NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
632340 | 6cus | 30404 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HT1 SER 1 2.831 7.590 10.260 2 H2 SER 1 HT2 SER 1 1.709 6.348 10.477 3 H3 SER 1 HT3 SER 1 2.510 6.508 9.000 4 HA SER 1 HA SER 1 3.660 5.702 11.596 5 HB2 SER 1 HB2 SER 1 4.432 3.874 9.703 6 HB3 SER 1 HB1 SER 1 3.025 3.696 10.755 7 HG SER 1 HG SER 1 1.728 4.108 9.124 8 H GLU 2 HN GLU 2 5.981 4.656 10.830 9 HA GLU 2 HA GLU 2 7.364 6.704 9.249 10 HB2 GLU 2 HB2 GLU 2 9.240 6.227 11.114 11 HB3 GLU 2 HB1 GLU 2 8.076 7.537 11.242 12 HG2 GLU 2 HG2 GLU 2 6.778 6.397 12.801 13 HG3 GLU 2 HG1 GLU 2 7.492 4.840 12.402 14 H ALA 3 HN ALA 3 8.197 3.795 11.122 15 HA ALA 3 HA ALA 3 10.262 2.952 9.419 16 HB1 ALA 3 HB1 ALA 3 10.338 0.966 10.707 17 HB2 ALA 3 HB2 ALA 3 8.664 1.156 11.223 18 HB3 ALA 3 HB3 ALA 3 9.900 2.271 11.812 19 H VAL 4 HN VAL 4 6.898 1.807 9.654 20 HA VAL 4 HA VAL 4 7.008 -0.268 7.830 21 HB VAL 4 HB VAL 4 4.661 1.595 8.223 22 HG11 VAL 4 HG11 VAL 4 4.818 -1.235 7.190 23 HG12 VAL 4 HG12 VAL 4 4.366 0.199 6.271 24 HG13 VAL 4 HG13 VAL 4 3.324 -0.382 7.570 25 HG21 VAL 4 HG21 VAL 4 3.911 0.011 9.919 26 HG22 VAL 4 HG22 VAL 4 5.485 0.681 10.346 27 HG23 VAL 4 HG23 VAL 4 5.372 -0.949 9.685 28 H ILE 5 HN ILE 5 6.433 3.168 7.163 29 HA ILE 5 HA ILE 5 5.905 2.859 4.412 30 HB ILE 5 HB ILE 5 7.091 5.302 5.728 31 HG12 ILE 5 HG12 ILE 5 4.178 4.558 5.399 32 HG13 ILE 5 HG11 ILE 5 5.061 4.495 6.919 33 HG21 ILE 5 HG21 ILE 5 5.934 6.489 3.916 34 HG22 ILE 5 HG22 ILE 5 5.412 4.942 3.249 35 HG23 ILE 5 HG23 ILE 5 7.128 5.346 3.302 36 HD11 ILE 5 HD11 ILE 5 4.525 6.962 5.288 37 HD12 ILE 5 HD12 ILE 5 5.413 6.907 6.811 38 HD13 ILE 5 HD13 ILE 5 3.698 6.494 6.773 39 H LYS 6 HN LYS 6 8.892 3.628 6.179 40 HA LYS 6 HA LYS 6 10.552 3.969 3.944 41 HB2 LYS 6 HB2 LYS 6 10.844 3.916 6.762 42 HB3 LYS 6 HB1 LYS 6 12.041 2.815 6.097 43 HG2 LYS 6 HG2 LYS 6 11.686 5.656 5.167 44 HG3 LYS 6 HG1 LYS 6 12.830 5.163 6.416 45 HD2 LYS 6 HD2 LYS 6 13.867 3.614 4.768 46 HD3 LYS 6 HD1 LYS 6 12.790 4.269 3.533 47 HE2 LYS 6 HE2 LYS 6 14.658 5.983 5.152 48 HE3 LYS 6 HE1 LYS 6 15.128 5.240 3.622 49 HZ1 LYS 6 HZ1 LYS 6 14.060 7.657 3.785 50 HZ2 LYS 6 HZ2 LYS 6 12.642 6.753 3.619 51 HZ3 LYS 6 HZ3 LYS 6 13.850 6.653 2.443 52 H VAL 7 HN VAL 7 9.692 1.079 5.783 53 HA VAL 7 HA VAL 7 11.465 -0.724 4.559 54 HB VAL 7 HB VAL 7 8.718 -1.256 5.713 55 HG11 VAL 7 HG11 VAL 7 10.948 -3.210 5.151 56 HG12 VAL 7 HG12 VAL 7 9.456 -3.064 4.223 57 HG13 VAL 7 HG13 VAL 7 9.397 -3.582 5.908 58 HG21 VAL 7 HG21 VAL 7 10.357 -0.251 7.276 59 HG22 VAL 7 HG22 VAL 7 11.431 -1.617 6.975 60 HG23 VAL 7 HG23 VAL 7 9.862 -1.880 7.735 61 H ILE 8 HN ILE 8 8.291 0.449 3.606 62 HA ILE 8 HA ILE 8 7.948 -1.405 1.459 63 HB ILE 8 HB ILE 8 6.584 1.240 1.968 64 HG12 ILE 8 HG12 ILE 8 6.148 -0.330 3.759 65 HG13 ILE 8 HG11 ILE 8 4.708 -0.191 2.758 66 HG21 ILE 8 HG21 ILE 8 4.881 0.509 0.396 67 HG22 ILE 8 HG22 ILE 8 5.773 -0.984 0.101 68 HG23 ILE 8 HG23 ILE 8 6.458 0.563 -0.392 69 HD11 ILE 8 HD11 ILE 8 6.694 -2.450 2.783 70 HD12 ILE 8 HD12 ILE 8 5.383 -2.292 1.615 71 HD13 ILE 8 HD13 ILE 8 5.016 -2.484 3.329 72 H SER 9 HN SER 9 9.093 1.937 1.704 73 HA SER 9 HA SER 9 9.321 2.516 -1.005 74 HB2 SER 9 HB2 SER 9 11.104 3.483 1.236 75 HB3 SER 9 HB1 SER 9 10.897 4.257 -0.336 76 HG SER 9 HG SER 9 9.604 5.061 1.534 77 H SER 10 HN SER 10 11.731 1.057 1.177 78 HA SER 10 HA SER 10 13.724 0.850 -0.854 79 HB2 SER 10 HB2 SER 10 14.761 -0.758 0.890 80 HB3 SER 10 HB1 SER 10 14.592 0.946 1.315 81 HG SER 10 HG SER 10 13.428 0.312 2.930 82 H ALA 11 HN ALA 11 10.919 -0.904 -0.295 83 HA ALA 11 HA ALA 11 12.018 -3.389 -1.382 84 HB1 ALA 11 HB1 ALA 11 9.239 -2.852 -0.342 85 HB2 ALA 11 HB2 ALA 11 10.568 -3.510 0.615 86 HB3 ALA 11 HB3 ALA 11 9.927 -4.423 -0.751 87 H CYS 12 HN CYS 12 9.340 -1.118 -2.022 88 HA CYS 12 HA CYS 12 8.468 -2.328 -4.395 89 HB2 CYS 12 HB2 CYS 12 7.391 -0.120 -4.877 90 HB3 CYS 12 HB1 CYS 12 7.031 -0.773 -3.281 91 HG CYS 12 HG CYS 12 8.634 0.957 -1.879 92 H LYS 13 HN LYS 13 10.912 0.165 -3.847 93 HA LYS 13 HA LYS 13 11.318 0.790 -6.572 94 HB2 LYS 13 HB2 LYS 13 12.831 1.267 -4.043 95 HB3 LYS 13 HB1 LYS 13 13.623 1.579 -5.586 96 HG2 LYS 13 HG2 LYS 13 11.969 3.176 -6.197 97 HG3 LYS 13 HG1 LYS 13 10.968 2.752 -4.807 98 HD2 LYS 13 HD2 LYS 13 12.674 3.596 -3.300 99 HD3 LYS 13 HD1 LYS 13 13.724 3.970 -4.669 100 HE2 LYS 13 HE2 LYS 13 12.504 5.790 -5.280 101 HE3 LYS 13 HE1 LYS 13 10.988 5.115 -4.683 102 HZ1 LYS 13 HZ1 LYS 13 13.181 6.192 -2.995 103 HZ2 LYS 13 HZ2 LYS 13 11.717 5.570 -2.430 104 HZ3 LYS 13 HZ3 LYS 13 11.737 6.983 -3.347 105 H THR 14 HN THR 14 12.126 -1.976 -4.819 106 HA THR 14 HA THR 14 14.452 -2.633 -6.427 107 HB THR 14 HB THR 14 13.006 -4.432 -4.473 108 HG1 THR 14 HG1 THR 14 14.366 -2.143 -4.011 109 HG21 THR 14 HG21 THR 14 15.888 -4.379 -5.393 110 HG22 THR 14 HG22 THR 14 14.665 -5.530 -5.932 111 HG23 THR 14 HG23 THR 14 15.186 -5.518 -4.247 112 H TYR 15 HN TYR 15 11.085 -2.912 -6.621 113 HA TYR 15 HA TYR 15 11.308 -5.077 -8.608 114 HB2 TYR 15 HB2 TYR 15 8.931 -4.288 -6.912 115 HB3 TYR 15 HB1 TYR 15 8.893 -5.511 -8.178 116 HD1 TYR 15 HD1 TYR 15 9.250 -4.998 -4.738 117 HD2 TYR 15 HD2 TYR 15 10.766 -7.388 -7.913 118 HE1 TYR 15 HE1 TYR 15 9.988 -6.682 -3.110 119 HE2 TYR 15 HE2 TYR 15 11.504 -9.082 -6.294 120 HH TYR 15 HH TYR 15 12.120 -9.191 -3.925 121 H CYS 16 HN CYS 16 9.366 -2.179 -7.855 122 HA CYS 16 HA CYS 16 8.560 -1.903 -10.609 123 HB2 CYS 16 HB2 CYS 16 8.193 0.043 -8.322 124 HB3 CYS 16 HB1 CYS 16 7.325 0.043 -9.853 125 HG CYS 16 HG CYS 16 5.542 -1.772 -9.274 126 H GLY 17 HN GLY 17 11.020 -0.585 -8.513 127 HA2 GLY 17 HA2 GLY 17 12.945 0.560 -9.114 128 HA3 GLY 17 HA1 GLY 17 12.377 0.565 -10.777 129 H LYS 18 HN LYS 18 11.800 2.472 -11.594 130 HA LYS 18 HA LYS 18 11.553 4.733 -9.783 131 HB2 LYS 18 HB2 LYS 18 11.549 6.085 -11.880 132 HB3 LYS 18 HB1 LYS 18 12.983 5.089 -11.669 133 HG2 LYS 18 HG2 LYS 18 11.231 3.486 -13.115 134 HG3 LYS 18 HG1 LYS 18 11.028 5.101 -13.799 135 HD2 LYS 18 HD2 LYS 18 13.696 3.754 -13.380 136 HD3 LYS 18 HD1 LYS 18 12.805 3.737 -14.903 137 HE2 LYS 18 HE2 LYS 18 13.042 6.058 -15.193 138 HE3 LYS 18 HE1 LYS 18 13.516 6.302 -13.513 139 HZ1 LYS 18 HZ1 LYS 18 15.572 5.106 -13.974 140 HZ2 LYS 18 HZ2 LYS 18 15.417 6.464 -14.970 141 HZ3 LYS 18 HZ3 LYS 18 15.120 4.917 -15.592 142 H THR 19 HN THR 19 9.492 2.543 -11.248 143 HA THR 19 HA THR 19 7.275 4.384 -11.596 144 HB THR 19 HB THR 19 6.589 1.557 -11.691 145 HG1 THR 19 HG1 THR 19 8.104 0.842 -13.022 146 HG21 THR 19 HG21 THR 19 5.795 2.177 -13.927 147 HG22 THR 19 HG22 THR 19 6.608 3.734 -13.784 148 HG23 THR 19 HG23 THR 19 5.262 3.343 -12.716 149 H SER 20 HN SER 20 8.653 3.363 -8.957 150 HA SER 20 HA SER 20 6.591 2.085 -7.475 151 HB2 SER 20 HB2 SER 20 8.944 3.633 -6.371 152 HB3 SER 20 HB1 SER 20 8.077 2.301 -5.605 153 HG SER 20 HG SER 20 10.113 2.244 -7.434 154 HA PRO 21 HA PRO 21 4.184 5.565 -6.192 155 HB2 PRO 21 HB2 PRO 21 3.398 4.821 -3.704 156 HB3 PRO 21 HB1 PRO 21 2.779 4.035 -5.167 157 HG2 PRO 21 HG2 PRO 21 4.900 3.117 -3.293 158 HG3 PRO 21 HG1 PRO 21 3.598 2.190 -4.067 159 HD2 PRO 21 HD2 PRO 21 6.155 2.179 -4.982 160 HD3 PRO 21 HD1 PRO 21 4.748 1.966 -6.040 161 H SER 22 HN SER 22 4.233 7.451 -4.927 162 HA SER 22 HA SER 22 6.812 8.061 -3.800 163 HB2 SER 22 HB2 SER 22 4.344 9.791 -3.694 164 HB3 SER 22 HB1 SER 22 6.029 10.299 -3.654 165 HG SER 22 HG SER 22 5.996 9.107 -5.846 166 H LYS 23 HN LYS 23 7.201 8.767 -1.645 167 HA LYS 23 HA LYS 23 6.090 7.157 0.350 168 HB2 LYS 23 HB2 LYS 23 8.317 8.421 0.291 169 HB3 LYS 23 HB1 LYS 23 7.403 9.812 0.846 170 HG2 LYS 23 HG2 LYS 23 7.077 7.335 2.403 171 HG3 LYS 23 HG1 LYS 23 8.654 8.116 2.482 172 HD2 LYS 23 HD2 LYS 23 5.981 9.341 3.159 173 HD3 LYS 23 HD1 LYS 23 7.274 8.931 4.284 174 HE2 LYS 23 HE2 LYS 23 7.125 11.166 2.299 175 HE3 LYS 23 HE1 LYS 23 7.516 11.223 4.013 176 HZ1 LYS 23 HZ1 LYS 23 9.241 10.729 1.745 177 HZ2 LYS 23 HZ2 LYS 23 9.503 9.714 3.075 178 HZ3 LYS 23 HZ3 LYS 23 9.603 11.389 3.262 179 H LYS 24 HN LYS 24 5.295 10.402 -0.719 180 HA LYS 24 HA LYS 24 3.565 11.118 1.381 181 HB2 LYS 24 HB2 LYS 24 4.000 12.058 -1.418 182 HB3 LYS 24 HB1 LYS 24 2.534 12.569 -0.594 183 HG2 LYS 24 HG2 LYS 24 4.119 14.279 -0.262 184 HG3 LYS 24 HG1 LYS 24 4.014 13.410 1.268 185 HD2 LYS 24 HD2 LYS 24 6.065 12.259 0.835 186 HD3 LYS 24 HD1 LYS 24 6.120 12.871 -0.819 187 HE2 LYS 24 HE2 LYS 24 6.365 15.148 0.034 188 HE3 LYS 24 HE1 LYS 24 6.311 14.538 1.687 189 HZ1 LYS 24 HZ1 LYS 24 8.576 14.980 0.412 190 HZ2 LYS 24 HZ2 LYS 24 8.322 13.384 -0.087 191 HZ3 LYS 24 HZ3 LYS 24 8.419 13.750 1.558 192 H GLU 25 HN GLU 25 3.114 9.149 -1.460 193 HA GLU 25 HA GLU 25 0.245 9.160 -1.339 194 HB2 GLU 25 HB2 GLU 25 2.100 7.220 -2.740 195 HB3 GLU 25 HB1 GLU 25 0.371 7.386 -3.017 196 HG2 GLU 25 HG2 GLU 25 0.745 9.688 -3.803 197 HG3 GLU 25 HG1 GLU 25 2.477 9.455 -3.595 198 H ILE 26 HN ILE 26 2.842 6.959 -0.392 199 HA ILE 26 HA ILE 26 1.224 4.883 0.612 200 HB ILE 26 HB ILE 26 3.982 5.646 1.600 201 HG12 ILE 26 HG12 ILE 26 3.298 3.718 -0.627 202 HG13 ILE 26 HG11 ILE 26 3.785 5.384 -0.909 203 HG21 ILE 26 HG21 ILE 26 2.871 4.023 3.020 204 HG22 ILE 26 HG22 ILE 26 4.172 3.245 2.118 205 HG23 ILE 26 HG23 ILE 26 2.495 3.017 1.620 206 HD11 ILE 26 HD11 ILE 26 5.642 3.832 -1.190 207 HD12 ILE 26 HD12 ILE 26 5.435 3.279 0.471 208 HD13 ILE 26 HD13 ILE 26 5.932 4.941 0.150 209 H GLY 27 HN GLY 27 2.787 7.620 2.265 210 HA2 GLY 27 HA2 GLY 27 1.920 7.052 4.865 211 HA3 GLY 27 HA1 GLY 27 2.346 8.645 4.264 212 H ALA 28 HN ALA 28 0.268 8.757 2.263 213 HA ALA 28 HA ALA 28 -1.864 9.659 3.964 214 HB1 ALA 28 HB1 ALA 28 -1.174 10.916 1.959 215 HB2 ALA 28 HB2 ALA 28 -2.888 10.504 1.944 216 HB3 ALA 28 HB3 ALA 28 -1.754 9.590 0.950 217 H MET 29 HN MET 29 -1.396 7.023 1.657 218 HA MET 29 HA MET 29 -4.082 6.113 1.660 219 HB2 MET 29 HB2 MET 29 -2.525 5.513 -0.117 220 HB3 MET 29 HB1 MET 29 -1.524 4.629 1.030 221 HG2 MET 29 HG2 MET 29 -3.434 3.122 1.457 222 HG3 MET 29 HG1 MET 29 -4.330 3.958 0.191 223 HE1 MET 29 HE1 MET 29 -0.447 3.020 0.213 224 HE2 MET 29 HE2 MET 29 -0.551 1.402 -0.479 225 HE3 MET 29 HE3 MET 29 -1.289 1.741 1.086 226 H LEU 30 HN LEU 30 -1.284 5.341 3.651 227 HA LEU 30 HA LEU 30 -2.276 3.066 4.933 228 HB2 LEU 30 HB2 LEU 30 -0.165 5.040 5.429 229 HB3 LEU 30 HB1 LEU 30 -0.788 4.283 6.883 230 HG LEU 30 HG LEU 30 -0.166 2.104 6.121 231 HD11 LEU 30 HD11 LEU 30 0.554 3.428 3.508 232 HD12 LEU 30 HD12 LEU 30 -0.760 2.286 3.783 233 HD13 LEU 30 HD13 LEU 30 0.912 1.755 3.931 234 HD21 LEU 30 HD21 LEU 30 2.258 2.355 5.850 235 HD22 LEU 30 HD22 LEU 30 1.625 3.410 7.112 236 HD23 LEU 30 HD23 LEU 30 2.038 4.075 5.531 237 H SER 31 HN SER 31 -2.688 6.488 5.750 238 HA SER 31 HA SER 31 -4.081 6.054 8.170 239 HB2 SER 31 HB2 SER 31 -4.419 8.460 6.383 240 HB3 SER 31 HB1 SER 31 -4.494 8.387 8.146 241 HG SER 31 HG SER 31 -2.261 7.909 8.148 242 H LEU 32 HN LEU 32 -5.042 6.105 4.827 243 HA LEU 32 HA LEU 32 -7.838 6.382 5.232 244 HB2 LEU 32 HB2 LEU 32 -6.184 6.383 3.058 245 HB3 LEU 32 HB1 LEU 32 -6.955 4.820 2.900 246 HG LEU 32 HG LEU 32 -8.068 6.612 1.599 247 HD11 LEU 32 HD11 LEU 32 -9.302 4.621 2.349 248 HD12 LEU 32 HD12 LEU 32 -10.330 6.048 2.222 249 HD13 LEU 32 HD13 LEU 32 -9.788 5.493 3.804 250 HD21 LEU 32 HD21 LEU 32 -9.285 8.362 2.663 251 HD22 LEU 32 HD22 LEU 32 -7.626 8.421 3.259 252 HD23 LEU 32 HD23 LEU 32 -8.901 7.734 4.265 253 H LEU 33 HN LEU 33 -5.646 3.635 4.983 254 HA LEU 33 HA LEU 33 -7.552 1.574 4.948 255 HB2 LEU 33 HB2 LEU 33 -4.697 1.713 5.884 256 HB3 LEU 33 HB1 LEU 33 -5.624 0.229 5.976 257 HG LEU 33 HG LEU 33 -5.292 1.702 3.378 258 HD11 LEU 33 HD11 LEU 33 -3.407 0.223 2.870 259 HD12 LEU 33 HD12 LEU 33 -3.466 -0.416 4.512 260 HD13 LEU 33 HD13 LEU 33 -3.049 1.275 4.238 261 HD21 LEU 33 HD21 LEU 33 -5.907 -1.159 4.107 262 HD22 LEU 33 HD22 LEU 33 -5.691 -0.554 2.465 263 HD23 LEU 33 HD23 LEU 33 -7.034 0.026 3.445 264 H GLN 34 HN GLN 34 -6.026 3.304 7.592 265 HA GLN 34 HA GLN 34 -7.137 1.655 9.642 266 HB2 GLN 34 HB2 GLN 34 -5.677 4.273 9.597 267 HB3 GLN 34 HB1 GLN 34 -6.411 3.686 11.084 268 HG2 GLN 34 HG2 GLN 34 -5.024 1.785 11.134 269 HG3 GLN 34 HG1 GLN 34 -4.490 2.034 9.473 270 HE21 GLN 34 HE21 GLN 34 -3.053 1.820 12.077 271 HE22 GLN 34 HE22 GLN 34 -2.049 3.228 12.145 272 H LYS 35 HN LYS 35 -7.942 4.884 8.347 273 HA LYS 35 HA LYS 35 -10.041 5.391 10.153 274 HB2 LYS 35 HB2 LYS 35 -10.521 7.285 8.909 275 HB3 LYS 35 HB1 LYS 35 -8.831 7.004 8.521 276 HG2 LYS 35 HG2 LYS 35 -9.328 6.978 6.370 277 HG3 LYS 35 HG1 LYS 35 -10.392 5.592 6.626 278 HD2 LYS 35 HD2 LYS 35 -12.192 7.194 7.284 279 HD3 LYS 35 HD1 LYS 35 -11.118 8.514 6.818 280 HE2 LYS 35 HE2 LYS 35 -11.007 7.539 4.533 281 HE3 LYS 35 HE1 LYS 35 -12.189 6.330 5.035 282 HZ1 LYS 35 HZ1 LYS 35 -13.735 8.152 5.532 283 HZ2 LYS 35 HZ2 LYS 35 -13.295 8.112 3.902 284 HZ3 LYS 35 HZ3 LYS 35 -12.612 9.264 4.932 285 H GLU 36 HN GLU 36 -9.948 3.541 7.190 286 HA GLU 36 HA GLU 36 -12.826 3.360 7.012 287 HB2 GLU 36 HB2 GLU 36 -10.535 2.224 5.456 288 HB3 GLU 36 HB1 GLU 36 -12.146 1.542 5.264 289 HG2 GLU 36 HG2 GLU 36 -11.426 4.433 4.859 290 HG3 GLU 36 HG1 GLU 36 -11.615 3.245 3.573 291 H GLY 37 HN GLY 37 -10.604 1.978 9.017 292 HA2 GLY 37 HA2 GLY 37 -10.785 0.251 10.524 293 HA3 GLY 37 HA1 GLY 37 -12.444 0.038 9.989 294 H LEU 38 HN LEU 38 -9.793 -0.114 7.739 295 HA LEU 38 HA LEU 38 -10.505 -2.849 7.105 296 HB2 LEU 38 HB2 LEU 38 -8.528 -0.924 5.877 297 HB3 LEU 38 HB1 LEU 38 -8.752 -2.572 5.316 298 HG LEU 38 HG LEU 38 -10.916 -0.466 5.349 299 HD11 LEU 38 HD11 LEU 38 -9.176 -1.475 3.105 300 HD12 LEU 38 HD12 LEU 38 -9.232 0.163 3.757 301 HD13 LEU 38 HD13 LEU 38 -10.623 -0.488 2.890 302 HD21 LEU 38 HD21 LEU 38 -11.878 -2.650 5.496 303 HD22 LEU 38 HD22 LEU 38 -10.806 -3.267 4.241 304 HD23 LEU 38 HD23 LEU 38 -12.058 -2.095 3.832 305 H LEU 39 HN LEU 39 -7.790 -1.034 8.408 306 HA LEU 39 HA LEU 39 -6.686 -3.535 9.468 307 HB2 LEU 39 HB2 LEU 39 -5.141 -1.393 8.010 308 HB3 LEU 39 HB1 LEU 39 -4.385 -2.620 9.010 309 HG LEU 39 HG LEU 39 -5.975 -3.105 6.487 310 HD11 LEU 39 HD11 LEU 39 -3.034 -3.285 7.107 311 HD12 LEU 39 HD12 LEU 39 -3.825 -2.172 5.991 312 HD13 LEU 39 HD13 LEU 39 -3.782 -3.899 5.634 313 HD21 LEU 39 HD21 LEU 39 -4.969 -5.449 6.823 314 HD22 LEU 39 HD22 LEU 39 -6.381 -5.000 7.777 315 HD23 LEU 39 HD23 LEU 39 -4.775 -4.969 8.508 316 H MET 40 HN MET 40 -5.652 -3.328 11.454 317 HA MET 40 HA MET 40 -6.425 -0.997 12.970 318 HB2 MET 40 HB2 MET 40 -6.556 -3.344 13.860 319 HB3 MET 40 HB1 MET 40 -4.799 -3.369 13.894 320 HG2 MET 40 HG2 MET 40 -4.896 -1.372 15.406 321 HG3 MET 40 HG1 MET 40 -6.639 -1.616 15.495 322 HE1 MET 40 HE1 MET 40 -3.148 -2.734 16.766 323 HE2 MET 40 HE2 MET 40 -3.468 -3.921 15.503 324 HE3 MET 40 HE3 MET 40 -3.416 -4.423 17.191 325 H SER 41 HN SER 41 -3.376 -2.564 12.030 326 HA SER 41 HA SER 41 -2.036 -0.004 12.582 327 HB2 SER 41 HB2 SER 41 0.002 -1.494 13.150 328 HB3 SER 41 HB1 SER 41 -1.281 -1.365 14.352 329 HG SER 41 HG SER 41 -1.884 -3.390 12.719 330 HA PRO 42 HA PRO 42 -0.450 -0.198 8.452 331 HB2 PRO 42 HB2 PRO 42 2.123 0.704 8.831 332 HB3 PRO 42 HB1 PRO 42 0.704 1.761 8.762 333 HG2 PRO 42 HG2 PRO 42 2.177 0.737 11.132 334 HG3 PRO 42 HG1 PRO 42 1.484 2.345 10.839 335 HD2 PRO 42 HD2 PRO 42 0.265 0.542 12.416 336 HD3 PRO 42 HD1 PRO 42 -0.654 1.672 11.400 337 H SER 43 HN SER 43 1.290 -1.740 11.044 338 HA SER 43 HA SER 43 3.085 -3.250 9.449 339 HB2 SER 43 HB2 SER 43 2.145 -4.101 12.172 340 HB3 SER 43 HB1 SER 43 3.750 -4.256 11.455 341 HG SER 43 HG SER 43 3.653 -2.569 13.009 342 H ASP 44 HN ASP 44 -0.251 -3.478 9.868 343 HA ASP 44 HA ASP 44 -0.576 -6.303 9.822 344 HB2 ASP 44 HB2 ASP 44 -2.363 -3.954 9.362 345 HB3 ASP 44 HB1 ASP 44 -2.903 -5.538 8.816 346 H LEU 45 HN LEU 45 0.466 -4.103 7.521 347 HA LEU 45 HA LEU 45 -0.603 -5.182 5.146 348 HB2 LEU 45 HB2 LEU 45 1.203 -3.114 5.876 349 HB3 LEU 45 HB1 LEU 45 1.995 -4.105 4.668 350 HG LEU 45 HG LEU 45 0.838 -2.223 3.640 351 HD11 LEU 45 HD11 LEU 45 1.013 -4.364 2.426 352 HD12 LEU 45 HD12 LEU 45 -0.397 -3.416 1.959 353 HD13 LEU 45 HD13 LEU 45 -0.585 -4.805 3.029 354 HD21 LEU 45 HD21 LEU 45 -1.531 -1.943 3.745 355 HD22 LEU 45 HD22 LEU 45 -0.913 -2.020 5.394 356 HD23 LEU 45 HD23 LEU 45 -1.712 -3.423 4.686 357 H TYR 46 HN TYR 46 1.737 -6.396 7.300 358 HA TYR 46 HA TYR 46 3.248 -7.889 5.367 359 HB2 TYR 46 HB2 TYR 46 3.105 -8.184 8.376 360 HB3 TYR 46 HB1 TYR 46 4.280 -8.972 7.328 361 HD1 TYR 46 HD1 TYR 46 4.968 -6.737 5.493 362 HD2 TYR 46 HD2 TYR 46 4.408 -6.764 9.712 363 HE1 TYR 46 HE1 TYR 46 6.435 -4.787 5.693 364 HE2 TYR 46 HE2 TYR 46 5.871 -4.803 9.920 365 HH TYR 46 HH TYR 46 6.941 -2.997 7.174 366 H SER 47 HN SER 47 0.170 -8.185 6.490 367 HA SER 47 HA SER 47 0.106 -11.104 6.489 368 HB2 SER 47 HB2 SER 47 -2.209 -9.199 6.890 369 HB3 SER 47 HB1 SER 47 -2.144 -10.908 7.314 370 HG SER 47 HG SER 47 -0.398 -8.980 8.438 371 HA PRO 48 HA PRO 48 -0.764 -10.587 2.079 372 HB2 PRO 48 HB2 PRO 48 -0.602 -13.254 1.481 373 HB3 PRO 48 HB1 PRO 48 0.813 -12.191 1.631 374 HG2 PRO 48 HG2 PRO 48 -0.297 -14.136 3.581 375 HG3 PRO 48 HG1 PRO 48 1.390 -13.750 3.198 376 HD2 PRO 48 HD2 PRO 48 0.119 -12.802 5.401 377 HD3 PRO 48 HD1 PRO 48 1.434 -11.933 4.584 378 H GLY 49 HN GLY 49 -2.406 -12.700 4.341 379 HA2 GLY 49 HA2 GLY 49 -4.529 -13.425 2.578 380 HA3 GLY 49 HA1 GLY 49 -4.526 -13.602 4.325 381 H SER 50 HN SER 50 -3.972 -10.722 4.713 382 HA SER 50 HA SER 50 -6.703 -9.850 4.725 383 HB2 SER 50 HB2 SER 50 -4.241 -8.272 5.493 384 HB3 SER 50 HB1 SER 50 -5.903 -7.961 5.991 385 HG SER 50 HG SER 50 -4.632 -9.069 7.592 386 H TRP 51 HN TRP 51 -4.327 -9.726 2.371 387 HA TRP 51 HA TRP 51 -4.706 -7.093 1.358 388 HB2 TRP 51 HB2 TRP 51 -3.692 -9.599 0.007 389 HB3 TRP 51 HB1 TRP 51 -3.676 -8.004 -0.732 390 HD1 TRP 51 HD1 TRP 51 -2.747 -6.806 2.353 391 HE1 TRP 51 HE1 TRP 51 -0.217 -6.928 2.834 392 HE3 TRP 51 HE3 TRP 51 -1.409 -10.236 -1.193 393 HZ2 TRP 51 HZ2 TRP 51 2.042 -8.289 1.833 394 HZ3 TRP 51 HZ3 TRP 51 0.952 -10.892 -1.370 395 HH2 TRP 51 HH2 TRP 51 2.646 -9.935 0.115 396 H ASP 52 HN ASP 52 -6.382 -10.116 0.922 397 HA ASP 52 HA ASP 52 -7.692 -9.618 -1.482 398 HB2 ASP 52 HB2 ASP 52 -7.686 -11.835 -0.514 399 HB3 ASP 52 HB1 ASP 52 -8.618 -11.279 0.871 400 HA PRO 53 HA PRO 53 -11.556 -7.889 0.924 401 HB2 PRO 53 HB2 PRO 53 -10.959 -6.839 3.420 402 HB3 PRO 53 HB1 PRO 53 -11.710 -8.423 3.137 403 HG2 PRO 53 HG2 PRO 53 -8.872 -7.753 3.711 404 HG3 PRO 53 HG1 PRO 53 -9.853 -9.118 4.278 405 HD2 PRO 53 HD2 PRO 53 -8.052 -9.419 2.322 406 HD3 PRO 53 HD1 PRO 53 -9.592 -10.306 2.319 407 H ILE 54 HN ILE 54 -8.385 -6.489 1.686 408 HA ILE 54 HA ILE 54 -9.196 -3.790 1.626 409 HB ILE 54 HB ILE 54 -6.487 -5.002 1.072 410 HG12 ILE 54 HG12 ILE 54 -7.524 -3.634 3.557 411 HG13 ILE 54 HG11 ILE 54 -7.514 -5.382 3.338 412 HG21 ILE 54 HG21 ILE 54 -5.593 -2.756 1.522 413 HG22 ILE 54 HG22 ILE 54 -7.239 -2.131 1.615 414 HG23 ILE 54 HG23 ILE 54 -6.625 -2.779 0.093 415 HD11 ILE 54 HD11 ILE 54 -5.624 -4.589 4.670 416 HD12 ILE 54 HD12 ILE 54 -5.081 -3.608 3.309 417 HD13 ILE 54 HD13 ILE 54 -5.099 -5.366 3.177 418 H THR 55 HN THR 55 -7.694 -5.841 -0.878 419 HA THR 55 HA THR 55 -7.634 -3.907 -2.904 420 HB THR 55 HB THR 55 -7.973 -6.892 -3.291 421 HG1 THR 55 HG1 THR 55 -6.156 -6.729 -2.083 422 HG21 THR 55 HG21 THR 55 -6.894 -6.561 -5.412 423 HG22 THR 55 HG22 THR 55 -6.608 -4.858 -5.056 424 HG23 THR 55 HG23 THR 55 -8.253 -5.443 -5.307 425 H ALA 56 HN ALA 56 -10.125 -6.262 -2.002 426 HA ALA 56 HA ALA 56 -11.904 -5.735 -4.117 427 HB1 ALA 56 HB1 ALA 56 -12.578 -6.672 -1.332 428 HB2 ALA 56 HB2 ALA 56 -12.043 -7.711 -2.654 429 HB3 ALA 56 HB3 ALA 56 -13.580 -6.851 -2.772 430 H ALA 57 HN ALA 57 -11.717 -4.402 -0.831 431 HA ALA 57 HA ALA 57 -13.963 -2.731 -0.960 432 HB1 ALA 57 HB1 ALA 57 -12.892 -3.265 1.147 433 HB2 ALA 57 HB2 ALA 57 -12.932 -1.516 0.921 434 HB3 ALA 57 HB3 ALA 57 -11.434 -2.405 0.654 435 H LEU 58 HN LEU 58 -10.576 -2.117 -1.795 436 HA LEU 58 HA LEU 58 -10.868 0.631 -2.331 437 HB2 LEU 58 HB2 LEU 58 -8.871 -1.440 -3.165 438 HB3 LEU 58 HB1 LEU 58 -8.778 0.200 -3.785 439 HG LEU 58 HG LEU 58 -8.863 -0.358 -0.835 440 HD11 LEU 58 HD11 LEU 58 -6.530 -0.458 -0.738 441 HD12 LEU 58 HD12 LEU 58 -6.351 0.038 -2.420 442 HD13 LEU 58 HD13 LEU 58 -6.981 -1.564 -2.033 443 HD21 LEU 58 HD21 LEU 58 -9.339 1.914 -1.495 444 HD22 LEU 58 HD22 LEU 58 -7.897 1.957 -2.509 445 HD23 LEU 58 HD23 LEU 58 -7.741 1.839 -0.757 446 H SER 59 HN SER 59 -10.916 -2.175 -4.533 447 HA SER 59 HA SER 59 -11.350 -0.706 -6.885 448 HB2 SER 59 HB2 SER 59 -12.273 -3.524 -6.265 449 HB3 SER 59 HB1 SER 59 -12.029 -2.829 -7.866 450 HG SER 59 HG SER 59 -9.904 -2.980 -7.638 451 H GLN 60 HN GLN 60 -13.515 -1.855 -4.396 452 HA GLN 60 HA GLN 60 -15.942 -1.458 -5.780 453 HB2 GLN 60 HB2 GLN 60 -15.708 -2.839 -3.751 454 HB3 GLN 60 HB1 GLN 60 -15.408 -1.387 -2.807 455 HG2 GLN 60 HG2 GLN 60 -17.639 -0.578 -3.294 456 HG3 GLN 60 HG1 GLN 60 -17.946 -1.984 -4.311 457 HE21 GLN 60 HE21 GLN 60 -16.176 -2.123 -1.300 458 HE22 GLN 60 HE22 GLN 60 -17.362 -3.017 -0.422 459 H ARG 61 HN ARG 61 -14.305 0.584 -3.343 460 HA ARG 61 HA ARG 61 -16.128 2.728 -3.588 461 HB2 ARG 61 HB2 ARG 61 -14.508 4.048 -2.332 462 HB3 ARG 61 HB1 ARG 61 -14.694 2.452 -1.620 463 HG2 ARG 61 HG2 ARG 61 -12.605 1.775 -2.834 464 HG3 ARG 61 HG1 ARG 61 -12.402 3.470 -3.282 465 HD2 ARG 61 HD2 ARG 61 -12.915 3.104 -0.442 466 HD3 ARG 61 HD1 ARG 61 -11.465 2.266 -0.984 467 HE ARG 61 HE ARG 61 -10.635 4.409 -1.794 468 HH11 ARG 61 HH11 ARG 61 -13.006 6.118 0.965 469 HH12 ARG 61 HH12 ARG 61 -13.327 4.498 0.440 470 HH21 ARG 61 HH21 ARG 61 -10.181 6.533 -1.109 471 HH22 ARG 61 HH22 ARG 61 -11.215 7.288 0.080 472 H ALA 62 HN ALA 62 -13.313 1.822 -5.420 473 HA ALA 62 HA ALA 62 -12.866 4.344 -6.647 474 HB1 ALA 62 HB1 ALA 62 -12.105 1.593 -7.626 475 HB2 ALA 62 HB2 ALA 62 -11.143 2.613 -6.558 476 HB3 ALA 62 HB3 ALA 62 -11.455 3.125 -8.216 477 H MET 63 HN MET 63 -14.618 1.433 -7.700 478 HA MET 63 HA MET 63 -15.419 2.612 -10.183 479 HB2 MET 63 HB2 MET 63 -16.663 0.597 -10.571 480 HB3 MET 63 HB1 MET 63 -15.137 0.147 -9.822 481 HG2 MET 63 HG2 MET 63 -16.249 -0.109 -7.675 482 HG3 MET 63 HG1 MET 63 -17.778 0.380 -8.402 483 HE1 MET 63 HE1 MET 63 -14.962 -1.947 -9.916 484 HE2 MET 63 HE2 MET 63 -15.547 -3.534 -9.417 485 HE3 MET 63 HE3 MET 63 -15.005 -2.373 -8.206 486 H ILE 64 HN ILE 64 -16.637 2.815 -6.988 487 HA ILE 64 HA ILE 64 -19.311 3.514 -7.935 488 HB ILE 64 HB ILE 64 -18.232 3.054 -5.157 489 HG12 ILE 64 HG12 ILE 64 -20.402 1.628 -6.712 490 HG13 ILE 64 HG11 ILE 64 -18.731 1.081 -6.626 491 HG21 ILE 64 HG21 ILE 64 -20.488 3.446 -4.314 492 HG22 ILE 64 HG22 ILE 64 -21.033 3.878 -5.934 493 HG23 ILE 64 HG23 ILE 64 -19.856 4.894 -5.099 494 HD11 ILE 64 HD11 ILE 64 -20.206 -0.125 -5.085 495 HD12 ILE 64 HD12 ILE 64 -20.572 1.394 -4.268 496 HD13 ILE 64 HD13 ILE 64 -18.930 0.754 -4.245 497 H LEU 65 HN LEU 65 -16.678 4.981 -6.014 498 HA LEU 65 HA LEU 65 -18.098 7.520 -6.031 499 HB2 LEU 65 HB2 LEU 65 -15.581 6.553 -4.715 500 HB3 LEU 65 HB1 LEU 65 -15.960 8.263 -4.781 501 HG LEU 65 HG LEU 65 -18.226 7.533 -3.709 502 HD11 LEU 65 HD11 LEU 65 -17.824 5.115 -3.941 503 HD12 LEU 65 HD12 LEU 65 -18.053 5.594 -2.258 504 HD13 LEU 65 HD13 LEU 65 -16.434 5.258 -2.867 505 HD21 LEU 65 HD21 LEU 65 -16.589 8.972 -2.652 506 HD22 LEU 65 HD22 LEU 65 -15.628 7.567 -2.189 507 HD23 LEU 65 HD23 LEU 65 -17.230 7.809 -1.490 508 H GLY 66 HN GLY 66 -15.623 5.971 -7.841 509 HA2 GLY 66 HA2 GLY 66 -14.678 6.714 -9.829 510 HA3 GLY 66 HA1 GLY 66 -15.424 8.283 -9.562 511 H LYS 67 HN LYS 67 -13.433 6.650 -7.206 512 HA LYS 67 HA LYS 67 -11.229 8.503 -7.752 513 HB2 LYS 67 HB2 LYS 67 -10.920 8.714 -5.252 514 HB3 LYS 67 HB1 LYS 67 -12.331 9.531 -5.910 515 HG2 LYS 67 HG2 LYS 67 -13.794 8.171 -4.843 516 HG3 LYS 67 HG1 LYS 67 -12.725 6.771 -4.921 517 HD2 LYS 67 HD2 LYS 67 -12.763 7.299 -2.653 518 HD3 LYS 67 HD1 LYS 67 -11.269 8.043 -3.224 519 HE2 LYS 67 HE2 LYS 67 -13.859 9.568 -3.036 520 HE3 LYS 67 HE1 LYS 67 -12.751 9.424 -1.672 521 HZ1 LYS 67 HZ1 LYS 67 -12.245 11.434 -2.766 522 HZ2 LYS 67 HZ2 LYS 67 -12.243 10.715 -4.292 523 HZ3 LYS 67 HZ3 LYS 67 -11.008 10.363 -3.190 524 H SER 68 HN SER 68 -9.483 7.366 -8.170 525 HA SER 68 HA SER 68 -9.149 4.764 -6.829 526 HB2 SER 68 HB2 SER 68 -7.842 5.519 -9.434 527 HB3 SER 68 HB1 SER 68 -8.142 3.909 -8.783 528 HG SER 68 HG SER 68 -10.246 5.678 -9.443 529 H GLY 69 HN GLY 69 -8.318 7.502 -5.979 530 HA2 GLY 69 HA2 GLY 69 -5.612 8.004 -6.314 531 HA3 GLY 69 HA1 GLY 69 -6.535 8.447 -4.887 532 H GLU 70 HN GLU 70 -7.121 6.180 -3.652 533 HA GLU 70 HA GLU 70 -4.595 5.326 -2.618 534 HB2 GLU 70 HB2 GLU 70 -7.396 4.334 -2.055 535 HB3 GLU 70 HB1 GLU 70 -5.969 3.864 -1.144 536 HG2 GLU 70 HG2 GLU 70 -6.846 5.497 0.197 537 HG3 GLU 70 HG1 GLU 70 -5.706 6.428 -0.774 538 H LEU 71 HN LEU 71 -6.898 4.075 -4.880 539 HA LEU 71 HA LEU 71 -6.163 1.365 -4.883 540 HB2 LEU 71 HB2 LEU 71 -8.227 2.175 -5.890 541 HB3 LEU 71 HB1 LEU 71 -7.312 3.070 -7.088 542 HG LEU 71 HG LEU 71 -6.679 0.215 -7.091 543 HD11 LEU 71 HD11 LEU 71 -9.024 0.039 -6.427 544 HD12 LEU 71 HD12 LEU 71 -8.784 -0.505 -8.087 545 HD13 LEU 71 HD13 LEU 71 -9.489 1.080 -7.776 546 HD21 LEU 71 HD21 LEU 71 -6.077 1.959 -8.814 547 HD22 LEU 71 HD22 LEU 71 -7.776 1.964 -9.283 548 HD23 LEU 71 HD23 LEU 71 -6.820 0.490 -9.442 549 H LYS 72 HN LYS 72 -4.921 4.122 -6.713 550 HA LYS 72 HA LYS 72 -3.242 2.632 -8.415 551 HB2 LYS 72 HB2 LYS 72 -3.074 5.499 -7.506 552 HB3 LYS 72 HB1 LYS 72 -2.049 4.802 -8.754 553 HG2 LYS 72 HG2 LYS 72 -4.372 4.118 -9.791 554 HG3 LYS 72 HG1 LYS 72 -4.936 5.489 -8.830 555 HD2 LYS 72 HD2 LYS 72 -2.649 5.598 -10.795 556 HD3 LYS 72 HD1 LYS 72 -4.305 6.075 -11.164 557 HE2 LYS 72 HE2 LYS 72 -4.224 7.855 -9.570 558 HE3 LYS 72 HE1 LYS 72 -2.678 7.287 -8.937 559 HZ1 LYS 72 HZ1 LYS 72 -2.289 9.141 -10.365 560 HZ2 LYS 72 HZ2 LYS 72 -3.187 8.452 -11.620 561 HZ3 LYS 72 HZ3 LYS 72 -1.718 7.760 -11.153 562 H THR 73 HN THR 73 -2.609 4.250 -5.333 563 HA THR 73 HA THR 73 0.129 3.581 -5.230 564 HB THR 73 HB THR 73 -1.700 4.142 -2.892 565 HG1 THR 73 HG1 THR 73 -0.473 5.818 -4.816 566 HG21 THR 73 HG21 THR 73 1.282 4.432 -3.283 567 HG22 THR 73 HG22 THR 73 0.459 3.319 -2.193 568 HG23 THR 73 HG23 THR 73 0.393 5.056 -1.892 569 H TRP 74 HN TRP 74 -2.771 2.046 -3.867 570 HA TRP 74 HA TRP 74 -1.501 -0.004 -2.449 571 HB2 TRP 74 HB2 TRP 74 -3.842 0.438 -2.097 572 HB3 TRP 74 HB1 TRP 74 -4.214 0.066 -3.777 573 HD1 TRP 74 HD1 TRP 74 -4.797 -2.402 -4.339 574 HE1 TRP 74 HE1 TRP 74 -4.864 -4.605 -2.991 575 HE3 TRP 74 HE3 TRP 74 -2.543 -0.796 -0.037 576 HZ2 TRP 74 HZ2 TRP 74 -4.066 -5.522 -0.456 577 HZ3 TRP 74 HZ3 TRP 74 -2.239 -2.398 1.799 578 HH2 TRP 74 HH2 TRP 74 -2.985 -4.713 1.595 579 H GLY 75 HN GLY 75 -2.683 0.073 -5.794 580 HA2 GLY 75 HA2 GLY 75 -2.209 -2.561 -6.509 581 HA3 GLY 75 HA1 GLY 75 -2.132 -1.202 -7.617 582 H LEU 76 HN LEU 76 0.088 0.132 -6.455 583 HA LEU 76 HA LEU 76 2.203 -1.350 -7.669 584 HB2 LEU 76 HB2 LEU 76 2.281 1.157 -5.986 585 HB3 LEU 76 HB1 LEU 76 3.624 0.525 -6.919 586 HG LEU 76 HG LEU 76 1.013 1.363 -8.163 587 HD11 LEU 76 HD11 LEU 76 2.004 3.283 -7.073 588 HD12 LEU 76 HD12 LEU 76 2.171 3.414 -8.824 589 HD13 LEU 76 HD13 LEU 76 3.554 2.938 -7.839 590 HD21 LEU 76 HD21 LEU 76 3.753 0.831 -9.303 591 HD22 LEU 76 HD22 LEU 76 2.364 1.424 -10.214 592 HD23 LEU 76 HD23 LEU 76 2.326 -0.186 -9.496 593 H VAL 77 HN VAL 77 1.468 -0.416 -4.325 594 HA VAL 77 HA VAL 77 3.699 -1.648 -3.134 595 HB VAL 77 HB VAL 77 0.971 -1.107 -1.934 596 HG11 VAL 77 HG11 VAL 77 2.161 -2.732 -0.592 597 HG12 VAL 77 HG12 VAL 77 2.161 -1.176 0.237 598 HG13 VAL 77 HG13 VAL 77 3.608 -1.727 -0.605 599 HG21 VAL 77 HG21 VAL 77 3.513 0.527 -1.893 600 HG22 VAL 77 HG22 VAL 77 2.034 0.909 -1.010 601 HG23 VAL 77 HG23 VAL 77 2.035 0.916 -2.773 602 H LEU 78 HN LEU 78 0.430 -2.803 -3.798 603 HA LEU 78 HA LEU 78 0.597 -5.296 -2.545 604 HB2 LEU 78 HB2 LEU 78 -1.493 -4.296 -3.354 605 HB3 LEU 78 HB1 LEU 78 -0.959 -4.505 -5.008 606 HG LEU 78 HG LEU 78 -0.915 -6.993 -4.574 607 HD11 LEU 78 HD11 LEU 78 -2.378 -6.147 -2.080 608 HD12 LEU 78 HD12 LEU 78 -0.819 -6.969 -2.159 609 HD13 LEU 78 HD13 LEU 78 -2.281 -7.798 -2.692 610 HD21 LEU 78 HD21 LEU 78 -3.559 -5.564 -4.309 611 HD22 LEU 78 HD22 LEU 78 -3.337 -7.238 -4.819 612 HD23 LEU 78 HD23 LEU 78 -2.716 -5.922 -5.817 613 H GLY 79 HN GLY 79 1.292 -4.375 -5.906 614 HA2 GLY 79 HA2 GLY 79 1.988 -6.915 -6.848 615 HA3 GLY 79 HA1 GLY 79 2.555 -5.395 -7.526 616 H ALA 80 HN ALA 80 3.999 -4.399 -5.374 617 HA ALA 80 HA ALA 80 6.462 -5.723 -5.684 618 HB1 ALA 80 HB1 ALA 80 5.621 -3.677 -3.632 619 HB2 ALA 80 HB2 ALA 80 6.346 -3.351 -5.205 620 HB3 ALA 80 HB3 ALA 80 7.284 -4.170 -3.957 621 H LEU 81 HN LEU 81 4.153 -5.663 -2.989 622 HA LEU 81 HA LEU 81 5.721 -7.302 -1.286 623 HB2 LEU 81 HB2 LEU 81 2.800 -6.590 -1.297 624 HB3 LEU 81 HB1 LEU 81 3.508 -7.635 -0.079 625 HG LEU 81 HG LEU 81 4.414 -4.802 -0.604 626 HD11 LEU 81 HD11 LEU 81 2.591 -5.844 1.553 627 HD12 LEU 81 HD12 LEU 81 2.106 -4.840 0.188 628 HD13 LEU 81 HD13 LEU 81 3.203 -4.197 1.412 629 HD21 LEU 81 HD21 LEU 81 6.116 -6.218 0.409 630 HD22 LEU 81 HD22 LEU 81 4.979 -6.717 1.659 631 HD23 LEU 81 HD23 LEU 81 5.514 -5.038 1.572 632 H LYS 82 HN LYS 82 3.191 -7.977 -3.645 633 HA LYS 82 HA LYS 82 2.785 -10.687 -3.030 634 HB2 LYS 82 HB2 LYS 82 2.335 -8.993 -5.449 635 HB3 LYS 82 HB1 LYS 82 2.261 -10.740 -5.638 636 HG2 LYS 82 HG2 LYS 82 0.568 -10.800 -3.824 637 HG3 LYS 82 HG1 LYS 82 0.580 -9.037 -3.816 638 HD2 LYS 82 HD2 LYS 82 -0.282 -8.930 -6.016 639 HD3 LYS 82 HD1 LYS 82 0.022 -10.647 -6.297 640 HE2 LYS 82 HE2 LYS 82 -1.639 -11.178 -4.542 641 HE3 LYS 82 HE1 LYS 82 -1.991 -9.457 -4.392 642 HZ1 LYS 82 HZ1 LYS 82 -2.172 -10.661 -7.051 643 HZ2 LYS 82 HZ2 LYS 82 -3.094 -9.417 -6.367 644 HZ3 LYS 82 HZ3 LYS 82 -3.395 -11.026 -5.943 645 H ALA 83 HN ALA 83 4.992 -9.139 -5.341 646 HA ALA 83 HA ALA 83 6.180 -11.500 -6.301 647 HB1 ALA 83 HB1 ALA 83 7.376 -8.732 -6.109 648 HB2 ALA 83 HB2 ALA 83 6.386 -9.337 -7.437 649 HB3 ALA 83 HB3 ALA 83 7.970 -10.048 -7.121 650 H ALA 84 HN ALA 84 6.999 -9.379 -3.599 651 HA ALA 84 HA ALA 84 9.421 -10.618 -2.878 652 HB1 ALA 84 HB1 ALA 84 9.173 -9.472 -0.751 653 HB2 ALA 84 HB2 ALA 84 7.475 -9.146 -1.098 654 HB3 ALA 84 HB3 ALA 84 8.735 -8.398 -2.079 655 H ARG 85 HN ARG 85 6.069 -11.226 -1.922 656 HA ARG 85 HA ARG 85 6.730 -13.199 0.027 657 HB2 ARG 85 HB2 ARG 85 4.212 -12.256 -1.271 658 HB3 ARG 85 HB1 ARG 85 4.194 -13.786 -0.410 659 HG2 ARG 85 HG2 ARG 85 5.035 -11.148 0.781 660 HG3 ARG 85 HG1 ARG 85 3.449 -11.896 0.977 661 HD2 ARG 85 HD2 ARG 85 4.683 -13.913 1.905 662 HD3 ARG 85 HD1 ARG 85 6.109 -12.880 1.975 663 HE ARG 85 HE ARG 85 4.175 -11.471 3.290 664 HH11 ARG 85 HH11 ARG 85 5.375 -14.711 5.338 665 HH12 ARG 85 HH12 ARG 85 5.604 -14.642 3.623 666 HH21 ARG 85 HH21 ARG 85 3.806 -11.579 5.556 667 HH22 ARG 85 HH22 ARG 85 4.355 -12.965 6.440 668 H GLU 86 HN GLU 86 6.571 -13.250 -3.374 669 HA GLU 86 HA GLU 86 5.943 -16.066 -3.601 670 HB2 GLU 86 HB2 GLU 86 6.669 -13.899 -5.542 671 HB3 GLU 86 HB1 GLU 86 6.717 -15.583 -6.041 672 HG2 GLU 86 HG2 GLU 86 4.342 -15.796 -5.365 673 HG3 GLU 86 HG1 GLU 86 4.331 -14.066 -5.023 674 H GLU 87 HN GLU 87 8.676 -14.248 -2.889 675 HA GLU 87 HA GLU 87 10.510 -16.281 -3.935 676 HB2 GLU 87 HB2 GLU 87 11.092 -13.544 -2.798 677 HB3 GLU 87 HB1 GLU 87 12.283 -14.645 -3.478 678 HG2 GLU 87 HG2 GLU 87 10.106 -14.142 -5.316 679 HG3 GLU 87 HG1 GLU 87 10.898 -12.651 -4.808 680 H1 IHP 101 H37 IHP 0 14.811 10.771 1.253 681 H2 IHP 101 H38 IHP 0 13.294 11.222 3.163 682 H3 IHP 101 H39 IHP 0 12.945 12.358 1.004 683 H4 IHP 101 H40 IHP 0 11.021 10.028 0.459 684 H5 IHP 101 H41 IHP 0 13.599 10.913 -0.916 685 H6 IHP 101 H42 IHP 0 12.930 8.432 0.746 Start of MODEL 2 1 H1 SER 1 HT1 SER 1 4.290 4.362 10.099 2 H2 SER 1 HT2 SER 1 3.650 4.019 11.627 3 H3 SER 1 HT3 SER 1 5.252 3.616 11.275 4 HA SER 1 HA SER 1 4.102 6.322 11.508 5 HB2 SER 1 HB2 SER 1 6.279 5.053 13.163 6 HB3 SER 1 HB1 SER 1 5.384 6.534 13.497 7 HG SER 1 HG SER 1 3.649 5.393 14.081 8 H GLU 2 HN GLU 2 7.375 4.809 11.514 9 HA GLU 2 HA GLU 2 8.089 6.613 9.307 10 HB2 GLU 2 HB2 GLU 2 9.960 6.239 11.635 11 HB3 GLU 2 HB1 GLU 2 10.069 7.405 10.330 12 HG2 GLU 2 HG2 GLU 2 9.209 8.853 11.767 13 HG3 GLU 2 HG1 GLU 2 7.674 8.035 11.491 14 H ALA 3 HN ALA 3 9.563 4.151 11.433 15 HA ALA 3 HA ALA 3 11.416 3.160 9.628 16 HB1 ALA 3 HB1 ALA 3 11.412 2.616 12.009 17 HB2 ALA 3 HB2 ALA 3 11.492 1.163 11.014 18 HB3 ALA 3 HB3 ALA 3 9.972 1.623 11.780 19 H VAL 4 HN VAL 4 8.149 1.872 10.278 20 HA VAL 4 HA VAL 4 8.213 -0.211 8.418 21 HB VAL 4 HB VAL 4 5.774 1.388 9.217 22 HG11 VAL 4 HG11 VAL 4 5.444 -0.114 7.286 23 HG12 VAL 4 HG12 VAL 4 4.513 -0.608 8.700 24 HG13 VAL 4 HG13 VAL 4 5.993 -1.466 8.274 25 HG21 VAL 4 HG21 VAL 4 7.000 0.596 11.176 26 HG22 VAL 4 HG22 VAL 4 6.988 -1.042 10.524 27 HG23 VAL 4 HG23 VAL 4 5.474 -0.267 10.989 28 H ILE 5 HN ILE 5 7.565 3.206 7.991 29 HA ILE 5 HA ILE 5 6.470 3.074 5.397 30 HB ILE 5 HB ILE 5 7.912 5.300 6.835 31 HG12 ILE 5 HG12 ILE 5 5.014 4.743 6.189 32 HG13 ILE 5 HG11 ILE 5 5.761 4.805 7.783 33 HG21 ILE 5 HG21 ILE 5 6.513 5.456 4.167 34 HG22 ILE 5 HG22 ILE 5 8.255 5.545 4.418 35 HG23 ILE 5 HG23 ILE 5 7.208 6.809 5.063 36 HD11 ILE 5 HD11 ILE 5 5.399 7.133 5.911 37 HD12 ILE 5 HD12 ILE 5 6.139 7.197 7.511 38 HD13 ILE 5 HD13 ILE 5 4.431 6.785 7.344 39 H LYS 6 HN LYS 6 9.781 3.821 6.479 40 HA LYS 6 HA LYS 6 10.925 4.019 3.940 41 HB2 LYS 6 HB2 LYS 6 12.211 3.169 6.541 42 HB3 LYS 6 HB1 LYS 6 13.098 3.562 5.077 43 HG2 LYS 6 HG2 LYS 6 11.334 5.450 6.621 44 HG3 LYS 6 HG1 LYS 6 13.096 5.416 6.658 45 HD2 LYS 6 HD2 LYS 6 11.550 5.828 4.112 46 HD3 LYS 6 HD1 LYS 6 11.993 7.164 5.166 47 HE2 LYS 6 HE2 LYS 6 14.369 6.484 4.939 48 HE3 LYS 6 HE1 LYS 6 13.870 5.249 3.786 49 HZ1 LYS 6 HZ1 LYS 6 14.654 7.285 2.694 50 HZ2 LYS 6 HZ2 LYS 6 13.428 8.171 3.443 51 HZ3 LYS 6 HZ3 LYS 6 13.039 6.966 2.325 52 H VAL 7 HN VAL 7 10.537 1.196 6.058 53 HA VAL 7 HA VAL 7 11.987 -0.653 4.552 54 HB VAL 7 HB VAL 7 9.542 -1.103 6.274 55 HG11 VAL 7 HG11 VAL 7 11.466 -3.131 5.139 56 HG12 VAL 7 HG12 VAL 7 9.754 -2.970 4.745 57 HG13 VAL 7 HG13 VAL 7 10.243 -3.465 6.365 58 HG21 VAL 7 HG21 VAL 7 11.443 -0.184 7.476 59 HG22 VAL 7 HG22 VAL 7 12.487 -1.450 6.828 60 HG23 VAL 7 HG23 VAL 7 11.180 -1.867 7.937 61 H ILE 8 HN ILE 8 8.517 0.124 4.384 62 HA ILE 8 HA ILE 8 7.909 -1.638 2.277 63 HB ILE 8 HB ILE 8 6.565 0.886 3.233 64 HG12 ILE 8 HG12 ILE 8 6.433 -0.990 4.769 65 HG13 ILE 8 HG11 ILE 8 4.853 -0.704 4.053 66 HG21 ILE 8 HG21 ILE 8 4.659 0.371 1.819 67 HG22 ILE 8 HG22 ILE 8 5.506 -1.023 1.146 68 HG23 ILE 8 HG23 ILE 8 6.101 0.608 0.831 69 HD11 ILE 8 HD11 ILE 8 6.786 -2.909 3.410 70 HD12 ILE 8 HD12 ILE 8 5.363 -2.547 2.434 71 HD13 ILE 8 HD13 ILE 8 5.176 -3.042 4.116 72 H SER 9 HN SER 9 8.857 1.778 2.307 73 HA SER 9 HA SER 9 8.597 2.243 -0.448 74 HB2 SER 9 HB2 SER 9 10.501 3.557 1.501 75 HB3 SER 9 HB1 SER 9 10.015 4.197 -0.067 76 HG SER 9 HG SER 9 8.859 4.965 1.904 77 H SER 10 HN SER 10 11.487 1.344 1.459 78 HA SER 10 HA SER 10 13.294 1.276 -0.675 79 HB2 SER 10 HB2 SER 10 13.283 -0.372 1.866 80 HB3 SER 10 HB1 SER 10 14.664 -0.172 0.791 81 HG SER 10 HG SER 10 13.852 2.253 1.326 82 H ALA 11 HN ALA 11 11.026 -1.138 0.501 83 HA ALA 11 HA ALA 11 12.038 -3.286 -1.057 84 HB1 ALA 11 HB1 ALA 11 9.301 -2.918 0.153 85 HB2 ALA 11 HB2 ALA 11 10.694 -3.661 0.939 86 HB3 ALA 11 HB3 ALA 11 9.963 -4.429 -0.470 87 H CYS 12 HN CYS 12 9.194 -1.149 -1.503 88 HA CYS 12 HA CYS 12 8.472 -2.301 -3.978 89 HB2 CYS 12 HB2 CYS 12 6.988 -0.366 -4.253 90 HB3 CYS 12 HB1 CYS 12 6.857 -1.063 -2.642 91 HG CYS 12 HG CYS 12 6.981 1.971 -3.171 92 H LYS 13 HN LYS 13 10.549 0.444 -3.158 93 HA LYS 13 HA LYS 13 10.822 1.333 -5.842 94 HB2 LYS 13 HB2 LYS 13 12.565 1.840 -3.430 95 HB3 LYS 13 HB1 LYS 13 12.758 2.652 -4.981 96 HG2 LYS 13 HG2 LYS 13 10.346 3.388 -4.735 97 HG3 LYS 13 HG1 LYS 13 10.449 2.825 -3.070 98 HD2 LYS 13 HD2 LYS 13 12.337 4.372 -2.704 99 HD3 LYS 13 HD1 LYS 13 12.147 4.962 -4.353 100 HE2 LYS 13 HE2 LYS 13 9.770 5.548 -3.751 101 HE3 LYS 13 HE1 LYS 13 10.182 5.184 -2.078 102 HZ1 LYS 13 HZ1 LYS 13 11.868 6.912 -2.147 103 HZ2 LYS 13 HZ2 LYS 13 10.360 7.556 -2.560 104 HZ3 LYS 13 HZ3 LYS 13 11.499 7.243 -3.761 105 H THR 14 HN THR 14 11.905 -1.449 -4.424 106 HA THR 14 HA THR 14 14.283 -1.661 -6.122 107 HB THR 14 HB THR 14 13.222 -3.549 -4.001 108 HG1 THR 14 HG1 THR 14 14.092 -1.624 -3.132 109 HG21 THR 14 HG21 THR 14 15.835 -3.623 -5.521 110 HG22 THR 14 HG22 THR 14 14.488 -4.738 -5.744 111 HG23 THR 14 HG23 THR 14 15.364 -4.712 -4.216 112 H TYR 15 HN TYR 15 11.040 -2.931 -5.680 113 HA TYR 15 HA TYR 15 11.385 -4.898 -7.792 114 HB2 TYR 15 HB2 TYR 15 9.143 -4.241 -5.898 115 HB3 TYR 15 HB1 TYR 15 8.879 -5.287 -7.291 116 HD1 TYR 15 HD1 TYR 15 10.348 -5.028 -3.972 117 HD2 TYR 15 HD2 TYR 15 10.051 -7.455 -7.455 118 HE1 TYR 15 HE1 TYR 15 11.218 -6.947 -2.703 119 HE2 TYR 15 HE2 TYR 15 10.915 -9.383 -6.191 120 HH TYR 15 HH TYR 15 12.345 -9.752 -4.150 121 H CYS 16 HN CYS 16 9.621 -1.875 -7.224 122 HA CYS 16 HA CYS 16 8.520 -1.909 -9.906 123 HB2 CYS 16 HB2 CYS 16 8.416 0.319 -7.863 124 HB3 CYS 16 HB1 CYS 16 7.394 0.135 -9.286 125 HG CYS 16 HG CYS 16 6.369 -2.385 -8.185 126 H GLY 17 HN GLY 17 11.302 -0.782 -8.301 127 HA2 GLY 17 HA2 GLY 17 13.196 0.237 -9.079 128 HA3 GLY 17 HA1 GLY 17 12.547 0.057 -10.698 129 H LYS 18 HN LYS 18 12.148 1.865 -11.753 130 HA LYS 18 HA LYS 18 12.190 4.375 -10.288 131 HB2 LYS 18 HB2 LYS 18 12.028 5.210 -12.817 132 HB3 LYS 18 HB1 LYS 18 13.546 4.729 -12.080 133 HG2 LYS 18 HG2 LYS 18 11.927 2.671 -13.499 134 HG3 LYS 18 HG1 LYS 18 12.837 3.847 -14.449 135 HD2 LYS 18 HD2 LYS 18 14.084 2.188 -12.262 136 HD3 LYS 18 HD1 LYS 18 14.024 1.663 -13.946 137 HE2 LYS 18 HE2 LYS 18 15.406 3.421 -14.657 138 HE3 LYS 18 HE1 LYS 18 15.178 4.322 -13.163 139 HZ1 LYS 18 HZ1 LYS 18 17.365 3.242 -13.313 140 HZ2 LYS 18 HZ2 LYS 18 16.610 1.729 -13.352 141 HZ3 LYS 18 HZ3 LYS 18 16.475 2.706 -11.977 142 H THR 19 HN THR 19 9.857 2.243 -11.373 143 HA THR 19 HA THR 19 7.883 4.291 -11.991 144 HB THR 19 HB THR 19 6.952 1.514 -11.657 145 HG1 THR 19 HG1 THR 19 8.439 0.637 -12.867 146 HG21 THR 19 HG21 THR 19 5.905 2.002 -13.836 147 HG22 THR 19 HG22 THR 19 6.757 3.543 -13.887 148 HG23 THR 19 HG23 THR 19 5.548 3.248 -12.638 149 H SER 20 HN SER 20 9.222 3.467 -9.274 150 HA SER 20 HA SER 20 7.013 2.759 -7.601 151 HB2 SER 20 HB2 SER 20 9.622 3.953 -6.675 152 HB3 SER 20 HB1 SER 20 8.567 2.824 -5.823 153 HG SER 20 HG SER 20 10.544 2.336 -7.660 154 HA PRO 21 HA PRO 21 5.586 6.922 -6.990 155 HB2 PRO 21 HB2 PRO 21 3.677 6.422 -5.194 156 HB3 PRO 21 HB1 PRO 21 3.550 5.784 -6.847 157 HG2 PRO 21 HG2 PRO 21 4.346 4.388 -4.348 158 HG3 PRO 21 HG1 PRO 21 3.340 3.819 -5.693 159 HD2 PRO 21 HD2 PRO 21 6.029 3.225 -5.359 160 HD3 PRO 21 HD1 PRO 21 5.132 3.105 -6.885 161 H SER 22 HN SER 22 5.258 8.497 -5.247 162 HA SER 22 HA SER 22 7.431 8.495 -3.409 163 HB2 SER 22 HB2 SER 22 5.057 10.363 -3.635 164 HB3 SER 22 HB1 SER 22 6.526 10.673 -2.708 165 HG SER 22 HG SER 22 7.699 10.546 -4.683 166 H LYS 23 HN LYS 23 7.365 8.380 -1.133 167 HA LYS 23 HA LYS 23 5.443 6.552 -0.127 168 HB2 LYS 23 HB2 LYS 23 6.847 6.275 1.600 169 HB3 LYS 23 HB1 LYS 23 7.953 7.248 0.646 170 HG2 LYS 23 HG2 LYS 23 6.066 8.597 2.515 171 HG3 LYS 23 HG1 LYS 23 7.512 7.805 3.149 172 HD2 LYS 23 HD2 LYS 23 8.927 9.161 1.780 173 HD3 LYS 23 HD1 LYS 23 7.536 9.843 0.930 174 HE2 LYS 23 HE2 LYS 23 6.787 10.902 2.980 175 HE3 LYS 23 HE1 LYS 23 8.124 10.173 3.869 176 HZ1 LYS 23 HZ1 LYS 23 8.710 11.824 1.518 177 HZ2 LYS 23 HZ2 LYS 23 9.640 11.557 2.906 178 HZ3 LYS 23 HZ3 LYS 23 8.304 12.590 2.973 179 H LYS 24 HN LYS 24 5.502 9.979 -0.320 180 HA LYS 24 HA LYS 24 3.835 10.661 1.826 181 HB2 LYS 24 HB2 LYS 24 3.973 11.956 -0.908 182 HB3 LYS 24 HB1 LYS 24 3.265 12.678 0.531 183 HG2 LYS 24 HG2 LYS 24 5.657 12.260 1.529 184 HG3 LYS 24 HG1 LYS 24 6.124 12.259 -0.173 185 HD2 LYS 24 HD2 LYS 24 4.350 14.448 0.310 186 HD3 LYS 24 HD1 LYS 24 5.640 14.482 1.508 187 HE2 LYS 24 HE2 LYS 24 6.017 14.349 -1.482 188 HE3 LYS 24 HE1 LYS 24 6.211 15.789 -0.484 189 HZ1 LYS 24 HZ1 LYS 24 7.876 13.351 -0.503 190 HZ2 LYS 24 HZ2 LYS 24 7.942 14.464 0.761 191 HZ3 LYS 24 HZ3 LYS 24 8.357 14.939 -0.804 192 H GLU 25 HN GLU 25 3.125 9.583 -1.443 193 HA GLU 25 HA GLU 25 0.303 9.843 -1.264 194 HB2 GLU 25 HB2 GLU 25 1.953 9.557 -3.327 195 HB3 GLU 25 HB1 GLU 25 1.591 7.855 -3.083 196 HG2 GLU 25 HG2 GLU 25 -0.688 8.163 -3.548 197 HG3 GLU 25 HG1 GLU 25 -0.565 9.917 -3.396 198 H ILE 26 HN ILE 26 2.623 7.293 -0.594 199 HA ILE 26 HA ILE 26 0.776 5.187 -0.204 200 HB ILE 26 HB ILE 26 3.520 5.521 1.028 201 HG12 ILE 26 HG12 ILE 26 2.683 4.066 -1.492 202 HG13 ILE 26 HG11 ILE 26 3.535 5.607 -1.440 203 HG21 ILE 26 HG21 ILE 26 2.253 3.856 2.220 204 HG22 ILE 26 HG22 ILE 26 3.463 3.054 1.219 205 HG23 ILE 26 HG23 ILE 26 1.774 3.085 0.708 206 HD11 ILE 26 HD11 ILE 26 4.921 3.547 -1.894 207 HD12 ILE 26 HD12 ILE 26 4.649 3.107 -0.208 208 HD13 ILE 26 HD13 ILE 26 5.493 4.604 -0.604 209 H GLY 27 HN GLY 27 2.221 7.574 1.962 210 HA2 GLY 27 HA2 GLY 27 1.211 6.611 4.394 211 HA3 GLY 27 HA1 GLY 27 1.630 8.287 4.064 212 H ALA 28 HN ALA 28 -0.188 8.926 2.096 213 HA ALA 28 HA ALA 28 -2.486 9.548 3.571 214 HB1 ALA 28 HB1 ALA 28 -1.747 10.836 1.622 215 HB2 ALA 28 HB2 ALA 28 -3.426 10.322 1.455 216 HB3 ALA 28 HB3 ALA 28 -2.153 9.477 0.574 217 H MET 29 HN MET 29 -1.784 6.941 1.316 218 HA MET 29 HA MET 29 -4.417 5.879 1.204 219 HB2 MET 29 HB2 MET 29 -2.827 5.312 -0.520 220 HB3 MET 29 HB1 MET 29 -1.714 4.641 0.660 221 HG2 MET 29 HG2 MET 29 -3.750 3.053 1.182 222 HG3 MET 29 HG1 MET 29 -4.209 3.485 -0.464 223 HE1 MET 29 HE1 MET 29 -0.731 2.909 1.298 224 HE2 MET 29 HE2 MET 29 -0.326 1.292 0.725 225 HE3 MET 29 HE3 MET 29 -1.695 1.525 1.814 226 H LEU 30 HN LEU 30 -1.542 5.098 3.131 227 HA LEU 30 HA LEU 30 -2.571 2.898 4.508 228 HB2 LEU 30 HB2 LEU 30 -0.179 3.702 4.435 229 HB3 LEU 30 HB1 LEU 30 -0.625 4.912 5.623 230 HG LEU 30 HG LEU 30 -1.257 3.087 7.192 231 HD11 LEU 30 HD11 LEU 30 -0.108 1.327 5.030 232 HD12 LEU 30 HD12 LEU 30 -1.765 1.319 5.636 233 HD13 LEU 30 HD13 LEU 30 -0.441 0.804 6.681 234 HD21 LEU 30 HD21 LEU 30 1.086 2.342 7.622 235 HD22 LEU 30 HD22 LEU 30 0.898 4.085 7.431 236 HD23 LEU 30 HD23 LEU 30 1.552 3.119 6.109 237 H SER 31 HN SER 31 -2.632 6.349 5.345 238 HA SER 31 HA SER 31 -3.922 6.093 7.833 239 HB2 SER 31 HB2 SER 31 -2.787 8.165 6.730 240 HB3 SER 31 HB1 SER 31 -4.371 8.452 6.012 241 HG SER 31 HG SER 31 -5.233 8.764 8.005 242 H LEU 32 HN LEU 32 -5.144 6.312 4.542 243 HA LEU 32 HA LEU 32 -7.875 6.614 5.168 244 HB2 LEU 32 HB2 LEU 32 -6.697 6.949 2.929 245 HB3 LEU 32 HB1 LEU 32 -6.764 5.211 2.743 246 HG LEU 32 HG LEU 32 -8.554 6.715 1.609 247 HD11 LEU 32 HD11 LEU 32 -8.609 4.311 1.522 248 HD12 LEU 32 HD12 LEU 32 -10.229 4.940 1.827 249 HD13 LEU 32 HD13 LEU 32 -9.292 4.239 3.147 250 HD21 LEU 32 HD21 LEU 32 -10.514 7.167 2.901 251 HD22 LEU 32 HD22 LEU 32 -9.131 7.930 3.687 252 HD23 LEU 32 HD23 LEU 32 -9.797 6.428 4.332 253 H LEU 33 HN LEU 33 -5.871 3.767 4.564 254 HA LEU 33 HA LEU 33 -7.913 1.838 4.746 255 HB2 LEU 33 HB2 LEU 33 -5.013 1.486 5.486 256 HB3 LEU 33 HB1 LEU 33 -6.134 0.229 5.008 257 HG LEU 33 HG LEU 33 -5.082 2.434 3.233 258 HD11 LEU 33 HD11 LEU 33 -3.391 0.768 3.706 259 HD12 LEU 33 HD12 LEU 33 -3.955 0.605 2.043 260 HD13 LEU 33 HD13 LEU 33 -4.510 -0.525 3.276 261 HD21 LEU 33 HD21 LEU 33 -6.890 0.121 2.549 262 HD22 LEU 33 HD22 LEU 33 -6.231 1.301 1.419 263 HD23 LEU 33 HD23 LEU 33 -7.380 1.809 2.658 264 H GLN 34 HN GLN 34 -5.906 3.391 7.172 265 HA GLN 34 HA GLN 34 -6.644 1.683 9.318 266 HB2 GLN 34 HB2 GLN 34 -5.413 4.429 9.216 267 HB3 GLN 34 HB1 GLN 34 -5.757 3.607 10.731 268 HG2 GLN 34 HG2 GLN 34 -4.315 1.740 9.996 269 HG3 GLN 34 HG1 GLN 34 -3.908 2.666 8.552 270 HE21 GLN 34 HE21 GLN 34 -4.383 4.101 11.705 271 HE22 GLN 34 HE22 GLN 34 -2.735 4.552 11.957 272 H LYS 35 HN LYS 35 -7.840 4.848 8.208 273 HA LYS 35 HA LYS 35 -9.686 5.075 10.385 274 HB2 LYS 35 HB2 LYS 35 -10.581 7.024 9.211 275 HB3 LYS 35 HB1 LYS 35 -8.826 7.079 9.307 276 HG2 LYS 35 HG2 LYS 35 -8.556 6.765 7.058 277 HG3 LYS 35 HG1 LYS 35 -10.097 5.928 6.876 278 HD2 LYS 35 HD2 LYS 35 -9.966 8.836 7.611 279 HD3 LYS 35 HD1 LYS 35 -9.895 8.305 5.929 280 HE2 LYS 35 HE2 LYS 35 -12.031 7.072 6.305 281 HE3 LYS 35 HE1 LYS 35 -12.117 7.808 7.906 282 HZ1 LYS 35 HZ1 LYS 35 -12.004 10.000 6.743 283 HZ2 LYS 35 HZ2 LYS 35 -13.420 9.120 6.468 284 HZ3 LYS 35 HZ3 LYS 35 -12.218 9.177 5.281 285 H GLU 36 HN GLU 36 -9.820 3.586 7.254 286 HA GLU 36 HA GLU 36 -12.681 3.532 7.109 287 HB2 GLU 36 HB2 GLU 36 -10.470 2.199 5.590 288 HB3 GLU 36 HB1 GLU 36 -12.119 1.623 5.403 289 HG2 GLU 36 HG2 GLU 36 -11.155 4.426 4.881 290 HG3 GLU 36 HG1 GLU 36 -11.536 3.213 3.660 291 H GLY 37 HN GLY 37 -10.407 1.850 8.942 292 HA2 GLY 37 HA2 GLY 37 -10.872 0.304 10.623 293 HA3 GLY 37 HA1 GLY 37 -12.464 0.056 9.924 294 H LEU 38 HN LEU 38 -9.887 -0.099 7.703 295 HA LEU 38 HA LEU 38 -10.352 -2.937 7.369 296 HB2 LEU 38 HB2 LEU 38 -8.684 -0.971 5.799 297 HB3 LEU 38 HB1 LEU 38 -8.846 -2.669 5.388 298 HG LEU 38 HG LEU 38 -11.198 -0.787 5.550 299 HD11 LEU 38 HD11 LEU 38 -9.672 -1.622 3.089 300 HD12 LEU 38 HD12 LEU 38 -9.595 -0.028 3.838 301 HD13 LEU 38 HD13 LEU 38 -11.112 -0.603 3.145 302 HD21 LEU 38 HD21 LEU 38 -12.322 -2.518 4.250 303 HD22 LEU 38 HD22 LEU 38 -11.712 -3.169 5.771 304 HD23 LEU 38 HD23 LEU 38 -10.854 -3.498 4.267 305 H LEU 39 HN LEU 39 -7.652 -0.787 8.178 306 HA LEU 39 HA LEU 39 -6.189 -3.157 9.148 307 HB2 LEU 39 HB2 LEU 39 -5.014 -0.618 8.008 308 HB3 LEU 39 HB1 LEU 39 -4.095 -1.955 8.674 309 HG LEU 39 HG LEU 39 -5.772 -1.999 6.167 310 HD11 LEU 39 HD11 LEU 39 -2.806 -2.265 6.617 311 HD12 LEU 39 HD12 LEU 39 -3.634 -0.881 5.903 312 HD13 LEU 39 HD13 LEU 39 -3.630 -2.434 5.067 313 HD21 LEU 39 HD21 LEU 39 -6.046 -4.172 6.643 314 HD22 LEU 39 HD22 LEU 39 -4.784 -4.163 7.874 315 HD23 LEU 39 HD23 LEU 39 -4.354 -4.321 6.171 316 H MET 40 HN MET 40 -5.384 -3.071 11.193 317 HA MET 40 HA MET 40 -6.255 -0.799 12.813 318 HB2 MET 40 HB2 MET 40 -6.731 -3.189 13.489 319 HB3 MET 40 HB1 MET 40 -5.005 -3.380 13.769 320 HG2 MET 40 HG2 MET 40 -5.428 -1.201 15.241 321 HG3 MET 40 HG1 MET 40 -7.036 -1.920 15.333 322 HE1 MET 40 HE1 MET 40 -3.380 -2.024 16.585 323 HE2 MET 40 HE2 MET 40 -3.310 -3.212 15.284 324 HE3 MET 40 HE3 MET 40 -3.134 -3.728 16.962 325 H SER 41 HN SER 41 -3.358 -2.465 11.769 326 HA SER 41 HA SER 41 -1.749 -0.294 12.938 327 HB2 SER 41 HB2 SER 41 0.008 -2.371 12.889 328 HB3 SER 41 HB1 SER 41 -0.938 -1.917 14.303 329 HG SER 41 HG SER 41 -2.169 -3.630 12.471 330 HA PRO 42 HA PRO 42 -0.157 0.346 8.883 331 HB2 PRO 42 HB2 PRO 42 2.467 0.981 9.452 332 HB3 PRO 42 HB1 PRO 42 1.107 2.104 9.646 333 HG2 PRO 42 HG2 PRO 42 2.490 0.451 11.699 334 HG3 PRO 42 HG1 PRO 42 1.916 2.128 11.798 335 HD2 PRO 42 HD2 PRO 42 0.543 0.108 12.905 336 HD3 PRO 42 HD1 PRO 42 -0.273 1.502 12.165 337 H SER 43 HN SER 43 1.408 -1.910 11.022 338 HA SER 43 HA SER 43 2.988 -3.104 8.917 339 HB2 SER 43 HB2 SER 43 3.214 -4.805 11.033 340 HB3 SER 43 HB1 SER 43 4.215 -3.370 10.803 341 HG SER 43 HG SER 43 2.229 -3.869 12.649 342 H ASP 44 HN ASP 44 -0.181 -3.191 9.401 343 HA ASP 44 HA ASP 44 -0.792 -5.963 9.537 344 HB2 ASP 44 HB2 ASP 44 -2.254 -3.468 9.037 345 HB3 ASP 44 HB1 ASP 44 -2.919 -4.869 8.205 346 H LEU 45 HN LEU 45 0.618 -4.134 7.140 347 HA LEU 45 HA LEU 45 -0.477 -5.233 4.786 348 HB2 LEU 45 HB2 LEU 45 1.680 -3.468 5.531 349 HB3 LEU 45 HB1 LEU 45 2.218 -4.585 4.295 350 HG LEU 45 HG LEU 45 1.418 -2.506 3.312 351 HD11 LEU 45 HD11 LEU 45 1.117 -4.705 2.162 352 HD12 LEU 45 HD12 LEU 45 0.028 -3.425 1.635 353 HD13 LEU 45 HD13 LEU 45 -0.556 -4.689 2.717 354 HD21 LEU 45 HD21 LEU 45 -0.903 -1.832 3.454 355 HD22 LEU 45 HD22 LEU 45 -0.194 -1.903 5.067 356 HD23 LEU 45 HD23 LEU 45 -1.261 -3.194 4.514 357 H TYR 46 HN TYR 46 1.554 -6.586 7.162 358 HA TYR 46 HA TYR 46 2.988 -8.415 5.480 359 HB2 TYR 46 HB2 TYR 46 2.587 -8.216 8.461 360 HB3 TYR 46 HB1 TYR 46 3.480 -9.538 7.724 361 HD1 TYR 46 HD1 TYR 46 5.303 -8.620 5.916 362 HD2 TYR 46 HD2 TYR 46 3.860 -6.504 9.311 363 HE1 TYR 46 HE1 TYR 46 7.344 -7.261 5.929 364 HE2 TYR 46 HE2 TYR 46 5.897 -5.139 9.335 365 HH TYR 46 HH TYR 46 8.105 -5.118 8.564 366 H SER 47 HN SER 47 -0.206 -8.280 6.307 367 HA SER 47 HA SER 47 -0.528 -11.186 6.506 368 HB2 SER 47 HB2 SER 47 -2.929 -9.458 6.622 369 HB3 SER 47 HB1 SER 47 -2.462 -10.814 7.647 370 HG SER 47 HG SER 47 -1.697 -8.099 7.821 371 HA PRO 48 HA PRO 48 -1.378 -10.759 2.055 372 HB2 PRO 48 HB2 PRO 48 -1.129 -13.422 1.513 373 HB3 PRO 48 HB1 PRO 48 0.261 -12.328 1.651 374 HG2 PRO 48 HG2 PRO 48 -0.833 -14.241 3.646 375 HG3 PRO 48 HG1 PRO 48 0.854 -13.869 3.240 376 HD2 PRO 48 HD2 PRO 48 -0.376 -12.854 5.426 377 HD3 PRO 48 HD1 PRO 48 0.901 -11.990 4.552 378 H GLY 49 HN GLY 49 -2.881 -12.869 4.423 379 HA2 GLY 49 HA2 GLY 49 -5.020 -13.776 2.790 380 HA3 GLY 49 HA1 GLY 49 -4.990 -13.782 4.548 381 H SER 50 HN SER 50 -4.427 -10.813 4.456 382 HA SER 50 HA SER 50 -7.224 -10.009 4.323 383 HB2 SER 50 HB2 SER 50 -4.919 -8.315 5.273 384 HB3 SER 50 HB1 SER 50 -6.625 -8.191 5.709 385 HG SER 50 HG SER 50 -5.479 -9.192 7.378 386 H TRP 51 HN TRP 51 -4.612 -9.992 2.260 387 HA TRP 51 HA TRP 51 -4.688 -7.413 1.143 388 HB2 TRP 51 HB2 TRP 51 -3.860 -10.068 -0.017 389 HB3 TRP 51 HB1 TRP 51 -3.743 -8.566 -0.924 390 HD1 TRP 51 HD1 TRP 51 -2.833 -7.373 2.302 391 HE1 TRP 51 HE1 TRP 51 -0.288 -7.471 2.723 392 HE3 TRP 51 HE3 TRP 51 -1.518 -10.571 -1.458 393 HZ2 TRP 51 HZ2 TRP 51 1.967 -8.743 1.604 394 HZ3 TRP 51 HZ3 TRP 51 0.850 -11.179 -1.715 395 HH2 TRP 51 HH2 TRP 51 2.557 -10.285 -0.219 396 H ASP 52 HN ASP 52 -6.534 -10.325 0.419 397 HA ASP 52 HA ASP 52 -7.734 -9.432 -1.944 398 HB2 ASP 52 HB2 ASP 52 -8.436 -11.552 0.041 399 HB3 ASP 52 HB1 ASP 52 -9.591 -11.136 -1.223 400 HA PRO 53 HA PRO 53 -11.592 -8.018 0.765 401 HB2 PRO 53 HB2 PRO 53 -10.116 -7.365 3.274 402 HB3 PRO 53 HB1 PRO 53 -11.754 -8.012 3.064 403 HG2 PRO 53 HG2 PRO 53 -9.785 -9.572 3.888 404 HG3 PRO 53 HG1 PRO 53 -11.026 -10.166 2.767 405 HD2 PRO 53 HD2 PRO 53 -8.203 -9.395 2.216 406 HD3 PRO 53 HD1 PRO 53 -9.191 -10.677 1.493 407 H ILE 54 HN ILE 54 -8.371 -6.703 1.477 408 HA ILE 54 HA ILE 54 -9.106 -3.988 1.575 409 HB ILE 54 HB ILE 54 -6.456 -5.190 0.760 410 HG12 ILE 54 HG12 ILE 54 -7.356 -4.112 3.443 411 HG13 ILE 54 HG11 ILE 54 -7.269 -5.822 3.033 412 HG21 ILE 54 HG21 ILE 54 -5.548 -2.968 1.460 413 HG22 ILE 54 HG22 ILE 54 -7.208 -2.375 1.530 414 HG23 ILE 54 HG23 ILE 54 -6.533 -2.929 -0.002 415 HD11 ILE 54 HD11 ILE 54 -5.342 -5.046 4.343 416 HD12 ILE 54 HD12 ILE 54 -4.928 -3.938 3.035 417 HD13 ILE 54 HD13 ILE 54 -4.880 -5.678 2.762 418 H THR 55 HN THR 55 -7.751 -5.911 -1.098 419 HA THR 55 HA THR 55 -7.780 -3.898 -3.040 420 HB THR 55 HB THR 55 -8.273 -6.818 -3.613 421 HG1 THR 55 HG1 THR 55 -6.487 -6.891 -2.346 422 HG21 THR 55 HG21 THR 55 -7.072 -6.371 -5.672 423 HG22 THR 55 HG22 THR 55 -6.767 -4.709 -5.168 424 HG23 THR 55 HG23 THR 55 -8.414 -5.235 -5.513 425 H ALA 56 HN ALA 56 -10.261 -6.247 -2.110 426 HA ALA 56 HA ALA 56 -12.142 -5.595 -4.104 427 HB1 ALA 56 HB1 ALA 56 -12.617 -6.700 -1.338 428 HB2 ALA 56 HB2 ALA 56 -12.278 -7.643 -2.790 429 HB3 ALA 56 HB3 ALA 56 -13.774 -6.717 -2.666 430 H ALA 57 HN ALA 57 -11.778 -4.445 -0.764 431 HA ALA 57 HA ALA 57 -13.996 -2.734 -0.723 432 HB1 ALA 57 HB1 ALA 57 -12.878 -3.380 1.310 433 HB2 ALA 57 HB2 ALA 57 -12.835 -1.623 1.162 434 HB3 ALA 57 HB3 ALA 57 -11.395 -2.574 0.796 435 H LEU 58 HN LEU 58 -10.598 -2.084 -1.533 436 HA LEU 58 HA LEU 58 -10.948 0.674 -1.999 437 HB2 LEU 58 HB2 LEU 58 -8.857 -1.266 -2.962 438 HB3 LEU 58 HB1 LEU 58 -8.790 0.459 -3.281 439 HG LEU 58 HG LEU 58 -8.778 -0.824 -0.548 440 HD11 LEU 58 HD11 LEU 58 -6.472 -0.052 -0.433 441 HD12 LEU 58 HD12 LEU 58 -6.583 0.540 -2.090 442 HD13 LEU 58 HD13 LEU 58 -6.704 -1.188 -1.760 443 HD21 LEU 58 HD21 LEU 58 -8.205 1.481 0.213 444 HD22 LEU 58 HD22 LEU 58 -9.846 1.312 -0.403 445 HD23 LEU 58 HD23 LEU 58 -8.604 2.060 -1.405 446 H SER 59 HN SER 59 -10.917 -2.081 -4.268 447 HA SER 59 HA SER 59 -11.317 -0.524 -6.580 448 HB2 SER 59 HB2 SER 59 -11.716 -3.415 -5.902 449 HB3 SER 59 HB1 SER 59 -12.389 -2.791 -7.409 450 HG SER 59 HG SER 59 -10.067 -3.650 -7.266 451 H GLN 60 HN GLN 60 -13.539 -1.879 -4.224 452 HA GLN 60 HA GLN 60 -15.941 -1.479 -5.601 453 HB2 GLN 60 HB2 GLN 60 -15.705 -2.791 -3.509 454 HB3 GLN 60 HB1 GLN 60 -15.471 -1.292 -2.619 455 HG2 GLN 60 HG2 GLN 60 -17.733 -0.575 -3.415 456 HG3 GLN 60 HG1 GLN 60 -17.947 -2.198 -4.068 457 HE21 GLN 60 HE21 GLN 60 -16.279 -1.444 -1.074 458 HE22 GLN 60 HE22 GLN 60 -17.429 -2.200 -0.028 459 H ARG 61 HN ARG 61 -14.528 0.604 -3.055 460 HA ARG 61 HA ARG 61 -16.331 2.721 -3.464 461 HB2 ARG 61 HB2 ARG 61 -14.663 4.108 -2.220 462 HB3 ARG 61 HB1 ARG 61 -15.135 2.630 -1.401 463 HG2 ARG 61 HG2 ARG 61 -13.046 1.573 -2.241 464 HG3 ARG 61 HG1 ARG 61 -12.571 3.141 -2.889 465 HD2 ARG 61 HD2 ARG 61 -13.308 2.812 -0.004 466 HD3 ARG 61 HD1 ARG 61 -11.683 2.439 -0.572 467 HE ARG 61 HE ARG 61 -11.579 4.787 -1.358 468 HH11 ARG 61 HH11 ARG 61 -13.973 5.530 1.786 469 HH12 ARG 61 HH12 ARG 61 -13.891 3.929 1.133 470 HH21 ARG 61 HH21 ARG 61 -11.605 6.871 -0.449 471 HH22 ARG 61 HH22 ARG 61 -12.672 7.214 0.888 472 H ALA 62 HN ALA 62 -13.271 1.944 -4.981 473 HA ALA 62 HA ALA 62 -12.785 4.416 -6.219 474 HB1 ALA 62 HB1 ALA 62 -12.003 1.683 -7.222 475 HB2 ALA 62 HB2 ALA 62 -11.104 2.636 -6.039 476 HB3 ALA 62 HB3 ALA 62 -11.283 3.223 -7.692 477 H MET 63 HN MET 63 -14.486 1.530 -7.448 478 HA MET 63 HA MET 63 -15.113 2.820 -9.930 479 HB2 MET 63 HB2 MET 63 -16.292 0.837 -10.531 480 HB3 MET 63 HB1 MET 63 -14.843 0.341 -9.673 481 HG2 MET 63 HG2 MET 63 -16.167 -0.034 -7.656 482 HG3 MET 63 HG1 MET 63 -17.619 0.469 -8.519 483 HE1 MET 63 HE1 MET 63 -14.558 -1.813 -9.662 484 HE2 MET 63 HE2 MET 63 -15.238 -3.401 -9.305 485 HE3 MET 63 HE3 MET 63 -14.920 -2.263 -7.996 486 H ILE 64 HN ILE 64 -16.640 2.659 -6.832 487 HA ILE 64 HA ILE 64 -19.247 3.414 -7.814 488 HB ILE 64 HB ILE 64 -18.124 3.239 -5.017 489 HG12 ILE 64 HG12 ILE 64 -20.218 1.587 -6.448 490 HG13 ILE 64 HG11 ILE 64 -18.537 1.109 -6.221 491 HG21 ILE 64 HG21 ILE 64 -20.446 3.563 -4.229 492 HG22 ILE 64 HG22 ILE 64 -20.921 3.973 -5.879 493 HG23 ILE 64 HG23 ILE 64 -19.780 4.997 -5.010 494 HD11 ILE 64 HD11 ILE 64 -20.606 1.524 -4.079 495 HD12 ILE 64 HD12 ILE 64 -18.899 1.198 -3.775 496 HD13 ILE 64 HD13 ILE 64 -19.892 -0.003 -4.600 497 H LEU 65 HN LEU 65 -16.640 5.024 -5.993 498 HA LEU 65 HA LEU 65 -17.969 7.565 -6.024 499 HB2 LEU 65 HB2 LEU 65 -15.378 6.517 -5.043 500 HB3 LEU 65 HB1 LEU 65 -15.447 8.231 -5.395 501 HG LEU 65 HG LEU 65 -17.415 8.397 -3.848 502 HD11 LEU 65 HD11 LEU 65 -16.599 5.604 -3.066 503 HD12 LEU 65 HD12 LEU 65 -18.074 6.030 -3.933 504 HD13 LEU 65 HD13 LEU 65 -17.826 6.600 -2.283 505 HD21 LEU 65 HD21 LEU 65 -15.160 9.024 -3.158 506 HD22 LEU 65 HD22 LEU 65 -14.845 7.360 -2.664 507 HD23 LEU 65 HD23 LEU 65 -16.064 8.314 -1.821 508 H GLY 66 HN GLY 66 -15.516 5.993 -7.968 509 HA2 GLY 66 HA2 GLY 66 -15.196 6.554 -10.255 510 HA3 GLY 66 HA1 GLY 66 -15.784 8.173 -9.910 511 H LYS 67 HN LYS 67 -13.464 6.755 -7.765 512 HA LYS 67 HA LYS 67 -11.250 8.041 -9.130 513 HB2 LYS 67 HB2 LYS 67 -10.545 9.305 -7.140 514 HB3 LYS 67 HB1 LYS 67 -12.102 9.848 -7.743 515 HG2 LYS 67 HG2 LYS 67 -12.892 9.639 -5.686 516 HG3 LYS 67 HG1 LYS 67 -12.687 7.893 -5.835 517 HD2 LYS 67 HD2 LYS 67 -10.679 7.892 -4.694 518 HD3 LYS 67 HD1 LYS 67 -10.340 9.579 -5.080 519 HE2 LYS 67 HE2 LYS 67 -12.630 8.814 -3.300 520 HE3 LYS 67 HE1 LYS 67 -10.996 8.992 -2.665 521 HZ1 LYS 67 HZ1 LYS 67 -12.364 11.020 -2.478 522 HZ2 LYS 67 HZ2 LYS 67 -12.435 11.108 -4.163 523 HZ3 LYS 67 HZ3 LYS 67 -10.950 11.260 -3.374 524 H SER 68 HN SER 68 -9.449 6.906 -8.972 525 HA SER 68 HA SER 68 -9.405 4.631 -7.116 526 HB2 SER 68 HB2 SER 68 -7.419 4.936 -9.327 527 HB3 SER 68 HB1 SER 68 -8.159 3.474 -8.679 528 HG SER 68 HG SER 68 -10.152 4.781 -9.664 529 H GLY 69 HN GLY 69 -8.787 7.326 -6.252 530 HA2 GLY 69 HA2 GLY 69 -6.068 7.920 -6.136 531 HA3 GLY 69 HA1 GLY 69 -7.260 8.420 -4.948 532 H GLU 70 HN GLU 70 -7.981 5.764 -4.094 533 HA GLU 70 HA GLU 70 -5.614 5.206 -2.463 534 HB2 GLU 70 HB2 GLU 70 -8.395 4.076 -2.135 535 HB3 GLU 70 HB1 GLU 70 -7.100 4.095 -0.946 536 HG2 GLU 70 HG2 GLU 70 -8.239 5.852 -0.144 537 HG3 GLU 70 HG1 GLU 70 -7.345 6.727 -1.384 538 H LEU 71 HN LEU 71 -7.023 4.073 -5.248 539 HA LEU 71 HA LEU 71 -6.533 1.255 -4.780 540 HB2 LEU 71 HB2 LEU 71 -8.204 2.682 -6.481 541 HB3 LEU 71 HB1 LEU 71 -6.991 1.995 -7.542 542 HG LEU 71 HG LEU 71 -8.929 0.546 -5.754 543 HD11 LEU 71 HD11 LEU 71 -9.773 1.170 -7.923 544 HD12 LEU 71 HD12 LEU 71 -9.517 -0.575 -7.859 545 HD13 LEU 71 HD13 LEU 71 -8.364 0.453 -8.707 546 HD21 LEU 71 HD21 LEU 71 -6.897 -0.625 -5.388 547 HD22 LEU 71 HD22 LEU 71 -6.459 -0.535 -7.094 548 HD23 LEU 71 HD23 LEU 71 -7.809 -1.548 -6.583 549 H LYS 72 HN LYS 72 -5.226 3.810 -6.891 550 HA LYS 72 HA LYS 72 -3.302 2.321 -8.244 551 HB2 LYS 72 HB2 LYS 72 -3.260 5.212 -7.390 552 HB3 LYS 72 HB1 LYS 72 -2.040 4.501 -8.434 553 HG2 LYS 72 HG2 LYS 72 -4.023 3.823 -9.924 554 HG3 LYS 72 HG1 LYS 72 -4.930 5.017 -8.994 555 HD2 LYS 72 HD2 LYS 72 -2.370 5.552 -10.501 556 HD3 LYS 72 HD1 LYS 72 -3.992 5.956 -11.065 557 HE2 LYS 72 HE2 LYS 72 -4.265 7.632 -9.493 558 HE3 LYS 72 HE1 LYS 72 -3.060 6.941 -8.410 559 HZ1 LYS 72 HZ1 LYS 72 -2.475 8.250 -11.007 560 HZ2 LYS 72 HZ2 LYS 72 -1.329 7.624 -9.935 561 HZ3 LYS 72 HZ3 LYS 72 -2.262 8.958 -9.486 562 H THR 73 HN THR 73 -3.031 4.051 -5.188 563 HA THR 73 HA THR 73 -0.340 3.585 -4.669 564 HB THR 73 HB THR 73 -2.088 3.554 -2.312 565 HG1 THR 73 HG1 THR 73 -2.628 5.876 -2.865 566 HG21 THR 73 HG21 THR 73 0.027 5.469 -3.305 567 HG22 THR 73 HG22 THR 73 0.284 4.123 -2.195 568 HG23 THR 73 HG23 THR 73 -0.712 5.495 -1.706 569 H TRP 74 HN TRP 74 -3.205 1.706 -3.777 570 HA TRP 74 HA TRP 74 -1.842 -0.281 -2.310 571 HB2 TRP 74 HB2 TRP 74 -4.204 0.034 -1.985 572 HB3 TRP 74 HB1 TRP 74 -4.531 -0.281 -3.685 573 HD1 TRP 74 HD1 TRP 74 -5.261 -2.673 -4.233 574 HE1 TRP 74 HE1 TRP 74 -5.157 -4.952 -3.033 575 HE3 TRP 74 HE3 TRP 74 -2.522 -1.307 -0.138 576 HZ2 TRP 74 HZ2 TRP 74 -4.057 -6.018 -0.664 577 HZ3 TRP 74 HZ3 TRP 74 -1.995 -3.014 1.546 578 HH2 TRP 74 HH2 TRP 74 -2.747 -5.322 1.291 579 H GLY 75 HN GLY 75 -3.006 -0.170 -5.667 580 HA2 GLY 75 HA2 GLY 75 -2.370 -2.750 -6.465 581 HA3 GLY 75 HA1 GLY 75 -2.386 -1.353 -7.529 582 H LEU 76 HN LEU 76 -0.258 0.092 -6.369 583 HA LEU 76 HA LEU 76 1.924 -1.195 -7.646 584 HB2 LEU 76 HB2 LEU 76 1.830 1.242 -5.871 585 HB3 LEU 76 HB1 LEU 76 3.257 0.717 -6.749 586 HG LEU 76 HG LEU 76 0.644 1.451 -8.076 587 HD11 LEU 76 HD11 LEU 76 3.139 3.112 -7.787 588 HD12 LEU 76 HD12 LEU 76 1.618 3.383 -6.937 589 HD13 LEU 76 HD13 LEU 76 1.688 3.543 -8.691 590 HD21 LEU 76 HD21 LEU 76 3.414 0.969 -9.172 591 HD22 LEU 76 HD22 LEU 76 2.041 1.563 -10.105 592 HD23 LEU 76 HD23 LEU 76 1.995 -0.055 -9.409 593 H VAL 77 HN VAL 77 1.105 -0.664 -4.229 594 HA VAL 77 HA VAL 77 3.486 -1.857 -3.222 595 HB VAL 77 HB VAL 77 0.816 -1.468 -1.849 596 HG11 VAL 77 HG11 VAL 77 2.156 -3.167 -0.727 597 HG12 VAL 77 HG12 VAL 77 2.067 -1.696 0.244 598 HG13 VAL 77 HG13 VAL 77 3.528 -2.062 -0.671 599 HG21 VAL 77 HG21 VAL 77 3.311 0.225 -1.837 600 HG22 VAL 77 HG22 VAL 77 1.892 0.495 -0.825 601 HG23 VAL 77 HG23 VAL 77 1.765 0.637 -2.577 602 H LEU 78 HN LEU 78 0.210 -3.026 -3.824 603 HA LEU 78 HA LEU 78 0.415 -5.569 -2.715 604 HB2 LEU 78 HB2 LEU 78 -1.692 -4.586 -3.442 605 HB3 LEU 78 HB1 LEU 78 -1.172 -4.660 -5.115 606 HG LEU 78 HG LEU 78 -1.074 -7.174 -4.859 607 HD11 LEU 78 HD11 LEU 78 -0.964 -7.331 -2.458 608 HD12 LEU 78 HD12 LEU 78 -2.434 -8.121 -3.029 609 HD13 LEU 78 HD13 LEU 78 -2.520 -6.517 -2.298 610 HD21 LEU 78 HD21 LEU 78 -2.904 -6.005 -5.998 611 HD22 LEU 78 HD22 LEU 78 -3.753 -5.850 -4.460 612 HD23 LEU 78 HD23 LEU 78 -3.473 -7.446 -5.154 613 H GLY 79 HN GLY 79 1.044 -4.529 -6.060 614 HA2 GLY 79 HA2 GLY 79 1.766 -7.050 -7.059 615 HA3 GLY 79 HA1 GLY 79 2.258 -5.509 -7.742 616 H ALA 80 HN ALA 80 3.686 -4.597 -5.416 617 HA ALA 80 HA ALA 80 6.206 -5.813 -5.949 618 HB1 ALA 80 HB1 ALA 80 5.437 -3.827 -3.809 619 HB2 ALA 80 HB2 ALA 80 6.032 -3.440 -5.424 620 HB3 ALA 80 HB3 ALA 80 7.085 -4.256 -4.271 621 H LEU 81 HN LEU 81 4.093 -5.747 -3.082 622 HA LEU 81 HA LEU 81 5.756 -7.445 -1.544 623 HB2 LEU 81 HB2 LEU 81 2.879 -6.627 -1.289 624 HB3 LEU 81 HB1 LEU 81 3.602 -7.785 -0.188 625 HG LEU 81 HG LEU 81 4.204 -4.860 -0.501 626 HD11 LEU 81 HD11 LEU 81 3.718 -6.558 1.936 627 HD12 LEU 81 HD12 LEU 81 2.469 -5.656 1.079 628 HD13 LEU 81 HD13 LEU 81 3.798 -4.797 1.857 629 HD21 LEU 81 HD21 LEU 81 5.973 -6.960 0.740 630 HD22 LEU 81 HD22 LEU 81 6.107 -5.236 1.087 631 HD23 LEU 81 HD23 LEU 81 6.382 -5.830 -0.550 632 H LYS 82 HN LYS 82 3.147 -8.061 -3.808 633 HA LYS 82 HA LYS 82 2.712 -10.760 -3.153 634 HB2 LYS 82 HB2 LYS 82 2.202 -9.062 -5.538 635 HB3 LYS 82 HB1 LYS 82 2.192 -10.801 -5.784 636 HG2 LYS 82 HG2 LYS 82 0.553 -10.925 -3.860 637 HG3 LYS 82 HG1 LYS 82 0.419 -9.171 -3.998 638 HD2 LYS 82 HD2 LYS 82 -0.335 -9.384 -6.296 639 HD3 LYS 82 HD1 LYS 82 -0.111 -11.134 -6.233 640 HE2 LYS 82 HE2 LYS 82 -1.784 -11.220 -4.397 641 HE3 LYS 82 HE1 LYS 82 -2.069 -9.498 -4.628 642 HZ1 LYS 82 HZ1 LYS 82 -2.435 -11.525 -6.762 643 HZ2 LYS 82 HZ2 LYS 82 -2.894 -9.899 -6.810 644 HZ3 LYS 82 HZ3 LYS 82 -3.686 -10.971 -5.768 645 H ALA 83 HN ALA 83 4.951 -9.222 -5.421 646 HA ALA 83 HA ALA 83 6.114 -11.618 -6.375 647 HB1 ALA 83 HB1 ALA 83 7.266 -8.831 -6.284 648 HB2 ALA 83 HB2 ALA 83 6.283 -9.501 -7.585 649 HB3 ALA 83 HB3 ALA 83 7.881 -10.168 -7.253 650 H ALA 84 HN ALA 84 6.878 -9.441 -3.723 651 HA ALA 84 HA ALA 84 9.343 -10.618 -2.992 652 HB1 ALA 84 HB1 ALA 84 7.432 -9.139 -1.195 653 HB2 ALA 84 HB2 ALA 84 8.569 -8.360 -2.298 654 HB3 ALA 84 HB3 ALA 84 9.168 -9.352 -0.968 655 H ARG 85 HN ARG 85 6.037 -11.466 -2.353 656 HA ARG 85 HA ARG 85 6.797 -13.353 -0.273 657 HB2 ARG 85 HB2 ARG 85 4.279 -12.121 -1.192 658 HB3 ARG 85 HB1 ARG 85 4.146 -13.787 -0.644 659 HG2 ARG 85 HG2 ARG 85 5.491 -12.937 1.413 660 HG3 ARG 85 HG1 ARG 85 4.931 -11.348 0.886 661 HD2 ARG 85 HD2 ARG 85 2.680 -11.920 1.194 662 HD3 ARG 85 HD1 ARG 85 3.036 -13.644 1.242 663 HE ARG 85 HE ARG 85 3.584 -11.711 3.390 664 HH11 ARG 85 HH11 ARG 85 3.301 -15.695 3.872 665 HH12 ARG 85 HH12 ARG 85 3.238 -15.019 2.279 666 HH21 ARG 85 HH21 ARG 85 3.682 -12.611 5.493 667 HH22 ARG 85 HH22 ARG 85 3.543 -14.329 5.700 668 H GLU 86 HN GLU 86 7.220 -13.496 -3.380 669 HA GLU 86 HA GLU 86 6.159 -16.225 -3.694 670 HB2 GLU 86 HB2 GLU 86 6.899 -14.125 -5.727 671 HB3 GLU 86 HB1 GLU 86 6.647 -15.810 -6.162 672 HG2 GLU 86 HG2 GLU 86 4.361 -15.628 -5.151 673 HG3 GLU 86 HG1 GLU 86 4.647 -13.896 -5.002 674 H GLU 87 HN GLU 87 8.888 -14.675 -2.806 675 HA GLU 87 HA GLU 87 10.529 -16.965 -3.411 676 HB2 GLU 87 HB2 GLU 87 10.607 -15.219 -5.365 677 HB3 GLU 87 HB1 GLU 87 11.655 -14.329 -4.269 678 HG2 GLU 87 HG2 GLU 87 13.182 -16.211 -4.162 679 HG3 GLU 87 HG1 GLU 87 12.118 -17.153 -5.205 680 H1 IHP 101 H37 IHP 0 14.589 11.276 0.706 681 H2 IHP 101 H38 IHP 0 13.067 11.739 2.592 682 H3 IHP 101 H39 IHP 0 12.612 12.772 0.399 683 H4 IHP 101 H40 IHP 0 10.822 10.318 -0.039 684 H5 IHP 101 H41 IHP 0 13.339 11.280 -1.473 685 H6 IHP 101 H42 IHP 0 12.819 8.839 0.290 Start of MODEL 3 1 H1 SER 1 HT1 SER 1 2.961 4.324 9.247 2 H2 SER 1 HT2 SER 1 2.338 3.922 10.766 3 H3 SER 1 HT3 SER 1 4.000 3.811 10.477 4 HA SER 1 HA SER 1 2.398 6.292 10.463 5 HB2 SER 1 HB2 SER 1 4.535 5.549 12.450 6 HB3 SER 1 HB1 SER 1 3.280 6.783 12.583 7 HG SER 1 HG SER 1 2.343 5.234 13.690 8 H GLU 2 HN GLU 2 5.778 5.081 10.712 9 HA GLU 2 HA GLU 2 6.532 6.969 8.622 10 HB2 GLU 2 HB2 GLU 2 8.614 7.316 10.392 11 HB3 GLU 2 HB1 GLU 2 7.309 8.458 10.114 12 HG2 GLU 2 HG2 GLU 2 7.482 8.214 12.446 13 HG3 GLU 2 HG1 GLU 2 6.053 7.301 11.970 14 H ALA 3 HN ALA 3 8.043 4.759 10.992 15 HA ALA 3 HA ALA 3 10.241 4.037 9.444 16 HB1 ALA 3 HB1 ALA 3 8.850 2.360 11.522 17 HB2 ALA 3 HB2 ALA 3 10.041 3.618 11.850 18 HB3 ALA 3 HB3 ALA 3 10.510 2.169 10.960 19 H VAL 4 HN VAL 4 7.189 2.221 9.846 20 HA VAL 4 HA VAL 4 7.837 0.133 8.113 21 HB VAL 4 HB VAL 4 5.056 1.218 8.588 22 HG11 VAL 4 HG11 VAL 4 5.279 -0.398 6.719 23 HG12 VAL 4 HG12 VAL 4 4.298 -1.009 8.051 24 HG13 VAL 4 HG13 VAL 4 5.958 -1.569 7.854 25 HG21 VAL 4 HG21 VAL 4 4.909 -0.349 10.432 26 HG22 VAL 4 HG22 VAL 4 6.257 0.758 10.694 27 HG23 VAL 4 HG23 VAL 4 6.562 -0.887 10.137 28 H ILE 5 HN ILE 5 6.531 3.323 7.435 29 HA ILE 5 HA ILE 5 5.783 2.836 4.748 30 HB ILE 5 HB ILE 5 6.619 5.458 6.008 31 HG12 ILE 5 HG12 ILE 5 3.879 4.218 5.651 32 HG13 ILE 5 HG11 ILE 5 4.733 4.405 7.181 33 HG21 ILE 5 HG21 ILE 5 4.938 4.982 3.548 34 HG22 ILE 5 HG22 ILE 5 6.655 5.384 3.509 35 HG23 ILE 5 HG23 ILE 5 5.494 6.533 4.176 36 HD11 ILE 5 HD11 ILE 5 3.859 6.675 5.412 37 HD12 ILE 5 HD12 ILE 5 4.568 6.797 7.023 38 HD13 ILE 5 HD13 ILE 5 2.969 6.083 6.815 39 H LYS 6 HN LYS 6 8.755 4.048 6.253 40 HA LYS 6 HA LYS 6 10.180 4.578 3.894 41 HB2 LYS 6 HB2 LYS 6 11.154 3.778 6.644 42 HB3 LYS 6 HB1 LYS 6 12.217 4.300 5.348 43 HG2 LYS 6 HG2 LYS 6 9.993 5.980 6.479 44 HG3 LYS 6 HG1 LYS 6 11.674 6.068 7.005 45 HD2 LYS 6 HD2 LYS 6 10.870 6.424 4.130 46 HD3 LYS 6 HD1 LYS 6 10.904 7.767 5.269 47 HE2 LYS 6 HE2 LYS 6 13.285 7.275 5.718 48 HE3 LYS 6 HE1 LYS 6 13.226 6.002 4.503 49 HZ1 LYS 6 HZ1 LYS 6 12.456 7.852 2.942 50 HZ2 LYS 6 HZ2 LYS 6 14.086 7.830 3.380 51 HZ3 LYS 6 HZ3 LYS 6 13.032 8.924 4.116 52 H VAL 7 HN VAL 7 9.730 1.645 5.769 53 HA VAL 7 HA VAL 7 11.623 0.074 4.361 54 HB VAL 7 HB VAL 7 9.172 -0.802 5.909 55 HG11 VAL 7 HG11 VAL 7 10.133 -2.459 4.259 56 HG12 VAL 7 HG12 VAL 7 10.056 -2.989 5.938 57 HG13 VAL 7 HG13 VAL 7 11.592 -2.465 5.250 58 HG21 VAL 7 HG21 VAL 7 10.668 0.414 7.341 59 HG22 VAL 7 HG22 VAL 7 12.058 -0.479 6.726 60 HG23 VAL 7 HG23 VAL 7 10.838 -1.305 7.695 61 H ILE 8 HN ILE 8 8.142 0.615 3.997 62 HA ILE 8 HA ILE 8 7.711 -1.240 1.929 63 HB ILE 8 HB ILE 8 6.207 1.296 2.575 64 HG12 ILE 8 HG12 ILE 8 6.080 -0.271 4.396 65 HG13 ILE 8 HG11 ILE 8 4.548 -0.312 3.536 66 HG21 ILE 8 HG21 ILE 8 4.376 0.389 1.239 67 HG22 ILE 8 HG22 ILE 8 5.387 -0.979 0.777 68 HG23 ILE 8 HG23 ILE 8 5.814 0.650 0.253 69 HD11 ILE 8 HD11 ILE 8 6.758 -2.341 3.407 70 HD12 ILE 8 HD12 ILE 8 5.340 -2.354 2.358 71 HD13 ILE 8 HD13 ILE 8 5.150 -2.539 4.102 72 H SER 9 HN SER 9 8.441 2.258 1.803 73 HA SER 9 HA SER 9 8.327 2.439 -1.018 74 HB2 SER 9 HB2 SER 9 9.716 4.546 -0.645 75 HB3 SER 9 HB1 SER 9 8.155 4.483 0.171 76 HG SER 9 HG SER 9 10.229 5.110 1.365 77 H SER 10 HN SER 10 10.990 1.820 1.232 78 HA SER 10 HA SER 10 13.027 1.784 -0.738 79 HB2 SER 10 HB2 SER 10 13.317 1.978 1.792 80 HB3 SER 10 HB1 SER 10 13.092 0.231 1.851 81 HG SER 10 HG SER 10 15.184 1.724 0.704 82 H ALA 11 HN ALA 11 10.858 -0.671 0.531 83 HA ALA 11 HA ALA 11 12.116 -2.925 -0.586 84 HB1 ALA 11 HB1 ALA 11 9.186 -2.558 0.018 85 HB2 ALA 11 HB2 ALA 11 10.414 -3.046 1.185 86 HB3 ALA 11 HB3 ALA 11 10.031 -4.092 -0.183 87 H CYS 12 HN CYS 12 9.370 -0.975 -1.815 88 HA CYS 12 HA CYS 12 9.079 -2.466 -4.188 89 HB2 CYS 12 HB2 CYS 12 7.861 -0.394 -5.031 90 HB3 CYS 12 HB1 CYS 12 7.229 -1.153 -3.576 91 HG CYS 12 HG CYS 12 9.426 1.318 -3.001 92 H LYS 13 HN LYS 13 11.431 -0.151 -3.297 93 HA LYS 13 HA LYS 13 12.089 0.886 -5.837 94 HB2 LYS 13 HB2 LYS 13 13.582 0.614 -3.248 95 HB3 LYS 13 HB1 LYS 13 14.410 1.176 -4.695 96 HG2 LYS 13 HG2 LYS 13 12.954 3.062 -4.881 97 HG3 LYS 13 HG1 LYS 13 11.929 2.455 -3.577 98 HD2 LYS 13 HD2 LYS 13 13.232 3.381 -2.026 99 HD3 LYS 13 HD1 LYS 13 14.678 2.644 -2.717 100 HE2 LYS 13 HE2 LYS 13 15.321 4.605 -3.530 101 HE3 LYS 13 HE1 LYS 13 13.804 4.776 -4.408 102 HZ1 LYS 13 HZ1 LYS 13 12.808 5.665 -2.366 103 HZ2 LYS 13 HZ2 LYS 13 14.082 6.615 -2.921 104 HZ3 LYS 13 HZ3 LYS 13 14.314 5.586 -1.602 105 H THR 14 HN THR 14 12.882 -2.107 -4.235 106 HA THR 14 HA THR 14 14.871 -2.780 -6.250 107 HB THR 14 HB THR 14 13.988 -4.776 -4.221 108 HG1 THR 14 HG1 THR 14 15.750 -2.681 -3.466 109 HG21 THR 14 HG21 THR 14 16.649 -3.870 -5.329 110 HG22 THR 14 HG22 THR 14 15.791 -5.366 -5.702 111 HG23 THR 14 HG23 THR 14 16.460 -5.110 -4.091 112 H TYR 15 HN TYR 15 11.613 -2.778 -6.220 113 HA TYR 15 HA TYR 15 11.444 -5.252 -7.815 114 HB2 TYR 15 HB2 TYR 15 9.301 -3.938 -6.136 115 HB3 TYR 15 HB1 TYR 15 9.015 -5.291 -7.226 116 HD1 TYR 15 HD1 TYR 15 9.515 -4.466 -3.909 117 HD2 TYR 15 HD2 TYR 15 10.791 -7.314 -6.801 118 HE1 TYR 15 HE1 TYR 15 10.110 -6.024 -2.105 119 HE2 TYR 15 HE2 TYR 15 11.387 -8.881 -5.002 120 HH TYR 15 HH TYR 15 11.896 -8.929 -2.690 121 H CYS 16 HN CYS 16 9.805 -2.116 -7.410 122 HA CYS 16 HA CYS 16 9.202 -2.111 -10.272 123 HB2 CYS 16 HB2 CYS 16 8.244 -0.088 -8.261 124 HB3 CYS 16 HB1 CYS 16 7.510 -0.536 -9.799 125 HG CYS 16 HG CYS 16 5.983 -2.405 -8.908 126 H GLY 17 HN GLY 17 11.300 -0.697 -7.965 127 HA2 GLY 17 HA2 GLY 17 13.077 0.735 -8.227 128 HA3 GLY 17 HA1 GLY 17 12.813 0.645 -9.960 129 H LYS 18 HN LYS 18 12.162 2.417 -10.950 130 HA LYS 18 HA LYS 18 11.444 4.728 -9.333 131 HB2 LYS 18 HB2 LYS 18 11.771 6.031 -11.357 132 HB3 LYS 18 HB1 LYS 18 13.145 4.965 -11.105 133 HG2 LYS 18 HG2 LYS 18 11.677 3.398 -12.696 134 HG3 LYS 18 HG1 LYS 18 11.115 4.976 -13.246 135 HD2 LYS 18 HD2 LYS 18 13.994 4.090 -13.095 136 HD3 LYS 18 HD1 LYS 18 13.021 4.169 -14.567 137 HE2 LYS 18 HE2 LYS 18 12.827 6.558 -14.371 138 HE3 LYS 18 HE1 LYS 18 13.614 6.536 -12.790 139 HZ1 LYS 18 HZ1 LYS 18 15.597 5.592 -13.974 140 HZ2 LYS 18 HZ2 LYS 18 15.229 7.198 -14.350 141 HZ3 LYS 18 HZ3 LYS 18 14.826 5.967 -15.431 142 H THR 19 HN THR 19 9.811 2.243 -10.752 143 HA THR 19 HA THR 19 7.545 3.793 -11.684 144 HB THR 19 HB THR 19 7.290 0.858 -11.281 145 HG1 THR 19 HG1 THR 19 9.255 0.659 -12.166 146 HG21 THR 19 HG21 THR 19 6.254 1.013 -13.507 147 HG22 THR 19 HG22 THR 19 6.656 2.730 -13.565 148 HG23 THR 19 HG23 THR 19 5.518 2.130 -12.358 149 H SER 20 HN SER 20 8.702 2.732 -8.744 150 HA SER 20 HA SER 20 6.336 1.937 -7.410 151 HB2 SER 20 HB2 SER 20 8.604 3.257 -5.964 152 HB3 SER 20 HB1 SER 20 7.679 1.820 -5.524 153 HG SER 20 HG SER 20 9.972 2.037 -6.982 154 HA PRO 21 HA PRO 21 4.425 5.846 -6.683 155 HB2 PRO 21 HB2 PRO 21 3.118 5.386 -4.355 156 HB3 PRO 21 HB1 PRO 21 2.616 4.640 -5.885 157 HG2 PRO 21 HG2 PRO 21 4.181 3.468 -3.643 158 HG3 PRO 21 HG1 PRO 21 2.906 2.736 -4.637 159 HD2 PRO 21 HD2 PRO 21 5.565 2.281 -5.037 160 HD3 PRO 21 HD1 PRO 21 4.347 2.193 -6.323 161 H SER 22 HN SER 22 4.472 7.729 -5.372 162 HA SER 22 HA SER 22 6.923 8.203 -4.073 163 HB2 SER 22 HB2 SER 22 4.461 9.886 -3.660 164 HB3 SER 22 HB1 SER 22 6.147 10.401 -3.755 165 HG SER 22 HG SER 22 6.088 9.717 -5.987 166 H LYS 23 HN LYS 23 7.419 8.489 -1.882 167 HA LYS 23 HA LYS 23 6.227 6.706 -0.086 168 HB2 LYS 23 HB2 LYS 23 8.501 7.421 0.196 169 HB3 LYS 23 HB1 LYS 23 8.010 9.097 0.360 170 HG2 LYS 23 HG2 LYS 23 6.637 8.059 2.401 171 HG3 LYS 23 HG1 LYS 23 7.976 6.910 2.336 172 HD2 LYS 23 HD2 LYS 23 8.632 8.641 3.818 173 HD3 LYS 23 HD1 LYS 23 9.530 8.885 2.319 174 HE2 LYS 23 HE2 LYS 23 7.313 10.364 1.834 175 HE3 LYS 23 HE1 LYS 23 7.458 10.552 3.578 176 HZ1 LYS 23 HZ1 LYS 23 9.207 11.508 1.453 177 HZ2 LYS 23 HZ2 LYS 23 9.955 10.998 2.875 178 HZ3 LYS 23 HZ3 LYS 23 8.802 12.228 2.926 179 H LYS 24 HN LYS 24 5.752 10.167 -0.572 180 HA LYS 24 HA LYS 24 4.136 10.698 1.652 181 HB2 LYS 24 HB2 LYS 24 3.596 12.064 -0.952 182 HB3 LYS 24 HB1 LYS 24 3.631 12.738 0.670 183 HG2 LYS 24 HG2 LYS 24 6.142 12.292 0.615 184 HG3 LYS 24 HG1 LYS 24 5.937 12.065 -1.123 185 HD2 LYS 24 HD2 LYS 24 4.664 14.364 -0.936 186 HD3 LYS 24 HD1 LYS 24 5.639 14.535 0.521 187 HE2 LYS 24 HE2 LYS 24 6.665 14.045 -2.271 188 HE3 LYS 24 HE1 LYS 24 6.752 15.562 -1.380 189 HZ1 LYS 24 HZ1 LYS 24 8.492 13.320 -1.288 190 HZ2 LYS 24 HZ2 LYS 24 7.914 13.681 0.253 191 HZ3 LYS 24 HZ3 LYS 24 8.715 14.869 -0.645 192 H GLU 25 HN GLU 25 3.392 9.321 -1.469 193 HA GLU 25 HA GLU 25 0.563 9.471 -1.263 194 HB2 GLU 25 HB2 GLU 25 2.212 9.006 -3.297 195 HB3 GLU 25 HB1 GLU 25 1.890 7.335 -2.860 196 HG2 GLU 25 HG2 GLU 25 -0.491 7.694 -3.175 197 HG3 GLU 25 HG1 GLU 25 -0.195 9.391 -3.553 198 H ILE 26 HN ILE 26 2.968 6.991 -0.530 199 HA ILE 26 HA ILE 26 1.191 4.918 0.160 200 HB ILE 26 HB ILE 26 3.970 5.402 1.259 201 HG12 ILE 26 HG12 ILE 26 3.138 3.736 -1.130 202 HG13 ILE 26 HG11 ILE 26 3.845 5.344 -1.242 203 HG21 ILE 26 HG21 ILE 26 2.774 3.762 2.566 204 HG22 ILE 26 HG22 ILE 26 3.992 2.950 1.584 205 HG23 ILE 26 HG23 ILE 26 2.296 2.900 1.103 206 HD11 ILE 26 HD11 ILE 26 5.514 3.645 -1.649 207 HD12 ILE 26 HD12 ILE 26 5.169 2.899 -0.087 208 HD13 ILE 26 HD13 ILE 26 5.875 4.513 -0.158 209 H GLY 27 HN GLY 27 2.617 7.553 2.015 210 HA2 GLY 27 HA2 GLY 27 1.820 6.757 4.584 211 HA3 GLY 27 HA1 GLY 27 2.123 8.414 4.084 212 H ALA 28 HN ALA 28 0.106 8.625 2.120 213 HA ALA 28 HA ALA 28 -2.124 9.264 3.757 214 HB1 ALA 28 HB1 ALA 28 -1.513 10.516 1.709 215 HB2 ALA 28 HB2 ALA 28 -3.194 9.981 1.707 216 HB3 ALA 28 HB3 ALA 28 -1.993 9.118 0.747 217 H MET 29 HN MET 29 -1.461 6.718 1.399 218 HA MET 29 HA MET 29 -3.968 5.477 1.361 219 HB2 MET 29 HB2 MET 29 -2.216 4.956 -0.255 220 HB3 MET 29 HB1 MET 29 -1.213 4.272 1.017 221 HG2 MET 29 HG2 MET 29 -3.244 2.688 1.384 222 HG3 MET 29 HG1 MET 29 -3.672 3.173 -0.258 223 HE1 MET 29 HE1 MET 29 -0.174 2.454 1.532 224 HE2 MET 29 HE2 MET 29 0.063 0.791 0.997 225 HE3 MET 29 HE3 MET 29 -1.302 1.199 2.041 226 H LEU 30 HN LEU 30 -1.201 5.038 3.491 227 HA LEU 30 HA LEU 30 -2.066 2.803 4.918 228 HB2 LEU 30 HB2 LEU 30 0.167 4.222 4.928 229 HB3 LEU 30 HB1 LEU 30 -0.594 4.988 6.310 230 HG LEU 30 HG LEU 30 -0.797 2.740 7.379 231 HD11 LEU 30 HD11 LEU 30 0.813 1.899 4.977 232 HD12 LEU 30 HD12 LEU 30 -0.766 1.294 5.479 233 HD13 LEU 30 HD13 LEU 30 0.661 0.939 6.450 234 HD21 LEU 30 HD21 LEU 30 1.565 2.573 7.987 235 HD22 LEU 30 HD22 LEU 30 1.038 4.253 7.932 236 HD23 LEU 30 HD23 LEU 30 1.994 3.587 6.610 237 H SER 31 HN SER 31 -2.510 6.256 5.639 238 HA SER 31 HA SER 31 -4.019 5.900 7.986 239 HB2 SER 31 HB2 SER 31 -4.167 8.214 6.040 240 HB3 SER 31 HB1 SER 31 -4.602 8.242 7.748 241 HG SER 31 HG SER 31 -2.497 8.085 8.309 242 H LEU 32 HN LEU 32 -4.967 6.200 4.596 243 HA LEU 32 HA LEU 32 -7.736 6.400 4.957 244 HB2 LEU 32 HB2 LEU 32 -5.899 5.943 2.772 245 HB3 LEU 32 HB1 LEU 32 -7.342 4.965 2.589 246 HG LEU 32 HG LEU 32 -7.533 7.100 1.412 247 HD11 LEU 32 HD11 LEU 32 -9.546 6.014 2.289 248 HD12 LEU 32 HD12 LEU 32 -9.697 7.771 2.265 249 HD13 LEU 32 HD13 LEU 32 -9.378 6.932 3.784 250 HD21 LEU 32 HD21 LEU 32 -7.762 9.182 2.747 251 HD22 LEU 32 HD22 LEU 32 -6.134 8.503 2.747 252 HD23 LEU 32 HD23 LEU 32 -7.177 8.291 4.152 253 H LEU 33 HN LEU 33 -5.709 3.529 4.415 254 HA LEU 33 HA LEU 33 -7.833 1.671 4.472 255 HB2 LEU 33 HB2 LEU 33 -4.914 1.261 5.124 256 HB3 LEU 33 HB1 LEU 33 -6.075 -0.018 4.815 257 HG LEU 33 HG LEU 33 -5.163 2.067 2.833 258 HD11 LEU 33 HD11 LEU 33 -4.145 0.157 1.681 259 HD12 LEU 33 HD12 LEU 33 -4.627 -0.895 3.013 260 HD13 LEU 33 HD13 LEU 33 -3.462 0.401 3.289 261 HD21 LEU 33 HD21 LEU 33 -7.433 1.541 2.351 262 HD22 LEU 33 HD22 LEU 33 -7.148 -0.181 2.591 263 HD23 LEU 33 HD23 LEU 33 -6.433 0.646 1.206 264 H GLN 34 HN GLN 34 -5.880 3.100 7.008 265 HA GLN 34 HA GLN 34 -6.744 1.303 9.047 266 HB2 GLN 34 HB2 GLN 34 -5.170 3.808 8.924 267 HB3 GLN 34 HB1 GLN 34 -5.943 3.439 10.460 268 HG2 GLN 34 HG2 GLN 34 -4.837 1.258 10.483 269 HG3 GLN 34 HG1 GLN 34 -4.049 1.651 8.955 270 HE21 GLN 34 HE21 GLN 34 -4.215 2.359 12.360 271 HE22 GLN 34 HE22 GLN 34 -2.705 3.190 12.465 272 H LYS 35 HN LYS 35 -7.709 4.603 8.105 273 HA LYS 35 HA LYS 35 -9.639 4.862 10.162 274 HB2 LYS 35 HB2 LYS 35 -10.198 6.912 9.222 275 HB3 LYS 35 HB1 LYS 35 -8.520 6.704 8.740 276 HG2 LYS 35 HG2 LYS 35 -9.205 6.015 6.527 277 HG3 LYS 35 HG1 LYS 35 -10.905 6.113 6.998 278 HD2 LYS 35 HD2 LYS 35 -10.299 8.576 7.622 279 HD3 LYS 35 HD1 LYS 35 -8.929 8.317 6.539 280 HE2 LYS 35 HE2 LYS 35 -10.252 8.736 4.802 281 HE3 LYS 35 HE1 LYS 35 -11.228 7.328 5.222 282 HZ1 LYS 35 HZ1 LYS 35 -12.511 8.762 6.727 283 HZ2 LYS 35 HZ2 LYS 35 -12.607 9.275 5.118 284 HZ3 LYS 35 HZ3 LYS 35 -11.617 10.104 6.208 285 H GLU 36 HN GLU 36 -9.722 3.338 7.049 286 HA GLU 36 HA GLU 36 -12.587 3.305 6.867 287 HB2 GLU 36 HB2 GLU 36 -10.337 2.456 5.217 288 HB3 GLU 36 HB1 GLU 36 -11.671 1.309 5.185 289 HG2 GLU 36 HG2 GLU 36 -11.791 4.237 4.503 290 HG3 GLU 36 HG1 GLU 36 -11.928 2.877 3.390 291 H GLY 37 HN GLY 37 -10.416 1.644 8.764 292 HA2 GLY 37 HA2 GLY 37 -10.908 -0.005 10.325 293 HA3 GLY 37 HA1 GLY 37 -12.457 -0.256 9.537 294 H LEU 38 HN LEU 38 -9.907 -0.274 7.337 295 HA LEU 38 HA LEU 38 -10.233 -3.104 6.900 296 HB2 LEU 38 HB2 LEU 38 -8.591 -0.992 5.510 297 HB3 LEU 38 HB1 LEU 38 -8.570 -2.679 5.037 298 HG LEU 38 HG LEU 38 -11.048 -0.959 5.046 299 HD11 LEU 38 HD11 LEU 38 -9.260 -1.763 2.763 300 HD12 LEU 38 HD12 LEU 38 -9.449 -0.135 3.414 301 HD13 LEU 38 HD13 LEU 38 -10.806 -0.929 2.613 302 HD21 LEU 38 HD21 LEU 38 -11.952 -2.793 3.653 303 HD22 LEU 38 HD22 LEU 38 -11.563 -3.300 5.296 304 HD23 LEU 38 HD23 LEU 38 -10.482 -3.716 3.965 305 H LEU 39 HN LEU 39 -7.737 -0.914 8.066 306 HA LEU 39 HA LEU 39 -6.221 -3.265 8.996 307 HB2 LEU 39 HB2 LEU 39 -5.106 -0.653 7.956 308 HB3 LEU 39 HB1 LEU 39 -4.148 -1.930 8.679 309 HG LEU 39 HG LEU 39 -5.775 -2.261 6.163 310 HD11 LEU 39 HD11 LEU 39 -2.851 -1.678 6.535 311 HD12 LEU 39 HD12 LEU 39 -4.051 -0.671 5.726 312 HD13 LEU 39 HD13 LEU 39 -3.583 -2.218 5.024 313 HD21 LEU 39 HD21 LEU 39 -4.295 -4.262 5.905 314 HD22 LEU 39 HD22 LEU 39 -5.459 -4.359 7.226 315 HD23 LEU 39 HD23 LEU 39 -3.768 -4.001 7.566 316 H MET 40 HN MET 40 -4.991 -2.918 10.953 317 HA MET 40 HA MET 40 -6.174 -0.807 12.647 318 HB2 MET 40 HB2 MET 40 -6.719 -3.203 13.213 319 HB3 MET 40 HB1 MET 40 -5.010 -3.444 13.556 320 HG2 MET 40 HG2 MET 40 -5.077 -1.914 15.369 321 HG3 MET 40 HG1 MET 40 -6.703 -1.387 14.939 322 HE1 MET 40 HE1 MET 40 -4.497 -4.235 16.472 323 HE2 MET 40 HE2 MET 40 -5.186 -5.047 15.066 324 HE3 MET 40 HE3 MET 40 -5.670 -5.534 16.692 325 H SER 41 HN SER 41 -3.243 -2.662 11.981 326 HA SER 41 HA SER 41 -1.659 -0.483 13.190 327 HB2 SER 41 HB2 SER 41 -0.163 -2.932 12.901 328 HB3 SER 41 HB1 SER 41 -0.538 -2.036 14.372 329 HG SER 41 HG SER 41 -1.926 -4.170 13.166 330 HA PRO 42 HA PRO 42 0.276 0.057 9.236 331 HB2 PRO 42 HB2 PRO 42 2.822 0.739 9.915 332 HB3 PRO 42 HB1 PRO 42 1.444 1.831 10.151 333 HG2 PRO 42 HG2 PRO 42 2.842 0.107 12.133 334 HG3 PRO 42 HG1 PRO 42 2.225 1.761 12.310 335 HD2 PRO 42 HD2 PRO 42 0.916 -0.417 13.258 336 HD3 PRO 42 HD1 PRO 42 0.092 1.065 12.736 337 H SER 43 HN SER 43 1.329 -2.335 11.404 338 HA SER 43 HA SER 43 3.237 -3.523 9.559 339 HB2 SER 43 HB2 SER 43 2.439 -4.886 12.086 340 HB3 SER 43 HB1 SER 43 4.036 -4.713 11.353 341 HG SER 43 HG SER 43 3.466 -3.435 13.359 342 H ASP 44 HN ASP 44 -0.018 -3.489 9.827 343 HA ASP 44 HA ASP 44 -0.658 -6.266 9.581 344 HB2 ASP 44 HB2 ASP 44 -2.256 -3.791 8.891 345 HB3 ASP 44 HB1 ASP 44 -2.895 -5.429 8.837 346 H LEU 45 HN LEU 45 0.557 -3.891 7.484 347 HA LEU 45 HA LEU 45 -0.439 -4.680 4.995 348 HB2 LEU 45 HB2 LEU 45 1.453 -2.872 6.010 349 HB3 LEU 45 HB1 LEU 45 2.330 -3.861 4.863 350 HG LEU 45 HG LEU 45 1.496 -1.824 3.819 351 HD11 LEU 45 HD11 LEU 45 1.675 -3.924 2.511 352 HD12 LEU 45 HD12 LEU 45 0.485 -2.784 1.884 353 HD13 LEU 45 HD13 LEU 45 -0.044 -4.195 2.797 354 HD21 LEU 45 HD21 LEU 45 -0.930 -1.506 3.486 355 HD22 LEU 45 HD22 LEU 45 -0.440 -1.377 5.174 356 HD23 LEU 45 HD23 LEU 45 -1.228 -2.844 4.594 357 H TYR 46 HN TYR 46 1.844 -6.210 7.077 358 HA TYR 46 HA TYR 46 3.080 -7.785 4.994 359 HB2 TYR 46 HB2 TYR 46 3.322 -7.930 8.004 360 HB3 TYR 46 HB1 TYR 46 4.265 -8.897 6.878 361 HD1 TYR 46 HD1 TYR 46 5.306 -7.231 4.906 362 HD2 TYR 46 HD2 TYR 46 4.508 -6.218 8.963 363 HE1 TYR 46 HE1 TYR 46 6.993 -5.447 4.785 364 HE2 TYR 46 HE2 TYR 46 6.190 -4.426 8.850 365 HH TYR 46 HH TYR 46 8.380 -4.065 7.316 366 H SER 47 HN SER 47 0.089 -7.937 6.225 367 HA SER 47 HA SER 47 0.020 -10.855 6.482 368 HB2 SER 47 HB2 SER 47 -2.226 -8.864 6.897 369 HB3 SER 47 HB1 SER 47 -2.234 -10.572 7.346 370 HG SER 47 HG SER 47 -0.117 -9.141 8.375 371 HA PRO 48 HA PRO 48 -1.026 -10.707 2.083 372 HB2 PRO 48 HB2 PRO 48 -0.958 -13.430 1.741 373 HB3 PRO 48 HB1 PRO 48 0.467 -12.380 1.682 374 HG2 PRO 48 HG2 PRO 48 -0.496 -14.125 3.870 375 HG3 PRO 48 HG1 PRO 48 1.161 -13.753 3.359 376 HD2 PRO 48 HD2 PRO 48 -0.016 -12.629 5.542 377 HD3 PRO 48 HD1 PRO 48 1.254 -11.833 4.593 378 H GLY 49 HN GLY 49 -2.598 -12.806 4.469 379 HA2 GLY 49 HA2 GLY 49 -4.805 -13.532 2.849 380 HA3 GLY 49 HA1 GLY 49 -4.754 -13.590 4.602 381 H SER 50 HN SER 50 -4.099 -10.651 4.626 382 HA SER 50 HA SER 50 -6.855 -9.759 4.614 383 HB2 SER 50 HB2 SER 50 -4.458 -8.107 5.389 384 HB3 SER 50 HB1 SER 50 -6.119 -7.969 5.966 385 HG SER 50 HG SER 50 -5.022 -9.004 7.569 386 H TRP 51 HN TRP 51 -4.356 -9.762 2.368 387 HA TRP 51 HA TRP 51 -4.571 -7.170 1.262 388 HB2 TRP 51 HB2 TRP 51 -3.691 -9.784 0.035 389 HB3 TRP 51 HB1 TRP 51 -3.608 -8.245 -0.809 390 HD1 TRP 51 HD1 TRP 51 -2.637 -6.876 2.185 391 HE1 TRP 51 HE1 TRP 51 -0.116 -7.068 2.697 392 HE3 TRP 51 HE3 TRP 51 -1.430 -10.590 -1.108 393 HZ2 TRP 51 HZ2 TRP 51 2.081 -8.584 1.810 394 HZ3 TRP 51 HZ3 TRP 51 0.910 -11.349 -1.223 395 HH2 TRP 51 HH2 TRP 51 2.626 -10.365 0.208 396 H ASP 52 HN ASP 52 -6.374 -10.139 0.695 397 HA ASP 52 HA ASP 52 -7.641 -9.367 -1.684 398 HB2 ASP 52 HB2 ASP 52 -7.581 -11.698 -0.890 399 HB3 ASP 52 HB1 ASP 52 -8.689 -11.277 0.412 400 HA PRO 53 HA PRO 53 -11.515 -7.980 0.984 401 HB2 PRO 53 HB2 PRO 53 -10.722 -7.051 3.501 402 HB3 PRO 53 HB1 PRO 53 -11.580 -8.567 3.180 403 HG2 PRO 53 HG2 PRO 53 -8.692 -8.100 3.658 404 HG3 PRO 53 HG1 PRO 53 -9.718 -9.471 4.130 405 HD2 PRO 53 HD2 PRO 53 -7.992 -9.651 2.088 406 HD3 PRO 53 HD1 PRO 53 -9.565 -10.475 2.059 407 H ILE 54 HN ILE 54 -8.342 -6.543 1.707 408 HA ILE 54 HA ILE 54 -9.183 -3.858 1.779 409 HB ILE 54 HB ILE 54 -6.483 -4.990 1.022 410 HG12 ILE 54 HG12 ILE 54 -7.387 -3.769 3.628 411 HG13 ILE 54 HG11 ILE 54 -7.364 -5.503 3.328 412 HG21 ILE 54 HG21 ILE 54 -5.629 -2.729 1.596 413 HG22 ILE 54 HG22 ILE 54 -7.298 -2.166 1.695 414 HG23 ILE 54 HG23 ILE 54 -6.655 -2.754 0.161 415 HD11 ILE 54 HD11 ILE 54 -5.388 -5.073 4.474 416 HD12 ILE 54 HD12 ILE 54 -5.061 -3.602 3.558 417 HD13 ILE 54 HD13 ILE 54 -4.890 -5.180 2.786 418 H THR 55 HN THR 55 -7.742 -5.775 -0.848 419 HA THR 55 HA THR 55 -7.852 -3.784 -2.814 420 HB THR 55 HB THR 55 -8.080 -6.760 -3.306 421 HG1 THR 55 HG1 THR 55 -6.257 -6.523 -2.075 422 HG21 THR 55 HG21 THR 55 -6.946 -6.242 -5.417 423 HG22 THR 55 HG22 THR 55 -6.924 -4.531 -4.992 424 HG23 THR 55 HG23 THR 55 -8.460 -5.346 -5.280 425 H ALA 56 HN ALA 56 -10.212 -6.228 -1.841 426 HA ALA 56 HA ALA 56 -12.082 -5.805 -3.894 427 HB1 ALA 56 HB1 ALA 56 -12.779 -6.597 -1.081 428 HB2 ALA 56 HB2 ALA 56 -12.019 -7.701 -2.226 429 HB3 ALA 56 HB3 ALA 56 -13.611 -7.029 -2.574 430 H ALA 57 HN ALA 57 -11.975 -4.463 -0.592 431 HA ALA 57 HA ALA 57 -14.237 -2.805 -0.880 432 HB1 ALA 57 HB1 ALA 57 -13.234 -3.466 1.282 433 HB2 ALA 57 HB2 ALA 57 -13.514 -1.731 1.146 434 HB3 ALA 57 HB3 ALA 57 -11.886 -2.376 0.953 435 H LEU 58 HN LEU 58 -10.780 -2.189 -1.395 436 HA LEU 58 HA LEU 58 -10.991 0.568 -1.886 437 HB2 LEU 58 HB2 LEU 58 -8.965 -1.483 -2.153 438 HB3 LEU 58 HB1 LEU 58 -8.876 -0.319 -3.460 439 HG LEU 58 HG LEU 58 -8.797 0.358 -0.519 440 HD11 LEU 58 HD11 LEU 58 -6.457 0.932 -0.964 441 HD12 LEU 58 HD12 LEU 58 -6.626 0.314 -2.607 442 HD13 LEU 58 HD13 LEU 58 -6.782 -0.781 -1.233 443 HD21 LEU 58 HD21 LEU 58 -8.483 2.084 -2.975 444 HD22 LEU 58 HD22 LEU 58 -8.173 2.607 -1.319 445 HD23 LEU 58 HD23 LEU 58 -9.801 2.144 -1.806 446 H SER 59 HN SER 59 -11.086 -2.193 -4.124 447 HA SER 59 HA SER 59 -11.304 -0.633 -6.475 448 HB2 SER 59 HB2 SER 59 -12.366 -3.441 -6.057 449 HB3 SER 59 HB1 SER 59 -11.964 -2.679 -7.593 450 HG SER 59 HG SER 59 -10.175 -3.366 -5.496 451 H GLN 60 HN GLN 60 -13.631 -1.773 -4.134 452 HA GLN 60 HA GLN 60 -15.973 -1.344 -5.639 453 HB2 GLN 60 HB2 GLN 60 -15.859 -2.687 -3.547 454 HB3 GLN 60 HB1 GLN 60 -15.652 -1.196 -2.638 455 HG2 GLN 60 HG2 GLN 60 -17.833 -0.422 -3.372 456 HG3 GLN 60 HG1 GLN 60 -18.040 -1.885 -4.332 457 HE21 GLN 60 HE21 GLN 60 -16.612 -1.715 -1.128 458 HE22 GLN 60 HE22 GLN 60 -17.847 -2.634 -0.335 459 H ARG 61 HN ARG 61 -14.530 0.704 -3.071 460 HA ARG 61 HA ARG 61 -16.287 2.864 -3.543 461 HB2 ARG 61 HB2 ARG 61 -14.593 4.231 -2.277 462 HB3 ARG 61 HB1 ARG 61 -15.202 2.815 -1.432 463 HG2 ARG 61 HG2 ARG 61 -13.138 1.607 -2.094 464 HG3 ARG 61 HG1 ARG 61 -12.530 3.111 -2.796 465 HD2 ARG 61 HD2 ARG 61 -13.498 3.205 0.008 466 HD3 ARG 61 HD1 ARG 61 -11.989 2.349 -0.291 467 HE ARG 61 HE ARG 61 -11.022 4.371 -1.064 468 HH11 ARG 61 HH11 ARG 61 -14.027 6.501 0.545 469 HH12 ARG 61 HH12 ARG 61 -14.227 4.796 0.310 470 HH21 ARG 61 HH21 ARG 61 -10.743 6.577 -0.734 471 HH22 ARG 61 HH22 ARG 61 -12.039 7.525 -0.047 472 H ALA 62 HN ALA 62 -13.336 1.890 -5.091 473 HA ALA 62 HA ALA 62 -12.709 4.371 -6.312 474 HB1 ALA 62 HB1 ALA 62 -11.993 1.600 -7.259 475 HB2 ALA 62 HB2 ALA 62 -11.092 2.527 -6.060 476 HB3 ALA 62 HB3 ALA 62 -11.206 3.111 -7.721 477 H MET 63 HN MET 63 -14.773 1.685 -7.227 478 HA MET 63 HA MET 63 -15.266 2.826 -9.852 479 HB2 MET 63 HB2 MET 63 -16.399 0.832 -10.384 480 HB3 MET 63 HB1 MET 63 -15.061 0.328 -9.363 481 HG2 MET 63 HG2 MET 63 -16.552 0.157 -7.454 482 HG3 MET 63 HG1 MET 63 -17.898 0.722 -8.439 483 HE1 MET 63 HE1 MET 63 -15.884 -3.396 -8.604 484 HE2 MET 63 HE2 MET 63 -15.501 -2.073 -7.508 485 HE3 MET 63 HE3 MET 63 -15.000 -1.990 -9.197 486 H ILE 64 HN ILE 64 -16.748 2.822 -6.721 487 HA ILE 64 HA ILE 64 -19.325 3.659 -7.771 488 HB ILE 64 HB ILE 64 -18.377 3.306 -4.926 489 HG12 ILE 64 HG12 ILE 64 -20.218 1.645 -6.668 490 HG13 ILE 64 HG11 ILE 64 -18.586 1.209 -6.174 491 HG21 ILE 64 HG21 ILE 64 -20.730 3.545 -4.284 492 HG22 ILE 64 HG22 ILE 64 -21.142 3.936 -5.954 493 HG23 ILE 64 HG23 ILE 64 -20.103 5.018 -5.026 494 HD11 ILE 64 HD11 ILE 64 -20.958 1.548 -4.356 495 HD12 ILE 64 HD12 ILE 64 -19.319 1.149 -3.840 496 HD13 ILE 64 HD13 ILE 64 -20.223 0.024 -4.855 497 H LEU 65 HN LEU 65 -16.815 5.054 -5.645 498 HA LEU 65 HA LEU 65 -18.091 7.630 -5.700 499 HB2 LEU 65 HB2 LEU 65 -15.562 6.564 -4.501 500 HB3 LEU 65 HB1 LEU 65 -15.827 8.294 -4.596 501 HG LEU 65 HG LEU 65 -18.051 7.809 -3.369 502 HD11 LEU 65 HD11 LEU 65 -16.527 5.277 -2.787 503 HD12 LEU 65 HD12 LEU 65 -18.094 5.416 -3.585 504 HD13 LEU 65 HD13 LEU 65 -17.929 5.843 -1.883 505 HD21 LEU 65 HD21 LEU 65 -16.153 9.003 -2.395 506 HD22 LEU 65 HD22 LEU 65 -15.414 7.467 -1.940 507 HD23 LEU 65 HD23 LEU 65 -16.941 7.964 -1.212 508 H GLY 66 HN GLY 66 -15.817 5.970 -7.635 509 HA2 GLY 66 HA2 GLY 66 -14.906 6.605 -9.663 510 HA3 GLY 66 HA1 GLY 66 -15.672 8.175 -9.472 511 H LYS 67 HN LYS 67 -13.345 6.493 -7.406 512 HA LYS 67 HA LYS 67 -11.295 8.454 -8.062 513 HB2 LYS 67 HB2 LYS 67 -10.819 8.803 -5.613 514 HB3 LYS 67 HB1 LYS 67 -12.305 9.539 -6.191 515 HG2 LYS 67 HG2 LYS 67 -13.640 8.109 -5.007 516 HG3 LYS 67 HG1 LYS 67 -12.433 6.821 -4.993 517 HD2 LYS 67 HD2 LYS 67 -12.659 7.717 -2.769 518 HD3 LYS 67 HD1 LYS 67 -11.081 8.175 -3.410 519 HE2 LYS 67 HE2 LYS 67 -13.332 10.062 -3.823 520 HE3 LYS 67 HE1 LYS 67 -12.696 9.905 -2.187 521 HZ1 LYS 67 HZ1 LYS 67 -11.175 10.680 -4.613 522 HZ2 LYS 67 HZ2 LYS 67 -10.470 10.376 -3.109 523 HZ3 LYS 67 HZ3 LYS 67 -11.549 11.663 -3.291 524 H SER 68 HN SER 68 -9.430 7.439 -8.355 525 HA SER 68 HA SER 68 -9.060 4.835 -7.031 526 HB2 SER 68 HB2 SER 68 -7.431 4.518 -9.077 527 HB3 SER 68 HB1 SER 68 -9.164 4.240 -9.260 528 HG SER 68 HG SER 68 -7.550 6.188 -10.361 529 H GLY 69 HN GLY 69 -8.330 7.498 -6.039 530 HA2 GLY 69 HA2 GLY 69 -5.635 8.122 -6.366 531 HA3 GLY 69 HA1 GLY 69 -6.586 8.489 -4.937 532 H GLU 70 HN GLU 70 -7.044 6.357 -3.608 533 HA GLU 70 HA GLU 70 -4.482 5.455 -2.724 534 HB2 GLU 70 HB2 GLU 70 -7.043 4.130 -1.908 535 HB3 GLU 70 HB1 GLU 70 -5.602 4.434 -0.952 536 HG2 GLU 70 HG2 GLU 70 -6.982 5.983 -0.053 537 HG3 GLU 70 HG1 GLU 70 -6.296 6.950 -1.358 538 H LEU 71 HN LEU 71 -6.914 4.221 -4.867 539 HA LEU 71 HA LEU 71 -6.215 1.492 -4.829 540 HB2 LEU 71 HB2 LEU 71 -8.300 2.369 -5.821 541 HB3 LEU 71 HB1 LEU 71 -7.366 3.116 -7.103 542 HG LEU 71 HG LEU 71 -6.570 0.790 -7.714 543 HD11 LEU 71 HD11 LEU 71 -7.132 -0.337 -5.637 544 HD12 LEU 71 HD12 LEU 71 -7.992 -1.074 -6.988 545 HD13 LEU 71 HD13 LEU 71 -8.840 0.013 -5.890 546 HD21 LEU 71 HD21 LEU 71 -8.573 0.296 -8.990 547 HD22 LEU 71 HD22 LEU 71 -8.261 2.030 -8.982 548 HD23 LEU 71 HD23 LEU 71 -9.523 1.358 -7.949 549 H LYS 72 HN LYS 72 -4.961 4.256 -6.606 550 HA LYS 72 HA LYS 72 -3.309 2.857 -8.415 551 HB2 LYS 72 HB2 LYS 72 -3.386 5.639 -7.322 552 HB3 LYS 72 HB1 LYS 72 -1.947 5.119 -8.180 553 HG2 LYS 72 HG2 LYS 72 -4.643 4.769 -9.420 554 HG3 LYS 72 HG1 LYS 72 -3.827 6.332 -9.466 555 HD2 LYS 72 HD2 LYS 72 -2.648 3.743 -10.465 556 HD3 LYS 72 HD1 LYS 72 -3.425 4.956 -11.481 557 HE2 LYS 72 HE2 LYS 72 -0.914 5.291 -9.844 558 HE3 LYS 72 HE1 LYS 72 -1.032 5.240 -11.600 559 HZ1 LYS 72 HZ1 LYS 72 -1.999 7.366 -9.776 560 HZ2 LYS 72 HZ2 LYS 72 -2.456 7.278 -11.398 561 HZ3 LYS 72 HZ3 LYS 72 -0.831 7.492 -10.994 562 H THR 73 HN THR 73 -2.610 4.384 -5.298 563 HA THR 73 HA THR 73 0.069 3.634 -5.080 564 HB THR 73 HB THR 73 -1.686 3.856 -2.666 565 HG1 THR 73 HG1 THR 73 -0.961 6.012 -4.416 566 HG21 THR 73 HG21 THR 73 1.022 4.991 -3.379 567 HG22 THR 73 HG22 THR 73 0.726 3.568 -2.378 568 HG23 THR 73 HG23 THR 73 0.213 5.160 -1.824 569 H TRP 74 HN TRP 74 -2.836 2.108 -3.685 570 HA TRP 74 HA TRP 74 -1.567 -0.016 -2.399 571 HB2 TRP 74 HB2 TRP 74 -3.872 0.503 -1.930 572 HB3 TRP 74 HB1 TRP 74 -4.339 0.162 -3.592 573 HD1 TRP 74 HD1 TRP 74 -5.262 -2.199 -4.015 574 HE1 TRP 74 HE1 TRP 74 -5.235 -4.446 -2.756 575 HE3 TRP 74 HE3 TRP 74 -2.179 -0.916 -0.137 576 HZ2 TRP 74 HZ2 TRP 74 -4.067 -5.525 -0.436 577 HZ3 TRP 74 HZ3 TRP 74 -1.660 -2.617 1.563 578 HH2 TRP 74 HH2 TRP 74 -2.583 -4.879 1.418 579 H GLY 75 HN GLY 75 -2.964 0.109 -5.670 580 HA2 GLY 75 HA2 GLY 75 -2.488 -2.531 -6.409 581 HA3 GLY 75 HA1 GLY 75 -2.559 -1.178 -7.526 582 H LEU 76 HN LEU 76 -0.327 0.262 -6.619 583 HA LEU 76 HA LEU 76 1.737 -1.091 -8.010 584 HB2 LEU 76 HB2 LEU 76 1.785 1.366 -6.267 585 HB3 LEU 76 HB1 LEU 76 3.160 0.804 -7.197 586 HG LEU 76 HG LEU 76 0.519 1.523 -8.458 587 HD11 LEU 76 HD11 LEU 76 2.947 3.253 -8.037 588 HD12 LEU 76 HD12 LEU 76 1.329 3.509 -7.384 589 HD13 LEU 76 HD13 LEU 76 1.611 3.640 -9.120 590 HD21 LEU 76 HD21 LEU 76 1.823 1.646 -10.499 591 HD22 LEU 76 HD22 LEU 76 1.983 0.052 -9.765 592 HD23 LEU 76 HD23 LEU 76 3.288 1.230 -9.612 593 H VAL 77 HN VAL 77 1.210 -0.416 -4.561 594 HA VAL 77 HA VAL 77 3.632 -1.614 -3.681 595 HB VAL 77 HB VAL 77 1.077 -1.154 -2.127 596 HG11 VAL 77 HG11 VAL 77 2.547 -2.773 -1.036 597 HG12 VAL 77 HG12 VAL 77 2.493 -1.256 -0.139 598 HG13 VAL 77 HG13 VAL 77 3.889 -1.635 -1.148 599 HG21 VAL 77 HG21 VAL 77 3.530 0.556 -2.491 600 HG22 VAL 77 HG22 VAL 77 2.268 0.862 -1.296 601 HG23 VAL 77 HG23 VAL 77 1.888 0.922 -3.016 602 H LEU 78 HN LEU 78 0.311 -2.791 -3.987 603 HA LEU 78 HA LEU 78 0.572 -5.284 -2.782 604 HB2 LEU 78 HB2 LEU 78 -1.555 -4.281 -3.492 605 HB3 LEU 78 HB1 LEU 78 -1.117 -4.532 -5.171 606 HG LEU 78 HG LEU 78 -1.096 -6.987 -4.746 607 HD11 LEU 78 HD11 LEU 78 -2.209 -6.156 -2.068 608 HD12 LEU 78 HD12 LEU 78 -0.679 -6.981 -2.359 609 HD13 LEU 78 HD13 LEU 78 -2.202 -7.803 -2.696 610 HD21 LEU 78 HD21 LEU 78 -3.046 -5.881 -5.715 611 HD22 LEU 78 HD22 LEU 78 -3.678 -5.560 -4.099 612 HD23 LEU 78 HD23 LEU 78 -3.529 -7.221 -4.676 613 H GLY 79 HN GLY 79 1.232 -4.321 -6.121 614 HA2 GLY 79 HA2 GLY 79 1.775 -6.841 -7.190 615 HA3 GLY 79 HA1 GLY 79 2.456 -5.330 -7.776 616 H ALA 80 HN ALA 80 3.890 -4.624 -5.444 617 HA ALA 80 HA ALA 80 6.255 -6.168 -5.850 618 HB1 ALA 80 HB1 ALA 80 5.658 -4.031 -3.800 619 HB2 ALA 80 HB2 ALA 80 6.367 -3.769 -5.394 620 HB3 ALA 80 HB3 ALA 80 7.255 -4.679 -4.173 621 H LEU 81 HN LEU 81 3.908 -5.847 -3.230 622 HA LEU 81 HA LEU 81 5.180 -7.451 -1.326 623 HB2 LEU 81 HB2 LEU 81 2.231 -7.035 -1.802 624 HB3 LEU 81 HB1 LEU 81 2.922 -7.754 -0.360 625 HG LEU 81 HG LEU 81 3.564 -4.946 -1.243 626 HD11 LEU 81 HD11 LEU 81 1.456 -5.842 0.718 627 HD12 LEU 81 HD12 LEU 81 1.146 -5.179 -0.884 628 HD13 LEU 81 HD13 LEU 81 1.906 -4.178 0.350 629 HD21 LEU 81 HD21 LEU 81 3.808 -6.351 1.417 630 HD22 LEU 81 HD22 LEU 81 4.259 -4.682 1.076 631 HD23 LEU 81 HD23 LEU 81 5.139 -6.007 0.314 632 H LYS 82 HN LYS 82 2.749 -8.316 -3.772 633 HA LYS 82 HA LYS 82 2.524 -11.027 -3.120 634 HB2 LYS 82 HB2 LYS 82 2.095 -9.525 -5.693 635 HB3 LYS 82 HB1 LYS 82 1.816 -11.256 -5.566 636 HG2 LYS 82 HG2 LYS 82 0.187 -10.821 -3.760 637 HG3 LYS 82 HG1 LYS 82 0.418 -9.089 -4.017 638 HD2 LYS 82 HD2 LYS 82 -0.387 -9.273 -6.283 639 HD3 LYS 82 HD1 LYS 82 -0.494 -11.028 -6.143 640 HE2 LYS 82 HE2 LYS 82 -2.183 -10.743 -4.365 641 HE3 LYS 82 HE1 LYS 82 -2.111 -8.997 -4.607 642 HZ1 LYS 82 HZ1 LYS 82 -3.026 -11.047 -6.546 643 HZ2 LYS 82 HZ2 LYS 82 -2.762 -9.430 -6.960 644 HZ3 LYS 82 HZ3 LYS 82 -3.953 -9.829 -5.829 645 H ALA 83 HN ALA 83 4.698 -9.373 -5.374 646 HA ALA 83 HA ALA 83 5.914 -11.685 -6.428 647 HB1 ALA 83 HB1 ALA 83 7.053 -8.905 -6.177 648 HB2 ALA 83 HB2 ALA 83 6.044 -9.487 -7.503 649 HB3 ALA 83 HB3 ALA 83 7.644 -10.180 -7.243 650 H ALA 84 HN ALA 84 6.674 -9.630 -3.662 651 HA ALA 84 HA ALA 84 9.155 -10.799 -3.002 652 HB1 ALA 84 HB1 ALA 84 8.855 -9.745 -0.820 653 HB2 ALA 84 HB2 ALA 84 7.158 -9.441 -1.193 654 HB3 ALA 84 HB3 ALA 84 8.423 -8.637 -2.121 655 H ARG 85 HN ARG 85 5.849 -11.669 -2.268 656 HA ARG 85 HA ARG 85 6.604 -13.677 -0.337 657 HB2 ARG 85 HB2 ARG 85 4.035 -12.649 -1.449 658 HB3 ARG 85 HB1 ARG 85 4.045 -14.245 -0.713 659 HG2 ARG 85 HG2 ARG 85 5.151 -11.854 0.713 660 HG3 ARG 85 HG1 ARG 85 3.433 -12.258 0.768 661 HD2 ARG 85 HD2 ARG 85 3.881 -14.354 1.803 662 HD3 ARG 85 HD1 ARG 85 5.610 -14.208 1.499 663 HE ARG 85 HE ARG 85 5.148 -12.070 3.047 664 HH11 ARG 85 HH11 ARG 85 4.264 -15.394 5.137 665 HH12 ARG 85 HH12 ARG 85 4.225 -15.429 3.401 666 HH21 ARG 85 HH21 ARG 85 5.156 -11.993 5.332 667 HH22 ARG 85 HH22 ARG 85 4.794 -13.433 6.236 668 H GLU 86 HN GLU 86 6.750 -13.576 -3.636 669 HA GLU 86 HA GLU 86 5.871 -16.309 -4.084 670 HB2 GLU 86 HB2 GLU 86 6.995 -14.187 -5.902 671 HB3 GLU 86 HB1 GLU 86 6.720 -15.837 -6.442 672 HG2 GLU 86 HG2 GLU 86 4.322 -15.562 -5.770 673 HG3 GLU 86 HG1 GLU 86 4.673 -13.854 -5.491 674 H GLU 87 HN GLU 87 8.847 -14.485 -3.779 675 HA GLU 87 HA GLU 87 10.400 -16.912 -4.306 676 HB2 GLU 87 HB2 GLU 87 11.313 -14.041 -4.042 677 HB3 GLU 87 HB1 GLU 87 12.351 -15.411 -4.418 678 HG2 GLU 87 HG2 GLU 87 10.951 -15.797 -6.454 679 HG3 GLU 87 HG1 GLU 87 10.141 -14.270 -6.109 680 H1 IHP 101 H37 IHP 0 14.824 11.163 0.861 681 H2 IHP 101 H38 IHP 0 13.360 12.239 2.552 682 H3 IHP 101 H39 IHP 0 12.910 12.614 0.164 683 H4 IHP 101 H40 IHP 0 10.986 10.250 0.473 684 H5 IHP 101 H41 IHP 0 13.520 10.611 -1.214 685 H6 IHP 101 H42 IHP 0 12.913 8.804 1.180 Start of MODEL 4 1 H1 SER 1 HT1 SER 1 3.991 4.649 10.372 2 H2 SER 1 HT2 SER 1 3.635 4.364 12.000 3 H3 SER 1 HT3 SER 1 5.138 3.922 11.377 4 HA SER 1 HA SER 1 4.128 6.688 11.561 5 HB2 SER 1 HB2 SER 1 6.424 5.758 13.200 6 HB3 SER 1 HB1 SER 1 5.152 6.917 13.591 7 HG SER 1 HG SER 1 4.290 5.340 14.672 8 H GLU 2 HN GLU 2 7.291 5.005 11.662 9 HA GLU 2 HA GLU 2 8.116 6.637 9.355 10 HB2 GLU 2 HB2 GLU 2 9.937 6.040 11.681 11 HB3 GLU 2 HB1 GLU 2 10.190 7.188 10.372 12 HG2 GLU 2 HG2 GLU 2 9.196 8.805 11.506 13 HG3 GLU 2 HG1 GLU 2 7.773 7.806 11.798 14 H ALA 3 HN ALA 3 9.443 4.075 11.451 15 HA ALA 3 HA ALA 3 11.145 2.886 9.647 16 HB1 ALA 3 HB1 ALA 3 11.048 2.434 12.072 17 HB2 ALA 3 HB2 ALA 3 11.164 0.974 11.090 18 HB3 ALA 3 HB3 ALA 3 9.616 1.440 11.795 19 H VAL 4 HN VAL 4 7.747 1.975 10.224 20 HA VAL 4 HA VAL 4 7.655 -0.241 8.542 21 HB VAL 4 HB VAL 4 5.475 1.724 9.258 22 HG11 VAL 4 HG11 VAL 4 3.880 -0.005 8.520 23 HG12 VAL 4 HG12 VAL 4 5.225 -0.947 7.877 24 HG13 VAL 4 HG13 VAL 4 4.848 0.633 7.192 25 HG21 VAL 4 HG21 VAL 4 6.039 -1.055 10.283 26 HG22 VAL 4 HG22 VAL 4 4.772 0.040 10.838 27 HG23 VAL 4 HG23 VAL 4 6.466 0.440 11.115 28 H ILE 5 HN ILE 5 7.273 3.187 7.774 29 HA ILE 5 HA ILE 5 6.336 2.855 5.140 30 HB ILE 5 HB ILE 5 7.921 5.164 6.276 31 HG12 ILE 5 HG12 ILE 5 4.937 4.686 6.099 32 HG13 ILE 5 HG11 ILE 5 5.896 4.731 7.572 33 HG21 ILE 5 HG21 ILE 5 6.187 4.947 3.817 34 HG22 ILE 5 HG22 ILE 5 7.927 5.227 3.866 35 HG23 ILE 5 HG23 ILE 5 6.819 6.460 4.468 36 HD11 ILE 5 HD11 ILE 5 5.646 7.080 5.718 37 HD12 ILE 5 HD12 ILE 5 6.261 7.050 7.372 38 HD13 ILE 5 HD13 ILE 5 4.547 6.785 7.065 39 H LYS 6 HN LYS 6 9.593 3.170 6.490 40 HA LYS 6 HA LYS 6 11.011 3.328 4.083 41 HB2 LYS 6 HB2 LYS 6 11.865 2.104 6.713 42 HB3 LYS 6 HB1 LYS 6 12.949 2.466 5.380 43 HG2 LYS 6 HG2 LYS 6 11.480 4.368 7.164 44 HG3 LYS 6 HG1 LYS 6 13.214 4.238 6.874 45 HD2 LYS 6 HD2 LYS 6 11.180 5.131 4.832 46 HD3 LYS 6 HD1 LYS 6 12.191 6.204 5.791 47 HE2 LYS 6 HE2 LYS 6 14.188 5.318 4.777 48 HE3 LYS 6 HE1 LYS 6 13.253 4.104 3.906 49 HZ1 LYS 6 HZ1 LYS 6 12.231 5.800 2.604 50 HZ2 LYS 6 HZ2 LYS 6 13.899 6.058 2.550 51 HZ3 LYS 6 HZ3 LYS 6 12.924 7.029 3.532 52 H VAL 7 HN VAL 7 9.942 0.542 5.956 53 HA VAL 7 HA VAL 7 11.225 -1.450 4.453 54 HB VAL 7 HB VAL 7 8.568 -1.746 5.859 55 HG11 VAL 7 HG11 VAL 7 9.146 -3.647 4.463 56 HG12 VAL 7 HG12 VAL 7 9.286 -4.078 6.166 57 HG13 VAL 7 HG13 VAL 7 10.737 -3.744 5.221 58 HG21 VAL 7 HG21 VAL 7 10.154 -0.722 7.378 59 HG22 VAL 7 HG22 VAL 7 11.355 -1.951 6.990 60 HG23 VAL 7 HG23 VAL 7 9.875 -2.401 7.840 61 H ILE 8 HN ILE 8 8.375 0.418 3.816 62 HA ILE 8 HA ILE 8 7.429 -1.370 1.745 63 HB ILE 8 HB ILE 8 6.445 1.375 2.535 64 HG12 ILE 8 HG12 ILE 8 6.154 -0.242 4.334 65 HG13 ILE 8 HG11 ILE 8 4.595 0.133 3.607 66 HG21 ILE 8 HG21 ILE 8 5.126 -0.694 0.784 67 HG22 ILE 8 HG22 ILE 8 5.902 0.780 0.206 68 HG23 ILE 8 HG23 ILE 8 4.468 0.881 1.229 69 HD11 ILE 8 HD11 ILE 8 6.241 -2.352 3.171 70 HD12 ILE 8 HD12 ILE 8 4.754 -1.971 2.301 71 HD13 ILE 8 HD13 ILE 8 4.716 -2.221 4.045 72 H SER 9 HN SER 9 8.494 2.048 1.809 73 HA SER 9 HA SER 9 8.584 2.368 -0.970 74 HB2 SER 9 HB2 SER 9 10.444 3.906 0.791 75 HB3 SER 9 HB1 SER 9 9.429 4.470 -0.539 76 HG SER 9 HG SER 9 8.746 5.019 1.678 77 H SER 10 HN SER 10 11.265 1.649 1.289 78 HA SER 10 HA SER 10 13.264 1.601 -0.685 79 HB2 SER 10 HB2 SER 10 13.216 0.150 1.965 80 HB3 SER 10 HB1 SER 10 14.649 0.482 0.995 81 HG SER 10 HG SER 10 14.079 2.759 1.229 82 H ALA 11 HN ALA 11 10.915 -0.778 0.238 83 HA ALA 11 HA ALA 11 12.320 -2.982 -0.974 84 HB1 ALA 11 HB1 ALA 11 9.442 -2.802 -0.107 85 HB2 ALA 11 HB2 ALA 11 10.781 -3.339 0.903 86 HB3 ALA 11 HB3 ALA 11 10.321 -4.273 -0.521 87 H CYS 12 HN CYS 12 9.415 -1.074 -1.801 88 HA CYS 12 HA CYS 12 8.924 -2.360 -4.246 89 HB2 CYS 12 HB2 CYS 12 7.451 -0.541 -4.776 90 HB3 CYS 12 HB1 CYS 12 7.296 -0.898 -3.061 91 HG CYS 12 HG CYS 12 9.351 1.297 -2.668 92 H LYS 13 HN LYS 13 11.231 0.069 -3.381 93 HA LYS 13 HA LYS 13 11.728 1.100 -5.969 94 HB2 LYS 13 HB2 LYS 13 12.511 1.788 -3.480 95 HB3 LYS 13 HB1 LYS 13 13.972 0.990 -4.044 96 HG2 LYS 13 HG2 LYS 13 14.320 2.539 -5.737 97 HG3 LYS 13 HG1 LYS 13 12.641 3.087 -5.711 98 HD2 LYS 13 HD2 LYS 13 13.073 3.970 -3.402 99 HD3 LYS 13 HD1 LYS 13 14.780 3.606 -3.654 100 HE2 LYS 13 HE2 LYS 13 14.979 5.198 -5.367 101 HE3 LYS 13 HE1 LYS 13 13.232 5.311 -5.582 102 HZ1 LYS 13 HZ1 LYS 13 14.102 7.235 -4.409 103 HZ2 LYS 13 HZ2 LYS 13 14.742 6.237 -3.204 104 HZ3 LYS 13 HZ3 LYS 13 13.072 6.350 -3.402 105 H THR 14 HN THR 14 12.661 -1.824 -4.374 106 HA THR 14 HA THR 14 14.841 -2.375 -6.198 107 HB THR 14 HB THR 14 13.601 -4.384 -4.331 108 HG1 THR 14 HG1 THR 14 15.419 -2.278 -3.670 109 HG21 THR 14 HG21 THR 14 16.448 -3.916 -5.227 110 HG22 THR 14 HG22 THR 14 15.360 -5.148 -5.866 111 HG23 THR 14 HG23 THR 14 15.886 -5.225 -4.184 112 H TYR 15 HN TYR 15 11.455 -2.775 -6.176 113 HA TYR 15 HA TYR 15 11.598 -4.942 -8.160 114 HB2 TYR 15 HB2 TYR 15 9.287 -3.970 -6.468 115 HB3 TYR 15 HB1 TYR 15 9.138 -5.195 -7.723 116 HD1 TYR 15 HD1 TYR 15 10.513 -4.445 -4.398 117 HD2 TYR 15 HD2 TYR 15 9.958 -7.440 -7.366 118 HE1 TYR 15 HE1 TYR 15 11.161 -6.170 -2.769 119 HE2 TYR 15 HE2 TYR 15 10.604 -9.173 -5.745 120 HH TYR 15 HH TYR 15 11.834 -9.406 -3.693 121 H CYS 16 HN CYS 16 10.060 -1.792 -7.572 122 HA CYS 16 HA CYS 16 9.117 -1.635 -10.304 123 HB2 CYS 16 HB2 CYS 16 9.102 0.533 -8.199 124 HB3 CYS 16 HB1 CYS 16 8.104 0.443 -9.646 125 HG CYS 16 HG CYS 16 6.540 -1.659 -8.775 126 H GLY 17 HN GLY 17 11.634 -0.174 -8.312 127 HA2 GLY 17 HA2 GLY 17 13.681 0.647 -9.053 128 HA3 GLY 17 HA1 GLY 17 13.119 0.495 -10.711 129 H LYS 18 HN LYS 18 11.902 2.179 -11.634 130 HA LYS 18 HA LYS 18 12.165 4.726 -10.183 131 HB2 LYS 18 HB2 LYS 18 11.947 5.670 -12.615 132 HB3 LYS 18 HB1 LYS 18 13.486 5.052 -12.044 133 HG2 LYS 18 HG2 LYS 18 11.650 3.190 -13.464 134 HG3 LYS 18 HG1 LYS 18 12.534 4.395 -14.404 135 HD2 LYS 18 HD2 LYS 18 13.884 2.540 -12.451 136 HD3 LYS 18 HD1 LYS 18 13.644 2.127 -14.150 137 HE2 LYS 18 HE2 LYS 18 15.153 3.681 -14.885 138 HE3 LYS 18 HE1 LYS 18 14.907 4.739 -13.497 139 HZ1 LYS 18 HZ1 LYS 18 16.204 3.296 -12.138 140 HZ2 LYS 18 HZ2 LYS 18 17.093 3.605 -13.542 141 HZ3 LYS 18 HZ3 LYS 18 16.305 2.120 -13.354 142 H THR 19 HN THR 19 9.931 2.487 -10.956 143 HA THR 19 HA THR 19 7.810 4.452 -11.462 144 HB THR 19 HB THR 19 6.431 2.285 -11.828 145 HG1 THR 19 HG1 THR 19 8.246 0.740 -12.763 146 HG21 THR 19 HG21 THR 19 7.151 2.150 -14.159 147 HG22 THR 19 HG22 THR 19 8.637 3.009 -13.761 148 HG23 THR 19 HG23 THR 19 7.084 3.831 -13.628 149 H SER 20 HN SER 20 9.241 3.656 -8.887 150 HA SER 20 HA SER 20 7.273 2.397 -7.252 151 HB2 SER 20 HB2 SER 20 9.193 3.925 -5.746 152 HB3 SER 20 HB1 SER 20 9.032 2.173 -5.880 153 HG SER 20 HG SER 20 10.849 3.817 -7.022 154 HA PRO 21 HA PRO 21 4.857 5.974 -6.264 155 HB2 PRO 21 HB2 PRO 21 3.687 5.080 -3.988 156 HB3 PRO 21 HB1 PRO 21 3.248 4.449 -5.589 157 HG2 PRO 21 HG2 PRO 21 5.023 3.256 -3.517 158 HG3 PRO 21 HG1 PRO 21 3.818 2.477 -4.561 159 HD2 PRO 21 HD2 PRO 21 6.488 2.408 -5.068 160 HD3 PRO 21 HD1 PRO 21 5.244 2.324 -6.332 161 H SER 22 HN SER 22 4.999 7.798 -5.011 162 HA SER 22 HA SER 22 7.300 8.094 -3.347 163 HB2 SER 22 HB2 SER 22 5.951 10.380 -2.922 164 HB3 SER 22 HB1 SER 22 6.881 10.092 -4.391 165 HG SER 22 HG SER 22 5.075 9.813 -5.512 166 H LYS 23 HN LYS 23 7.358 8.553 -1.118 167 HA LYS 23 HA LYS 23 5.703 7.026 0.510 168 HB2 LYS 23 HB2 LYS 23 7.779 7.610 1.415 169 HB3 LYS 23 HB1 LYS 23 7.567 9.314 1.044 170 HG2 LYS 23 HG2 LYS 23 5.674 8.123 2.987 171 HG3 LYS 23 HG1 LYS 23 7.350 8.313 3.502 172 HD2 LYS 23 HD2 LYS 23 5.941 10.601 2.198 173 HD3 LYS 23 HD1 LYS 23 5.620 10.236 3.894 174 HE2 LYS 23 HE2 LYS 23 7.428 11.939 3.477 175 HE3 LYS 23 HE1 LYS 23 7.891 10.576 4.491 176 HZ1 LYS 23 HZ1 LYS 23 9.612 11.049 2.920 177 HZ2 LYS 23 HZ2 LYS 23 8.545 10.924 1.612 178 HZ3 LYS 23 HZ3 LYS 23 8.922 9.556 2.535 179 H LYS 24 HN LYS 24 5.360 10.334 -0.565 180 HA LYS 24 HA LYS 24 3.475 11.317 1.205 181 HB2 LYS 24 HB2 LYS 24 4.046 11.839 -1.685 182 HB3 LYS 24 HB1 LYS 