ALA 45 -6.532 -12.640 2.215 346 H GLY 46 H GLY 46 -10.302 -11.897 -0.208 347 HA2 GLY 46 HA2 GLY 46 -12.271 -11.081 0.676 348 HA3 GLY 46 HA3 GLY 46 -11.733 -11.614 2.261 349 H ALA 47 H ALA 47 -11.547 -9.985 3.702 350 HA ALA 47 HA ALA 47 -11.163 -7.198 2.898 351 HB1 ALA 47 HB1 ALA 47 -12.766 -7.757 4.697 352 HB2 ALA 47 HB2 ALA 47 -11.490 -6.691 5.285 353 HB3 ALA 47 HB3 ALA 47 -11.450 -8.413 5.675 354 H ARG 48 H ARG 48 -9.234 -9.854 4.083 355 HA ARG 48 HA ARG 48 -6.927 -8.375 4.954 356 HB2 ARG 48 HB2 ARG 48 -7.306 -10.665 5.755 357 HB3 ARG 48 HB3 ARG 48 -7.256 -11.288 4.110 358 HG2 ARG 48 HG2 ARG 48 -4.842 -10.620 3.969 359 HG3 ARG 48 HG3 ARG 48 -4.916 -10.109 5.661 360 HD2 ARG 48 HD2 ARG 48 -5.434 -12.400 6.361 361 HD3 ARG 48 HD3 ARG 48 -5.501 -12.926 4.674 362 HE ARG 48 HE ARG 48 -2.976 -11.797 5.645 363 HH11 ARG 48 HH11 ARG 48 -4.724 -14.652 4.736 364 HH12 ARG 48 HH12 ARG 48 -3.302 -15.626 4.670 365 HH21 ARG 48 HH21 ARG 48 -1.177 -13.081 5.568 366 HH22 ARG 48 HH22 ARG 48 -1.321 -14.754 5.154 367 H GLN 49 H GLN 49 -6.461 -6.906 3.318 368 HA GLN 49 HA GLN 49 -5.519 -7.904 0.695 369 HB2 GLN 49 HB2 GLN 49 -6.134 -5.085 1.681 370 HB3 GLN 49 HB3 GLN 49 -5.556 -5.468 0.060 371 HG2 GLN 49 HG2 GLN 49 -8.160 -6.484 1.246 372 HG3 GLN 49 HG3 GLN 49 -8.018 -5.073 0.204 373 HE21 GLN 49 HE21 GLN 49 -9.492 -7.615 -0.185 374 HE22 GLN 49 HE22 GLN 49 -8.929 -8.236 -1.693 375 H VAL 50 H VAL 50 -3.353 -7.745 0.124 376 HA VAL 50 HA VAL 50 -1.528 -6.270 1.923 377 HB VAL 50 HB VAL 50 -0.918 -8.996 0.703 378 HG11 VAL 50 HG11 VAL 50 1.244 -8.875 1.919 379 HG12 VAL 50 HG12 VAL 50 0.862 -7.231 2.434 380 HG13 VAL 50 HG13 VAL 50 1.106 -7.583 0.723 381 HG21 VAL 50 HG21 VAL 50 -1.255 -8.218 3.627 382 HG22 VAL 50 HG22 VAL 50 -0.797 -9.816 3.030 383 HG23 VAL 50 HG23 VAL 50 -2.400 -9.170 2.674 384 H LEU 51 H LEU 51 -0.475 -4.738 0.896 385 HA LEU 51 HA LEU 51 0.398 -5.106 -1.918 386 HB2 LEU 51 HB2 LEU 51 -1.181 -3.255 -1.712 387 HB3 LEU 51 HB3 LEU 51 -0.273 -2.552 -0.402 388 HG LEU 51 HG LEU 51 -0.157 -1.398 -2.713 389 HD11 LEU 51 HD11 LEU 51 2.144 -0.694 -2.464 390 HD12 LEU 51 HD12 LEU 51 2.489 -2.063 -1.404 391 HD13 LEU 51 HD13 LEU 51 1.359 -0.809 -0.889 392 HD21 LEU 51 HD21 LEU 51 1.738 -3.676 -3.342 393 HD22 LEU 51 HD22 LEU 51 1.450 -2.235 -4.328 394 HD23 LEU 51 HD23 LEU 51 0.158 -3.400 -4.077 395 H ARG 52 H ARG 52 2.506 -5.435 -2.109 396 HA ARG 52 HA ARG 52 4.404 -4.359 -0.092 397 HB2 ARG 52 HB2 ARG 52 4.744 -6.881 -1.789 398 HB3 ARG 52 HB3 ARG 52 5.859 -6.281 -0.561 399 HG2 ARG 52 HG2 ARG 52 4.052 -6.643 1.158 400 HG3 ARG 52 HG3 ARG 52 3.065 -7.380 -0.102 401 HD2 ARG 52 HD2 ARG 52 4.007 -9.347 0.522 402 HD3 ARG 52 HD3 ARG 52 5.468 -8.804 -0.288 403 HE ARG 52 HE ARG 52 5.052 -9.143 2.518 404 HH11 ARG 52 HH11 ARG 52 6.900 -7.187 0.328 405 HH12 ARG 52 HH12 ARG 52 8.148 -6.929 1.488 406 HH21 ARG 52 HH21 ARG 52 6.670 -8.808 3.928 407 HH22 ARG 52 HH22 ARG 52 8.041 -7.856 3.468 408 H VAL 53 H VAL 53 5.981 -3.004 -0.895 409 HA VAL 53 HA VAL 53 6.578 -3.080 -3.811 410 HB VAL 53 HB VAL 53 6.933 -0.700 -1.932 411 HG11 VAL 53 HG11 VAL 53 7.376 -0.882 -4.941 412 HG12 VAL 53 HG12 VAL 53 8.627 -0.695 -3.711 413 HG13 VAL 53 HG13 VAL 53 7.462 0.601 -3.984 414 HG21 VAL 53 HG21 VAL 53 4.541 -1.109 -2.382 415 HG22 VAL 53 HG22 VAL 53 4.849 -1.107 -4.119 416 HG23 VAL 53 HG23 VAL 53 5.080 0.370 -3.181 417 H GLN 54 H GLN 54 8.222 -4.490 -3.885 418 HA GLN 54 HA GLN 54 10.299 -4.684 -1.905 419 HB2 GLN 54 HB2 GLN 54 9.406 -6.653 -3.142 420 HB3 GLN 54 HB3 GLN 54 10.068 -6.005 -4.639 421 HG2 GLN 54 HG2 GLN 54 12.350 -6.202 -3.689 422 HG3 GLN 54 HG3 GLN 54 11.672 -6.908 -2.223 423 HE21 GLN 54 HE21 GLN 54 10.737 -9.022 -2.358 424 HE22 GLN 54 HE22 GLN 54 11.141 -10.090 -3.654 425 H GLY 55 H GLY 55 11.995 -3.313 -1.804 426 HA2 GLY 55 HA2 GLY 55 14.000 -2.352 -2.630 427 HA3 GLY 55 HA3 GLY 55 13.351 -2.375 -4.260 428 H ALA 56 H ALA 56 12.244 -1.032 -1.142 429 HA ALA 56 HA ALA 56 11.307 1.450 -2.257 430 HB1 ALA 56 HB1 ALA 56 11.740 0.647 0.646 431 HB2 ALA 56 HB2 ALA 56 10.249 0.432 -0.275 432 HB3 ALA 56 HB3 ALA 56 10.831 2.057 0.088 433 H ARG 57 H ARG 57 12.111 3.625 -1.596 434 HA ARG 57 HA ARG 57 14.575 3.995 -0.214 435 HB2 ARG 57 HB2 ARG 57 15.526 3.267 -2.415 436 HB3 ARG 57 HB3 ARG 57 14.711 4.619 -3.196 437 HG2 ARG 57 HG2 ARG 57 16.034 6.173 -1.698 438 HG3 ARG 57 HG3 ARG 57 16.933 4.767 -1.130 439 HD2 ARG 57 HD2 ARG 57 16.827 5.768 -3.997 440 HD3 ARG 57 HD3 ARG 57 18.156 6.019 -2.859 441 HE ARG 57 HE ARG 57 17.565 3.246 -3.208 442 HH11 ARG 57 HH11 ARG 57 19.281 5.879 -4.673 443 HH12 ARG 57 HH12 ARG 57 20.317 4.827 -5.568 444 HH21 ARG 57 HH21 ARG 57 18.912 1.945 -4.347 445 HH22 ARG 57 HH22 ARG 57 20.115 2.630 -5.380 446 H SER 58 H SER 58 12.622 5.623 -2.751 447 HA SER 58 HA SER 58 11.945 7.786 -0.880 448 HB2 SER 58 HB2 SER 58 13.994 8.624 -1.985 449 HB3 SER 58 HB3 SER 58 13.274 8.349 -3.571 450 HG SER 58 HG SER 58 12.304 10.155 -1.583 451 H GLY 59 H GLY 59 11.572 6.584 -4.240 452 HA2 GLY 59 HA2 GLY 59 9.160 7.905 -4.873 453 HA3 GLY 59 HA3 GLY 59 9.771 6.461 -5.659 454 H ASP 60 H ASP 60 9.649 5.119 -2.880 455 HA ASP 60 HA ASP 60 7.037 3.967 -3.018 456 HB2 ASP 60 HB2 ASP 60 8.967 2.666 -2.273 457 HB3 ASP 60 HB3 ASP 60 9.261 3.782 -0.947 458 H ALA 61 H ALA 61 8.336 6.703 -1.281 459 HA ALA 61 HA ALA 61 6.509 6.687 0.941 460 HB1 ALA 61 HB1 ALA 61 8.314 8.928 -0.058 461 HB2 ALA 61 HB2 ALA 61 8.758 7.693 1.121 462 HB3 ALA 61 HB3 ALA 61 7.500 8.864 1.510 463 H GLY 62 H GLY 62 4.409 6.911 0.500 464 HA2 GLY 62 HA2 GLY 62 3.300 9.383 -0.303 465 HA3 GLY 62 HA3 GLY 62 3.233 8.251 -1.649 466 H GLU 63 H GLU 63 0.868 8.863 -1.222 467 HA GLU 63 HA GLU 63 -0.385 7.479 1.038 468 HB2 GLU 63 HB2 GLU 63 -1.862 8.990 -1.144 469 HB3 GLU 63 HB3 GLU 63 -2.400 8.604 0.483 470 HG2 GLU 63 HG2 GLU 63 -1.973 10.916 0.532 471 HG3 GLU 63 HG3 GLU 63 -0.559 10.202 1.303 472 H TYR 64 H TYR 64 -0.874 5.399 0.801 473 HA TYR 64 HA TYR 64 -1.635 4.244 -1.795 474 HB2 TYR 64 HB2 TYR 64 -0.779 2.964 0.828 475 HB3 TYR 64 HB3 TYR 64 -1.343 2.041 -0.561 476 HD1 TYR 64 HD2 TYR 64 1.376 4.401 0.556 477 HD2 TYR 64 HD1 TYR 64 0.153 1.477 -2.326 478 HE1 TYR 64 HE2 TYR 64 3.656 4.309 -0.347 479 HE2 TYR 64 HE1 TYR 64 2.433 1.412 -3.222 480 HH TYR 64 HH TYR 64 5.074 2.622 -1.628 481 H LEU 65 H LEU 65 -3.813 4.425 -2.140 482 HA LEU 65 HA LEU 65 -5.678 4.367 0.134 483 HB2 LEU 65 HB2 LEU 65 -5.972 6.178 -1.468 484 HB3 LEU 65 HB3 LEU 65 -6.079 5.040 -2.797 485 HG LEU 65 HG LEU 65 -8.234 4.170 -1.861 486 HD11 LEU 65 HD11 LEU 65 -9.412 5.424 -0.111 487 HD12 LEU 65 HD12 LEU 65 -7.981 6.422 0.152 488 HD13 LEU 65 HD13 LEU 65 -7.929 4.691 0.497 489 HD21 LEU 65 HD21 LEU 65 -8.261 5.865 -3.624 490 HD22 LEU 65 HD22 LEU 65 -8.200 7.153 -2.417 491 HD23 LEU 65 HD23 LEU 65 -9.613 6.098 -2.515 492 H CYS 66 H CYS 66 -5.920 2.254 0.758 493 HA CYS 66 HA CYS 66 -6.639 0.130 -1.085 494 HB2 CYS 66 HB2 CYS 66 -5.449 -0.290 1.099 495 HB3 CYS 66 HB3 CYS 66 -6.912 0.186 1.953 496 HG CYS 66 HG CYS 66 -6.887 -2.414 -0.265 497 H ASP 67 H ASP 67 -8.407 0.933 -2.197 498 HA ASP 67 HA ASP 67 -10.652 2.219 -0.945 499 HB2 ASP 67 HB2 ASP 67 -9.818 2.846 -3.187 500 HB3 ASP 67 HB3 ASP 67 -10.232 1.253 -3.800 501 H ALA 68 H ALA 68 -12.588 1.314 -0.332 502 HA ALA 68 HA ALA 68 -13.110 -1.540 -0.961 503 HB1 ALA 68 HB1 ALA 68 -13.419 -0.214 1.754 504 HB2 ALA 68 HB2 ALA 68 -12.172 -1.379 1.305 505 HB3 ALA 68 HB3 ALA 68 -13.864 -1.878 1.363 506 HA PRO 69 HA PRO 69 -17.075 -0.398 -2.613 507 HB2 PRO 69 HB2 PRO 69 -18.231 -2.543 -0.817 508 HB3 PRO 69 HB3 PRO 69 -18.501 -2.263 -2.546 509 HG2 PRO 69 HG2 PRO 69 -16.849 -4.192 -1.764 510 HG3 PRO 69 HG3 PRO 69 -16.415 -3.166 -3.148 511 HD2 PRO 69 HD2 PRO 69 -15.350 -3.118 -0.336 512 HD3 PRO 69 HD3 PRO 69 -14.505 -2.805 -1.868 513 H GLN 70 H GLN 70 -16.973 -0.714 0.906 514 HA GLN 70 HA GLN 70 -18.359 1.813 1.235 515 HB2 GLN 70 HB2 GLN 70 -20.243 0.164 1.229 516 HB3 GLN 70 HB3 GLN 70 -19.483 -0.703 2.555 517 HG2 GLN 70 HG2 GLN 70 -21.326 0.670 3.371 518 HG3 GLN 70 HG3 GLN 70 -19.796 1.245 4.028 519 HE21 GLN 70 HE21 GLN 70 -20.596 3.305 4.453 520 HE22 GLN 70 HE22 GLN 70 -20.989 4.438 3.211 521 H ASP 71 H ASP 71 -15.908 1.892 1.663 522 HA ASP 71 HA ASP 71 -15.591 2.541 4.394 523 HB2 ASP 71 HB2 ASP 71 -15.217 0.088 4.688 524 HB3 ASP 71 HB3 ASP 71 -13.903 0.146 3.520 525 H SER 72 H SER 72 -13.088 1.319 2.131 526 HA SER 72 HA SER 72 -11.250 2.180 1.171 527 HB2 SER 72 HB2 SER 72 -12.723 4.839 1.202 528 HB3 SER 72 HB3 SER 72 -11.267 4.483 0.268 529 HG SER 72 HG SER 72 -12.786 4.015 -1.162 530 H ARG 73 H ARG 73 -9.515 2.046 2.427 531 HA ARG 73 HA ARG 73 -9.122 3.880 4.712 532 HB2 ARG 73 HB2 ARG 73 -9.199 1.299 4.985 533 HB3 ARG 73 HB3 ARG 73 -7.629 1.282 4.205 534 HG2 ARG 73 HG2 ARG 73 -7.114 1.194 6.485 535 HG3 ARG 73 HG3 ARG 73 -6.880 2.898 6.091 536 HD2 ARG 73 HD2 ARG 73 -9.463 1.821 7.276 537 HD3 ARG 73 HD3 ARG 73 -8.125 2.377 8.271 538 HE ARG 73 HE ARG 73 -8.480 4.599 7.475 539 HH11 ARG 73 HH11 ARG 73 -10.989 2.497 6.290 540 HH12 ARG 73 HH12 ARG 73 -12.151 3.771 6.246 541 HH21 ARG 73 HH21 ARG 73 -10.027 6.180 7.419 542 HH22 ARG 73 HH22 ARG 73 -11.620 5.808 6.861 543 H ILE 74 H ILE 74 -7.316 5.200 4.807 544 HA ILE 74 HA ILE 74 -5.626 5.351 2.374 545 HB ILE 74 HB ILE 74 -6.077 7.441 4.552 546 HG12 ILE 74 HG12 ILE 74 -7.221 7.361 1.718 547 HG13 ILE 74 HG13 ILE 74 -8.130 6.996 3.179 548 HG21 ILE 74 HG21 ILE 74 -4.632 7.719 1.892 549 HG22 ILE 74 HG22 ILE 74 -3.883 7.710 3.491 550 HG23 ILE 74 HG23 ILE 74 -4.959 9.028 3.032 551 HD11 ILE 74 HD11 ILE 74 -6.927 9.672 2.455 552 HD12 ILE 74 HD12 ILE 74 -7.817 9.313 3.937 553 HD13 ILE 74 HD13 ILE 74 -8.630 9.220 2.377 554 H PHE 75 H PHE 75 -3.586 4.575 2.524 555 HA PHE 75 HA PHE 75 -2.302 4.205 5.151 556 HB2 PHE 75 HB2 PHE 75 -1.861 2.874 2.464 557 HB3 PHE 75 HB3 PHE 75 -0.686 2.721 3.763 558 HD1 PHE 75 HD2 PHE 75 -4.337 2.219 3.037 559 HD2 PHE 75 HD1 PHE 75 -0.940 0.988 5.325 560 HE1 PHE 75 HE2 PHE 75 -5.650 0.382 4.014 561 HE2 PHE 75 HE1 PHE 75 -2.264 -0.841 6.292 562 HZ PHE 75 HZ PHE 75 -4.610 -1.143 5.641 563 H LEU 76 H LEU 76 -1.275 6.049 5.662 564 HA LEU 76 HA LEU 76 0.226 7.625 3.737 565 HB2 LEU 76 HB2 LEU 76 0.030 7.904 6.768 566 HB3 LEU 76 HB3 LEU 76 0.688 9.103 5.662 567 HG LEU 76 HG LEU 76 -2.226 8.215 5.784 568 HD11 LEU 76 HD11 LEU 76 -2.698 10.463 6.646 569 HD12 LEU 76 HD12 LEU 76 -0.970 10.827 6.670 570 HD13 LEU 76 HD13 LEU 76 -1.622 9.568 7.720 571 HD21 LEU 76 HD21 LEU 76 -0.951 10.354 4.045 572 HD22 LEU 76 HD22 LEU 76 -2.681 10.019 4.176 573 HD23 LEU 76 HD23 LEU 76 -1.601 8.808 3.494 574 H VAL 77 H VAL 77 1.916 6.365 3.009 575 HA VAL 77 HA VAL 77 3.742 5.039 4.908 576 HB VAL 77 HB VAL 77 3.471 4.802 1.881 577 HG11 VAL 77 HG11 VAL 77 5.367 3.291 3.722 578 HG12 VAL 77 HG12 VAL 77 5.827 4.460 2.480 579 HG13 VAL 77 HG13 VAL 77 5.091 2.925 2.017 580 HG21 VAL 77 HG21 VAL 77 2.615 2.526 2.367 581 HG22 VAL 77 HG22 VAL 77 1.614 3.761 3.132 582 HG23 VAL 77 HG23 VAL 77 2.763 2.836 4.100 583 H SER 78 H SER 78 5.577 6.014 5.495 584 HA SER 78 HA SER 78 6.872 7.997 3.692 585 HB2 SER 78 HB2 SER 78 7.648 9.176 5.762 586 HB3 SER 78 HB3 SER 78 5.890 9.140 5.625 587 HG SER 78 HG SER 78 7.556 7.940 7.493 588 H VAL 79 H VAL 79 8.755 7.229 2.918 589 HA VAL 79 HA VAL 79 10.278 5.144 4.266 590 HB VAL 79 HB VAL 79 11.083 6.665 1.744 591 HG11 VAL 79 HG11 VAL 79 11.939 3.944 2.801 592 HG12 VAL 79 HG12 VAL 79 12.912 5.416 2.802 593 HG13 VAL 79 HG13 VAL 79 12.458 4.663 1.275 594 HG21 VAL 79 HG21 VAL 79 9.480 4.087 1.899 595 HG22 VAL 79 HG22 VAL 79 10.090 4.844 0.426 596 HG23 VAL 79 HG23 VAL 79 8.864 5.661 1.392 597 H GLU 80 H GLU 80 11.607 5.720 5.903 598 HA GLU 80 HA GLU 80 13.370 8.040 5.692 599 HB2 GLU 80 HB2 GLU 80 12.577 9.050 7.821 600 HB3 GLU 80 HB3 GLU 80 11.350 9.078 6.560 601 HG2 GLU 80 HG2 GLU 80 10.207 7.165 7.596 602 HG3 GLU 80 HG3 GLU 80 11.453 7.076 8.839 603 H GLU 81 H GLU 81 12.269 5.304 7.678 604 HA GLU 81 HA GLU 81 14.327 5.374 9.642 605 HB2 GLU 81 HB2 GLU 81 12.138 4.274 10.018 606 HB3 GLU 81 HB3 GLU 81 12.478 3.112 8.743 607 HG2 GLU 81 HG2 GLU 81 12.775 2.064 10.901 608 HG3 GLU 81 HG3 GLU 81 14.330 2.179 10.080 609 HA PRO 82 HA PRO 82 17.438 4.007 6.543 610 HB2 PRO 82 HB2 PRO 82 19.305 3.958 8.879 611 HB3 PRO 82 HB3 PRO 82 19.452 4.821 7.347 612 HG2 PRO 82 HG2 PRO 82 18.848 6.137 9.606 613 HG3 PRO 82 HG3 PRO 82 18.092 6.588 8.064 614 HD2 PRO 82 HD2 PRO 82 16.948 4.954 10.331 615 HD3 PRO 82 HD3 PRO 82 16.176 6.233 9.363 Start of MODEL 9 1 H MET 1 H1 MET 1 -5.679 7.778 10.297 2 HA MET 1 HA MET 1 -6.288 6.566 7.670 3 HB2 MET 1 HB2 MET 1 -4.168 8.608 8.467 4 HB3 MET 1 HB3 MET 1 -4.099 7.692 6.964 5 HG2 MET 1 HG2 MET 1 -5.014 9.937 6.605 6 HG3 MET 1 HG3 MET 1 -6.207 8.693 6.223 7 HE1 MET 1 HE1 MET 1 -7.291 11.592 6.492 8 HE2 MET 1 HE2 MET 1 -8.646 11.378 7.600 9 HE3 MET 1 HE3 MET 1 -8.346 10.183 6.339 10 H THR 2 H THR 2 -5.152 4.742 7.183 11 HA THR 2 HA THR 2 -3.869 3.305 9.359 12 HB THR 2 HB THR 2 -4.316 2.381 6.474 13 HG1 THR 2 HG1 THR 2 -6.199 1.319 7.545 14 HG21 THR 2 HG21 THR 2 -3.870 0.790 9.035 15 HG22 THR 2 HG22 THR 2 -2.783 0.879 7.643 16 HG23 THR 2 HG23 THR 2 -4.360 0.086 7.490 17 H ARG 3 H ARG 3 -1.922 4.491 9.668 18 HA ARG 3 HA ARG 3 -0.131 5.120 7.458 19 HB2 ARG 3 HB2 ARG 3 0.171 5.598 10.450 20 HB3 ARG 3 HB3 ARG 3 1.199 6.286 9.191 21 HG2 ARG 3 HG2 ARG 3 -0.737 7.532 8.288 22 HG3 ARG 3 HG3 ARG 3 -1.774 6.830 9.535 23 HD2 ARG 3 HD2 ARG 3 0.634 8.612 10.055 24 HD3 ARG 3 HD3 ARG 3 -1.051 9.139 10.080 25 HE ARG 3 HE ARG 3 -1.274 7.331 11.897 26 HH11 ARG 3 HH11 ARG 3 1.560 9.274 11.526 27 HH12 ARG 3 HH12 ARG 3 1.949 9.190 13.208 28 HH21 ARG 3 HH21 ARG 3 -0.757 7.234 14.014 29 HH22 ARG 3 HH22 ARG 3 0.653 8.050 14.595 30 H VAL 4 H VAL 4 1.868 4.233 7.031 31 HA VAL 4 HA VAL 4 2.984 2.098 8.767 32 HB VAL 4 HB VAL 4 2.759 1.898 5.716 33 HG11 VAL 4 HG11 VAL 4 3.712 -0.386 5.960 34 HG12 VAL 4 HG12 VAL 4 3.937 -0.104 7.688 35 HG13 VAL 4 HG13 VAL 4 4.843 0.854 6.515 36 HG21 VAL 4 HG21 VAL 4 0.568 1.454 6.752 37 HG22 VAL 4 HG22 VAL 4 1.300 0.263 7.830 38 HG23 VAL 4 HG23 VAL 4 1.251 -0.038 6.092 39 H ARG 5 H ARG 5 5.254 2.097 8.867 40 HA ARG 5 HA ARG 5 6.788 3.826 7.017 41 HB2 ARG 5 HB2 ARG 5 6.686 5.103 9.080 42 HB3 ARG 5 HB3 ARG 5 7.097 3.693 10.050 43 HG2 ARG 5 HG2 ARG 5 9.370 3.679 9.165 44 HG3 ARG 5 HG3 ARG 5 8.988 4.982 8.044 45 HD2 ARG 5 HD2 ARG 5 8.807 5.325 11.052 46 HD3 ARG 5 HD3 ARG 5 10.303 5.604 10.149 47 HE ARG 5 HE ARG 5 7.967 7.043 9.185 48 HH11 ARG 5 HH11 ARG 5 10.771 7.189 11.203 49 HH12 ARG 5 HH12 ARG 5 10.797 8.912 11.210 50 HH21 ARG 5 HH21 ARG 5 8.055 9.252 9.188 51 HH22 ARG 5 HH22 ARG 5 9.296 10.064 10.074 52 H SER 6 H SER 6 8.768 3.060 6.352 53 HA SER 6 HA SER 6 10.017 0.730 7.621 54 HB2 SER 6 HB2 SER 6 8.589 -0.266 5.839 55 HB3 SER 6 HB3 SER 6 9.384 0.748 4.634 56 HG SER 6 HG SER 6 10.799 -0.800 4.519 57 H THR 7 H THR 7 12.222 0.294 6.440 58 HA THR 7 HA THR 7 13.723 2.753 6.580 59 HB THR 7 HB THR 7 15.729 1.209 6.087 60 HG1 THR 7 HG1 THR 7 13.778 -0.840 6.451 61 HG21 THR 7 HG21 THR 7 13.991 0.555 8.487 62 HG22 THR 7 HG22 THR 7 15.137 1.897 8.363 63 HG23 THR 7 HG23 THR 7 15.724 0.232 8.335 64 HA PRO 8 HA PRO 8 13.936 3.845 2.317 65 HB2 PRO 8 HB2 PRO 8 16.105 5.440 2.234 66 HB3 PRO 8 HB3 PRO 8 14.712 5.834 3.255 67 HG2 PRO 8 HG2 PRO 8 17.296 4.525 4.064 68 HG3 PRO 8 HG3 PRO 8 16.446 5.896 4.814 69 HD2 PRO 8 HD2 PRO 8 16.192 3.325 5.720 70 HD3 PRO 8 HD3 PRO 8 14.900 4.532 5.871 71 H GLY 9 H GLY 9 14.229 2.323 0.829 72 HA2 GLY 9 HA2 GLY 9 15.583 1.370 -0.920 73 HA3 GLY 9 HA3 GLY 9 16.931 1.258 0.202 74 H GLY 10 H GLY 10 14.428 0.321 2.044 75 HA2 GLY 10 HA2 GLY 10 15.039 -2.528 1.738 76 HA3 GLY 10 HA3 GLY 10 14.174 -1.768 3.065 77 H ASP 11 H ASP 11 12.642 -3.542 2.863 78 HA ASP 11 HA ASP 11 10.917 -3.711 0.538 79 HB2 ASP 11 HB2 ASP 11 9.734 -5.427 1.780 80 HB3 ASP 11 HB3 ASP 11 11.459 -5.678 2.035 81 H LEU 12 H LEU 12 8.546 -3.286 0.677 82 HA LEU 12 HA LEU 12 7.633 -1.660 2.979 83 HB2 LEU 12 HB2 LEU 12 8.023 -0.141 1.046 84 HB3 LEU 12 HB3 LEU 12 6.929 -1.103 0.069 85 HG LEU 12 HG LEU 12 5.044 -0.482 1.570 86 HD11 LEU 12 HD11 LEU 12 5.324 1.251 3.292 87 HD12 LEU 12 HD12 LEU 12 7.066 1.260 3.018 88 HD13 LEU 12 HD13 LEU 12 6.280 -0.182 3.666 89 HD21 LEU 12 HD21 LEU 12 5.491 0.865 -0.445 90 HD22 LEU 12 HD22 LEU 12 6.554 1.924 0.489 91 HD23 LEU 12 HD23 LEU 12 4.830 1.855 0.857 92 H GLU 13 H GLU 13 6.173 -2.953 3.984 93 HA GLU 13 HA GLU 13 4.197 -4.413 2.321 94 HB2 GLU 13 HB2 GLU 13 5.816 -5.998 3.388 95 HB3 GLU 13 HB3 GLU 13 5.347 -5.389 4.973 96 HG2 GLU 13 HG2 GLU 13 3.064 -6.181 4.659 97 HG3 GLU 13 HG3 GLU 13 3.439 -6.697 3.018 98 H LEU 14 H LEU 14 2.351 -3.320 2.525 99 HA LEU 14 HA LEU 14 1.533 -2.052 5.031 100 HB2 LEU 14 HB2 LEU 14 -0.098 -2.239 2.463 101 HB3 LEU 14 HB3 LEU 14 -0.272 -1.080 3.777 102 HG LEU 14 HG LEU 14 1.905 -1.169 1.651 103 HD11 LEU 14 HD11 LEU 14 1.090 1.052 1.055 104 HD12 LEU 14 HD12 LEU 14 -0.131 0.973 2.328 105 HD13 LEU 14 HD13 LEU 14 -0.202 -0.143 0.960 106 HD21 LEU 14 HD21 LEU 14 1.830 0.671 4.065 107 HD22 LEU 14 HD22 LEU 14 2.944 0.792 2.699 108 HD23 LEU 14 HD23 LEU 14 3.007 -0.609 3.763 109 H VAL 15 H VAL 15 0.853 -3.551 6.500 110 HA VAL 15 HA VAL 15 -0.715 -5.902 5.711 111 HB VAL 15 HB VAL 15 0.181 -5.037 8.511 112 HG11 VAL 15 HG11 VAL 15 -0.873 -7.731 7.536 113 HG12 VAL 15 HG12 VAL 15 -1.735 -6.595 8.578 114 HG13 VAL 15 HG13 VAL 15 -0.274 -7.393 9.163 115 HG21 VAL 15 HG21 VAL 15 2.011 -6.692 8.282 116 HG22 VAL 15 HG22 VAL 15 2.143 -5.427 7.058 117 HG23 VAL 15 HG23 VAL 15 1.519 -7.019 6.617 118 H VAL 16 H VAL 16 -2.825 -5.564 5.390 119 HA VAL 16 HA VAL 16 -4.259 -3.420 6.872 120 HB VAL 16 HB VAL 16 -4.972 -4.474 4.106 121 HG11 VAL 16 HG11 VAL 16 -6.815 -3.342 5.253 122 HG12 VAL 16 HG12 VAL 16 -6.258 -2.387 3.877 123 HG13 VAL 16 HG13 VAL 16 -5.802 -1.918 5.516 124 HG21 VAL 16 HG21 VAL 16 -3.220 -2.092 4.762 125 HG22 VAL 16 HG22 VAL 16 -3.875 -2.455 3.167 126 HG23 VAL 16 HG23 VAL 16 -2.734 -3.569 3.923 127 H HIS 17 H HIS 17 -5.963 -4.006 8.047 128 HA HIS 17 HA HIS 17 -7.634 -6.306 7.304 129 HB2 HIS 17 HB2 HIS 17 -6.306 -5.927 10.021 130 HB3 HIS 17 HB3 HIS 17 -7.731 -6.945 9.805 131 HD1 HIS 17 HD1 HIS 17 -4.056 -6.833 9.092 132 HD2 HIS 17 HD2 HIS 17 -7.276 -9.358 8.411 133 HE1 HIS 17 HE1 HIS 17 -3.068 -8.956 8.194 134 HE2 HIS 17 HE2 HIS 17 -5.012 -10.525 8.017 135 H LEU 18 H LEU 18 -8.099 -3.581 6.865 136 HA LEU 18 HA LEU 18 -9.945 -2.414 8.618 137 HB2 LEU 18 HB2 LEU 18 -10.877 -1.283 6.510 138 HB3 LEU 18 HB3 LEU 18 -9.193 -1.043 6.874 139 HG LEU 18 HG LEU 18 -8.627 -2.776 5.112 140 HD11 LEU 18 HD11 LEU 18 -10.725 -3.984 4.926 141 HD12 LEU 18 HD12 LEU 18 -10.247 -3.317 3.367 142 HD13 LEU 18 HD13 LEU 18 -11.527 -2.540 4.304 143 HD21 LEU 18 HD21 LEU 18 -10.081 -0.296 4.145 144 HD22 LEU 18 HD22 LEU 18 -8.921 -1.244 3.210 145 HD23 LEU 18 HD23 LEU 18 -8.394 -0.391 4.657 146 H SER 19 H SER 19 -12.369 -2.120 8.105 147 HA SER 19 HA SER 19 -13.700 -4.551 8.626 148 HB2 SER 19 HB2 SER 19 -14.619 -2.384 9.357 149 HB3 SER 19 HB3 SER 19 -14.886 -1.908 7.681 150 HG SER 19 HG SER 19 -16.187 -3.963 9.143 151 H GLY 20 H GLY 20 -13.648 -2.552 5.653 152 HA2 GLY 20 HA2 GLY 20 -14.176 -2.979 3.454 153 HA3 GLY 20 HA3 GLY 20 -13.304 -4.461 3.742 154 HA PRO 21 HA PRO 21 -17.988 -5.628 4.415 155 HB2 PRO 21 HB2 PRO 21 -19.496 -3.275 3.351 156 HB3 PRO 21 HB3 PRO 21 -19.731 -4.194 4.839 157 HG2 PRO 21 HG2 PRO 21 -18.714 -1.712 4.910 158 HG3 PRO 21 HG3 PRO 21 -18.138 -2.972 6.025 159 HD2 PRO 21 HD2 PRO 21 -16.869 -1.993 3.458 160 HD3 PRO 21 HD3 PRO 21 -16.114 -2.299 5.043 161 H GLY 22 H GLY 22 -17.499 -7.069 2.776 162 HA2 GLY 22 HA2 GLY 22 -18.179 -8.149 0.801 163 HA3 GLY 22 HA3 GLY 22 -18.721 -6.616 0.140 164 H GLY 23 H GLY 23 -17.635 -7.051 -1.832 165 HA2 GLY 23 HA2 GLY 23 -14.919 -6.135 -2.006 166 HA3 GLY 23 HA3 GLY 23 -15.029 -7.873 -2.266 167 HA PRO 24 HA PRO 24 -13.273 -7.457 -3.782 168 HB2 PRO 24 HB2 PRO 24 -12.323 -6.134 -6.256 169 HB3 PRO 24 HB3 PRO 24 -12.197 -7.830 -5.778 170 HG2 PRO 24 HG2 PRO 24 -13.830 -7.041 -7.788 171 HG3 PRO 24 HG3 PRO 24 -14.257 -8.389 -6.711 172 HD2 PRO 24 HD2 PRO 24 -15.168 -5.500 -6.564 173 HD3 PRO 24 HD3 PRO 24 -16.148 -6.987 -6.490 174 H VAL 25 H VAL 25 -11.442 -6.317 -3.011 175 HA VAL 25 HA VAL 25 -11.709 -3.403 -2.646 176 HB VAL 25 HB VAL 25 -9.710 -5.317 -1.352 177 HG11 VAL 25 HG11 VAL 25 -10.418 -2.442 -0.646 178 HG12 VAL 25 HG12 VAL 25 -8.910 -2.991 -1.379 179 HG13 VAL 25 HG13 VAL 25 -9.317 -3.477 0.267 180 HG21 VAL 25 HG21 VAL 25 -12.326 -4.258 -0.201 181 HG22 VAL 25 HG22 VAL 25 -11.125 -5.197 0.688 182 HG23 VAL 25 HG23 VAL 25 -11.991 -5.931 -0.662 183 H ARG 26 H ARG 26 -10.381 -1.996 -3.693 184 HA ARG 26 HA ARG 26 -8.371 -3.017 -5.607 185 HB2 ARG 26 HB2 ARG 26 -9.868 -0.359 -5.556 186 HB3 ARG 26 HB3 ARG 26 -8.782 -0.910 -6.837 187 HG2 ARG 26 HG2 ARG 26 -10.312 -2.753 -7.375 188 HG3 ARG 26 HG3 ARG 26 -11.368 -2.295 -6.035 189 HD2 ARG 26 HD2 ARG 26 -11.767 -0.101 -7.166 190 HD3 ARG 26 HD3 ARG 26 -10.806 -0.671 -8.542 191 HE ARG 26 HE ARG 26 -12.980 -2.424 -7.788 192 HH11 ARG 26 HH11 ARG 26 -12.112 0.218 -9.831 193 HH12 ARG 26 HH12 ARG 26 -13.474 -0.012 -10.863 194 HH21 ARG 26 HH21 ARG 26 -14.692 -2.698 -9.111 195 HH22 ARG 26 HH22 ARG 26 -14.917 -1.646 -10.466 196 H TRP 27 H TRP 27 -6.304 -2.093 -5.718 197 HA TRP 27 HA TRP 27 -5.481 -0.352 -3.469 198 HB2 TRP 27 HB2 TRP 27 -4.010 -2.428 -5.108 199 HB3 TRP 27 HB3 TRP 27 -3.089 -1.124 -4.364 200 HD1 TRP 27 HD1 TRP 27 -4.775 -4.392 -3.505 201 HE1 TRP 27 HE1 TRP 27 -4.420 -4.881 -1.011 202 HE3 TRP 27 HE3 TRP 27 -2.966 0.164 -2.051 203 HZ2 TRP 27 HZ2 TRP 27 -3.504 -3.497 1.290 204 HZ3 TRP 27 HZ3 TRP 27 -2.380 0.514 0.316 205 HH2 TRP 27 HH2 TRP 27 -2.649 -1.283 1.951 206 H TYR 28 H TYR 28 -4.808 1.644 -3.803 207 HA TYR 28 HA TYR 28 -4.029 2.591 -6.499 208 HB2 TYR 28 HB2 TYR 28 -5.687 4.088 -4.428 209 HB3 TYR 28 HB3 TYR 28 -5.049 4.815 -5.894 210 HD1 TYR 28 HD2 TYR 28 -7.572 2.451 -4.544 211 HD2 TYR 28 HD1 TYR 28 -6.139 4.414 -8.060 212 HE1 TYR 28 HE2 TYR 28 -9.629 1.833 -5.739 213 HE2 TYR 28 HE1 TYR 28 -8.204 3.805 -9.241 214 HH TYR 28 HH TYR 28 -10.957 2.642 -7.639 215 H LYS 29 H LYS 29 -2.676 4.540 -6.440 216 HA LYS 29 HA LYS 29 -1.301 5.251 -3.962 217 HB2 LYS 29 HB2 LYS 29 0.137 3.470 -4.576 218 HB3 LYS 29 HB3 LYS 29 0.077 3.857 -6.276 219 HG2 LYS 29 HG2 LYS 29 2.269 4.391 -5.375 220 HG3 LYS 29 HG3 LYS 29 1.455 5.870 -5.878 221 HD2 LYS 29 HD2 LYS 29 0.904 6.397 -3.541 222 HD3 LYS 29 HD3 LYS 29 1.624 4.875 -3.003 223 HE2 LYS 29 HE2 LYS 29 3.095 7.193 -4.309 224 HE3 LYS 29 HE3 LYS 29 3.163 6.736 -2.607 225 HZ1 LYS 29 HZ1 LYS 29 4.088 5.054 -4.873 226 HZ2 LYS 29 HZ2 LYS 29 4.187 4.647 -3.233 227 HZ3 LYS 29 HZ3 LYS 29 5.079 5.947 -3.839 228 H ASP 30 H ASP 30 -1.492 7.371 -3.966 229 HA ASP 30 HA ASP 30 -1.144 9.550 -4.373 230 HB2 ASP 30 HB2 ASP 30 1.037 8.858 -5.331 231 HB3 ASP 30 HB3 ASP 30 0.288 8.676 -6.912 232 H GLY 31 H GLY 31 -2.750 7.683 -6.814 233 HA2 GLY 31 HA2 GLY 31 -4.896 9.180 -7.430 234 HA3 GLY 31 HA3 GLY 31 -3.652 9.914 -8.439 235 H GLU 32 H GLU 32 -2.525 6.914 -8.409 236 HA GLU 32 HA GLU 32 -4.355 5.817 -10.477 237 HB2 GLU 32 HB2 GLU 32 -2.349 6.815 -11.565 238 HB3 GLU 32 HB3 GLU 32 -1.297 5.793 -10.591 239 HG2 GLU 32 HG2 GLU 32 -2.320 3.778 -11.650 240 HG3 GLU 32 HG3 GLU 32 -3.319 4.832 -12.651 241 H ARG 33 H ARG 33 -4.754 3.676 -10.340 242 HA ARG 33 HA ARG 33 -4.302 2.188 -8.015 243 HB2 ARG 33 HB2 ARG 33 -5.446 0.382 -9.072 244 HB3 ARG 33 HB3 ARG 33 -6.171 1.840 -9.720 245 HG2 ARG 33 HG2 ARG 33 -4.036 0.248 -11.164 246 HG3 ARG 33 HG3 ARG 33 -5.768 -0.004 -11.409 247 HD2 ARG 33 HD2 ARG 33 -6.000 2.284 -12.243 248 HD3 ARG 33 HD3 ARG 33 -4.301 2.611 -11.898 249 HE ARG 33 HE ARG 33 -4.309 0.461 -13.624 250 HH11 ARG 33 HH11 ARG 33 -5.473 3.729 -13.753 251 HH12 ARG 33 HH12 ARG 33 -5.233 3.854 -15.459 252 HH21 ARG 33 HH21 ARG 33 -4.015 0.656 -15.800 253 HH22 ARG 33 HH22 ARG 33 -4.413 2.137 -16.602 254 H LEU 34 H LEU 34 -3.009 0.353 -7.554 255 HA LEU 34 HA LEU 34 -0.521 0.050 -9.087 256 HB2 LEU 34 HB2 LEU 34 -1.404 -1.172 -6.442 257 HB3 LEU 34 HB3 LEU 34 0.153 -1.471 -7.204 258 HG LEU 34 HG LEU 34 -0.836 1.157 -6.048 259 HD11 LEU 34 HD11 LEU 34 -0.037 -0.382 -4.376 260 HD12 LEU 34 HD12 LEU 34 1.066 0.978 -4.548 261 HD13 LEU 34 HD13 LEU 34 1.483 -0.587 -5.251 262 HD21 LEU 34 HD21 LEU 34 1.346 2.131 -6.721 263 HD22 LEU 34 HD22 LEU 34 0.373 1.673 -8.112 264 HD23 LEU 34 HD23 LEU 34 1.723 0.651 -7.609 265 H ALA 35 H ALA 35 -0.115 -1.623 -10.403 266 HA ALA 35 HA ALA 35 -1.995 -3.894 -10.621 267 HB1 ALA 35 HB1 ALA 35 -0.914 -4.316 -12.795 268 HB2 ALA 35 HB2 ALA 35 0.253 -3.024 -12.491 269 HB3 ALA 35 HB3 ALA 35 -1.458 -2.642 -12.693 270 H SER 36 H SER 36 -1.022 -6.085 -10.919 271 HA SER 36 HA SER 36 0.920 -6.753 -8.929 272 HB2 SER 36 HB2 SER 36 0.717 -9.089 -9.852 273 HB3 SER 36 HB3 SER 36 -0.839 -8.354 -9.475 274 HG SER 36 HG SER 36 0.306 -8.372 -12.080 275 H GLN 37 H GLN 37 2.777 -5.618 -9.394 276 HA GLN 37 HA GLN 37 4.338 -6.188 -11.838 277 HB2 GLN 37 HB2 GLN 37 3.926 -3.812 -11.018 278 HB3 GLN 37 HB3 GLN 37 4.858 -4.201 -9.579 279 HG2 GLN 37 HG2 GLN 37 6.838 -4.635 -11.058 280 HG3 GLN 37 HG3 GLN 37 5.875 -4.086 -12.431 281 HE21 GLN 37 HE21 GLN 37 8.345 -2.954 -11.356 282 HE22 GLN 37 HE22 GLN 37 7.989 -1.313 -10.955 283 H GLY 38 H GLY 38 6.720 -6.660 -11.511 284 HA2 GLY 38 HA2 GLY 38 7.310 -8.853 -9.874 285 HA3 GLY 38 HA3 GLY 38 8.506 -7.802 -10.618 286 H ARG 39 H ARG 39 8.039 -5.403 -9.281 287 HA ARG 39 HA ARG 39 9.002 -5.809 -6.580 288 HB2 ARG 39 HB2 ARG 39 8.078 -3.268 -7.994 289 HB3 ARG 39 HB3 ARG 39 8.819 -3.303 -6.395 290 HG2 ARG 39 HG2 ARG 39 10.906 -4.177 -7.372 291 HG3 ARG 39 HG3 ARG 39 10.163 -4.177 -8.975 292 HD2 ARG 39 HD2 ARG 39 11.587 -2.205 -8.692 293 HD3 ARG 39 HD3 ARG 39 9.899 -1.715 -8.853 294 HE ARG 39 HE ARG 39 11.328 -1.856 -6.258 295 HH11 ARG 39 HH11 ARG 39 9.115 -0.178 -8.323 296 HH12 ARG 39 HH12 ARG 39 8.867 1.093 -7.181 297 HH21 ARG 39 HH21 ARG 39 10.971 -0.215 -4.835 298 HH22 ARG 39 HH22 ARG 39 9.904 1.078 -5.256 299 H VAL 40 H VAL 40 6.012 -4.483 -8.012 300 HA VAL 40 HA VAL 40 4.728 -4.086 -5.438 301 HB VAL 40 HB VAL 40 3.705 -3.556 -8.265 302 HG11 VAL 40 HG11 VAL 40 2.554 -2.594 -5.624 303 HG12 VAL 40 HG12 VAL 40 1.827 -3.797 -6.690 304 HG13 VAL 40 HG13 VAL 40 1.987 -2.125 -7.229 305 HG21 VAL 40 HG21 VAL 40 4.924 -1.620 -6.252 306 HG22 VAL 40 HG22 VAL 40 4.264 -1.184 -7.831 307 HG23 VAL 40 HG23 VAL 40 5.701 -2.202 -7.729 308 H GLN 41 H GLN 41 4.534 -6.246 -4.721 309 HA GLN 41 HA GLN 41 2.890 -8.227 -6.033 310 HB2 GLN 41 HB2 GLN 41 3.785 -8.143 -3.124 311 HB3 GLN 41 HB3 GLN 41 3.252 -9.556 -4.031 312 HG2 GLN 41 HG2 GLN 41 5.283 -9.393 -5.432 313 HG3 GLN 41 HG3 GLN 41 5.821 -8.001 -4.488 314 HE21 GLN 41 HE21 GLN 41 6.518 -8.355 -2.315 315 HE22 GLN 41 HE22 GLN 41 6.936 -9.934 -1.751 316 H LEU 42 H LEU 42 0.675 -8.525 -5.770 317 HA LEU 42 HA LEU 42 -0.746 -7.028 -3.622 318 HB2 LEU 42 HB2 LEU 42 -1.658 -7.629 -6.455 319 HB3 LEU 42 HB3 LEU 42 -2.765 -7.098 -5.197 320 HG LEU 42 HG LEU 42 -0.443 -5.501 -6.363 321 HD11 LEU 42 HD11 LEU 42 -3.435 -5.003 -6.441 322 HD12 LEU 42 HD12 LEU 42 -2.440 -5.563 -7.792 323 HD13 LEU 42 HD13 LEU 42 -2.185 -3.954 -7.119 324 HD21 LEU 42 HD21 LEU 42 -2.305 -4.734 -4.088 325 HD22 LEU 42 HD22 LEU 42 -1.155 -3.654 -4.880 326 HD23 LEU 42 HD23 LEU 42 -0.570 -5.040 -3.965 327 H GLU 43 H GLU 43 -2.551 -7.987 -2.644 328 HA GLU 43 HA GLU 43 -3.067 -10.866 -3.129 329 HB2 GLU 43 HB2 GLU 43 -2.795 -9.412 -0.479 330 HB3 GLU 43 HB3 GLU 43 -3.725 -10.903 -0.603 331 HG2 GLU 43 HG2 GLU 43 -1.707 -12.067 -1.455 332 HG3 GLU 43 HG3 GLU 43 -0.783 -10.579 -1.250 333 H GLN 44 H GLN 44 -5.019 -11.052 -4.004 334 HA GLN 44 HA GLN 44 -7.184 -9.150 -3.412 335 HB2 GLN 44 HB2 GLN 44 -8.355 -10.356 -5.328 336 HB3 GLN 44 HB3 GLN 44 -6.881 -9.495 -5.751 337 HG2 GLN 44 HG2 GLN 44 -5.641 -11.658 -5.718 338 HG3 GLN 44 HG3 GLN 44 -7.155 -12.500 -5.392 339 HE21 GLN 44 HE21 GLN 44 -8.697 -12.659 -7.067 340 HE22 GLN 44 HE22 GLN 44 -8.283 -12.356 -8.714 341 H ALA 45 H ALA 45 -8.568 -9.612 -1.798 342 HA ALA 45 HA ALA 45 -9.651 -12.278 -1.364 343 HB1 ALA 45 HB1 ALA 45 -8.891 -12.489 0.974 344 HB2 ALA 45 HB2 ALA 45 -7.953 -10.999 0.823 345 HB3 ALA 45 HB3 ALA 45 -7.518 -12.417 -0.132 346 H GLY 46 H GLY 46 -9.255 -9.296 0.606 347 HA2 GLY 46 HA2 GLY 46 -11.191 -7.748 0.888 348 HA3 GLY 46 HA3 GLY 46 -12.224 -9.173 0.976 349 H ALA 47 H ALA 47 -11.701 -6.975 2.984 350 HA ALA 47 HA ALA 47 -11.111 -6.502 5.115 351 HB1 ALA 47 HB1 ALA 47 -11.185 -8.258 6.844 352 HB2 ALA 47 HB2 ALA 47 -11.177 -9.505 5.592 353 HB3 ALA 47 HB3 ALA 47 -12.550 -8.405 5.735 354 H ARG 48 H ARG 48 -9.235 -9.556 4.742 355 HA ARG 48 HA ARG 48 -6.704 -8.345 5.303 356 HB2 ARG 48 HB2 ARG 48 -6.956 -10.743 5.691 357 HB3 ARG 48 HB3 ARG 48 -7.377 -11.022 4.002 358 HG2 ARG 48 HG2 ARG 48 -5.088 -10.283 3.330 359 HG3 ARG 48 HG3 ARG 48 -4.677 -10.061 5.030 360 HD2 ARG 48 HD2 ARG 48 -4.860 -12.430 5.444 361 HD3 ARG 48 HD3 ARG 48 -5.510 -12.718 3.824 362 HE ARG 48 HE ARG 48 -3.219 -11.746 3.089 363 HH11 ARG 48 HH11 ARG 48 -3.653 -13.828 5.830 364 HH12 ARG 48 HH12 ARG 48 -2.051 -14.464 5.710 365 HH21 ARG 48 HH21 ARG 48 -1.211 -12.558 2.979 366 HH22 ARG 48 HH22 ARG 48 -0.690 -13.750 4.122 367 H GLN 49 H GLN 49 -5.815 -6.918 4.000 368 HA GLN 49 HA GLN 49 -5.363 -7.540 1.143 369 HB2 GLN 49 HB2 GLN 49 -6.098 -4.845 2.376 370 HB3 GLN 49 HB3 GLN 49 -5.326 -4.971 0.796 371 HG2 GLN 49 HG2 GLN 49 -7.981 -6.261 1.506 372 HG3 GLN 49 HG3 GLN 49 -7.817 -4.694 0.715 373 HE21 GLN 49 HE21 GLN 49 -9.048 -7.226 -0.252 374 HE22 GLN 49 HE22 GLN 49 -8.265 -7.557 -1.752 375 H VAL 50 H VAL 50 -3.183 -7.500 0.641 376 HA VAL 50 HA VAL 50 -1.380 -5.913 2.371 377 HB VAL 50 HB VAL 50 -0.580 -8.722 1.472 378 HG11 VAL 50 HG11 VAL 50 1.274 -8.426 3.062 379 HG12 VAL 50 HG12 VAL 50 0.661 -6.833 3.512 380 HG13 VAL 50 HG13 VAL 50 1.264 -7.117 1.879 381 HG21 VAL 50 HG21 VAL 50 -2.417 -8.968 3.116 382 HG22 VAL 50 HG22 VAL 50 -1.547 -7.929 4.250 383 HG23 VAL 50 HG23 VAL 50 -0.875 -9.497 3.798 384 H LEU 51 H LEU 51 -0.448 -4.478 1.119 385 HA LEU 51 HA LEU 51 0.393 -5.101 -1.649 386 HB2 LEU 51 HB2 LEU 51 -0.971 -3.141 -1.526 387 HB3 LEU 51 HB3 LEU 51 -0.121 -2.512 -0.146 388 HG LEU 51 HG LEU 51 0.161 -1.317 -2.449 389 HD11 LEU 51 HD11 LEU 51 2.460 -0.647 -1.986 390 HD12 LEU 51 HD12 LEU 51 2.672 -2.016 -0.893 391 HD13 LEU 51 HD13 LEU 51 1.520 -0.743 -0.500 392 HD21 LEU 51 HD21 LEU 51 2.120 -3.586 -2.928 393 HD22 LEU 51 HD22 LEU 51 1.898 -2.140 -3.924 394 HD23 LEU 51 HD23 LEU 51 0.605 -3.321 -3.792 395 H ARG 52 H ARG 52 2.477 -5.610 -1.992 396 HA ARG 52 HA ARG 52 4.561 -4.712 -0.092 397 HB2 ARG 52 HB2 ARG 52 4.586 -7.240 -1.803 398 HB3 ARG 52 HB3 ARG 52 5.936 -6.669 -0.836 399 HG2 ARG 52 HG2 ARG 52 5.029 -8.308 0.528 400 HG3 ARG 52 HG3 ARG 52 4.288 -6.845 1.175 401 HD2 ARG 52 HD2 ARG 52 2.551 -8.451 1.048 402 HD3 ARG 52 HD3 ARG 52 2.278 -7.362 -0.314 403 HE ARG 52 HE ARG 52 3.812 -9.758 -0.905 404 HH11 ARG 52 HH11 ARG 52 0.719 -8.244 -1.053 405 HH12 ARG 52 HH12 ARG 52 0.038 -9.521 -1.985 406 HH21 ARG 52 HH21 ARG 52 2.916 -11.349 -2.127 407 HH22 ARG 52 HH22 ARG 52 1.255 -11.251 -2.585 408 H VAL 53 H VAL 53 5.460 -2.893 -1.066 409 HA VAL 53 HA VAL 53 6.389 -3.089 -3.861 410 HB VAL 53 HB VAL 53 6.544 -0.710 -1.944 411 HG11 VAL 53 HG11 VAL 53 7.185 0.617 -3.946 412 HG12 VAL 53 HG12 VAL 53 7.204 -0.857 -4.917 413 HG13 VAL 53 HG13 VAL 53 8.367 -0.650 -3.607 414 HG21 VAL 53 HG21 VAL 53 4.217 -1.216 -2.604 415 HG22 VAL 53 HG22 VAL 53 4.674 -1.178 -4.306 416 HG23 VAL 53 HG23 VAL 53 4.759 0.295 -3.336 417 H GLN 54 H GLN 54 8.063 -4.503 -3.806 418 HA GLN 54 HA GLN 54 10.119 -4.617 -1.817 419 HB2 GLN 54 HB2 GLN 54 10.048 -5.753 -4.642 420 HB3 GLN 54 HB3 GLN 54 11.198 -6.216 -3.385 421 HG2 GLN 54 HG2 GLN 54 9.414 -7.163 -2.037 422 HG3 GLN 54 HG3 GLN 54 8.191 -6.593 -3.173 423 HE21 GLN 54 HE21 GLN 54 7.987 -7.656 -5.178 424 HE22 GLN 54 HE22 GLN 54 8.648 -9.226 -5.440 425 H GLY 55 H GLY 55 12.013 -3.484 -1.675 426 HA2 GLY 55 HA2 GLY 55 13.813 -2.141 -2.232 427 HA3 GLY 55 HA3 GLY 55 13.395 -2.309 -3.930 428 H ALA 56 H ALA 56 11.450 -1.051 -1.265 429 HA ALA 56 HA ALA 56 10.609 1.276 -2.747 430 HB1 ALA 56 HB1 ALA 56 9.055 0.033 -1.312 431 HB2 ALA 56 HB2 ALA 56 9.193 1.708 -0.777 432 HB3 ALA 56 HB3 ALA 56 10.024 0.426 0.112 433 H ARG 57 H ARG 57 11.469 3.300 -2.645 434 HA ARG 57 HA ARG 57 12.438 4.401 -0.152 435 HB2 ARG 57 HB2 ARG 57 14.521 3.380 -1.076 436 HB3 ARG 57 HB3 ARG 57 14.346 4.350 -2.535 437 HG2 ARG 57 HG2 ARG 57 14.593 6.418 -1.178 438 HG3 ARG 57 HG3 ARG 57 14.782 5.434 0.274 439 HD2 ARG 57 HD2 ARG 57 16.964 6.172 -0.469 440 HD3 ARG 57 HD3 ARG 57 16.841 4.433 -0.726 441 HE ARG 57 HE ARG 57 16.789 4.774 -3.037 442 HH11 ARG 57 HH11 ARG 57 16.901 7.852 -1.449 443 HH12 ARG 57 HH12 ARG 57 17.504 8.661 -2.849 444 HH21 ARG 57 HH21 ARG 57 17.515 5.849 -4.818 445 HH22 ARG 57 HH22 ARG 57 17.851 7.543 -4.728 446 H SER 58 H SER 58 13.111 5.504 -3.486 447 HA SER 58 HA SER 58 11.916 8.113 -2.846 448 HB2 SER 58 HB2 SER 58 14.217 8.124 -3.723 449 HB3 SER 58 HB3 SER 58 13.701 7.245 -5.164 450 HG SER 58 HG SER 58 13.822 9.448 -5.615 451 H GLY 59 H GLY 59 9.959 8.673 -3.610 452 HA2 GLY 59 HA2 GLY 59 8.160 8.860 -5.101 453 HA3 GLY 59 HA3 GLY 59 8.835 7.582 -6.101 454 H ASP 60 H ASP 60 9.202 5.772 -3.795 455 HA ASP 60 HA ASP 60 6.632 4.489 -3.768 456 HB2 ASP 60 HB2 ASP 60 9.114 3.802 -2.136 457 HB3 ASP 60 HB3 ASP 60 7.767 2.728 -2.525 458 H ALA 61 H ALA 61 8.443 6.497 -1.487 459 HA ALA 61 HA ALA 61 6.644 6.194 0.741 460 HB1 ALA 61 HB1 ALA 61 7.815 8.174 1.652 461 HB2 ALA 61 HB2 ALA 61 8.629 8.419 0.102 462 HB3 ALA 61 HB3 ALA 61 8.962 6.973 1.060 463 H GLY 62 H GLY 62 4.573 6.888 0.688 464 HA2 GLY 62 HA2 GLY 62 3.655 9.432 0.033 465 HA3 GLY 62 HA3 GLY 62 3.521 8.469 -1.435 466 H GLU 63 H GLU 63 1.183 9.114 -1.032 467 HA GLU 63 HA GLU 63 -0.196 7.678 1.105 468 HB2 GLU 63 HB2 GLU 63 -1.340 9.528 -1.026 469 HB3 GLU 63 HB3 GLU 63 -2.240 8.822 0.311 470 HG2 GLU 63 HG2 GLU 63 -1.789 11.069 0.918 471 HG3 GLU 63 HG3 GLU 63 -0.715 10.067 1.893 472 H TYR 64 H TYR 64 -0.656 5.619 0.776 473 HA TYR 64 HA TYR 64 -1.575 4.597 -1.837 474 HB2 TYR 64 HB2 TYR 64 -0.873 3.175 0.770 475 HB3 TYR 64 HB3 TYR 64 -1.478 2.351 -0.664 476 HD1 TYR 64 HD2 TYR 64 1.353 4.526 0.523 477 HD2 TYR 64 HD1 TYR 64 0.045 1.640 -2.354 478 HE1 TYR 64 HE2 TYR 64 3.645 4.337 -0.335 479 HE2 TYR 64 HE1 TYR 64 2.332 1.468 -3.218 480 HH TYR 64 HH TYR 64 5.033 2.724 -1.633 481 H LEU 65 H LEU 65 -3.606 3.399 -1.947 482 HA LEU 65 HA LEU 65 -5.611 4.110 0.118 483 HB2 LEU 65 HB2 LEU 65 -5.779 5.788 -1.650 484 HB3 LEU 65 HB3 LEU 65 -5.857 4.543 -2.880 485 HG LEU 65 HG LEU 65 -8.086 3.825 -2.013 486 HD11 LEU 65 HD11 LEU 65 -9.312 5.228 -0.400 487 HD12 LEU 65 HD12 LEU 65 -7.856 6.185 -0.118 488 HD13 LEU 65 HD13 LEU 65 -7.892 4.476 0.327 489 HD21 LEU 65 HD21 LEU 65 -7.958 5.420 -3.874 490 HD22 LEU 65 HD22 LEU 65 -7.933 6.772 -2.738 491 HD23 LEU 65 HD23 LEU 65 -9.365 5.746 -2.860 492 H CYS 66 H CYS 66 -5.994 2.078 0.913 493 HA CYS 66 HA CYS 66 -6.663 -0.157 -0.846 494 HB2 CYS 66 HB2 CYS 66 -5.578 -0.558 1.360 495 HB3 CYS 66 HB3 CYS 66 -6.996 0.091 2.174 496 HG CYS 66 HG CYS 66 -6.677 -2.855 0.494 497 H ASP 67 H ASP 67 -8.322 0.655 -2.058 498 HA ASP 67 HA ASP 67 -10.629 1.993 -0.980 499 HB2 ASP 67 HB2 ASP 67 -9.572 2.522 -3.200 500 HB3 ASP 67 HB3 ASP 67 -10.114 0.959 -3.801 501 H ALA 68 H ALA 68 -11.745 0.598 0.333 502 HA ALA 68 HA ALA 68 -12.753 -1.964 -0.728 503 HB1 ALA 68 HB1 ALA 68 -13.325 -2.469 1.623 504 HB2 ALA 68 HB2 ALA 68 -12.747 -0.873 2.109 505 HB3 ALA 68 HB3 ALA 68 -11.618 -2.053 1.446 506 HA PRO 69 HA PRO 69 -16.846 -0.354 -1.624 507 HB2 PRO 69 HB2 PRO 69 -17.902 -2.886 -0.364 508 HB3 PRO 69 HB3 PRO 69 -18.242 -2.197 -1.959 509 HG2 PRO 69 HG2 PRO 69 -16.611 -4.291 -1.736 510 HG3 PRO 69 HG3 PRO 69 -16.229 -2.980 -2.874 511 HD2 PRO 69 HD2 PRO 69 -15.039 -3.536 -0.156 512 HD3 PRO 69 HD3 PRO 69 -14.239 -3.008 -1.655 513 H GLN 70 H GLN 70 -17.511 1.320 -0.412 514 HA GLN 70 HA GLN 70 -18.357 2.638 1.213 515 HB2 GLN 70 HB2 GLN 70 -19.647 0.042 2.169 516 HB3 GLN 70 HB3 GLN 70 -20.095 1.646 2.741 517 HG2 GLN 70 HG2 GLN 70 -20.338 0.690 -0.130 518 HG3 GLN 70 HG3 GLN 70 -21.659 0.752 1.035 519 HE21 GLN 70 HE21 GLN 70 -21.350 2.130 -1.568 520 HE22 GLN 70 HE22 GLN 70 -21.531 3.811 -1.228 521 H ASP 71 H ASP 71 -15.725 1.638 1.625 522 HA ASP 71 HA ASP 71 -15.445 2.052 4.538 523 HB2 ASP 71 HB2 ASP 71 -15.386 -0.411 4.126 524 HB3 ASP 71 HB3 ASP 71 -14.066 -0.197 2.993 525 H SER 72 H SER 72 -12.917 1.135 2.180 526 HA SER 72 HA SER 72 -11.122 2.140 1.267 527 HB2 SER 72 HB2 SER 72 -12.978 4.546 1.174 528 HB3 SER 72 HB3 SER 72 -11.451 4.424 0.293 529 HG SER 72 HG SER 72 -12.535 3.412 -1.177 530 H ARG 73 H ARG 73 -9.378 2.218 2.636 531 HA ARG 73 HA ARG 73 -9.134 4.495 4.529 532 HB2 ARG 73 HB2 ARG 73 -8.278 1.640 4.691 533 HB3 ARG 73 HB3 ARG 73 -7.062 2.771 5.251 534 HG2 ARG 73 HG2 ARG 73 -8.428 1.990 7.118 535 HG3 ARG 73 HG3 ARG 73 -8.646 3.723 6.871 536 HD2 ARG 73 HD2 ARG 73 -10.765 3.171 5.588 537 HD3 ARG 73 HD3 ARG 73 -10.565 1.496 6.121 538 HE ARG 73 HE ARG 73 -10.480 3.029 8.420 539 HH11 ARG 73 HH11 ARG 73 -12.801 2.437 5.930 540 HH12 ARG 73 HH12 ARG 73 -14.142 2.812 6.950 541 HH21 ARG 73 HH21 ARG 73 -12.214 3.518 9.696 542 HH22 ARG 73 HH22 ARG 73 -13.817 3.408 9.061 543 H ILE 74 H ILE 74 -7.587 5.983 4.322 544 HA ILE 74 HA ILE 74 -5.634 5.874 2.139 545 HB ILE 74 HB ILE 74 -6.360 8.130 4.077 546 HG12 ILE 74 HG12 ILE 74 -7.089 9.307 1.901 547 HG13 ILE 74 HG13 ILE 74 -6.898 7.761 1.088 548 HG21 ILE 74 HG21 ILE 74 -4.287 8.224 1.850 549 HG22 ILE 74 HG22 ILE 74 -3.964 8.313 3.583 550 HG23 ILE 74 HG23 ILE 74 -4.846 9.615 2.785 551 HD11 ILE 74 HD11 ILE 74 -9.218 8.257 1.619 552 HD12 ILE 74 HD12 ILE 74 -8.825 8.346 3.335 553 HD13 ILE 74 HD13 ILE 74 -8.667 6.816 2.469 554 H PHE 75 H PHE 75 -3.442 5.809 2.456 555 HA PHE 75 HA PHE 75 -2.430 4.988 5.114 556 HB2 PHE 75 HB2 PHE 75 -1.670 4.015 2.322 557 HB3 PHE 75 HB3 PHE 75 -0.724 3.644 3.756 558 HD1 PHE 75 HD2 PHE 75 -4.334 3.471 2.686 559 HD2 PHE 75 HD1 PHE 75 -1.063 1.530 4.635 560 HE1 PHE 75 HE2 PHE 75 -5.750 1.525 3.131 561 HE2 PHE 75 HE1 PHE 75 -2.490 -0.413 5.063 562 HZ PHE 75 HZ PHE 75 -4.834 -0.414 4.317 563 H LEU 76 H LEU 76 -1.454 6.906 5.816 564 HA LEU 76 HA LEU 76 0.328 8.419 4.089 565 HB2 LEU 76 HB2 LEU 76 0.085 8.505 7.130 566 HB3 LEU 76 HB3 LEU 76 0.896 9.695 6.119 567 HG LEU 76 HG LEU 76 -2.103 9.136 6.151 568 HD11 LEU 76 HD11 LEU 76 -0.577 11.531 7.219 569 HD12 LEU 76 HD12 LEU 76 -1.380 10.286 8.179 570 HD13 LEU 76 HD13 LEU 76 -2.335 11.361 7.161 571 HD21 LEU 76 HD21 LEU 76 -0.573 11.231 4.560 572 HD22 LEU 76 HD22 LEU 76 -2.330 11.090 4.663 573 HD23 LEU 76 HD23 LEU 76 -1.392 9.808 3.905 574 H VAL 77 H VAL 77 1.814 6.975 3.309 575 HA VAL 77 HA VAL 77 3.370 5.275 5.139 576 HB VAL 77 HB VAL 77 3.115 5.210 2.106 577 HG11 VAL 77 HG11 VAL 77 5.377 4.473 2.739 578 HG12 VAL 77 HG12 VAL 77 4.419 3.100 2.184 579 HG13 VAL 77 HG13 VAL 77 4.700 3.336 3.910 580 HG21 VAL 77 HG21 VAL 77 1.907 3.085 2.475 581 HG22 VAL 77 HG22 VAL 77 1.097 4.421 3.296 582 HG23 VAL 77 HG23 VAL 77 2.076 3.280 4.222 583 H SER 78 H SER 78 5.271 5.947 5.798 584 HA SER 78 HA SER 78 6.901 7.823 4.171 585 HB2 SER 78 HB2 SER 78 7.940 8.477 6.374 586 HB3 SER 78 HB3 SER 78 6.218 8.832 6.285 587 HG SER 78 HG SER 78 5.806 7.022 7.557 588 H VAL 79 H VAL 79 8.330 6.542 3.045 589 HA VAL 79 HA VAL 79 9.822 4.425 4.456 590 HB VAL 79 HB VAL 79 10.072 5.259 1.524 591 HG11 VAL 79 HG11 VAL 79 12.083 4.129 2.402 592 HG12 VAL 79 HG12 VAL 79 11.243 3.095 1.245 593 HG13 VAL 79 HG13 VAL 79 11.091 2.780 2.975 594 HG21 VAL 79 HG21 VAL 79 7.793 4.400 1.950 595 HG22 VAL 79 HG22 VAL 79 8.463 2.942 2.687 596 HG23 VAL 79 HG23 VAL 79 8.715 3.257 0.968 597 H GLU 80 H GLU 80 11.393 5.215 5.665 598 HA GLU 80 HA GLU 80 13.560 6.845 4.878 599 HB2 GLU 80 HB2 GLU 80 13.012 8.913 6.180 600 HB3 GLU 80 HB3 GLU 80 11.914 8.674 4.822 601 HG2 GLU 80 HG2 GLU 80 10.199 7.770 6.377 602 HG3 GLU 80 HG3 GLU 80 11.298 8.036 7.733 603 H GLU 81 H GLU 81 14.199 7.990 7.401 604 HA GLU 81 HA GLU 81 15.200 7.518 9.370 605 HB2 GLU 81 HB2 GLU 81 12.832 6.935 10.075 606 HB3 GLU 81 HB3 GLU 81 13.170 5.259 9.683 607 HG2 GLU 81 HG2 GLU 81 13.358 5.496 12.055 608 HG3 GLU 81 HG3 GLU 81 14.991 5.280 11.417 609 HA PRO 82 HA PRO 82 17.666 4.426 6.912 610 HB2 PRO 82 HB2 PRO 82 19.994 5.921 8.076 611 HB3 PRO 82 HB3 PRO 82 19.637 5.529 6.390 612 HG2 PRO 82 HG2 PRO 82 19.325 8.028 7.284 613 HG3 PRO 82 HG3 PRO 82 18.150 7.328 6.147 614 HD2 PRO 82 HD2 PRO 82 17.925 7.632 9.153 615 HD3 PRO 82 HD3 PRO 82 16.726 8.015 7.895 Start of MODEL 10 1 H MET 1 H1 MET 1 -6.563 5.938 11.439 2 HA MET 1 HA MET 1 -7.043 5.574 8.529 3 HB2 MET 1 HB2 MET 1 -6.765 7.970 9.339 4 HB3 MET 1 HB3 MET 1 -5.155 7.540 9.896 5 HG2 MET 1 HG2 MET 1 -4.480 7.046 7.596 6 HG3 MET 1 HG3 MET 1 -6.116 7.412 7.029 7 HE1 MET 1 HE1 MET 1 -4.177 8.977 5.427 8 HE2 MET 1 HE2 MET 1 -4.663 10.656 5.657 9 HE3 MET 1 HE3 MET 1 -5.889 9.402 5.470 10 H THR 2 H THR 2 -5.750 3.998 7.689 11 HA THR 2 HA THR 2 -3.970 2.542 9.489 12 HB THR 2 HB THR 2 -4.769 1.891 6.616 13 HG1 THR 2 HG1 THR 2 -6.252 1.851 8.817 14 HG21 THR 2 HG21 THR 2 -2.751 0.656 7.289 15 HG22 THR 2 HG22 THR 2 -4.135 -0.441 7.206 16 HG23 THR 2 HG23 THR 2 -3.548 0.121 8.776 17 H ARG 3 H ARG 3 -1.927 3.336 9.665 18 HA ARG 3 HA ARG 3 -0.473 4.351 7.266 19 HB2 ARG 3 HB2 ARG 3 0.127 4.935 10.199 20 HB3 ARG 3 HB3 ARG 3 0.818 5.737 8.787 21 HG2 ARG 3 HG2 ARG 3 -1.338 6.768 8.269 22 HG3 ARG 3 HG3 ARG 3 -2.112 5.879 9.587 23 HD2 ARG 3 HD2 ARG 3 0.051 7.997 9.873 24 HD3 ARG 3 HD3 ARG 3 -1.663 8.199 10.250 25 HE ARG 3 HE ARG 3 0.251 6.501 11.735 26 HH11 ARG 3 HH11 ARG 3 -2.787 8.163 11.687 27 HH12 ARG 3 HH12 ARG 3 -3.054 7.914 13.373 28 HH21 ARG 3 HH21 ARG 3 -0.125 6.201 13.878 29 HH22 ARG 3 HH22 ARG 3 -1.559 6.840 14.599 30 H VAL 4 H VAL 4 1.650 3.554 6.842 31 HA VAL 4 HA VAL 4 2.882 1.590 8.690 32 HB VAL 4 HB VAL 4 2.621 1.127 5.676 33 HG11 VAL 4 HG11 VAL 4 3.732 -1.067 6.071 34 HG12 VAL 4 HG12 VAL 4 3.986 -0.627 7.762 35 HG13 VAL 4 HG13 VAL 4 4.787 0.289 6.484 36 HG21 VAL 4 HG21 VAL 4 0.491 0.616 6.787 37 HG22 VAL 4 HG22 VAL 4 1.320 -0.433 7.942 38 HG23 VAL 4 HG23 VAL 4 1.264 -0.876 6.232 39 H ARG 5 H ARG 5 5.087 1.881 8.918 40 HA ARG 5 HA ARG 5 6.571 3.474 6.899 41 HB2 ARG 5 HB2 ARG 5 6.571 4.490 9.184 42 HB3 ARG 5 HB3 ARG 5 7.318 3.028 9.827 43 HG2 ARG 5 HG2 ARG 5 9.324 3.420 8.447 44 HG3 ARG 5 HG3 ARG 5 8.570 4.838 7.719 45 HD2 ARG 5 HD2 ARG 5 10.121 5.612 9.365 46 HD3 ARG 5 HD3 ARG 5 8.499 5.882 10.008 47 HE ARG 5 HE ARG 5 10.227 3.608 10.820 48 HH11 ARG 5 HH11 ARG 5 7.983 6.101 11.684 49 HH12 ARG 5 HH12 ARG 5 8.051 5.715 13.366 50 HH21 ARG 5 HH21 ARG 5 10.320 3.170 12.965 51 HH22 ARG 5 HH22 ARG 5 9.382 4.096 14.083 52 H SER 6 H SER 6 8.345 2.565 5.906 53 HA SER 6 HA SER 6 9.400 -0.053 6.860 54 HB2 SER 6 HB2 SER 6 7.963 -0.446 4.864 55 HB3 SER 6 HB3 SER 6 8.923 0.706 3.937 56 HG SER 6 HG SER 6 9.384 -1.743 3.923 57 H THR 7 H THR 7 11.617 -0.515 5.877 58 HA THR 7 HA THR 7 13.320 1.801 6.333 59 HB THR 7 HB THR 7 15.211 0.095 6.134 60 HG1 THR 7 HG1 THR 7 14.770 -1.878 5.535 61 HG21 THR 7 HG21 THR 7 14.759 -0.947 8.306 62 HG22 THR 7 HG22 THR 7 13.050 -0.524 8.178 63 HG23 THR 7 HG23 THR 7 14.271 0.749 8.316 64 HA PRO 8 HA PRO 8 14.109 2.789 2.105 65 HB2 PRO 8 HB2 PRO 8 16.300 4.316 2.296 66 HB3 PRO 8 HB3 PRO 8 14.826 4.736 3.176 67 HG2 PRO 8 HG2 PRO 8 17.264 3.309 4.225 68 HG3 PRO 8 HG3 PRO 8 16.425 4.721 4.909 69 HD2 PRO 8 HD2 PRO 8 15.939 2.154 5.748 70 HD3 PRO 8 HD3 PRO 8 14.707 3.436 5.793 71 H GLY 9 H GLY 9 14.432 0.438 1.600 72 HA2 GLY 9 HA2 GLY 9 16.489 -0.101 -0.139 73 HA3 GLY 9 HA3 GLY 9 17.087 -0.686 1.410 74 H GLY 10 H GLY 10 14.346 -1.443 2.300 75 HA2 GLY 10 HA2 GLY 10 14.470 -4.178 1.274 76 HA3 GLY 10 HA3 GLY 10 13.528 -3.603 