24 2.619 12.560 -0.955 183 HG2 LYS 24 HG2 LYS 24 4.248 14.212 -0.751 184 HG3 LYS 24 HG1 LYS 24 4.224 13.448 0.839 185 HD2 LYS 24 HD2 LYS 24 6.178 12.127 0.255 186 HD3 LYS 24 HD1 LYS 24 6.180 12.813 -1.370 187 HE2 LYS 24 HE2 LYS 24 6.480 15.065 -0.335 188 HE3 LYS 24 HE1 LYS 24 6.659 14.269 1.226 189 HZ1 LYS 24 HZ1 LYS 24 8.569 13.075 0.345 190 HZ2 LYS 24 HZ2 LYS 24 8.802 14.744 0.249 191 HZ3 LYS 24 HZ3 LYS 24 8.407 13.865 -1.139 192 H GLU 25 HN GLU 25 2.977 9.342 -1.688 193 HA GLU 25 HA GLU 25 0.128 9.330 -1.459 194 HB2 GLU 25 HB2 GLU 25 1.968 7.508 -3.018 195 HB3 GLU 25 HB1 GLU 25 0.221 7.597 -3.206 196 HG2 GLU 25 HG2 GLU 25 0.852 10.178 -3.591 197 HG3 GLU 25 HG1 GLU 25 2.332 9.411 -4.173 198 H ILE 26 HN ILE 26 2.718 7.084 -0.594 199 HA ILE 26 HA ILE 26 1.105 4.934 0.210 200 HB ILE 26 HB ILE 26 3.759 5.620 1.471 201 HG12 ILE 26 HG12 ILE 26 3.267 4.146 -1.134 202 HG13 ILE 26 HG11 ILE 26 3.929 5.773 -1.004 203 HG21 ILE 26 HG21 ILE 26 2.348 3.740 2.382 204 HG22 ILE 26 HG22 ILE 26 3.965 3.279 1.846 205 HG23 ILE 26 HG23 ILE 26 2.566 2.930 0.830 206 HD11 ILE 26 HD11 ILE 26 5.694 4.187 -1.395 207 HD12 ILE 26 HD12 ILE 26 5.195 3.239 0.006 208 HD13 ILE 26 HD13 ILE 26 5.856 4.859 0.229 209 H GLY 27 HN GLY 27 2.349 7.719 2.022 210 HA2 GLY 27 HA2 GLY 27 1.391 6.925 4.561 211 HA3 GLY 27 HA1 GLY 27 1.764 8.573 4.078 212 H ALA 28 HN ALA 28 -0.075 8.916 2.024 213 HA ALA 28 HA ALA 28 -2.408 9.622 3.445 214 HB1 ALA 28 HB1 ALA 28 -1.589 10.718 1.350 215 HB2 ALA 28 HB2 ALA 28 -3.306 10.315 1.335 216 HB3 ALA 28 HB3 ALA 28 -2.157 9.306 0.458 217 H MET 29 HN MET 29 -1.648 6.945 1.270 218 HA MET 29 HA MET 29 -4.209 5.769 1.212 219 HB2 MET 29 HB2 MET 29 -2.529 5.203 -0.436 220 HB3 MET 29 HB1 MET 29 -1.454 4.593 0.811 221 HG2 MET 29 HG2 MET 29 -3.459 2.965 1.287 222 HG3 MET 29 HG1 MET 29 -3.877 3.356 -0.380 223 HE1 MET 29 HE1 MET 29 -0.248 2.891 1.339 224 HE2 MET 29 HE2 MET 29 -0.098 1.158 1.053 225 HE3 MET 29 HE3 MET 29 -1.401 1.773 2.068 226 H LEU 30 HN LEU 30 -1.389 5.223 3.272 227 HA LEU 30 HA LEU 30 -2.316 3.044 4.743 228 HB2 LEU 30 HB2 LEU 30 -0.007 3.905 4.775 229 HB3 LEU 30 HB1 LEU 30 -0.551 5.311 5.669 230 HG LEU 30 HG LEU 30 -1.284 3.740 7.501 231 HD11 LEU 30 HD11 LEU 30 -1.466 1.652 6.478 232 HD12 LEU 30 HD12 LEU 30 0.014 1.530 7.431 233 HD13 LEU 30 HD13 LEU 30 0.105 1.797 5.691 234 HD21 LEU 30 HD21 LEU 30 1.654 3.488 6.980 235 HD22 LEU 30 HD22 LEU 30 0.812 3.759 8.505 236 HD23 LEU 30 HD23 LEU 30 0.923 5.056 7.319 237 H SER 31 HN SER 31 -2.669 6.515 5.373 238 HA SER 31 HA SER 31 -4.018 6.306 7.820 239 HB2 SER 31 HB2 SER 31 -4.401 8.513 5.792 240 HB3 SER 31 HB1 SER 31 -4.547 8.619 7.544 241 HG SER 31 HG SER 31 -2.252 8.506 5.939 242 H LEU 32 HN LEU 32 -5.157 6.242 4.508 243 HA LEU 32 HA LEU 32 -7.920 6.459 5.011 244 HB2 LEU 32 HB2 LEU 32 -6.674 6.717 2.802 245 HB3 LEU 32 HB1 LEU 32 -6.642 4.969 2.719 246 HG LEU 32 HG LEU 32 -8.469 6.298 1.432 247 HD11 LEU 32 HD11 LEU 32 -8.389 3.883 1.522 248 HD12 LEU 32 HD12 LEU 32 -10.051 4.441 1.707 249 HD13 LEU 32 HD13 LEU 32 -9.144 3.889 3.115 250 HD21 LEU 32 HD21 LEU 32 -10.511 6.701 2.646 251 HD22 LEU 32 HD22 LEU 32 -9.202 7.619 3.393 252 HD23 LEU 32 HD23 LEU 32 -9.778 6.130 4.143 253 H LEU 33 HN LEU 33 -5.763 3.680 4.705 254 HA LEU 33 HA LEU 33 -7.719 1.672 4.873 255 HB2 LEU 33 HB2 LEU 33 -4.832 1.573 5.744 256 HB3 LEU 33 HB1 LEU 33 -5.864 0.180 5.496 257 HG LEU 33 HG LEU 33 -4.968 2.119 3.359 258 HD11 LEU 33 HD11 LEU 33 -3.678 0.248 2.507 259 HD12 LEU 33 HD12 LEU 33 -4.236 -0.768 3.835 260 HD13 LEU 33 HD13 LEU 33 -3.197 0.619 4.162 261 HD21 LEU 33 HD21 LEU 33 -6.695 -0.349 3.205 262 HD22 LEU 33 HD22 LEU 33 -6.031 0.505 1.815 263 HD23 LEU 33 HD23 LEU 33 -7.189 1.311 2.871 264 H GLN 34 HN GLN 34 -5.803 3.265 7.385 265 HA GLN 34 HA GLN 34 -6.781 1.645 9.504 266 HB2 GLN 34 HB2 GLN 34 -4.646 3.085 9.408 267 HB3 GLN 34 HB1 GLN 34 -5.696 4.418 9.871 268 HG2 GLN 34 HG2 GLN 34 -6.353 3.212 11.890 269 HG3 GLN 34 HG1 GLN 34 -5.310 1.870 11.427 270 HE21 GLN 34 HE21 GLN 34 -5.265 3.589 13.803 271 HE22 GLN 34 HE22 GLN 34 -3.684 4.284 13.853 272 H LYS 35 HN LYS 35 -7.726 4.841 8.264 273 HA LYS 35 HA LYS 35 -9.592 5.360 10.323 274 HB2 LYS 35 HB2 LYS 35 -10.111 7.300 9.217 275 HB3 LYS 35 HB1 LYS 35 -8.527 6.965 8.543 276 HG2 LYS 35 HG2 LYS 35 -9.373 6.996 6.503 277 HG3 LYS 35 HG1 LYS 35 -10.482 5.687 6.917 278 HD2 LYS 35 HD2 LYS 35 -12.068 7.334 7.821 279 HD3 LYS 35 HD1 LYS 35 -10.960 8.636 7.379 280 HE2 LYS 35 HE2 LYS 35 -11.140 7.933 5.013 281 HE3 LYS 35 HE1 LYS 35 -12.320 6.712 5.489 282 HZ1 LYS 35 HZ1 LYS 35 -13.800 8.436 6.231 283 HZ2 LYS 35 HZ2 LYS 35 -13.345 8.756 4.633 284 HZ3 LYS 35 HZ3 LYS 35 -12.654 9.633 5.904 285 H GLU 36 HN GLU 36 -9.840 3.613 7.300 286 HA GLU 36 HA GLU 36 -12.717 3.468 7.412 287 HB2 GLU 36 HB2 GLU 36 -10.647 2.230 5.625 288 HB3 GLU 36 HB1 GLU 36 -12.335 1.741 5.547 289 HG2 GLU 36 HG2 GLU 36 -11.297 4.537 5.151 290 HG3 GLU 36 HG1 GLU 36 -11.796 3.433 3.870 291 H GLY 37 HN GLY 37 -10.287 1.943 9.079 292 HA2 GLY 37 HA2 GLY 37 -10.478 0.288 10.682 293 HA3 GLY 37 HA1 GLY 37 -12.132 0.017 10.158 294 H LEU 38 HN LEU 38 -9.871 -0.057 7.624 295 HA LEU 38 HA LEU 38 -10.391 -2.807 7.093 296 HB2 LEU 38 HB2 LEU 38 -8.425 -0.860 5.891 297 HB3 LEU 38 HB1 LEU 38 -8.641 -2.498 5.306 298 HG LEU 38 HG LEU 38 -10.925 -0.543 5.429 299 HD11 LEU 38 HD11 LEU 38 -9.174 -1.089 3.041 300 HD12 LEU 38 HD12 LEU 38 -9.047 0.350 4.052 301 HD13 LEU 38 HD13 LEU 38 -10.527 0.038 3.150 302 HD21 LEU 38 HD21 LEU 38 -11.868 -2.038 3.724 303 HD22 LEU 38 HD22 LEU 38 -11.529 -2.889 5.230 304 HD23 LEU 38 HD23 LEU 38 -10.443 -3.071 3.854 305 H LEU 39 HN LEU 39 -7.681 -0.997 8.396 306 HA LEU 39 HA LEU 39 -6.577 -3.483 9.485 307 HB2 LEU 39 HB2 LEU 39 -4.993 -1.337 8.065 308 HB3 LEU 39 HB1 LEU 39 -4.277 -2.624 9.014 309 HG LEU 39 HG LEU 39 -5.904 -3.003 6.496 310 HD11 LEU 39 HD11 LEU 39 -2.943 -3.179 7.024 311 HD12 LEU 39 HD12 LEU 39 -3.772 -2.012 5.992 312 HD13 LEU 39 HD13 LEU 39 -3.733 -3.718 5.544 313 HD21 LEU 39 HD21 LEU 39 -5.082 -5.337 6.646 314 HD22 LEU 39 HD22 LEU 39 -6.189 -4.895 7.946 315 HD23 LEU 39 HD23 LEU 39 -4.454 -4.978 8.253 316 H MET 40 HN MET 40 -5.321 -3.136 11.425 317 HA MET 40 HA MET 40 -6.180 -0.712 12.823 318 HB2 MET 40 HB2 MET 40 -6.721 -2.877 13.864 319 HB3 MET 40 HB1 MET 40 -5.010 -3.280 13.914 320 HG2 MET 40 HG2 MET 40 -4.711 -1.206 15.330 321 HG3 MET 40 HG1 MET 40 -6.467 -1.162 15.461 322 HE1 MET 40 HE1 MET 40 -3.171 -2.966 16.366 323 HE2 MET 40 HE2 MET 40 -3.927 -4.263 15.443 324 HE3 MET 40 HE3 MET 40 -3.710 -4.431 17.186 325 H SER 41 HN SER 41 -3.284 -2.630 12.156 326 HA SER 41 HA SER 41 -1.656 -0.356 13.070 327 HB2 SER 41 HB2 SER 41 -0.072 -2.712 12.771 328 HB3 SER 41 HB1 SER 41 -0.464 -1.842 14.255 329 HG SER 41 HG SER 41 -2.175 -3.774 13.042 330 HA PRO 42 HA PRO 42 -0.252 0.280 8.948 331 HB2 PRO 42 HB2 PRO 42 2.304 1.138 9.440 332 HB3 PRO 42 HB1 PRO 42 0.864 2.149 9.662 333 HG2 PRO 42 HG2 PRO 42 2.449 0.657 11.691 334 HG3 PRO 42 HG1 PRO 42 1.729 2.276 11.782 335 HD2 PRO 42 HD2 PRO 42 0.583 0.137 12.947 336 HD3 PRO 42 HD1 PRO 42 -0.372 1.468 12.263 337 H SER 43 HN SER 43 1.434 -1.861 11.089 338 HA SER 43 HA SER 43 3.089 -2.946 8.959 339 HB2 SER 43 HB2 SER 43 3.548 -4.542 11.117 340 HB3 SER 43 HB1 SER 43 4.415 -3.040 10.798 341 HG SER 43 HG SER 43 2.450 -3.610 12.684 342 H ASP 44 HN ASP 44 -0.033 -3.273 9.522 343 HA ASP 44 HA ASP 44 -0.276 -6.141 9.708 344 HB2 ASP 44 HB2 ASP 44 -2.256 -3.917 9.253 345 HB3 ASP 44 HB1 ASP 44 -2.728 -5.609 9.134 346 H LEU 45 HN LEU 45 0.760 -4.239 7.284 347 HA LEU 45 HA LEU 45 -0.709 -5.329 5.074 348 HB2 LEU 45 HB2 LEU 45 1.686 -3.564 5.366 349 HB3 LEU 45 HB1 LEU 45 1.389 -4.333 3.823 350 HG LEU 45 HG LEU 45 0.472 -2.161 3.681 351 HD11 LEU 45 HD11 LEU 45 -0.929 -4.039 2.817 352 HD12 LEU 45 HD12 LEU 45 -1.811 -2.558 3.182 353 HD13 LEU 45 HD13 LEU 45 -1.886 -3.923 4.293 354 HD21 LEU 45 HD21 LEU 45 -1.176 -1.295 5.291 355 HD22 LEU 45 HD22 LEU 45 0.401 -1.587 6.023 356 HD23 LEU 45 HD23 LEU 45 -0.921 -2.722 6.294 357 H TYR 46 HN TYR 46 1.767 -6.490 7.044 358 HA TYR 46 HA TYR 46 3.258 -7.993 5.156 359 HB2 TYR 46 HB2 TYR 46 2.907 -8.295 8.139 360 HB3 TYR 46 HB1 TYR 46 3.988 -9.306 7.190 361 HD1 TYR 46 HD1 TYR 46 5.215 -7.360 5.352 362 HD2 TYR 46 HD2 TYR 46 4.281 -6.998 9.486 363 HE1 TYR 46 HE1 TYR 46 7.013 -5.705 5.606 364 HE2 TYR 46 HE2 TYR 46 6.075 -5.345 9.749 365 HH TYR 46 HH TYR 46 8.519 -4.960 7.824 366 H SER 47 HN SER 47 0.243 -8.538 6.781 367 HA SER 47 HA SER 47 0.217 -11.383 6.308 368 HB2 SER 47 HB2 SER 47 -2.208 -9.758 7.020 369 HB3 SER 47 HB1 SER 47 -1.785 -11.398 7.512 370 HG SER 47 HG SER 47 0.002 -10.379 8.691 371 HA PRO 48 HA PRO 48 -1.156 -10.774 2.084 372 HB2 PRO 48 HB2 PRO 48 -1.346 -13.430 1.470 373 HB3 PRO 48 HB1 PRO 48 0.189 -12.544 1.503 374 HG2 PRO 48 HG2 PRO 48 -0.979 -14.359 3.542 375 HG3 PRO 48 HG1 PRO 48 0.704 -14.196 3.006 376 HD2 PRO 48 HD2 PRO 48 -0.218 -13.109 5.313 377 HD3 PRO 48 HD1 PRO 48 1.105 -12.398 4.369 378 H GLY 49 HN GLY 49 -2.783 -12.642 4.548 379 HA2 GLY 49 HA2 GLY 49 -5.136 -13.259 3.101 380 HA3 GLY 49 HA1 GLY 49 -4.986 -13.217 4.849 381 H SER 50 HN SER 50 -4.074 -10.355 4.687 382 HA SER 50 HA SER 50 -6.737 -9.207 4.748 383 HB2 SER 50 HB2 SER 50 -4.259 -7.629 5.317 384 HB3 SER 50 HB1 SER 50 -5.846 -7.533 6.079 385 HG SER 50 HG SER 50 -3.846 -8.678 7.123 386 H TRP 51 HN TRP 51 -4.555 -9.651 2.343 387 HA TRP 51 HA TRP 51 -4.541 -7.038 1.171 388 HB2 TRP 51 HB2 TRP 51 -3.838 -9.749 0.045 389 HB3 TRP 51 HB1 TRP 51 -3.642 -8.242 -0.840 390 HD1 TRP 51 HD1 TRP 51 -2.646 -7.058 2.326 391 HE1 TRP 51 HE1 TRP 51 -0.118 -7.322 2.773 392 HE3 TRP 51 HE3 TRP 51 -1.526 -10.473 -1.312 393 HZ2 TRP 51 HZ2 TRP 51 2.050 -8.777 1.716 394 HZ3 TRP 51 HZ3 TRP 51 0.800 -11.245 -1.525 395 HH2 TRP 51 HH2 TRP 51 2.549 -10.411 -0.041 396 H ASP 52 HN ASP 52 -6.464 -9.959 0.760 397 HA ASP 52 HA ASP 52 -7.775 -9.217 -1.598 398 HB2 ASP 52 HB2 ASP 52 -7.789 -11.503 -0.737 399 HB3 ASP 52 HB1 ASP 52 -8.803 -10.994 0.610 400 HA PRO 53 HA PRO 53 -11.496 -7.630 1.217 401 HB2 PRO 53 HB2 PRO 53 -10.492 -6.500 3.574 402 HB3 PRO 53 HB1 PRO 53 -11.368 -8.036 3.455 403 HG2 PRO 53 HG2 PRO 53 -8.452 -7.540 3.628 404 HG3 PRO 53 HG1 PRO 53 -9.425 -8.851 4.323 405 HD2 PRO 53 HD2 PRO 53 -7.905 -9.257 2.164 406 HD3 PRO 53 HD1 PRO 53 -9.492 -10.034 2.336 407 H ILE 54 HN ILE 54 -8.280 -6.154 1.607 408 HA ILE 54 HA ILE 54 -9.161 -3.470 1.448 409 HB ILE 54 HB ILE 54 -6.451 -4.644 0.787 410 HG12 ILE 54 HG12 ILE 54 -7.428 -3.247 3.289 411 HG13 ILE 54 HG11 ILE 54 -7.245 -4.991 3.119 412 HG21 ILE 54 HG21 ILE 54 -5.597 -2.360 1.078 413 HG22 ILE 54 HG22 ILE 54 -7.250 -1.771 1.244 414 HG23 ILE 54 HG23 ILE 54 -6.719 -2.484 -0.277 415 HD11 ILE 54 HD11 ILE 54 -5.366 -4.029 4.301 416 HD12 ILE 54 HD12 ILE 54 -5.035 -2.957 2.940 417 HD13 ILE 54 HD13 ILE 54 -4.852 -4.701 2.754 418 H THR 55 HN THR 55 -7.794 -5.652 -1.005 419 HA THR 55 HA THR 55 -7.894 -3.878 -3.167 420 HB THR 55 HB THR 55 -8.281 -6.870 -3.353 421 HG1 THR 55 HG1 THR 55 -6.427 -6.763 -2.219 422 HG21 THR 55 HG21 THR 55 -7.124 -6.627 -5.485 423 HG22 THR 55 HG22 THR 55 -6.972 -4.889 -5.221 424 HG23 THR 55 HG23 THR 55 -8.565 -5.612 -5.443 425 H ALA 56 HN ALA 56 -10.283 -6.188 -1.952 426 HA ALA 56 HA ALA 56 -12.191 -5.840 -3.984 427 HB1 ALA 56 HB1 ALA 56 -12.658 -6.611 -1.108 428 HB2 ALA 56 HB2 ALA 56 -12.200 -7.718 -2.400 429 HB3 ALA 56 HB3 ALA 56 -13.757 -6.891 -2.459 430 H ALA 57 HN ALA 57 -11.986 -4.380 -0.744 431 HA ALA 57 HA ALA 57 -14.251 -2.743 -0.960 432 HB1 ALA 57 HB1 ALA 57 -13.122 -3.250 1.159 433 HB2 ALA 57 HB2 ALA 57 -13.348 -1.516 0.927 434 HB3 ALA 57 HB3 ALA 57 -11.764 -2.244 0.661 435 H LEU 58 HN LEU 58 -10.851 -2.082 -1.721 436 HA LEU 58 HA LEU 58 -11.183 0.644 -2.344 437 HB2 LEU 58 HB2 LEU 58 -9.096 -1.398 -2.855 438 HB3 LEU 58 HB1 LEU 58 -9.058 0.055 -3.835 439 HG LEU 58 HG LEU 58 -8.968 -0.015 -0.821 440 HD11 LEU 58 HD11 LEU 58 -6.658 0.790 -1.151 441 HD12 LEU 58 HD12 LEU 58 -6.835 0.499 -2.880 442 HD13 LEU 58 HD13 LEU 58 -6.917 -0.849 -1.745 443 HD21 LEU 58 HD21 LEU 58 -8.326 2.400 -1.147 444 HD22 LEU 58 HD22 LEU 58 -10.013 2.006 -1.460 445 HD23 LEU 58 HD23 LEU 58 -8.899 2.241 -2.808 446 H SER 59 HN SER 59 -11.233 -2.237 -4.428 447 HA SER 59 HA SER 59 -11.589 -0.778 -6.829 448 HB2 SER 59 HB2 SER 59 -12.432 -3.624 -6.239 449 HB3 SER 59 HB1 SER 59 -12.186 -2.915 -7.834 450 HG SER 59 HG SER 59 -10.313 -3.678 -5.901 451 H GLN 60 HN GLN 60 -13.794 -2.054 -4.424 452 HA GLN 60 HA GLN 60 -16.196 -1.721 -5.852 453 HB2 GLN 60 HB2 GLN 60 -15.759 -2.978 -3.643 454 HB3 GLN 60 HB1 GLN 60 -15.960 -1.412 -2.868 455 HG2 GLN 60 HG2 GLN 60 -18.200 -1.234 -3.869 456 HG3 GLN 60 HG1 GLN 60 -17.997 -2.844 -4.558 457 HE21 GLN 60 HE21 GLN 60 -16.996 -1.708 -1.366 458 HE22 GLN 60 HE22 GLN 60 -18.020 -2.781 -0.477 459 H ARG 61 HN ARG 61 -14.652 0.391 -3.412 460 HA ARG 61 HA ARG 61 -16.553 2.469 -3.715 461 HB2 ARG 61 HB2 ARG 61 -14.908 3.884 -2.506 462 HB3 ARG 61 HB1 ARG 61 -15.261 2.365 -1.699 463 HG2 ARG 61 HG2 ARG 61 -13.162 1.458 -2.777 464 HG3 ARG 61 HG1 ARG 61 -12.790 3.126 -3.214 465 HD2 ARG 61 HD2 ARG 61 -13.537 2.618 -0.404 466 HD3 ARG 61 HD1 ARG 61 -11.979 1.995 -0.933 467 HE ARG 61 HE ARG 61 -11.675 4.426 -1.759 468 HH11 ARG 61 HH11 ARG 61 -13.040 4.905 1.994 469 HH12 ARG 61 HH12 ARG 61 -13.396 3.448 1.131 470 HH21 ARG 61 HH21 ARG 61 -11.150 6.331 -0.605 471 HH22 ARG 61 HH22 ARG 61 -11.770 6.545 1.002 472 H ALA 62 HN ALA 62 -13.552 1.757 -5.393 473 HA ALA 62 HA ALA 62 -13.256 4.272 -6.641 474 HB1 ALA 62 HB1 ALA 62 -12.307 1.548 -7.505 475 HB2 ALA 62 HB2 ALA 62 -11.411 2.727 -6.548 476 HB3 ALA 62 HB3 ALA 62 -11.798 3.071 -8.236 477 H MET 63 HN MET 63 -14.976 1.330 -7.582 478 HA MET 63 HA MET 63 -15.716 2.393 -10.153 479 HB2 MET 63 HB2 MET 63 -16.772 0.337 -10.562 480 HB3 MET 63 HB1 MET 63 -15.386 -0.075 -9.566 481 HG2 MET 63 HG2 MET 63 -16.777 -0.325 -7.634 482 HG3 MET 63 HG1 MET 63 -18.178 0.289 -8.508 483 HE1 MET 63 HE1 MET 63 -16.082 -2.846 -7.584 484 HE2 MET 63 HE2 MET 63 -15.333 -2.367 -9.107 485 HE3 MET 63 HE3 MET 63 -16.254 -3.868 -9.011 486 H ILE 64 HN ILE 64 -16.925 2.758 -7.011 487 HA ILE 64 HA ILE 64 -19.629 3.369 -7.965 488 HB ILE 64 HB ILE 64 -18.521 3.046 -5.174 489 HG12 ILE 64 HG12 ILE 64 -20.646 1.469 -6.636 490 HG13 ILE 64 HG11 ILE 64 -18.955 0.988 -6.547 491 HG21 ILE 64 HG21 ILE 64 -20.780 3.395 -4.342 492 HG22 ILE 64 HG22 ILE 64 -21.347 3.726 -5.979 493 HG23 ILE 64 HG23 ILE 64 -20.209 4.825 -5.202 494 HD11 ILE 64 HD11 ILE 64 -20.840 1.301 -4.225 495 HD12 ILE 64 HD12 ILE 64 -19.138 0.855 -4.109 496 HD13 ILE 64 HD13 ILE 64 -20.278 -0.216 -4.925 497 H LEU 65 HN LEU 65 -17.078 4.840 -5.944 498 HA LEU 65 HA LEU 65 -18.372 7.394 -5.924 499 HB2 LEU 65 HB2 LEU 65 -16.269 6.135 -4.523 500 HB3 LEU 65 HB1 LEU 65 -15.593 7.571 -5.265 501 HG LEU 65 HG LEU 65 -17.285 8.956 -4.170 502 HD11 LEU 65 HD11 LEU 65 -18.218 6.345 -2.991 503 HD12 LEU 65 HD12 LEU 65 -19.130 7.420 -4.051 504 HD13 LEU 65 HD13 LEU 65 -18.714 7.934 -2.417 505 HD21 LEU 65 HD21 LEU 65 -15.205 8.640 -3.008 506 HD22 LEU 65 HD22 LEU 65 -15.768 7.109 -2.336 507 HD23 LEU 65 HD23 LEU 65 -16.523 8.622 -1.838 508 H GLY 66 HN GLY 66 -15.671 5.963 -7.705 509 HA2 GLY 66 HA2 GLY 66 -15.387 6.687 -10.019 510 HA3 GLY 66 HA1 GLY 66 -15.770 8.317 -9.483 511 H LYS 67 HN LYS 67 -14.043 7.732 -7.028 512 HA LYS 67 HA LYS 67 -11.558 8.572 -8.300 513 HB2 LYS 67 HB2 LYS 67 -10.841 9.068 -5.926 514 HB3 LYS 67 HB1 LYS 67 -12.187 10.017 -6.534 515 HG2 LYS 67 HG2 LYS 67 -13.757 8.719 -5.274 516 HG3 LYS 67 HG1 LYS 67 -12.501 7.580 -4.794 517 HD2 LYS 67 HD2 LYS 67 -12.678 8.920 -2.913 518 HD3 LYS 67 HD1 LYS 67 -11.351 9.685 -3.782 519 HE2 LYS 67 HE2 LYS 67 -14.228 10.580 -3.954 520 HE3 LYS 67 HE1 LYS 67 -13.041 11.276 -2.857 521 HZ1 LYS 67 HZ1 LYS 67 -13.016 12.692 -4.672 522 HZ2 LYS 67 HZ2 LYS 67 -13.162 11.444 -5.797 523 HZ3 LYS 67 HZ3 LYS 67 -11.694 11.685 -4.989 524 H SER 68 HN SER 68 -9.921 7.255 -8.616 525 HA SER 68 HA SER 68 -9.797 4.762 -7.058 526 HB2 SER 68 HB2 SER 68 -8.329 4.214 -9.282 527 HB3 SER 68 HB1 SER 68 -10.055 3.880 -9.145 528 HG SER 68 HG SER 68 -8.879 5.452 -10.886 529 H GLY 69 HN GLY 69 -8.585 7.492 -6.586 530 HA2 GLY 69 HA2 GLY 69 -5.843 7.514 -7.126 531 HA3 GLY 69 HA1 GLY 69 -6.612 8.357 -5.792 532 H GLU 70 HN GLU 70 -7.578 6.187 -4.331 533 HA GLU 70 HA GLU 70 -5.213 5.393 -2.955 534 HB2 GLU 70 HB2 GLU 70 -8.018 4.318 -2.637 535 HB3 GLU 70 HB1 GLU 70 -6.708 4.172 -1.474 536 HG2 GLU 70 HG2 GLU 70 -7.718 5.937 -0.525 537 HG3 GLU 70 HG1 GLU 70 -6.806 6.846 -1.729 538 H LEU 71 HN LEU 71 -7.241 3.929 -5.372 539 HA LEU 71 HA LEU 71 -6.381 1.249 -5.044 540 HB2 LEU 71 HB2 LEU 71 -8.215 2.611 -6.668 541 HB3 LEU 71 HB1 LEU 71 -7.067 1.897 -7.780 542 HG LEU 71 HG LEU 71 -8.769 0.446 -5.759 543 HD11 LEU 71 HD11 LEU 71 -9.978 1.084 -7.734 544 HD12 LEU 71 HD12 LEU 71 -9.670 -0.653 -7.773 545 HD13 LEU 71 HD13 LEU 71 -8.704 0.437 -8.766 546 HD21 LEU 71 HD21 LEU 71 -6.595 -0.619 -5.820 547 HD22 LEU 71 HD22 LEU 71 -6.633 -0.644 -7.582 548 HD23 LEU 71 HD23 LEU 71 -7.780 -1.618 -6.662 549 H LYS 72 HN LYS 72 -5.273 3.925 -7.078 550 HA LYS 72 HA LYS 72 -3.377 2.532 -8.593 551 HB2 LYS 72 HB2 LYS 72 -3.276 5.401 -7.643 552 HB3 LYS 72 HB1 LYS 72 -2.286 4.725 -8.930 553 HG2 LYS 72 HG2 LYS 72 -4.611 4.118 -9.979 554 HG3 LYS 72 HG1 LYS 72 -5.189 5.409 -8.921 555 HD2 LYS 72 HD2 LYS 72 -2.979 5.657 -10.964 556 HD3 LYS 72 HD1 LYS 72 -4.631 6.238 -11.166 557 HE2 LYS 72 HE2 LYS 72 -4.288 8.049 -9.864 558 HE3 LYS 72 HE1 LYS 72 -3.274 7.163 -8.726 559 HZ1 LYS 72 HZ1 LYS 72 -2.393 8.111 -11.401 560 HZ2 LYS 72 HZ2 LYS 72 -1.433 7.340 -10.244 561 HZ3 LYS 72 HZ3 LYS 72 -2.045 8.883 -9.938 562 H THR 73 HN THR 73 -3.134 4.127 -5.468 563 HA THR 73 HA THR 73 -0.364 3.682 -5.089 564 HB THR 73 HB THR 73 -2.389 4.040 -2.881 565 HG1 THR 73 HG1 THR 73 -1.362 5.923 -4.753 566 HG21 THR 73 HG21 THR 73 0.498 4.861 -3.227 567 HG22 THR 73 HG22 THR 73 -0.136 3.647 -2.116 568 HG23 THR 73 HG23 THR 73 -0.523 5.352 -1.877 569 H TRP 74 HN TRP 74 -3.268 1.900 -4.156 570 HA TRP 74 HA TRP 74 -2.000 -0.030 -2.541 571 HB2 TRP 74 HB2 TRP 74 -4.385 0.287 -2.394 572 HB3 TRP 74 HB1 TRP 74 -4.593 -0.136 -4.088 573 HD1 TRP 74 HD1 TRP 74 -5.605 -2.454 -4.327 574 HE1 TRP 74 HE1 TRP 74 -5.447 -4.701 -3.070 575 HE3 TRP 74 HE3 TRP 74 -2.334 -1.087 -0.642 576 HZ2 TRP 74 HZ2 TRP 74 -4.101 -5.749 -0.829 577 HZ3 TRP 74 HZ3 TRP 74 -1.655 -2.776 1.017 578 HH2 TRP 74 HH2 TRP 74 -2.523 -5.054 0.927 579 H GLY 75 HN GLY 75 -2.824 -0.001 -5.985 580 HA2 GLY 75 HA2 GLY 75 -2.147 -2.626 -6.626 581 HA3 GLY 75 HA1 GLY 75 -2.046 -1.266 -7.734 582 H LEU 76 HN LEU 76 -0.072 0.193 -6.267 583 HA LEU 76 HA LEU 76 2.255 -1.099 -7.280 584 HB2 LEU 76 HB2 LEU 76 1.795 1.435 -5.731 585 HB3 LEU 76 HB1 LEU 76 3.413 0.871 -6.105 586 HG LEU 76 HG LEU 76 1.336 1.338 -8.238 587 HD11 LEU 76 HD11 LEU 76 1.720 3.429 -7.018 588 HD12 LEU 76 HD12 LEU 76 2.371 3.490 -8.655 589 HD13 LEU 76 HD13 LEU 76 3.455 3.256 -7.284 590 HD21 LEU 76 HD21 LEU 76 4.330 1.021 -8.268 591 HD22 LEU 76 HD22 LEU 76 3.371 1.516 -9.659 592 HD23 LEU 76 HD23 LEU 76 3.129 -0.080 -8.948 593 H VAL 77 HN VAL 77 0.736 -0.917 -4.152 594 HA VAL 77 HA VAL 77 3.039 -1.862 -2.696 595 HB VAL 77 HB VAL 77 0.144 -1.862 -1.822 596 HG11 VAL 77 HG11 VAL 77 1.688 -3.357 -0.567 597 HG12 VAL 77 HG12 VAL 77 0.973 -2.078 0.413 598 HG13 VAL 77 HG13 VAL 77 2.642 -1.940 -0.140 599 HG21 VAL 77 HG21 VAL 77 2.293 0.212 -1.451 600 HG22 VAL 77 HG22 VAL 77 0.760 0.197 -0.578 601 HG23 VAL 77 HG23 VAL 77 0.776 0.388 -2.332 602 H LEU 78 HN LEU 78 -0.069 -3.213 -3.714 603 HA LEU 78 HA LEU 78 0.317 -5.822 -2.810 604 HB2 LEU 78 HB2 LEU 78 -1.830 -4.854 -3.579 605 HB3 LEU 78 HB1 LEU 78 -1.239 -4.912 -5.228 606 HG LEU 78 HG LEU 78 -1.083 -7.389 -5.044 607 HD11 LEU 78 HD11 LEU 78 -0.836 -7.629 -2.658 608 HD12 LEU 78 HD12 LEU 78 -2.287 -8.478 -3.183 609 HD13 LEU 78 HD13 LEU 78 -2.423 -6.910 -2.386 610 HD21 LEU 78 HD21 LEU 78 -3.019 -6.382 -6.080 611 HD22 LEU 78 HD22 LEU 78 -3.776 -6.146 -4.505 612 HD23 LEU 78 HD23 LEU 78 -3.519 -7.776 -5.122 613 H GLY 79 HN GLY 79 1.115 -4.340 -5.925 614 HA2 GLY 79 HA2 GLY 79 2.017 -6.689 -7.197 615 HA3 GLY 79 HA1 GLY 79 2.447 -5.048 -7.645 616 H ALA 80 HN ALA 80 3.604 -4.515 -4.962 617 HA ALA 80 HA ALA 80 6.225 -5.618 -5.538 618 HB1 ALA 80 HB1 ALA 80 5.365 -3.643 -3.426 619 HB2 ALA 80 HB2 ALA 80 6.023 -3.246 -5.012 620 HB3 ALA 80 HB3 ALA 80 7.030 -4.074 -3.824 621 H LEU 81 HN LEU 81 3.944 -5.589 -2.810 622 HA LEU 81 HA LEU 81 5.492 -7.215 -1.115 623 HB2 LEU 81 HB2 LEU 81 2.709 -6.248 -1.186 624 HB3 LEU 81 HB1 LEU 81 2.972 -7.721 -0.271 625 HG LEU 81 HG LEU 81 4.469 -5.140 0.196 626 HD11 LEU 81 HD11 LEU 81 2.140 -6.334 1.692 627 HD12 LEU 81 HD12 LEU 81 2.131 -4.843 0.753 628 HD13 LEU 81 HD13 LEU 81 3.095 -4.953 2.226 629 HD21 LEU 81 HD21 LEU 81 4.358 -7.743 1.713 630 HD22 LEU 81 HD22 LEU 81 5.093 -6.262 2.323 631 HD23 LEU 81 HD23 LEU 81 5.756 -7.046 0.891 632 H LYS 82 HN LYS 82 2.999 -8.030 -3.509 633 HA LYS 82 HA LYS 82 2.844 -10.771 -2.858 634 HB2 LYS 82 HB2 LYS 82 1.931 -9.045 -5.029 635 HB3 LYS 82 HB1 LYS 82 2.343 -10.664 -5.575 636 HG2 LYS 82 HG2 LYS 82 0.857 -11.537 -3.745 637 HG3 LYS 82 HG1 LYS 82 0.318 -9.874 -3.501 638 HD2 LYS 82 HD2 LYS 82 -0.510 -9.758 -5.753 639 HD3 LYS 82 HD1 LYS 82 0.171 -11.341 -6.132 640 HE2 LYS 82 HE2 LYS 82 -1.314 -12.292 -4.341 641 HE3 LYS 82 HE1 LYS 82 -2.095 -10.713 -4.251 642 HZ1 LYS 82 HZ1 LYS 82 -1.951 -12.450 -6.653 643 HZ2 LYS 82 HZ2 LYS 82 -2.664 -10.921 -6.602 644 HZ3 LYS 82 HZ3 LYS 82 -3.321 -12.190 -5.697 645 H ALA 83 HN ALA 83 4.835 -8.991 -5.172 646 HA ALA 83 HA ALA 83 6.132 -11.207 -6.311 647 HB1 ALA 83 HB1 ALA 83 7.133 -8.382 -5.983 648 HB2 ALA 83 HB2 ALA 83 6.184 -9.004 -7.334 649 HB3 ALA 83 HB3 ALA 83 7.819 -9.600 -7.060 650 H ALA 84 HN ALA 84 6.874 -9.232 -3.487 651 HA ALA 84 HA ALA 84 9.391 -10.406 -2.922 652 HB1 ALA 84 HB1 ALA 84 9.203 -9.321 -0.764 653 HB2 ALA 84 HB2 ALA 84 7.482 -9.045 -1.026 654 HB3 ALA 84 HB3 ALA 84 8.670 -8.222 -2.036 655 H ARG 85 HN ARG 85 6.138 -11.423 -2.394 656 HA ARG 85 HA ARG 85 6.932 -13.407 -0.410 657 HB2 ARG 85 HB2 ARG 85 4.333 -12.298 -1.340 658 HB3 ARG 85 HB1 ARG 85 4.339 -13.940 -0.713 659 HG2 ARG 85 HG2 ARG 85 5.623 -12.887 1.288 660 HG3 ARG 85 HG1 ARG 85 4.936 -11.376 0.689 661 HD2 ARG 85 HD2 ARG 85 2.699 -12.276 0.882 662 HD3 ARG 85 HD1 ARG 85 3.342 -13.847 1.360 663 HE ARG 85 HE ARG 85 3.166 -11.445 3.002 664 HH11 ARG 85 HH11 ARG 85 4.620 -14.939 4.372 665 HH12 ARG 85 HH12 ARG 85 4.371 -14.722 2.669 666 HH21 ARG 85 HH21 ARG 85 3.453 -11.752 5.258 667 HH22 ARG 85 HH22 ARG 85 4.096 -13.260 5.842 668 H GLU 86 HN GLU 86 7.002 -13.208 -3.673 669 HA GLU 86 HA GLU 86 5.985 -15.853 -4.276 670 HB2 GLU 86 HB2 GLU 86 7.440 -13.813 -5.962 671 HB3 GLU 86 HB1 GLU 86 6.934 -15.381 -6.569 672 HG2 GLU 86 HG2 GLU 86 5.169 -13.154 -5.589 673 HG3 GLU 86 HG1 GLU 86 5.335 -13.746 -7.241 674 H GLU 87 HN GLU 87 9.017 -14.310 -3.612 675 HA GLU 87 HA GLU 87 10.547 -16.659 -4.359 676 HB2 GLU 87 HB2 GLU 87 11.280 -13.917 -3.383 677 HB3 GLU 87 HB1 GLU 87 12.467 -15.207 -3.458 678 HG2 GLU 87 HG2 GLU 87 11.909 -15.458 -5.882 679 HG3 GLU 87 HG1 GLU 87 10.927 -14.002 -5.735 680 H1 IHP 101 H37 IHP 0 14.536 10.027 1.199 681 H2 IHP 101 H38 IHP 0 12.895 10.537 2.993 682 H3 IHP 101 H39 IHP 0 12.811 11.799 0.875 683 H4 IHP 101 H40 IHP 0 10.753 9.676 0.094 684 H5 IHP 101 H41 IHP 0 13.507 10.377 -1.067 685 H6 IHP 101 H42 IHP 0 12.498 7.882 0.410 Start of MODEL 5 1 H1 SER 1 HT1 SER 1 3.904 4.575 9.707 2 H2 SER 1 HT2 SER 1 3.355 3.923 11.167 3 H3 SER 1 HT3 SER 1 4.926 3.599 10.638 4 HA SER 1 HA SER 1 3.895 6.272 11.341 5 HB2 SER 1 HB2 SER 1 5.840 4.641 12.960 6 HB3 SER 1 HB1 SER 1 4.941 6.076 13.445 7 HG SER 1 HG SER 1 4.210 3.768 14.054 8 H GLU 2 HN GLU 2 6.974 4.405 11.185 9 HA GLU 2 HA GLU 2 8.040 6.452 9.414 10 HB2 GLU 2 HB2 GLU 2 10.159 6.388 11.014 11 HB3 GLU 2 HB1 GLU 2 8.851 7.540 11.243 12 HG2 GLU 2 HG2 GLU 2 7.848 5.979 12.894 13 HG3 GLU 2 HG1 GLU 2 9.280 4.964 12.731 14 H ALA 3 HN ALA 3 9.485 3.842 11.402 15 HA ALA 3 HA ALA 3 11.312 2.989 9.506 16 HB1 ALA 3 HB1 ALA 3 11.337 2.359 11.898 17 HB2 ALA 3 HB2 ALA 3 11.565 0.986 10.817 18 HB3 ALA 3 HB3 ALA 3 10.003 1.250 11.586 19 H VAL 4 HN VAL 4 8.051 1.726 10.116 20 HA VAL 4 HA VAL 4 8.060 -0.360 8.280 21 HB VAL 4 HB VAL 4 5.746 1.374 9.163 22 HG11 VAL 4 HG11 VAL 4 5.250 0.221 7.047 23 HG12 VAL 4 HG12 VAL 4 4.285 -0.409 8.384 24 HG13 VAL 4 HG13 VAL 4 5.681 -1.315 7.798 25 HG21 VAL 4 HG21 VAL 4 5.276 -0.366 10.746 26 HG22 VAL 4 HG22 VAL 4 6.965 0.108 10.932 27 HG23 VAL 4 HG23 VAL 4 6.554 -1.379 10.079 28 H ILE 5 HN ILE 5 7.312 3.068 7.808 29 HA ILE 5 HA ILE 5 6.382 2.914 5.159 30 HB ILE 5 HB ILE 5 7.861 5.217 6.452 31 HG12 ILE 5 HG12 ILE 5 4.895 4.633 6.303 32 HG13 ILE 5 HG11 ILE 5 5.891 4.548 7.753 33 HG21 ILE 5 HG21 ILE 5 6.024 5.152 4.060 34 HG22 ILE 5 HG22 ILE 5 7.769 5.417 4.028 35 HG23 ILE 5 HG23 ILE 5 6.709 6.604 4.789 36 HD11 ILE 5 HD11 ILE 5 5.289 7.023 6.152 37 HD12 ILE 5 HD12 ILE 5 6.321 6.950 7.579 38 HD13 ILE 5 HD13 ILE 5 4.602 6.591 7.717 39 H LYS 6 HN LYS 6 9.622 3.542 6.457 40 HA LYS 6 HA LYS 6 10.925 3.867 3.993 41 HB2 LYS 6 HB2 LYS 6 12.074 2.847 6.598 42 HB3 LYS 6 HB1 LYS 6 13.003 3.446 5.232 43 HG2 LYS 6 HG2 LYS 6 11.134 5.012 6.993 44 HG3 LYS 6 HG1 LYS 6 12.888 5.159 6.886 45 HD2 LYS 6 HD2 LYS 6 10.919 5.800 4.683 46 HD3 LYS 6 HD1 LYS 6 11.767 6.974 5.688 47 HE2 LYS 6 HE2 LYS 6 13.917 6.056 4.821 48 HE3 LYS 6 HE1 LYS 6 12.990 5.044 3.717 49 HZ1 LYS 6 HZ1 LYS 6 13.778 7.094 2.675 50 HZ2 LYS 6 HZ2 LYS 6 12.893 8.007 3.786 51 HZ3 LYS 6 HZ3 LYS 6 12.091 7.008 2.689 52 H VAL 7 HN VAL 7 10.455 0.981 6.007 53 HA VAL 7 HA VAL 7 11.969 -0.795 4.463 54 HB VAL 7 HB VAL 7 9.489 -1.404 6.091 55 HG11 VAL 7 HG11 VAL 7 11.635 -3.261 5.059 56 HG12 VAL 7 HG12 VAL 7 9.964 -3.196 4.504 57 HG13 VAL 7 HG13 VAL 7 10.327 -3.709 6.150 58 HG21 VAL 7 HG21 VAL 7 11.251 -0.385 7.423 59 HG22 VAL 7 HG22 VAL 7 12.417 -1.559 6.805 60 HG23 VAL 7 HG23 VAL 7 11.081 -2.097 7.826 61 H ILE 8 HN ILE 8 8.521 0.034 4.262 62 HA ILE 8 HA ILE 8 7.917 -1.693 2.115 63 HB ILE 8 HB ILE 8 6.560 0.836 3.052 64 HG12 ILE 8 HG12 ILE 8 6.517 -0.979 4.684 65 HG13 ILE 8 HG11 ILE 8 4.910 -0.741 4.005 66 HG21 ILE 8 HG21 ILE 8 4.617 0.127 1.730 67 HG22 ILE 8 HG22 ILE 8 5.571 -1.192 1.055 68 HG23 ILE 8 HG23 ILE 8 6.016 0.478 0.711 69 HD11 ILE 8 HD11 ILE 8 6.846 -2.962 3.428 70 HD12 ILE 8 HD12 ILE 8 5.420 -2.650 2.438 71 HD13 ILE 8 HD13 ILE 8 5.235 -3.066 4.143 72 H SER 9 HN SER 9 8.756 1.759 2.207 73 HA SER 9 HA SER 9 8.523 2.293 -0.526 74 HB2 SER 9 HB2 SER 9 8.786 3.961 1.367 75 HB3 SER 9 HB1 SER 9 10.509 3.590 1.347 76 HG SER 9 HG SER 9 9.791 5.451 0.065 77 H SER 10 HN SER 10 11.414 1.358 1.361 78 HA SER 10 HA SER 10 13.139 1.318 -0.874 79 HB2 SER 10 HB2 SER 10 13.377 -0.084 1.795 80 HB3 SER 10 HB1 SER 10 14.682 0.075 0.621 81 HG SER 10 HG SER 10 13.498 2.469 1.180 82 H ALA 11 HN ALA 11 10.854 -0.992 0.357 83 HA ALA 11 HA ALA 11 11.988 -3.278 -0.935 84 HB1 ALA 11 HB1 ALA 11 9.208 -2.841 0.145 85 HB2 ALA 11 HB2 ALA 11 10.573 -3.543 1.015 86 HB3 ALA 11 HB3 ALA 11 9.880 -4.387 -0.369 87 H CYS 12 HN CYS 12 9.145 -1.227 -1.661 88 HA CYS 12 HA CYS 12 8.513 -2.571 -4.063 89 HB2 CYS 12 HB2 CYS 12 7.148 -0.530 -4.574 90 HB3 CYS 12 HB1 CYS 12 6.813 -1.268 -3.013 91 HG CYS 12 HG CYS 12 6.654 1.518 -2.776 92 H LYS 13 HN LYS 13 10.537 0.235 -3.376 93 HA LYS 13 HA LYS 13 10.972 0.952 -6.081 94 HB2 LYS 13 HB2 LYS 13 12.517 1.556 -3.566 95 HB3 LYS 13 HB1 LYS 13 12.951 2.214 -5.139 96 HG2 LYS 13 HG2 LYS 13 10.789 3.305 -5.307 97 HG3 LYS 13 HG1 LYS 13 10.297 2.600 -3.768 98 HD2 LYS 13 HD2 LYS 13 12.145 3.826 -2.664 99 HD3 LYS 13 HD1 LYS 13 12.525 4.585 -4.211 100 HE2 LYS 13 HE2 LYS 13 10.189 5.467 -4.262 101 HE3 LYS 13 HE1 LYS 13 9.974 4.843 -2.627 102 HZ1 LYS 13 HZ1 LYS 13 11.981 6.857 -3.461 103 HZ2 LYS 13 HZ2 LYS 13 11.786 6.271 -1.896 104 HZ3 LYS 13 HZ3 LYS 13 10.558 7.180 -2.619 105 H THR 14 HN THR 14 12.122 -1.693 -4.308 106 HA THR 14 HA THR 14 14.573 -1.943 -5.856 107 HB THR 14 HB THR 14 13.343 -3.829 -3.823 108 HG1 THR 14 HG1 THR 14 14.053 -2.057 -2.718 109 HG21 THR 14 HG21 THR 14 16.092 -3.859 -5.071 110 HG22 THR 14 HG22 THR 14 14.800 -5.015 -5.393 111 HG23 THR 14 HG23 THR 14 15.527 -4.929 -3.788 112 H TYR 15 HN TYR 15 11.288 -2.833 -6.076 113 HA TYR 15 HA TYR 15 11.901 -4.916 -8.056 114 HB2 TYR 15 HB2 TYR 15 9.603 -4.450 -6.220 115 HB3 TYR 15 HB1 TYR 15 9.257 -5.189 -7.782 116 HD1 TYR 15 HD1 TYR 15 10.280 -5.801 -4.443 117 HD2 TYR 15 HD2 TYR 15 10.723 -7.237 -8.422 118 HE1 TYR 15 HE1 TYR 15 10.991 -7.987 -3.568 119 HE2 TYR 15 HE2 TYR 15 11.439 -9.423 -7.562 120 HH TYR 15 HH TYR 15 12.535 -10.287 -5.389 121 H CYS 16 HN CYS 16 9.627 -2.207 -7.538 122 HA CYS 16 HA CYS 16 9.077 -2.076 -10.380 123 HB2 CYS 16 HB2 CYS 16 8.122 -0.201 -8.211 124 HB3 CYS 16 HB1 CYS 16 7.419 -0.429 -9.810 125 HG CYS 16 HG CYS 16 6.750 -3.184 -9.183 126 H GLY 17 HN GLY 17 11.439 -0.848 -8.379 127 HA2 GLY 17 HA2 GLY 17 13.136 0.641 -8.737 128 HA3 GLY 17 HA1 GLY 17 12.603 0.735 -10.409 129 H LYS 18 HN LYS 18 12.386 2.790 -10.925 130 HA LYS 18 HA LYS 18 11.575 4.763 -8.971 131 HB2 LYS 18 HB2 LYS 18 11.939 6.386 -10.792 132 HB3 LYS 18 HB1 LYS 18 13.329 5.338 -10.554 133 HG2 LYS 18 HG2 LYS 18 11.956 3.983 -12.468 134 HG3 LYS 18 HG1 LYS 18 11.576 5.656 -12.873 135 HD2 LYS 18 HD2 LYS 18 14.352 4.531 -12.496 136 HD3 LYS 18 HD1 LYS 18 13.577 4.849 -14.047 137 HE2 LYS 18 HE2 LYS 18 13.539 7.189 -13.645 138 HE3 LYS 18 HE1 LYS 18 14.010 6.972 -11.959 139 HZ1 LYS 18 HZ1 LYS 18 16.157 6.192 -12.676 140 HZ2 LYS 18 HZ2 LYS 18 15.851 7.712 -13.346 141 HZ3 LYS 18 HZ3 LYS 18 15.712 6.325 -14.303 142 H THR 19 HN THR 19 9.907 2.598 -10.719 143 HA THR 19 HA THR 19 7.719 4.323 -11.544 144 HB THR 19 HB THR 19 7.348 1.388 -11.576 145 HG1 THR 19 HG1 THR 19 9.412 1.245 -12.252 146 HG21 THR 19 HG21 THR 19 6.461 1.859 -13.794 147 HG22 THR 19 HG22 THR 19 7.043 3.521 -13.694 148 HG23 THR 19 HG23 THR 19 5.765 2.967 -12.614 149 H SER 20 HN SER 20 8.735 3.045 -8.710 150 HA SER 20 HA SER 20 6.274 2.085 -7.616 151 HB2 SER 20 HB2 SER 20 8.594 3.036 -5.954 152 HB3 SER 20 HB1 SER 20 7.502 1.680 -5.669 153 HG SER 20 HG SER 20 9.794 1.829 -7.227 154 HA PRO 21 HA PRO 21 4.463 5.891 -6.316 155 HB2 PRO 21 HB2 PRO 21 3.279 5.209 -3.966 156 HB3 PRO 21 HB1 PRO 21 2.676 4.656 -5.540 157 HG2 PRO 21 HG2 PRO 21 4.327 3.196 -3.542 158 HG3 PRO 21 HG1 PRO 21 2.973 2.617 -4.534 159 HD2 PRO 21 HD2 PRO 21 5.572 2.127 -5.155 160 HD3 PRO 21 HD1 PRO 21 4.288 2.263 -6.370 161 H SER 22 HN SER 22 4.790 7.681 -5.049 162 HA SER 22 HA SER 22 7.220 7.741 -3.526 163 HB2 SER 22 HB2 SER 22 5.230 9.987 -3.700 164 HB3 SER 22 HB1 SER 22 6.988 10.077 -3.596 165 HG SER 22 HG SER 22 7.029 9.125 -5.722 166 H LYS 23 HN LYS 23 7.331 8.609 -1.317 167 HA LYS 23 HA LYS 23 5.721 7.213 0.488 168 HB2 LYS 23 HB2 LYS 23 7.878 7.947 1.197 169 HB3 LYS 23 HB1 LYS 23 7.504 9.623 0.837 170 HG2 LYS 23 HG2 LYS 23 5.866 8.229 2.890 171 HG3 LYS 23 HG1 LYS 23 7.512 8.701 3.307 172 HD2 LYS 23 HD2 LYS 23 5.766 10.724 2.003 173 HD3 LYS 23 HD1 LYS 23 5.445 10.317 3.687 174 HE2 LYS 23 HE2 LYS 23 6.970 12.270 3.359 175 HE3 LYS 23 HE1 LYS 23 7.641 10.970 4.343 176 HZ1 LYS 23 HZ1 LYS 23 8.247 11.482 1.479 177 HZ2 LYS 23 HZ2 LYS 23 8.848 10.189 2.390 178 HZ3 LYS 23 HZ3 LYS 23 9.272 11.769 2.795 179 H LYS 24 HN LYS 24 5.420 10.413 -0.855 180 HA LYS 24 HA LYS 24 3.556 11.592 0.809 181 HB2 LYS 24 HB2 LYS 24 3.513 11.836 -2.198 182 HB3 LYS 24 HB1 LYS 24 3.001 13.032 -1.021 183 HG2 LYS 24 HG2 LYS 24 5.847 12.100 -1.255 184 HG3 LYS 24 HG1 LYS 24 5.199 13.454 -2.182 185 HD2 LYS 24 HD2 LYS 24 4.419 14.330 0.137 186 HD3 LYS 24 HD1 LYS 24 5.626 13.206 0.769 187 HE2 LYS 24 HE2 LYS 24 6.195 15.337 -1.286 188 HE3 LYS 24 HE1 LYS 24 6.466 15.532 0.441 189 HZ1 LYS 24 HZ1 LYS 24 7.694 13.289 -1.031 190 HZ2 LYS 24 HZ2 LYS 24 8.181 14.001 0.422 191 HZ3 LYS 24 HZ3 LYS 24 8.410 14.819 -1.035 192 H GLU 25 HN GLU 25 3.034 9.283 -1.818 193 HA GLU 25 HA GLU 25 0.161 9.405 -1.542 194 HB2 GLU 25 HB2 GLU 25 1.892 7.544 -3.183 195 HB3 GLU 25 HB1 GLU 25 0.143 7.689 -3.307 196 HG2 GLU 25 HG2 GLU 25 0.414 10.039 -4.000 197 HG3 GLU 25 HG1 GLU 25 2.162 9.829 -3.937 198 H ILE 26 HN ILE 26 2.790 7.266 -0.616 199 HA ILE 26 HA ILE 26 1.271 5.035 0.161 200 HB ILE 26 HB ILE 26 3.916 5.993 1.268 201 HG12 ILE 26 HG12 ILE 26 3.325 3.884 -0.821 202 HG13 ILE 26 HG11 ILE 26 3.832 5.528 -1.190 203 HG21 ILE 26 HG21 ILE 26 2.797 4.419 2.789 204 HG22 ILE 26 HG22 ILE 26 4.237 3.710 2.057 205 HG23 ILE 26 HG23 ILE 26 2.638 3.267 1.461 206 HD11 ILE 26 HD11 ILE 26 5.663 3.888 -1.303 207 HD12 ILE 26 HD12 ILE 26 5.446 3.564 0.417 208 HD13 ILE 26 HD13 ILE 26 5.952 5.164 -0.122 209 H GLY 27 HN GLY 27 2.422 7.813 2.069 210 HA2 GLY 27 HA2 GLY 27 1.403 7.006 4.554 211 HA3 GLY 27 HA1 GLY 27 1.718 8.668 4.075 212 H ALA 28 HN ALA 28 -0.080 9.023 2.042 213 HA ALA 28 HA ALA 28 -2.452 9.606 3.419 214 HB1 ALA 28 HB1 ALA 28 -1.690 10.833 1.429 215 HB2 ALA 28 HB2 ALA 28 -3.348 10.260 1.249 216 HB3 ALA 28 HB3 ALA 28 -2.030 9.417 0.434 217 H MET 29 HN MET 29 -1.603 6.983 1.223 218 HA MET 29 HA MET 29 -4.170 5.815 1.056 219 HB2 MET 29 HB2 MET 29 -2.403 5.313 -0.548 220 HB3 MET 29 HB1 MET 29 -1.436 4.573 0.719 221 HG2 MET 29 HG2 MET 29 -3.490 3.006 1.005 222 HG3 MET 29 HG1 MET 29 -3.900 3.556 -0.617 223 HE1 MET 29 HE1 MET 29 -0.426 2.746 1.149 224 HE2 MET 29 HE2 MET 29 -0.179 1.106 0.550 225 HE3 MET 29 HE3 MET 29 -1.538 1.461 1.616 226 H LEU 30 HN LEU 30 -1.379 5.078 3.134 227 HA LEU 30 HA LEU 30 -2.486 2.884 4.469 228 HB2 LEU 30 HB2 LEU 30 -0.101 3.541 4.524 229 HB3 LEU 30 HB1 LEU 30 -0.517 4.901 5.549 230 HG LEU 30 HG LEU 30 -1.450 3.165 7.186 231 HD11 LEU 30 HD11 LEU 30 0.246 1.359 5.469 232 HD12 LEU 30 HD12 LEU 30 -1.505 1.272 5.658 233 HD13 LEU 30 HD13 LEU 30 -0.450 0.940 7.032 234 HD21 LEU 30 HD21 LEU 30 0.744 2.803 8.164 235 HD22 LEU 30 HD22 LEU 30 0.605 4.448 7.541 236 HD23 LEU 30 HD23 LEU 30 1.513 3.235 6.635 237 H SER 31 HN SER 31 -2.467 6.317 5.394 238 HA SER 31 HA SER 31 -3.838 6.037 7.816 239 HB2 SER 31 HB2 SER 31 -2.613 8.082 7.000 240 HB3 SER 31 HB1 SER 31 -3.991 8.414 5.953 241 HG SER 31 HG SER 31 -5.039 9.171 7.605 242 H LEU 32 HN LEU 32 -5.009 6.328 4.518 243 HA LEU 32 HA LEU 32 -7.729 6.778 5.089 244 HB2 LEU 32 HB2 LEU 32 -6.383 6.940 2.863 245 HB3 LEU 32 HB1 LEU 32 -6.782 5.244 2.693 246 HG LEU 32 HG LEU 32 -8.264 6.984 1.513 247 HD11 LEU 32 HD11 LEU 32 -8.798 4.590 1.722 248 HD12 LEU 32 HD12 LEU 32 -10.233 5.615 1.770 249 HD13 LEU 32 HD13 LEU 32 -9.592 4.921 3.262 250 HD21 LEU 32 HD21 LEU 32 -9.971 8.047 2.747 251 HD22 LEU 32 HD22 LEU 32 -8.469 8.391 3.606 252 HD23 LEU 32 HD23 LEU 32 -9.571 7.157 4.216 253 H LEU 33 HN LEU 33 -5.933 3.798 4.378 254 HA LEU 33 HA LEU 33 -8.075 2.004 4.591 255 HB2 LEU 33 HB2 LEU 33 -5.200 1.428 5.294 256 HB3 LEU 33 HB1 LEU 33 -6.412 0.271 4.785 257 HG LEU 33 HG LEU 33 -5.289 2.469 3.044 258 HD11 LEU 33 HD11 LEU 33 -4.728 -0.490 3.077 259 HD12 LEU 33 HD12 LEU 33 -3.608 0.792 3.540 260 HD13 LEU 33 HD13 LEU 33 -4.149 0.653 1.866 261 HD21 LEU 33 HD21 LEU 33 -7.113 0.158 2.401 262 HD22 LEU 33 HD22 LEU 33 -6.432 1.292 1.234 263 HD23 LEU 33 HD23 LEU 33 -7.573 1.859 2.456 264 H GLN 34 HN GLN 34 -5.843 3.233 7.027 265 HA GLN 34 HA GLN 34 -6.683 1.541 9.121 266 HB2 GLN 34 HB2 GLN 34 -5.206 4.145 9.000 267 HB3 GLN 34 HB1 GLN 34 -5.676 3.462 10.548 268 HG2 GLN 34 HG2 GLN 34 -4.412 1.449 10.067 269 HG3 GLN 34 HG1 GLN 34 -3.971 2.087 8.485 270 HE21 GLN 34 HE21 GLN 34 -2.382 1.301 10.889 271 HE22 GLN 34 HE22 GLN 34 -1.375 2.665 11.226 272 H LYS 35 HN LYS 35 -7.576 4.918 8.356 273 HA LYS 35 HA LYS 35 -9.369 5.129 10.546 274 HB2 LYS 35 HB2 LYS 35 -9.845 7.270 9.799 275 HB3 LYS 35 HB1 LYS 35 -8.215 7.001 9.204 276 HG2 LYS 35 HG2 LYS 35 -9.043 6.562 6.986 277 HG3 LYS 35 HG1 LYS 35 -10.710 6.658 7.554 278 HD2 LYS 35 HD2 LYS 35 -9.888 9.038 8.388 279 HD3 LYS 35 HD1 LYS 35 -8.733 8.823 7.071 280 HE2 LYS 35 HE2 LYS 35 -10.681 9.997 6.254 281 HE3 LYS 35 HE1 LYS 35 -10.613 8.391 5.535 282 HZ1 LYS 35 HZ1 LYS 35 -12.367 7.640 6.848 283 HZ2 LYS 35 HZ2 LYS 35 -12.844 9.207 6.406 284 HZ3 LYS 35 HZ3 LYS 35 -12.227 8.920 7.953 285 H GLU 36 HN GLU 36 -9.743 3.757 7.399 286 HA GLU 36 HA GLU 36 -12.637 3.972 7.501 287 HB2 GLU 36 HB2 GLU 36 -10.763 2.737 5.493 288 HB3 GLU 36 HB1 GLU 36 -12.510 2.584 5.378 289 HG2 GLU 36 HG2 GLU 36 -10.849 5.075 5.187 290 HG3 GLU 36 HG1 GLU 36 -11.924 4.378 3.977 291 H GLY 37 HN GLY 37 -10.575 2.139 9.133 292 HA2 GLY 37 HA2 GLY 37 -10.989 0.313 10.475 293 HA3 GLY 37 HA1 GLY 37 -12.577 0.182 9.743 294 H LEU 38 HN LEU 38 -10.174 0.281 7.388 295 HA LEU 38 HA LEU 38 -10.615 -2.489 6.736 296 HB2 LEU 38 HB2 LEU 38 -8.919 -0.339 5.476 297 HB3 LEU 38 HB1 LEU 38 -8.977 -1.982 4.869 298 HG LEU 38 HG LEU 38 -11.381 -0.167 5.084 299 HD11 LEU 38 HD11 LEU 38 -9.672 -0.866 2.701 300 HD12 LEU 38 HD12 LEU 38 -9.817 0.721 3.462 301 HD13 LEU 38 HD13 LEU 38 -11.206 0.006 2.638 302 HD21 LEU 38 HD21 LEU 38 -12.414 -1.855 3.605 303 HD22 LEU 38 HD22 LEU 38 -11.976 -2.511 5.183 304 HD23 LEU 38 HD23 LEU 38 -10.971 -2.856 3.775 305 H LEU 39 HN LEU 39 -8.045 -0.548 8.096 306 HA LEU 39 HA LEU 39 -6.618 -3.029 8.760 307 HB2 LEU 39 HB2 LEU 39 -5.494 -0.482 7.620 308 HB3 LEU 39 HB1 LEU 39 -4.497 -1.580 8.557 309 HG LEU 39 HG LEU 39 -5.911 -2.229 5.971 310 HD11 LEU 39 HD11 LEU 39 -2.988 -1.894 6.624 311 HD12 LEU 39 HD12 LEU 39 -3.978 -0.793 5.668 312 HD13 LEU 39 HD13 LEU 39 -3.644 -2.419 5.074 313 HD21 LEU 39 HD21 LEU 39 -4.410 -4.310 6.210 314 HD22 LEU 39 HD22 LEU 39 -5.921 -4.240 7.114 315 HD23 LEU 39 HD23 LEU 39 -4.393 -3.906 7.928 316 H MET 40 HN MET 40 -5.127 -2.775 10.603 317 HA MET 40 HA MET 40 -6.173 -0.798 12.521 318 HB2 MET 40 HB2 MET 40 -6.738 -3.115 13.118 319 HB3 MET 40 HB1 MET 40 -5.036 -3.555 13.050 320 HG2 MET 40 HG2 MET 40 -4.616 -1.934 14.891 321 HG3 MET 40 HG1 MET 40 -6.358 -1.696 15.011 322 HE1 MET 40 HE1 MET 40 -3.352 -4.066 15.509 323 HE2 MET 40 HE2 MET 40 -4.273 -5.041 14.365 324 HE3 MET 40 HE3 MET 40 -4.095 -5.577 16.032 325 H SER 41 HN SER 41 -3.292 -2.820 11.973 326 HA SER 41 HA SER 41 -1.654 -0.598 12.984 327 HB2 SER 41 HB2 SER 41 -0.895 -3.513 12.664 328 HB3 SER 41 HB1 SER 41 0.040 -2.264 13.487 329 HG SER 41 HG SER 41 -2.127 -2.095 14.735 330 HA PRO 42 HA PRO 42 0.111 0.133 9.004 331 HB2 PRO 42 HB2 PRO 42 2.715 0.679 9.671 332 HB3 PRO 42 HB1 PRO 42 1.384 1.825 9.913 333 HG2 PRO 42 HG2 PRO 42 2.692 0.012 11.883 334 HG3 PRO 42 HG1 PRO 42 2.164 1.696 12.075 335 HD2 PRO 42 HD2 PRO 42 0.717 -0.357 13.029 336 HD3 PRO 42 HD1 PRO 42 -0.039 1.120 12.397 337 H SER 43 HN SER 43 1.553 -2.217 11.121 338 HA SER 43 HA SER 43 3.193 -3.402 9.058 339 HB2 SER 43 HB2 SER 43 2.681 -4.711 11.700 340 HB3 SER 43 HB1 SER 43 4.174 -4.622 10.762 341 HG SER 43 HG SER 43 3.846 -3.229 12.773 342 H ASP 44 HN ASP 44 0.019 -3.403 9.379 343 HA ASP 44 HA ASP 44 -0.639 -6.186 9.388 344 HB2 ASP 44 HB2 ASP 44 -2.103 -3.641 8.988 345 HB3 ASP 44 HB1 ASP 44 -2.799 -5.061 8.218 346 H LEU 45 HN LEU 45 0.717 -4.146 7.082 347 HA LEU 45 HA LEU 45 -0.438 -5.197 4.709 348 HB2 LEU 45 HB2 LEU 45 1.771 -3.407 5.408 349 HB3 LEU 45 HB1 LEU 45 2.056 -4.339 3.955 350 HG LEU 45 HG LEU 45 1.131 -2.242 3.308 351 HD11 LEU 45 HD11 LEU 45 -1.218 -4.096 3.171 352 HD12 LEU 45 HD12 LEU 45 0.264 -4.411 2.266 353 HD13 LEU 45 HD13 LEU 45 -0.648 -2.928 1.978 354 HD21 LEU 45 HD21 LEU 45 -1.108 -1.526 4.123 355 HD22 LEU 45 HD22 LEU 45 0.152 -1.504 5.356 356 HD23 LEU 45 HD23 LEU 45 -1.029 -2.812 5.328 357 H TYR 46 HN TYR 46 1.799 -6.461 6.925 358 HA TYR 46 HA TYR 46 3.230 -8.129 5.067 359 HB2 TYR 46 HB2 TYR 46 3.172 -7.907 8.067 360 HB3 TYR 46 HB1 TYR 46 4.030 -9.221 7.267 361 HD1 TYR 46 HD1 TYR 46 5.904 -8.687 5.720 362 HD2 TYR 46 HD2 TYR 46 4.099 -5.730 8.181 363 HE1 TYR 46 HE1 TYR 46 7.858 -7.236 5.396 364 HE2 TYR 46 HE2 TYR 46 6.049 -4.267 7.867 365 HH TYR 46 HH TYR 46 8.504 -4.979 5.530 366 H SER 47 HN SER 47 0.150 -8.238 6.132 367 HA SER 47 HA SER 47 0.040 -11.152 6.345 368 HB2 SER 47 HB2 SER 47 -2.053 -9.031 6.884 369 HB3 SER 47 HB1 SER 47 -2.309 -10.766 7.073 370 HG SER 47 HG SER 47 -0.479 -10.690 8.569 371 HA PRO 48 HA PRO 48 -1.030 -10.815 1.955 372 HB2 PRO 48 HB2 PRO 48 -0.614 -13.435 1.385 373 HB3 PRO 48 HB1 PRO 48 0.713 -12.267 1.540 374 HG2 PRO 48 HG2 PRO 48 -0.268 -14.267 3.511 375 HG3 PRO 48 HG1 PRO 48 1.394 -13.805 3.101 376 HD2 PRO 48 HD2 PRO 48 0.105 -12.881 5.304 377 HD3 PRO 48 HD1 PRO 48 1.363 -11.963 4.453 378 H GLY 49 HN GLY 49 -2.508 -12.531 4.501 379 HA2 GLY 49 HA2 GLY 49 -4.663 -13.538 2.797 380 HA3 GLY 49 HA1 GLY 49 -4.444 -13.882 4.505 381 H SER 50 HN SER 50 -4.007 -10.622 3.899 382 HA SER 50 HA SER 50 -6.822 -10.040 4.522 383 HB2 SER 50 HB2 SER 50 -4.408 -8.579 5.617 384 HB3 SER 50 HB1 SER 50 -6.096 -8.271 6.030 385 HG SER 50 HG SER 50 -6.079 -9.927 7.345 386 H TRP 51 HN TRP 51 -4.817 -9.899 2.103 387 HA TRP 51 HA TRP 51 -4.863 -7.102 1.412 388 HB2 TRP 51 HB2 TRP 51 -4.049 -9.572 -0.127 389 HB3 TRP 51 HB1 TRP 51 -3.972 -7.949 -0.798 390 HD1 TRP 51 HD1 TRP 51 -2.893 -6.897 2.276 391 HE1 TRP 51 HE1 TRP 51 -0.360 -7.151 2.681 392 HE3 TRP 51 HE3 TRP 51 -1.830 -10.326 -1.367 393 HZ2 TRP 51 HZ2 TRP 51 1.788 -8.601 1.601 394 HZ3 TRP 51 HZ3 TRP 51 0.497 -11.091 -1.612 395 HH2 TRP 51 HH2 TRP 51 2.264 -10.246 -0.165 396 H ASP 52 HN ASP 52 -6.654 -9.992 0.582 397 HA ASP 52 HA ASP 52 -8.044 -9.115 -1.652 398 HB2 ASP 52 HB2 ASP 52 -8.621 -11.162 0.451 399 HB3 ASP 52 HB1 ASP 52 -9.857 -10.780 -0.741 400 HA PRO 53 HA PRO 53 -11.755 -7.719 1.238 401 HB2 PRO 53 HB2 PRO 53 -10.819 -6.789 3.699 402 HB3 PRO 53 HB1 PRO 53 -11.659 -8.326 3.429 403 HG2 PRO 53 HG2 PRO 53 -8.756 -7.788 3.696 404 HG3 PRO 53 HG1 PRO 53 -9.710 -9.167 4.273 405 HD2 PRO 53 HD2 PRO 53 -8.155 -9.376 2.115 406 HD3 PRO 53 HD1 PRO 53 -9.726 -10.200 2.204 407 H ILE 54 HN ILE 54 -8.534 -6.295 1.585 408 HA ILE 54 HA ILE 54 -9.510 -3.600 1.690 409 HB ILE 54 HB ILE 54 -6.713 -4.569 1.076 410 HG12 ILE 54 HG12 ILE 54 -7.850 -3.650 3.725 411 HG13 ILE 54 HG11 ILE 54 -7.675 -5.343 3.274 412 HG21 ILE 54 HG21 ILE 54 -6.108 -2.290 1.951 413 HG22 ILE 54 HG22 ILE 54 -7.823 -1.884 1.861 414 HG23 ILE 54 HG23 ILE 54 -6.938 -2.306 0.396 415 HD11 ILE 54 HD11 ILE 54 -5.846 -4.619 4.688 416 HD12 ILE 54 HD12 ILE 54 -5.440 -3.343 3.539 417 HD13 ILE 54 HD13 ILE 54 -5.261 -5.037 3.078 418 H THR 55 HN THR 55 -7.909 -5.597 -0.784 419 HA THR 55 HA THR 55 -7.824 -3.716 -2.838 420 HB THR 55 HB THR 55 -8.302 -6.676 -3.240 421 HG1 THR 55 HG1 THR 55 -6.542 -6.534 -1.880 422 HG21 THR 55 HG21 THR 55 -7.038 -6.357 -5.293 423 HG22 THR 55 HG22 THR 55 -6.793 -4.654 -4.905 424 HG23 THR 55 HG23 THR 55 -8.413 -5.253 -5.261 425 H ALA 56 HN ALA 56 -10.362 -6.047 -1.999 426 HA ALA 56 HA ALA 56 -12.111 -5.432 -4.114 427 HB1 ALA 56 HB1 ALA 56 -12.734 -6.495 -1.360 428 HB2 ALA 56 HB2 ALA 56 -12.339 -7.455 -2.788 429 HB3 ALA 56 HB3 ALA 56 -13.833 -6.518 -2.737 430 H ALA 57 HN ALA 57 -11.936 -4.168 -0.792 431 HA ALA 57 HA ALA 57 -14.198 -2.503 -0.935 432 HB1 ALA 57 HB1 ALA 57 -13.112 -3.131 1.173 433 HB2 ALA 57 HB2 ALA 57 -13.286 -1.382 1.023 434 HB3 ALA 57 HB3 ALA 57 -11.718 -2.139 0.744 435 H LEU 58 HN LEU 58 -10.776 -1.876 -1.651 436 HA LEU 58 HA LEU 58 -11.116 0.888 -2.203 437 HB2 LEU 58 HB2 LEU 58 -8.970 -1.062 -3.033 438 HB3 LEU 58 HB1 LEU 58 -8.905 0.655 -3.384 439 HG LEU 58 HG LEU 58 -8.882 -0.621 -0.650 440 HD11 LEU 58 HD11 LEU 58 -6.655 0.216 -0.493 441 HD12 LEU 58 HD12 LEU 58 -6.803 1.044 -2.041 442 HD13 LEU 58 HD13 LEU 58 -6.792 -0.717 -1.980 443 HD21 LEU 58 HD21 LEU 58 -10.124 1.382 -0.407 444 HD22 LEU 58 HD22 LEU 58 -9.032 2.269 -1.470 445 HD23 LEU 58 HD23 LEU 58 -8.479 1.745 0.120 446 H SER 59 HN SER 59 -11.073 -2.004 -4.226 447 HA SER 59 HA SER 59 -11.285 -0.732 -6.721 448 HB2 SER 59 HB2 SER 59 -10.706 -3.133 -6.397 449 HB3 SER 59 HB1 SER 59 -12.368 -3.442 -5.901 450 HG SER 59 HG SER 59 -12.511 -3.874 -7.976 451 H GLN 60 HN GLN 60 -13.697 -1.773 -4.374 452 HA GLN 60 HA GLN 60 -15.997 -1.300 -5.907 453 HB2 GLN 60 HB2 GLN 60 -15.955 -2.586 -3.796 454 HB3 GLN 60 HB1 GLN 60 -15.682 -1.093 -2.912 455 HG2 GLN 60 HG2 GLN 60 -17.827 -0.245 -3.580 456 HG3 GLN 60 HG1 GLN 60 -18.096 -1.645 -4.614 457 HE21 GLN 60 HE21 GLN 60 -16.648 -1.781 -1.435 458 HE22 GLN 60 HE22 GLN 60 -17.943 -2.639 -0.679 459 H ARG 61 HN ARG 61 -14.336 0.830 -3.562 460 HA ARG 61 HA ARG 61 -16.122 3.001 -3.996 461 HB2 ARG 61 HB2 ARG 61 -14.706 4.292 -2.607 462 HB3 ARG 61 HB1 ARG 61 -14.687 2.660 -1.951 463 HG2 ARG 61 HG2 ARG 61 -12.526 2.296 -3.162 464 HG3 ARG 61 HG1 ARG 61 -12.538 4.016 -3.563 465 HD2 ARG 61 HD2 ARG 61 -13.046 3.674 -0.768 466 HD3 ARG 61 HD1 ARG 61 -11.590 2.787 -1.210 467 HE ARG 61 HE ARG 61 -10.640 4.851 -2.001 468 HH11 ARG 61 HH11 ARG 61 -13.313 6.857 0.227 469 HH12 ARG 61 HH12 ARG 61 -13.604 5.194 -0.160 470 HH21 ARG 61 HH21 ARG 61 -10.225 7.015 -1.439 471 HH22 ARG 61 HH22 ARG 61 -11.397 7.893 -0.493 472 H ALA 62 HN ALA 62 -13.376 1.830 -5.693 473 HA ALA 62 HA ALA 62 -12.730 4.284 -7.009 474 HB1 ALA 62 HB1 ALA 62 -12.028 1.550 -8.014 475 HB2 ALA 62 HB2 ALA 62 -11.208 2.273 -6.629 476 HB3 ALA 62 HB3 ALA 62 -11.136 3.061 -8.208 477 H MET 63 HN MET 63 -14.755 1.499 -7.739 478 HA MET 63 HA MET 63 -15.345 2.544 -10.386 479 HB2 MET 63 HB2 MET 63 -16.583 0.493 -10.751 480 HB3 MET 63 HB1 MET 63 -14.992 0.135 -10.101 481 HG2 MET 63 HG2 MET 63 -15.974 -0.213 -7.894 482 HG3 MET 63 HG1 MET 63 -17.568 0.148 -8.550 483 HE1 MET 63 HE1 MET 63 -14.638 -1.978 -10.216 484 HE2 MET 63 HE2 MET 63 -15.063 -3.577 -9.612 485 HE3 MET 63 HE3 MET 63 -14.564 -2.318 -8.487 486 H ILE 64 HN ILE 64 -16.951 2.217 -7.258 487 HA ILE 64 HA ILE 64 -19.481 3.105 -8.358 488 HB ILE 64 HB ILE 64 -18.656 2.518 -5.512 489 HG12 ILE 64 HG12 ILE 64 -20.403 1.035 -7.488 490 HG13 ILE 64 HG11 ILE 64 -18.802 0.549 -6.948 491 HG21 ILE 64 HG21 ILE 64 -21.037 2.701 -4.945 492 HG22 ILE 64 HG22 ILE 64 -21.377 3.239 -6.590 493 HG23 ILE 64 HG23 ILE 64 -20.384 4.235 -5.525 494 HD11 ILE 64 HD11 ILE 64 -21.261 0.735 -5.229 495 HD12 ILE 64 HD12 ILE 64 -19.656 0.245 -4.688 496 HD13 ILE 64 HD13 ILE 64 -20.535 -0.743 -5.853 497 H LEU 65 HN LEU 65 -17.302 4.385 -5.816 498 HA LEU 65 HA LEU 65 -18.608 6.952 -5.926 499 HB2 LEU 65 HB2 LEU 65 -17.569 5.816 -3.874 500 HB3 LEU 65 HB1 LEU 65 -16.026 6.352 -4.507 501 HG LEU 65 HG LEU 65 -16.867 8.702 -4.412 502 HD11 LEU 65 HD11 LEU 65 -19.191 7.393 -3.010 503 HD12 LEU 65 HD12 LEU 65 -19.240 8.319 -4.510 504 HD13 LEU 65 HD13 LEU 65 -18.853 9.123 -2.988 505 HD21 LEU 65 HD21 LEU 65 -15.468 7.749 -2.638 506 HD22 LEU 65 HD22 LEU 65 -16.917 7.192 -1.801 507 HD23 LEU 65 HD23 LEU 65 -16.624 8.920 -2.001 508 H GLY 66 HN GLY 66 -15.979 5.447 -7.494 509 HA2 GLY 66 HA2 GLY 66 -14.786 6.230 -9.320 510 HA3 GLY 66 HA1 GLY 66 -15.516 7.811 -9.080 511 H LYS 67 HN LYS 67 -13.904 6.161 -6.468 512 HA LYS 67 HA LYS 67 -11.768 8.179 -6.613 513 HB2 LYS 67 HB2 LYS 67 -13.052 6.762 -4.295 514 HB3 LYS 67 HB1 LYS 67 -11.462 7.495 -4.133 515 HG2 LYS 67 HG2 LYS 67 -12.533 9.634 -4.995 516 HG3 LYS 67 HG1 LYS 67 -14.082 8.836 -4.711 517 HD2 LYS 67 HD2 LYS 67 -13.580 8.584 -2.370 518 HD3 LYS 67 HD1 LYS 67 -11.942 9.191 -2.615 519 HE2 LYS 67 HE2 LYS 67 -14.471 10.767 -3.080 520 HE3 LYS 67 HE1 LYS 67 -13.446 10.889 -1.653 521 HZ1 LYS 67 HZ1 LYS 67 -13.039 12.631 -3.343 522 HZ2 LYS 67 HZ2 LYS 67 -12.499 11.437 -4.411 523 HZ3 LYS 67 HZ3 LYS 67 -11.663 11.721 -2.970 524 H SER 68 HN SER 68 -10.211 7.210 -7.810 525 HA SER 68 HA SER 68 -9.350 4.526 -6.986 526 HB2 SER 68 HB2 SER 68 -8.699 5.960 -9.569 527 HB3 SER 68 HB1 SER 68 -8.394 4.265 -9.190 528 HG SER 68 HG SER 68 -10.894 5.554 -9.555 529 H GLY 69 HN GLY 69 -8.644 7.422 -6.023 530 HA2 GLY 69 HA2 GLY 69 -5.949 7.929 -6.586 531 HA3 GLY 69 HA1 GLY 69 -6.791 8.440 -5.128 532 H GLU 70 HN GLU 70 -7.290 6.314 -3.700 533 HA GLU 70 HA GLU 70 -4.731 5.459 -2.789 534 HB2 GLU 70 HB2 GLU 70 -7.501 4.518 -2.022 535 HB3 GLU 70 HB1 GLU 70 -6.026 4.070 -1.180 536 HG2 GLU 70 HG2 GLU 70 -6.836 5.768 0.136 537 HG3 GLU 70 HG1 GLU 70 -5.699 6.626 -0.901 538 H LEU 71 HN LEU 71 -7.007 4.211 -5.031 539 HA LEU 71 HA LEU 71 -6.363 1.462 -4.884 540 HB2 LEU 71 HB2 LEU 71 -8.400 2.352 -5.971 541 HB3 LEU 71 HB1 LEU 71 -7.403 3.038 -7.240 542 HG LEU 71 HG LEU 71 -6.622 0.632 -7.682 543 HD11 LEU 71 HD11 LEU 71 -7.469 -0.352 -5.620 544 HD12 LEU 71 HD12 LEU 71 -8.201 -1.113 -7.033 545 HD13 LEU 71 HD13 LEU 71 -9.119 0.063 -6.090 546 HD21 LEU 71 HD21 LEU 71 -9.513 1.289 -8.230 547 HD22 LEU 71 HD22 LEU 71 -8.460 0.231 -9.168 548 HD23 LEU 71 HD23 LEU 71 -8.148 1.966 -9.120 549 H LYS 72 HN LYS 72 -5.024 4.155 -6.741 550 HA LYS 72 HA LYS 72 -3.352 2.658 -8.439 551 HB2 LYS 72 HB2 LYS 72 -3.004 5.452 -7.337 552 HB3 LYS 72 HB1 LYS 72 -1.999 4.762 -8.603 553 HG2 LYS 72 HG2 LYS 72 -4.247 4.392 -9.835 554 HG3 LYS 72 HG1 LYS 72 -4.864 5.604 -8.711 555 HD2 LYS 72 HD2 LYS 72 -2.612 5.904 -10.692 556 HD3 LYS 72 HD1 LYS 72 -4.164 6.741 -10.697 557 HE2 LYS 72 HE2 LYS 72 -3.584 7.992 -8.761 558 HE3 LYS 72 HE1 LYS 72 -2.155 7.004 -8.470 559 HZ1 LYS 72 HZ1 LYS 72 -2.582 8.975 -10.634 560 HZ2 LYS 72 HZ2 LYS 72 -1.330 7.842 -10.675 561 HZ3 LYS 72 HZ3 LYS 72 -1.392 8.986 -9.432 562 H THR 73 HN THR 73 -2.678 4.261 -5.355 563 HA THR 73 HA THR 73 -0.021 3.455 -5.080 564 HB THR 73 HB THR 73 -1.685 3.732 -2.631 565 HG1 THR 73 HG1 THR 73 -1.842 6.010 -3.026 566 HG21 THR 73 HG21 THR 73 0.871 5.040 -3.572 567 HG22 THR 73 HG22 THR 73 0.767 3.628 -2.521 568 HG23 THR 73 HG23 THR 73 0.165 5.192 -1.966 569 H TRP 74 HN TRP 74 -3.017 1.977 -3.866 570 HA TRP 74 HA TRP 74 -1.881 -0.115 -2.422 571 HB2 TRP 74 HB2 TRP 74 -4.246 0.445 -2.240 572 HB3 TRP 74 HB1 TRP 74 -4.517 -0.052 -3.908 573 HD1 TRP 74 HD1 TRP 74 -5.193 -2.513 -4.276 574 HE1 TRP 74 HE1 TRP 74 -5.298 -4.628 -2.805 575 HE3 TRP 74 HE3 TRP 74 -2.930 -0.681 -0.076 576 HZ2 TRP 74 HZ2 TRP 74 -4.520 -5.401 -0.208 577 HZ3 TRP 74 HZ3 TRP 74 -2.651 -2.175 1.855 578 HH2 TRP 74 HH2 TRP 74 -3.430 -4.486 1.790 579 H GLY 75 HN GLY 75 -3.068 -0.141 -5.784 580 HA2 GLY 75 HA2 GLY 75 -2.409 -2.781 -6.386 581 HA3 GLY 75 HA1 GLY 75 -2.528 -1.486 -7.566 582 H LEU 76 HN LEU 76 -0.413 0.133 -6.674 583 HA LEU 76 HA LEU 76 1.764 -1.126 -7.955 584 HB2 LEU 76 HB2 LEU 76 1.485 1.390 -6.347 585 HB3 LEU 76 HB1 LEU 76 3.043 0.863 -6.950 586 HG LEU 76 HG LEU 76 0.663 1.357 -8.739 587 HD11 LEU 76 HD11 LEU 76 1.241 3.436 -7.650 588 HD12 LEU 76 HD12 LEU 76 1.784 3.472 -9.328 589 HD13 LEU 76 HD13 LEU 76 2.945 3.194 -8.030 590 HD21 LEU 76 HD21 LEU 76 2.284 -0.112 -9.733 591 HD22 LEU 76 HD22 LEU 76 3.606 0.949 -9.254 592 HD23 LEU 76 HD23 LEU 76 2.452 1.479 -10.476 593 H VAL 77 HN VAL 77 1.156 -0.392 -4.528 594 HA VAL 77 HA VAL 77 3.593 -1.509 -3.592 595 HB VAL 77 HB VAL 77 0.988 -1.071 -2.111 596 HG11 VAL 77 HG11 VAL 77 2.431 -2.697 -0.976 597 HG12 VAL 77 HG12 VAL 77 2.305 -1.187 -0.069 598 HG13 VAL 77 HG13 VAL 77 3.759 -1.534 -1.008 599 HG21 VAL 77 HG21 VAL 77 3.474 0.636 -2.237 600 HG22 VAL 77 HG22 VAL 77 2.020 0.974 -1.296 601 HG23 VAL 77 HG23 VAL 77 1.949 0.977 -3.058 602 H LEU 78 HN LEU 78 0.349 -2.784 -4.056 603 HA LEU 78 HA LEU 78 0.629 -5.248 -2.787 604 HB2 LEU 78 HB2 LEU 78 -1.497 -4.257 -3.603 605 HB3 LEU 78 HB1 LEU 78 -1.010 -4.630 -5.244 606 HG LEU 78 HG LEU 78 -0.942 -7.065 -4.553 607 HD11 LEU 78 HD11 LEU 78 -2.446 -6.015 -2.158 608 HD12 LEU 78 HD12 LEU 78 -0.807 -6.666 -2.127 609 HD13 LEU 78 HD13 LEU 78 -2.161 -7.708 -2.562 610 HD21 LEU 78 HD21 LEU 78 -2.765 -6.158 -5.871 611 HD22 LEU 78 HD22 LEU 78 -3.567 -5.583 -4.407 612 HD23 LEU 78 HD23 LEU 78 -3.389 -7.315 -4.692 613 H GLY 79 HN GLY 79 1.310 -4.313 -6.134 614 HA2 GLY 79 HA2 GLY 79 1.956 -6.846 -7.127 615 HA3 GLY 79 HA1 GLY 79 2.574 -5.327 -7.759 616 H ALA 80 HN ALA 80 3.987 -4.469 -5.478 617 HA ALA 80 HA ALA 80 6.401 -5.951 -5.810 618 HB1 ALA 80 HB1 ALA 80 5.776 -3.792 -3.795 619 HB2 ALA 80 HB2 ALA 80 6.341 -3.507 -5.440 620 HB3 ALA 80 HB3 ALA 80 7.378 -4.344 -4.286 621 H LEU 81 HN LEU 81 3.999 -5.638 -3.237 622 HA LEU 81 HA LEU 81 5.354 -7.163 -1.295 623 HB2 LEU 81 HB2 LEU 81 2.455 -6.518 -1.746 624 HB3 LEU 81 HB1 LEU 81 2.952 -7.571 -0.435 625 HG LEU 81 HG LEU 81 3.795 -4.694 -0.800 626 HD11 LEU 81 HD11 LEU 81 1.441 -5.014 -0.129 627 HD12 LEU 81 HD12 LEU 81 2.416 -4.248 1.127 628 HD13 LEU 81 HD13 LEU 81 1.990 -5.956 1.256 629 HD21 LEU 81 HD21 LEU 81 5.590 -5.816 0.257 630 HD22 LEU 81 HD22 LEU 81 4.497 -6.762 1.267 631 HD23 LEU 81 HD23 LEU 81 4.676 -5.029 1.542 632 H LYS 82 HN LYS 82 3.049 -8.085 -3.824 633 HA LYS 82 HA LYS 82 2.838 -10.798 -3.081 634 HB2 LYS 82 HB2 LYS 82 2.389 -9.372 -5.698 635 HB3 LYS 82 HB1 LYS 82 2.138 -11.103 -5.524 636 HG2 LYS 82 HG2 LYS 82 0.528 -10.598 -3.676 637 HG3 LYS 82 HG1 LYS 82 0.683 -8.892 -4.100 638 HD2 LYS 82 HD2 LYS 82 -0.211 -9.278 -6.278 639 HD3 LYS 82 HD1 LYS 82 -0.139 -11.026 -6.057 640 HE2 LYS 82 HE2 LYS 82 -1.744 -10.708 -4.126 641 HE3 LYS 82 HE1 LYS 82 -1.953 -9.054 -4.691 642 HZ1 LYS 82 HZ1 LYS 82 -2.525 -11.505 -6.266 643 HZ2 LYS 82 HZ2 LYS 82 -2.719 -9.922 -6.818 644 HZ3 LYS 82 HZ3 LYS 82 -3.678 -10.499 -5.548 645 H ALA 83 HN ALA 83 5.027 -9.089 -5.264 646 HA ALA 83 HA ALA 83 6.341 -11.363 -6.296 647 HB1 ALA 83 HB1 ALA 83 7.425 -8.566 -5.962 648 HB2 ALA 83 HB2 ALA 83 6.475 -9.138 -7.333 649 HB3 ALA 83 HB3 ALA 83 8.074 -9.817 -7.024 650 H ALA 84 HN ALA 84 6.893 -9.370 -3.452 651 HA ALA 84 HA ALA 84 9.353 -10.639 -2.724 652 HB1 ALA 84 HB1 ALA 84 9.134 -9.386 -0.637 653 HB2 ALA 84 HB2 ALA 84 7.490 -8.929 -1.079 654 HB3 ALA 84 HB3 ALA 84 8.854 -8.353 -2.038 655 H ARG 85 HN ARG 85 6.235 -11.730 -2.693 656 HA ARG 85 HA ARG 85 6.639 -13.419 -0.321 657 HB2 ARG 85 HB2 ARG 85 4.245 -12.342 -1.714 658 HB3 ARG 85 HB1 ARG 85 4.096 -13.947 -1.012 659 HG2 ARG 85 HG2 ARG 85 5.083 -11.590 0.560 660 HG3 ARG 85 HG1 ARG 85 3.372 -11.992 0.419 661 HD2 ARG 85 HD2 ARG 85 3.812 -14.199 1.366 662 HD3 ARG 85 HD1 ARG 85 5.526 -13.814 1.484 663 HE ARG 85 HE ARG 85 4.275 -11.819 2.879 664 HH11 ARG 85 HH11 ARG 85 3.993 -15.344 4.789 665 HH12 ARG 85 HH12 ARG 85 4.273 -15.319 3.075 666 HH21 ARG 85 HH21 ARG 85 3.884 -11.860 5.121 667 HH22 ARG 85 HH22 ARG 85 3.782 -13.383 5.951 668 H GLU 86 HN GLU 86 7.129 -13.494 -3.565 669 HA GLU 86 HA GLU 86 6.183 -16.195 -4.036 670 HB2 GLU 86 HB2 GLU 86 7.763 -14.316 -5.796 671 HB3 GLU 86 HB1 GLU 86 7.138 -15.880 -6.298 672 HG2 GLU 86 HG2 GLU 86 4.862 -15.093 -5.917 673 HG3 GLU 86 HG1 GLU 86 5.489 -13.526 -5.406 674 H GLU 87 HN GLU 87 8.999 -14.659 -2.911 675 HA GLU 87 HA GLU 87 10.494 -17.177 -3.179 676 HB2 GLU 87 HB2 GLU 87 11.594 -14.371 -3.461 677 HB3 GLU 87 HB1 GLU 87 12.570 -15.833 -3.407 678 HG2 GLU 87 HG2 GLU 87 11.544 -16.620 -5.459 679 HG3 GLU 87 HG1 GLU 87 10.497 -15.203 -5.497 680 H1 IHP 101 H37 IHP 0 14.370 10.995 1.158 681 H2 IHP 101 H38 IHP 0 12.676 11.504 2.914 682 H3 IHP 101 H39 IHP 0 12.483 12.532 0.672 683 H4 IHP 101 H40 IHP 0 10.672 10.149 0.103 684 H5 IHP 101 H41 IHP 0 13.338 11.017 -1.108 685 H6 IHP 101 H42 IHP 0 12.594 8.578 0.590 Start of MODEL 6 1 H1 SER 1 HT1 SER 1 4.940 3.423 10.464 2 H2 SER 1 HT2 SER 1 4.003 3.686 11.847 3 H3 SER 1 HT3 SER 1 5.683 3.606 11.968 4 HA SER 1 HA SER 1 4.139 5.676 10.539 5 HB2 SER 1 HB2 SER 1 5.820 6.057 13.005 6 HB3 SER 1 HB1 SER 1 4.579 7.122 12.340 7 HG SER 1 HG SER 1 3.530 6.111 13.940 8 H GLU 2 HN GLU 2 7.317 4.414 11.478 9 HA GLU 2 HA GLU 2 8.508 6.218 9.479 10 HB2 GLU 2 HB2 GLU 2 10.597 5.507 11.132 11 HB3 GLU 2 HB1 GLU 2 9.716 7.029 11.183 12 HG2 GLU 2 HG2 GLU 2 8.260 6.180 12.901 13 HG3 GLU 2 HG1 GLU 2 8.991 4.583 12.784 14 H ALA 3 HN ALA 3 9.817 3.434 11.247 15 HA ALA 3 HA ALA 3 11.347 2.445 9.159 16 HB1 ALA 3 HB1 ALA 3 11.701 1.809 11.471 17 HB2 ALA 3 HB2 ALA 3 11.507 0.378 10.460 18 HB3 ALA 3 HB3 ALA 3 10.177 0.925 11.480 19 H VAL 4 HN VAL 4 7.995 1.710 9.983 20 HA VAL 4 HA VAL 4 7.612 -0.526 8.370 21 HB VAL 4 HB VAL 4 5.676 1.647 9.167 22 HG11 VAL 4 HG11 VAL 4 4.812 0.723 7.120 23 HG12 VAL 4 HG12 VAL 4 3.878 0.077 8.468 24 HG13 VAL 4 HG13 VAL 4 5.106 -0.920 7.689 25 HG21 VAL 4 HG21 VAL 4 6.497 0.278 10.985 26 HG22 VAL 4 HG22 VAL 4 6.073 -1.188 10.107 27 HG23 VAL 4 HG23 VAL 4 4.806 -0.097 10.665 28 H ILE 5 HN ILE 5 7.404 2.917 7.513 29 HA ILE 5 HA ILE 5 6.510 2.460 4.856 30 HB ILE 5 HB ILE 5 7.990 4.886 5.881 31 HG12 ILE 5 HG12 ILE 5 5.021 4.286 5.830 32 HG13 ILE 5 HG11 ILE 5 6.026 4.472 7.265 33 HG21 ILE 5 HG21 ILE 5 6.138 4.531 3.522 34 HG22 ILE 5 HG22 ILE 5 7.889 4.728 3.445 35 HG23 ILE 5 HG23 ILE 5 6.878 6.046 4.035 36 HD11 ILE 5 HD11 ILE 5 5.349 6.612 5.262 37 HD12 ILE 5 HD12 ILE 5 6.423 6.816 6.645 38 HD13 ILE 5 HD13 ILE 5 4.715 6.460 6.900 39 H LYS 6 HN LYS 6 9.682 2.951 6.325 40 HA LYS 6 HA LYS 6 11.203 3.126 3.998 41 HB2 LYS 6 HB2 LYS 6 12.013 1.891 6.633 42 HB3 LYS 6 HB1 LYS 6 13.113 2.418 5.368 43 HG2 LYS 6 HG2 LYS 6 11.358 4.107 7.126 44 HG3 LYS 6 HG1 LYS 6 13.114 4.104 7.024 45 HD2 LYS 6 HD2 LYS 6 11.256 4.965 4.807 46 HD3 LYS 6 HD1 LYS 6 12.089 6.056 5.914 47 HE2 LYS 6 HE2 LYS 6 14.242 5.272 5.093 48 HE3 LYS 6 HE1 LYS 6 13.431 4.125 4.031 49 HZ1 LYS 6 HZ1 LYS 6 13.086 7.065 3.864 50 HZ2 LYS 6 HZ2 LYS 6 12.497 5.909 2.782 51 HZ3 LYS 6 HZ3 LYS 6 14.158 6.181 2.902 52 H VAL 7 HN VAL 7 10.207 0.255 5.837 53 HA VAL 7 HA VAL 7 11.619 -1.609 4.255 54 HB VAL 7 HB VAL 7 9.066 -2.065 5.816 55 HG11 VAL 7 HG11 VAL 7 11.159 -3.997 4.818 56 HG12 VAL 7 HG12 VAL 7 9.489 -3.876 4.264 57 HG13 VAL 7 HG13 VAL 7 9.836 -4.407 5.910 58 HG21 VAL 7 HG21 VAL 7 10.852 -1.124 7.204 59 HG22 VAL 7 HG22 VAL 7 11.938 -2.406 6.672 60 HG23 VAL 7 HG23 VAL 7 10.512 -2.801 7.632 61 H ILE 8 HN ILE 8 8.518 -0.038 3.877 62 HA ILE 8 HA ILE 8 7.546 -1.723 1.788 63 HB ILE 8 HB ILE 8 6.739 1.031 2.727 64 HG12 ILE 8 HG12 ILE 8 6.188 -0.977 4.130 65 HG13 ILE 8 HG11 ILE 8 4.783 -0.065 3.592 66 HG21 ILE 8 HG21 ILE 8 4.760 0.790 1.221 67 HG22 ILE 8 HG22 ILE 8 5.579 -0.570 0.454 68 HG23 ILE 8 HG23 ILE 8 6.291 1.042 0.380 69 HD11 ILE 8 HD11 ILE 8 5.792 -2.645 2.408 70 HD12 ILE 8 HD12 ILE 8 4.408 -1.725 1.823 71 HD13 ILE 8 HD13 ILE 8 4.371 -2.441 3.433 72 H SER 9 HN SER 9 8.853 1.596 1.811 73 HA SER 9 HA SER 9 8.951 1.938 -0.961 74 HB2 SER 9 HB2 SER 9 10.770 3.237 1.073 75 HB3 SER 9 HB1 SER 9 10.318 3.871 -0.511 76 HG SER 9 HG SER 9 9.139 4.673 1.423 77 H SER 10 HN SER 10 11.428 0.724 1.281 78 HA SER 10 HA SER 10 13.528 0.582 -0.577 79 HB2 SER 10 HB2 SER 10 13.391 0.210 2.076 80 HB3 SER 10 HB1 SER 10 13.411 -1.479 1.565 81 HG SER 10 HG SER 10 15.482 -0.042 1.895 82 H ALA 11 HN ALA 11 10.693 -1.278 -0.343 83 HA ALA 11 HA ALA 11 11.860 -3.576 -1.705 84 HB1 ALA 11 HB1 ALA 11 9.044 -3.092 -0.771 85 HB2 ALA 11 HB2 ALA 11 10.281 -4.013 0.083 86 HB3 ALA 11 HB3 ALA 11 9.653 -4.594 -1.460 87 H CYS 12 HN CYS 12 9.228 -1.207 -2.282 88 HA CYS 12 HA CYS 12 8.675 -2.074 -4.891 89 HB2 CYS 12 HB2 CYS 12 7.864 0.425 -5.123 90 HB3 CYS 12 HB1 CYS 12 6.985 -0.724 -4.117 91 HG CYS 12 HG CYS 12 8.284 2.153 -3.279 92 H LYS 13 HN LYS 13 11.133 0.071 -3.654 93 HA LYS 13 HA LYS 13 11.886 1.243 -6.113 94 HB2 LYS 13 HB2 LYS 13 13.424 0.776 -3.559 95 HB3 LYS 13 HB1 LYS 13 14.086 1.652 -4.931 96 HG2 LYS 13 HG2 LYS 13 11.517 2.455 -3.606 97 HG3 LYS 13 HG1 LYS 13 13.090 3.032 -3.054 98 HD2 LYS 13 HD2 LYS 13 13.522 4.053 -5.190 99 HD3 LYS 13 HD1 LYS 13 12.051 3.353 -5.868 100 HE2 LYS 13 HE2 LYS 13 11.591 5.635 -5.356 101 HE3 LYS 13 HE1 LYS 13 10.750 4.638 -4.175 102 HZ1 LYS 13 HZ1 LYS 13 11.688 6.188 -2.819 103 HZ2 LYS 13 HZ2 LYS 13 13.033 6.426 -3.803 104 HZ3 LYS 13 HZ3 LYS 13 12.945 5.059 -2.818 105 H THR 14 HN THR 14 12.389 -1.913 -4.823 106 HA THR 14 HA THR 14 14.599 -2.455 -6.659 107 HB THR 14 HB THR 14 13.426 -4.656 -5.052 108 HG1 THR 14 HG1 THR 14 14.599 -2.334 -3.939 109 HG21 THR 14 HG21 THR 14 16.254 -3.718 -5.550 110 HG22 THR 14 HG22 THR 14 15.419 -4.999 -6.428 111 HG23 THR 14 HG23 THR 14 15.793 -5.201 -4.715 112 H TYR 15 HN TYR 15 11.220 -3.337 -6.120 113 HA TYR 15 HA TYR 15 11.230 -5.215 -8.317 114 HB2 TYR 15 HB2 TYR 15 8.956 -4.209 -6.595 115 HB3 TYR 15 HB1 TYR 15 8.823 -5.499 -7.789 116 HD1 TYR 15 HD1 TYR 15 9.432 -4.760 -4.386 117 HD2 TYR 15 HD2 TYR 15 10.473 -7.507 -7.463 118 HE1 TYR 15 HE1 TYR 15 10.127 -6.392 -2.687 119 HE2 TYR 15 HE2 TYR 15 11.172 -9.148 -5.766 120 HH TYR 15 HH TYR 15 11.723 -9.401 -3.550 121 H CYS 16 HN CYS 16 9.627 -2.101 -7.660 122 HA CYS 16 HA CYS 16 8.799 -1.939 -10.443 123 HB2 CYS 16 HB2 CYS 16 8.393 0.236 -8.407 124 HB3 CYS 16 HB1 CYS 16 7.400 -0.167 -9.804 125 HG CYS 16 HG CYS 16 6.160 -2.322 -8.720 126 H GLY 17 HN GLY 17 10.782 -0.095 -8.146 127 HA2 GLY 17 HA2 GLY 17 12.907 0.816 -8.720 128 HA3 GLY 17 HA1 GLY 17 12.416 0.823 -10.408 129 H LYS 18 HN LYS 18 12.085 2.782 -11.202 130 HA LYS 18 HA LYS 18 11.637 5.013 -9.406 131 HB2 LYS 18 HB2 LYS 18 11.667 6.270 -11.715 132 HB3 LYS 18 HB1 LYS 18 13.151 5.686 -10.985 133 HG2 LYS 18 HG2 LYS 18 11.800 3.796 -12.791 134 HG3 LYS 18 HG1 LYS 18 12.462 5.243 -13.550 135 HD2 LYS 18 HD2 LYS 18 14.057 3.505 -11.682 136 HD3 LYS 18 HD1 LYS 18 14.007 3.245 -13.425 137 HE2 LYS 18 HE2 LYS 18 14.969 5.388 -13.845 138 HE3 LYS 18 HE1 LYS 18 14.812 5.853 -12.153 139 HZ1 LYS 18 HZ1 LYS 18 17.082 5.212 -12.722 140 HZ2 LYS 18 HZ2 LYS 18 16.550 3.669 -13.174 141 HZ3 LYS 18 HZ3 LYS 18 16.422 4.172 -11.562 142 H THR 19 HN THR 19 9.680 2.824 -10.811 143 HA THR 19 HA THR 19 7.514 4.656 -11.474 144 HB THR 19 HB THR 19 6.703 1.905 -11.508 145 HG1 THR 19 HG1 THR 19 8.301 0.954 -12.652 146 HG21 THR 19 HG21 THR 19 6.343 2.349 -13.882 147 HG22 THR 19 HG22 THR 19 7.311 3.820 -13.767 148 HG23 THR 19 HG23 THR 19 5.776 3.700 -12.904 149 H SER 20 HN SER 20 8.736 3.785 -8.718 150 HA SER 20 HA SER 20 6.473 2.670 -7.331 151 HB2 SER 20 HB2 SER 20 8.954 3.888 -6.104 152 HB3 SER 20 HB1 SER 20 7.885 2.672 -5.403 153 HG SER 20 HG SER 20 9.927 2.400 -7.258 154 HA PRO 21 HA PRO 21 4.572 6.520 -6.265 155 HB2 PRO 21 HB2 PRO 21 3.163 5.774 -4.085 156 HB3 PRO 21 HB1 PRO 21 2.744 5.191 -5.707 157 HG2 PRO 21 HG2 PRO 21 4.261 3.809 -3.548 158 HG3 PRO 21 HG1 PRO 21 2.996 3.174 -4.621 159 HD2 PRO 21 HD2 PRO 21 5.648 2.753 -5.050 160 HD3 PRO 21 HD1 PRO 21 4.450 2.830 -6.358 161 H SER 22 HN SER 22 5.083 8.294 -5.059 162 HA SER 22 HA SER 22 7.299 8.257 -3.323 163 HB2 SER 22 HB2 SER 22 5.190 10.420 -3.476 164 HB3 SER 22 HB1 SER 22 6.881 10.601 -3.011 165 HG SER 22 HG SER 22 7.495 10.421 -5.067 166 H LYS 23 HN LYS 23 7.353 8.799 -1.048 167 HA LYS 23 HA LYS 23 5.695 7.193 0.517 168 HB2 LYS 23 HB2 LYS 23 7.847 7.807 1.337 169 HB3 LYS 23 HB1 LYS 23 7.470 9.519 1.236 170 HG2 LYS 23 HG2 LYS 23 5.728 7.918 2.991 171 HG3 LYS 23 HG1 LYS 23 7.406 8.099 3.511 172 HD2 LYS 23 HD2 LYS 23 5.881 10.515 2.614 173 HD3 LYS 23 HD1 LYS 23 5.583 9.854 4.224 174 HE2 LYS 23 HE2 LYS 23 7.291 11.662 4.156 175 HE3 LYS 23 HE1 LYS 23 7.870 10.147 4.845 176 HZ1 LYS 23 HZ1 LYS 23 8.348 10.987 2.029 177 HZ2 LYS 23 HZ2 LYS 23 8.999 9.641 2.823 178 HZ3 LYS 23 HZ3 LYS 23 9.448 11.196 3.296 179 H LYS 24 HN LYS 24 5.337 10.533 -0.456 180 HA LYS 24 HA LYS 24 3.454 11.413 1.399 181 HB2 LYS 24 HB2 LYS 24 3.964 12.133 -1.470 182 HB3 LYS 24 HB1 LYS 24 2.635 12.869 -0.586 183 HG2 LYS 24 HG2 LYS 24 4.372 14.394 -0.364 184 HG3 LYS 24 HG1 LYS 24 4.402 13.502 1.154 185 HD2 LYS 24 HD2 LYS 24 6.287 12.259 0.518 186 HD3 LYS 24 HD1 LYS 24 6.113 12.706 -1.181 187 HE2 LYS 24 HE2 LYS 24 6.660 15.023 -0.625 188 HE3 LYS 24 HE1 LYS 24 6.831 14.574 1.071 189 HZ1 LYS 24 HZ1 LYS 24 8.987 14.597 0.200 190 HZ2 LYS 24 HZ2 LYS 24 8.533 13.776 -1.205 191 HZ3 LYS 24 HZ3 LYS 24 8.578 12.959 0.268 192 H GLU 25 HN GLU 25 2.988 9.636 -1.628 193 HA GLU 25 HA GLU 25 0.140 9.650 -1.477 194 HB2 GLU 25 HB2 GLU 25 2.051 8.941 -3.385 195 HB3 GLU 25 HB1 GLU 25 1.252 7.427 -2.983 196 HG2 GLU 25 HG2 GLU 25 -0.929 8.547 -3.419 197 HG3 GLU 25 HG1 GLU 25 -0.032 9.955 -3.989 198 H ILE 26 HN ILE 26 2.683 7.382 -0.576 199 HA ILE 26 HA ILE 26 1.053 5.219 0.169 200 HB ILE 26 HB ILE 26 3.753 5.985 1.302 201 HG12 ILE 26 HG12 ILE 26 3.101 4.088 -0.960 202 HG13 ILE 26 HG11 ILE 26 3.667 5.739 -1.193 203 HG21 ILE 26 HG21 ILE 26 2.633 4.359 2.702 204 HG22 ILE 26 HG22 ILE 26 3.959 3.589 1.828 205 HG23 ILE 26 HG23 ILE 26 2.296 3.347 1.297 206 HD11 ILE 26 HD11 ILE 26 5.416 3.970 -1.400 207 HD12 ILE 26 HD12 ILE 26 5.210 3.650 0.324 208 HD13 ILE 26 HD13 ILE 26 5.775 5.231 -0.221 209 H GLY 27 HN GLY 27 2.320 7.955 2.041 210 HA2 GLY 27 HA2 GLY 27 1.364 7.181 4.564 211 HA3 GLY 27 HA1 GLY 27 1.707 8.831 4.069 212 H ALA 28 HN ALA 28 -0.178 9.063 2.003 213 HA ALA 28 HA ALA 28 -2.493 9.771 3.452 214 HB1 ALA 28 HB1 ALA 28 -1.769 10.873 1.359 215 HB2 ALA 28 HB2 ALA 28 -3.453 10.351 1.307 216 HB3 ALA 28 HB3 ALA 28 -2.214 9.419 0.468 217 H MET 29 HN MET 29 -1.792 7.095 1.234 218 HA MET 29 HA MET 29 -4.336 5.895 1.335 219 HB2 MET 29 HB2 MET 29 -2.649 5.332 -0.366 220 HB3 MET 29 HB1 MET 29 -1.639 4.604 0.876 221 HG2 MET 29 HG2 MET 29 -3.568 3.027 1.329 222 HG3 MET 29 HG1 MET 29 -4.291 3.640 -0.158 223 HE1 MET 29 HE1 MET 29 -1.478 1.584 1.491 224 HE2 MET 29 HE2 MET 29 -0.475 2.827 0.744 225 HE3 MET 29 HE3 MET 29 -0.413 1.167 0.147 226 H LEU 30 HN LEU 30 -1.476 5.558 3.349 227 HA LEU 30 HA LEU 30 -2.219 3.347 4.870 228 HB2 LEU 30 HB2 LEU 30 -0.263 5.479 5.023 229 HB3 LEU 30 HB1 LEU 30 -0.863 5.061 6.616 230 HG LEU 30 HG LEU 30 -0.166 2.765 6.341 231 HD11 LEU 30 HD11 LEU 30 0.674 3.587 3.565 232 HD12 LEU 30 HD12 LEU 30 -0.595 2.438 3.994 233 HD13 LEU 30 HD13 LEU 30 1.092 2.059 4.342 234 HD21 LEU 30 HD21 LEU 30 2.263 3.095 6.170 235 HD22 LEU 30 HD22 LEU 30 1.490 4.320 7.173 236 HD23 LEU 30 HD23 LEU 30 1.985 4.712 5.527 237 H SER 31 HN SER 31 -2.892 6.791 5.397 238 HA SER 31 HA SER 31 -4.285 6.440 7.831 239 HB2 SER 31 HB2 SER 31 -4.540 8.666 5.797 240 HB3 SER 31 HB1 SER 31 -5.080 8.732 7.476 241 HG SER 31 HG SER 31 -2.835 8.338 8.046 242 H LEU 32 HN LEU 32 -5.280 6.438 4.455 243 HA LEU 32 HA LEU 32 -8.058 6.470 4.840 244 HB2 LEU 32 HB2 LEU 32 -6.203 5.881 2.665 245 HB3 LEU 32 HB1 LEU 32 -7.666 4.918 2.582 246 HG LEU 32 HG LEU 32 -7.809 6.985 1.248 247 HD11 LEU 32 HD11 LEU 32 -9.865 6.046 2.005 248 HD12 LEU 32 HD12 LEU 32 -9.965 7.796 2.192 249 HD13 LEU 32 HD13 LEU 32 -9.676 6.777 3.599 250 HD21 LEU 32 HD21 LEU 32 -7.986 9.149 2.365 251 HD22 LEU 32 HD22 LEU 32 -6.398 8.425 2.614 252 HD23 LEU 32 HD23 LEU 32 -7.596 8.390 3.910 253 H LEU 33 HN LEU 33 -5.796 3.755 4.528 254 HA LEU 33 HA LEU 33 -7.706 1.702 4.728 255 HB2 LEU 33 HB2 LEU 33 -4.837 1.574 5.657 256 HB3 LEU 33 HB1 LEU 33 -5.855 0.221 5.208 257 HG LEU 33 HG LEU 33 -4.863 2.365 3.327 258 HD11 LEU 33 HD11 LEU 33 -3.464 0.601 2.391 259 HD12 LEU 33 HD12 LEU 33 -4.044 -0.522 3.620 260 HD13 LEU 33 HD13 LEU 33 -3.078 0.879 4.088 261 HD21 LEU 33 HD21 LEU 33 -6.465 -0.142 2.820 262 HD22 LEU 33 HD22 LEU 33 -5.749 0.875 1.571 263 HD23 LEU 33 HD23 LEU 33 -7.016 1.523 2.613 264 H GLN 34 HN GLN 34 -6.037 3.574 7.168 265 HA GLN 34 HA GLN 34 -6.808 1.895 9.354 266 HB2 GLN 34 HB2 GLN 34 -5.604 4.647 9.186 267 HB3 GLN 34 HB1 GLN 34 -6.044 3.912 10.719 268 HG2 GLN 34 HG2 GLN 34 -4.489 2.120 10.370 269 HG3 GLN 34 HG1 GLN 34 -4.136 2.692 8.742 270 HE21 GLN 34 HE21 GLN 34 -1.956 2.937 9.138 271 HE22 GLN 34 HE22 GLN 34 -1.327 4.192 10.151 272 H LYS 35 HN LYS 35 -7.955 5.007 8.068 273 HA LYS 35 HA LYS 35 -9.915 5.329 10.112 274 HB2 LYS 35 HB2 LYS 35 -10.473 7.325 9.124 275 HB3 LYS 35 HB1 LYS 35 -8.814 7.122 8.591 276 HG2 LYS 35 HG2 LYS 35 -9.528 6.421 6.418 277 HG3 LYS 35 HG1 LYS 35 -11.215 6.381 6.935 278 HD2 LYS 35 HD2 LYS 35 -10.846 8.877 7.518 279 HD3 LYS 35 HD1 LYS 35 -9.437 8.743 6.462 280 HE2 LYS 35 HE2 LYS 35 -11.324 9.571 5.204 281 HE3 LYS 35 HE1 LYS 35 -10.902 7.953 4.650 282 HZ1 LYS 35 HZ1 LYS 35 -12.814 7.069 5.453 283 HZ2 LYS 35 HZ2 LYS 35 -13.369 8.646 5.174 284 HZ3 LYS 35 HZ3 LYS 35 -12.932 8.173 6.736 285 H GLU 36 HN GLU 36 -9.921 3.645 7.074 286 HA GLU 36 HA GLU 36 -12.809 3.516 6.934 287 HB2 GLU 36 HB2 GLU 36 -10.604 2.260 5.306 288 HB3 GLU 36 HB1 GLU 36 -12.293 1.825 5.074 289 HG2 GLU 36 HG2 GLU 36 -11.043 4.536 4.701 290 HG3 GLU 36 HG1 GLU 36 -11.680 3.470 3.449 291 H GLY 37 HN GLY 37 -10.475 1.965 8.726 292 HA2 GLY 37 HA2 GLY 37 -10.680 0.223 10.226 293 HA3 GLY 37 HA1 GLY 37 -12.345 0.023 9.697 294 H LEU 38 HN LEU 38 -9.802 0.014 7.351 295 HA LEU 38 HA LEU 38 -10.495 -2.659 6.545 296 HB2 LEU 38 HB2 LEU 38 -8.436 -0.696 5.540 297 HB3 LEU 38 HB1 LEU 38 -8.685 -2.283 4.832 298 HG LEU 38 HG LEU 38 -10.808 -0.144 4.994 299 HD11 LEU 38 HD11 LEU 38 -8.961 -0.934 2.753 300 HD12 LEU 38 HD12 LEU 38 -9.115 0.646 3.520 301 HD13 LEU 38 HD13 LEU 38 -10.430 0.017 2.527 302 HD21 LEU 38 HD21 LEU 38 -11.939 -1.590 3.319 303 HD22 LEU 38 HD22 LEU 38 -11.777 -2.336 4.908 304 HD23 LEU 38 HD23 LEU 38 -10.699 -2.811 3.595 305 H LEU 39 HN LEU 39 -8.005 -1.109 8.367 306 HA LEU 39 HA LEU 39 -6.909 -3.708 9.100 307 HB2 LEU 39 HB2 LEU 39 -5.351 -1.428 7.914 308 HB3 LEU 39 HB1 LEU 39 -4.586 -2.559 9.014 309 HG LEU 39 HG LEU 39 -5.834 -3.230 6.349 310 HD11 LEU 39 HD11 LEU 39 -2.967 -3.272 7.277 311 HD12 LEU 39 HD12 LEU 39 -3.686 -2.073 6.201 312 HD13 LEU 39 HD13 LEU 39 -3.556 -3.755 5.685 313 HD21 LEU 39 HD21 LEU 39 -4.715 -5.476 6.831 314 HD22 LEU 39 HD22 LEU 39 -6.220 -5.120 7.682 315 HD23 LEU 39 HD23 LEU 39 -4.671 -4.954 8.514 316 H MET 40 HN MET 40 -4.977 -3.017 10.794 317 HA MET 40 HA MET 40 -6.319 -1.239 12.714 318 HB2 MET 40 HB2 MET 40 -6.291 -3.578 13.435 319 HB3 MET 40 HB1 MET 40 -4.547 -3.635 13.222 320 HG2 MET 40 HG2 MET 40 -4.315 -1.908 14.967 321 HG3 MET 40 HG1 MET 40 -6.057 -1.974 15.222 322 HE1 MET 40 HE1 MET 40 -5.751 -2.365 17.687 323 HE2 MET 40 HE2 MET 40 -3.988 -2.475 17.685 324 HE3 MET 40 HE3 MET 40 -4.952 -3.750 18.434 325 H SER 41 HN SER 41 -3.100 -2.526 11.871 326 HA SER 41 HA SER 41 -1.989 0.146 12.433 327 HB2 SER 41 HB2 SER 41 0.061 -1.755 12.796 328 HB3 SER 41 HB1 SER 41 -0.744 -0.807 14.047 329 HG SER 41 HG SER 41 -1.798 -3.250 13.035 330 HA PRO 42 HA PRO 42 -0.238 0.068 8.372 331 HB2 PRO 42 HB2 PRO 42 2.233 1.185 8.797 332 HB3 PRO 42 HB1 PRO 42 0.725 2.118 8.776 333 HG2 PRO 42 HG2 PRO 42 2.274 1.113 11.113 334 HG3 PRO 42 HG1 PRO 42 1.494 2.688 10.866 335 HD2 PRO 42 HD2 PRO 42 0.356 0.775 12.366 336 HD3 PRO 42 HD1 PRO 42 -0.605 1.882 11.362 337 H SER 43 HN SER 43 1.161 -1.673 10.930 338 HA SER 43 HA SER 43 3.185 -2.954 9.302 339 HB2 SER 43 HB2 SER 43 3.265 -4.334 11.590 340 HB3 SER 43 HB1 SER 43 4.040 -2.761 11.414 341 HG SER 43 HG SER 43 1.986 -3.491 13.015 342 H ASP 44 HN ASP 44 -0.083 -3.290 9.742 343 HA ASP 44 HA ASP 44 -0.273 -6.146 9.819 344 HB2 ASP 44 HB2 ASP 44 -2.233 -3.914 9.409 345 HB3 ASP 44 HB1 ASP 44 -2.707 -5.574 9.064 346 H LEU 45 HN LEU 45 0.683 -4.064 7.442 347 HA LEU 45 HA LEU 45 -0.606 -5.185 5.161 348 HB2 LEU 45 HB2 LEU 45 1.722 -3.366 5.601 349 HB3 LEU 45 HB1 LEU 45 1.517 -4.104 4.026 350 HG LEU 45 HG LEU 45 0.509 -2.006 3.827 351 HD11 LEU 45 HD11 LEU 45 -0.891 -3.930 3.050 352 HD12 LEU 45 HD12 LEU 45 -1.775 -2.442 3.378 353 HD13 LEU 45 HD13 LEU 45 -1.820 -3.767 4.540 354 HD21 LEU 45 HD21 LEU 45 -1.101 -1.093 5.432 355 HD22 LEU 45 HD22 LEU 45 0.475 -1.387 6.170 356 HD23 LEU 45 HD23 LEU 45 -0.861 -2.502 6.465 357 H TYR 46 HN TYR 46 1.828 -6.300 7.197 358 HA TYR 46 HA TYR 46 3.412 -7.753 5.327 359 HB2 TYR 46 HB2 TYR 46 3.093 -7.858 8.315 360 HB3 TYR 46 HB1 TYR 46 4.087 -9.033 7.465 361 HD1 TYR 46 HD1 TYR 46 6.239 -8.448 6.611 362 HD2 TYR 46 HD2 TYR 46 3.733 -5.459 8.310 363 HE1 TYR 46 HE1 TYR 46 8.141 -6.895 6.671 364 HE2 TYR 46 HE2 TYR 46 5.630 -3.898 8.372 365 HH TYR 46 HH TYR 46 8.233 -4.166 8.474 366 H SER 47 HN SER 47 0.316 -8.257 6.633 367 HA SER 47 HA SER 47 0.394 -11.147 6.383 368 HB2 SER 47 HB2 SER 47 -1.979 -9.385 7.017 369 HB3 SER 47 HB1 SER 47 -1.815 -11.112 7.326 370 HG SER 47 HG SER 47 -1.369 -9.429 9.089 371 HA PRO 48 HA PRO 48 -0.793 -10.588 2.063 372 HB2 PRO 48 HB2 PRO 48 -0.437 -13.207 1.381 373 HB3 PRO 48 HB1 PRO 48 0.892 -12.039 1.498 374 HG2 PRO 48 HG2 PRO 48 0.037 -14.126 3.427 375 HG3 PRO 48 HG1 PRO 48 1.670 -13.592 2.985 376 HD2 PRO 48 HD2 PRO 48 0.410 -12.817 5.268 377 HD3 PRO 48 HD1 PRO 48 1.636 -11.837 4.446 378 H GLY 49 HN GLY 49 -2.245 -12.505 4.514 379 HA2 GLY 49 HA2 GLY 49 -4.373 -13.512 2.819 380 HA3 GLY 49 HA1 GLY 49 -4.227 -13.734 4.555 381 H SER 50 HN SER 50 -3.760 -10.544 4.180 382 HA SER 50 HA SER 50 -6.627 -9.965 4.516 383 HB2 SER 50 HB2 SER 50 -4.332 -8.295 5.552 384 HB3 SER 50 HB1 SER 50 -6.031 -8.202 6.014 385 HG SER 50 HG SER 50 -5.599 -9.614 7.492 386 H TRP 51 HN TRP 51 -4.513 -9.858 2.144 387 HA TRP 51 HA TRP 51 -4.642 -7.098 1.348 388 HB2 TRP 51 HB2 TRP 51 -3.740 -9.584 -0.113 389 HB3 TRP 51 HB1 TRP 51 -3.665 -7.969 -0.805 390 HD1 TRP 51 HD1 TRP 51 -2.716 -6.919 2.340 391 HE1 TRP 51 HE1 TRP 51 -0.191 -7.114 2.819 392 HE3 TRP 51 HE3 TRP 51 -1.451 -10.236 -1.341 393 HZ2 TRP 51 HZ2 TRP 51 2.037 -8.496 1.771 394 HZ3 TRP 51 HZ3 TRP 51 0.892 -10.944 -1.534 395 HH2 TRP 51 HH2 TRP 51 2.601 -10.090 -0.012 396 H ASP 52 HN ASP 52 -6.376 -10.053 0.526 397 HA ASP 52 HA ASP 52 -7.710 -9.152 -1.747 398 HB2 ASP 52 HB2 ASP 52 -7.934 -11.411 0.045 399 HB3 ASP 52 HB1 ASP 52 -9.518 -10.868 -0.493 400 HA PRO 53 HA PRO 53 -11.494 -7.859 1.108 401 HB2 PRO 53 HB2 PRO 53 -10.594 -6.980 3.604 402 HB3 PRO 53 HB1 PRO 53 -11.448 -8.498 3.288 403 HG2 PRO 53 HG2 PRO 53 -8.546 -8.007 3.638 404 HG3 PRO 53 HG1 PRO 53 -9.531 -9.397 4.136 405 HD2 PRO 53 HD2 PRO 53 -7.911 -9.529 2.008 406 HD3 PRO 53 HD1 PRO 53 -9.481 -10.359 2.036 407 H ILE 54 HN ILE 54 -8.289 -6.430 1.594 408 HA ILE 54 HA ILE 54 -9.194 -3.740 1.765 409 HB ILE 54 HB ILE 54 -6.471 -4.816 1.011 410 HG12 ILE 54 HG12 ILE 54 -7.467 -3.679 3.634 411 HG13 ILE 54 HG11 ILE 54 -7.291 -5.398 3.291 412 HG21 ILE 54 HG21 ILE 54 -6.690 -2.575 0.162 413 HG22 ILE 54 HG22 ILE 54 -5.667 -2.538 1.600 414 HG23 ILE 54 HG23 ILE 54 -7.349 -2.016 1.700 415 HD11 ILE 54 HD11 ILE 54 -5.414 -4.572 4.574 416 HD12 ILE 54 HD12 ILE 54 -5.075 -3.362 3.337 417 HD13 ILE 54 HD13 ILE 54 -4.890 -5.077 2.967 418 H THR 55 HN THR 55 -7.755 -5.638 -0.870 419 HA THR 55 HA THR 55 -7.857 -3.666 -2.848 420 HB THR 55 HB THR 55 -8.200 -6.621 -3.377 421 HG1 THR 55 HG1 THR 55 -6.411 -6.572 -2.090 422 HG21 THR 55 HG21 THR 55 -8.404 -5.166 -5.324 423 HG22 THR 55 HG22 THR 55 -6.900 -6.085 -5.401 424 HG23 THR 55 HG23 THR 55 -6.873 -4.390 -4.921 425 H ALA 56 HN ALA 56 -10.243 -6.104 -1.884 426 HA ALA 56 HA ALA 56 -12.123 -5.637 -3.905 427 HB1 ALA 56 HB1 ALA 56 -12.706 -6.465 -1.066 428 HB2 ALA 56 HB2 ALA 56 -12.155 -7.556 -2.334 429 HB3 ALA 56 HB3 ALA 56 -13.715 -6.749 -2.484 430 H ALA 57 HN ALA 57 -11.803 -4.188 -0.686 431 HA ALA 57 HA ALA 57 -14.073 -2.534 -0.827 432 HB1 ALA 57 HB1 ALA 57 -11.553 -2.067 0.765 433 HB2 ALA 57 HB2 ALA 57 -12.898 -3.093 1.264 434 HB3 ALA 57 HB3 ALA 57 -13.142 -1.358 1.066 435 H LEU 58 HN LEU 58 -10.669 -1.922 -1.620 436 HA LEU 58 HA LEU 58 -11.024 0.802 -2.265 437 HB2 LEU 58 HB2 LEU 58 -8.903 -1.151 -3.143 438 HB3 LEU 58 HB1 LEU 58 -8.836 0.577 -3.433 439 HG LEU 58 HG LEU 58 -8.750 -0.825 -0.764 440 HD11 LEU 58 HD11 LEU 58 -6.562 0.228 -0.576 441 HD12 LEU 58 HD12 LEU 58 -6.758 0.936 -2.179 442 HD13 LEU 58 HD13 LEU 58 -6.648 -0.815 -1.995 443 HD21 LEU 58 HD21 LEU 58 -10.083 1.124 -0.434 444 HD22 LEU 58 HD22 LEU 58 -8.983 2.109 -1.396 445 HD23 LEU 58 HD23 LEU 58 -8.464 1.482 0.167 446 H SER 59 HN SER 59 -11.243 -2.144 -4.204 447 HA SER 59 HA SER 59 -11.473 -0.823 -6.702 448 HB2 SER 59 HB2 SER 59 -12.520 -3.554 -5.922 449 HB3 SER 59 HB1 SER 59 -12.236 -2.973 -7.564 450 HG SER 59 HG SER 59 -10.337 -3.525 -5.534 451 H GLN 60 HN GLN 60 -13.755 -1.739 -4.214 452 HA GLN 60 HA GLN 60 -16.135 -1.382 -5.663 453 HB2 GLN 60 HB2 GLN 60 -15.804 -2.457 -3.355 454 HB3 GLN 60 HB1 GLN 60 -15.844 -0.821 -2.719 455 HG2 GLN 60 HG2 GLN 60 -18.077 -0.536 -3.777 456 HG3 GLN 60 HG1 GLN 60 -18.033 -2.243 -4.204 457 HE21 GLN 60 HE21 GLN 60 -16.819 -0.815 -1.215 458 HE22 GLN 60 HE22 GLN 60 -17.968 -1.586 -0.176 459 H ARG 61 HN ARG 61 -14.508 0.842 -3.391 460 HA ARG 61 HA ARG 61 -16.213 3.030 -3.903 461 HB2 ARG 61 HB2 ARG 61 -14.470 4.399 -2.801 462 HB3 ARG 61 HB1 ARG 61 -14.861 2.948 -1.891 463 HG2 ARG 61 HG2 ARG 61 -12.843 1.869 -2.888 464 HG3 ARG 61 HG1 ARG 61 -12.426 3.436 -3.585 465 HD2 ARG 61 HD2 ARG 61 -12.999 3.318 -0.676 466 HD3 ARG 61 HD1 ARG 61 -11.475 2.642 -1.242 467 HE ARG 61 HE ARG 61 -10.915 4.823 -2.121 468 HH11 ARG 61 HH11 ARG 61 -13.522 6.387 0.507 469 HH12 ARG 61 HH12 ARG 61 -13.643 4.711 0.078 470 HH21 ARG 61 HH21 ARG 61 -10.734 7.003 -1.546 471 HH22 ARG 61 HH22 ARG 61 -11.877 7.702 -0.435 472 H ALA 62 HN ALA 62 -13.400 1.845 -5.564 473 HA ALA 62 HA ALA 62 -12.785 4.201 -7.006 474 HB1 ALA 62 HB1 ALA 62 -11.176 2.382 -6.718 475 HB2 ALA 62 HB2 ALA 62 -11.428 2.757 -8.424 476 HB3 ALA 62 HB3 ALA 62 -12.184 1.332 -7.715 477 H MET 63 HN MET 63 -14.941 1.482 -7.657 478 HA MET 63 HA MET 63 -15.545 2.563 -10.293 479 HB2 MET 63 HB2 MET 63 -16.827 0.540 -10.668 480 HB3 MET 63 HB1 MET 63 -15.223 0.144 -10.073 481 HG2 MET 63 HG2 MET 63 -16.103 -0.305 -7.876 482 HG3 MET 63 HG1 MET 63 -17.708 0.219 -8.376 483 HE1 MET 63 HE1 MET 63 -15.145 -1.913 -10.462 484 HE2 MET 63 HE2 MET 63 -15.618 -3.552 -10.025 485 HE3 MET 63 HE3 MET 63 -14.900 -2.491 -8.814 486 H ILE 64 HN ILE 64 -17.027 2.335 -7.123 487 HA ILE 64 HA ILE 64 -19.606 3.122 -8.161 488 HB ILE 64 HB ILE 64 -18.698 2.864 -5.290 489 HG12 ILE 64 HG12 ILE 64 -20.306 1.009 -7.066 490 HG13 ILE 64 HG11 ILE 64 -18.662 0.731 -6.497 491 HG21 ILE 64 HG21 ILE 64 -21.099 2.890 -4.751 492 HG22 ILE 64 HG22 ILE 64 -21.466 3.226 -6.443 493 HG23 ILE 64 HG23 ILE 64 -20.569 4.403 -5.484 494 HD11 ILE 64 HD11 ILE 64 -21.182 0.793 -4.863 495 HD12 ILE 64 HD12 ILE 64 -19.564 0.749 -4.169 496 HD13 ILE 64 HD13 ILE 64 -20.128 -0.585 -5.176 497 H LEU 65 HN LEU 65 -17.116 4.659 -6.114 498 HA LEU 65 HA LEU 65 -18.554 7.182 -6.285 499 HB2 LEU 65 HB2 LEU 65 -16.079 6.330 -4.801 500 HB3 LEU 65 HB1 LEU 65 -16.558 8.013 -4.914 501 HG LEU 65 HG LEU 65 -18.856 7.042 -3.994 502 HD11 LEU 65 HD11 LEU 65 -16.801 5.144 -2.880 503 HD12 LEU 65 HD12 LEU 65 -18.097 4.719 -3.997 504 HD13 LEU 65 HD13 LEU 65 -18.484 5.278 -2.370 505 HD21 LEU 65 HD21 LEU 65 -17.529 8.800 -2.956 506 HD22 LEU 65 HD22 LEU 65 -16.435 7.590 -2.285 507 HD23 LEU 65 HD23 LEU 65 -18.114 7.653 -1.751 508 H GLY 66 HN GLY 66 -16.031 5.546 -7.895 509 HA2 GLY 66 HA2 GLY 66 -15.025 6.169 -9.896 510 HA3 GLY 66 HA1 GLY 66 -15.716 7.774 -9.714 511 H LYS 67 HN LYS 67 -13.984 6.523 -7.018 512 HA LYS 67 HA LYS 67 -11.703 8.229 -7.753 513 HB2 LYS 67 HB2 LYS 67 -11.385 8.290 -5.159 514 HB3 LYS 67 HB1 LYS 67 -12.555 9.354 -5.929 515 HG2 LYS 67 HG2 LYS 67 -14.368 7.918 -5.283 516 HG3 LYS 67 HG1 LYS 67 -13.243 6.709 -4.659 517 HD2 LYS 67 HD2 LYS 67 -14.237 8.038 -2.859 518 HD3 LYS 67 HD1 LYS 67 -12.494 8.276 -2.947 519 HE2 LYS 67 HE2 LYS 67 -13.824 10.203 -4.609 520 HE3 LYS 67 HE1 LYS 67 -14.509 10.240 -2.985 521 HZ1 LYS 67 HZ1 LYS 67 -11.629 10.501 -3.668 522 HZ2 LYS 67 HZ2 LYS 67 -12.261 10.483 -2.101 523 HZ3 LYS 67 HZ3 LYS 67 -12.649 11.750 -3.149 524 H SER 68 HN SER 68 -10.230 6.860 -8.503 525 HA SER 68 HA SER 68 -9.709 4.365 -7.062 526 HB2 SER 68 HB2 SER 68 -8.070 4.632 -9.388 527 HB3 SER 68 HB1 SER 68 -9.402 3.510 -9.110 528 HG SER 68 HG SER 68 -9.310 5.739 -10.659 529 H GLY 69 HN GLY 69 -8.857 7.190 -6.304 530 HA2 GLY 69 HA2 GLY 69 -6.132 7.595 -6.626 531 HA3 GLY 69 HA1 GLY 69 -7.065 8.143 -5.242 532 H GLU 70 HN GLU 70 -7.693 6.048 -3.821 533 HA GLU 70 HA GLU 70 -5.281 5.244 -2.605 534 HB2 GLU 70 HB2 GLU 70 -8.108 4.222 -2.316 535 HB3 GLU 70 HB1 GLU 70 -6.776 3.665 -1.315 536 HG2 GLU 70 HG2 GLU 70 -7.827 5.275 -0.015 537 HG3 GLU 70 HG1 GLU 70 -6.443 6.123 -0.703 538 H LEU 71 HN LEU 71 -7.266 3.818 -5.070 539 HA LEU 71 HA LEU 71 -6.292 1.167 -4.880 540 HB2 LEU 71 HB2 LEU 71 -8.403 1.811 -5.994 541 HB3 LEU 71 HB1 LEU 71 -7.480 2.586 -7.264 542 HG LEU 71 HG LEU 71 -6.700 -0.194 -6.884 543 HD11 LEU 71 HD11 LEU 71 -9.017 -0.486 -6.230 544 HD12 LEU 71 HD12 LEU 71 -8.754 -1.148 -7.843 545 HD13 LEU 71 HD13 LEU 71 -9.555 0.412 -7.650 546 HD21 LEU 71 HD21 LEU 71 -6.120 1.254 -8.808 547 HD22 LEU 71 HD22 LEU 71 -7.824 1.282 -9.258 548 HD23 LEU 71 HD23 LEU 71 -6.928 -0.239 -9.285 549 H LYS 72 HN LYS 72 -5.212 4.011 -6.664 550 HA LYS 72 HA LYS 72 -3.399 2.736 -8.395 551 HB2 LYS 72 HB2 LYS 72 -3.415 5.522 -7.233 552 HB3 LYS 72 HB1 LYS 72 -2.229 4.986 -8.413 553 HG2 LYS 72 HG2 LYS 72 -4.329 4.350 -9.815 554 HG3 LYS 72 HG1 LYS 72 -5.142 5.496 -8.749 555 HD2 LYS 72 HD2 LYS 72 -2.759 6.038 -10.517 556 HD3 LYS 72 HD1 LYS 72 -4.401 6.636 -10.748 557 HE2 LYS 72 HE2 LYS 72 -4.212 7.868 -8.609 558 HE3 LYS 72 HE1 LYS 72 -2.540 7.327 -8.471 559 HZ1 LYS 72 HZ1 LYS 72 -3.645 9.023 -10.648 560 HZ2 LYS 72 HZ2 LYS 72 -2.044 8.489 -10.544 561 HZ3 LYS 72 HZ3 LYS 72 -2.652 9.553 -9.382 562 H THR 73 HN THR 73 -2.825 4.335 -5.270 563 HA THR 73 HA THR 73 -0.103 3.678 -5.077 564 HB THR 73 HB THR 73 -1.779 3.931 -2.615 565 HG1 THR 73 HG1 THR 73 -1.190 6.110 -4.382 566 HG21 THR 73 HG21 THR 73 0.828 5.179 -3.498 567 HG22 THR 73 HG22 THR 73 0.661 3.779 -2.435 568 HG23 THR 73 HG23 THR 73 0.083 5.362 -1.911 569 H TRP 74 HN TRP 74 -3.012 2.051 -3.889 570 HA TRP 74 HA TRP 74 -1.762 0.011 -2.445 571 HB2 TRP 74 HB2 TRP 74 -4.142 0.468 -2.215 572 HB3 TRP 74 HB1 TRP 74 -4.423 -0.002 -3.887 573 HD1 TRP 74 HD1 TRP 74 -5.453 -2.332 -4.052 574 HE1 TRP 74 HE1 TRP 74 -5.313 -4.529 -2.707 575 HE3 TRP 74 HE3 TRP 74 -2.140 -0.865 -0.444 576 HZ2 TRP 74 HZ2 TRP 74 -3.974 -5.498 -0.425 577 HZ3 TRP 74 HZ3 TRP 74 -1.480 -2.487 1.277 578 HH2 TRP 74 HH2 TRP 74 -2.379 -4.759 1.286 579 H GLY 75 HN GLY 75 -2.947 0.028 -5.812 580 HA2 GLY 75 HA2 GLY 75 -2.234 -2.586 -6.480 581 HA3 GLY 75 HA1 GLY 75 -2.354 -1.259 -7.623 582 H LEU 76 HN LEU 76 -0.259 0.314 -6.402 583 HA LEU 76 HA LEU 76 1.960 -0.844 -7.764 584 HB2 LEU 76 HB2 LEU 76 1.674 1.575 -5.998 585 HB3 LEU 76 HB1 LEU 76 3.196 1.123 -6.740 586 HG LEU 76 HG LEU 76 0.698 1.656 -8.340 587 HD11 LEU 76 HD11 LEU 76 1.286 3.662 -7.065 588 HD12 LEU 76 HD12 LEU 76 1.588 3.874 -8.790 589 HD13 LEU 76 HD13 LEU 76 2.933 3.574 -7.691 590 HD21 LEU 76 HD21 LEU 76 3.619 1.550 -9.080 591 HD22 LEU 76 HD22 LEU 76 2.289 1.931 -10.171 592 HD23 LEU 76 HD23 LEU 76 2.407 0.326 -9.455 593 H VAL 77 HN VAL 77 1.270 -0.211 -4.331 594 HA VAL 77 HA VAL 77 3.678 -1.378 -3.377 595 HB VAL 77 HB VAL 77 1.070 -0.931 -1.915 596 HG11 VAL 77 HG11 VAL 77 2.465 -2.549 -0.750 597 HG12 VAL 77 HG12 VAL 77 2.426 -1.021 0.128 598 HG13 VAL 77 HG13 VAL 77 3.840 -1.447 -0.835 599 HG21 VAL 77 HG21 VAL 77 3.547 0.783 -2.064 600 HG22 VAL 77 HG22 VAL 77 2.126 1.106 -1.071 601 HG23 VAL 77 HG23 VAL 77 2.000 1.131 -2.830 602 H LEU 78 HN LEU 78 0.381 -2.598 -3.768 603 HA LEU 78 HA LEU 78 0.675 -5.079 -2.540 604 HB2 LEU 78 HB2 LEU 78 -1.485 -4.155 -3.216 605 HB3 LEU 78 HB1 LEU 78 -1.039 -4.317 -4.904 606 HG LEU 78 HG LEU 78 -1.002 -6.766 -4.656 607 HD11 LEU 78 HD11 LEU 78 -0.412 -6.897 -2.298 608 HD12 LEU 78 HD12 LEU 78 -1.900 -7.786 -2.623 609 HD13 LEU 78 HD13 LEU 78 -1.971 -6.198 -1.858 610 HD21 LEU 78 HD21 LEU 78 -3.046 -5.581 -5.366 611 HD22 LEU 78 HD22 LEU 78 -3.572 -5.525 -3.683 612 HD23 LEU 78 HD23 LEU 78 -3.395 -7.078 -4.501 613 H GLY 79 HN GLY 79 1.367 -4.087 -5.877 614 HA2 GLY 79 HA2 GLY 79 1.962 -6.622 -6.921 615 HA3 GLY 79 HA1 GLY 79 2.618 -5.108 -7.525 616 H ALA 80 HN ALA 80 4.038 -4.275 -5.279 617 HA ALA 80 HA ALA 80 6.434 -5.764 -5.579 618 HB1 ALA 80 HB1 ALA 80 5.715 -3.652 -3.547 619 HB2 ALA 80 HB2 ALA 80 6.454 -3.370 -5.124 620 HB3 ALA 80 HB3 ALA 80 7.340 -4.249 -3.877 621 H LEU 81 HN LEU 81 4.020 -5.510 -3.011 622 HA LEU 81 HA LEU 81 5.297 -7.136 -1.114 623 HB2 LEU 81 HB2 LEU 81 2.397 -6.482 -1.593 624 HB3 LEU 81 HB1 LEU 81 2.915 -7.503 -0.266 625 HG LEU 81 HG LEU 81 3.776 -4.640 -0.676 626 HD11 LEU 81 HD11 LEU 81 1.414 -4.784 -0.130 627 HD12 LEU 81 HD12 LEU 81 2.332 -4.158 1.239 628 HD13 LEU 81 HD13 LEU 81 1.778 -5.833 1.241 629 HD21 LEU 81 HD21 LEU 81 4.270 -6.608 1.552 630 HD22 LEU 81 HD22 LEU 81 4.589 -4.878 1.663 631 HD23 LEU 81 HD23 LEU 81 5.471 -5.865 0.496 632 H LYS 82 HN LYS 82 3.024 -7.923 -3.714 633 HA LYS 82 HA LYS 82 2.659 -10.630 -3.110 634 HB2 LYS 82 HB2 LYS 82 2.504 -9.055 -5.661 635 HB3 LYS 82 HB1 LYS 82 2.310 -10.800 -5.683 636 HG2 LYS 82 HG2 LYS 82 0.447 -10.576 -4.073 637 HG3 LYS 82 HG1 LYS 82 0.607 -8.821 -4.183 638 HD2 LYS 82 HD2 LYS 82 0.111 -8.901 -6.560 639 HD3 LYS 82 HD1 LYS 82 0.032 -10.662 -6.502 640 HE2 LYS 82 HE2 LYS 82 -1.872 -10.516 -4.963 641 HE3 LYS 82 HE1 LYS 82 -1.800 -8.757 -5.047 642 HZ1 LYS 82 HZ1 LYS 82 -3.009 -10.597 -6.849 643 HZ2 LYS 82 HZ2 LYS 82 -1.912 -9.601 -7.661 644 HZ3 LYS 82 HZ3 LYS 82 -3.174 -8.915 -6.766 645 H ALA 83 HN ALA 83 5.042 -9.040 -5.203 646 HA ALA 83 HA ALA 83 6.377 -11.398 -6.013 647 HB1 ALA 83 HB1 ALA 83 7.463 -8.589 -5.865 648 HB2 ALA 83 HB2 ALA 83 6.536 -9.254 -7.211 649 HB3 ALA 83 HB3 ALA 83 8.124 -9.917 -6.819 650 H ALA 84 HN ALA 84 6.773 -9.245 -3.275 651 HA ALA 84 HA ALA 84 9.262 -10.244 -2.381 652 HB1 ALA 84 HB1 ALA 84 8.813 -9.072 -0.320 653 HB2 ALA 84 HB2 ALA 84 7.103 -8.934 -0.729 654 HB3 ALA 84 HB3 ALA 84 8.311 -8.071 -1.683 655 H ARG 85 HN ARG 85 5.935 -11.214 -1.810 656 HA ARG 85 HA ARG 85 6.682 -13.149 0.206 657 HB2 ARG 85 HB2 ARG 85 4.092 -12.322 -1.061 658 HB3 ARG 85 HB1 ARG 85 4.187 -13.823 -0.152 659 HG2 ARG 85 HG2 ARG 85 4.869 -11.095 0.915 660 HG3 ARG 85 HG1 ARG 85 3.359 -11.960 1.199 661 HD2 ARG 85 HD2 ARG 85 4.776 -13.826 2.173 662 HD3 ARG 85 HD1 ARG 85 6.125 -12.693 2.138 663 HE ARG 85 HE ARG 85 4.138 -11.354 3.451 664 HH11 ARG 85 HH11 ARG 85 5.646 -14.360 5.656 665 HH12 ARG 85 HH12 ARG 85 5.824 -14.381 3.930 666 HH21 ARG 85 HH21 ARG 85 3.854 -11.336 5.710 667 HH22 ARG 85 HH22 ARG 85 4.523 -12.618 6.674 668 H GLU 86 HN GLU 86 6.738 -13.073 -3.142 669 HA GLU 86 HA GLU 86 5.918 -15.733 -3.727 670 HB2 GLU 86 HB2 GLU 86 7.584 -13.711 -5.214 671 HB3 GLU 86 HB1 GLU 86 7.341 -15.337 -5.836 672 HG2 GLU 86 HG2 GLU 86 4.877 -14.928 -5.708 673 HG3 GLU 86 HG1 GLU 86 5.243 -13.250 -5.315 674 H GLU 87 HN GLU 87 8.881 -14.271 -2.648 675 HA GLU 87 HA GLU 87 10.167 -16.918 -2.698 676 HB2 GLU 87 HB2 GLU 87 11.521 -14.220 -2.914 677 HB3 GLU 87 HB1 GLU 87 12.326 -15.784 -2.920 678 HG2 GLU 87 HG2 GLU 87 11.042 -16.340 -4.988 679 HG3 GLU 87 HG1 GLU 87 10.475 -14.672 -5.011 680 H1 IHP 101 H37 IHP 0 14.629 10.197 1.628 681 H2 IHP 101 H38 IHP 0 12.907 10.596 3.344 682 H3 IHP 101 H39 IHP 0 12.810 11.842 1.205 683 H4 IHP 101 H40 IHP 0 10.948 9.572 0.317 684 H5 IHP 101 H41 IHP 0 13.696 10.461 -0.660 685 H6 IHP 101 H42 IHP 0 12.793 7.918 0.759 Start of MODEL 7 1 H1 SER 1 HT1 SER 1 3.534 7.386 11.168 2 H2 SER 1 HT2 SER 1 2.419 6.116 11.196 3 H3 SER 1 HT3 SER 1 3.105 6.606 9.731 4 HA SER 1 HA SER 1 4.590 5.422 11.990 5 HB2 SER 1 HB2 SER 1 4.895 3.530 10.280 6 HB3 SER 1 HB1 SER 1 3.313 3.659 11.048 7 HG SER 1 HG SER 1 2.443 4.334 9.202 8 H GLU 2 HN GLU 2 6.770 4.619 11.110 9 HA GLU 2 HA GLU 2 7.802 6.441 9.063 10 HB2 GLU 2 HB2 GLU 2 9.913 6.551 10.594 11 HB3 GLU 2 HB1 GLU 2 8.544 7.606 10.919 12 HG2 GLU 2 HG2 GLU 2 7.793 5.684 12.509 13 HG3 GLU 2 HG1 GLU 2 9.489 5.210 12.423 14 H ALA 3 HN ALA 3 8.974 3.839 11.206 15 HA ALA 3 HA ALA 3 10.864 2.834 9.395 16 HB1 ALA 3 HB1 ALA 3 10.792 2.408 11.864 17 HB2 ALA 3 HB2 ALA 3 11.111 0.989 10.868 18 HB3 ALA 3 HB3 ALA 3 9.507 1.241 11.553 19 H VAL 4 HN VAL 4 7.503 1.898 10.004 20 HA VAL 4 HA VAL 4 7.439 -0.380 8.384 21 HB VAL 4 HB VAL 4 5.210 1.564 9.016 22 HG11 VAL 4 HG11 VAL 4 4.626 0.293 7.041 23 HG12 VAL 4 HG12 VAL 4 3.691 -0.286 8.419 24 HG13 VAL 4 HG13 VAL 4 5.076 -1.211 7.843 25 HG21 VAL 4 HG21 VAL 4 4.558 -0.097 10.688 26 HG22 VAL 4 HG22 VAL 4 6.186 0.509 10.986 27 HG23 VAL 4 HG23 VAL 4 5.957 -1.081 10.260 28 H ILE 5 HN ILE 5 6.969 3.033 7.578 29 HA ILE 5 HA ILE 5 6.155 2.585 4.898 30 HB ILE 5 HB ILE 5 7.465 5.049 6.066 31 HG12 ILE 5 HG12 ILE 5 4.543 4.322 5.754 32 HG13 ILE 5 HG11 ILE 5 5.424 4.444 7.276 33 HG21 ILE 5 HG21 ILE 5 5.804 4.696 3.571 34 HG22 ILE 5 HG22 ILE 5 7.543 4.991 3.628 35 HG23 ILE 5 HG23 ILE 5 6.419 6.228 4.195 36 HD11 ILE 5 HD11 ILE 5 4.960 6.723 5.372 37 HD12 ILE 5 HD12 ILE 5 5.709 6.811 6.967 38 HD13 ILE 5 HD13 ILE 5 4.001 6.393 6.816 39 H LYS 6 HN LYS 6 9.269 3.101 6.462 40 HA LYS 6 HA LYS 6 10.862 3.429 4.187 41 HB2 LYS 6 HB2 LYS 6 11.641 2.109 6.796 42 HB3 LYS 6 HB1 LYS 6 12.750 2.746 5.592 43 HG2 LYS 6 HG2 LYS 6 10.839 4.307 7.314 44 HG3 LYS 6 HG1 LYS 6 12.600 4.302 7.397 45 HD2 LYS 6 HD2 LYS 6 10.947 5.308 5.083 46 HD3 LYS 6 HD1 LYS 6 11.751 6.312 6.289 47 HE2 LYS 6 HE2 LYS 6 13.915 5.490 5.572 48 HE3 LYS 6 HE1 LYS 6 13.145 4.400 4.419 49 HZ1 LYS 6 HZ1 LYS 6 13.123 7.364 4.353 50 HZ2 LYS 6 HZ2 LYS 6 12.225 6.384 3.314 51 HZ3 LYS 6 HZ3 LYS 6 13.906 6.332 3.269 52 H VAL 7 HN VAL 7 9.806 0.529 5.886 53 HA VAL 7 HA VAL 7 11.300 -1.356 4.456 54 HB VAL 7 HB VAL 7 8.571 -1.672 5.729 55 HG11 VAL 7 HG11 VAL 7 10.550 -3.826 4.987 56 HG12 VAL 7 HG12 VAL 7 9.090 -3.448 4.074 57 HG13 VAL 7 HG13 VAL 7 8.964 -4.050 5.727 58 HG21 VAL 7 HG21 VAL 7 10.340 -0.929 7.269 59 HG22 VAL 7 HG22 VAL 7 11.313 -2.327 6.805 60 HG23 VAL 7 HG23 VAL 7 9.775 -2.559 7.639 61 H ILE 8 HN ILE 8 8.126 0.061 3.816 62 HA ILE 8 HA ILE 8 7.534 -1.543 1.545 63 HB ILE 8 HB ILE 8 6.443 1.196 2.219 64 HG12 ILE 8 HG12 ILE 8 6.102 -0.318 4.105 65 HG13 ILE 8 HG11 ILE 8 4.572 -0.015 3.293 66 HG21 ILE 8 HG21 ILE 8 4.532 0.564 0.869 67 HG22 ILE 8 HG22 ILE 8 5.262 -1.008 0.534 68 HG23 ILE 8 HG23 ILE 8 6.016 0.464 -0.084 69 HD11 ILE 8 HD11 ILE 8 6.271 -2.480 3.030 70 HD12 ILE 8 HD12 ILE 8 4.770 -2.179 2.158 71 HD13 ILE 8 HD13 ILE 8 4.753 -2.333 3.914 72 H SER 9 HN SER 9 8.803 1.776 1.898 73 HA SER 9 HA SER 9 8.944 2.337 -0.842 74 HB2 SER 9 HB2 SER 9 10.746 4.031 -0.030 75 HB3 SER 9 HB1 SER 9 9.081 4.216 0.520 76 HG SER 9 HG SER 9 10.391 4.385 2.293 77 H SER 10 HN SER 10 11.504 1.190 1.367 78 HA SER 10 HA SER 10 13.533 1.062 -0.557 79 HB2 SER 10 HB2 SER 10 13.211 -0.636 1.927 80 HB3 SER 10 HB1 SER 10 14.710 -0.397 1.025 81 HG SER 10 HG SER 10 13.603 1.983 1.622 82 H ALA 11 HN ALA 11 10.972 -1.194 0.216 83 HA ALA 11 HA ALA 11 12.096 -3.382 -1.241 84 HB1 ALA 11 HB1 ALA 11 9.249 -2.925 -0.366 85 HB2 ALA 11 HB2 ALA 11 10.500 -3.729 0.580 86 HB3 ALA 11 HB3 ALA 11 9.935 -4.450 -0.926 87 H CYS 12 HN CYS 12 9.457 -1.069 -1.922 88 HA CYS 12 HA CYS 12 8.852 -2.073 -4.472 89 HB2 CYS 12 HB2 CYS 12 7.657 0.009 -4.862 90 HB3 CYS 12 HB1 CYS 12 7.346 -0.583 -3.234 91 HG CYS 12 HG CYS 12 9.643 1.277 -2.456 92 H LYS 13 HN LYS 13 11.404 0.037 -3.416 93 HA LYS 13 HA LYS 13 12.021 1.184 -5.926 94 HB2 LYS 13 HB2 LYS 13 13.733 0.714 -3.482 95 HB3 LYS 13 HB1 LYS 13 14.293 1.588 -4.900 96 HG2 LYS 13 HG2 LYS 13 11.865 2.394 -3.321 97 HG3 LYS 13 HG1 LYS 13 13.489 3.003 -2.997 98 HD2 LYS 13 HD2 LYS 13 13.609 4.093 -5.078 99 HD3 LYS 13 HD1 LYS 13 12.231 3.197 -5.720 100 HE2 LYS 13 HE2 LYS 13 11.427 5.362 -5.238 101 HE3 LYS 13 HE1 LYS 13 10.833 4.325 -3.943 102 HZ1 LYS 13 HZ1 LYS 13 11.741 6.486 -3.185 103 HZ2 LYS 13 HZ2 LYS 13 13.261 6.013 -3.730 104 HZ3 LYS 13 HZ3 LYS 13 12.512 5.157 -2.482 105 H THR 14 HN THR 14 12.558 -1.955 -4.633 106 HA THR 14 HA THR 14 14.586 -2.549 -6.657 107 HB THR 14 HB THR 14 13.623 -4.532 -4.629 108 HG1 THR 14 HG1 THR 14 15.350 -2.305 -4.189 109 HG21 THR 14 HG21 THR 14 16.286 -3.989 -5.952 110 HG22 THR 14 HG22 THR 14 15.188 -5.323 -6.303 111 HG23 THR 14 HG23 THR 14 16.002 -5.240 -4.740 112 H TYR 15 HN TYR 15 11.231 -3.113 -5.929 113 HA TYR 15 HA TYR 15 11.074 -5.250 -7.913 114 HB2 TYR 15 HB2 TYR 15 8.943 -4.128 -6.081 115 HB3 TYR 15 HB1 TYR 15 8.730 -5.497 -7.168 116 HD1 TYR 15 HD1 TYR 15 9.172 -4.736 -3.865 117 HD2 TYR 15 HD2 TYR 15 10.848 -7.262 -6.855 118 HE1 TYR 15 HE1 TYR 15 10.021 -6.243 -2.115 119 HE2 TYR 15 HE2 TYR 15 11.693 -8.772 -5.111 120 HH TYR 15 HH TYR 15 12.200 -8.862 -2.842 121 H CYS 16 HN CYS 16 10.230 -1.902 -7.500 122 HA CYS 16 HA CYS 16 9.023 -1.915 -10.185 123 HB2 CYS 16 HB2 CYS 16 8.601 0.111 -7.977 124 HB3 CYS 16 HB1 CYS 16 7.797 0.095 -9.542 125 HG CYS 16 HG CYS 16 6.433 -0.909 -6.995 126 H GLY 17 HN GLY 17 10.896 0.179 -7.973 127 HA2 GLY 17 HA2 GLY 17 13.017 1.090 -8.561 128 HA3 GLY 17 HA1 GLY 17 12.598 0.902 -10.259 129 H LYS 18 HN LYS 18 11.763 2.603 -11.329 130 HA LYS 18 HA LYS 18 11.400 5.054 -9.787 131 HB2 LYS 18 HB2 LYS 18 11.235 6.035 -12.202 132 HB3 LYS 18 HB1 LYS 18 12.796 5.575 -11.542 133 HG2 LYS 18 HG2 LYS 18 11.495 3.393 -12.956 134 HG3 LYS 18 HG1 LYS 18 11.755 4.810 -13.972 135 HD2 LYS 18 HD2 LYS 18 13.899 3.506 -12.295 136 HD3 LYS 18 HD1 LYS 18 13.633 3.180 -14.009 137 HE2 LYS 18 HE2 LYS 18 14.121 5.466 -14.578 138 HE3 LYS 18 HE1 LYS 18 14.202 5.917 -12.876 139 HZ1 LYS 18 HZ1 LYS 18 16.150 4.554 -12.610 140 HZ2 LYS 18 HZ2 LYS 18 16.401 5.645 -13.877 141 HZ3 LYS 18 HZ3 LYS 18 16.056 4.022 -14.213 142 H THR 19 HN THR 19 9.527 2.593 -10.833 143 HA THR 19 HA THR 19 7.201 4.213 -11.507 144 HB THR 19 HB THR 19 6.230 1.710 -11.527 145 HG1 THR 19 HG1 THR 19 7.859 0.278 -12.200 146 HG21 THR 19 HG21 THR 19 6.787 1.631 -13.940 147 HG22 THR 19 HG22 THR 19 7.897 2.982 -13.700 148 HG23 THR 19 HG23 THR 19 6.168 3.199 -13.430 149 H SER 20 HN SER 20 8.701 3.178 -8.791 150 HA SER 20 HA SER 20 6.653 2.101 -7.195 151 HB2 SER 20 HB2 SER 20 8.846 3.785 -6.037 152 HB3 SER 20 HB1 SER 20 8.172 2.265 -5.444 153 HG SER 20 HG SER 20 10.198 2.718 -7.257 154 HA PRO 21 HA PRO 21 4.138 5.632 -6.319 155 HB2 PRO 21 HB2 PRO 21 3.170 4.900 -3.864 156 HB3 PRO 21 HB1 PRO 21 2.597 4.187 -5.384 157 HG2 PRO 21 HG2 PRO 21 4.537 3.103 -3.410 158 HG3 PRO 21 HG1 PRO 21 3.264 2.269 -4.322 159 HD2 PRO 21 HD2 PRO 21 5.877 2.158 -5.030 160 HD3 PRO 21 HD1 PRO 21 4.552 2.073 -6.209 161 H SER 22 HN SER 22 4.322 7.575 -5.313 162 HA SER 22 HA SER 22 6.702 8.251 -3.999 163 HB2 SER 22 HB2 SER 22 4.322 9.990 -3.632 164 HB3 SER 22 HB1 SER 22 5.947 10.400 -4.180 165 HG SER 22 HG SER 22 5.458 9.797 -6.201 166 H LYS 23 HN LYS 23 7.211 8.583 -1.877 167 HA LYS 23 HA LYS 23 6.044 7.033 0.106 168 HB2 LYS 23 HB2 LYS 23 8.347 7.996 0.103 169 HB3 LYS 23 HB1 LYS 23 7.656 9.553 0.515 170 HG2 LYS 23 HG2 LYS 23 7.137 7.174 2.245 171 HG3 LYS 23 HG1 LYS 23 8.657 8.054 2.367 172 HD2 LYS 23 HD2 LYS 23 5.881 9.152 2.795 173 HD3 LYS 23 HD1 LYS 23 7.122 8.890 4.020 174 HE2 LYS 23 HE2 LYS 23 7.017 10.969 1.861 175 HE3 LYS 23 HE1 LYS 23 7.203 11.184 3.599 176 HZ1 LYS 23 HZ1 LYS 23 9.360 11.340 3.185 177 HZ2 LYS 23 HZ2 LYS 23 9.197 10.778 1.602 178 HZ3 LYS 23 HZ3 LYS 23 9.351 9.680 2.878 179 H LYS 24 HN LYS 24 5.692 10.522 -0.450 180 HA LYS 24 HA LYS 24 3.979 10.997 1.736 181 HB2 LYS 24 HB2 LYS 24 4.321 12.543 -0.838 182 HB3 LYS 24 HB1 LYS 24 3.469 13.134 0.584 183 HG2 LYS 24 HG2 LYS 24 5.563 12.908 1.885 184 HG3 LYS 24 HG1 LYS 24 6.396 12.425 0.410 185 HD2 LYS 24 HD2 LYS 24 4.991 14.833 -0.116 186 HD3 LYS 24 HD1 LYS 24 5.885 15.039 1.388 187 HE2 LYS 24 HE2 LYS 24 7.093 14.019 -1.175 188 HE3 LYS 24 HE1 LYS 24 7.150 15.698 -0.651 189 HZ1 LYS 24 HZ1 LYS 24 8.327 14.938 1.364 190 HZ2 LYS 24 HZ2 LYS 24 9.183 14.607 -0.053 191 HZ3 LYS 24 HZ3 LYS 24 8.356 13.367 0.739 192 H GLU 25 HN GLU 25 3.410 9.504 -1.276 193 HA GLU 25 HA GLU 25 0.554 9.999 -1.249 194 HB2 GLU 25 HB2 GLU 25 1.769 9.804 -3.396 195 HB3 GLU 25 HB1 GLU 25 2.205 8.148 -2.988 196 HG2 GLU 25 HG2 GLU 25 -0.146 7.518 -2.995 197 HG3 GLU 25 HG1 GLU 25 -0.598 9.179 -3.371 198 H ILE 26 HN ILE 26 2.832 7.361 -0.653 199 HA ILE 26 HA ILE 26 0.989 5.332 -0.082 200 HB ILE 26 HB ILE 26 3.723 5.676 1.166 201 HG12 ILE 26 HG12 ILE 26 3.001 4.150 -1.341 202 HG13 ILE 26 HG11 ILE 26 3.695 5.768 -1.349 203 HG21 ILE 26 HG21 ILE 26 2.308 3.992 2.257 204 HG22 ILE 26 HG22 ILE 26 3.682 3.257 1.436 205 HG23 ILE 26 HG23 ILE 26 2.078 3.187 0.707 206 HD11 ILE 26 HD11 ILE 26 4.989 3.278 -0.254 207 HD12 ILE 26 HD12 ILE 26 5.681 4.898 -0.195 208 HD13 ILE 26 HD13 ILE 26 5.407 4.111 -1.749 209 H GLY 27 HN GLY 27 2.479 7.783 1.982 210 HA2 GLY 27 HA2 GLY 27 1.541 6.913 4.467 211 HA3 GLY 27 HA1 GLY 27 1.908 8.583 4.059 212 H ALA 28 HN ALA 28 -0.038 8.931 2.035 213 HA ALA 28 HA ALA 28 -2.302 9.593 3.613 214 HB1 ALA 28 HB1 ALA 28 -1.595 10.868 1.605 215 HB2 ALA 28 HB2 ALA 28 -3.292 10.391 1.554 216 HB3 ALA 28 HB3 ALA 28 -2.101 9.507 0.603 217 H MET 29 HN MET 29 -1.654 7.062 1.217 218 HA MET 29 HA MET 29 -4.232 5.906 1.222 219 HB2 MET 29 HB2 MET 29 -2.607 5.429 -0.544 220 HB3 MET 29 HB1 MET 29 -1.534 4.665 0.623 221 HG2 MET 29 HG2 MET 29 -3.576 3.109 1.053 222 HG3 MET 29 HG1 MET 29 -4.091 3.671 -0.537 223 HE1 MET 29 HE1 MET 29 -0.463 2.920 0.930 224 HE2 MET 29 HE2 MET 29 -0.244 1.273 0.334 225 HE3 MET 29 HE3 MET 29 -1.503 1.620 1.519 226 H LEU 30 HN LEU 30 -1.337 5.342 3.129 227 HA LEU 30 HA LEU 30 -2.168 3.078 4.549 228 HB2 LEU 30 HB2 LEU 30 0.135 4.219 4.400 229 HB3 LEU 30 HB1 LEU 30 -0.438 5.249 5.696 230 HG LEU 30 HG LEU 30 -0.722 3.284 7.141 231 HD11 LEU 30 HD11 LEU 30 -1.215 1.560 5.567 232 HD12 LEU 30 HD12 LEU 30 0.290 1.127 6.377 233 HD13 LEU 30 HD13 LEU 30 0.326 1.791 4.744 234 HD21 LEU 30 HD21 LEU 30 1.687 2.733 7.366 235 HD22 LEU 30 HD22 LEU 30 1.369 4.462 7.245 236 HD23 LEU 30 HD23 LEU 30 1.984 3.579 5.848 237 H SER 31 HN SER 31 -2.697 6.507 5.097 238 HA SER 31 HA SER 31 -3.915 6.233 7.658 239 HB2 SER 31 HB2 SER 31 -2.881 8.340 6.633 240 HB3 SER 31 HB1 SER 31 -4.372 8.493 5.703 241 HG SER 31 HG SER 31 -4.365 8.246 8.529 242 H LEU 32 HN LEU 32 -5.057 6.233 4.344 243 HA LEU 32 HA LEU 32 -7.818 6.432 4.850 244 HB2 LEU 32 HB2 LEU 32 -6.537 6.638 2.632 245 HB3 LEU 32 HB1 LEU 32 -6.592 4.891 2.572 246 HG LEU 32 HG LEU 32 -8.367 6.355 1.309 247 HD11 LEU 32 HD11 LEU 32 -8.325 3.935 1.286 248 HD12 LEU 32 HD12 LEU 32 -9.978 4.520 1.487 249 HD13 LEU 32 HD13 LEU 32 -9.091 3.887 2.876 250 HD21 LEU 32 HD21 LEU 32 -10.392 6.741 2.552 251 HD22 LEU 32 HD22 LEU 32 -9.056 7.591 3.332 252 HD23 LEU 32 HD23 LEU 32 -9.661 6.081 4.016 253 H LEU 33 HN LEU 33 -5.601 3.696 4.735 254 HA LEU 33 HA LEU 33 -7.521 1.645 4.895 255 HB2 LEU 33 HB2 LEU 33 -4.696 1.651 5.957 256 HB3 LEU 33 HB1 LEU 33 -5.671 0.229 5.642 257 HG LEU 33 HG LEU 33 -4.718 2.181 3.541 258 HD11 LEU 33 HD11 LEU 33 -3.198 0.445 2.836 259 HD12 LEU 33 HD12 LEU 33 -3.785 -0.628 4.109 260 HD13 LEU 33 HD13 LEU 33 -2.905 0.842 4.530 261 HD21 LEU 33 HD21 LEU 33 -6.220 -0.422 3.316 262 HD22 LEU 33 HD22 LEU 33 -5.507 0.454 1.960 263 HD23 LEU 33 HD23 LEU 33 -6.810 1.186 2.895 264 H GLN 34 HN GLN 34 -6.003 3.666 7.303 265 HA GLN 34 HA GLN 34 -6.939 2.207 9.577 266 HB2 GLN 34 HB2 GLN 34 -5.813 4.971 9.180 267 HB3 GLN 34 HB1 GLN 34 -6.417 4.445 10.743 268 HG2 GLN 34 HG2 GLN 34 -4.286 2.978 9.220 269 HG3 GLN 34 HG1 GLN 34 -3.948 4.229 10.414 270 HE21 GLN 34 HE21 GLN 34 -3.314 1.349 10.372 271 HE22 GLN 34 HE22 GLN 34 -3.963 0.721 11.848 272 H LYS 35 HN LYS 35 -8.020 5.001 7.744 273 HA LYS 35 HA LYS 35 -10.170 5.778 9.363 274 HB2 LYS 35 HB2 LYS 35 -9.483 7.332 7.747 275 HB3 LYS 35 HB1 LYS 35 -9.491 6.137 6.459 276 HG2 LYS 35 HG2 LYS 35 -11.936 6.091 6.518 277 HG3 LYS 35 HG1 LYS 35 -11.920 7.292 7.809 278 HD2 LYS 35 HD2 LYS 35 -11.062 8.962 6.390 279 HD3 LYS 35 HD1 LYS 35 -10.622 7.787 5.149 280 HE2 LYS 35 HE2 LYS 35 -12.659 9.127 4.620 281 HE3 LYS 35 HE1 LYS 35 -12.913 7.384 4.614 282 HZ1 LYS 35 HZ1 LYS 35 -14.656 8.759 5.759 283 HZ2 LYS 35 HZ2 LYS 35 -13.521 9.072 6.971 284 HZ3 LYS 35 HZ3 LYS 35 -14.023 7.483 6.673 285 H GLU 36 HN GLU 36 -10.063 3.637 6.528 286 HA GLU 36 HA GLU 36 -12.834 3.030 6.551 287 HB2 GLU 36 HB2 GLU 36 -10.483 1.597 5.316 288 HB3 GLU 36 HB1 GLU 36 -12.156 1.132 5.051 289 HG2 GLU 36 HG2 GLU 36 -10.921 3.777 4.335 290 HG3 GLU 36 HG1 GLU 36 -11.326 2.475 3.218 291 H GLY 37 HN GLY 37 -10.191 1.874 8.408 292 HA2 GLY 37 HA2 GLY 37 -10.201 0.437 10.215 293 HA3 GLY 37 HA1 GLY 37 -11.926 0.201 9.963 294 H LEU 38 HN LEU 38 -9.542 -0.299 7.471 295 HA LEU 38 HA LEU 38 -10.398 -3.046 7.174 296 HB2 LEU 38 HB2 LEU 38 -8.510 -1.269 5.636 297 HB3 LEU 38 HB1 LEU 38 -8.663 -2.981 5.282 298 HG LEU 38 HG LEU 38 -11.039 -1.130 5.237 299 HD11 LEU 38 HD11 LEU 38 -9.197 -1.852 2.963 300 HD12 LEU 38 HD12 LEU 38 -9.413 -0.250 3.666 301 HD13 LEU 38 HD13 LEU 38 -10.742 -1.019 2.802 302 HD21 LEU 38 HD21 LEU 38 -11.988 -2.874 3.818 303 HD22 LEU 38 HD22 LEU 38 -11.507 -3.527 5.384 304 HD23 LEU 38 HD23 LEU 38 -10.501 -3.811 3.961 305 H LEU 39 HN LEU 39 -7.686 -1.257 8.388 306 HA LEU 39 HA LEU 39 -6.402 -3.781 9.187 307 HB2 LEU 39 HB2 LEU 39 -5.040 -1.218 8.340 308 HB3 LEU 39 HB1 LEU 39 -4.219 -2.616 8.999 309 HG LEU 39 HG LEU 39 -5.693 -2.501 6.370 310 HD11 LEU 39 HD11 LEU 39 -2.753 -2.747 6.990 311 HD12 LEU 39 HD12 LEU 39 -3.564 -1.312 6.356 312 HD13 LEU 39 HD13 LEU 39 -3.485 -2.785 5.385 313 HD21 LEU 39 HD21 LEU 39 -4.438 -4.776 6.155 314 HD22 LEU 39 HD22 LEU 39 -5.990 -4.695 6.985 315 HD23 LEU 39 HD23 LEU 39 -4.496 -4.752 7.918 316 H MET 40 HN MET 40 -4.937 -3.454 11.096 317 HA MET 40 HA MET 40 -6.233 -1.612 12.987 318 HB2 MET 40 HB2 MET 40 -6.293 -3.958 13.667 319 HB3 MET 40 HB1 MET 40 -4.550 -4.084 13.466 320 HG2 MET 40 HG2 MET 40 -4.380 -2.264 15.239 321 HG3 MET 40 HG1 MET 40 -6.084 -2.577 15.559 322 HE1 MET 40 HE1 MET 40 -3.207 -5.201 14.609 323 HE2 MET 40 HE2 MET 40 -2.649 -5.573 16.238 324 HE3 MET 40 HE3 MET 40 -2.472 -3.940 15.596 325 H SER 41 HN SER 41 -3.159 -2.715 11.726 326 HA SER 41 HA SER 41 -1.939 -0.214 12.660 327 HB2 SER 41 HB2 SER 41 0.167 -1.820 12.977 328 HB3 SER 41 HB1 SER 41 -1.004 -1.573 14.273 329 HG SER 41 HG SER 41 -1.797 -3.558 12.602 330 HA PRO 42 HA PRO 42 -0.314 0.035 8.559 331 HB2 PRO 42 HB2 PRO 42 2.187 1.081 9.015 332 HB3 PRO 42 HB1 PRO 42 0.694 2.039 9.078 333 HG2 PRO 42 HG2 PRO 42 2.284 0.878 11.303 334 HG3 PRO 42 HG1 PRO 42 1.476 2.454 11.191 335 HD2 PRO 42 HD2 PRO 42 0.414 0.393 12.573 336 HD3 PRO 42 HD1 PRO 42 -0.587 1.589 11.724 337 H SER 43 HN SER 43 1.163 -1.876 10.965 338 HA SER 43 HA SER 43 3.094 -3.099 9.175 339 HB2 SER 43 HB2 SER 43 3.225 -4.566 11.449 340 HB3 SER 43 HB1 SER 43 4.106 -3.053 11.213 341 HG SER 43 HG SER 43 2.185 -3.617 12.996 342 H ASP 44 HN ASP 44 -0.077 -3.350 9.312 343 HA ASP 44 HA ASP 44 -0.427 -6.196 9.596 344 HB2 ASP 44 HB2 ASP 44 -2.209 -3.889 8.970 345 HB3 ASP 44 HB1 ASP 44 -2.729 -5.491 8.460 346 H LEU 45 HN LEU 45 0.820 -4.298 7.169 347 HA LEU 45 HA LEU 45 -0.333 -5.604 4.904 348 HB2 LEU 45 HB2 LEU 45 2.014 -3.782 5.276 349 HB3 LEU 45 HB1 LEU 45 1.748 -4.585 3.743 350 HG LEU 45 HG LEU 45 0.715 -2.590 3.333 351 HD11 LEU 45 HD11 LEU 45 -0.945 -4.397 3.077 352 HD12 LEU 45 HD12 LEU 45 -1.671 -2.831 3.441 353 HD13 LEU 45 HD13 LEU 45 -1.532 -4.049 4.707 354 HD21 LEU 45 HD21 LEU 45 1.159 -1.650 5.545 355 HD22 LEU 45 HD22 LEU 45 -0.247 -2.499 6.184 356 HD23 LEU 45 HD23 LEU 45 -0.456 -1.239 4.970 357 H TYR 46 HN TYR 46 1.992 -6.555 7.168 358 HA TYR 46 HA TYR 46 3.653 -8.131 5.469 359 HB2 