2.640 77 H ASP 11 H ASP 11 11.535 -4.478 2.105 78 HA ASP 11 HA ASP 11 10.251 -3.450 -0.365 79 HB2 ASP 11 HB2 ASP 11 8.788 -5.355 -0.413 80 HB3 ASP 11 HB3 ASP 11 10.423 -5.976 -0.224 81 H LEU 12 H LEU 12 8.382 -2.313 -0.165 82 HA LEU 12 HA LEU 12 7.517 -1.402 2.456 83 HB2 LEU 12 HB2 LEU 12 7.775 0.187 0.594 84 HB3 LEU 12 HB3 LEU 12 6.596 -0.704 -0.355 85 HG LEU 12 HG LEU 12 4.823 -0.104 1.279 86 HD11 LEU 12 HD11 LEU 12 5.242 1.558 3.037 87 HD12 LEU 12 HD12 LEU 12 6.967 1.535 2.667 88 HD13 LEU 12 HD13 LEU 12 6.176 0.089 3.306 89 HD21 LEU 12 HD21 LEU 12 4.630 2.261 0.673 90 HD22 LEU 12 HD22 LEU 12 5.173 1.303 -0.702 91 HD23 LEU 12 HD23 LEU 12 6.329 2.296 0.193 92 H GLU 13 H GLU 13 6.320 -2.958 3.506 93 HA GLU 13 HA GLU 13 4.268 -4.489 2.034 94 HB2 GLU 13 HB2 GLU 13 6.008 -5.778 3.296 95 HB3 GLU 13 HB3 GLU 13 5.469 -5.020 4.792 96 HG2 GLU 13 HG2 GLU 13 3.209 -6.039 4.440 97 HG3 GLU 13 HG3 GLU 13 3.837 -6.863 3.019 98 H LEU 14 H LEU 14 2.396 -3.347 2.066 99 HA LEU 14 HA LEU 14 1.516 -1.880 4.456 100 HB2 LEU 14 HB2 LEU 14 0.286 -1.967 1.673 101 HB3 LEU 14 HB3 LEU 14 -0.170 -0.883 2.984 102 HG LEU 14 HG LEU 14 2.411 -0.856 1.379 103 HD11 LEU 14 HD11 LEU 14 1.700 1.376 0.716 104 HD12 LEU 14 HD12 LEU 14 0.230 1.223 1.683 105 HD13 LEU 14 HD13 LEU 14 0.486 0.173 0.285 106 HD21 LEU 14 HD21 LEU 14 3.013 -0.398 3.694 107 HD22 LEU 14 HD22 LEU 14 1.745 0.823 3.820 108 HD23 LEU 14 HD23 LEU 14 3.118 1.079 2.739 109 H VAL 15 H VAL 15 0.580 -3.271 5.861 110 HA VAL 15 HA VAL 15 -1.359 -5.299 4.914 111 HB VAL 15 HB VAL 15 -0.011 -5.069 7.648 112 HG11 VAL 15 HG11 VAL 15 -1.729 -7.306 6.499 113 HG12 VAL 15 HG12 VAL 15 -2.202 -6.196 7.787 114 HG13 VAL 15 HG13 VAL 15 -0.896 -7.351 8.055 115 HG21 VAL 15 HG21 VAL 15 1.367 -7.009 6.956 116 HG22 VAL 15 HG22 VAL 15 1.645 -5.622 5.901 117 HG23 VAL 15 HG23 VAL 15 0.635 -6.962 5.350 118 H VAL 16 H VAL 16 -3.432 -4.682 5.015 119 HA VAL 16 HA VAL 16 -4.280 -2.592 6.919 120 HB VAL 16 HB VAL 16 -6.371 -3.506 4.993 121 HG11 VAL 16 HG11 VAL 16 -6.723 -1.090 4.699 122 HG12 VAL 16 HG12 VAL 16 -5.268 -0.747 5.637 123 HG13 VAL 16 HG13 VAL 16 -6.655 -1.521 6.410 124 HG21 VAL 16 HG21 VAL 16 -5.437 -2.384 3.002 125 HG22 VAL 16 HG22 VAL 16 -4.494 -3.796 3.469 126 HG23 VAL 16 HG23 VAL 16 -3.895 -2.181 3.839 127 H HIS 17 H HIS 17 -5.729 -2.958 8.490 128 HA HIS 17 HA HIS 17 -6.859 -5.670 8.877 129 HB2 HIS 17 HB2 HIS 17 -6.439 -3.423 10.906 130 HB3 HIS 17 HB3 HIS 17 -7.054 -5.039 11.265 131 HD1 HIS 17 HD1 HIS 17 -5.334 -7.034 11.022 132 HD2 HIS 17 HD2 HIS 17 -3.648 -3.251 10.704 133 HE1 HIS 17 HE1 HIS 17 -2.860 -7.391 11.171 134 HE2 HIS 17 HE2 HIS 17 -1.874 -5.079 11.164 135 H LEU 18 H LEU 18 -7.946 -3.854 6.998 136 HA LEU 18 HA LEU 18 -10.267 -2.487 7.637 137 HB2 LEU 18 HB2 LEU 18 -9.340 -4.055 5.237 138 HB3 LEU 18 HB3 LEU 18 -11.006 -3.501 5.248 139 HG LEU 18 HG LEU 18 -8.629 -1.637 5.557 140 HD11 LEU 18 HD11 LEU 18 -10.160 -2.298 3.020 141 HD12 LEU 18 HD12 LEU 18 -8.480 -2.714 3.369 142 HD13 LEU 18 HD13 LEU 18 -8.946 -1.024 3.190 143 HD21 LEU 18 HD21 LEU 18 -10.720 -0.735 6.472 144 HD22 LEU 18 HD22 LEU 18 -11.544 -1.046 4.941 145 HD23 LEU 18 HD23 LEU 18 -10.241 0.142 5.020 146 H SER 19 H SER 19 -9.795 -5.980 7.239 147 HA SER 19 HA SER 19 -11.020 -7.831 7.638 148 HB2 SER 19 HB2 SER 19 -11.194 -6.848 9.939 149 HB3 SER 19 HB3 SER 19 -12.708 -6.076 9.472 150 HG SER 19 HG SER 19 -13.673 -8.048 9.323 151 H GLY 20 H GLY 20 -11.846 -5.833 5.514 152 HA2 GLY 20 HA2 GLY 20 -14.694 -6.159 5.124 153 HA3 GLY 20 HA3 GLY 20 -13.561 -5.405 4.016 154 HA PRO 21 HA PRO 21 -14.367 -10.189 3.200 155 HB2 PRO 21 HB2 PRO 21 -16.846 -10.412 2.068 156 HB3 PRO 21 HB3 PRO 21 -16.584 -10.459 3.818 157 HG2 PRO 21 HG2 PRO 21 -17.459 -8.133 2.095 158 HG3 PRO 21 HG3 PRO 21 -18.132 -8.685 3.645 159 HD2 PRO 21 HD2 PRO 21 -16.388 -6.595 3.477 160 HD3 PRO 21 HD3 PRO 21 -16.431 -7.677 4.888 161 H GLY 22 H GLY 22 -12.669 -9.614 1.707 162 HA2 GLY 22 HA2 GLY 22 -11.717 -9.918 -0.353 163 HA3 GLY 22 HA3 GLY 22 -13.294 -10.398 -0.951 164 H GLY 23 H GLY 23 -14.598 -8.875 -2.016 165 HA2 GLY 23 HA2 GLY 23 -15.072 -6.487 -2.483 166 HA3 GLY 23 HA3 GLY 23 -13.347 -6.246 -2.669 167 HA PRO 24 HA PRO 24 -11.568 -7.742 -3.763 168 HB2 PRO 24 HB2 PRO 24 -9.935 -7.126 -5.835 169 HB3 PRO 24 HB3 PRO 24 -10.774 -8.685 -5.751 170 HG2 PRO 24 HG2 PRO 24 -11.567 -6.196 -7.282 171 HG3 PRO 24 HG3 PRO 24 -11.480 -7.873 -7.863 172 HD2 PRO 24 HD2 PRO 24 -13.831 -6.731 -7.069 173 HD3 PRO 24 HD3 PRO 24 -13.508 -8.467 -6.858 174 H VAL 25 H VAL 25 -10.326 -6.285 -2.693 175 HA VAL 25 HA VAL 25 -10.813 -3.501 -2.690 176 HB VAL 25 HB VAL 25 -8.514 -5.105 -1.508 177 HG11 VAL 25 HG11 VAL 25 -7.725 -2.787 -1.848 178 HG12 VAL 25 HG12 VAL 25 -7.967 -3.105 -0.131 179 HG13 VAL 25 HG13 VAL 25 -9.158 -2.160 -1.029 180 HG21 VAL 25 HG21 VAL 25 -11.005 -3.893 -0.237 181 HG22 VAL 25 HG22 VAL 25 -9.729 -4.746 0.632 182 HG23 VAL 25 HG23 VAL 25 -10.722 -5.609 -0.542 183 H ARG 26 H ARG 26 -9.982 -1.886 -3.894 184 HA ARG 26 HA ARG 26 -7.922 -2.457 -5.927 185 HB2 ARG 26 HB2 ARG 26 -9.766 -0.058 -5.543 186 HB3 ARG 26 HB3 ARG 26 -8.613 -0.235 -6.863 187 HG2 ARG 26 HG2 ARG 26 -9.864 -2.193 -7.700 188 HG3 ARG 26 HG3 ARG 26 -11.017 -2.033 -6.367 189 HD2 ARG 26 HD2 ARG 26 -11.732 0.144 -7.191 190 HD3 ARG 26 HD3 ARG 26 -10.489 0.124 -8.444 191 HE ARG 26 HE ARG 26 -12.121 -2.126 -8.794 192 HH11 ARG 26 HH11 ARG 26 -12.449 1.325 -9.019 193 HH12 ARG 26 HH12 ARG 26 -13.645 1.222 -10.262 194 HH21 ARG 26 HH21 ARG 26 -13.649 -2.206 -10.374 195 HH22 ARG 26 HH22 ARG 26 -14.304 -0.744 -11.025 196 H TRP 27 H TRP 27 -5.879 -1.769 -5.629 197 HA TRP 27 HA TRP 27 -5.220 0.127 -3.467 198 HB2 TRP 27 HB2 TRP 27 -3.618 -1.935 -5.017 199 HB3 TRP 27 HB3 TRP 27 -2.798 -0.653 -4.136 200 HD1 TRP 27 HD1 TRP 27 -4.654 -3.944 -3.545 201 HE1 TRP 27 HE1 TRP 27 -4.345 -4.599 -1.078 202 HE3 TRP 27 HE3 TRP 27 -2.644 0.427 -1.784 203 HZ2 TRP 27 HZ2 TRP 27 -3.393 -3.418 1.295 204 HZ3 TRP 27 HZ3 TRP 27 -2.074 0.585 0.609 205 HH2 TRP 27 HH2 TRP 27 -2.449 -1.306 2.113 206 H TYR 28 H TYR 28 -4.589 2.152 -3.897 207 HA TYR 28 HA TYR 28 -3.634 2.906 -6.611 208 HB2 TYR 28 HB2 TYR 28 -5.321 4.627 -4.733 209 HB3 TYR 28 HB3 TYR 28 -4.703 5.125 -6.301 210 HD1 TYR 28 HD1 TYR 28 -5.713 4.219 -8.393 211 HD2 TYR 28 HD2 TYR 28 -7.313 3.192 -4.561 212 HE1 TYR 28 HE1 TYR 28 -7.778 3.447 -9.461 213 HE2 TYR 28 HE2 TYR 28 -9.382 2.417 -5.643 214 HH TYR 28 HH TYR 28 -10.616 2.765 -7.716 215 H LYS 29 H LYS 29 -1.714 3.982 -6.631 216 HA LYS 29 HA LYS 29 -0.540 5.000 -4.117 217 HB2 LYS 29 HB2 LYS 29 0.945 3.461 -5.124 218 HB3 LYS 29 HB3 LYS 29 0.668 4.067 -6.734 219 HG2 LYS 29 HG2 LYS 29 2.928 4.611 -5.843 220 HG3 LYS 29 HG3 LYS 29 2.006 6.046 -6.293 221 HD2 LYS 29 HD2 LYS 29 1.566 6.599 -3.987 222 HD3 LYS 29 HD3 LYS 29 2.144 5.034 -3.428 223 HE2 LYS 29 HE2 LYS 29 3.860 7.205 -4.677 224 HE3 LYS 29 HE3 LYS 29 3.784 6.803 -2.959 225 HZ1 LYS 29 HZ1 LYS 29 4.708 4.988 -5.123 226 HZ2 LYS 29 HZ2 LYS 29 4.635 4.598 -3.481 227 HZ3 LYS 29 HZ3 LYS 29 5.696 5.795 -4.018 228 H ASP 30 H ASP 30 -0.680 7.086 -3.778 229 HA ASP 30 HA ASP 30 -0.996 9.290 -3.900 230 HB2 ASP 30 HB2 ASP 30 0.917 9.445 -5.389 231 HB3 ASP 30 HB3 ASP 30 -0.061 8.977 -6.777 232 H GLY 31 H GLY 31 -2.205 8.051 -7.019 233 HA2 GLY 31 HA2 GLY 31 -4.970 8.153 -6.205 234 HA3 GLY 31 HA3 GLY 31 -4.550 9.378 -7.402 235 H GLU 32 H GLU 32 -2.459 7.017 -8.187 236 HA GLU 32 HA GLU 32 -4.259 5.908 -10.269 237 HB2 GLU 32 HB2 GLU 32 -2.404 7.316 -11.098 238 HB3 GLU 32 HB3 GLU 32 -1.233 6.291 -10.283 239 HG2 GLU 32 HG2 GLU 32 -1.809 4.408 -11.743 240 HG3 GLU 32 HG3 GLU 32 -3.076 5.364 -12.512 241 H ARG 33 H ARG 33 -4.384 3.702 -10.577 242 HA ARG 33 HA ARG 33 -4.110 2.079 -8.312 243 HB2 ARG 33 HB2 ARG 33 -5.161 0.352 -9.537 244 HB3 ARG 33 HB3 ARG 33 -5.787 1.830 -10.248 245 HG2 ARG 33 HG2 ARG 33 -3.546 0.168 -11.447 246 HG3 ARG 33 HG3 ARG 33 -5.243 0.033 -11.916 247 HD2 ARG 33 HD2 ARG 33 -5.233 2.295 -12.792 248 HD3 ARG 33 HD3 ARG 33 -3.614 2.589 -12.144 249 HE ARG 33 HE ARG 33 -3.770 0.392 -14.008 250 HH11 ARG 33 HH11 ARG 33 -3.316 3.821 -13.782 251 HH12 ARG 33 HH12 ARG 33 -2.424 3.892 -15.257 252 HH21 ARG 33 HH21 ARG 33 -2.644 0.524 -15.875 253 HH22 ARG 33 HH22 ARG 33 -2.059 2.054 -16.431 254 H LEU 34 H LEU 34 -2.890 0.220 -7.839 255 HA LEU 34 HA LEU 34 -0.249 -0.071 -9.048 256 HB2 LEU 34 HB2 LEU 34 -1.611 -1.447 -6.703 257 HB3 LEU 34 HB3 LEU 34 -0.100 -2.038 -7.345 258 HG LEU 34 HG LEU 34 0.359 -0.719 -5.381 259 HD11 LEU 34 HD11 LEU 34 1.992 -0.585 -7.206 260 HD12 LEU 34 HD12 LEU 34 1.962 0.891 -6.244 261 HD13 LEU 34 HD13 LEU 34 1.189 0.860 -7.832 262 HD21 LEU 34 HD21 LEU 34 -0.221 1.657 -5.194 263 HD22 LEU 34 HD22 LEU 34 -1.652 0.637 -5.316 264 HD23 LEU 34 HD23 LEU 34 -1.111 1.560 -6.720 265 H ALA 35 H ALA 35 0.502 -2.207 -9.698 266 HA ALA 35 HA ALA 35 -1.509 -4.001 -10.911 267 HB1 ALA 35 HB1 ALA 35 -0.840 -2.353 -12.627 268 HB2 ALA 35 HB2 ALA 35 -0.277 -3.973 -13.041 269 HB3 ALA 35 HB3 ALA 35 0.857 -2.783 -12.395 270 H SER 36 H SER 36 -1.091 -5.858 -9.856 271 HA SER 36 HA SER 36 1.356 -6.564 -8.608 272 HB2 SER 36 HB2 SER 36 0.261 -8.787 -8.210 273 HB3 SER 36 HB3 SER 36 -0.771 -7.433 -7.761 274 HG SER 36 HG SER 36 -0.961 -9.127 -10.019 275 H GLN 37 H GLN 37 3.125 -6.749 -9.892 276 HA GLN 37 HA GLN 37 3.098 -8.715 -12.132 277 HB2 GLN 37 HB2 GLN 37 4.559 -6.047 -11.993 278 HB3 GLN 37 HB3 GLN 37 4.792 -7.241 -13.268 279 HG2 GLN 37 HG2 GLN 37 2.537 -6.957 -14.061 280 HG3 GLN 37 HG3 GLN 37 2.104 -5.974 -12.663 281 HE21 GLN 37 HE21 GLN 37 2.780 -3.822 -12.581 282 HE22 GLN 37 HE22 GLN 37 3.375 -2.993 -13.974 283 H GLY 38 H GLY 38 5.519 -6.919 -10.130 284 HA2 GLY 38 HA2 GLY 38 6.928 -9.427 -9.491 285 HA3 GLY 38 HA3 GLY 38 7.798 -8.251 -10.466 286 H ARG 39 H ARG 39 7.808 -5.946 -9.489 287 HA ARG 39 HA ARG 39 8.766 -5.920 -6.790 288 HB2 ARG 39 HB2 ARG 39 7.765 -3.553 -8.443 289 HB3 ARG 39 HB3 ARG 39 8.740 -3.452 -6.978 290 HG2 ARG 39 HG2 ARG 39 10.633 -4.503 -8.150 291 HG3 ARG 39 HG3 ARG 39 9.651 -4.660 -9.613 292 HD2 ARG 39 HD2 ARG 39 9.390 -2.154 -9.626 293 HD3 ARG 39 HD3 ARG 39 10.522 -2.073 -8.272 294 HE ARG 39 HE ARG 39 11.930 -3.435 -10.126 295 HH11 ARG 39 HH11 ARG 39 10.183 -0.449 -10.366 296 HH12 ARG 39 HH12 ARG 39 11.246 0.190 -11.566 297 HH21 ARG 39 HH21 ARG 39 13.258 -2.583 -11.666 298 HH22 ARG 39 HH22 ARG 39 12.959 -0.996 -12.288 299 H VAL 40 H VAL 40 5.875 -4.433 -8.239 300 HA VAL 40 HA VAL 40 4.368 -4.172 -5.819 301 HB VAL 40 HB VAL 40 3.498 -4.005 -8.746 302 HG11 VAL 40 HG11 VAL 40 1.940 -3.173 -6.277 303 HG12 VAL 40 HG12 VAL 40 1.558 -4.536 -7.329 304 HG13 VAL 40 HG13 VAL 40 1.450 -2.888 -7.947 305 HG21 VAL 40 HG21 VAL 40 5.156 -2.285 -8.111 306 HG22 VAL 40 HG22 VAL 40 4.142 -1.795 -6.751 307 HG23 VAL 40 HG23 VAL 40 3.575 -1.554 -8.406 308 H GLN 41 H GLN 41 3.236 -5.712 -4.815 309 HA GLN 41 HA GLN 41 2.158 -8.068 -6.250 310 HB2 GLN 41 HB2 GLN 41 3.681 -8.145 -3.597 311 HB3 GLN 41 HB3 GLN 41 2.905 -9.526 -4.372 312 HG2 GLN 41 HG2 GLN 41 4.479 -9.410 -6.243 313 HG3 GLN 41 HG3 GLN 41 5.208 -7.950 -5.582 314 HE21 GLN 41 HE21 GLN 41 6.518 -8.132 -3.726 315 HE22 GLN 41 HE22 GLN 41 7.214 -9.640 -3.257 316 H LEU 42 H LEU 42 -0.010 -7.983 -5.955 317 HA LEU 42 HA LEU 42 -1.191 -6.686 -3.583 318 HB2 LEU 42 HB2 LEU 42 -2.504 -7.536 -6.198 319 HB3 LEU 42 HB3 LEU 42 -3.298 -6.660 -4.894 320 HG LEU 42 HG LEU 42 -1.041 -5.616 -6.662 321 HD11 LEU 42 HD11 LEU 42 -3.937 -4.731 -6.473 322 HD12 LEU 42 HD12 LEU 42 -3.209 -5.647 -7.797 323 HD13 LEU 42 HD13 LEU 42 -2.684 -3.996 -7.481 324 HD21 LEU 42 HD21 LEU 42 -2.427 -4.211 -4.356 325 HD22 LEU 42 HD22 LEU 42 -1.304 -3.461 -5.492 326 HD23 LEU 42 HD23 LEU 42 -0.740 -4.731 -4.413 327 H GLU 43 H GLU 43 -1.557 -8.038 -1.962 328 HA GLU 43 HA GLU 43 -2.166 -10.890 -2.355 329 HB2 GLU 43 HB2 GLU 43 -0.214 -10.053 -0.899 330 HB3 GLU 43 HB3 GLU 43 -1.410 -9.435 0.228 331 HG2 GLU 43 HG2 GLU 43 -1.092 -12.352 -0.539 332 HG3 GLU 43 HG3 GLU 43 -0.364 -11.611 0.881 333 H GLN 44 H GLN 44 -4.330 -11.194 -2.543 334 HA GLN 44 HA GLN 44 -6.244 -9.811 -0.760 335 HB2 GLN 44 HB2 GLN 44 -6.595 -11.413 -3.330 336 HB3 GLN 44 HB3 GLN 44 -7.962 -11.034 -2.298 337 HG2 GLN 44 HG2 GLN 44 -7.833 -9.489 -4.184 338 HG3 GLN 44 HG3 GLN 44 -7.619 -8.638 -2.660 339 HE21 GLN 44 HE21 GLN 44 -5.998 -9.735 -5.578 340 HE22 GLN 44 HE22 GLN 44 -4.632 -8.690 -5.434 341 H ALA 45 H ALA 45 -6.210 -10.856 1.187 342 HA ALA 45 HA ALA 45 -6.088 -13.780 1.378 343 HB1 ALA 45 HB1 ALA 45 -5.819 -13.428 3.787 344 HB2 ALA 45 HB2 ALA 45 -6.147 -11.702 3.590 345 HB3 ALA 45 HB3 ALA 45 -4.696 -12.411 2.879 346 H GLY 46 H GLY 46 -8.467 -11.210 1.763 347 HA2 GLY 46 HA2 GLY 46 -10.832 -11.948 1.393 348 HA3 GLY 46 HA3 GLY 46 -10.550 -13.185 2.611 349 H ALA 47 H ALA 47 -9.212 -11.743 4.559 350 HA ALA 47 HA ALA 47 -11.019 -9.497 5.324 351 HB1 ALA 47 HB1 ALA 47 -10.460 -10.003 7.672 352 HB2 ALA 47 HB2 ALA 47 -9.405 -11.323 7.154 353 HB3 ALA 47 HB3 ALA 47 -11.145 -11.422 6.877 354 H ARG 48 H ARG 48 -7.742 -10.569 4.833 355 HA ARG 48 HA ARG 48 -6.577 -7.965 5.627 356 HB2 ARG 48 HB2 ARG 48 -5.644 -10.026 6.672 357 HB3 ARG 48 HB3 ARG 48 -5.246 -10.650 5.074 358 HG2 ARG 48 HG2 ARG 48 -3.733 -8.620 4.776 359 HG3 ARG 48 HG3 ARG 48 -4.018 -8.255 6.484 360 HD2 ARG 48 HD2 ARG 48 -1.934 -9.466 6.289 361 HD3 ARG 48 HD3 ARG 48 -3.121 -10.531 7.057 362 HE ARG 48 HE ARG 48 -3.016 -10.840 4.188 363 HH11 ARG 48 HH11 ARG 48 -1.480 -11.884 7.108 364 HH12 ARG 48 HH12 ARG 48 -0.885 -13.330 6.378 365 HH21 ARG 48 HH21 ARG 48 -2.261 -12.679 3.305 366 HH22 ARG 48 HH22 ARG 48 -1.328 -13.782 4.261 367 H GLN 49 H GLN 49 -5.516 -6.693 4.141 368 HA GLN 49 HA GLN 49 -5.075 -7.681 1.370 369 HB2 GLN 49 HB2 GLN 49 -5.789 -4.815 2.158 370 HB3 GLN 49 HB3 GLN 49 -5.552 -5.426 0.521 371 HG2 GLN 49 HG2 GLN 49 -7.810 -6.178 2.405 372 HG3 GLN 49 HG3 GLN 49 -7.922 -5.122 1.011 373 HE21 GLN 49 HE21 GLN 49 -6.339 -6.755 -0.772 374 HE22 GLN 49 HE22 GLN 49 -7.281 -8.138 -1.132 375 H VAL 50 H VAL 50 -2.944 -7.535 0.709 376 HA VAL 50 HA VAL 50 -1.121 -5.718 2.191 377 HB VAL 50 HB VAL 50 -0.369 -8.546 1.347 378 HG11 VAL 50 HG11 VAL 50 1.540 -7.004 1.367 379 HG12 VAL 50 HG12 VAL 50 1.677 -8.172 2.681 380 HG13 VAL 50 HG13 VAL 50 1.155 -6.520 3.021 381 HG21 VAL 50 HG21 VAL 50 -1.987 -8.672 3.195 382 HG22 VAL 50 HG22 VAL 50 -1.013 -7.550 4.148 383 HG23 VAL 50 HG23 VAL 50 -0.378 -9.148 3.748 384 H LEU 51 H LEU 51 -0.567 -4.186 0.693 385 HA LEU 51 HA LEU 51 0.400 -4.985 -1.978 386 HB2 LEU 51 HB2 LEU 51 -1.010 -3.048 -2.008 387 HB3 LEU 51 HB3 LEU 51 -0.156 -2.291 -0.695 388 HG LEU 51 HG LEU 51 0.092 -1.336 -3.149 389 HD11 LEU 51 HD11 LEU 51 2.315 -0.481 -2.697 390 HD12 LEU 51 HD12 LEU 51 2.569 -1.709 -1.452 391 HD13 LEU 51 HD13 LEU 51 1.328 -0.475 -1.236 392 HD21 LEU 51 HD21 LEU 51 1.924 -2.234 -4.473 393 HD22 LEU 51 HD22 LEU 51 0.697 -3.471 -4.235 394 HD23 LEU 51 HD23 LEU 51 2.192 -3.530 -3.303 395 H ARG 52 H ARG 52 2.424 -5.763 -2.013 396 HA ARG 52 HA ARG 52 4.538 -4.539 -0.334 397 HB2 ARG 52 HB2 ARG 52 4.674 -7.172 -1.872 398 HB3 ARG 52 HB3 ARG 52 5.855 -6.560 -0.709 399 HG2 ARG 52 HG2 ARG 52 4.050 -6.698 1.058 400 HG3 ARG 52 HG3 ARG 52 3.025 -7.496 -0.136 401 HD2 ARG 52 HD2 ARG 52 4.029 -9.194 1.247 402 HD3 ARG 52 HD3 ARG 52 4.778 -9.286 -0.352 403 HE ARG 52 HE ARG 52 6.344 -7.623 1.297 404 HH11 ARG 52 HH11 ARG 52 5.542 -10.994 1.047 405 HH12 ARG 52 HH12 ARG 52 7.026 -11.485 1.782 406 HH21 ARG 52 HH21 ARG 52 8.190 -8.296 2.257 407 HH22 ARG 52 HH22 ARG 52 8.498 -9.986 2.458 408 H VAL 53 H VAL 53 5.749 -3.006 -1.381 409 HA VAL 53 HA VAL 53 6.389 -3.349 -4.266 410 HB VAL 53 HB VAL 53 6.653 -0.821 -2.559 411 HG11 VAL 53 HG11 VAL 53 7.139 -1.194 -5.549 412 HG12 VAL 53 HG12 VAL 53 8.377 -0.891 -4.329 413 HG13 VAL 53 HG13 VAL 53 7.179 0.350 -4.691 414 HG21 VAL 53 HG21 VAL 53 4.290 -1.371 -3.030 415 HG22 VAL 53 HG22 VAL 53 4.641 -1.459 -4.757 416 HG23 VAL 53 HG23 VAL 53 4.782 0.081 -3.904 417 H GLN 54 H GLN 54 8.172 -4.618 -4.335 418 HA GLN 54 HA GLN 54 10.303 -4.551 -2.403 419 HB2 GLN 54 HB2 GLN 54 10.090 -5.960 -5.097 420 HB3 GLN 54 HB3 GLN 54 11.392 -6.217 -3.934 421 HG2 GLN 54 HG2 GLN 54 9.749 -7.048 -2.284 422 HG3 GLN 54 HG3 GLN 54 8.451 -6.802 -3.449 423 HE21 GLN 54 HE21 GLN 54 9.380 -9.266 -2.108 424 HE22 GLN 54 HE22 GLN 54 9.732 -10.378 -3.382 425 H GLY 55 H GLY 55 12.247 -3.532 -2.487 426 HA2 GLY 55 HA2 GLY 55 13.979 -2.181 -3.278 427 HA3 GLY 55 HA3 GLY 55 13.164 -2.031 -4.828 428 H ALA 56 H ALA 56 12.071 -1.321 -1.510 429 HA ALA 56 HA ALA 56 10.918 1.220 -2.340 430 HB1 ALA 56 HB1 ALA 56 9.584 -0.344 -0.982 431 HB2 ALA 56 HB2 ALA 56 9.806 1.197 -0.154 432 HB3 ALA 56 HB3 ALA 56 10.754 -0.212 0.334 433 H ARG 57 H ARG 57 12.164 3.023 -2.290 434 HA ARG 57 HA ARG 57 13.836 3.594 0.093 435 HB2 ARG 57 HB2 ARG 57 14.540 4.016 -2.821 436 HB3 ARG 57 HB3 ARG 57 15.223 5.079 -1.611 437 HG2 ARG 57 HG2 ARG 57 16.889 3.468 -1.951 438 HG3 ARG 57 HG3 ARG 57 16.103 2.940 -0.462 439 HD2 ARG 57 HD2 ARG 57 16.563 1.046 -1.936 440 HD3 ARG 57 HD3 ARG 57 14.825 1.262 -1.735 441 HE ARG 57 HE ARG 57 15.205 2.618 -3.989 442 HH11 ARG 57 HH11 ARG 57 16.462 -0.495 -3.150 443 HH12 ARG 57 HH12 ARG 57 16.468 -1.027 -4.793 444 HH21 ARG 57 HH21 ARG 57 15.235 1.900 -6.058 445 HH22 ARG 57 HH22 ARG 57 15.799 0.306 -6.413 446 H SER 58 H SER 58 12.846 5.568 -2.770 447 HA SER 58 HA SER 58 12.565 7.854 -0.904 448 HB2 SER 58 HB2 SER 58 13.075 9.252 -2.946 449 HB3 SER 58 HB3 SER 58 14.363 8.127 -2.515 450 HG SER 58 HG SER 58 13.897 8.131 -4.767 451 H GLY 59 H GLY 59 11.242 7.332 -4.215 452 HA2 GLY 59 HA2 GLY 59 8.930 8.941 -3.711 453 HA3 GLY 59 HA3 GLY 59 9.250 7.989 -5.150 454 H ASP 60 H ASP 60 9.538 5.732 -2.879 455 HA ASP 60 HA ASP 60 6.990 4.498 -3.285 456 HB2 ASP 60 HB2 ASP 60 9.116 3.797 -1.216 457 HB3 ASP 60 HB3 ASP 60 7.867 2.726 -1.857 458 H ALA 61 H ALA 61 8.259 6.634 -0.850 459 HA ALA 61 HA ALA 61 6.209 6.298 1.132 460 HB1 ALA 61 HB1 ALA 61 7.135 8.386 2.092 461 HB2 ALA 61 HB2 ALA 61 8.128 8.612 0.648 462 HB3 ALA 61 HB3 ALA 61 8.415 7.232 1.709 463 H GLY 62 H GLY 62 4.201 7.212 1.140 464 HA2 GLY 62 HA2 GLY 62 3.276 9.566 0.084 465 HA3 GLY 62 HA3 GLY 62 3.226 8.443 -1.275 466 H GLU 63 H GLU 63 0.865 9.379 -0.776 467 HA GLU 63 HA GLU 63 -0.564 7.915 1.294 468 HB2 GLU 63 HB2 GLU 63 -1.658 9.781 -0.853 469 HB3 GLU 63 HB3 GLU 63 -2.567 9.115 0.495 470 HG2 GLU 63 HG2 GLU 63 -2.067 11.351 1.093 471 HG3 GLU 63 HG3 GLU 63 -0.980 10.347 2.051 472 H TYR 64 H TYR 64 -1.176 5.857 0.958 473 HA TYR 64 HA TYR 64 -1.879 4.928 -1.763 474 HB2 TYR 64 HB2 TYR 64 -1.145 3.390 0.752 475 HB3 TYR 64 HB3 TYR 64 -1.794 2.612 -0.687 476 HD1 TYR 64 HD2 TYR 64 1.036 4.777 0.470 477 HD2 TYR 64 HD1 TYR 64 -0.336 1.967 -2.453 478 HE1 TYR 64 HE2 TYR 64 3.321 4.581 -0.424 479 HE2 TYR 64 HE1 TYR 64 1.936 1.792 -3.357 480 HH TYR 64 HH TYR 64 4.672 3.010 -1.764 481 H LEU 65 H LEU 65 -3.908 4.692 -2.292 482 HA LEU 65 HA LEU 65 -6.061 4.926 -0.320 483 HB2 LEU 65 HB2 LEU 65 -5.968 6.418 -2.299 484 HB3 LEU 65 HB3 LEU 65 -6.026 5.021 -3.354 485 HG LEU 65 HG LEU 65 -8.330 4.511 -2.504 486 HD11 LEU 65 HD11 LEU 65 -9.573 6.233 -1.254 487 HD12 LEU 65 HD12 LEU 65 -8.093 7.178 -1.066 488 HD13 LEU 65 HD13 LEU 65 -8.230 5.589 -0.310 489 HD21 LEU 65 HD21 LEU 65 -7.991 5.715 -4.610 490 HD22 LEU 65 HD22 LEU 65 -7.950 7.257 -3.749 491 HD23 LEU 65 HD23 LEU 65 -9.435 6.302 -3.783 492 H CYS 66 H CYS 66 -6.345 2.914 0.575 493 HA CYS 66 HA CYS 66 -6.580 0.492 -1.061 494 HB2 CYS 66 HB2 CYS 66 -5.347 0.459 1.118 495 HB3 CYS 66 HB3 CYS 66 -6.849 0.830 1.958 496 HG CYS 66 HG CYS 66 -6.058 -2.038 0.282 497 H ASP 67 H ASP 67 -8.430 0.932 -2.224 498 HA ASP 67 HA ASP 67 -10.899 1.864 -1.154 499 HB2 ASP 67 HB2 ASP 67 -10.160 2.337 -3.459 500 HB3 ASP 67 HB3 ASP 67 -10.217 0.626 -3.853 501 H ALA 68 H ALA 68 -11.734 0.544 0.388 502 HA ALA 68 HA ALA 68 -11.743 -2.331 0.322 503 HB1 ALA 68 HB1 ALA 68 -12.845 -2.137 2.506 504 HB2 ALA 68 HB2 ALA 68 -13.131 -0.417 2.231 505 HB3 ALA 68 HB3 ALA 68 -11.484 -1.018 2.405 506 HA PRO 69 HA PRO 69 -15.970 -3.057 -1.265 507 HB2 PRO 69 HB2 PRO 69 -16.765 -5.287 0.072 508 HB3 PRO 69 HB3 PRO 69 -15.487 -5.329 -1.147 509 HG2 PRO 69 HG2 PRO 69 -15.226 -5.200 1.860 510 HG3 PRO 69 HG3 PRO 69 -14.378 -6.264 0.715 511 HD2 PRO 69 HD2 PRO 69 -13.237 -3.996 1.698 512 HD3 PRO 69 HD3 PRO 69 -12.892 -4.590 0.060 513 H GLN 70 H GLN 70 -15.443 -2.040 1.934 514 HA GLN 70 HA GLN 70 -18.341 -1.649 2.459 515 HB2 GLN 70 HB2 GLN 70 -17.261 -3.150 4.117 516 HB3 GLN 70 HB3 GLN 70 -16.072 -1.907 4.482 517 HG2 GLN 70 HG2 GLN 70 -17.774 -1.993 6.224 518 HG3 GLN 70 HG3 GLN 70 -17.859 -0.450 5.379 519 HE21 GLN 70 HE21 GLN 70 -19.684 -0.023 4.049 520 HE22 GLN 70 HE22 GLN 70 -21.127 -0.965 4.154 521 H ASP 71 H ASP 71 -15.134 -0.182 3.179 522 HA ASP 71 HA ASP 71 -16.074 2.495 2.518 523 HB2 ASP 71 HB2 ASP 71 -16.774 2.175 4.909 524 HB3 ASP 71 HB3 ASP 71 -15.099 1.846 5.344 525 H SER 72 H SER 72 -14.456 3.410 1.385 526 HA SER 72 HA SER 72 -11.929 2.215 0.983 527 HB2 SER 72 HB2 SER 72 -13.027 3.607 -0.738 528 HB3 SER 72 HB3 SER 72 -12.817 5.041 0.266 529 HG SER 72 HG SER 72 -11.191 4.740 -1.391 530 H ARG 73 H ARG 73 -10.008 2.443 1.987 531 HA ARG 73 HA ARG 73 -9.735 4.397 4.193 532 HB2 ARG 73 HB2 ARG 73 -9.643 1.852 4.665 533 HB3 ARG 73 HB3 ARG 73 -8.086 1.858 3.851 534 HG2 ARG 73 HG2 ARG 73 -7.499 2.014 6.122 535 HG3 ARG 73 HG3 ARG 73 -7.411 3.691 5.580 536 HD2 ARG 73 HD2 ARG 73 -9.731 2.426 7.103 537 HD3 ARG 73 HD3 ARG 73 -8.515 3.495 7.791 538 HE ARG 73 HE ARG 73 -9.447 5.311 6.492 539 HH11 ARG 73 HH11 ARG 73 -11.464 2.490 6.624 540 HH12 ARG 73 HH12 ARG 73 -12.893 3.382 6.216 541 HH21 ARG 73 HH21 ARG 73 -11.311 6.395 5.954 542 HH22 ARG 73 HH22 ARG 73 -12.808 5.529 5.858 543 H ILE 74 H ILE 74 -7.851 5.632 4.402 544 HA ILE 74 HA ILE 74 -5.987 5.682 2.089 545 HB ILE 74 HB ILE 74 -6.467 7.889 4.146 546 HG12 ILE 74 HG12 ILE 74 -7.512 7.752 1.277 547 HG13 ILE 74 HG13 ILE 74 -8.497 7.530 2.722 548 HG21 ILE 74 HG21 ILE 74 -4.218 7.984 3.160 549 HG22 ILE 74 HG22 ILE 74 -5.190 9.343 2.594 550 HG23 ILE 74 HG23 ILE 74 -4.905 7.962 1.532 551 HD11 ILE 74 HD11 ILE 74 -7.059 10.059 1.910 552 HD12 ILE 74 HD12 ILE 74 -7.990 9.846 3.396 553 HD13 ILE 74 HD13 ILE 74 -8.792 9.750 1.829 554 H PHE 75 H PHE 75 -3.795 5.661 2.445 555 HA PHE 75 HA PHE 75 -2.744 4.981 5.120 556 HB2 PHE 75 HB2 PHE 75 -1.823 4.316 2.312 557 HB3 PHE 75 HB3 PHE 75 -0.677 4.278 3.637 558 HD1 PHE 75 HD2 PHE 75 -4.138 2.976 2.901 559 HD2 PHE 75 HD1 PHE 75 -0.264 2.200 4.547 560 HE1 PHE 75 HE2 PHE 75 -4.810 0.676 3.435 561 HE2 PHE 75 HE1 PHE 75 -0.952 -0.095 5.071 562 HZ PHE 75 HZ PHE 75 -3.220 -0.848 4.519 563 H LEU 76 H LEU 76 -1.314 6.365 6.095 564 HA LEU 76 HA LEU 76 0.122 8.370 4.444 565 HB2 LEU 76 HB2 LEU 76 -0.103 8.162 7.477 566 HB3 LEU 76 HB3 LEU 76 0.797 9.400 6.608 567 HG LEU 76 HG LEU 76 -2.219 9.006 6.512 568 HD11 LEU 76 HD11 LEU 76 -0.619 11.207 7.845 569 HD12 LEU 76 HD12 LEU 76 -1.482 9.902 8.664 570 HD13 LEU 76 HD13 LEU 76 -2.380 11.105 7.744 571 HD21 LEU 76 HD21 LEU 76 -0.521 11.143 5.177 572 HD22 LEU 76 HD22 LEU 76 -2.285 11.115 5.226 573 HD23 LEU 76 HD23 LEU 76 -1.410 9.852 4.366 574 H VAL 77 H VAL 77 1.671 7.132 3.507 575 HA VAL 77 HA VAL 77 3.244 5.229 5.123 576 HB VAL 77 HB VAL 77 2.900 5.481 2.111 577 HG11 VAL 77 HG11 VAL 77 5.205 4.766 2.560 578 HG12 VAL 77 HG12 VAL 77 4.267 3.422 1.909 579 HG13 VAL 77 HG13 VAL 77 4.623 3.492 3.636 580 HG21 VAL 77 HG21 VAL 77 1.779 3.283 2.303 581 HG22 VAL 77 HG22 VAL 77 0.967 4.502 3.288 582 HG23 VAL 77 HG23 VAL 77 2.020 3.309 4.053 583 H SER 78 H SER 78 5.283 5.583 5.602 584 HA SER 78 HA SER 78 6.926 7.516 4.059 585 HB2 SER 78 HB2 SER 78 8.073 8.089 6.205 586 HB3 SER 78 HB3 SER 78 6.360 8.504 6.249 587 HG SER 78 HG SER 78 6.922 7.471 8.157 588 H VAL 79 H VAL 79 8.613 6.450 3.109 589 HA VAL 79 HA VAL 79 9.695 4.004 4.381 590 HB VAL 79 HB VAL 79 10.277 5.019 1.555 591 HG11 VAL 79 HG11 VAL 79 10.883 2.343 2.894 592 HG12 VAL 79 HG12 VAL 79 12.064 3.586 2.471 593 HG13 VAL 79 HG13 VAL 79 11.195 2.729 1.199 594 HG21 VAL 79 HG21 VAL 79 7.891 4.421 1.715 595 HG22 VAL 79 HG22 VAL 79 8.307 2.857 2.419 596 HG23 VAL 79 HG23 VAL 79 8.754 3.219 0.750 597 H GLU 80 H GLU 80 11.222 4.509 5.747 598 HA GLU 80 HA GLU 80 13.566 6.031 5.285 599 HB2 GLU 80 HB2 GLU 80 13.036 7.908 6.923 600 HB3 GLU 80 HB3 GLU 80 12.152 8.000 5.404 601 HG2 GLU 80 HG2 GLU 80 10.157 7.010 6.527 602 HG3 GLU 80 HG3 GLU 80 11.048 6.999 8.054 603 H GLU 81 H GLU 81 14.183 6.776 7.933 604 HA GLU 81 HA GLU 81 15.182 5.942 9.779 605 HB2 GLU 81 HB2 GLU 81 12.918 5.583 10.631 606 HB3 GLU 81 HB3 GLU 81 12.792 4.060 9.763 607 HG2 GLU 81 HG2 GLU 81 14.558 3.098 11.216 608 HG3 GLU 81 HG3 GLU 81 14.640 4.624 12.103 609 HA PRO 82 HA PRO 82 17.396 2.933 7.010 610 HB2 PRO 82 HB2 PRO 82 19.957 3.625 7.863 611 HB3 PRO 82 HB3 PRO 82 19.065 4.475 6.593 612 HG2 PRO 82 HG2 PRO 82 19.345 5.180 9.514 613 HG3 PRO 82 HG3 PRO 82 19.449 6.246 8.098 614 HD2 PRO 82 HD2 PRO 82 17.208 6.130 9.594 615 HD3 PRO 82 HD3 PRO 82 17.117 6.330 7.830 Start of MODEL 11 1 H MET 1 H1 MET 1 -6.513 7.162 9.840 2 HA MET 1 HA MET 1 -6.342 6.070 7.100 3 HB2 MET 1 HB2 MET 1 -4.569 8.067 8.574 4 HB3 MET 1 HB3 MET 1 -4.158 7.331 7.028 5 HG2 MET 1 HG2 MET 1 -6.174 8.363 6.025 6 HG3 MET 1 HG3 MET 1 -6.512 9.156 7.565 7 HE1 MET 1 HE1 MET 1 -5.257 12.097 5.220 8 HE2 MET 1 HE2 MET 1 -6.586 11.542 6.238 9 HE3 MET 1 HE3 MET 1 -6.219 10.703 4.727 10 H THR 2 H THR 2 -4.663 4.559 6.763 11 HA THR 2 HA THR 2 -3.916 2.998 9.162 12 HB THR 2 HB THR 2 -3.930 2.028 6.265 13 HG1 THR 2 HG1 THR 2 -6.052 1.890 8.163 14 HG21 THR 2 HG21 THR 2 -2.742 0.509 7.803 15 HG22 THR 2 HG22 THR 2 -4.273 -0.217 7.285 16 HG23 THR 2 HG23 THR 2 -4.134 0.501 8.894 17 H ARG 3 H ARG 3 -1.983 4.066 9.766 18 HA ARG 3 HA ARG 3 0.029 4.892 7.838 19 HB2 ARG 3 HB2 ARG 3 0.146 4.935 10.888 20 HB3 ARG 3 HB3 ARG 3 1.345 5.652 9.825 21 HG2 ARG 3 HG2 ARG 3 0.047 7.453 10.608 22 HG3 ARG 3 HG3 ARG 3 -0.509 7.179 8.958 23 HD2 ARG 3 HD2 ARG 3 -2.520 6.104 9.746 24 HD3 ARG 3 HD3 ARG 3 -1.913 6.067 11.405 25 HE ARG 3 HE ARG 3 -2.282 8.689 10.155 26 HH11 ARG 3 HH11 ARG 3 -3.512 6.340 12.401 27 HH12 ARG 3 HH12 ARG 3 -4.493 7.504 13.220 28 HH21 ARG 3 HH21 ARG 3 -3.535 10.140 11.233 29 HH22 ARG 3 HH22 ARG 3 -4.513 9.615 12.562 30 H VAL 4 H VAL 4 1.979 3.947 7.375 31 HA VAL 4 HA VAL 4 3.059 1.733 9.012 32 HB VAL 4 HB VAL 4 2.730 1.571 5.964 33 HG11 VAL 4 HG11 VAL 4 3.754 -0.686 6.121 34 HG12 VAL 4 HG12 VAL 4 4.060 -0.426 7.839 35 HG13 VAL 4 HG13 VAL 4 4.879 0.575 6.637 36 HG21 VAL 4 HG21 VAL 4 0.609 1.047 7.101 37 HG22 VAL 4 HG22 VAL 4 1.425 -0.133 8.127 38 HG23 VAL 4 HG23 VAL 4 1.295 -0.419 6.390 39 H ARG 5 H ARG 5 5.287 1.901 9.258 40 HA ARG 5 HA ARG 5 6.723 4.084 7.913 41 HB2 ARG 5 HB2 ARG 5 6.870 3.677 10.433 42 HB3 ARG 5 HB3 ARG 5 7.784 2.217 10.076 43 HG2 ARG 5 HG2 ARG 5 9.489 3.660 8.887 44 HG3 ARG 5 HG3 ARG 5 8.601 5.080 9.445 45 HD2 ARG 5 HD2 ARG 5 9.974 2.996 11.178 46 HD3 ARG 5 HD3 ARG 5 10.517 4.651 10.903 47 HE ARG 5 HE ARG 5 8.108 5.074 11.975 48 HH11 ARG 5 HH11 ARG 5 10.627 2.924 13.033 49 HH12 ARG 5 HH12 ARG 5 10.186 3.081 14.697 50 HH21 ARG 5 HH21 ARG 5 7.579 5.239 14.101 51 HH22 ARG 5 HH22 ARG 5 8.482 4.370 15.293 52 H SER 6 H SER 6 8.648 3.762 6.662 53 HA SER 6 HA SER 6 9.125 1.013 5.646 54 HB2 SER 6 HB2 SER 6 7.697 2.240 4.047 55 HB3 SER 6 HB3 SER 6 8.876 3.548 3.972 56 HG SER 6 HG SER 6 8.947 1.925 2.241 57 H THR 7 H THR 7 11.183 0.730 4.530 58 HA THR 7 HA THR 7 13.395 2.334 5.690 59 HB THR 7 HB THR 7 14.761 0.167 5.320 60 HG1 THR 7 HG1 THR 7 13.770 -1.511 4.553 61 HG21 THR 7 HG21 THR 7 13.985 -0.878 7.419 62 HG22 THR 7 HG22 THR 7 12.543 0.139 7.389 63 HG23 THR 7 HG23 THR 7 14.143 0.875 7.560 64 HA PRO 8 HA PRO 8 14.702 3.277 1.536 65 HB2 PRO 8 HB2 PRO 8 17.211 4.133 1.921 66 HB3 PRO 8 HB3 PRO 8 15.851 4.919 2.741 67 HG2 PRO 8 HG2 PRO 8 17.733 2.841 3.846 68 HG3 PRO 8 HG3 PRO 8 17.262 4.400 4.561 69 HD2 PRO 8 HD2 PRO 8 16.049 2.029 5.219 70 HD3 PRO 8 HD3 PRO 8 15.212 3.595 5.282 71 H GLY 9 H GLY 9 14.569 1.366 0.351 72 HA2 GLY 9 HA2 GLY 9 15.912 0.256 -1.364 73 HA3 GLY 9 HA3 GLY 9 17.098 -0.128 -0.131 74 H GLY 10 H GLY 10 14.447 -0.739 1.578 75 HA2 GLY 10 HA2 GLY 10 14.574 -3.615 1.111 76 HA3 GLY 10 HA3 GLY 10 13.688 -2.791 2.385 77 H ASP 11 H ASP 11 11.769 -3.955 2.119 78 HA ASP 11 HA ASP 11 10.166 -3.172 -0.237 79 HB2 ASP 11 HB2 ASP 11 9.008 -5.361 -0.222 80 HB3 ASP 11 HB3 ASP 11 10.720 -5.521 -0.580 81 H LEU 12 H LEU 12 8.371 -2.115 0.273 82 HA LEU 12 HA LEU 12 7.414 -1.795 2.978 83 HB2 LEU 12 HB2 LEU 12 7.312 0.070 1.382 84 HB3 LEU 12 HB3 LEU 12 6.326 -0.885 0.288 85 HG LEU 12 HG LEU 12 4.523 -0.922 2.098 86 HD11 LEU 12 HD11 LEU 12 4.602 0.778 3.855 87 HD12 LEU 12 HD12 LEU 12 6.243 1.219 3.380 88 HD13 LEU 12 HD13 LEU 12 5.914 -0.387 4.038 89 HD21 LEU 12 HD21 LEU 12 4.333 0.529 0.142 90 HD22 LEU 12 HD22 LEU 12 5.284 1.779 0.949 91 HD23 LEU 12 HD23 LEU 12 3.695 1.334 1.576 92 H GLU 13 H GLU 13 6.006 -3.236 3.957 93 HA GLU 13 HA GLU 13 4.025 -4.640 2.247 94 HB2 GLU 13 HB2 GLU 13 5.506 -6.272 3.364 95 HB3 GLU 13 HB3 GLU 13 5.146 -5.556 4.936 96 HG2 GLU 13 HG2 GLU 13 2.744 -6.181 4.618 97 HG3 GLU 13 HG3 GLU 13 3.187 -6.973 3.108 98 H LEU 14 H LEU 14 2.148 -3.582 2.358 99 HA LEU 14 HA LEU 14 1.213 -2.285 4.817 100 HB2 LEU 14 HB2 LEU 14 -0.093 -2.491 2.066 101 HB3 LEU 14 HB3 LEU 14 -0.627 -1.463 3.393 102 HG LEU 14 HG LEU 14 2.003 -1.176 1.876 103 HD11 LEU 14 HD11 LEU 14 1.076 0.885 0.975 104 HD12 LEU 14 HD12 LEU 14 -0.449 0.598 1.819 105 HD13 LEU 14 HD13 LEU 14 0.072 -0.497 0.535 106 HD21 LEU 14 HD21 LEU 14 2.278 -0.487 4.205 107 HD22 LEU 14 HD22 LEU 14 0.870 0.573 4.083 108 HD23 LEU 14 HD23 LEU 14 2.320 0.907 3.130 109 H VAL 15 H VAL 15 0.576 -3.887 6.253 110 HA VAL 15 HA VAL 15 -1.164 -6.096 5.388 111 HB VAL 15 HB VAL 15 -0.146 -5.478 8.205 112 HG11 VAL 15 HG11 VAL 15 -2.172 -6.900 8.196 113 HG12 VAL 15 HG12 VAL 15 -0.762 -7.823 8.715 114 HG13 VAL 15 HG13 VAL 15 -1.391 -8.025 7.079 115 HG21 VAL 15 HG21 VAL 15 1.542 -7.240 7.831 116 HG22 VAL 15 HG22 VAL 15 1.749 -5.910 6.690 117 HG23 VAL 15 HG23 VAL 15 0.999 -7.418 6.160 118 H VAL 16 H VAL 16 -3.282 -5.622 5.204 119 HA VAL 16 HA VAL 16 -4.359 -3.260 6.599 120 HB VAL 16 HB VAL 16 -5.715 -4.752 4.317 121 HG11 VAL 16 HG11 VAL 16 -6.805 -2.596 3.892 122 HG12 VAL 16 HG12 VAL 16 -5.930 -1.873 5.244 123 HG13 VAL 16 HG13 VAL 16 -7.110 -3.151 5.541 124 HG21 VAL 16 HG21 VAL 16 -4.670 -3.164 2.735 125 HG22 VAL 16 HG22 VAL 16 -3.473 -4.201 3.514 126 HG23 VAL 16 HG23 VAL 16 -3.667 -2.530 4.040 127 H HIS 17 H HIS 17 -5.413 -3.708 8.453 128 HA HIS 17 HA HIS 17 -6.976 -6.174 8.780 129 HB2 HIS 17 HB2 HIS 17 -6.188 -3.948 10.695 130 HB3 HIS 17 HB3 HIS 17 -7.270 -5.266 11.148 131 HD1 HIS 17 HD1 HIS 17 -3.699 -4.738 9.931 132 HD2 HIS 17 HD2 HIS 17 -5.988 -7.577 11.925 133 HE1 HIS 17 HE1 HIS 17 -2.096 -6.545 10.591 134 HE2 HIS 17 HE2 HIS 17 -3.457 -8.119 11.998 135 H LEU 18 H LEU 18 -7.837 -4.063 6.872 136 HA LEU 18 HA LEU 18 -10.303 -2.955 7.413 137 HB2 LEU 18 HB2 LEU 18 -9.058 -4.257 5.016 138 HB3 LEU 18 HB3 LEU 18 -10.805 -4.114 4.946 139 HG LEU 18 HG LEU 18 -8.804 -1.830 5.163 140 HD11 LEU 18 HD11 LEU 18 -8.932 -2.794 2.919 141 HD12 LEU 18 HD12 LEU 18 -9.659 -1.188 2.938 142 HD13 LEU 18 HD13 LEU 18 -10.690 -2.622 2.918 143 HD21 LEU 18 HD21 LEU 18 -11.826 -1.706 5.150 144 HD22 LEU 18 HD22 LEU 18 -10.735 -0.328 4.991 145 HD23 LEU 18 HD23 LEU 18 -10.748 -1.263 6.480 146 H SER 19 H SER 19 -12.492 -3.739 7.319 147 HA SER 19 HA SER 19 -13.025 -6.484 8.062 148 HB2 SER 19 HB2 SER 19 -14.533 -4.699 8.848 149 HB3 SER 19 HB3 SER 19 -14.919 -4.251 7.187 150 HG SER 19 HG SER 19 -16.506 -5.601 7.469 151 H GLY 20 H GLY 20 -11.822 -7.437 6.268 152 HA2 GLY 20 HA2 GLY 20 -12.137 -6.901 3.562 153 HA3 GLY 20 HA3 GLY 20 -11.519 -8.397 4.226 154 HA PRO 21 HA PRO 21 -16.051 -9.179 2.766 155 HB2 PRO 21 HB2 PRO 21 -16.761 -7.960 0.488 156 HB3 PRO 21 HB3 PRO 21 -16.804 -7.074 2.020 157 HG2 PRO 21 HG2 PRO 21 -14.701 -7.012 -0.145 158 HG3 PRO 21 HG3 PRO 21 -15.431 -5.654 0.738 159 HD2 PRO 21 HD2 PRO 21 -12.982 -6.812 1.396 160 HD3 PRO 21 HD3 PRO 21 -13.993 -5.898 2.535 161 H GLY 22 H GLY 22 -13.316 -10.243 2.084 162 HA2 GLY 22 HA2 GLY 22 -12.505 -12.054 0.895 163 HA3 GLY 22 HA3 GLY 22 -13.970 -12.066 -0.076 164 H GLY 23 H GLY 23 -14.114 -9.838 -1.407 165 HA2 GLY 23 HA2 GLY 23 -12.165 -8.300 -2.388 166 HA3 GLY 23 HA3 GLY 23 -11.805 -9.821 -3.199 167 HA PRO 24 HA PRO 24 -11.144 -8.129 -4.658 168 HB2 PRO 24 HB2 PRO 24 -11.126 -6.637 -6.887 169 HB3 PRO 24 HB3 PRO 24 -11.413 -8.382 -6.969 170 HG2 PRO 24 HG2 PRO 24 -13.406 -6.126 -7.122 171 HG3 PRO 24 HG3 PRO 24 -13.337 -7.624 -8.071 172 HD2 PRO 24 HD2 PRO 24 -14.961 -7.217 -5.813 173 HD3 PRO 24 HD3 PRO 24 -14.524 -8.802 -6.486 174 H VAL 25 H VAL 25 -9.916 -6.394 -3.919 175 HA VAL 25 HA VAL 25 -11.260 -3.789 -3.418 176 HB VAL 25 HB VAL 25 -8.943 -5.044 -1.882 177 HG11 VAL 25 HG11 VAL 25 -10.334 -2.375 -1.404 178 HG12 VAL 25 HG12 VAL 25 -8.670 -2.598 -1.952 179 HG13 VAL 25 HG13 VAL 25 -9.139 -3.107 -0.328 180 HG21 VAL 25 HG21 VAL 25 -11.816 -4.541 -0.994 181 HG22 VAL 25 HG22 VAL 25 -10.525 -5.194 0.018 182 HG23 VAL 25 HG23 VAL 25 -11.112 -6.120 -1.365 183 H ARG 26 H ARG 26 -10.271 -1.939 -4.164 184 HA ARG 26 HA ARG 26 -8.171 -2.282 -6.207 185 HB2 ARG 26 HB2 ARG 26 -10.121 0.020 -5.714 186 HB3 ARG 26 HB3 ARG 26 -9.009 -0.105 -7.081 187 HG2 ARG 26 HG2 ARG 26 -10.212 -2.115 -7.878 188 HG3 ARG 26 HG3 ARG 26 -11.303 -2.022 -6.493 189 HD2 ARG 26 HD2 ARG 26 -11.033 0.094 -8.660 190 HD3 ARG 26 HD3 ARG 26 -12.304 -1.128 -8.582 191 HE ARG 26 HE ARG 26 -12.143 0.551 -6.222 192 HH11 ARG 26 HH11 ARG 26 -13.521 0.299 -9.391 193 HH12 ARG 26 HH12 ARG 26 -14.834 1.354 -9.012 194 HH21 ARG 26 HH21 ARG 26 -13.844 1.894 -5.783 195 HH22 ARG 26 HH22 ARG 26 -15.017 2.242 -7.003 196 H TRP 27 H TRP 27 -6.161 -1.504 -5.833 197 HA TRP 27 HA TRP 27 -5.642 0.384 -3.618 198 HB2 TRP 27 HB2 TRP 27 -3.874 -1.510 -5.214 199 HB3 TRP 27 HB3 TRP 27 -3.180 -0.247 -4.204 200 HD1 TRP 27 HD1 TRP 27 -5.048 -3.603 -3.909 201 HE1 TRP 27 HE1 TRP 27 -4.795 -4.425 -1.484 202 HE3 TRP 27 HE3 TRP 27 -2.962 0.587 -1.847 203 HZ2 TRP 27 HZ2 TRP 27 -3.852 -3.419 0.970 204 HZ3 TRP 27 HZ3 TRP 27 -2.426 0.584 0.555 205 HH2 TRP 27 HH2 TRP 27 -2.868 -1.382 1.935 206 H TYR 28 H TYR 28 -4.693 2.398 -3.940 207 HA TYR 28 HA TYR 28 -3.971 3.249 -6.694 208 HB2 TYR 28 HB2 TYR 28 -5.689 4.856 -4.739 209 HB3 TYR 28 HB3 TYR 28 -5.088 5.462 -6.279 210 HD1 TYR 28 HD1 TYR 28 -6.076 4.621 -8.421 211 HD2 TYR 28 HD2 TYR 28 -7.620 3.344 -4.642 212 HE1 TYR 28 HE1 TYR 28 -8.102 3.786 -9.526 213 HE2 TYR 28 HE2 TYR 28 -9.642 2.504 -5.762 214 HH TYR 28 HH TYR 28 -10.900 2.849 -7.804 215 H LYS 29 H LYS 29 -1.896 4.037 -6.695 216 HA LYS 29 HA LYS 29 -0.902 5.541 -4.318 217 HB2 LYS 29 HB2 LYS 29 0.442 3.535 -4.574 218 HB3 LYS 29 HB3 LYS 29 0.677 3.834 -6.285 219 HG2 LYS 29 HG2 LYS 29 2.715 4.368 -5.039 220 HG3 LYS 29 HG3 LYS 29 2.056 5.811 -5.783 221 HD2 LYS 29 HD2 LYS 29 1.298 6.685 -3.692 222 HD3 LYS 29 HD3 LYS 29 1.488 5.134 -2.875 223 HE2 LYS 29 HE2 LYS 29 3.256 6.766 -2.251 224 HE3 LYS 29 HE3 LYS 29 3.914 5.314 -2.985 225 HZ1 LYS 29 HZ1 LYS 29 3.566 7.944 -4.304 226 HZ2 LYS 29 HZ2 LYS 29 4.138 6.549 -5.066 227 HZ3 LYS 29 HZ3 LYS 29 5.026 7.250 -3.806 228 H ASP 30 H ASP 30 -0.260 7.596 -4.642 229 HA ASP 30 HA ASP 30 -0.010 9.639 -5.576 230 HB2 ASP 30 HB2 ASP 30 1.087 8.050 -7.936 231 HB3 ASP 30 HB3 ASP 30 1.246 9.784 -7.743 232 H GLY 31 H GLY 31 -2.550 8.192 -5.899 233 HA2 GLY 31 HA2 GLY 31 -4.628 8.882 -6.662 234 HA3 GLY 31 HA3 GLY 31 -3.855 9.935 -7.832 235 H GLU 32 H GLU 32 -2.426 6.923 -8.266 236 HA GLU 32 HA GLU 32 -4.468 6.102 -10.268 237 HB2 GLU 32 HB2 GLU 32 -2.432 7.257 -11.299 238 HB3 GLU 32 HB3 GLU 32 -1.463 5.895 -10.752 239 HG2 GLU 32 HG2 GLU 32 -2.967 4.367 -12.078 240 HG3 GLU 32 HG3 GLU 32 -3.794 5.793 -12.699 241 H ARG 33 H ARG 33 -4.685 3.890 -10.677 242 HA ARG 33 HA ARG 33 -4.460 2.301 -8.356 243 HB2 ARG 33 HB2 ARG 33 -5.722 0.643 -9.476 244 HB3 ARG 33 HB3 ARG 33 -6.311 2.174 -10.091 245 HG2 ARG 33 HG2 ARG 33 -4.312 0.434 -11.554 246 HG3 ARG 33 HG3 ARG 33 -6.057 0.339 -11.813 247 HD2 ARG 33 HD2 ARG 33 -6.017 2.743 -12.536 248 HD3 ARG 33 HD3 ARG 33 -4.257 2.733 -12.357 249 HE ARG 33 HE ARG 33 -5.639 0.894 -14.223 250 HH11 ARG 33 HH11 ARG 33 -3.139 3.242 -13.696 251 HH12 ARG 33 HH12 ARG 33 -2.599 3.167 -15.332 252 HH21 ARG 33 HH21 ARG 33 -4.908 0.816 -16.277 253 HH22 ARG 33 HH22 ARG 33 -3.578 1.806 -16.771 254 H LEU 34 H LEU 34 -3.465 0.255 -7.998 255 HA LEU 34 HA LEU 34 -0.793 -0.055 -9.165 256 HB2 LEU 34 HB2 LEU 34 -2.164 -1.340 -6.774 257 HB3 LEU 34 HB3 LEU 34 -0.630 -1.940 -7.373 258 HG LEU 34 HG LEU 34 -0.237 -0.513 -5.450 259 HD11 LEU 34 HD11 LEU 34 1.376 1.055 -6.349 260 HD12 LEU 34 HD12 LEU 34 0.641 0.948 -7.951 261 HD13 LEU 34 HD13 LEU 34 1.435 -0.460 -7.247 262 HD21 LEU 34 HD21 LEU 34 -0.816 1.868 -5.415 263 HD22 LEU 34 HD22 LEU 34 -2.245 0.846 -5.516 264 HD23 LEU 34 HD23 LEU 34 -1.665 1.684 -6.956 265 H ALA 35 H ALA 35 0.002 -2.220 -9.704 266 HA ALA 35 HA ALA 35 -1.929 -4.153 -10.786 267 HB1 ALA 35 HB1 ALA 35 -0.875 -4.111 -13.016 268 HB2 ALA 35 HB2 ALA 35 0.188 -2.796 -12.500 269 HB3 ALA 35 HB3 ALA 35 -1.553 -2.532 -12.608 270 H SER 36 H SER 36 -1.267 -5.964 -9.781 271 HA SER 36 HA SER 36 1.326 -6.402 -8.699 272 HB2 SER 36 HB2 SER 36 0.453 -8.701 -8.143 273 HB3 SER 36 HB3 SER 36 -0.594 -7.393 -7.605 274 HG SER 36 HG SER 36 -0.952 -8.993 -9.937 275 H GLN 37 H GLN 37 2.900 -6.343 -10.310 276 HA GLN 37 HA GLN 37 3.123 -8.754 -12.014 277 HB2 GLN 37 HB2 GLN 37 3.426 -5.890 -13.029 278 HB3 GLN 37 HB3 GLN 37 3.958 -7.305 -13.932 279 HG2 GLN 37 HG2 GLN 37 1.646 -8.123 -14.060 280 HG3 GLN 37 HG3 GLN 37 1.084 -6.753 -13.104 281 HE21 GLN 37 HE21 GLN 37 1.007 -4.689 -14.088 282 HE22 GLN 37 HE22 GLN 37 1.067 -4.503 -15.805 283 H GLY 38 H GLY 38 5.065 -5.736 -11.649 284 HA2 GLY 38 HA2 GLY 38 7.521 -7.342 -11.322 285 HA3 GLY 38 HA3 GLY 38 7.427 -5.635 -11.722 286 H ARG 39 H ARG 39 7.343 -4.092 -10.080 287 HA ARG 39 HA ARG 39 8.451 -4.858 -7.546 288 HB2 ARG 39 HB2 ARG 39 8.441 -2.501 -6.971 289 HB3 ARG 39 HB3 ARG 39 8.968 -2.677 -8.639 290 HG2 ARG 39 HG2 ARG 39 6.771 -1.924 -9.444 291 HG3 ARG 39 HG3 ARG 39 6.176 -1.832 -7.785 292 HD2 ARG 39 HD2 ARG 39 7.937 -0.099 -7.315 293 HD3 ARG 39 HD3 ARG 39 8.359 -0.123 -9.032 294 HE ARG 39 HE ARG 39 5.574 0.368 -8.670 295 HH11 ARG 39 HH11 ARG 39 8.636 1.986 -8.561 296 HH12 ARG 39 HH12 ARG 39 7.926 3.549 -8.737 297 HH21 ARG 39 HH21 ARG 39 4.704 2.388 -8.884 298 HH22 ARG 39 HH22 ARG 39 5.740 3.771 -8.929 299 H VAL 40 H VAL 40 5.195 -4.125 -8.648 300 HA VAL 40 HA VAL 40 4.019 -3.959 -6.000 301 HB VAL 40 HB VAL 40 2.725 -4.088 -8.757 302 HG11 VAL 40 HG11 VAL 40 1.140 -4.856 -7.021 303 HG12 VAL 40 HG12 VAL 40 0.654 -3.292 -7.678 304 HG13 VAL 40 HG13 VAL 40 1.432 -3.380 -6.099 305 HG21 VAL 40 HG21 VAL 40 4.134 -2.093 -8.448 306 HG22 VAL 40 HG22 VAL 40 3.277 -1.704 -6.953 307 HG23 VAL 40 HG23 VAL 40 2.426 -1.650 -8.497 308 H GLN 41 H GLN 41 3.518 -5.679 -4.825 309 HA GLN 41 HA GLN 41 2.785 -8.263 -6.088 310 HB2 GLN 41 HB2 GLN 41 4.425 -7.865 -3.542 311 HB3 GLN 41 HB3 GLN 41 3.954 -9.414 -4.237 312 HG2 GLN 41 HG2 GLN 41 5.356 -8.995 -6.202 313 HG3 GLN 41 HG3 GLN 41 5.781 -7.396 -5.591 314 HE21 GLN 41 HE21 GLN 41 8.001 -7.898 -5.599 315 HE22 GLN 41 HE22 GLN 41 8.700 -8.982 -4.451 316 H LEU 42 H LEU 42 0.579 -8.085 -5.820 317 HA LEU 42 HA LEU 42 -0.612 -7.146 -3.332 318 HB2 LEU 42 HB2 LEU 42 -1.820 -8.081 -5.958 319 HB3 LEU 42 HB3 LEU 42 -2.803 -7.628 -4.571 320 HG LEU 42 HG LEU 42 -0.847 -5.754 -5.978 321 HD11 LEU 42 HD11 LEU 42 -3.878 -5.816 -6.175 322 HD12 LEU 42 HD12 LEU 42 -2.742 -6.261 -7.451 323 HD13 LEU 42 HD13 LEU 42 -2.811 -4.597 -6.879 324 HD21 LEU 42 HD21 LEU 42 -2.887 -5.200 -3.795 325 HD22 LEU 42 HD22 LEU 42 -1.932 -3.981 -4.643 326 HD23 LEU 42 HD23 LEU 42 -1.128 -5.171 -3.625 327 H GLU 43 H GLU 43 -2.047 -8.325 -2.049 328 HA GLU 43 HA GLU 43 -2.177 -11.265 -2.288 329 HB2 GLU 43 HB2 GLU 43 -0.285 -10.485 -0.700 330 HB3 GLU 43 HB3 GLU 43 -1.542 -9.835 0.341 331 HG2 GLU 43 HG2 GLU 43 -1.334 -12.762 -0.417 332 HG3 GLU 43 HG3 GLU 43 -0.577 -12.071 1.012 333 H GLN 44 H GLN 44 -4.343 -11.496 -2.584 334 HA GLN 44 HA GLN 44 -6.246 -9.783 -1.101 335 HB2 GLN 44 HB2 GLN 44 -6.420 -9.894 -3.604 336 HB3 GLN 44 HB3 GLN 44 -6.781 -11.614 -3.482 337 HG2 GLN 44 HG2 GLN 44 -8.838 -11.082 -2.193 338 HG3 GLN 44 HG3 GLN 44 -8.468 -9.363 -2.326 339 HE21 GLN 44 HE21 GLN 44 -9.600 -12.180 -4.040 340 HE22 GLN 44 HE22 GLN 44 -10.153 -11.342 -5.443 341 H ALA 45 H ALA 45 -6.591 -10.689 0.846 342 HA ALA 45 HA ALA 45 -7.134 -13.586 1.114 343 HB1 ALA 45 HB1 ALA 45 -6.675 -13.255 3.507 344 HB2 ALA 45 HB2 ALA 45 -6.490 -11.518 3.254 345 HB3 ALA 45 HB3 ALA 45 -5.334 -12.642 2.536 346 H GLY 46 H GLY 46 -8.728 -13.916 3.146 347 HA2 GLY 46 HA2 GLY 46 -11.329 -13.171 2.327 348 HA3 GLY 46 HA3 GLY 46 -10.912 -13.930 3.854 349 H ALA 47 H ALA 47 -9.994 -12.440 5.556 350 HA ALA 47 HA ALA 47 -11.556 -9.931 5.699 351 HB1 ALA 47 HB1 ALA 47 -11.183 -10.082 8.121 352 HB2 ALA 47 HB2 ALA 47 -10.136 -11.486 7.892 353 HB3 ALA 47 HB3 ALA 47 -11.854 -11.590 7.500 354 H ARG 48 H ARG 48 -8.838 -10.303 4.265 355 HA ARG 48 HA ARG 48 -7.510 -7.914 5.349 356 HB2 ARG 48 HB2 ARG 48 -6.445 -9.821 6.536 357 HB3 ARG 48 HB3 ARG 48 -6.047 -10.573 4.997 358 HG2 ARG 48 HG2 ARG 48 -4.564 -8.615 4.469 359 HG3 ARG 48 HG3 ARG 48 -4.918 -7.956 6.072 360 HD2 ARG 48 HD2 ARG 48 -2.785 -9.070 6.157 361 HD3 ARG 48 HD3 ARG 48 -3.941 -10.045 7.071 362 HE ARG 48 HE ARG 48 -3.495 -10.771 4.268 363 HH11 ARG 48 HH11 ARG 48 -2.804 -11.495 7.583 364 HH12 ARG 48 HH12 ARG 48 -2.187 -13.060 7.208 365 HH21 ARG 48 HH21 ARG 48 -2.711 -12.749 3.829 366 HH22 ARG 48 HH22 ARG 48 -2.132 -13.765 5.105 367 H GLN 49 H GLN 49 -6.284 -6.778 3.858 368 HA GLN 49 HA GLN 49 -5.656 -8.003 1.226 369 HB2 GLN 49 HB2 GLN 49 -6.232 -5.053 1.816 370 HB3 GLN 49 HB3 GLN 49 -5.691 -5.685 0.261 371 HG2 GLN 49 HG2 GLN 49 -8.320 -6.345 1.626 372 HG3 GLN 49 HG3 GLN 49 -8.108 -5.228 0.285 373 HE21 GLN 49 HE21 GLN 49 -9.675 -7.775 0.564 374 HE22 GLN 49 HE22 GLN 49 -9.174 -8.757 -0.760 375 H VAL 50 H VAL 50 -3.508 -7.450 0.399 376 HA VAL 50 HA VAL 50 -1.748 -5.841 2.129 377 HB VAL 50 HB VAL 50 -0.967 -8.641 1.178 378 HG11 VAL 50 HG11 VAL 50 1.242 -8.256 2.255 379 HG12 VAL 50 HG12 VAL 50 0.782 -6.581 2.569 380 HG13 VAL 50 HG13 VAL 50 0.959 -7.149 0.908 381 HG21 VAL 50 HG21 VAL 50 -1.204 -7.577 4.017 382 HG22 VAL 50 HG22 VAL 50 -0.645 -9.192 3.571 383 HG23 VAL 50 HG23 VAL 50 -2.313 -8.713 3.243 384 H LEU 51 H LEU 51 -0.429 -4.520 1.013 385 HA LEU 51 HA LEU 51 0.149 -5.039 -1.854 386 HB2 LEU 51 HB2 LEU 51 -1.321 -3.125 -1.665 387 HB3 LEU 51 HB3 LEU 51 -0.353 -2.410 -0.407 388 HG LEU 51 HG LEU 51 -0.307 -1.349 -2.780 389 HD11 LEU 51 HD11 LEU 51 1.993 -0.615 -2.579 390 HD12 LEU 51 HD12 LEU 51 2.343 -1.931 -1.455 391 HD13 LEU 51 HD13 LEU 51 1.206 -0.660 -1.003 392 HD21 LEU 51 HD21 LEU 51 1.347 -2.230 -4.355 393 HD22 LEU 51 HD22 LEU 51 0.037 -3.373 -4.091 394 HD23 LEU 51 HD23 LEU 51 1.602 -3.638 -3.321 395 H ARG 52 H ARG 52 2.212 -5.680 -2.057 396 HA ARG 52 HA ARG 52 4.278 -4.674 -0.203 397 HB2 ARG 52 HB2 ARG 52 4.258 -7.199 -1.901 398 HB3 ARG 52 HB3 ARG 52 5.632 -6.657 -0.939 399 HG2 ARG 52 HG2 ARG 52 4.262 -6.873 1.124 400 HG3 ARG 52 HG3 ARG 52 2.904 -7.449 0.151 401 HD2 ARG 52 HD2 ARG 52 4.233 -9.403 -0.559 402 HD3 ARG 52 HD3 ARG 52 5.611 -8.820 0.382 403 HE ARG 52 HE ARG 52 3.422 -9.071 2.118 404 HH11 ARG 52 HH11 ARG 52 5.489 -11.159 0.281 405 HH12 ARG 52 HH12 ARG 52 5.284 -12.480 1.375 406 HH21 ARG 52 HH21 ARG 52 3.188 -10.775 3.487 407 HH22 ARG 52 HH22 ARG 52 3.998 -12.271 3.160 408 H VAL 53 H VAL 53 5.248 -2.892 -1.098 409 HA VAL 53 HA VAL 53 6.009 -2.809 -3.921 410 HB VAL 53 HB VAL 53 6.631 -0.804 -1.704 411 HG11 VAL 53 HG11 VAL 53 6.967 -0.515 -4.721 412 HG12 VAL 53 HG12 VAL 53 8.271 -0.645 -3.540 413 HG13 VAL 53 HG13 VAL 53 7.219 0.771 -3.534 414 HG21 VAL 53 HG21 VAL 53 4.212 -0.934 -2.112 415 HG22 VAL 53 HG22 VAL 53 4.469 -0.683 -3.840 416 HG23 VAL 53 HG23 VAL 53 4.857 0.603 -2.693 417 H GLN 54 H GLN 54 7.543 -4.452 -4.151 418 HA GLN 54 HA GLN 54 9.977 -4.665 -2.705 419 HB2 GLN 54 HB2 GLN 54 9.141 -6.450 -4.188 420 HB3 GLN 54 HB3 GLN 54 9.320 -5.399 -5.590 421 HG2 GLN 54 HG2 GLN 54 11.765 -5.383 -5.275 422 HG3 GLN 54 HG3 GLN 54 11.596 -6.417 -3.857 423 HE21 GLN 54 HE21 GLN 54 11.021 -8.608 -4.158 424 HE22 GLN 54 HE22 GLN 54 11.173 -9.378 -5.691 425 H GLY 55 H GLY 55 11.808 -3.416 -2.782 426 HA2 GLY 55 HA2 GLY 55 13.353 -1.843 -3.550 427 HA3 GLY 55 HA3 GLY 55 12.379 -1.582 -4.989 428 H ALA 56 H ALA 56 11.143 -1.420 -1.705 429 HA ALA 56 HA ALA 56 9.995 1.159 -1.930 430 HB1 ALA 56 HB1 ALA 56 9.151 -0.567 -0.391 431 HB2 ALA 56 HB2 ALA 56 9.526 0.923 0.476 432 HB3 ALA 56 HB3 ALA 56 10.630 -0.454 0.569 433 H ARG 57 H ARG 57 11.170 3.059 -2.051 434 HA ARG 57 HA ARG 57 13.198 3.779 -0.131 435 HB2 ARG 57 HB2 ARG 57 14.535 2.288 -1.556 436 HB3 ARG 57 HB3 ARG 57 14.042 3.141 -3.004 437 HG2 ARG 57 HG2 ARG 57 15.572 4.658 -0.890 438 HG3 ARG 57 HG3 ARG 57 16.444 3.508 -1.901 439 HD2 ARG 57 HD2 ARG 57 14.954 6.006 -2.786 440 HD3 ARG 57 HD3 ARG 57 16.682 5.671 -2.933 441 HE ARG 57 HE ARG 57 14.559 4.289 -4.474 442 HH11 ARG 57 HH11 ARG 57 17.812 5.472 -4.346 443 HH12 ARG 57 HH12 ARG 57 18.118 5.058 -5.993 444 HH21 ARG 57 HH21 ARG 57 14.979 3.815 -6.559 445 HH22 ARG 57 HH22 ARG 57 16.537 4.141 -7.225 446 H SER 58 H SER 58 12.944 5.907 0.189 447 HA SER 58 HA SER 58 12.402 8.082 0.033 448 HB2 SER 58 HB2 SER 58 13.452 7.775 -2.801 449 HB3 SER 58 HB3 SER 58 13.197 9.317 -1.985 450 HG SER 58 HG SER 58 15.324 8.782 -1.709 451 H GLY 59 H GLY 59 11.497 7.445 -3.400 452 HA2 GLY 59 HA2 GLY 59 9.104 8.996 -3.234 453 HA3 GLY 59 HA3 GLY 59 9.599 7.999 -4.590 454 H ASP 60 H ASP 60 9.645 5.765 -2.324 455 HA ASP 60 HA ASP 60 7.116 4.568 -2.693 456 HB2 ASP 60 HB2 ASP 60 9.059 3.254 -2.049 457 HB3 ASP 60 HB3 ASP 60 9.271 4.192 -0.574 458 H ALA 61 H ALA 61 8.304 6.864 -0.312 459 HA ALA 61 HA ALA 61 6.243 6.608 1.632 460 HB1 ALA 61 HB1 ALA 61 7.133 8.691 2.565 461 HB2 ALA 61 HB2 ALA 61 8.084 8.970 1.102 462 HB3 ALA 61 HB3 ALA 61 8.447 7.594 2.148 463 H GLY 62 H GLY 62 4.199 6.844 0.944 464 HA2 GLY 62 HA2 GLY 62 3.205 9.422 0.139 465 HA3 GLY 62 HA3 GLY 62 3.209 8.239 -1.168 466 H GLU 63 H GLU 63 0.846 8.952 -0.889 467 HA GLU 63 HA GLU 63 -0.604 7.563 1.249 468 HB2 GLU 63 HB2 GLU 63 -1.578 9.469 -0.920 469 HB3 GLU 63 HB3 GLU 63 -2.602 8.726 0.301 470 HG2 GLU 63 HG2 GLU 63 -2.163 10.969 0.995 471 HG3 GLU 63 HG3 GLU 63 -1.278 9.894 2.071 472 H TYR 64 H TYR 64 -1.035 5.480 0.876 473 HA TYR 64 HA TYR 64 -1.786 4.504 -1.816 474 HB2 TYR 64 HB2 TYR 64 -1.086 2.985 0.734 475 HB3 TYR 64 HB3 TYR 64 -1.554 2.225 -0.782 476 HD1 TYR 64 HD2 TYR 64 1.090 4.491 0.704 477 HD2 TYR 64 HD1 TYR 64 0.085 1.702 -2.392 478 HE1 TYR 64 HE2 TYR 64 3.434 4.410 -0.014 479 HE2 TYR 64 HE1 TYR 64 2.429 1.650 -3.103 480 HH TYR 64 HH TYR 64 4.959 2.892 -1.228 481 H LEU 65 H LEU 65 -3.945 4.622 -2.200 482 HA LEU 65 HA LEU 65 -5.896 4.562 -0.035 483 HB2 LEU 65 HB2 LEU 65 -6.014 6.323 -1.778 484 HB3 LEU 65 HB3 LEU 65 -6.198 5.091 -3.014 485 HG LEU 65 HG LEU 65 -8.388 4.422 -1.993 486 HD11 LEU 65 HD11 LEU 65 -9.476 5.890 -0.353 487 HD12 LEU 65 HD12 LEU 65 -7.990 6.826 -0.187 488 HD13 LEU 65 HD13 LEU 65 -8.031 5.132 0.312 489 HD21 LEU 65 HD21 LEU 65 -8.328 5.974 -3.897 490 HD22 LEU 65 HD22 LEU 65 -8.223 7.346 -2.790 491 HD23 LEU 65 HD23 LEU 65 -9.672 6.338 -2.814 492 H CYS 66 H CYS 66 -6.063 2.403 0.595 493 HA CYS 66 HA CYS 66 -6.749 0.270 -1.249 494 HB2 CYS 66 HB2 CYS 66 -5.613 -0.118 0.963 495 HB3 CYS 66 HB3 CYS 66 -7.094 0.362 1.780 496 HG CYS 66 HG CYS 66 -6.746 -2.360 -0.266 497 H ASP 67 H ASP 67 -8.444 1.150 -2.373 498 HA ASP 67 HA ASP 67 -10.885 2.054 -1.078 499 HB2 ASP 67 HB2 ASP 67 -10.028 3.496 -2.789 500 HB3 ASP 67 HB3 ASP 67 -9.829 2.165 -3.922 501 H ALA 68 H ALA 68 -12.359 0.562 -0.603 502 HA ALA 68 HA ALA 68 -13.143 -1.473 -2.624 503 HB1 ALA 68 HB1 ALA 68 -13.424 -1.593 0.406 504 HB2 ALA 68 HB2 ALA 68 -12.273 -2.515 -0.563 505 HB3 ALA 68 HB3 ALA 68 -14.002 -2.820 -0.730 506 HA PRO 69 HA PRO 69 -17.272 0.540 -2.775 507 HB2 PRO 69 HB2 PRO 69 -18.882 -1.785 -2.684 508 HB3 PRO 69 HB3 PRO 69 -18.209 -1.059 -4.148 509 HG2 PRO 69 HG2 PRO 69 -17.132 -3.340 -2.494 510 HG3 PRO 69 HG3 PRO 69 -17.220 -3.183 -4.263 511 HD2 PRO 69 HD2 PRO 69 -14.902 -2.787 -3.016 512 HD3 PRO 69 HD3 PRO 69 -15.379 -1.702 -4.345 513 H GLN 70 H GLN 70 -16.369 -1.721 -0.259 514 HA GLN 70 HA GLN 70 -18.345 -0.958 1.685 515 HB2 GLN 70 HB2 GLN 70 -17.132 -3.134 1.756 516 HB3 GLN 70 HB3 GLN 70 -15.618 -2.277 2.029 517 HG2 GLN 70 HG2 GLN 70 -16.609 -1.372 4.162 518 HG3 GLN 70 HG3 GLN 70 -17.995 -2.433 3.906 519 HE21 GLN 70 HE21 GLN 70 -17.659 -4.710 4.058 520 HE22 GLN 70 HE22 GLN 70 -16.285 -5.355 4.876 521 H ASP 71 H ASP 71 -14.769 -0.462 1.828 522 HA ASP 71 HA ASP 71 -15.098 2.320 2.755 523 HB2 ASP 71 HB2 ASP 71 -13.683 0.100 4.287 524 HB3 ASP 71 HB3 ASP 71 -13.290 1.792 4.554 525 H SER 72 H SER 72 -13.438 3.692 2.219 526 HA SER 72 HA SER 72 -11.083 2.619 0.759 527 HB2 SER 72 HB2 SER 72 -10.956 4.902 -0.307 528 HB3 SER 72 HB3 SER 72 -12.425 4.017 -0.704 529 HG SER 72 HG SER 72 -13.286 5.856 -0.124 530 H ARG 73 H ARG 73 -9.349 2.534 2.058 531 HA ARG 73 HA ARG 73 -8.963 4.512 4.242 532 HB2 ARG 73 HB2 ARG 73 -8.237 1.590 3.927 533 HB3 ARG 73 HB3 ARG 73 -7.202 2.582 4.940 534 HG2 ARG 73 HG2 ARG 73 -8.953 1.298 6.193 535 HG3 ARG 73 HG3 ARG 73 -8.982 3.034 6.487 536 HD2 ARG 73 HD2 ARG 73 -10.946 3.308 5.107 537 HD3 ARG 73 HD3 ARG 73 -10.831 1.651 4.522 538 HE ARG 73 HE ARG 73 -11.682 0.861 6.550 539 HH11 ARG 73 HH11 ARG 73 -11.427 4.304 6.699 540 HH12 ARG 73 HH12 ARG 73 -12.548 4.425 8.007 541 HH21 ARG 73 HH21 ARG 73 -13.103 1.051 8.208 542 HH22 ARG 73 HH22 ARG 73 -13.484 2.611 8.842 543 H ILE 74 H ILE 74 -7.320 5.937 4.107 544 HA ILE 74 HA ILE 74 -5.327 5.781 1.963 545 HB ILE 74 HB ILE 74 -5.851 7.964 4.039 546 HG12 ILE 74 HG12 ILE 74 -6.646 7.853 1.089 547 HG13 ILE 74 HG13 ILE 74 -7.751 7.636 2.441 548 HG21 ILE 74 HG21 ILE 74 -4.067 8.049 1.575 549 HG22 ILE 74 HG22 ILE 74 -3.522 8.056 3.254 550 HG23 ILE 74 HG23 ILE 74 -4.435 9.424 2.620 551 HD11 ILE 74 HD11 ILE 74 -7.963 9.849 1.494 552 HD12 ILE 74 HD12 ILE 74 -6.249 10.165 1.751 553 HD13 ILE 74 HD13 ILE 74 -7.327 9.962 3.134 554 H PHE 75 H PHE 75 -3.240 5.156 2.292 555 HA PHE 75 HA PHE 75 -2.361 4.439 5.022 556 HB2 PHE 75 HB2 PHE 75 -1.516 3.426 2.281 557 HB3 PHE 75 HB3 PHE 75 -0.594 3.065 3.735 558 HD1 PHE 75 HD2 PHE 75 -4.256 3.043 2.834 559 HD2 PHE 75 HD1 PHE 75 -0.953 0.895 4.479 560 HE1 PHE 75 HE2 PHE 75 -5.728 1.147 3.309 561 HE2 PHE 75 HE1 PHE 75 -2.437 -1.000 4.946 562 HZ PHE 75 HZ PHE 75 -4.816 -0.867 4.360 563 H LEU 76 H LEU 76 -1.159 5.979 5.941 564 HA LEU 76 HA LEU 76 0.481 7.808 4.373 565 HB2 LEU 76 HB2 LEU 76 0.108 7.601 7.385 566 HB3 LEU 76 HB3 LEU 76 0.920 8.912 6.535 567 HG LEU 76 HG LEU 76 -2.048 8.230 6.383 568 HD11 LEU 76 HD11 LEU 76 -2.387 10.397 7.482 569 HD12 LEU 76 HD12 LEU 76 -0.640 10.620 7.602 570 HD13 LEU 76 HD13 LEU 76 -1.426 9.305 8.479 571 HD21 LEU 76 HD21 LEU 76 -0.535 10.436 4.931 572 HD22 LEU 76 HD22 LEU 76 -2.291 10.257 4.981 573 HD23 LEU 76 HD23 LEU 76 -1.307 9.030 4.193 574 H VAL 77 H VAL 77 2.104 6.572 3.524 575 HA VAL 77 HA VAL 77 3.881 5.000 5.252 576 HB VAL 77 HB VAL 77 3.781 5.330 2.225 577 HG11 VAL 77 HG11 VAL 77 5.595 3.513 3.864 578 HG12 VAL 77 HG12 VAL 77 6.112 4.898 2.898 579 HG13 VAL 77 HG13 VAL 77 5.434 3.475 2.107 580 HG21 VAL 77 HG21 VAL 77 2.948 2.995 2.236 581 HG22 VAL 77 HG22 VAL 77 1.880 4.060 3.155 582 HG23 VAL 77 HG23 VAL 77 2.997 2.984 4.001 583 H SER 78 H SER 78 5.962 5.567 5.728 584 HA SER 78 HA SER 78 7.128 8.029 4.567 585 HB2 SER 78 HB2 SER 78 6.926 7.431 7.551 586 HB3 SER 78 HB3 SER 78 7.794 8.790 6.843 587 HG SER 78 HG SER 78 5.350 8.859 5.849 588 H VAL 79 H VAL 79 8.968 7.292 3.601 589 HA VAL 79 HA VAL 79 10.585 5.140 4.721 590 HB VAL 79 HB VAL 79 11.200 6.955 2.334 591 HG11 VAL 79 HG11 VAL 79 12.753 5.158 1.628 592 HG12 VAL 79 HG12 VAL 79 12.389 4.259 3.104 593 HG13 VAL 79 HG13 VAL 79 13.201 5.824 3.200 594 HG21 VAL 79 HG21 VAL 79 9.079 5.773 1.927 595 HG22 VAL 79 HG22 VAL 79 9.851 4.227 2.288 596 HG23 VAL 79 HG23 VAL 79 10.352 5.154 0.873 597 H GLU 80 H GLU 80 11.688 5.730 6.517 598 HA GLU 80 HA GLU 80 13.656 7.799 6.595 599 HB2 GLU 80 HB2 GLU 80 12.576 9.210 8.384 600 HB3 GLU 80 HB3 GLU 80 11.809 9.349 6.807 601 HG2 GLU 80 HG2 GLU 80 9.999 7.839 7.549 602 HG3 GLU 80 HG3 GLU 80 10.771 7.685 9.129 603 H GLU 81 H GLU 81 13.435 5.028 7.114 604 HA GLU 81 HA GLU 81 14.462 4.902 9.890 605 HB2 GLU 81 HB2 GLU 81 12.151 3.905 9.749 606 HB3 GLU 81 HB3 GLU 81 12.727 2.784 8.523 607 HG2 GLU 81 HG2 GLU 81 12.606 1.643 10.645 608 HG3 GLU 81 HG3 GLU 81 14.300 1.806 10.180 609 HA PRO 82 HA PRO 82 17.780 3.508 6.912 610 HB2 PRO 82 HB2 PRO 82 19.485 4.017 9.319 611 HB3 PRO 82 HB3 PRO 82 19.709 4.568 7.653 612 HG2 PRO 82 HG2 PRO 82 18.901 6.286 9.533 613 HG3 PRO 82 HG3 PRO 82 18.188 6.347 7.905 614 HD2 PRO 82 HD2 PRO 82 17.046 5.118 10.426 615 HD3 PRO 82 HD3 PRO 82 16.245 6.147 9.214 Start of MODEL 12 1 H MET 1 H1 MET 1 -5.397 7.657 10.848 2 HA MET 1 HA MET 1 -6.012 6.906 8.655 3 HB2 MET 1 HB2 MET 1 -3.369 8.192 7.845 4 HB3 MET 1 HB3 MET 1 -4.286 7.099 6.812 5 HG2 MET 1 HG2 MET 1 -4.688 9.383 6.143 6 HG3 MET 1 HG3 MET 1 -6.171 8.701 6.813 7 HE1 MET 1 HE1 MET 1 -7.191 11.191 7.009 8 HE2 MET 1 HE2 MET 1 -5.692 11.846 6.342 9 HE3 MET 1 HE3 MET 1 -6.357 12.508 7.835 10 H THR 2 H THR 2 -5.066 4.929 7.660 11 HA THR 2 HA THR 2 -3.786 3.256 9.632 12 HB THR 2 HB THR 2 -4.432 2.533 6.730 13 HG1 THR 2 HG1 THR 2 -6.142 2.384 9.003 14 HG21 THR 2 HG21 THR 2 -3.193 0.766 7.939 15 HG22 THR 2 HG22 THR 2 -4.873 0.269 7.661 16 HG23 THR 2 HG23 THR 2 -4.365 0.833 9.260 17 H ARG 3 H ARG 3 -1.762 4.239 9.894 18 HA ARG 3 HA ARG 3 -0.095 4.946 7.593 19 HB2 ARG 3 HB2 ARG 3 -0.734 6.582 9.383 20 HB3 ARG 3 HB3 ARG 3 0.143 5.623 10.562 21 HG2 ARG 3 HG2 ARG 3 1.570 6.801 8.168 22 HG3 ARG 3 HG3 ARG 3 1.222 7.791 9.584 23 HD2 ARG 3 HD2 ARG 3 2.899 5.255 9.529 24 HD3 ARG 3 HD3 ARG 3 3.497 6.910 9.686 25 HE ARG 3 HE ARG 3 1.659 5.802 11.704 26 HH11 ARG 3 HH11 ARG 3 4.790 7.084 10.995 27 HH12 ARG 3 HH12 ARG 3 5.235 7.166 12.662 28 HH21 ARG 3 HH21 ARG 3 2.235 5.943 13.804 29 HH22 ARG 3 HH22 ARG 3 3.802 6.540 14.232 30 H VAL 4 H VAL 4 1.767 3.896 7.040 31 HA VAL 4 HA VAL 4 3.047 1.990 8.937 32 HB VAL 4 HB VAL 4 2.885 1.718 5.895 33 HG11 VAL 4 HG11 VAL 4 4.035 -0.475 6.201 34 HG12 VAL 4 HG12 VAL 4 4.241 -0.120 7.917 35 HG13 VAL 4 HG13 VAL 4 5.055 0.876 6.709 36 HG21 VAL 4 HG21 VAL 4 0.745 1.104 6.929 37 HG22 VAL 4 HG22 VAL 4 1.571 0.033 8.064 38 HG23 VAL 4 HG23 VAL 4 1.566 -0.350 6.339 39 H ARG 5 H ARG 5 5.065 2.547 9.481 40 HA ARG 5 HA ARG 5 6.739 4.326 7.843 41 HB2 ARG 5 HB2 ARG 5 6.617 4.691 10.302 42 HB3 ARG 5 HB3 ARG 5 7.217 3.058 10.575 43 HG2 ARG 5 HG2 ARG 5 9.348 3.758 9.355 44 HG3 ARG 5 HG3 ARG 5 8.735 5.415 9.399 45 HD2 ARG 5 HD2 ARG 5 10.305 4.982 11.252 46 HD3 ARG 5 HD3 ARG 5 8.685 5.339 11.861 47 HE ARG 5 HE ARG 5 9.392 2.521 11.520 48 HH11 ARG 5 HH11 ARG 5 9.009 5.119 13.773 49 HH12 ARG 5 HH12 ARG 5 8.915 4.051 15.130 50 HH21 ARG 5 HH21 ARG 5 9.243 1.198 13.250 51 HH22 ARG 5 HH22 ARG 5 9.057 1.856 14.837 52 H SER 6 H SER 6 8.701 3.633 6.881 53 HA SER 6 HA SER 6 9.429 0.762 6.943 54 HB2 SER 6 HB2 SER 6 7.967 1.125 4.954 55 HB3 SER 6 HB3 SER 6 9.043 2.403 4.394 56 HG SER 6 HG SER 6 10.591 0.913 3.922 57 H THR 7 H THR 7 11.610 0.337 6.204 58 HA THR 7 HA THR 7 13.497 2.587 6.404 59 HB THR 7 HB THR 7 15.203 0.528 6.192 60 HG1 THR 7 HG1 THR 7 14.103 -1.317 7.331 61 HG21 THR 7 HG21 THR 7 15.195 0.261 8.631 62 HG22 THR 7 HG22 THR 7 13.609 1.030 8.726 63 HG23 THR 7 HG23 THR 7 15.008 1.957 8.171 64 HA PRO 8 HA PRO 8 14.344 2.571 1.960 65 HB2 PRO 8 HB2 PRO 8 16.742 3.833 1.914 66 HB3 PRO 8 HB3 PRO 8 15.248 4.665 2.362 67 HG2 PRO 8 HG2 PRO 8 17.322 3.473 4.177 68 HG3 PRO 8 HG3 PRO 8 16.605 5.099 4.229 69 HD2 PRO 8 HD2 PRO 8 15.705 3.097 5.814 70 HD3 PRO 8 HD3 PRO 8 14.603 4.327 5.156 71 H GLY 9 H GLY 9 14.959 0.879 0.695 72 HA2 GLY 9 HA2 GLY 9 16.468 -0.583 -0.340 73 HA3 GLY 9 HA3 GLY 9 17.575 -0.407 1.010 74 H GLY 10 H GLY 10 14.300 -1.688 0.324 75 HA2 GLY 10 HA2 GLY 10 14.925 -4.349 1.134 76 HA3 GLY 10 HA3 GLY 10 14.050 -3.515 2.407 77 H ASP 11 H ASP 11 11.898 -3.752 2.362 78 HA ASP 11 HA ASP 11 10.394 -4.016 -0.155 79 HB2 ASP 11 HB2 ASP 11 10.913 -6.342 0.440 80 HB3 ASP 11 HB3 ASP 11 10.367 -6.089 2.094 81 H LEU 12 H LEU 12 8.495 -2.889 -0.033 82 HA LEU 12 HA LEU 12 7.636 -1.767 2.562 83 HB2 LEU 12 HB2 LEU 12 7.970 -0.168 0.717 84 HB3 LEU 12 HB3 LEU 12 6.844 -1.059 -0.295 85 HG LEU 12 HG LEU 12 4.993 -0.491 1.301 86 HD11 LEU 12 HD11 LEU 12 5.318 1.223 3.017 87 HD12 LEU 12 HD12 LEU 12 7.053 1.244 2.688 88 HD13 LEU 12 HD13 LEU 12 6.295 -0.209 3.345 89 HD21 LEU 12 HD21 LEU 12 5.358 0.879 -0.711 90 HD22 LEU 12 HD22 LEU 12 6.434 1.941 0.202 91 HD23 LEU 12 HD23 LEU 12 4.723 1.839 0.629 92 H GLU 13 H GLU 13 6.294 -3.220 3.607 93 HA GLU 13 HA GLU 13 4.240 -4.671 2.040 94 HB2 GLU 13 HB2 GLU 13 5.826 -6.147 3.252 95 HB3 GLU 13 HB3 GLU 13 5.410 -5.365 4.777 96 HG2 GLU 13 HG2 GLU 13 3.095 -6.183 4.583 97 HG3 GLU 13 HG3 GLU 13 3.475 -6.914 3.028 98 H LEU 14 H LEU 14 2.322 -3.687 2.142 99 HA LEU 14 HA LEU 14 1.412 -2.304 4.589 100 HB2 LEU 14 HB2 LEU 14 0.298 -2.051 1.764 101 HB3 LEU 14 HB3 LEU 14 -0.136 -1.074 3.162 102 HG LEU 14 HG LEU 14 2.485 -1.019 1.616 103 HD11 LEU 14 HD11 LEU 14 1.867 1.291 1.111 104 HD12 LEU 14 HD12 LEU 14 0.362 1.107 2.016 105 HD13 LEU 14 HD13 LEU 14 0.632 0.164 0.547 106 HD21 LEU 14 HD21 LEU 14 3.010 -0.769 3.991 107 HD22 LEU 14 HD22 LEU 14 1.804 0.510 4.148 108 HD23 LEU 14 HD23 LEU 14 3.233 0.759 3.141 109 H VAL 15 H VAL 15 0.394 -3.862 5.754 110 HA VAL 15 HA VAL 15 -1.545 -5.708 4.547 111 HB VAL 15 HB VAL 15 -0.543 -5.391 7.421 112 HG11 VAL 15 HG11 VAL 15 -2.473 -7.479 6.328 113 HG12 VAL 15 HG12 VAL 15 -2.863 -6.212 7.492 114 HG13 VAL 15 HG13 VAL 15 -1.752 -7.506 7.939 115 HG21 VAL 15 HG21 VAL 15 0.611 -7.550 7.024 116 HG22 VAL 15 HG22 VAL 15 1.144 -6.325 5.869 117 HG23 VAL 15 HG23 VAL 15 0.003 -7.575 5.365 118 H VAL 16 H VAL 16 -3.742 -5.395 4.668 119 HA VAL 16 HA VAL 16 -4.741 -2.907 5.900 120 HB VAL 16 HB VAL 16 -6.223 -4.769 3.985 121 HG11 VAL 16 HG11 VAL 16 -7.749 -2.871 3.662 122 HG12 VAL 16 HG12 VAL 16 -6.842 -1.926 4.847 123 HG13 VAL 16 HG13 VAL 16 -7.718 -3.374 5.355 124 HG21 VAL 16 HG21 VAL 16 -4.794 -2.177 3.341 125 HG22 VAL 16 HG22 VAL 16 -5.752 -3.146 2.224 126 HG23 VAL 16 HG23 VAL 16 -4.251 -3.790 2.882 127 H HIS 17 H HIS 17 -6.145 -2.877 7.566 128 HA HIS 17 HA HIS 17 -7.568 -5.345 8.376 129 HB2 HIS 17 HB2 HIS 17 -6.862 -2.870 10.000 130 HB3 HIS 17 HB3 HIS 17 -7.913 -4.157 10.587 131 HD1 HIS 17 HD1 HIS 17 -6.559 -6.664 10.151 132 HD2 HIS 17 HD2 HIS 17 -4.362 -3.248 11.033 133 HE1 HIS 17 HE1 HIS 17 -4.356 -7.491 11.017 134 HE2 HIS 17 HE2 HIS 17 -2.990 -5.417 11.377 135 H LEU 18 H LEU 18 -7.976 -1.915 7.527 136 HA LEU 18 HA LEU 18 -9.735 -0.683 6.768 137 HB2 LEU 18 HB2 LEU 18 -10.428 -3.451 6.016 138 HB3 LEU 18 HB3 LEU 18 -11.833 -2.408 6.066 139 HG LEU 18 HG LEU 18 -9.367 -1.949 4.349 140 HD11 LEU 18 HD11 LEU 18 -12.097 -2.955 3.515 141 HD12 LEU 18 HD12 LEU 18 -10.612 -3.909 3.594 142 HD13 LEU 18 HD13 LEU 18 -10.743 -2.585 2.440 143 HD21 LEU 18 HD21 LEU 18 -10.676 -0.217 3.227 144 HD22 LEU 18 HD22 LEU 18 -10.418 0.153 4.929 145 HD23 LEU 18 HD23 LEU 18 -11.990 -0.448 4.388 146 H SER 19 H SER 19 -12.198 -0.199 7.086 147 HA SER 19 HA SER 19 -13.153 -1.008 9.777 148 HB2 SER 19 HB2 SER 19 -13.211 1.406 9.360 149 HB3 SER 19 HB3 SER 19 -14.160 1.167 7.893 150 HG SER 19 HG SER 19 -15.038 1.466 10.370 151 H GLY 20 H GLY 20 -13.707 -1.451 6.361 152 HA2 GLY 20 HA2 GLY 20 -16.100 -3.137 6.903 153 HA3 GLY 20 HA3 GLY 20 -15.902 -2.173 5.454 154 HA PRO 21 HA PRO 21 -13.054 -6.127 5.109 155 HB2 PRO 21 HB2 PRO 21 -13.967 -8.377 6.309 156 HB3 PRO 21 HB3 PRO 21 -13.048 -7.155 7.201 157 HG2 PRO 21 HG2 PRO 21 -16.033 -7.597 7.124 158 HG3 PRO 21 HG3 PRO 21 -14.992 -7.270 8.525 159 HD2 PRO 21 HD2 PRO 21 -16.491 -5.326 7.242 160 HD3 PRO 21 HD3 PRO 21 -15.002 -4.982 8.151 161 H GLY 22 H GLY 22 -13.651 -6.081 2.907 162 HA2 GLY 22 HA2 GLY 22 -14.970 -8.360 1.873 163 HA3 GLY 22 HA3 GLY 22 -16.089 -7.006 1.811 164 H GLY 23 H GLY 23 -14.251 -8.706 -0.151 165 HA2 GLY 23 HA2 GLY 23 -12.871 -6.650 -1.677 166 HA3 GLY 23 HA3 GLY 23 -13.038 -8.344 -2.102 167 HA PRO 24 HA PRO 24 -12.270 -7.240 -4.185 168 HB2 PRO 24 HB2 PRO 24 -12.687 -5.434 -6.443 169 HB3 PRO 24 HB3 PRO 24 -12.431 -7.178 -6.470 170 HG2 PRO 24 HG2 PRO 24 -14.815 -5.969 -7.169 171 HG3 PRO 24 HG3 PRO 24 -14.686 -7.641 -6.583 172 HD2 PRO 24 HD2 PRO 24 -15.446 -5.147 -5.051 173 HD3 PRO 24 HD3 PRO 24 -16.181 -6.770 -5.003 174 H VAL 25 H VAL 25 -10.938 -6.107 -2.862 175 HA VAL 25 HA VAL 25 -11.162 -3.198 -2.552 176 HB VAL 25 HB VAL 25 -9.143 -5.023 -1.187 177 HG11 VAL 25 HG11 VAL 25 -10.192 -2.266 -0.431 178 HG12 VAL 25 HG12 VAL 25 -8.598 -2.627 -1.098 179 HG13 VAL 25 HG13 VAL 25 -9.036 -3.219 0.505 180 HG21 VAL 25 HG21 VAL 25 -11.911 -4.303 -0.152 181 HG22 VAL 25 HG22 VAL 25 -10.656 -5.138 0.767 182 HG23 VAL 25 HG23 VAL 25 -11.369 -5.907 -0.653 183 H ARG 26 H ARG 26 -9.992 -1.899 -3.847 184 HA ARG 26 HA ARG 26 -7.702 -2.936 -5.385 185 HB2 ARG 26 HB2 ARG 26 -9.375 -0.419 -5.760 186 HB3 ARG 26 HB3 ARG 26 -8.063 -0.929 -6.826 187 HG2 ARG 26 HG2 ARG 26 -9.392 -3.027 -7.312 188 HG3 ARG 26 HG3 ARG 26 -10.718 -2.348 -6.362 189 HD2 ARG 26 HD2 ARG 26 -11.130 -1.930 -8.719 190 HD3 ARG 26 HD3 ARG 26 -10.782 -0.393 -7.914 191 HE ARG 26 HE ARG 26 -8.521 -1.730 -9.178 192 HH11 ARG 26 HH11 ARG 26 -10.921 0.741 -9.505 193 HH12 ARG 26 HH12 ARG 26 -10.102 1.493 -10.823 194 HH21 ARG 26 HH21 ARG 26 -7.502 -0.753 -10.831 195 HH22 ARG 26 HH22 ARG 26 -8.181 0.660 -11.563 196 H TRP 27 H TRP 27 -5.733 -1.938 -5.432 197 HA TRP 27 HA TRP 27 -5.055 0.008 -3.325 198 HB2 TRP 27 HB2 TRP 27 -3.419 -1.991 -4.923 199 HB3 TRP 27 HB3 TRP 27 -2.631 -0.654 -4.090 200 HD1 TRP 27 HD1 TRP 27 -4.173 -4.061 -3.421 201 HE1 TRP 27 HE1 TRP 27 -3.822 -4.631 -0.937 202 HE3 TRP 27 HE3 TRP 27 -2.642 0.528 -1.730 203 HZ2 TRP 27 HZ2 TRP 27 -3.047 -3.318 1.418 204 HZ3 TRP 27 HZ3 TRP 27 -2.143 0.789 0.678 205 HH2 TRP 27 HH2 TRP 27 -2.351 -1.102 2.219 206 H TYR 28 H TYR 28 -4.447 2.022 -3.788 207 HA TYR 28 HA TYR 28 -3.680 2.821 -6.549 208 HB2 TYR 28 HB2 TYR 28 -5.359 4.493 -4.617 209 HB3 TYR 28 HB3 TYR 28 -4.884 4.959 -6.243 210 HD1 TYR 28 HD2 TYR 28 -6.989 2.582 -4.304 211 HD2 TYR 28 HD1 TYR 28 -6.291 4.335 -8.132 212 HE1 TYR 28 HE2 TYR 28 -9.084 1.633 -5.122 213 HE2 TYR 28 HE1 TYR 28 -8.417 3.392 -8.943 214 HH TYR 28 HH TYR 28 -10.681 1.874 -6.746 215 H LYS 29 H LYS 29 -1.820 4.129 -6.608 216 HA LYS 29 HA LYS 29 -0.758 5.191 -4.042 217 HB2 LYS 29 HB2 LYS 29 0.778 3.539 -4.826 218 HB3 LYS 29 HB3 LYS 29 0.706 4.117 -6.472 219 HG2 LYS 29 HG2 LYS 29 2.843 4.718 -5.470 220 HG3 LYS 29 HG3 LYS 29 1.925 6.173 -5.819 221 HD2 LYS 29 HD2 LYS 29 1.532 6.648 -3.555 222 HD3 LYS 29 HD3 LYS 29 1.739 4.970 -3.054 223 HE2 LYS 29 HE2 LYS 29 3.605 6.348 -2.268 224 HE3 LYS 29 HE3 LYS 29 4.171 5.148 -3.412 225 HZ1 LYS 29 HZ1 LYS 29 5.208 7.210 -3.874 226 HZ2 LYS 29 HZ2 LYS 29 3.720 8.027 -3.925 227 HZ3 LYS 29 HZ3 LYS 29 4.102 6.910 -5.117 228 H ASP 30 H ASP 30 -0.611 7.318 -3.864 229 HA ASP 30 HA ASP 30 -0.776 9.530 -4.206 230 HB2 ASP 30 HB2 ASP 30 0.831 8.780 -6.666 231 HB3 ASP 30 HB3 ASP 30 0.583 10.442 -6.156 232 H GLY 31 H GLY 31 -2.919 7.772 -5.459 233 HA2 GLY 31 HA2 GLY 31 -5.056 8.739 -5.970 234 HA3 GLY 31 HA3 GLY 31 -4.265 9.936 -6.969 235 H GLU 32 H GLU 32 -2.878 6.891 -7.642 236 HA GLU 32 HA GLU 32 -4.940 6.135 -9.613 237 HB2 GLU 32 HB2 GLU 32 -3.237 7.683 -10.715 238 HB3 GLU 32 HB3 GLU 32 -2.028 6.430 -10.470 239 HG2 GLU 32 HG2 GLU 32 -3.362 4.869 -11.856 240 HG3 GLU 32 HG3 GLU 32 -4.585 6.118 -12.081 241 H ARG 33 H ARG 33 -4.977 3.992 -10.193 242 HA ARG 33 HA ARG 33 -4.412 2.186 -8.157 243 HB2 ARG 33 HB2 ARG 33 -5.412 0.484 -9.524 244 HB3 ARG 33 HB3 ARG 33 -6.267 1.979 -9.840 245 HG2 ARG 33 HG2 ARG 33 -4.083 0.917 -11.661 246 HG3 ARG 33 HG3 ARG 33 -5.790 0.515 -11.869 247 HD2 ARG 33 HD2 ARG 33 -6.346 2.818 -12.317 248 HD3 ARG 33 HD3 ARG 33 -4.730 3.357 -11.856 249 HE ARG 33 HE ARG 33 -4.306 1.640 -13.951 250 HH11 ARG 33 HH11 ARG 33 -6.204 4.535 -13.588 251 HH12 ARG 33 HH12 ARG 33 -5.995 4.988 -15.240 252 HH21 ARG 33 HH21 ARG 33 -4.044 2.285 -16.034 253 HH22 ARG 33 HH22 ARG 33 -4.791 3.739 -16.599 254 H LEU 34 H LEU 34 -3.105 0.341 -7.971 255 HA LEU 34 HA LEU 34 -0.631 0.229 -9.589 256 HB2 LEU 34 HB2 LEU 34 -1.263 -1.048 -6.894 257 HB3 LEU 34 HB3 LEU 34 0.242 -1.264 -7.774 258 HG LEU 34 HG LEU 34 -0.754 1.202 -6.317 259 HD11 LEU 34 HD11 LEU 34 1.455 1.093 -5.244 260 HD12 LEU 34 HD12 LEU 34 1.828 -0.369 -6.170 261 HD13 LEU 34 HD13 LEU 34 0.504 -0.371 -5.001 262 HD21 LEU 34 HD21 LEU 34 1.153 2.482 -7.274 263 HD22 LEU 34 HD22 LEU 34 -0.027 2.041 -8.500 264 HD23 LEU 34 HD23 LEU 34 1.489 1.146 -8.379 265 H ALA 35 H ALA 35 0.159 -1.817 -10.287 266 HA ALA 35 HA ALA 35 -1.862 -3.952 -10.724 267 HB1 ALA 35 HB1 ALA 35 -1.146 -2.830 -12.809 268 HB2 ALA 35 HB2 ALA 35 -0.607 -4.509 -12.780 269 HB3 ALA 35 HB3 ALA 35 0.542 -3.207 -12.449 270 H SER 36 H SER 36 -1.266 -6.070 -10.250 271 HA SER 36 HA SER 36 1.026 -6.536 -8.521 272 HB2 SER 36 HB2 SER 36 0.097 -8.888 -8.396 273 HB3 SER 36 HB3 SER 36 -1.070 -7.644 -7.955 274 HG SER 36 HG SER 36 -0.903 -9.083 -10.401 275 H GLN 37 H GLN 37 2.669 -5.952 -10.151 276 HA GLN 37 HA GLN 37 3.310 -8.152 -12.045 277 HB2 GLN 37 HB2 GLN 37 3.056 -5.220 -12.788 278 HB3 GLN 37 HB3 GLN 37 3.964 -6.353 -13.774 279 HG2 GLN 37 HG2 GLN 37 1.008 -6.569 -13.139 280 HG3 GLN 37 HG3 GLN 37 1.681 -5.942 -14.644 281 HE21 GLN 37 HE21 GLN 37 2.839 -7.445 -16.016 282 HE22 GLN 37 HE22 GLN 37 2.485 -9.133 -15.954 283 H GLY 38 H GLY 38 4.979 -4.986 -11.910 284 HA2 GLY 38 HA2 GLY 38 7.528 -6.403 -11.839 285 HA3 GLY 38 HA3 GLY 38 7.273 -4.696 -12.135 286 H ARG 39 H ARG 39 7.642 -7.169 -9.680 287 HA ARG 39 HA ARG 39 8.313 -7.214 -7.519 288 HB2 ARG 39 HB2 ARG 39 9.347 -4.499 -8.294 289 HB3 ARG 39 HB3 ARG 39 9.307 -4.882 -6.581 290 HG2 ARG 39 HG2 ARG 39 11.498 -5.358 -7.554 291 HG3 ARG 39 HG3 ARG 39 10.743 -6.822 -6.922 292 HD2 ARG 39 HD2 ARG 39 10.046 -7.394 -9.263 293 HD3 ARG 39 HD3 ARG 39 10.945 -5.984 -9.830 294 HE ARG 39 HE ARG 39 12.508 -7.839 -8.261 295 HH11 ARG 39 HH11 ARG 39 11.473 -7.044 -11.472 296 HH12 ARG 39 HH12 ARG 39 12.731 -7.966 -12.210 297 HH21 ARG 39 HH21 ARG 39 14.096 -9.001 -9.228 298 HH22 ARG 39 HH22 ARG 39 14.208 -9.051 -10.951 299 H VAL 40 H VAL 40 5.803 -5.202 -8.473 300 HA VAL 40 HA VAL 40 4.849 -4.512 -5.810 301 HB VAL 40 HB VAL 40 3.671 -3.985 -8.582 302 HG11 VAL 40 HG11 VAL 40 1.891 -4.007 -6.890 303 HG12 VAL 40 HG12 VAL 40 2.166 -2.360 -7.463 304 HG13 VAL 40 HG13 VAL 40 2.797 -2.866 -5.894 305 HG21 VAL 40 HG21 VAL 40 5.190 -2.092 -6.738 306 HG22 VAL 40 HG22 VAL 40 4.481 -1.665 -8.300 307 HG23 VAL 40 HG23 VAL 40 5.825 -2.810 -8.223 308 H GLN 41 H GLN 41 3.726 -6.009 -4.727 309 HA GLN 41 HA GLN 41 2.358 -8.243 -6.112 310 HB2 GLN 41 HB2 GLN 41 3.605 -8.160 -3.326 311 HB3 GLN 41 HB3 GLN 41 2.840 -9.566 -4.068 312 HG2 GLN 41 HG2 GLN 41 4.623 -9.663 -5.756 313 HG3 GLN 41 HG3 GLN 41 5.366 -8.212 -5.082 314 HE21 GLN 41 HE21 GLN 41 6.452 -8.366 -3.066 315 HE22 GLN 41 HE22 GLN 41 6.929 -9.892 -2.412 316 H LEU 42 H LEU 42 0.170 -8.503 -5.692 317 HA LEU 42 HA LEU 42 -1.049 -6.979 -3.446 318 HB2 LEU 42 HB2 LEU 42 -2.326 -7.634 -6.138 319 HB3 LEU 42 HB3 LEU 42 -3.103 -6.773 -4.817 320 HG LEU 42 HG LEU 42 -0.754 -5.776 -6.488 321 HD11 LEU 42 HD11 LEU 42 -2.297 -4.046 -7.284 322 HD12 LEU 42 HD12 LEU 42 -3.610 -4.762 -6.345 323 HD13 LEU 42 HD13 LEU 42 -2.885 -5.662 -7.680 324 HD21 LEU 42 HD21 LEU 42 -0.940 -3.662 -5.229 325 HD22 LEU 42 HD22 LEU 42 -0.478 -5.009 -4.196 326 HD23 LEU 42 HD23 LEU 42 -2.133 -4.405 -4.162 327 H GLU 43 H GLU 43 -0.934 -8.732 -1.986 328 HA GLU 43 HA GLU 43 -2.188 -11.287 -2.545 329 HB2 GLU 43 HB2 GLU 43 -1.002 -10.089 -0.016 330 HB3 GLU 43 HB3 GLU 43 -1.783 -11.660 -0.027 331 HG2 GLU 43 HG2 GLU 43 0.636 -11.903 -0.131 332 HG3 GLU 43 HG3 GLU 43 -0.114 -12.513 -1.607 333 H GLN 44 H GLN 44 -4.356 -11.072 -2.921 334 HA GLN 44 HA GLN 44 -6.031 -9.466 -1.154 335 HB2 GLN 44 HB2 GLN 44 -7.902 -10.343 -2.775 336 HB3 GLN 44 HB3 GLN 44 -6.775 -9.116 -3.309 337 HG2 GLN 44 HG2 GLN 44 -7.063 -10.606 -5.131 338 HG3 GLN 44 HG3 GLN 44 -5.463 -10.936 -4.475 339 HE21 GLN 44 HE21 GLN 44 -5.050 -12.969 -3.602 340 HE22 GLN 44 HE22 GLN 44 -6.150 -14.289 -3.736 341 H ALA 45 H ALA 45 -7.073 -10.181 0.565 342 HA ALA 45 HA ALA 45 -7.986 -12.993 0.752 343 HB1 ALA 45 HB1 ALA 45 -5.873 -12.776 2.018 344 HB2 ALA 45 HB2 ALA 45 -7.232 -13.114 3.089 345 HB3 ALA 45 HB3 ALA 45 -6.578 -11.477 2.984 346 H GLY 46 H GLY 46 -9.140 -10.065 0.410 347 HA2 GLY 46 HA2 GLY 46 -11.414 -9.457 0.694 348 HA3 GLY 46 HA3 GLY 46 -11.525 -10.514 2.094 349 H ALA 47 H ALA 47 -10.436 -9.809 4.088 350 HA ALA 47 HA ALA 47 -10.573 -6.935 4.568 351 HB1 ALA 47 HB1 ALA 47 -10.111 -7.516 6.919 352 HB2 ALA 47 HB2 ALA 47 -9.802 -9.190 6.452 353 HB3 ALA 47 HB3 ALA 47 -11.419 -8.510 6.270 354 H ARG 48 H ARG 48 -8.060 -9.478 4.878 355 HA ARG 48 HA ARG 48 -5.913 -7.541 5.166 356 HB2 ARG 48 HB2 ARG 48 -5.855 -9.592 6.502 357 HB3 ARG 48 HB3 ARG 48 -5.843 -10.582 5.047 358 HG2 ARG 48 HG2 ARG 48 -3.612 -9.897 4.482 359 HG3 ARG 48 HG3 ARG 48 -3.633 -8.606 5.687 360 HD2 ARG 48 HD2 ARG 48 -2.270 -10.519 6.433 361 HD3 ARG 48 HD3 ARG 48 -3.651 -10.255 7.501 362 HE ARG 48 HE ARG 48 -4.417 -12.148 5.602 363 HH11 ARG 48 HH11 ARG 48 -2.101 -11.958 8.172 364 HH12 ARG 48 HH12 ARG 48 -2.191 -13.649 8.507 365 HH21 ARG 48 HH21 ARG 48 -4.510 -14.287 6.056 366 HH22 ARG 48 HH22 ARG 48 -3.542 -14.956 7.321 367 H GLN 49 H GLN 49 -5.975 -6.441 3.187 368 HA GLN 49 HA GLN 49 -4.982 -7.842 0.787 369 HB2 GLN 49 HB2 GLN 49 -5.544 -4.863 1.136 370 HB3 GLN 49 HB3 GLN 49 -5.334 -5.734 -0.381 371 HG2 GLN 49 HG2 GLN 49 -7.630 -6.149 1.559 372 HG3 GLN 49 HG3 GLN 49 -7.693 -5.117 0.138 373 HE21 GLN 49 HE21 GLN 49 -7.691 -6.096 -1.940 374 HE22 GLN 49 HE22 GLN 49 -8.123 -7.752 -2.147 375 H VAL 50 H VAL 50 -2.785 -7.877 0.350 376 HA VAL 50 HA VAL 50 -1.015 -6.135 1.983 377 HB VAL 50 HB VAL 50 -0.365 -8.904 0.897 378 HG11 VAL 50 HG11 VAL 50 1.637 -7.508 1.115 379 HG12 VAL 50 HG12 VAL 50 1.640 -8.769 2.349 380 HG13 VAL 50 HG13 VAL 50 1.207 -7.113 2.782 381 HG21 VAL 50 HG21 VAL 50 -1.060 -8.103 3.753 382 HG22 VAL 50 HG22 VAL 50 -0.522 -9.705 3.238 383 HG23 VAL 50 HG23 VAL 50 -2.070 -9.069 2.673 384 H LEU 51 H LEU 51 -0.426 -4.481 0.687 385 HA LEU 51 HA LEU 51 0.537 -4.917 -2.052 386 HB2 LEU 51 HB2 LEU 51 -0.819 -2.945 -1.744 387 HB3 LEU 51 HB3 LEU 51 0.121 -2.407 -0.384 388 HG LEU 51 HG LEU 51 0.334 -1.109 -2.650 389 HD11 LEU 51 HD11 LEU 51 1.822 -0.674 -0.755 390 HD12 LEU 51 HD12 LEU 51 2.664 -0.534 -2.291 391 HD13 LEU 51 HD13 LEU 51 2.908 -1.962 -1.282 392 HD21 LEU 51 HD21 LEU 51 2.132 -3.458 -3.321 393 HD22 LEU 51 HD22 LEU 51 1.984 -1.952 -4.234 394 HD23 LEU 51 HD23 LEU 51 0.610 -3.039 -4.107 395 H ARG 52 H ARG 52 2.536 -5.773 -2.176 396 HA ARG 52 HA ARG 52 4.677 -4.680 -0.453 397 HB2 ARG 52 HB2 ARG 52 4.555 -7.333 -1.932 398 HB3 ARG 52 HB3 ARG 52 5.948 -6.750 -1.015 399 HG2 ARG 52 HG2 ARG 52 4.540 -6.727 1.042 400 HG3 ARG 52 HG3 ARG 52 3.203 -7.408 0.104 401 HD2 ARG 52 HD2 ARG 52 4.454 -9.127 1.391 402 HD3 ARG 52 HD3 ARG 52 4.496 -9.417 -0.355 403 HE ARG 52 HE ARG 52 6.741 -7.908 0.669 404 HH11 ARG 52 HH11 ARG 52 5.605 -11.102 -0.003 405 HH12 ARG 52 HH12 ARG 52 7.203 -11.737 -0.151 406 HH21 ARG 52 HH21 ARG 52 8.747 -8.732 0.446 407 HH22 ARG 52 HH22 ARG 52 8.956 -10.412 0.095 408 H VAL 53 H VAL 53 5.450 -2.930 -1.620 409 HA VAL 53 HA VAL 53 6.383 -3.375 -4.380 410 HB VAL 53 HB VAL 53 6.630 -0.841 -2.682 411 HG11 VAL 53 HG11 VAL 53 7.183 -1.309 -5.647 412 HG12 VAL 53 HG12 VAL 53 8.379 -0.937 -4.395 413 HG13 VAL 53 HG13 VAL 53 7.180 0.272 -4.855 414 HG21 VAL 53 HG21 VAL 53 4.264 -1.350 -3.188 415 HG22 VAL 53 HG22 VAL 53 4.642 -1.471 -4.905 416 HG23 VAL 53 HG23 VAL 53 4.801 0.079 -4.075 417 H GLN 54 H GLN 54 8.044 -4.770 -4.241 418 HA GLN 54 HA GLN 54 9.997 -4.879 -2.189 419 HB2 GLN 54 HB2 GLN 54 9.322 -6.819 -3.602 420 HB3 GLN 54 HB3 GLN 54 10.081 -6.061 -4.996 421 HG2 GLN 54 HG2 GLN 54 12.279 -6.234 -3.910 422 HG3 GLN 54 HG3 GLN 54 11.532 -6.971 -2.494 423 HE21 GLN 54 HE21 GLN 54 10.691 -9.101 -2.688 424 HE22 GLN 54 HE22 GLN 54 11.205 -10.153 -3.955 425 H GLY 55 H GLY 55 11.098 -3.042 -1.885 426 HA2 GLY 55 HA2 GLY 55 13.357 -2.272 -3.265 427 HA3 GLY 55 HA3 GLY 55 12.063 -1.271 -3.918 428 H ALA 56 H ALA 56 10.554 -0.429 -2.089 429 HA ALA 56 HA ALA 56 10.219 1.116 -0.483 430 HB1 ALA 56 HB1 ALA 56 10.097 -0.976 0.799 431 HB2 ALA 56 HB2 ALA 56 10.704 0.346 1.802 432 HB3 ALA 56 HB3 ALA 56 11.819 -0.868 1.164 433 H ARG 57 H ARG 57 11.642 2.720 -1.646 434 HA ARG 57 HA ARG 57 13.857 3.683 -0.022 435 HB2 ARG 57 HB2 ARG 57 14.865 1.835 -1.328 436 HB3 ARG 57 HB3 ARG 57 14.356 2.600 -2.828 437 HG2 ARG 57 HG2 ARG 57 15.898 4.476 -2.417 438 HG3 ARG 57 HG3 ARG 57 16.363 3.772 -0.863 439 HD2 ARG 57 HD2 ARG 57 17.254 1.782 -2.035 440 HD3 ARG 57 HD3 ARG 57 16.805 2.492 -3.589 441 HE ARG 57 HE ARG 57 18.415 4.391 -2.612 442 HH11 ARG 57 HH11 ARG 57 18.894 0.967 -2.647 443 HH12 ARG 57 HH12 ARG 57 20.601 1.100 -2.852 444 HH21 ARG 57 HH21 ARG 57 20.603 4.538 -2.896 445 HH22 ARG 57 HH22 ARG 57 21.555 3.101 -3.001 446 H SER 58 H SER 58 12.455 3.962 -3.333 447 HA SER 58 HA SER 58 12.301 6.901 -3.063 448 HB2 SER 58 HB2 SER 58 13.768 5.508 -5.350 449 HB3 SER 58 HB3 SER 58 13.400 7.241 -5.288 450 HG SER 58 HG SER 58 14.592 6.976 -3.105 451 H GLY 59 H GLY 59 10.310 7.513 -3.641 452 HA2 GLY 59 HA2 GLY 59 8.373 7.723 -4.924 453 HA3 GLY 59 HA3 GLY 59 8.893 6.385 -5.935 454 H ASP 60 H ASP 60 9.288 5.147 -2.980 455 HA ASP 60 HA ASP 60 6.861 3.580 -2.984 456 HB2 ASP 60 HB2 ASP 60 9.187 3.630 -1.005 457 HB3 ASP 60 HB3 ASP 60 7.951 2.372 -1.120 458 H ALA 61 H ALA 61 8.164 6.254 -1.107 459 HA ALA 61 HA ALA 61 6.224 6.177 1.039 460 HB1 ALA 61 HB1 ALA 61 7.249 8.324 1.732 461 HB2 ALA 61 HB2 ALA 61 8.199 8.358 0.243 462 HB3 ALA 61 HB3 ALA 61 8.473 7.089 1.441 463 H GLY 62 H GLY 62 4.181 6.898 0.855 464 HA2 GLY 62 HA2 GLY 62 3.308 9.285 -0.271 465 HA3 GLY 62 HA3 GLY 62 3.178 8.070 -1.530 466 H GLU 63 H GLU 63 0.872 8.988 -1.185 467 HA GLU 63 HA GLU 63 -0.577 7.763 1.053 468 HB2 GLU 63 HB2 GLU 63 -1.646 9.548 -1.174 469 HB3 GLU 63 HB3 GLU 63 -2.525 9.011 0.249 470 HG2 GLU 63 HG2 GLU 63 -1.938 11.241 0.711 471 HG3 GLU 63 HG3 GLU 63 -0.796 10.278 1.644 472 H TYR 64 H TYR 64 -1.108 5.681 0.775 473 HA TYR 64 HA TYR 64 -2.015 4.665 -1.833 474 HB2 TYR 64 HB2 TYR 64 -1.289 3.257 0.759 475 HB3 TYR 64 HB3 TYR 64 -1.939 2.426 -0.647 476 HD1 TYR 64 HD2 TYR 64 0.958 4.533 0.472 477 HD2 TYR 64 HD1 TYR 64 -0.489 1.698 -2.391 478 HE1 TYR 64 HE2 TYR 64 3.238 4.237 -0.402 479 HE2 TYR 64 HE1 TYR 64 1.784 1.426 -3.273 480 HH TYR 64 HH TYR 64 4.558 2.661 -1.683 481 H LEU 65 H LEU 65 -4.141 4.499 -2.286 482 HA LEU 65 HA LEU 65 -6.159 4.705 -0.149 483 HB2 LEU 65 HB2 LEU 65 -6.469 6.218 -2.014 484 HB3 LEU 65 HB3 LEU 65 -6.357 4.906 -3.172 485 HG LEU 65 HG LEU 65 -8.520 3.992 -2.383 486 HD11 LEU 65 HD11 LEU 65 -9.971 5.253 -0.850 487 HD12 LEU 65 HD12 LEU 65 -8.660 6.391 -0.530 488 HD13 LEU 65 HD13 LEU 65 -8.500 4.700 -0.049 489 HD21 LEU 65 HD21 LEU 65 -9.979 5.727 -3.310 490 HD22 LEU 65 HD22 LEU 65 -8.503 5.567 -4.260 491 HD23 LEU 65 HD23 LEU 65 -8.691 6.924 -3.143 492 H CYS 66 H CYS 66 -6.856 2.870 0.719 493 HA CYS 66 HA CYS 66 -7.133 0.357 -0.771 494 HB2 CYS 66 HB2 CYS 66 -6.215 0.221 1.484 495 HB3 CYS 66 HB3 CYS 66 -7.582 1.104 2.150 496 HG CYS 66 HG CYS 66 -9.420 -0.969 1.588 497 H ASP 67 H ASP 67 -8.804 0.863 -2.215 498 HA ASP 67 HA ASP 67 -11.366 1.937 -1.268 499 HB2 ASP 67 HB2 ASP 67 -10.526 2.961 -3.265 500 HB3 ASP 67 HB3 ASP 67 -10.177 1.404 -4.005 501 H ALA 68 H ALA 68 -12.674 0.461 -0.352 502 HA ALA 68 HA ALA 68 -13.139 -2.171 -1.667 503 HB1 ALA 68 HB1 ALA 68 -13.499 -1.406 1.259 504 HB2 ALA 68 HB2 ALA 68 -12.154 -2.338 0.597 505 HB3 ALA 68 HB3 ALA 68 -13.786 -3.003 0.557 506 HA PRO 69 HA PRO 69 -17.572 -1.081 -2.173 507 HB2 PRO 69 HB2 PRO 69 -18.755 -3.490 -1.391 508 HB3 PRO 69 HB3 PRO 69 -18.112 -3.169 -3.007 509 HG2 PRO 69 HG2 PRO 69 -16.790 -4.576 -0.684 510 HG3 PRO 69 HG3 PRO 69 -16.827 -5.045 -2.398 511 HD2 PRO 69 HD2 PRO 69 -14.657 -3.873 -1.368 512 HD3 PRO 69 HD3 PRO 69 -15.211 -3.433 -3.001 513 H GLN 70 H GLN 70 -16.492 -2.703 0.788 514 HA GLN 70 HA GLN 70 -18.281 -1.037 2.472 515 HB2 GLN 70 HB2 GLN 70 -16.608 -3.497 3.157 516 HB3 GLN 70 HB3 GLN 70 -17.568 -2.581 4.316 517 HG2 GLN 70 HG2 GLN 70 -19.625 -3.215 3.158 518 HG3 GLN 70 HG3 GLN 70 -18.696 -4.081 1.931 519 HE21 GLN 70 HE21 GLN 70 -17.723 -6.058 2.488 520 HE22 GLN 70 HE22 GLN 70 -18.148 -6.919 3.920 521 H ASP 71 H ASP 71 -17.216 0.907 2.601 522 HA ASP 71 HA ASP 71 -15.895 2.495 3.491 523 HB2 ASP 71 HB2 ASP 71 -15.798 1.159 5.531 524 HB3 ASP 71 HB3 ASP 71 -14.501 0.172 4.877 525 H SER 72 H SER 72 -14.143 3.715 2.904 526 HA SER 72 HA SER 72 -11.964 2.479 1.304 527 HB2 SER 72 HB2 SER 72 -11.750 4.655 0.112 528 HB3 SER 72 HB3 SER 72 -13.353 3.956 -0.108 529 HG SER 72 HG SER 72 -12.685 5.992 1.770 530 H ARG 73 H ARG 73 -10.029 2.586 2.291 531 HA ARG 73 HA ARG 73 -9.671 4.402 4.602 532 HB2 ARG 73 HB2 ARG 73 -9.669 1.763 4.786 533 HB3 ARG 73 HB3 ARG 73 -8.042 1.883 4.141 534 HG2 ARG 73 HG2 ARG 73 -7.500 1.954 6.354 535 HG3 ARG 73 HG3 ARG 73 -7.806 3.676 6.139 536 HD2 ARG 73 HD2 ARG 73 -9.614 1.591 7.400 537 HD3 ARG 73 HD3 ARG 73 -8.933 3.034 8.151 538 HE ARG 73 HE ARG 73 -11.110 3.024 6.132 539 HH11 ARG 73 HH11 ARG 73 -9.534 4.661 8.739 540 HH12 ARG 73 HH12 ARG 73 -10.861 5.733 8.988 541 HH21 ARG 73 HH21 ARG 73 -12.776 4.400 6.478 542 HH22 ARG 73 HH22 ARG 73 -12.663 5.594 7.724 543 H ILE 74 H ILE 74 -7.673 5.510 4.873 544 HA ILE 74 HA ILE 74 -5.931 5.714 2.475 545 HB ILE 74 HB ILE 74 -6.277 7.724 4.751 546 HG12 ILE 74 HG12 ILE 74 -8.268 7.624 3.260 547 HG13 ILE 74 HG13 ILE 74 -7.426 9.157 3.097 548 HG21 ILE 74 HG21 ILE 74 -4.611 7.969 2.210 549 HG22 ILE 74 HG22 ILE 74 -3.989 7.828 3.856 550 HG23 ILE 74 HG23 ILE 74 -4.890 9.265 3.375 551 HD11 ILE 74 HD11 ILE 74 -8.188 8.334 0.955 552 HD12 ILE 74 HD12 ILE 74 -7.271 6.845 1.168 553 HD13 ILE 74 HD13 ILE 74 -6.427 8.387 0.999 554 H PHE 75 H PHE 75 -3.824 5.226 2.604 555 HA PHE 75 HA PHE 75 -2.604 4.391 5.168 556 HB2 PHE 75 HB2 PHE 75 -2.260 3.288 2.348 557 HB3 PHE 75 HB3 PHE 75 -1.081 2.968 3.614 558 HD1 PHE 75 HD2 PHE 75 -4.847 2.851 3.315 559 HD2 PHE 75 HD1 PHE 75 -1.278 0.842 4.568 560 HE1 PHE 75 HE2 PHE 75 -6.184 0.949 4.102 561 HE2 PHE 75 HE1 PHE 75 -2.637 -1.058 5.339 562 HZ PHE 75 HZ PHE 75 -5.083 -0.997 5.109 563 H LEU 76 H LEU 76 -1.432 6.148 5.788 564 HA LEU 76 HA LEU 76 0.180 7.695 3.913 565 HB2 LEU 76 HB2 LEU 76 -0.122 7.851 6.941 566 HB3 LEU 76 HB3 LEU 76 0.878 8.947 5.994 567 HG LEU 76 HG LEU 76 -2.153 8.678 5.806 568 HD11 LEU 76 HD11 LEU 76 -0.471 10.967 6.876 569 HD12 LEU 76 HD12 LEU 76 -1.425 9.836 7.840 570 HD13 LEU 76 HD13 LEU 76 -2.232 10.939 6.729 571 HD21 LEU 76 HD21 LEU 76 -0.299 10.523 4.262 572 HD22 LEU 76 HD22 LEU 76 -2.065 10.581 4.236 573 HD23 LEU 76 HD23 LEU 76 -1.223 9.171 3.602 574 H VAL 77 H VAL 77 2.069 6.869 3.226 575 HA VAL 77 HA VAL 77 3.643 5.072 4.978 576 HB VAL 77 HB VAL 77 3.635 5.355 1.943 577 HG11 VAL 77 HG11 VAL 77 5.331 3.492 3.661 578 HG12 VAL 77 HG12 VAL 77 5.931 4.846 2.700 579 HG13 VAL 77 HG13 VAL 77 5.221 3.445 1.900 580 HG21 VAL 77 HG21 VAL 77 2.719 3.051 1.973 581 HG22 VAL 77 HG22 VAL 77 1.665 4.169 2.841 582 HG23 VAL 77 HG23 VAL 77 2.716 3.070 3.738 583 H SER 78 H SER 78 5.561 5.671 5.702 584 HA SER 78 HA SER 78 7.068 7.878 4.404 585 HB2 SER 78 HB2 SER 78 6.800 7.330 7.389 586 HB3 SER 78 HB3 SER 78 7.873 8.543 6.666 587 HG SER 78 HG SER 78 5.863 9.400 5.688 588 H VAL 79 H VAL 79 8.712 6.879 3.405 589 HA VAL 79 HA VAL 79 10.161 4.639 4.652 590 HB VAL 79 HB VAL 79 10.495 5.897 1.884 591 HG11 VAL 79 HG11 VAL 79 12.570 4.802 2.621 592 HG12 VAL 79 HG12 VAL 79 11.815 3.866 1.331 593 HG13 VAL 79 HG13 VAL 79 11.680 3.324 3.005 594 HG21 VAL 79 HG21 VAL 79 8.279 4.825 2.100 595 HG22 VAL 79 HG22 VAL 79 9.036 3.331 2.662 596 HG23 VAL 79 HG23 VAL 79 9.312 3.893 1.012 597 H GLU 80 H GLU 80 11.692 5.259 6.070 598 HA GLU 80 HA GLU 80 13.752 7.187 5.499 599 HB2 GLU 80 HB2 GLU 80 13.179 8.754 7.352 600 HB3 GLU 80 HB3 GLU 80 11.950 8.748 6.090 601 HG2 GLU 80 HG2 GLU 80 10.574 7.200 7.517 602 HG3 GLU 80 HG3 GLU 80 11.779 7.379 8.797 603 H GLU 81 H GLU 81 14.964 7.669 7.733 604 HA GLU 81 HA GLU 81 16.416 6.902 9.274 605 HB2 GLU 81 HB2 GLU 81 14.377 6.593 10.642 606 HB3 GLU 81 HB3 GLU 81 14.180 4.968 10.000 607 HG2 GLU 81 HG2 GLU 81 16.328 4.313 11.069 608 HG3 GLU 81 HG3 GLU 81 16.459 5.935 11.759 609 HA PRO 82 HA PRO 82 17.814 3.541 6.338 610 HB2 PRO 82 HB2 PRO 82 20.338 4.537 5.899 611 HB3 PRO 82 HB3 PRO 82 18.906 5.080 5.019 612 HG2 PRO 82 HG2 PRO 82 20.287 6.362 7.372 613 HG3 PRO 82 HG3 PRO 82 19.643 7.127 5.905 614 HD2 PRO 82 HD2 PRO 82 18.298 7.146 8.274 615 HD3 PRO 82 HD3 PRO 82 17.462 7.127 6.706 Start of MODEL 13 1 H MET 1 H1 MET 1 -5.543 8.194 10.623 2 HA MET 1 HA MET 1 -6.325 7.097 8.618 3 HB2 MET 1 HB2 MET 1 -4.020 8.648 7.370 4 HB3 MET 1 HB3 MET 1 -4.739 7.242 6.592 5 HG2 MET 1 HG2 MET 1 -5.656 9.305 5.668 6 HG3 MET 1 HG3 MET 1 -6.910 8.372 6.486 7 HE1 MET 1 HE1 MET 1 -7.365 11.402 5.672 8 HE2 MET 1 HE2 MET 1 -8.056 12.081 7.148 9 HE3 MET 1 HE3 MET 1 -8.568 10.491 6.586 10 H THR 2 H THR 2 -5.244 5.140 7.739 11 HA THR 2 HA THR 2 -3.785 3.815 9.845 12 HB THR 2 HB THR 2 -4.664 2.750 7.104 13 HG1 THR 2 HG1 THR 2 -6.300 1.932 9.022 14 HG21 THR 2 HG21 THR 2 -3.107 1.183 8.191 15 HG22 THR 2 HG22 THR 2 -4.751 0.521 8.205 16 HG23 THR 2 HG23 THR 2 -4.065 1.230 9.679 17 H ARG 3 H ARG 3 -1.671 4.786 9.880 18 HA ARG 3 HA ARG 3 -0.095 4.998 7.409 19 HB2 ARG 3 HB2 ARG 3 0.736 5.859 10.211 20 HB3 ARG 3 HB3 ARG 3 1.505 6.306 8.690 21 HG2 ARG 3 HG2 ARG 3 -0.746 7.434 8.097 22 HG3 ARG 3 HG3 ARG 3 -1.145 7.241 9.807 23 HD2 ARG 3 HD2 ARG 3 1.172 8.815 8.627 24 HD3 ARG 3 HD3 ARG 3 -0.249 9.466 9.446 25 HE ARG 3 HE ARG 3 1.145 7.728 11.187 26 HH11 ARG 3 HH11 ARG 3 1.408 10.905 9.841 27 HH12 ARG 3 HH12 ARG 3 2.434 11.460 11.112 28 HH21 ARG 3 HH21 ARG 3 2.475 8.465 12.765 29 HH22 ARG 3 HH22 ARG 3 3.027 10.101 12.737 30 H VAL 4 H VAL 4 2.023 4.178 7.137 31 HA VAL 4 HA VAL 4 3.025 2.060 8.942 32 HB VAL 4 HB VAL 4 2.610 1.697 5.927 33 HG11 VAL 4 HG11 VAL 4 3.997 -0.207 7.859 34 HG12 VAL 4 HG12 VAL 4 4.781 0.710 6.572 35 HG13 VAL 4 HG13 VAL 4 3.620 -0.556 6.169 36 HG21 VAL 4 HG21 VAL 4 0.550 1.288 7.228 37 HG22 VAL 4 HG22 VAL 4 1.409 0.145 8.260 38 HG23 VAL 4 HG23 VAL 4 1.164 -0.225 6.552 39 H ARG 5 H ARG 5 5.253 2.127 9.190 40 HA ARG 5 HA ARG 5 6.825 4.051 7.594 41 HB2 ARG 5 HB2 ARG 5 6.975 4.103 10.109 42 HB3 ARG 5 HB3 ARG 5 7.673 2.487 10.076 43 HG2 ARG 5 HG2 ARG 5 9.563 3.437 8.664 44 HG3 ARG 5 HG3 ARG 5 8.899 5.043 8.969 45 HD2 ARG 5 HD2 ARG 5 9.864 3.103 11.101 46 HD3 ARG 5 HD3 ARG 5 10.800 4.459 10.473 47 HE ARG 5 HE ARG 5 8.453 5.560 11.412 48 HH11 ARG 5 HH11 ARG 5 10.993 3.676 12.832 49 HH12 ARG 5 HH12 ARG 5 10.821 4.422 14.378 50 HH21 ARG 5 HH21 ARG 5 8.246 6.480 13.392 51 HH22 ARG 5 HH22 ARG 5 9.286 6.005 14.690 52 H SER 6 H SER 6 8.661 3.468 6.376 53 HA SER 6 HA SER 6 9.406 0.605 6.134 54 HB2 SER 6 HB2 SER 6 7.952 1.128 4.210 55 HB3 SER 6 HB3 SER 6 8.949 2.525 3.802 56 HG SER 6 HG SER 6 9.904 1.094 2.565 57 H THR 7 H THR 7 11.634 0.252 5.398 58 HA THR 7 HA THR 7 13.515 2.369 6.117 59 HB THR 7 HB THR 7 15.289 0.570 5.484 60 HG1 THR 7 HG1 THR 7 13.096 -1.229 5.687 61 HG21 THR 7 HG21 THR 7 15.023 -0.633 7.606 62 HG22 THR 7 HG22 THR 7 13.374 -0.020 7.760 63 HG23 THR 7 HG23 THR 7 14.744 1.100 7.805 64 HA PRO 8 HA PRO 8 14.198 3.880 1.998 65 HB2 PRO 8 HB2 PRO 8 16.574 5.135 2.242 66 HB3 PRO 8 HB3 PRO 8 15.160 5.646 3.177 67 HG2 PRO 8 HG2 PRO 8 17.425 3.874 4.062 68 HG3 PRO 8 HG3 PRO 8 16.757 5.311 4.869 69 HD2 PRO 8 HD2 PRO 8 15.998 2.791 5.549 70 HD3 PRO 8 HD3 PRO 8 14.875 4.167 5.636 71 H GLY 9 H GLY 9 14.227 1.745 1.092 72 HA2 GLY 9 HA2 GLY 9 15.502 0.948 -0.937 73 HA3 GLY 9 HA3 GLY 9 16.850 0.696 0.162 74 H GLY 10 H GLY 10 13.859 0.024 1.643 75 HA2 GLY 10 HA2 GLY 10 14.488 -2.868 1.600 76 HA3 GLY 10 HA3 GLY 10 13.638 -2.008 2.869 77 H ASP 11 H ASP 11 12.337 -4.060 2.485 78 HA ASP 11 HA ASP 11 10.449 -4.019 0.253 79 HB2 ASP 11 HB2 ASP 11 10.776 -5.921 2.628 80 HB3 ASP 11 HB3 ASP 11 9.575 -6.126 1.349 81 H LEU 12 H LEU 12 8.837 -2.479 0.483 82 HA LEU 12 HA LEU 12 7.499 -1.887 2.963 83 HB2 LEU 12 HB2 LEU 12 7.495 -0.260 1.100 84 HB3 LEU 12 HB3 LEU 12 6.653 -1.407 0.072 85 HG LEU 12 HG LEU 12 4.664 -1.272 1.621 86 HD11 LEU 12 HD11 LEU 12 4.519 0.566 3.252 87 HD12 LEU 12 HD12 LEU 12 6.215 0.958 2.971 88 HD13 LEU 12 HD13 LEU 12 5.773 -0.597 3.682 89 HD21 LEU 12 HD21 LEU 12 4.735 0.070 -0.450 90 HD22 LEU 12 HD22 LEU 12 5.499 1.395 0.431 91 HD23 LEU 12 HD23 LEU 12 3.854 0.902 0.833 92 H GLU 13 H GLU 13 5.656 -2.836 3.807 93 HA GLU 13 HA GLU 13 4.041 -4.691 2.206 94 HB2 GLU 13 HB2 GLU 13 5.717 -6.150 3.330 95 HB3 GLU 13 HB3 GLU 13 5.273 -5.471 4.895 96 HG2 GLU 13 HG2 GLU 13 2.924 -6.376 4.507 97 HG3 GLU 13 HG3 GLU 13 3.564 -7.209 3.090 98 H LEU 14 H LEU 14 2.083 -3.733 2.361 99 HA LEU 14 HA LEU 14 1.113 -2.599 4.904 100 HB2 LEU 14 HB2 LEU 14 -0.218 -2.518 2.151 101 HB3 LEU 14 HB3 LEU 14 -0.652 -1.566 3.567 102 HG LEU 14 HG LEU 14 1.881 -1.273 1.895 103 HD11 LEU 14 HD11 LEU 14 1.014 0.942 1.313 104 HD12 LEU 14 HD12 LEU 14 -0.453 0.632 2.248 105 HD13 LEU 14 HD13 LEU 14 -0.099 -0.331 0.811 106 HD21 LEU 14 HD21 LEU 14 1.079 0.291 4.367 107 HD22 LEU 14 HD22 LEU 14 2.456 0.642 3.316 108 HD23 LEU 14 HD23 LEU 14 2.417 -0.853 4.242 109 H VAL 15 H VAL 15 0.456 -4.380 6.124 110 HA VAL 15 HA VAL 15 -1.455 -6.323 4.973 111 HB VAL 15 HB VAL 15 -0.106 -6.301 7.725 112 HG11 VAL 15 HG11 VAL 15 -1.885 -8.441 6.476 113 HG12 VAL 15 HG12 VAL 15 -2.303 -7.417 7.850 114 HG13 VAL 15 HG13 VAL 15 -1.006 -8.601 7.999 115 HG21 VAL 15 HG21 VAL 15 0.440 -8.028 5.274 116 HG22 VAL 15 HG22 VAL 15 1.204 -8.225 6.853 117 HG23 VAL 15 HG23 VAL 15 1.492 -6.762 5.914 118 H VAL 16 H VAL 16 -3.481 -5.669 5.001 119 HA VAL 16 HA VAL 16 -4.311 -3.414 6.708 120 HB VAL 16 HB VAL 16 -5.699 -4.522 4.221 121 HG11 VAL 16 HG11 VAL 16 -6.704 -2.274 4.054 122 HG12 VAL 16 HG12 VAL 16 -5.882 -1.790 5.538 123 HG13 VAL 16 HG13 VAL 16 -7.113 -3.053 5.584 124 HG21 VAL 16 HG21 VAL 16 -3.423 -3.943 3.569 125 HG22 VAL 16 HG22 VAL 16 -3.571 -2.357 4.320 126 HG23 VAL 16 HG23 VAL 16 -4.555 -2.759 2.913 127 H HIS 17 H HIS 17 -6.055 -3.561 8.113 128 HA HIS 17 HA HIS 17 -8.027 -5.738 7.774 129 HB2 HIS 17 HB2 HIS 17 -6.739 -4.957 10.427 130 HB3 HIS 17 HB3 HIS 17 -8.129 -6.021 10.270 131 HD1 HIS 17 HD1 HIS 17 -4.509 -6.111 10.440 132 HD2 HIS 17 HD2 HIS 17 -7.460 -8.461 8.694 133 HE1 HIS 17 HE1 HIS 17 -3.407 -8.300 9.925 134 HE2 HIS 17 HE2 HIS 17 -5.256 -9.756 9.057 135 H LEU 18 H LEU 18 -8.317 -3.218 6.769 136 HA LEU 18 HA LEU 18 -9.818 -1.391 8.236 137 HB2 LEU 18 HB2 LEU 18 -10.865 -0.786 5.972 138 HB3 LEU 18 HB3 LEU 18 -9.132 -0.677 6.129 139 HG LEU 18 HG LEU 18 -8.871 -2.804 4.860 140 HD11 LEU 18 HD11 LEU 18 -10.946 -3.952 5.304 141 HD12 LEU 18 HD12 LEU 18 -10.687 -3.782 3.569 142 HD13 LEU 18 HD13 LEU 18 -11.847 -2.736 4.396 143 HD21 LEU 18 HD21 LEU 18 -8.711 -0.670 3.697 144 HD22 LEU 18 HD22 LEU 18 -10.451 -0.677 3.388 145 HD23 LEU 18 HD23 LEU 18 -9.415 -1.899 2.643 146 H SER 19 H SER 19 -12.254 -0.882 7.525 147 HA SER 19 HA SER 19 -13.816 -3.015 8.816 148 HB2 SER 19 HB2 SER 19 -14.521 -0.106 8.245 149 HB3 SER 19 HB3 SER 19 -15.476 -1.225 9.225 150 HG SER 19 HG SER 19 -13.829 -1.279 10.728 151 H GLY 20 H GLY 20 -13.075 -2.883 5.805 152 HA2 GLY 20 HA2 GLY 20 -15.418 -2.611 4.258 153 HA3 GLY 20 HA3 GLY 20 -13.991 -3.521 3.809 154 HA PRO 21 HA PRO 21 -17.482 -6.279 5.924 155 HB2 PRO 21 HB2 PRO 21 -19.883 -6.044 4.684 156 HB3 PRO 21 HB3 PRO 21 -19.342 -4.861 5.887 157 HG2 PRO 21 HG2 PRO 21 -19.252 -4.682 2.874 158 HG3 PRO 21 HG3 PRO 21 -19.792 -3.461 4.049 159 HD2 PRO 21 HD2 PRO 21 -17.284 -3.465 2.909 160 HD3 PRO 21 HD3 PRO 21 -17.621 -2.772 4.508 161 H GLY 22 H GLY 22 -15.831 -6.548 3.233 162 HA2 GLY 22 HA2 GLY 22 -16.102 -9.273 2.866 163 HA3 GLY 22 HA3 GLY 22 -17.196 -8.556 1.689 164 H GLY 23 H GLY 23 -16.371 -7.804 -0.204 165 HA2 GLY 23 HA2 GLY 23 -13.920 -6.776 -0.869 166 HA3 GLY 23 HA3 GLY 23 -13.661 -8.516 -0.905 167 HA PRO 24 HA PRO 24 -12.225 -8.054 -2.616 168 HB2 PRO 24 HB2 PRO 24 -11.239 -7.470 -5.064 169 HB3 PRO 24 HB3 PRO 24 -11.950 -9.054 -4.715 170 HG2 PRO 24 HG2 PRO 24 -13.191 -6.686 -6.115 171 HG3 PRO 24 HG3 PRO 24 -13.250 -8.405 -6.559 172 HD2 PRO 24 HD2 PRO 24 -15.280 -7.100 -5.202 173 HD3 PRO 24 HD3 PRO 24 -14.995 -8.850 -5.095 174 H VAL 25 H VAL 25 -10.482 -6.485 -2.609 175 HA VAL 25 HA VAL 25 -11.414 -3.677 -2.408 176 HB VAL 25 HB VAL 25 -9.082 -5.071 -1.015 177 HG11 VAL 25 HG11 VAL 25 -8.616 -2.680 -1.287 178 HG12 VAL 25 HG12 VAL 25 -8.915 -3.061 0.409 179 HG13 VAL 25 HG13 VAL 25 -10.168 -2.278 -0.553 180 HG21 VAL 25 HG21 VAL 25 -11.795 -4.281 0.115 181 HG22 VAL 25 HG22 VAL 25 -10.455 -4.944 1.051 182 HG23 VAL 25 HG23 VAL 25 -11.235 -5.928 -0.188 183 H ARG 26 H ARG 26 -10.102 -2.014 -3.261 184 HA ARG 26 HA ARG 26 -8.282 -2.765 -5.452 185 HB2 ARG 26 HB2 ARG 26 -9.646 -0.120 -4.792 186 HB3 ARG 26 HB3 ARG 26 -8.611 -0.397 -6.193 187 HG2 ARG 26 HG2 ARG 26 -10.248 -2.056 -7.055 188 HG3 ARG 26 HG3 ARG 26 -11.285 -1.747 -5.656 189 HD2 ARG 26 HD2 ARG 26 -11.553 0.586 -6.330 190 HD3 ARG 26 HD3 ARG 26 -10.433 0.354 -7.679 191 HE ARG 26 HE ARG 26 -12.716 -1.399 -7.753 192 HH11 ARG 26 HH11 ARG 26 -11.505 1.692 -8.695 193 HH12 ARG 26 HH12 ARG 26 -12.731 1.926 -9.894 194 HH21 ARG 26 HH21 ARG 26 -14.241 -1.108 -9.324 195 HH22 ARG 26 HH22 ARG 26 -14.270 0.362 -10.236 196 H TRP 27 H TRP 27 -6.392 -1.369 -5.828 197 HA TRP 27 HA TRP 27 -5.214 -0.106 -3.435 198 HB2 TRP 27 HB2 TRP 27 -3.980 -2.243 -5.208 199 HB3 TRP 27 HB3 TRP 27 -2.943 -1.078 -4.387 200 HD1 TRP 27 HD1 TRP 27 -4.761 -4.312 -3.743 201 HE1 TRP 27 HE1 TRP 27 -4.474 -4.950 -1.270 202 HE3 TRP 27 HE3 TRP 27 -2.877 0.105 -1.992 203 HZ2 TRP 27 HZ2 TRP 27 -3.579 -3.725 1.118 204 HZ3 TRP 27 HZ3 TRP 27 -2.342 0.306 0.404 205 HH2 TRP 27 HH2 TRP 27 -2.686 -1.573 1.924 206 H TYR 28 H TYR 28 -4.677 1.910 -3.817 207 HA TYR 28 HA TYR 28 -3.778 2.765 -6.518 208 HB2 TYR 28 HB2 TYR 28 -5.299 4.393 -4.439 209 HB3 TYR 28 HB3 TYR 28 -4.670 5.033 -5.952 210 HD1 TYR 28 HD2 TYR 28 -7.296 2.909 -4.436 211 HD2 TYR 28 HD1 TYR 28 -5.791 4.536 -8.094 212 HE1 TYR 28 HE2 TYR 28 -9.395 2.323 -5.567 213 HE2 TYR 28 HE1 TYR 28 -7.889 3.959 -9.219 214 HH TYR 28 HH TYR 28 -10.686 3.123 -7.570 215 H LYS 29 H LYS 29 -2.280 4.583 -6.519 216 HA LYS 29 HA LYS 29 -0.936 5.357 -4.056 217 HB2 LYS 29 HB2 LYS 29 0.451 3.473 -4.526 218 HB3 LYS 29 HB3 LYS 29 0.481 3.796 -6.246 219 HG2 LYS 29 HG2 LYS 29 2.651 4.280 -5.174 220 HG3 LYS 29 HG3 LYS 29 1.948 5.720 -5.913 221 HD2 LYS 29 HD2 LYS 29 1.179 6.490 -3.684 222 HD3 LYS 29 HD3 LYS 29 1.880 5.050 -2.941 223 HE2 LYS 29 HE2 LYS 29 3.392 7.255 -4.389 224 HE3 LYS 29 HE3 LYS 29 3.365 6.966 -2.648 225 HZ1 LYS 29 HZ1 LYS 29 4.437 5.061 -4.662 226 HZ2 LYS 29 HZ2 LYS 29 4.503 4.889 -2.978 227 HZ3 LYS 29 HZ3 LYS 29 5.372 6.124 -3.739 228 H ASP 30 H ASP 30 -0.827 7.496 -4.141 229 HA ASP 30 HA ASP 30 -0.517 9.648 -4.747 230 HB2 ASP 30 HB2 ASP 30 1.714 8.627 -5.451 231 HB3 ASP 30 HB3 ASP 30 1.094 8.517 -7.090 232 H GLY 31 H GLY 31 -2.820 8.060 -5.913 233 HA2 GLY 31 HA2 GLY 31 -4.721 8.973 -7.003 234 HA3 GLY 31 HA3 GLY 31 -3.688 10.000 -7.978 235 H GLU 32 H GLU 32 -2.255 7.010 -8.127 236 HA GLU 32 HA GLU 32 -3.923 6.032 -10.388 237 HB2 GLU 32 HB2 GLU 32 -1.897 7.173 -11.269 238 HB3 GLU 32 HB3 GLU 32 -0.865 6.136 -10.283 239 HG2 GLU 32 HG2 GLU 32 -1.839 4.150 -11.561 240 HG3 GLU 32 HG3 GLU 32 -2.603 5.318 -12.639 241 H ARG 33 H ARG 33 -4.489 3.952 -10.219 242 HA ARG 33 HA ARG 33 -3.914 2.302 -8.037 243 HB2 ARG 33 HB2 ARG 33 -5.182 0.578 -9.104 244 HB3 ARG 33 HB3 ARG 33 -5.934 2.098 -9.546 245 HG2 ARG 33 HG2 ARG 33 -4.015 0.606 -11.355 246 HG3 ARG 33 HG3 ARG 33 -5.764 0.369 -11.396 247 HD2 ARG 33 HD2 ARG 33 -6.058 2.762 -11.966 248 HD3 ARG 33 HD3 ARG 33 -4.308 2.979 -11.934 249 HE ARG 33 HE ARG 33 -4.135 1.543 -13.858 250 HH11 ARG 33 HH11 ARG 33 -7.381 2.560 -13.159 251 HH12 ARG 33 HH12 ARG 33 -7.913 2.303 -14.785 252 HH21 ARG 33 HH21 ARG 33 -4.838 1.255 -15.918 253 HH22 ARG 33 HH22 ARG 33 -6.492 1.564 -16.319 254 H LEU 34 H LEU 34 -2.718 0.377 -7.788 255 HA LEU 34 HA LEU 34 -0.337 0.049 -9.501 256 HB2 LEU 34 HB2 LEU 34 -1.003 -1.317 -6.855 257 HB3 LEU 34 HB3 LEU 34 0.520 -1.431 -7.723 258 HG LEU 34 HG LEU 34 -0.592 1.022 -6.304 259 HD11 LEU 34 HD11 LEU 34 1.439 0.851 -4.929 260 HD12 LEU 34 HD12 LEU 34 1.885 -0.633 -5.781 261 HD13 LEU 34 HD13 LEU 34 0.419 -0.583 -4.802 262 HD21 LEU 34 HD21 LEU 34 0.467 1.768 -8.398 263 HD22 LEU 34 HD22 LEU 34 1.917 0.835 -8.021 264 HD23 LEU 34 HD23 LEU 34 1.467 2.213 -7.015 265 H ALA 35 H ALA 35 0.255 -2.034 -10.346 266 HA ALA 35 HA ALA 35 -2.000 -3.892 -10.858 267 HB1 ALA 35 HB1 ALA 35 -0.968 -2.912 -12.875 268 HB2 ALA 35 HB2 ALA 35 -0.713 -4.657 -12.821 269 HB3 ALA 35 HB3 ALA 35 0.606 -3.557 -12.405 270 H SER 36 H SER 36 -1.742 -6.122 -10.528 271 HA SER 36 HA SER 36 0.050 -6.939 -8.418 272 HB2 SER 36 HB2 SER 36 -1.067 -9.194 -8.735 273 HB3 SER 36 HB3 SER 36 -2.185 -7.865 -8.442 274 HG SER 36 HG SER 36 -1.577 -9.085 -10.939 275 H GLN 37 H GLN 37 2.115 -6.631 -9.310 276 HA GLN 37 HA GLN 37 3.013 -8.575 -11.391 277 HB2 GLN 37 HB2 GLN 37 3.963 -5.717 -10.881 278 HB3 GLN 37 HB3 GLN 37 4.757 -6.831 -11.990 279 HG2 GLN 37 HG2 GLN 37 1.901 -5.830 -12.256 280 HG3 GLN 37 HG3 GLN 37 3.287 -5.215 -13.158 281 HE21 GLN 37 HE21 GLN 37 0.805 -6.511 -14.100 282 HE22 GLN 37 HE22 GLN 37 1.321 -7.839 -15.070 283 H GLY 38 H GLY 38 5.577 -8.708 -11.292 284 HA2 GLY 38 HA2 GLY 38 6.575 -9.490 -8.716 285 HA3 GLY 38 HA3 GLY 38 7.537 -9.215 -10.170 286 H ARG 39 H ARG 39 8.079 -8.381 -7.402 287 HA ARG 39 HA ARG 39 8.970 -6.700 -6.202 288 HB2 ARG 39 HB2 ARG 39 10.003 -5.851 -8.275 289 HB3 ARG 39 HB3 ARG 39 8.546 -4.951 -8.660 290 HG2 ARG 39 HG2 ARG 39 8.900 -3.481 -6.736 291 HG3 ARG 39 HG3 ARG 39 10.302 -4.434 -6.236 292 HD2 ARG 39 HD2 ARG 39 10.031 -2.769 -8.768 293 HD3 ARG 39 HD3 ARG 39 11.064 -2.420 -7.372 294 HE ARG 39 HE ARG 39 11.689 -4.968 -8.465 295 HH11 ARG 39 HH11 ARG 39 12.270 -1.608 -9.050 296 HH12 ARG 39 HH12 ARG 39 13.640 -1.940 -10.042 297 HH21 ARG 39 HH21 ARG 39 13.416 -5.332 -9.709 298 HH22 ARG 39 HH22 ARG 39 14.284 -4.004 -10.393 299 H VAL 40 H VAL 40 6.218 -5.323 -8.081 300 HA VAL 40 HA VAL 40 4.993 -4.258 -5.610 301 HB VAL 40 HB VAL 40 4.213 -3.763 -8.530 302 HG11 VAL 40 HG11 VAL 40 2.290 -3.512 -7.016 303 HG12 VAL 40 HG12 VAL 40 2.793 -1.935 -7.624 304 HG13 VAL 40 HG13 VAL 40 3.219 -2.422 -5.981 305 HG21 VAL 40 HG21 VAL 40 5.757 -1.960 -6.612 306 HG22 VAL 40 HG22 VAL 40 5.229 -1.514 -8.236 307 HG23 VAL 40 HG23 VAL 40 6.427 -2.790 -8.019 308 H GLN 41 H GLN 41 4.186 -6.156 -4.719 309 HA GLN 41 HA GLN 41 2.512 -8.017 -6.240 310 HB2 GLN 41 HB2 GLN 41 3.481 -8.075 -3.350 311 HB3 GLN 41 HB3 GLN 41 2.642 -9.392 -4.173 312 HG2 GLN 41 HG2 GLN 41 4.506 -9.735 -5.678 313 HG3 GLN 41 HG3 GLN 41 5.325 -8.291 -5.073 314 HE21 GLN 41 HE21 GLN 41 6.389 -8.393 -3.074 315 HE22 GLN 41 HE22 GLN 41 6.710 -9.894 -2.282 316 H LEU 42 H LEU 42 0.290 -8.075 -6.108 317 HA LEU 42 HA LEU 42 -1.074 -6.695 -3.852 318 HB2 LEU 42 HB2 LEU 42 -2.191 -7.348 -6.617 319 HB3 LEU 42 HB3 LEU 42 -3.096 -6.608 -5.306 320 HG LEU 42 HG LEU 42 -0.790 -5.355 -6.857 321 HD11 LEU 42 HD11 LEU 42 -3.725 -4.591 -6.659 322 HD12 LEU 42 HD12 LEU 42 -2.933 -5.342 -8.050 323 HD13 LEU 42 HD13 LEU 42 -2.482 -3.711 -7.558 324 HD21 LEU 42 HD21 LEU 42 -2.283 -4.221 -4.467 325 HD22 LEU 42 HD22 LEU 42 -1.160 -3.326 -5.492 326 HD23 LEU 42 HD23 LEU 42 -0.578 -4.675 -4.525 327 H GLU 43 H GLU 43 -2.180 -7.929 -2.454 328 HA GLU 43 HA GLU 43 -3.074 -10.655 -3.231 329 HB2 GLU 43 HB2 GLU 43 -1.289 -10.690 -1.461 330 HB3 GLU 43 HB3 GLU 43 -2.326 -9.705 -0.423 331 HG2 GLU 43 HG2 GLU 43 -4.070 -11.573 -0.595 332 HG3 GLU 43 HG3 GLU 43 -2.821 -12.547 -1.369 333 H GLN 44 H GLN 44 -5.245 -10.757 -3.425 334 HA GLN 44 HA GLN 44 -6.964 -9.139 -1.631 335 HB2 GLN 44 HB2 GLN 44 -8.809 -9.664 -3.285 336 HB3 GLN 44 HB3 GLN 44 -7.518 -8.647 -3.911 337 HG2 GLN 44 HG2 GLN 44 -6.571 -10.527 -5.151 338 HG3 GLN 44 HG3 GLN 44 -7.752 -11.629 -4.446 339 HE21 GLN 44 HE21 GLN 44 -7.263 -11.018 -7.279 340 HE22 GLN 44 HE22 GLN 44 -8.768 -10.462 -7.904 341 H ALA 45 H ALA 45 -7.145 -10.349 0.196 342 HA ALA 45 HA ALA 45 -8.066 -13.165 0.025 343 HB1 ALA 45 HB1 ALA 45 -7.463 -13.341 2.398 344 HB2 ALA 45 HB2 ALA 45 -7.056 -11.625 2.444 345 HB3 ALA 45 HB3 ALA 45 -6.094 -12.731 1.464 346 H GLY 46 H GLY 46 -8.800 -10.196 1.891 347 HA2 GLY 46 HA2 GLY 46 -11.436 -9.807 1.237 348 HA3 GLY 46 HA3 GLY 46 -11.509 -10.988 2.542 349 H ALA 47 H ALA 47 -10.959 -10.369 4.644 350 HA ALA 47 HA ALA 47 -11.069 -7.627 5.432 351 HB1 ALA 47 HB1 ALA 47 -11.802 -9.464 6.911 352 HB2 ALA 47 HB2 ALA 47 -10.559 -8.491 7.696 353 HB3 ALA 47 HB3 ALA 47 -10.145 -10.065 7.010 354 H ARG 48 H ARG 48 -8.419 -9.977 5.098 355 HA ARG 48 HA ARG 48 -6.355 -7.957 5.542 356 HB2 ARG 48 HB2 ARG 48 -6.097 -10.251 6.519 357 HB3 ARG 48 HB3 ARG 48 -5.999 -10.907 4.886 358 HG2 ARG 48 HG2 ARG 48 -3.976 -9.368 4.525 359 HG3 ARG 48 HG3 ARG 48 -4.036 -9.034 6.262 360 HD2 ARG 48 HD2 ARG 48 -2.407 -10.764 5.947 361 HD3 ARG 48 HD3 ARG 48 -3.834 -11.548 6.641 362 HE ARG 48 HE ARG 48 -3.342 -11.549 3.731 363 HH11 ARG 48 HH11 ARG 48 -3.904 -13.388 6.611 364 HH12 ARG 48 HH12 ARG 48 -3.953 -14.885 5.751 365 HH21 ARG 48 HH21 ARG 48 -3.426 -13.441 2.672 366 HH22 ARG 48 HH22 ARG 48 -3.690 -14.915 3.541 367 H GLN 49 H GLN 49 -5.789 -6.712 3.867 368 HA GLN 49 HA GLN 49 -5.332 -7.952 1.200 369 HB2 GLN 49 HB2 GLN 49 -5.750 -4.997 1.867 370 HB3 GLN 49 HB3 GLN 49 -5.491 -5.666 0.256 371 HG2 GLN 49 HG2 GLN 49 -7.895 -6.179 2.037 372 HG3 GLN 49 HG3 GLN 49 -7.841 -5.086 0.659 373 HE21 GLN 49 HE21 GLN 49 -8.229 -8.348 1.662 374 HE22 GLN 49 HE22 GLN 49 -8.518 -9.023 0.101 375 H VAL 50 H VAL 50 -3.201 -7.911 0.430 376 HA VAL 50 HA VAL 50 -1.213 -6.400 2.048 377 HB VAL 50 HB VAL 50 -0.789 -9.220 0.956 378 HG11 VAL 50 HG11 VAL 50 1.371 -9.142 2.196 379 HG12 VAL 50 HG12 VAL 50 1.062 -7.453 2.608 380 HG13 VAL 50 HG13 VAL 50 1.296 -7.920 0.924 381 HG21 VAL 50 HG21 VAL 50 -1.127 -8.279 3.838 382 HG22 VAL 50 HG22 VAL 50 -0.710 -9.921 3.343 383 HG23 VAL 50 HG23 VAL 50 -2.283 -9.247 2.918 384 H LEU 51 H LEU 51 -0.583 -4.782 0.785 385 HA LEU 51 HA LEU 51 0.405 -5.279 -1.956 386 HB2 LEU 51 HB2 LEU 51 -1.056 -3.390 -1.870 387 HB3 LEU 51 HB3 LEU 51 -0.310 -2.750 -0.437 388 HG LEU 51 HG LEU 51 0.032 -1.509 -2.722 389 HD11 LEU 51 HD11 LEU 51 1.208 -0.852 -0.690 390 HD12 LEU 51 HD12 LEU 51 2.242 -0.689 -2.103 391 HD13 LEU 51 HD13 LEU 51 2.467 -2.048 -0.999 392 HD21 LEU 51 HD21 LEU 51 2.201 -3.599 -3.093 393 HD22 LEU 51 HD22 LEU 51 1.876 -2.193 -4.115 394 HD23 LEU 51 HD23 LEU 51 0.710 -3.505 -4.026 395 H ARG 52 H ARG 52 2.525 -5.663 -2.218 396 HA ARG 52 HA ARG 52 4.460 -4.728 -0.159 397 HB2 ARG 52 HB2 ARG 52 4.999 -7.186 -1.873 398 HB3 ARG 52 HB3 ARG 52 5.686 -6.743 -0.310 399 HG2 ARG 52 HG2 ARG 52 3.415 -7.216 0.708 400 HG3 ARG 52 HG3 ARG 52 2.910 -7.828 -0.866 401 HD2 ARG 52 HD2 ARG 52 3.512 -9.774 0.290 402 HD3 ARG 52 HD3 ARG 52 4.960 -9.433 -0.665 403 HE ARG 52 HE ARG 52 4.646 -8.792 2.217 404 HH11 ARG 52 HH11 ARG 52 6.725 -9.744 -0.380 405 HH12 ARG 52 HH12 ARG 52 8.070 -9.996 0.674 406 HH21 ARG 52 HH21 ARG 52 6.371 -9.131 3.513 407 HH22 ARG 52 HH22 ARG 52 7.876 -9.650 2.830 408 H VAL 53 H VAL 53 5.434 -2.929 -1.141 409 HA VAL 53 HA VAL 53 6.436 -3.247 -3.920 410 HB VAL 53 HB VAL 53 6.330 -0.666 -2.287 411 HG11 VAL 53 HG11 VAL 53 6.976 -1.116 -5.238 412 HG12 VAL 53 HG12 VAL 53 8.127 -0.649 -3.985 413 HG13 VAL 53 HG13 VAL 53 6.836 0.460 -4.446 414 HG21 VAL 53 HG21 VAL 53 4.049 -1.434 -2.831 415 HG22 VAL 53 HG22 VAL 53 4.484 -1.577 -4.535 416 HG23 VAL 53 HG23 VAL 53 4.457 0.010 -3.760 417 H GLN 54 H GLN 54 8.389 -4.130 -3.960 418 HA GLN 54 HA GLN 54 10.348 -3.824 -1.829 419 HB2 GLN 54 HB2 GLN 54 10.480 -5.322 -4.486 420 HB3 GLN 54 HB3 GLN 54 11.663 -5.449 -3.181 421 HG2 GLN 54 HG2 GLN 54 9.971 -6.396 -1.693 422 HG3 GLN 54 HG3 GLN 54 8.730 -6.196 -2.926 423 HE21 GLN 54 HE21 GLN 54 9.798 -8.612 -1.500 424 HE22 GLN 54 HE22 GLN 54 10.195 -9.719 -2.766 425 H GLY 55 H GLY 55 12.450 -2.873 -2.082 426 HA2 GLY 55 HA2 GLY 55 13.959 -1.264 -2.809 427 HA3 GLY 55 HA3 GLY 55 13.162 -1.255 -4.377 428 H ALA 56 H ALA 56 11.517 -0.727 -1.344 429 HA ALA 56 HA ALA 56 10.303 1.745 -2.102 430 HB1 ALA 56 HB1 ALA 56 9.183 0.078 -0.665 431 HB2 ALA 56 HB2 ALA 56 9.299 1.635 0.154 432 HB3 ALA 56 HB3 ALA 56 10.398 0.323 0.595 433 H ARG 57 H ARG 57 11.476 3.684 -2.129 434 HA ARG 57 HA ARG 57 12.956 4.447 0.299 435 HB2 ARG 57 HB2 ARG 57 14.686 3.522 -1.203 436 HB3 ARG 57 HB3 ARG 57 14.198 4.633 -2.478 437 HG2 ARG 57 HG2 ARG 57 14.950 6.555 -1.123 438 HG3 ARG 57 HG3 ARG 57 15.382 5.472 0.204 439 HD2 ARG 57 HD2 ARG 57 16.645 5.438 -2.567 440 HD3 ARG 57 HD3 ARG 57 17.352 6.197 -1.137 441 HE ARG 57 HE ARG 57 17.037 3.726 -0.249 442 HH11 ARG 57 HH11 ARG 57 18.329 4.740 -3.274 443 HH12 ARG 57 HH12 ARG 57 19.389 3.380 -3.371 444 HH21 ARG 57 HH21 ARG 57 18.390 2.016 -0.419 445 HH22 ARG 57 HH22 ARG 57 19.426 1.880 -1.793 446 H SER 58 H SER 58 13.077 6.297 -2.746 447 HA SER 58 HA SER 58 12.335 8.645 -1.206 448 HB2 SER 58 HB2 SER 58 13.242 8.413 -4.108 449 HB3 SER 58 HB3 SER 58 13.098 9.914 -3.190 450 HG SER 58 HG SER 58 15.214 9.298 -3.071 451 H GLY 59 H GLY 59 11.292 7.386 -4.416 452 HA2 GLY 59 HA2 GLY 59 8.944 9.053 -4.539 453 HA3 GLY 59 HA3 GLY 59 9.390 7.784 -5.661 454 H ASP 60 H ASP 60 9.472 6.224 -2.807 455 HA ASP 60 HA ASP 60 6.947 4.898 -3.229 456 HB2 ASP 60 HB2 ASP 60 9.106 3.731 -2.577 457 HB3 ASP 60 HB3 ASP 60 8.963 4.458 -0.980 458 H ALA 61 H ALA 61 8.261 7.192 -0.881 459 HA ALA 61 HA ALA 61 6.302 6.853 1.157 460 HB1 ALA 61 HB1 ALA 61 7.236 8.902 2.139 461 HB2 ALA 61 HB2 ALA 61 8.123 9.241 0.649 462 HB3 ALA 61 HB3 ALA 61 8.526 7.819 1.614 463 H GLY 62 H GLY 62 4.207 7.214 0.815 464 HA2 GLY 62 HA2 GLY 62 3.082 9.697 0.161 465 HA3 GLY 62 HA3 GLY 62 3.147 8.725 -1.304 466 H GLU 63 H GLU 63 0.779 9.163 -1.106 467 HA GLU 63 HA GLU 63 -0.748 7.775 0.941 468 HB2 GLU 63 HB2 GLU 63 -1.614 9.381 -1.501 469 HB3 GLU 63 HB3 GLU 63 -2.734 8.663 -0.354 470 HG2 GLU 63 HG2 GLU 63 -2.538 10.999 0.132 471 HG3 GLU 63 HG3 GLU 63 -1.783 10.094 1.436 472 H TYR 64 H TYR 64 -1.262 5.670 0.760 473 HA TYR 64 HA TYR 64 -1.764 4.429 -1.889 474 HB2 TYR 64 HB2 TYR 64 -0.989 3.170 0.776 475 HB3 TYR 64 HB3 TYR 64 -1.480 2.234 -0.629 476 HD1 TYR 64 HD2 TYR 64 1.128 4.719 0.510 477 HD2 TYR 64 HD1 TYR 64 0.142 1.575 -2.230 478 HE1 TYR 64 HE2 TYR 64 3.452 4.644 -0.263 479 HE2 TYR 64 HE1 TYR 64 2.472 1.522 -2.999 480 HH TYR 64 HH TYR 64 4.987 2.943 -1.338 481 H LEU 65 H LEU 65 -3.940 4.351 -2.351 482 HA LEU 65 HA LEU 65 -5.878 4.379 -0.137 483 HB2 LEU 65 HB2 LEU 65 -6.148 6.036 -1.941 484 HB3 LEU 65 HB3 LEU 65 -6.308 4.744 -3.119 485 HG LEU 65 HG LEU 65 -8.424 4.002 -1.999 486 HD11 LEU 65 HD11 LEU 65 -9.518 5.448 -0.340 487 HD12 LEU 65 HD12 LEU 65 -8.086 6.474 -0.268 488 HD13 LEU 65 HD13 LEU 65 -8.000 4.796 0.277 489 HD21 LEU 65 HD21 LEU 65 -8.525 5.513 -3.938 490 HD22 LEU 65 HD22 LEU 65 -8.436 6.914 -2.868 491 HD23 LEU 65 HD23 LEU 65 -9.838 5.842 -2.805 492 H CYS 66 H CYS 66 -6.020 2.336 0.647 493 HA CYS 66 HA CYS 66 -6.618 0.005 -0.983 494 HB2 CYS 66 HB2 CYS 66 -5.341 -0.107 1.185 495 HB3 CYS 66 HB3 CYS 66 -6.804 0.362 2.041 496 HG CYS 66 HG CYS 66 -6.463 -2.505 0.199 497 H ASP 67 H ASP 67 -8.506 0.474 -2.100 498 HA ASP 67 HA ASP 67 -10.789 1.736 -0.777 499 HB2 ASP 67 HB2 ASP 67 -10.072 2.645 -2.914 500 HB3 ASP 67 HB3 ASP 67 -10.208 1.070 -3.688 501 H ALA 68 H ALA 68 -11.690 0.108 0.532 502 HA ALA 68 HA ALA 68 -12.585 -2.428 -0.600 503 HB1 ALA 68 HB1 ALA 68 -13.059 -1.284 2.173 504 HB2 ALA 68 HB2 ALA 68 -11.703 -2.310 1.712 505 HB3 ALA 68 HB3 ALA 68 -13.346 -2.951 1.665 506 HA PRO 69 HA PRO 69 -16.950 -1.585 -1.634 507 HB2 PRO 69 HB2 PRO 69 -17.488 -3.679 0.496 508 HB3 PRO 69 HB3 PRO 69 -18.237 -3.488 -1.099 509 HG2 PRO 69 HG2 PRO 69 -16.321 -5.306 -0.756 510 HG3 PRO 69 HG3 PRO 69 -16.339 -4.310 -2.230 511 HD2 PRO 69 HD2 PRO 69 -14.548 -4.116 0.171 512 HD3 PRO 69 HD3 PRO 69 -14.192 -3.771 -1.535 513 H GLN 70 H GLN 70 -17.304 0.463 -0.887 514 HA GLN 70 HA GLN 70 -18.159 2.189 0.262 515 HB2 GLN 70 HB2 GLN 70 -19.563 0.069 1.939 516 HB3 GLN 70 HB3 GLN 70 -19.938 1.792 1.967 517 HG2 GLN 70 HG2 GLN 70 -20.461 1.590 -0.522 518 HG3 GLN 70 HG3 GLN 70 -20.349 -0.156 -0.327 519 HE21 GLN 70 HE21 GLN 70 -21.960 -1.221 0.937 520 HE22 GLN 70 HE22 GLN 70 -23.474 -0.470 1.289 521 H ASP 71 H ASP 71 -15.642 0.677 1.396 522 HA ASP 71 HA ASP 71 -15.282 2.531 3.632 523 HB2 ASP 71 HB2 ASP 71 -16.158 0.419 4.668 524 HB3 ASP 71 HB3 ASP 71 -14.790 -0.461 3.994 525 H SER 72 H SER 72 -13.913 3.527 2.021 526 HA SER 72 HA SER 72 -11.480 2.229 1.138 527 HB2 SER 72 HB2 SER 72 -10.900 4.442 0.181 528 HB3 SER 72 HB3 SER 72 -12.546 3.975 -0.246 529 HG SER 72 HG SER 72 -13.346 5.490 1.052 530 H ARG 73 H ARG 73 -9.330 2.754 1.822 531 HA ARG 73 HA ARG 73 -9.034 4.137 4.421 532 HB2 ARG 73 HB2 ARG 73 -9.167 1.454 4.426 533 HB3 ARG 73 HB3 ARG 73 -7.491 1.571 3.921 534 HG2 ARG 73 HG2 ARG 73 -7.144 1.470 6.188 535 HG3 ARG 73 HG3 ARG 73 -7.354 3.215 6.052 536 HD2 ARG 73 HD2 ARG 73 -9.391 1.163 6.980 537 HD3 ARG 73 HD3 ARG 73 -8.669 2.466 7.921 538 HE ARG 73 HE ARG 73 -9.985 3.809 5.978 539 HH11 ARG 73 HH11 ARG 73 -11.035 1.407 8.236 540 HH12 ARG 73 HH12 ARG 73 -12.688 1.891 8.132 541 HH21 ARG 73 HH21 ARG 73 -12.111 4.399 5.885 542 HH22 ARG 73 HH22 ARG 73 -13.280 3.563 6.843 543 H ILE 74 H ILE 74 -7.363 5.581 4.379 544 HA ILE 74 HA ILE 74 -5.448 5.503 2.136 545 HB ILE 74 HB ILE 74 -5.945 7.743 4.163 546 HG12 ILE 74 HG12 ILE 74 -6.747 9.002 2.025 547 HG13 ILE 74 HG13 ILE 74 -6.813 7.427 1.246 548 HG21 ILE 74 HG21 ILE 74 -4.074 7.736 1.762 549 HG22 ILE 74 HG22 ILE 74 -3.598 7.768 3.458 550 HG23 ILE 74 HG23 ILE 74 -4.445 9.147 2.760 551 HD11 ILE 74 HD11 ILE 74 -8.393 8.261 3.678 552 HD12 ILE 74 HD12 ILE 74 -8.505 6.706 2.848 553 HD13 ILE 74 HD13 ILE 74 -8.993 8.185 2.022 554 H PHE 75 H PHE 75 -3.381 4.930 2.398 555 HA PHE 75 HA PHE 75 -2.233 4.516 5.089 556 HB2 PHE 75 HB2 PHE 75 -1.742 3.116 2.435 557 HB3 PHE 75 HB3 PHE 75 -0.573 3.006 3.747 558 HD1 PHE 75 HD2 PHE 75 -4.288 2.576 3.207 559 HD2 PHE 75 HD1 PHE 75 -0.752 1.165 5.161 560 HE1 PHE 75 HE2 PHE 75 -5.574 0.752 4.238 561 HE2 PHE 75 HE1 PHE 75 -2.051 -0.652 6.182 562 HZ PHE 75 HZ PHE 75 -4.454 -0.853 5.725 563 H LEU 76 H LEU 76 -1.234 6.424 5.548 564 HA LEU 76 HA LEU 76 0.446 7.812 3.616 565 HB2 LEU 76 HB2 LEU 76 0.185 8.239 6.624 566 HB3 LEU 76 HB3 LEU 76 0.966 9.332 5.490 567 HG LEU 76 HG LEU 76 -2.012 8.670 5.514 568 HD11 LEU 76 HD11 LEU 76 -0.616 11.200 6.442 569 HD12 LEU 76 HD12 LEU 76 -1.387 9.996 7.478 570 HD13 LEU 76 HD13 LEU 76 -2.363 10.944 6.359 571 HD21 LEU 76 HD21 LEU 76 -0.492 10.704 3.843 572 HD22 LEU 76 HD22 LEU 76 -2.246 10.506 3.889 573 HD23 LEU 76 HD23 LEU 76 -1.235 9.213 3.256 574 H VAL 77 H VAL 77 1.987 6.303 3.029 575 HA VAL 77 HA VAL 77 3.618 4.908 4.991 576 HB VAL 77 HB VAL 77 3.742 5.002 1.942 577 HG11 VAL 77 HG11 VAL 77 5.449 3.300 3.815 578 HG12 VAL 77 HG12 VAL 77 6.028 4.608 2.781 579 HG13 VAL 77 HG13 VAL 77 5.381 3.137 2.057 580 HG21 VAL 77 HG21 VAL 77 2.892 2.679 2.092 581 HG22 VAL 77 HG22 VAL 77 1.782 3.817 2.858 582 HG23 VAL 77 HG23 VAL 77 2.834 2.806 3.852 583 H SER 78 H SER 78 5.171 5.947 6.026 584 HA SER 78 HA SER 78 6.745 8.088 4.700 585 HB2 SER 78 HB2 SER 78 5.710 8.617 6.918 586 HB3 SER 78 HB3 SER 78 6.650 7.320 7.659 587 HG SER 78 HG SER 78 8.370 8.550 7.613 588 H VAL 79 H VAL 79 8.453 7.195 3.627 589 HA VAL 79 HA VAL 79 9.831 4.849 4.740 590 HB VAL 79 HB VAL 79 10.399 6.208 2.071 591 HG11 VAL 79 HG11 VAL 79 12.212 4.757 2.876 592 HG12 VAL 79 HG12 VAL 79 11.417 4.031 1.481 593 HG13 VAL 79 HG13 VAL 79 11.074 3.422 3.101 594 HG21 VAL 79 HG21 VAL 79 8.039 5.494 2.084 595 HG22 VAL 79 HG22 VAL 79 8.512 3.872 2.594 596 HG23 VAL 79 HG23 VAL 79 8.991 4.471 1.005 597 H GLU 80 H GLU 80 11.350 5.295 6.165 598 HA GLU 80 HA GLU 80 13.507 7.184 5.733 599 HB2 GLU 80 HB2 GLU 80 13.077 8.514 7.771 600 HB3 GLU 80 HB3 GLU 80 11.711 8.657 6.665 601 HG2 GLU 80 HG2 GLU 80 10.448 6.998 7.992 602 HG3 GLU 80 HG3 GLU 80 11.813 6.835 9.095 603 H GLU 81 H GLU 81 14.739 7.252 8.088 604 HA GLU 81 HA GLU 81 15.836 6.228 9.781 605 HB2 GLU 81 HB2 GLU 81 13.293 5.718 10.386 606 HB3 GLU 81 HB3 GLU 81 13.706 4.068 9.970 607 HG2 GLU 81 HG2 GLU 81 13.909 4.192 12.318 608 HG3 GLU 81 HG3 GLU 81 15.567 4.211 11.707 609 HA PRO 82 HA PRO 82 17.651 3.282 6.625 610 HB2 PRO 82 HB2 PRO 82 20.252 4.279 7.715 611 HB3 PRO 82 HB3 PRO 82 19.676 4.232 6.045 612 HG2 PRO 82 HG2 PRO 82 19.825 6.559 7.374 613 HG3 PRO 82 HG3 PRO 82 18.475 6.234 6.263 614 HD2 PRO 82 HD2 PRO 82 18.535 6.029 9.286 615 HD3 PRO 82 HD3 PRO 82 17.310 6.784 8.236 Start of MODEL 14 1 H MET 1 H1 MET 1 -6.179 7.627 9.842 2 HA MET 1 HA MET 1 -6.119 6.472 7.120 3 HB2 MET 1 HB2 MET 1 -4.421 8.665 8.380 4 HB3 MET 1 HB3 MET 1 -4.100 7.934 6.811 5 HG2 MET 1 HG2 MET 1 -6.215 8.798 5.945 6 HG3 MET 1 HG3 MET 1 -6.605 9.477 7.528 7 HE1 MET 1 HE1 MET 1 -5.860 12.684 5.363 8 HE2 MET 1 HE2 MET 1 -7.046 11.861 6.377 9 HE3 MET 1 HE3 MET 1 -6.631 11.204 4.792 10 H THR 2 H THR 2 -4.910 4.693 6.930 11 HA THR 2 HA THR 2 -3.885 3.383 9.304 12 HB THR 2 HB THR 2 -3.842 2.251 6.469 13 HG1 THR 2 HG1 THR 2 -6.142 1.659 7.777 14 HG21 THR 2 HG21 THR 2 -2.907 0.749 8.173 15 HG22 THR 2 HG22 THR 2 -4.464 0.113 7.609 16 HG23 THR 2 HG23 THR 2 -4.355 0.936 9.170 17 H ARG 3 H ARG 3 -1.878 4.333 9.884 18 HA ARG 3 HA ARG 3 0.094 5.133 7.896 19 HB2 ARG 3 HB2 ARG 3 -0.088 5.418 10.908 20 HB3 ARG 3 HB3 ARG 3 1.386 5.854 10.047 21 HG2 ARG 3 HG2 ARG 3 0.118 7.485 8.702 22 HG3 ARG 3 HG3 ARG 3 -1.357 7.069 9.578 23 HD2 ARG 3 HD2 ARG 3 -0.626 8.107 11.556 24 HD3 ARG 3 HD3 ARG 3 1.078 7.999 11.110 25 HE ARG 3 HE ARG 3 0.584 9.730 9.392 26 HH11 ARG 3 HH11 ARG 3 -1.503 9.581 12.144 27 HH12 ARG 3 HH12 ARG 3 -1.841 11.273 12.092 28 HH21 ARG 3 HH21 ARG 3 0.153 11.866 9.366 29 HH22 ARG 3 HH22 ARG 3 -0.908 12.555 10.548 30 H VAL 4 H VAL 4 2.045 4.262 7.431 31 HA VAL 4 HA VAL 4 3.344 2.256 9.171 32 HB VAL 4 HB VAL 4 2.916 1.869 6.157 33 HG11 VAL 4 HG11 VAL 4 4.270 -0.209 6.332 34 HG12 VAL 4 HG12 VAL 4 4.648 0.178 8.012 35 HG13 VAL 4 HG13 VAL 4 5.232 1.222 6.714 36 HG21 VAL 4 HG21 VAL 4 0.978 1.110 7.473 37 HG22 VAL 4 HG22 VAL 4 2.030 0.121 8.488 38 HG23 VAL 4 HG23 VAL 4 1.827 -0.280 6.781 39 H ARG 5 H ARG 5 5.534 2.695 9.394 40 HA ARG 5 HA ARG 5 6.882 4.501 7.453 41 HB2 ARG 5 HB2 ARG 5 7.001 5.258 9.810 42 HB3 ARG 5 HB3 ARG 5 7.717 3.721 10.285 43 HG2 ARG 5 HG2 ARG 5 9.698 4.226 8.854 44 HG3 ARG 5 HG3 ARG 5 8.985 5.786 8.440 45 HD2 ARG 5 HD2 ARG 5 9.756 4.902 11.244 46 HD3 ARG 5 HD3 ARG 5 10.733 5.943 10.202 47 HE ARG 5 HE ARG 5 8.148 7.046 10.503 48 HH11 ARG 5 HH11 ARG 5 11.050 6.594 12.344 49 HH12 ARG 5 HH12 ARG 5 10.737 7.972 13.337 50 HH21 ARG 5 HH21 ARG 5 7.806 8.795 11.778 51 HH22 ARG 5 HH22 ARG 5 8.945 9.212 13.007 52 H SER 6 H SER 6 8.768 3.840 6.390 53 HA SER 6 HA SER 6 9.885 1.148 6.929 54 HB2 SER 6 HB2 SER 6 8.368 0.929 4.971 55 HB3 SER 6 HB3 SER 6 9.238 2.221 4.143 56 HG SER 6 HG SER 6 9.787 -0.157 3.771 57 H THR 7 H THR 7 12.077 0.865 5.970 58 HA THR 7 HA THR 7 13.652 3.363 6.144 59 HB THR 7 HB THR 7 15.631 1.672 6.465 60 HG1 THR 7 HG1 THR 7 14.880 -0.302 6.132 61 HG21 THR 7 HG21 THR 7 15.227 1.530 8.888 62 HG22 THR 7 HG22 THR 7 13.538 1.983 8.643 63 HG23 THR 7 HG23 THR 7 14.829 3.129 8.253 64 HA PRO 8 HA PRO 8 14.745 3.298 1.865 65 HB2 PRO 8 HB2 PRO 8 17.187 4.528 1.890 66 HB3 PRO 8 HB3 PRO 8 15.685 5.369 2.288 67 HG2 PRO 8 HG2 PRO 8 17.678 4.141 4.185 68 HG3 PRO 8 HG3 PRO 8 16.997 5.785 4.202 69 HD2 PRO 8 HD2 PRO 8 15.967 3.875 5.772 70 HD3 PRO 8 HD3 PRO 8 14.898 5.048 4.967 71 H GLY 9 H GLY 9 15.010 1.252 1.012 72 HA2 GLY 9 HA2 GLY 9 16.500 -0.105 -0.287 73 HA3 GLY 9 HA3 GLY 9 17.745 0.120 0.927 74 H GLY 10 H GLY 10 14.340 -0.907 1.211 75 HA2 GLY 10 HA2 GLY 10 15.155 -3.652 1.938 76 HA3 GLY 10 HA3 GLY 10 14.207 -2.728 3.100 77 H ASP 11 H ASP 11 12.068 -3.030 2.991 78 HA ASP 11 HA ASP 11 10.689 -3.425 0.439 79 HB2 ASP 11 HB2 ASP 11 9.461 -5.427 1.260 80 HB3 ASP 11 HB3 ASP 11 11.190 -5.734 1.149 81 H LEU 12 H LEU 12 8.323 -3.260 0.685 82 HA LEU 12 HA LEU 12 7.402 -1.875 3.141 83 HB2 LEU 12 HB2 LEU 12 7.707 -0.211 1.349 84 HB3 LEU 12 HB3 LEU 12 6.726 -1.174 0.254 85 HG LEU 12 HG LEU 12 4.739 -0.805 1.728 86 HD11 LEU 12 HD11 LEU 12 4.806 0.873 3.521 87 HD12 LEU 12 HD12 LEU 12 6.552 1.036 3.317 88 HD13 LEU 12 HD13 LEU 12 5.865 -0.492 3.871 89 HD21 LEU 12 HD21 LEU 12 5.107 0.653 -0.210 90 HD22 LEU 12 HD22 LEU 12 6.061 1.759 0.783 91 HD23 LEU 12 HD23 LEU 12 4.342 1.534 1.112 92 H GLU 13 H GLU 13 6.197 -3.482 4.061 93 HA GLU 13 HA GLU 13 4.227 -4.955 2.396 94 HB2 GLU 13 HB2 GLU 13 5.918 -6.395 3.507 95 HB3 GLU 13 HB3 GLU 13 5.463 -5.741 5.076 96 HG2 GLU 13 HG2 GLU 13 3.218 -6.723 4.855 97 HG3 GLU 13 HG3 GLU 13 3.630 -7.331 3.254 98 H LEU 14 H LEU 14 2.390 -3.748 2.524 99 HA LEU 14 HA LEU 14 1.408 -2.674 5.062 100 HB2 LEU 14 HB2 LEU 14 0.112 -2.631 2.297 101 HB3 LEU 14 HB3 LEU 14 -0.408 -1.712 3.704 102 HG LEU 14 HG LEU 14 2.163 -1.306 2.118 103 HD11 LEU 14 HD11 LEU 14 1.233 0.885 1.550 104 HD12 LEU 14 HD12 LEU 14 -0.246 0.506 2.436 105 HD13 LEU 14 HD13 LEU 14 0.185 -0.420 0.997 106 HD21 LEU 14 HD21 LEU 14 1.252 0.166 4.614 107 HD22 LEU 14 HD22 LEU 14 2.628 0.610 3.600 108 HD23 LEU 14 HD23 LEU 14 2.643 -0.914 4.479 109 H VAL 15 H VAL 15 0.748 -4.391 6.337 110 HA VAL 15 HA VAL 15 -1.100 -6.421 5.284 111 HB VAL 15 HB VAL 15 -0.017 -6.068 8.124 112 HG11 VAL 15 HG11 VAL 15 -1.592 -8.392 6.922 113 HG12 VAL 15 HG12 VAL 15 -2.179 -7.263 8.146 114 HG13 VAL 15 HG13 VAL 15 -0.867 -8.376 8.533 115 HG21 VAL 15 HG21 VAL 15 1.464 -7.992 7.589 116 HG22 VAL 15 HG22 VAL 15 1.784 -6.617 6.531 117 HG23 VAL 15 HG23 VAL 15 0.859 -7.995 5.929 118 H VAL 16 H VAL 16 -3.234 -6.125 5.368 119 HA VAL 16 HA VAL 16 -4.298 -3.715 6.739 120 HB VAL 16 HB VAL 16 -5.386 -5.012 4.199 121 HG11 VAL 16 HG11 VAL 16 -7.017 -3.618 5.403 122 HG12 VAL 16 HG12 VAL 16 -6.563 -2.872 3.869 123 HG13 VAL 16 HG13 VAL 16 -5.891 -2.257 5.382 124 HG21 VAL 16 HG21 VAL 16 -4.269 -3.218 2.909 125 HG22 VAL 16 HG22 VAL 16 -3.106 -4.271 3.717 126 HG23 VAL 16 HG23 VAL 16 -3.456 -2.673 4.378 127 H HIS 17 H HIS 17 -5.922 -4.036 8.179 128 HA HIS 17 HA HIS 17 -7.923 -6.150 7.668 129 HB2 HIS 17 HB2 HIS 17 -6.699 -5.482 10.382 130 HB3 HIS 17 HB3 HIS 17 -8.203 -6.380 10.199 131 HD1 HIS 17 HD1 HIS 17 -4.624 -6.872 10.428 132 HD2 HIS 17 HD2 HIS 17 -7.798 -8.894 8.683 133 HE1 HIS 17 HE1 HIS 17 -3.770 -9.177 9.966 134 HE2 HIS 17 HE2 HIS 17 -5.780 -10.437 9.154 135 H LEU 18 H LEU 18 -8.226 -3.698 6.628 136 HA LEU 18 HA LEU 18 -9.768 -1.888 8.077 137 HB2 LEU 18 HB2 LEU 18 -10.818 -1.287 5.828 138 HB3 LEU 18 HB3 LEU 18 -9.088 -1.149 5.979 139 HG LEU 18 HG LEU 18 -8.788 -3.239 4.666 140 HD11 LEU 18 HD11 LEU 18 -10.839 -4.447 5.112 141 HD12 LEU 18 HD12 LEU 18 -10.590 -4.254 3.379 142 HD13 LEU 18 HD13 LEU 18 -11.772 -3.244 4.217 143 HD21 LEU 18 HD21 LEU 18 -8.696 -1.071 3.549 144 HD22 LEU 18 HD22 LEU 18 -10.434 -1.128 3.243 145 HD23 LEU 18 HD23 LEU 18 -9.358 -2.298 2.472 146 H SER 19 H SER 19 -12.095 -1.448 7.925 147 HA SER 19 HA SER 19 -13.651 -3.705 8.833 148 HB2 SER 19 HB2 SER 19 -14.529 -0.818 8.404 149 HB3 SER 19 HB3 SER 19 -15.384 -2.049 9.351 150 HG SER 19 HG SER 19 -13.320 -0.445 10.063 151 H GLY 20 H GLY 20 -13.019 -2.593 5.730 152 HA2 GLY 20 HA2 GLY 20 -15.544 -3.092 4.435 153 HA3 GLY 20 HA3 GLY 20 -13.971 -2.974 3.664 154 HA PRO 21 HA PRO 21 -15.617 -7.446 3.697 155 HB2 PRO 21 HB2 PRO 21 -15.822 -7.890 1.010 156 HB3 PRO 21 HB3 PRO 21 -17.091 -7.073 1.936 157 HG2 PRO 21 HG2 PRO 21 -14.916 -5.856 0.232 158 HG3 PRO 21 HG3 PRO 21 -16.645 -5.452 0.285 159 HD2 PRO 21 HD2 PRO 21 -14.753 -3.986 1.612 160 HD3 PRO 21 HD3 PRO 21 -16.414 -4.164 2.213 161 H GLY 22 H GLY 22 -13.084 -6.047 1.622 162 HA2 GLY 22 HA2 GLY 22 -10.788 -6.914 1.883 163 HA3 GLY 22 HA3 GLY 22 -11.467 -8.537 1.827 164 H GLY 23 H GLY 23 -10.965 -9.463 -0.065 165 HA2 GLY 23 HA2 GLY 23 -10.345 -7.852 -2.424 166 HA3 GLY 23 HA3 GLY 23 -9.958 -9.533 -2.172 167 HA PRO 24 HA PRO 24 -9.851 -8.625 -4.682 168 HB2 PRO 24 HB2 PRO 24 -10.688 -7.814 -7.131 169 HB3 PRO 24 HB3 PRO 24 -10.569 -9.527 -6.707 170 HG2 PRO 24 HG2 PRO 24 -13.013 -7.769 -6.819 171 HG3 PRO 24 HG3 PRO 24 -12.821 -9.451 -7.351 172 HD2 PRO 24 HD2 PRO 24 -13.959 -8.693 -4.920 173 HD3 PRO 24 HD3 PRO 24 -13.245 -10.289 -5.238 174 H VAL 25 H VAL 25 -9.179 -6.816 -3.594 175 HA VAL 25 HA VAL 25 -10.815 -4.414 -3.455 176 HB VAL 25 HB VAL 25 -9.250 -5.634 -1.578 177 HG11 VAL 25 HG11 VAL 25 -7.463 -3.371 -2.532 178 HG12 VAL 25 HG12 VAL 25 -7.112 -5.094 -2.677 179 HG13 VAL 25 HG13 VAL 25 -7.226 -4.352 -1.081 180 HG21 VAL 25 HG21 VAL 25 -9.897 -2.668 -1.612 181 HG22 VAL 25 HG22 VAL 25 -9.468 -3.610 -0.181 182 HG23 VAL 25 HG23 VAL 25 -10.952 -3.977 -1.063 183 H ARG 26 H ARG 26 -9.890 -2.280 -3.873 184 HA ARG 26 HA ARG 26 -7.975 -2.113 -6.108 185 HB2 ARG 26 HB2 ARG 26 -9.829 -0.015 -4.883 186 HB3 ARG 26 HB3 ARG 26 -8.742 0.287 -6.236 187 HG2 ARG 26 HG2 ARG 26 -11.034 -1.699 -6.262 188 HG3 ARG 26 HG3 ARG 26 -11.104 -0.060 -6.914 189 HD2 ARG 26 HD2 ARG 26 -9.206 -0.683 -8.463 190 HD3 ARG 26 HD3 ARG 26 -9.363 -2.350 -7.891 191 HE ARG 26 HE ARG 26 -11.780 -1.119 -8.952 192 HH11 ARG 26 HH11 ARG 26 -9.142 -3.264 -9.569 193 HH12 ARG 26 HH12 ARG 26 -9.840 -3.865 -11.027 194 HH21 ARG 26 HH21 ARG 26 -12.645 -1.904 -10.817 195 HH22 ARG 26 HH22 ARG 26 -11.797 -3.107 -11.728 196 H TRP 27 H TRP 27 -6.126 -0.852 -5.963 197 HA TRP 27 HA TRP 27 -5.451 0.546 -3.443 198 HB2 TRP 27 HB2 TRP 27 -3.692 -1.365 -5.039 199 HB3 TRP 27 HB3 TRP 27 -2.985 -0.121 -4.014 200 HD1 TRP 27 HD1 TRP 27 -4.932 -3.428 -3.777 201 HE1 TRP 27 HE1 TRP 27 -4.737 -4.291 -1.362 202 HE3 TRP 27 HE3 TRP 27 -2.739 0.657 -1.616 203 HZ2 TRP 27 HZ2 TRP 27 -3.800 -3.373 1.121 204 HZ3 TRP 27 HZ3 TRP 27 -2.231 0.587 0.792 205 HH2 TRP 27 HH2 TRP 27 -2.754 -1.387 2.135 206 H TYR 28 H TYR 28 -4.360 2.521 -3.741 207 HA TYR 28 HA TYR 28 -3.727 3.387 -6.511 208 HB2 TYR 28 HB2 TYR 28 -5.312 5.035 -4.479 209 HB3 TYR 28 HB3 TYR 28 -4.731 5.635 -6.026 210 HD1 TYR 28 HD1 TYR 28 -5.796 4.883 -8.146 211 HD2 TYR 28 HD2 TYR 28 -7.312 3.580 -4.364 212 HE1 TYR 28 HE1 TYR 28 -7.864 4.146 -9.228 213 HE2 TYR 28 HE2 TYR 28 -9.381 2.833 -5.461 214 HH TYR 28 HH TYR 28 -10.663 3.293 -7.494 215 H LYS 29 H LYS 29 -1.666 4.083 -6.582 216 HA LYS 29 HA LYS 29 -0.544 5.590 -4.282 217 HB2 LYS 29 HB2 LYS 29 0.654 3.504 -4.428 218 HB3 LYS 29 HB3 LYS 29 0.851 3.649 -6.163 219 HG2 LYS 29 HG2 LYS 29 2.955 4.103 -4.953 220 HG3 LYS 29 HG3 LYS 29 2.413 5.507 -5.880 221 HD2 LYS 29 HD2 LYS 29 1.493 6.518 -3.792 222 HD3 LYS 29 HD3 LYS 29 2.057 5.118 -2.873 223 HE2 LYS 29 HE2 LYS 29 3.824 7.069 -4.396 224 HE3 LYS 29 HE3 LYS 29 3.596 7.029 -2.647 225 HZ1 LYS 29 HZ1 LYS 29 5.623 5.921 -3.341 226 HZ2 LYS 29 HZ2 LYS 29 4.735 4.826 -4.266 227 HZ3 LYS 29 HZ3 LYS 29 4.569 4.843 -2.585 228 H ASP 30 H ASP 30 0.141 7.583 -4.677 229 HA ASP 30 HA ASP 30 0.707 9.535 -5.633 230 HB2 ASP 30 HB2 ASP 30 2.478 8.090 -6.721 231 HB3 ASP 30 HB3 ASP 30 1.433 7.928 -8.124 232 H GLY 31 H GLY 31 -2.029 8.231 -6.018 233 HA2 GLY 31 HA2 GLY 31 -4.050 9.057 -6.798 234 HA3 GLY 31 HA3 GLY 31 -3.202 10.178 -7.848 235 H GLU 32 H GLU 32 -2.176 6.893 -8.043 236 HA GLU 32 HA GLU 32 -3.919 6.282 -10.355 237 HB2 GLU 32 HB2 GLU 32 -1.820 7.204 -11.267 238 HB3 GLU 32 HB3 GLU 32 -0.873 6.062 -10.326 239 HG2 GLU 32 HG2 GLU 32 -1.783 4.188 -11.613 240 HG3 GLU 32 HG3 GLU 32 -2.844 5.282 -12.502 241 H ARG 33 H ARG 33 -4.529 4.192 -10.479 242 HA ARG 33 HA ARG 33 -4.437 2.535 -8.243 243 HB2 ARG 33 HB2 ARG 33 -5.725 0.947 -9.478 244 HB3 ARG 33 HB3 ARG 33 -6.218 2.524 -10.057 245 HG2 ARG 33 HG2 ARG 33 -4.229 0.752 -11.501 246 HG3 ARG 33 HG3 ARG 33 -5.961 0.759 -11.850 247 HD2 ARG 33 HD2 ARG 33 -5.850 3.054 -12.617 248 HD3 ARG 33 HD3 ARG 33 -4.184 3.216 -12.049 249 HE ARG 33 HE ARG 33 -4.476 1.124 -13.979 250 HH11 ARG 33 HH11 ARG 33 -4.187 4.571 -13.742 251 HH12 ARG 33 HH12 ARG 33 -3.443 4.701 -15.292 252 HH21 ARG 33 HH21 ARG 33 -3.530 1.342 -15.939 253 HH22 ARG 33 HH22 ARG 33 -3.083 2.910 -16.517 254 H LEU 34 H LEU 34 -3.391 0.634 -7.726 255 HA LEU 34 HA LEU 34 -0.847 0.029 -9.028 256 HB2 LEU 34 HB2 LEU 34 -2.150 -1.038 -6.492 257 HB3 LEU 34 HB3 LEU 34 -0.595 -1.587 -7.095 258 HG LEU 34 HG LEU 34 -1.256 1.172 -6.027 259 HD11 LEU 34 HD11 LEU 34 0.419 0.725 -4.350 260 HD12 LEU 34 HD12 LEU 34 0.658 -0.894 -5.018 261 HD13 LEU 34 HD13 LEU 34 -0.894 -0.450 -4.304 262 HD21 LEU 34 HD21 LEU 34 1.091 1.803 -6.487 263 HD22 LEU 34 HD22 LEU 34 0.209 1.464 -7.971 264 HD23 LEU 34 HD23 LEU 34 1.332 0.265 -7.324 265 H ALA 35 H ALA 35 -0.498 -1.712 -10.292 266 HA ALA 35 HA ALA 35 -2.618 -3.738 -10.709 267 HB1 ALA 35 HB1 ALA 35 -1.847 -2.540 -12.728 268 HB2 ALA 35 HB2 ALA 35 -1.445 -4.255 -12.820 269 HB3 ALA 35 HB3 ALA 35 -0.191 -3.072 -12.430 270 H SER 36 H SER 36 -1.935 -6.009 -10.890 271 HA SER 36 HA SER 36 -0.156 -6.852 -8.807 272 HB2 SER 36 HB2 SER 36 -0.686 -9.182 -9.661 273 HB3 SER 36 HB3 SER 36 -2.109 -8.217 -9.277 274 HG SER 36 HG SER 36 -2.542 -9.089 -11.218 275 H GLN 37 H GLN 37 1.853 -6.059 -9.253 276 HA GLN 37 HA GLN 37 3.330 -6.984 -11.664 277 HB2 GLN 37 HB2 GLN 37 2.996 -4.519 -11.410 278 HB3 GLN 37 HB3 GLN 37 3.806 -4.575 -9.851 279 HG2 GLN 37 HG2 GLN 37 5.898 -5.277 -10.990 280 HG3 GLN 37 HG3 GLN 37 5.077 -5.156 -12.547 281 HE21 GLN 37 HE21 GLN 37 4.554 -3.088 -13.341 282 HE22 GLN 37 HE22 GLN 37 5.274 -1.655 -12.702 283 H GLY 38 H GLY 38 5.699 -7.420 -11.308 284 HA2 GLY 38 HA2 GLY 38 6.387 -9.156 -9.224 285 HA3 GLY 38 HA3 GLY 38 7.529 -8.313 -10.252 286 H ARG 39 H ARG 39 7.136 -5.653 -9.516 287 HA ARG 39 HA ARG 39 8.251 -5.466 -6.851 288 HB2 ARG 39 HB2 ARG 39 7.583 -3.425 -8.976 289 HB3 ARG 39 HB3 ARG 39 7.840 -2.873 -7.330 290 HG2 ARG 39 HG2 ARG 39 9.895 -2.618 -8.536 291 HG3 ARG 39 HG3 ARG 39 10.105 -3.910 -7.353 292 HD2 ARG 39 HD2 ARG 39 9.785 -5.583 -9.154 293 HD3 ARG 39 HD3 ARG 39 9.608 -4.273 -10.329 294 HE ARG 39 HE ARG 39 12.074 -4.664 -8.740 295 HH11 ARG 39 HH11 ARG 39 10.600 -4.110 -11.814 296 HH12 ARG 39 HH12 ARG 39 12.119 -4.005 -12.626 297 HH21 ARG 39 HH21 ARG 39 13.971 -4.510 -9.796 298 HH22 ARG 39 HH22 ARG 39 13.997 -4.219 -11.499 299 H VAL 40 H VAL 40 5.053 -4.898 -8.281 300 HA VAL 40 HA VAL 40 3.983 -3.918 -5.699 301 HB VAL 40 HB VAL 40 2.715 -3.776 -8.475 302 HG11 VAL 40 HG11 VAL 40 1.028 -3.782 -6.678 303 HG12 VAL 40 HG12 VAL 40 1.104 -2.206 -7.465 304 HG13 VAL 40 HG13 VAL 40 1.851 -2.436 -5.883 305 HG21 VAL 40 HG21 VAL 40 4.132 -1.577 -6.910 306 HG22 VAL 40 HG22 VAL 40 3.289 -1.366 -8.448 307 HG23 VAL 40 HG23 VAL 40 4.739 -2.369 -8.369 308 H GLN 41 H GLN 41 3.920 -6.022 -4.751 309 HA GLN 41 HA GLN 41 2.404 -8.202 -5.922 310 HB2 GLN 41 HB2 GLN 41 3.697 -7.944 -3.175 311 HB3 GLN 41 HB3 GLN 41 3.066 -9.433 -3.879 312 HG2 GLN 41 HG2 GLN 41 4.764 -9.334 -5.653 313 HG3 GLN 41 HG3 GLN 41 5.374 -7.812 -5.002 314 HE21 GLN 41 HE21 GLN 41 7.440 -8.702 -4.707 315 HE22 GLN 41 HE22 GLN 41 7.782 -9.832 -3.450 316 H LEU 42 H LEU 42 0.220 -7.936 -5.957 317 HA LEU 42 HA LEU 42 -1.221 -6.792 -3.655 318 HB2 LEU 42 HB2 LEU 42 -2.079 -7.356 -6.515 319 HB3 LEU 42 HB3 LEU 42 -3.188 -6.795 -5.271 320 HG LEU 42 HG LEU 42 -0.777 -5.254 -6.328 321 HD11 LEU 42 HD11 LEU 42 -2.436 -3.685 -7.230 322 HD12 LEU 42 HD12 LEU 42 -3.745 -4.735 -6.680 323 HD13 LEU 42 HD13 LEU 42 -2.625 -5.293 -7.927 324 HD21 LEU 42 HD21 LEU 42 -1.585 -3.387 -4.919 325 HD22 LEU 42 HD22 LEU 42 -1.094 -4.777 -3.954 326 HD23 LEU 42 HD23 LEU 42 -2.808 -4.453 -4.218 327 H GLU 43 H GLU 43 -1.804 -8.243 -2.150 328 HA GLU 43 HA GLU 43 -2.885 -10.882 -2.826 329 HB2 GLU 43 HB2 GLU 43 -1.402 -10.657 -0.835 330 HB3 GLU 43 HB3 GLU 43 -2.540 -9.524 -0.107 331 HG2 GLU 43 HG2 GLU 43 -4.261 -11.332 -0.075 332 HG3 GLU 43 HG3 GLU 43 -3.062 -12.452 -0.717 333 H GLN 44 H GLN 44 -5.035 -11.306 -2.932 334 HA GLN 44 HA GLN 44 -7.000 -9.379 -1.851 335 HB2 GLN 44 HB2 GLN 44 -8.497 -9.991 -3.808 336 HB3 GLN 44 HB3 GLN 44 -7.083 -9.029 -4.212 337 HG2 GLN 44 HG2 GLN 44 -5.942 -11.068 -5.042 338 HG3 GLN 44 HG3 GLN 44 -7.379 -12.014 -4.657 339 HE21 GLN 44 HE21 GLN 44 -6.032 -9.608 -6.815 340 HE22 GLN 44 HE22 GLN 44 -7.267 -9.719 -8.014 341 H ALA 45 H ALA 45 -7.955 -10.303 -0.164 342 HA ALA 45 HA ALA 45 -8.966 -13.064 -0.247 343 HB1 ALA 45 HB1 ALA 45 -6.639 -13.269 0.556 344 HB2 ALA 45 HB2 ALA 45 -7.786 -13.687 1.831 345 HB3 ALA 45 HB3 ALA 45 -6.975 -12.118 1.851 346 H GLY 46 H GLY 46 -10.029 -13.561 2.007 347 HA2 GLY 46 HA2 GLY 46 -12.069 -11.646 2.572 348 HA3 GLY 46 HA3 GLY 46 -11.745 -13.120 3.468 349 H ALA 47 H ALA 47 -11.716 -9.783 3.623 350 HA ALA 47 HA ALA 47 -11.316 -8.271 5.233 351 HB1 ALA 47 HB1 ALA 47 -11.982 -9.975 6.885 352 HB2 ALA 47 HB2 ALA 47 -10.748 -8.888 7.529 353 HB3 ALA 47 HB3 ALA 47 -10.306 -10.514 7.001 354 H ARG 48 H ARG 48 -8.483 -10.533 5.261 355 HA ARG 48 HA ARG 48 -6.640 -8.332 5.637 356 HB2 ARG 48 HB2 ARG 48 -6.255 -10.578 6.715 357 HB3 ARG 48 HB3 ARG 48 -5.920 -11.243 5.116 358 HG2 ARG 48 HG2 ARG 48 -4.051 -9.536 4.883 359 HG3 ARG 48 HG3 ARG 48 -4.345 -9.075 6.565 360 HD2 ARG 48 HD2 ARG 48 -2.524 -10.570 6.666 361 HD3 ARG 48 HD3 ARG 48 -3.913 -11.556 7.134 362 HE ARG 48 HE ARG 48 -3.586 -11.814 4.372 363 HH11 ARG 48 HH11 ARG 48 -1.899 -12.759 7.244 364 HH12 ARG 48 HH12 ARG 48 -1.036 -14.016 6.432 365 HH21 ARG 48 HH21 ARG 48 -2.456 -13.400 3.371 366 HH22 ARG 48 HH22 ARG 48 -1.344 -14.369 4.274 367 H GLN 49 H GLN 49 -6.262 -7.055 3.921 368 HA GLN 49 HA GLN 49 -5.410 -8.229 1.340 369 HB2 GLN 49 HB2 GLN 49 -5.809 -5.290 2.083 370 HB3 GLN 49 HB3 GLN 49 -5.456 -5.915 0.475 371 HG2 GLN 49 HG2 GLN 49 -8.021 -6.212 2.054 372 HG3 GLN 49 HG3 GLN 49 -7.779 -5.370 0.536 373 HE21 GLN 49 HE21 GLN 49 -7.395 -6.681 -1.368 374 HE22 GLN 49 HE22 GLN 49 -8.009 -8.276 -1.437 375 H VAL 50 H VAL 50 -3.228 -7.912 0.588 376 HA VAL 50 HA VAL 50 -1.395 -6.381 2.335 377 HB VAL 50 HB VAL 50 -0.692 -9.174 1.298 378 HG11 VAL 50 HG11 VAL 50 1.412 -8.910 2.583 379 HG12 VAL 50 HG12 VAL 50 0.943 -7.266 3.024 380 HG13 VAL 50 HG13 VAL 50 1.263 -7.669 1.336 381 HG21 VAL 50 HG21 VAL 50 -1.167 -8.300 4.183 382 HG22 VAL 50 HG22 VAL 50 -0.629 -9.900 3.663 383 HG23 VAL 50 HG23 VAL 50 -2.242 -9.329 3.229 384 H LEU 51 H LEU 51 -0.788 -4.749 1.015 385 HA LEU 51 HA LEU 51 0.171 -5.274 -1.732 386 HB2 LEU 51 HB2 LEU 51 -1.260 -3.352 -1.571 387 HB3 LEU 51 HB3 LEU 51 -0.423 -2.730 -0.178 388 HG LEU 51 HG LEU 51 -0.157 -1.489 -2.472 389 HD11 LEU 51 HD11 LEU 51 1.164 -0.900 -0.502 390 HD12 LEU 51 HD12 LEU 51 2.104 -0.755 -1.981 391 HD13 LEU 51 HD13 LEU 51 2.361 -2.133 -0.907 392 HD21 LEU 51 HD21 LEU 51 1.936 -3.631 -2.981 393 HD22 LEU 51 HD22 LEU 51 1.539 -2.223 -3.986 394 HD23 LEU 51 HD23 LEU 51 0.377 -3.527 -3.798 395 H ARG 52 H ARG 52 2.302 -5.676 -2.070 396 HA ARG 52 HA ARG 52 4.292 -4.740 -0.079 397 HB2 ARG 52 HB2 ARG 52 4.446 -7.326 -1.682 398 HB3 ARG 52 HB3 ARG 52 5.643 -6.740 -0.524 399 HG2 ARG 52 HG2 ARG 52 3.676 -6.782 1.186 400 HG3 ARG 52 HG3 ARG 52 2.870 -7.813 0.001 401 HD2 ARG 52 HD2 ARG 52 5.575 -8.369 1.253 402 HD3 ARG 52 HD3 ARG 52 4.046 -9.055 1.802 403 HE ARG 52 HE ARG 52 4.564 -9.615 -0.959 404 HH11 ARG 52 HH11 ARG 52 5.265 -10.640 2.281 405 HH12 ARG 52 HH12 ARG 52 5.661 -12.249 1.789 406 HH21 ARG 52 HH21 ARG 52 5.076 -11.673 -1.549 407 HH22 ARG 52 HH22 ARG 52 5.557 -12.822 -0.351 408 H VAL 53 H VAL 53 5.285 -3.028 -1.005 409 HA VAL 53 HA VAL 53 6.105 -3.061 -3.821 410 HB VAL 53 HB VAL 53 6.531 -0.890 -1.712 411 HG11 VAL 53 HG11 VAL 53 6.907 -0.756 -4.737 412 HG12 VAL 53 HG12 VAL 53 8.197 -0.740 -3.533 413 HG13 VAL 53 HG13 VAL 53 7.061 0.606 -3.621 414 HG21 VAL 53 HG21 VAL 53 4.134 -1.214 -2.163 415 HG22 VAL 53 HG22 VAL 53 4.415 -1.053 -3.897 416 HG23 VAL 53 HG23 VAL 53 4.681 0.326 -2.827 417 H GLN 54 H GLN 54 8.000 -3.944 -4.374 418 HA GLN 54 HA GLN 54 10.176 -4.504 -2.568 419 HB2 GLN 54 HB2 GLN 54 9.687 -5.945 -4.539 420 HB3 GLN 54 HB3 GLN 54 10.032 -4.600 -5.618 421 HG2 GLN 54 HG2 GLN 54 12.398 -4.599 -4.712 422 HG3 GLN 54 HG3 GLN 54 12.009 -6.089 -3.857 423 HE21 GLN 54 HE21 GLN 54 11.623 -7.996 -5.111 424 HE22 GLN 54 HE22 GLN 54 12.189 -8.120 -6.737 425 H GLY 55 H GLY 55 11.707 -3.046 -1.942 426 HA2 GLY 55 HA2 GLY 55 13.552 -1.614 -2.937 427 HA3 GLY 55 HA3 GLY 55 12.257 -0.635 -3.610 428 H ALA 56 H ALA 56 10.760 0.388 -2.074 429 HA ALA 56 HA ALA 56 10.298 1.831 -0.407 430 HB1 ALA 56 HB1 ALA 56 9.967 -0.238 0.876 431 HB2 ALA 56 HB2 ALA 56 10.556 1.068 1.907 432 HB3 ALA 56 HB3 ALA 56 11.660 -0.205 1.378 433 H ARG 57 H ARG 57 11.671 3.502 -1.265 434 HA ARG 57 HA ARG 57 13.836 4.377 0.445 435 HB2 ARG 57 HB2 ARG 57 15.052 2.741 -0.885 436 HB3 ARG 57 HB3 ARG 57 14.402 3.400 -2.381 437 HG2 ARG 57 HG2 ARG 57 15.694 5.501 -1.983 438 HG3 ARG 57 HG3 ARG 57 16.394 4.768 -0.533 439 HD2 ARG 57 HD2 ARG 57 17.869 4.628 -2.569 440 HD3 ARG 57 HD3 ARG 57 17.491 3.055 -1.851 441 HE ARG 57 HE ARG 57 15.722 3.896 -4.001 442 HH11 ARG 57 HH11 ARG 57 18.616 2.142 -3.295 443 HH12 ARG 57 HH12 ARG 57 18.461 1.145 -4.692 444 HH21 ARG 57 HH21 ARG 57 15.545 2.596 -5.745 445 HH22 ARG 57 HH22 ARG 57 16.754 1.403 -6.072 446 H SER 58 H SER 58 12.875 4.891 -2.993 447 HA SER 58 HA SER 58 12.391 7.766 -2.464 448 HB2 SER 58 HB2 SER 58 14.233 6.704 -4.656 449 HB3 SER 58 HB3 SER 58 13.738 8.388 -4.474 450 HG SER 58 HG SER 58 15.800 7.944 -3.557 451 H GLY 59 H GLY 59 10.478 8.334 -3.315 452 HA2 GLY 59 HA2 GLY 59 8.682 8.440 -4.808 453 HA3 GLY 59 HA3 GLY 59 9.401 7.162 -5.774 454 H ASP 60 H ASP 60 9.681 5.682 -3.031 455 HA ASP 60 HA ASP 60 7.257 4.130 -3.148 456 HB2 ASP 60 HB2 ASP 60 9.525 4.023 -1.111 457 HB3 ASP 60 HB3 ASP 60 8.322 2.768 -1.407 458 H ALA 61 H ALA 61 8.300 6.866 -1.311 459 HA ALA 61 HA ALA 61 6.493 6.508 0.942 460 HB1 ALA 61 HB1 ALA 61 7.340 8.722 1.659 461 HB2 ALA 61 HB2 ALA 61 8.219 8.889 0.135 462 HB3 ALA 61 HB3 ALA 61 8.668 7.623 1.280 463 H GLY 62 H GLY 62 4.401 7.055 0.864 464 HA2 GLY 62 HA2 GLY 62 3.260 9.404 0.003 465 HA3 GLY 62 HA3 GLY 62 3.205 8.342 -1.400 466 H GLU 63 H GLU 63 0.864 8.840 -1.021 467 HA GLU 63 HA GLU 63 -0.473 7.413 1.151 468 HB2 GLU 63 HB2 GLU 63 -1.673 9.073 -1.114 469 HB3 GLU 63 HB3 GLU 63 -2.545 8.426 0.269 470 HG2 GLU 63 HG2 GLU 63 -2.200 10.763 0.657 471 HG3 GLU 63 HG3 GLU 63 -1.152 9.882 1.767 472 H TYR 64 H TYR 64 -0.968 5.335 0.907 473 HA TYR 64 HA TYR 64 -1.594 4.182 -1.748 474 HB2 TYR 64 HB2 TYR 64 -0.779 2.892 0.889 475 HB3 TYR 64 HB3 TYR 64 -1.290 1.976 -0.522 476 HD1 TYR 64 HD2 TYR 64 1.341 4.406 0.654 477 HD2 TYR 64 HD1 TYR 64 0.263 1.433 -2.239 478 HE1 TYR 64 HE2 TYR 64 3.651 4.372 -0.192 479 HE2 TYR 64 HE1 TYR 64 2.562 1.422 -3.082 480 HH TYR 64 HH TYR 