TYR 46 HB2 TYR 46 3.155 -8.211 8.446 360 HB3 TYR 46 HB1 TYR 46 4.317 -9.255 7.638 361 HD1 TYR 46 HD1 TYR 46 6.044 -7.903 6.081 362 HD2 TYR 46 HD2 TYR 46 3.948 -6.289 9.410 363 HE1 TYR 46 HE1 TYR 46 7.764 -6.162 6.315 364 HE2 TYR 46 HE2 TYR 46 5.656 -4.547 9.654 365 HH TYR 46 HH TYR 46 7.753 -3.928 9.040 366 H SER 47 HN SER 47 0.494 -8.519 6.685 367 HA SER 47 HA SER 47 0.549 -11.426 6.462 368 HB2 SER 47 HB2 SER 47 -1.787 -9.642 7.175 369 HB3 SER 47 HB1 SER 47 -1.654 -11.381 7.435 370 HG SER 47 HG SER 47 -1.019 -9.525 9.134 371 HA PRO 48 HA PRO 48 -0.743 -10.819 2.181 372 HB2 PRO 48 HB2 PRO 48 -0.442 -13.422 1.447 373 HB3 PRO 48 HB1 PRO 48 0.928 -12.307 1.613 374 HG2 PRO 48 HG2 PRO 48 -0.046 -14.383 3.506 375 HG3 PRO 48 HG1 PRO 48 1.616 -13.952 3.056 376 HD2 PRO 48 HD2 PRO 48 0.450 -13.112 5.360 377 HD3 PRO 48 HD1 PRO 48 1.695 -12.183 4.503 378 H GLY 49 HN GLY 49 -2.245 -12.558 4.679 379 HA2 GLY 49 HA2 GLY 49 -4.407 -13.561 3.010 380 HA3 GLY 49 HA1 GLY 49 -4.227 -13.799 4.741 381 H SER 50 HN SER 50 -3.710 -10.589 4.196 382 HA SER 50 HA SER 50 -6.565 -9.961 4.569 383 HB2 SER 50 HB2 SER 50 -4.246 -8.465 5.805 384 HB3 SER 50 HB1 SER 50 -5.961 -8.251 6.152 385 HG SER 50 HG SER 50 -5.989 -10.326 7.054 386 H TRP 51 HN TRP 51 -4.736 -9.928 2.141 387 HA TRP 51 HA TRP 51 -4.613 -7.079 1.524 388 HB2 TRP 51 HB2 TRP 51 -3.746 -9.526 -0.022 389 HB3 TRP 51 HB1 TRP 51 -3.607 -7.886 -0.636 390 HD1 TRP 51 HD1 TRP 51 -2.682 -7.002 2.563 391 HE1 TRP 51 HE1 TRP 51 -0.172 -7.305 3.061 392 HE3 TRP 51 HE3 TRP 51 -1.468 -10.217 -1.230 393 HZ2 TRP 51 HZ2 TRP 51 2.022 -8.711 1.992 394 HZ3 TRP 51 HZ3 TRP 51 0.863 -10.988 -1.420 395 HH2 TRP 51 HH2 TRP 51 2.570 -10.250 0.160 396 H ASP 52 HN ASP 52 -6.255 -9.994 0.388 397 HA ASP 52 HA ASP 52 -7.565 -9.018 -1.835 398 HB2 ASP 52 HB2 ASP 52 -7.521 -11.400 -1.119 399 HB3 ASP 52 HB1 ASP 52 -8.730 -11.019 0.102 400 HA PRO 53 HA PRO 53 -11.412 -7.798 1.001 401 HB2 PRO 53 HB2 PRO 53 -10.503 -6.829 3.462 402 HB3 PRO 53 HB1 PRO 53 -11.318 -8.380 3.201 403 HG2 PRO 53 HG2 PRO 53 -8.423 -7.794 3.475 404 HG3 PRO 53 HG1 PRO 53 -9.360 -9.187 4.053 405 HD2 PRO 53 HD2 PRO 53 -7.787 -9.379 1.903 406 HD3 PRO 53 HD1 PRO 53 -9.350 -10.221 1.984 407 H ILE 54 HN ILE 54 -8.238 -6.284 1.485 408 HA ILE 54 HA ILE 54 -9.203 -3.616 1.563 409 HB ILE 54 HB ILE 54 -6.452 -4.616 0.808 410 HG12 ILE 54 HG12 ILE 54 -7.555 -3.618 3.443 411 HG13 ILE 54 HG11 ILE 54 -7.134 -5.285 3.067 412 HG21 ILE 54 HG21 ILE 54 -5.705 -2.334 1.342 413 HG22 ILE 54 HG22 ILE 54 -7.384 -1.853 1.589 414 HG23 ILE 54 HG23 ILE 54 -6.835 -2.355 -0.011 415 HD11 ILE 54 HD11 ILE 54 -5.416 -4.224 4.406 416 HD12 ILE 54 HD12 ILE 54 -5.220 -2.967 3.187 417 HD13 ILE 54 HD13 ILE 54 -4.798 -4.636 2.807 418 H THR 55 HN THR 55 -7.662 -5.526 -1.023 419 HA THR 55 HA THR 55 -7.799 -3.619 -3.048 420 HB THR 55 HB THR 55 -8.176 -6.554 -3.605 421 HG1 THR 55 HG1 THR 55 -6.196 -6.973 -2.902 422 HG21 THR 55 HG21 THR 55 -6.724 -6.057 -5.517 423 HG22 THR 55 HG22 THR 55 -6.579 -4.385 -4.974 424 HG23 THR 55 HG23 THR 55 -8.141 -5.005 -5.510 425 H ALA 56 HN ALA 56 -10.142 -6.120 -2.114 426 HA ALA 56 HA ALA 56 -12.027 -5.619 -4.136 427 HB1 ALA 56 HB1 ALA 56 -12.511 -6.650 -1.340 428 HB2 ALA 56 HB2 ALA 56 -12.054 -7.630 -2.734 429 HB3 ALA 56 HB3 ALA 56 -13.614 -6.803 -2.709 430 H ALA 57 HN ALA 57 -11.786 -4.357 -0.820 431 HA ALA 57 HA ALA 57 -14.088 -2.760 -0.862 432 HB1 ALA 57 HB1 ALA 57 -12.977 -3.277 1.209 433 HB2 ALA 57 HB2 ALA 57 -13.010 -1.527 1.001 434 HB3 ALA 57 HB3 ALA 57 -11.524 -2.424 0.690 435 H LEU 58 HN LEU 58 -10.719 -1.973 -1.685 436 HA LEU 58 HA LEU 58 -11.214 0.757 -2.252 437 HB2 LEU 58 HB2 LEU 58 -9.004 -1.085 -3.142 438 HB3 LEU 58 HB1 LEU 58 -9.029 0.635 -3.486 439 HG LEU 58 HG LEU 58 -8.854 -0.678 -0.772 440 HD11 LEU 58 HD11 LEU 58 -6.708 0.451 -0.647 441 HD12 LEU 58 HD12 LEU 58 -6.949 1.120 -2.258 442 HD13 LEU 58 HD13 LEU 58 -6.774 -0.622 -2.043 443 HD21 LEU 58 HD21 LEU 58 -10.264 1.226 -0.500 444 HD22 LEU 58 HD22 LEU 58 -9.207 2.226 -1.495 445 HD23 LEU 58 HD23 LEU 58 -8.660 1.661 0.084 446 H SER 59 HN SER 59 -11.285 -2.153 -4.260 447 HA SER 59 HA SER 59 -11.564 -0.829 -6.741 448 HB2 SER 59 HB2 SER 59 -12.592 -3.563 -5.930 449 HB3 SER 59 HB1 SER 59 -12.399 -2.982 -7.585 450 HG SER 59 HG SER 59 -10.354 -3.404 -5.656 451 H GLN 60 HN GLN 60 -13.904 -2.031 -4.382 452 HA GLN 60 HA GLN 60 -16.238 -1.342 -5.793 453 HB2 GLN 60 HB2 GLN 60 -16.289 -2.845 -3.870 454 HB3 GLN 60 HB1 GLN 60 -15.741 -1.550 -2.814 455 HG2 GLN 60 HG2 GLN 60 -17.858 -0.316 -3.522 456 HG3 GLN 60 HG1 GLN 60 -18.398 -1.866 -4.162 457 HE21 GLN 60 HE21 GLN 60 -16.435 -1.520 -1.280 458 HE22 GLN 60 HE22 GLN 60 -17.650 -2.038 -0.165 459 H ARG 61 HN ARG 61 -14.351 0.367 -3.348 460 HA ARG 61 HA ARG 61 -15.866 2.692 -3.124 461 HB2 ARG 61 HB2 ARG 61 -14.187 2.314 -1.518 462 HB3 ARG 61 HB1 ARG 61 -12.955 2.048 -2.737 463 HG2 ARG 61 HG2 ARG 61 -13.308 4.536 -3.319 464 HG3 ARG 61 HG1 ARG 61 -14.093 4.627 -1.738 465 HD2 ARG 61 HD2 ARG 61 -11.909 3.339 -0.980 466 HD3 ARG 61 HD1 ARG 61 -11.244 4.091 -2.426 467 HE ARG 61 HE ARG 61 -11.319 6.142 -1.384 468 HH11 ARG 61 HH11 ARG 61 -13.149 4.782 1.942 469 HH12 ARG 61 HH12 ARG 61 -13.007 3.753 0.545 470 HH21 ARG 61 HH21 ARG 61 -11.548 7.515 0.442 471 HH22 ARG 61 HH22 ARG 61 -12.330 6.916 1.871 472 H ALA 62 HN ALA 62 -13.175 1.924 -5.293 473 HA ALA 62 HA ALA 62 -12.966 4.415 -6.552 474 HB1 ALA 62 HB1 ALA 62 -12.343 1.702 -7.703 475 HB2 ALA 62 HB2 ALA 62 -11.260 2.664 -6.697 476 HB3 ALA 62 HB3 ALA 62 -11.738 3.250 -8.288 477 H MET 63 HN MET 63 -14.705 1.496 -7.627 478 HA MET 63 HA MET 63 -15.750 2.739 -9.954 479 HB2 MET 63 HB2 MET 63 -16.899 0.733 -10.356 480 HB3 MET 63 HB1 MET 63 -15.425 0.253 -9.527 481 HG2 MET 63 HG2 MET 63 -16.639 0.011 -7.443 482 HG3 MET 63 HG1 MET 63 -18.120 0.565 -8.218 483 HE1 MET 63 HE1 MET 63 -15.274 -1.931 -9.357 484 HE2 MET 63 HE2 MET 63 -16.040 -3.474 -8.978 485 HE3 MET 63 HE3 MET 63 -15.621 -2.354 -7.681 486 H ILE 64 HN ILE 64 -16.761 2.886 -6.674 487 HA ILE 64 HA ILE 64 -19.482 3.625 -7.452 488 HB ILE 64 HB ILE 64 -18.249 3.055 -4.762 489 HG12 ILE 64 HG12 ILE 64 -20.485 1.806 -6.371 490 HG13 ILE 64 HG11 ILE 64 -18.901 1.109 -6.051 491 HG21 ILE 64 HG21 ILE 64 -20.260 3.671 -3.660 492 HG22 ILE 64 HG22 ILE 64 -21.098 3.927 -5.189 493 HG23 ILE 64 HG23 ILE 64 -19.821 5.035 -4.691 494 HD11 ILE 64 HD11 ILE 64 -21.073 1.633 -4.034 495 HD12 ILE 64 HD12 ILE 64 -19.467 1.011 -3.653 496 HD13 ILE 64 HD13 ILE 64 -20.564 0.064 -4.658 497 H LEU 65 HN LEU 65 -16.725 5.004 -5.666 498 HA LEU 65 HA LEU 65 -18.042 7.544 -5.370 499 HB2 LEU 65 HB2 LEU 65 -15.440 6.384 -4.576 500 HB3 LEU 65 HB1 LEU 65 -15.493 8.125 -4.772 501 HG LEU 65 HG LEU 65 -17.414 8.177 -3.164 502 HD11 LEU 65 HD11 LEU 65 -16.656 5.295 -2.727 503 HD12 LEU 65 HD12 LEU 65 -18.170 5.878 -3.419 504 HD13 LEU 65 HD13 LEU 65 -17.774 6.231 -1.736 505 HD21 LEU 65 HD21 LEU 65 -16.003 7.800 -1.172 506 HD22 LEU 65 HD22 LEU 65 -15.188 8.736 -2.424 507 HD23 LEU 65 HD23 LEU 65 -14.799 7.031 -2.202 508 H GLY 66 HN GLY 66 -15.819 6.131 -7.659 509 HA2 GLY 66 HA2 GLY 66 -15.524 6.963 -9.844 510 HA3 GLY 66 HA1 GLY 66 -16.099 8.534 -9.309 511 H LYS 67 HN LYS 67 -13.716 6.884 -7.427 512 HA LYS 67 HA LYS 67 -11.548 8.416 -8.651 513 HB2 LYS 67 HB2 LYS 67 -10.748 9.228 -6.505 514 HB3 LYS 67 HB1 LYS 67 -12.392 9.788 -6.774 515 HG2 LYS 67 HG2 LYS 67 -13.265 8.458 -5.117 516 HG3 LYS 67 HG1 LYS 67 -11.950 7.288 -5.218 517 HD2 LYS 67 HD2 LYS 67 -11.394 8.333 -3.259 518 HD3 LYS 67 HD1 LYS 67 -10.514 9.345 -4.404 519 HE2 LYS 67 HE2 LYS 67 -13.285 9.975 -3.404 520 HE3 LYS 67 HE1 LYS 67 -11.814 10.594 -2.660 521 HZ1 LYS 67 HZ1 LYS 67 -11.252 11.616 -4.806 522 HZ2 LYS 67 HZ2 LYS 67 -12.702 12.211 -4.172 523 HZ3 LYS 67 HZ3 LYS 67 -12.735 11.094 -5.437 524 H SER 68 HN SER 68 -9.661 7.297 -8.720 525 HA SER 68 HA SER 68 -9.578 4.759 -7.225 526 HB2 SER 68 HB2 SER 68 -8.113 4.945 -9.804 527 HB3 SER 68 HB1 SER 68 -8.976 3.581 -9.092 528 HG SER 68 HG SER 68 -10.920 4.501 -9.743 529 H GLY 69 HN GLY 69 -8.437 7.481 -6.674 530 HA2 GLY 69 HA2 GLY 69 -5.679 7.571 -7.133 531 HA3 GLY 69 HA1 GLY 69 -6.509 8.372 -5.809 532 H GLU 70 HN GLU 70 -7.405 6.420 -4.243 533 HA GLU 70 HA GLU 70 -5.090 5.537 -2.882 534 HB2 GLU 70 HB2 GLU 70 -7.898 4.467 -2.539 535 HB3 GLU 70 HB1 GLU 70 -6.606 4.461 -1.349 536 HG2 GLU 70 HG2 GLU 70 -7.689 6.261 -0.562 537 HG3 GLU 70 HG1 GLU 70 -6.782 7.101 -1.819 538 H LEU 71 HN LEU 71 -7.186 4.041 -5.232 539 HA LEU 71 HA LEU 71 -6.351 1.358 -4.843 540 HB2 LEU 71 HB2 LEU 71 -8.392 2.414 -6.154 541 HB3 LEU 71 HB1 LEU 71 -7.283 2.329 -7.509 542 HG LEU 71 HG LEU 71 -7.890 -0.096 -5.831 543 HD11 LEU 71 HD11 LEU 71 -10.026 0.721 -6.585 544 HD12 LEU 71 HD12 LEU 71 -9.573 -0.703 -7.525 545 HD13 LEU 71 HD13 LEU 71 -9.414 0.908 -8.227 546 HD21 LEU 71 HD21 LEU 71 -5.958 -0.254 -7.293 547 HD22 LEU 71 HD22 LEU 71 -6.926 0.279 -8.668 548 HD23 LEU 71 HD23 LEU 71 -7.261 -1.274 -7.898 549 H LYS 72 HN LYS 72 -5.228 3.981 -6.923 550 HA LYS 72 HA LYS 72 -3.459 2.501 -8.512 551 HB2 LYS 72 HB2 LYS 72 -3.428 5.389 -7.647 552 HB3 LYS 72 HB1 LYS 72 -2.254 4.725 -8.773 553 HG2 LYS 72 HG2 LYS 72 -4.723 3.929 -9.774 554 HG3 LYS 72 HG1 LYS 72 -4.962 5.593 -9.237 555 HD2 LYS 72 HD2 LYS 72 -2.663 4.728 -10.978 556 HD3 LYS 72 HD1 LYS 72 -4.199 5.312 -11.622 557 HE2 LYS 72 HE2 LYS 72 -3.897 7.432 -10.490 558 HE3 LYS 72 HE1 LYS 72 -2.410 6.849 -9.745 559 HZ1 LYS 72 HZ1 LYS 72 -2.815 7.097 -12.674 560 HZ2 LYS 72 HZ2 LYS 72 -1.369 6.730 -11.878 561 HZ3 LYS 72 HZ3 LYS 72 -2.054 8.269 -11.721 562 H THR 73 HN THR 73 -2.923 4.205 -5.448 563 HA THR 73 HA THR 73 -0.180 3.604 -5.231 564 HB THR 73 HB THR 73 -1.951 3.935 -2.829 565 HG1 THR 73 HG1 THR 73 -1.065 6.075 -4.508 566 HG21 THR 73 HG21 THR 73 0.765 5.065 -3.515 567 HG22 THR 73 HG22 THR 73 0.495 3.610 -2.557 568 HG23 THR 73 HG23 THR 73 -0.061 5.172 -1.960 569 H TRP 74 HN TRP 74 -3.077 2.010 -3.942 570 HA TRP 74 HA TRP 74 -1.785 0.006 -2.478 571 HB2 TRP 74 HB2 TRP 74 -4.131 0.477 -2.128 572 HB3 TRP 74 HB1 TRP 74 -4.511 0.011 -3.782 573 HD1 TRP 74 HD1 TRP 74 -5.494 -2.344 -3.966 574 HE1 TRP 74 HE1 TRP 74 -5.355 -4.526 -2.600 575 HE3 TRP 74 HE3 TRP 74 -2.207 -0.828 -0.360 576 HZ2 TRP 74 HZ2 TRP 74 -4.023 -5.470 -0.301 577 HZ3 TRP 74 HZ3 TRP 74 -1.547 -2.430 1.382 578 HH2 TRP 74 HH2 TRP 74 -2.438 -4.706 1.411 579 H GLY 75 HN GLY 75 -2.985 0.009 -5.821 580 HA2 GLY 75 HA2 GLY 75 -2.484 -2.650 -6.466 581 HA3 GLY 75 HA1 GLY 75 -2.439 -1.325 -7.616 582 H LEU 76 HN LEU 76 -0.277 0.106 -6.583 583 HA LEU 76 HA LEU 76 1.891 -1.330 -7.721 584 HB2 LEU 76 HB2 LEU 76 1.909 1.196 -6.067 585 HB3 LEU 76 HB1 LEU 76 3.254 0.595 -7.018 586 HG LEU 76 HG LEU 76 0.605 1.304 -8.258 587 HD11 LEU 76 HD11 LEU 76 1.429 3.290 -7.144 588 HD12 LEU 76 HD12 LEU 76 1.633 3.446 -8.887 589 HD13 LEU 76 HD13 LEU 76 3.020 3.065 -7.869 590 HD21 LEU 76 HD21 LEU 76 3.387 1.007 -9.382 591 HD22 LEU 76 HD22 LEU 76 1.956 1.484 -10.294 592 HD23 LEU 76 HD23 LEU 76 2.056 -0.128 -9.587 593 H VAL 77 HN VAL 77 1.079 -0.423 -4.383 594 HA VAL 77 HA VAL 77 3.370 -1.527 -3.170 595 HB VAL 77 HB VAL 77 0.601 -1.084 -2.031 596 HG11 VAL 77 HG11 VAL 77 1.747 -2.731 -0.684 597 HG12 VAL 77 HG12 VAL 77 1.699 -1.193 0.180 598 HG13 VAL 77 HG13 VAL 77 3.186 -1.715 -0.612 599 HG21 VAL 77 HG21 VAL 77 1.747 0.944 -2.826 600 HG22 VAL 77 HG22 VAL 77 3.113 0.566 -1.778 601 HG23 VAL 77 HG23 VAL 77 1.539 0.937 -1.076 602 H LEU 78 HN LEU 78 0.143 -2.856 -3.755 603 HA LEU 78 HA LEU 78 0.501 -5.345 -2.532 604 HB2 LEU 78 HB2 LEU 78 -1.683 -4.512 -3.159 605 HB3 LEU 78 HB1 LEU 78 -1.239 -4.523 -4.854 606 HG LEU 78 HG LEU 78 -1.043 -7.013 -4.720 607 HD11 LEU 78 HD11 LEU 78 -2.240 -6.565 -1.994 608 HD12 LEU 78 HD12 LEU 78 -0.673 -7.286 -2.361 609 HD13 LEU 78 HD13 LEU 78 -2.154 -8.122 -2.816 610 HD21 LEU 78 HD21 LEU 78 -3.030 -5.955 -5.631 611 HD22 LEU 78 HD22 LEU 78 -3.716 -5.808 -4.015 612 HD23 LEU 78 HD23 LEU 78 -3.465 -7.403 -4.724 613 H GLY 79 HN GLY 79 1.175 -4.254 -5.829 614 HA2 GLY 79 HA2 GLY 79 1.825 -6.755 -6.943 615 HA3 GLY 79 HA1 GLY 79 2.383 -5.198 -7.536 616 H ALA 80 HN ALA 80 3.844 -4.338 -5.338 617 HA ALA 80 HA ALA 80 6.289 -5.722 -5.758 618 HB1 ALA 80 HB1 ALA 80 5.537 -3.533 -3.831 619 HB2 ALA 80 HB2 ALA 80 6.364 -3.368 -5.376 620 HB3 ALA 80 HB3 ALA 80 7.174 -4.154 -4.022 621 H LEU 81 HN LEU 81 4.052 -5.512 -3.008 622 HA LEU 81 HA LEU 81 5.607 -7.080 -1.249 623 HB2 LEU 81 HB2 LEU 81 3.084 -5.769 -1.222 624 HB3 LEU 81 HB1 LEU 81 2.853 -7.408 -0.651 625 HG LEU 81 HG LEU 81 4.873 -5.477 0.489 626 HD11 LEU 81 HD11 LEU 81 2.164 -6.269 1.550 627 HD12 LEU 81 HD12 LEU 81 2.615 -4.685 0.924 628 HD13 LEU 81 HD13 LEU 81 3.358 -5.295 2.402 629 HD21 LEU 81 HD21 LEU 81 3.953 -8.213 1.350 630 HD22 LEU 81 HD22 LEU 81 4.915 -7.129 2.355 631 HD23 LEU 81 HD23 LEU 81 5.570 -7.736 0.836 632 H LYS 82 HN LYS 82 3.106 -7.902 -3.603 633 HA LYS 82 HA LYS 82 2.770 -10.593 -2.872 634 HB2 LYS 82 HB2 LYS 82 2.015 -8.902 -5.105 635 HB3 LYS 82 HB1 LYS 82 2.454 -10.516 -5.647 636 HG2 LYS 82 HG2 LYS 82 0.887 -11.347 -3.796 637 HG3 LYS 82 HG1 LYS 82 0.273 -9.693 -3.773 638 HD2 LYS 82 HD2 LYS 82 0.463 -11.280 -6.316 639 HD3 LYS 82 HD1 LYS 82 -0.940 -11.391 -5.254 640 HE2 LYS 82 HE2 LYS 82 -1.310 -8.993 -5.468 641 HE3 LYS 82 HE1 LYS 82 0.121 -8.851 -6.489 642 HZ1 LYS 82 HZ1 LYS 82 -2.266 -10.487 -7.157 643 HZ2 LYS 82 HZ2 LYS 82 -0.932 -10.199 -8.155 644 HZ3 LYS 82 HZ3 LYS 82 -1.977 -8.931 -7.754 645 H ALA 83 HN ALA 83 5.073 -9.020 -5.027 646 HA ALA 83 HA ALA 83 6.263 -11.435 -5.972 647 HB1 ALA 83 HB1 ALA 83 7.392 -8.634 -5.971 648 HB2 ALA 83 HB2 ALA 83 6.378 -9.329 -7.235 649 HB3 ALA 83 HB3 ALA 83 7.978 -9.998 -6.923 650 H ALA 84 HN ALA 84 6.876 -9.241 -3.310 651 HA ALA 84 HA ALA 84 9.418 -10.206 -2.554 652 HB1 ALA 84 HB1 ALA 84 8.985 -9.112 -0.403 653 HB2 ALA 84 HB2 ALA 84 7.287 -8.921 -0.844 654 HB3 ALA 84 HB3 ALA 84 8.536 -8.073 -1.757 655 H ARG 85 HN ARG 85 6.133 -11.140 -1.624 656 HA ARG 85 HA ARG 85 7.186 -13.240 0.099 657 HB2 ARG 85 HB2 ARG 85 4.572 -11.896 -0.233 658 HB3 ARG 85 HB1 ARG 85 4.516 -13.594 0.223 659 HG2 ARG 85 HG2 ARG 85 6.141 -12.986 2.084 660 HG3 ARG 85 HG1 ARG 85 5.762 -11.305 1.714 661 HD2 ARG 85 HD2 ARG 85 3.561 -11.514 2.398 662 HD3 ARG 85 HD1 ARG 85 3.560 -13.265 2.203 663 HE ARG 85 HE ARG 85 4.734 -11.765 4.444 664 HH11 ARG 85 HH11 ARG 85 3.929 -15.703 4.485 665 HH12 ARG 85 HH12 ARG 85 3.766 -14.809 3.006 666 HH21 ARG 85 HH21 ARG 85 4.979 -12.941 6.381 667 HH22 ARG 85 HH22 ARG 85 4.625 -14.640 6.404 668 H GLU 86 HN GLU 86 7.154 -13.144 -2.991 669 HA GLU 86 HA GLU 86 5.805 -15.722 -3.420 670 HB2 GLU 86 HB2 GLU 86 5.365 -13.589 -4.873 671 HB3 GLU 86 HB1 GLU 86 6.888 -14.022 -5.637 672 HG2 GLU 86 HG2 GLU 86 5.977 -16.214 -6.207 673 HG3 GLU 86 HG1 GLU 86 4.446 -15.772 -5.453 674 H GLU 87 HN GLU 87 8.668 -14.677 -2.485 675 HA GLU 87 HA GLU 87 10.156 -16.680 -4.044 676 HB2 GLU 87 HB2 GLU 87 11.039 -13.997 -2.995 677 HB3 GLU 87 HB1 GLU 87 12.188 -15.250 -3.443 678 HG2 GLU 87 HG2 GLU 87 10.773 -15.231 -5.677 679 HG3 GLU 87 HG1 GLU 87 10.435 -13.582 -5.150 680 H1 IHP 101 H37 IHP 0 14.599 10.172 1.593 681 H2 IHP 101 H38 IHP 0 13.061 10.882 3.392 682 H3 IHP 101 H39 IHP 0 12.972 11.996 1.194 683 H4 IHP 101 H40 IHP 0 10.791 9.930 0.596 684 H5 IHP 101 H41 IHP 0 13.532 10.424 -0.650 685 H6 IHP 101 H42 IHP 0 12.446 8.092 1.027 Start of MODEL 8 1 H1 SER 1 HT1 SER 1 3.011 5.739 8.684 2 H2 SER 1 HT2 SER 1 1.896 5.383 9.902 3 H3 SER 1 HT3 SER 1 3.068 4.243 9.474 4 HA SER 1 HA SER 1 3.324 6.677 11.055 5 HB2 SER 1 HB2 SER 1 5.060 4.890 12.072 6 HB3 SER 1 HB1 SER 1 3.342 4.893 12.481 7 HG SER 1 HG SER 1 4.155 2.814 11.827 8 H GLU 2 HN GLU 2 6.058 4.564 10.444 9 HA GLU 2 HA GLU 2 7.220 6.360 8.502 10 HB2 GLU 2 HB2 GLU 2 9.280 6.655 10.065 11 HB3 GLU 2 HB1 GLU 2 7.889 7.712 10.239 12 HG2 GLU 2 HG2 GLU 2 7.100 6.166 12.077 13 HG3 GLU 2 HG1 GLU 2 8.684 5.398 11.985 14 H ALA 3 HN ALA 3 8.394 3.984 10.910 15 HA ALA 3 HA ALA 3 10.427 2.916 9.356 16 HB1 ALA 3 HB1 ALA 3 10.470 1.070 10.871 17 HB2 ALA 3 HB2 ALA 3 8.815 1.388 11.388 18 HB3 ALA 3 HB3 ALA 3 10.099 2.530 11.789 19 H VAL 4 HN VAL 4 7.062 1.817 9.631 20 HA VAL 4 HA VAL 4 7.262 -0.453 8.019 21 HB VAL 4 HB VAL 4 4.842 1.343 8.295 22 HG11 VAL 4 HG11 VAL 4 4.629 -0.268 6.482 23 HG12 VAL 4 HG12 VAL 4 3.571 -0.701 7.823 24 HG13 VAL 4 HG13 VAL 4 5.081 -1.576 7.571 25 HG21 VAL 4 HG21 VAL 4 5.727 0.682 10.477 26 HG22 VAL 4 HG22 VAL 4 5.706 -1.010 9.979 27 HG23 VAL 4 HG23 VAL 4 4.192 -0.120 10.145 28 H ILE 5 HN ILE 5 7.022 2.924 7.152 29 HA ILE 5 HA ILE 5 6.245 2.558 4.456 30 HB ILE 5 HB ILE 5 7.832 4.834 5.660 31 HG12 ILE 5 HG12 ILE 5 4.868 4.613 5.092 32 HG13 ILE 5 HG11 ILE 5 5.595 4.477 6.689 33 HG21 ILE 5 HG21 ILE 5 6.310 4.703 3.055 34 HG22 ILE 5 HG22 ILE 5 8.066 4.716 3.226 35 HG23 ILE 5 HG23 ILE 5 7.123 6.124 3.712 36 HD11 ILE 5 HD11 ILE 5 6.388 6.777 6.517 37 HD12 ILE 5 HD12 ILE 5 4.639 6.674 6.333 38 HD13 ILE 5 HD13 ILE 5 5.661 6.907 4.915 39 H LYS 6 HN LYS 6 9.404 2.944 6.016 40 HA LYS 6 HA LYS 6 10.974 2.827 3.688 41 HB2 LYS 6 HB2 LYS 6 11.787 1.902 6.445 42 HB3 LYS 6 HB1 LYS 6 12.847 2.445 5.154 43 HG2 LYS 6 HG2 LYS 6 10.899 4.112 6.728 44 HG3 LYS 6 HG1 LYS 6 12.663 4.184 6.778 45 HD2 LYS 6 HD2 LYS 6 11.012 4.769 4.324 46 HD3 LYS 6 HD1 LYS 6 11.588 5.998 5.446 47 HE2 LYS 6 HE2 LYS 6 13.890 5.391 4.968 48 HE3 LYS 6 HE1 LYS 6 13.350 4.084 3.920 49 HZ1 LYS 6 HZ1 LYS 6 12.628 5.566 2.314 50 HZ2 LYS 6 HZ2 LYS 6 14.044 6.299 2.867 51 HZ3 LYS 6 HZ3 LYS 6 12.543 6.868 3.386 52 H VAL 7 HN VAL 7 9.818 0.281 5.841 53 HA VAL 7 HA VAL 7 11.355 -1.835 4.864 54 HB VAL 7 HB VAL 7 8.532 -2.023 5.919 55 HG11 VAL 7 HG11 VAL 7 10.764 -4.053 5.876 56 HG12 VAL 7 HG12 VAL 7 9.316 -4.081 4.870 57 HG13 VAL 7 HG13 VAL 7 9.180 -4.275 6.617 58 HG21 VAL 7 HG21 VAL 7 9.889 -0.776 7.481 59 HG22 VAL 7 HG22 VAL 7 11.161 -1.993 7.399 60 HG23 VAL 7 HG23 VAL 7 9.601 -2.394 8.117 61 H ILE 8 HN ILE 8 8.455 -0.371 3.528 62 HA ILE 8 HA ILE 8 8.380 -2.484 1.479 63 HB ILE 8 HB ILE 8 6.239 -0.425 1.953 64 HG12 ILE 8 HG12 ILE 8 6.600 -1.737 4.019 65 HG13 ILE 8 HG11 ILE 8 5.041 -2.085 3.282 66 HG21 ILE 8 HG21 ILE 8 4.843 -2.171 0.832 67 HG22 ILE 8 HG22 ILE 8 6.333 -3.056 0.497 68 HG23 ILE 8 HG23 ILE 8 6.088 -1.452 -0.188 69 HD11 ILE 8 HD11 ILE 8 5.994 -4.128 4.048 70 HD12 ILE 8 HD12 ILE 8 7.509 -3.795 3.212 71 HD13 ILE 8 HD13 ILE 8 6.046 -4.128 2.285 72 H SER 9 HN SER 9 8.684 1.002 1.906 73 HA SER 9 HA SER 9 8.350 1.828 -0.731 74 HB2 SER 9 HB2 SER 9 8.485 3.419 1.135 75 HB3 SER 9 HB1 SER 9 10.187 3.021 1.367 76 HG SER 9 HG SER 9 9.195 4.874 -0.195 77 H SER 10 HN SER 10 11.436 1.066 0.917 78 HA SER 10 HA SER 10 13.040 1.341 -1.358 79 HB2 SER 10 HB2 SER 10 13.717 -0.663 0.765 80 HB3 SER 10 HB1 SER 10 14.770 0.488 -0.058 81 HG SER 10 HG SER 10 13.643 2.160 1.110 82 H ALA 11 HN ALA 11 11.011 -1.276 -0.265 83 HA ALA 11 HA ALA 11 12.151 -3.301 -1.904 84 HB1 ALA 11 HB1 ALA 11 9.374 -3.192 -0.734 85 HB2 ALA 11 HB2 ALA 11 10.806 -3.781 0.110 86 HB3 ALA 11 HB3 ALA 11 10.219 -4.626 -1.321 87 H CYS 12 HN CYS 12 9.172 -1.345 -2.209 88 HA CYS 12 HA CYS 12 8.489 -2.355 -4.747 89 HB2 CYS 12 HB2 CYS 12 6.946 -0.466 -4.923 90 HB3 CYS 12 HB1 CYS 12 6.866 -1.186 -3.320 91 HG CYS 12 HG CYS 12 8.868 0.957 -2.541 92 H LYS 13 HN LYS 13 10.567 0.296 -3.753 93 HA LYS 13 HA LYS 13 10.891 1.343 -6.390 94 HB2 LYS 13 HB2 LYS 13 12.388 1.787 -3.815 95 HB3 LYS 13 HB1 LYS 13 12.837 2.579 -5.321 96 HG2 LYS 13 HG2 LYS 13 10.638 3.610 -5.452 97 HG3 LYS 13 HG1 LYS 13 10.153 2.790 -3.970 98 HD2 LYS 13 HD2 LYS 13 11.876 3.986 -2.731 99 HD3 LYS 13 HD1 LYS 13 12.400 4.785 -4.214 100 HE2 LYS 13 HE2 LYS 13 10.082 5.724 -4.411 101 HE3 LYS 13 HE1 LYS 13 9.756 5.082 -2.801 102 HZ1 LYS 13 HZ1 LYS 13 11.560 6.442 -1.942 103 HZ2 LYS 13 HZ2 LYS 13 10.405 7.400 -2.716 104 HZ3 LYS 13 HZ3 LYS 13 11.865 7.052 -3.484 105 H THR 14 HN THR 14 11.865 -1.495 -5.123 106 HA THR 14 HA THR 14 14.336 -1.592 -6.713 107 HB THR 14 HB THR 14 13.345 -3.485 -4.564 108 HG1 THR 14 HG1 THR 14 14.113 -1.575 -3.658 109 HG21 THR 14 HG21 THR 14 15.991 -3.468 -6.020 110 HG22 THR 14 HG22 THR 14 14.682 -4.610 -6.320 111 HG23 THR 14 HG23 THR 14 15.494 -4.590 -4.753 112 H TYR 15 HN TYR 15 11.229 -3.181 -6.145 113 HA TYR 15 HA TYR 15 11.605 -5.109 -8.244 114 HB2 TYR 15 HB2 TYR 15 9.190 -4.302 -6.620 115 HB3 TYR 15 HB1 TYR 15 9.133 -5.543 -7.868 116 HD1 TYR 15 HD1 TYR 15 9.558 -4.961 -4.439 117 HD2 TYR 15 HD2 TYR 15 10.968 -7.448 -7.592 118 HE1 TYR 15 HE1 TYR 15 10.266 -6.643 -2.791 119 HE2 TYR 15 HE2 TYR 15 11.682 -9.131 -5.951 120 HH TYR 15 HH TYR 15 12.199 -9.389 -3.677 121 H CYS 16 HN CYS 16 9.721 -2.129 -7.849 122 HA CYS 16 HA CYS 16 8.974 -2.204 -10.671 123 HB2 CYS 16 HB2 CYS 16 8.216 -0.118 -8.621 124 HB3 CYS 16 HB1 CYS 16 7.422 -0.455 -10.156 125 HG CYS 16 HG CYS 16 6.445 -2.960 -9.347 126 H GLY 17 HN GLY 17 10.644 -0.063 -8.372 127 HA2 GLY 17 HA2 GLY 17 12.747 0.943 -9.046 128 HA3 GLY 17 HA1 GLY 17 12.099 1.073 -10.673 129 H LYS 18 HN LYS 18 11.718 3.117 -11.204 130 HA LYS 18 HA LYS 18 11.179 5.070 -9.120 131 HB2 LYS 18 HB2 LYS 18 11.434 6.744 -10.867 132 HB3 LYS 18 HB1 LYS 18 12.778 5.613 -10.901 133 HG2 LYS 18 HG2 LYS 18 10.828 4.594 -12.658 134 HG3 LYS 18 HG1 LYS 18 10.965 6.323 -12.988 135 HD2 LYS 18 HD2 LYS 18 13.317 4.446 -12.803 136 HD3 LYS 18 HD1 LYS 18 12.523 4.882 -14.315 137 HE2 LYS 18 HE2 LYS 18 13.124 7.182 -14.040 138 HE3 LYS 18 HE1 LYS 18 13.720 6.884 -12.408 139 HZ1 LYS 18 HZ1 LYS 18 15.592 7.002 -13.804 140 HZ2 LYS 18 HZ2 LYS 18 14.906 5.986 -14.970 141 HZ3 LYS 18 HZ3 LYS 18 15.385 5.356 -13.476 142 H THR 19 HN THR 19 9.382 3.033 -11.028 143 HA THR 19 HA THR 19 7.138 4.705 -11.592 144 HB THR 19 HB THR 19 6.568 1.848 -11.366 145 HG1 THR 19 HG1 THR 19 8.174 2.018 -13.500 146 HG21 THR 19 HG21 THR 19 5.870 2.159 -13.700 147 HG22 THR 19 HG22 THR 19 6.573 3.774 -13.693 148 HG23 THR 19 HG23 THR 19 5.196 3.405 -12.652 149 H SER 20 HN SER 20 8.315 3.222 -8.809 150 HA SER 20 HA SER 20 5.933 2.559 -7.450 151 HB2 SER 20 HB2 SER 20 8.354 3.459 -5.958 152 HB3 SER 20 HB1 SER 20 7.328 2.047 -5.688 153 HG SER 20 HG SER 20 9.582 2.316 -7.228 154 HA PRO 21 HA PRO 21 4.502 6.553 -6.218 155 HB2 PRO 21 HB2 PRO 21 3.102 5.944 -3.987 156 HB3 PRO 21 HB1 PRO 21 2.572 5.417 -5.598 157 HG2 PRO 21 HG2 PRO 21 3.979 3.874 -3.482 158 HG3 PRO 21 HG1 PRO 21 2.658 3.374 -4.554 159 HD2 PRO 21 HD2 PRO 21 5.280 2.734 -4.981 160 HD3 PRO 21 HD1 PRO 21 4.069 2.858 -6.269 161 H SER 22 HN SER 22 4.949 8.265 -4.890 162 HA SER 22 HA SER 22 7.283 8.067 -3.250 163 HB2 SER 22 HB2 SER 22 6.526 10.560 -2.780 164 HB3 SER 22 HB1 SER 22 7.205 10.102 -4.342 165 HG SER 22 HG SER 22 5.306 10.342 -5.267 166 H LYS 23 HN LYS 23 7.359 8.886 -1.017 167 HA LYS 23 HA LYS 23 5.679 7.455 0.678 168 HB2 LYS 23 HB2 LYS 23 7.898 8.208 1.357 169 HB3 LYS 23 HB1 LYS 23 7.368 9.885 1.293 170 HG2 LYS 23 HG2 LYS 23 5.789 8.129 3.050 171 HG3 LYS 23 HG1 LYS 23 7.457 8.418 3.551 172 HD2 LYS 23 HD2 LYS 23 5.782 10.736 2.708 173 HD3 LYS 23 HD1 LYS 23 5.511 10.024 4.297 174 HE2 LYS 23 HE2 LYS 23 7.090 11.907 4.360 175 HE3 LYS 23 HE1 LYS 23 7.810 10.397 4.904 176 HZ1 LYS 23 HZ1 LYS 23 8.116 11.318 2.111 177 HZ2 LYS 23 HZ2 LYS 23 9.054 10.204 2.971 178 HZ3 LYS 23 HZ3 LYS 23 9.154 11.845 3.335 179 H LYS 24 HN LYS 24 5.357 10.691 -0.599 180 HA LYS 24 HA LYS 24 3.468 11.746 1.157 181 HB2 LYS 24 HB2 LYS 24 4.014 12.204 -1.764 182 HB3 LYS 24 HB1 LYS 24 2.683 13.018 -0.962 183 HG2 LYS 24 HG2 LYS 24 4.365 14.577 -0.817 184 HG3 LYS 24 HG1 LYS 24 4.486 13.763 0.743 185 HD2 LYS 24 HD2 LYS 24 6.300 12.368 -0.142 186 HD3 LYS 24 HD1 LYS 24 6.185 13.207 -1.690 187 HE2 LYS 24 HE2 LYS 24 6.752 15.316 -0.582 188 HE3 LYS 24 HE1 LYS 24 6.876 14.474 0.960 189 HZ1 LYS 24 HZ1 LYS 24 8.586 14.044 -1.425 190 HZ2 LYS 24 HZ2 LYS 24 8.659 13.116 -0.018 191 HZ3 LYS 24 HZ3 LYS 24 9.050 14.756 0.036 192 H GLU 25 HN GLU 25 3.046 9.656 -1.660 193 HA GLU 25 HA GLU 25 0.170 9.665 -1.444 194 HB2 GLU 25 HB2 GLU 25 1.800 9.236 -3.526 195 HB3 GLU 25 HB1 GLU 25 1.580 7.570 -3.007 196 HG2 GLU 25 HG2 GLU 25 -0.836 7.816 -3.204 197 HG3 GLU 25 HG1 GLU 25 -0.626 9.490 -3.713 198 H ILE 26 HN ILE 26 2.835 7.609 -0.479 199 HA ILE 26 HA ILE 26 1.345 5.322 0.252 200 HB ILE 26 HB ILE 26 3.984 6.285 1.381 201 HG12 ILE 26 HG12 ILE 26 3.447 4.305 -0.846 202 HG13 ILE 26 HG11 ILE 26 3.930 5.978 -1.102 203 HG21 ILE 26 HG21 ILE 26 3.033 4.631 2.836 204 HG22 ILE 26 HG22 ILE 26 4.327 3.876 1.908 205 HG23 ILE 26 HG23 ILE 26 2.644 3.585 1.471 206 HD11 ILE 26 HD11 ILE 26 5.791 4.377 -1.298 207 HD12 ILE 26 HD12 ILE 26 5.557 3.942 0.395 208 HD13 ILE 26 HD13 ILE 26 6.044 5.580 -0.033 209 H GLY 27 HN GLY 27 2.441 8.146 2.098 210 HA2 GLY 27 HA2 GLY 27 1.521 7.380 4.628 211 HA3 GLY 27 HA1 GLY 27 1.734 9.038 4.086 212 H ALA 28 HN ALA 28 -0.165 9.050 2.005 213 HA ALA 28 HA ALA 28 -2.514 9.627 3.456 214 HB1 ALA 28 HB1 ALA 28 -1.904 10.686 1.304 215 HB2 ALA 28 HB2 ALA 28 -3.547 10.047 1.320 216 HB3 ALA 28 HB3 ALA 28 -2.266 9.165 0.489 217 H MET 29 HN MET 29 -1.574 6.910 1.415 218 HA MET 29 HA MET 29 -4.027 5.521 1.544 219 HB2 MET 29 HB2 MET 29 -2.250 5.079 -0.134 220 HB3 MET 29 HB1 MET 29 -1.258 4.376 1.135 221 HG2 MET 29 HG2 MET 29 -3.135 2.736 1.522 222 HG3 MET 29 HG1 MET 29 -3.854 3.343 0.033 223 HE1 MET 29 HE1 MET 29 -0.019 2.656 0.971 224 HE2 MET 29 HE2 MET 29 0.103 1.002 0.370 225 HE3 MET 29 HE3 MET 29 -0.989 1.379 1.700 226 H LEU 30 HN LEU 30 -1.115 5.423 3.546 227 HA LEU 30 HA LEU 30 -1.787 3.206 5.119 228 HB2 LEU 30 HB2 LEU 30 0.130 5.398 5.238 229 HB3 LEU 30 HB1 LEU 30 -0.399 4.883 6.827 230 HG LEU 30 HG LEU 30 0.302 2.583 6.321 231 HD11 LEU 30 HD11 LEU 30 1.156 3.770 3.693 232 HD12 LEU 30 HD12 LEU 30 -0.003 2.468 3.965 233 HD13 LEU 30 HD13 LEU 30 1.708 2.208 4.297 234 HD21 LEU 30 HD21 LEU 30 2.717 2.978 6.309 235 HD22 LEU 30 HD22 LEU 30 1.877 4.069 7.411 236 HD23 LEU 30 HD23 LEU 30 2.436 4.656 5.844 237 H SER 31 HN SER 31 -2.463 6.661 5.625 238 HA SER 31 HA SER 31 -3.830 6.301 8.076 239 HB2 SER 31 HB2 SER 31 -4.157 8.530 6.053 240 HB3 SER 31 HB1 SER 31 -4.616 8.589 7.756 241 HG SER 31 HG SER 31 -2.273 8.057 8.109 242 H LEU 32 HN LEU 32 -4.842 6.276 4.718 243 HA LEU 32 HA LEU 32 -7.628 6.271 5.132 244 HB2 LEU 32 HB2 LEU 32 -6.251 6.611 2.971 245 HB3 LEU 32 HB1 LEU 32 -6.245 4.863 2.863 246 HG LEU 32 HG LEU 32 -8.003 6.174 1.519 247 HD11 LEU 32 HD11 LEU 32 -8.024 3.747 1.774 248 HD12 LEU 32 HD12 LEU 32 -9.657 4.419 1.788 249 HD13 LEU 32 HD13 LEU 32 -8.899 3.917 3.299 250 HD21 LEU 32 HD21 LEU 32 -10.007 6.808 2.623 251 HD22 LEU 32 HD22 LEU 32 -8.672 7.597 3.462 252 HD23 LEU 32 HD23 LEU 32 -9.436 6.172 4.163 253 H LEU 33 HN LEU 33 -5.224 3.705 4.941 254 HA LEU 33 HA LEU 33 -7.069 1.550 5.047 255 HB2 LEU 33 HB2 LEU 33 -4.125 1.672 5.665 256 HB3 LEU 33 HB1 LEU 33 -5.057 0.187 5.604 257 HG LEU 33 HG LEU 33 -4.582 2.075 3.298 258 HD11 LEU 33 HD11 LEU 33 -3.271 0.246 2.365 259 HD12 LEU 33 HD12 LEU 33 -3.543 -0.705 3.825 260 HD13 LEU 33 HD13 LEU 33 -2.604 0.789 3.905 261 HD21 LEU 33 HD21 LEU 33 -6.153 -0.487 3.482 262 HD22 LEU 33 HD22 LEU 33 -5.631 0.236 1.961 263 HD23 LEU 33 HD23 LEU 33 -6.742 1.108 3.018 264 H GLN 34 HN GLN 34 -6.117 3.732 7.446 265 HA GLN 34 HA GLN 34 -6.841 1.787 9.539 266 HB2 GLN 34 HB2 GLN 34 -5.000 4.160 9.603 267 HB3 GLN 34 HB1 GLN 34 -5.666 3.475 11.079 268 HG2 GLN 34 HG2 GLN 34 -4.644 1.323 10.543 269 HG3 GLN 34 HG1 GLN 34 -3.980 2.009 9.061 270 HE21 GLN 34 HE21 GLN 34 -3.717 1.813 12.500 271 HE22 GLN 34 HE22 GLN 34 -2.213 2.660 12.645 272 H LYS 35 HN LYS 35 -8.387 3.977 7.802 273 HA LYS 35 HA LYS 35 -9.785 5.062 10.156 274 HB2 LYS 35 HB2 LYS 35 -10.291 7.067 9.003 275 HB3 LYS 35 HB1 LYS 35 -8.578 6.763 8.767 276 HG2 LYS 35 HG2 LYS 35 -9.045 5.896 6.531 277 HG3 LYS 35 HG1 LYS 35 -10.762 6.213 6.768 278 HD2 LYS 35 HD2 LYS 35 -8.653 8.352 6.976 279 HD3 LYS 35 HD1 LYS 35 -9.483 7.969 5.470 280 HE2 LYS 35 HE2 LYS 35 -11.634 8.473 6.544 281 HE3 LYS 35 HE1 LYS 35 -10.788 8.875 8.038 282 HZ1 LYS 35 HZ1 LYS 35 -9.711 10.696 6.949 283 HZ2 LYS 35 HZ2 LYS 35 -11.378 10.832 6.691 284 HZ3 LYS 35 HZ3 LYS 35 -10.375 10.273 5.452 285 H GLU 36 HN GLU 36 -10.146 3.339 7.178 286 HA GLU 36 HA GLU 36 -13.035 3.624 7.162 287 HB2 GLU 36 HB2 GLU 36 -11.288 1.877 5.418 288 HB3 GLU 36 HB1 GLU 36 -12.987 2.238 5.161 289 HG2 GLU 36 HG2 GLU 36 -10.864 4.362 5.201 290 HG3 GLU 36 HG1 GLU 36 -11.342 3.509 3.735 291 H GLY 37 HN GLY 37 -10.771 1.623 8.660 292 HA2 GLY 37 HA2 GLY 37 -11.409 0.063 10.327 293 HA3 GLY 37 HA1 GLY 37 -12.931 -0.172 9.484 294 H LEU 38 HN LEU 38 -10.256 -0.172 7.405 295 HA LEU 38 HA LEU 38 -10.611 -2.961 6.824 296 HB2 LEU 38 HB2 LEU 38 -8.674 -0.908 5.760 297 HB3 LEU 38 HB1 LEU 38 -8.747 -2.560 5.184 298 HG LEU 38 HG LEU 38 -11.105 -0.692 5.066 299 HD11 LEU 38 HD11 LEU 38 -9.070 -1.273 2.924 300 HD12 LEU 38 HD12 LEU 38 -9.272 0.261 3.770 301 HD13 LEU 38 HD13 LEU 38 -10.552 -0.342 2.718 302 HD21 LEU 38 HD21 LEU 38 -11.879 -2.296 3.364 303 HD22 LEU 38 HD22 LEU 38 -11.669 -3.042 4.948 304 HD23 LEU 38 HD23 LEU 38 -10.461 -3.294 3.689 305 H LEU 39 HN LEU 39 -7.883 -0.994 7.977 306 HA LEU 39 HA LEU 39 -6.749 -3.431 9.177 307 HB2 LEU 39 HB2 LEU 39 -5.287 -1.028 8.075 308 HB3 LEU 39 HB1 LEU 39 -4.528 -2.344 8.943 309 HG LEU 39 HG LEU 39 -5.905 -2.536 6.271 310 HD11 LEU 39 HD11 LEU 39 -3.005 -2.847 7.003 311 HD12 LEU 39 HD12 LEU 39 -3.713 -1.413 6.264 312 HD13 LEU 39 HD13 LEU 39 -3.705 -2.944 5.388 313 HD21 LEU 39 HD21 LEU 39 -4.670 -4.856 6.436 314 HD22 LEU 39 HD22 LEU 39 -6.291 -4.634 7.093 315 HD23 LEU 39 HD23 LEU 39 -4.892 -4.593 8.166 316 H MET 40 HN MET 40 -5.321 -2.945 11.071 317 HA MET 40 HA MET 40 -6.568 -0.828 12.698 318 HB2 MET 40 HB2 MET 40 -6.981 -3.057 13.563 319 HB3 MET 40 HB1 MET 40 -5.264 -3.434 13.505 320 HG2 MET 40 HG2 MET 40 -4.825 -1.778 15.225 321 HG3 MET 40 HG1 MET 40 -6.535 -1.350 15.265 322 HE1 MET 40 HE1 MET 40 -3.989 -4.268 15.666 323 HE2 MET 40 HE2 MET 40 -5.297 -5.101 14.827 324 HE3 MET 40 HE3 MET 40 -4.932 -5.500 16.504 325 H SER 41 HN SER 41 -3.536 -2.383 11.828 326 HA SER 41 HA SER 41 -2.101 0.025 12.724 327 HB2 SER 41 HB2 SER 41 -0.282 -2.075 12.981 328 HB3 SER 41 HB1 SER 41 -1.099 -1.237 14.297 329 HG SER 41 HG SER 41 -1.989 -3.597 12.956 330 HA PRO 42 HA PRO 42 -0.198 -0.003 8.738 331 HB2 PRO 42 HB2 PRO 42 2.394 0.670 9.285 332 HB3 PRO 42 HB1 PRO 42 1.054 1.831 9.330 333 HG2 PRO 42 HG2 PRO 42 2.395 0.417 11.582 334 HG3 PRO 42 HG1 PRO 42 1.841 2.100 11.473 335 HD2 PRO 42 HD2 PRO 42 0.444 0.199 12.781 336 HD3 PRO 42 HD1 PRO 42 -0.338 1.557 11.948 337 H SER 43 HN SER 43 1.174 -1.947 11.258 338 HA SER 43 HA SER 43 2.969 -3.440 9.605 339 HB2 SER 43 HB2 SER 43 2.633 -4.961 11.842 340 HB3 SER 43 HB1 SER 43 3.748 -3.596 11.733 341 HG SER 43 HG SER 43 1.705 -3.862 13.366 342 H ASP 44 HN ASP 44 -0.335 -3.411 9.816 343 HA ASP 44 HA ASP 44 -0.937 -6.190 9.762 344 HB2 ASP 44 HB2 ASP 44 -2.536 -3.804 8.804 345 HB3 ASP 44 HB1 ASP 44 -3.160 -5.445 8.887 346 H LEU 45 HN LEU 45 0.374 -4.053 7.486 347 HA LEU 45 HA LEU 45 -0.622 -5.149 5.079 348 HB2 LEU 45 HB2 LEU 45 1.171 -3.102 5.849 349 HB3 LEU 45 HB1 LEU 45 2.047 -4.150 4.753 350 HG LEU 45 HG LEU 45 1.039 -2.312 3.539 351 HD11 LEU 45 HD11 LEU 45 1.220 -4.467 2.414 352 HD12 LEU 45 HD12 LEU 45 -0.184 -3.561 1.852 353 HD13 LEU 45 HD13 LEU 45 -0.393 -4.903 2.977 354 HD21 LEU 45 HD21 LEU 45 -1.209 -1.752 3.574 355 HD22 LEU 45 HD22 LEU 45 -0.876 -2.141 5.260 356 HD23 LEU 45 HD23 LEU 45 -1.696 -3.315 4.229 357 H TYR 46 HN TYR 46 1.797 -6.219 7.302 358 HA TYR 46 HA TYR 46 3.278 -7.837 5.481 359 HB2 TYR 46 HB2 TYR 46 3.069 -8.033 8.493 360 HB3 TYR 46 HB1 TYR 46 4.270 -8.837 7.494 361 HD1 TYR 46 HD1 TYR 46 5.226 -6.808 5.687 362 HD2 TYR 46 HD2 TYR 46 4.100 -6.429 9.769 363 HE1 TYR 46 HE1 TYR 46 6.705 -4.851 5.909 364 HE2 TYR 46 HE2 TYR 46 5.573 -4.475 10.004 365 HH TYR 46 HH TYR 46 7.689 -3.620 8.809 366 H SER 47 HN SER 47 0.234 -8.166 6.921 367 HA SER 47 HA SER 47 0.239 -11.070 6.847 368 HB2 SER 47 HB2 SER 47 -2.112 -9.281 7.465 369 HB3 SER 47 HB1 SER 47 -1.848 -10.950 7.968 370 HG SER 47 HG SER 47 -1.266 -8.809 9.327 371 HA PRO 48 HA PRO 48 -1.139 -10.682 2.572 372 HB2 PRO 48 HB2 PRO 48 -0.999 -13.335 2.004 373 HB3 PRO 48 HB1 PRO 48 0.433 -12.290 2.079 374 HG2 PRO 48 HG2 PRO 48 -0.629 -14.179 4.118 375 HG3 PRO 48 HG1 PRO 48 1.049 -13.885 3.617 376 HD2 PRO 48 HD2 PRO 48 -0.023 -12.829 5.874 377 HD3 PRO 48 HD1 PRO 48 1.260 -12.031 4.944 378 H GLY 49 HN GLY 49 -2.611 -12.403 5.167 379 HA2 GLY 49 HA2 GLY 49 -4.849 -13.406 3.669 380 HA3 GLY 49 HA1 GLY 49 -4.694 -13.368 5.418 381 H SER 50 HN SER 50 -4.007 -10.326 4.647 382 HA SER 50 HA SER 50 -6.821 -9.501 4.845 383 HB2 SER 50 HB2 SER 50 -5.077 -7.364 5.540 384 HB3 SER 50 HB1 SER 50 -6.152 -8.278 6.601 385 HG SER 50 HG SER 50 -3.412 -8.516 6.197 386 H TRP 51 HN TRP 51 -4.647 -9.864 2.530 387 HA TRP 51 HA TRP 51 -4.585 -7.257 1.335 388 HB2 TRP 51 HB2 TRP 51 -3.868 -9.991 0.280 389 HB3 TRP 51 HB1 TRP 51 -3.698 -8.521 -0.670 390 HD1 TRP 51 HD1 TRP 51 -2.731 -7.324 2.546 391 HE1 TRP 51 HE1 TRP 51 -0.188 -7.485 2.945 392 HE3 TRP 51 HE3 TRP 51 -1.523 -10.571 -1.213 393 HZ2 TRP 51 HZ2 TRP 51 2.027 -8.799 1.806 394 HZ3 TRP 51 HZ3 TRP 51 0.834 -11.231 -1.492 395 HH2 TRP 51 HH2 TRP 51 2.571 -10.359 -0.012 396 H ASP 52 HN ASP 52 -6.453 -10.208 0.797 397 HA ASP 52 HA ASP 52 -7.779 -9.438 -1.529 398 HB2 ASP 52 HB2 ASP 52 -8.457 -11.379 0.654 399 HB3 ASP 52 HB1 ASP 52 -9.603 -11.062 -0.643 400 HA PRO 53 HA PRO 53 -11.508 -7.880 1.285 401 HB2 PRO 53 HB2 PRO 53 -10.557 -6.822 3.693 402 HB3 PRO 53 HB1 PRO 53 -11.417 -8.359 3.506 403 HG2 PRO 53 HG2 PRO 53 -8.507 -7.846 3.752 404 HG3 PRO 53 HG1 PRO 53 -9.484 -9.186 4.389 405 HD2 PRO 53 HD2 PRO 53 -7.920 -9.512 2.246 406 HD3 PRO 53 HD1 PRO 53 -9.498 -10.316 2.376 407 H ILE 54 HN ILE 54 -8.323 -6.369 1.828 408 HA ILE 54 HA ILE 54 -9.246 -3.706 1.756 409 HB ILE 54 HB ILE 54 -6.500 -4.787 1.102 410 HG12 ILE 54 HG12 ILE 54 -7.551 -3.504 3.631 411 HG13 ILE 54 HG11 ILE 54 -7.354 -5.240 3.403 412 HG21 ILE 54 HG21 ILE 54 -5.691 -2.517 1.461 413 HG22 ILE 54 HG22 ILE 54 -7.343 -1.958 1.719 414 HG23 ILE 54 HG23 ILE 54 -6.857 -2.561 0.137 415 HD11 ILE 54 HD11 ILE 54 -5.517 -4.231 4.663 416 HD12 ILE 54 HD12 ILE 54 -5.137 -3.212 3.275 417 HD13 ILE 54 HD13 ILE 54 -4.969 -4.963 3.155 418 H THR 55 HN THR 55 -7.728 -5.705 -0.770 419 HA THR 55 HA THR 55 -7.800 -3.810 -2.817 420 HB THR 55 HB THR 55 -8.103 -6.790 -3.218 421 HG1 THR 55 HG1 THR 55 -6.323 -6.606 -1.921 422 HG21 THR 55 HG21 THR 55 -6.866 -6.360 -5.285 423 HG22 THR 55 HG22 THR 55 -6.791 -4.644 -4.890 424 HG23 THR 55 HG23 THR 55 -8.347 -5.403 -5.229 425 H ALA 56 HN ALA 56 -10.202 -6.254 -1.879 426 HA ALA 56 HA ALA 56 -12.018 -5.793 -3.966 427 HB1 ALA 56 HB1 ALA 56 -12.626 -6.720 -1.163 428 HB2 ALA 56 HB2 ALA 56 -12.099 -7.755 -2.491 429 HB3 ALA 56 HB3 ALA 56 -13.654 -6.927 -2.581 430 H ALA 57 HN ALA 57 -11.744 -4.318 -0.755 431 HA ALA 57 HA ALA 57 -14.091 -2.739 -0.973 432 HB1 ALA 57 HB1 ALA 57 -13.071 -3.287 1.178 433 HB2 ALA 57 HB2 ALA 57 -13.238 -1.543 0.970 434 HB3 ALA 57 HB3 ALA 57 -11.663 -2.311 0.761 435 H LEU 58 HN LEU 58 -10.642 -1.984 -1.491 436 HA LEU 58 HA LEU 58 -10.991 0.735 -2.082 437 HB2 LEU 58 HB2 LEU 58 -8.842 -1.196 -2.936 438 HB3 LEU 58 HB1 LEU 58 -8.777 0.526 -3.256 439 HG LEU 58 HG LEU 58 -8.737 -0.824 -0.558 440 HD11 LEU 58 HD11 LEU 58 -6.548 0.215 -0.362 441 HD12 LEU 58 HD12 LEU 58 -6.723 0.914 -1.971 442 HD13 LEU 58 HD13 LEU 58 -6.622 -0.837 -1.777 443 HD21 LEU 58 HD21 LEU 58 -10.063 1.127 -0.266 444 HD22 LEU 58 HD22 LEU 58 -8.977 2.094 -1.262 445 HD23 LEU 58 HD23 LEU 58 -8.443 1.514 0.315 446 H SER 59 HN SER 59 -10.749 -2.040 -4.323 447 HA SER 59 HA SER 59 -11.077 -0.511 -6.662 448 HB2 SER 59 HB2 SER 59 -11.765 -3.419 -6.169 449 HB3 SER 59 HB1 SER 59 -11.604 -2.662 -7.753 450 HG SER 59 HG SER 59 -9.633 -3.476 -7.424 451 H GLN 60 HN GLN 60 -13.378 -1.785 -4.372 452 HA GLN 60 HA GLN 60 -15.689 -1.554 -6.008 453 HB2 GLN 60 HB2 GLN 60 -15.482 -2.926 -3.900 454 HB3 GLN 60 HB1 GLN 60 -15.577 -1.424 -2.994 455 HG2 GLN 60 HG2 GLN 60 -17.788 -0.989 -3.936 456 HG3 GLN 60 HG1 GLN 60 -17.691 -2.497 -4.846 457 HE21 GLN 60 HE21 GLN 60 -18.132 -1.054 -1.732 458 HE22 GLN 60 HE22 GLN 60 -18.639 -2.493 -0.911 459 H ARG 61 HN ARG 61 -14.530 0.484 -3.309 460 HA ARG 61 HA ARG 61 -16.413 2.531 -3.713 461 HB2 ARG 61 HB2 ARG 61 -14.910 3.941 -2.335 462 HB3 ARG 61 HB1 ARG 61 -15.239 2.372 -1.615 463 HG2 ARG 61 HG2 ARG 61 -13.032 1.603 -2.560 464 HG3 ARG 61 HG1 ARG 61 -12.716 3.292 -2.969 465 HD2 ARG 61 HD2 ARG 61 -13.620 3.044 -0.240 466 HD3 ARG 61 HD1 ARG 61 -12.218 2.015 -0.531 467 HE ARG 61 HE ARG 61 -11.294 4.235 -1.552 468 HH11 ARG 61 HH11 ARG 61 -12.605 5.281 2.110 469 HH12 ARG 61 HH12 ARG 61 -13.262 3.879 1.323 470 HH21 ARG 61 HH21 ARG 61 -10.417 6.068 -0.554 471 HH22 ARG 61 HH22 ARG 61 -10.982 6.542 1.025 472 H ALA 62 HN ALA 62 -13.337 1.880 -5.211 473 HA ALA 62 HA ALA 62 -12.884 4.421 -6.356 474 HB1 ALA 62 HB1 ALA 62 -11.983 1.688 -7.253 475 HB2 ALA 62 HB2 ALA 62 -11.098 2.813 -6.222 476 HB3 ALA 62 HB3 ALA 62 -11.389 3.210 -7.915 477 H MET 63 HN MET 63 -14.638 1.565 -7.519 478 HA MET 63 HA MET 63 -15.185 2.752 -10.077 479 HB2 MET 63 HB2 MET 63 -16.320 0.763 -10.626 480 HB3 MET 63 HB1 MET 63 -14.988 0.258 -9.600 481 HG2 MET 63 HG2 MET 63 -16.495 0.084 -7.703 482 HG3 MET 63 HG1 MET 63 -17.837 0.621 -8.709 483 HE1 MET 63 HE1 MET 63 -14.899 -1.845 -9.710 484 HE2 MET 63 HE2 MET 63 -15.628 -3.387 -9.266 485 HE3 MET 63 HE3 MET 63 -15.233 -2.209 -8.016 486 H ILE 64 HN ILE 64 -16.726 2.754 -6.981 487 HA ILE 64 HA ILE 64 -19.296 3.561 -8.053 488 HB ILE 64 HB ILE 64 -18.359 3.401 -5.183 489 HG12 ILE 64 HG12 ILE 64 -20.186 1.545 -6.723 490 HG13 ILE 64 HG11 ILE 64 -18.478 1.235 -6.436 491 HG21 ILE 64 HG21 ILE 64 -20.731 3.570 -4.600 492 HG22 ILE 64 HG22 ILE 64 -21.134 3.805 -6.302 493 HG23 ILE 64 HG23 ILE 64 -20.169 5.009 -5.449 494 HD11 ILE 64 HD11 ILE 64 -20.588 1.531 -4.309 495 HD12 ILE 64 HD12 ILE 64 -18.880 1.192 -4.036 496 HD13 ILE 64 HD13 ILE 64 -19.889 0.014 -4.869 497 H LEU 65 HN LEU 65 -16.705 5.049 -6.111 498 HA LEU 65 HA LEU 65 -18.012 7.627 -6.238 499 HB2 LEU 65 HB2 LEU 65 -15.557 6.552 -4.936 500 HB3 LEU 65 HB1 LEU 65 -15.676 8.282 -5.191 501 HG LEU 65 HG LEU 65 -17.872 8.213 -3.935 502 HD11 LEU 65 HD11 LEU 65 -16.909 5.448 -3.204 503 HD12 LEU 65 HD12 LEU 65 -18.333 5.828 -4.170 504 HD13 LEU 65 HD13 LEU 65 -18.271 6.297 -2.471 505 HD21 LEU 65 HD21 LEU 65 -15.756 8.985 -2.943 506 HD22 LEU 65 HD22 LEU 65 -15.414 7.336 -2.418 507 HD23 LEU 65 HD23 LEU 65 -16.804 8.200 -1.760 508 H GLY 66 HN GLY 66 -15.503 5.954 -7.974 509 HA2 GLY 66 HA2 GLY 66 -14.764 6.548 -10.116 510 HA3 GLY 66 HA1 GLY 66 -15.412 8.161 -9.875 511 H LYS 67 HN LYS 67 -13.491 6.914 -7.328 512 HA LYS 67 HA LYS 67 -11.183 8.470 -8.287 513 HB2 LYS 67 HB2 LYS 67 -10.721 9.006 -5.882 514 HB3 LYS 67 HB1 LYS 67 -12.186 9.736 -6.513 515 HG2 LYS 67 HG2 LYS 67 -13.570 8.301 -5.299 516 HG3 LYS 67 HG1 LYS 67 -12.267 7.150 -5.004 517 HD2 LYS 67 HD2 LYS 67 -12.721 8.362 -2.971 518 HD3 LYS 67 HD1 LYS 67 -11.143 8.854 -3.590 519 HE2 LYS 67 HE2 LYS 67 -12.327 10.805 -4.677 520 HE3 LYS 67 HE1 LYS 67 -13.743 10.362 -3.730 521 HZ1 LYS 67 HZ1 LYS 67 -12.511 10.710 -1.721 522 HZ2 LYS 67 HZ2 LYS 67 -12.390 12.096 -2.679 523 HZ3 LYS 67 HZ3 LYS 67 -11.088 11.021 -2.580 524 H SER 68 HN SER 68 -9.363 7.335 -8.469 525 HA SER 68 HA SER 68 -9.200 4.767 -7.033 526 HB2 SER 68 HB2 SER 68 -7.816 5.450 -9.628 527 HB3 SER 68 HB1 SER 68 -7.971 3.862 -8.879 528 HG SER 68 HG SER 68 -10.325 5.243 -9.451 529 H GLY 69 HN GLY 69 -8.343 7.333 -5.998 530 HA2 GLY 69 HA2 GLY 69 -5.595 7.799 -6.277 531 HA3 GLY 69 HA1 GLY 69 -6.564 8.257 -4.886 532 H GLU 70 HN GLU 70 -7.313 5.898 -3.822 533 HA GLU 70 HA GLU 70 -4.911 5.029 -2.554 534 HB2 GLU 70 HB2 GLU 70 -7.704 3.877 -2.380 535 HB3 GLU 70 HB1 GLU 70 -6.373 3.498 -1.300 536 HG2 GLU 70 HG2 GLU 70 -7.541 5.035 -0.066 537 HG3 GLU 70 HG1 GLU 70 -6.343 6.055 -0.858 538 H LEU 71 HN LEU 71 -6.984 3.797 -5.071 539 HA LEU 71 HA LEU 71 -6.096 1.139 -5.155 540 HB2 LEU 71 HB2 LEU 71 -7.770 2.830 -6.712 541 HB3 LEU 71 HB1 LEU 71 -6.655 2.028 -7.801 542 HG LEU 71 HG LEU 71 -8.609 0.717 -5.910 543 HD11 LEU 71 HD11 LEU 71 -9.686 1.493 -7.876 544 HD12 LEU 71 HD12 LEU 71 -9.460 -0.248 -8.056 545 HD13 LEU 71 HD13 LEU 71 -8.395 0.873 -8.905 546 HD21 LEU 71 HD21 LEU 71 -6.622 -0.620 -5.866 547 HD22 LEU 71 HD22 LEU 71 -6.452 -0.514 -7.618 548 HD23 LEU 71 HD23 LEU 71 -7.793 -1.417 -6.913 549 H LYS 72 HN LYS 72 -4.830 4.043 -6.743 550 HA LYS 72 HA LYS 72 -2.952 2.783 -8.396 551 HB2 LYS 72 HB2 LYS 72 -3.077 5.522 -7.163 552 HB3 LYS 72 HB1 LYS 72 -1.690 5.028 -8.125 553 HG2 LYS 72 HG2 LYS 72 -3.855 4.339 -9.697 554 HG3 LYS 72 HG1 LYS 72 -4.331 5.873 -8.964 555 HD2 LYS 72 HD2 LYS 72 -1.729 5.378 -10.415 556 HD3 LYS 72 HD1 LYS 72 -3.145 6.157 -11.119 557 HE2 LYS 72 HE2 LYS 72 -3.009 7.945 -9.487 558 HE3 LYS 72 HE1 LYS 72 -1.647 7.152 -8.699 559 HZ1 LYS 72 HZ1 LYS 72 -1.658 8.150 -11.494 560 HZ2 LYS 72 HZ2 LYS 72 -0.344 7.447 -10.693 561 HZ3 LYS 72 HZ3 LYS 72 -0.948 8.943 -10.181 562 H THR 73 HN THR 73 -2.445 4.281 -5.213 563 HA THR 73 HA THR 73 0.221 3.522 -4.881 564 HB THR 73 HB THR 73 -1.604 3.688 -2.518 565 HG1 THR 73 HG1 THR 73 -0.948 5.847 -4.284 566 HG21 THR 73 HG21 THR 73 1.080 4.927 -3.149 567 HG22 THR 73 HG22 THR 73 0.823 3.457 -2.210 568 HG23 THR 73 HG23 THR 73 0.233 5.006 -1.603 569 H TRP 74 HN TRP 74 -2.765 1.949 -3.785 570 HA TRP 74 HA TRP 74 -1.624 -0.188 -2.406 571 HB2 TRP 74 HB2 TRP 74 -3.998 0.418 -2.245 572 HB3 TRP 74 HB1 TRP 74 -4.252 -0.102 -3.906 573 HD1 TRP 74 HD1 TRP 74 -5.146 -2.482 -4.149 574 HE1 TRP 74 HE1 TRP 74 -5.215 -4.595 -2.675 575 HE3 TRP 74 HE3 TRP 74 -2.397 -0.783 -0.184 576 HZ2 TRP 74 HZ2 TRP 74 -4.233 -5.420 -0.160 577 HZ3 TRP 74 HZ3 TRP 74 -2.011 -2.298 1.713 578 HH2 TRP 74 HH2 TRP 74 -2.910 -4.568 1.726 579 H GLY 75 HN GLY 75 -2.707 -0.037 -5.801 580 HA2 GLY 75 HA2 GLY 75 -2.144 -2.680 -6.508 581 HA3 GLY 75 HA1 GLY 75 -2.152 -1.324 -7.622 582 H LEU 76 HN LEU 76 -0.001 0.121 -6.443 583 HA LEU 76 HA LEU 76 2.176 -1.268 -7.688 584 HB2 LEU 76 HB2 LEU 76 1.981 1.354 -6.224 585 HB3 LEU 76 HB1 LEU 76 3.496 0.742 -6.854 586 HG LEU 76 HG LEU 76 1.091 1.157 -8.613 587 HD11 LEU 76 HD11 LEU 76 1.728 3.277 -7.471 588 HD12 LEU 76 HD12 LEU 76 1.937 3.312 -9.222 589 HD13 LEU 76 HD13 LEU 76 3.340 3.113 -8.172 590 HD21 LEU 76 HD21 LEU 76 4.046 0.904 -9.160 591 HD22 LEU 76 HD22 LEU 76 2.812 1.242 -10.372 592 HD23 LEU 76 HD23 LEU 76 2.805 -0.298 -9.513 593 H VAL 77 HN VAL 77 1.453 -0.263 -4.356 594 HA VAL 77 HA VAL 77 3.795 -1.305 -3.185 595 HB VAL 77 HB VAL 77 1.070 -0.741 -2.002 596 HG11 VAL 77 HG11 VAL 77 2.140 -2.398 -0.608 597 HG12 VAL 77 HG12 VAL 77 2.189 -0.833 0.200 598 HG13 VAL 77 HG13 VAL 77 3.634 -1.462 -0.587 599 HG21 VAL 77 HG21 VAL 77 3.677 0.774 -1.925 600 HG22 VAL 77 HG22 VAL 77 2.214 1.224 -1.048 601 HG23 VAL 77 HG23 VAL 77 2.224 1.229 -2.812 602 H LEU 78 HN LEU 78 0.546 -2.680 -3.576 603 HA LEU 78 HA LEU 78 1.043 -5.094 -2.223 604 HB2 LEU 78 HB2 LEU 78 -1.193 -4.125 -2.886 605 HB3 LEU 78 HB1 LEU 78 -0.882 -4.722 -4.506 606 HG LEU 78 HG LEU 78 -0.754 -7.027 -3.604 607 HD11 LEU 78 HD11 LEU 78 -1.536 -5.663 -1.035 608 HD12 LEU 78 HD12 LEU 78 -0.069 -6.590 -1.347 609 HD13 LEU 78 HD13 LEU 78 -1.634 -7.400 -1.312 610 HD21 LEU 78 HD21 LEU 78 -2.854 -6.061 -4.510 611 HD22 LEU 78 HD22 LEU 78 -3.314 -5.615 -2.867 612 HD23 LEU 78 HD23 LEU 78 -3.121 -7.315 -3.298 613 H GLY 79 HN GLY 79 1.460 -4.165 -5.595 614 HA2 GLY 79 HA2 GLY 79 1.983 -6.693 -6.678 615 HA3 GLY 79 HA1 GLY 79 2.583 -5.172 -7.321 616 H ALA 80 HN ALA 80 4.167 -4.337 -5.208 617 HA ALA 80 HA ALA 80 6.546 -5.783 -5.695 618 HB1 ALA 80 HB1 ALA 80 5.951 -3.736 -3.565 619 HB2 ALA 80 HB2 ALA 80 6.560 -3.403 -5.187 620 HB3 ALA 80 HB3 ALA 80 7.555 -4.296 -4.033 621 H LEU 81 HN LEU 81 4.307 -5.680 -2.957 622 HA LEU 81 HA LEU 81 5.839 -7.337 -1.247 623 HB2 LEU 81 HB2 LEU 81 3.074 -6.285 -1.287 624 HB3 LEU 81 HB1 LEU 81 3.334 -7.742 -0.344 625 HG LEU 81 HG LEU 81 4.952 -5.220 0.023 626 HD11 LEU 81 HD11 LEU 81 2.513 -6.173 1.522 627 HD12 LEU 81 HD12 LEU 81 2.636 -4.722 0.525 628 HD13 LEU 81 HD13 LEU 81 3.560 -4.845 2.023 629 HD21 LEU 81 HD21 LEU 81 4.618 -7.724 1.680 630 HD22 LEU 81 HD22 LEU 81 5.483 -6.278 2.204 631 HD23 LEU 81 HD23 LEU 81 6.071 -7.204 0.825 632 H LYS 82 HN LYS 82 3.393 -7.997 -3.687 633 HA LYS 82 HA LYS 82 2.945 -10.707 -3.094 634 HB2 LYS 82 HB2 LYS 82 2.715 -9.085 -5.614 635 HB3 LYS 82 HB1 LYS 82 2.422 -10.818 -5.631 636 HG2 LYS 82 HG2 LYS 82 0.646 -10.549 -3.987 637 HG3 LYS 82 HG1 LYS 82 0.946 -8.810 -3.935 638 HD2 LYS 82 HD2 LYS 82 0.217 -8.515 -6.157 639 HD3 LYS 82 HD1 LYS 82 0.258 -10.248 -6.485 640 HE2 LYS 82 HE2 LYS 82 -1.543 -10.479 -4.712 641 HE3 LYS 82 HE1 LYS 82 -1.686 -8.720 -4.771 642 HZ1 LYS 82 HZ1 LYS 82 -1.979 -10.465 -7.154 643 HZ2 LYS 82 HZ2 LYS 82 -2.339 -8.815 -7.035 644 HZ3 LYS 82 HZ3 LYS 82 -3.282 -9.949 -6.209 645 H ALA 83 HN ALA 83 5.228 -9.171 -5.338 646 HA ALA 83 HA ALA 83 6.449 -11.570 -6.201 647 HB1 ALA 83 HB1 ALA 83 7.502 -8.741 -6.177 648 HB2 ALA 83 HB2 ALA 83 6.653 -9.544 -7.499 649 HB3 ALA 83 HB3 ALA 83 8.259 -10.092 -7.018 650 H ALA 84 HN ALA 84 6.930 -9.511 -3.439 651 HA ALA 84 HA ALA 84 9.495 -10.480 -2.690 652 HB1 ALA 84 HB1 ALA 84 9.106 -9.351 -0.579 653 HB2 ALA 84 HB2 ALA 84 7.393 -9.176 -0.963 654 HB3 ALA 84 HB3 ALA 84 8.603 -8.323 -1.921 655 H ARG 85 HN ARG 85 6.236 -11.625 -2.173 656 HA ARG 85 HA ARG 85 7.139 -13.532 -0.152 657 HB2 ARG 85 HB2 ARG 85 4.484 -12.588 -1.114 658 HB3 ARG 85 HB1 ARG 85 4.583 -14.196 -0.410 659 HG2 ARG 85 HG2 ARG 85 5.831 -12.954 1.523 660 HG3 ARG 85 HG1 ARG 85 5.006 -11.538 0.869 661 HD2 ARG 85 HD2 ARG 85 2.865 -12.621 1.130 662 HD3 ARG 85 HD1 ARG 85 3.644 -14.101 1.683 663 HE ARG 85 HE ARG 85 3.664 -11.548 3.171 664 HH11 ARG 85 HH11 ARG 85 3.643 -15.217 4.818 665 HH12 ARG 85 HH12 ARG 85 3.688 -15.056 3.093 666 HH21 ARG 85 HH21 ARG 85 3.550 -11.764 5.441 667 HH22 ARG 85 HH22 ARG 85 3.561 -13.345 6.157 668 H GLU 86 HN GLU 86 7.060 -13.404 -3.444 669 HA GLU 86 HA GLU 86 6.495 -16.270 -3.729 670 HB2 GLU 86 HB2 GLU 86 6.539 -14.000 -5.700 671 HB3 GLU 86 HB1 GLU 86 6.596 -15.676 -6.227 672 HG2 GLU 86 HG2 GLU 86 4.490 -15.893 -4.671 673 HG3 GLU 86 HG1 GLU 86 4.377 -14.159 -4.966 674 H GLU 87 HN GLU 87 8.917 -15.304 -2.535 675 HA GLU 87 HA GLU 87 10.813 -16.606 -4.323 676 HB2 GLU 87 HB2 GLU 87 10.812 -13.923 -4.329 677 HB3 GLU 87 HB1 GLU 87 11.809 -14.185 -2.904 678 HG2 GLU 87 HG2 GLU 87 13.208 -15.726 -4.367 679 HG3 GLU 87 HG1 GLU 87 12.334 -15.030 -5.731 680 H1 IHP 101 H37 IHP 0 14.547 10.037 1.269 681 H2 IHP 101 H38 IHP 0 12.850 10.496 3.023 682 H3 IHP 101 H39 IHP 0 12.820 11.795 0.909 683 H4 IHP 101 H40 IHP 0 10.822 9.666 0.002 684 H5 IHP 101 H41 IHP 0 13.598 10.435 -1.015 685 H6 IHP 101 H42 IHP 0 12.565 7.890 0.349 Start of MODEL 9 1 H1 SER 1 HT1 SER 1 2.185 4.261 10.670 2 H2 SER 1 HT2 SER 1 3.616 3.896 9.854 3 H3 SER 1 HT3 SER 1 2.749 5.293 9.456 4 HA SER 1 HA SER 1 3.126 6.095 11.751 5 HB2 SER 1 HB2 SER 1 5.271 4.895 12.710 6 HB3 SER 1 HB1 SER 1 3.663 4.244 13.021 7 HG SER 1 HG SER 1 4.948 2.572 12.315 8 H GLU 2 HN GLU 2 6.273 4.830 10.931 9 HA GLU 2 HA GLU 2 6.843 7.045 9.139 10 HB2 GLU 2 HB2 GLU 2 8.851 7.670 10.613 11 HB3 GLU 2 HB1 GLU 2 7.259 8.224 11.109 12 HG2 GLU 2 HG2 GLU 2 7.168 6.216 12.631 13 HG3 GLU 2 HG1 GLU 2 8.876 5.976 12.271 14 H ALA 3 HN ALA 3 8.687 4.728 11.158 15 HA ALA 3 HA ALA 3 10.681 4.333 9.186 16 HB1 ALA 3 HB1 ALA 3 11.125 4.008 11.563 17 HB2 ALA 3 HB2 ALA 3 11.507 2.555 10.638 18 HB3 ALA 3 HB3 ALA 3 10.023 2.632 11.586 19 H VAL 4 HN VAL 4 7.747 2.580 10.030 20 HA VAL 4 HA VAL 4 8.248 0.278 8.491 21 HB VAL 4 HB VAL 4 5.489 1.398 8.971 22 HG11 VAL 4 HG11 VAL 4 5.678 -0.569 7.508 23 HG12 VAL 4 HG12 VAL 4 4.834 -0.943 9.010 24 HG13 VAL 4 HG13 VAL 4 6.515 -1.434 8.797 25 HG21 VAL 4 HG21 VAL 4 7.217 -0.161 10.893 26 HG22 VAL 4 HG22 VAL 4 5.502 0.180 11.117 27 HG23 VAL 4 HG23 VAL 4 6.668 1.504 11.088 28 H ILE 5 HN ILE 5 7.272 3.474 7.584 29 HA ILE 5 HA ILE 5 6.150 2.785 5.051 30 HB ILE 5 HB ILE 5 7.370 5.451 5.775 31 HG12 ILE 5 HG12 ILE 5 4.515 4.558 6.228 32 HG13 ILE 5 HG11 ILE 5 5.726 4.707 7.497 33 HG21 ILE 5 HG21 ILE 5 5.177 4.704 3.840 34 HG22 ILE 5 HG22 ILE 5 6.842 5.104 3.410 35 HG23 ILE 5 HG23 ILE 5 5.798 6.332 4.131 36 HD11 ILE 5 HD11 ILE 5 4.621 6.918 5.789 37 HD12 ILE 5 HD12 ILE 5 5.924 7.110 6.964 38 HD13 ILE 5 HD13 ILE 5 4.310 6.641 7.503 39 H LYS 6 HN LYS 6 9.331 3.821 6.196 40 HA LYS 6 HA LYS 6 10.566 4.014 3.665 41 HB2 LYS 6 HB2 LYS 6 11.799 3.443 6.369 42 HB3 LYS 6 HB1 LYS 6 12.696 3.884 4.921 43 HG2 LYS 6 HG2 LYS 6 10.613 5.617 6.238 44 HG3 LYS 6 HG1 LYS 6 12.351 5.759 6.497 45 HD2 LYS 6 HD2 LYS 6 11.176 5.894 3.739 46 HD3 LYS 6 HD1 LYS 6 11.235 7.314 4.778 47 HE2 LYS 6 HE2 LYS 6 13.713 6.864 5.029 48 HE3 LYS 6 HE1 LYS 6 13.536 5.686 3.728 49 HZ1 LYS 6 HZ1 LYS 6 14.146 7.583 2.606 50 HZ2 LYS 6 HZ2 LYS 6 13.280 8.615 3.620 51 HZ3 LYS 6 HZ3 LYS 6 12.463 7.663 2.488 52 H VAL 7 HN VAL 7 10.102 1.353 5.901 53 HA VAL 7 HA VAL 7 11.794 -0.528 4.662 54 HB VAL 7 HB VAL 7 9.239 -1.005 6.220 55 HG11 VAL 7 HG11 VAL 7 11.469 -2.898 5.495 56 HG12 VAL 7 HG12 VAL 7 9.782 -2.987 4.980 57 HG13 VAL 7 HG13 VAL 7 10.203 -3.245 6.673 58 HG21 VAL 7 HG21 VAL 7 10.862 0.242 7.521 59 HG22 VAL 7 HG22 VAL 7 12.117 -0.934 7.126 60 HG23 VAL 7 HG23 VAL 7 10.745 -1.410 8.128 61 H ILE 8 HN ILE 8 8.637 0.665 3.890 62 HA ILE 8 HA ILE 8 8.055 -1.432 1.991 63 HB ILE 8 HB ILE 8 6.623 1.131 2.686 64 HG12 ILE 8 HG12 ILE 8 6.467 -0.561 4.419 65 HG13 ILE 8 HG11 ILE 8 4.915 -0.422 3.602 66 HG21 ILE 8 HG21 ILE 8 5.763 -1.014 0.749 67 HG22 ILE 8 HG22 ILE 8 6.223 0.640 0.343 68 HG23 ILE 8 HG23 ILE 8 4.769 0.338 1.291 69 HD11 ILE 8 HD11 ILE 8 6.960 -2.603 3.309 70 HD12 ILE 8 HD12 ILE 8 5.580 -2.414 2.227 71 HD13 ILE 8 HD13 ILE 8 5.319 -2.726 3.943 72 H SER 9 HN SER 9 8.938 2.021 1.896 73 HA SER 9 HA SER 9 8.823 2.281 -0.903 74 HB2 SER 9 HB2 SER 9 10.403 4.272 -0.451 75 HB3 SER 9 HB1 SER 9 8.800 4.306 0.281 76 HG SER 9 HG SER 9 10.967 4.660 1.553 77 H SER 10 HN SER 10 11.541 1.510 1.263 78 HA SER 10 HA SER 10 13.534 1.446 -0.716 79 HB2 SER 10 HB2 SER 10 13.364 -0.119 1.871 80 HB3 SER 10 HB1 SER 10 14.821 0.071 0.896 81 HG SER 10 HG SER 10 13.670 2.474 1.438 82 H ALA 11 HN ALA 11 11.075 -0.850 0.136 83 HA ALA 11 HA ALA 11 12.288 -3.109 -1.112 84 HB1 ALA 11 HB1 ALA 11 9.371 -2.735 -0.482 85 HB2 ALA 11 HB2 ALA 11 10.579 -3.217 0.707 86 HB3 ALA 11 HB3 ALA 11 10.248 -4.254 -0.679 87 H CYS 12 HN CYS 12 9.613 -0.926 -2.074 88 HA CYS 12 HA CYS 12 9.239 -2.167 -4.587 89 HB2 CYS 12 HB2 CYS 12 8.133 0.115 -5.160 90 HB3 CYS 12 HB1 CYS 12 7.402 -0.916 -3.938 91 HG CYS 12 HG CYS 12 9.589 1.282 -2.688 92 H LYS 13 HN LYS 13 11.689 -0.104 -3.464 93 HA LYS 13 HA LYS 13 12.378 1.169 -5.902 94 HB2 LYS 13 HB2 LYS 13 13.901 0.580 -3.370 95 HB3 LYS 13 HB1 LYS 13 14.664 1.373 -4.740 96 HG2 LYS 13 HG2 LYS 13 12.165 2.434 -3.460 97 HG3 LYS 13 HG1 LYS 13 13.778 2.852 -2.884 98 HD2 LYS 13 HD2 LYS 13 14.346 3.790 -5.034 99 HD3 LYS 13 HD1 LYS 13 12.797 3.273 -5.703 100 HE2 LYS 13 HE2 LYS 13 12.491 5.539 -5.230 101 HE3 LYS 13 HE1 LYS 13 11.734 4.706 -3.874 102 HZ1 LYS 13 HZ1 LYS 13 14.490 5.809 -3.822 103 HZ2 LYS 13 HZ2 LYS 13 13.623 5.186 -2.513 104 HZ3 LYS 13 HZ3 LYS 13 13.130 6.632 -3.241 105 H THR 14 HN THR 14 12.903 -1.991 -4.602 106 HA THR 14 HA THR 14 14.910 -2.631 -6.622 107 HB THR 14 HB THR 14 13.968 -4.811 -4.900 108 HG1 THR 14 HG1 THR 14 15.287 -2.568 -3.720 109 HG21 THR 14 HG21 THR 14 16.696 -3.595 -5.357 110 HG22 THR 14 HG22 THR 14 15.994 -4.916 -6.295 111 HG23 THR 14 HG23 THR 14 16.358 -5.142 -4.583 112 H TYR 15 HN TYR 15 11.557 -3.223 -5.841 113 HA TYR 15 HA TYR 15 11.310 -5.345 -7.797 114 HB2 TYR 15 HB2 TYR 15 9.137 -3.955 -6.217 115 HB3 TYR 15 HB1 TYR 15 8.970 -5.451 -7.132 116 HD1 TYR 15 HD1 TYR 15 8.788 -4.530 -3.996 117 HD2 TYR 15 HD2 TYR 15 11.376 -6.942 -6.355 118 HE1 TYR 15 HE1 TYR 15 9.422 -5.798 -1.987 119 HE2 TYR 15 HE2 TYR 15 12.018 -8.216 -4.352 120 HH TYR 15 HH TYR 15 12.084 -7.772 -1.831 121 H CYS 16 HN CYS 16 9.955 -2.067 -7.397 122 HA CYS 16 HA CYS 16 9.042 -2.097 -10.157 123 HB2 CYS 16 HB2 CYS 16 8.796 0.204 -8.232 124 HB3 CYS 16 HB1 CYS 16 7.787 -0.162 -9.630 125 HG CYS 16 HG CYS 16 6.673 -2.476 -8.416 126 H GLY 17 HN GLY 17 11.496 -0.603 -8.152 127 HA2 GLY 17 HA2 GLY 17 13.530 0.264 -8.872 128 HA3 GLY 17 HA1 GLY 17 12.960 0.162 -10.529 129 H LYS 18 HN LYS 18 11.709 1.850 -11.387 130 HA LYS 18 HA LYS 18 11.974 4.368 -9.888 131 HB2 LYS 18 HB2 LYS 18 11.655 5.229 -12.433 132 HB3 LYS 18 HB1 LYS 18 13.218 4.949 -11.689 133 HG2 LYS 18 HG2 LYS 18 11.952 2.636 -13.018 134 HG3 LYS 18 HG1 LYS 18 12.526 3.943 -14.058 135 HD2 LYS 18 HD2 LYS 18 14.250 2.719 -11.915 136 HD3 LYS 18 HD1 LYS 18 14.167 2.051 -13.548 137 HE2 LYS 18 HE2 LYS 18 15.012 4.069 -14.497 138 HE3 LYS 18 HE1 LYS 18 14.849 4.927 -12.970 139 HZ1 LYS 18 HZ1 LYS 18 16.605 3.641 -12.029 140 HZ2 LYS 18 HZ2 LYS 18 17.156 4.245 -13.511 141 HZ3 LYS 18 HZ3 LYS 18 16.682 2.629 -13.380 142 H THR 19 HN THR 19 9.763 2.139 -10.963 143 HA THR 19 HA THR 19 7.639 4.103 -11.373 144 HB THR 19 HB THR 19 6.632 1.442 -11.460 145 HG1 THR 19 HG1 THR 19 8.071 0.378 -12.693 146 HG21 THR 19 HG21 THR 19 6.125 2.001 -13.759 147 HG22 THR 19 HG22 THR 19 7.296 3.317 -13.735 148 HG23 THR 19 HG23 THR 19 5.838 3.415 -12.749 149 H SER 20 HN SER 20 8.966 3.500 -8.761 150 HA SER 20 HA SER 20 6.954 2.167 -7.171 151 HB2 SER 20 HB2 SER 20 8.600 3.146 -5.324 152 HB3 SER 20 HB1 SER 20 9.041 1.732 -6.284 153 HG SER 20 HG SER 20 9.924 4.400 -6.522 154 HA PRO 21 HA PRO 21 4.653 5.859 -6.287 155 HB2 PRO 21 HB2 PRO 21 3.348 5.000 -4.054 156 HB3 PRO 21 HB1 PRO 21 2.910 4.461 -5.685 157 HG2 PRO 21 HG2 PRO 21 4.518 3.067 -3.612 158 HG3 PRO 21 HG1 PRO 21 3.297 2.418 -4.723 159 HD2 PRO 21 HD2 PRO 21 5.965 2.150 -5.150 160 HD3 PRO 21 HD1 PRO 21 4.775 2.241 -6.463 161 H SER 22 HN SER 22 4.834 7.651 -5.005 162 HA SER 22 HA SER 22 7.138 7.911 -3.391 163 HB2 SER 22 HB2 SER 22 5.861 10.165 -2.822 164 HB3 SER 22 HB1 SER 22 6.575 9.902 -4.415 165 HG SER 22 HG SER 22 4.574 10.449 -4.953 166 H LYS 23 HN LYS 23 7.353 8.108 -1.162 167 HA LYS 23 HA LYS 23 5.536 6.616 0.391 168 HB2 LYS 23 HB2 LYS 23 7.226 6.555 1.837 169 HB3 LYS 23 HB1 LYS 23 8.137 7.542 0.707 170 HG2 LYS 23 HG2 LYS 23 6.362 9.061 2.476 171 HG3 LYS 23 HG1 LYS 23 7.651 8.180 3.303 172 HD2 LYS 23 HD2 LYS 23 9.329 9.304 2.110 173 HD3 LYS 23 HD1 LYS 23 8.187 9.888 0.898 174 HE2 LYS 23 HE2 LYS 23 7.166 11.366 2.493 175 HE3 LYS 23 HE1 LYS 23 8.153 10.706 3.795 176 HZ1 LYS 23 HZ1 LYS 23 10.091 11.638 2.849 177 HZ2 LYS 23 HZ2 LYS 23 8.937 12.865 2.856 178 HZ3 LYS 23 HZ3 LYS 23 9.295 12.050 1.415 179 H LYS 24 HN LYS 24 5.690 9.984 -0.412 180 HA LYS 24 HA LYS 24 4.188 11.063 1.709 181 HB2 LYS 24 HB2 LYS 24 4.177 11.933 -1.195 182 HB3 LYS 24 HB1 LYS 24 3.613 12.892 0.166 183 HG2 LYS 24 HG2 LYS 24 6.052 12.564 1.038 184 HG3 LYS 24 HG1 LYS 24 6.392 12.218 -0.659 185 HD2 LYS 24 HD2 LYS 24 4.789 14.504 -0.687 186 HD3 LYS 24 HD1 LYS 24 5.925 14.757 0.637 187 HE2 LYS 24 HE2 LYS 24 6.718 13.952 -2.157 188 HE3 LYS 24 HE1 LYS 24 6.703 15.613 -1.573 189 HZ1 LYS 24 HZ1 LYS 24 8.209 13.612 -0.059 190 HZ2 LYS 24 HZ2 LYS 24 8.519 15.260 -0.260 191 HZ3 LYS 24 HZ3 LYS 24 8.864 14.172 -1.508 192 H GLU 25 HN GLU 25 3.297 9.436 -1.248 193 HA GLU 25 HA GLU 25 0.473 9.855 -0.946 194 HB2 GLU 25 HB2 GLU 25 1.776 9.514 -3.121 195 HB3 GLU 25 HB1 GLU 25 1.831 7.811 -2.699 196 HG2 GLU 25 HG2 GLU 25 -0.604 7.726 -2.706 197 HG3 GLU 25 HG1 GLU 25 -0.664 9.440 -3.117 198 H ILE 26 HN ILE 26 2.790 7.266 -0.355 199 HA ILE 26 HA ILE 26 0.996 5.220 0.312 200 HB ILE 26 HB ILE 26 3.793 5.670 1.377 201 HG12 ILE 26 HG12 ILE 26 2.810 3.985 -0.941 202 HG13 ILE 26 HG11 ILE 26 3.645 5.526 -1.092 203 HG21 ILE 26 HG21 ILE 26 2.552 4.098 2.773 204 HG22 ILE 26 HG22 ILE 26 3.799 3.261 1.848 205 HG23 ILE 26 HG23 ILE 26 2.110 3.162 1.344 206 HD11 ILE 26 HD11 ILE 26 5.139 3.654 -1.501 207 HD12 ILE 26 HD12 ILE 26 4.786 3.012 0.104 208 HD13 ILE 26 HD13 ILE 26 5.630 4.553 -0.062 209 H GLY 27 HN GLY 27 2.474 7.754 2.310 210 HA2 GLY 27 HA2 GLY 27 1.517 6.873 4.806 211 HA3 GLY 27 HA1 GLY 27 1.946 8.531 4.408 212 H ALA 28 HN ALA 28 0.075 8.979 2.368 213 HA ALA 28 HA ALA 28 -2.201 9.716 3.877 214 HB1 ALA 28 HB1 ALA 28 -1.484 10.984 1.922 215 HB2 ALA 28 HB2 ALA 28 -3.146 10.429 1.726 216 HB3 ALA 28 HB3 ALA 28 -1.838 9.604 0.883 217 H MET 29 HN MET 29 -1.661 7.214 1.416 218 HA MET 29 HA MET 29 -4.238 6.121 1.377 219 HB2 MET 29 HB2 MET 29 -2.604 5.553 -0.320 220 HB3 MET 29 HB1 MET 29 -1.544 4.837 0.884 221 HG2 MET 29 HG2 MET 29 -3.504 3.234 1.333 222 HG3 MET 29 HG1 MET 29 -4.112 3.787 -0.225 223 HE1 MET 29 HE1 MET 29 -0.387 3.102 1.036 224 HE2 MET 29 HE2 MET 29 -0.200 1.449 0.452 225 HE3 MET 29 HE3 MET 29 -1.395 1.814 1.695 226 H LEU 30 HN LEU 30 -1.455 5.461 3.417 227 HA LEU 30 HA LEU 30 -2.364 3.215 4.780 228 HB2 LEU 30 HB2 LEU 30 -0.126 4.739 4.842 229 HB3 LEU 30 HB1 LEU 30 -0.866 5.211 6.359 230 HG LEU 30 HG LEU 30 -0.924 2.361 6.160 231 HD11 LEU 30 HD11 LEU 30 1.784 3.615 5.710 232 HD12 LEU 30 HD12 LEU 30 0.915 2.572 4.581 233 HD13 LEU 30 HD13 LEU 30 1.493 1.923 6.117 234 HD21 LEU 30 HD21 LEU 30 0.352 2.523 8.234 235 HD22 LEU 30 HD22 LEU 30 -0.986 3.672 8.222 236 HD23 LEU 30 HD23 LEU 30 0.658 4.230 7.919 237 H SER 31 HN SER 31 -2.728 6.649 5.626 238 HA SER 31 HA SER 31 -4.157 6.290 8.010 239 HB2 SER 31 HB2 SER 31 -3.136 8.423 7.434 240 HB3 SER 31 HB1 SER 31 -4.208 8.588 6.044 241 HG SER 31 HG SER 31 -5.965 8.726 7.476 242 H LEU 32 HN LEU 32 -5.240 6.578 4.665 243 HA LEU 32 HA LEU 32 -8.000 6.769 5.166 244 HB2 LEU 32 HB2 LEU 32 -6.845 7.258 3.009 245 HB3 LEU 32 HB1 LEU 32 -6.632 5.539 2.769 246 HG LEU 32 HG LEU 32 -8.568 6.803 1.569 247 HD11 LEU 32 HD11 LEU 32 -8.242 4.430 1.384 248 HD12 LEU 32 HD12 LEU 32 -9.953 4.770 1.632 249 HD13 LEU 32 HD13 LEU 32 -8.971 4.169 2.967 250 HD21 LEU 32 HD21 LEU 32 -10.679 6.765 2.790 251 HD22 LEU 32 HD22 LEU 32 -9.516 7.855 3.544 252 HD23 LEU 32 HD23 LEU 32 -9.828 6.270 4.253 253 H LEU 33 HN LEU 33 -6.007 3.937 4.356 254 HA LEU 33 HA LEU 33 -8.079 2.049 4.466 255 HB2 LEU 33 HB2 LEU 33 -5.144 1.633 5.019 256 HB3 LEU 33 HB1 LEU 33 -6.303 0.375 4.637 257 HG LEU 33 HG LEU 33 -5.458 2.603 2.779 258 HD11 LEU 33 HD11 LEU 33 -4.346 0.843 1.519 259 HD12 LEU 33 HD12 LEU 33 -4.826 -0.346 2.730 260 HD13 LEU 33 HD13 LEU 33 -3.699 0.943 3.157 261 HD21 LEU 33 HD21 LEU 33 -7.298 0.253 2.364 262 HD22 LEU 33 HD22 LEU 33 -6.714 1.324 1.091 263 HD23 LEU 33 HD23 LEU 33 -7.748 1.959 2.371 264 H GLN 34 HN GLN 34 -5.994 3.345 6.987 265 HA GLN 34 HA GLN 34 -6.748 1.433 8.953 266 HB2 GLN 34 HB2 GLN 34 -5.477 4.152 9.173 267 HB3 GLN 34 HB1 GLN 34 -5.800 3.133 10.569 268 HG2 GLN 34 HG2 GLN 34 -4.406 1.360 9.488 269 HG3 GLN 34 HG1 GLN 34 -3.964 2.548 8.262 270 HE21 GLN 34 HE21 GLN 34 -2.205 1.199 10.076 271 HE22 GLN 34 HE22 GLN 34 -1.459 2.412 11.058 272 H LYS 35 HN LYS 35 -7.785 4.788 8.330 273 HA LYS 35 HA LYS 35 -9.605 4.881 10.489 274 HB2 LYS 35 HB2 LYS 35 -10.167 6.986 9.769 275 HB3 LYS 35 HB1 LYS 35 -8.596 6.797 9.006 276 HG2 LYS 35 HG2 LYS 35 -9.620 6.297 6.892 277 HG3 LYS 35 HG1 LYS 35 -11.224 6.290 7.631 278 HD2 LYS 35 HD2 LYS 35 -10.811 8.683 8.291 279 HD3 LYS 35 HD1 LYS 35 -9.365 8.635 7.279 280 HE2 LYS 35 HE2 LYS 35 -10.865 7.913 5.384 281 HE3 LYS 35 HE1 LYS 35 -12.233 8.298 6.429 282 HZ1 LYS 35 HZ1 LYS 35 -11.461 10.571 6.565 283 HZ2 LYS 35 HZ2 LYS 35 -11.662 10.130 4.946 284 HZ3 LYS 35 HZ3 LYS 35 -10.111 10.206 5.616 285 H GLU 36 HN GLU 36 -9.844 3.482 7.347 286 HA GLU 36 HA GLU 36 -12.728 3.436 7.332 287 HB2 GLU 36 HB2 GLU 36 -10.604 2.318 5.537 288 HB3 GLU 36 HB1 GLU 36 -12.271 1.789 5.376 289 HG2 GLU 36 HG2 GLU 36 -11.235 4.599 5.100 290 HG3 GLU 36 HG1 GLU 36 -11.837 3.557 3.814 291 H GLY 37 HN GLY 37 -10.474 1.775 9.055 292 HA2 GLY 37 HA2 GLY 37 -10.807 0.020 10.523 293 HA3 GLY 37 HA1 GLY 37 -12.392 -0.236 9.813 294 H LEU 38 HN LEU 38 -9.604 -0.114 7.754 295 HA LEU 38 HA LEU 38 -9.983 -2.957 7.175 296 HB2 LEU 38 HB2 LEU 38 -8.519 -0.785 5.677 297 HB3 LEU 38 HB1 LEU 38 -8.575 -2.460 5.167 298 HG LEU 38 HG LEU 38 -11.013 -0.709 5.481 299 HD11 LEU 38 HD11 LEU 38 -9.639 -1.533 2.927 300 HD12 LEU 38 HD12 LEU 38 -9.449 0.050 3.682 301 HD13 LEU 38 HD13 LEU 38 -11.031 -0.468 3.098 302 HD21 LEU 38 HD21 LEU 38 -12.081 -2.504 4.143 303 HD22 LEU 38 HD22 LEU 38 -11.532 -3.048 5.727 304 HD23 LEU 38 HD23 LEU 38 -10.597 -3.448 4.286 305 H LEU 39 HN LEU 39 -7.646 -0.671 8.347 306 HA LEU 39 HA LEU 39 -5.888 -2.898 9.103 307 HB2 LEU 39 HB2 LEU 39 -4.950 -0.222 8.057 308 HB3 LEU 39 HB1 LEU 39 -3.925 -1.535 8.600 309 HG LEU 39 HG LEU 39 -5.795 -1.851 6.267 310 HD11 LEU 39 HD11 LEU 39 -2.891 -1.076 6.132 311 HD12 LEU 39 HD12 LEU 39 -4.224 0.058 5.926 312 HD13 LEU 39 HD13 LEU 39 -4.016 -1.274 4.789 313 HD21 LEU 39 HD21 LEU 39 -4.386 -3.697 5.702 314 HD22 LEU 39 HD22 LEU 39 -4.846 -3.865 7.397 315 HD23 LEU 39 HD23 LEU 39 -3.238 -3.276 6.971 316 H MET 40 HN MET 40 -4.714 -2.538 11.049 317 HA MET 40 HA MET 40 -5.716 -0.256 12.635 318 HB2 MET 40 HB2 MET 40 -6.660 -2.444 13.342 319 HB3 MET 40 HB1 MET 40 -5.028 -3.023 13.645 320 HG2 MET 40 HG2 MET 40 -4.728 -1.394 15.392 321 HG3 MET 40 HG1 MET 40 -6.300 -0.680 15.033 322 HE1 MET 40 HE1 MET 40 -4.481 -3.969 16.049 323 HE2 MET 40 HE2 MET 40 -5.706 -4.597 14.943 324 HE3 MET 40 HE3 MET 40 -5.800 -4.967 16.666 325 H SER 41 HN SER 41 -3.064 -2.471 12.016 326 HA SER 41 HA SER 41 -1.215 -0.548 13.282 327 HB2 SER 41 HB2 SER 41 -0.647 -3.488 12.881 328 HB3 SER 41 HB1 SER 41 0.178 -2.352 13.948 329 HG SER 41 HG SER 41 -2.333 -3.593 14.253 330 HA PRO 42 HA PRO 42 0.673 -0.091 9.281 331 HB2 PRO 42 HB2 PRO 42 3.298 0.281 9.942 332 HB3 PRO 42 HB1 PRO 42 2.056 1.522 10.199 333 HG2 PRO 42 HG2 PRO 42 3.234 -0.393 12.151 334 HG3 PRO 42 HG1 PRO 42 2.858 1.330 12.345 335 HD2 PRO 42 HD2 PRO 42 1.246 -0.610 13.311 336 HD3 PRO 42 HD1 PRO 42 0.619 0.941 12.713 337 H SER 43 HN SER 43 1.413 -2.656 11.355 338 HA SER 43 HA SER 43 3.107 -4.043 9.422 339 HB2 SER 43 HB2 SER 43 2.673 -5.709 11.619 340 HB3 SER 43 HB1 SER 43 4.080 -4.674 11.357 341 HG SER 43 HG SER 43 3.386 -3.856 13.195 342 H ASP 44 HN ASP 44 -0.085 -3.576 9.843 343 HA ASP 44 HA ASP 44 -1.213 -6.165 9.831 344 HB2 ASP 44 HB2 ASP 44 -2.137 -3.425 9.461 345 HB3 ASP 44 HB1 ASP 44 -2.976 -4.555 8.407 346 H LEU 45 HN LEU 45 0.132 -4.154 7.354 347 HA LEU 45 HA LEU 45 -0.967 -5.460 5.101 348 HB2 LEU 45 HB2 LEU 45 0.819 -3.298 5.620 349 HB3 LEU 45 HB1 LEU 45 1.566 -4.361 4.444 350 HG LEU 45 HG LEU 45 0.258 -2.505 3.429 351 HD11 LEU 45 HD11 LEU 45 0.661 -4.515 2.146 352 HD12 LEU 45 HD12 LEU 45 -0.959 -3.903 1.814 353 HD13 LEU 45 HD13 LEU 45 -0.743 -5.293 2.875 354 HD21 LEU 45 HD21 LEU 45 -1.905 -2.110 3.875 355 HD22 LEU 45 HD22 LEU 45 -1.584 -3.018 5.352 356 HD23 LEU 45 HD23 LEU 45 -2.307 -3.825 3.961 357 H TYR 46 HN TYR 46 1.337 -6.541 7.308 358 HA TYR 46 HA TYR 46 2.916 -8.066 5.442 359 HB2 TYR 46 HB2 TYR 46 2.769 -8.074 8.456 360 HB3 TYR 46 HB1 TYR 46 3.841 -9.127 7.544 361 HD1 TYR 46 HD1 TYR 46 4.691 -7.191 5.394 362 HD2 TYR 46 HD2 TYR 46 4.297 -6.711 9.604 363 HE1 TYR 46 HE1 TYR 46 6.387 -5.413 5.344 364 HE2 TYR 46 HE2 TYR 46 5.993 -4.927 9.562 365 HH TYR 46 HH TYR 46 7.640 -3.976 8.301 366 H SER 47 HN SER 47 -0.155 -8.368 6.249 367 HA SER 47 HA SER 47 -0.113 -11.299 6.426 368 HB2 SER 47 HB2 SER 47 -2.630 -9.735 6.803 369 HB3 SER 47 HB1 SER 47 -2.098 -11.214 7.604 370 HG SER 47 HG SER 47 -1.364 -8.536 8.129 371 HA PRO 48 HA PRO 48 -1.071 -10.858 2.008 372 HB2 PRO 48 HB2 PRO 48 -1.124 -13.597 1.593 373 HB3 PRO 48 HB1 PRO 48 0.323 -12.581 1.494 374 HG2 PRO 48 HG2 PRO 48 -0.603 -14.322 3.708 375 HG3 PRO 48 HG1 PRO 48 1.041 -13.995 3.129 376 HD2 PRO 48 HD2 PRO 48 0.068 -12.865 5.363 377 HD3 PRO 48 HD1 PRO 48 1.213 -12.022 4.302 378 H GLY 49 HN GLY 49 -2.792 -12.874 4.331 379 HA2 GLY 49 HA2 GLY 49 -5.012 -13.398 2.599 380 HA3 GLY 49 HA1 GLY 49 -4.957 -13.675 4.333 381 H SER 50 HN SER 50 -4.055 -10.637 4.282 382 HA SER 50 HA SER 50 -6.784 -9.665 4.644 383 HB2 SER 50 HB2 SER 50 -4.197 -8.265 5.329 384 HB3 SER 50 HB1 SER 50 -5.811 -7.882 5.925 385 HG SER 50 HG SER 50 -5.009 -9.068 7.529 386 H TRP 51 HN TRP 51 -4.448 -9.688 2.260 387 HA TRP 51 HA TRP 51 -4.670 -7.034 1.275 388 HB2 TRP 51 HB2 TRP 51 -3.839 -9.581 -0.125 389 HB3 TRP 51 HB1 TRP 51 -3.666 -7.965 -0.795 390 HD1 TRP 51 HD1 TRP 51 -2.697 -6.977 2.349 391 HE1 TRP 51 HE1 TRP 51 -0.198 -7.336 2.868 392 HE3 TRP 51 HE3 TRP 51 -1.579 -10.369 -1.321 393 HZ2 TRP 51 HZ2 TRP 51 1.956 -8.836 1.842 394 HZ3 TRP 51 HZ3 TRP 51 0.731 -11.201 -1.489 395 HH2 TRP 51 HH2 TRP 51 2.460 -10.448 0.059 396 H ASP 52 HN ASP 52 -6.374 -10.038 0.582 397 HA ASP 52 HA ASP 52 -7.747 -9.240 -1.705 398 HB2 ASP 52 HB2 ASP 52 -8.509 -11.247 0.409 399 HB3 ASP 52 HB1 ASP 52 -9.399 -11.029 -1.093 400 HA PRO 53 HA PRO 53 -11.599 -8.028 1.074 401 HB2 PRO 53 HB2 PRO 53 -10.780 -7.043 3.560 402 HB3 PRO 53 HB1 PRO 53 -11.561 -8.607 3.272 403 HG2 PRO 53 HG2 PRO 53 -8.692 -7.979 3.656 404 HG3 PRO 53 HG1 PRO 53 -9.622 -9.398 4.172 405 HD2 PRO 53 HD2 PRO 53 -7.957 -9.505 2.078 406 HD3 PRO 53 HD1 PRO 53 -9.484 -10.413 2.103 407 H ILE 54 HN ILE 54 -8.474 -6.427 1.638 408 HA ILE 54 HA ILE 54 -9.572 -3.795 1.644 409 HB ILE 54 HB ILE 54 -6.720 -4.635 1.117 410 HG12 ILE 54 HG12 ILE 54 -8.030 -3.776 3.702 411 HG13 ILE 54 HG11 ILE 54 -7.655 -5.444 3.283 412 HG21 ILE 54 HG21 ILE 54 -6.156 -2.362 1.834 413 HG22 ILE 54 HG22 ILE 54 -7.869 -1.986 1.984 414 HG23 ILE 54 HG23 ILE 54 -7.183 -2.351 0.404 415 HD11 ILE 54 HD11 ILE 54 -5.960 -4.625 4.744 416 HD12 ILE 54 HD12 ILE 54 -5.711 -3.197 3.740 417 HD13 ILE 54 HD13 ILE 54 -5.259 -4.792 3.134 418 H THR 55 HN THR 55 -7.862 -5.728 -0.802 419 HA THR 55 HA THR 55 -7.868 -3.803 -2.846 420 HB THR 55 HB THR 55 -8.063 -6.799 -3.227 421 HG1 THR 55 HG1 THR 55 -6.295 -6.489 -1.935 422 HG21 THR 55 HG21 THR 55 -6.849 -6.371 -5.303 423 HG22 THR 55 HG22 THR 55 -6.842 -4.641 -4.954 424 HG23 THR 55 HG23 THR 55 -8.368 -5.470 -5.271 425 H ALA 56 HN ALA 56 -10.226 -6.306 -1.990 426 HA ALA 56 HA ALA 56 -11.998 -5.880 -4.136 427 HB1 ALA 56 HB1 ALA 56 -12.646 -6.917 -1.376 428 HB2 ALA 56 HB2 ALA 56 -12.009 -7.888 -2.704 429 HB3 ALA 56 HB3 ALA 56 -13.603 -7.150 -2.838 430 H ALA 57 HN ALA 57 -11.880 -4.532 -0.865 431 HA ALA 57 HA ALA 57 -14.273 -3.043 -1.060 432 HB1 ALA 57 HB1 ALA 57 -13.229 -3.607 1.082 433 HB2 ALA 57 HB2 ALA 57 -13.496 -1.871 0.924 434 HB3 ALA 57 HB3 ALA 57 -11.880 -2.539 0.700 435 H LEU 58 HN LEU 58 -10.856 -2.117 -1.471 436 HA LEU 58 HA LEU 58 -11.238 0.582 -2.034 437 HB2 LEU 58 HB2 LEU 58 -9.118 -1.392 -2.793 438 HB3 LEU 58 HB1 LEU 58 -9.069 0.235 -3.442 439 HG LEU 58 HG LEU 58 -9.112 -0.397 -0.493 440 HD11 LEU 58 HD11 LEU 58 -6.746 0.053 -0.491 441 HD12 LEU 58 HD12 LEU 58 -6.767 0.364 -2.224 442 HD13 LEU 58 HD13 LEU 58 -7.087 -1.260 -1.616 443 HD21 LEU 58 HD21 LEU 58 -9.960 1.805 -0.981 444 HD22 LEU 58 HD22 LEU 58 -8.592 2.135 -2.044 445 HD23 LEU 58 HD23 LEU 58 -8.335 1.947 -0.309 446 H SER 59 HN SER 59 -11.009 -2.139 -4.315 447 HA SER 59 HA SER 59 -11.387 -0.614 -6.646 448 HB2 SER 59 HB2 SER 59 -12.133 -3.512 -6.193 449 HB3 SER 59 HB1 SER 59 -11.854 -2.733 -7.751 450 HG SER 59 HG SER 59 -10.018 -3.438 -5.739 451 H GLN 60 HN GLN 60 -13.661 -2.047 -4.397 452 HA GLN 60 HA GLN 60 -15.999 -1.811 -5.943 453 HB2 GLN 60 HB2 GLN 60 -15.768 -3.149 -3.854 454 HB3 GLN 60 HB1 GLN 60 -15.738 -1.650 -2.939 455 HG2 GLN 60 HG2 GLN 60 -17.994 -1.127 -3.836 456 HG3 GLN 60 HG1 GLN 60 -18.015 -2.726 -4.579 457 HE21 GLN 60 HE21 GLN 60 -16.622 -1.967 -1.445 458 HE22 GLN 60 HE22 GLN 60 -17.757 -2.876 -0.512 459 H ARG 61 HN ARG 61 -14.876 0.288 -3.270 460 HA ARG 61 HA ARG 61 -16.802 2.294 -3.772 461 HB2 ARG 61 HB2 ARG 61 -15.223 3.744 -2.372 462 HB3 ARG 61 HB1 ARG 61 -15.909 2.317 -1.612 463 HG2 ARG 61 HG2 ARG 61 -13.914 1.319 -1.373 464 HG3 ARG 61 HG1 ARG 61 -13.315 1.906 -2.924 465 HD2 ARG 61 HD2 ARG 61 -13.665 3.745 -0.576 466 HD3 ARG 61 HD1 ARG 61 -12.201 2.788 -0.787 467 HE ARG 61 HE ARG 61 -12.932 4.307 -3.114 468 HH11 ARG 61 HH11 ARG 61 -10.189 5.740 -0.543 469 HH12 ARG 61 HH12 ARG 61 -11.242 4.442 -0.050 470 HH21 ARG 61 HH21 ARG 61 -11.553 5.995 -3.764 471 HH22 ARG 61 HH22 ARG 61 -10.353 6.612 -2.657 472 H ALA 62 HN ALA 62 -13.653 1.693 -5.138 473 HA ALA 62 HA ALA 62 -13.172 4.286 -6.150 474 HB1 ALA 62 HB1 ALA 62 -12.185 1.659 -7.248 475 HB2 ALA 62 HB2 ALA 62 -11.425 2.567 -5.942 476 HB3 ALA 62 HB3 ALA 62 -11.503 3.254 -7.565 477 H MET 63 HN MET 63 -14.599 1.403 -7.686 478 HA MET 63 HA MET 63 -15.107 2.780 -10.139 479 HB2 MET 63 HB2 MET 63 -16.184 0.776 -10.883 480 HB3 MET 63 HB1 MET 63 -14.763 0.313 -9.961 481 HG2 MET 63 HG2 MET 63 -16.146 -0.227 -8.048 482 HG3 MET 63 HG1 MET 63 -17.584 0.312 -8.915 483 HE1 MET 63 HE1 MET 63 -15.099 -3.437 -9.960 484 HE2 MET 63 HE2 MET 63 -14.748 -2.320 -8.638 485 HE3 MET 63 HE3 MET 63 -14.512 -1.812 -10.311 486 H ILE 64 HN ILE 64 -16.846 2.480 -7.168 487 HA ILE 64 HA ILE 64 -19.386 3.175 -8.366 488 HB ILE 64 HB ILE 64 -18.577 2.883 -5.471 489 HG12 ILE 64 HG12 ILE 64 -20.337 1.174 -7.247 490 HG13 ILE 64 HG11 ILE 64 -18.670 0.800 -6.814 491 HG21 ILE 64 HG21 ILE 64 -20.965 3.040 -4.932 492 HG22 ILE 64 HG22 ILE 64 -21.319 3.412 -6.621 493 HG23 ILE 64 HG23 ILE 64 -20.362 4.535 -5.653 494 HD11 ILE 64 HD11 ILE 64 -21.016 0.974 -4.940 495 HD12 ILE 64 HD12 ILE 64 -19.347 0.678 -4.451 496 HD13 ILE 64 HD13 ILE 64 -20.190 -0.490 -5.470 497 H LEU 65 HN LEU 65 -16.980 4.785 -6.286 498 HA LEU 65 HA LEU 65 -18.483 7.244 -6.302 499 HB2 LEU 65 HB2 LEU 65 -16.532 6.176 -4.667 500 HB3 LEU 65 HB1 LEU 65 -15.699 7.478 -5.495 501 HG LEU 65 HG LEU 65 -17.566 9.007 -4.769 502 HD11 LEU 65 HD11 LEU 65 -18.256 6.681 -2.985 503 HD12 LEU 65 HD12 LEU 65 -19.226 7.256 -4.341 504 HD13 LEU 65 HD13 LEU 65 -18.974 8.291 -2.936 505 HD21 LEU 65 HD21 LEU 65 -15.425 9.011 -3.641 506 HD22 LEU 65 HD22 LEU 65 -15.925 7.651 -2.636 507 HD23 LEU 65 HD23 LEU 65 -16.727 9.212 -2.469 508 H GLY 66 HN GLY 66 -15.876 5.876 -8.176 509 HA2 GLY 66 HA2 GLY 66 -15.379 6.652 -10.360 510 HA3 GLY 66 HA1 GLY 66 -16.021 8.224 -9.920 511 H LYS 67 HN LYS 67 -13.891 6.870 -7.605 512 HA LYS 67 HA LYS 67 -11.589 8.208 -8.805 513 HB2 LYS 67 HB2 LYS 67 -11.030 9.361 -6.702 514 HB3 LYS 67 HB1 LYS 67 -12.547 9.922 -7.381 515 HG2 LYS 67 HG2 LYS 67 -13.615 9.462 -5.498 516 HG3 LYS 67 HG1 LYS 67 -13.054 7.790 -5.542 517 HD2 LYS 67 HD2 LYS 67 -11.367 8.170 -4.084 518 HD3 LYS 67 HD1 LYS 67 -11.047 9.784 -4.715 519 HE2 LYS 67 HE2 LYS 67 -13.433 9.102 -3.006 520 HE3 LYS 67 HE1 LYS 67 -11.910 9.708 -2.358 521 HZ1 LYS 67 HZ1 LYS 67 -13.530 11.483 -2.679 522 HZ2 LYS 67 HZ2 LYS 67 -13.621 11.125 -4.329 523 HZ3 LYS 67 HZ3 LYS 67 -12.177 11.709 -3.673 524 H SER 68 HN SER 68 -9.765 7.098 -8.589 525 HA SER 68 HA SER 68 -9.692 4.931 -6.592 526 HB2 SER 68 HB2 SER 68 -8.219 4.645 -9.177 527 HB3 SER 68 HB1 SER 68 -8.949 3.407 -8.156 528 HG SER 68 HG SER 68 -10.772 5.158 -9.198 529 H GLY 69 HN GLY 69 -8.670 7.502 -6.106 530 HA2 GLY 69 HA2 GLY 69 -5.985 7.917 -6.735 531 HA3 GLY 69 HA1 GLY 69 -6.788 8.542 -5.304 532 H GLU 70 HN GLU 70 -7.252 6.558 -3.687 533 HA GLU 70 HA GLU 70 -4.687 5.781 -2.745 534 HB2 GLU 70 HB2 GLU 70 -7.345 4.640 -1.879 535 HB3 GLU 70 HB1 GLU 70 -5.858 4.706 -0.947 536 HG2 GLU 70 HG2 GLU 70 -6.817 6.499 -0.008 537 HG3 GLU 70 HG1 GLU 70 -6.222 7.329 -1.444 538 H LEU 71 HN LEU 71 -6.951 4.317 -4.871 539 HA LEU 71 HA LEU 71 -6.182 1.607 -4.541 540 HB2 LEU 71 HB2 LEU 71 -8.303 2.273 -5.579 541 HB3 LEU 71 HB1 LEU 71 -7.427 2.995 -6.913 542 HG LEU 71 HG LEU 71 -6.753 0.182 -6.516 543 HD11 LEU 71 HD11 LEU 71 -9.099 0.129 -5.775 544 HD12 LEU 71 HD12 LEU 71 -8.849 -0.728 -7.298 545 HD13 LEU 71 HD13 LEU 71 -9.577 0.880 -7.300 546 HD21 LEU 71 HD21 LEU 71 -6.140 1.537 -8.484 547 HD22 LEU 71 HD22 LEU 71 -7.852 1.695 -8.881 548 HD23 LEU 71 HD23 LEU 71 -7.083 0.110 -8.909 549 H LYS 72 HN LYS 72 -5.019 4.249 -6.551 550 HA LYS 72 HA LYS 72 -3.387 2.732 -8.277 551 HB2 LYS 72 HB2 LYS 72 -3.050 5.590 -7.341 552 HB3 LYS 72 HB1 LYS 72 -2.176 4.858 -8.678 553 HG2 LYS 72 HG2 LYS 72 -4.364 4.451 -9.797 554 HG3 LYS 72 HG1 LYS 72 -5.133 5.373 -8.502 555 HD2 LYS 72 HD2 LYS 72 -2.991 6.409 -10.357 556 HD3 LYS 72 HD1 LYS 72 -4.716 6.738 -10.505 557 HE2 LYS 72 HE2 LYS 72 -4.497 8.463 -9.128 558 HE3 LYS 72 HE1 LYS 72 -3.946 7.375 -7.851 559 HZ1 LYS 72 HZ1 LYS 72 -2.261 8.748 -9.869 560 HZ2 LYS 72 HZ2 LYS 72 -1.681 7.587 -8.795 561 HZ3 LYS 72 HZ3 LYS 72 -2.297 9.047 -8.207 562 H THR 73 HN THR 73 -2.751 4.261 -5.158 563 HA THR 73 HA THR 73 -0.006 3.600 -5.035 564 HB THR 73 HB THR 73 -1.718 3.897 -2.586 565 HG1 THR 73 HG1 THR 73 -0.835 6.072 -4.219 566 HG21 THR 73 HG21 THR 73 1.036 4.880 -3.347 567 HG22 THR 73 HG22 THR 73 0.666 3.538 -2.265 568 HG23 THR 73 HG23 THR 73 0.235 5.183 -1.803 569 H TRP 74 HN TRP 74 -2.894 2.096 -3.612 570 HA TRP 74 HA TRP 74 -1.676 -0.012 -2.276 571 HB2 TRP 74 HB2 TRP 74 -3.996 0.503 -1.887 572 HB3 TRP 74 HB1 TRP 74 -4.402 0.176 -3.569 573 HD1 TRP 74 HD1 TRP 74 -4.948 -2.297 -4.224 574 HE1 TRP 74 HE1 TRP 74 -5.143 -4.497 -2.897 575 HE3 TRP 74 HE3 TRP 74 -2.934 -0.751 0.210 576 HZ2 TRP 74 HZ2 TRP 74 -4.521 -5.445 -0.317 577 HZ3 TRP 74 HZ3 TRP 74 -2.776 -2.362 2.054 578 HH2 TRP 74 HH2 TRP 74 -3.553 -4.665 1.797 579 H GLY 75 HN GLY 75 -2.849 0.145 -5.618 580 HA2 GLY 75 HA2 GLY 75 -2.508 -2.511 -6.353 581 HA3 GLY 75 HA1 GLY 75 -2.387 -1.147 -7.452 582 H LEU 76 HN LEU 76 -0.102 0.084 -6.328 583 HA LEU 76 HA LEU 76 1.913 -1.549 -7.540 584 HB2 LEU 76 HB2 LEU 76 2.028 1.097 -6.109 585 HB3 LEU 76 HB1 LEU 76 3.446 0.316 -6.782 586 HG LEU 76 HG LEU 76 1.075 1.442 -8.251 587 HD11 LEU 76 HD11 LEU 76 2.973 2.925 -7.621 588 HD12 LEU 76 HD12 LEU 76 2.699 2.794 -9.357 589 HD13 LEU 76 HD13 LEU 76 4.025 1.910 -8.606 590 HD21 LEU 76 HD21 LEU 76 3.147 -0.503 -9.220 591 HD22 LEU 76 HD22 LEU 76 2.292 0.587 -10.308 592 HD23 LEU 76 HD23 LEU 76 1.390 -0.601 -9.368 593 H VAL 77 HN VAL 77 1.212 -0.506 -4.219 594 HA VAL 77 HA VAL 77 3.463 -1.696 -3.015 595 HB VAL 77 HB VAL 77 0.726 -1.239 -1.800 596 HG11 VAL 77 HG11 VAL 77 2.117 -2.772 -0.488 597 HG12 VAL 77 HG12 VAL 77 1.876 -1.235 0.345 598 HG13 VAL 77 HG13 VAL 77 3.409 -1.571 -0.462 599 HG21 VAL 77 HG21 VAL 77 1.766 0.795 -2.772 600 HG22 VAL 77 HG22 VAL 77 3.156 0.547 -1.714 601 HG23 VAL 77 HG23 VAL 77 1.567 0.878 -1.022 602 H LEU 78 HN LEU 78 0.270 -2.900 -3.833 603 HA LEU 78 HA LEU 78 0.462 -5.410 -2.562 604 HB2 LEU 78 HB2 LEU 78 -1.653 -4.389 -3.325 605 HB3 LEU 78 HB1 LEU 78 -1.146 -4.604 -4.989 606 HG LEU 78 HG LEU 78 -1.142 -7.069 -4.619 607 HD11 LEU 78 HD11 LEU 78 -2.357 -6.294 -1.975 608 HD12 LEU 78 HD12 LEU 78 -0.822 -7.126 -2.229 609 HD13 LEU 78 HD13 LEU 78 -2.338 -7.925 -2.643 610 HD21 LEU 78 HD21 LEU 78 -3.035 -6.078 -5.687 611 HD22 LEU 78 HD22 LEU 78 -3.698 -5.550 -4.141 612 HD23 LEU 78 HD23 LEU 78 -3.628 -7.269 -4.529 613 H GLY 79 HN GLY 79 1.107 -4.368 -5.892 614 HA2 GLY 79 HA2 GLY 79 1.800 -6.877 -6.940 615 HA3 GLY 79 HA1 GLY 79 2.332 -5.327 -7.575 616 H ALA 80 HN ALA 80 3.680 -4.541 -5.135 617 HA ALA 80 HA ALA 80 6.206 -5.772 -5.634 618 HB1 ALA 80 HB1 ALA 80 5.220 -3.685 -3.724 619 HB2 ALA 80 HB2 ALA 80 6.384 -3.531 -5.040 620 HB3 ALA 80 HB3 ALA 80 6.839 -4.362 -3.552 621 H LEU 81 HN LEU 81 3.898 -5.835 -2.946 622 HA LEU 81 HA LEU 81 5.399 -7.542 -1.277 623 HB2 LEU 81 HB2 LEU 81 2.488 -6.803 -1.396 624 HB3 LEU 81 HB1 LEU 81 3.087 -7.968 -0.231 625 HG LEU 81 HG LEU 81 4.231 -5.192 -0.428 626 HD11 LEU 81 HD11 LEU 81 1.976 -6.148 1.321 627 HD12 LEU 81 HD12 LEU 81 1.834 -5.015 -0.026 628 HD13 LEU 81 HD13 LEU 81 2.761 -4.571 1.409 629 HD21 LEU 81 HD21 LEU 81 4.199 -7.259 1.772 630 HD22 LEU 81 HD22 LEU 81 4.941 -5.661 1.866 631 HD23 LEU 81 HD23 LEU 81 5.577 -6.867 0.745 632 H LYS 82 HN LYS 82 2.888 -8.175 -3.684 633 HA LYS 82 HA LYS 82 2.554 -10.909 -3.198 634 HB2 LYS 82 HB2 LYS 82 2.174 -9.187 -5.625 635 HB3 LYS 82 HB1 LYS 82 1.990 -10.928 -5.752 636 HG2 LYS 82 HG2 LYS 82 0.321 -10.749 -3.852 637 HG3 LYS 82 HG1 LYS 82 0.369 -9.004 -4.117 638 HD2 LYS 82 HD2 LYS 82 -0.347 -9.311 -6.417 639 HD3 LYS 82 HD1 LYS 82 -0.321 -11.063 -6.214 640 HE2 LYS 82 HE2 LYS 82 -2.004 -10.703 -4.338 641 HE3 LYS 82 HE1 LYS 82 -2.173 -9.060 -4.953 642 HZ1 LYS 82 HZ1 LYS 82 -2.729 -11.570 -6.430 643 HZ2 LYS 82 HZ2 LYS 82 -2.766 -10.031 -7.128 644 HZ3 LYS 82 HZ3 LYS 82 -3.862 -10.433 -5.906 645 H ALA 83 HN ALA 83 4.857 -9.175 -5.222 646 HA ALA 83 HA ALA 83 6.064 -11.450 -6.396 647 HB1 ALA 83 HB1 ALA 83 7.170 -8.673 -5.978 648 HB2 ALA 83 HB2 ALA 83 6.261 -9.229 -7.384 649 HB3 ALA 83 HB3 ALA 83 7.854 -9.900 -7.042 650 H ALA 84 HN ALA 84 6.829 -9.485 -3.565 651 HA ALA 84 HA ALA 84 9.281 -10.599 -2.866 652 HB1 ALA 84 HB1 ALA 84 8.909 -9.699 -0.670 653 HB2 ALA 84 HB2 ALA 84 7.173 -9.605 -0.957 654 HB3 ALA 84 HB3 ALA 84 8.273 -8.569 -1.863 655 H ARG 85 HN ARG 85 6.011 -11.606 -1.919 656 HA ARG 85 HA ARG 85 7.018 -13.851 -0.407 657 HB2 ARG 85 HB2 ARG 85 4.265 -12.853 -1.087 658 HB3 ARG 85 HB1 ARG 85 4.500 -14.426 -0.341 659 HG2 ARG 85 HG2 ARG 85 5.887 -13.098 1.407 660 HG3 ARG 85 HG1 ARG 85 4.996 -11.709 0.782 661 HD2 ARG 85 HD2 ARG 85 2.890 -12.812 1.281 662 HD3 ARG 85 HD1 ARG 85 3.753 -14.243 1.841 663 HE ARG 85 HE ARG 85 3.794 -11.614 3.178 664 HH11 ARG 85 HH11 ARG 85 4.255 -15.171 5.003 665 HH12 ARG 85 HH12 ARG 85 4.098 -15.112 3.277 666 HH21 ARG 85 HH21 ARG 85 3.982 -11.705 5.448 667 HH22 ARG 85 HH22 ARG 85 4.198 -13.237 6.239 668 H GLU 86 HN GLU 86 6.543 -13.305 -3.657 669 HA GLU 86 HA GLU 86 5.682 -16.019 -4.284 670 HB2 GLU 86 HB2 GLU 86 5.378 -13.549 -5.557 671 HB3 GLU 86 HB1 GLU 86 6.509 -14.441 -6.568 672 HG2 GLU 86 HG2 GLU 86 4.911 -16.306 -6.669 673 HG3 GLU 86 HG1 GLU 86 3.775 -15.355 -5.714 674 H GLU 87 HN GLU 87 8.569 -14.212 -3.983 675 HA GLU 87 HA GLU 87 10.152 -15.844 -5.737 676 HB2 GLU 87 HB2 GLU 87 10.566 -13.390 -4.998 677 HB3 GLU 87 HB1 GLU 87 11.263 -14.107 -3.552 678 HG2 GLU 87 HG2 GLU 87 12.996 -15.118 -4.746 679 HG3 GLU 87 HG1 GLU 87 12.174 -14.905 -6.292 680 H1 IHP 101 H37 IHP 0 14.860 11.051 0.502 681 H2 IHP 101 H38 IHP 0 13.530 11.977 2.370 682 H3 IHP 101 H39 IHP 0 13.004 12.665 0.051 683 H4 IHP 101 H40 IHP 0 10.989 10.363 0.168 684 H5 IHP 101 H41 IHP 0 13.465 10.804 -1.568 685 H6 IHP 101 H42 IHP 0 12.851 8.764 0.630 Start of MODEL 10 1 H1 SER 1 HT1 SER 1 2.810 6.925 9.163 2 H2 SER 1 HT2 SER 1 1.799 5.611 9.488 3 H3 SER 1 HT3 SER 1 3.130 5.417 8.468 4 HA SER 1 HA SER 1 3.150 5.926 11.370 5 HB2 SER 1 HB2 SER 1 4.632 3.754 11.116 6 HB3 SER 1 HB1 SER 1 2.872 3.647 11.154 7 HG SER 1 HG SER 1 2.846 3.063 9.124 8 H GLU 2 HN GLU 2 5.886 4.363 10.156 9 HA GLU 2 HA GLU 2 7.382 6.724 9.499 10 HB2 GLU 2 HB2 GLU 2 9.028 6.144 11.480 11 HB3 GLU 2 HB1 GLU 2 7.658 7.220 11.726 12 HG2 GLU 2 HG2 GLU 2 6.410 5.045 12.394 13 HG3 GLU 2 HG1 GLU 2 8.032 4.401 12.616 14 H ALA 3 HN ALA 3 8.935 4.097 11.188 15 HA ALA 3 HA ALA 3 10.737 3.535 9.145 16 HB1 ALA 3 HB1 ALA 3 11.107 2.976 11.501 17 HB2 ALA 3 HB2 ALA 3 11.380 1.594 10.443 18 HB3 ALA 3 HB3 ALA 3 9.892 1.703 11.384 19 H VAL 4 HN VAL 4 7.678 1.941 9.951 20 HA VAL 4 HA VAL 4 7.858 -0.250 8.246 21 HB VAL 4 HB VAL 4 5.251 1.194 8.647 22 HG11 VAL 4 HG11 VAL 4 5.281 -0.795 7.222 23 HG12 VAL 4 HG12 VAL 4 4.348 -1.069 8.694 24 HG13 VAL 4 HG13 VAL 4 5.975 -1.733 8.544 25 HG21 VAL 4 HG21 VAL 4 5.091 -0.220 10.775 26 HG22 VAL 4 HG22 VAL 4 6.064 1.250 10.835 27 HG23 VAL 4 HG23 VAL 4 6.849 -0.320 10.682 28 H ILE 5 HN ILE 5 7.103 3.094 7.532 29 HA ILE 5 HA ILE 5 6.065 2.628 4.920 30 HB ILE 5 HB ILE 5 7.347 5.162 5.956 31 HG12 ILE 5 HG12 ILE 5 4.441 4.311 6.033 32 HG13 ILE 5 HG11 ILE 5 5.515 4.420 7.425 33 HG21 ILE 5 HG21 ILE 5 5.391 4.693 3.707 34 HG22 ILE 5 HG22 ILE 5 7.099 5.100 3.531 35 HG23 ILE 5 HG23 ILE 5 5.983 6.265 4.245 36 HD11 ILE 5 HD11 ILE 5 4.651 6.715 5.684 37 HD12 ILE 5 HD12 ILE 5 5.724 6.822 7.078 38 HD13 ILE 5 HD13 ILE 5 4.043 6.339 7.294 39 H LYS 6 HN LYS 6 9.224 3.641 6.179 40 HA LYS 6 HA LYS 6 10.564 3.880 3.741 41 HB2 LYS 6 HB2 LYS 6 11.517 3.263 6.528 42 HB3 LYS 6 HB1 LYS 6 12.636 3.365 5.178 43 HG2 LYS 6 HG2 LYS 6 10.777 5.575 6.027 44 HG3 LYS 6 HG1 LYS 6 12.474 5.450 6.495 45 HD2 LYS 6 HD2 LYS 6 12.979 5.370 3.993 46 HD3 LYS 6 HD1 LYS 6 11.315 5.908 3.758 47 HE2 LYS 6 HE2 LYS 6 11.803 7.843 5.246 48 HE3 LYS 6 HE1 LYS 6 13.489 7.336 5.281 49 HZ1 LYS 6 HZ1 LYS 6 11.984 8.071 2.830 50 HZ2 LYS 6 HZ2 LYS 6 13.623 7.663 2.908 51 HZ3 LYS 6 HZ3 LYS 6 13.069 9.080 3.643 52 H VAL 7 HN VAL 7 10.017 1.075 5.805 53 HA VAL 7 HA VAL 7 11.700 -0.745 4.485 54 HB VAL 7 HB VAL 7 9.119 -1.254 5.980 55 HG11 VAL 7 HG11 VAL 7 11.239 -3.194 5.073 56 HG12 VAL 7 HG12 VAL 7 9.567 -3.132 4.526 57 HG13 VAL 7 HG13 VAL 7 9.934 -3.580 6.193 58 HG21 VAL 7 HG21 VAL 7 10.830 -0.237 7.360 59 HG22 VAL 7 HG22 VAL 7 12.008 -1.434 6.821 60 HG23 VAL 7 HG23 VAL 7 10.632 -1.933 7.804 61 H ILE 8 HN ILE 8 8.321 0.147 3.927 62 HA ILE 8 HA ILE 8 7.909 -1.692 1.787 63 HB ILE 8 HB ILE 8 6.416 0.841 2.501 64 HG12 ILE 8 HG12 ILE 8 6.325 -0.856 4.253 65 HG13 ILE 8 HG11 ILE 8 4.758 -0.702 3.471 66 HG21 ILE 8 HG21 ILE 8 4.602 -0.023 1.093 67 HG22 ILE 8 HG22 ILE 8 5.628 -1.369 0.602 68 HG23 ILE 8 HG23 ILE 8 6.065 0.279 0.156 69 HD11 ILE 8 HD11 ILE 8 6.770 -2.899 3.105 70 HD12 ILE 8 HD12 ILE 8 5.326 -2.710 2.113 71 HD13 ILE 8 HD13 ILE 8 5.174 -3.006 3.846 72 H SER 9 HN SER 9 8.712 1.756 1.964 73 HA SER 9 HA SER 9 8.744 2.318 -0.761 74 HB2 SER 9 HB2 SER 9 10.522 3.521 1.378 75 HB3 SER 9 HB1 SER 9 10.136 4.242 -0.184 76 HG SER 9 HG SER 9 8.775 5.138 1.322 77 H SER 10 HN SER 10 11.449 1.365 1.355 78 HA SER 10 HA SER 10 13.463 1.332 -0.550 79 HB2 SER 10 HB2 SER 10 13.645 1.078 1.977 80 HB3 SER 10 HB1 SER 10 13.282 -0.630 1.732 81 HG SER 10 HG SER 10 15.510 0.853 0.813 82 H ALA 11 HN ALA 11 11.082 -1.141 0.225 83 HA ALA 11 HA ALA 11 12.282 -3.192 -1.333 84 HB1 ALA 11 HB1 ALA 11 9.476 -2.874 -0.291 85 HB2 ALA 11 HB2 ALA 11 10.791 -3.786 0.446 86 HB3 ALA 11 HB3 ALA 11 10.091 -4.331 -1.079 87 H CYS 12 HN CYS 12 9.583 -0.940 -1.961 88 HA CYS 12 HA CYS 12 9.016 -2.006 -4.527 89 HB2 CYS 12 HB2 CYS 12 7.593 -0.079 -4.861 90 HB3 CYS 12 HB1 CYS 12 7.377 -0.703 -3.231 91 HG CYS 12 HG CYS 12 9.551 1.430 -2.619 92 H LYS 13 HN LYS 13 11.554 0.036 -3.469 93 HA LYS 13 HA LYS 13 11.985 1.582 -5.787 94 HB2 LYS 13 HB2 LYS 13 14.096 0.545 -3.883 95 HB3 LYS 13 HB1 LYS 13 14.273 1.890 -4.997 96 HG2 LYS 13 HG2 LYS 13 12.366 1.822 -2.670 97 HG3 LYS 13 HG1 LYS 13 13.952 2.590 -2.665 98 HD2 LYS 13 HD2 LYS 13 13.263 4.165 -4.338 99 HD3 LYS 13 HD1 LYS 13 11.734 3.316 -4.575 100 HE2 LYS 13 HE2 LYS 13 10.826 4.643 -3.034 101 HE3 LYS 13 HE1 LYS 13 11.861 3.869 -1.837 102 HZ1 LYS 13 HZ1 LYS 13 12.278 6.150 -1.639 103 HZ2 LYS 13 HZ2 LYS 13 12.336 6.387 -3.307 104 HZ3 LYS 13 HZ3 LYS 13 13.591 5.571 -2.530 105 H THR 14 HN THR 14 12.800 -1.727 -4.990 106 HA THR 14 HA THR 14 14.377 -1.969 -7.439 107 HB THR 14 HB THR 14 14.000 -4.377 -5.805 108 HG1 THR 14 HG1 THR 14 15.457 -2.166 -4.725 109 HG21 THR 14 HG21 THR 14 16.401 -2.858 -6.834 110 HG22 THR 14 HG22 THR 14 15.664 -4.285 -7.560 111 HG23 THR 14 HG23 THR 14 16.476 -4.413 -6.001 112 H TYR 15 HN TYR 15 11.354 -3.077 -6.015 113 HA TYR 15 HA TYR 15 10.855 -5.030 -8.053 114 HB2 TYR 15 HB2 TYR 15 9.171 -3.848 -5.861 115 HB3 TYR 15 HB1 TYR 15 8.480 -4.931 -7.067 116 HD1 TYR 15 HD1 TYR 15 10.623 -4.675 -4.134 117 HD2 TYR 15 HD2 TYR 15 9.196 -7.284 -7.176 118 HE1 TYR 15 HE1 TYR 15 11.405 -6.612 -2.832 119 HE2 TYR 15 HE2 TYR 15 9.969 -9.223 -5.883 120 HH TYR 15 HH TYR 15 11.682 -9.705 -4.133 121 H CYS 16 HN CYS 16 9.655 -1.738 -7.427 122 HA CYS 16 HA CYS 16 8.285 -1.781 -10.018 123 HB2 CYS 16 HB2 CYS 16 8.209 0.363 -7.887 124 HB3 CYS 16 HB1 CYS 16 7.151 0.224 -9.286 125 HG CYS 16 HG CYS 16 6.144 -2.326 -8.310 126 H GLY 17 HN GLY 17 11.239 -0.943 -8.750 127 HA2 GLY 17 HA2 GLY 17 13.041 0.143 -9.674 128 HA3 GLY 17 HA1 GLY 17 12.087 0.351 -11.138 129 H LYS 18 HN LYS 18 12.343 2.453 -11.614 130 HA LYS 18 HA LYS 18 12.267 4.467 -9.536 131 HB2 LYS 18 HB2 LYS 18 12.685 6.064 -11.345 132 HB3 LYS 18 HB1 LYS 18 13.816 4.719 -11.428 133 HG2 LYS 18 HG2 LYS 18 12.266 3.704 -13.151 134 HG3 LYS 18 HG1 LYS 18 11.444 5.266 -13.186 135 HD2 LYS 18 HD2 LYS 18 14.351 4.746 -13.813 136 HD3 LYS 18 HD1 LYS 18 13.081 5.146 -14.969 137 HE2 LYS 18 HE2 LYS 18 12.779 7.316 -13.886 138 HE3 LYS 18 HE1 LYS 18 14.050 6.922 -12.730 139 HZ1 LYS 18 HZ1 LYS 18 15.644 6.863 -14.489 140 HZ2 LYS 18 HZ2 LYS 18 14.805 8.328 -14.582 141 HZ3 LYS 18 HZ3 LYS 18 14.444 7.082 -15.664 142 H THR 19 HN THR 19 9.983 2.731 -11.123 143 HA THR 19 HA THR 19 8.047 4.899 -11.364 144 HB THR 19 HB THR 19 7.233 2.074 -11.818 145 HG1 THR 19 HG1 THR 19 9.026 3.484 -13.546 146 HG21 THR 19 HG21 THR 19 6.019 3.034 -13.656 147 HG22 THR 19 HG22 THR 19 6.899 4.554 -13.508 148 HG23 THR 19 HG23 THR 19 5.773 4.059 -12.244 149 H SER 20 HN SER 20 9.212 3.780 -8.816 150 HA SER 20 HA SER 20 7.144 2.406 -7.424 151 HB2 SER 20 HB2 SER 20 8.605 3.201 -5.415 152 HB3 SER 20 HB1 SER 20 9.305 2.061 -6.565 153 HG SER 20 HG SER 20 9.614 4.881 -6.730 154 HA PRO 21 HA PRO 21 4.660 5.890 -6.315 155 HB2 PRO 21 HB2 PRO 21 3.434 4.922 -4.099 156 HB3 PRO 21 HB1 PRO 21 3.042 4.335 -5.729 157 HG2 PRO 21 HG2 PRO 21 4.741 3.091 -3.632 158 HG3 PRO 21 HG1 PRO 21 3.600 2.334 -4.758 159 HD2 PRO 21 HD2 PRO 21 6.312 2.341 -5.125 160 HD3 PRO 21 HD1 PRO 21 5.135 2.224 -6.446 161 H SER 22 HN SER 22 5.248 7.730 -5.329 162 HA SER 22 HA SER 22 7.344 8.002 -3.540 163 HB2 SER 22 HB2 SER 22 5.099 9.970 -3.411 164 HB3 SER 22 HB1 SER 22 6.832 10.256 -3.570 165 HG SER 22 HG SER 22 6.711 9.677 -5.727 166 H LYS 23 HN LYS 23 7.512 7.983 -1.322 167 HA LYS 23 HA LYS 23 5.646 6.469 0.114 168 HB2 LYS 23 HB2 LYS 23 7.317 6.341 1.570 169 HB3 LYS 23 HB1 LYS 23 8.217 7.479 0.584 170 HG2 LYS 23 HG2 LYS 23 6.270 8.537 2.565 171 HG3 LYS 23 HG1 LYS 23 7.818 7.906 3.133 172 HD2 LYS 23 HD2 LYS 23 9.036 9.508 1.994 173 HD3 LYS 23 HD1 LYS 23 7.730 9.824 0.855 174 HE2 LYS 23 HE2 LYS 23 6.449 10.932 2.583 175 HE3 LYS 23 HE1 LYS 23 7.697 10.558 3.772 176 HZ1 LYS 23 HZ1 LYS 23 8.221 12.152 1.340 177 HZ2 LYS 23 HZ2 LYS 23 9.211 11.973 2.698 178 HZ3 LYS 23 HZ3 LYS 23 7.772 12.849 2.815 179 H LYS 24 HN LYS 24 5.734 9.859 -0.551 180 HA LYS 24 HA LYS 24 4.122 10.814 1.547 181 HB2 LYS 24 HB2 LYS 24 4.716 11.754 -1.227 182 HB3 LYS 24 HB1 LYS 24 3.402 12.513 -0.342 183 HG2 LYS 24 HG2 LYS 24 5.037 12.945 1.511 184 HG3 LYS 24 HG1 LYS 24 6.308 12.418 0.408 185 HD2 LYS 24 HD2 LYS 24 4.363 14.619 -0.245 186 HD3 LYS 24 HD1 LYS 24 5.920 14.905 0.531 187 HE2 LYS 24 HE2 LYS 24 5.553 13.545 -2.138 188 HE3 LYS 24 HE1 LYS 24 5.962 15.246 -1.922 189 HZ1 LYS 24 HZ1 LYS 24 7.601 13.000 -0.902 190 HZ2 LYS 24 HZ2 LYS 24 8.007 14.638 -0.882 191 HZ3 LYS 24 HZ3 LYS 24 7.898 13.809 -2.351 192 H GLU 25 HN GLU 25 3.379 9.112 -1.403 193 HA GLU 25 HA GLU 25 0.530 9.540 -1.181 194 HB2 GLU 25 HB2 GLU 25 1.919 9.129 -3.337 195 HB3 GLU 25 HB1 GLU 25 1.840 7.432 -2.880 196 HG2 GLU 25 HG2 GLU 25 -0.591 7.520 -2.932 197 HG3 GLU 25 HG1 GLU 25 -0.528 9.227 -3.371 198 H ILE 26 HN ILE 26 2.884 7.046 -0.455 199 HA ILE 26 HA ILE 26 1.100 4.977 0.243 200 HB ILE 26 HB ILE 26 3.883 5.454 1.327 201 HG12 ILE 26 HG12 ILE 26 2.998 3.821 -1.065 202 HG13 ILE 26 HG11 ILE 26 3.798 5.387 -1.154 203 HG21 ILE 26 HG21 ILE 26 2.759 3.841 2.672 204 HG22 ILE 26 HG22 ILE 26 3.855 2.965 1.606 205 HG23 ILE 26 HG23 ILE 26 2.127 3.007 1.253 206 HD11 ILE 26 HD11 ILE 26 5.752 4.392 -0.007 207 HD12 ILE 26 HD12 ILE 26 5.394 3.649 -1.566 208 HD13 ILE 26 HD13 ILE 26 4.944 2.827 -0.071 209 H GLY 27 HN GLY 27 2.739 7.457 2.194 210 HA2 GLY 27 HA2 GLY 27 1.798 6.690 4.710 211 HA3 GLY 27 HA1 GLY 27 2.256 8.327 4.261 212 H ALA 28 HN ALA 28 0.289 8.689 2.239 213 HA ALA 28 HA ALA 28 -1.896 9.545 3.847 214 HB1 ALA 28 HB1 ALA 28 -1.270 10.797 1.877 215 HB2 ALA 28 HB2 ALA 28 -2.922 10.202 1.694 216 HB3 ALA 28 HB3 ALA 28 -1.598 9.402 0.849 217 H MET 29 HN MET 29 -1.391 6.912 1.552 218 HA MET 29 HA MET 29 -4.021 5.902 1.549 219 HB2 MET 29 HB2 MET 29 -2.334 5.267 -0.127 220 HB3 MET 29 HB1 MET 29 -1.406 4.439 1.117 221 HG2 MET 29 HG2 MET 29 -3.399 2.955 1.475 222 HG3 MET 29 HG1 MET 29 -4.113 3.689 0.040 223 HE1 MET 29 HE1 MET 29 -0.435 2.603 0.945 224 HE2 MET 29 HE2 MET 29 -0.321 1.065 0.091 225 HE3 MET 29 HE3 MET 29 -1.423 1.237 1.458 226 H LEU 30 HN LEU 30 -1.229 5.273 3.598 227 HA LEU 30 HA LEU 30 -2.187 3.109 5.076 228 HB2 LEU 30 HB2 LEU 30 -0.102 5.154 5.376 229 HB3 LEU 30 HB1 LEU 30 -0.698 4.524 6.899 230 HG LEU 30 HG LEU 30 -0.104 2.259 6.234 231 HD11 LEU 30 HD11 LEU 30 0.750 3.554 3.657 232 HD12 LEU 30 HD12 LEU 30 -0.455 2.286 3.884 233 HD13 LEU 30 HD13 LEU 30 1.252 1.939 4.155 234 HD21 LEU 30 HD21 LEU 30 2.249 2.459 6.401 235 HD22 LEU 30 HD22 LEU 30 1.558 3.813 7.294 236 HD23 LEU 30 HD23 LEU 30 2.229 4.070 5.683 237 H SER 31 HN SER 31 -2.549 6.582 5.612 238 HA SER 31 HA SER 31 -3.939 6.423 8.051 239 HB2 SER 31 HB2 SER 31 -2.873 8.486 7.146 240 HB3 SER 31 HB1 SER 31 -4.135 8.570 5.920 241 HG SER 31 HG SER 31 -5.325 9.532 7.336 242 H LEU 32 HN LEU 32 -5.000 6.414 4.697 243 HA LEU 32 HA LEU 32 -7.769 6.566 5.173 244 HB2 LEU 32 HB2 LEU 32 -6.544 6.944 2.994 245 HB3 LEU 32 HB1 LEU 32 -6.421 5.204 2.847 246 HG LEU 32 HG LEU 32 -8.326 6.533 1.624 247 HD11 LEU 32 HD11 LEU 32 -8.028 4.116 1.530 248 HD12 LEU 32 HD12 LEU 32 -9.733 4.543 1.670 249 HD13 LEU 32 HD13 LEU 32 -8.856 3.945 3.078 250 HD21 LEU 32 HD21 LEU 32 -10.411 6.620 2.866 251 HD22 LEU 32 HD22 LEU 32 -9.190 7.628 3.642 252 HD23 LEU 32 HD23 LEU 32 -9.592 6.050 4.321 253 H LEU 33 HN LEU 33 -5.617 3.785 4.649 254 HA LEU 33 HA LEU 33 -7.556 1.769 4.779 255 HB2 LEU 33 HB2 LEU 33 -4.715 1.534 5.763 256 HB3 LEU 33 HB1 LEU 33 -5.745 0.242 5.180 257 HG LEU 33 HG LEU 33 -4.643 2.497 3.501 258 HD11 LEU 33 HD11 LEU 33 -3.245 0.787 2.487 259 HD12 LEU 33 HD12 LEU 33 -3.897 -0.420 3.594 260 HD13 LEU 33 HD13 LEU 33 -2.928 0.915 4.218 261 HD21 LEU 33 HD21 LEU 33 -6.134 0.031 2.617 262 HD22 LEU 33 HD22 LEU 33 -5.564 1.357 1.603 263 HD23 LEU 33 HD23 LEU 33 -6.859 1.630 2.768 264 H GLN 34 HN GLN 34 -5.800 3.438 7.328 265 HA GLN 34 HA GLN 34 -6.703 1.721 9.427 266 HB2 GLN 34 HB2 GLN 34 -5.072 4.153 9.191 267 HB3 GLN 34 HB1 GLN 34 -5.983 4.033 10.690 268 HG2 GLN 34 HG2 GLN 34 -4.963 1.937 11.216 269 HG3 GLN 34 HG1 GLN 34 -4.182 1.866 9.638 270 HE21 GLN 34 HE21 GLN 34 -3.071 1.829 12.363 271 HE22 GLN 34 HE22 GLN 34 -1.925 3.125 12.413 272 H LYS 35 HN LYS 35 -7.755 4.897 8.210 273 HA LYS 35 HA LYS 35 -9.715 5.219 10.261 274 HB2 LYS 35 HB2 LYS 35 -10.391 7.201 9.172 275 HB3 LYS 35 HB1 LYS 35 -8.654 7.101 8.945 276 HG2 LYS 35 HG2 LYS 35 -8.830 6.960 6.716 277 HG3 LYS 35 HG1 LYS 35 -10.229 5.890 6.790 278 HD2 LYS 35 HD2 LYS 35 -10.394 8.832 7.405 279 HD3 LYS 35 HD1 LYS 35 -10.623 8.181 5.781 280 HE2 LYS 35 HE2 LYS 35 -12.488 6.841 6.546 281 HE3 LYS 35 HE1 LYS 35 -12.217 7.365 8.205 282 HZ1 LYS 35 HZ1 LYS 35 -12.828 9.269 6.027 283 HZ2 LYS 35 HZ2 LYS 35 -12.910 9.531 7.695 284 HZ3 LYS 35 HZ3 LYS 35 -14.037 8.524 6.942 285 H GLU 36 HN GLU 36 -9.657 3.404 7.368 286 HA GLU 36 HA GLU 36 -12.509 3.413 6.960 287 HB2 GLU 36 HB2 GLU 36 -10.232 1.867 5.770 288 HB3 GLU 36 HB1 GLU 36 -11.890 1.359 5.484 289 HG2 GLU 36 HG2 GLU 36 -10.703 4.036 4.790 290 HG3 GLU 36 HG1 GLU 36 -11.083 2.733 3.666 291 H GLY 37 HN GLY 37 -10.363 1.843 9.053 292 HA2 GLY 37 HA2 GLY 37 -10.916 0.453 10.835 293 HA3 GLY 37 HA1 GLY 37 -12.529 0.280 10.161 294 H LEU 38 HN LEU 38 -10.069 -0.291 7.900 295 HA LEU 38 HA LEU 38 -10.686 -3.132 7.941 296 HB2 LEU 38 HB2 LEU 38 -9.158 -1.397 6.008 297 HB3 LEU 38 HB1 LEU 38 -9.293 -3.138 5.832 298 HG LEU 38 HG LEU 38 -11.646 -1.240 5.870 299 HD11 LEU 38 HD11 LEU 38 -10.295 -2.567 3.519 300 HD12 LEU 38 HD12 LEU 38 -10.234 -0.848 3.915 301 HD13 LEU 38 HD13 LEU 38 -11.767 -1.595 3.466 302 HD21 LEU 38 HD21 LEU 38 -12.225 -3.481 6.589 303 HD22 LEU 38 HD22 LEU 38 -11.429 -4.169 5.174 304 HD23 LEU 38 HD23 LEU 38 -12.872 -3.173 4.979 305 H LEU 39 HN LEU 39 -7.967 -0.956 8.418 306 HA LEU 39 HA LEU 39 -6.431 -3.225 9.489 307 HB2 LEU 39 HB2 LEU 39 -5.336 -0.844 7.995 308 HB3 LEU 39 HB1 LEU 39 -4.377 -2.111 8.730 309 HG LEU 39 HG LEU 39 -6.278 -2.472 6.412 310 HD11 LEU 39 HD11 LEU 39 -3.272 -2.355 6.568 311 HD12 LEU 39 HD12 LEU 39 -4.344 -1.259 5.697 312 HD13 LEU 39 HD13 LEU 39 -4.169 -2.931 5.162 313 HD21 LEU 39 HD21 LEU 39 -5.280 -4.724 6.272 314 HD22 LEU 39 HD22 LEU 39 -6.187 -4.474 7.762 315 HD23 LEU 39 HD23 LEU 39 -4.427 -4.413 7.782 316 H MET 40 HN MET 40 -5.527 -2.916 11.461 317 HA MET 40 HA MET 40 -6.217 -0.442 12.833 318 HB2 MET 40 HB2 MET 40 -6.654 -2.707 13.846 319 HB3 MET 40 HB1 MET 40 -4.913 -2.912 13.984 320 HG2 MET 40 HG2 MET 40 -5.097 -0.596 15.240 321 HG3 MET 40 HG1 MET 40 -6.745 -1.150 15.517 322 HE1 MET 40 HE1 MET 40 -3.013 -1.529 16.297 323 HE2 MET 40 HE2 MET 40 -3.218 -3.025 15.387 324 HE3 MET 40 HE3 MET 40 -2.893 -3.085 17.120 325 H SER 41 HN SER 41 -3.367 -2.353 11.981 326 HA SER 41 HA SER 41 -1.718 0.006 12.591 327 HB2 SER 41 HB2 SER 41 0.081 -1.800 13.182 328 HB3 SER 41 HB1 SER 41 -1.142 -1.375 14.378 329 HG SER 41 HG SER 41 -2.013 -3.365 12.735 330 HA PRO 42 HA PRO 42 -0.005 -0.392 8.536 331 HB2 PRO 42 HB2 PRO 42 2.656 0.130 9.012 332 HB3 PRO 42 HB1 PRO 42 1.404 1.381 8.936 333 HG2 PRO 42 HG2 PRO 42 2.625 0.081 11.317 334 HG3 PRO 42 HG1 PRO 42 2.213 1.787 11.049 335 HD2 PRO 42 HD2 PRO 42 0.652 0.193 12.533 336 HD3 PRO 42 HD1 PRO 42 -0.033 1.454 11.486 337 H SER 43 HN SER 43 1.348 -2.256 11.142 338 HA SER 43 HA SER 43 3.037 -3.925 9.588 339 HB2 SER 43 HB2 SER 43 2.083 -5.217 11.984 340 HB3 SER 43 HB1 SER 43 3.690 -4.585 11.629 341 HG SER 43 HG SER 43 2.054 -3.641 13.383 342 H ASP 44 HN ASP 44 -0.335 -3.739 9.881 343 HA ASP 44 HA ASP 44 -0.973 -6.507 9.587 344 HB2 ASP 44 HB2 ASP 44 -2.530 -3.955 9.238 345 HB3 ASP 44 HB1 ASP 44 -3.223 -5.511 8.787 346 H LEU 45 HN LEU 45 0.310 -4.215 7.497 347 HA LEU 45 HA LEU 45 -0.862 -5.076 5.044 348 HB2 LEU 45 HB2 LEU 45 0.817 -3.008 5.877 349 HB3 LEU 45 HB1 LEU 45 1.805 -3.962 4.790 350 HG LEU 45 HG LEU 45 0.634 -2.060 3.698 351 HD11 LEU 45 HD11 LEU 45 -0.121 -4.805 2.728 352 HD12 LEU 45 HD12 LEU 45 1.375 -3.940 2.376 353 HD13 LEU 45 HD13 LEU 45 -0.160 -3.329 1.764 354 HD21 LEU 45 HD21 LEU 45 -1.453 -2.382 5.127 355 HD22 LEU 45 HD22 LEU 45 -1.892 -3.649 3.981 356 HD23 LEU 45 HD23 LEU 45 -1.683 -1.989 3.425 357 H TYR 46 HN TYR 46 1.458 -6.427 7.127 358 HA TYR 46 HA TYR 46 2.914 -7.846 5.068 359 HB2 TYR 46 HB2 TYR 46 2.969 -8.061 8.086 360 HB3 TYR 46 HB1 TYR 46 4.014 -8.983 7.011 361 HD1 TYR 46 HD1 TYR 46 5.471 -7.558 5.361 362 HD2 TYR 46 HD2 TYR 46 3.712 -6.022 8.918 363 HE1 TYR 46 HE1 TYR 46 7.108 -5.723 5.374 364 HE2 TYR 46 HE2 TYR 46 5.341 -4.181 8.936 365 HH TYR 46 HH TYR 46 7.440 -3.571 8.076 366 H SER 47 HN SER 47 -0.058 -8.200 6.520 367 HA SER 47 HA SER 47 -0.075 -11.108 6.557 368 HB2 SER 47 HB2 SER 47 -2.480 -9.323 6.918 369 HB3 SER 47 HB1 SER 47 -2.199 -10.937 7.572 370 HG SER 47 HG SER 47 -0.258 -9.614 8.567 371 HA PRO 48 HA PRO 48 -1.164 -11.042 2.190 372 HB2 PRO 48 HB2 PRO 48 -1.384 -13.756 1.919 373 HB3 PRO 48 HB1 PRO 48 0.167 -12.892 1.929 374 HG2 PRO 48 HG2 PRO 48 -1.170 -14.390 4.124 375 HG3 PRO 48 HG1 PRO 48 0.544 -14.342 3.670 376 HD2 PRO 48 HD2 PRO 48 -0.446 -12.928 5.752 377 HD3 PRO 48 HD1 PRO 48 0.924 -12.362 4.774 378 H GLY 49 HN GLY 49 -2.981 -12.854 4.630 379 HA2 GLY 49 HA2 GLY 49 -5.243 -13.367 2.990 380 HA3 GLY 49 HA1 GLY 49 -5.191 -13.461 4.743 381 H SER 50 HN SER 50 -4.195 -10.576 4.703 382 HA SER 50 HA SER 50 -6.845 -9.409 4.814 383 HB2 SER 50 HB2 SER 50 -4.239 -8.028 5.456 384 HB3 SER 50 HB1 SER 50 -5.857 -7.639 6.044 385 HG SER 50 HG SER 50 -4.777 -8.754 7.648 386 H TRP 51 HN TRP 51 -4.492 -9.721 2.468 387 HA TRP 51 HA TRP 51 -4.546 -7.121 1.319 388 HB2 TRP 51 HB2 TRP 51 -3.779 -9.811 0.194 389 HB3 TRP 51 HB1 TRP 51 -3.634 -8.315 -0.717 390 HD1 TRP 51 HD1 TRP 51 -2.661 -6.996 2.379 391 HE1 TRP 51 HE1 TRP 51 -0.130 -7.190 2.837 392 HE3 TRP 51 HE3 TRP 51 -1.476 -10.566 -1.087 393 HZ2 TRP 51 HZ2 TRP 51 2.065 -8.656 1.860 394 HZ3 TRP 51 HZ3 TRP 51 0.862 -11.310 -1.256 395 HH2 TRP 51 HH2 TRP 51 2.595 -10.372 0.187 396 H ASP 52 HN ASP 52 -6.239 -10.135 0.500 397 HA ASP 52 HA ASP 52 -7.566 -9.300 -1.764 398 HB2 ASP 52 HB2 ASP 52 -8.143 -11.390 0.279 399 HB3 ASP 52 HB1 ASP 52 -9.400 -10.992 -0.890 400 HA PRO 53 HA PRO 53 -11.427 -7.895 0.934 401 HB2 PRO 53 HB2 PRO 53 -10.542 -6.858 3.388 402 HB3 PRO 53 HB1 PRO 53 -11.431 -8.371 3.153 403 HG2 PRO 53 HG2 PRO 53 -8.536 -7.930 3.546 404 HG3 PRO 53 HG1 PRO 53 -9.562 -9.283 4.066 405 HD2 PRO 53 HD2 PRO 53 -7.867 -9.507 1.995 406 HD3 PRO 53 HD1 PRO 53 -9.435 -10.341 2.019 407 H ILE 54 HN ILE 54 -8.250 -6.382 1.535 408 HA ILE 54 HA ILE 54 -9.186 -3.710 1.470 409 HB ILE 54 HB ILE 54 -6.426 -4.727 0.774 410 HG12 ILE 54 HG12 ILE 54 -7.476 -3.666 3.402 411 HG13 ILE 54 HG11 ILE 54 -7.231 -5.372 3.038 412 HG21 ILE 54 HG21 ILE 54 -5.681 -2.456 1.326 413 HG22 ILE 54 HG22 ILE 54 -7.361 -1.971 1.562 414 HG23 ILE 54 HG23 ILE 54 -6.801 -2.464 -0.036 415 HD11 ILE 54 HD11 ILE 54 -5.384 -4.576 4.317 416 HD12 ILE 54 HD12 ILE 54 -5.125 -3.238 3.201 417 HD13 ILE 54 HD13 ILE 54 -4.828 -4.895 2.675 418 H THR 55 HN THR 55 -7.627 -5.739 -1.004 419 HA THR 55 HA THR 55 -7.649 -3.928 -3.109 420 HB THR 55 HB THR 55 -8.091 -6.906 -3.398 421 HG1 THR 55 HG1 THR 55 -6.090 -7.196 -2.755 422 HG21 THR 55 HG21 THR 55 -6.883 -6.632 -5.490 423 HG22 THR 55 HG22 THR 55 -6.665 -4.914 -5.165 424 HG23 THR 55 HG23 THR 55 -8.282 -5.558 -5.458 425 H ALA 56 HN ALA 56 -10.127 -6.275 -2.128 426 HA ALA 56 HA ALA 56 -11.954 -5.735 -4.207 427 HB1 ALA 56 HB1 ALA 56 -12.351 -6.862 -1.440 428 HB2 ALA 56 HB2 ALA 56 -12.216 -7.744 -2.962 429 HB3 ALA 56 HB3 ALA 56 -13.638 -6.753 -2.640 430 H ALA 57 HN ALA 57 -11.746 -4.466 -0.882 431 HA ALA 57 HA ALA 57 -14.001 -2.799 -1.015 432 HB1 ALA 57 HB1 ALA 57 -12.949 -3.394 1.096 433 HB2 ALA 57 HB2 ALA 57 -13.039 -1.641 0.920 434 HB3 ALA 57 HB3 ALA 57 -11.509 -2.477 0.650 435 H LEU 58 HN LEU 58 -10.586 -2.133 -1.723 436 HA LEU 58 HA LEU 58 -10.949 0.620 -2.261 437 HB2 LEU 58 HB2 LEU 58 -8.803 -1.314 -3.112 438 HB3 LEU 58 HB1 LEU 58 -8.749 0.398 -3.487 439 HG LEU 58 HG LEU 58 -8.551 -0.922 -0.791 440 HD11 LEU 58 HD11 LEU 58 -6.489 0.412 -0.668 441 HD12 LEU 58 HD12 LEU 58 -6.786 0.994 -2.306 442 HD13 LEU 58 HD13 LEU 58 -6.482 -0.720 -2.019 443 HD21 LEU 58 HD21 LEU 58 -10.041 0.852 -0.354 444 HD22 LEU 58 HD22 LEU 58 -9.184 1.946 -1.439 445 HD23 LEU 58 HD23 LEU 58 -8.445 1.458 0.087 446 H SER 59 HN SER 59 -10.910 -2.238 -4.382 447 HA SER 59 HA SER 59 -11.203 -0.800 -6.792 448 HB2 SER 59 HB2 SER 59 -12.117 -3.625 -6.171 449 HB3 SER 59 HB1 SER 59 -11.860 -2.946 -7.780 450 HG SER 59 HG SER 59 -9.912 -3.417 -5.763 451 H GLN 60 HN GLN 60 -13.474 -1.971 -4.412 452 HA GLN 60 HA GLN 60 -15.842 -1.584 -5.892 453 HB2 GLN 60 HB2 GLN 60 -15.686 -2.957 -3.837 454 HB3 GLN 60 HB1 GLN 60 -15.446 -1.491 -2.896 455 HG2 GLN 60 HG2 GLN 60 -17.670 -0.702 -3.665 456 HG3 GLN 60 HG1 GLN 60 -17.905 -2.259 -4.455 457 HE21 GLN 60 HE21 GLN 60 -16.267 -1.868 -1.393 458 HE22 GLN 60 HE22 GLN 60 -17.479 -2.637 -0.432 459 H ARG 61 HN ARG 61 -14.351 0.460 -3.351 460 HA ARG 61 HA ARG 61 -16.184 2.581 -3.669 461 HB2 ARG 61 HB2 ARG 61 -14.659 3.918 -2.329 462 HB3 ARG 61 HB1 ARG 61 -14.808 2.303 -1.654 463 HG2 ARG 61 HG2 ARG 61 -12.665 1.764 -2.933 464 HG3 ARG 61 HG1 ARG 61 -12.490 3.511 -3.118 465 HD2 ARG 61 HD2 ARG 61 -13.083 2.518 -0.396 466 HD3 ARG 61 HD1 ARG 61 -11.495 2.126 -1.039 467 HE ARG 61 HE ARG 61 -11.303 4.619 -1.439 468 HH11 ARG 61 HH11 ARG 61 -13.075 4.642 2.174 469 HH12 ARG 61 HH12 ARG 61 -13.239 3.252 1.144 470 HH21 ARG 61 HH21 ARG 61 -11.037 6.427 -0.059 471 HH22 ARG 61 HH22 ARG 61 -11.841 6.440 1.486 472 H ALA 62 HN ALA 62 -13.288 1.728 -5.391 473 HA ALA 62 HA ALA 62 -12.763 4.241 -6.570 474 HB1 ALA 62 HB1 ALA 62 -12.089 1.468 -7.531 475 HB2 ALA 62 HB2 ALA 62 -11.080 2.517 -6.536 476 HB3 ALA 62 HB3 ALA 62 -11.433 2.959 -8.207 477 H MET 63 HN MET 63 -14.603 1.422 -7.742 478 HA MET 63 HA MET 63 -15.319 2.776 -10.173 479 HB2 MET 63 HB2 MET 63 -16.622 0.798 -10.700 480 HB3 MET 63 HB1 MET 63 -15.024 0.345 -10.133 481 HG2 MET 63 HG2 MET 63 -15.950 -0.208 -7.946 482 HG3 MET 63 HG1 MET 63 -17.551 0.276 -8.499 483 HE1 MET 63 HE1 MET 63 -14.731 -1.735 -10.420 484 HE2 MET 63 HE2 MET 63 -15.230 -3.391 -10.079 485 HE3 MET 63 HE3 MET 63 -14.666 -2.352 -8.769 486 H ILE 64 HN ILE 64 -16.787 2.366 -7.028 487 HA ILE 64 HA ILE 64 -19.405 3.158 -7.922 488 HB ILE 64 HB ILE 64 -18.271 2.864 -5.141 489 HG12 ILE 64 HG12 ILE 64 -20.183 1.158 -6.754 490 HG13 ILE 64 HG11 ILE 64 -18.498 0.773 -6.416 491 HG21 ILE 64 HG21 ILE 64 -20.527 3.094 -4.296 492 HG22 ILE 64 HG22 ILE 64 -21.147 3.315 -5.932 493 HG23 ILE 64 HG23 ILE 64 -20.096 4.535 -5.219 494 HD11 ILE 64 HD11 ILE 64 -20.769 0.925 -4.454 495 HD12 ILE 64 HD12 ILE 64 -19.077 0.765 -3.990 496 HD13 ILE 64 HD13 ILE 64 -19.853 -0.501 -4.940 497 H LEU 65 HN LEU 65 -16.829 4.755 -6.024 498 HA LEU 65 HA LEU 65 -18.316 7.232 -6.005 499 HB2 LEU 65 HB2 LEU 65 -15.823 6.234 -4.775 500 HB3 LEU 65 HB1 LEU 65 -15.884 7.956 -5.105 501 HG LEU 65 HG LEU 65 -17.997 8.086 -3.786 502 HD11 LEU 65 HD11 LEU 65 -18.623 6.234 -2.348 503 HD12 LEU 65 HD12 LEU 65 -17.330 5.246 -3.027 504 HD13 LEU 65 HD13 LEU 65 -18.683 5.745 -4.041 505 HD21 LEU 65 HD21 LEU 65 -15.857 8.656 -2.778 506 HD22 LEU 65 HD22 LEU 65 -15.603 6.969 -2.333 507 HD23 LEU 65 HD23 LEU 65 -16.919 7.886 -1.599 508 H GLY 66 HN GLY 66 -15.813 5.786 -7.932 509 HA2 GLY 66 HA2 GLY 66 -15.298 6.510 -10.116 510 HA3 GLY 66 HA1 GLY 66 -15.949 8.093 -9.721 511 H LYS 67 HN LYS 67 -13.792 6.732 -7.420 512 HA LYS 67 HA LYS 67 -11.555 8.246 -8.559 513 HB2 LYS 67 HB2 LYS 67 -10.991 9.126 -6.318 514 HB3 LYS 67 HB1 LYS 67 -12.540 9.710 -6.897 515 HG2 LYS 67 HG2 LYS 67 -13.435 9.065 -4.980 516 HG3 LYS 67 HG1 LYS 67 -13.101 7.392 -5.428 517 HD2 LYS 67 HD2 LYS 67 -11.040 7.392 -4.278 518 HD3 LYS 67 HD1 LYS 67 -11.042 9.150 -4.120 519 HE2 LYS 67 HE2 LYS 67 -13.128 7.397 -2.845 520 HE3 LYS 67 HE1 LYS 67 -11.623 7.828 -2.037 521 HZ1 LYS 67 HZ1 LYS 67 -13.524 9.287 -1.482 522 HZ2 LYS 67 HZ2 LYS 67 -13.562 9.818 -3.088 523 HZ3 LYS 67 HZ3 LYS 67 -12.205 10.119 -2.130 524 H SER 68 HN SER 68 -9.657 7.197 -8.497 525 HA SER 68 HA SER 68 -9.495 4.767 -6.836 526 HB2 SER 68 HB2 SER 68 -7.755 4.241 -8.841 527 HB3 SER 68 HB1 SER 68 -9.455 3.779 -8.895 528 HG SER 68 HG SER 68 -8.098 5.554 -10.430 529 H GLY 69 HN GLY 69 -8.679 7.393 -6.038 530 HA2 GLY 69 HA2 GLY 69 -5.966 7.939 -6.419 531 HA3 GLY 69 HA1 GLY 