64 5.147 2.778 -1.438 481 H LEU 65 H LEU 65 -3.738 4.304 -2.145 482 HA LEU 65 HA LEU 65 -5.691 4.424 0.033 483 HB2 LEU 65 HB2 LEU 65 -5.606 6.214 -1.676 484 HB3 LEU 65 HB3 LEU 65 -5.898 5.033 -2.938 485 HG LEU 65 HG LEU 65 -8.169 4.599 -1.981 486 HD11 LEU 65 HD11 LEU 65 -7.542 6.904 -0.108 487 HD12 LEU 65 HD12 LEU 65 -7.765 5.213 0.353 488 HD13 LEU 65 HD13 LEU 65 -9.116 6.127 -0.311 489 HD21 LEU 65 HD21 LEU 65 -9.187 6.698 -2.765 490 HD22 LEU 65 HD22 LEU 65 -7.889 6.175 -3.837 491 HD23 LEU 65 HD23 LEU 65 -7.611 7.498 -2.700 492 H CYS 66 H CYS 66 -6.107 2.322 0.638 493 HA CYS 66 HA CYS 66 -6.686 0.193 -1.257 494 HB2 CYS 66 HB2 CYS 66 -5.570 -0.270 0.929 495 HB3 CYS 66 HB3 CYS 66 -7.043 0.211 1.769 496 HG CYS 66 HG CYS 66 -7.637 -2.117 -0.521 497 H ASP 67 H ASP 67 -8.495 0.726 -2.414 498 HA ASP 67 HA ASP 67 -10.903 1.732 -1.069 499 HB2 ASP 67 HB2 ASP 67 -10.038 3.039 -2.947 500 HB3 ASP 67 HB3 ASP 67 -10.107 1.631 -4.004 501 H ALA 68 H ALA 68 -12.709 0.545 -0.818 502 HA ALA 68 HA ALA 68 -13.260 -1.790 -2.558 503 HB1 ALA 68 HB1 ALA 68 -13.682 -1.719 0.464 504 HB2 ALA 68 HB2 ALA 68 -12.436 -2.642 -0.375 505 HB3 ALA 68 HB3 ALA 68 -14.136 -3.044 -0.614 506 HA PRO 69 HA PRO 69 -17.270 0.101 -3.316 507 HB2 PRO 69 HB2 PRO 69 -18.995 -2.121 -3.095 508 HB3 PRO 69 HB3 PRO 69 -18.073 -1.683 -4.538 509 HG2 PRO 69 HG2 PRO 69 -17.387 -3.665 -2.375 510 HG3 PRO 69 HG3 PRO 69 -17.208 -3.829 -4.136 511 HD2 PRO 69 HD2 PRO 69 -15.078 -3.286 -2.626 512 HD3 PRO 69 HD3 PRO 69 -15.279 -2.463 -4.190 513 H GLN 70 H GLN 70 -16.862 -1.732 -0.352 514 HA GLN 70 HA GLN 70 -19.124 -0.467 1.010 515 HB2 GLN 70 HB2 GLN 70 -18.405 -2.895 1.372 516 HB3 GLN 70 HB3 GLN 70 -16.983 -2.286 2.195 517 HG2 GLN 70 HG2 GLN 70 -19.791 -1.627 3.130 518 HG3 GLN 70 HG3 GLN 70 -18.958 -3.094 3.630 519 HE21 GLN 70 HE21 GLN 70 -19.116 0.370 3.995 520 HE22 GLN 70 HE22 GLN 70 -18.048 0.474 5.343 521 H ASP 71 H ASP 71 -15.531 -0.583 1.465 522 HA ASP 71 HA ASP 71 -15.544 2.105 2.648 523 HB2 ASP 71 HB2 ASP 71 -15.934 0.626 4.566 524 HB3 ASP 71 HB3 ASP 71 -14.557 -0.376 4.120 525 H SER 72 H SER 72 -13.530 3.146 2.674 526 HA SER 72 HA SER 72 -11.253 1.833 1.310 527 HB2 SER 72 HB2 SER 72 -12.406 3.255 -0.336 528 HB3 SER 72 HB3 SER 72 -12.307 4.638 0.754 529 HG SER 72 HG SER 72 -10.009 3.232 -0.134 530 H ARG 73 H ARG 73 -9.292 2.191 2.253 531 HA ARG 73 HA ARG 73 -9.052 4.186 4.448 532 HB2 ARG 73 HB2 ARG 73 -7.552 1.561 4.017 533 HB3 ARG 73 HB3 ARG 73 -7.180 2.721 5.287 534 HG2 ARG 73 HG2 ARG 73 -9.768 1.161 5.013 535 HG3 ARG 73 HG3 ARG 73 -8.455 0.812 6.136 536 HD2 ARG 73 HD2 ARG 73 -9.878 1.967 7.541 537 HD3 ARG 73 HD3 ARG 73 -8.915 3.315 6.935 538 HE ARG 73 HE ARG 73 -11.387 2.701 5.496 539 HH11 ARG 73 HH11 ARG 73 -9.789 4.810 7.713 540 HH12 ARG 73 HH12 ARG 73 -11.094 5.941 7.721 541 HH21 ARG 73 HH21 ARG 73 -13.029 4.151 5.543 542 HH22 ARG 73 HH22 ARG 73 -12.894 5.579 6.510 543 H ILE 74 H ILE 74 -7.548 5.776 4.234 544 HA ILE 74 HA ILE 74 -5.606 5.802 2.033 545 HB ILE 74 HB ILE 74 -6.022 7.864 4.259 546 HG12 ILE 74 HG12 ILE 74 -7.133 7.944 1.414 547 HG13 ILE 74 HG13 ILE 74 -8.082 7.582 2.850 548 HG21 ILE 74 HG21 ILE 74 -4.526 8.132 1.615 549 HG22 ILE 74 HG22 ILE 74 -3.790 8.033 3.216 550 HG23 ILE 74 HG23 ILE 74 -4.778 9.428 2.788 551 HD11 ILE 74 HD11 ILE 74 -6.704 10.201 2.247 552 HD12 ILE 74 HD12 ILE 74 -7.647 9.844 3.696 553 HD13 ILE 74 HD13 ILE 74 -8.429 9.864 2.116 554 H PHE 75 H PHE 75 -3.561 4.978 2.334 555 HA PHE 75 HA PHE 75 -2.560 4.490 5.077 556 HB2 PHE 75 HB2 PHE 75 -1.731 3.324 2.388 557 HB3 PHE 75 HB3 PHE 75 -0.776 3.092 3.847 558 HD1 PHE 75 HD2 PHE 75 -4.433 2.827 2.932 559 HD2 PHE 75 HD1 PHE 75 -1.045 0.987 4.795 560 HE1 PHE 75 HE2 PHE 75 -5.807 0.886 3.529 561 HE2 PHE 75 HE1 PHE 75 -2.438 -0.950 5.377 562 HZ PHE 75 HZ PHE 75 -4.811 -0.992 4.747 563 H LEU 76 H LEU 76 -1.583 6.320 5.783 564 HA LEU 76 HA LEU 76 0.139 7.938 4.106 565 HB2 LEU 76 HB2 LEU 76 -0.230 7.983 7.124 566 HB3 LEU 76 HB3 LEU 76 0.641 9.188 6.186 567 HG LEU 76 HG LEU 76 -2.352 8.638 6.091 568 HD11 LEU 76 HD11 LEU 76 -0.825 11.048 7.119 569 HD12 LEU 76 HD12 LEU 76 -1.665 9.842 8.096 570 HD13 LEU 76 HD13 LEU 76 -2.583 10.895 7.025 571 HD21 LEU 76 HD21 LEU 76 -0.755 10.653 4.461 572 HD22 LEU 76 HD22 LEU 76 -2.518 10.552 4.531 573 HD23 LEU 76 HD23 LEU 76 -1.590 9.225 3.840 574 H VAL 77 H VAL 77 1.716 6.590 3.361 575 HA VAL 77 HA VAL 77 3.500 5.214 5.256 576 HB VAL 77 HB VAL 77 3.295 4.966 2.224 577 HG11 VAL 77 HG11 VAL 77 5.029 3.394 4.179 578 HG12 VAL 77 HG12 VAL 77 5.605 4.550 2.975 579 HG13 VAL 77 HG13 VAL 77 4.852 3.044 2.459 580 HG21 VAL 77 HG21 VAL 77 2.393 3.039 4.412 581 HG22 VAL 77 HG22 VAL 77 2.328 2.720 2.676 582 HG23 VAL 77 HG23 VAL 77 1.333 4.001 3.376 583 H SER 78 H SER 78 5.129 6.444 5.939 584 HA SER 78 HA SER 78 6.556 8.213 4.024 585 HB2 SER 78 HB2 SER 78 7.399 9.424 6.008 586 HB3 SER 78 HB3 SER 78 5.637 9.383 6.008 587 HG SER 78 HG SER 78 7.457 8.160 7.724 588 H VAL 79 H VAL 79 8.126 6.990 3.121 589 HA VAL 79 HA VAL 79 9.831 5.209 4.675 590 HB VAL 79 HB VAL 79 10.144 6.126 1.775 591 HG11 VAL 79 HG11 VAL 79 12.288 5.378 2.741 592 HG12 VAL 79 HG12 VAL 79 11.711 4.209 1.558 593 HG13 VAL 79 HG13 VAL 79 11.542 3.868 3.279 594 HG21 VAL 79 HG21 VAL 79 9.217 3.903 1.149 595 HG22 VAL 79 HG22 VAL 79 8.046 4.855 2.064 596 HG23 VAL 79 HG23 VAL 79 8.927 3.544 2.855 597 H GLU 80 H GLU 80 11.579 5.900 5.734 598 HA GLU 80 HA GLU 80 13.168 8.217 5.115 599 HB2 GLU 80 HB2 GLU 80 12.463 9.563 7.097 600 HB3 GLU 80 HB3 GLU 80 11.139 9.366 5.950 601 HG2 GLU 80 HG2 GLU 80 10.167 7.579 7.357 602 HG3 GLU 80 HG3 GLU 80 11.504 7.746 8.497 603 H GLU 81 H GLU 81 14.530 8.777 7.202 604 HA GLU 81 HA GLU 81 15.825 8.301 8.989 605 HB2 GLU 81 HB2 GLU 81 13.625 8.043 10.070 606 HB3 GLU 81 HB3 GLU 81 13.581 6.345 9.615 607 HG2 GLU 81 HG2 GLU 81 15.380 5.823 11.138 608 HG3 GLU 81 HG3 GLU 81 15.642 7.536 11.486 609 HA PRO 82 HA PRO 82 17.824 4.796 6.610 610 HB2 PRO 82 HB2 PRO 82 20.299 6.363 7.228 611 HB3 PRO 82 HB3 PRO 82 19.731 5.730 5.681 612 HG2 PRO 82 HG2 PRO 82 19.588 8.356 6.202 613 HG3 PRO 82 HG3 PRO 82 18.278 7.536 5.322 614 HD2 PRO 82 HD2 PRO 82 18.390 8.326 8.242 615 HD3 PRO 82 HD3 PRO 82 17.061 8.527 7.074 Start of MODEL 15 1 H MET 1 H1 MET 1 -5.918 7.187 11.690 2 HA MET 1 HA MET 1 -6.693 6.613 8.883 3 HB2 MET 1 HB2 MET 1 -5.786 8.970 9.502 4 HB3 MET 1 HB3 MET 1 -4.250 8.179 9.807 5 HG2 MET 1 HG2 MET 1 -4.179 7.436 7.461 6 HG3 MET 1 HG3 MET 1 -5.734 8.222 7.167 7 HE1 MET 1 HE1 MET 1 -3.595 10.811 5.278 8 HE2 MET 1 HE2 MET 1 -5.141 9.964 5.334 9 HE3 MET 1 HE3 MET 1 -3.638 9.052 5.169 10 H THR 2 H THR 2 -5.443 5.032 7.861 11 HA THR 2 HA THR 2 -4.018 3.178 9.662 12 HB THR 2 HB THR 2 -4.907 2.660 6.773 13 HG1 THR 2 HG1 THR 2 -6.411 1.962 9.082 14 HG21 THR 2 HG21 THR 2 -3.371 0.954 7.641 15 HG22 THR 2 HG22 THR 2 -5.001 0.271 7.522 16 HG23 THR 2 HG23 THR 2 -4.360 0.761 9.095 17 H ARG 3 H ARG 3 -1.843 3.896 9.759 18 HA ARG 3 HA ARG 3 -0.459 4.653 7.224 19 HB2 ARG 3 HB2 ARG 3 -0.122 5.900 9.981 20 HB3 ARG 3 HB3 ARG 3 0.788 6.354 8.538 21 HG2 ARG 3 HG2 ARG 3 -1.203 7.244 7.485 22 HG3 ARG 3 HG3 ARG 3 -2.230 6.605 8.776 23 HD2 ARG 3 HD2 ARG 3 -0.128 8.781 9.078 24 HD3 ARG 3 HD3 ARG 3 -1.880 9.022 9.043 25 HE ARG 3 HE ARG 3 -1.094 7.201 11.107 26 HH11 ARG 3 HH11 ARG 3 -1.313 10.582 10.420 27 HH12 ARG 3 HH12 ARG 3 -1.339 11.006 12.092 28 HH21 ARG 3 HH21 ARG 3 -1.133 7.788 13.213 29 HH22 ARG 3 HH22 ARG 3 -1.253 9.458 13.644 30 H VAL 4 H VAL 4 1.773 4.162 7.041 31 HA VAL 4 HA VAL 4 3.081 2.512 9.118 32 HB VAL 4 HB VAL 4 2.911 1.711 6.168 33 HG11 VAL 4 HG11 VAL 4 4.188 -0.326 6.813 34 HG12 VAL 4 HG12 VAL 4 4.383 0.320 8.443 35 HG13 VAL 4 HG13 VAL 4 5.127 1.148 7.073 36 HG21 VAL 4 HG21 VAL 4 0.821 1.169 7.363 37 HG22 VAL 4 HG22 VAL 4 1.734 0.309 8.604 38 HG23 VAL 4 HG23 VAL 4 1.697 -0.311 6.951 39 H ARG 5 H ARG 5 5.263 2.936 9.321 40 HA ARG 5 HA ARG 5 6.575 4.798 7.435 41 HB2 ARG 5 HB2 ARG 5 7.512 3.846 10.181 42 HB3 ARG 5 HB3 ARG 5 8.252 5.120 9.205 43 HG2 ARG 5 HG2 ARG 5 6.148 6.451 9.411 44 HG3 ARG 5 HG3 ARG 5 5.482 5.192 10.460 45 HD2 ARG 5 HD2 ARG 5 7.930 6.900 11.011 46 HD3 ARG 5 HD3 ARG 5 6.351 7.058 11.781 47 HE ARG 5 HE ARG 5 6.917 4.579 12.473 48 HH11 ARG 5 HH11 ARG 5 9.110 7.257 12.453 49 HH12 ARG 5 HH12 ARG 5 10.013 6.644 13.791 50 HH21 ARG 5 HH21 ARG 5 8.108 3.830 14.161 51 HH22 ARG 5 HH22 ARG 5 9.458 4.740 14.738 52 H SER 6 H SER 6 7.790 3.886 5.868 53 HA SER 6 HA SER 6 8.940 1.181 6.140 54 HB2 SER 6 HB2 SER 6 7.662 1.733 4.063 55 HB3 SER 6 HB3 SER 6 8.805 3.024 3.696 56 HG SER 6 HG SER 6 9.321 1.121 2.559 57 H THR 7 H THR 7 11.216 0.831 5.457 58 HA THR 7 HA THR 7 13.012 3.074 6.154 59 HB THR 7 HB THR 7 14.704 0.860 5.996 60 HG1 THR 7 HG1 THR 7 13.701 -0.897 6.859 61 HG21 THR 7 HG21 THR 7 14.694 0.843 8.452 62 HG22 THR 7 HG22 THR 7 13.206 1.793 8.471 63 HG23 THR 7 HG23 THR 7 14.702 2.495 7.826 64 HA PRO 8 HA PRO 8 14.747 3.538 1.990 65 HB2 PRO 8 HB2 PRO 8 17.412 3.537 3.434 66 HB3 PRO 8 HB3 PRO 8 16.771 4.689 2.270 67 HG2 PRO 8 HG2 PRO 8 16.804 5.338 4.828 68 HG3 PRO 8 HG3 PRO 8 15.382 5.739 3.841 69 HD2 PRO 8 HD2 PRO 8 15.748 3.479 5.807 70 HD3 PRO 8 HD3 PRO 8 14.344 4.543 5.554 71 H GLY 9 H GLY 9 14.389 1.560 1.008 72 HA2 GLY 9 HA2 GLY 9 15.041 -0.369 -0.106 73 HA3 GLY 9 HA3 GLY 9 16.574 -0.339 0.746 74 H GLY 10 H GLY 10 13.663 -0.166 2.641 75 HA2 GLY 10 HA2 GLY 10 14.318 -2.686 3.977 76 HA3 GLY 10 HA3 GLY 10 13.172 -1.475 4.512 77 H ASP 11 H ASP 11 12.186 -1.772 1.510 78 HA ASP 11 HA ASP 11 10.551 -2.740 0.329 79 HB2 ASP 11 HB2 ASP 11 11.058 -5.269 1.936 80 HB3 ASP 11 HB3 ASP 11 10.162 -5.170 0.418 81 H LEU 12 H LEU 12 8.511 -2.214 0.472 82 HA LEU 12 HA LEU 12 7.235 -1.806 3.040 83 HB2 LEU 12 HB2 LEU 12 7.177 -0.150 1.166 84 HB3 LEU 12 HB3 LEU 12 6.244 -1.289 0.212 85 HG LEU 12 HG LEU 12 4.414 -1.158 1.945 86 HD11 LEU 12 HD11 LEU 12 4.428 0.690 3.569 87 HD12 LEU 12 HD12 LEU 12 6.085 1.088 3.116 88 HD13 LEU 12 HD13 LEU 12 5.724 -0.463 3.882 89 HD21 LEU 12 HD21 LEU 12 4.258 0.141 -0.123 90 HD22 LEU 12 HD22 LEU 12 5.154 1.471 0.619 91 HD23 LEU 12 HD23 LEU 12 3.556 1.031 1.228 92 H GLU 13 H GLU 13 5.533 -2.952 3.895 93 HA GLU 13 HA GLU 13 3.862 -4.655 2.184 94 HB2 GLU 13 HB2 GLU 13 5.465 -6.245 3.209 95 HB3 GLU 13 HB3 GLU 13 5.058 -5.649 4.818 96 HG2 GLU 13 HG2 GLU 13 2.766 -6.463 4.578 97 HG3 GLU 13 HG3 GLU 13 3.092 -6.980 2.929 98 H LEU 14 H LEU 14 2.092 -3.361 2.341 99 HA LEU 14 HA LEU 14 1.016 -2.448 4.898 100 HB2 LEU 14 HB2 LEU 14 -0.171 -2.192 2.102 101 HB3 LEU 14 HB3 LEU 14 -0.671 -1.315 3.545 102 HG LEU 14 HG LEU 14 1.952 -0.988 2.036 103 HD11 LEU 14 HD11 LEU 14 1.148 1.270 1.548 104 HD12 LEU 14 HD12 LEU 14 -0.371 0.927 2.382 105 HD13 LEU 14 HD13 LEU 14 0.052 0.044 0.911 106 HD21 LEU 14 HD21 LEU 14 2.392 -0.733 4.420 107 HD22 LEU 14 HD22 LEU 14 1.063 0.416 4.576 108 HD23 LEU 14 HD23 LEU 14 2.482 0.829 3.613 109 H VAL 15 H VAL 15 0.187 -4.150 6.021 110 HA VAL 15 HA VAL 15 -1.744 -5.998 4.743 111 HB VAL 15 HB VAL 15 -0.433 -6.217 7.503 112 HG11 VAL 15 HG11 VAL 15 -2.111 -8.259 5.982 113 HG12 VAL 15 HG12 VAL 15 -2.619 -7.363 7.417 114 HG13 VAL 15 HG13 VAL 15 -1.306 -8.537 7.531 115 HG21 VAL 15 HG21 VAL 15 0.969 -8.015 6.544 116 HG22 VAL 15 HG22 VAL 15 1.255 -6.474 5.729 117 HG23 VAL 15 HG23 VAL 15 0.269 -7.715 4.951 118 H VAL 16 H VAL 16 -3.766 -5.098 4.828 119 HA VAL 16 HA VAL 16 -4.685 -3.823 7.338 120 HB VAL 16 HB VAL 16 -6.812 -3.299 6.053 121 HG11 VAL 16 HG11 VAL 16 -4.264 -2.132 4.897 122 HG12 VAL 16 HG12 VAL 16 -5.096 -1.588 6.355 123 HG13 VAL 16 HG13 VAL 16 -5.877 -1.419 4.781 124 HG21 VAL 16 HG21 VAL 16 -6.776 -3.403 3.591 125 HG22 VAL 16 HG22 VAL 16 -6.646 -5.014 4.298 126 HG23 VAL 16 HG23 VAL 16 -5.212 -4.223 3.638 127 H HIS 17 H HIS 17 -6.254 -4.638 8.587 128 HA HIS 17 HA HIS 17 -7.808 -7.004 7.705 129 HB2 HIS 17 HB2 HIS 17 -6.892 -6.260 10.527 130 HB3 HIS 17 HB3 HIS 17 -8.057 -7.535 10.172 131 HD1 HIS 17 HD1 HIS 17 -4.428 -6.819 10.244 132 HD2 HIS 17 HD2 HIS 17 -6.932 -9.839 8.886 133 HE1 HIS 17 HE1 HIS 17 -2.936 -8.786 9.819 134 HE2 HIS 17 HE2 HIS 17 -4.510 -10.659 9.260 135 H LEU 18 H LEU 18 -8.224 -4.088 7.287 136 HA LEU 18 HA LEU 18 -10.090 -2.802 8.736 137 HB2 LEU 18 HB2 LEU 18 -11.058 -1.961 6.458 138 HB3 LEU 18 HB3 LEU 18 -9.401 -1.616 6.891 139 HG LEU 18 HG LEU 18 -8.650 -3.476 5.377 140 HD11 LEU 18 HD11 LEU 18 -11.505 -3.581 4.403 141 HD12 LEU 18 HD12 LEU 18 -10.637 -4.868 5.244 142 HD13 LEU 18 HD13 LEU 18 -10.111 -4.357 3.640 143 HD21 LEU 18 HD21 LEU 18 -8.564 -1.166 4.628 144 HD22 LEU 18 HD22 LEU 18 -10.225 -1.264 4.041 145 HD23 LEU 18 HD23 LEU 18 -8.959 -2.233 3.282 146 H SER 19 H SER 19 -12.257 -2.711 9.101 147 HA SER 19 HA SER 19 -13.732 -5.237 8.775 148 HB2 SER 19 HB2 SER 19 -13.394 -4.230 11.056 149 HB3 SER 19 HB3 SER 19 -14.345 -2.835 10.555 150 HG SER 19 HG SER 19 -15.756 -5.042 10.022 151 H GLY 20 H GLY 20 -13.473 -3.331 6.522 152 HA2 GLY 20 HA2 GLY 20 -16.053 -2.111 6.035 153 HA3 GLY 20 HA3 GLY 20 -14.741 -2.305 4.883 154 HA PRO 21 HA PRO 21 -18.246 -5.370 3.944 155 HB2 PRO 21 HB2 PRO 21 -19.125 -4.431 1.567 156 HB3 PRO 21 HB3 PRO 21 -19.609 -3.668 3.091 157 HG2 PRO 21 HG2 PRO 21 -17.442 -2.829 1.157 158 HG3 PRO 21 HG3 PRO 21 -18.694 -1.826 1.921 159 HD2 PRO 21 HD2 PRO 21 -16.124 -1.991 2.878 160 HD3 PRO 21 HD3 PRO 21 -17.523 -1.667 3.926 161 H GLY 22 H GLY 22 -18.541 -6.806 1.944 162 HA2 GLY 22 HA2 GLY 22 -16.166 -8.130 1.223 163 HA3 GLY 22 HA3 GLY 22 -17.736 -8.364 0.472 164 H GLY 23 H GLY 23 -14.788 -7.965 -0.479 165 HA2 GLY 23 HA2 GLY 23 -14.788 -5.517 -2.025 166 HA3 GLY 23 HA3 GLY 23 -13.540 -6.741 -1.976 167 HA PRO 24 HA PRO 24 -12.293 -7.905 -3.425 168 HB2 PRO 24 HB2 PRO 24 -11.709 -7.180 -6.277 169 HB3 PRO 24 HB3 PRO 24 -11.217 -8.604 -5.352 170 HG2 PRO 24 HG2 PRO 24 -13.101 -8.810 -7.237 171 HG3 PRO 24 HG3 PRO 24 -13.254 -9.713 -5.713 172 HD2 PRO 24 HD2 PRO 24 -14.593 -7.108 -6.503 173 HD3 PRO 24 HD3 PRO 24 -15.310 -8.562 -5.764 174 H VAL 25 H VAL 25 -11.183 -6.363 -2.392 175 HA VAL 25 HA VAL 25 -11.618 -3.549 -2.797 176 HB VAL 25 HB VAL 25 -9.645 -5.021 -0.997 177 HG11 VAL 25 HG11 VAL 25 -10.532 -2.130 -0.811 178 HG12 VAL 25 HG12 VAL 25 -8.937 -2.686 -1.314 179 HG13 VAL 25 HG13 VAL 25 -9.488 -2.968 0.339 180 HG21 VAL 25 HG21 VAL 25 -11.287 -4.673 0.816 181 HG22 VAL 25 HG22 VAL 25 -11.977 -5.636 -0.492 182 HG23 VAL 25 HG23 VAL 25 -12.406 -3.930 -0.334 183 H ARG 26 H ARG 26 -10.168 -2.005 -3.586 184 HA ARG 26 HA ARG 26 -8.106 -2.915 -5.477 185 HB2 ARG 26 HB2 ARG 26 -9.425 -0.180 -5.116 186 HB3 ARG 26 HB3 ARG 26 -8.286 -0.600 -6.395 187 HG2 ARG 26 HG2 ARG 26 -9.929 -2.226 -7.306 188 HG3 ARG 26 HG3 ARG 26 -11.073 -1.770 -6.034 189 HD2 ARG 26 HD2 ARG 26 -11.146 0.526 -6.876 190 HD3 ARG 26 HD3 ARG 26 -9.909 0.156 -8.083 191 HE ARG 26 HE ARG 26 -12.309 -1.450 -8.288 192 HH11 ARG 26 HH11 ARG 26 -10.752 1.463 -9.350 193 HH12 ARG 26 HH12 ARG 26 -11.793 1.636 -10.714 194 HH21 ARG 26 HH21 ARG 26 -13.621 -1.185 -10.037 195 HH22 ARG 26 HH22 ARG 26 -13.395 0.161 -11.092 196 H TRP 27 H TRP 27 -6.177 -1.462 -5.718 197 HA TRP 27 HA TRP 27 -5.323 -0.021 -3.285 198 HB2 TRP 27 HB2 TRP 27 -3.720 -2.058 -4.880 199 HB3 TRP 27 HB3 TRP 27 -2.912 -0.808 -3.940 200 HD1 TRP 27 HD1 TRP 27 -4.704 -4.130 -3.518 201 HE1 TRP 27 HE1 TRP 27 -4.527 -4.850 -1.066 202 HE3 TRP 27 HE3 TRP 27 -2.897 0.227 -1.521 203 HZ2 TRP 27 HZ2 TRP 27 -3.757 -3.719 1.413 204 HZ3 TRP 27 HZ3 TRP 27 -2.484 0.327 0.914 205 HH2 TRP 27 HH2 TRP 27 -2.906 -1.611 2.347 206 H TYR 28 H TYR 28 -4.852 2.017 -3.706 207 HA TYR 28 HA TYR 28 -3.806 2.854 -6.355 208 HB2 TYR 28 HB2 TYR 28 -5.437 4.484 -4.357 209 HB3 TYR 28 HB3 TYR 28 -4.737 5.130 -5.834 210 HD1 TYR 28 HD2 TYR 28 -7.352 2.823 -4.501 211 HD2 TYR 28 HD1 TYR 28 -5.828 4.789 -7.984 212 HE1 TYR 28 HE2 TYR 28 -9.389 2.227 -5.745 213 HE2 TYR 28 HE1 TYR 28 -7.869 4.197 -9.209 214 HH TYR 28 HH TYR 28 -10.663 3.072 -7.709 215 H LYS 29 H LYS 29 -2.305 4.696 -6.276 216 HA LYS 29 HA LYS 29 -1.042 5.448 -3.784 217 HB2 LYS 29 HB2 LYS 29 0.064 3.295 -4.212 218 HB3 LYS 29 HB3 LYS 29 0.537 3.814 -5.813 219 HG2 LYS 29 HG2 LYS 29 1.476 5.452 -3.477 220 HG3 LYS 29 HG3 LYS 29 2.211 3.876 -3.724 221 HD2 LYS 29 HD2 LYS 29 2.929 4.535 -5.981 222 HD3 LYS 29 HD3 LYS 29 2.162 6.112 -5.782 223 HE2 LYS 29 HE2 LYS 29 4.524 6.385 -5.382 224 HE3 LYS 29 HE3 LYS 29 3.709 6.522 -3.826 225 HZ1 LYS 29 HZ1 LYS 29 5.088 4.118 -4.862 226 HZ2 LYS 29 HZ2 LYS 29 4.279 4.214 -3.386 227 HZ3 LYS 29 HZ3 LYS 29 5.653 5.151 -3.655 228 H ASP 30 H ASP 30 -0.428 7.506 -3.938 229 HA ASP 30 HA ASP 30 0.142 9.565 -4.679 230 HB2 ASP 30 HB2 ASP 30 2.166 8.217 -5.428 231 HB3 ASP 30 HB3 ASP 30 1.448 8.123 -7.030 232 H GLY 31 H GLY 31 -2.395 8.280 -5.600 233 HA2 GLY 31 HA2 GLY 31 -4.235 9.357 -6.608 234 HA3 GLY 31 HA3 GLY 31 -3.150 10.223 -7.678 235 H GLU 32 H GLU 32 -1.992 7.161 -7.938 236 HA GLU 32 HA GLU 32 -3.974 6.301 -9.978 237 HB2 GLU 32 HB2 GLU 32 -2.009 7.406 -11.076 238 HB3 GLU 32 HB3 GLU 32 -0.945 6.200 -10.351 239 HG2 GLU 32 HG2 GLU 32 -2.192 4.414 -11.590 240 HG3 GLU 32 HG3 GLU 32 -3.176 5.664 -12.354 241 H ARG 33 H ARG 33 -4.386 4.142 -10.106 242 HA ARG 33 HA ARG 33 -3.985 2.503 -7.885 243 HB2 ARG 33 HB2 ARG 33 -5.215 0.810 -9.019 244 HB3 ARG 33 HB3 ARG 33 -5.856 2.323 -9.634 245 HG2 ARG 33 HG2 ARG 33 -3.786 0.648 -11.077 246 HG3 ARG 33 HG3 ARG 33 -5.520 0.527 -11.374 247 HD2 ARG 33 HD2 ARG 33 -5.610 2.644 -12.397 248 HD3 ARG 33 HD3 ARG 33 -4.114 3.189 -11.640 249 HE ARG 33 HE ARG 33 -3.020 1.438 -13.132 250 HH11 ARG 33 HH11 ARG 33 -5.883 3.103 -14.139 251 HH12 ARG 33 HH12 ARG 33 -5.416 3.094 -15.803 252 HH21 ARG 33 HH21 ARG 33 -2.446 1.450 -15.229 253 HH22 ARG 33 HH22 ARG 33 -3.491 2.163 -16.410 254 H LEU 34 H LEU 34 -2.687 0.717 -7.431 255 HA LEU 34 HA LEU 34 -0.255 0.318 -9.009 256 HB2 LEU 34 HB2 LEU 34 -1.193 -1.009 -6.431 257 HB3 LEU 34 HB3 LEU 34 0.354 -1.314 -7.213 258 HG LEU 34 HG LEU 34 -0.556 1.231 -5.829 259 HD11 LEU 34 HD11 LEU 34 0.329 -0.457 -4.353 260 HD12 LEU 34 HD12 LEU 34 1.432 0.912 -4.453 261 HD13 LEU 34 HD13 LEU 34 1.801 -0.583 -5.321 262 HD21 LEU 34 HD21 LEU 34 1.595 2.277 -6.523 263 HD22 LEU 34 HD22 LEU 34 0.553 1.945 -7.902 264 HD23 LEU 34 HD23 LEU 34 1.928 0.888 -7.565 265 H ALA 35 H ALA 35 0.113 -1.356 -10.348 266 HA ALA 35 HA ALA 35 -2.029 -3.263 -10.967 267 HB1 ALA 35 HB1 ALA 35 -0.969 -2.010 -12.814 268 HB2 ALA 35 HB2 ALA 35 -0.702 -3.744 -12.994 269 HB3 ALA 35 HB3 ALA 35 0.600 -2.706 -12.401 270 H SER 36 H SER 36 -1.491 -5.571 -11.274 271 HA SER 36 HA SER 36 0.043 -6.708 -9.119 272 HB2 SER 36 HB2 SER 36 -0.648 -8.913 -10.124 273 HB3 SER 36 HB3 SER 36 -2.009 -7.827 -9.846 274 HG SER 36 HG SER 36 -2.113 -8.818 -11.899 275 H GLN 37 H GLN 37 2.142 -5.924 -9.486 276 HA GLN 37 HA GLN 37 3.645 -6.885 -11.870 277 HB2 GLN 37 HB2 GLN 37 3.490 -4.401 -11.423 278 HB3 GLN 37 HB3 GLN 37 4.321 -4.653 -9.893 279 HG2 GLN 37 HG2 GLN 37 6.329 -5.415 -11.105 280 HG3 GLN 37 HG3 GLN 37 5.490 -5.201 -12.643 281 HE21 GLN 37 HE21 GLN 37 7.038 -3.691 -13.357 282 HE22 GLN 37 HE22 GLN 37 7.121 -2.087 -12.725 283 H GLY 38 H GLY 38 5.985 -7.526 -11.419 284 HA2 GLY 38 HA2 GLY 38 6.255 -9.618 -9.591 285 HA3 GLY 38 HA3 GLY 38 7.588 -8.795 -10.379 286 H ARG 39 H ARG 39 7.499 -6.278 -9.260 287 HA ARG 39 HA ARG 39 8.440 -6.666 -6.554 288 HB2 ARG 39 HB2 ARG 39 8.903 -4.236 -6.569 289 HB3 ARG 39 HB3 ARG 39 9.567 -5.034 -7.991 290 HG2 ARG 39 HG2 ARG 39 7.726 -4.177 -9.373 291 HG3 ARG 39 HG3 ARG 39 6.976 -3.445 -7.953 292 HD2 ARG 39 HD2 ARG 39 9.685 -2.692 -9.102 293 HD3 ARG 39 HD3 ARG 39 8.186 -1.786 -9.331 294 HE ARG 39 HE ARG 39 8.362 -1.842 -6.660 295 HH11 ARG 39 HH11 ARG 39 10.777 -1.047 -9.003 296 HH12 ARG 39 HH12 ARG 39 11.571 0.068 -7.953 297 HH21 ARG 39 HH21 ARG 39 9.384 -0.401 -5.354 298 HH22 ARG 39 HH22 ARG 39 10.791 0.433 -5.908 299 H VAL 40 H VAL 40 5.519 -5.300 -8.068 300 HA VAL 40 HA VAL 40 4.366 -4.523 -5.478 301 HB VAL 40 HB VAL 40 3.280 -4.062 -8.294 302 HG11 VAL 40 HG11 VAL 40 2.316 -2.904 -5.648 303 HG12 VAL 40 HG12 VAL 40 1.470 -4.121 -6.607 304 HG13 VAL 40 HG13 VAL 40 1.690 -2.492 -7.246 305 HG21 VAL 40 HG21 VAL 40 4.698 -2.111 -6.429 306 HG22 VAL 40 HG22 VAL 40 3.974 -1.700 -7.986 307 HG23 VAL 40 HG23 VAL 40 5.360 -2.791 -7.921 308 H GLN 41 H GLN 41 4.110 -6.671 -4.691 309 HA GLN 41 HA GLN 41 2.344 -8.580 -5.975 310 HB2 GLN 41 HB2 GLN 41 3.614 -8.573 -3.208 311 HB3 GLN 41 HB3 GLN 41 2.702 -9.919 -3.882 312 HG2 GLN 41 HG2 GLN 41 5.291 -8.815 -5.026 313 HG3 GLN 41 HG3 GLN 41 5.151 -10.250 -4.009 314 HE21 GLN 41 HE21 GLN 41 4.656 -8.948 -7.187 315 HE22 GLN 41 HE22 GLN 41 4.307 -10.444 -7.969 316 H LEU 42 H LEU 42 0.228 -7.989 -6.054 317 HA LEU 42 HA LEU 42 -1.147 -6.889 -3.697 318 HB2 LEU 42 HB2 LEU 42 -2.103 -7.371 -6.546 319 HB3 LEU 42 HB3 LEU 42 -3.116 -6.716 -5.265 320 HG LEU 42 HG LEU 42 -0.649 -5.395 -6.479 321 HD11 LEU 42 HD11 LEU 42 -2.225 -3.675 -7.238 322 HD12 LEU 42 HD12 LEU 42 -3.574 -4.565 -6.524 323 HD13 LEU 42 HD13 LEU 42 -2.674 -5.256 -7.882 324 HD21 LEU 42 HD21 LEU 42 -1.147 -3.474 -5.005 325 HD22 LEU 42 HD22 LEU 42 -0.701 -4.911 -4.089 326 HD23 LEU 42 HD23 LEU 42 -2.395 -4.423 -4.191 327 H GLU 43 H GLU 43 -1.454 -8.515 -2.257 328 HA GLU 43 HA GLU 43 -2.646 -11.075 -3.036 329 HB2 GLU 43 HB2 GLU 43 -0.784 -10.993 -1.357 330 HB3 GLU 43 HB3 GLU 43 -1.814 -10.043 -0.288 331 HG2 GLU 43 HG2 GLU 43 -3.432 -11.986 -0.247 332 HG3 GLU 43 HG3 GLU 43 -2.237 -12.918 -1.149 333 H GLN 44 H GLN 44 -4.773 -10.598 -3.611 334 HA GLN 44 HA GLN 44 -6.559 -9.224 -1.742 335 HB2 GLN 44 HB2 GLN 44 -6.681 -9.127 -4.357 336 HB3 GLN 44 HB3 GLN 44 -7.403 -10.724 -4.263 337 HG2 GLN 44 HG2 GLN 44 -8.563 -8.260 -2.913 338 HG3 GLN 44 HG3 GLN 44 -9.025 -8.814 -4.519 339 HE21 GLN 44 HE21 GLN 44 -9.279 -9.440 -1.094 340 HE22 GLN 44 HE22 GLN 44 -10.551 -10.597 -1.200 341 H ALA 45 H ALA 45 -6.854 -10.411 0.071 342 HA ALA 45 HA ALA 45 -7.664 -13.269 -0.123 343 HB1 ALA 45 HB1 ALA 45 -5.453 -12.941 0.970 344 HB2 ALA 45 HB2 ALA 45 -6.639 -13.602 2.094 345 HB3 ALA 45 HB3 ALA 45 -6.202 -11.892 2.176 346 H GLY 46 H GLY 46 -8.801 -13.847 2.149 347 HA2 GLY 46 HA2 GLY 46 -11.367 -12.638 2.185 348 HA3 GLY 46 HA3 GLY 46 -10.734 -13.755 3.379 349 H ALA 47 H ALA 47 -11.143 -10.416 2.503 350 HA ALA 47 HA ALA 47 -11.282 -8.456 3.611 351 HB1 ALA 47 HB1 ALA 47 -12.386 -9.645 5.471 352 HB2 ALA 47 HB2 ALA 47 -11.404 -8.294 6.045 353 HB3 ALA 47 HB3 ALA 47 -10.812 -9.951 6.203 354 H ARG 48 H ARG 48 -8.462 -10.459 4.161 355 HA ARG 48 HA ARG 48 -6.745 -8.282 5.020 356 HB2 ARG 48 HB2 ARG 48 -6.468 -10.626 5.880 357 HB3 ARG 48 HB3 ARG 48 -6.002 -11.137 4.257 358 HG2 ARG 48 HG2 ARG 48 -4.059 -9.559 4.360 359 HG3 ARG 48 HG3 ARG 48 -4.512 -9.156 6.022 360 HD2 ARG 48 HD2 ARG 48 -2.742 -10.767 6.133 361 HD3 ARG 48 HD3 ARG 48 -4.226 -11.604 6.596 362 HE ARG 48 HE ARG 48 -3.198 -11.783 3.826 363 HH11 ARG 48 HH11 ARG 48 -4.143 -13.420 6.728 364 HH12 ARG 48 HH12 ARG 48 -3.844 -14.980 6.059 365 HH21 ARG 48 HH21 ARG 48 -2.847 -13.787 3.002 366 HH22 ARG 48 HH22 ARG 48 -3.137 -15.189 3.975 367 H GLN 49 H GLN 49 -6.408 -6.804 3.408 368 HA GLN 49 HA GLN 49 -5.449 -7.685 0.754 369 HB2 GLN 49 HB2 GLN 49 -6.070 -4.873 1.759 370 HB3 GLN 49 HB3 GLN 49 -5.647 -5.304 0.106 371 HG2 GLN 49 HG2 GLN 49 -8.126 -6.248 1.575 372 HG3 GLN 49 HG3 GLN 49 -8.071 -4.909 0.429 373 HE21 GLN 49 HE21 GLN 49 -7.646 -5.370 -1.775 374 HE22 GLN 49 HE22 GLN 49 -7.952 -6.929 -2.427 375 H VAL 50 H VAL 50 -3.316 -8.090 0.668 376 HA VAL 50 HA VAL 50 -1.437 -6.431 2.256 377 HB VAL 50 HB VAL 50 -0.970 -9.208 1.089 378 HG11 VAL 50 HG11 VAL 50 1.107 -9.193 2.450 379 HG12 VAL 50 HG12 VAL 50 0.782 -7.525 2.924 380 HG13 VAL 50 HG13 VAL 50 1.118 -7.913 1.235 381 HG21 VAL 50 HG21 VAL 50 -1.472 -8.394 3.979 382 HG22 VAL 50 HG22 VAL 50 -1.072 -10.020 3.419 383 HG23 VAL 50 HG23 VAL 50 -2.600 -9.274 2.941 384 H LEU 51 H LEU 51 -0.791 -4.796 0.998 385 HA LEU 51 HA LEU 51 0.174 -5.230 -1.742 386 HB2 LEU 51 HB2 LEU 51 -1.161 -3.260 -1.489 387 HB3 LEU 51 HB3 LEU 51 -0.316 -2.756 -0.056 388 HG LEU 51 HG LEU 51 0.029 -1.419 -2.280 389 HD11 LEU 51 HD11 LEU 51 2.307 -0.790 -1.700 390 HD12 LEU 51 HD12 LEU 51 2.478 -2.225 -0.685 391 HD13 LEU 51 HD13 LEU 51 1.316 -0.971 -0.254 392 HD21 LEU 51 HD21 LEU 51 0.510 -3.335 -3.734 393 HD22 LEU 51 HD22 LEU 51 1.983 -3.676 -2.832 394 HD23 LEU 51 HD23 LEU 51 1.824 -2.170 -3.740 395 H ARG 52 H ARG 52 2.188 -5.951 -1.951 396 HA ARG 52 HA ARG 52 4.317 -5.077 -0.082 397 HB2 ARG 52 HB2 ARG 52 4.008 -7.601 -1.755 398 HB3 ARG 52 HB3 ARG 52 5.555 -7.126 -1.056 399 HG2 ARG 52 HG2 ARG 52 4.655 -7.277 1.189 400 HG3 ARG 52 HG3 ARG 52 3.037 -7.603 0.562 401 HD2 ARG 52 HD2 ARG 52 5.362 -9.433 -0.080 402 HD3 ARG 52 HD3 ARG 52 4.467 -9.590 1.434 403 HE ARG 52 HE ARG 52 3.364 -9.993 -1.279 404 HH11 ARG 52 HH11 ARG 52 3.084 -10.444 2.146 405 HH12 ARG 52 HH12 ARG 52 1.740 -11.526 1.996 406 HH21 ARG 52 HH21 ARG 52 1.641 -11.388 -1.430 407 HH22 ARG 52 HH22 ARG 52 0.945 -12.053 0.006 408 H VAL 53 H VAL 53 5.506 -3.428 -0.975 409 HA VAL 53 HA VAL 53 6.236 -3.616 -3.848 410 HB VAL 53 HB VAL 53 6.375 -1.106 -2.109 411 HG11 VAL 53 HG11 VAL 53 6.892 -1.470 -5.096 412 HG12 VAL 53 HG12 VAL 53 8.116 -1.142 -3.867 413 HG13 VAL 53 HG13 VAL 53 6.896 0.076 -4.238 414 HG21 VAL 53 HG21 VAL 53 4.029 -1.690 -2.595 415 HG22 VAL 53 HG22 VAL 53 4.394 -1.798 -4.318 416 HG23 VAL 53 HG23 VAL 53 4.503 -0.242 -3.488 417 H GLN 54 H GLN 54 7.994 -4.933 -3.739 418 HA GLN 54 HA GLN 54 10.279 -4.453 -2.050 419 HB2 GLN 54 HB2 GLN 54 9.993 -6.078 -4.617 420 HB3 GLN 54 HB3 GLN 54 11.420 -6.083 -3.579 421 HG2 GLN 54 HG2 GLN 54 10.075 -6.983 -1.724 422 HG3 GLN 54 HG3 GLN 54 8.641 -6.982 -2.750 423 HE21 GLN 54 HE21 GLN 54 9.960 -9.206 -1.383 424 HE22 GLN 54 HE22 GLN 54 10.360 -10.354 -2.607 425 H GLY 55 H GLY 55 12.224 -3.406 -2.621 426 HA2 GLY 55 HA2 GLY 55 13.539 -1.831 -3.738 427 HA3 GLY 55 HA3 GLY 55 12.333 -1.723 -5.012 428 H ALA 56 H ALA 56 11.427 -1.442 -1.629 429 HA ALA 56 HA ALA 56 10.298 1.186 -1.989 430 HB1 ALA 56 HB1 ALA 56 9.226 -0.512 -0.531 431 HB2 ALA 56 HB2 ALA 56 9.569 0.984 0.342 432 HB3 ALA 56 HB3 ALA 56 10.605 -0.427 0.571 433 H ARG 57 H ARG 57 12.062 2.578 -2.475 434 HA ARG 57 HA ARG 57 13.971 3.147 -0.265 435 HB2 ARG 57 HB2 ARG 57 15.072 1.849 -2.074 436 HB3 ARG 57 HB3 ARG 57 14.595 3.071 -3.247 437 HG2 ARG 57 HG2 ARG 57 16.029 4.733 -2.032 438 HG3 ARG 57 HG3 ARG 57 16.548 3.438 -0.946 439 HD2 ARG 57 HD2 ARG 57 17.488 2.206 -2.880 440 HD3 ARG 57 HD3 ARG 57 16.961 3.505 -3.956 441 HE ARG 57 HE ARG 57 18.598 4.617 -1.971 442 HH11 ARG 57 HH11 ARG 57 18.927 2.466 -4.671 443 HH12 ARG 57 HH12 ARG 57 20.570 2.911 -4.956 444 HH21 ARG 57 HH21 ARG 57 20.719 5.146 -2.357 445 HH22 ARG 57 HH22 ARG 57 21.565 4.401 -3.665 446 H SER 58 H SER 58 13.568 4.758 -3.455 447 HA SER 58 HA SER 58 13.505 7.356 -2.078 448 HB2 SER 58 HB2 SER 58 13.913 6.717 -5.032 449 HB3 SER 58 HB3 SER 58 14.078 8.312 -4.291 450 HG SER 58 HG SER 58 15.837 7.556 -3.118 451 H GLY 59 H GLY 59 11.850 6.145 -5.051 452 HA2 GLY 59 HA2 GLY 59 9.703 8.092 -4.730 453 HA3 GLY 59 HA3 GLY 59 9.949 6.999 -6.077 454 H ASP 60 H ASP 60 9.803 5.775 -2.794 455 HA ASP 60 HA ASP 60 7.337 4.295 -3.390 456 HB2 ASP 60 HB2 ASP 60 9.354 3.098 -2.491 457 HB3 ASP 60 HB3 ASP 60 9.241 4.047 -1.013 458 H ALA 61 H ALA 61 8.526 6.881 -1.343 459 HA ALA 61 HA ALA 61 6.567 6.812 0.716 460 HB1 ALA 61 HB1 ALA 61 8.367 9.113 -0.147 461 HB2 ALA 61 HB2 ALA 61 8.794 7.847 1.008 462 HB3 ALA 61 HB3 ALA 61 7.499 8.982 1.387 463 H GLY 62 H GLY 62 4.451 7.146 0.337 464 HA2 GLY 62 HA2 GLY 62 3.416 9.496 -0.933 465 HA3 GLY 62 HA3 GLY 62 3.330 8.094 -1.991 466 H GLU 63 H GLU 63 0.994 9.172 -1.535 467 HA GLU 63 HA GLU 63 -0.367 8.022 0.767 468 HB2 GLU 63 HB2 GLU 63 -1.500 9.540 -1.626 469 HB3 GLU 63 HB3 GLU 63 -2.433 9.011 -0.234 470 HG2 GLU 63 HG2 GLU 63 -1.991 11.354 -0.002 471 HG3 GLU 63 HG3 GLU 63 -1.048 10.494 1.214 472 H TYR 64 H TYR 64 -0.668 5.868 0.684 473 HA TYR 64 HA TYR 64 -1.560 4.518 -1.777 474 HB2 TYR 64 HB2 TYR 64 -0.760 3.443 0.955 475 HB3 TYR 64 HB3 TYR 64 -1.372 2.426 -0.344 476 HD1 TYR 64 HD2 TYR 64 1.353 4.972 0.278 477 HD2 TYR 64 HD1 TYR 64 0.202 1.388 -1.764 478 HE1 TYR 64 HE2 TYR 64 3.646 4.701 -0.566 479 HE2 TYR 64 HE1 TYR 64 2.492 1.144 -2.613 480 HH TYR 64 HH TYR 64 5.115 2.756 -1.374 481 H LEU 65 H LEU 65 -3.505 3.103 -1.679 482 HA LEU 65 HA LEU 65 -5.566 3.959 0.239 483 HB2 LEU 65 HB2 LEU 65 -5.600 5.648 -1.553 484 HB3 LEU 65 HB3 LEU 65 -5.796 4.389 -2.758 485 HG LEU 65 HG LEU 65 -8.039 3.851 -1.877 486 HD11 LEU 65 HD11 LEU 65 -9.097 5.273 -0.159 487 HD12 LEU 65 HD12 LEU 65 -7.552 6.077 0.122 488 HD13 LEU 65 HD13 LEU 65 -7.732 4.356 0.475 489 HD21 LEU 65 HD21 LEU 65 -7.851 5.534 -3.658 490 HD22 LEU 65 HD22 LEU 65 -7.704 6.815 -2.453 491 HD23 LEU 65 HD23 LEU 65 -9.204 5.895 -2.586 492 H CYS 66 H CYS 66 -5.956 1.921 1.001 493 HA CYS 66 HA CYS 66 -6.647 -0.315 -0.716 494 HB2 CYS 66 HB2 CYS 66 -5.635 -0.577 1.584 495 HB3 CYS 66 HB3 CYS 66 -7.147 -0.000 2.276 496 HG CYS 66 HG CYS 66 -8.653 -2.147 1.602 497 H ASP 67 H ASP 67 -8.347 0.333 -2.007 498 HA ASP 67 HA ASP 67 -10.596 1.865 -0.931 499 HB2 ASP 67 HB2 ASP 67 -9.464 2.760 -2.883 500 HB3 ASP 67 HB3 ASP 67 -9.666 1.242 -3.756 501 H ALA 68 H ALA 68 -12.089 0.514 0.001 502 HA ALA 68 HA ALA 68 -13.028 -1.956 -1.220 503 HB1 ALA 68 HB1 ALA 68 -14.081 -0.412 1.191 504 HB2 ALA 68 HB2 ALA 68 -12.907 -1.729 1.241 505 HB3 ALA 68 HB3 ALA 68 -14.562 -2.047 0.724 506 HA PRO 69 HA PRO 69 -16.546 -0.179 -3.544 507 HB2 PRO 69 HB2 PRO 69 -18.320 -2.394 -2.582 508 HB3 PRO 69 HB3 PRO 69 -17.822 -1.988 -4.231 509 HG2 PRO 69 HG2 PRO 69 -16.825 -4.146 -3.002 510 HG3 PRO 69 HG3 PRO 69 -15.788 -3.144 -4.042 511 HD2 PRO 69 HD2 PRO 69 -16.002 -3.137 -1.016 512 HD3 PRO 69 HD3 PRO 69 -14.548 -3.172 -2.042 513 H GLN 70 H GLN 70 -16.291 0.744 -0.677 514 HA GLN 70 HA GLN 70 -18.634 2.315 -0.481 515 HB2 GLN 70 HB2 GLN 70 -19.634 0.208 0.394 516 HB3 GLN 70 HB3 GLN 70 -18.380 0.116 1.629 517 HG2 GLN 70 HG2 GLN 70 -19.227 2.264 2.589 518 HG3 GLN 70 HG3 GLN 70 -20.515 2.260 1.379 519 HE21 GLN 70 HE21 GLN 70 -19.288 0.700 4.257 520 HE22 GLN 70 HE22 GLN 70 -20.743 -0.141 4.641 521 H ASP 71 H ASP 71 -16.384 0.784 1.861 522 HA ASP 71 HA ASP 71 -15.480 3.370 2.905 523 HB2 ASP 71 HB2 ASP 71 -14.767 0.510 3.708 524 HB3 ASP 71 HB3 ASP 71 -14.228 1.963 4.553 525 H SER 72 H SER 72 -12.991 3.443 3.369 526 HA SER 72 HA SER 72 -11.180 2.080 1.597 527 HB2 SER 72 HB2 SER 72 -10.374 4.082 0.355 528 HB3 SER 72 HB3 SER 72 -12.067 3.757 -0.010 529 HG SER 72 HG SER 72 -12.545 5.364 1.654 530 H ARG 73 H ARG 73 -9.128 2.076 2.487 531 HA ARG 73 HA ARG 73 -8.631 3.783 4.866 532 HB2 ARG 73 HB2 ARG 73 -7.893 0.941 4.182 533 HB3 ARG 73 HB3 ARG 73 -6.740 1.847 5.149 534 HG2 ARG 73 HG2 ARG 73 -8.273 0.489 6.535 535 HG3 ARG 73 HG3 ARG 73 -8.384 2.211 6.896 536 HD2 ARG 73 HD2 ARG 73 -10.443 2.307 5.449 537 HD3 ARG 73 HD3 ARG 73 -10.353 0.552 5.285 538 HE ARG 73 HE ARG 73 -10.474 0.615 7.859 539 HH11 ARG 73 HH11 ARG 73 -12.114 2.919 5.848 540 HH12 ARG 73 HH12 ARG 73 -13.407 3.130 6.973 541 HH21 ARG 73 HH21 ARG 73 -12.133 0.925 9.272 542 HH22 ARG 73 HH22 ARG 73 -13.412 2.020 8.881 543 H ILE 74 H ILE 74 -7.088 5.289 4.772 544 HA ILE 74 HA ILE 74 -5.368 5.426 2.371 545 HB ILE 74 HB ILE 74 -6.025 7.721 4.286 546 HG12 ILE 74 HG12 ILE 74 -7.377 8.624 2.240 547 HG13 ILE 74 HG13 ILE 74 -7.342 6.978 1.629 548 HG21 ILE 74 HG21 ILE 74 -4.631 7.731 1.574 549 HG22 ILE 74 HG22 ILE 74 -3.877 8.018 3.146 550 HG23 ILE 74 HG23 ILE 74 -5.051 9.170 2.512 551 HD11 ILE 74 HD11 ILE 74 -9.445 7.481 2.712 552 HD12 ILE 74 HD12 ILE 74 -8.611 7.905 4.208 553 HD13 ILE 74 HD13 ILE 74 -8.584 6.239 3.622 554 H PHE 75 H PHE 75 -3.284 5.044 2.595 555 HA PHE 75 HA PHE 75 -1.935 5.053 5.205 556 HB2 PHE 75 HB2 PHE 75 -1.232 3.820 2.523 557 HB3 PHE 75 HB3 PHE 75 -0.082 3.885 3.847 558 HD1 PHE 75 HD2 PHE 75 -3.409 2.478 2.826 559 HD2 PHE 75 HD1 PHE 75 -0.123 2.274 5.559 560 HE1 PHE 75 HE2 PHE 75 -4.232 0.302 3.669 561 HE2 PHE 75 HE1 PHE 75 -0.955 0.122 6.390 562 HZ PHE 75 HZ PHE 75 -2.984 -0.858 5.446 563 H LEU 76 H LEU 76 -0.745 6.836 5.702 564 HA LEU 76 HA LEU 76 0.782 8.227 3.606 565 HB2 LEU 76 HB2 LEU 76 0.611 8.676 6.617 566 HB3 LEU 76 HB3 LEU 76 1.646 9.611 5.543 567 HG LEU 76 HG LEU 76 -1.396 9.521 5.444 568 HD11 LEU 76 HD11 LEU 76 -0.589 10.758 7.383 569 HD12 LEU 76 HD12 LEU 76 -1.315 11.849 6.205 570 HD13 LEU 76 HD13 LEU 76 0.443 11.755 6.351 571 HD21 LEU 76 HD21 LEU 76 0.525 11.157 3.742 572 HD22 LEU 76 HD22 LEU 76 -1.234 11.313 3.751 573 HD23 LEU 76 HD23 LEU 76 -0.490 9.820 3.189 574 H VAL 77 H VAL 77 2.164 6.619 2.904 575 HA VAL 77 HA VAL 77 3.871 5.177 4.778 576 HB VAL 77 HB VAL 77 3.725 5.117 1.734 577 HG11 VAL 77 HG11 VAL 77 5.549 3.470 3.546 578 HG12 VAL 77 HG12 VAL 77 6.066 4.688 2.375 579 HG13 VAL 77 HG13 VAL 77 5.313 3.195 1.816 580 HG21 VAL 77 HG21 VAL 77 2.823 2.825 2.092 581 HG22 VAL 77 HG22 VAL 77 1.818 4.043 2.880 582 HG23 VAL 77 HG23 VAL 77 2.927 3.059 3.840 583 H SER 78 H SER 78 5.390 6.337 5.695 584 HA SER 78 HA SER 78 6.928 8.353 4.158 585 HB2 SER 78 HB2 SER 78 7.612 9.230 6.380 586 HB3 SER 78 HB3 SER 78 5.857 9.179 6.226 587 HG SER 78 HG SER 78 7.540 7.767 7.909 588 H VAL 79 H VAL 79 8.836 7.638 3.351 589 HA VAL 79 HA VAL 79 10.208 5.344 4.526 590 HB VAL 79 HB VAL 79 11.045 7.087 2.161 591 HG11 VAL 79 HG11 VAL 79 12.986 5.964 3.176 592 HG12 VAL 79 HG12 VAL 79 12.611 5.229 1.619 593 HG13 VAL 79 HG13 VAL 79 12.149 4.410 3.109 594 HG21 VAL 79 HG21 VAL 79 8.923 5.896 1.698 595 HG22 VAL 79 HG22 VAL 79 9.666 4.364 2.167 596 HG23 VAL 79 HG23 VAL 79 10.239 5.217 0.733 597 H GLU 80 H GLU 80 11.297 5.710 6.323 598 HA GLU 80 HA GLU 80 13.248 7.861 6.618 599 HB2 GLU 80 HB2 GLU 80 12.259 8.624 8.781 600 HB3 GLU 80 HB3 GLU 80 11.186 8.934 7.418 601 HG2 GLU 80 HG2 GLU 80 9.814 6.982 8.024 602 HG3 GLU 80 HG3 GLU 80 10.911 6.606 9.357 603 H GLU 81 H GLU 81 13.746 7.550 9.350 604 HA GLU 81 HA GLU 81 15.060 6.392 10.782 605 HB2 GLU 81 HB2 GLU 81 13.319 4.032 9.948 606 HB3 GLU 81 HB3 GLU 81 14.315 4.107 11.399 607 HG2 GLU 81 HG2 GLU 81 12.928 5.931 12.278 608 HG3 GLU 81 HG3 GLU 81 11.955 5.922 10.809 609 HA PRO 82 HA PRO 82 17.492 4.539 7.091 610 HB2 PRO 82 HB2 PRO 82 19.326 6.834 7.175 611 HB3 PRO 82 HB3 PRO 82 18.307 6.288 5.849 612 HG2 PRO 82 HG2 PRO 82 17.829 8.614 7.192 613 HG3 PRO 82 HG3 PRO 82 16.526 7.637 6.482 614 HD2 PRO 82 HD2 PRO 82 17.470 7.726 9.357 615 HD3 PRO 82 HD3 PRO 82 15.810 7.778 8.714 Start of MODEL 16 1 H MET 1 H1 MET 1 -5.942 6.595 11.860 2 HA MET 1 HA MET 1 -6.921 5.621 9.235 3 HB2 MET 1 HB2 MET 1 -6.821 8.139 9.493 4 HB3 MET 1 HB3 MET 1 -5.093 7.997 9.794 5 HG2 MET 1 HG2 MET 1 -5.629 8.620 7.449 6 HG3 MET 1 HG3 MET 1 -4.730 7.106 7.567 7 HE1 MET 1 HE1 MET 1 -8.303 8.714 6.924 8 HE2 MET 1 HE2 MET 1 -8.606 7.660 8.306 9 HE3 MET 1 HE3 MET 1 -9.293 7.269 6.731 10 H THR 2 H THR 2 -5.516 4.273 8.177 11 HA THR 2 HA THR 2 -3.425 2.962 9.559 12 HB THR 2 HB THR 2 -2.907 2.035 7.153 13 HG1 THR 2 HG1 THR 2 -3.918 3.691 5.988 14 HG21 THR 2 HG21 THR 2 -5.664 1.599 8.356 15 HG22 THR 2 HG22 THR 2 -4.192 0.708 8.756 16 HG23 THR 2 HG23 THR 2 -4.894 0.566 7.143 17 H ARG 3 H ARG 3 -1.578 4.016 10.127 18 HA ARG 3 HA ARG 3 -0.065 5.522 8.058 19 HB2 ARG 3 HB2 ARG 3 -0.883 6.774 10.193 20 HB3 ARG 3 HB3 ARG 3 0.323 5.845 11.068 21 HG2 ARG 3 HG2 ARG 3 0.996 7.669 8.718 22 HG3 ARG 3 HG3 ARG 3 0.981 8.216 10.394 23 HD2 ARG 3 HD2 ARG 3 2.782 6.020 9.286 24 HD3 ARG 3 HD3 ARG 3 3.269 7.692 9.582 25 HE ARG 3 HE ARG 3 2.602 7.180 11.996 26 HH11 ARG 3 HH11 ARG 3 3.918 4.733 9.938 27 HH12 ARG 3 HH12 ARG 3 4.657 3.896 11.254 28 HH21 ARG 3 HH21 ARG 3 3.578 6.076 13.638 29 HH22 ARG 3 HH22 ARG 3 4.489 4.648 13.292 30 H VAL 4 H VAL 4 1.670 4.468 7.340 31 HA VAL 4 HA VAL 4 3.036 2.440 9.034 32 HB VAL 4 HB VAL 4 2.525 2.323 6.019 33 HG11 VAL 4 HG11 VAL 4 3.626 0.092 6.067 34 HG12 VAL 4 HG12 VAL 4 4.036 0.329 7.768 35 HG13 VAL 4 HG13 VAL 4 4.748 1.373 6.536 36 HG21 VAL 4 HG21 VAL 4 0.509 1.749 7.302 37 HG22 VAL 4 HG22 VAL 4 1.419 0.571 8.250 38 HG23 VAL 4 HG23 VAL 4 1.168 0.304 6.526 39 H ARG 5 H ARG 5 5.287 2.507 9.062 40 HA ARG 5 HA ARG 5 6.685 4.467 7.315 41 HB2 ARG 5 HB2 ARG 5 6.403 5.290 9.714 42 HB3 ARG 5 HB3 ARG 5 7.406 3.940 10.238 43 HG2 ARG 5 HG2 ARG 5 9.260 4.838 8.792 44 HG3 ARG 5 HG3 ARG 5 8.240 6.230 8.415 45 HD2 ARG 5 HD2 ARG 5 9.751 6.899 10.156 46 HD3 ARG 5 HD3 ARG 5 8.157 6.728 10.896 47 HE ARG 5 HE ARG 5 9.656 4.320 11.125 48 HH11 ARG 5 HH11 ARG 5 9.393 7.467 12.577 49 HH12 ARG 5 HH12 ARG 5 10.140 6.940 14.045 50 HH21 ARG 5 HH21 ARG 5 10.593 3.712 13.009 51 HH22 ARG 5 HH22 ARG 5 10.811 4.858 14.281 52 H SER 6 H SER 6 8.369 3.586 6.214 53 HA SER 6 HA SER 6 9.503 0.978 7.090 54 HB2 SER 6 HB2 SER 6 8.909 1.890 4.239 55 HB3 SER 6 HB3 SER 6 9.765 0.404 4.663 56 HG SER 6 HG SER 6 7.599 0.293 6.064 57 H THR 7 H THR 7 11.695 0.545 6.243 58 HA THR 7 HA THR 7 13.391 2.918 6.477 59 HB THR 7 HB THR 7 15.263 1.051 6.479 60 HG1 THR 7 HG1 THR 7 14.571 -0.942 6.409 61 HG21 THR 7 HG21 THR 7 14.952 0.689 8.890 62 HG22 THR 7 HG22 THR 7 13.291 1.275 8.779 63 HG23 THR 7 HG23 THR 7 14.641 2.373 8.456 64 HA PRO 8 HA PRO 8 14.187 3.188 2.122 65 HB2 PRO 8 HB2 PRO 8 16.350 4.821 2.102 66 HB3 PRO 8 HB3 PRO 8 14.774 5.365 2.697 67 HG2 PRO 8 HG2 PRO 8 17.121 4.373 4.299 68 HG3 PRO 8 HG3 PRO 8 16.165 5.858 4.525 69 HD2 PRO 8 HD2 PRO 8 15.672 3.598 5.950 70 HD3 PRO 8 HD3 PRO 8 14.369 4.711 5.474 71 H GLY 9 H GLY 9 14.895 1.585 0.861 72 HA2 GLY 9 HA2 GLY 9 16.714 0.462 -0.287 73 HA3 GLY 9 HA3 GLY 9 17.593 0.388 1.231 74 H GLY 10 H GLY 10 14.722 -0.336 2.397 75 HA2 GLY 10 HA2 GLY 10 15.082 -3.244 2.179 76 HA3 GLY 10 HA3 GLY 10 14.020 -2.391 3.287 77 H ASP 11 H ASP 11 12.025 -3.213 2.915 78 HA ASP 11 HA ASP 11 10.774 -2.751 0.312 79 HB2 ASP 11 HB2 ASP 11 9.739 -5.022 0.238 80 HB3 ASP 11 HB3 ASP 11 11.490 -5.077 0.071 81 H LEU 12 H LEU 12 8.521 -2.542 0.394 82 HA LEU 12 HA LEU 12 7.367 -1.903 3.028 83 HB2 LEU 12 HB2 LEU 12 7.316 -0.161 1.276 84 HB3 LEU 12 HB3 LEU 12 6.477 -1.252 0.188 85 HG LEU 12 HG LEU 12 4.499 -1.229 1.739 86 HD11 LEU 12 HD11 LEU 12 4.371 0.471 3.518 87 HD12 LEU 12 HD12 LEU 12 6.066 0.880 3.256 88 HD13 LEU 12 HD13 LEU 12 5.623 -0.725 3.844 89 HD21 LEU 12 HD21 LEU 12 3.717 1.035 1.156 90 HD22 LEU 12 HD22 LEU 12 4.545 0.278 -0.203 91 HD23 LEU 12 HD23 LEU 12 5.369 1.513 0.752 92 H GLU 13 H GLU 13 5.525 -2.945 3.809 93 HA GLU 13 HA GLU 13 3.927 -4.655 2.038 94 HB2 GLU 13 HB2 GLU 13 5.577 -6.192 3.144 95 HB3 GLU 13 HB3 GLU 13 4.961 -5.693 4.717 96 HG2 GLU 13 HG2 GLU 13 2.739 -6.607 4.147 97 HG3 GLU 13 HG3 GLU 13 3.335 -7.086 2.560 98 H LEU 14 H LEU 14 1.953 -3.845 2.215 99 HA LEU 14 HA LEU 14 0.964 -2.657 4.738 100 HB2 LEU 14 HB2 LEU 14 -0.060 -2.297 1.886 101 HB3 LEU 14 HB3 LEU 14 -0.636 -1.439 3.312 102 HG LEU 14 HG LEU 14 2.122 -1.164 2.053 103 HD11 LEU 14 HD11 LEU 14 -0.185 0.803 2.130 104 HD12 LEU 14 HD12 LEU 14 0.363 -0.106 0.718 105 HD13 LEU 14 HD13 LEU 14 1.422 1.096 1.451 106 HD21 LEU 14 HD21 LEU 14 2.276 -0.886 4.475 107 HD22 LEU 14 HD22 LEU 14 0.958 0.290 4.451 108 HD23 LEU 14 HD23 LEU 14 2.492 0.660 3.660 109 H VAL 15 H VAL 15 -0.025 -4.350 5.803 110 HA VAL 15 HA VAL 15 -1.965 -6.055 4.343 111 HB VAL 15 HB VAL 15 -0.860 -6.474 7.166 112 HG11 VAL 15 HG11 VAL 15 -2.475 -8.355 5.383 113 HG12 VAL 15 HG12 VAL 15 -3.071 -7.528 6.824 114 HG13 VAL 15 HG13 VAL 15 -1.816 -8.758 6.972 115 HG21 VAL 15 HG21 VAL 15 0.558 -8.259 6.183 116 HG22 VAL 15 HG22 VAL 15 0.959 -6.677 5.514 117 HG23 VAL 15 HG23 VAL 15 -0.001 -7.818 4.568 118 H VAL 16 H VAL 16 -4.046 -5.466 4.503 119 HA VAL 16 HA VAL 16 -4.841 -3.494 6.551 120 HB VAL 16 HB VAL 16 -6.720 -4.236 4.291 121 HG11 VAL 16 HG11 VAL 16 -7.336 -1.850 4.423 122 HG12 VAL 16 HG12 VAL 16 -6.083 -1.580 5.637 123 HG13 VAL 16 HG13 VAL 16 -7.457 -2.626 6.006 124 HG21 VAL 16 HG21 VAL 16 -5.644 -2.611 2.766 125 HG22 VAL 16 HG22 VAL 16 -4.624 -4.009 3.089 126 HG23 VAL 16 HG23 VAL 16 -4.288 -2.475 3.884 127 H HIS 17 H HIS 17 -6.623 -3.765 7.845 128 HA HIS 17 HA HIS 17 -8.089 -6.341 7.816 129 HB2 HIS 17 HB2 HIS 17 -7.009 -4.882 10.277 130 HB3 HIS 17 HB3 HIS 17 -8.059 -6.296 10.324 131 HD1 HIS 17 HD1 HIS 17 -6.998 -8.592 9.649 132 HD2 HIS 17 HD2 HIS 17 -4.299 -5.427 9.755 133 HE1 HIS 17 HE1 HIS 17 -4.722 -9.640 9.560 134 HE2 HIS 17 HE2 HIS 17 -3.121 -7.726 9.796 135 H LEU 18 H LEU 18 -8.679 -3.640 6.727 136 HA LEU 18 HA LEU 18 -10.570 -2.215 8.146 137 HB2 LEU 18 HB2 LEU 18 -11.521 -1.529 5.897 138 HB3 LEU 18 HB3 LEU 18 -9.816 -1.266 6.143 139 HG LEU 18 HG LEU 18 -9.289 -3.215 4.674 140 HD11 LEU 18 HD11 LEU 18 -12.251 -3.397 4.099 141 HD12 LEU 18 HD12 LEU 18 -11.252 -4.614 4.898 142 HD13 LEU 18 HD13 LEU 18 -10.968 -4.222 3.205 143 HD21 LEU 18 HD21 LEU 18 -9.331 -0.956 3.734 144 HD22 LEU 18 HD22 LEU 18 -11.048 -1.120 3.354 145 HD23 LEU 18 HD23 LEU 18 -9.859 -2.138 2.536 146 H SER 19 H SER 19 -12.882 -2.051 7.977 147 HA SER 19 HA SER 19 -14.270 -4.643 8.029 148 HB2 SER 19 HB2 SER 19 -15.166 -1.874 8.942 149 HB3 SER 19 HB3 SER 19 -16.095 -3.361 9.153 150 HG SER 19 HG SER 19 -14.162 -4.134 10.342 151 H GLY 20 H GLY 20 -13.459 -3.125 5.504 152 HA2 GLY 20 HA2 GLY 20 -15.795 -2.264 4.126 153 HA3 GLY 20 HA3 GLY 20 -14.275 -2.725 3.404 154 HA PRO 21 HA PRO 21 -17.537 -6.430 3.607 155 HB2 PRO 21 HB2 PRO 21 -19.594 -5.078 1.912 156 HB3 PRO 21 HB3 PRO 21 -19.788 -6.012 3.399 157 HG2 PRO 21 HG2 PRO 21 -20.096 -3.344 3.400 158 HG3 PRO 21 HG3 PRO 21 -19.342 -4.183 4.776 159 HD2 PRO 21 HD2 PRO 21 -18.003 -2.695 2.503 160 HD3 PRO 21 HD3 PRO 21 -17.675 -2.611 4.253 161 H GLY 22 H GLY 22 -16.109 -7.552 2.308 162 HA2 GLY 22 HA2 GLY 22 -15.722 -8.926 0.501 163 HA3 GLY 22 HA3 GLY 22 -17.050 -8.154 -0.340 164 H GLY 23 H GLY 23 -15.404 -8.672 -2.104 165 HA2 GLY 23 HA2 GLY 23 -13.460 -6.453 -2.514 166 HA3 GLY 23 HA3 GLY 23 -13.360 -8.041 -3.263 167 HA PRO 24 HA PRO 24 -12.134 -6.765 -4.791 168 HB2 PRO 24 HB2 PRO 24 -11.474 -5.248 -6.927 169 HB3 PRO 24 HB3 PRO 24 -12.223 -6.841 -7.119 170 HG2 PRO 24 HG2 PRO 24 -13.464 -4.119 -7.366 171 HG3 PRO 24 HG3 PRO 24 -13.766 -5.584 -8.323 172 HD2 PRO 24 HD2 PRO 24 -15.344 -4.668 -6.161 173 HD3 PRO 24 HD3 PRO 24 -15.407 -6.296 -6.866 174 H VAL 25 H VAL 25 -11.143 -5.716 -3.143 175 HA VAL 25 HA VAL 25 -11.363 -2.850 -2.705 176 HB VAL 25 HB VAL 25 -9.460 -4.811 -1.351 177 HG11 VAL 25 HG11 VAL 25 -10.478 -2.090 -0.435 178 HG12 VAL 25 HG12 VAL 25 -8.851 -2.449 -1.015 179 HG13 VAL 25 HG13 VAL 25 -9.425 -3.162 0.492 180 HG21 VAL 25 HG21 VAL 25 -12.280 -4.059 -0.480 181 HG22 VAL 25 HG22 VAL 25 -11.142 -5.035 0.451 182 HG23 VAL 25 HG23 VAL 25 -11.762 -5.635 -1.087 183 H ARG 26 H ARG 26 -10.144 -1.422 -3.795 184 HA ARG 26 HA ARG 26 -7.975 -2.382 -5.546 185 HB2 ARG 26 HB2 ARG 26 -9.625 0.180 -5.595 186 HB3 ARG 26 HB3 ARG 26 -8.422 -0.270 -6.806 187 HG2 ARG 26 HG2 ARG 26 -9.774 -2.154 -7.534 188 HG3 ARG 26 HG3 ARG 26 -10.919 -1.906 -6.212 189 HD2 ARG 26 HD2 ARG 26 -11.559 0.280 -7.173 190 HD3 ARG 26 HD3 ARG 26 -10.400 0.047 -8.482 191 HE ARG 26 HE ARG 26 -11.861 -1.371 -9.519 192 HH11 ARG 26 HH11 ARG 26 -12.997 -1.010 -6.260 193 HH12 ARG 26 HH12 ARG 26 -14.562 -1.631 -6.636 194 HH21 ARG 26 HH21 ARG 26 -13.868 -2.160 -9.958 195 HH22 ARG 26 HH22 ARG 26 -15.047 -2.273 -8.695 196 H TRP 27 H TRP 27 -5.912 -1.607 -5.424 197 HA TRP 27 HA TRP 27 -5.167 0.229 -3.245 198 HB2 TRP 27 HB2 TRP 27 -3.628 -1.762 -4.952 199 HB3 TRP 27 HB3 TRP 27 -2.776 -0.531 -4.022 200 HD1 TRP 27 HD1 TRP 27 -4.468 -3.900 -3.603 201 HE1 TRP 27 HE1 TRP 27 -4.208 -4.632 -1.150 202 HE3 TRP 27 HE3 TRP 27 -2.801 0.506 -1.628 203 HZ2 TRP 27 HZ2 TRP 27 -3.419 -3.475 1.301 204 HZ3 TRP 27 HZ3 TRP 27 -2.338 0.623 0.795 205 HH2 TRP 27 HH2 TRP 27 -2.645 -1.333 2.223 206 H TYR 28 H TYR 28 -4.749 2.338 -3.690 207 HA TYR 28 HA TYR 28 -3.857 3.150 -6.416 208 HB2 TYR 28 HB2 TYR 28 -5.456 4.796 -4.403 209 HB3 TYR 28 HB3 TYR 28 -4.924 5.356 -5.985 210 HD1 TYR 28 HD1 TYR 28 -6.025 4.471 -8.054 211 HD2 TYR 28 HD2 TYR 28 -7.413 3.336 -4.175 212 HE1 TYR 28 HE1 TYR 28 -8.127 3.678 -9.038 213 HE2 TYR 28 HE2 TYR 28 -9.504 2.530 -5.176 214 HH TYR 28 HH TYR 28 -10.854 2.887 -7.147 215 H LYS 29 H LYS 29 -1.902 4.237 -6.531 216 HA LYS 29 HA LYS 29 -0.770 5.415 -4.033 217 HB2 LYS 29 HB2 LYS 29 0.611 3.563 -4.658 218 HB3 LYS 29 HB3 LYS 29 0.645 4.036 -6.337 219 HG2 LYS 29 HG2 LYS 29 2.793 4.507 -5.302 220 HG3 LYS 29 HG3 LYS 29 2.023 6.008 -5.776 221 HD2 LYS 29 HD2 LYS 29 1.570 6.641 -3.545 222 HD3 LYS 29 HD3 LYS 29 1.742 4.994 -2.934 223 HE2 LYS 29 HE2 LYS 29 3.638 6.418 -2.264 224 HE3 LYS 29 HE3 LYS 29 4.163 5.087 -3.273 225 HZ1 LYS 29 HZ1 LYS 29 3.776 7.881 -4.161 226 HZ2 LYS 29 HZ2 LYS 29 4.282 6.601 -5.141 227 HZ3 LYS 29 HZ3 LYS 29 5.256 7.125 -3.863 228 H ASP 30 H ASP 30 -0.447 7.537 -4.071 229 HA ASP 30 HA ASP 30 -0.254 9.704 -4.667 230 HB2 ASP 30 HB2 ASP 30 0.879 8.607 -7.266 231 HB3 ASP 30 HB3 ASP 30 0.981 10.281 -6.761 232 H GLY 31 H GLY 31 -2.649 7.923 -5.861 233 HA2 GLY 31 HA2 GLY 31 -4.669 9.348 -6.411 234 HA3 GLY 31 HA3 GLY 31 -3.710 9.968 -7.744 235 H GLU 32 H GLU 32 -2.591 7.032 -8.082 236 HA GLU 32 HA GLU 32 -4.967 6.016 -9.554 237 HB2 GLU 32 HB2 GLU 32 -3.742 5.661 -11.590 238 HB3 GLU 32 HB3 GLU 32 -3.558 7.343 -11.126 239 HG2 GLU 32 HG2 GLU 32 -1.461 5.210 -10.644 240 HG3 GLU 32 HG3 GLU 32 -1.492 6.251 -12.067 241 H ARG 33 H ARG 33 -4.912 3.829 -10.179 242 HA ARG 33 HA ARG 33 -4.207 2.270 -7.936 243 HB2 ARG 33 HB2 ARG 33 -5.360 0.419 -8.947 244 HB3 ARG 33 HB3 ARG 33 -6.304 1.874 -9.150 245 HG2 ARG 33 HG2 ARG 33 -4.522 0.854 -11.368 246 HG3 ARG 33 HG3 ARG 33 -6.150 0.204 -11.138 247 HD2 ARG 33 HD2 ARG 33 -7.085 2.475 -11.395 248 HD3 ARG 33 HD3 ARG 33 -5.457 3.122 -11.623 249 HE ARG 33 HE ARG 33 -5.384 1.565 -13.630 250 HH11 ARG 33 HH11 ARG 33 -8.365 2.962 -12.559 251 HH12 ARG 33 HH12 ARG 33 -9.037 2.992 -14.152 252 HH21 ARG 33 HH21 ARG 33 -6.277 1.598 -15.642 253 HH22 ARG 33 HH22 ARG 33 -7.871 2.227 -15.869 254 H LEU 34 H LEU 34 -3.102 0.303 -7.796 255 HA LEU 34 HA LEU 34 -0.712 -0.010 -9.490 256 HB2 LEU 34 HB2 LEU 34 -1.297 -1.198 -6.746 257 HB3 LEU 34 HB3 LEU 34 0.219 -1.318 -7.626 258 HG LEU 34 HG LEU 34 -0.958 1.128 -6.253 259 HD11 LEU 34 HD11 LEU 34 1.687 -0.308 -5.928 260 HD12 LEU 34 HD12 LEU 34 0.317 -0.333 -4.813 261 HD13 LEU 34 HD13 LEU 34 1.205 1.166 -5.077 262 HD21 LEU 34 HD21 LEU 34 0.947 2.454 -7.163 263 HD22 LEU 34 HD22 LEU 34 -0.161 1.933 -8.427 264 HD23 LEU 34 HD23 LEU 34 1.381 1.100 -8.209 265 H ALA 35 H ALA 35 -0.024 -2.267 -9.955 266 HA ALA 35 HA ALA 35 -2.235 -4.242 -10.170 267 HB1 ALA 35 HB1 ALA 35 -1.833 -3.194 -12.375 268 HB2 ALA 35 HB2 ALA 35 -1.381 -4.898 -12.389 269 HB3 ALA 35 HB3 ALA 35 -0.131 -3.654 -12.295 270 H SER 36 H SER 36 -1.556 -6.488 -10.139 271 HA SER 36 HA SER 36 0.588 -7.025 -8.315 272 HB2 SER 36 HB2 SER 36 -0.095 -9.411 -8.525 273 HB3 SER 36 HB3 SER 36 -1.477 -8.359 -8.226 274 HG SER 36 HG SER 36 -0.757 -9.761 -10.544 275 H GLN 37 H GLN 37 2.392 -6.217 -9.425 276 HA GLN 37 HA GLN 37 3.466 -7.839 -11.671 277 HB2 GLN 37 HB2 GLN 37 4.227 -5.017 -10.795 278 HB3 GLN 37 HB3 GLN 37 4.849 -5.869 -12.211 279 HG2 GLN 37 HG2 GLN 37 2.554 -5.882 -13.179 280 HG3 GLN 37 HG3 GLN 37 1.974 -4.988 -11.774 281 HE21 GLN 37 HE21 GLN 37 3.882 -4.801 -14.699 282 HE22 GLN 37 HE22 GLN 37 3.971 -3.078 -14.763 283 H GLY 38 H GLY 38 6.090 -7.517 -11.581 284 HA2 GLY 38 HA2 GLY 38 7.036 -9.256 -9.583 285 HA3 GLY 38 HA3 GLY 38 8.039 -8.285 -10.644 286 H ARG 39 H ARG 39 7.319 -5.719 -9.793 287 HA ARG 39 HA ARG 39 8.707 -5.526 -7.217 288 HB2 ARG 39 HB2 ARG 39 7.857 -3.347 -9.170 289 HB3 ARG 39 HB3 ARG 39 8.850 -3.100 -7.731 290 HG2 ARG 39 HG2 ARG 39 10.637 -4.488 -8.690 291 HG3 ARG 39 HG3 ARG 39 9.637 -4.826 -10.108 292 HD2 ARG 39 HD2 ARG 39 10.661 -2.090 -9.268 293 HD3 ARG 39 HD3 ARG 39 11.318 -3.082 -10.569 294 HE ARG 39 HE ARG 39 9.037 -2.851 -11.625 295 HH11 ARG 39 HH11 ARG 39 10.221 -0.351 -9.542 296 HH12 ARG 39 HH12 ARG 39 9.319 0.872 -10.360 297 HH21 ARG 39 HH21 ARG 39 7.925 -1.252 -12.644 298 HH22 ARG 39 HH22 ARG 39 8.067 0.379 -12.088 299 H VAL 40 H VAL 40 5.466 -5.492 -8.322 300 HA VAL 40 HA VAL 40 4.505 -4.182 -5.833 301 HB VAL 40 HB VAL 40 3.160 -4.007 -8.577 302 HG11 VAL 40 HG11 VAL 40 2.403 -2.647 -5.966 303 HG12 VAL 40 HG12 VAL 40 1.530 -3.976 -6.732 304 HG13 VAL 40 HG13 VAL 40 1.610 -2.403 -7.525 305 HG21 VAL 40 HG21 VAL 40 5.206 -2.619 -8.536 306 HG22 VAL 40 HG22 VAL 40 4.650 -1.817 -7.066 307 HG23 VAL 40 HG23 VAL 40 3.762 -1.603 -8.576 308 H GLN 41 H GLN 41 4.420 -6.301 -4.872 309 HA GLN 41 HA GLN 41 2.835 -8.431 -6.094 310 HB2 GLN 41 HB2 GLN 41 4.223 -8.383 -3.384 311 HB3 GLN 41 HB3 GLN 41 3.583 -9.808 -4.204 312 HG2 GLN 41 HG2 GLN 41 5.249 -9.495 -6.012 313 HG3 GLN 41 HG3 GLN 41 5.901 -8.089 -5.167 314 HE21 GLN 41 HE21 GLN 41 7.081 -8.432 -3.217 315 HE22 GLN 41 HE22 GLN 41 7.726 -9.985 -2.827 316 H LEU 42 H LEU 42 0.718 -8.830 -5.663 317 HA LEU 42 HA LEU 42 -0.613 -7.451 -3.396 318 HB2 LEU 42 HB2 LEU 42 -1.647 -7.975 -6.209 319 HB3 LEU 42 HB3 LEU 42 -2.680 -7.440 -4.890 320 HG LEU 42 HG LEU 42 -0.337 -5.856 -6.038 321 HD11 LEU 42 HD11 LEU 42 -2.218 -5.937 -7.613 322 HD12 LEU 42 HD12 LEU 42 -2.045 -4.322 -6.931 323 HD13 LEU 42 HD13 LEU 42 -3.325 -5.390 -6.349 324 HD21 LEU 42 HD21 LEU 42 -1.147 -4.009 -4.608 325 HD22 LEU 42 HD22 LEU 42 -0.630 -5.393 -3.651 326 HD23 LEU 42 HD23 LEU 42 -2.350 -5.085 -3.894 327 H GLU 43 H GLU 43 -0.540 -9.275 -1.939 328 HA GLU 43 HA GLU 43 -2.183 -11.608 -2.627 329 HB2 GLU 43 HB2 GLU 43 -1.006 -10.769 0.056 330 HB3 GLU 43 HB3 GLU 43 -1.963 -12.220 -0.190 331 HG2 GLU 43 HG2 GLU 43 0.144 -13.112 -0.293 332 HG3 GLU 43 HG3 GLU 43 -0.114 -12.777 -1.997 333 H GLN 44 H GLN 44 -4.235 -11.017 -3.024 334 HA GLN 44 HA GLN 44 -5.626 -9.111 -1.232 335 HB2 GLN 44 HB2 GLN 44 -7.090 -8.717 -3.333 336 HB3 GLN 44 HB3 GLN 44 -5.470 -8.039 -3.308 337 HG2 GLN 44 HG2 GLN 44 -4.663 -9.874 -4.735 338 HG3 GLN 44 HG3 GLN 44 -6.277 -10.579 -4.756 339 HE21 GLN 44 HE21 GLN 44 -7.693 -8.058 -5.041 340 HE22 GLN 44 HE22 GLN 44 -7.387 -7.493 -6.639 341 H ALA 45 H ALA 45 -7.022 -10.020 0.059 342 HA ALA 45 HA ALA 45 -8.635 -12.391 -0.746 343 HB1 ALA 45 HB1 ALA 45 -8.310 -13.292 1.535 344 HB2 ALA 45 HB2 ALA 45 -7.290 -11.909 1.948 345 HB3 ALA 45 HB3 ALA 45 -6.761 -13.061 0.722 346 H GLY 46 H GLY 46 -10.119 -12.552 1.706 347 HA2 GLY 46 HA2 GLY 46 -11.970 -10.320 1.545 348 HA3 GLY 46 HA3 GLY 46 -12.086 -11.715 2.609 349 H ALA 47 H ALA 47 -11.495 -8.433 2.500 350 HA ALA 47 HA ALA 47 -10.966 -6.803 3.949 351 HB1 ALA 47 HB1 ALA 47 -12.148 -8.079 5.696 352 HB2 ALA 47 HB2 ALA 47 -10.786 -7.172 6.360 353 HB3 ALA 47 HB3 ALA 47 -10.650 -8.915 6.103 354 H ARG 48 H ARG 48 -8.750 -9.546 4.589 355 HA ARG 48 HA ARG 48 -6.398 -8.004 4.908 356 HB2 ARG 48 HB2 ARG 48 -6.438 -10.232 5.801 357 HB3 ARG 48 HB3 ARG 48 -6.833 -10.932 4.235 358 HG2 ARG 48 HG2 ARG 48 -4.604 -10.362 3.380 359 HG3 ARG 48 HG3 ARG 48 -4.194 -9.575 4.905 360 HD2 ARG 48 HD2 ARG 48 -4.024 -11.624 6.062 361 HD3 ARG 48 HD3 ARG 48 -5.005 -12.489 4.879 362 HE ARG 48 HE ARG 48 -3.168 -12.668 3.455 363 HH11 ARG 48 HH11 ARG 48 -2.197 -11.012 6.356 364 HH12 ARG 48 HH12 ARG 48 -0.520 -11.257 6.026 365 HH21 ARG 48 HH21 ARG 48 -1.045 -12.922 3.086 366 HH22 ARG 48 HH22 ARG 48 0.118 -12.317 4.213 367 H GLN 49 H GLN 49 -5.999 -6.558 3.302 368 HA GLN 49 HA GLN 49 -5.364 -7.578 0.579 369 HB2 GLN 49 HB2 GLN 49 -5.703 -4.667 1.425 370 HB3 GLN 49 HB3 GLN 49 -5.599 -5.292 -0.219 371 HG2 GLN 49 HG2 GLN 49 -7.887 -5.725 1.727 372 HG3 GLN 49 HG3 GLN 49 -7.883 -4.627 0.357 373 HE21 GLN 49 HE21 GLN 49 -9.668 -6.858 0.973 374 HE22 GLN 49 HE22 GLN 49 -9.596 -7.904 -0.395 375 H VAL 50 H VAL 50 -3.194 -7.693 0.074 376 HA VAL 50 HA VAL 50 -1.242 -6.350 1.874 377 HB VAL 50 HB VAL 50 -0.872 -9.025 0.457 378 HG11 VAL 50 HG11 VAL 50 1.187 -9.245 1.807 379 HG12 VAL 50 HG12 VAL 50 0.927 -7.631 2.474 380 HG13 VAL 50 HG13 VAL 50 1.257 -7.831 0.752 381 HG21 VAL 50 HG21 VAL 50 -1.387 -8.490 3.410 382 HG22 VAL 50 HG22 VAL 50 -1.026 -10.064 2.696 383 HG23 VAL 50 HG23 VAL 50 -2.523 -9.228 2.277 384 H LEU 51 H LEU 51 -0.425 -4.654 0.782 385 HA LEU 51 HA LEU 51 0.432 -4.925 -2.038 386 HB2 LEU 51 HB2 LEU 51 -1.009 -3.019 -1.612 387 HB3 LEU 51 HB3 LEU 51 -0.025 -2.486 -0.272 388 HG LEU 51 HG LEU 51 0.079 -1.149 -2.536 389 HD11 LEU 51 HD11 LEU 51 2.412 -0.533 -2.218 390 HD12 LEU 51 HD12 LEU 51 2.697 -1.971 -1.235 391 HD13 LEU 51 HD13 LEU 51 1.601 -0.714 -0.662 392 HD21 LEU 51 HD21 LEU 51 1.905 -3.461 -3.281 393 HD22 LEU 51 HD22 LEU 51 1.721 -1.947 -4.171 394 HD23 LEU 51 HD23 LEU 51 0.362 -3.056 -4.034 395 H ARG 52 H ARG 52 2.527 -5.329 -2.435 396 HA ARG 52 HA ARG 52 4.562 -4.756 -0.345 397 HB2 ARG 52 HB2 ARG 52 4.477 -7.115 -2.270 398 HB3 ARG 52 HB3 ARG 52 5.738 -6.806 -1.074 399 HG2 ARG 52 HG2 ARG 52 4.210 -7.197 0.748 400 HG3 ARG 52 HG3 ARG 52 2.828 -7.249 -0.349 401 HD2 ARG 52 HD2 ARG 52 3.433 -9.498 0.345 402 HD3 ARG 52 HD3 ARG 52 3.723 -9.296 -1.385 403 HE ARG 52 HE ARG 52 6.111 -8.744 -0.083 404 HH11 ARG 52 HH11 ARG 52 4.040 -11.487 -0.523 405 HH12 ARG 52 HH12 ARG 52 5.342 -12.612 -0.333 406 HH21 ARG 52 HH21 ARG 52 7.729 -10.186 0.145 407 HH22 ARG 52 HH22 ARG 52 7.412 -11.880 0.041 408 H VAL 53 H VAL 53 5.698 -3.029 -1.071 409 HA VAL 53 HA VAL 53 6.483 -2.822 -3.893 410 HB VAL 53 HB VAL 53 7.015 -0.866 -1.612 411 HG11 VAL 53 HG11 VAL 53 7.466 -0.556 -4.606 412 HG12 VAL 53 HG12 VAL 53 8.721 -0.671 -3.370 413 HG13 VAL 53 HG13 VAL 53 7.648 0.727 -3.411 414 HG21 VAL 53 HG21 VAL 53 4.609 -1.019 -2.142 415 HG22 VAL 53 HG22 VAL 53 4.948 -0.737 -3.851 416 HG23 VAL 53 HG23 VAL 53 5.259 0.536 -2.667 417 H GLN 54 H GLN 54 8.229 -3.828 -4.519 418 HA GLN 54 HA GLN 54 10.331 -4.785 -2.801 419 HB2 GLN 54 HB2 GLN 54 9.472 -6.115 -4.689 420 HB3 GLN 54 HB3 GLN 54 9.942 -4.852 -5.819 421 HG2 GLN 54 HG2 GLN 54 12.315 -5.275 -5.299 422 HG3 GLN 54 HG3 GLN 54 11.842 -6.547 -4.171 423 HE21 GLN 54 HE21 GLN 54 10.934 -8.482 -5.029 424 HE22 GLN 54 HE22 GLN 54 11.163 -8.926 -6.678 425 H GLY 55 H GLY 55 12.164 -3.676 -2.306 426 HA2 GLY 55 HA2 GLY 55 13.955 -2.229 -2.434 427 HA3 GLY 55 HA3 GLY 55 13.539 -1.893 -4.105 428 H ALA 56 H ALA 56 11.652 -1.419 -1.115 429 HA ALA 56 HA ALA 56 10.648 1.122 -1.889 430 HB1 ALA 56 HB1 ALA 56 10.621 -0.175 0.854 431 HB2 ALA 56 HB2 ALA 56 9.402 -0.386 -0.404 432 HB3 ALA 56 HB3 ALA 56 9.626 1.196 0.347 433 H ARG 57 H ARG 57 11.794 2.973 -1.950 434 HA ARG 57 HA ARG 57 13.537 3.772 0.241 435 HB2 ARG 57 HB2 ARG 57 14.912 2.389 -1.457 436 HB3 ARG 57 HB3 ARG 57 14.703 3.719 -2.583 437 HG2 ARG 57 HG2 ARG 57 15.952 4.132 0.151 438 HG3 ARG 57 HG3 ARG 57 16.908 3.557 -1.209 439 HD2 ARG 57 HD2 ARG 57 16.620 5.603 -2.407 440 HD3 ARG 57 HD3 ARG 57 15.320 6.133 -1.343 441 HE ARG 57 HE ARG 57 16.858 6.940 0.120 442 HH11 ARG 57 HH11 ARG 57 18.611 4.839 -2.024 443 HH12 ARG 57 HH12 ARG 57 20.141 5.349 -1.406 444 HH21 ARG 57 HH21 ARG 57 18.805 7.543 0.864 445 HH22 ARG 57 HH22 ARG 57 20.248 6.851 0.209 446 H SER 58 H SER 58 12.822 4.810 -3.171 447 HA SER 58 HA SER 58 12.994 7.622 -2.262 448 HB2 SER 58 HB2 SER 58 14.499 6.975 -4.100 449 HB3 SER 58 HB3 SER 58 13.118 6.478 -5.079 450 HG SER 58 HG SER 58 13.228 8.477 -5.758 451 H GLY 59 H GLY 59 11.133 6.531 -5.132 452 HA2 GLY 59 HA2 GLY 59 8.960 8.342 -4.467 453 HA3 GLY 59 HA3 GLY 59 9.109 7.369 -5.921 454 H ASP 60 H ASP 60 9.567 5.419 -3.276 455 HA ASP 60 HA ASP 60 7.007 4.080 -3.557 456 HB2 ASP 60 HB2 ASP 60 9.294 3.350 -1.680 457 HB3 ASP 60 HB3 ASP 60 8.070 2.284 -2.382 458 H ALA 61 H ALA 61 8.189 6.575 -1.646 459 HA ALA 61 HA ALA 61 6.427 6.154 0.652 460 HB1 ALA 61 HB1 ALA 61 7.351 8.312 1.445 461 HB2 ALA 61 HB2 ALA 61 8.239 8.496 -0.071 462 HB3 ALA 61 HB3 ALA 61 8.639 7.178 1.033 463 H GLY 62 H GLY 62 4.399 6.923 0.716 464 HA2 GLY 62 HA2 GLY 62 3.358 9.298 -0.157 465 HA3 GLY 62 HA3 GLY 62 3.176 8.227 -1.534 466 H GLU 63 H GLU 63 0.870 8.963 -0.937 467 HA GLU 63 HA GLU 63 -0.417 7.474 1.208 468 HB2 GLU 63 HB2 GLU 63 -1.677 9.136 -1.012 469 HB3 GLU 63 HB3 GLU 63 -2.474 8.556 0.452 470 HG2 GLU 63 HG2 GLU 63 -1.068 10.011 1.831 471 HG3 GLU 63 HG3 GLU 63 -0.167 10.536 0.408 472 H TYR 64 H TYR 64 -1.194 5.479 0.983 473 HA TYR 64 HA TYR 64 -1.835 4.361 -1.684 474 HB2 TYR 64 HB2 TYR 64 -0.984 2.961 0.878 475 HB3 TYR 64 HB3 TYR 64 -1.560 2.115 -0.551 476 HD1 TYR 64 HD2 TYR 64 1.203 4.321 0.718 477 HD2 TYR 64 HD1 TYR 64 -0.077 1.637 -2.361 478 HE1 TYR 64 HE2 TYR 64 3.502 4.205 -0.150 479 HE2 TYR 64 HE1 TYR 64 2.214 1.534 -3.223 480 HH TYR 64 HH TYR 64 4.891 2.689 -1.497 481 H LEU 65 H LEU 65 -3.982 4.447 -2.030 482 HA LEU 65 HA LEU 65 -5.895 4.478 0.179 483 HB2 LEU 65 HB2 LEU 65 -6.048 6.203 -1.578 484 HB3 LEU 65 HB3 LEU 65 -6.229 4.960 -2.805 485 HG LEU 65 HG LEU 65 -8.423 4.302 -1.825 486 HD11 LEU 65 HD11 LEU 65 -9.507 5.719 -0.124 487 HD12 LEU 65 HD12 LEU 65 -8.009 6.628 0.084 488 HD13 LEU 65 HD13 LEU 65 -8.072 4.914 0.510 489 HD21 LEU 65 HD21 LEU 65 -8.353 5.935 -3.670 490 HD22 LEU 65 HD22 LEU 65 -8.239 7.260 -2.509 491 HD23 LEU 65 HD23 LEU 65 -9.696 6.267 -2.576 492 H CYS 66 H CYS 66 -6.180 2.400 0.880 493 HA CYS 66 HA CYS 66 -6.800 0.165 -0.882 494 HB2 CYS 66 HB2 CYS 66 -5.601 -0.153 1.286 495 HB3 CYS 66 HB3 CYS 66 -7.035 0.393 2.151 496 HG CYS 66 HG CYS 66 -6.538 -2.534 0.493 497 H ASP 67 H ASP 67 -8.617 0.754 -2.007 498 HA ASP 67 HA ASP 67 -10.947 1.956 -0.721 499 HB2 ASP 67 HB2 ASP 67 -9.888 3.104 -2.624 500 HB3 ASP 67 HB3 ASP 67 -10.123 1.685 -3.634 501 H ALA 68 H ALA 68 -12.000 0.228 0.204 502 HA ALA 68 HA ALA 68 -12.805 -2.176 -1.167 503 HB1 ALA 68 HB1 ALA 68 -13.768 -0.972 1.457 504 HB2 ALA 68 HB2 ALA 68 -12.435 -2.110 1.272 505 HB3 ALA 68 HB3 ALA 68 -14.080 -2.626 0.906 506 HA PRO 69 HA PRO 69 -16.754 -1.137 -3.201 507 HB2 PRO 69 HB2 PRO 69 -17.927 -3.219 -1.327 508 HB3 PRO 69 HB3 PRO 69 -18.211 -2.989 -3.064 509 HG2 PRO 69 HG2 PRO 69 -16.543 -4.884 -2.255 510 HG3 PRO 69 HG3 PRO 69 -16.107 -3.872 -3.651 511 HD2 PRO 69 HD2 PRO 69 -15.063 -3.773 -0.830 512 HD3 PRO 69 HD3 PRO 69 -14.212 -3.467 -2.361 513 H GLN 70 H GLN 70 -16.838 -1.335 0.368 514 HA GLN 70 HA GLN 70 -18.441 1.127 0.465 515 HB2 GLN 70 HB2 GLN 70 -19.883 -1.120 0.636 516 HB3 GLN 70 HB3 GLN 70 -19.311 -1.141 2.294 517 HG2 GLN 70 HG2 GLN 70 -20.838 1.185 1.062 518 HG3 GLN 70 HG3 GLN 70 -21.612 -0.145 1.908 519 HE21 GLN 70 HE21 GLN 70 -19.719 2.761 2.266 520 HE22 GLN 70 HE22 GLN 70 -19.863 2.882 3.979 521 H ASP 71 H ASP 71 -15.775 0.955 0.862 522 HA ASP 71 HA ASP 71 -15.431 2.442 3.220 523 HB2 ASP 71 HB2 ASP 71 -15.515 0.171 4.340 524 HB3 ASP 71 HB3 ASP 71 -14.110 -0.313 3.396 525 H SER 72 H SER 72 -13.100 3.194 3.434 526 HA SER 72 HA SER 72 -11.130 2.266 1.544 527 HB2 SER 72 HB2 SER 72 -10.771 4.451 0.388 528 HB3 SER 72 HB3 SER 72 -12.347 3.756 0.026 529 HG SER 72 HG SER 72 -12.193 6.085 0.585 530 H ARG 73 H ARG 73 -9.259 2.281 2.607 531 HA ARG 73 HA ARG 73 -8.839 4.138 4.878 532 HB2 ARG 73 HB2 ARG 73 -7.441 1.486 4.296 533 HB3 ARG 73 HB3 ARG 73 -7.189 2.491 5.718 534 HG2 ARG 73 HG2 ARG 73 -9.778 1.060 5.012 535 HG3 ARG 73 HG3 ARG 73 -8.580 0.496 6.175 536 HD2 ARG 73 HD2 ARG 73 -10.275 1.471 7.505 537 HD3 ARG 73 HD3 ARG 73 -9.025 2.716 7.442 538 HE ARG 73 HE ARG 73 -10.807 3.218 5.369 539 HH11 ARG 73 HH11 ARG 73 -11.005 3.160 8.813 540 HH12 ARG 73 HH12 ARG 73 -12.223 4.384 8.852 541 HH21 ARG 73 HH21 ARG 73 -12.332 4.774 5.456 542 HH22 ARG 73 HH22 ARG 73 -12.955 5.291 6.981 543 H ILE 74 H ILE 74 -7.305 5.665 4.711 544 HA ILE 74 HA ILE 74 -5.494 5.762 2.408 545 HB ILE 74 HB ILE 74 -6.060 7.781 4.637 546 HG12 ILE 74 HG12 ILE 74 -6.848 9.223 2.640 547 HG13 ILE 74 HG13 ILE 74 -6.750 7.772 1.652 548 HG21 ILE 74 HG21 ILE 74 -4.054 8.077 2.358 549 HG22 ILE 74 HG22 ILE 74 -3.698 8.001 4.086 550 HG23 ILE 74 HG23 ILE 74 -4.564 9.387 3.430 551 HD11 ILE 74 HD11 ILE 74 -8.533 8.157 4.059 552 HD12 ILE 74 HD12 ILE 74 -8.474 6.722 3.030 553 HD13 ILE 74 HD13 ILE 74 -9.024 8.262 2.369 554 H PHE 75 H PHE 75 -3.487 4.925 2.556 555 HA PHE 75 HA PHE 75 -2.243 4.420 5.175 556 HB2 PHE 75 HB2 PHE 75 -1.718 3.321 2.402 557 HB3 PHE 75 HB3 PHE 75 -0.518 3.150 3.672 558 HD1 PHE 75 HD2 PHE 75 -4.121 2.397 2.904 559 HD2 PHE 75 HD1 PHE 75 -0.621 1.308 5.110 560 HE1 PHE 75 HE2 PHE 75 -5.241 0.353 3.697 561 HE2 PHE 75 HE1 PHE 75 -1.751 -0.726 5.895 562 HZ PHE 75 HZ PHE 75 -4.054 -1.205 5.190 563 H LEU 76 H LEU 76 -1.389 6.355 5.796 564 HA LEU 76 HA LEU 76 0.254 7.996 4.063 565 HB2 LEU 76 HB2 LEU 76 -0.108 8.020 7.093 566 HB3 LEU 76 HB3 LEU 76 0.774 9.239 6.180 567 HG LEU 76 HG LEU 76 -2.206 8.669 5.858 568 HD11 LEU 76 HD11 LEU 76 -0.868 10.959 7.333 569 HD12 LEU 76 HD12 LEU 76 -1.762 9.625 8.069 570 HD13 LEU 76 HD13 LEU 76 -2.600 10.785 7.040 571 HD21 LEU 76 HD21 LEU 76 -2.260 10.757 4.542 572 HD22 LEU 76 HD22 LEU 76 -1.200 9.563 3.800 573 HD23 LEU 76 HD23 LEU 76 -0.509 10.915 4.700 574 H VAL 77 H VAL 77 1.849 6.690 3.265 575 HA VAL 77 HA VAL 77 3.644 5.262 5.126 576 HB VAL 77 HB VAL 77 3.345 4.915 2.110 577 HG11 VAL 77 HG11 VAL 77 5.638 4.380 2.834 578 HG12 VAL 77 HG12 VAL 77 4.780 2.906 2.389 579 HG13 VAL 77 HG13 VAL 77 5.013 3.306 4.091 580 HG21 VAL 77 HG21 VAL 77 2.273 2.743 2.661 581 HG22 VAL 77 HG22 VAL 77 1.354 4.102 3.310 582 HG23 VAL 77 HG23 VAL 77 2.368 3.132 4.382 583 H SER 78 H SER 78 5.315 6.472 5.713 584 HA SER 78 HA SER 78 6.834 7.992 3.660 585 HB2 SER 78 HB2 SER 78 7.860 9.208 5.585 586 HB3 SER 78 HB3 SER 78 6.108 9.400 5.541 587 HG SER 78 HG SER 78 7.712 8.148 7.410 588 H VAL 79 H VAL 79 8.373 6.666 2.841 589 HA VAL 79 HA VAL 79 9.795 4.734 4.494 590 HB VAL 79 HB VAL 79 10.375 5.568 1.606 591 HG11 VAL 79 HG11 VAL 79 11.571 3.401 1.458 592 HG12 VAL 79 HG12 VAL 79 11.254 3.107 3.169 593 HG13 VAL 79 HG13 VAL 79 12.284 4.455 2.682 594 HG21 VAL 79 HG21 VAL 79 8.076 4.680 1.772 595 HG22 VAL 79 HG22 VAL 79 8.670 3.240 2.602 596 HG23 VAL 79 HG23 VAL 79 9.117 3.537 0.919 597 H GLU 80 H GLU 80 11.190 5.585 5.919 598 HA GLU 80 HA GLU 80 13.197 7.570 5.241 599 HB2 GLU 80 HB2 GLU 80 12.475 9.234 6.904 600 HB3 GLU 80 HB3 GLU 80 11.196 8.990 5.718 601 HG2 GLU 80 HG2 GLU 80 9.911 7.649 7.271 602 HG3 GLU 80 HG3 GLU 80 11.234 7.637 8.437 603 H GLU 81 H GLU 81 14.310 8.260 7.465 604 HA GLU 81 HA GLU 81 15.642 7.700 9.193 605 HB2 GLU 81 HB2 GLU 81 13.448 7.392 10.357 606 HB3 GLU 81 HB3 GLU 81 13.458 5.694 9.898 607 HG2 GLU 81 HG2 GLU 81 15.455 5.310 11.274 608 HG3 GLU 81 HG3 GLU 81 15.513 7.024 11.695 609 HA PRO 82 HA PRO 82 17.556 4.441 6.548 610 HB2 PRO 82 HB2 PRO 82 20.200 5.104 7.082 611 HB3 PRO 82 HB3 PRO 82 19.189 5.923 5.884 612 HG2 PRO 82 HG2 PRO 82 19.803 6.732 8.726 613 HG3 PRO 82 HG3 PRO 82 19.785 7.738 7.261 614 HD2 PRO 82 HD2 PRO 82 17.716 7.748 8.993 615 HD3 PRO 82 HD3 PRO 82 17.442 7.884 7.241 Start of MODEL 17 1 H MET 1 H1 MET 1 -5.203 7.533 11.546 2 HA MET 1 HA MET 1 -6.380 6.249 9.146 3 HB2 MET 1 HB2 MET 1 -5.974 8.697 8.894 4 HB3 MET 1 HB3 MET 1 -4.302 8.478 9.378 5 HG2 MET 1 HG2 MET 1 -3.839 7.220 7.360 6 HG3 MET 1 HG3 MET 1 -5.542 7.260 6.900 7 HE1 MET 1 HE1 MET 1 -6.035 11.067 6.006 8 HE2 MET 1 HE2 MET 1 -6.417 10.272 7.532 9 HE3 MET 1 HE3 MET 1 -6.787 9.473 6.000 10 H THR 2 H THR 2 -5.055 4.651 8.153 11 HA THR 2 HA THR 2 -3.156 3.269 9.757 12 HB THR 2 HB THR 2 -2.650 2.060 7.449 13 HG1 THR 2 HG1 THR 2 -3.565 3.607 6.103 14 HG21 THR 2 HG21 THR 2 -4.004 0.971 9.178 15 HG22 THR 2 HG22 THR 2 -4.709 0.705 7.578 16 HG23 THR 2 HG23 THR 2 -5.428 1.891 8.674 17 H ARG 3 H ARG 3 -1.265 4.193 10.286 18 HA ARG 3 HA ARG 3 0.403 5.612 8.280 19 HB2 ARG 3 HB2 ARG 3 0.413 5.726 11.326 20 HB3 ARG 3 HB3 ARG 3 1.567 6.577 10.302 21 HG2 ARG 3 HG2 ARG 3 -0.168 7.995 9.394 22 HG3 ARG 3 HG3 ARG 3 -1.434 7.043 10.174 23 HD2 ARG 3 HD2 ARG 3 -0.982 9.181 11.362 24 HD3 ARG 3 HD3 ARG 3 -0.688 7.766 12.378 25 HE ARG 3 HE ARG 3 1.674 8.741 11.049 26 HH11 ARG 3 HH11 ARG 3 -0.258 9.095 13.896 27 HH12 ARG 3 HH12 ARG 3 1.024 9.832 14.788 28 HH21 ARG 3 HH21 ARG 3 3.298 9.647 12.244 29 HH22 ARG 3 HH22 ARG 3 3.003 10.119 13.881 30 H VAL 4 H VAL 4 1.891 4.242 7.386 31 HA VAL 4 HA VAL 4 3.392 2.361 9.150 32 HB VAL 4 HB VAL 4 2.625 1.898 6.225 33 HG11 VAL 4 HG11 VAL 4 3.666 -0.351 6.475 34 HG12 VAL 4 HG12 VAL 4 4.227 0.094 8.089 35 HG13 VAL 4 HG13 VAL 4 4.847 0.944 6.674 36 HG21 VAL 4 HG21 VAL 4 0.701 1.539 7.708 37 HG22 VAL 4 HG22 VAL 4 1.657 0.460 8.727 38 HG23 VAL 4 HG23 VAL 4 1.274 -0.006 7.067 39 H ARG 5 H ARG 5 5.478 3.045 9.352 40 HA ARG 5 HA ARG 5 6.806 4.565 7.219 41 HB2 ARG 5 HB2 ARG 5 7.937 3.670 9.912 42 HB3 ARG 5 HB3 ARG 5 8.745 4.719 8.760 43 HG2 ARG 5 HG2 ARG 5 7.969 6.198 10.386 44 HG3 ARG 5 HG3 ARG 5 6.755 6.336 9.115 45 HD2 ARG 5 HD2 ARG 5 5.728 6.236 11.357 46 HD3 ARG 5 HD3 ARG 5 5.251 4.851 10.365 47 HE ARG 5 HE ARG 5 7.540 4.213 11.928 48 HH11 ARG 5 HH11 ARG 5 4.127 4.707 12.335 49 HH12 ARG 5 HH12 ARG 5 4.029 3.591 13.648 50 HH21 ARG 5 HH21 ARG 5 7.363 2.805 13.596 51 HH22 ARG 5 HH22 ARG 5 5.828 2.514 14.333 52 H SER 6 H SER 6 8.256 3.702 5.808 53 HA SER 6 HA SER 6 9.223 0.915 6.216 54 HB2 SER 6 HB2 SER 6 7.863 1.161 4.172 55 HB3 SER 6 HB3 SER 6 8.905 2.463 3.611 56 HG SER 6 HG SER 6 10.366 1.050 3.006 57 H THR 7 H THR 7 11.416 0.461 5.551 58 HA THR 7 HA THR 7 13.278 2.553 6.310 59 HB THR 7 HB THR 7 14.982 0.575 5.935 60 HG1 THR 7 HG1 THR 7 14.039 -1.466 6.000 61 HG21 THR 7 HG21 THR 7 14.513 -0.292 8.186 62 HG22 THR 7 HG22 THR 7 12.905 0.436 8.141 63 HG23 THR 7 HG23 THR 7 14.339 1.469 8.136 64 HA PRO 8 HA PRO 8 14.373 3.987 2.318 65 HB2 PRO 8 HB2 PRO 8 16.983 4.777 2.667 66 HB3 PRO 8 HB3 PRO 8 15.611 5.606 3.415 67 HG2 PRO 8 HG2 PRO 8 17.415 3.516 4.632 68 HG3 PRO 8 HG3 PRO 8 16.938 5.098 5.295 69 HD2 PRO 8 HD2 PRO 8 15.684 2.849 6.058 70 HD3 PRO 8 HD3 PRO 8 14.772 4.360 5.832 71 H GLY 9 H GLY 9 14.286 2.434 0.792 72 HA2 GLY 9 HA2 GLY 9 15.271 1.292 -1.005 73 HA3 GLY 9 HA3 GLY 9 16.775 1.151 -0.106 74 H GLY 10 H GLY 10 13.926 0.277 1.613 75 HA2 GLY 10 HA2 GLY 10 14.627 -2.604 1.493 76 HA3 GLY 10 HA3 GLY 10 13.669 -1.812 2.738 77 H ASP 11 H ASP 11 12.303 -3.830 2.203 78 HA ASP 11 HA ASP 11 10.444 -3.251 -0.034 79 HB2 ASP 11 HB2 ASP 11 9.721 -5.595 0.080 80 HB3 ASP 11 HB3 ASP 11 11.453 -5.480 -0.169 81 H LEU 12 H LEU 12 8.634 -2.269 0.472 82 HA LEU 12 HA LEU 12 7.488 -2.049 3.098 83 HB2 LEU 12 HB2 LEU 12 7.323 -0.247 1.413 84 HB3 LEU 12 HB3 LEU 12 6.445 -1.313 0.329 85 HG LEU 12 HG LEU 12 4.566 -1.386 2.037 86 HD11 LEU 12 HD11 LEU 12 4.477 0.336 3.786 87 HD12 LEU 12 HD12 LEU 12 6.122 0.837 3.394 88 HD13 LEU 12 HD13 LEU 12 5.820 -0.775 4.047 89 HD21 LEU 12 HD21 LEU 12 4.422 0.062 0.059 90 HD22 LEU 12 HD22 LEU 12 5.244 1.361 0.931 91 HD23 LEU 12 HD23 LEU 12 3.649 0.815 1.453 92 H GLU 13 H GLU 13 5.596 -3.074 3.891 93 HA GLU 13 HA GLU 13 3.943 -4.681 2.081 94 HB2 GLU 13 HB2 GLU 13 5.462 -6.367 3.101 95 HB3 GLU 13 HB3 GLU 13 4.990 -5.834 4.712 96 HG2 GLU 13 HG2 GLU 13 2.613 -6.492 4.152 97 HG3 GLU 13 HG3 GLU 13 3.208 -7.163 2.639 98 H LEU 14 H LEU 14 1.974 -3.837 2.312 99 HA LEU 14 HA LEU 14 1.059 -2.718 4.889 100 HB2 LEU 14 HB2 LEU 14 -0.140 -2.448 2.091 101 HB3 LEU 14 HB3 LEU 14 -0.673 -1.595 3.534 102 HG LEU 14 HG LEU 14 2.016 -1.236 2.155 103 HD11 LEU 14 HD11 LEU 14 0.179 -0.249 0.869 104 HD12 LEU 14 HD12 LEU 14 1.222 0.997 1.551 105 HD13 LEU 14 HD13 LEU 14 -0.345 0.657 2.292 106 HD21 LEU 14 HD21 LEU 14 2.249 -0.920 4.573 107 HD22 LEU 14 HD22 LEU 14 0.901 0.220 4.575 108 HD23 LEU 14 HD23 LEU 14 2.398 0.619 3.730 109 H VAL 15 H VAL 15 0.338 -4.499 6.016 110 HA VAL 15 HA VAL 15 -1.627 -6.335 4.816 111 HB VAL 15 HB VAL 15 -0.465 -6.356 7.648 112 HG11 VAL 15 HG11 VAL 15 -2.123 -8.462 6.193 113 HG12 VAL 15 HG12 VAL 15 -2.666 -7.460 7.539 114 HG13 VAL 15 HG13 VAL 15 -1.396 -8.655 7.793 115 HG21 VAL 15 HG21 VAL 15 0.928 -8.255 6.873 116 HG22 VAL 15 HG22 VAL 15 1.292 -6.783 5.974 117 HG23 VAL 15 HG23 VAL 15 0.308 -8.046 5.232 118 H VAL 16 H VAL 16 -3.701 -5.801 4.905 119 HA VAL 16 HA VAL 16 -4.584 -3.563 6.626 120 HB VAL 16 HB VAL 16 -5.969 -4.438 4.058 121 HG11 VAL 16 HG11 VAL 16 -7.205 -2.879 5.500 122 HG12 VAL 16 HG12 VAL 16 -6.749 -2.101 3.983 123 HG13 VAL 16 HG13 VAL 16 -5.852 -1.745 5.461 124 HG21 VAL 16 HG21 VAL 16 -4.648 -2.743 2.810 125 HG22 VAL 16 HG22 VAL 16 -3.663 -4.087 3.387 126 HG23 VAL 16 HG23 VAL 16 -3.611 -2.537 4.222 127 H HIS 17 H HIS 17 -6.281 -3.872 7.980 128 HA HIS 17 HA HIS 17 -8.279 -5.963 7.363 129 HB2 HIS 17 HB2 HIS 17 -7.191 -5.382 10.156 130 HB3 HIS 17 HB3 HIS 17 -8.506 -6.491 9.784 131 HD1 HIS 17 HD1 HIS 17 -4.850 -6.300 10.052 132 HD2 HIS 17 HD2 HIS 17 -7.631 -8.850 8.311 133 HE1 HIS 17 HE1 HIS 17 -3.596 -8.400 9.518 134 HE2 HIS 17 HE2 HIS 17 -5.343 -9.990 8.679 135 H LEU 18 H LEU 18 -8.486 -3.359 6.523 136 HA LEU 18 HA LEU 18 -10.183 -1.719 7.971 137 HB2 LEU 18 HB2 LEU 18 -11.205 -1.127 5.680 138 HB3 LEU 18 HB3 LEU 18 -9.495 -0.879 5.901 139 HG LEU 18 HG LEU 18 -9.021 -2.951 4.579 140 HD11 LEU 18 HD11 LEU 18 -11.982 -3.050 3.977 141 HD12 LEU 18 HD12 LEU 18 -11.062 -4.238 4.903 142 HD13 LEU 18 HD13 LEU 18 -10.722 -4.010 3.191 143 HD21 LEU 18 HD21 LEU 18 -9.559 -1.999 2.373 144 HD22 LEU 18 HD22 LEU 18 -8.974 -0.769 3.490 145 HD23 LEU 18 HD23 LEU 18 -10.699 -0.881 3.131 146 H SER 19 H SER 19 -12.542 -1.436 7.844 147 HA SER 19 HA SER 19 -14.003 -3.881 8.419 148 HB2 SER 19 HB2 SER 19 -14.921 -0.966 8.458 149 HB3 SER 19 HB3 SER 19 -15.825 -2.332 9.114 150 HG SER 19 HG SER 19 -14.507 -1.060 10.643 151 H GLY 20 H GLY 20 -13.244 -3.858 5.709 152 HA2 GLY 20 HA2 GLY 20 -15.807 -3.508 4.247 153 HA3 GLY 20 HA3 GLY 20 -14.248 -3.127 3.538 154 HA PRO 21 HA PRO 21 -14.529 -7.979 3.776 155 HB2 PRO 21 HB2 PRO 21 -16.925 -9.157 4.250 156 HB3 PRO 21 HB3 PRO 21 -15.904 -8.566 5.568 157 HG2 PRO 21 HG2 PRO 21 -18.310 -7.258 4.306 158 HG3 PRO 21 HG3 PRO 21 -17.889 -7.401 6.026 159 HD2 PRO 21 HD2 PRO 21 -17.411 -5.133 4.511 160 HD3 PRO 21 HD3 PRO 21 -16.468 -5.566 5.953 161 H GLY 22 H GLY 22 -14.846 -9.407 2.020 162 HA2 GLY 22 HA2 GLY 22 -15.469 -10.158 -0.066 163 HA3 GLY 22 HA3 GLY 22 -16.884 -9.122 0.012 164 H GLY 23 H GLY 23 -16.731 -6.970 -0.761 165 HA2 GLY 23 HA2 GLY 23 -15.795 -5.123 -1.811 166 HA3 GLY 23 HA3 GLY 23 -14.254 -5.948 -1.897 167 HA PRO 24 HA PRO 24 -12.906 -7.230 -3.169 168 HB2 PRO 24 HB2 PRO 24 -11.387 -6.876 -5.407 169 HB3 PRO 24 HB3 PRO 24 -12.364 -8.329 -5.159 170 HG2 PRO 24 HG2 PRO 24 -13.039 -5.858 -6.763 171 HG3 PRO 24 HG3 PRO 24 -13.165 -7.566 -7.244 172 HD2 PRO 24 HD2 PRO 24 -15.320 -6.175 -6.358 173 HD3 PRO 24 HD3 PRO 24 -15.124 -7.905 -6.004 174 H VAL 25 H VAL 25 -10.994 -5.969 -2.708 175 HA VAL 25 HA VAL 25 -11.533 -3.089 -2.568 176 HB VAL 25 HB VAL 25 -9.272 -4.660 -1.270 177 HG11 VAL 25 HG11 VAL 25 -9.116 -2.752 0.289 178 HG12 VAL 25 HG12 VAL 25 -10.378 -1.909 -0.614 179 HG13 VAL 25 HG13 VAL 25 -8.826 -2.253 -1.379 180 HG21 VAL 25 HG21 VAL 25 -11.983 -3.961 -0.070 181 HG22 VAL 25 HG22 VAL 25 -10.634 -4.694 0.801 182 HG23 VAL 25 HG23 VAL 25 -11.424 -5.578 -0.505 183 H ARG 26 H ARG 26 -10.433 -1.583 -3.749 184 HA ARG 26 HA ARG 26 -8.472 -2.482 -5.767 185 HB2 ARG 26 HB2 ARG 26 -10.027 0.133 -5.578 186 HB3 ARG 26 HB3 ARG 26 -9.024 -0.377 -6.933 187 HG2 ARG 26 HG2 ARG 26 -10.586 -2.223 -7.405 188 HG3 ARG 26 HG3 ARG 26 -11.582 -1.745 -6.027 189 HD2 ARG 26 HD2 ARG 26 -12.033 0.430 -7.092 190 HD3 ARG 26 HD3 ARG 26 -11.002 -0.013 -8.459 191 HE ARG 26 HE ARG 26 -13.196 -1.828 -7.959 192 HH11 ARG 26 HH11 ARG 26 -12.246 1.021 -9.676 193 HH12 ARG 26 HH12 ARG 26 -13.481 0.836 -10.869 194 HH21 ARG 26 HH21 ARG 26 -14.777 -2.022 -9.481 195 HH22 ARG 26 HH22 ARG 26 -14.896 -0.858 -10.753 196 H TRP 27 H TRP 27 -6.350 -1.798 -5.699 197 HA TRP 27 HA TRP 27 -5.520 0.048 -3.559 198 HB2 TRP 27 HB2 TRP 27 -4.052 -2.042 -5.190 199 HB3 TRP 27 HB3 TRP 27 -3.150 -0.788 -4.348 200 HD1 TRP 27 HD1 TRP 27 -5.129 -3.985 -3.678 201 HE1 TRP 27 HE1 TRP 27 -4.774 -4.633 -1.225 202 HE3 TRP 27 HE3 TRP 27 -2.816 0.278 -2.050 203 HZ2 TRP 27 HZ2 TRP 27 -3.683 -3.475 1.108 204 HZ3 TRP 27 HZ3 TRP 27 -2.163 0.442 0.321 205 HH2 TRP 27 HH2 TRP 27 -2.591 -1.402 1.867 206 H TYR 28 H TYR 28 -5.267 2.096 -4.056 207 HA TYR 28 HA TYR 28 -4.109 2.922 -6.646 208 HB2 TYR 28 HB2 TYR 28 -5.784 4.558 -4.686 209 HB3 TYR 28 HB3 TYR 28 -5.122 5.153 -6.210 210 HD1 TYR 28 HD1 TYR 28 -6.042 4.313 -8.389 211 HD2 TYR 28 HD2 TYR 28 -7.801 3.146 -4.666 212 HE1 TYR 28 HE1 TYR 28 -8.037 3.518 -9.578 213 HE2 TYR 28 HE2 TYR 28 -9.787 2.348 -5.865 214 HH TYR 28 HH TYR 28 -10.936 2.797 -8.046 215 H LYS 29 H LYS 29 -2.336 4.352 -6.604 216 HA LYS 29 HA LYS 29 -1.131 4.954 -3.966 217 HB2 LYS 29 HB2 LYS 29 0.279 3.230 -4.676 218 HB3 LYS 29 HB3 LYS 29 0.158 3.664 -6.361 219 HG2 LYS 29 HG2 LYS 29 2.389 4.121 -5.595 220 HG3 LYS 29 HG3 LYS 29 1.593 5.642 -5.965 221 HD2 LYS 29 HD2 LYS 29 1.170 5.964 -3.514 222 HD3 LYS 29 HD3 LYS 29 2.074 4.484 -3.196 223 HE2 LYS 29 HE2 LYS 29 3.099 7.101 -4.314 224 HE3 LYS 29 HE3 LYS 29 3.602 6.280 -2.837 225 HZ1 LYS 29 HZ1 LYS 29 4.087 5.294 -5.597 226 HZ2 LYS 29 HZ2 LYS 29 4.626 4.564 -4.171 227 HZ3 LYS 29 HZ3 LYS 29 5.222 6.080 -4.623 228 H ASP 30 H ASP 30 -1.340 7.020 -3.733 229 HA ASP 30 HA ASP 30 -0.959 9.219 -3.789 230 HB2 ASP 30 HB2 ASP 30 1.383 8.067 -4.390 231 HB3 ASP 30 HB3 ASP 30 1.148 8.878 -5.932 232 H GLY 31 H GLY 31 -2.727 7.948 -6.016 233 HA2 GLY 31 HA2 GLY 31 -4.006 10.003 -7.141 234 HA3 GLY 31 HA3 GLY 31 -2.594 9.902 -8.180 235 H GLU 32 H GLU 32 -2.380 6.951 -8.136 236 HA GLU 32 HA GLU 32 -4.840 6.016 -9.389 237 HB2 GLU 32 HB2 GLU 32 -3.699 7.476 -11.112 238 HB3 GLU 32 HB3 GLU 32 -2.363 6.333 -11.137 239 HG2 GLU 32 HG2 GLU 32 -3.747 4.601 -12.056 240 HG3 GLU 32 HG3 GLU 32 -5.214 5.533 -11.768 241 H ARG 33 H ARG 33 -4.696 3.781 -10.225 242 HA ARG 33 HA ARG 33 -3.951 2.193 -8.063 243 HB2 ARG 33 HB2 ARG 33 -5.084 0.405 -9.090 244 HB3 ARG 33 HB3 ARG 33 -5.917 1.844 -9.641 245 HG2 ARG 33 HG2 ARG 33 -3.900 0.267 -11.277 246 HG3 ARG 33 HG3 ARG 33 -5.654 0.123 -11.416 247 HD2 ARG 33 HD2 ARG 33 -5.744 2.536 -12.080 248 HD3 ARG 33 HD3 ARG 33 -3.978 2.580 -12.044 249 HE ARG 33 HE ARG 33 -5.312 0.627 -13.797 250 HH11 ARG 33 HH11 ARG 33 -3.369 3.490 -13.564 251 HH12 ARG 33 HH12 ARG 33 -3.064 3.533 -15.259 252 HH21 ARG 33 HH21 ARG 33 -4.904 0.733 -15.954 253 HH22 ARG 33 HH22 ARG 33 -3.921 2.007 -16.586 254 H LEU 34 H LEU 34 -2.648 0.368 -7.787 255 HA LEU 34 HA LEU 34 -0.217 0.165 -9.441 256 HB2 LEU 34 HB2 LEU 34 -0.909 -1.158 -6.785 257 HB3 LEU 34 HB3 LEU 34 0.603 -1.387 -7.649 258 HG LEU 34 HG LEU 34 -0.374 1.131 -6.266 259 HD11 LEU 34 HD11 LEU 34 1.732 0.942 -4.998 260 HD12 LEU 34 HD12 LEU 34 2.098 -0.566 -5.845 261 HD13 LEU 34 HD13 LEU 34 0.690 -0.463 -4.784 262 HD21 LEU 34 HD21 LEU 34 1.695 2.255 -7.085 263 HD22 LEU 34 HD22 LEU 34 0.582 1.865 -8.393 264 HD23 LEU 34 HD23 LEU 34 2.016 0.868 -8.132 265 H ALA 35 H ALA 35 0.582 -1.968 -10.043 266 HA ALA 35 HA ALA 35 -1.487 -4.044 -10.519 267 HB1 ALA 35 HB1 ALA 35 -1.039 -2.818 -12.616 268 HB2 ALA 35 HB2 ALA 35 -0.475 -4.486 -12.722 269 HB3 ALA 35 HB3 ALA 35 0.682 -3.177 -12.469 270 H SER 36 H SER 36 -0.862 -6.108 -10.008 271 HA SER 36 HA SER 36 1.445 -6.535 -8.389 272 HB2 SER 36 HB2 SER 36 0.680 -8.929 -8.347 273 HB3 SER 36 HB3 SER 36 -0.589 -7.782 -7.924 274 HG SER 36 HG SER 36 -1.127 -9.529 -9.464 275 H GLN 37 H GLN 37 3.283 -6.085 -9.617 276 HA GLN 37 HA GLN 37 4.124 -8.136 -11.589 277 HB2 GLN 37 HB2 GLN 37 4.494 -5.119 -11.903 278 HB3 GLN 37 HB3 GLN 37 5.225 -6.334 -12.949 279 HG2 GLN 37 HG2 GLN 37 2.966 -7.071 -13.658 280 HG3 GLN 37 HG3 GLN 37 2.244 -5.836 -12.630 281 HE21 GLN 37 HE21 GLN 37 2.021 -6.214 -15.516 282 HE22 GLN 37 HE22 GLN 37 2.557 -4.744 -16.241 283 H GLY 38 H GLY 38 5.506 -9.174 -10.172 284 HA2 GLY 38 HA2 GLY 38 7.557 -9.723 -9.342 285 HA3 GLY 38 HA3 GLY 38 8.189 -8.300 -10.145 286 H ARG 39 H ARG 39 8.345 -6.352 -8.993 287 HA ARG 39 HA ARG 39 8.968 -6.562 -6.205 288 HB2 ARG 39 HB2 ARG 39 9.553 -4.171 -6.374 289 HB3 ARG 39 HB3 ARG 39 10.224 -5.088 -7.715 290 HG2 ARG 39 HG2 ARG 39 8.140 -4.271 -9.052 291 HG3 ARG 39 HG3 ARG 39 7.950 -3.091 -7.754 292 HD2 ARG 39 HD2 ARG 39 9.179 -2.046 -9.549 293 HD3 ARG 39 HD3 ARG 39 10.306 -2.317 -8.213 294 HE ARG 39 HE ARG 39 10.190 -4.374 -10.286 295 HH11 ARG 39 HH11 ARG 39 11.968 -1.684 -9.023 296 HH12 ARG 39 HH12 ARG 39 13.358 -2.053 -9.981 297 HH21 ARG 39 HH21 ARG 39 11.968 -4.791 -11.475 298 HH22 ARG 39 HH22 ARG 39 13.349 -3.756 -11.353 299 H VAL 40 H VAL 40 6.247 -5.137 -8.005 300 HA VAL 40 HA VAL 40 4.804 -4.423 -5.557 301 HB VAL 40 HB VAL 40 3.928 -4.174 -8.476 302 HG11 VAL 40 HG11 VAL 40 2.662 -3.015 -5.961 303 HG12 VAL 40 HG12 VAL 40 1.993 -4.307 -6.957 304 HG13 VAL 40 HG13 VAL 40 2.143 -2.680 -7.617 305 HG21 VAL 40 HG21 VAL 40 5.032 -2.046 -6.590 306 HG22 VAL 40 HG22 VAL 40 4.421 -1.752 -8.221 307 HG23 VAL 40 HG23 VAL 40 5.869 -2.731 -7.987 308 H GLN 41 H GLN 41 3.432 -5.832 -4.581 309 HA GLN 41 HA GLN 41 2.461 -8.234 -6.042 310 HB2 GLN 41 HB2 GLN 41 3.750 -8.138 -3.276 311 HB3 GLN 41 HB3 GLN 41 2.956 -9.563 -3.945 312 HG2 GLN 41 HG2 GLN 41 4.625 -9.823 -5.638 313 HG3 GLN 41 HG3 GLN 41 5.304 -8.227 -5.330 314 HE21 GLN 41 HE21 GLN 41 6.648 -7.943 -3.532 315 HE22 GLN 41 HE22 GLN 41 7.349 -9.274 -2.691 316 H LEU 42 H LEU 42 0.301 -8.397 -5.908 317 HA LEU 42 HA LEU 42 -1.167 -7.107 -3.671 318 HB2 LEU 42 HB2 LEU 42 -2.001 -7.552 -6.563 319 HB3 LEU 42 HB3 LEU 42 -3.119 -7.040 -5.306 320 HG LEU 42 HG LEU 42 -0.691 -5.465 -6.264 321 HD11 LEU 42 HD11 LEU 42 -3.642 -4.891 -6.656 322 HD12 LEU 42 HD12 LEU 42 -2.525 -5.454 -7.902 323 HD13 LEU 42 HD13 LEU 42 -2.299 -3.865 -7.176 324 HD21 LEU 42 HD21 LEU 42 -1.530 -3.650 -4.805 325 HD22 LEU 42 HD22 LEU 42 -1.064 -5.071 -3.878 326 HD23 LEU 42 HD23 LEU 42 -2.772 -4.734 -4.171 327 H GLU 43 H GLU 43 -1.307 -8.809 -2.264 328 HA GLU 43 HA GLU 43 -2.767 -11.233 -3.056 329 HB2 GLU 43 HB2 GLU 43 -0.792 -11.267 -1.413 330 HB3 GLU 43 HB3 GLU 43 -1.825 -10.426 -0.261 331 HG2 GLU 43 HG2 GLU 43 -2.563 -13.125 -1.431 332 HG3 GLU 43 HG3 GLU 43 -1.572 -12.956 0.013 333 H GLN 44 H GLN 44 -4.947 -11.338 -2.878 334 HA GLN 44 HA GLN 44 -6.378 -9.368 -1.188 335 HB2 GLN 44 HB2 GLN 44 -8.145 -9.274 -2.985 336 HB3 GLN 44 HB3 GLN 44 -6.610 -8.541 -3.420 337 HG2 GLN 44 HG2 GLN 44 -6.046 -10.569 -4.750 338 HG3 GLN 44 HG3 GLN 44 -7.626 -11.245 -4.352 339 HE21 GLN 44 HE21 GLN 44 -8.270 -11.328 -6.528 340 HE22 GLN 44 HE22 GLN 44 -8.632 -9.909 -7.443 341 H ALA 45 H ALA 45 -7.014 -10.603 0.451 342 HA ALA 45 HA ALA 45 -8.357 -13.201 0.049 343 HB1 ALA 45 HB1 ALA 45 -7.998 -13.526 2.457 344 HB2 ALA 45 HB2 ALA 45 -7.381 -11.876 2.599 345 HB3 ALA 45 HB3 ALA 45 -6.486 -13.070 1.660 346 H GLY 46 H GLY 46 -9.270 -10.024 0.190 347 HA2 GLY 46 HA2 GLY 46 -11.650 -9.470 0.085 348 HA3 GLY 46 HA3 GLY 46 -11.930 -10.580 1.421 349 H ALA 47 H ALA 47 -11.695 -9.839 3.516 350 HA ALA 47 HA ALA 47 -11.474 -7.055 4.084 351 HB1 ALA 47 HB1 ALA 47 -12.774 -8.608 5.493 352 HB2 ALA 47 HB2 ALA 47 -11.576 -7.733 6.450 353 HB3 ALA 47 HB3 ALA 47 -11.284 -9.412 5.988 354 H ARG 48 H ARG 48 -9.145 -9.731 4.187 355 HA ARG 48 HA ARG 48 -6.949 -8.020 5.091 356 HB2 ARG 48 HB2 ARG 48 -7.017 -10.395 5.851 357 HB3 ARG 48 HB3 ARG 48 -6.863 -10.932 4.180 358 HG2 ARG 48 HG2 ARG 48 -4.635 -9.658 4.103 359 HG3 ARG 48 HG3 ARG 48 -4.794 -9.453 5.852 360 HD2 ARG 48 HD2 ARG 48 -3.363 -11.349 5.458 361 HD3 ARG 48 HD3 ARG 48 -4.907 -11.972 6.054 362 HE ARG 48 HE ARG 48 -4.695 -11.862 3.174 363 HH11 ARG 48 HH11 ARG 48 -4.082 -13.893 5.924 364 HH12 ARG 48 HH12 ARG 48 -4.049 -15.320 4.954 365 HH21 ARG 48 HH21 ARG 48 -4.642 -13.677 2.007 366 HH22 ARG 48 HH22 ARG 48 -4.350 -15.203 2.772 367 H GLN 49 H GLN 49 -6.091 -6.680 3.619 368 HA GLN 49 HA GLN 49 -5.475 -7.669 0.881 369 HB2 GLN 49 HB2 GLN 49 -5.740 -4.807 1.905 370 HB3 GLN 49 HB3 GLN 49 -5.255 -5.243 0.269 371 HG2 GLN 49 HG2 GLN 49 -7.945 -5.820 1.541 372 HG3 GLN 49 HG3 GLN 49 -7.600 -4.543 0.376 373 HE21 GLN 49 HE21 GLN 49 -8.247 -7.914 0.788 374 HE22 GLN 49 HE22 GLN 49 -8.301 -8.317 -0.889 375 H VAL 50 H VAL 50 -3.321 -7.622 0.219 376 HA VAL 50 HA VAL 50 -1.287 -6.478 2.043 377 HB VAL 50 HB VAL 50 -1.054 -9.195 0.669 378 HG11 VAL 50 HG11 VAL 50 1.131 -9.399 1.840 379 HG12 VAL 50 HG12 VAL 50 0.966 -7.740 2.419 380 HG13 VAL 50 HG13 VAL 50 1.118 -8.060 0.691 381 HG21 VAL 50 HG21 VAL 50 -1.262 -8.540 3.639 382 HG22 VAL 50 HG22 VAL 50 -0.973 -10.144 2.963 383 HG23 VAL 50 HG23 VAL 50 -2.503 -9.324 2.655 384 H LEU 51 H LEU 51 -0.482 -4.819 0.923 385 HA LEU 51 HA LEU 51 0.366 -5.193 -1.897 386 HB2 LEU 51 HB2 LEU 51 -1.166 -3.329 -1.657 387 HB3 LEU 51 HB3 LEU 51 -0.258 -2.662 -0.325 388 HG LEU 51 HG LEU 51 -0.137 -1.497 -2.688 389 HD11 LEU 51 HD11 LEU 51 2.130 -0.684 -2.307 390 HD12 LEU 51 HD12 LEU 51 2.440 -2.006 -1.179 391 HD13 LEU 51 HD13 LEU 51 1.229 -0.781 -0.794 392 HD21 LEU 51 HD21 LEU 51 1.927 -3.675 -3.161 393 HD22 LEU 51 HD22 LEU 51 1.627 -2.271 -4.189 394 HD23 LEU 51 HD23 LEU 51 0.389 -3.506 -4.007 395 H ARG 52 H ARG 52 2.400 -5.900 -1.946 396 HA ARG 52 HA ARG 52 4.459 -4.723 -0.192 397 HB2 ARG 52 HB2 ARG 52 4.519 -7.140 -2.040 398 HB3 ARG 52 HB3 ARG 52 5.961 -6.476 -1.274 399 HG2 ARG 52 HG2 ARG 52 4.887 -6.859 0.958 400 HG3 ARG 52 HG3 ARG 52 3.565 -7.690 0.130 401 HD2 ARG 52 HD2 ARG 52 4.988 -9.452 -0.591 402 HD3 ARG 52 HD3 ARG 52 6.455 -8.532 -0.240 403 HE ARG 52 HE ARG 52 4.640 -9.657 1.815 404 HH11 ARG 52 HH11 ARG 52 7.840 -8.713 0.862 405 HH12 ARG 52 HH12 ARG 52 8.546 -9.308 2.320 406 HH21 ARG 52 HH21 ARG 52 5.579 -10.394 3.645 407 HH22 ARG 52 HH22 ARG 52 7.294 -10.262 3.858 408 H VAL 53 H VAL 53 5.959 -3.307 -0.930 409 HA VAL 53 HA VAL 53 6.509 -3.123 -3.846 410 HB VAL 53 HB VAL 53 6.569 -0.767 -1.888 411 HG11 VAL 53 HG11 VAL 53 7.223 -0.823 -4.863 412 HG12 VAL 53 HG12 VAL 53 8.375 -0.586 -3.548 413 HG13 VAL 53 HG13 VAL 53 7.137 0.628 -3.859 414 HG21 VAL 53 HG21 VAL 53 4.254 -1.333 -2.529 415 HG22 VAL 53 HG22 VAL 53 4.686 -1.256 -4.237 416 HG23 VAL 53 HG23 VAL 53 4.739 0.205 -3.246 417 H GLN 54 H GLN 54 8.323 -4.400 -3.864 418 HA GLN 54 HA GLN 54 10.495 -4.129 -1.996 419 HB2 GLN 54 HB2 GLN 54 10.061 -6.265 -3.197 420 HB3 GLN 54 HB3 GLN 54 10.455 -5.485 -4.723 421 HG2 GLN 54 HG2 GLN 54 12.768 -5.097 -3.923 422 HG3 GLN 54 HG3 GLN 54 12.370 -5.893 -2.402 423 HE21 GLN 54 HE21 GLN 54 14.407 -6.611 -4.373 424 HE22 GLN 54 HE22 GLN 54 14.050 -8.233 -4.848 425 H GLY 55 H GLY 55 12.175 -2.723 -2.061 426 HA2 GLY 55 HA2 GLY 55 13.666 -1.128 -2.888 427 HA3 GLY 55 HA3 GLY 55 12.894 -1.214 -4.465 428 H ALA 56 H ALA 56 11.072 -0.727 -1.513 429 HA ALA 56 HA ALA 56 9.816 1.670 -2.272 430 HB1 ALA 56 HB1 ALA 56 8.967 1.743 0.029 431 HB2 ALA 56 HB2 ALA 56 10.168 0.551 0.527 432 HB3 ALA 56 HB3 ALA 56 8.889 0.093 -0.600 433 H ARG 57 H ARG 57 11.137 3.389 -2.776 434 HA ARG 57 HA ARG 57 12.015 5.106 -0.726 435 HB2 ARG 57 HB2 ARG 57 13.975 3.293 -1.005 436 HB3 ARG 57 HB3 ARG 57 14.426 4.285 -2.378 437 HG2 ARG 57 HG2 ARG 57 14.134 5.419 0.422 438 HG3 ARG 57 HG3 ARG 57 15.632 4.692 -0.142 439 HD2 ARG 57 HD2 ARG 57 15.962 6.999 -0.431 440 HD3 ARG 57 HD3 ARG 57 15.554 6.428 -2.049 441 HE ARG 57 HE ARG 57 13.174 7.263 -0.942 442 HH11 ARG 57 HH11 ARG 57 16.207 8.828 -1.511 443 HH12 ARG 57 HH12 ARG 57 15.461 10.352 -1.834 444 HH21 ARG 57 HH21 ARG 57 12.264 9.197 -1.403 445 HH22 ARG 57 HH22 ARG 57 13.265 10.561 -1.774 446 H SER 58 H SER 58 12.897 4.290 -4.108 447 HA SER 58 HA SER 58 13.655 6.826 -4.957 448 HB2 SER 58 HB2 SER 58 12.576 4.569 -6.679 449 HB3 SER 58 HB3 SER 58 13.515 5.946 -7.261 450 HG SER 58 HG SER 58 15.042 4.467 -6.946 451 H GLY 59 H GLY 59 10.510 5.262 -5.749 452 HA2 GLY 59 HA2 GLY 59 9.238 7.952 -5.910 453 HA3 GLY 59 HA3 GLY 59 8.963 6.730 -7.146 454 H ASP 60 H ASP 60 9.298 5.521 -3.954 455 HA ASP 60 HA ASP 60 6.369 5.363 -3.566 456 HB2 ASP 60 HB2 ASP 60 8.403 3.121 -3.268 457 HB3 ASP 60 HB3 ASP 60 6.782 3.033 -2.585 458 H ALA 61 H ALA 61 6.424 7.068 -2.143 459 HA ALA 61 HA ALA 61 6.637 6.293 0.613 460 HB1 ALA 61 HB1 ALA 61 8.445 8.563 -0.326 461 HB2 ALA 61 HB2 ALA 61 8.997 6.987 0.241 462 HB3 ALA 61 HB3 ALA 61 8.174 8.083 1.351 463 H GLY 62 H GLY 62 4.368 6.699 -0.188 464 HA2 GLY 62 HA2 GLY 62 3.456 9.397 0.473 465 HA3 GLY 62 HA3 GLY 62 3.182 8.888 -1.187 466 H GLU 63 H GLU 63 0.932 9.067 -0.882 467 HA GLU 63 HA GLU 63 -0.435 7.535 1.174 468 HB2 GLU 63 HB2 GLU 63 -1.514 9.196 -1.138 469 HB3 GLU 63 HB3 GLU 63 -2.501 8.476 0.134 470 HG2 GLU 63 HG2 GLU 63 -1.484 9.896 1.822 471 HG3 GLU 63 HG3 GLU 63 -0.301 10.504 0.662 472 H TYR 64 H TYR 64 -1.135 5.498 0.947 473 HA TYR 64 HA TYR 64 -1.643 4.338 -1.738 474 HB2 TYR 64 HB2 TYR 64 -0.817 2.981 0.865 475 HB3 TYR 64 HB3 TYR 64 -1.349 2.102 -0.563 476 HD1 TYR 64 HD2 TYR 64 1.327 4.475 0.643 477 HD2 TYR 64 HD1 TYR 64 0.221 1.514 -2.243 478 HE1 TYR 64 HE2 TYR 64 3.640 4.381 -0.154 479 HE2 TYR 64 HE1 TYR 64 2.533 1.443 -3.052 480 HH TYR 64 HH TYR 64 4.542 2.593 -3.009 481 H LEU 65 H LEU 65 -3.800 4.449 -2.100 482 HA LEU 65 HA LEU 65 -5.705 4.468 0.122 483 HB2 LEU 65 HB2 LEU 65 -5.796 6.224 -1.631 484 HB3 LEU 65 HB3 LEU 65 -6.089 4.993 -2.850 485 HG LEU 65 HG LEU 65 -8.274 4.443 -1.741 486 HD11 LEU 65 HD11 LEU 65 -9.193 5.952 -0.030 487 HD12 LEU 65 HD12 LEU 65 -7.651 6.804 0.063 488 HD13 LEU 65 HD13 LEU 65 -7.759 5.110 0.553 489 HD21 LEU 65 HD21 LEU 65 -7.976 7.371 -2.497 490 HD22 LEU 65 HD22 LEU 65 -9.483 6.452 -2.466 491 HD23 LEU 65 HD23 LEU 65 -8.224 6.030 -3.621 492 H CYS 66 H CYS 66 -5.956 2.375 0.773 493 HA CYS 66 HA CYS 66 -6.648 0.187 -1.008 494 HB2 CYS 66 HB2 CYS 66 -5.415 -0.081 1.195 495 HB3 CYS 66 HB3 CYS 66 -6.905 0.351 2.025 496 HG CYS 66 HG CYS 66 -6.540 -2.388 0.002 497 H ASP 67 H ASP 67 -8.453 0.905 -2.105 498 HA ASP 67 HA ASP 67 -10.694 2.180 -0.754 499 HB2 ASP 67 HB2 ASP 67 -9.679 3.190 -2.788 500 HB3 ASP 67 HB3 ASP 67 -10.140 1.771 -3.720 501 H ALA 68 H ALA 68 -11.861 0.550 0.275 502 HA ALA 68 HA ALA 68 -12.897 -1.735 -1.235 503 HB1 ALA 68 HB1 ALA 68 -13.387 -0.961 1.656 504 HB2 ALA 68 HB2 ALA 68 -12.131 -2.062 1.089 505 HB3 ALA 68 HB3 ALA 68 -13.833 -2.487 0.895 506 HA PRO 69 HA PRO 69 -16.858 0.197 -2.446 507 HB2 PRO 69 HB2 PRO 69 -17.860 -2.629 -2.025 508 HB3 PRO 69 HB3 PRO 69 -18.119 -1.541 -3.400 509 HG2 PRO 69 HG2 PRO 69 -16.359 -3.514 -3.611 510 HG3 PRO 69 HG3 PRO 69 -15.953 -1.906 -4.257 511 HD2 PRO 69 HD2 PRO 69 -15.034 -3.212 -1.692 512 HD3 PRO 69 HD3 PRO 69 -14.106 -2.234 -2.851 513 H GLN 70 H GLN 70 -16.635 -1.914 0.394 514 HA GLN 70 HA GLN 70 -19.008 -0.929 1.695 515 HB2 GLN 70 HB2 GLN 70 -18.107 -3.167 2.215 516 HB3 GLN 70 HB3 GLN 70 -16.617 -2.451 2.811 517 HG2 GLN 70 HG2 GLN 70 -17.973 -3.119 4.694 518 HG3 GLN 70 HG3 GLN 70 -17.898 -1.359 4.650 519 HE21 GLN 70 HE21 GLN 70 -19.778 -1.128 5.864 520 HE22 GLN 70 HE22 GLN 70 -21.348 -1.496 5.248 521 H ASP 71 H ASP 71 -15.521 -0.532 2.635 522 HA ASP 71 HA ASP 71 -15.845 2.344 2.895 523 HB2 ASP 71 HB2 ASP 71 -16.604 1.445 5.127 524 HB3 ASP 71 HB3 ASP 71 -15.003 0.746 5.360 525 H SER 72 H SER 72 -14.040 3.339 2.275 526 HA SER 72 HA SER 72 -11.730 1.896 1.376 527 HB2 SER 72 HB2 SER 72 -12.675 3.850 0.176 528 HB3 SER 72 HB3 SER 72 -12.235 4.898 1.523 529 HG SER 72 HG SER 72 -10.767 4.265 -0.550 530 H ARG 73 H ARG 73 -9.461 3.069 1.848 531 HA ARG 73 HA ARG 73 -9.019 3.815 4.638 532 HB2 ARG 73 HB2 ARG 73 -9.130 1.285 4.620 533 HB3 ARG 73 HB3 ARG 73 -7.755 1.268 3.530 534 HG2 ARG 73 HG2 ARG 73 -6.835 0.802 5.645 535 HG3 ARG 73 HG3 ARG 73 -6.462 2.504 5.382 536 HD2 ARG 73 HD2 ARG 73 -8.787 1.479 7.049 537 HD3 ARG 73 HD3 ARG 73 -7.229 1.972 7.710 538 HE ARG 73 HE ARG 73 -8.916 3.888 6.219 539 HH11 ARG 73 HH11 ARG 73 -7.372 3.023 9.178 540 HH12 ARG 73 HH12 ARG 73 -7.719 4.545 9.915 541 HH21 ARG 73 HH21 ARG 73 -9.306 5.831 7.159 542 HH22 ARG 73 HH22 ARG 73 -8.792 6.115 8.785 543 H ILE 74 H ILE 74 -7.356 5.283 4.723 544 HA ILE 74 HA ILE 74 -5.602 5.618 2.356 545 HB ILE 74 HB ILE 74 -6.105 7.581 4.653 546 HG12 ILE 74 HG12 ILE 74 -7.185 9.014 2.782 547 HG13 ILE 74 HG13 ILE 74 -7.204 7.559 1.799 548 HG21 ILE 74 HG21 ILE 74 -4.469 7.972 2.114 549 HG22 ILE 74 HG22 ILE 74 -3.845 7.861 3.759 550 HG23 ILE 74 HG23 ILE 74 -4.839 9.239 3.291 551 HD11 ILE 74 HD11 ILE 74 -9.365 8.014 2.816 552 HD12 ILE 74 HD12 ILE 74 -8.646 7.938 4.423 553 HD13 ILE 74 HD13 ILE 74 -8.702 6.493 3.410 554 H PHE 75 H PHE 75 -3.514 4.919 2.514 555 HA PHE 75 HA PHE 75 -2.287 4.465 5.163 556 HB2 PHE 75 HB2 PHE 75 -1.718 3.290 2.440 557 HB3 PHE 75 HB3 PHE 75 -0.496 3.224 3.698 558 HD1 PHE 75 HD2 PHE 75 -4.024 2.245 2.915 559 HD2 PHE 75 HD1 PHE 75 -0.556 1.526 5.321 560 HE1 PHE 75 HE2 PHE 75 -5.069 0.221 3.842 561 HE2 PHE 75 HE1 PHE 75 -1.614 -0.492 6.236 562 HZ PHE 75 HZ PHE 75 -3.862 -1.143 5.501 563 H LEU 76 H LEU 76 -1.379 6.372 5.810 564 HA LEU 76 HA LEU 76 0.348 7.966 4.118 565 HB2 LEU 76 HB2 LEU 76 0.094 7.881 7.155 566 HB3 LEU 76 HB3 LEU 76 1.009 9.082 6.254 567 HG LEU 76 HG LEU 76 -2.009 8.709 6.167 568 HD11 LEU 76 HD11 LEU 76 -0.373 10.947 7.401 569 HD12 LEU 76 HD12 LEU 76 -1.244 9.689 8.282 570 HD13 LEU 76 HD13 LEU 76 -2.136 10.865 7.320 571 HD21 LEU 76 HD21 LEU 76 -0.308 10.794 4.743 572 HD22 LEU 76 HD22 LEU 76 -2.071 10.763 4.795 573 HD23 LEU 76 HD23 LEU 76 -1.196 9.474 3.978 574 H VAL 77 H VAL 77 1.876 6.567 3.248 575 HA VAL 77 HA VAL 77 3.655 5.082 5.073 576 HB VAL 77 HB VAL 77 3.393 4.938 2.038 577 HG11 VAL 77 HG11 VAL 77 4.972 3.014 2.145 578 HG12 VAL 77 HG12 VAL 77 5.238 3.330 3.860 579 HG13 VAL 77 HG13 VAL 77 5.741 4.518 2.655 580 HG21 VAL 77 HG21 VAL 77 2.499 2.663 2.474 581 HG22 VAL 77 HG22 VAL 77 1.510 3.904 3.244 582 HG23 VAL 77 HG23 VAL 77 2.630 2.944 4.213 583 H SER 78 H SER 78 5.376 6.120 5.776 584 HA SER 78 HA SER 78 6.747 8.111 4.053 585 HB2 SER 78 HB2 SER 78 7.605 9.089 6.193 586 HB3 SER 78 HB3 SER 78 5.847 9.139 6.080 587 HG SER 78 HG SER 78 6.901 8.372 8.123 588 H VAL 79 H VAL 79 8.404 7.098 3.068 589 HA VAL 79 HA VAL 79 10.063 5.129 4.485 590 HB VAL 79 HB VAL 79 10.352 6.154 1.620 591 HG11 VAL 79 HG11 VAL 79 12.445 5.204 2.512 592 HG12 VAL 79 HG12 VAL 79 11.767 4.154 1.269 593 HG13 VAL 79 HG13 VAL 79 11.597 3.724 2.972 594 HG21 VAL 79 HG21 VAL 79 8.187 5.043 1.880 595 HG22 VAL 79 HG22 VAL 79 8.960 3.645 2.628 596 HG23 VAL 79 HG23 VAL 79 9.269 4.017 0.932 597 H GLU 80 H GLU 80 11.548 5.993 5.816 598 HA GLU 80 HA GLU 80 13.541 7.854 5.189 599 HB2 GLU 80 HB2 GLU 80 12.748 9.884 6.436 600 HB3 GLU 80 HB3 GLU 80 11.770 9.549 5.014 601 HG2 GLU 80 HG2 GLU 80 10.079 8.444 6.522 602 HG3 GLU 80 HG3 GLU 80 11.029 8.997 7.903 603 H GLU 81 H GLU 81 11.520 6.345 7.597 604 HA GLU 81 HA GLU 81 13.101 6.745 9.908 605 HB2 GLU 81 HB2 GLU 81 10.722 5.999 9.913 606 HB3 GLU 81 HB3 GLU 81 11.206 4.455 9.234 607 HG2 GLU 81 HG2 GLU 81 12.384 3.861 11.272 608 HG3 GLU 81 HG3 GLU 81 12.120 5.469 11.942 609 HA PRO 82 HA PRO 82 16.368 4.320 7.936 610 HB2 PRO 82 HB2 PRO 82 18.501 5.193 9.369 611 HB3 PRO 82 HB3 PRO 82 17.648 6.217 8.208 612 HG2 PRO 82 HG2 PRO 82 17.466 6.185 11.208 613 HG3 PRO 82 HG3 PRO 82 17.439 7.567 10.094 614 HD2 PRO 82 HD2 PRO 82 15.179 6.394 11.260 615 HD3 PRO 82 HD3 PRO 82 15.160 7.418 9.810 Start of MODEL 18 1 H MET 1 H1 MET 1 -5.617 8.280 10.024 2 HA MET 1 HA MET 1 -6.853 6.450 8.043 3 HB2 MET 1 HB2 MET 1 -5.284 7.416 6.380 4 HB3 MET 1 HB3 MET 1 -6.392 8.621 7.007 5 HG2 MET 1 HG2 MET 1 -4.163 8.854 8.671 6 HG3 MET 1 HG3 MET 1 -3.476 8.587 7.075 7 HE1 MET 1 HE1 MET 1 -4.166 10.173 4.928 8 HE2 MET 1 HE2 MET 1 -5.182 11.607 5.085 9 HE3 MET 1 HE3 MET 1 -5.890 10.002 5.272 10 H THR 2 H THR 2 -5.446 4.772 7.282 11 HA THR 2 HA THR 2 -4.001 3.571 9.469 12 HB THR 2 HB THR 2 -4.548 2.540 6.645 13 HG1 THR 2 HG1 THR 2 -6.043 2.605 9.022 14 HG21 THR 2 HG21 THR 2 -2.779 1.182 7.646 15 HG22 THR 2 HG22 THR 2 -4.290 0.261 7.645 16 HG23 THR 2 HG23 THR 2 -3.709 1.006 9.140 17 H ARG 3 H ARG 3 -2.039 4.660 9.800 18 HA ARG 3 HA ARG 3 -0.267 5.315 7.550 19 HB2 ARG 3 HB2 ARG 3 0.109 5.944 10.507 20 HB3 ARG 3 HB3 ARG 3 0.983 6.666 9.156 21 HG2 ARG 3 HG2 ARG 3 -1.183 7.671 8.371 22 HG3 ARG 3 HG3 ARG 3 -1.960 7.028 9.820 23 HD2 ARG 3 HD2 ARG 3 0.295 9.065 9.739 24 HD3 ARG 3 HD3 ARG 3 -1.397 9.394 10.110 25 HE ARG 3 HE ARG 3 -0.901 7.694 12.045 26 HH11 ARG 3 HH11 ARG 3 1.321 10.103 10.911 27 HH12 ARG 3 HH12 ARG 3 1.944 10.405 12.494 28 HH21 ARG 3 HH21 ARG 3 -0.055 8.088 14.042 29 HH22 ARG 3 HH22 ARG 3 1.185 9.279 14.235 30 H VAL 4 H VAL 4 1.691 4.326 7.121 31 HA VAL 4 HA VAL 4 2.746 2.278 9.012 32 HB VAL 4 HB VAL 4 2.649 2.060 5.959 33 HG11 VAL 4 HG11 VAL 4 3.702 -0.180 6.231 34 HG12 VAL 4 HG12 VAL 4 3.907 0.131 7.957 35 HG13 VAL 4 HG13 VAL 4 4.772 1.114 6.775 36 HG21 VAL 4 HG21 VAL 4 0.480 1.528 6.999 37 HG22 VAL 4 HG22 VAL 4 1.262 0.376 8.086 38 HG23 VAL 4 HG23 VAL 4 1.228 0.065 6.348 39 H ARG 5 H ARG 5 4.751 2.807 9.700 40 HA ARG 5 HA ARG 5 6.578 4.460 8.103 41 HB2 ARG 5 HB2 ARG 5 6.452 4.911 10.504 42 HB3 ARG 5 HB3 ARG 5 6.828 3.233 10.882 43 HG2 ARG 5 HG2 ARG 5 9.088 3.504 9.980 44 HG3 ARG 5 HG3 ARG 5 8.726 5.164 9.500 45 HD2 ARG 5 HD2 ARG 5 8.724 4.131 12.362 46 HD3 ARG 5 HD3 ARG 5 10.051 5.022 11.606 47 HE ARG 5 HE ARG 5 7.954 6.687 11.260 48 HH11 ARG 5 HH11 ARG 5 9.228 5.162 14.101 49 HH12 ARG 5 HH12 ARG 5 8.702 6.444 15.133 50 HH21 ARG 5 HH21 ARG 5 7.303 8.289 12.606 51 HH22 ARG 5 HH22 ARG 5 7.635 8.178 14.298 52 H SER 6 H SER 6 8.551 3.673 7.237 53 HA SER 6 HA SER 6 9.095 0.788 7.254 54 HB2 SER 6 HB2 SER 6 7.474 1.062 5.420 55 HB3 SER 6 HB3 SER 6 8.470 2.321 4.694 56 HG SER 6 HG SER 6 9.912 0.842 4.050 57 H THR 7 H THR 7 11.142 0.224 6.656 58 HA THR 7 HA THR 7 13.214 2.231 6.688 59 HB THR 7 HB THR 7 14.759 0.188 6.522 60 HG1 THR 7 HG1 THR 7 13.904 -1.798 6.493 61 HG21 THR 7 HG21 THR 7 14.353 -0.484 8.835 62 HG22 THR 7 HG22 THR 7 12.741 0.232 8.780 63 HG23 THR 7 HG23 THR 7 14.171 1.266 8.649 64 HA PRO 8 HA PRO 8 13.810 2.491 2.286 65 HB2 PRO 8 HB2 PRO 8 16.068 3.900 2.197 66 HB3 PRO 8 HB3 PRO 8 14.676 4.527 3.099 67 HG2 PRO 8 HG2 PRO 8 17.079 3.086 4.191 68 HG3 PRO 8 HG3 PRO 8 16.364 4.631 4.711 69 HD2 PRO 8 HD2 PRO 8 15.763 2.207 5.886 70 HD3 PRO 8 HD3 PRO 8 14.655 3.597 5.877 71 H GLY 9 H GLY 9 14.810 1.464 0.539 72 HA2 GLY 9 HA2 GLY 9 16.391 0.190 -0.627 73 HA3 GLY 9 HA3 GLY 9 17.239 -0.150 0.869 74 H GLY 10 H GLY 10 14.469 -0.958 2.022 75 HA2 GLY 10 HA2 GLY 10 14.689 -3.802 1.342 76 HA3 GLY 10 HA3 GLY 10 13.781 -3.105 2.675 77 H ASP 11 H ASP 11 11.968 -4.477 2.102 78 HA ASP 11 HA ASP 11 10.417 -3.410 -0.192 79 HB2 ASP 11 HB2 ASP 11 9.150 -5.464 -0.300 80 HB3 ASP 11 HB3 ASP 11 10.859 -5.854 -0.361 81 H LEU 12 H LEU 12 8.727 -2.177 0.247 82 HA LEU 12 HA LEU 12 7.694 -1.730 2.902 83 HB2 LEU 12 HB2 LEU 12 7.725 0.120 1.332 84 HB3 LEU 12 HB3 LEU 12 6.838 -0.808 0.139 85 HG LEU 12 HG LEU 12 4.823 -0.757 1.630 86 HD11 LEU 12 HD11 LEU 12 4.746 0.802 3.531 87 HD12 LEU 12 HD12 LEU 12 6.473 1.112 3.352 88 HD13 LEU 12 HD13 LEU 12 5.904 -0.499 3.799 89 HD21 LEU 12 HD21 LEU 12 5.063 0.877 -0.191 90 HD22 LEU 12 HD22 LEU 12 5.911 1.980 0.898 91 HD23 LEU 12 HD23 LEU 12 4.218 1.576 1.191 92 H GLU 13 H GLU 13 5.982 -2.807 3.848 93 HA GLU 13 HA GLU 13 4.243 -4.511 2.144 94 HB2 GLU 13 HB2 GLU 13 5.979 -5.910 3.283 95 HB3 GLU 13 HB3 GLU 13 5.422 -5.312 4.841 96 HG2 GLU 13 HG2 GLU 13 3.174 -6.334 4.365 97 HG3 GLU 13 HG3 GLU 13 3.853 -7.035 2.894 98 H LEU 14 H LEU 14 2.376 -3.395 2.243 99 HA LEU 14 HA LEU 14 1.330 -2.327 4.767 100 HB2 LEU 14 HB2 LEU 14 0.041 -2.311 2.002 101 HB3 LEU 14 HB3 LEU 14 -0.440 -1.354 3.398 102 HG LEU 14 HG LEU 14 2.104 -1.020 1.756 103 HD11 LEU 14 HD11 LEU 14 1.177 1.159 1.144 104 HD12 LEU 14 HD12 LEU 14 -0.285 0.821 2.078 105 HD13 LEU 14 HD13 LEU 14 0.102 -0.148 0.653 106 HD21 LEU 14 HD21 LEU 14 2.616 -0.561 4.103 107 HD22 LEU 14 HD22 LEU 14 1.246 0.549 4.212 108 HD23 LEU 14 HD23 LEU 14 2.617 0.928 3.163 109 H VAL 15 H VAL 15 0.686 -4.069 6.004 110 HA VAL 15 HA VAL 15 -1.237 -6.035 4.906 111 HB VAL 15 HB VAL 15 0.124 -5.960 7.646 112 HG11 VAL 15 HG11 VAL 15 -1.629 -8.135 6.417 113 HG12 VAL 15 HG12 VAL 15 -2.054 -7.099 7.782 114 HG13 VAL 15 HG13 VAL 15 -0.750 -8.275 7.943 115 HG21 VAL 15 HG21 VAL 15 1.471 -7.882 6.830 116 HG22 VAL 15 HG22 VAL 15 1.750 -6.431 5.867 117 HG23 VAL 15 HG23 VAL 15 0.725 -7.722 5.236 118 H VAL 16 H VAL 16 -3.315 -5.392 5.030 119 HA VAL 16 HA VAL 16 -4.003 -3.157 6.823 120 HB VAL 16 HB VAL 16 -5.790 -4.129 4.560 121 HG11 VAL 16 HG11 VAL 16 -6.524 -1.772 4.517 122 HG12 VAL 16 HG12 VAL 16 -5.377 -1.377 5.799 123 HG13 VAL 16 HG13 VAL 16 -6.725 -2.468 6.127 124 HG21 VAL 16 HG21 VAL 16 -4.675 -2.577 3.007 125 HG22 VAL 16 HG22 VAL 16 -3.571 -3.841 3.546 126 HG23 VAL 16 HG23 VAL 16 -3.449 -2.222 4.227 127 H HIS 17 H HIS 17 -5.522 -3.298 8.359 128 HA HIS 17 HA HIS 17 -7.074 -5.810 8.707 129 HB2 HIS 17 HB2 HIS 17 -6.101 -3.888 10.877 130 HB3 HIS 17 HB3 HIS 17 -6.910 -5.432 11.130 131 HD1 HIS 17 HD1 HIS 17 -5.486 -7.603 10.674 132 HD2 HIS 17 HD2 HIS 17 -3.338 -4.056 10.416 133 HE1 HIS 17 HE1 HIS 17 -3.075 -8.280 10.618 134 HE2 HIS 17 HE2 HIS 17 -1.793 -6.127 10.428 135 H LEU 18 H LEU 18 -7.882 -3.529 7.097 136 HA LEU 18 HA LEU 18 -9.522 -1.681 8.398 137 HB2 LEU 18 HB2 LEU 18 -10.605 -1.316 6.132 138 HB3 LEU 18 HB3 LEU 18 -8.881 -1.108 6.227 139 HG LEU 18 HG LEU 18 -8.529 -3.277 5.051 140 HD11 LEU 18 HD11 LEU 18 -11.527 -3.424 4.706 141 HD12 LEU 18 HD12 LEU 18 -10.525 -4.536 5.640 142 HD13 LEU 18 HD13 LEU 18 -10.332 -4.444 3.886 143 HD21 LEU 18 HD21 LEU 18 -8.592 -1.191 3.776 144 HD22 LEU 18 HD22 LEU 18 -10.337 -1.354 3.559 145 HD23 LEU 18 HD23 LEU 18 -9.240 -2.525 2.823 146 H SER 19 H SER 19 -11.806 -1.380 8.393 147 HA SER 19 HA SER 19 -13.312 -3.700 9.268 148 HB2 SER 19 HB2 SER 19 -14.145 -0.773 9.061 149 HB3 SER 19 HB3 SER 19 -15.024 -2.036 9.925 150 HG SER 19 HG SER 19 -13.591 -0.643 11.211 151 H GLY 20 H GLY 20 -12.709 -2.697 6.216 152 HA2 GLY 20 HA2 GLY 20 -15.275 -2.563 4.974 153 HA3 GLY 20 HA3 GLY 20 -13.735 -2.802 4.167 154 HA PRO 21 HA PRO 21 -16.361 -6.742 4.028 155 HB2 PRO 21 HB2 PRO 21 -17.042 -6.846 1.443 156 HB3 PRO 21 HB3 PRO 21 -17.805 -5.658 2.517 157 HG2 PRO 21 HG2 PRO 21 -15.504 -5.260 0.590 158 HG3 PRO 21 HG3 PRO 21 -16.966 -4.269 0.796 159 HD2 PRO 21 HD2 PRO 21 -14.544 -3.673 1.988 160 HD3 PRO 21 HD3 PRO 21 -16.111 -3.171 2.655 161 H GLY 22 H GLY 22 -16.149 -8.752 2.558 162 HA2 GLY 22 HA2 GLY 22 -13.354 -9.513 2.278 163 HA3 GLY 22 HA3 GLY 22 -14.759 -10.544 2.061 164 H GLY 23 H GLY 23 -13.407 -7.627 0.462 165 HA2 GLY 23 HA2 GLY 23 -12.558 -7.352 -1.668 166 HA3 GLY 23 HA3 GLY 23 -12.896 -9.033 -2.022 167 HA PRO 24 HA PRO 24 -12.280 -8.029 -4.037 168 HB2 PRO 24 HB2 PRO 24 -12.527 -7.050 -6.546 169 HB3 PRO 24 HB3 PRO 24 -13.226 -8.610 -6.093 170 HG2 PRO 24 HG2 PRO 24 -14.585 -5.956 -6.452 171 HG3 PRO 24 HG3 PRO 24 -15.158 -7.579 -6.881 172 HD2 PRO 24 HD2 PRO 24 -15.878 -6.155 -4.558 173 HD3 PRO 24 HD3 PRO 24 -16.092 -7.899 -4.800 174 H VAL 25 H VAL 25 -11.133 -6.610 -2.732 175 HA VAL 25 HA VAL 25 -11.486 -3.738 -2.803 176 HB VAL 25 HB VAL 25 -9.301 -5.288 -1.360 177 HG11 VAL 25 HG11 VAL 25 -8.870 -2.874 -1.501 178 HG12 VAL 25 HG12 VAL 25 -9.210 -3.350 0.163 179 HG13 VAL 25 HG13 VAL 25 -10.450 -2.533 -0.792 180 HG21 VAL 25 HG21 VAL 25 -12.067 -4.609 -0.297 181 HG22 VAL 25 HG22 VAL 25 -10.744 -5.288 0.652 182 HG23 VAL 25 HG23 VAL 25 -11.455 -6.222 -0.664 183 H ARG 26 H ARG 26 -10.256 -2.274 -3.901 184 HA ARG 26 HA ARG 26 -8.093 -3.177 -5.682 185 HB2 ARG 26 HB2 ARG 26 -9.668 -0.569 -5.595 186 HB3 ARG 26 HB3 ARG 26 -8.436 -0.962 -6.796 187 HG2 ARG 26 HG2 ARG 26 -9.836 -2.851 -7.593 188 HG3 ARG 26 HG3 ARG 26 -11.070 -2.431 -6.399 189 HD2 ARG 26 HD2 ARG 26 -11.400 -0.247 -7.481 190 HD3 ARG 26 HD3 ARG 26 -10.121 -0.613 -8.647 191 HE ARG 26 HE ARG 26 -12.246 -2.554 -8.606 192 HH11 ARG 26 HH11 ARG 26 -11.267 0.449 -10.014 193 HH12 ARG 26 HH12 ARG 26 -12.290 0.247 -11.393 194 HH21 ARG 26 HH21 ARG 26 -13.515 -2.795 -10.372 195 HH22 ARG 26 HH22 ARG 26 -13.548 -1.571 -11.591 196 H TRP 27 H TRP 27 -6.103 -2.067 -5.814 197 HA TRP 27 HA TRP 27 -5.312 -0.439 -3.467 198 HB2 TRP 27 HB2 TRP 27 -3.789 -2.413 -5.186 199 HB3 TRP 27 HB3 TRP 27 -2.906 -1.125 -4.372 200 HD1 TRP 27 HD1 TRP 27 -4.446 -4.502 -3.690 201 HE1 TRP 27 HE1 TRP 27 -4.071 -5.092 -1.217 202 HE3 TRP 27 HE3 TRP 27 -2.910 0.073 -1.992 203 HZ2 TRP 27 HZ2 TRP 27 -3.258 -3.775 1.155 204 HZ3 TRP 27 HZ3 TRP 27 -2.365 0.337 0.395 205 HH2 TRP 27 HH2 TRP 27 -2.539 -1.551 1.934 206 H TYR 28 H TYR 28 -4.611 1.580 -3.733 207 HA TYR 28 HA TYR 28 -3.890 2.612 -6.422 208 HB2 TYR 28 HB2 TYR 28 -5.512 4.076 -4.293 209 HB3 TYR 28 HB3 TYR 28 -4.945 4.797 -5.791 210 HD1 TYR 28 HD2 TYR 28 -7.213 2.117 -4.457 211 HD2 TYR 28 HD1 TYR 28 -6.316 4.676 -7.754 212 HE1 TYR 28 HE2 TYR 28 -9.311 1.462 -5.543 213 HE2 TYR 28 HE1 TYR 28 -8.425 4.027 -8.830 214 HH TYR 28 HH TYR 28 -10.884 2.327 -7.163 215 H LYS 29 H LYS 29 -2.494 4.481 -6.385 216 HA LYS 29 HA LYS 29 -1.158 5.316 -3.929 217 HB2 LYS 29 HB2 LYS 29 0.259 3.441 -4.469 218 HB3 LYS 29 HB3 LYS 29 0.302 3.860 -6.169 219 HG2 LYS 29 HG2 LYS 29 2.447 4.325 -5.018 220 HG3 LYS 29 HG3 LYS 29 1.735 5.771 -5.735 221 HD2 LYS 29 HD2 LYS 29 0.926 6.487 -3.515 222 HD3 LYS 29 HD3 LYS 29 1.582 5.021 -2.786 223 HE2 LYS 29 HE2 LYS 29 3.229 7.169 -4.168 224 HE3 LYS 29 HE3 LYS 29 3.028 7.011 -2.426 225 HZ1 LYS 29 HZ1 LYS 29 5.105 6.064 -3.172 226 HZ2 LYS 29 HZ2 LYS 29 4.295 5.008 -4.216 227 HZ3 LYS 29 HZ3 LYS 29 4.108 4.849 -2.543 228 H ASP 30 H ASP 30 -0.821 7.468 -4.046 229 HA ASP 30 HA ASP 30 -0.518 9.595 -4.763 230 HB2 ASP 30 HB2 ASP 30 1.479 8.344 -5.914 231 HB3 ASP 30 HB3 ASP 30 0.553 8.501 -7.401 232 H GLY 31 H GLY 31 -3.004 8.094 -5.375 233 HA2 GLY 31 HA2 GLY 31 -5.086 8.807 -6.140 234 HA3 GLY 31 HA3 GLY 31 -4.309 9.954 -7.216 235 H GLU 32 H GLU 32 -2.729 7.095 -7.765 236 HA GLU 32 HA GLU 32 -4.536 6.267 -9.977 237 HB2 GLU 32 HB2 GLU 32 -2.674 7.609 -10.870 238 HB3 GLU 32 HB3 GLU 32 -1.497 6.605 -10.030 239 HG2 GLU 32 HG2 GLU 32 -2.196 4.664 -11.437 240 HG3 GLU 32 HG3 GLU 32 -3.313 5.726 -12.300 241 H ARG 33 H ARG 33 -4.955 4.126 -10.079 242 HA ARG 33 HA ARG 33 -4.285 2.394 -7.982 243 HB2 ARG 33 HB2 ARG 33 -5.545 0.660 -9.098 244 HB3 ARG 33 HB3 ARG 33 -6.386 2.183 -9.268 245 HG2 ARG 33 HG2 ARG 33 -4.635 1.075 -11.467 246 HG3 ARG 33 HG3 ARG 33 -6.338 0.630 -11.315 247 HD2 ARG 33 HD2 ARG 33 -6.938 3.044 -11.499 248 HD3 ARG 33 HD3 ARG 33 -5.227 3.425 -11.726 249 HE ARG 33 HE ARG 33 -6.094 1.504 -13.636 250 HH11 ARG 33 HH11 ARG 33 -6.360 4.908 -12.983 251 HH12 ARG 33 HH12 ARG 33 -6.549 5.300 -14.654 252 HH21 ARG 33 HH21 ARG 33 -6.366 2.059 -15.748 253 HH22 ARG 33 HH22 ARG 33 -6.548 3.723 -16.191 254 H LEU 34 H LEU 34 -3.085 0.552 -7.795 255 HA LEU 34 HA LEU 34 -0.701 0.277 -9.486 256 HB2 LEU 34 HB2 LEU 34 -1.413 -1.041 -6.830 257 HB3 LEU 34 HB3 LEU 34 0.099 -1.282 -7.692 258 HG LEU 34 HG LEU 34 -0.849 1.247 -6.310 259 HD11 LEU 34 HD11 LEU 34 0.125 -0.372 -4.815 260 HD12 LEU 34 HD12 LEU 34 1.174 1.033 -4.978 261 HD13 LEU 34 HD13 LEU 34 1.574 -0.467 -5.820 262 HD21 LEU 34 HD21 LEU 34 1.241 2.341 -7.088 263 HD22 LEU 34 HD22 LEU 34 0.176 1.944 -8.432 264 HD23 LEU 34 HD23 LEU 34 1.589 0.937 -8.101 265 H ALA 35 H ALA 35 -0.030 -1.758 -10.310 266 HA ALA 35 HA ALA 35 -2.129 -3.825 -10.709 267 HB1 ALA 35 HB1 ALA 35 -1.677 -2.569 -12.794 268 HB2 ALA 35 HB2 ALA 35 -1.159 -4.249 -12.942 269 HB3 ALA 35 HB3 ALA 35 0.037 -2.975 -12.681 270 H SER 36 H SER 36 -1.299 -6.020 -10.990 271 HA SER 36 HA SER 36 0.700 -6.792 -9.126 272 HB2 SER 36 HB2 SER 36 0.313 -9.107 -10.058 273 HB3 SER 36 HB3 SER 36 -1.164 -8.281 -9.575 274 HG SER 36 HG SER 36 -1.673 -9.039 -11.530 275 H GLN 37 H GLN 37 2.660 -5.907 -9.594 276 HA GLN 37 HA GLN 37 4.008 -6.502 -12.176 277 HB2 GLN 37 HB2 GLN 37 3.463 -4.079 -11.708 278 HB3 GLN 37 HB3 GLN 37 4.460 -4.161 -10.265 279 HG2 GLN 37 HG2 GLN 37 6.448 -4.570 -11.655 280 HG3 GLN 37 HG3 GLN 37 5.456 -4.504 -13.111 281 HE21 GLN 37 HE21 GLN 37 4.677 -2.472 -13.807 282 HE22 GLN 37 HE22 GLN 37 5.318 -0.989 -13.206 283 H GLY 38 H GLY 38 6.443 -6.706 -11.984 284 HA2 GLY 38 HA2 GLY 38 7.264 -8.719 -10.222 285 HA3 GLY 38 HA3 GLY 38 8.330 -7.726 -11.197 286 H ARG 39 H ARG 39 7.272 -5.266 -9.643 287 HA ARG 39 HA ARG 39 8.651 -5.716 -7.045 288 HB2 ARG 39 HB2 ARG 39 9.543 -3.479 -7.131 289 HB3 ARG 39 HB3 ARG 39 9.944 -4.283 -8.643 290 HG2 ARG 39 HG2 ARG 39 8.028 -3.071 -9.731 291 HG3 ARG 39 HG3 ARG 39 7.780 -2.195 -8.216 292 HD2 ARG 39 HD2 ARG 39 10.243 -2.105 -9.997 293 HD3 ARG 39 HD3 ARG 39 9.073 -0.813 -9.742 294 HE ARG 39 HE ARG 39 9.901 -0.557 -7.493 295 HH11 ARG 39 HH11 ARG 39 11.914 -2.577 -9.474 296 HH12 ARG 39 HH12 ARG 39 13.310 -2.307 -8.495 297 HH21 ARG 39 HH21 ARG 39 11.729 -0.239 -6.281 298 HH22 ARG 39 HH22 ARG 39 13.206 -1.016 -6.734 299 H VAL 40 H VAL 40 5.662 -5.373 -8.254 300 HA VAL 40 HA VAL 40 4.588 -3.971 -5.867 301 HB VAL 40 HB VAL 40 3.430 -3.810 -8.701 302 HG11 VAL 40 HG11 VAL 40 1.650 -3.811 -6.999 303 HG12 VAL 40 HG12 VAL 40 1.777 -2.232 -7.773 304 HG13 VAL 40 HG13 VAL 40 2.439 -2.476 -6.154 305 HG21 VAL 40 HG21 VAL 40 4.753 -1.613 -7.053 306 HG22 VAL 40 HG22 VAL 40 3.995 -1.402 -8.634 307 HG23 VAL 40 HG23 VAL 40 5.443 -2.398 -8.477 308 H GLN 41 H GLN 41 4.333 -5.979 -4.839 309 HA GLN 41 HA GLN 41 2.897 -8.196 -6.083 310 HB2 GLN 41 HB2 GLN 41 4.065 -7.972 -3.277 311 HB3 GLN 41 HB3 GLN 41 3.529 -9.453 -4.064 312 HG2 GLN 41 HG2 GLN 41 5.343 -9.221 -5.725 313 HG3 GLN 41 HG3 GLN 41 5.878 -7.738 -4.932 314 HE21 GLN 41 HE21 GLN 41 7.362 -10.225 -5.356 315 HE22 GLN 41 HE22 GLN 41 7.848 -10.770 -3.792 316 H LEU 42 H LEU 42 0.690 -8.018 -6.106 317 HA LEU 42 HA LEU 42 -0.753 -6.820 -3.828 318 HB2 LEU 42 HB2 LEU 42 -1.701 -7.564 -6.620 319 HB3 LEU 42 HB3 LEU 42 -2.743 -6.892 -5.371 320 HG LEU 42 HG LEU 42 -0.418 -5.493 -6.764 321 HD11 LEU 42 HD11 LEU 42 -3.388 -4.851 -6.691 322 HD12 LEU 42 HD12 LEU 42 -2.511 -5.555 -8.057 323 HD13 LEU 42 HD13 LEU 42 -2.142 -3.915 -7.528 324 HD21 LEU 42 HD21 LEU 42 -0.942 -3.512 -5.383 325 HD22 LEU 42 HD22 LEU 42 -0.369 -4.855 -4.401 326 HD23 LEU 42 HD23 LEU 42 -2.091 -4.468 -4.442 327 H GLU 43 H GLU 43 -2.197 -7.882 -2.573 328 HA GLU 43 HA GLU 43 -2.796 -10.751 -3.077 329 HB2 GLU 43 HB2 GLU 43 -1.270 -10.383 -1.105 330 HB3 GLU 43 HB3 GLU 43 -2.515 -9.384 -0.358 331 HG2 GLU 43 HG2 GLU 43 -4.033 -11.496 -0.588 332 HG3 GLU 43 HG3 GLU 43 -2.530 -12.373 -0.851 333 H GLN 44 H GLN 44 -4.936 -11.343 -2.972 334 HA GLN 44 HA GLN 44 -6.967 -9.338 -2.133 335 HB2 GLN 44 HB2 GLN 44 -7.001 -9.802 -4.573 336 HB3 GLN 44 HB3 GLN 44 -7.195 -11.523 -4.253 337 HG2 GLN 44 HG2 GLN 44 -9.382 -10.971 -3.108 338 HG3 GLN 44 HG3 GLN 44 -9.196 -9.312 -3.672 339 HE21 GLN 44 HE21 GLN 44 -9.447 -8.890 -5.912 340 HE22 GLN 44 HE22 GLN 44 -10.184 -10.029 -6.976 341 H ALA 45 H ALA 45 -7.516 -9.967 -0.068 342 HA ALA 45 HA ALA 45 -8.860 -12.606 0.217 343 HB1 ALA 45 HB1 ALA 45 -6.810 -12.578 1.613 344 HB2 ALA 45 HB2 ALA 45 -8.264 -12.636 2.607 345 HB3 ALA 45 HB3 ALA 45 -7.379 -11.119 2.425 346 H GLY 46 H GLY 46 -8.662 -9.265 1.463 347 HA2 GLY 46 HA2 GLY 46 -10.769 -7.929 1.033 348 HA3 GLY 46 HA3 GLY 46 -11.611 -9.207 1.895 349 H ALA 47 H ALA 47 -10.927 -9.613 4.153 350 HA ALA 47 HA ALA 47 -10.760 -7.280 5.766 351 HB1 ALA 47 HB1 ALA 47 -11.797 -9.372 6.556 352 HB2 ALA 47 HB2 ALA 47 -10.529 -8.843 7.662 353 HB3 ALA 47 HB3 ALA 47 -10.224 -10.171 6.539 354 H ARG 48 H ARG 48 -8.309 -9.649 4.715 355 HA ARG 48 HA ARG 48 -6.159 -7.791 5.563 356 HB2 ARG 48 HB2 ARG 48 -6.016 -10.165 6.456 357 HB3 ARG 48 HB3 ARG 48 -5.813 -10.724 4.796 358 HG2 ARG 48 HG2 ARG 48 -3.763 -9.250 4.628 359 HG3 ARG 48 HG3 ARG 48 -3.946 -8.887 6.346 360 HD2 ARG 48 HD2 ARG 48 -2.293 -10.608 6.180 361 HD3 ARG 48 HD3 ARG 48 -3.760 -11.390 6.778 362 HE ARG 48 HE ARG 48 -3.489 -11.501 3.916 363 HH11 ARG 48 HH11 ARG 48 -2.622 -13.132 6.852 364 HH12 ARG 48 HH12 ARG 48 -2.283 -14.614 6.030 365 HH21 ARG 48 HH21 ARG 48 -3.040 -13.387 2.912 366 HH22 ARG 48 HH22 ARG 48 -2.532 -14.767 3.829 367 H GLN 49 H GLN 49 -5.788 -6.446 3.890 368 HA GLN 49 HA GLN 49 -5.242 -7.566 1.199 369 HB2 GLN 49 HB2 GLN 49 -5.763 -4.702 2.114 370 HB3 GLN 49 HB3 GLN 49 -5.275 -5.129 0.475 371 HG2 GLN 49 HG2 GLN 49 -7.832 -6.013 1.856 372 HG3 GLN 49 HG3 GLN 49 -7.693 -4.748 0.634 373 HE21 GLN 49 HE21 GLN 49 -7.170 -5.363 -1.520 374 HE22 GLN 49 HE22 GLN 49 -7.482 -6.957 -2.079 375 H VAL 50 H VAL 50 -3.144 -7.515 0.392 376 HA VAL 50 HA VAL 50 -1.077 -6.129 2.004 377 HB VAL 50 HB VAL 50 -0.782 -8.970 0.928 378 HG11 VAL 50 HG11 VAL 50 1.400 -8.989 2.105 379 HG12 VAL 50 HG12 VAL 50 1.179 -7.291 2.543 380 HG13 VAL 50 HG13 VAL 50 1.354 -7.749 0.848 381 HG21 VAL 50 HG21 VAL 50 -0.993 -8.009 3.816 382 HG22 VAL 50 HG22 VAL 50 -0.694 -9.672 3.301 383 HG23 VAL 50 HG23 VAL 50 -2.235 -8.901 2.931 384 H LEU 51 H LEU 51 -0.256 -4.605 0.776 385 HA LEU 51 HA LEU 51 0.584 -5.130 -2.022 386 HB2 LEU 51 HB2 LEU 51 -0.840 -3.217 -1.915 387 HB3 LEU 51 HB3 LEU 51 -0.060 -2.587 -0.493 388 HG LEU 51 HG LEU 51 0.244 -1.330 -2.754 389 HD11 LEU 51 HD11 LEU 51 2.496 -0.567 -2.206 390 HD12 LEU 51 HD12 LEU 51 2.730 -1.951 -1.134 391 HD13 LEU 51 HD13 LEU 51 1.509 -0.736 -0.756 392 HD21 LEU 51 HD21 LEU 51 2.359 -3.448 -3.246 393 HD22 LEU 51 HD22 LEU 51 2.013 -2.012 -4.228 394 HD23 LEU 51 HD23 LEU 51 0.833 -3.307 -4.117 395 H ARG 52 H ARG 52 2.702 -5.619 -2.288 396 HA ARG 52 HA ARG 52 4.664 -4.728 -0.250 397 HB2 ARG 52 HB2 ARG 52 4.934 -7.252 -1.930 398 HB3 ARG 52 HB3 ARG 52 5.918 -6.761 -0.548 399 HG2 ARG 52 HG2 ARG 52 3.910 -7.017 0.913 400 HG3 ARG 52 HG3 ARG 52 2.999 -7.586 -0.486 401 HD2 ARG 52 HD2 ARG 52 3.642 -9.551 0.647 402 HD3 ARG 52 HD3 ARG 52 4.781 -9.429 -0.697 403 HE ARG 52 HE ARG 52 5.491 -8.462 1.998 404 HH11 ARG 52 HH11 ARG 52 6.312 -10.433 -0.723 405 HH12 ARG 52 HH12 ARG 52 7.693 -11.104 0.066 406 HH21 ARG 52 HH21 ARG 52 7.234 -9.350 2.978 407 HH22 ARG 52 HH22 ARG 52 8.215 -10.487 2.126 408 H VAL 53 H VAL 53 5.653 -2.994 -1.159 409 HA VAL 53 HA VAL 53 6.490 -2.964 -3.943 410 HB VAL 53 HB VAL 53 7.061 -0.945 -1.726 411 HG11 VAL 53 HG11 VAL 53 7.673 0.595 -3.587 412 HG12 VAL 53 HG12 VAL 53 7.509 -0.739 -4.729 413 HG13 VAL 53 HG13 VAL 53 8.753 -0.794 -3.479 414 HG21 VAL 53 HG21 VAL 53 5.303 0.443 -2.784 415 HG22 VAL 53 HG22 VAL 53 4.649 -1.095 -2.225 416 HG23 VAL 53 HG23 VAL 53 4.969 -0.849 -3.942 417 H GLN 54 H GLN 54 7.982 -4.574 -4.208 418 HA GLN 54 HA GLN 54 10.246 -5.012 -2.485 419 HB2 GLN 54 HB2 GLN 54 9.206 -6.840 -3.769 420 HB3 GLN 54 HB3 GLN 54 9.625 -6.047 -5.284 421 HG2 GLN 54 HG2 GLN 54 12.017 -6.378 -4.824 422 HG3 GLN 54 HG3 GLN 54 11.626 -7.097 -3.260 423 HE21 GLN 54 HE21 GLN 54 11.506 -7.578 -6.740 424 HE22 GLN 54 HE22 GLN 54 11.265 -9.286 -6.679 425 H GLY 55 H GLY 55 11.857 -3.545 -2.363 426 HA2 GLY 55 HA2 GLY 55 13.734 -2.362 -3.228 427 HA3 GLY 55 HA3 GLY 55 12.956 -2.269 -4.801 428 H ALA 56 H ALA 56 11.525 -1.513 -1.674 429 HA ALA 56 HA ALA 56 10.515 1.021 -2.494 430 HB1 ALA 56 HB1 ALA 56 9.296 -0.420 -0.927 431 HB2 ALA 56 HB2 ALA 56 9.616 1.156 -0.202 432 HB3 ALA 56 HB3 ALA 56 10.586 -0.244 0.264 433 H ARG 57 H ARG 57 11.779 2.790 -2.694 434 HA ARG 57 HA ARG 57 13.244 3.919 -0.513 435 HB2 ARG 57 HB2 ARG 57 14.968 2.324 -1.162 436 HB3 ARG 57 HB3 ARG 57 14.847 2.801 -2.855 437 HG2 ARG 57 HG2 ARG 57 15.734 5.050 -2.269 438 HG3 ARG 57 HG3 ARG 57 15.874 4.545 -0.585 439 HD2 ARG 57 HD2 ARG 57 17.571 2.915 -1.149 440 HD3 ARG 57 HD3 ARG 57 17.326 3.183 -2.879 441 HE ARG 57 HE ARG 57 18.000 5.641 -1.952 442 HH11 ARG 57 HH11 ARG 57 19.582 2.579 -1.653 443 HH12 ARG 57 HH12 ARG 57 21.157 3.290 -1.663 444 HH21 ARG 57 HH21 ARG 57 20.008 6.510 -1.991 445 HH22 ARG 57 HH22 ARG 57 21.392 5.486 -1.844 446 H SER 58 H SER 58 13.025 3.978 -4.100 447 HA SER 58 HA SER 58 14.103 6.552 -4.481 448 HB2 SER 58 HB2 SER 58 12.280 4.970 -6.334 449 HB3 SER 58 HB3 SER 58 13.273 6.345 -6.820 450 HG SER 58 HG SER 58 14.363 4.442 -7.297 451 H GLY 59 H GLY 59 10.667 5.636 -4.970 452 HA2 GLY 59 HA2 GLY 59 9.733 8.169 -3.769 453 HA3 GLY 59 HA3 GLY 59 9.292 7.857 -5.448 454 H ASP 60 H ASP 60 9.686 5.317 -3.144 455 HA ASP 60 HA ASP 60 7.009 4.299 -3.685 456 HB2 ASP 60 HB2 ASP 60 9.291 3.049 -2.090 457 HB3 ASP 60 HB3 ASP 60 7.903 2.212 -2.795 458 H ALA 61 H ALA 61 8.203 6.356 -1.420 459 HA ALA 61 HA ALA 61 6.413 5.654 0.776 460 HB1 ALA 61 HB1 ALA 61 8.091 8.141 0.236 461 HB2 ALA 61 HB2 ALA 61 8.569 6.765 1.235 462 HB3 ALA 61 HB3 ALA 61 7.220 7.785 1.733 463 H GLY 62 H GLY 62 4.647 7.161 1.385 464 HA2 GLY 62 HA2 GLY 62 3.589 9.346 0.663 465 HA3 GLY 62 HA3 GLY 62 3.484 8.626 -0.935 466 H GLU 63 H GLU 63 1.222 9.022 -0.864 467 HA GLU 63 HA GLU 63 -0.373 7.734 1.227 468 HB2 GLU 63 HB2 GLU 63 -1.283 9.601 -0.987 469 HB3 GLU 63 HB3 GLU 63 -2.211 9.094 0.427 470 HG2 GLU 63 HG2 GLU 63 -0.599 10.262 1.897 471 HG3 GLU 63 HG3 GLU 63 0.321 10.773 0.483 472 H TYR 64 H TYR 64 -1.112 5.773 0.913 473 HA TYR 64 HA TYR 64 -1.818 4.753 -1.777 474 HB2 TYR 64 HB2 TYR 64 -1.240 3.287 0.838 475 HB3 TYR 64 HB3 TYR 64 -1.811 2.487 -0.624 476 HD1 TYR 64 HD2 TYR 64 1.038 4.545 0.720 477 HD2 TYR 64 HD1 TYR 64 -0.257 1.800 -2.300 478 HE1 TYR 64 HE2 TYR 64 3.357 4.309 -0.065 479 HE2 TYR 64 HE1 TYR 64 2.056 1.578 -3.085 480 HH TYR 64 HH TYR 64 4.714 2.583 -1.369 481 H LEU 65 H LEU 65 -3.843 3.668 -2.056 482 HA LEU 65 HA LEU 65 -5.915 4.194 -0.000 483 HB2 LEU 65 HB2 LEU 65 -6.098 5.898 -1.768 484 HB3 LEU 65 HB3 LEU 65 -6.166 4.648 -2.992 485 HG LEU 65 HG LEU 65 -8.353 3.860 -2.009 486 HD11 LEU 65 HD11 LEU 65 -8.128 4.690 0.268 487 HD12 LEU 65 HD12 LEU 65 -9.583 5.342 -0.478 488 HD13 LEU 65 HD13 LEU 65 -8.152 6.360 -0.305 489 HD21 LEU 65 HD21 LEU 65 -8.331 5.310 -3.984 490 HD22 LEU 65 HD22 LEU 65 -8.312 6.746 -2.954 491 HD23 LEU 65 HD23 LEU 65 -9.715 5.675 -2.954 492 H CYS 66 H CYS 66 -6.099 2.114 0.737 493 HA CYS 66 HA CYS 66 -6.645 -0.134 -1.030 494 HB2 CYS 66 HB2 CYS 66 -5.493 -0.401 1.187 495 HB3 CYS 66 HB3 CYS 66 -6.981 0.079 1.994 496 HG CYS 66 HG CYS 66 -8.428 -2.141 1.243 497 H ASP 67 H ASP 67 -8.421 0.502 -2.221 498 HA ASP 67 HA ASP 67 -10.802 1.650 -0.943 499 HB2 ASP 67 HB2 ASP 67 -9.930 2.954 -2.746 500 HB3 ASP 67 HB3 ASP 67 -9.782 1.550 -3.795 501 H ALA 68 H ALA 68 -12.119 0.096 -0.195 502 HA ALA 68 HA ALA 68 -12.866 -2.234 -1.837 503 HB1 ALA 68 HB1 ALA 68 -13.492 -1.595 1.064 504 HB2 ALA 68 HB2 ALA 68 -12.184 -2.634 0.500 505 HB3 ALA 68 HB3 ALA 68 -13.861 -3.106 0.226 506 HA PRO 69 HA PRO 69 -16.805 -0.658 -3.258 507 HB2 PRO 69 HB2 PRO 69 -18.006 -3.183 -2.091 508 HB3 PRO 69 HB3 PRO 69 -18.232 -2.469 -3.698 509 HG2 PRO 69 HG2 PRO 69 -16.615 -4.550 -3.410 510 HG3 PRO 69 HG3 PRO 69 -16.124 -3.198 -4.457 511 HD2 PRO 69 HD2 PRO 69 -15.192 -3.881 -1.674 512 HD3 PRO 69 HD3 PRO 69 -14.265 -3.246 -3.053 513 H GLN 70 H GLN 70 -16.905 -1.990 0.060 514 HA GLN 70 HA GLN 70 -19.167 -0.294 0.826 515 HB2 GLN 70 HB2 GLN 70 -17.592 -2.357 2.405 516 HB3 GLN 70 HB3 GLN 70 -18.952 -1.452 3.055 517 HG2 GLN 70 HG2 GLN 70 -19.132 -3.310 0.659 518 HG3 GLN 70 HG3 GLN 70 -19.503 -3.784 2.316 519 HE21 GLN 70 HE21 GLN 70 -21.268 -3.813 0.027 520 HE22 GLN 70 HE22 GLN 70 -22.596 -2.783 0.416 521 H ASP 71 H ASP 71 -15.638 -0.268 1.223 522 HA ASP 71 HA ASP 71 -15.710 2.319 2.546 523 HB2 ASP 71 HB2 ASP 71 -16.052 0.722 4.441 524 HB3 ASP 71 HB3 ASP 71 -14.531 -0.068 4.045 525 H SER 72 H SER 72 -14.024 3.507 1.828 526 HA SER 72 HA SER 72 -11.627 2.237 0.663 527 HB2 SER 72 HB2 SER 72 -11.153 4.508 -0.253 528 HB3 SER 72 HB3 SER 72 -12.746 3.929 -0.724 529 HG SER 72 HG SER 72 -13.684 5.410 0.485 530 H ARG 73 H ARG 73 -9.534 2.602 1.489 531 HA ARG 73 HA ARG 73 -9.362 3.930 4.154 532 HB2 ARG 73 HB2 ARG 73 -9.362 1.274 3.944 533 HB3 ARG 73 HB3 ARG 73 -7.697 1.490 3.433 534 HG2 ARG 73 HG2 ARG 73 -7.714 0.984 5.786 535 HG3 ARG 73 HG3 ARG 73 -7.242 2.677 5.599 536 HD2 ARG 73 HD2 ARG 73 -9.462 3.432 6.230 537 HD3 ARG 73 HD3 ARG 73 -10.082 1.778 6.210 538 HE ARG 73 HE ARG 73 -8.003 1.888 8.075 539 HH11 ARG 73 HH11 ARG 73 -11.133 3.330 7.723 540 HH12 ARG 73 HH12 ARG 73 -11.442 3.293 9.422 541 HH21 ARG 73 HH21 ARG 73 -8.450 1.857 10.237 542 HH22 ARG 73 HH22 ARG 73 -9.950 2.482 10.818 543 H ILE 74 H ILE 74 -7.835 5.539 4.222 544 HA ILE 74 HA ILE 74 -5.810 5.719 2.077 545 HB ILE 74 HB ILE 74 -6.552 7.912 4.087 546 HG12 ILE 74 HG12 ILE 74 -7.543 9.051 1.946 547 HG13 ILE 74 HG13 ILE 74 -7.517 7.446 1.228 548 HG21 ILE 74 HG21 ILE 74 -4.817 8.056 1.583 549 HG22 ILE 74 HG22 ILE 74 -4.251 8.163 3.250 550 HG23 ILE 74 HG23 ILE 74 -5.276 9.437 2.588 551 HD11 ILE 74 HD11 ILE 74 -9.051 6.659 2.958 552 HD12 ILE 74 HD12 ILE 74 -9.710 8.032 2.070 553 HD13 ILE 74 HD13 ILE 74 -9.050 8.268 3.689 554 H PHE 75 H PHE 75 -3.618 5.904 2.498 555 HA PHE 75 HA PHE 75 -2.615 5.193 5.196 556 HB2 PHE 75 HB2 PHE 75 -1.670 4.341 2.424 557 HB3 PHE 75 HB3 PHE 75 -0.637 4.188 3.836 558 HD1 PHE 75 HD2 PHE 75 -4.214 3.316 2.974 559 HD2 PHE 75 HD1 PHE 75 -0.503 2.023 4.662 560 HE1 PHE 75 HE2 PHE 75 -5.200 1.123 3.479 561 HE2 PHE 75 HE1 PHE 75 -1.500 -0.174 5.159 562 HZ PHE 75 HZ PHE 75 -3.844 -0.607 4.576 563 H LEU 76 H LEU 76 -1.049 6.578 6.051 564 HA LEU 76 HA LEU 76 0.423 8.382 4.195 565 HB2 LEU 76 HB2 LEU 76 0.113 8.593 7.217 566 HB3 LEU 76 HB3 LEU 76 1.095 9.662 6.232 567 HG LEU 76 HG LEU 76 -1.939 9.442 6.207 568 HD11 LEU 76 HD11 LEU 76 -1.032 10.701 8.109 569 HD12 LEU 76 HD12 LEU 76 -1.895 11.761 6.999 570 HD13 LEU 76 HD13 LEU 76 -0.129 11.745 7.008 571 HD21 LEU 76 HD21 LEU 76 -0.174 11.149 4.412 572 HD22 LEU 76 HD22 LEU 76 -1.930 11.271 4.541 573 HD23 LEU 76 HD23 LEU 76 -1.199 9.801 3.906 574 H VAL 77 H VAL 77 2.003 7.033 3.470 575 HA VAL 77 HA VAL 77 3.532 5.373 5.366 576 HB VAL 77 HB VAL 77 3.424 5.263 2.323 577 HG11 VAL 77 HG11 VAL 77 4.822 3.372 4.257 578 HG12 VAL 77 HG12 VAL 77 5.616 4.482 3.137 579 HG13 VAL 77 HG13 VAL 77 4.667 3.134 2.516 580 HG21 VAL 77 HG21 VAL 77 2.153 3.158 2.646 581 HG22 VAL 77 HG22 VAL 77 1.309 4.534 3.358 582 HG23 VAL 77 HG23 VAL 77 2.183 3.405 4.395 583 H SER 78 H SER 78 5.675 5.621 5.725 584 HA SER 78 HA SER 78 7.235 7.617 4.168 585 HB2 SER 78 HB2 SER 78 8.432 8.172 6.302 586 HB3 SER 78 HB3 SER 78 6.718 8.573 6.367 587 HG SER 78 HG SER 78 8.141 6.844 7.911 588 H VAL 79 H VAL 79 8.569 6.342 2.945 589 HA VAL 79 HA VAL 79 10.186 4.237 4.275 590 HB VAL 79 HB VAL 79 9.956 4.717 1.258 591 HG11 VAL 79 HG11 VAL 79 11.977 3.510 1.985 592 HG12 VAL 79 HG12 VAL 79 10.908 2.449 1.068 593 HG13 VAL 79 HG13 VAL 79 10.980 2.319 2.827 594 HG21 VAL 79 HG21 VAL 79 7.714 4.121 2.079 595 HG22 VAL 79 HG22 VAL 79 8.366 2.700 2.893 596 HG23 VAL 79 HG23 VAL 79 8.397 2.797 1.132 597 H GLU 80 H GLU 80 11.978 5.242 5.079 598 HA GLU 80 HA GLU 80 14.000 6.451 3.596 599 HB2 GLU 80 HB2 GLU 80 13.850 8.861 4.319 600 HB3 GLU 80 HB3 GLU 80 12.547 8.406 3.233 601 HG2 GLU 80 HG2 GLU 80 10.950 8.331 5.026 602 HG3 GLU 80 HG3 GLU 80 12.219 8.463 6.241 603 H GLU 81 H GLU 81 12.368 6.167 6.659 604 HA GLU 81 HA GLU 81 14.533 7.037 8.325 605 HB2 GLU 81 HB2 GLU 81 11.950 5.567 8.995 606 HB3 GLU 81 HB3 GLU 81 13.026 6.309 10.179 607 HG2 GLU 81 HG2 GLU 81 12.588 8.527 9.270 608 HG3 GLU 81 HG3 GLU 81 11.646 7.844 7.950 609 HA PRO 82 HA PRO 82 16.498 3.039 7.602 610 HB2 PRO 82 HB2 PRO 82 18.967 4.067 8.826 611 HB3 PRO 82 HB3 PRO 82 18.612 3.777 7.122 612 HG2 PRO 82 HG2 PRO 82 18.931 6.291 8.178 613 HG3 PRO 82 HG3 PRO 82 17.912 5.951 6.762 614 HD2 PRO 82 HD2 PRO 82 17.082 6.298 9.653 615 HD3 PRO 82 HD3 PRO 82 16.361 6.995 8.178 Start of MODEL 19 1 H MET 1 H1 MET 1 -5.041 8.402 9.766 2 HA MET 1 HA MET 1 -6.269 6.610 7.754 3 HB2 MET 1 HB2 MET 1 -4.032 8.659 7.528 4 HB3 MET 1 HB3 MET 1 -4.295 7.409 6.317 5 HG2 MET 1 HG2 MET 1 -5.270 9.518 5.601 6 HG3 MET 1 HG3 MET 1 -6.535 8.316 5.860 7 HE1 MET 1 HE1 MET 1 -7.228 11.399 5.581 8 HE2 MET 1 HE2 MET 1 -8.349 11.629 6.922 9 HE3 MET 1 HE3 MET 1 -8.454 10.175 5.934 10 H THR 2 H THR 2 -4.920 4.879 7.054 11 HA THR 2 HA THR 2 -3.737 3.494 9.266 12 HB THR 2 HB THR 2 -3.662 2.397 6.431 13 HG1 THR 2 HG1 THR 2 -5.836 2.025 6.427 14 HG21 THR 2 HG21 THR 2 -2.893 0.890 8.202 15 HG22 THR 2 HG22 THR 2 -4.435 0.298 7.564 16 HG23 THR 2 HG23 THR 2 -4.385 1.146 9.114 17 H ARG 3 H ARG 3 -1.802 4.665 9.754 18 HA ARG 3 HA ARG 3 0.198 5.310 7.766 19 HB2 ARG 3 HB2 ARG 3 0.258 5.502 10.805 20 HB3 ARG 3 HB3 ARG 3 1.536 6.106 9.755 21 HG2 ARG 3 HG2 ARG 3 -0.033 7.707 8.739 22 HG3 ARG 3 HG3 ARG 3 -1.334 7.104 9.768 23 HD2 ARG 3 HD2 ARG 3 -0.154 7.878 11.768 24 HD3 ARG 3 HD3 ARG 3 1.231 8.374 10.793 25 HE ARG 3 HE ARG 3 -0.147 10.098 9.809 26 HH11 ARG 3 HH11 ARG 3 -1.506 8.671 12.661 27 HH12 ARG 3 HH12 ARG 3 -2.463 10.067 13.013 28 HH21 ARG 3 HH21 ARG 3 -1.364 11.855 10.300 29 HH22 ARG 3 HH22 ARG 3 -2.374 11.848 11.702 30 H VAL 4 H VAL 4 2.173 4.364 7.380 31 HA VAL 4 HA VAL 4 2.967 1.946 8.912 32 HB VAL 4 HB VAL 4 2.976 2.246 5.865 33 HG11 VAL 4 HG11 VAL 4 5.077 1.143 6.536 34 HG12 VAL 4 HG12 VAL 4 4.003 -0.017 5.754 35 HG13 VAL 4 HG13 VAL 4 4.178 -0.025 7.510 36 HG21 VAL 4 HG21 VAL 4 0.796 1.580 6.787 37 HG22 VAL 4 HG22 VAL 4 1.546 0.259 7.686 38 HG23 VAL 4 HG23 VAL 4 1.520 0.224 5.921 39 H ARG 5 H ARG 5 4.985 1.982 9.615 40 HA ARG 5 HA ARG 5 6.955 3.978 8.747 41 HB2 ARG 5 HB2 ARG 5 6.689 3.652 11.132 42 HB3 ARG 5 HB3 ARG 5 6.862 1.909 10.981 43 HG2 ARG 5 HG2 ARG 5 9.249 2.179 10.429 44 HG3 ARG 5 HG3 ARG 5 9.085 3.935 10.528 45 HD2 ARG 5 HD2 ARG 5 8.585 3.823 12.891 46 HD3 ARG 5 HD3 ARG 5 8.465 2.062 12.836 47 HE ARG 5 HE ARG 5 11.056 3.117 12.087 48 HH11 ARG 5 HH11 ARG 5 9.114 1.999 14.728 49 HH12 ARG 5 HH12 ARG 5 10.481 1.652 15.721 50 HH21 ARG 5 HH21 ARG 5 12.785 2.655 13.400 51 HH22 ARG 5 HH22 ARG 5 12.519 1.993 14.972 52 H SER 6 H SER 6 8.643 3.507 7.389 53 HA SER 6 HA SER 6 9.404 0.711 6.769 54 HB2 SER 6 HB2 SER 6 7.751 1.358 5.040 55 HB3 SER 6 HB3 SER 6 8.678 2.809 4.666 56 HG SER 6 HG SER 6 10.247 1.578 3.743 57 H THR 7 H THR 7 11.499 0.520 5.707 58 HA THR 7 HA THR 7 13.368 2.737 6.296 59 HB THR 7 HB THR 7 15.141 0.852 5.847 60 HG1 THR 7 HG1 THR 7 14.207 -0.918 5.165 61 HG21 THR 7 HG21 THR 7 14.989 0.029 8.166 62 HG22 THR 7 HG22 THR 7 13.356 0.684 8.299 63 HG23 THR 7 HG23 THR 7 14.728 1.775 8.076 64 HA PRO 8 HA PRO 8 14.073 3.474 1.939 65 HB2 PRO 8 HB2 PRO 8 16.287 4.964 2.002 66 HB3 PRO 8 HB3 PRO 8 14.847 5.479 2.892 67 HG2 PRO 8 HG2 PRO 8 17.276 4.055 3.958 68 HG3 PRO 8 HG3 PRO 8 16.476 5.517 4.585 69 HD2 PRO 8 HD2 PRO 8 15.971 2.982 5.544 70 HD3 PRO 8 HD3 PRO 8 14.784 4.302 5.605 71 H GLY 9 H GLY 9 14.370 1.029 1.677 72 HA2 GLY 9 HA2 GLY 9 16.025 0.210 -0.215 73 HA3 GLY 9 HA3 GLY 9 17.136 0.128 1.150 74 H GLY 10 H GLY 10 13.764 -0.860 0.402 75 HA2 GLY 10 HA2 GLY 10 14.252 -3.656 0.826 76 HA3 GLY 10 HA3 GLY 10 13.491 -2.935 2.237 77 H ASP 11 H ASP 11 11.985 -4.788 1.369 78 HA ASP 11 HA ASP 11 10.095 -3.823 -0.655 79 HB2 ASP 11 HB2 ASP 11 8.985 -6.070 -0.353 80 HB3 ASP 11 HB3 ASP 11 10.649 -6.146 -0.907 81 H LEU 12 H LEU 12 8.470 -2.567 -0.077 82 HA LEU 12 HA LEU 12 7.459 -2.210 2.581 83 HB2 LEU 12 HB2 LEU 12 7.477 -0.421 0.843 84 HB3 LEU 12 HB3 LEU 12 6.360 -1.355 -0.137 85 HG LEU 12 HG LEU 12 4.624 -1.099 1.668 86 HD11 LEU 12 HD11 LEU 12 4.949 0.574 3.446 87 HD12 LEU 12 HD12 LEU 12 6.634 0.777 2.960 88 HD13 LEU 12 HD13 LEU 12 6.079 -0.770 3.608 89 HD21 LEU 12 HD21 LEU 12 4.632 0.412 -0.276 90 HD22 LEU 12 HD22 LEU 12 5.719 1.519 0.569 91 HD23 LEU 12 HD23 LEU 12 4.083 1.250 1.174 92 H GLU 13 H GLU 13 5.688 -3.240 3.524 93 HA GLU 13 HA GLU 13 3.809 -4.764 1.814 94 HB2 GLU 13 HB2 GLU 13 5.373 -6.405 2.819 95 HB3 GLU 13 HB3 GLU 13 5.001 -5.795 4.428 96 HG2 GLU 13 HG2 GLU 13 2.683 -6.553 4.221 97 HG3 GLU 13 HG3 GLU 13 2.971 -7.061 2.561 98 H LEU 14 H LEU 14 1.997 -3.632 2.005 99 HA LEU 14 HA LEU 14 1.173 -2.360 4.514 100 HB2 LEU 14 HB2 LEU 14 -0.151 -2.296 1.768 101 HB3 LEU 14 HB3 LEU 14 -0.565 -1.289 3.148 102 HG LEU 14 HG LEU 14 1.971 -1.161 1.478 103 HD11 LEU 14 HD11 LEU 14 1.264 1.121 0.971 104 HD12 LEU 14 HD12 LEU 14 -0.189 0.909 1.951 105 HD13 LEU 14 HD13 LEU 14 0.037 -0.045 0.483 106 HD21 LEU 14 HD21 LEU 14 2.640 -0.842 3.797 107 HD22 LEU 14 HD22 LEU 14 1.378 0.371 4.027 108 HD23 LEU 14 HD23 LEU 14 2.723 0.689 2.929 109 H VAL 15 H VAL 15 0.301 -3.823 5.876 110 HA VAL 15 HA VAL 15 -1.564 -5.905 4.912 111 HB VAL 15 HB VAL 15 -0.463 -5.555 7.747 112 HG11 VAL 15 HG11 VAL 15 -1.715 -7.985 6.395 113 HG12 VAL 15 HG12 VAL 15 -2.488 -6.958 7.603 114 HG13 VAL 15 HG13 VAL 15 -1.085 -7.928 8.046 115 HG21 VAL 15 HG21 VAL 15 1.232 -7.275 7.209 116 HG22 VAL 15 HG22 VAL 15 1.436 -5.842 6.203 117 HG23 VAL 15 HG23 VAL 15 0.695 -7.292 5.527 118 H VAL 16 H VAL 16 -3.661 -5.284 4.874 119 HA VAL 16 HA VAL 16 -4.609 -3.150 6.680 120 HB VAL 16 HB VAL 16 -6.370 -4.187 4.439 121 HG11 VAL 16 HG11 VAL 16 -7.089 -1.837 4.326 122 HG12 VAL 16 HG12 VAL 16 -5.894 -1.400 5.550 123 HG13 VAL 16 HG13 VAL 16 -7.231 -2.474 5.967 124 HG21 VAL 16 HG21 VAL 16 -5.329 -2.682 2.786 125 HG22 VAL 16 HG22 VAL 16 -4.226 -3.964 3.287 126 HG23 VAL 16 HG23 VAL 16 -4.025 -2.334 3.921 127 H HIS 17 H HIS 17 -5.875 -3.667 8.364 128 HA HIS 17 HA HIS 17 -7.250 -6.279 8.473 129 HB2 HIS 17 HB2 HIS 17 -6.458 -4.283 10.626 130 HB3 HIS 17 HB3 HIS 17 -7.545 -5.634 10.949 131 HD1 HIS 17 HD1 HIS 17 -4.007 -5.081 9.604 132 HD2 HIS 17 HD2 HIS 17 -6.249 -7.940 11.622 133 HE1 HIS 17 HE1 HIS 17 -2.428 -6.959 10.094 134 HE2 HIS 17 HE2 HIS 17 -3.739 -8.546 11.518 135 H LEU 18 H LEU 18 -8.096 -3.607 7.055 136 HA LEU 18 HA LEU 18 -10.661 -2.882 7.749 137 HB2 LEU 18 HB2 LEU 18 -9.318 -3.424 5.110 138 HB3 LEU 18 HB3 LEU 18 -11.063 -3.228 5.077 139 HG LEU 18 HG LEU 18 -9.041 -1.155 6.015 140 HD11 LEU 18 HD11 LEU 18 -10.836 -1.201 3.564 141 HD12 LEU 18 HD12 LEU 18 -9.089 -1.450 3.571 142 HD13 LEU 18 HD13 LEU 18 -9.755 0.115 4.036 143 HD21 LEU 18 HD21 LEU 18 -11.071 -0.986 7.362 144 HD22 LEU 18 HD22 LEU 18 -12.072 -0.986 5.908 145 HD23 LEU 18 HD23 LEU 18 -10.982 0.360 6.231 146 H SER 19 H SER 19 -12.676 -3.823 7.818 147 HA SER 19 HA SER 19 -12.939 -6.704 7.572 148 HB2 SER 19 HB2 SER 19 -14.141 -5.424 9.354 149 HB3 SER 19 HB3 SER 19 -15.103 -4.619 8.116 150 HG SER 19 HG SER 19 -15.223 -7.225 9.072 151 H GLY 20 H GLY 20 -12.286 -6.727 5.287 152 HA2 GLY 20 HA2 GLY 20 -14.538 -6.258 3.387 153 HA3 GLY 20 HA3 GLY 20 -12.842 -6.220 2.949 154 HA PRO 21 HA PRO 21 -14.094 -10.769 4.371 155 HB2 PRO 21 HB2 PRO 21 -16.824 -11.024 3.167 156 HB3 PRO 21 HB3 PRO 21 -16.241 -11.489 4.765 157 HG2 PRO 21 HG2 PRO 21 -17.849 -9.353 4.447 158 HG3 PRO 21 HG3 PRO 21 -16.551 -9.363 5.663 159 HD2 PRO 21 HD2 PRO 21 -16.586 -8.065 2.938 160 HD3 PRO 21 HD3 PRO 21 -15.977 -7.430 4.484 161 H GLY 22 H GLY 22 -15.774 -9.948 1.310 162 HA2 GLY 22 HA2 GLY 22 -13.845 -11.607 -0.228 163 HA3 GLY 22 HA3 GLY 22 -15.573 -11.732 -0.515 164 H GLY 23 H GLY 23 -12.717 -9.846 -1.058 165 HA2 GLY 23 HA2 GLY 23 -14.217 -7.711 -2.467 166 HA3 GLY 23 HA3 GLY 23 -12.577 -7.591 -1.869 167 HA PRO 24 HA PRO 24 -10.495 -8.038 -2.229 168 HB2 PRO 24 HB2 PRO 24 -8.363 -7.293 -3.693 169 HB3 PRO 24 HB3 PRO 24 -8.815 -8.999 -3.559 170 HG2 PRO 24 HG2 PRO 24 -9.423 -7.067 -5.801 171 HG3 PRO 24 HG3 PRO 24 -8.776 -8.720 -5.900 172 HD2 PRO 24 HD2 PRO 24 -11.447 -8.122 -6.242 173 HD3 PRO 24 HD3 PRO 24 -10.870 -9.690 -5.636 174 H VAL 25 H VAL 25 -9.175 -5.996 -1.807 175 HA VAL 25 HA VAL 25 -10.648 -3.571 -2.422 176 HB VAL 25 HB VAL 25 -8.137 -4.123 -0.779 177 HG11 VAL 25 HG11 VAL 25 -9.433 -1.394 -1.185 178 HG12 VAL 25 HG12 VAL 25 -7.839 -1.884 -1.760 179 HG13 VAL 25 HG13 VAL 25 -8.149 -1.768 -0.031 180 HG21 VAL 25 HG21 VAL 25 -10.927 -3.199 0.031 181 HG22 VAL 25 HG22 VAL 25 -9.574 -3.469 1.130 182 HG23 VAL 25 HG23 VAL 25 -10.266 -4.821 0.238 183 H ARG 26 H ARG 26 -9.926 -1.834 -3.689 184 HA ARG 26 HA ARG 26 -7.855 -2.410 -5.705 185 HB2 ARG 26 HB2 ARG 26 -10.466 -1.221 -5.842 186 HB3 ARG 26 HB3 ARG 26 -9.348 0.097 -6.157 187 HG2 ARG 26 HG2 ARG 26 -10.142 -1.003 -8.224 188 HG3 ARG 26 HG3 ARG 26 -8.388 -1.101 -8.045 189 HD2 ARG 26 HD2 ARG 26 -9.423 -3.225 -8.859 190 HD3 ARG 26 HD3 ARG 26 -8.524 -3.424 -7.354 191 HE ARG 26 HE ARG 26 -11.120 -2.994 -6.562 192 HH11 ARG 26 HH11 ARG 26 -9.609 -5.350 -8.612 193 HH12 ARG 26 HH12 ARG 26 -10.756 -6.575 -8.193 194 HH21 ARG 26 HH21 ARG 26 -12.514 -4.600 -6.040 195 HH22 ARG 26 HH22 ARG 26 -12.360 -6.156 -6.776 196 H TRP 27 H TRP 27 -5.956 -1.365 -5.694 197 HA TRP 27 HA TRP 27 -5.402 0.598 -3.555 198 HB2 TRP 27 HB2 TRP 27 -3.625 -1.290 -5.145 199 HB3 TRP 27 HB3 TRP 27 -2.970 -0.043 -4.085 200 HD1 TRP 27 HD1 TRP 27 -4.700 -3.458 -3.971 201 HE1 TRP 27 HE1 TRP 27 -4.543 -4.346 -1.563 202 HE3 TRP 27 HE3 TRP 27 -2.953 0.755 -1.674 203 HZ2 TRP 27 HZ2 TRP 27 -3.784 -3.384 0.974 204 HZ3 TRP 27 HZ3 TRP 27 -2.552 0.701 0.753 205 HH2 TRP 27 HH2 TRP 27 -2.955 -1.330 2.049 206 H TYR 28 H TYR 28 -4.727 2.664 -3.986 207 HA TYR 28 HA TYR 28 -3.827 3.366 -6.741 208 HB2 TYR 28 HB2 TYR 28 -5.651 5.057 -4.960 209 HB3 TYR 28 HB3 TYR 28 -5.017 5.548 -6.531 210 HD1 TYR 28 HD1 TYR 28 -5.847 4.421 -8.612 211 HD2 TYR 28 HD2 TYR 28 -7.574 3.533 -4.805 212 HE1 TYR 28 HE1 TYR 28 -7.757 3.387 -9.728 213 HE2 TYR 28 HE2 TYR 28 -9.495 2.490 -5.931 214 HH TYR 28 HH TYR 28 -10.636 2.582 -8.099 215 H LYS 29 H LYS 29 -1.773 4.085 -6.656 216 HA LYS 29 HA LYS 29 -0.788 5.548 -4.264 217 HB2 LYS 29 HB2 LYS 29 0.566 3.627 -4.642 218 HB3 LYS 29 HB3 LYS 29 0.666 3.903 -6.363 219 HG2 LYS 29 HG2 LYS 29 2.800 4.403 -5.220 220 HG3 LYS 29 HG3 LYS 29 2.138 5.834 -6.011 221 HD2 LYS 29 HD2 LYS 29 1.304 6.669 -3.834 222 HD3 LYS 29 HD3 LYS 29 1.921 5.219 -3.033 223 HE2 LYS 29 HE2 LYS 29 3.586 7.336 -4.440 224 HE3 LYS 29 HE3 LYS 29 3.446 7.105 -2.697 225 HZ1 LYS 29 HZ1 LYS 29 4.591 5.138 -4.608 226 HZ2 LYS 29 HZ2 LYS 29 4.470 4.933 -2.934 227 HZ3 LYS 29 HZ3 LYS 29 5.471 6.136 -3.572 228 H ASP 30 H ASP 30 -0.433 7.628 -4.418 229 HA ASP 30 HA ASP 30 -0.224 9.752 -5.124 230 HB2 ASP 30 HB2 ASP 30 1.830 8.694 -6.275 231 HB3 ASP 30 HB3 ASP 30 0.873 8.652 -7.750 232 H GLY 31 H GLY 31 -2.586 7.923 -5.937 233 HA2 GLY 31 HA2 GLY 31 -4.724 8.753 -6.653 234 HA3 GLY 31 HA3 GLY 31 -3.924 9.722 -7.878 235 H GLU 32 H GLU 32 -2.177 7.142 -8.420 236 HA GLU 32 HA GLU 32 -4.059 6.133 -10.492 237 HB2 GLU 32 HB2 GLU 32 -1.992 7.208 -11.336 238 HB3 GLU 32 HB3 GLU 32 -1.007 6.068 -10.430 239 HG2 GLU 32 HG2 GLU 32 -1.836 4.207 -11.782 240 HG3 GLU 32 HG3 GLU 32 -2.946 5.277 -12.632 241 H ARG 33 H ARG 33 -4.394 3.949 -10.804 242 HA ARG 33 HA ARG 33 -4.406 2.246 -8.594 243 HB2 ARG 33 HB2 ARG 33 -5.382 0.605 -9.980 244 HB3 ARG 33 HB3 ARG 33 -5.867 2.124 -10.709 245 HG2 ARG 33 HG2 ARG 33 -3.550 0.434 -11.714 246 HG3 ARG 33 HG3 ARG 33 -5.193 0.329 -12.358 247 HD2 ARG 33 HD2 ARG 33 -5.078 2.605 -13.176 248 HD3 ARG 33 HD3 ARG 33 -3.535 2.875 -12.358 249 HE ARG 33 HE ARG 33 -3.256 0.712 -14.137 250 HH11 ARG 33 HH11 ARG 33 -3.722 4.143 -14.341 251 HH12 ARG 33 HH12 ARG 33 -2.821 4.270 -15.810 252 HH21 ARG 33 HH21 ARG 33 -2.103 0.926 -15.996 253 HH22 ARG 33 HH22 ARG 33 -1.922 2.484 -16.726 254 H LEU 34 H LEU 34 -3.289 0.307 -8.076 255 HA LEU 34 HA LEU 34 -0.552 0.008 -9.119 256 HB2 LEU 34 HB2 LEU 34 -1.989 -1.202 -6.730 257 HB3 LEU 34 HB3 LEU 34 -0.460 -1.848 -7.291 258 HG LEU 34 HG LEU 34 -0.056 -0.375 -5.407 259 HD11 LEU 34 HD11 LEU 34 1.583 1.172 -6.347 260 HD12 LEU 34 HD12 LEU 34 0.877 0.983 -7.954 261 HD13 LEU 34 HD13 LEU 34 1.657 -0.389 -7.163 262 HD21 LEU 34 HD21 LEU 34 -0.615 2.001 -5.425 263 HD22 LEU 34 HD22 LEU 34 -2.061 1.007 -5.564 264 HD23 LEU 34 HD23 LEU 34 -1.411 1.814 -6.991 265 H ALA 35 H ALA 35 0.232 -2.146 -9.683 266 HA ALA 35 HA ALA 35 -1.790 -3.876 -11.012 267 HB1 ALA 35 HB1 ALA 35 -0.316 -3.999 -12.981 268 HB2 ALA 35 HB2 ALA 35 0.827 -2.896 -12.209 269 HB3 ALA 35 HB3 ALA 35 -0.782 -2.328 -12.648 270 H SER 36 H SER 36 -1.530 -5.992 -10.565 271 HA SER 36 HA SER 36 0.423 -6.982 -8.767 272 HB2 SER 36 HB2 SER 36 -0.598 -9.223 -9.226 273 HB3 SER 36 HB3 SER 36 -1.806 -7.986 -8.876 274 HG SER 36 HG SER 36 -1.297 -9.369 -11.232 275 H GLN 37 H GLN 37 2.450 -6.566 -9.611 276 HA GLN 37 HA GLN 37 3.426 -8.258 -11.842 277 HB2 GLN 37 HB2 GLN 37 4.305 -5.421 -11.110 278 HB3 