69 -6.907 8.436 -5.022 532 H GLU 70 HN GLU 70 -7.517 6.132 -3.772 533 HA GLU 70 HA GLU 70 -5.008 5.410 -2.579 534 HB2 GLU 70 HB2 GLU 70 -7.674 4.086 -2.081 535 HB3 GLU 70 HB1 GLU 70 -6.306 4.214 -0.983 536 HG2 GLU 70 HG2 GLU 70 -7.581 5.839 -0.083 537 HG3 GLU 70 HG1 GLU 70 -6.796 6.811 -1.325 538 H LEU 71 HN LEU 71 -7.129 4.056 -4.943 539 HA LEU 71 HA LEU 71 -6.300 1.362 -4.835 540 HB2 LEU 71 HB2 LEU 71 -8.350 2.130 -5.954 541 HB3 LEU 71 HB1 LEU 71 -7.380 2.929 -7.174 542 HG LEU 71 HG LEU 71 -6.739 0.095 -6.935 543 HD11 LEU 71 HD11 LEU 71 -9.081 -0.091 -6.329 544 HD12 LEU 71 HD12 LEU 71 -8.815 -0.709 -7.960 545 HD13 LEU 71 HD13 LEU 71 -9.538 0.883 -7.726 546 HD21 LEU 71 HD21 LEU 71 -6.032 1.581 -8.776 547 HD22 LEU 71 HD22 LEU 71 -7.724 1.781 -9.238 548 HD23 LEU 71 HD23 LEU 71 -6.963 0.196 -9.346 549 H LYS 72 HN LYS 72 -5.047 4.161 -6.576 550 HA LYS 72 HA LYS 72 -3.275 2.819 -8.288 551 HB2 LYS 72 HB2 LYS 72 -3.224 5.595 -7.119 552 HB3 LYS 72 HB1 LYS 72 -1.999 5.029 -8.245 553 HG2 LYS 72 HG2 LYS 72 -3.962 4.476 -9.802 554 HG3 LYS 72 HG1 LYS 72 -4.914 5.511 -8.734 555 HD2 LYS 72 HD2 LYS 72 -2.361 6.351 -10.110 556 HD3 LYS 72 HD1 LYS 72 -3.983 6.702 -10.710 557 HE2 LYS 72 HE2 LYS 72 -4.477 8.036 -8.785 558 HE3 LYS 72 HE1 LYS 72 -2.976 7.543 -7.999 559 HZ1 LYS 72 HZ1 LYS 72 -3.192 9.173 -10.475 560 HZ2 LYS 72 HZ2 LYS 72 -1.747 8.674 -9.755 561 HZ3 LYS 72 HZ3 LYS 72 -2.767 9.743 -8.941 562 H THR 73 HN THR 73 -2.717 4.279 -5.110 563 HA THR 73 HA THR 73 -0.011 3.601 -4.871 564 HB THR 73 HB THR 73 -1.777 3.722 -2.463 565 HG1 THR 73 HG1 THR 73 -1.175 5.912 -4.211 566 HG21 THR 73 HG21 THR 73 0.877 4.968 -3.183 567 HG22 THR 73 HG22 THR 73 0.636 3.541 -2.173 568 HG23 THR 73 HG23 THR 73 0.068 5.117 -1.623 569 H TRP 74 HN TRP 74 -2.953 1.945 -3.799 570 HA TRP 74 HA TRP 74 -1.759 -0.174 -2.436 571 HB2 TRP 74 HB2 TRP 74 -4.129 0.306 -2.246 572 HB3 TRP 74 HB1 TRP 74 -4.378 -0.093 -3.942 573 HD1 TRP 74 HD1 TRP 74 -5.223 -2.473 -4.362 574 HE1 TRP 74 HE1 TRP 74 -5.231 -4.693 -3.048 575 HE3 TRP 74 HE3 TRP 74 -2.507 -1.010 -0.281 576 HZ2 TRP 74 HZ2 TRP 74 -4.222 -5.683 -0.617 577 HZ3 TRP 74 HZ3 TRP 74 -2.077 -2.658 1.495 578 HH2 TRP 74 HH2 TRP 74 -2.917 -4.946 1.328 579 H GLY 75 HN GLY 75 -2.677 0.091 -5.843 580 HA2 GLY 75 HA2 GLY 75 -2.214 -2.515 -6.657 581 HA3 GLY 75 HA1 GLY 75 -2.024 -1.106 -7.682 582 H LEU 76 HN LEU 76 0.132 0.132 -6.466 583 HA LEU 76 HA LEU 76 2.266 -1.424 -7.528 584 HB2 LEU 76 HB2 LEU 76 2.132 1.205 -6.087 585 HB3 LEU 76 HB1 LEU 76 3.667 0.475 -6.519 586 HG LEU 76 HG LEU 76 1.517 1.053 -8.548 587 HD11 LEU 76 HD11 LEU 76 2.324 3.098 -7.299 588 HD12 LEU 76 HD12 LEU 76 2.535 3.117 -9.047 589 HD13 LEU 76 HD13 LEU 76 3.912 2.782 -7.997 590 HD21 LEU 76 HD21 LEU 76 4.451 0.395 -8.711 591 HD22 LEU 76 HD22 LEU 76 3.507 0.987 -10.077 592 HD23 LEU 76 HD23 LEU 76 3.097 -0.553 -9.323 593 H VAL 77 HN VAL 77 1.325 -0.516 -4.221 594 HA VAL 77 HA VAL 77 3.538 -1.726 -2.945 595 HB VAL 77 HB VAL 77 0.762 -1.193 -1.868 596 HG11 VAL 77 HG11 VAL 77 1.861 -2.862 -0.500 597 HG12 VAL 77 HG12 VAL 77 1.816 -1.321 0.358 598 HG13 VAL 77 HG13 VAL 77 3.313 -1.862 -0.401 599 HG21 VAL 77 HG21 VAL 77 3.316 0.398 -1.663 600 HG22 VAL 77 HG22 VAL 77 1.802 0.784 -0.847 601 HG23 VAL 77 HG23 VAL 77 1.890 0.829 -2.607 602 H LEU 78 HN LEU 78 0.278 -2.896 -3.681 603 HA LEU 78 HA LEU 78 0.488 -5.421 -2.474 604 HB2 LEU 78 HB2 LEU 78 -1.644 -4.489 -3.159 605 HB3 LEU 78 HB1 LEU 78 -1.147 -4.503 -4.839 606 HG LEU 78 HG LEU 78 -0.985 -7.045 -4.605 607 HD11 LEU 78 HD11 LEU 78 -2.529 -6.382 -2.108 608 HD12 LEU 78 HD12 LEU 78 -1.008 -7.266 -2.228 609 HD13 LEU 78 HD13 LEU 78 -2.494 -7.977 -2.858 610 HD21 LEU 78 HD21 LEU 78 -3.681 -5.721 -4.351 611 HD22 LEU 78 HD22 LEU 78 -3.364 -7.319 -5.025 612 HD23 LEU 78 HD23 LEU 78 -2.750 -5.881 -5.840 613 H GLY 79 HN GLY 79 1.100 -4.402 -5.821 614 HA2 GLY 79 HA2 GLY 79 1.794 -6.931 -6.826 615 HA3 GLY 79 HA1 GLY 79 2.291 -5.392 -7.511 616 H ALA 80 HN ALA 80 3.722 -4.472 -5.206 617 HA ALA 80 HA ALA 80 6.238 -5.694 -5.731 618 HB1 ALA 80 HB1 ALA 80 5.524 -3.769 -3.528 619 HB2 ALA 80 HB2 ALA 80 5.961 -3.302 -5.172 620 HB3 ALA 80 HB3 ALA 80 7.139 -4.118 -4.143 621 H LEU 81 HN LEU 81 4.013 -5.773 -2.968 622 HA LEU 81 HA LEU 81 5.730 -7.385 -1.362 623 HB2 LEU 81 HB2 LEU 81 2.914 -6.444 -1.172 624 HB3 LEU 81 HB1 LEU 81 3.404 -7.792 -0.167 625 HG LEU 81 HG LEU 81 4.712 -5.073 -0.177 626 HD11 LEU 81 HD11 LEU 81 2.836 -6.353 1.804 627 HD12 LEU 81 HD12 LEU 81 2.493 -4.965 0.773 628 HD13 LEU 81 HD13 LEU 81 3.702 -4.834 2.049 629 HD21 LEU 81 HD21 LEU 81 5.196 -7.540 1.479 630 HD22 LEU 81 HD22 LEU 81 5.803 -5.939 1.899 631 HD23 LEU 81 HD23 LEU 81 6.336 -6.720 0.411 632 H LYS 82 HN LYS 82 3.067 -8.087 -3.568 633 HA LYS 82 HA LYS 82 2.728 -10.792 -2.889 634 HB2 LYS 82 HB2 LYS 82 2.139 -9.175 -5.338 635 HB3 LYS 82 HB1 LYS 82 2.030 -10.927 -5.426 636 HG2 LYS 82 HG2 LYS 82 0.501 -10.795 -3.411 637 HG3 LYS 82 HG1 LYS 82 0.442 -9.056 -3.701 638 HD2 LYS 82 HD2 LYS 82 -0.540 -9.366 -5.847 639 HD3 LYS 82 HD1 LYS 82 -0.228 -11.101 -5.808 640 HE2 LYS 82 HE2 LYS 82 -1.752 -11.213 -3.803 641 HE3 LYS 82 HE1 LYS 82 -2.189 -9.541 -4.143 642 HZ1 LYS 82 HZ1 LYS 82 -2.561 -11.840 -5.986 643 HZ2 LYS 82 HZ2 LYS 82 -2.959 -10.235 -6.335 644 HZ3 LYS 82 HZ3 LYS 82 -3.781 -11.063 -5.112 645 H ALA 83 HN ALA 83 4.767 -9.275 -5.366 646 HA ALA 83 HA ALA 83 5.911 -11.631 -6.372 647 HB1 ALA 83 HB1 ALA 83 7.179 -8.894 -6.263 648 HB2 ALA 83 HB2 ALA 83 6.022 -9.422 -7.487 649 HB3 ALA 83 HB3 ALA 83 7.592 -10.210 -7.362 650 H ALA 84 HN ALA 84 6.659 -9.692 -3.575 651 HA ALA 84 HA ALA 84 9.219 -10.851 -3.054 652 HB1 ALA 84 HB1 ALA 84 9.062 -9.702 -0.896 653 HB2 ALA 84 HB2 ALA 84 7.374 -9.312 -1.226 654 HB3 ALA 84 HB3 ALA 84 8.649 -8.630 -2.236 655 H ARG 85 HN ARG 85 5.913 -11.482 -1.962 656 HA ARG 85 HA ARG 85 6.734 -13.449 -0.032 657 HB2 ARG 85 HB2 ARG 85 4.162 -12.330 -0.977 658 HB3 ARG 85 HB1 ARG 85 4.108 -13.969 -0.344 659 HG2 ARG 85 HG2 ARG 85 5.451 -12.934 1.645 660 HG3 ARG 85 HG1 ARG 85 4.763 -11.423 1.050 661 HD2 ARG 85 HD2 ARG 85 2.532 -12.285 1.291 662 HD3 ARG 85 HD1 ARG 85 3.153 -13.873 1.727 663 HE ARG 85 HE ARG 85 3.426 -11.455 3.395 664 HH11 ARG 85 HH11 ARG 85 3.221 -15.225 4.767 665 HH12 ARG 85 HH12 ARG 85 3.231 -14.940 3.057 666 HH21 ARG 85 HH21 ARG 85 3.340 -11.838 5.646 667 HH22 ARG 85 HH22 ARG 85 3.287 -13.470 6.235 668 H GLU 86 HN GLU 86 6.556 -13.500 -3.347 669 HA GLU 86 HA GLU 86 6.060 -16.403 -3.384 670 HB2 GLU 86 HB2 GLU 86 5.870 -14.399 -5.640 671 HB3 GLU 86 HB1 GLU 86 5.607 -16.127 -5.801 672 HG2 GLU 86 HG2 GLU 86 3.734 -15.921 -4.162 673 HG3 GLU 86 HG1 GLU 86 3.948 -14.174 -4.232 674 H GLU 87 HN GLU 87 8.542 -14.894 -2.710 675 HA GLU 87 HA GLU 87 10.285 -16.154 -4.712 676 HB2 GLU 87 HB2 GLU 87 10.159 -13.598 -4.798 677 HB3 GLU 87 HB1 GLU 87 10.990 -13.617 -3.249 678 HG2 GLU 87 HG2 GLU 87 12.962 -14.262 -4.153 679 HG3 GLU 87 HG1 GLU 87 12.197 -15.200 -5.433 680 H1 IHP 101 H37 IHP 0 14.328 11.686 0.975 681 H2 IHP 101 H38 IHP 0 12.603 12.337 2.622 682 H3 IHP 101 H39 IHP 0 12.271 12.921 0.237 683 H4 IHP 101 H40 IHP 0 10.727 10.279 0.127 684 H5 IHP 101 H41 IHP 0 13.311 11.194 -1.241 685 H6 IHP 101 H42 IHP 0 12.767 9.055 0.873 Start of MODEL 11 1 H1 SER 1 HT1 SER 1 2.572 4.864 9.201 2 H2 SER 1 HT2 SER 1 2.267 4.242 10.744 3 H3 SER 1 HT3 SER 1 3.730 3.893 9.969 4 HA SER 1 HA SER 1 2.849 6.594 10.760 5 HB2 SER 1 HB2 SER 1 5.080 5.169 12.130 6 HB3 SER 1 HB1 SER 1 3.967 6.381 12.762 7 HG SER 1 HG SER 1 2.928 4.740 13.568 8 H GLU 2 HN GLU 2 5.957 4.810 10.445 9 HA GLU 2 HA GLU 2 6.720 6.376 8.163 10 HB2 GLU 2 HB2 GLU 2 8.732 7.382 9.338 11 HB3 GLU 2 HB1 GLU 2 7.172 8.098 9.719 12 HG2 GLU 2 HG2 GLU 2 7.109 6.671 11.763 13 HG3 GLU 2 HG1 GLU 2 8.768 6.192 11.406 14 H ALA 3 HN ALA 3 7.961 4.371 10.834 15 HA ALA 3 HA ALA 3 10.297 3.465 9.664 16 HB1 ALA 3 HB1 ALA 3 9.694 3.087 12.014 17 HB2 ALA 3 HB2 ALA 3 10.195 1.596 11.212 18 HB3 ALA 3 HB3 ALA 3 8.485 1.908 11.501 19 H VAL 4 HN VAL 4 7.097 1.889 9.536 20 HA VAL 4 HA VAL 4 7.910 -0.274 7.925 21 HB VAL 4 HB VAL 4 5.154 0.948 8.206 22 HG11 VAL 4 HG11 VAL 4 5.302 -0.445 6.210 23 HG12 VAL 4 HG12 VAL 4 4.321 -1.231 7.446 24 HG13 VAL 4 HG13 VAL 4 5.979 -1.766 7.166 25 HG21 VAL 4 HG21 VAL 4 4.771 -0.813 9.850 26 HG22 VAL 4 HG22 VAL 4 6.128 0.207 10.330 27 HG23 VAL 4 HG23 VAL 4 6.423 -1.388 9.637 28 H ILE 5 HN ILE 5 7.006 3.002 7.140 29 HA ILE 5 HA ILE 5 6.365 2.623 4.423 30 HB ILE 5 HB ILE 5 7.505 5.094 5.734 31 HG12 ILE 5 HG12 ILE 5 4.651 4.226 5.221 32 HG13 ILE 5 HG11 ILE 5 5.425 4.375 6.795 33 HG21 ILE 5 HG21 ILE 5 6.127 4.689 3.082 34 HG22 ILE 5 HG22 ILE 5 7.773 5.260 3.357 35 HG23 ILE 5 HG23 ILE 5 6.401 6.266 3.823 36 HD11 ILE 5 HD11 ILE 5 4.772 6.605 4.886 37 HD12 ILE 5 HD12 ILE 5 5.666 6.799 6.392 38 HD13 ILE 5 HD13 ILE 5 3.989 6.254 6.427 39 H LYS 6 HN LYS 6 9.453 3.307 6.047 40 HA LYS 6 HA LYS 6 10.983 3.623 3.697 41 HB2 LYS 6 HB2 LYS 6 11.820 2.666 6.439 42 HB3 LYS 6 HB1 LYS 6 12.945 3.020 5.138 43 HG2 LYS 6 HG2 LYS 6 11.117 4.953 6.540 44 HG3 LYS 6 HG1 LYS 6 12.877 4.892 6.618 45 HD2 LYS 6 HD2 LYS 6 11.270 5.486 4.130 46 HD3 LYS 6 HD1 LYS 6 12.028 6.696 5.156 47 HE2 LYS 6 HE2 LYS 6 14.223 5.556 4.705 48 HE3 LYS 6 HE1 LYS 6 13.383 4.577 3.504 49 HZ1 LYS 6 HZ1 LYS 6 14.452 6.474 2.463 50 HZ2 LYS 6 HZ2 LYS 6 13.615 7.545 3.475 51 HZ3 LYS 6 HZ3 LYS 6 12.771 6.621 2.341 52 H VAL 7 HN VAL 7 10.111 0.798 5.599 53 HA VAL 7 HA VAL 7 11.707 -1.072 4.208 54 HB VAL 7 HB VAL 7 9.078 -1.637 5.595 55 HG11 VAL 7 HG11 VAL 7 11.461 -3.421 5.103 56 HG12 VAL 7 HG12 VAL 7 9.958 -3.464 4.187 57 HG13 VAL 7 HG13 VAL 7 9.956 -3.876 5.902 58 HG21 VAL 7 HG21 VAL 7 10.516 -0.429 7.120 59 HG22 VAL 7 HG22 VAL 7 11.865 -1.503 6.742 60 HG23 VAL 7 HG23 VAL 7 10.453 -2.130 7.591 61 H ILE 8 HN ILE 8 8.357 -0.015 3.811 62 HA ILE 8 HA ILE 8 7.695 -1.722 1.676 63 HB ILE 8 HB ILE 8 6.609 1.014 2.370 64 HG12 ILE 8 HG12 ILE 8 6.262 -0.673 4.116 65 HG13 ILE 8 HG11 ILE 8 4.738 -0.238 3.353 66 HG21 ILE 8 HG21 ILE 8 4.679 0.445 0.973 67 HG22 ILE 8 HG22 ILE 8 5.487 -1.040 0.470 68 HG23 ILE 8 HG23 ILE 8 6.168 0.527 0.030 69 HD11 ILE 8 HD11 ILE 8 6.345 -2.737 2.868 70 HD12 ILE 8 HD12 ILE 8 4.880 -2.291 1.991 71 HD13 ILE 8 HD13 ILE 8 4.810 -2.605 3.725 72 H SER 9 HN SER 9 8.895 1.637 1.707 73 HA SER 9 HA SER 9 8.990 2.028 -1.053 74 HB2 SER 9 HB2 SER 9 10.678 3.193 1.165 75 HB3 SER 9 HB1 SER 9 10.787 3.733 -0.509 76 HG SER 9 HG SER 9 9.286 4.858 1.053 77 H SER 10 HN SER 10 11.439 0.657 1.121 78 HA SER 10 HA SER 10 13.507 0.413 -0.758 79 HB2 SER 10 HB2 SER 10 12.898 -1.265 1.687 80 HB3 SER 10 HB1 SER 10 14.423 -1.303 0.802 81 HG SER 10 HG SER 10 13.298 0.808 2.315 82 H ALA 11 HN ALA 11 10.613 -1.415 -0.301 83 HA ALA 11 HA ALA 11 11.575 -3.698 -1.801 84 HB1 ALA 11 HB1 ALA 11 8.796 -3.126 -0.779 85 HB2 ALA 11 HB2 ALA 11 10.042 -4.004 0.107 86 HB3 ALA 11 HB3 ALA 11 9.396 -4.666 -1.393 87 H CYS 12 HN CYS 12 8.932 -1.307 -2.202 88 HA CYS 12 HA CYS 12 8.258 -2.126 -4.801 89 HB2 CYS 12 HB2 CYS 12 7.238 0.242 -4.956 90 HB3 CYS 12 HB1 CYS 12 6.606 -0.868 -3.746 91 HG CYS 12 HG CYS 12 8.057 2.096 -3.354 92 H LYS 13 HN LYS 13 10.495 0.437 -3.725 93 HA LYS 13 HA LYS 13 11.017 1.396 -6.343 94 HB2 LYS 13 HB2 LYS 13 12.628 1.620 -3.800 95 HB3 LYS 13 HB1 LYS 13 13.049 2.440 -5.297 96 HG2 LYS 13 HG2 LYS 13 10.820 3.560 -5.231 97 HG3 LYS 13 HG1 LYS 13 10.571 2.845 -3.639 98 HD2 LYS 13 HD2 LYS 13 12.696 3.960 -2.908 99 HD3 LYS 13 HD1 LYS 13 12.701 4.814 -4.452 100 HE2 LYS 13 HE2 LYS 13 10.401 5.654 -3.867 101 HE3 LYS 13 HE1 LYS 13 10.644 4.981 -2.257 102 HZ1 LYS 13 HZ1 LYS 13 12.366 6.485 -1.821 103 HZ2 LYS 13 HZ2 LYS 13 11.187 7.424 -2.589 104 HZ3 LYS 13 HZ3 LYS 13 12.547 6.907 -3.442 105 H THR 14 HN THR 14 11.874 -1.501 -4.901 106 HA THR 14 HA THR 14 14.234 -1.813 -6.615 107 HB THR 14 HB THR 14 13.321 -3.512 -4.283 108 HG1 THR 14 HG1 THR 14 14.280 -1.965 -3.195 109 HG21 THR 14 HG21 THR 14 15.583 -4.524 -4.455 110 HG22 THR 14 HG22 THR 14 15.837 -3.632 -5.954 111 HG23 THR 14 HG23 THR 14 14.573 -4.860 -5.863 112 H TYR 15 HN TYR 15 11.072 -3.202 -5.876 113 HA TYR 15 HA TYR 15 11.410 -5.320 -7.816 114 HB2 TYR 15 HB2 TYR 15 9.157 -4.485 -6.008 115 HB3 TYR 15 HB1 TYR 15 8.912 -5.688 -7.268 116 HD1 TYR 15 HD1 TYR 15 10.100 -5.089 -3.939 117 HD2 TYR 15 HD2 TYR 15 10.359 -7.780 -7.224 118 HE1 TYR 15 HE1 TYR 15 10.984 -6.827 -2.441 119 HE2 TYR 15 HE2 TYR 15 11.241 -9.525 -5.729 120 HH TYR 15 HH TYR 15 12.270 -9.821 -3.658 121 H CYS 16 HN CYS 16 9.480 -2.353 -7.527 122 HA CYS 16 HA CYS 16 8.566 -2.653 -10.283 123 HB2 CYS 16 HB2 CYS 16 7.864 -0.358 -8.466 124 HB3 CYS 16 HB1 CYS 16 6.937 -1.025 -9.807 125 HG CYS 16 HG CYS 16 6.698 -3.536 -8.218 126 H GLY 17 HN GLY 17 10.449 -0.467 -8.248 127 HA2 GLY 17 HA2 GLY 17 12.455 0.525 -9.196 128 HA3 GLY 17 HA1 GLY 17 11.586 0.685 -10.717 129 H LYS 18 HN LYS 18 11.804 2.879 -10.946 130 HA LYS 18 HA LYS 18 11.128 4.657 -8.780 131 HB2 LYS 18 HB2 LYS 18 11.654 6.458 -10.318 132 HB3 LYS 18 HB1 LYS 18 12.912 5.233 -10.375 133 HG2 LYS 18 HG2 LYS 18 11.517 4.342 -12.405 134 HG3 LYS 18 HG1 LYS 18 10.904 5.996 -12.434 135 HD2 LYS 18 HD2 LYS 18 13.790 5.129 -12.626 136 HD3 LYS 18 HD1 LYS 18 12.803 5.813 -13.920 137 HE2 LYS 18 HE2 LYS 18 12.672 7.923 -12.778 138 HE3 LYS 18 HE1 LYS 18 13.472 7.254 -11.356 139 HZ1 LYS 18 HZ1 LYS 18 15.427 6.834 -12.848 140 HZ2 LYS 18 HZ2 LYS 18 15.090 8.460 -12.540 141 HZ3 LYS 18 HZ3 LYS 18 14.655 7.774 -14.023 142 H THR 19 HN THR 19 9.241 2.808 -10.591 143 HA THR 19 HA THR 19 7.178 4.729 -11.269 144 HB THR 19 HB THR 19 6.163 2.098 -11.430 145 HG1 THR 19 HG1 THR 19 8.620 2.122 -12.807 146 HG21 THR 19 HG21 THR 19 6.369 2.492 -13.882 147 HG22 THR 19 HG22 THR 19 7.303 3.944 -13.528 148 HG23 THR 19 HG23 THR 19 5.622 3.832 -13.011 149 H SER 20 HN SER 20 8.216 3.535 -8.482 150 HA SER 20 HA SER 20 5.789 2.610 -7.268 151 HB2 SER 20 HB2 SER 20 8.347 3.476 -5.913 152 HB3 SER 20 HB1 SER 20 7.110 2.386 -5.282 153 HG SER 20 HG SER 20 9.108 1.925 -7.169 154 HA PRO 21 HA PRO 21 4.240 6.486 -5.817 155 HB2 PRO 21 HB2 PRO 21 3.329 5.386 -3.300 156 HB3 PRO 21 HB1 PRO 21 2.379 5.764 -4.745 157 HG2 PRO 21 HG2 PRO 21 2.814 3.238 -3.819 158 HG3 PRO 21 HG1 PRO 21 2.440 3.641 -5.506 159 HD2 PRO 21 HD2 PRO 21 5.068 2.996 -4.258 160 HD3 PRO 21 HD1 PRO 21 4.443 2.567 -5.863 161 H SER 22 HN SER 22 4.686 8.191 -4.452 162 HA SER 22 HA SER 22 7.194 8.122 -3.102 163 HB2 SER 22 HB2 SER 22 6.401 10.494 -2.411 164 HB3 SER 22 HB1 SER 22 6.683 10.178 -4.122 165 HG SER 22 HG SER 22 4.570 10.223 -4.511 166 H LYS 23 HN LYS 23 7.416 8.977 -0.821 167 HA LYS 23 HA LYS 23 6.094 7.289 0.983 168 HB2 LYS 23 HB2 LYS 23 8.229 8.199 1.567 169 HB3 LYS 23 HB1 LYS 23 7.645 9.846 1.384 170 HG2 LYS 23 HG2 LYS 23 6.197 8.263 3.379 171 HG3 LYS 23 HG1 LYS 23 7.901 8.541 3.746 172 HD2 LYS 23 HD2 LYS 23 6.198 10.821 2.843 173 HD3 LYS 23 HD1 LYS 23 6.078 10.261 4.510 174 HE2 LYS 23 HE2 LYS 23 7.672 12.092 4.305 175 HE3 LYS 23 HE1 LYS 23 8.470 10.606 4.810 176 HZ1 LYS 23 HZ1 LYS 23 8.499 11.814 2.098 177 HZ2 LYS 23 HZ2 LYS 23 9.116 10.282 2.455 178 HZ3 LYS 23 HZ3 LYS 23 9.798 11.650 3.163 179 H LYS 24 HN LYS 24 5.423 10.539 -0.101 180 HA LYS 24 HA LYS 24 3.477 11.275 1.784 181 HB2 LYS 24 HB2 LYS 24 4.135 12.138 -1.007 182 HB3 LYS 24 HB1 LYS 24 2.662 12.724 -0.248 183 HG2 LYS 24 HG2 LYS 24 3.790 14.236 0.918 184 HG3 LYS 24 HG1 LYS 24 4.898 13.012 1.538 185 HD2 LYS 24 HD2 LYS 24 5.191 14.098 -1.245 186 HD3 LYS 24 HD1 LYS 24 5.862 14.960 0.142 187 HE2 LYS 24 HE2 LYS 24 7.089 12.902 0.766 188 HE3 LYS 24 HE1 LYS 24 6.486 12.136 -0.701 189 HZ1 LYS 24 HZ1 LYS 24 8.040 14.650 -0.787 190 HZ2 LYS 24 HZ2 LYS 24 7.748 13.554 -2.042 191 HZ3 LYS 24 HZ3 LYS 24 8.793 13.138 -0.783 192 H GLU 25 HN GLU 25 3.264 9.499 -1.245 193 HA GLU 25 HA GLU 25 0.417 9.393 -1.317 194 HB2 GLU 25 HB2 GLU 25 2.389 8.878 -3.126 195 HB3 GLU 25 HB1 GLU 25 1.920 7.243 -2.674 196 HG2 GLU 25 HG2 GLU 25 -0.429 7.830 -3.208 197 HG3 GLU 25 HG1 GLU 25 0.136 9.395 -3.795 198 H ILE 26 HN ILE 26 2.955 7.143 -0.288 199 HA ILE 26 HA ILE 26 1.301 4.981 0.374 200 HB ILE 26 HB ILE 26 3.936 5.747 1.646 201 HG12 ILE 26 HG12 ILE 26 3.364 3.844 -0.638 202 HG13 ILE 26 HG11 ILE 26 3.996 5.476 -0.834 203 HG21 ILE 26 HG21 ILE 26 2.658 4.130 2.978 204 HG22 ILE 26 HG22 ILE 26 4.113 3.412 2.285 205 HG23 ILE 26 HG23 ILE 26 2.538 3.076 1.568 206 HD11 ILE 26 HD11 ILE 26 5.756 3.810 -0.990 207 HD12 ILE 26 HD12 ILE 26 5.356 3.220 0.624 208 HD13 ILE 26 HD13 ILE 26 5.995 4.851 0.413 209 H GLY 27 HN GLY 27 2.522 7.633 2.419 210 HA2 GLY 27 HA2 GLY 27 1.334 6.783 4.821 211 HA3 GLY 27 HA1 GLY 27 1.803 8.436 4.448 212 H ALA 28 HN ALA 28 0.099 8.805 2.214 213 HA ALA 28 HA ALA 28 -2.256 9.666 3.493 214 HB1 ALA 28 HB1 ALA 28 -1.324 10.681 1.436 215 HB2 ALA 28 HB2 ALA 28 -3.036 10.281 1.290 216 HB3 ALA 28 HB3 ALA 28 -1.824 9.247 0.539 217 H MET 29 HN MET 29 -1.688 6.961 1.257 218 HA MET 29 HA MET 29 -4.333 5.975 1.318 219 HB2 MET 29 HB2 MET 29 -2.770 5.382 -0.458 220 HB3 MET 29 HB1 MET 29 -1.743 4.548 0.698 221 HG2 MET 29 HG2 MET 29 -3.872 3.139 1.172 222 HG3 MET 29 HG1 MET 29 -4.393 3.742 -0.401 223 HE1 MET 29 HE1 MET 29 -0.717 2.752 0.852 224 HE2 MET 29 HE2 MET 29 -0.728 1.058 0.368 225 HE3 MET 29 HE3 MET 29 -1.853 1.631 1.599 226 H LEU 30 HN LEU 30 -1.506 5.342 3.309 227 HA LEU 30 HA LEU 30 -2.421 3.068 4.653 228 HB2 LEU 30 HB2 LEU 30 -0.101 3.983 4.718 229 HB3 LEU 30 HB1 LEU 30 -0.672 5.251 5.781 230 HG LEU 30 HG LEU 30 -1.236 3.604 7.493 231 HD11 LEU 30 HD11 LEU 30 -0.213 1.609 5.480 232 HD12 LEU 30 HD12 LEU 30 -1.838 1.709 6.160 233 HD13 LEU 30 HD13 LEU 30 -0.477 1.253 7.185 234 HD21 LEU 30 HD21 LEU 30 1.020 2.961 8.096 235 HD22 LEU 30 HD22 LEU 30 1.018 4.588 7.420 236 HD23 LEU 30 HD23 LEU 30 1.567 3.229 6.442 237 H SER 31 HN SER 31 -2.748 6.501 5.523 238 HA SER 31 HA SER 31 -4.149 6.112 7.919 239 HB2 SER 31 HB2 SER 31 -4.397 8.449 6.010 240 HB3 SER 31 HB1 SER 31 -4.795 8.449 7.730 241 HG SER 31 HG SER 31 -2.446 8.935 6.579 242 H LEU 32 HN LEU 32 -5.214 6.194 4.586 243 HA LEU 32 HA LEU 32 -7.992 6.432 5.026 244 HB2 LEU 32 HB2 LEU 32 -6.678 6.673 2.842 245 HB3 LEU 32 HB1 LEU 32 -6.696 4.927 2.752 246 HG LEU 32 HG LEU 32 -8.458 6.311 1.429 247 HD11 LEU 32 HD11 LEU 32 -8.390 3.847 1.647 248 HD12 LEU 32 HD12 LEU 32 -10.026 4.500 1.543 249 HD13 LEU 32 HD13 LEU 32 -9.380 3.984 3.100 250 HD21 LEU 32 HD21 LEU 32 -10.489 6.801 2.592 251 HD22 LEU 32 HD22 LEU 32 -9.164 7.640 3.397 252 HD23 LEU 32 HD23 LEU 32 -9.834 6.168 4.101 253 H LEU 33 HN LEU 33 -5.877 3.613 4.632 254 HA LEU 33 HA LEU 33 -7.863 1.627 4.852 255 HB2 LEU 33 HB2 LEU 33 -4.961 1.438 5.679 256 HB3 LEU 33 HB1 LEU 33 -6.031 0.095 5.328 257 HG LEU 33 HG LEU 33 -5.156 2.158 3.306 258 HD11 LEU 33 HD11 LEU 33 -4.206 -0.670 3.761 259 HD12 LEU 33 HD12 LEU 33 -3.270 0.803 4.024 260 HD13 LEU 33 HD13 LEU 33 -3.765 0.352 2.393 261 HD21 LEU 33 HD21 LEU 33 -6.760 -0.382 3.100 262 HD22 LEU 33 HD22 LEU 33 -6.038 0.432 1.712 263 HD23 LEU 33 HD23 LEU 33 -7.265 1.255 2.675 264 H GLN 34 HN GLN 34 -6.050 3.420 7.235 265 HA GLN 34 HA GLN 34 -6.761 1.797 9.467 266 HB2 GLN 34 HB2 GLN 34 -5.707 4.625 9.314 267 HB3 GLN 34 HB1 GLN 34 -5.878 3.705 10.805 268 HG2 GLN 34 HG2 GLN 34 -4.263 2.106 10.085 269 HG3 GLN 34 HG1 GLN 34 -4.210 2.811 8.470 270 HE21 GLN 34 HE21 GLN 34 -2.061 2.354 10.326 271 HE22 GLN 34 HE22 GLN 34 -1.334 3.892 10.640 272 H LYS 35 HN LYS 35 -7.939 4.966 8.310 273 HA LYS 35 HA LYS 35 -9.865 5.221 10.381 274 HB2 LYS 35 HB2 LYS 35 -10.562 7.188 9.344 275 HB3 LYS 35 HB1 LYS 35 -8.862 7.071 8.919 276 HG2 LYS 35 HG2 LYS 35 -9.320 7.033 6.747 277 HG3 LYS 35 HG1 LYS 35 -10.557 5.788 6.948 278 HD2 LYS 35 HD2 LYS 35 -12.129 7.540 7.710 279 HD3 LYS 35 HD1 LYS 35 -10.895 8.754 7.374 280 HE2 LYS 35 HE2 LYS 35 -10.864 7.994 5.015 281 HE3 LYS 35 HE1 LYS 35 -12.192 6.897 5.385 282 HZ1 LYS 35 HZ1 LYS 35 -13.541 8.811 5.998 283 HZ2 LYS 35 HZ2 LYS 35 -13.004 8.937 4.403 284 HZ3 LYS 35 HZ3 LYS 35 -12.268 9.857 5.615 285 H GLU 36 HN GLU 36 -9.946 3.612 7.289 286 HA GLU 36 HA GLU 36 -12.830 3.413 7.283 287 HB2 GLU 36 HB2 GLU 36 -10.648 2.401 5.503 288 HB3 GLU 36 HB1 GLU 36 -12.249 1.680 5.396 289 HG2 GLU 36 HG2 GLU 36 -11.610 4.602 5.043 290 HG3 GLU 36 HG1 GLU 36 -11.936 3.449 3.749 291 H GLY 37 HN GLY 37 -10.400 1.894 8.950 292 HA2 GLY 37 HA2 GLY 37 -10.517 0.155 10.460 293 HA3 GLY 37 HA1 GLY 37 -12.188 -0.097 9.976 294 H LEU 38 HN LEU 38 -9.728 -0.045 7.548 295 HA LEU 38 HA LEU 38 -10.328 -2.780 6.868 296 HB2 LEU 38 HB2 LEU 38 -8.389 -0.818 5.645 297 HB3 LEU 38 HB1 LEU 38 -8.773 -2.395 4.980 298 HG LEU 38 HG LEU 38 -10.680 -0.069 5.276 299 HD11 LEU 38 HD11 LEU 38 -9.388 -1.346 2.871 300 HD12 LEU 38 HD12 LEU 38 -9.151 0.297 3.469 301 HD13 LEU 38 HD13 LEU 38 -10.708 -0.181 2.794 302 HD21 LEU 38 HD21 LEU 38 -12.252 -1.508 4.011 303 HD22 LEU 38 HD22 LEU 38 -11.887 -2.124 5.623 304 HD23 LEU 38 HD23 LEU 38 -11.129 -2.853 4.206 305 H LEU 39 HN LEU 39 -7.716 -0.980 8.324 306 HA LEU 39 HA LEU 39 -6.403 -3.523 8.994 307 HB2 LEU 39 HB2 LEU 39 -5.117 -0.983 8.006 308 HB3 LEU 39 HB1 LEU 39 -4.219 -2.210 8.878 309 HG LEU 39 HG LEU 39 -5.551 -2.496 6.183 310 HD11 LEU 39 HD11 LEU 39 -2.679 -2.563 7.091 311 HD12 LEU 39 HD12 LEU 39 -3.443 -1.368 6.044 312 HD13 LEU 39 HD13 LEU 39 -3.221 -3.022 5.477 313 HD21 LEU 39 HD21 LEU 39 -4.339 -4.792 6.330 314 HD22 LEU 39 HD22 LEU 39 -5.926 -4.591 7.072 315 HD23 LEU 39 HD23 LEU 39 -4.475 -4.544 8.071 316 H MET 40 HN MET 40 -4.942 -3.298 10.908 317 HA MET 40 HA MET 40 -6.177 -1.440 12.831 318 HB2 MET 40 HB2 MET 40 -6.452 -3.826 13.362 319 HB3 MET 40 HB1 MET 40 -4.708 -4.041 13.321 320 HG2 MET 40 HG2 MET 40 -4.633 -2.281 15.178 321 HG3 MET 40 HG1 MET 40 -6.364 -2.562 15.335 322 HE1 MET 40 HE1 MET 40 -2.777 -3.886 16.002 323 HE2 MET 40 HE2 MET 40 -3.250 -4.909 14.646 324 HE3 MET 40 HE3 MET 40 -3.031 -5.614 16.248 325 H SER 41 HN SER 41 -3.128 -2.713 11.638 326 HA SER 41 HA SER 41 -1.748 -0.384 12.772 327 HB2 SER 41 HB2 SER 41 0.171 -2.134 13.242 328 HB3 SER 41 HB1 SER 41 -1.128 -1.923 14.415 329 HG SER 41 HG SER 41 -1.987 -3.701 12.680 330 HA PRO 42 HA PRO 42 0.266 -0.198 8.827 331 HB2 PRO 42 HB2 PRO 42 2.857 0.426 9.544 332 HB3 PRO 42 HB1 PRO 42 1.529 1.598 9.478 333 HG2 PRO 42 HG2 PRO 42 2.683 0.197 11.828 334 HG3 PRO 42 HG1 PRO 42 2.129 1.875 11.671 335 HD2 PRO 42 HD2 PRO 42 0.642 -0.003 12.894 336 HD3 PRO 42 HD1 PRO 42 -0.088 1.310 11.948 337 H SER 43 HN SER 43 1.475 -2.259 11.307 338 HA SER 43 HA SER 43 3.365 -3.699 9.729 339 HB2 SER 43 HB2 SER 43 2.533 -5.251 11.946 340 HB3 SER 43 HB1 SER 43 3.985 -4.256 11.811 341 HG SER 43 HG SER 43 2.576 -3.700 13.602 342 H ASP 44 HN ASP 44 0.017 -3.637 9.752 343 HA ASP 44 HA ASP 44 -0.539 -6.414 9.372 344 HB2 ASP 44 HB2 ASP 44 -2.114 -3.894 8.910 345 HB3 ASP 44 HB1 ASP 44 -2.726 -5.456 8.380 346 H LEU 45 HN LEU 45 0.946 -4.128 7.437 347 HA LEU 45 HA LEU 45 -0.031 -4.737 4.874 348 HB2 LEU 45 HB2 LEU 45 2.364 -3.438 6.003 349 HB3 LEU 45 HB1 LEU 45 2.574 -4.112 4.400 350 HG LEU 45 HG LEU 45 2.001 -1.744 4.290 351 HD11 LEU 45 HD11 LEU 45 1.236 -3.309 2.524 352 HD12 LEU 45 HD12 LEU 45 0.231 -1.870 2.685 353 HD13 LEU 45 HD13 LEU 45 -0.322 -3.411 3.341 354 HD21 LEU 45 HD21 LEU 45 -0.108 -0.885 5.052 355 HD22 LEU 45 HD22 LEU 45 0.706 -1.670 6.406 356 HD23 LEU 45 HD23 LEU 45 -0.620 -2.488 5.581 357 H TYR 46 HN TYR 46 2.083 -6.454 6.997 358 HA TYR 46 HA TYR 46 3.187 -8.148 4.926 359 HB2 TYR 46 HB2 TYR 46 3.384 -8.415 7.936 360 HB3 TYR 46 HB1 TYR 46 4.366 -9.265 6.747 361 HD1 TYR 46 HD1 TYR 46 5.486 -7.476 4.982 362 HD2 TYR 46 HD2 TYR 46 4.461 -6.714 9.041 363 HE1 TYR 46 HE1 TYR 46 7.137 -5.654 5.054 364 HE2 TYR 46 HE2 TYR 46 6.107 -4.888 9.119 365 HH TYR 46 HH TYR 46 8.217 -4.249 7.893 366 H SER 47 HN SER 47 0.201 -8.020 6.040 367 HA SER 47 HA SER 47 -0.142 -10.904 6.423 368 HB2 SER 47 HB2 SER 47 -2.214 -8.732 6.769 369 HB3 SER 47 HB1 SER 47 -2.322 -10.403 7.322 370 HG SER 47 HG SER 47 -0.090 -9.152 8.254 371 HA PRO 48 HA PRO 48 -1.238 -10.740 2.025 372 HB2 PRO 48 HB2 PRO 48 -1.299 -13.459 1.706 373 HB3 PRO 48 HB1 PRO 48 0.191 -12.495 1.645 374 HG2 PRO 48 HG2 PRO 48 -0.914 -14.120 3.873 375 HG3 PRO 48 HG1 PRO 48 0.766 -13.939 3.332 376 HD2 PRO 48 HD2 PRO 48 -0.212 -12.646 5.495 377 HD3 PRO 48 HD1 PRO 48 1.060 -11.962 4.463 378 H GLY 49 HN GLY 49 -2.829 -12.535 4.596 379 HA2 GLY 49 HA2 GLY 49 -5.130 -13.286 3.103 380 HA3 GLY 49 HA1 GLY 49 -5.005 -13.235 4.855 381 H SER 50 HN SER 50 -4.164 -10.345 4.628 382 HA SER 50 HA SER 50 -6.854 -9.280 4.702 383 HB2 SER 50 HB2 SER 50 -4.299 -7.752 5.188 384 HB3 SER 50 HB1 SER 50 -5.914 -7.396 5.798 385 HG SER 50 HG SER 50 -4.563 -8.361 7.386 386 H TRP 51 HN TRP 51 -4.396 -9.569 2.406 387 HA TRP 51 HA TRP 51 -4.650 -7.117 1.019 388 HB2 TRP 51 HB2 TRP 51 -3.835 -9.856 0.028 389 HB3 TRP 51 HB1 TRP 51 -3.709 -8.384 -0.926 390 HD1 TRP 51 HD1 TRP 51 -2.705 -6.962 2.100 391 HE1 TRP 51 HE1 TRP 51 -0.171 -7.136 2.545 392 HE3 TRP 51 HE3 TRP 51 -1.554 -10.651 -1.247 393 HZ2 TRP 51 HZ2 TRP 51 2.019 -8.640 1.583 394 HZ3 TRP 51 HZ3 TRP 51 0.787 -11.393 -1.426 395 HH2 TRP 51 HH2 TRP 51 2.530 -10.408 -0.039 396 H ASP 52 HN ASP 52 -6.383 -10.165 0.832 397 HA ASP 52 HA ASP 52 -7.800 -9.767 -1.529 398 HB2 ASP 52 HB2 ASP 52 -7.602 -11.848 0.045 399 HB3 ASP 52 HB1 ASP 52 -9.068 -11.205 0.772 400 HA PRO 53 HA PRO 53 -11.530 -7.885 0.929 401 HB2 PRO 53 HB2 PRO 53 -10.968 -6.850 3.416 402 HB3 PRO 53 HB1 PRO 53 -11.640 -8.469 3.141 403 HG2 PRO 53 HG2 PRO 53 -8.832 -7.664 3.692 404 HG3 PRO 53 HG1 PRO 53 -9.754 -9.054 4.300 405 HD2 PRO 53 HD2 PRO 53 -7.959 -9.311 2.317 406 HD3 PRO 53 HD1 PRO 53 -9.445 -10.279 2.382 407 H ILE 54 HN ILE 54 -8.346 -6.480 1.685 408 HA ILE 54 HA ILE 54 -9.156 -3.783 1.638 409 HB ILE 54 HB ILE 54 -6.453 -5.003 1.056 410 HG12 ILE 54 HG12 ILE 54 -7.484 -3.548 3.501 411 HG13 ILE 54 HG11 ILE 54 -7.376 -5.298 3.356 412 HG21 ILE 54 HG21 ILE 54 -5.520 -2.767 1.346 413 HG22 ILE 54 HG22 ILE 54 -7.145 -2.103 1.514 414 HG23 ILE 54 HG23 ILE 54 -6.638 -2.814 -0.017 415 HD11 ILE 54 HD11 ILE 54 -5.517 -4.350 4.620 416 HD12 ILE 54 HD12 ILE 54 -5.051 -3.399 3.211 417 HD13 ILE 54 HD13 ILE 54 -4.972 -5.159 3.150 418 H THR 55 HN THR 55 -7.707 -5.810 -0.912 419 HA THR 55 HA THR 55 -7.676 -3.889 -2.933 420 HB THR 55 HB THR 55 -8.115 -6.861 -3.288 421 HG1 THR 55 HG1 THR 55 -6.227 -6.846 -2.263 422 HG21 THR 55 HG21 THR 55 -8.473 -5.484 -5.317 423 HG22 THR 55 HG22 THR 55 -7.077 -6.554 -5.457 424 HG23 THR 55 HG23 THR 55 -6.842 -4.836 -5.133 425 H ALA 56 HN ALA 56 -10.207 -6.189 -2.006 426 HA ALA 56 HA ALA 56 -12.008 -5.580 -4.078 427 HB1 ALA 56 HB1 ALA 56 -12.644 -6.571 -1.304 428 HB2 ALA 56 HB2 ALA 56 -12.176 -7.584 -2.670 429 HB3 ALA 56 HB3 ALA 56 -13.688 -6.676 -2.721 430 H ALA 57 HN ALA 57 -11.735 -4.295 -0.775 431 HA ALA 57 HA ALA 57 -13.965 -2.582 -0.891 432 HB1 ALA 57 HB1 ALA 57 -12.894 -3.255 1.210 433 HB2 ALA 57 HB2 ALA 57 -13.023 -1.500 1.076 434 HB3 ALA 57 HB3 ALA 57 -11.475 -2.296 0.788 435 H LEU 58 HN LEU 58 -10.518 -1.975 -1.529 436 HA LEU 58 HA LEU 58 -10.825 0.780 -2.050 437 HB2 LEU 58 HB2 LEU 58 -8.692 -1.180 -2.859 438 HB3 LEU 58 HB1 LEU 58 -8.605 0.533 -3.234 439 HG LEU 58 HG LEU 58 -8.575 -0.749 -0.503 440 HD11 LEU 58 HD11 LEU 58 -6.418 0.425 -0.334 441 HD12 LEU 58 HD12 LEU 58 -6.597 0.950 -2.008 442 HD13 LEU 58 HD13 LEU 58 -6.447 -0.768 -1.632 443 HD21 LEU 58 HD21 LEU 58 -9.940 1.181 -0.251 444 HD22 LEU 58 HD22 LEU 58 -8.872 2.150 -1.267 445 HD23 LEU 58 HD23 LEU 58 -8.331 1.613 0.326 446 H SER 59 HN SER 59 -11.038 -2.056 -4.130 447 HA SER 59 HA SER 59 -11.169 -0.555 -6.552 448 HB2 SER 59 HB2 SER 59 -12.149 -3.368 -5.995 449 HB3 SER 59 HB1 SER 59 -11.890 -2.659 -7.590 450 HG SER 59 HG SER 59 -9.958 -3.286 -5.607 451 H GLN 60 HN GLN 60 -13.490 -1.692 -4.193 452 HA GLN 60 HA GLN 60 -15.847 -1.261 -5.672 453 HB2 GLN 60 HB2 GLN 60 -15.654 -2.536 -3.515 454 HB3 GLN 60 HB1 GLN 60 -15.530 -0.994 -2.680 455 HG2 GLN 60 HG2 GLN 60 -17.749 -0.383 -3.624 456 HG3 GLN 60 HG1 GLN 60 -17.872 -2.018 -4.268 457 HE21 GLN 60 HE21 GLN 60 -17.925 -0.039 -1.426 458 HE22 GLN 60 HE22 GLN 60 -18.509 -1.249 -0.341 459 H ARG 61 HN ARG 61 -14.172 0.834 -3.311 460 HA ARG 61 HA ARG 61 -15.943 3.017 -3.629 461 HB2 ARG 61 HB2 ARG 61 -14.339 4.333 -2.414 462 HB3 ARG 61 HB1 ARG 61 -14.396 2.733 -1.697 463 HG2 ARG 61 HG2 ARG 61 -12.335 2.143 -2.903 464 HG3 ARG 61 HG1 ARG 61 -12.266 3.784 -3.547 465 HD2 ARG 61 HD2 ARG 61 -12.581 3.656 -0.641 466 HD3 ARG 61 HD1 ARG 61 -11.084 2.936 -1.228 467 HE ARG 61 HE ARG 61 -10.575 5.087 -2.276 468 HH11 ARG 61 HH11 ARG 61 -12.871 6.733 0.581 469 HH12 ARG 61 HH12 ARG 61 -13.063 5.054 0.202 470 HH21 ARG 61 HH21 ARG 61 -10.312 7.278 -1.754 471 HH22 ARG 61 HH22 ARG 61 -11.317 8.001 -0.526 472 H ALA 62 HN ALA 62 -13.136 1.968 -5.407 473 HA ALA 62 HA ALA 62 -12.687 4.389 -6.824 474 HB1 ALA 62 HB1 ALA 62 -11.909 1.595 -7.635 475 HB2 ALA 62 HB2 ALA 62 -10.980 2.623 -6.546 476 HB3 ALA 62 HB3 ALA 62 -11.213 3.104 -8.226 477 H MET 63 HN MET 63 -14.734 1.583 -7.405 478 HA MET 63 HA MET 63 -15.388 2.510 -10.077 479 HB2 MET 63 HB2 MET 63 -16.591 0.496 -10.371 480 HB3 MET 63 HB1 MET 63 -15.162 0.063 -9.445 481 HG2 MET 63 HG2 MET 63 -16.444 -0.043 -7.415 482 HG3 MET 63 HG1 MET 63 -17.879 0.552 -8.244 483 HE1 MET 63 HE1 MET 63 -15.181 -2.124 -9.364 484 HE2 MET 63 HE2 MET 63 -15.986 -3.610 -8.854 485 HE3 MET 63 HE3 MET 63 -15.459 -2.436 -7.649 486 H ILE 64 HN ILE 64 -16.643 2.828 -6.885 487 HA ILE 64 HA ILE 64 -19.296 3.571 -7.810 488 HB ILE 64 HB ILE 64 -18.108 3.461 -5.037 489 HG12 ILE 64 HG12 ILE 64 -20.245 1.779 -6.368 490 HG13 ILE 64 HG11 ILE 64 -18.568 1.291 -6.130 491 HG21 ILE 64 HG21 ILE 64 -20.348 3.913 -4.180 492 HG22 ILE 64 HG22 ILE 64 -20.945 4.129 -5.824 493 HG23 ILE 64 HG23 ILE 64 -19.767 5.260 -5.160 494 HD11 ILE 64 HD11 ILE 64 -20.616 1.834 -3.993 495 HD12 ILE 64 HD12 ILE 64 -18.911 1.496 -3.688 496 HD13 ILE 64 HD13 ILE 64 -19.930 0.274 -4.450 497 H LEU 65 HN LEU 65 -16.641 5.141 -6.008 498 HA LEU 65 HA LEU 65 -17.901 7.724 -6.334 499 HB2 LEU 65 HB2 LEU 65 -15.398 6.775 -4.977 500 HB3 LEU 65 HB1 LEU 65 -15.696 8.486 -5.218 501 HG LEU 65 HG LEU 65 -17.957 8.009 -4.017 502 HD11 LEU 65 HD11 LEU 65 -17.760 6.222 -2.323 503 HD12 LEU 65 HD12 LEU 65 -16.298 5.658 -3.130 504 HD13 LEU 65 HD13 LEU 65 -17.846 5.607 -3.972 505 HD21 LEU 65 HD21 LEU 65 -16.168 9.418 -3.129 506 HD22 LEU 65 HD22 LEU 65 -15.341 7.987 -2.517 507 HD23 LEU 65 HD23 LEU 65 -16.909 8.448 -1.857 508 H GLY 66 HN GLY 66 -15.539 5.823 -7.947 509 HA2 GLY 66 HA2 GLY 66 -14.888 6.309 -10.183 510 HA3 GLY 66 HA1 GLY 66 -15.151 8.015 -9.854 511 H LYS 67 HN LYS 67 -13.702 8.192 -7.444 512 HA LYS 67 HA LYS 67 -11.097 8.588 -8.460 513 HB2 LYS 67 HB2 LYS 67 -10.498 9.145 -6.107 514 HB3 LYS 67 HB1 LYS 67 -11.894 10.023 -6.708 515 HG2 LYS 67 HG2 LYS 67 -13.392 8.681 -5.437 516 HG3 LYS 67 HG1 LYS 67 -12.107 7.550 -5.010 517 HD2 LYS 67 HD2 LYS 67 -12.542 8.989 -3.124 518 HD3 LYS 67 HD1 LYS 67 -10.957 9.384 -3.796 519 HE2 LYS 67 HE2 LYS 67 -12.105 11.220 -5.096 520 HE3 LYS 67 HE1 LYS 67 -13.536 10.907 -4.118 521 HZ1 LYS 67 HZ1 LYS 67 -12.324 12.690 -3.143 522 HZ2 LYS 67 HZ2 LYS 67 -10.881 11.812 -3.159 523 HZ3 LYS 67 HZ3 LYS 67 -12.142 11.343 -2.137 524 H SER 68 HN SER 68 -9.447 7.273 -8.626 525 HA SER 68 HA SER 68 -9.479 4.740 -7.117 526 HB2 SER 68 HB2 SER 68 -7.973 5.100 -9.699 527 HB3 SER 68 HB1 SER 68 -8.589 3.618 -8.972 528 HG SER 68 HG SER 68 -10.552 5.441 -9.566 529 H GLY 69 HN GLY 69 -8.332 7.427 -6.459 530 HA2 GLY 69 HA2 GLY 69 -5.575 7.562 -6.782 531 HA3 GLY 69 HA1 GLY 69 -6.462 8.262 -5.438 532 H GLU 70 HN GLU 70 -7.359 6.186 -4.024 533 HA GLU 70 HA GLU 70 -5.057 5.267 -2.669 534 HB2 GLU 70 HB2 GLU 70 -7.940 4.382 -2.485 535 HB3 GLU 70 HB1 GLU 70 -6.679 3.863 -1.379 536 HG2 GLU 70 HG2 GLU 70 -7.843 5.594 -0.297 537 HG3 GLU 70 HG1 GLU 70 -6.314 6.291 -0.828 538 H LEU 71 HN LEU 71 -7.055 3.882 -5.169 539 HA LEU 71 HA LEU 71 -6.202 1.199 -4.880 540 HB2 LEU 71 HB2 LEU 71 -7.998 2.606 -6.513 541 HB3 LEU 71 HB1 LEU 71 -6.844 1.878 -7.609 542 HG LEU 71 HG LEU 71 -8.676 0.481 -5.664 543 HD11 LEU 71 HD11 LEU 71 -9.373 -0.700 -7.731 544 HD12 LEU 71 HD12 LEU 71 -8.332 0.388 -8.651 545 HD13 LEU 71 HD13 LEU 71 -9.701 1.034 -7.751 546 HD21 LEU 71 HD21 LEU 71 -6.593 -0.671 -5.438 547 HD22 LEU 71 HD22 LEU 71 -6.327 -0.646 -7.181 548 HD23 LEU 71 HD23 LEU 71 -7.623 -1.629 -6.503 549 H LYS 72 HN LYS 72 -4.986 3.942 -6.729 550 HA LYS 72 HA LYS 72 -3.116 2.584 -8.316 551 HB2 LYS 72 HB2 LYS 72 -3.260 5.406 -7.290 552 HB3 LYS 72 HB1 LYS 72 -1.882 4.859 -8.236 553 HG2 LYS 72 HG2 LYS 72 -3.723 4.065 -9.905 554 HG3 LYS 72 HG1 LYS 72 -4.713 5.261 -9.064 555 HD2 LYS 72 HD2 LYS 72 -2.020 5.801 -10.318 556 HD3 LYS 72 HD1 LYS 72 -3.574 6.175 -11.064 557 HE2 LYS 72 HE2 LYS 72 -4.072 7.818 -9.466 558 HE3 LYS 72 HE1 LYS 72 -2.829 7.243 -8.359 559 HZ1 LYS 72 HZ1 LYS 72 -2.182 8.376 -11.013 560 HZ2 LYS 72 HZ2 LYS 72 -1.141 8.122 -9.705 561 HZ3 LYS 72 HZ3 LYS 72 -2.318 9.333 -9.627 562 H THR 73 HN THR 73 -2.680 4.225 -5.199 563 HA THR 73 HA THR 73 0.019 3.591 -4.845 564 HB THR 73 HB THR 73 -1.914 3.835 -2.549 565 HG1 THR 73 HG1 THR 73 -0.960 5.907 -4.284 566 HG21 THR 73 HG21 THR 73 0.878 4.913 -2.996 567 HG22 THR 73 HG22 THR 73 0.492 3.449 -2.091 568 HG23 THR 73 HG23 THR 73 -0.057 5.020 -1.507 569 H TRP 74 HN TRP 74 -2.915 1.940 -3.694 570 HA TRP 74 HA TRP 74 -1.657 -0.130 -2.307 571 HB2 TRP 74 HB2 TRP 74 -4.009 0.308 -2.000 572 HB3 TRP 74 HB1 TRP 74 -4.344 -0.059 -3.688 573 HD1 TRP 74 HD1 TRP 74 -5.300 -2.389 -4.060 574 HE1 TRP 74 HE1 TRP 74 -5.235 -4.648 -2.820 575 HE3 TRP 74 HE3 TRP 74 -2.187 -1.101 -0.211 576 HZ2 TRP 74 HZ2 TRP 74 -4.015 -5.727 -0.516 577 HZ3 TRP 74 HZ3 TRP 74 -1.624 -2.807 1.467 578 HH2 TRP 74 HH2 TRP 74 -2.519 -5.069 1.317 579 H GLY 75 HN GLY 75 -2.891 -0.083 -5.640 580 HA2 GLY 75 HA2 GLY 75 -2.281 -2.694 -6.354 581 HA3 GLY 75 HA1 GLY 75 -2.349 -1.340 -7.467 582 H LEU 76 HN LEU 76 -0.198 0.163 -6.446 583 HA LEU 76 HA LEU 76 1.957 -1.171 -7.740 584 HB2 LEU 76 HB2 LEU 76 1.822 1.385 -6.151 585 HB3 LEU 76 HB1 LEU 76 3.288 0.816 -6.925 586 HG LEU 76 HG LEU 76 0.721 1.415 -8.401 587 HD11 LEU 76 HD11 LEU 76 1.526 3.476 -7.512 588 HD12 LEU 76 HD12 LEU 76 1.958 3.415 -9.220 589 HD13 LEU 76 HD13 LEU 76 3.181 3.100 -7.989 590 HD21 LEU 76 HD21 LEU 76 3.514 0.750 -9.318 591 HD22 LEU 76 HD22 LEU 76 2.268 1.423 -10.370 592 HD23 LEU 76 HD23 LEU 76 2.032 -0.157 -9.622 593 H VAL 77 HN VAL 77 1.275 -0.379 -4.345 594 HA VAL 77 HA VAL 77 3.683 -1.456 -3.305 595 HB VAL 77 HB VAL 77 1.003 -0.984 -1.973 596 HG11 VAL 77 HG11 VAL 77 2.192 -2.680 -0.723 597 HG12 VAL 77 HG12 VAL 77 2.244 -1.155 0.161 598 HG13 VAL 77 HG13 VAL 77 3.659 -1.706 -0.738 599 HG21 VAL 77 HG21 VAL 77 3.580 0.592 -1.929 600 HG22 VAL 77 HG22 VAL 77 2.128 0.978 -1.005 601 HG23 VAL 77 HG23 VAL 77 2.098 1.046 -2.767 602 H LEU 78 HN LEU 78 0.435 -2.771 -3.718 603 HA LEU 78 HA LEU 78 0.802 -5.256 -2.507 604 HB2 LEU 78 HB2 LEU 78 -1.383 -4.381 -3.156 605 HB3 LEU 78 HB1 LEU 78 -0.955 -4.516 -4.850 606 HG LEU 78 HG LEU 78 -0.852 -6.964 -4.624 607 HD11 LEU 78 HD11 LEU 78 -1.765 -6.435 -1.801 608 HD12 LEU 78 HD12 LEU 78 -0.229 -7.149 -2.298 609 HD13 LEU 78 HD13 LEU 78 -1.738 -8.014 -2.584 610 HD21 LEU 78 HD21 LEU 78 -2.933 -5.838 -5.300 611 HD22 LEU 78 HD22 LEU 78 -3.438 -5.791 -3.613 612 HD23 LEU 78 HD23 LEU 78 -3.238 -7.341 -4.431 613 H GLY 79 HN GLY 79 1.446 -4.239 -5.826 614 HA2 GLY 79 HA2 GLY 79 2.071 -6.749 -6.910 615 HA3 GLY 79 HA1 GLY 79 2.669 -5.207 -7.505 616 H ALA 80 HN ALA 80 4.086 -4.382 -5.233 617 HA ALA 80 HA ALA 80 6.532 -5.781 -5.603 618 HB1 ALA 80 HB1 ALA 80 5.813 -3.734 -3.508 619 HB2 ALA 80 HB2 ALA 80 6.454 -3.386 -5.114 620 HB3 ALA 80 HB3 ALA 80 7.441 -4.255 -3.941 621 H LEU 81 HN LEU 81 4.167 -5.634 -2.975 622 HA LEU 81 HA LEU 81 5.538 -7.237 -1.123 623 HB2 LEU 81 HB2 LEU 81 2.571 -6.893 -1.548 624 HB3 LEU 81 HB1 LEU 81 3.285 -7.684 -0.157 625 HG LEU 81 HG LEU 81 3.698 -4.785 -0.897 626 HD11 LEU 81 HD11 LEU 81 2.002 -6.018 1.269 627 HD12 LEU 81 HD12 LEU 81 1.399 -5.269 -0.209 628 HD13 LEU 81 HD13 LEU 81 2.248 -4.295 0.989 629 HD21 LEU 81 HD21 LEU 81 4.531 -6.380 1.523 630 HD22 LEU 81 HD22 LEU 81 4.653 -4.629 1.373 631 HD23 LEU 81 HD23 LEU 81 5.595 -5.671 0.308 632 H LYS 82 HN LYS 82 3.242 -8.070 -3.680 633 HA LYS 82 HA LYS 82 2.985 -10.794 -3.161 634 HB2 LYS 82 HB2 LYS 82 2.824 -9.182 -5.690 635 HB3 LYS 82 HB1 LYS 82 2.639 -10.930 -5.721 636 HG2 LYS 82 HG2 LYS 82 0.851 -10.452 -3.858 637 HG3 LYS 82 HG1 LYS 82 0.837 -8.850 -4.602 638 HD2 LYS 82 HD2 LYS 82 0.606 -10.123 -6.826 639 HD3 LYS 82 HD1 LYS 82 0.150 -11.497 -5.824 640 HE2 LYS 82 HE2 LYS 82 -1.707 -10.276 -4.908 641 HE3 LYS 82 HE1 LYS 82 -1.199 -8.809 -5.744 642 HZ1 LYS 82 HZ1 LYS 82 -2.258 -11.301 -6.945 643 HZ2 LYS 82 HZ2 LYS 82 -1.509 -10.083 -7.856 644 HZ3 LYS 82 HZ3 LYS 82 -2.928 -9.748 -7.008 645 H ALA 83 HN ALA 83 5.262 -9.144 -5.340 646 HA ALA 83 HA ALA 83 6.636 -11.431 -6.195 647 HB1 ALA 83 HB1 ALA 83 6.762 -9.240 -7.306 648 HB2 ALA 83 HB2 ALA 83 8.357 -9.911 -6.971 649 HB3 ALA 83 HB3 ALA 83 7.710 -8.622 -5.955 650 H ALA 84 HN ALA 84 7.096 -9.366 -3.391 651 HA ALA 84 HA ALA 84 9.590 -10.460 -2.588 652 HB1 ALA 84 HB1 ALA 84 9.134 -9.354 -0.437 653 HB2 ALA 84 HB2 ALA 84 7.496 -9.000 -0.984 654 HB3 ALA 84 HB3 ALA 84 8.876 -8.280 -1.813 655 H ARG 85 HN ARG 85 6.235 -11.258 -1.886 656 HA ARG 85 HA ARG 85 6.928 -13.211 0.108 657 HB2 ARG 85 HB2 ARG 85 4.385 -12.307 -1.170 658 HB3 ARG 85 HB1 ARG 85 4.411 -13.827 -0.287 659 HG2 ARG 85 HG2 ARG 85 5.627 -12.182 1.493 660 HG3 ARG 85 HG1 ARG 85 4.515 -11.065 0.699 661 HD2 ARG 85 HD2 ARG 85 2.675 -12.103 1.524 662 HD3 ARG 85 HD1 ARG 85 3.425 -13.699 1.477 663 HE ARG 85 HE ARG 85 4.276 -11.756 3.503 664 HH11 ARG 85 HH11 ARG 85 2.753 -15.393 4.301 665 HH12 ARG 85 HH12 ARG 85 2.751 -14.801 2.668 666 HH21 ARG 85 HH21 ARG 85 4.289 -12.541 5.645 667 HH22 ARG 85 HH22 ARG 85 3.627 -14.107 5.989 668 H GLU 86 HN GLU 86 6.919 -13.210 -3.261 669 HA GLU 86 HA GLU 86 6.166 -15.933 -3.690 670 HB2 GLU 86 HB2 GLU 86 7.659 -13.932 -5.385 671 HB3 GLU 86 HB1 GLU 86 7.334 -15.575 -5.921 672 HG2 GLU 86 HG2 GLU 86 4.905 -15.120 -5.596 673 HG3 GLU 86 HG1 GLU 86 5.321 -13.440 -5.258 674 H GLU 87 HN GLU 87 9.039 -14.283 -2.753 675 HA GLU 87 HA GLU 87 10.861 -16.399 -3.412 676 HB2 GLU 87 HB2 GLU 87 11.163 -13.946 -1.668 677 HB3 GLU 87 HB1 GLU 87 12.473 -15.058 -2.038 678 HG2 GLU 87 HG2 GLU 87 10.922 -13.539 -4.120 679 HG3 GLU 87 HG1 GLU 87 12.437 -12.982 -3.415 680 H1 IHP 101 H37 IHP 0 14.881 10.945 0.660 681 H2 IHP 101 H38 IHP 0 13.264 11.312 2.492 682 H3 IHP 101 H39 IHP 0 12.840 12.309 0.259 683 H4 IHP 101 H40 IHP 0 11.208 9.758 -0.220 684 H5 IHP 101 H41 IHP 0 13.737 10.837 -1.567 685 H6 IHP 101 H42 IHP 0 13.272 8.367 0.181 Start of MODEL 12 1 H1 SER 1 HT1 SER 1 3.262 3.976 8.961 2 H2 SER 1 HT2 SER 1 2.619 5.515 8.686 3 H3 SER 1 HT3 SER 1 1.874 4.470 9.785 4 HA SER 1 HA SER 1 3.053 6.068 11.022 5 HB2 SER 1 HB2 SER 1 4.881 4.473 12.011 6 HB3 SER 1 HB1 SER 1 3.176 4.043 12.150 7 HG SER 1 HG SER 1 4.367 2.275 11.397 8 H GLU 2 HN GLU 2 6.071 4.499 10.596 9 HA GLU 2 HA GLU 2 7.064 6.526 8.743 10 HB2 GLU 2 HB2 GLU 2 9.009 6.443 10.783 11 HB3 GLU 2 HB1 GLU 2 8.019 7.810 10.295 12 HG2 GLU 2 HG2 GLU 2 6.395 7.339 11.946 13 HG3 GLU 2 HG1 GLU 2 7.104 5.762 12.286 14 H ALA 3 HN ALA 3 8.545 4.231 11.036 15 HA ALA 3 HA ALA 3 10.618 3.420 9.382 16 HB1 ALA 3 HB1 ALA 3 10.477 3.013 11.815 17 HB2 ALA 3 HB2 ALA 3 10.945 1.584 10.895 18 HB3 ALA 3 HB3 ALA 3 9.297 1.741 11.504 19 H VAL 4 HN VAL 4 7.380 2.032 9.735 20 HA VAL 4 HA VAL 4 7.782 -0.242 8.136 21 HB VAL 4 HB VAL 4 5.201 1.291 8.511 22 HG11 VAL 4 HG11 VAL 4 5.712 -1.575 7.718 23 HG12 VAL 4 HG12 VAL 4 5.062 -0.302 6.687 24 HG13 VAL 4 HG13 VAL 4 4.128 -0.883 8.066 25 HG21 VAL 4 HG21 VAL 4 4.765 -0.234 10.369 26 HG22 VAL 4 HG22 VAL 4 6.235 0.695 10.650 27 HG23 VAL 4 HG23 VAL 4 6.340 -0.986 10.131 28 H ILE 5 HN ILE 5 6.937 3.077 7.312 29 HA ILE 5 HA ILE 5 6.264 2.578 4.606 30 HB ILE 5 HB ILE 5 7.277 5.138 5.857 31 HG12 ILE 5 HG12 ILE 5 4.457 4.161 5.349 32 HG13 ILE 5 HG11 ILE 5 5.232 4.296 6.924 33 HG21 ILE 5 HG21 ILE 5 7.513 5.210 3.452 34 HG22 ILE 5 HG22 ILE 5 6.148 6.220 3.932 35 HG23 ILE 5 HG23 ILE 5 5.862 4.625 3.240 36 HD11 ILE 5 HD11 ILE 5 5.362 6.716 6.653 37 HD12 ILE 5 HD12 ILE 5 3.701 6.138 6.520 38 HD13 ILE 5 HD13 ILE 5 4.600 6.580 5.068 39 H LYS 6 HN LYS 6 9.267 3.571 6.228 40 HA LYS 6 HA LYS 6 10.865 3.946 3.983 41 HB2 LYS 6 HB2 LYS 6 11.377 3.237 6.823 42 HB3 LYS 6 HB1 LYS 6 12.686 2.958 5.683 43 HG2 LYS 6 HG2 LYS 6 11.273 5.585 6.079 44 HG3 LYS 6 HG1 LYS 6 12.827 5.147 6.792 45 HD2 LYS 6 HD2 LYS 6 13.720 4.815 4.489 46 HD3 LYS 6 HD1 LYS 6 12.190 5.422 3.856 47 HE2 LYS 6 HE2 LYS 6 12.648 7.454 5.387 48 HE3 LYS 6 HE1 LYS 6 14.311 6.876 5.376 49 HZ1 LYS 6 HZ1 LYS 6 12.808 7.357 2.876 50 HZ2 LYS 6 HZ2 LYS 6 14.479 7.215 3.078 51 HZ3 LYS 6 HZ3 LYS 6 13.673 8.588 3.649 52 H VAL 7 HN VAL 7 10.143 0.986 5.761 53 HA VAL 7 HA VAL 7 11.839 -0.758 4.365 54 HB VAL 7 HB VAL 7 9.170 -1.352 5.665 55 HG11 VAL 7 HG11 VAL 7 11.398 -3.234 4.891 56 HG12 VAL 7 HG12 VAL 7 9.818 -3.120 4.115 57 HG13 VAL 7 HG13 VAL 7 9.941 -3.668 5.786 58 HG21 VAL 7 HG21 VAL 7 10.779 -0.371 7.208 59 HG22 VAL 7 HG22 VAL 7 11.983 -1.570 6.738 60 HG23 VAL 7 HG23 VAL 7 10.520 -2.074 7.581 61 H ILE 8 HN ILE 8 8.513 0.265 3.763 62 HA ILE 8 HA ILE 8 8.039 -1.414 1.534 63 HB ILE 8 HB ILE 8 6.764 1.227 2.258 64 HG12 ILE 8 HG12 ILE 8 6.521 -0.515 3.984 65 HG13 ILE 8 HG11 ILE 8 4.981 -0.124 3.233 66 HG21 ILE 8 HG21 ILE 8 4.933 0.595 0.801 67 HG22 ILE 8 HG22 ILE 8 5.766 -0.898 0.371 68 HG23 ILE 8 HG23 ILE 8 6.443 0.658 -0.108 69 HD11 ILE 8 HD11 ILE 8 6.678 -2.549 2.703 70 HD12 ILE 8 HD12 ILE 8 5.202 -2.142 1.827 71 HD13 ILE 8 HD13 ILE 8 5.135 -2.493 3.555 72 H SER 9 HN SER 9 9.095 1.975 1.787 73 HA SER 9 HA SER 9 9.266 2.521 -0.952 74 HB2 SER 9 HB2 SER 9 11.042 3.687 1.200 75 HB3 SER 9 HB1 SER 9 10.583 4.435 -0.330 76 HG SER 9 HG SER 9 9.396 5.034 1.711 77 H SER 10 HN SER 10 11.537 1.003 1.253 78 HA SER 10 HA SER 10 13.693 0.979 -0.654 79 HB2 SER 10 HB2 SER 10 13.467 -0.607 1.911 80 HB3 SER 10 HB1 SER 10 14.941 -0.199 1.035 81 HG SER 10 HG SER 10 13.182 1.600 2.365 82 H ALA 11 HN ALA 11 10.896 -0.784 -0.469 83 HA ALA 11 HA ALA 11 12.164 -3.193 -1.593 84 HB1 ALA 11 HB1 ALA 11 9.370 -2.930 -0.492 85 HB2 ALA 11 HB2 ALA 11 10.757 -3.525 0.421 86 HB3 ALA 11 HB3 ALA 11 10.184 -4.418 -0.988 87 H CYS 12 HN CYS 12 9.442 -0.953 -2.027 88 HA CYS 12 HA CYS 12 8.530 -2.033 -4.461 89 HB2 CYS 12 HB2 CYS 12 7.420 0.200 -4.759 90 HB3 CYS 12 HB1 CYS 12 7.075 -0.592 -3.229 91 HG CYS 12 HG CYS 12 8.333 1.110 -1.637 92 H LYS 13 HN LYS 13 10.982 0.396 -3.750 93 HA LYS 13 HA LYS 13 11.325 1.217 -6.445 94 HB2 LYS 13 HB2 LYS 13 12.883 1.597 -3.924 95 HB3 LYS 13 HB1 LYS 13 13.614 2.029 -5.466 96 HG2 LYS 13 HG2 LYS 13 11.983 3.653 -5.918 97 HG3 LYS 13 HG1 LYS 13 10.902 3.035 -4.671 98 HD2 LYS 13 HD2 LYS 13 12.493 3.769 -2.948 99 HD3 LYS 13 HD1 LYS 13 13.548 4.411 -4.207 100 HE2 LYS 13 HE2 LYS 13 11.854 5.996 -4.884 101 HE3 LYS 13 HE1 LYS 13 10.699 5.295 -3.755 102 HZ1 LYS 13 HZ1 LYS 13 11.793 6.198 -1.950 103 HZ2 LYS 13 HZ2 LYS 13 11.943 7.428 -3.100 104 HZ3 LYS 13 HZ3 LYS 13 13.249 6.406 -2.779 105 H THR 14 HN THR 14 12.077 -1.663 -4.960 106 HA THR 14 HA THR 14 14.368 -2.211 -6.701 107 HB THR 14 HB THR 14 13.208 -4.252 -4.843 108 HG1 THR 14 HG1 THR 14 14.458 -1.838 -4.135 109 HG21 THR 14 HG21 THR 14 15.999 -3.543 -5.752 110 HG22 THR 14 HG22 THR 14 15.042 -4.936 -6.258 111 HG23 THR 14 HG23 THR 14 15.615 -4.818 -4.595 112 H TYR 15 HN TYR 15 11.124 -3.440 -5.949 113 HA TYR 15 HA TYR 15 11.182 -5.370 -8.075 114 HB2 TYR 15 HB2 TYR 15 8.964 -4.432 -6.252 115 HB3 TYR 15 HB1 TYR 15 8.755 -5.687 -7.469 116 HD1 TYR 15 HD1 TYR 15 9.667 -4.999 -4.115 117 HD2 TYR 15 HD2 TYR 15 10.368 -7.717 -7.311 118 HE1 TYR 15 HE1 TYR 15 10.483 -6.667 -2.507 119 HE2 TYR 15 HE2 TYR 15 11.182 -9.397 -5.711 120 HH TYR 15 HH TYR 15 12.196 -9.404 -3.418 121 H CYS 16 HN CYS 16 10.262 -2.051 -7.793 122 HA CYS 16 HA CYS 16 9.025 -2.205 -10.465 123 HB2 CYS 16 HB2 CYS 16 8.666 -0.005 -8.425 124 HB3 CYS 16 HB1 CYS 16 7.782 -0.207 -9.935 125 HG CYS 16 HG CYS 16 6.129 -2.117 -9.154 126 H GLY 17 HN GLY 17 10.710 0.244 -8.486 127 HA2 GLY 17 HA2 GLY 17 12.976 0.906 -9.246 128 HA3 GLY 17 HA1 GLY 17 12.324 0.872 -10.879 129 H LYS 18 HN LYS 18 11.524 2.703 -11.703 130 HA LYS 18 HA LYS 18 11.386 5.018 -9.925 131 HB2 LYS 18 HB2 LYS 18 11.244 6.327 -12.069 132 HB3 LYS 18 HB1 LYS 18 12.730 5.424 -11.844 133 HG2 LYS 18 HG2 LYS 18 10.615 4.027 -13.334 134 HG3 LYS 18 HG1 LYS 18 11.310 5.442 -14.125 135 HD2 LYS 18 HD2 LYS 18 12.911 3.144 -12.999 136 HD3 LYS 18 HD1 LYS 18 12.460 3.308 -14.696 137 HE2 LYS 18 HE2 LYS 18 13.684 5.468 -14.760 138 HE3 LYS 18 HE1 LYS 18 14.191 5.192 -13.096 139 HZ1 LYS 18 HZ1 LYS 18 15.946 4.496 -14.500 140 HZ2 LYS 18 HZ2 LYS 18 14.914 3.586 -15.479 141 HZ3 LYS 18 HZ3 LYS 18 15.230 3.088 -13.896 142 H THR 19 HN THR 19 9.364 2.727 -11.247 143 HA THR 19 HA THR 19 7.056 4.485 -11.495 144 HB THR 19 HB THR 19 5.925 2.181 -11.974 145 HG1 THR 19 HG1 THR 19 7.229 0.521 -12.113 146 HG21 THR 19 HG21 THR 19 6.336 3.927 -13.660 147 HG22 THR 19 HG22 THR 19 6.601 2.313 -14.319 148 HG23 THR 19 HG23 THR 19 7.977 3.322 -13.875 149 H SER 20 HN SER 20 8.602 3.443 -8.975 150 HA SER 20 HA SER 20 6.540 2.142 -7.450 151 HB2 SER 20 HB2 SER 20 8.913 3.387 -6.138 152 HB3 SER 20 HB1 SER 20 8.171 1.812 -5.863 153 HG SER 20 HG SER 20 10.208 2.513 -7.554 154 HA PRO 21 HA PRO 21 4.602 5.823 -5.947 155 HB2 PRO 21 HB2 PRO 21 3.619 4.957 -3.568 156 HB3 PRO 21 HB1 PRO 21 2.945 4.438 -5.124 157 HG2 PRO 21 HG2 PRO 21 4.798 2.989 -3.306 158 HG3 PRO 21 HG1 PRO 21 3.424 2.377 -4.247 159 HD2 PRO 21 HD2 PRO 21 6.019 2.092 -5.032 160 HD3 PRO 21 HD1 PRO 21 4.652 2.167 -6.159 161 H SER 22 HN SER 22 4.974 7.576 -4.606 162 HA SER 22 HA SER 22 7.495 7.597 -3.220 163 HB2 SER 22 HB2 SER 22 5.428 9.800 -3.298 164 HB3 SER 22 HB1 SER 22 7.159 9.960 -3.008 165 HG SER 22 HG SER 22 7.557 9.430 -5.128 166 H LYS 23 HN LYS 23 7.646 8.545 -0.988 167 HA LYS 23 HA LYS 23 6.281 6.958 0.858 168 HB2 LYS 23 HB2 LYS 23 8.370 7.861 1.504 169 HB3 LYS 23 HB1 LYS 23 7.862 9.505 1.152 170 HG2 LYS 23 HG2 LYS 23 6.352 8.058 3.246 171 HG3 LYS 23 HG1 LYS 23 8.007 8.527 3.629 172 HD2 LYS 23 HD2 LYS 23 6.195 10.556 2.413 173 HD3 LYS 23 HD1 LYS 23 5.967 10.138 4.110 174 HE2 LYS 23 HE2 LYS 23 7.457 12.098 3.691 175 HE3 LYS 23 HE1 LYS 23 8.179 10.813 4.653 176 HZ1 LYS 23 HZ1 LYS 23 9.350 10.044 2.703 177 HZ2 LYS 23 HZ2 LYS 23 9.704 11.667 2.992 178 HZ3 LYS 23 HZ3 LYS 23 8.639 11.248 1.747 179 H LYS 24 HN LYS 24 5.683 10.278 -0.191 180 HA LYS 24 HA LYS 24 3.715 10.994 1.640 181 HB2 LYS 24 HB2 LYS 24 3.579 11.850 -1.237 182 HB3 LYS 24 HB1 LYS 24 3.194 12.779 0.202 183 HG2 LYS 24 HG2 LYS 24 5.684 12.626 0.759 184 HG3 LYS 24 HG1 LYS 24 5.892 12.087 -0.907 185 HD2 LYS 24 HD2 LYS 24 4.538 14.204 -1.520 186 HD3 LYS 24 HD1 LYS 24 4.935 14.738 0.111 187 HE2 LYS 24 HE2 LYS 24 6.821 14.095 -2.138 188 HE3 LYS 24 HE1 LYS 24 6.585 15.644 -1.337 189 HZ1 LYS 24 HZ1 LYS 24 7.793 13.211 -0.135 190 HZ2 LYS 24 HZ2 LYS 24 7.505 14.652 0.698 191 HZ3 LYS 24 HZ3 LYS 24 8.612 14.620 -0.576 192 H GLU 25 HN GLU 25 3.485 9.135 -1.331 193 HA GLU 25 HA GLU 25 0.661 9.026 -1.485 194 HB2 GLU 25 HB2 GLU 25 2.951 7.794 -2.811 195 HB3 GLU 25 HB1 GLU 25 1.598 6.685 -2.638 196 HG2 GLU 25 HG2 GLU 25 0.141 8.340 -3.736 197 HG3 GLU 25 HG1 GLU 25 1.545 9.381 -3.975 198 H ILE 26 HN ILE 26 3.076 6.725 -0.288 199 HA ILE 26 HA ILE 26 1.309 4.740 0.594 200 HB ILE 26 HB ILE 26 4.034 5.412 1.714 201 HG12 ILE 26 HG12 ILE 26 3.388 3.376 -0.415 202 HG13 ILE 26 HG11 ILE 26 3.829 5.032 -0.814 203 HG21 ILE 26 HG21 ILE 26 2.788 3.895 3.148 204 HG22 ILE 26 HG22 ILE 26 4.100 3.035 2.344 205 HG23 ILE 26 HG23 ILE 26 2.443 2.848 1.772 206 HD11 ILE 26 HD11 ILE 26 5.701 3.429 -0.946 207 HD12 ILE 26 HD12 ILE 26 5.545 3.159 0.791 208 HD13 ILE 26 HD13 ILE 26 5.985 4.754 0.181 209 H GLY 27 HN GLY 27 2.740 7.492 2.313 210 HA2 GLY 27 HA2 GLY 27 1.810 6.930 4.880 211 HA3 GLY 27 HA1 GLY 27 2.158 8.537 4.267 212 H ALA 28 HN ALA 28 0.262 8.905 2.352 213 HA ALA 28 HA ALA 28 -2.030 9.524 3.898 214 HB1 ALA 28 HB1 ALA 28 -1.368 10.906 2.014 215 HB2 ALA 28 HB2 ALA 28 -3.006 10.292 1.775 216 HB3 ALA 28 HB3 ALA 28 -1.653 9.566 0.906 217 H MET 29 HN MET 29 -1.290 6.978 1.572 218 HA MET 29 HA MET 29 -3.884 5.906 1.339 219 HB2 MET 29 HB2 MET 29 -2.051 5.370 -0.208 220 HB3 MET 29 HB1 MET 29 -1.213 4.512 1.077 221 HG2 MET 29 HG2 MET 29 -3.317 3.058 1.212 222 HG3 MET 29 HG1 MET 29 -3.725 3.752 -0.357 223 HE1 MET 29 HE1 MET 29 -0.212 2.651 1.212 224 HE2 MET 29 HE2 MET 29 -0.126 1.020 0.543 225 HE3 MET 29 HE3 MET 29 -1.406 1.441 1.680 226 H LEU 30 HN LEU 30 -1.228 5.195 3.559 227 HA LEU 30 HA LEU 30 -2.337 2.960 4.830 228 HB2 LEU 30 HB2 LEU 30 -0.029 4.505 5.072 229 HB3 LEU 30 HB1 LEU 30 -0.811 4.630 6.638 230 HG LEU 30 HG LEU 30 -0.875 2.159 6.778 231 HD11 LEU 30 HD11 LEU 30 0.596 0.904 5.188 232 HD12 LEU 30 HD12 LEU 30 0.628 2.351 4.178 233 HD13 LEU 30 HD13 LEU 30 -0.898 1.523 4.488 234 HD21 LEU 30 HD21 LEU 30 1.544 1.858 7.152 235 HD22 LEU 30 HD22 LEU 30 0.937 3.369 7.834 236 HD23 LEU 30 HD23 LEU 30 1.841 3.385 6.320 237 H SER 31 HN SER 31 -2.441 6.395 5.821 238 HA SER 31 HA SER 31 -4.017 6.018 8.105 239 HB2 SER 31 HB2 SER 31 -4.104 8.487 6.371 240 HB3 SER 31 HB1 SER 31 -4.298 8.380 8.122 241 HG SER 31 HG SER 31 -2.127 7.876 8.313 242 H LEU 32 HN LEU 32 -4.896 6.450 4.725 243 HA LEU 32 HA LEU 32 -7.652 6.887 5.083 244 HB2 LEU 32 HB2 LEU 32 -6.201 7.172 2.978 245 HB3 LEU 32 HB1 LEU 32 -6.439 5.457 2.729 246 HG LEU 32 HG LEU 32 -7.952 7.133 1.473 247 HD11 LEU 32 HD11 LEU 32 -8.321 4.760 1.387 248 HD12 LEU 32 HD12 LEU 32 -9.867 5.582 1.601 249 HD13 LEU 32 HD13 LEU 32 -9.096 4.784 2.972 250 HD21 LEU 32 HD21 LEU 32 -9.927 7.867 2.614 251 HD22 LEU 32 HD22 LEU 32 -8.521 8.442 3.509 252 HD23 LEU 32 HD23 LEU 32 -9.432 7.050 4.096 253 H LEU 33 HN LEU 33 -5.854 3.894 4.386 254 HA LEU 33 HA LEU 33 -8.101 2.193 4.433 255 HB2 LEU 33 HB2 LEU 33 -5.254 1.472 5.086 256 HB3 LEU 33 HB1 LEU 33 -6.520 0.370 4.580 257 HG LEU 33 HG LEU 33 -5.254 2.536 2.896 258 HD11 LEU 33 HD11 LEU 33 -4.389 0.678 1.578 259 HD12 LEU 33 HD12 LEU 33 -5.120 -0.468 2.702 260 HD13 LEU 33 HD13 LEU 33 -3.821 0.594 3.245 261 HD21 LEU 33 HD21 LEU 33 -7.601 2.302 2.339 262 HD22 LEU 33 HD22 LEU 33 -7.414 0.552 2.202 263 HD23 LEU 33 HD23 LEU 33 -6.594 1.620 1.063 264 H GLN 34 HN GLN 34 -5.922 3.296 6.967 265 HA GLN 34 HA GLN 34 -6.859 1.510 8.965 266 HB2 GLN 34 HB2 GLN 34 -5.239 4.019 8.982 267 HB3 GLN 34 HB1 GLN 34 -5.876 3.407 10.501 268 HG2 GLN 34 HG2 GLN 34 -4.797 1.188 9.862 269 HG3 GLN 34 HG1 GLN 34 -3.933 2.108 8.630 270 HE21 GLN 34 HE21 GLN 34 -4.421 1.675 12.061 271 HE22 GLN 34 HE22 GLN 34 -2.965 2.464 12.561 272 H LYS 35 HN LYS 35 -7.792 4.811 8.049 273 HA LYS 35 HA LYS 35 -9.555 5.189 10.237 274 HB2 LYS 35 HB2 LYS 35 -10.099 7.220 9.302 275 HB3 LYS 35 HB1 LYS 35 -8.541 6.925 8.550 276 HG2 LYS 35 HG2 LYS 35 -9.508 6.377 6.489 277 HG3 LYS 35 HG1 LYS 35 -11.101 6.138 7.205 278 HD2 LYS 35 HD2 LYS 35 -10.971 8.637 7.818 279 HD3 LYS 35 HD1 LYS 35 -9.662 8.708 6.638 280 HE2 LYS 35 HE2 LYS 35 -11.142 7.875 4.906 281 HE3 LYS 35 HE1 LYS 35 -12.449 7.701 6.076 282 HZ1 LYS 35 HZ1 