GLN 37 HB3 GLN 37 5.031 -6.414 -12.374 279 HG2 GLN 37 HG2 GLN 37 2.924 -6.385 -13.641 280 HG3 GLN 37 HG3 GLN 37 2.147 -5.450 -12.363 281 HE21 GLN 37 HE21 GLN 37 2.730 -3.247 -12.109 282 HE22 GLN 37 HE22 GLN 37 3.526 -2.377 -13.371 283 H GLY 38 H GLY 38 6.123 -7.951 -11.605 284 HA2 GLY 38 HA2 GLY 38 6.884 -9.483 -9.316 285 HA3 GLY 38 HA3 GLY 38 7.972 -8.745 -10.480 286 H ARG 39 H ARG 39 7.147 -6.049 -10.086 287 HA ARG 39 HA ARG 39 8.544 -5.221 -7.724 288 HB2 ARG 39 HB2 ARG 39 6.750 -3.660 -9.638 289 HB3 ARG 39 HB3 ARG 39 7.736 -2.924 -8.379 290 HG2 ARG 39 HG2 ARG 39 9.782 -3.694 -9.496 291 HG3 ARG 39 HG3 ARG 39 8.819 -4.499 -10.740 292 HD2 ARG 39 HD2 ARG 39 9.724 -2.281 -11.471 293 HD3 ARG 39 HD3 ARG 39 7.962 -2.369 -11.537 294 HE ARG 39 HE ARG 39 8.949 -1.272 -9.066 295 HH11 ARG 39 HH11 ARG 39 8.232 -0.384 -12.337 296 HH12 ARG 39 HH12 ARG 39 7.862 1.250 -11.910 297 HH21 ARG 39 HH21 ARG 39 8.445 0.809 -8.560 298 HH22 ARG 39 HH22 ARG 39 7.964 1.909 -9.807 299 H VAL 40 H VAL 40 5.134 -4.845 -8.727 300 HA VAL 40 HA VAL 40 4.319 -4.270 -5.950 301 HB VAL 40 HB VAL 40 2.917 -3.682 -8.597 302 HG11 VAL 40 HG11 VAL 40 1.311 -2.352 -7.274 303 HG12 VAL 40 HG12 VAL 40 2.083 -2.901 -5.785 304 HG13 VAL 40 HG13 VAL 40 1.262 -4.059 -6.832 305 HG21 VAL 40 HG21 VAL 40 4.318 -1.792 -6.653 306 HG22 VAL 40 HG22 VAL 40 3.448 -1.306 -8.109 307 HG23 VAL 40 HG23 VAL 40 4.915 -2.273 -8.243 308 H GLN 41 H GLN 41 4.047 -6.308 -5.099 309 HA GLN 41 HA GLN 41 2.463 -8.357 -6.494 310 HB2 GLN 41 HB2 GLN 41 4.236 -8.507 -4.023 311 HB3 GLN 41 HB3 GLN 41 3.440 -9.887 -4.781 312 HG2 GLN 41 HG2 GLN 41 4.782 -9.688 -6.764 313 HG3 GLN 41 HG3 GLN 41 5.418 -8.121 -6.260 314 HE21 GLN 41 HE21 GLN 41 7.063 -8.063 -4.719 315 HE22 GLN 41 HE22 GLN 41 7.954 -9.467 -4.262 316 H LEU 42 H LEU 42 0.333 -8.427 -6.038 317 HA LEU 42 HA LEU 42 -0.722 -7.512 -3.442 318 HB2 LEU 42 HB2 LEU 42 -2.129 -8.266 -6.032 319 HB3 LEU 42 HB3 LEU 42 -2.963 -7.752 -4.571 320 HG LEU 42 HG LEU 42 -1.007 -6.038 -6.164 321 HD11 LEU 42 HD11 LEU 42 -4.025 -5.810 -5.950 322 HD12 LEU 42 HD12 LEU 42 -3.119 -6.324 -7.377 323 HD13 LEU 42 HD13 LEU 42 -2.954 -4.674 -6.778 324 HD21 LEU 42 HD21 LEU 42 -1.736 -4.192 -4.678 325 HD22 LEU 42 HD22 LEU 42 -0.902 -5.466 -3.794 326 HD23 LEU 42 HD23 LEU 42 -2.662 -5.342 -3.709 327 H GLU 43 H GLU 43 -1.533 -8.853 -1.917 328 HA GLU 43 HA GLU 43 -1.883 -11.748 -2.530 329 HB2 GLU 43 HB2 GLU 43 0.185 -10.886 -1.024 330 HB3 GLU 43 HB3 GLU 43 -1.032 -10.852 0.243 331 HG2 GLU 43 HG2 GLU 43 -0.393 -13.320 -1.403 332 HG3 GLU 43 HG3 GLU 43 0.403 -12.931 0.117 333 H GLN 44 H GLN 44 -4.045 -11.951 -2.607 334 HA GLN 44 HA GLN 44 -5.851 -10.332 -0.994 335 HB2 GLN 44 HB2 GLN 44 -6.387 -10.706 -3.360 336 HB3 GLN 44 HB3 GLN 44 -6.375 -12.451 -3.127 337 HG2 GLN 44 HG2 GLN 44 -8.342 -12.212 -1.586 338 HG3 GLN 44 HG3 GLN 44 -8.384 -10.489 -1.958 339 HE21 GLN 44 HE21 GLN 44 -10.398 -12.585 -2.419 340 HE22 GLN 44 HE22 GLN 44 -10.754 -12.520 -4.106 341 H ALA 45 H ALA 45 -6.485 -10.948 0.980 342 HA ALA 45 HA ALA 45 -7.264 -13.774 1.458 343 HB1 ALA 45 HB1 ALA 45 -6.529 -13.554 3.809 344 HB2 ALA 45 HB2 ALA 45 -5.931 -11.926 3.475 345 HB3 ALA 45 HB3 ALA 45 -5.182 -13.317 2.692 346 H GLY 46 H GLY 46 -8.903 -13.943 3.280 347 HA2 GLY 46 HA2 GLY 46 -11.146 -12.227 2.980 348 HA3 GLY 46 HA3 GLY 46 -10.934 -13.444 4.230 349 H ALA 47 H ALA 47 -11.244 -10.178 3.672 350 HA ALA 47 HA ALA 47 -11.182 -8.295 4.892 351 HB1 ALA 47 HB1 ALA 47 -11.867 -9.595 6.881 352 HB2 ALA 47 HB2 ALA 47 -10.798 -8.258 7.307 353 HB3 ALA 47 HB3 ALA 47 -10.172 -9.908 7.260 354 H ARG 48 H ARG 48 -8.244 -10.216 5.668 355 HA ARG 48 HA ARG 48 -6.449 -8.025 5.749 356 HB2 ARG 48 HB2 ARG 48 -5.849 -10.009 6.915 357 HB3 ARG 48 HB3 ARG 48 -6.070 -11.015 5.490 358 HG2 ARG 48 HG2 ARG 48 -4.062 -10.043 4.455 359 HG3 ARG 48 HG3 ARG 48 -3.852 -8.963 5.838 360 HD2 ARG 48 HD2 ARG 48 -3.205 -10.716 7.272 361 HD3 ARG 48 HD3 ARG 48 -3.924 -11.965 6.248 362 HE ARG 48 HE ARG 48 -1.305 -10.751 5.977 363 HH11 ARG 48 HH11 ARG 48 -3.722 -12.641 4.375 364 HH12 ARG 48 HH12 ARG 48 -2.592 -13.318 3.260 365 HH21 ARG 48 HH21 ARG 48 0.098 -11.647 4.544 366 HH22 ARG 48 HH22 ARG 48 -0.470 -12.763 3.348 367 H GLN 49 H GLN 49 -6.021 -6.755 4.047 368 HA GLN 49 HA GLN 49 -5.583 -7.905 1.340 369 HB2 GLN 49 HB2 GLN 49 -5.861 -4.946 1.989 370 HB3 GLN 49 HB3 GLN 49 -6.093 -5.747 0.441 371 HG2 GLN 49 HG2 GLN 49 -7.920 -5.979 2.846 372 HG3 GLN 49 HG3 GLN 49 -8.204 -4.986 1.433 373 HE21 GLN 49 HE21 GLN 49 -9.711 -7.246 2.638 374 HE22 GLN 49 HE22 GLN 49 -9.968 -8.353 1.346 375 H VAL 50 H VAL 50 -3.535 -7.701 0.392 376 HA VAL 50 HA VAL 50 -1.434 -6.280 1.953 377 HB VAL 50 HB VAL 50 -1.129 -8.970 0.549 378 HG11 VAL 50 HG11 VAL 50 0.945 -7.678 0.404 379 HG12 VAL 50 HG12 VAL 50 1.150 -9.023 1.524 380 HG13 VAL 50 HG13 VAL 50 0.919 -7.386 2.144 381 HG21 VAL 50 HG21 VAL 50 -1.126 -8.340 3.532 382 HG22 VAL 50 HG22 VAL 50 -0.804 -9.921 2.814 383 HG23 VAL 50 HG23 VAL 50 -2.398 -9.189 2.649 384 H LEU 51 H LEU 51 -0.472 -4.737 0.846 385 HA LEU 51 HA LEU 51 -0.027 -4.938 -2.092 386 HB2 LEU 51 HB2 LEU 51 -1.419 -3.027 -1.477 387 HB3 LEU 51 HB3 LEU 51 -0.296 -2.518 -0.250 388 HG LEU 51 HG LEU 51 -0.437 -1.093 -2.403 389 HD11 LEU 51 HD11 LEU 51 1.907 -0.527 -2.456 390 HD12 LEU 51 HD12 LEU 51 2.335 -2.041 -1.656 391 HD13 LEU 51 HD13 LEU 51 1.396 -0.824 -0.797 392 HD21 LEU 51 HD21 LEU 51 1.138 -3.397 -3.581 393 HD22 LEU 51 HD22 LEU 51 0.869 -1.824 -4.338 394 HD23 LEU 51 HD23 LEU 51 -0.494 -2.895 -4.032 395 H ARG 52 H ARG 52 2.045 -5.590 -2.524 396 HA ARG 52 HA ARG 52 4.210 -4.804 -0.646 397 HB2 ARG 52 HB2 ARG 52 4.075 -7.231 -2.477 398 HB3 ARG 52 HB3 ARG 52 5.469 -6.788 -1.490 399 HG2 ARG 52 HG2 ARG 52 4.137 -7.069 0.552 400 HG3 ARG 52 HG3 ARG 52 2.719 -7.479 -0.412 401 HD2 ARG 52 HD2 ARG 52 3.906 -9.486 -1.272 402 HD3 ARG 52 HD3 ARG 52 5.303 -9.071 -0.268 403 HE ARG 52 HE ARG 52 3.588 -9.222 1.648 404 HH11 ARG 52 HH11 ARG 52 3.552 -11.311 -1.108 405 HH12 ARG 52 HH12 ARG 52 2.778 -12.588 -0.238 406 HH21 ARG 52 HH21 ARG 52 2.579 -10.851 2.697 407 HH22 ARG 52 HH22 ARG 52 2.238 -12.335 1.871 408 H VAL 53 H VAL 53 5.145 -2.994 -1.459 409 HA VAL 53 HA VAL 53 5.985 -2.916 -4.299 410 HB VAL 53 HB VAL 53 6.028 -0.729 -2.156 411 HG11 VAL 53 HG11 VAL 53 6.917 -0.509 -5.063 412 HG12 VAL 53 HG12 VAL 53 7.966 -0.426 -3.650 413 HG13 VAL 53 HG13 VAL 53 6.773 0.839 -3.929 414 HG21 VAL 53 HG21 VAL 53 3.783 -1.229 -3.063 415 HG22 VAL 53 HG22 VAL 53 4.367 -0.958 -4.704 416 HG23 VAL 53 HG23 VAL 53 4.319 0.378 -3.548 417 H GLN 54 H GLN 54 7.659 -4.427 -4.292 418 HA GLN 54 HA GLN 54 9.954 -4.244 -2.585 419 HB2 GLN 54 HB2 GLN 54 9.450 -6.358 -3.722 420 HB3 GLN 54 HB3 GLN 54 9.627 -5.595 -5.299 421 HG2 GLN 54 HG2 GLN 54 12.015 -5.224 -4.888 422 HG3 GLN 54 HG3 GLN 54 11.859 -5.880 -3.261 423 HE21 GLN 54 HE21 GLN 54 11.858 -6.689 -6.682 424 HE22 GLN 54 HE22 GLN 54 12.133 -8.378 -6.464 425 H GLY 55 H GLY 55 11.041 -2.375 -2.543 426 HA2 GLY 55 HA2 GLY 55 12.763 -1.151 -4.054 427 HA3 GLY 55 HA3 GLY 55 11.337 -0.733 -4.996 428 H ALA 56 H ALA 56 10.695 -0.905 -1.631 429 HA ALA 56 HA ALA 56 10.019 1.810 -1.336 430 HB1 ALA 56 HB1 ALA 56 8.999 0.044 0.034 431 HB2 ALA 56 HB2 ALA 56 9.702 1.305 1.052 432 HB3 ALA 56 HB3 ALA 56 10.545 -0.232 0.836 433 H ARG 57 H ARG 57 11.556 3.380 -1.557 434 HA ARG 57 HA ARG 57 13.862 3.510 0.150 435 HB2 ARG 57 HB2 ARG 57 14.588 1.850 -1.531 436 HB3 ARG 57 HB3 ARG 57 14.275 2.993 -2.824 437 HG2 ARG 57 HG2 ARG 57 16.258 3.797 -0.707 438 HG3 ARG 57 HG3 ARG 57 16.741 2.540 -1.842 439 HD2 ARG 57 HD2 ARG 57 15.871 5.365 -2.536 440 HD3 ARG 57 HD3 ARG 57 17.506 4.698 -2.653 441 HE ARG 57 HE ARG 57 15.491 3.305 -4.200 442 HH11 ARG 57 HH11 ARG 57 17.910 5.775 -4.336 443 HH12 ARG 57 HH12 ARG 57 17.983 5.712 -6.062 444 HH21 ARG 57 HH21 ARG 57 15.582 3.293 -6.351 445 HH22 ARG 57 HH22 ARG 57 16.688 4.326 -7.190 446 H SER 58 H SER 58 12.373 4.865 -2.847 447 HA SER 58 HA SER 58 13.296 7.572 -1.993 448 HB2 SER 58 HB2 SER 58 12.827 6.572 -4.832 449 HB3 SER 58 HB3 SER 58 13.212 8.238 -4.404 450 HG SER 58 HG SER 58 15.148 7.291 -3.369 451 H GLY 59 H GLY 59 10.902 7.133 -4.578 452 HA2 GLY 59 HA2 GLY 59 9.112 8.982 -3.192 453 HA3 GLY 59 HA3 GLY 59 9.002 8.439 -4.859 454 H ASP 60 H ASP 60 9.376 6.006 -2.458 455 HA ASP 60 HA ASP 60 6.766 4.872 -2.966 456 HB2 ASP 60 HB2 ASP 60 8.935 3.924 -1.050 457 HB3 ASP 60 HB3 ASP 60 7.629 2.957 -1.739 458 H ALA 61 H ALA 61 8.152 6.978 -0.626 459 HA ALA 61 HA ALA 61 6.176 6.615 1.458 460 HB1 ALA 61 HB1 ALA 61 7.131 8.701 2.400 461 HB2 ALA 61 HB2 ALA 61 8.105 8.921 0.944 462 HB3 ALA 61 HB3 ALA 61 8.395 7.537 1.999 463 H GLY 62 H GLY 62 4.102 6.980 0.890 464 HA2 GLY 62 HA2 GLY 62 3.124 9.540 0.151 465 HA3 GLY 62 HA3 GLY 62 3.173 8.500 -1.272 466 H GLU 63 H GLU 63 0.805 9.176 -1.002 467 HA GLU 63 HA GLU 63 -0.747 7.721 0.978 468 HB2 GLU 63 HB2 GLU 63 -1.545 9.562 -1.312 469 HB3 GLU 63 HB3 GLU 63 -2.711 8.755 -0.275 470 HG2 GLU 63 HG2 GLU 63 -2.452 11.033 0.458 471 HG3 GLU 63 HG3 GLU 63 -1.791 9.964 1.688 472 H TYR 64 H TYR 64 -1.125 5.618 0.679 473 HA TYR 64 HA TYR 64 -1.810 4.544 -2.001 474 HB2 TYR 64 HB2 TYR 64 -1.039 3.090 0.570 475 HB3 TYR 64 HB3 TYR 64 -1.522 2.287 -0.920 476 HD1 TYR 64 HD2 TYR 64 1.087 4.637 0.460 477 HD2 TYR 64 HD1 TYR 64 0.129 1.726 -2.531 478 HE1 TYR 64 HE2 TYR 64 3.437 4.575 -0.248 479 HE2 TYR 64 HE1 TYR 64 2.480 1.682 -3.238 480 HH TYR 64 HH TYR 64 4.986 3.037 -1.412 481 H LEU 65 H LEU 65 -3.961 4.471 -2.390 482 HA LEU 65 HA LEU 65 -5.871 4.810 -0.213 483 HB2 LEU 65 HB2 LEU 65 -6.031 6.386 -2.069 484 HB3 LEU 65 HB3 LEU 65 -6.115 5.076 -3.236 485 HG LEU 65 HG LEU 65 -8.350 4.407 -2.246 486 HD11 LEU 65 HD11 LEU 65 -8.142 5.378 -0.015 487 HD12 LEU 65 HD12 LEU 65 -9.573 6.000 -0.830 488 HD13 LEU 65 HD13 LEU 65 -8.130 7.007 -0.699 489 HD21 LEU 65 HD21 LEU 65 -8.232 5.742 -4.300 490 HD22 LEU 65 HD22 LEU 65 -8.216 7.232 -3.352 491 HD23 LEU 65 HD23 LEU 65 -9.638 6.186 -3.335 492 H CYS 66 H CYS 66 -6.331 2.825 0.658 493 HA CYS 66 HA CYS 66 -7.223 0.546 -0.846 494 HB2 CYS 66 HB2 CYS 66 -7.756 1.362 2.041 495 HB3 CYS 66 HB3 CYS 66 -8.224 -0.189 1.346 496 HG CYS 66 HG CYS 66 -4.994 0.895 1.548 497 H ASP 67 H ASP 67 -8.696 1.364 -2.380 498 HA ASP 67 HA ASP 67 -10.849 3.071 -2.087 499 HB2 ASP 67 HB2 ASP 67 -10.006 2.248 -4.249 500 HB3 ASP 67 HB3 ASP 67 -10.573 0.623 -3.880 501 H ALA 68 H ALA 68 -10.924 -0.509 -1.794 502 HA ALA 68 HA ALA 68 -11.922 -1.911 -0.363 503 HB1 ALA 68 HB1 ALA 68 -12.750 -1.128 1.801 504 HB2 ALA 68 HB2 ALA 68 -12.770 0.534 1.203 505 HB3 ALA 68 HB3 ALA 68 -11.239 -0.321 1.374 506 HA PRO 69 HA PRO 69 -16.217 -2.149 -1.852 507 HB2 PRO 69 HB2 PRO 69 -16.392 -4.808 -0.596 508 HB3 PRO 69 HB3 PRO 69 -16.320 -4.404 -2.312 509 HG2 PRO 69 HG2 PRO 69 -14.274 -5.663 -1.015 510 HG3 PRO 69 HG3 PRO 69 -14.004 -4.570 -2.390 511 HD2 PRO 69 HD2 PRO 69 -13.772 -3.978 0.570 512 HD3 PRO 69 HD3 PRO 69 -12.645 -3.574 -0.750 513 H GLN 70 H GLN 70 -15.739 -0.777 0.729 514 HA GLN 70 HA GLN 70 -18.409 -0.886 1.751 515 HB2 GLN 70 HB2 GLN 70 -17.387 -2.756 3.060 516 HB3 GLN 70 HB3 GLN 70 -16.168 -1.649 3.684 517 HG2 GLN 70 HG2 GLN 70 -17.915 -2.031 5.350 518 HG3 GLN 70 HG3 GLN 70 -17.935 -0.344 4.835 519 HE21 GLN 70 HE21 GLN 70 -19.346 -3.094 3.064 520 HE22 GLN 70 HE22 GLN 70 -20.979 -2.570 3.218 521 H ASP 71 H ASP 71 -15.151 0.214 2.844 522 HA ASP 71 HA ASP 71 -15.865 3.016 2.556 523 HB2 ASP 71 HB2 ASP 71 -16.821 2.425 4.793 524 HB3 ASP 71 HB3 ASP 71 -15.229 1.893 5.326 525 H SER 72 H SER 72 -14.083 4.166 1.998 526 HA SER 72 HA SER 72 -11.639 2.772 1.461 527 HB2 SER 72 HB2 SER 72 -10.935 4.895 0.361 528 HB3 SER 72 HB3 SER 72 -12.542 4.385 -0.147 529 HG SER 72 HG SER 72 -12.598 6.044 2.038 530 H ARG 73 H ARG 73 -9.650 2.902 2.390 531 HA ARG 73 HA ARG 73 -9.098 4.892 4.526 532 HB2 ARG 73 HB2 ARG 73 -8.370 1.924 4.501 533 HB3 ARG 73 HB3 ARG 73 -7.638 3.081 5.610 534 HG2 ARG 73 HG2 ARG 73 -10.586 2.356 5.481 535 HG3 ARG 73 HG3 ARG 73 -9.431 1.833 6.709 536 HD2 ARG 73 HD2 ARG 73 -9.125 4.169 7.434 537 HD3 ARG 73 HD3 ARG 73 -10.261 4.711 6.192 538 HE ARG 73 HE ARG 73 -11.289 2.753 8.080 539 HH11 ARG 73 HH11 ARG 73 -11.098 6.118 7.290 540 HH12 ARG 73 HH12 ARG 73 -12.385 6.537 8.365 541 HH21 ARG 73 HH21 ARG 73 -12.925 3.320 9.415 542 HH22 ARG 73 HH22 ARG 73 -13.412 4.973 9.540 543 H ILE 74 H ILE 74 -7.344 6.126 4.113 544 HA ILE 74 HA ILE 74 -5.481 5.437 1.965 545 HB ILE 74 HB ILE 74 -5.651 7.911 3.750 546 HG12 ILE 74 HG12 ILE 74 -6.518 7.530 0.837 547 HG13 ILE 74 HG13 ILE 74 -7.608 7.635 2.212 548 HG21 ILE 74 HG21 ILE 74 -3.921 7.462 1.284 549 HG22 ILE 74 HG22 ILE 74 -3.347 7.619 2.944 550 HG23 ILE 74 HG23 ILE 74 -4.098 8.995 2.141 551 HD11 ILE 74 HD11 ILE 74 -7.544 9.711 0.973 552 HD12 ILE 74 HD12 ILE 74 -5.802 9.835 1.214 553 HD13 ILE 74 HD13 ILE 74 -6.896 9.945 2.596 554 H PHE 75 H PHE 75 -3.343 4.955 2.248 555 HA PHE 75 HA PHE 75 -2.311 4.387 4.943 556 HB2 PHE 75 HB2 PHE 75 -1.758 3.243 2.208 557 HB3 PHE 75 HB3 PHE 75 -0.441 3.234 3.369 558 HD1 PHE 75 HD2 PHE 75 -4.048 2.199 3.044 559 HD2 PHE 75 HD1 PHE 75 -0.246 1.452 4.852 560 HE1 PHE 75 HE2 PHE 75 -4.914 0.135 4.058 561 HE2 PHE 75 HE1 PHE 75 -1.125 -0.600 5.865 562 HZ PHE 75 HZ PHE 75 -3.456 -1.263 5.467 563 H LEU 76 H LEU 76 -1.260 6.128 5.750 564 HA LEU 76 HA LEU 76 0.405 7.842 4.051 565 HB2 LEU 76 HB2 LEU 76 0.057 7.896 7.078 566 HB3 LEU 76 HB3 LEU 76 0.805 9.141 6.093 567 HG LEU 76 HG LEU 76 -2.138 8.387 6.131 568 HD11 LEU 76 HD11 LEU 76 -0.769 10.948 7.010 569 HD12 LEU 76 HD12 LEU 76 -1.449 9.714 8.072 570 HD13 LEU 76 HD13 LEU 76 -2.510 10.642 7.016 571 HD21 LEU 76 HD21 LEU 76 -0.779 10.468 4.383 572 HD22 LEU 76 HD22 LEU 76 -2.520 10.222 4.532 573 HD23 LEU 76 HD23 LEU 76 -1.513 8.958 3.833 574 H VAL 77 H VAL 77 2.018 6.491 3.335 575 HA VAL 77 HA VAL 77 3.595 4.874 5.199 576 HB VAL 77 HB VAL 77 3.777 5.170 2.162 577 HG11 VAL 77 HG11 VAL 77 5.221 3.182 3.966 578 HG12 VAL 77 HG12 VAL 77 5.968 4.499 3.061 579 HG13 VAL 77 HG13 VAL 77 5.223 3.154 2.199 580 HG21 VAL 77 HG21 VAL 77 2.712 2.932 2.096 581 HG22 VAL 77 HG22 VAL 77 1.674 4.112 2.893 582 HG23 VAL 77 HG23 VAL 77 2.572 2.938 3.858 583 H SER 78 H SER 78 5.370 5.595 6.124 584 HA SER 78 HA SER 78 6.907 7.858 4.998 585 HB2 SER 78 HB2 SER 78 6.760 6.783 7.848 586 HB3 SER 78 HB3 SER 78 7.829 8.086 7.323 587 HG SER 78 HG SER 78 5.010 8.175 6.988 588 H VAL 79 H VAL 79 8.459 6.991 3.710 589 HA VAL 79 HA VAL 79 10.064 4.688 4.600 590 HB VAL 79 HB VAL 79 10.151 6.260 1.975 591 HG11 VAL 79 HG11 VAL 79 12.342 5.271 2.445 592 HG12 VAL 79 HG12 VAL 79 11.568 4.411 1.116 593 HG13 VAL 79 HG13 VAL 79 11.604 3.692 2.728 594 HG21 VAL 79 HG21 VAL 79 8.051 4.984 2.232 595 HG22 VAL 79 HG22 VAL 79 8.964 3.506 2.540 596 HG23 VAL 79 HG23 VAL 79 9.056 4.288 0.960 597 H GLU 80 H GLU 80 11.656 5.183 5.962 598 HA GLU 80 HA GLU 80 13.505 7.372 5.730 599 HB2 GLU 80 HB2 GLU 80 12.791 8.544 7.831 600 HB3 GLU 80 HB3 GLU 80 11.586 8.666 6.555 601 HG2 GLU 80 HG2 GLU 80 10.230 6.913 7.615 602 HG3 GLU 80 HG3 GLU 80 11.457 6.695 8.862 603 H GLU 81 H GLU 81 14.762 7.565 7.936 604 HA GLU 81 HA GLU 81 16.195 6.659 9.433 605 HB2 GLU 81 HB2 GLU 81 14.132 6.246 10.723 606 HB3 GLU 81 HB3 GLU 81 13.898 4.714 9.894 607 HG2 GLU 81 HG2 GLU 81 16.159 4.004 10.923 608 HG3 GLU 81 HG3 GLU 81 15.999 5.421 11.963 609 HA PRO 82 HA PRO 82 17.857 3.591 6.255 610 HB2 PRO 82 HB2 PRO 82 20.372 4.800 7.419 611 HB3 PRO 82 HB3 PRO 82 19.980 4.420 5.734 612 HG2 PRO 82 HG2 PRO 82 19.875 6.943 6.572 613 HG3 PRO 82 HG3 PRO 82 18.605 6.318 5.493 614 HD2 PRO 82 HD2 PRO 82 18.513 6.773 8.479 615 HD3 PRO 82 HD3 PRO 82 17.271 7.110 7.252 Start of MODEL 20 1 H MET 1 H1 MET 1 -6.367 7.835 10.039 2 HA MET 1 HA MET 1 -7.073 6.089 7.757 3 HB2 MET 1 HB2 MET 1 -4.805 8.116 8.073 4 HB3 MET 1 HB3 MET 1 -5.019 7.043 6.693 5 HG2 MET 1 HG2 MET 1 -6.875 9.279 7.530 6 HG3 MET 1 HG3 MET 1 -5.788 9.266 6.135 7 HE1 MET 1 HE1 MET 1 -8.916 9.940 6.044 8 HE2 MET 1 HE2 MET 1 -9.431 9.061 4.608 9 HE3 MET 1 HE3 MET 1 -7.915 9.962 4.588 10 H THR 2 H THR 2 -5.069 4.804 7.104 11 HA THR 2 HA THR 2 -3.772 3.478 9.391 12 HB THR 2 HB THR 2 -2.836 2.017 7.410 13 HG1 THR 2 HG1 THR 2 -3.579 3.732 5.881 14 HG21 THR 2 HG21 THR 2 -4.631 1.138 8.848 15 HG22 THR 2 HG22 THR 2 -4.893 0.689 7.160 16 HG23 THR 2 HG23 THR 2 -5.840 1.994 7.882 17 H ARG 3 H ARG 3 -1.520 3.588 9.757 18 HA ARG 3 HA ARG 3 0.178 5.222 7.942 19 HB2 ARG 3 HB2 ARG 3 0.184 5.395 10.987 20 HB3 ARG 3 HB3 ARG 3 1.281 6.254 9.909 21 HG2 ARG 3 HG2 ARG 3 -0.609 7.562 9.011 22 HG3 ARG 3 HG3 ARG 3 -1.727 6.674 10.056 23 HD2 ARG 3 HD2 ARG 3 0.524 8.516 10.951 24 HD3 ARG 3 HD3 ARG 3 -1.211 8.831 11.068 25 HE ARG 3 HE ARG 3 -1.186 6.724 12.561 26 HH11 ARG 3 HH11 ARG 3 1.383 9.050 12.523 27 HH12 ARG 3 HH12 ARG 3 1.842 8.699 14.152 28 HH21 ARG 3 HH21 ARG 3 -0.527 6.281 14.622 29 HH22 ARG 3 HH22 ARG 3 0.790 7.169 15.312 30 H VAL 4 H VAL 4 1.844 3.992 7.258 31 HA VAL 4 HA VAL 4 3.072 1.949 9.037 32 HB VAL 4 HB VAL 4 2.395 1.562 6.079 33 HG11 VAL 4 HG11 VAL 4 4.518 0.428 6.620 34 HG12 VAL 4 HG12 VAL 4 3.249 -0.760 6.328 35 HG13 VAL 4 HG13 VAL 4 3.754 -0.399 7.981 36 HG21 VAL 4 HG21 VAL 4 0.380 1.339 7.488 37 HG22 VAL 4 HG22 VAL 4 1.203 0.163 8.515 38 HG23 VAL 4 HG23 VAL 4 0.846 -0.233 6.833 39 H ARG 5 H ARG 5 5.319 1.586 8.736 40 HA ARG 5 HA ARG 5 6.816 3.495 7.018 41 HB2 ARG 5 HB2 ARG 5 7.332 2.732 9.921 42 HB3 ARG 5 HB3 ARG 5 8.611 3.398 8.907 43 HG2 ARG 5 HG2 ARG 5 7.222 5.416 8.517 44 HG3 ARG 5 HG3 ARG 5 5.993 4.767 9.603 45 HD2 ARG 5 HD2 ARG 5 7.437 4.966 11.502 46 HD3 ARG 5 HD3 ARG 5 8.858 5.238 10.490 47 HE ARG 5 HE ARG 5 7.816 7.383 9.825 48 HH11 ARG 5 HH11 ARG 5 6.807 6.008 12.853 49 HH12 ARG 5 HH12 ARG 5 6.442 7.557 13.527 50 HH21 ARG 5 HH21 ARG 5 7.381 9.315 10.735 51 HH22 ARG 5 HH22 ARG 5 6.756 9.394 12.345 52 H SER 6 H SER 6 8.643 2.785 6.010 53 HA SER 6 HA SER 6 9.847 0.172 6.660 54 HB2 SER 6 HB2 SER 6 9.015 1.043 3.857 55 HB3 SER 6 HB3 SER 6 10.127 -0.292 4.170 56 HG SER 6 HG SER 6 8.389 -1.441 4.329 57 H THR 7 H THR 7 12.077 -0.031 5.753 58 HA THR 7 HA THR 7 13.505 2.537 5.743 59 HB THR 7 HB THR 7 15.565 0.808 5.690 60 HG1 THR 7 HG1 THR 7 14.508 -0.989 7.201 61 HG21 THR 7 HG21 THR 7 15.592 0.787 8.152 62 HG22 THR 7 HG22 THR 7 13.903 1.301 8.181 63 HG23 THR 7 HG23 THR 7 15.146 2.376 7.521 64 HA PRO 8 HA PRO 8 14.164 2.624 1.326 65 HB2 PRO 8 HB2 PRO 8 16.426 4.151 1.152 66 HB3 PRO 8 HB3 PRO 8 14.866 4.809 1.671 67 HG2 PRO 8 HG2 PRO 8 17.146 3.831 3.392 68 HG3 PRO 8 HG3 PRO 8 16.284 5.384 3.486 69 HD2 PRO 8 HD2 PRO 8 15.634 3.350 5.109 70 HD3 PRO 8 HD3 PRO 8 14.364 4.397 4.433 71 H GLY 9 H GLY 9 14.935 1.176 -0.094 72 HA2 GLY 9 HA2 GLY 9 16.749 0.043 -1.216 73 HA3 GLY 9 HA3 GLY 9 17.558 -0.159 0.329 74 H GLY 10 H GLY 10 14.748 -0.929 1.450 75 HA2 GLY 10 HA2 GLY 10 14.827 -3.789 0.675 76 HA3 GLY 10 HA3 GLY 10 14.040 -3.107 2.092 77 H ASP 11 H ASP 11 11.901 -3.555 1.921 78 HA ASP 11 HA ASP 11 10.441 -2.530 -0.426 79 HB2 ASP 11 HB2 ASP 11 9.043 -4.510 -0.623 80 HB3 ASP 11 HB3 ASP 11 10.728 -4.985 -0.782 81 H LEU 12 H LEU 12 8.270 -1.945 -0.027 82 HA LEU 12 HA LEU 12 7.505 -1.320 2.706 83 HB2 LEU 12 HB2 LEU 12 7.080 0.250 0.829 84 HB3 LEU 12 HB3 LEU 12 6.059 -0.951 0.051 85 HG LEU 12 HG LEU 12 4.439 -0.789 1.939 86 HD11 LEU 12 HD11 LEU 12 4.626 1.011 3.606 87 HD12 LEU 12 HD12 LEU 12 6.233 1.419 3.000 88 HD13 LEU 12 HD13 LEU 12 5.943 -0.152 3.753 89 HD21 LEU 12 HD21 LEU 12 4.108 0.582 -0.071 90 HD22 LEU 12 HD22 LEU 12 5.064 1.886 0.641 91 HD23 LEU 12 HD23 LEU 12 3.527 1.414 1.370 92 H GLU 13 H GLU 13 5.590 -2.197 3.764 93 HA GLU 13 HA GLU 13 4.116 -4.377 2.442 94 HB2 GLU 13 HB2 GLU 13 5.926 -5.504 3.739 95 HB3 GLU 13 HB3 GLU 13 5.368 -4.705 5.206 96 HG2 GLU 13 HG2 GLU 13 3.195 -5.891 5.023 97 HG3 GLU 13 HG3 GLU 13 3.781 -6.714 3.574 98 H LEU 14 H LEU 14 2.107 -3.551 2.463 99 HA LEU 14 HA LEU 14 1.038 -2.171 4.862 100 HB2 LEU 14 HB2 LEU 14 -0.055 -2.202 2.011 101 HB3 LEU 14 HB3 LEU 14 -0.646 -1.219 3.346 102 HG LEU 14 HG LEU 14 2.043 -0.933 1.948 103 HD11 LEU 14 HD11 LEU 14 0.178 -0.092 0.613 104 HD12 LEU 14 HD12 LEU 14 1.192 1.230 1.184 105 HD13 LEU 14 HD13 LEU 14 -0.362 0.914 1.962 106 HD21 LEU 14 HD21 LEU 14 0.936 0.702 4.255 107 HD22 LEU 14 HD22 LEU 14 2.416 1.041 3.355 108 HD23 LEU 14 HD23 LEU 14 2.299 -0.420 4.325 109 H VAL 15 H VAL 15 0.223 -3.831 6.127 110 HA VAL 15 HA VAL 15 -1.586 -5.845 4.947 111 HB VAL 15 HB VAL 15 -0.571 -5.640 7.829 112 HG11 VAL 15 HG11 VAL 15 -2.048 -7.917 6.433 113 HG12 VAL 15 HG12 VAL 15 -2.709 -6.868 7.688 114 HG13 VAL 15 HG13 VAL 15 -1.393 -7.976 8.072 115 HG21 VAL 15 HG21 VAL 15 0.963 -7.503 7.243 116 HG22 VAL 15 HG22 VAL 15 1.295 -6.070 6.270 117 HG23 VAL 15 HG23 VAL 15 0.418 -7.430 5.565 118 H VAL 16 H VAL 16 -3.767 -5.658 5.137 119 HA VAL 16 HA VAL 16 -4.842 -3.283 6.556 120 HB VAL 16 HB VAL 16 -6.221 -4.570 4.166 121 HG11 VAL 16 HG11 VAL 16 -7.186 -2.324 3.855 122 HG12 VAL 16 HG12 VAL 16 -6.257 -1.719 5.228 123 HG13 VAL 16 HG13 VAL 16 -7.513 -2.933 5.480 124 HG21 VAL 16 HG21 VAL 16 -3.973 -4.128 3.359 125 HG22 VAL 16 HG22 VAL 16 -4.029 -2.486 3.981 126 HG23 VAL 16 HG23 VAL 16 -5.093 -2.958 2.658 127 H HIS 17 H HIS 17 -6.624 -3.495 7.841 128 HA HIS 17 HA HIS 17 -8.333 -5.891 7.688 129 HB2 HIS 17 HB2 HIS 17 -7.114 -4.743 10.238 130 HB3 HIS 17 HB3 HIS 17 -8.488 -5.844 10.245 131 HD1 HIS 17 HD1 HIS 17 -4.792 -5.775 9.911 132 HD2 HIS 17 HD2 HIS 17 -7.879 -8.513 9.407 133 HE1 HIS 17 HE1 HIS 17 -3.682 -8.018 9.742 134 HE2 HIS 17 HE2 HIS 17 -5.573 -9.663 9.592 135 H LEU 18 H LEU 18 -8.801 -3.416 6.475 136 HA LEU 18 HA LEU 18 -10.613 -1.755 7.780 137 HB2 LEU 18 HB2 LEU 18 -11.592 -1.312 5.462 138 HB3 LEU 18 HB3 LEU 18 -9.895 -1.019 5.691 139 HG LEU 18 HG LEU 18 -9.388 -3.179 4.484 140 HD11 LEU 18 HD11 LEU 18 -12.312 -3.194 3.709 141 HD12 LEU 18 HD12 LEU 18 -11.495 -4.382 4.725 142 HD13 LEU 18 HD13 LEU 18 -11.035 -4.216 3.031 143 HD21 LEU 18 HD21 LEU 18 -9.749 -2.247 2.241 144 HD22 LEU 18 HD22 LEU 18 -9.207 -1.010 3.371 145 HD23 LEU 18 HD23 LEU 18 -10.906 -1.083 2.897 146 H SER 19 H SER 19 -12.896 -1.619 7.846 147 HA SER 19 HA SER 19 -14.290 -4.183 8.163 148 HB2 SER 19 HB2 SER 19 -15.153 -1.350 8.902 149 HB3 SER 19 HB3 SER 19 -16.051 -2.822 9.290 150 HG SER 19 HG SER 19 -14.861 -2.360 11.070 151 H GLY 20 H GLY 20 -13.800 -2.272 5.562 152 HA2 GLY 20 HA2 GLY 20 -16.414 -1.768 4.523 153 HA3 GLY 20 HA3 GLY 20 -14.912 -1.711 3.638 154 HA PRO 21 HA PRO 21 -17.176 -6.078 3.034 155 HB2 PRO 21 HB2 PRO 21 -19.637 -4.749 1.925 156 HB3 PRO 21 HB3 PRO 21 -19.488 -6.208 2.911 157 HG2 PRO 21 HG2 PRO 21 -20.398 -3.935 3.995 158 HG3 PRO 21 HG3 PRO 21 -19.319 -5.008 4.915 159 HD2 PRO 21 HD2 PRO 21 -18.649 -2.450 3.452 160 HD3 PRO 21 HD3 PRO 21 -18.118 -3.001 5.056 161 H GLY 22 H GLY 22 -15.831 -6.510 1.349 162 HA2 GLY 22 HA2 GLY 22 -16.618 -6.186 -1.339 163 HA3 GLY 22 HA3 GLY 22 -15.417 -4.952 -0.973 164 H GLY 23 H GLY 23 -15.447 -7.499 -2.678 165 HA2 GLY 23 HA2 GLY 23 -12.799 -8.507 -1.903 166 HA3 GLY 23 HA3 GLY 23 -14.109 -9.675 -1.927 167 HA PRO 24 HA PRO 24 -11.065 -8.460 -2.793 168 HB2 PRO 24 HB2 PRO 24 -9.232 -7.654 -4.599 169 HB3 PRO 24 HB3 PRO 24 -9.667 -9.363 -4.441 170 HG2 PRO 24 HG2 PRO 24 -10.631 -7.343 -6.469 171 HG3 PRO 24 HG3 PRO 24 -10.080 -9.012 -6.731 172 HD2 PRO 24 HD2 PRO 24 -12.747 -8.295 -6.549 173 HD3 PRO 24 HD3 PRO 24 -12.136 -9.914 -6.141 174 H VAL 25 H VAL 25 -10.020 -6.544 -2.101 175 HA VAL 25 HA VAL 25 -11.321 -3.990 -2.681 176 HB VAL 25 HB VAL 25 -9.102 -4.749 -0.720 177 HG11 VAL 25 HG11 VAL 25 -10.664 -2.158 -0.846 178 HG12 VAL 25 HG12 VAL 25 -8.961 -2.362 -1.249 179 HG13 VAL 25 HG13 VAL 25 -9.508 -2.605 0.410 180 HG21 VAL 25 HG21 VAL 25 -12.066 -4.293 -0.200 181 HG22 VAL 25 HG22 VAL 25 -10.847 -4.639 1.030 182 HG23 VAL 25 HG23 VAL 25 -11.239 -5.853 -0.188 183 H ARG 26 H ARG 26 -10.056 -2.087 -3.386 184 HA ARG 26 HA ARG 26 -8.116 -2.819 -5.474 185 HB2 ARG 26 HB2 ARG 26 -9.597 -0.197 -4.969 186 HB3 ARG 26 HB3 ARG 26 -8.580 -0.535 -6.369 187 HG2 ARG 26 HG2 ARG 26 -10.165 -2.248 -7.134 188 HG3 ARG 26 HG3 ARG 26 -11.152 -2.006 -5.691 189 HD2 ARG 26 HD2 ARG 26 -11.579 0.332 -6.385 190 HD3 ARG 26 HD3 ARG 26 -10.618 0.071 -7.845 191 HE ARG 26 HE ARG 26 -12.540 -1.876 -7.933 192 HH11 ARG 26 HH11 ARG 26 -12.670 1.575 -7.719 193 HH12 ARG 26 HH12 ARG 26 -14.169 1.671 -8.566 194 HH21 ARG 26 HH21 ARG 26 -14.454 -1.721 -9.005 195 HH22 ARG 26 HH22 ARG 26 -15.165 -0.169 -9.287 196 H TRP 27 H TRP 27 -6.298 -1.305 -5.877 197 HA TRP 27 HA TRP 27 -5.201 0.042 -3.481 198 HB2 TRP 27 HB2 TRP 27 -3.848 -2.073 -5.193 199 HB3 TRP 27 HB3 TRP 27 -2.886 -0.870 -4.336 200 HD1 TRP 27 HD1 TRP 27 -4.705 -4.136 -3.744 201 HE1 TRP 27 HE1 TRP 27 -4.436 -4.790 -1.274 202 HE3 TRP 27 HE3 TRP 27 -2.856 0.283 -1.931 203 HZ2 TRP 27 HZ2 TRP 27 -3.573 -3.586 1.122 204 HZ3 TRP 27 HZ3 TRP 27 -2.350 0.458 0.472 205 HH2 TRP 27 HH2 TRP 27 -2.705 -1.442 1.968 206 H TYR 28 H TYR 28 -4.531 2.050 -3.883 207 HA TYR 28 HA TYR 28 -3.713 2.883 -6.614 208 HB2 TYR 28 HB2 TYR 28 -5.457 4.498 -4.690 209 HB3 TYR 28 HB3 TYR 28 -4.857 5.073 -6.236 210 HD1 TYR 28 HD1 TYR 28 -5.868 4.273 -8.347 211 HD2 TYR 28 HD2 TYR 28 -7.373 2.907 -4.588 212 HE1 TYR 28 HE1 TYR 28 -7.882 3.443 -9.462 213 HE2 TYR 28 HE2 TYR 28 -9.393 2.064 -5.721 214 HH TYR 28 HH TYR 28 -10.657 2.635 -7.887 215 H LYS 29 H LYS 29 -1.661 3.726 -6.577 216 HA LYS 29 HA LYS 29 -0.747 5.278 -4.195 217 HB2 LYS 29 HB2 LYS 29 0.746 3.434 -4.532 218 HB3 LYS 29 HB3 LYS 29 0.815 3.699 -6.262 219 HG2 LYS 29 HG2 LYS 29 2.914 4.350 -5.160 220 HG3 LYS 29 HG3 LYS 29 2.146 5.715 -5.964 221 HD2 LYS 29 HD2 LYS 29 1.359 6.592 -3.813 222 HD3 LYS 29 HD3 LYS 29 1.995 5.178 -2.971 223 HE2 LYS 29 HE2 LYS 29 3.654 7.247 -4.466 224 HE3 LYS 29 HE3 LYS 29 3.488 7.129 -2.713 225 HZ1 LYS 29 HZ1 LYS 29 5.553 6.132 -3.587 226 HZ2 LYS 29 HZ2 LYS 29 4.636 4.987 -4.427 227 HZ3 LYS 29 HZ3 LYS 29 4.602 5.022 -2.737 228 H ASP 30 H ASP 30 -0.191 7.400 -4.488 229 HA ASP 30 HA ASP 30 -0.337 9.498 -5.323 230 HB2 ASP 30 HB2 ASP 30 1.607 8.745 -6.702 231 HB3 ASP 30 HB3 ASP 30 0.508 8.189 -7.958 232 H GLY 31 H GLY 31 -2.654 7.663 -5.335 233 HA2 GLY 31 HA2 GLY 31 -4.907 7.855 -5.782 234 HA3 GLY 31 HA3 GLY 31 -4.577 9.180 -6.884 235 H GLU 32 H GLU 32 -2.538 6.771 -7.922 236 HA GLU 32 HA GLU 32 -4.479 5.849 -9.969 237 HB2 GLU 32 HB2 GLU 32 -2.636 7.198 -10.885 238 HB3 GLU 32 HB3 GLU 32 -1.450 6.105 -10.186 239 HG2 GLU 32 HG2 GLU 32 -2.079 4.314 -11.663 240 HG3 GLU 32 HG3 GLU 32 -3.529 5.164 -12.190 241 H ARG 33 H ARG 33 -4.706 3.702 -10.402 242 HA ARG 33 HA ARG 33 -4.351 1.920 -8.285 243 HB2 ARG 33 HB2 ARG 33 -5.504 0.304 -9.568 244 HB3 ARG 33 HB3 ARG 33 -6.158 1.844 -10.087 245 HG2 ARG 33 HG2 ARG 33 -4.022 0.326 -11.605 246 HG3 ARG 33 HG3 ARG 33 -5.752 0.173 -11.935 247 HD2 ARG 33 HD2 ARG 33 -5.859 2.534 -12.574 248 HD3 ARG 33 HD3 ARG 33 -4.160 2.758 -12.132 249 HE ARG 33 HE ARG 33 -4.487 0.704 -14.090 250 HH11 ARG 33 HH11 ARG 33 -4.373 4.159 -13.792 251 HH12 ARG 33 HH12 ARG 33 -3.813 4.371 -15.411 252 HH21 ARG 33 HH21 ARG 33 -3.770 1.018 -16.134 253 HH22 ARG 33 HH22 ARG 33 -3.479 2.616 -16.720 254 H LEU 34 H LEU 34 -3.109 0.044 -7.989 255 HA LEU 34 HA LEU 34 -0.560 -0.089 -9.467 256 HB2 LEU 34 HB2 LEU 34 -1.358 -1.299 -6.789 257 HB3 LEU 34 HB3 LEU 34 0.206 -1.522 -7.558 258 HG LEU 34 HG LEU 34 -0.921 1.037 -6.380 259 HD11 LEU 34 HD11 LEU 34 1.103 0.999 -4.985 260 HD12 LEU 34 HD12 LEU 34 1.560 -0.547 -5.710 261 HD13 LEU 34 HD13 LEU 34 0.087 -0.422 -4.747 262 HD21 LEU 34 HD21 LEU 34 1.139 2.195 -7.149 263 HD22 LEU 34 HD22 LEU 34 0.134 1.670 -8.495 264 HD23 LEU 34 HD23 LEU 34 1.587 0.760 -8.075 265 H ALA 35 H ALA 35 -0.272 -1.638 -10.933 266 HA ALA 35 HA ALA 35 -2.048 -3.935 -11.222 267 HB1 ALA 35 HB1 ALA 35 -1.248 -2.730 -13.223 268 HB2 ALA 35 HB2 ALA 35 -0.708 -4.407 -13.250 269 HB3 ALA 35 HB3 ALA 35 0.424 -3.123 -12.815 270 H SER 36 H SER 36 -1.506 -6.073 -10.721 271 HA SER 36 HA SER 36 0.498 -6.633 -8.789 272 HB2 SER 36 HB2 SER 36 -0.157 -9.046 -9.150 273 HB3 SER 36 HB3 SER 36 -1.525 -7.980 -8.854 274 HG SER 36 HG SER 36 -1.040 -9.553 -10.979 275 H GLN 37 H GLN 37 2.539 -6.132 -9.453 276 HA GLN 37 HA GLN 37 3.676 -7.420 -11.884 277 HB2 GLN 37 HB2 GLN 37 4.406 -4.811 -10.478 278 HB3 GLN 37 HB3 GLN 37 5.351 -5.504 -11.791 279 HG2 GLN 37 HG2 GLN 37 2.464 -4.579 -11.994 280 HG3 GLN 37 HG3 GLN 37 3.877 -3.690 -12.568 281 HE21 GLN 37 HE21 GLN 37 1.790 -6.437 -13.159 282 HE22 GLN 37 HE22 GLN 37 2.342 -6.765 -14.759 283 H GLY 38 H GLY 38 6.327 -7.218 -11.530 284 HA2 GLY 38 HA2 GLY 38 7.113 -9.217 -9.680 285 HA3 GLY 38 HA3 GLY 38 8.188 -8.137 -10.553 286 H ARG 39 H ARG 39 7.552 -5.685 -9.606 287 HA ARG 39 HA ARG 39 8.543 -5.564 -6.917 288 HB2 ARG 39 HB2 ARG 39 7.425 -3.408 -8.755 289 HB3 ARG 39 HB3 ARG 39 8.033 -3.076 -7.133 290 HG2 ARG 39 HG2 ARG 39 10.266 -3.949 -7.809 291 HG3 ARG 39 HG3 ARG 39 9.657 -4.191 -9.452 292 HD2 ARG 39 HD2 ARG 39 9.328 -1.816 -9.753 293 HD3 ARG 39 HD3 ARG 39 9.638 -1.498 -8.041 294 HE ARG 39 HE ARG 39 11.850 -2.719 -9.445 295 HH11 ARG 39 HH11 ARG 39 10.398 0.320 -8.604 296 HH12 ARG 39 HH12 ARG 39 11.891 1.179 -8.765 297 HH21 ARG 39 HH21 ARG 39 13.735 -1.584 -9.615 298 HH22 ARG 39 HH22 ARG 39 13.742 0.119 -9.319 299 H VAL 40 H VAL 40 5.375 -4.788 -8.387 300 HA VAL 40 HA VAL 40 4.139 -4.185 -5.839 301 HB VAL 40 HB VAL 40 2.899 -4.404 -8.621 302 HG11 VAL 40 HG11 VAL 40 1.726 -3.171 -6.097 303 HG12 VAL 40 HG12 VAL 40 1.195 -4.672 -6.854 304 HG13 VAL 40 HG13 VAL 40 0.988 -3.140 -7.700 305 HG21 VAL 40 HG21 VAL 40 4.623 -2.639 -8.506 306 HG22 VAL 40 HG22 VAL 40 3.832 -1.933 -7.096 307 HG23 VAL 40 HG23 VAL 40 3.016 -1.927 -8.661 308 H GLN 41 H GLN 41 4.109 -6.027 -4.606 309 HA GLN 41 HA GLN 41 2.870 -8.525 -5.513 310 HB2 GLN 41 HB2 GLN 41 4.059 -7.774 -2.800 311 HB3 GLN 41 HB3 GLN 41 3.578 -9.394 -3.301 312 HG2 GLN 41 HG2 GLN 41 5.352 -9.461 -4.965 313 HG3 GLN 41 HG3 GLN 41 5.774 -7.780 -4.645 314 HE21 GLN 41 HE21 GLN 41 6.905 -7.283 -2.729 315 HE22 GLN 41 HE22 GLN 41 7.707 -8.493 -1.796 316 H LEU 42 H LEU 42 0.651 -8.210 -5.673 317 HA LEU 42 HA LEU 42 -0.850 -6.944 -3.472 318 HB2 LEU 42 HB2 LEU 42 -1.730 -7.849 -6.242 319 HB3 LEU 42 HB3 LEU 42 -2.819 -7.161 -5.044 320 HG LEU 42 HG LEU 42 -0.482 -5.719 -6.371 321 HD11 LEU 42 HD11 LEU 42 -2.418 -6.003 -7.864 322 HD12 LEU 42 HD12 LEU 42 -2.197 -4.315 -7.412 323 HD13 LEU 42 HD13 LEU 42 -3.473 -5.269 -6.650 324 HD21 LEU 42 HD21 LEU 42 -1.263 -3.709 -5.165 325 HD22 LEU 42 HD22 LEU 42 -0.717 -4.961 -4.057 326 HD23 LEU 42 HD23 LEU 42 -2.445 -4.689 -4.292 327 H GLU 43 H GLU 43 -2.006 -8.072 -2.028 328 HA GLU 43 HA GLU 43 -2.645 -10.936 -2.450 329 HB2 GLU 43 HB2 GLU 43 -2.342 -9.242 0.055 330 HB3 GLU 43 HB3 GLU 43 -3.169 -10.795 0.099 331 HG2 GLU 43 HG2 GLU 43 -0.307 -10.450 -0.850 332 HG3 GLU 43 HG3 GLU 43 -0.747 -10.820 0.817 333 H GLN 44 H GLN 44 -4.737 -11.512 -2.771 334 HA GLN 44 HA GLN 44 -6.900 -9.547 -2.303 335 HB2 GLN 44 HB2 GLN 44 -8.284 -10.941 -3.807 336 HB3 GLN 44 HB3 GLN 44 -6.813 -10.394 -4.599 337 HG2 GLN 44 HG2 GLN 44 -5.824 -12.560 -4.510 338 HG3 GLN 44 HG3 GLN 44 -7.019 -13.147 -3.359 339 HE21 GLN 44 HE21 GLN 44 -7.502 -14.907 -4.693 340 HE22 GLN 44 HE22 GLN 44 -8.426 -14.743 -6.140 341 H ALA 45 H ALA 45 -8.533 -9.947 -0.947 342 HA ALA 45 HA ALA 45 -9.537 -12.488 -0.168 343 HB1 ALA 45 HB1 ALA 45 -9.080 -12.402 2.268 344 HB2 ALA 45 HB2 ALA 45 -8.084 -10.962 2.036 345 HB3 ALA 45 HB3 ALA 45 -7.576 -12.503 1.350 346 H GLY 46 H GLY 46 -9.196 -9.107 0.856 347 HA2 GLY 46 HA2 GLY 46 -11.130 -7.599 0.467 348 HA3 GLY 46 HA3 GLY 46 -12.143 -8.837 1.197 349 H ALA 47 H ALA 47 -11.527 -9.485 3.445 350 HA ALA 47 HA ALA 47 -11.313 -7.232 5.207 351 HB1 ALA 47 HB1 ALA 47 -11.494 -8.911 7.003 352 HB2 ALA 47 HB2 ALA 47 -11.255 -10.204 5.826 353 HB3 ALA 47 HB3 ALA 47 -12.697 -9.192 5.744 354 H ARG 48 H ARG 48 -8.965 -9.358 3.798 355 HA ARG 48 HA ARG 48 -6.799 -7.996 5.286 356 HB2 ARG 48 HB2 ARG 48 -7.065 -10.337 6.166 357 HB3 ARG 48 HB3 ARG 48 -6.769 -10.957 4.544 358 HG2 ARG 48 HG2 ARG 48 -4.500 -9.722 4.663 359 HG3 ARG 48 HG3 ARG 48 -4.824 -9.520 6.387 360 HD2 ARG 48 HD2 ARG 48 -3.411 -11.464 6.072 361 HD3 ARG 48 HD3 ARG 48 -5.010 -12.012 6.590 362 HE ARG 48 HE ARG 48 -4.935 -12.023 3.777 363 HH11 ARG 48 HH11 ARG 48 -3.517 -13.788 6.403 364 HH12 ARG 48 HH12 ARG 48 -3.280 -15.203 5.439 365 HH21 ARG 48 HH21 ARG 48 -4.633 -13.852 2.601 366 HH22 ARG 48 HH22 ARG 48 -3.899 -15.240 3.327 367 H GLN 49 H GLN 49 -5.985 -6.702 3.722 368 HA GLN 49 HA GLN 49 -5.183 -7.877 1.104 369 HB2 GLN 49 HB2 GLN 49 -5.686 -4.948 1.815 370 HB3 GLN 49 HB3 GLN 49 -5.221 -5.549 0.225 371 HG2 GLN 49 HG2 GLN 49 -7.803 -6.278 1.647 372 HG3 GLN 49 HG3 GLN 49 -7.656 -4.966 0.481 373 HE21 GLN 49 HE21 GLN 49 -7.367 -5.491 -1.725 374 HE22 GLN 49 HE22 GLN 49 -7.678 -7.070 -2.335 375 H VAL 50 H VAL 50 -2.982 -7.697 0.516 376 HA VAL 50 HA VAL 50 -1.211 -6.049 2.220 377 HB VAL 50 HB VAL 50 -0.456 -8.854 1.293 378 HG11 VAL 50 HG11 VAL 50 1.628 -8.517 2.605 379 HG12 VAL 50 HG12 VAL 50 1.138 -6.855 2.944 380 HG13 VAL 50 HG13 VAL 50 1.488 -7.350 1.287 381 HG21 VAL 50 HG21 VAL 50 -0.997 -7.869 4.123 382 HG22 VAL 50 HG22 VAL 50 -0.425 -9.481 3.686 383 HG23 VAL 50 HG23 VAL 50 -2.035 -8.953 3.191 384 H LEU 51 H LEU 51 -0.478 -4.498 0.937 385 HA LEU 51 HA LEU 51 0.499 -5.113 -1.791 386 HB2 LEU 51 HB2 LEU 51 -1.086 -3.323 -1.794 387 HB3 LEU 51 HB3 LEU 51 -0.338 -2.529 -0.440 388 HG LEU 51 HG LEU 51 -0.133 -1.471 -2.820 389 HD11 LEU 51 HD11 LEU 51 2.044 -0.480 -2.350 390 HD12 LEU 51 HD12 LEU 51 2.368 -1.718 -1.132 391 HD13 LEU 51 HD13 LEU 51 1.049 -0.570 -0.900 392 HD21 LEU 51 HD21 LEU 51 0.631 -3.525 -3.980 393 HD22 LEU 51 HD22 LEU 51 2.157 -3.440 -3.101 394 HD23 LEU 51 HD23 LEU 51 1.697 -2.147 -4.220 395 H ARG 52 H ARG 52 2.579 -5.593 -1.875 396 HA ARG 52 HA ARG 52 4.512 -4.202 -0.108 397 HB2 ARG 52 HB2 ARG 52 4.744 -6.940 -1.427 398 HB3 ARG 52 HB3 ARG 52 6.021 -6.158 -0.495 399 HG2 ARG 52 HG2 ARG 52 4.530 -6.195 1.506 400 HG3 ARG 52 HG3 ARG 52 3.319 -7.066 0.558 401 HD2 ARG 52 HD2 ARG 52 4.620 -8.617 1.943 402 HD3 ARG 52 HD3 ARG 52 4.910 -8.922 0.226 403 HE ARG 52 HE ARG 52 6.855 -7.154 1.426 404 HH11 ARG 52 HH11 ARG 52 6.104 -10.481 0.827 405 HH12 ARG 52 HH12 ARG 52 7.731 -10.993 1.094 406 HH21 ARG 52 HH21 ARG 52 8.929 -7.852 1.736 407 HH22 ARG 52 HH22 ARG 52 9.302 -9.537 1.593 408 H VAL 53 H VAL 53 5.485 -2.570 -1.230 409 HA VAL 53 HA VAL 53 6.052 -2.868 -4.101 410 HB VAL 53 HB VAL 53 6.654 -0.452 -2.332 411 HG11 VAL 53 HG11 VAL 53 6.583 -0.731 -5.369 412 HG12 VAL 53 HG12 VAL 53 8.025 -0.524 -4.374 413 HG13 VAL 53 HG13 VAL 53 6.843 0.779 -4.486 414 HG21 VAL 53 HG21 VAL 53 4.226 -0.852 -2.368 415 HG22 VAL 53 HG22 VAL 53 4.236 -0.914 -4.131 416 HG23 VAL 53 HG23 VAL 53 4.623 0.594 -3.296 417 H GLN 54 H GLN 54 7.758 -4.256 -4.326 418 HA GLN 54 HA GLN 54 10.134 -4.276 -2.769 419 HB2 GLN 54 HB2 GLN 54 9.283 -6.171 -4.212 420 HB3 GLN 54 HB3 GLN 54 9.761 -5.263 -5.633 421 HG2 GLN 54 HG2 GLN 54 11.749 -6.084 -3.501 422 HG3 GLN 54 HG3 GLN 54 11.308 -7.154 -4.823 423 HE21 GLN 54 HE21 GLN 54 11.920 -6.536 -6.979 424 HE22 GLN 54 HE22 GLN 54 13.219 -5.431 -7.244 425 H GLY 55 H GLY 55 11.670 -2.753 -2.697 426 HA2 GLY 55 HA2 GLY 55 13.270 -1.238 -3.601 427 HA3 GLY 55 HA3 GLY 55 12.270 -1.035 -5.033 428 H ALA 56 H ALA 56 11.343 -0.816 -1.595 429 HA ALA 56 HA ALA 56 10.107 1.771 -1.888 430 HB1 ALA 56 HB1 ALA 56 9.249 0.129 -0.269 431 HB2 ALA 56 HB2 ALA 56 9.712 1.625 0.544 432 HB3 ALA 56 HB3 ALA 56 10.763 0.207 0.635 433 H ARG 57 H ARG 57 11.220 3.696 -1.935 434 HA ARG 57 HA ARG 57 13.480 4.234 -0.186 435 HB2 ARG 57 HB2 ARG 57 14.592 3.041 -2.049 436 HB3 ARG 57 HB3 ARG 57 13.867 4.145 -3.213 437 HG2 ARG 57 HG2 ARG 57 15.173 6.017 -2.197 438 HG3 ARG 57 HG3 ARG 57 15.941 4.860 -1.106 439 HD2 ARG 57 HD2 ARG 57 17.401 5.363 -3.013 440 HD3 ARG 57 HD3 ARG 57 16.904 3.667 -3.053 441 HE ARG 57 HE ARG 57 15.299 5.519 -4.631 442 HH11 ARG 57 HH11 ARG 57 17.882 3.206 -4.705 443 HH12 ARG 57 HH12 ARG 57 17.786 3.020 -6.419 444 HH21 ARG 57 HH21 ARG 57 15.195 5.230 -6.809 445 HH22 ARG 57 HH22 ARG 57 16.301 4.153 -7.590 446 H SER 58 H SER 58 12.861 6.185 0.597 447 HA SER 58 HA SER 58 12.248 8.333 0.836 448 HB2 SER 58 HB2 SER 58 13.674 8.599 -1.834 449 HB3 SER 58 HB3 SER 58 13.209 9.972 -0.829 450 HG SER 58 HG SER 58 15.253 9.526 -0.235 451 H GLY 59 H GLY 59 11.750 8.321 -2.729 452 HA2 GLY 59 HA2 GLY 59 9.356 9.860 -2.621 453 HA3 GLY 59 HA3 GLY 59 9.998 9.033 -4.026 454 H ASP 60 H ASP 60 9.804 6.465 -2.206 455 HA ASP 60 HA ASP 60 7.256 5.482 -3.000 456 HB2 ASP 60 HB2 ASP 60 9.320 4.095 -2.441 457 HB3 ASP 60 HB3 ASP 60 9.003 4.408 -0.741 458 H ALA 61 H ALA 61 8.324 7.267 -0.219 459 HA ALA 61 HA ALA 61 6.193 6.806 1.600 460 HB1 ALA 61 HB1 ALA 61 8.053 9.200 1.357 461 HB2 ALA 61 HB2 ALA 61 8.363 7.746 2.304 462 HB3 ALA 61 HB3 ALA 61 7.035 8.818 2.749 463 H GLY 62 H GLY 62 4.167 7.116 0.822 464 HA2 GLY 62 HA2 GLY 62 3.223 9.769 0.161 465 HA3 GLY 62 HA3 GLY 62 3.277 8.678 -1.222 466 H GLU 63 H GLU 63 0.908 9.370 -1.042 467 HA GLU 63 HA GLU 63 -0.689 8.008 0.976 468 HB2 GLU 63 HB2 GLU 63 -1.561 9.705 -1.401 469 HB3 GLU 63 HB3 GLU 63 -2.635 9.043 -0.178 470 HG2 GLU 63 HG2 GLU 63 -2.298 11.357 0.323 471 HG3 GLU 63 HG3 GLU 63 -1.445 10.417 1.548 472 H TYR 64 H TYR 64 -0.901 5.903 0.697 473 HA TYR 64 HA TYR 64 -1.660 4.715 -1.886 474 HB2 TYR 64 HB2 TYR 64 -1.020 3.459 0.813 475 HB3 TYR 64 HB3 TYR 64 -1.533 2.538 -0.601 476 HD1 TYR 64 HD2 TYR 64 1.135 4.910 0.576 477 HD2 TYR 64 HD1 TYR 64 0.099 1.804 -2.179 478 HE1 TYR 64 HE2 TYR 64 3.474 4.772 -0.164 479 HE2 TYR 64 HE1 TYR 64 2.436 1.689 -2.926 480 HH TYR 64 HH TYR 64 4.986 3.050 -1.258 481 H LEU 65 H LEU 65 -3.613 3.306 -1.932 482 HA LEU 65 HA LEU 65 -5.771 4.168 -0.115 483 HB2 LEU 65 HB2 LEU 65 -5.729 5.823 -1.926 484 HB3 LEU 65 HB3 LEU 65 -5.769 4.552 -3.131 485 HG LEU 65 HG LEU 65 -8.077 3.955 -2.461 486 HD11 LEU 65 HD11 LEU 65 -9.342 5.360 -0.893 487 HD12 LEU 65 HD12 LEU 65 -7.873 6.252 -0.493 488 HD13 LEU 65 HD13 LEU 65 -8.005 4.535 -0.097 489 HD21 LEU 65 HD21 LEU 65 -9.209 5.956 -3.329 490 HD22 LEU 65 HD22 LEU 65 -7.751 5.605 -4.253 491 HD23 LEU 65 HD23 LEU 65 -7.750 6.916 -3.070 492 H CYS 66 H CYS 66 -6.140 2.142 0.664 493 HA CYS 66 HA CYS 66 -6.715 -0.135 -1.054 494 HB2 CYS 66 HB2 CYS 66 -5.571 -0.316 1.215 495 HB3 CYS 66 HB3 CYS 66 -7.114 0.085 1.958 496 HG CYS 66 HG CYS 66 -6.533 -2.666 0.002 497 H ASP 67 H ASP 67 -8.531 0.419 -2.261 498 HA ASP 67 HA ASP 67 -10.834 1.719 -0.951 499 HB2 ASP 67 HB2 ASP 67 -9.722 2.889 -2.846 500 HB3 ASP 67 HB3 ASP 67 -10.103 1.538 -3.907 501 H ALA 68 H ALA 68 -12.060 0.024 -0.134 502 HA ALA 68 HA ALA 68 -13.109 -2.114 -1.818 503 HB1 ALA 68 HB1 ALA 68 -13.939 -1.227 0.977 504 HB2 ALA 68 HB2 ALA 68 -12.760 -2.488 0.609 505 HB3 ALA 68 HB3 ALA 68 -14.456 -2.709 0.169 506 HA PRO 69 HA PRO 69 -16.664 0.037 -3.594 507 HB2 PRO 69 HB2 PRO 69 -18.390 -2.283 -2.751 508 HB3 PRO 69 HB3 PRO 69 -18.174 -1.562 -4.356 509 HG2 PRO 69 HG2 PRO 69 -17.015 -3.883 -3.786 510 HG3 PRO 69 HG3 PRO 69 -16.109 -2.654 -4.701 511 HD2 PRO 69 HD2 PRO 69 -15.918 -3.354 -1.761 512 HD3 PRO 69 HD3 PRO 69 -14.613 -3.059 -2.933 513 H GLN 70 H GLN 70 -16.594 -0.497 -0.254 514 HA GLN 70 HA GLN 70 -18.942 1.252 0.210 515 HB2 GLN 70 HB2 GLN 70 -19.368 -1.122 0.893 516 HB3 GLN 70 HB3 GLN 70 -18.019 -1.035 2.016 517 HG2 GLN 70 HG2 GLN 70 -20.365 0.873 2.238 518 HG3 GLN 70 HG3 GLN 70 -20.458 -0.749 2.915 519 HE21 GLN 70 HE21 GLN 70 -20.539 1.856 4.276 520 HE22 GLN 70 HE22 GLN 70 -19.267 1.815 5.440 521 H ASP 71 H ASP 71 -15.707 0.257 1.424 522 HA ASP 71 HA ASP 71 -15.366 2.928 2.664 523 HB2 ASP 71 HB2 ASP 71 -15.925 1.371 4.490 524 HB3 ASP 71 HB3 ASP 71 -14.669 0.254 3.961 525 H SER 72 H SER 72 -13.229 3.724 2.699 526 HA SER 72 HA SER 72 -11.134 2.172 1.284 527 HB2 SER 72 HB2 SER 72 -10.430 4.269 0.151 528 HB3 SER 72 HB3 SER 72 -12.076 3.824 -0.287 529 HG SER 72 HG SER 72 -12.433 5.835 0.239 530 H ARG 73 H ARG 73 -9.208 2.129 2.327 531 HA ARG 73 HA ARG 73 -8.698 3.968 4.597 532 HB2 ARG 73 HB2 ARG 73 -7.411 1.287 3.910 533 HB3 ARG 73 HB3 ARG 73 -6.947 2.302 5.273 534 HG2 ARG 73 HG2 ARG 73 -9.643 0.956 4.899 535 HG3 ARG 73 HG3 ARG 73 -8.342 0.399 5.950 536 HD2 ARG 73 HD2 ARG 73 -9.750 1.490 7.459 537 HD3 ARG 73 HD3 ARG 73 -8.584 2.761 7.084 538 HE ARG 73 HE ARG 73 -11.003 2.735 5.460 539 HH11 ARG 73 HH11 ARG 73 -9.445 4.126 8.221 540 HH12 ARG 73 HH12 ARG 73 -10.595 5.412 8.332 541 HH21 ARG 73 HH21 ARG 73 -12.448 4.361 5.650 542 HH22 ARG 73 HH22 ARG 73 -12.259 5.550 6.895 543 H ILE 74 H ILE 74 -7.245 5.565 4.253 544 HA ILE 74 HA ILE 74 -5.347 5.404 2.016 545 HB ILE 74 HB ILE 74 -6.054 7.736 3.865 546 HG12 ILE 74 HG12 ILE 74 -6.782 8.828 1.661 547 HG13 ILE 74 HG13 ILE 74 -6.528 7.280 0.869 548 HG21 ILE 74 HG21 ILE 74 -3.950 7.710 1.661 549 HG22 ILE 74 HG22 ILE 74 -3.653 7.889 3.391 550 HG23 ILE 74 HG23 ILE 74 -4.510 9.154 2.513 551 HD11 ILE 74 HD11 ILE 74 -8.545 7.852 3.042 552 HD12 ILE 74 HD12 ILE 74 -8.315 6.302 2.230 553 HD13 ILE 74 HD13 ILE 74 -8.877 7.702 1.318 554 H PHE 75 H PHE 75 -3.298 4.776 2.323 555 HA PHE 75 HA PHE 75 -2.207 4.448 5.027 556 HB2 PHE 75 HB2 PHE 75 -1.414 3.288 2.333 557 HB3 PHE 75 HB3 PHE 75 -0.389 3.123 3.749 558 HD1 PHE 75 HD2 PHE 75 -3.869 2.420 2.515 559 HD2 PHE 75 HD1 PHE 75 -0.728 1.314 5.202 560 HE1 PHE 75 HE2 PHE 75 -5.161 0.455 3.237 561 HE2 PHE 75 HE1 PHE 75 -2.028 -0.645 5.909 562 HZ PHE 75 HZ PHE 75 -4.239 -1.068 4.932 563 H LEU 76 H LEU 76 -1.459 6.396 5.618 564 HA LEU 76 HA LEU 76 0.252 8.066 4.005 565 HB2 LEU 76 HB2 LEU 76 -0.239 8.075 7.017 566 HB3 LEU 76 HB3 LEU 76 0.532 9.362 6.096 567 HG LEU 76 HG LEU 76 -2.380 8.497 5.823 568 HD11 LEU 76 HD11 LEU 76 -1.977 9.628 7.952 569 HD12 LEU 76 HD12 LEU 76 -2.944 10.637 6.881 570 HD13 LEU 76 HD13 LEU 76 -1.230 10.992 7.116 571 HD21 LEU 76 HD21 LEU 76 -1.516 9.327 3.680 572 HD22 LEU 76 HD22 LEU 76 -0.920 10.795 4.460 573 HD23 LEU 76 HD23 LEU 76 -2.655 10.481 4.373 574 H VAL 77 H VAL 77 1.960 6.842 3.348 575 HA VAL 77 HA VAL 77 3.537 5.253 5.247 576 HB VAL 77 HB VAL 77 3.582 5.454 2.199 577 HG11 VAL 77 HG11 VAL 77 5.293 3.643 3.952 578 HG12 VAL 77 HG12 VAL 77 5.876 4.974 2.952 579 HG13 VAL 77 HG13 VAL 77 5.170 3.548 2.192 580 HG21 VAL 77 HG21 VAL 77 2.656 3.218 4.053 581 HG22 VAL 77 HG22 VAL 77 2.675 3.141 2.289 582 HG23 VAL 77 HG23 VAL 77 1.614 4.288 3.109 583 H SER 78 H SER 78 5.570 5.745 5.867 584 HA SER 78 HA SER 78 7.062 7.882 4.457 585 HB2 SER 78 HB2 SER 78 7.988 8.627 6.688 586 HB3 SER 78 HB3 SER 78 6.272 8.955 6.470 587 HG SER 78 HG SER 78 5.812 7.184 7.776 588 H VAL 79 H VAL 79 8.586 6.781 3.455 589 HA VAL 79 HA VAL 79 9.979 4.512 4.645 590 HB VAL 79 HB VAL 79 10.297 5.779 1.877 591 HG11 VAL 79 HG11 VAL 79 12.336 4.573 2.530 592 HG12 VAL 79 HG12 VAL 79 11.489 3.684 1.267 593 HG13 VAL 79 HG13 VAL 79 11.390 3.138 2.943 594 HG21 VAL 79 HG21 VAL 79 8.982 3.838 1.043 595 HG22 VAL 79 HG22 VAL 79 8.044 4.833 2.158 596 HG23 VAL 79 HG23 VAL 79 8.727 3.299 2.707 597 H GLU 80 H GLU 80 11.614 4.984 5.975 598 HA GLU 80 HA GLU 80 13.458 7.227 5.555 599 HB2 GLU 80 HB2 GLU 80 12.937 8.181 7.815 600 HB3 GLU 80 HB3 GLU 80 11.597 8.329 6.681 601 HG2 GLU 80 HG2 GLU 80 10.482 6.379 7.727 602 HG3 GLU 80 HG3 GLU 80 11.828 6.215 8.858 603 H GLU 81 H GLU 81 14.823 7.366 7.778 604 HA GLU 81 HA GLU 81 16.584 6.508 8.866 605 HB2 GLU 81 HB2 GLU 81 14.903 5.353 10.256 606 HB3 GLU 81 HB3 GLU 81 14.859 4.008 9.128 607 HG2 GLU 81 HG2 GLU 81 16.153 3.481 11.162 608 HG3 GLU 81 HG3 GLU 81 17.131 3.378 9.699 609 HA PRO 82 HA PRO 82 18.314 5.234 4.736 610 HB2 PRO 82 HB2 PRO 82 20.724 5.857 6.431 611 HB3 PRO 82 HB3 PRO 82 20.447 6.235 4.724 612 HG2 PRO 82 HG2 PRO 82 20.098 8.135 6.537 613 HG3 PRO 82 HG3 PRO 82 18.891 7.944 5.243 614 HD2 PRO 82 HD2 PRO 82 18.713 7.150 8.141 615 HD3 PRO 82 HD3 PRO 82 17.441 7.753 7.053
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