LYS 35 -12.501 10.065 6.375 283 HZ2 LYS 35 HZ2 LYS 35 -12.621 9.727 4.724 284 HZ3 LYS 35 HZ3 LYS 35 -11.159 10.278 5.366 285 H GLU 36 HN GLU 36 -9.932 3.675 7.117 286 HA GLU 36 HA GLU 36 -12.799 3.597 7.220 287 HB2 GLU 36 HB2 GLU 36 -10.829 2.094 5.490 288 HB3 GLU 36 HB1 GLU 36 -12.575 2.056 5.279 289 HG2 GLU 36 HG2 GLU 36 -10.880 4.538 5.116 290 HG3 GLU 36 HG1 GLU 36 -11.430 3.597 3.732 291 H GLY 37 HN GLY 37 -10.299 1.781 8.644 292 HA2 GLY 37 HA2 GLY 37 -10.709 0.193 10.351 293 HA3 GLY 37 HA1 GLY 37 -12.279 -0.138 9.633 294 H LEU 38 HN LEU 38 -10.021 0.004 7.211 295 HA LEU 38 HA LEU 38 -10.158 -2.812 6.743 296 HB2 LEU 38 HB2 LEU 38 -8.748 -0.545 5.364 297 HB3 LEU 38 HB1 LEU 38 -8.516 -2.207 4.864 298 HG LEU 38 HG LEU 38 -11.215 -0.870 4.962 299 HD11 LEU 38 HD11 LEU 38 -9.269 -1.136 2.679 300 HD12 LEU 38 HD12 LEU 38 -9.932 0.347 3.368 301 HD13 LEU 38 HD13 LEU 38 -10.980 -0.759 2.480 302 HD21 LEU 38 HD21 LEU 38 -11.866 -2.729 3.493 303 HD22 LEU 38 HD22 LEU 38 -11.296 -3.295 5.063 304 HD23 LEU 38 HD23 LEU 38 -10.247 -3.409 3.651 305 H LEU 39 HN LEU 39 -7.833 -0.617 8.109 306 HA LEU 39 HA LEU 39 -6.058 -2.898 8.644 307 HB2 LEU 39 HB2 LEU 39 -5.324 -0.050 7.986 308 HB3 LEU 39 HB1 LEU 39 -4.192 -1.185 8.692 309 HG LEU 39 HG LEU 39 -5.549 -1.550 6.017 310 HD11 LEU 39 HD11 LEU 39 -2.702 -0.785 6.631 311 HD12 LEU 39 HD12 LEU 39 -3.945 0.328 6.071 312 HD13 LEU 39 HD13 LEU 39 -3.422 -0.999 5.035 313 HD21 LEU 39 HD21 LEU 39 -3.337 -3.099 7.366 314 HD22 LEU 39 HD22 LEU 39 -3.905 -3.348 5.715 315 HD23 LEU 39 HD23 LEU 39 -4.979 -3.670 7.078 316 H MET 40 HN MET 40 -5.184 -3.044 10.679 317 HA MET 40 HA MET 40 -6.423 -1.320 12.706 318 HB2 MET 40 HB2 MET 40 -6.865 -3.595 13.175 319 HB3 MET 40 HB1 MET 40 -5.226 -4.083 12.771 320 HG2 MET 40 HG2 MET 40 -4.477 -2.749 14.789 321 HG3 MET 40 HG1 MET 40 -6.180 -2.642 15.224 322 HE1 MET 40 HE1 MET 40 -3.310 -5.031 14.266 323 HE2 MET 40 HE2 MET 40 -4.631 -5.900 13.484 324 HE3 MET 40 HE3 MET 40 -3.834 -6.592 14.896 325 H SER 41 HN SER 41 -3.369 -2.599 11.577 326 HA SER 41 HA SER 41 -1.956 -0.347 12.776 327 HB2 SER 41 HB2 SER 41 -0.167 -2.201 13.448 328 HB3 SER 41 HB1 SER 41 -1.492 -1.783 14.534 329 HG SER 41 HG SER 41 -2.328 -3.649 12.801 330 HA PRO 42 HA PRO 42 0.305 -0.393 8.981 331 HB2 PRO 42 HB2 PRO 42 2.891 0.048 9.821 332 HB3 PRO 42 HB1 PRO 42 1.660 1.315 9.685 333 HG2 PRO 42 HG2 PRO 42 2.577 -0.162 12.102 334 HG3 PRO 42 HG1 PRO 42 2.184 1.560 11.905 335 HD2 PRO 42 HD2 PRO 42 0.458 -0.139 13.053 336 HD3 PRO 42 HD1 PRO 42 -0.091 1.200 12.026 337 H SER 43 HN SER 43 1.185 -2.582 11.510 338 HA SER 43 HA SER 43 3.083 -4.101 10.003 339 HB2 SER 43 HB2 SER 43 2.396 -5.775 11.995 340 HB3 SER 43 HB1 SER 43 3.504 -4.422 12.223 341 HG SER 43 HG SER 43 0.922 -4.780 13.147 342 H ASP 44 HN ASP 44 -0.299 -3.914 9.991 343 HA ASP 44 HA ASP 44 -0.913 -6.641 9.423 344 HB2 ASP 44 HB2 ASP 44 -2.487 -4.128 8.816 345 HB3 ASP 44 HB1 ASP 44 -3.103 -5.765 8.639 346 H LEU 45 HN LEU 45 0.530 -4.172 7.628 347 HA LEU 45 HA LEU 45 -0.368 -4.728 5.024 348 HB2 LEU 45 HB2 LEU 45 2.004 -3.377 6.209 349 HB3 LEU 45 HB1 LEU 45 2.097 -3.839 4.523 350 HG LEU 45 HG LEU 45 1.417 -1.516 4.744 351 HD11 LEU 45 HD11 LEU 45 -0.881 -3.227 3.814 352 HD12 LEU 45 HD12 LEU 45 0.552 -2.831 2.865 353 HD13 LEU 45 HD13 LEU 45 -0.560 -1.555 3.356 354 HD21 LEU 45 HD21 LEU 45 -0.723 -0.914 5.752 355 HD22 LEU 45 HD22 LEU 45 0.370 -1.629 6.937 356 HD23 LEU 45 HD23 LEU 45 -0.953 -2.584 6.266 357 H TYR 46 HN TYR 46 1.902 -6.335 7.087 358 HA TYR 46 HA TYR 46 3.132 -7.831 4.935 359 HB2 TYR 46 HB2 TYR 46 3.451 -8.134 7.928 360 HB3 TYR 46 HB1 TYR 46 4.461 -8.882 6.697 361 HD1 TYR 46 HD1 TYR 46 5.917 -7.421 5.261 362 HD2 TYR 46 HD2 TYR 46 3.846 -5.925 8.660 363 HE1 TYR 46 HE1 TYR 46 7.407 -5.469 5.297 364 HE2 TYR 46 HE2 TYR 46 5.327 -3.960 8.706 365 HH TYR 46 HH TYR 46 7.505 -3.274 7.930 366 H SER 47 HN SER 47 0.177 -8.047 5.941 367 HA SER 47 HA SER 47 0.162 -10.969 6.262 368 HB2 SER 47 HB2 SER 47 -2.068 -9.025 6.904 369 HB3 SER 47 HB1 SER 47 -2.020 -10.744 7.288 370 HG SER 47 HG SER 47 0.033 -10.087 8.452 371 HA PRO 48 HA PRO 48 -1.173 -10.749 1.944 372 HB2 PRO 48 HB2 PRO 48 -1.227 -13.484 1.625 373 HB3 PRO 48 HB1 PRO 48 0.234 -12.490 1.458 374 HG2 PRO 48 HG2 PRO 48 -0.680 -14.122 3.770 375 HG3 PRO 48 HG1 PRO 48 0.952 -13.912 3.107 376 HD2 PRO 48 HD2 PRO 48 0.148 -12.630 5.322 377 HD3 PRO 48 HD1 PRO 48 1.272 -11.893 4.162 378 H GLY 49 HN GLY 49 -2.675 -12.578 4.545 379 HA2 GLY 49 HA2 GLY 49 -4.995 -13.339 3.090 380 HA3 GLY 49 HA1 GLY 49 -4.843 -13.303 4.839 381 H SER 50 HN SER 50 -4.060 -10.407 4.701 382 HA SER 50 HA SER 50 -6.771 -9.383 4.761 383 HB2 SER 50 HB2 SER 50 -4.317 -7.748 5.324 384 HB3 SER 50 HB1 SER 50 -5.922 -7.624 6.043 385 HG SER 50 HG SER 50 -5.349 -9.901 6.812 386 H TRP 51 HN TRP 51 -4.450 -9.682 2.408 387 HA TRP 51 HA TRP 51 -4.608 -7.129 1.156 388 HB2 TRP 51 HB2 TRP 51 -3.764 -9.839 0.122 389 HB3 TRP 51 HB1 TRP 51 -3.687 -8.373 -0.847 390 HD1 TRP 51 HD1 TRP 51 -2.713 -6.870 2.129 391 HE1 TRP 51 HE1 TRP 51 -0.176 -6.963 2.579 392 HE3 TRP 51 HE3 TRP 51 -1.460 -10.608 -1.121 393 HZ2 TRP 51 HZ2 TRP 51 2.056 -8.427 1.659 394 HZ3 TRP 51 HZ3 TRP 51 0.895 -11.290 -1.280 395 HH2 TRP 51 HH2 TRP 51 2.618 -10.224 0.076 396 H ASP 52 HN ASP 52 -6.387 -10.143 0.812 397 HA ASP 52 HA ASP 52 -7.741 -9.575 -1.557 398 HB2 ASP 52 HB2 ASP 52 -7.615 -11.786 -0.278 399 HB3 ASP 52 HB1 ASP 52 -8.951 -11.178 0.686 400 HA PRO 53 HA PRO 53 -11.515 -7.923 1.119 401 HB2 PRO 53 HB2 PRO 53 -10.633 -6.766 3.508 402 HB3 PRO 53 HB1 PRO 53 -11.466 -8.325 3.363 403 HG2 PRO 53 HG2 PRO 53 -8.568 -7.752 3.644 404 HG3 PRO 53 HG1 PRO 53 -9.536 -9.077 4.323 405 HD2 PRO 53 HD2 PRO 53 -7.930 -9.472 2.226 406 HD3 PRO 53 HD1 PRO 53 -9.500 -10.292 2.359 407 H ILE 54 HN ILE 54 -8.354 -6.363 1.713 408 HA ILE 54 HA ILE 54 -9.314 -3.720 1.503 409 HB ILE 54 HB ILE 54 -6.510 -4.725 0.997 410 HG12 ILE 54 HG12 ILE 54 -7.780 -3.613 3.508 411 HG13 ILE 54 HG11 ILE 54 -7.399 -5.309 3.235 412 HG21 ILE 54 HG21 ILE 54 -5.781 -2.470 1.375 413 HG22 ILE 54 HG22 ILE 54 -7.423 -1.953 1.748 414 HG23 ILE 54 HG23 ILE 54 -7.009 -2.451 0.108 415 HD11 ILE 54 HD11 ILE 54 -5.029 -4.756 3.110 416 HD12 ILE 54 HD12 ILE 54 -5.736 -4.239 4.642 417 HD13 ILE 54 HD13 ILE 54 -5.413 -3.055 3.375 418 H THR 55 HN THR 55 -7.690 -5.800 -0.893 419 HA THR 55 HA THR 55 -7.692 -3.936 -2.988 420 HB THR 55 HB THR 55 -7.862 -6.943 -3.276 421 HG1 THR 55 HG1 THR 55 -6.093 -6.648 -2.033 422 HG21 THR 55 HG21 THR 55 -6.564 -6.516 -5.350 423 HG22 THR 55 HG22 THR 55 -6.751 -4.783 -5.079 424 HG23 THR 55 HG23 THR 55 -8.169 -5.785 -5.386 425 H ALA 56 HN ALA 56 -10.100 -6.357 -2.041 426 HA ALA 56 HA ALA 56 -11.826 -5.941 -4.248 427 HB1 ALA 56 HB1 ALA 56 -12.321 -7.084 -1.506 428 HB2 ALA 56 HB2 ALA 56 -12.023 -7.966 -3.003 429 HB3 ALA 56 HB3 ALA 56 -13.527 -7.068 -2.790 430 H ALA 57 HN ALA 57 -11.891 -4.709 -0.912 431 HA ALA 57 HA ALA 57 -14.237 -3.195 -1.127 432 HB1 ALA 57 HB1 ALA 57 -13.018 -3.831 0.979 433 HB2 ALA 57 HB2 ALA 57 -13.622 -2.176 0.913 434 HB3 ALA 57 HB3 ALA 57 -11.909 -2.500 0.643 435 H LEU 58 HN LEU 58 -10.842 -2.207 -1.537 436 HA LEU 58 HA LEU 58 -11.317 0.501 -2.034 437 HB2 LEU 58 HB2 LEU 58 -9.088 -1.346 -2.807 438 HB3 LEU 58 HB1 LEU 58 -9.103 0.319 -3.360 439 HG LEU 58 HG LEU 58 -9.120 -0.554 -0.469 440 HD11 LEU 58 HD11 LEU 58 -6.846 0.039 -0.378 441 HD12 LEU 58 HD12 LEU 58 -6.897 0.796 -1.969 442 HD13 LEU 58 HD13 LEU 58 -7.017 -0.957 -1.823 443 HD21 LEU 58 HD21 LEU 58 -8.609 1.867 -0.086 444 HD22 LEU 58 HD22 LEU 58 -10.241 1.545 -0.664 445 HD23 LEU 58 HD23 LEU 58 -9.019 2.161 -1.776 446 H SER 59 HN SER 59 -11.097 -2.210 -4.316 447 HA SER 59 HA SER 59 -11.395 -0.654 -6.654 448 HB2 SER 59 HB2 SER 59 -12.151 -3.556 -6.225 449 HB3 SER 59 HB1 SER 59 -11.899 -2.765 -7.782 450 HG SER 59 HG SER 59 -10.040 -3.571 -5.855 451 H GLN 60 HN GLN 60 -13.724 -2.112 -4.458 452 HA GLN 60 HA GLN 60 -16.023 -1.766 -6.047 453 HB2 GLN 60 HB2 GLN 60 -16.095 -3.210 -4.118 454 HB3 GLN 60 HB1 GLN 60 -15.680 -1.882 -3.045 455 HG2 GLN 60 HG2 GLN 60 -17.814 -0.794 -3.614 456 HG3 GLN 60 HG1 GLN 60 -18.233 -2.184 -4.612 457 HE21 GLN 60 HE21 GLN 60 -16.529 -2.440 -1.565 458 HE22 GLN 60 HE22 GLN 60 -17.811 -3.204 -0.698 459 H ARG 61 HN ARG 61 -14.799 0.230 -3.351 460 HA ARG 61 HA ARG 61 -16.693 2.300 -3.782 461 HB2 ARG 61 HB2 ARG 61 -15.231 3.635 -2.257 462 HB3 ARG 61 HB1 ARG 61 -15.744 2.085 -1.606 463 HG2 ARG 61 HG2 ARG 61 -13.650 1.448 -1.300 464 HG3 ARG 61 HG1 ARG 61 -13.239 1.802 -2.979 465 HD2 ARG 61 HD2 ARG 61 -13.527 4.072 -1.079 466 HD3 ARG 61 HD1 ARG 61 -12.081 3.069 -0.975 467 HE ARG 61 HE ARG 61 -12.627 3.923 -3.652 468 HH11 ARG 61 HH11 ARG 61 -10.167 6.070 -1.300 469 HH12 ARG 61 HH12 ARG 61 -11.260 4.906 -0.600 470 HH21 ARG 61 HH21 ARG 61 -11.169 5.450 -4.602 471 HH22 ARG 61 HH22 ARG 61 -10.102 6.361 -3.565 472 H ALA 62 HN ALA 62 -13.710 1.539 -5.295 473 HA ALA 62 HA ALA 62 -12.944 4.113 -6.161 474 HB1 ALA 62 HB1 ALA 62 -12.402 1.362 -7.243 475 HB2 ALA 62 HB2 ALA 62 -11.320 2.421 -6.337 476 HB3 ALA 62 HB3 ALA 62 -11.757 2.819 -7.999 477 H MET 63 HN MET 63 -14.924 1.601 -7.698 478 HA MET 63 HA MET 63 -15.483 3.235 -9.992 479 HB2 MET 63 HB2 MET 63 -16.857 1.425 -10.757 480 HB3 MET 63 HB1 MET 63 -15.401 0.736 -10.053 481 HG2 MET 63 HG2 MET 63 -16.691 0.318 -7.966 482 HG3 MET 63 HG1 MET 63 -18.140 0.855 -8.815 483 HE1 MET 63 HE1 MET 63 -15.068 -1.383 -10.040 484 HE2 MET 63 HE2 MET 63 -15.748 -2.977 -9.720 485 HE3 MET 63 HE3 MET 63 -15.438 -1.869 -8.385 486 H ILE 64 HN ILE 64 -16.936 2.731 -6.885 487 HA ILE 64 HA ILE 64 -19.511 3.768 -7.618 488 HB ILE 64 HB ILE 64 -18.252 3.185 -4.936 489 HG12 ILE 64 HG12 ILE 64 -20.499 1.851 -6.457 490 HG13 ILE 64 HG11 ILE 64 -18.847 1.254 -6.354 491 HG21 ILE 64 HG21 ILE 64 -20.493 3.539 -3.961 492 HG22 ILE 64 HG22 ILE 64 -21.045 4.170 -5.515 493 HG23 ILE 64 HG23 ILE 64 -19.790 5.017 -4.613 494 HD11 ILE 64 HD11 ILE 64 -20.810 1.522 -4.092 495 HD12 ILE 64 HD12 ILE 64 -19.127 1.025 -3.912 496 HD13 ILE 64 HD13 ILE 64 -20.247 0.029 -4.842 497 H LEU 65 HN LEU 65 -16.660 5.023 -5.921 498 HA LEU 65 HA LEU 65 -17.871 7.627 -5.590 499 HB2 LEU 65 HB2 LEU 65 -15.985 6.260 -4.195 500 HB3 LEU 65 HB1 LEU 65 -14.971 7.318 -5.156 501 HG LEU 65 HG LEU 65 -16.163 9.277 -4.254 502 HD11 LEU 65 HD11 LEU 65 -17.683 7.186 -2.712 503 HD12 LEU 65 HD12 LEU 65 -18.329 8.422 -3.792 504 HD13 LEU 65 HD13 LEU 65 -17.627 8.885 -2.243 505 HD21 LEU 65 HD21 LEU 65 -14.137 8.488 -3.163 506 HD22 LEU 65 HD22 LEU 65 -15.087 7.391 -2.160 507 HD23 LEU 65 HD23 LEU 65 -15.270 9.135 -1.980 508 H GLY 66 HN GLY 66 -16.066 6.018 -7.982 509 HA2 GLY 66 HA2 GLY 66 -15.426 6.742 -10.076 510 HA3 GLY 66 HA1 GLY 66 -16.070 8.329 -9.679 511 H LYS 67 HN LYS 67 -13.604 6.534 -7.914 512 HA LYS 67 HA LYS 67 -11.406 7.965 -9.019 513 HB2 LYS 67 HB2 LYS 67 -10.771 9.159 -6.898 514 HB3 LYS 67 HB1 LYS 67 -12.156 9.834 -7.742 515 HG2 LYS 67 HG2 LYS 67 -13.667 8.798 -6.160 516 HG3 LYS 67 HG1 LYS 67 -12.311 8.009 -5.351 517 HD2 LYS 67 HD2 LYS 67 -12.867 9.923 -4.046 518 HD3 LYS 67 HD1 LYS 67 -11.377 10.310 -4.908 519 HE2 LYS 67 HE2 LYS 67 -13.047 11.278 -6.691 520 HE3 LYS 67 HE1 LYS 67 -14.138 11.357 -5.309 521 HZ1 LYS 67 HZ1 LYS 67 -12.612 12.748 -4.157 522 HZ2 LYS 67 HZ2 LYS 67 -12.840 13.407 -5.696 523 HZ3 LYS 67 HZ3 LYS 67 -11.426 12.550 -5.348 524 H SER 68 HN SER 68 -9.578 6.847 -8.694 525 HA SER 68 HA SER 68 -9.526 4.884 -6.511 526 HB2 SER 68 HB2 SER 68 -8.142 3.525 -8.325 527 HB3 SER 68 HB1 SER 68 -9.901 3.417 -8.247 528 HG SER 68 HG SER 68 -8.595 4.007 -10.336 529 H GLY 69 HN GLY 69 -8.332 7.453 -6.461 530 HA2 GLY 69 HA2 GLY 69 -5.663 7.570 -7.272 531 HA3 GLY 69 HA1 GLY 69 -6.343 8.448 -5.910 532 H GLU 70 HN GLU 70 -6.961 6.589 -4.114 533 HA GLU 70 HA GLU 70 -4.423 5.826 -3.074 534 HB2 GLU 70 HB2 GLU 70 -7.036 4.768 -2.036 535 HB3 GLU 70 HB1 GLU 70 -5.577 5.167 -1.139 536 HG2 GLU 70 HG2 GLU 70 -6.767 6.989 -0.568 537 HG3 GLU 70 HG1 GLU 70 -6.166 7.590 -2.113 538 H LEU 71 HN LEU 71 -6.968 4.160 -4.783 539 HA LEU 71 HA LEU 71 -6.164 1.515 -4.257 540 HB2 LEU 71 HB2 LEU 71 -8.348 1.940 -5.146 541 HB3 LEU 71 HB1 LEU 71 -7.682 2.729 -6.559 542 HG LEU 71 HG LEU 71 -6.711 0.523 -7.252 543 HD11 LEU 71 HD11 LEU 71 -6.755 -0.479 -4.974 544 HD12 LEU 71 HD12 LEU 71 -7.461 -1.496 -6.227 545 HD13 LEU 71 HD13 LEU 71 -8.508 -0.609 -5.121 546 HD21 LEU 71 HD21 LEU 71 -8.900 -0.420 -7.958 547 HD22 LEU 71 HD22 LEU 71 -8.715 1.300 -8.291 548 HD23 LEU 71 HD23 LEU 71 -9.693 0.769 -6.922 549 H LYS 72 HN LYS 72 -5.180 3.867 -6.683 550 HA LYS 72 HA LYS 72 -3.657 2.121 -8.279 551 HB2 LYS 72 HB2 LYS 72 -3.508 5.099 -7.831 552 HB3 LYS 72 HB1 LYS 72 -2.437 4.262 -8.948 553 HG2 LYS 72 HG2 LYS 72 -4.575 3.351 -10.019 554 HG3 LYS 72 HG1 LYS 72 -5.405 4.616 -9.109 555 HD2 LYS 72 HD2 LYS 72 -3.099 5.111 -10.985 556 HD3 LYS 72 HD1 LYS 72 -4.793 5.260 -11.440 557 HE2 LYS 72 HE2 LYS 72 -5.085 6.977 -9.696 558 HE3 LYS 72 HE1 LYS 72 -3.372 6.849 -9.308 559 HZ1 LYS 72 HZ1 LYS 72 -4.481 7.675 -11.932 560 HZ2 LYS 72 HZ2 LYS 72 -2.839 7.572 -11.542 561 HZ3 LYS 72 HZ3 LYS 72 -3.819 8.715 -10.774 562 H THR 73 HN THR 73 -2.852 4.088 -5.458 563 HA THR 73 HA THR 73 -0.095 3.492 -5.411 564 HB THR 73 HB THR 73 -1.829 4.102 -3.010 565 HG1 THR 73 HG1 THR 73 -0.499 5.998 -4.687 566 HG21 THR 73 HG21 THR 73 1.084 4.689 -3.576 567 HG22 THR 73 HG22 THR 73 0.483 3.412 -2.520 568 HG23 THR 73 HG23 THR 73 0.204 5.103 -2.103 569 H TRP 74 HN TRP 74 -2.916 2.027 -3.853 570 HA TRP 74 HA TRP 74 -1.626 0.067 -2.348 571 HB2 TRP 74 HB2 TRP 74 -3.965 0.510 -1.993 572 HB3 TRP 74 HB1 TRP 74 -4.359 0.067 -3.649 573 HD1 TRP 74 HD1 TRP 74 -5.157 -2.349 -4.001 574 HE1 TRP 74 HE1 TRP 74 -5.140 -4.517 -2.601 575 HE3 TRP 74 HE3 TRP 74 -2.369 -0.725 -0.029 576 HZ2 TRP 74 HZ2 TRP 74 -4.086 -5.405 -0.141 577 HZ3 TRP 74 HZ3 TRP 74 -1.904 -2.297 1.805 578 HH2 TRP 74 HH2 TRP 74 -2.744 -4.588 1.749 579 H GLY 75 HN GLY 75 -2.899 -0.089 -5.665 580 HA2 GLY 75 HA2 GLY 75 -2.274 -2.757 -6.206 581 HA3 GLY 75 HA1 GLY 75 -2.409 -1.489 -7.415 582 H LEU 76 HN LEU 76 -0.213 0.075 -6.231 583 HA LEU 76 HA LEU 76 1.942 -1.188 -7.632 584 HB2 LEU 76 HB2 LEU 76 1.836 1.294 -5.920 585 HB3 LEU 76 HB1 LEU 76 3.265 0.769 -6.790 586 HG LEU 76 HG LEU 76 0.647 1.407 -8.139 587 HD11 LEU 76 HD11 LEU 76 1.527 3.380 -6.981 588 HD12 LEU 76 HD12 LEU 76 1.611 3.549 -8.733 589 HD13 LEU 76 HD13 LEU 76 3.067 3.170 -7.812 590 HD21 LEU 76 HD21 LEU 76 3.450 1.100 -9.205 591 HD22 LEU 76 HD22 LEU 76 2.026 1.538 -10.149 592 HD23 LEU 76 HD23 LEU 76 2.133 -0.056 -9.401 593 H VAL 77 HN VAL 77 1.318 -0.355 -4.239 594 HA VAL 77 HA VAL 77 3.669 -1.510 -3.176 595 HB VAL 77 HB VAL 77 1.003 -1.075 -1.807 596 HG11 VAL 77 HG11 VAL 77 2.432 -2.638 -0.583 597 HG12 VAL 77 HG12 VAL 77 2.285 -1.104 0.276 598 HG13 VAL 77 HG13 VAL 77 3.754 -1.468 -0.627 599 HG21 VAL 77 HG21 VAL 77 3.443 0.693 -1.926 600 HG22 VAL 77 HG22 VAL 77 1.985 1.011 -0.986 601 HG23 VAL 77 HG23 VAL 77 1.911 0.985 -2.749 602 H LEU 78 HN LEU 78 0.398 -2.732 -3.657 603 HA LEU 78 HA LEU 78 0.628 -5.211 -2.408 604 HB2 LEU 78 HB2 LEU 78 -1.483 -4.192 -3.232 605 HB3 LEU 78 HB1 LEU 78 -0.980 -4.532 -4.875 606 HG LEU 78 HG LEU 78 -0.978 -6.968 -4.303 607 HD11 LEU 78 HD11 LEU 78 -2.256 -7.625 -2.281 608 HD12 LEU 78 HD12 LEU 78 -2.212 -5.941 -1.755 609 HD13 LEU 78 HD13 LEU 78 -0.711 -6.853 -1.919 610 HD21 LEU 78 HD21 LEU 78 -2.844 -6.007 -5.489 611 HD22 LEU 78 HD22 LEU 78 -3.554 -5.438 -3.978 612 HD23 LEU 78 HD23 LEU 78 -3.445 -7.168 -4.305 613 H GLY 79 HN GLY 79 1.296 -4.287 -5.774 614 HA2 GLY 79 HA2 GLY 79 1.940 -6.813 -6.775 615 HA3 GLY 79 HA1 GLY 79 2.564 -5.292 -7.400 616 H ALA 80 HN ALA 80 4.019 -4.410 -5.207 617 HA ALA 80 HA ALA 80 6.413 -5.904 -5.529 618 HB1 ALA 80 HB1 ALA 80 5.762 -3.701 -3.575 619 HB2 ALA 80 HB2 ALA 80 6.441 -3.493 -5.189 620 HB3 ALA 80 HB3 ALA 80 7.376 -4.311 -3.938 621 H LEU 81 HN LEU 81 4.004 -5.662 -2.968 622 HA LEU 81 HA LEU 81 5.422 -7.172 -1.038 623 HB2 LEU 81 HB2 LEU 81 2.502 -6.548 -1.400 624 HB3 LEU 81 HB1 LEU 81 3.084 -7.529 -0.070 625 HG LEU 81 HG LEU 81 3.846 -4.657 -0.606 626 HD11 LEU 81 HD11 LEU 81 2.108 -5.873 1.537 627 HD12 LEU 81 HD12 LEU 81 1.549 -4.901 0.176 628 HD13 LEU 81 HD13 LEU 81 2.572 -4.177 1.417 629 HD21 LEU 81 HD21 LEU 81 4.655 -6.577 1.568 630 HD22 LEU 81 HD22 LEU 81 4.856 -4.829 1.681 631 HD23 LEU 81 HD23 LEU 81 5.702 -5.734 0.426 632 H LYS 82 HN LYS 82 3.023 -8.043 -3.488 633 HA LYS 82 HA LYS 82 2.781 -10.751 -2.764 634 HB2 LYS 82 HB2 LYS 82 2.343 -9.343 -5.395 635 HB3 LYS 82 HB1 LYS 82 2.039 -11.060 -5.176 636 HG2 LYS 82 HG2 LYS 82 0.559 -10.277 -3.190 637 HG3 LYS 82 HG1 LYS 82 0.588 -8.725 -4.025 638 HD2 LYS 82 HD2 LYS 82 -0.294 -9.764 -6.034 639 HD3 LYS 82 HD1 LYS 82 -0.277 -11.343 -5.248 640 HE2 LYS 82 HE2 LYS 82 -1.813 -10.377 -3.511 641 HE3 LYS 82 HE1 LYS 82 -1.953 -8.950 -4.532 642 HZ1 LYS 82 HZ1 LYS 82 -2.588 -11.676 -5.491 643 HZ2 LYS 82 HZ2 LYS 82 -2.971 -10.204 -6.231 644 HZ3 LYS 82 HZ3 LYS 82 -3.746 -10.657 -4.799 645 H ALA 83 HN ALA 83 4.966 -9.104 -5.006 646 HA ALA 83 HA ALA 83 6.239 -11.368 -6.050 647 HB1 ALA 83 HB1 ALA 83 7.451 -8.645 -5.588 648 HB2 ALA 83 HB2 ALA 83 6.469 -9.098 -6.981 649 HB3 ALA 83 HB3 ALA 83 8.027 -9.879 -6.709 650 H ALA 84 HN ALA 84 6.871 -9.469 -3.145 651 HA ALA 84 HA ALA 84 9.262 -10.791 -2.407 652 HB1 ALA 84 HB1 ALA 84 8.996 -9.734 -0.257 653 HB2 ALA 84 HB2 ALA 84 7.300 -9.390 -0.596 654 HB3 ALA 84 HB3 ALA 84 8.565 -8.583 -1.523 655 H ARG 85 HN ARG 85 5.864 -11.466 -1.869 656 HA ARG 85 HA ARG 85 6.284 -13.470 0.124 657 HB2 ARG 85 HB2 ARG 85 3.967 -12.511 -1.486 658 HB3 ARG 85 HB1 ARG 85 3.847 -14.093 -0.730 659 HG2 ARG 85 HG2 ARG 85 4.522 -11.573 0.770 660 HG3 ARG 85 HG1 ARG 85 2.888 -12.217 0.596 661 HD2 ARG 85 HD2 ARG 85 3.537 -14.262 1.712 662 HD3 ARG 85 HD1 ARG 85 5.206 -13.710 1.806 663 HE ARG 85 HE ARG 85 3.744 -11.772 3.076 664 HH11 ARG 85 HH11 ARG 85 3.969 -15.190 5.181 665 HH12 ARG 85 HH12 ARG 85 4.206 -15.220 3.465 666 HH21 ARG 85 HH21 ARG 85 3.385 -11.732 5.339 667 HH22 ARG 85 HH22 ARG 85 3.503 -13.210 6.247 668 H GLU 86 HN GLU 86 6.104 -13.456 -3.367 669 HA GLU 86 HA GLU 86 5.912 -16.315 -3.592 670 HB2 GLU 86 HB2 GLU 86 6.729 -14.309 -5.702 671 HB3 GLU 86 HB1 GLU 86 6.199 -15.961 -5.980 672 HG2 GLU 86 HG2 GLU 86 4.160 -14.722 -4.499 673 HG3 GLU 86 HG1 GLU 86 4.648 -13.570 -5.741 674 H GLU 87 HN GLU 87 8.394 -14.107 -2.972 675 HA GLU 87 HA GLU 87 10.469 -16.005 -3.818 676 HB2 GLU 87 HB2 GLU 87 10.397 -13.037 -3.479 677 HB3 GLU 87 HB1 GLU 87 11.927 -13.874 -3.271 678 HG2 GLU 87 HG2 GLU 87 10.447 -14.618 -5.681 679 HG3 GLU 87 HG1 GLU 87 10.976 -12.941 -5.622 680 H1 IHP 101 H37 IHP 0 14.666 11.662 1.354 681 H2 IHP 101 H38 IHP 0 12.995 12.018 3.123 682 H3 IHP 101 H39 IHP 0 12.608 12.996 0.890 683 H4 IHP 101 H40 IHP 0 11.044 10.405 0.392 684 H5 IHP 101 H41 IHP 0 13.575 11.550 -0.904 685 H6 IHP 101 H42 IHP 0 13.117 9.078 0.827 Start of MODEL 13 1 H1 SER 1 HT1 SER 1 3.261 6.524 9.634 2 H2 SER 1 HT2 SER 1 2.756 5.516 10.893 3 H3 SER 1 HT3 SER 1 3.865 4.947 9.755 4 HA SER 1 HA SER 1 4.367 7.207 11.575 5 HB2 SER 1 HB2 SER 1 5.748 4.593 11.953 6 HB3 SER 1 HB1 SER 1 5.247 5.787 13.150 7 HG SER 1 HG SER 1 3.606 4.518 13.477 8 H GLU 2 HN GLU 2 6.682 4.711 10.650 9 HA GLU 2 HA GLU 2 7.720 6.121 8.413 10 HB2 GLU 2 HB2 GLU 2 10.030 6.374 9.794 11 HB3 GLU 2 HB1 GLU 2 8.889 7.681 9.538 12 HG2 GLU 2 HG2 GLU 2 9.524 7.721 11.819 13 HG3 GLU 2 HG1 GLU 2 7.869 7.123 11.747 14 H ALA 3 HN ALA 3 8.630 3.930 11.053 15 HA ALA 3 HA ALA 3 10.671 2.528 9.879 16 HB1 ALA 3 HB1 ALA 3 9.905 2.283 12.211 17 HB2 ALA 3 HB2 ALA 3 10.193 0.738 11.407 18 HB3 ALA 3 HB3 ALA 3 8.545 1.321 11.632 19 H VAL 4 HN VAL 4 7.350 1.208 9.951 20 HA VAL 4 HA VAL 4 7.866 -0.824 8.097 21 HB VAL 4 HB VAL 4 5.226 0.462 8.796 22 HG11 VAL 4 HG11 VAL 4 5.107 -0.721 6.653 23 HG12 VAL 4 HG12 VAL 4 4.181 -1.549 7.904 24 HG13 VAL 4 HG13 VAL 4 5.760 -2.170 7.421 25 HG21 VAL 4 HG21 VAL 4 6.488 -2.088 9.799 26 HG22 VAL 4 HG22 VAL 4 4.940 -1.410 10.303 27 HG23 VAL 4 HG23 VAL 4 6.438 -0.565 10.688 28 H ILE 5 HN ILE 5 6.575 2.443 7.603 29 HA ILE 5 HA ILE 5 5.868 2.139 4.905 30 HB ILE 5 HB ILE 5 6.830 4.695 6.191 31 HG12 ILE 5 HG12 ILE 5 4.045 3.522 6.077 32 HG13 ILE 5 HG11 ILE 5 5.043 3.649 7.519 33 HG21 ILE 5 HG21 ILE 5 4.997 4.223 3.835 34 HG22 ILE 5 HG22 ILE 5 6.669 4.777 3.748 35 HG23 ILE 5 HG23 ILE 5 5.443 5.794 4.504 36 HD11 ILE 5 HD11 ILE 5 4.022 5.972 5.906 37 HD12 ILE 5 HD12 ILE 5 4.952 6.064 7.403 38 HD13 ILE 5 HD13 ILE 5 3.325 5.385 7.415 39 H LYS 6 HN LYS 6 8.911 3.236 6.388 40 HA LYS 6 HA LYS 6 10.275 3.870 4.034 41 HB2 LYS 6 HB2 LYS 6 10.859 3.931 6.711 42 HB3 LYS 6 HB1 LYS 6 11.918 2.650 6.147 43 HG2 LYS 6 HG2 LYS 6 11.816 5.418 4.967 44 HG3 LYS 6 HG1 LYS 6 12.986 4.876 6.169 45 HD2 LYS 6 HD2 LYS 6 13.783 3.156 4.616 46 HD3 LYS 6 HD1 LYS 6 12.611 3.705 3.415 47 HE2 LYS 6 HE2 LYS 6 14.806 5.400 4.585 48 HE3 LYS 6 HE1 LYS 6 14.894 4.576 3.033 49 HZ1 LYS 6 HZ1 LYS 6 14.205 6.629 2.386 50 HZ2 LYS 6 HZ2 LYS 6 13.330 6.928 3.801 51 HZ3 LYS 6 HZ3 LYS 6 12.697 5.900 2.619 52 H VAL 7 HN VAL 7 9.991 0.800 5.775 53 HA VAL 7 HA VAL 7 11.743 -0.691 4.151 54 HB VAL 7 HB VAL 7 9.316 -1.670 5.680 55 HG11 VAL 7 HG11 VAL 7 11.715 -3.197 4.668 56 HG12 VAL 7 HG12 VAL 7 10.085 -3.282 4.002 57 HG13 VAL 7 HG13 VAL 7 10.398 -3.857 5.639 58 HG21 VAL 7 HG21 VAL 7 10.915 -0.494 7.106 59 HG22 VAL 7 HG22 VAL 7 12.215 -1.528 6.509 60 HG23 VAL 7 HG23 VAL 7 10.901 -2.223 7.456 61 H ILE 8 HN ILE 8 8.324 0.068 3.919 62 HA ILE 8 HA ILE 8 7.637 -1.618 1.785 63 HB ILE 8 HB ILE 8 6.487 1.035 2.655 64 HG12 ILE 8 HG12 ILE 8 6.210 -0.769 4.272 65 HG13 ILE 8 HG11 ILE 8 4.660 -0.361 3.544 66 HG21 ILE 8 HG21 ILE 8 4.563 0.596 1.248 67 HG22 ILE 8 HG22 ILE 8 5.307 -0.891 0.662 68 HG23 ILE 8 HG23 ILE 8 6.030 0.668 0.267 69 HD11 ILE 8 HD11 ILE 8 4.737 -2.704 3.681 70 HD12 ILE 8 HD12 ILE 8 6.375 -2.772 3.033 71 HD13 ILE 8 HD13 ILE 8 5.031 -2.315 1.986 72 H SER 9 HN SER 9 8.632 1.818 1.764 73 HA SER 9 HA SER 9 8.560 2.100 -1.042 74 HB2 SER 9 HB2 SER 9 10.312 4.027 -0.292 75 HB3 SER 9 HB1 SER 9 8.563 4.176 -0.132 76 HG SER 9 HG SER 9 10.221 4.425 1.777 77 H SER 10 HN SER 10 11.266 1.430 1.181 78 HA SER 10 HA SER 10 13.289 1.390 -0.751 79 HB2 SER 10 HB2 SER 10 13.078 -0.118 1.863 80 HB3 SER 10 HB1 SER 10 14.553 0.006 0.903 81 HG SER 10 HG SER 10 13.383 2.432 1.365 82 H ALA 11 HN ALA 11 10.979 -1.070 0.199 83 HA ALA 11 HA ALA 11 12.275 -3.191 -1.229 84 HB1 ALA 11 HB1 ALA 11 9.461 -3.015 -0.160 85 HB2 ALA 11 HB2 ALA 11 10.859 -3.670 0.693 86 HB3 ALA 11 HB3 ALA 11 10.251 -4.477 -0.753 87 H CYS 12 HN CYS 12 9.394 -1.167 -1.844 88 HA CYS 12 HA CYS 12 8.782 -2.382 -4.316 89 HB2 CYS 12 HB2 CYS 12 7.281 -0.509 -4.703 90 HB3 CYS 12 HB1 CYS 12 7.137 -1.064 -3.041 91 HG CYS 12 HG CYS 12 9.319 1.203 -2.743 92 H LYS 13 HN LYS 13 11.006 0.157 -3.435 93 HA LYS 13 HA LYS 13 11.348 1.278 -6.006 94 HB2 LYS 13 HB2 LYS 13 12.164 1.991 -3.552 95 HB3 LYS 13 HB1 LYS 13 13.651 1.261 -4.139 96 HG2 LYS 13 HG2 LYS 13 13.804 2.805 -5.936 97 HG3 LYS 13 HG1 LYS 13 12.165 3.394 -5.647 98 HD2 LYS 13 HD2 LYS 13 12.934 4.180 -3.398 99 HD3 LYS 13 HD1 LYS 13 14.577 3.753 -3.877 100 HE2 LYS 13 HE2 LYS 13 14.639 5.387 -5.554 101 HE3 LYS 13 HE1 LYS 13 12.889 5.596 -5.532 102 HZ1 LYS 13 HZ1 LYS 13 13.892 7.444 -4.435 103 HZ2 LYS 13 HZ2 LYS 13 14.803 6.437 -3.429 104 HZ3 LYS 13 HZ3 LYS 13 13.126 6.503 -3.258 105 H THR 14 HN THR 14 12.351 -1.723 -4.714 106 HA THR 14 HA THR 14 14.503 -2.017 -6.668 107 HB THR 14 HB THR 14 13.710 -4.300 -4.938 108 HG1 THR 14 HG1 THR 14 14.978 -1.943 -3.937 109 HG21 THR 14 HG21 THR 14 16.373 -3.041 -5.607 110 HG22 THR 14 HG22 THR 14 15.644 -4.408 -6.453 111 HG23 THR 14 HG23 THR 14 16.127 -4.571 -4.765 112 H TYR 15 HN TYR 15 11.182 -2.754 -6.272 113 HA TYR 15 HA TYR 15 11.299 -4.854 -8.318 114 HB2 TYR 15 HB2 TYR 15 9.104 -4.093 -6.389 115 HB3 TYR 15 HB1 TYR 15 8.931 -5.318 -7.643 116 HD1 TYR 15 HD1 TYR 15 9.410 -4.969 -4.282 117 HD2 TYR 15 HD2 TYR 15 11.132 -6.994 -7.602 118 HE1 TYR 15 HE1 TYR 15 10.351 -6.652 -2.759 119 HE2 TYR 15 HE2 TYR 15 12.076 -8.683 -6.090 120 HH TYR 15 HH TYR 15 12.697 -8.931 -3.779 121 H CYS 16 HN CYS 16 9.589 -1.844 -7.532 122 HA CYS 16 HA CYS 16 8.499 -1.765 -10.240 123 HB2 CYS 16 HB2 CYS 16 8.041 0.265 -8.059 124 HB3 CYS 16 HB1 CYS 16 7.031 -0.073 -9.463 125 HG CYS 16 HG CYS 16 6.808 -2.863 -8.229 126 H GLY 17 HN GLY 17 11.161 -0.672 -8.526 127 HA2 GLY 17 HA2 GLY 17 12.906 0.696 -9.100 128 HA3 GLY 17 HA1 GLY 17 12.238 0.725 -10.723 129 H LYS 18 HN LYS 18 11.777 2.680 -11.433 130 HA LYS 18 HA LYS 18 11.398 4.845 -9.523 131 HB2 LYS 18 HB2 LYS 18 11.585 6.318 -11.492 132 HB3 LYS 18 HB1 LYS 18 12.952 5.222 -11.357 133 HG2 LYS 18 HG2 LYS 18 11.093 3.881 -12.940 134 HG3 LYS 18 HG1 LYS 18 11.086 5.551 -13.513 135 HD2 LYS 18 HD2 LYS 18 13.624 4.004 -13.053 136 HD3 LYS 18 HD1 LYS 18 12.763 3.975 -14.589 137 HE2 LYS 18 HE2 LYS 18 13.011 6.392 -14.785 138 HE3 LYS 18 HE1 LYS 18 13.820 6.448 -13.222 139 HZ1 LYS 18 HZ1 LYS 18 15.588 5.055 -14.154 140 HZ2 LYS 18 HZ2 LYS 18 15.428 6.508 -15.001 141 HZ3 LYS 18 HZ3 LYS 18 14.820 5.075 -15.664 142 H THR 19 HN THR 19 9.434 2.648 -10.871 143 HA THR 19 HA THR 19 7.228 4.420 -11.545 144 HB THR 19 HB THR 19 6.801 1.490 -11.325 145 HG1 THR 19 HG1 THR 19 8.649 1.188 -12.358 146 HG21 THR 19 HG21 THR 19 5.734 1.926 -13.575 147 HG22 THR 19 HG22 THR 19 6.085 3.637 -13.320 148 HG23 THR 19 HG23 THR 19 5.009 2.783 -12.215 149 H SER 20 HN SER 20 8.570 3.256 -8.801 150 HA SER 20 HA SER 20 6.339 2.396 -7.290 151 HB2 SER 20 HB2 SER 20 8.785 3.643 -6.071 152 HB3 SER 20 HB1 SER 20 7.832 2.271 -5.501 153 HG SER 20 HG SER 20 9.954 2.329 -7.235 154 HA PRO 21 HA PRO 21 4.597 6.324 -6.200 155 HB2 PRO 21 HB2 PRO 21 3.218 5.650 -3.981 156 HB3 PRO 21 HB1 PRO 21 2.746 5.057 -5.588 157 HG2 PRO 21 HG2 PRO 21 4.211 3.649 -3.416 158 HG3 PRO 21 HG1 PRO 21 2.967 3.042 -4.524 159 HD2 PRO 21 HD2 PRO 21 5.662 2.614 -4.849 160 HD3 PRO 21 HD1 PRO 21 4.471 2.566 -6.163 161 H SER 22 HN SER 22 5.113 8.095 -4.972 162 HA SER 22 HA SER 22 7.403 7.963 -3.306 163 HB2 SER 22 HB2 SER 22 5.409 10.203 -3.722 164 HB3 SER 22 HB1 SER 22 6.961 10.371 -2.902 165 HG SER 22 HG SER 22 8.015 9.961 -4.799 166 H LYS 23 HN LYS 23 7.520 8.638 -1.062 167 HA LYS 23 HA LYS 23 5.885 7.123 0.609 168 HB2 LYS 23 HB2 LYS 23 8.066 7.718 1.352 169 HB3 LYS 23 HB1 LYS 23 7.739 9.433 1.166 170 HG2 LYS 23 HG2 LYS 23 5.947 8.080 3.041 171 HG3 LYS 23 HG1 LYS 23 7.648 8.051 3.506 172 HD2 LYS 23 HD2 LYS 23 6.461 10.621 2.574 173 HD3 LYS 23 HD1 LYS 23 6.081 10.052 4.201 174 HE2 LYS 23 HE2 LYS 23 8.004 11.552 4.223 175 HE3 LYS 23 HE1 LYS 23 8.461 9.930 4.720 176 HZ1 LYS 23 HZ1 LYS 23 10.033 11.023 3.162 177 HZ2 LYS 23 HZ2 LYS 23 8.842 10.957 1.962 178 HZ3 LYS 23 HZ3 LYS 23 9.460 9.529 2.624 179 H LYS 24 HN LYS 24 5.607 10.477 -0.392 180 HA LYS 24 HA LYS 24 3.767 11.411 1.473 181 HB2 LYS 24 HB2 LYS 24 3.729 12.182 -1.440 182 HB3 LYS 24 HB1 LYS 24 3.254 13.160 -0.062 183 HG2 LYS 24 HG2 LYS 24 5.678 13.002 0.687 184 HG3 LYS 24 HG1 LYS 24 6.015 12.390 -0.931 185 HD2 LYS 24 HD2 LYS 24 4.656 14.513 -1.667 186 HD3 LYS 24 HD1 LYS 24 5.115 15.098 -0.070 187 HE2 LYS 24 HE2 LYS 24 6.975 14.180 -2.258 188 HE3 LYS 24 HE1 LYS 24 6.719 15.838 -1.725 189 HZ1 LYS 24 HZ1 LYS 24 7.419 14.680 0.565 190 HZ2 LYS 24 HZ2 LYS 24 8.524 15.403 -0.490 191 HZ3 LYS 24 HZ3 LYS 24 8.300 13.727 -0.523 192 H GLU 25 HN GLU 25 3.267 9.419 -1.365 193 HA GLU 25 HA GLU 25 0.390 9.652 -1.218 194 HB2 GLU 25 HB2 GLU 25 1.717 9.379 -3.360 195 HB3 GLU 25 HB1 GLU 25 1.997 7.711 -2.872 196 HG2 GLU 25 HG2 GLU 25 -0.376 7.271 -2.901 197 HG3 GLU 25 HG1 GLU 25 -0.707 8.957 -3.298 198 H ILE 26 HN ILE 26 2.866 7.255 -0.448 199 HA ILE 26 HA ILE 26 1.165 5.112 0.174 200 HB ILE 26 HB ILE 26 3.841 5.714 1.447 201 HG12 ILE 26 HG12 ILE 26 3.192 4.153 -1.067 202 HG13 ILE 26 HG11 ILE 26 3.979 5.730 -1.010 203 HG21 ILE 26 HG21 ILE 26 2.590 3.019 0.992 204 HG22 ILE 26 HG22 ILE 26 2.343 3.938 2.476 205 HG23 ILE 26 HG23 ILE 26 3.970 3.432 2.013 206 HD11 ILE 26 HD11 ILE 26 5.610 4.002 -1.380 207 HD12 ILE 26 HD12 ILE 26 5.074 3.139 0.062 208 HD13 ILE 26 HD13 ILE 26 5.854 4.715 0.214 209 H GLY 27 HN GLY 27 2.493 7.685 2.235 210 HA2 GLY 27 HA2 GLY 27 1.455 6.775 4.684 211 HA3 GLY 27 HA1 GLY 27 1.866 8.442 4.309 212 H ALA 28 HN ALA 28 0.050 8.857 2.206 213 HA ALA 28 HA ALA 28 -2.259 9.601 3.648 214 HB1 ALA 28 HB1 ALA 28 -1.463 10.812 1.670 215 HB2 ALA 28 HB2 ALA 28 -3.147 10.319 1.497 216 HB3 ALA 28 HB3 ALA 28 -1.877 9.429 0.657 217 H MET 29 HN MET 29 -1.667 6.991 1.305 218 HA MET 29 HA MET 29 -4.304 6.000 1.280 219 HB2 MET 29 HB2 MET 29 -2.667 5.399 -0.443 220 HB3 MET 29 HB1 MET 29 -1.719 4.518 0.751 221 HG2 MET 29 HG2 MET 29 -3.810 3.109 1.127 222 HG3 MET 29 HG1 MET 29 -4.426 3.845 -0.351 223 HE1 MET 29 HE1 MET 29 -0.737 1.095 -0.092 224 HE2 MET 29 HE2 MET 29 -1.728 1.602 1.276 225 HE3 MET 29 HE3 MET 29 -0.668 2.763 0.477 226 H LEU 30 HN LEU 30 -1.494 5.192 3.264 227 HA LEU 30 HA LEU 30 -2.521 2.990 4.624 228 HB2 LEU 30 HB2 LEU 30 -0.284 4.730 4.855 229 HB3 LEU 30 HB1 LEU 30 -1.007 4.590 6.444 230 HG LEU 30 HG LEU 30 -0.872 2.087 6.184 231 HD11 LEU 30 HD11 LEU 30 0.786 2.864 3.793 232 HD12 LEU 30 HD12 LEU 30 -0.701 1.916 3.793 233 HD13 LEU 30 HD13 LEU 30 0.765 1.261 4.522 234 HD21 LEU 30 HD21 LEU 30 1.524 1.992 6.687 235 HD22 LEU 30 HD22 LEU 30 0.723 3.311 7.538 236 HD23 LEU 30 HD23 LEU 30 1.702 3.650 6.112 237 H SER 31 HN SER 31 -2.699 6.431 5.454 238 HA SER 31 HA SER 31 -4.150 6.213 7.827 239 HB2 SER 31 HB2 SER 31 -3.030 8.282 6.985 240 HB3 SER 31 HB1 SER 31 -4.306 8.443 5.781 241 HG SER 31 HG SER 31 -4.885 8.282 8.547 242 H LEU 32 HN LEU 32 -5.264 6.488 4.484 243 HA LEU 32 HA LEU 32 -8.010 6.709 4.992 244 HB2 LEU 32 HB2 LEU 32 -6.539 6.904 2.791 245 HB3 LEU 32 HB1 LEU 32 -7.051 5.243 2.580 246 HG LEU 32 HG LEU 32 -8.426 7.021 1.397 247 HD11 LEU 32 HD11 LEU 32 -9.242 4.756 1.678 248 HD12 LEU 32 HD12 LEU 32 -10.558 5.914 1.875 249 HD13 LEU 32 HD13 LEU 32 -9.834 5.149 3.291 250 HD21 LEU 32 HD21 LEU 32 -9.976 8.325 2.605 251 HD22 LEU 32 HD22 LEU 32 -8.426 8.549 3.418 252 HD23 LEU 32 HD23 LEU 32 -9.637 7.470 4.109 253 H LEU 33 HN LEU 33 -6.030 3.839 4.320 254 HA LEU 33 HA LEU 33 -8.171 1.998 4.457 255 HB2 LEU 33 HB2 LEU 33 -5.241 1.482 4.958 256 HB3 LEU 33 HB1 LEU 33 -6.456 0.278 4.568 257 HG LEU 33 HG LEU 33 -5.518 2.490 2.734 258 HD11 LEU 33 HD11 LEU 33 -4.526 0.667 1.440 259 HD12 LEU 33 HD12 LEU 33 -5.016 -0.483 2.682 260 HD13 LEU 33 HD13 LEU 33 -3.832 0.770 3.057 261 HD21 LEU 33 HD21 LEU 33 -7.485 0.244 2.294 262 HD22 LEU 33 HD22 LEU 33 -6.844 1.288 1.026 263 HD23 LEU 33 HD23 LEU 33 -7.840 1.971 2.310 264 H GLN 34 HN GLN 34 -5.936 3.240 6.891 265 HA GLN 34 HA GLN 34 -6.755 1.417 8.917 266 HB2 GLN 34 HB2 GLN 34 -5.334 4.074 9.081 267 HB3 GLN 34 HB1 GLN 34 -5.612 3.026 10.467 268 HG2 GLN 34 HG2 GLN 34 -4.406 1.231 9.056 269 HG3 GLN 34 HG1 GLN 34 -3.837 2.595 8.097 270 HE21 GLN 34 HE21 GLN 34 -2.268 0.767 9.634 271 HE22 GLN 34 HE22 GLN 34 -1.449 1.688 10.845 272 H LYS 35 HN LYS 35 -7.730 4.736 8.084 273 HA LYS 35 HA LYS 35 -9.441 5.052 10.325 274 HB2 LYS 35 HB2 LYS 35 -10.081 7.090 9.413 275 HB3 LYS 35 HB1 LYS 35 -8.468 6.863 8.753 276 HG2 LYS 35 HG2 LYS 35 -9.284 7.134 6.719 277 HG3 LYS 35 HG1 LYS 35 -10.293 5.701 6.932 278 HD2 LYS 35 HD2 LYS 35 -11.982 7.159 8.057 279 HD3 LYS 35 HD1 LYS 35 -10.996 8.552 7.612 280 HE2 LYS 35 HE2 LYS 35 -11.256 8.009 5.258 281 HE3 LYS 35 HE1 LYS 35 -12.183 6.570 5.674 282 HZ1 LYS 35 HZ1 LYS 35 -13.910 7.932 6.575 283 HZ2 LYS 35 HZ2 LYS 35 -13.567 8.485 5.013 284 HZ3 LYS 35 HZ3 LYS 35 -13.000 9.339 6.361 285 H GLU 36 HN GLU 36 -9.850 3.524 7.235 286 HA GLU 36 HA GLU 36 -12.718 3.448 7.345 287 HB2 GLU 36 HB2 GLU 36 -10.628 2.229 5.582 288 HB3 GLU 36 HB1 GLU 36 -12.269 1.604 5.529 289 HG2 GLU 36 HG2 GLU 36 -11.523 4.484 5.081 290 HG3 GLU 36 HG1 GLU 36 -11.794 3.303 3.802 291 H GLY 37 HN GLY 37 -10.261 1.752 8.909 292 HA2 GLY 37 HA2 GLY 37 -10.625 0.157 10.598 293 HA3 GLY 37 HA1 GLY 37 -12.208 -0.175 9.913 294 H LEU 38 HN LEU 38 -9.960 -0.116 7.454 295 HA LEU 38 HA LEU 38 -10.138 -2.950 7.093 296 HB2 LEU 38 HB2 LEU 38 -8.818 -0.720 5.591 297 HB3 LEU 38 HB1 LEU 38 -8.464 -2.386 5.186 298 HG LEU 38 HG LEU 38 -11.255 -1.248 5.196 299 HD11 LEU 38 HD11 LEU 38 -9.900 -0.055 3.562 300 HD12 LEU 38 HD12 LEU 38 -11.048 -1.129 2.763 301 HD13 LEU 38 HD13 LEU 38 -9.351 -1.587 2.885 302 HD21 LEU 38 HD21 LEU 38 -11.716 -3.228 3.777 303 HD22 LEU 38 HD22 LEU 38 -11.205 -3.648 5.412 304 HD23 LEU 38 HD23 LEU 38 -10.068 -3.783 4.074 305 H LEU 39 HN LEU 39 -7.669 -0.690 8.108 306 HA LEU 39 HA LEU 39 -5.936 -2.971 8.782 307 HB2 LEU 39 HB2 LEU 39 -5.157 -0.158 8.017 308 HB3 LEU 39 HB1 LEU 39 -4.032 -1.379 8.582 309 HG LEU 39 HG LEU 39 -5.677 -1.570 6.055 310 HD11 LEU 39 HD11 LEU 39 -3.734 -1.021 4.837 311 HD12 LEU 39 HD12 LEU 39 -2.714 -1.131 6.270 312 HD13 LEU 39 HD13 LEU 39 -3.862 0.196 6.109 313 HD21 LEU 39 HD21 LEU 39 -5.121 -3.746 7.055 314 HD22 LEU 39 HD22 LEU 39 -3.417 -3.293 7.061 315 HD23 LEU 39 HD23 LEU 39 -4.273 -3.483 5.533 316 H MET 40 HN MET 40 -4.990 -2.991 10.801 317 HA MET 40 HA MET 40 -6.156 -1.076 12.705 318 HB2 MET 40 HB2 MET 40 -6.706 -3.443 13.086 319 HB3 MET 40 HB1 MET 40 -4.993 -3.826 13.187 320 HG2 MET 40 HG2 MET 40 -4.787 -2.447 15.179 321 HG3 MET 40 HG1 MET 40 -6.492 -2.013 15.069 322 HE1 MET 40 HE1 MET 40 -3.889 -4.816 15.785 323 HE2 MET 40 HE2 MET 40 -4.768 -5.524 14.431 324 HE3 MET 40 HE3 MET 40 -4.904 -6.234 16.039 325 H SER 41 HN SER 41 -3.180 -2.897 12.073 326 HA SER 41 HA SER 41 -1.686 -0.771 13.464 327 HB2 SER 41 HB2 SER 41 -0.741 -3.594 12.929 328 HB3 SER 41 HB1 SER 41 -0.024 -2.408 14.021 329 HG SER 41 HG SER 41 -2.235 -4.051 14.368 330 HA PRO 42 HA PRO 42 0.310 0.482 9.733 331 HB2 PRO 42 HB2 PRO 42 2.958 0.583 10.605 332 HB3 PRO 42 HB1 PRO 42 1.765 1.880 10.796 333 HG2 PRO 42 HG2 PRO 42 2.655 -0.166 12.751 334 HG3 PRO 42 HG1 PRO 42 2.240 1.542 13.004 335 HD2 PRO 42 HD2 PRO 42 0.545 -0.413 13.689 336 HD3 PRO 42 HD1 PRO 42 -0.039 1.125 13.018 337 H SER 43 HN SER 43 1.700 -2.232 11.490 338 HA SER 43 HA SER 43 3.037 -3.237 9.110 339 HB2 SER 43 HB2 SER 43 2.965 -4.823 11.617 340 HB3 SER 43 HB1 SER 43 4.320 -4.475 10.541 341 HG SER 43 HG SER 43 4.728 -3.273 12.315 342 H ASP 44 HN ASP 44 0.061 -3.186 9.237 343 HA ASP 44 HA ASP 44 -0.705 -5.957 9.548 344 HB2 ASP 44 HB2 ASP 44 -2.092 -3.427 9.383 345 HB3 ASP 44 HB1 ASP 44 -2.814 -4.608 8.295 346 H LEU 45 HN LEU 45 0.601 -4.106 7.040 347 HA LEU 45 HA LEU 45 -0.748 -5.423 4.868 348 HB2 LEU 45 HB2 LEU 45 1.830 -3.862 4.798 349 HB3 LEU 45 HB1 LEU 45 0.833 -4.291 3.428 350 HG LEU 45 HG LEU 45 -0.146 -2.511 5.653 351 HD11 LEU 45 HD11 LEU 45 1.711 -1.351 4.750 352 HD12 LEU 45 HD12 LEU 45 0.279 -0.671 3.983 353 HD13 LEU 45 HD13 LEU 45 1.292 -1.814 3.101 354 HD21 LEU 45 HD21 LEU 45 -1.722 -1.795 3.841 355 HD22 LEU 45 HD22 LEU 45 -1.926 -3.461 4.387 356 HD23 LEU 45 HD23 LEU 45 -1.104 -3.129 2.865 357 H TYR 46 HN TYR 46 1.654 -6.336 7.012 358 HA TYR 46 HA TYR 46 3.329 -7.880 5.316 359 HB2 TYR 46 HB2 TYR 46 2.885 -7.654 8.257 360 HB3 TYR 46 HB1 TYR 46 3.699 -9.096 7.666 361 HD1 TYR 46 HD1 TYR 46 5.816 -8.821 6.322 362 HD2 TYR 46 HD2 TYR 46 4.024 -5.611 8.458 363 HE1 TYR 46 HE1 TYR 46 7.949 -7.589 6.245 364 HE2 TYR 46 HE2 TYR 46 6.149 -4.369 8.385 365 HH TYR 46 HH TYR 46 8.455 -4.673 8.064 366 H SER 47 HN SER 47 0.218 -8.410 6.701 367 HA SER 47 HA SER 47 0.335 -11.295 6.373 368 HB2 SER 47 HB2 SER 47 -1.997 -9.556 7.221 369 HB3 SER 47 HB1 SER 47 -1.879 -11.309 7.375 370 HG SER 47 HG SER 47 -1.061 -9.459 9.097 371 HA PRO 48 HA PRO 48 -1.062 -10.654 2.103 372 HB2 PRO 48 HB2 PRO 48 -0.746 -13.579 1.981 373 HB3 PRO 48 HB1 PRO 48 0.035 -12.320 1.008 374 HG2 PRO 48 HG2 PRO 48 1.387 -13.721 2.828 375 HG3 PRO 48 HG1 PRO 48 1.736 -12.014 2.497 376 HD2 PRO 48 HD2 PRO 48 0.232 -13.220 4.776 377 HD3 PRO 48 HD1 PRO 48 1.380 -11.867 4.771 378 H GLY 49 HN GLY 49 -2.305 -12.799 4.544 379 HA2 GLY 49 HA2 GLY 49 -4.574 -13.699 3.039 380 HA3 GLY 49 HA1 GLY 49 -4.322 -13.898 4.764 381 H SER 50 HN SER 50 -3.904 -10.697 4.228 382 HA SER 50 HA SER 50 -6.764 -10.132 4.665 383 HB2 SER 50 HB2 SER 50 -4.451 -8.535 5.787 384 HB3 SER 50 HB1 SER 50 -6.158 -8.395 6.206 385 HG SER 50 HG SER 50 -4.857 -9.611 7.730 386 H TRP 51 HN TRP 51 -4.960 -10.094 2.192 387 HA TRP 51 HA TRP 51 -4.928 -7.269 1.498 388 HB2 TRP 51 HB2 TRP 51 -4.060 -9.752 0.019 389 HB3 TRP 51 HB1 TRP 51 -4.037 -8.152 -0.710 390 HD1 TRP 51 HD1 TRP 51 -3.004 -7.042 2.400 391 HE1 TRP 51 HE1 TRP 51 -0.458 -7.180 2.788 392 HE3 TRP 51 HE3 TRP 51 -1.794 -10.353 -1.303 393 HZ2 TRP 51 HZ2 TRP 51 1.761 -8.496 1.658 394 HZ3 TRP 51 HZ3 TRP 51 0.565 -10.997 -1.586 395 HH2 TRP 51 HH2 TRP 51 2.305 -10.086 -0.134 396 H ASP 52 HN ASP 52 -6.810 -10.131 0.832 397 HA ASP 52 HA ASP 52 -8.152 -9.313 -1.467 398 HB2 ASP 52 HB2 ASP 52 -8.827 -11.239 0.709 399 HB3 ASP 52 HB1 ASP 52 -10.050 -10.836 -0.490 400 HA PRO 53 HA PRO 53 -11.785 -7.614 1.409 401 HB2 PRO 53 HB2 PRO 53 -10.668 -6.537 3.749 402 HB3 PRO 53 HB1 PRO 53 -11.633 -8.019 3.644 403 HG2 PRO 53 HG2 PRO 53 -8.690 -7.694 3.757 404 HG3 PRO 53 HG1 PRO 53 -9.723 -8.958 4.455 405 HD2 PRO 53 HD2 PRO 53 -8.274 -9.426 2.266 406 HD3 PRO 53 HD1 PRO 53 -9.905 -10.104 2.450 407 H ILE 54 HN ILE 54 -8.528 -6.253 1.795 408 HA ILE 54 HA ILE 54 -9.326 -3.544 1.675 409 HB ILE 54 HB ILE 54 -6.624 -4.679 0.934 410 HG12 ILE 54 HG12 ILE 54 -7.589 -3.710 3.635 411 HG13 ILE 54 HG11 ILE 54 -7.461 -5.407 3.186 412 HG21 ILE 54 HG21 ILE 54 -7.367 -1.953 1.990 413 HG22 ILE 54 HG22 ILE 54 -7.057 -2.317 0.293 414 HG23 ILE 54 HG23 ILE 54 -5.767 -2.494 1.481 415 HD11 ILE 54 HD11 ILE 54 -5.557 -4.717 4.503 416 HD12 ILE 54 HD12 ILE 54 -5.192 -3.440 3.343 417 HD13 ILE 54 HD13 ILE 54 -5.056 -5.132 2.864 418 H THR 55 HN THR 55 -7.983 -5.731 -0.796 419 HA THR 55 HA THR 55 -7.986 -3.895 -2.916 420 HB THR 55 HB THR 55 -8.413 -6.878 -3.183 421 HG1 THR 55 HG1 THR 55 -6.584 -6.754 -1.991 422 HG21 THR 55 HG21 THR 55 -7.199 -6.579 -5.301 423 HG22 THR 55 HG22 THR 55 -7.116 -4.842 -5.002 424 HG23 THR 55 HG23 THR 55 -8.677 -5.617 -5.261 425 H ALA 56 HN ALA 56 -10.463 -6.179 -1.794 426 HA ALA 56 HA ALA 56 -12.322 -5.766 -3.853 427 HB1 ALA 56 HB1 ALA 56 -12.957 -6.446 -0.992 428 HB2 ALA 56 HB2 ALA 56 -12.378 -7.608 -2.187 429 HB3 ALA 56 HB3 ALA 56 -13.929 -6.802 -2.420 430 H ALA 57 HN ALA 57 -12.040 -4.220 -0.665 431 HA ALA 57 HA ALA 57 -14.248 -2.493 -0.957 432 HB1 ALA 57 HB1 ALA 57 -13.251 -2.994 1.220 433 HB2 ALA 57 HB2 ALA 57 -13.293 -1.254 0.928 434 HB3 ALA 57 HB3 ALA 57 -11.782 -2.142 0.744 435 H LEU 58 HN LEU 58 -10.813 -2.086 -1.690 436 HA LEU 58 HA LEU 58 -10.926 0.641 -2.372 437 HB2 LEU 58 HB2 LEU 58 -9.042 -1.590 -2.984 438 HB3 LEU 58 HB1 LEU 58 -8.868 -0.066 -3.833 439 HG LEU 58 HG LEU 58 -8.910 -0.256 -0.834 440 HD11 LEU 58 HD11 LEU 58 -7.057 -1.587 -1.721 441 HD12 LEU 58 HD12 LEU 58 -6.497 -0.142 -0.880 442 HD13 LEU 58 HD13 LEU 58 -6.509 -0.188 -2.642 443 HD21 LEU 58 HD21 LEU 58 -7.943 1.946 -0.914 444 HD22 LEU 58 HD22 LEU 58 -9.426 1.936 -1.868 445 HD23 LEU 58 HD23 LEU 58 -7.859 1.885 -2.674 446 H SER 59 HN SER 59 -11.196 -2.273 -4.385 447 HA SER 59 HA SER 59 -11.522 -0.886 -6.825 448 HB2 SER 59 HB2 SER 59 -12.583 -3.630 -6.111 449 HB3 SER 59 HB1 SER 59 -12.256 -3.012 -7.729 450 HG SER 59 HG SER 59 -10.435 -3.734 -5.696 451 H GLN 60 HN GLN 60 -13.717 -1.820 -4.284 452 HA GLN 60 HA GLN 60 -16.148 -1.422 -5.660 453 HB2 GLN 60 HB2 GLN 60 -15.824 -2.632 -3.457 454 HB3 GLN 60 HB1 GLN 60 -15.697 -1.053 -2.696 455 HG2 GLN 60 HG2 GLN 60 -17.969 -0.551 -3.701 456 HG3 GLN 60 HG1 GLN 60 -18.070 -2.272 -4.067 457 HE21 GLN 60 HE21 GLN 60 -16.566 -0.851 -1.231 458 HE22 GLN 60 HE22 GLN 60 -17.674 -1.511 -0.082 459 H ARG 61 HN ARG 61 -14.473 0.684 -3.295 460 HA ARG 61 HA ARG 61 -16.187 2.886 -3.708 461 HB2 ARG 61 HB2 ARG 61 -14.528 4.216 -2.508 462 HB3 ARG 61 HB1 ARG 61 -14.818 2.686 -1.699 463 HG2 ARG 61 HG2 ARG 61 -12.742 1.805 -2.721 464 HG3 ARG 61 HG1 ARG 61 -12.438 3.408 -3.394 465 HD2 ARG 61 HD2 ARG 61 -12.905 3.024 -0.460 466 HD3 ARG 61 HD1 ARG 61 -11.312 2.763 -1.163 467 HE ARG 61 HE ARG 61 -11.220 5.076 -1.746 468 HH11 ARG 61 HH11 ARG 61 -14.273 5.849 0.764 469 HH12 ARG 61 HH12 ARG 61 -13.983 4.219 0.251 470 HH21 ARG 61 HH21 ARG 61 -11.599 7.190 -1.090 471 HH22 ARG 61 HH22 ARG 61 -12.909 7.556 -0.004 472 H ALA 62 HN ALA 62 -13.373 1.786 -5.440 473 HA ALA 62 HA ALA 62 -12.792 4.211 -6.770 474 HB1 ALA 62 HB1 ALA 62 -12.226 1.374 -7.611 475 HB2 ALA 62 HB2 ALA 62 -11.168 2.420 -6.665 476 HB3 ALA 62 HB3 ALA 62 -11.525 2.816 -8.346 477 H MET 63 HN MET 63 -14.842 1.449 -7.608 478 HA MET 63 HA MET 63 -15.586 2.631 -10.141 479 HB2 MET 63 HB2 MET 63 -16.846 0.656 -10.544 480 HB3 MET 63 HB1 MET 63 -15.364 0.146 -9.746 481 HG2 MET 63 HG2 MET 63 -16.532 -0.115 -7.653 482 HG3 MET 63 HG1 MET 63 -18.013 0.516 -8.369 483 HE1 MET 63 HE1 MET 63 -15.298 -2.140 -9.585 484 HE2 MET 63 HE2 MET 63 -16.151 -3.622 -9.154 485 HE3 MET 63 HE3 MET 63 -15.656 -2.491 -7.895 486 H ILE 64 HN ILE 64 -16.764 2.696 -6.909 487 HA ILE 64 HA ILE 64 -19.434 3.496 -7.700 488 HB ILE 64 HB ILE 64 -18.118 3.142 -5.013 489 HG12 ILE 64 HG12 ILE 64 -20.433 1.747 -6.375 490 HG13 ILE 64 HG11 ILE 64 -18.805 1.105 -6.189 491 HG21 ILE 64 HG21 ILE 64 -20.361 3.608 -4.030 492 HG22 ILE 64 HG22 ILE 64 -20.868 4.218 -5.604 493 HG23 ILE 64 HG23 ILE 64 -19.567 5.020 -4.725 494 HD11 ILE 64 HD11 ILE 64 -20.807 1.648 -4.013 495 HD12 ILE 64 HD12 ILE 64 -19.128 1.191 -3.724 496 HD13 ILE 64 HD13 ILE 64 -20.212 0.081 -4.564 497 H LEU 65 HN LEU 65 -16.747 4.986 -5.878 498 HA LEU 65 HA LEU 65 -18.021 7.559 -5.902 499 HB2 LEU 65 HB2 LEU 65 -16.181 6.432 -4.281 500 HB3 LEU 65 HB1 LEU 65 -15.126 7.370 -5.319 501 HG LEU 65 HG LEU 65 -16.397 9.411 -4.733 502 HD11 LEU 65 HD11 LEU 65 -17.896 9.251 -2.723 503 HD12 LEU 65 HD12 LEU 65 -17.892 7.503 -2.943 504 HD13 LEU 65 HD13 LEU 65 -18.552 8.550 -4.200 505 HD21 LEU 65 HD21 LEU 65 -14.373 8.809 -3.507 506 HD22 LEU 65 HD22 LEU 65 -15.336 7.858 -2.376 507 HD23 LEU 65 HD23 LEU 65 -15.543 9.607 -2.458 508 H GLY 66 HN GLY 66 -15.618 5.916 -7.830 509 HA2 GLY 66 HA2 GLY 66 -15.173 6.500 -10.074 510 HA3 GLY 66 HA1 GLY 66 -15.748 8.125 -9.742 511 H LYS 67 HN LYS 67 -13.541 6.743 -7.488 512 HA LYS 67 HA LYS 67 -11.306 8.162 -8.754 513 HB2 LYS 67 HB2 LYS 67 -10.577 8.937 -6.509 514 HB3 LYS 67 HB1 LYS 67 -12.085 9.653 -7.044 515 HG2 LYS 67 HG2 LYS 67 -13.328 8.574 -5.458 516 HG3 LYS 67 HG1 LYS 67 -12.196 7.227 -5.327 517 HD2 LYS 67 HD2 LYS 67 -12.111 8.592 -3.319 518 HD3 LYS 67 HD1 LYS 67 -10.588 8.710 -4.201 519 HE2 LYS 67 HE2 LYS 67 -11.771 10.799 -5.287 520 HE3 LYS 67 HE1 LYS 67 -12.728 10.743 -3.807 521 HZ1 LYS 67 HZ1 LYS 67 -10.733 12.181 -3.686 522 HZ2 LYS 67 HZ2 LYS 67 -9.762 10.808 -3.851 523 HZ3 LYS 67 HZ3 LYS 67 -10.770 10.975 -2.504 524 H SER 68 HN SER 68 -9.413 7.086 -8.751 525 HA SER 68 HA SER 68 -9.291 4.620 -7.147 526 HB2 SER 68 HB2 SER 68 -7.900 4.858 -9.799 527 HB3 SER 68 HB1 SER 68 -8.424 3.408 -8.943 528 HG SER 68 HG SER 68 -10.038 5.306 -10.300 529 H GLY 69 HN GLY 69 -8.259 7.320 -6.555 530 HA2 GLY 69 HA2 GLY 69 -5.482 7.487 -7.003 531 HA3 GLY 69 HA1 GLY 69 -6.355 8.281 -5.697 532 H GLU 70 HN GLU 70 -7.315 6.253 -4.240 533 HA GLU 70 HA GLU 70 -5.059 5.371 -2.772 534 HB2 GLU 70 HB2 GLU 70 -7.840 4.209 -2.577 535 HB3 GLU 70 HB1 GLU 70 -6.624 4.308 -1.315 536 HG2 GLU 70 HG2 GLU 70 -7.968 6.012 -0.659 537 HG3 GLU 70 HG1 GLU 70 -6.907 6.904 -1.746 538 H LEU 71 HN LEU 71 -7.029 3.931 -5.258 539 HA LEU 71 HA LEU 71 -6.220 1.237 -4.911 540 HB2 LEU 71 HB2 LEU 71 -8.028 2.613 -6.509 541 HB3 LEU 71 HB1 LEU 71 -6.865 1.976 -7.652 542 HG LEU 71 HG LEU 71 -8.603 0.417 -5.745 543 HD11 LEU 71 HD11 LEU 71 -9.704 1.116 -7.777 544 HD12 LEU 71 HD12 LEU 71 -9.410 -0.620 -7.820 545 HD13 LEU 71 HD13 LEU 71 -8.382 0.469 -8.750 546 HD21 LEU 71 HD21 LEU 71 -6.466 -0.660 -5.690 547 HD22 LEU 71 HD22 LEU 71 -6.309 -0.545 -7.443 548 HD23 LEU 71 HD23 LEU 71 -7.529 -1.603 -6.734 549 H LYS 72 HN LYS 72 -4.953 3.933 -6.788 550 HA LYS 72 HA LYS 72 -3.114 2.547 -8.382 551 HB2 LYS 72 HB2 LYS 72 -3.458 5.344 -7.469 552 HB3 LYS 72 HB1 LYS 72 -1.848 4.903 -8.024 553 HG2 LYS 72 HG2 LYS 72 -2.864 4.100 -10.144 554 HG3 LYS 72 HG1 LYS 72 -4.418 4.719 -9.578 555 HD2 LYS 72 HD2 LYS 72 -1.962 6.447 -9.772 556 HD3 LYS 72 HD1 LYS 72 -3.070 6.226 -11.127 557 HE2 LYS 72 HE2 LYS 72 -4.877 7.179 -9.898 558 HE3 LYS 72 HE1 LYS 72 -3.938 7.182 -8.409 559 HZ1 LYS 72 HZ1 LYS 72 -4.041 9.379 -9.369 560 HZ2 LYS 72 HZ2 LYS 72 -3.382 8.820 -10.822 561 HZ3 LYS 72 HZ3 LYS 72 -2.449 8.811 -9.412 562 H THR 73 HN THR 73 -2.677 4.121 -5.237 563 HA THR 73 HA THR 73 0.018 3.462 -4.867 564 HB THR 73 HB THR 73 -1.815 3.616 -2.516 565 HG1 THR 73 HG1 THR 73 -1.204 5.818 -4.248 566 HG21 THR 73 HG21 THR 73 0.819 4.927 -3.212 567 HG22 THR 73 HG22 THR 73 0.599 3.520 -2.169 568 HG23 THR 73 HG23 THR 73 -0.031 5.093 -1.678 569 H TRP 74 HN TRP 74 -2.944 1.816 -3.839 570 HA TRP 74 HA TRP 74 -1.796 -0.275 -2.398 571 HB2 TRP 74 HB2 TRP 74 -4.178 0.193 -2.310 572 HB3 TRP 74 HB1 TRP 74 -4.351 -0.221 -4.012 573 HD1 TRP 74 HD1 TRP 74 -5.004 -2.658 -4.524 574 HE1 TRP 74 HE1 TRP 74 -5.131 -4.847 -3.168 575 HE3 TRP 74 HE3 TRP 74 -2.870 -1.038 -0.172 576 HZ2 TRP 74 HZ2 TRP 74 -4.420 -5.755 -0.597 577 HZ3 TRP 74 HZ3 TRP 74 -2.640 -2.626 1.689 578 HH2 TRP 74 HH2 TRP 74 -3.399 -4.937 1.483 579 H GLY 75 HN GLY 75 -2.824 -0.215 -5.813 580 HA2 GLY 75 HA2 GLY 75 -2.070 -2.813 -6.480 581 HA3 GLY 75 HA1 GLY 75 -2.155 -1.478 -7.615 582 H LEU 76 HN LEU 76 -0.124 0.139 -6.529 583 HA LEU 76 HA LEU 76 2.143 -0.994 -7.765 584 HB2 LEU 76 HB2 LEU 76 1.748 1.403 -5.999 585 HB3 LEU 76 HB1 LEU 76 3.330 0.960 -6.602 586 HG LEU 76 HG LEU 76 0.983 1.494 -8.413 587 HD11 LEU 76 HD11 LEU 76 1.480 3.497 -7.084 588 HD12 LEU 76 HD12 LEU 76 1.896 3.708 -8.785 589 HD13 LEU 76 HD13 LEU 76 3.165 3.407 -7.600 590 HD21 LEU 76 HD21 LEU 76 3.955 1.298 -8.866 591 HD22 LEU 76 HD22 LEU 76 2.791 1.838 -10.077 592 HD23 LEU 76 HD23 LEU 76 2.712 0.191 -9.449 593 H VAL 77 HN VAL 77 1.399 -0.432 -4.322 594 HA VAL 77 HA VAL 77 3.808 -1.621 -3.385 595 HB VAL 77 HB VAL 77 1.207 -1.223 -1.893 596 HG11 VAL 77 HG11 VAL 77 2.613 -2.795 -0.739 597 HG12 VAL 77 HG12 VAL 77 2.683 -1.252 0.111 598 HG13 VAL 77 HG13 VAL 77 4.019 -1.746 -0.929 599 HG21 VAL 77 HG21 VAL 77 3.635 0.568 -2.061 600 HG22 VAL 77 HG22 VAL 77 2.213 0.840 -1.054 601 HG23 VAL 77 HG23 VAL 77 2.066 0.877 -2.810 602 H LEU 78 HN LEU 78 0.515 -2.812 -3.863 603 HA LEU 78 HA LEU 78 0.811 -5.327 -2.677 604 HB2 LEU 78 HB2 LEU 78 -1.340 -4.322 -3.390 605 HB3 LEU 78 HB1 LEU 78 -0.895 -4.608 -5.060 606 HG LEU 78 HG LEU 78 -0.871 -7.044 -4.617 607 HD11 LEU 78 HD11 LEU 78 -1.857 -6.208 -1.896 608 HD12 LEU 78 HD12 LEU 78 -0.360 -7.064 -2.268 609 HD13 LEU 78 HD13 LEU 78 -1.914 -7.854 -2.528 610 HD21 LEU 78 HD21 LEU 78 -3.298 -7.306 -4.436 611 HD22 LEU 78 HD22 LEU 78 -2.862 -5.989 -5.524 612 HD23 LEU 78 HD23 LEU 78 -3.435 -5.633 -3.894 613 H GLY 79 HN GLY 79 1.521 -4.224 -5.955 614 HA2 GLY 79 HA2 GLY 79 2.141 -6.738 -7.064 615 HA3 GLY 79 HA1 GLY 79 2.736 -5.187 -7.648 616 H ALA 80 HN ALA 80 4.087 -4.410 -5.278 617 HA ALA 80 HA ALA 80 6.552 -5.813 -5.660 618 HB1 ALA 80 HB1 ALA 80 5.772 -3.653 -3.707 619 HB2 ALA 80 HB2 ALA 80 6.595 -3.443 -5.251 620 HB3 ALA 80 HB3 ALA 80 7.410 -4.270 -3.925 621 H LEU 81 HN LEU 81 4.171 -5.580 -3.050 622 HA LEU 81 HA LEU 81 5.546 -7.174 -1.186 623 HB2 LEU 81 HB2 LEU 81 2.862 -6.061 -1.479 624 HB3 LEU 81 HB1 LEU 81 2.889 -7.589 -0.618 625 HG LEU 81 HG LEU 81 4.570 -5.199 0.145 626 HD11 LEU 81 HD11 LEU 81 1.918 -6.145 1.213 627 HD12 LEU 81 HD12 LEU 81 2.282 -4.591 0.467 628 HD13 LEU 81 HD13 LEU 81 2.967 -4.996 2.041 629 HD21 LEU 81 HD21 LEU 81 3.986 -7.819 1.520 630 HD22 LEU 81 HD22 LEU 81 4.807 -6.454 2.274 631 HD23 LEU 81 HD23 LEU 81 5.539 -7.269 0.891 632 H LYS 82 HN LYS 82 3.120 -8.024 -3.645 633 HA LYS 82 HA LYS 82 2.877 -10.739 -2.964 634 HB2 LYS 82 HB2 LYS 82 2.371 -9.151 -5.448 635 HB3 LYS 82 HB1 LYS 82 2.365 -10.907 -5.556 636 HG2 LYS 82 HG2 LYS 82 0.663 -10.924 -3.717 637 HG3 LYS 82 HG1 LYS 82 0.580 -9.168 -3.874 638 HD2 LYS 82 HD2 LYS 82 -0.130 -9.378 -6.184 639 HD3 LYS 82 HD1 LYS 82 0.046 -11.132 -6.103 640 HE2 LYS 82 HE2 LYS 82 -1.696 -11.185 -4.344 641 HE3 LYS 82 HE1 LYS 82 -1.904 -9.445 -4.533 642 HZ1 LYS 82 HZ1 LYS 82 -2.367 -11.478 -6.650 643 HZ2 LYS 82 HZ2 LYS 82 -2.575 -9.808 -6.819 644 HZ3 LYS 82 HZ3 LYS 82 -3.570 -10.678 -5.768 645 H ALA 83 HN ALA 83 5.045 -9.066 -5.197 646 HA ALA 83 HA ALA 83 6.365 -11.342 -6.189 647 HB1 ALA 83 HB1 ALA 83 7.554 -8.585 -5.909 648 HB2 ALA 83 HB2 ALA 83 6.418 -9.044 -7.181 649 HB3 ALA 83 HB3 ALA 83 7.987 -9.836 -7.073 650 H ALA 84 HN ALA 84 6.999 -9.272 -3.402 651 HA ALA 84 HA ALA 84 9.482 -10.499 -2.718 652 HB1 ALA 84 HB1 ALA 84 9.282 -9.240 -0.631 653 HB2 ALA 84 HB2 ALA 84 7.610 -8.838 -1.030 654 HB3 ALA 84 HB3 ALA 84 8.926 -8.224 -2.030 655 H ARG 85 HN ARG 85 6.153 -11.253 -2.118 656 HA ARG 85 HA ARG 85 6.743 -13.027 0.098 657 HB2 ARG 85 HB2 ARG 85 4.264 -12.139 -1.314 658 HB3 ARG 85 HB1 ARG 85 4.219 -13.636 -0.395 659 HG2 ARG 85 HG2 ARG 85 4.936 -10.915 0.679 660 HG3 ARG 85 HG1 ARG 85 3.425 -11.788 0.944 661 HD2 ARG 85 HD2 ARG 85 4.952 -13.652 1.887 662 HD3 ARG 85 HD1 ARG 85 6.162 -12.377 2.008 663 HE ARG 85 HE ARG 85 3.942 -11.342 3.222 664 HH11 ARG 85 HH11 ARG 85 5.586 -14.323 5.356 665 HH12 ARG 85 HH12 ARG 85 5.884 -14.211 3.652 666 HH21 ARG 85 HH21 ARG 85 3.547 -11.473 5.488 667 HH22 ARG 85 HH22 ARG 85 4.267 -12.770 6.396 668 H GLU 86 HN GLU 86 6.318 -13.220 -3.334 669 HA GLU 86 HA GLU 86 5.834 -16.032 -3.432 670 HB2 GLU 86 HB2 GLU 86 6.554 -13.962 -5.485 671 HB3 GLU 86 HB1 GLU 86 6.527 -15.670 -5.901 672 HG2 GLU 86 HG2 GLU 86 4.128 -15.488 -4.748 673 HG3 GLU 86 HG1 GLU 86 4.302 -13.824 -5.300 674 H GLU 87 HN GLU 87 8.666 -14.074 -3.187 675 HA GLU 87 HA GLU 87 10.466 -16.097 -4.162 676 HB2 GLU 87 HB2 GLU 87 10.789 -13.415 -2.874 677 HB3 GLU 87 HB1 GLU 87 12.167 -14.502 -2.983 678 HG2 GLU 87 HG2 GLU 87 11.684 -14.630 -5.468 679 HG3 GLU 87 HG1 GLU 87 10.589 -13.268 -5.218 680 H1 IHP 101 H37 IHP 0 14.868 10.268 1.180 681 H2 IHP 101 H38 IHP 0 13.396 10.784 3.115 682 H3 IHP 101 H39 IHP 0 13.124 12.038 1.057 683 H4 IHP 101 H40 IHP 0 11.017 9.901 0.379 684 H5 IHP 101 H41 IHP 0 13.659 10.640 -0.967 685 H6 IHP 101 H42 IHP 0 12.797 8.135 0.578 Start of MODEL 14 1 H1 SER 1 HT1 SER 1 2.435 6.536 9.154 2 H2 SER 1 HT2 SER 1 1.744 5.464 10.260 3 H3 SER 1 HT3 SER 1 2.661 4.871 8.975 4 HA SER 1 HA SER 1 3.630 6.455 11.267 5 HB2 SER 1 HB2 SER 1 5.055 4.330 11.524 6 HB3 SER 1 HB1 SER 1 3.352 4.223 11.965 7 HG SER 1 HG SER 1 4.098 2.468 10.644 8 H GLU 2 HN GLU 2 6.296 5.331 10.921 9 HA GLU 2 HA GLU 2 7.080 6.783 8.481 10 HB2 GLU 2 HB2 GLU 2 9.264 6.779 10.255 11 HB3 GLU 2 HB1 GLU 2 8.274 8.148 9.769 12 HG2 GLU 2 HG2 GLU 2 8.233 8.190 12.097 13 HG3 GLU 2 HG1 GLU 2 6.696 7.458 11.648 14 H ALA 3 HN ALA 3 8.561 4.518 10.802 15 HA ALA 3 HA ALA 3 10.548 3.529 9.157 16 HB1 ALA 3 HB1 ALA 3 10.305 3.208 11.621 17 HB2 ALA 3 HB2 ALA 3 10.851 1.792 10.726 18 HB3 ALA 3 HB3 ALA 3 9.176 1.899 11.271 19 H VAL 4 HN VAL 4 7.393 1.940 9.753 20 HA VAL 4 HA VAL 4 7.773 -0.264 8.118 21 HB VAL 4 HB VAL 4 5.173 1.193 8.637 22 HG11 VAL 4 HG11 VAL 4 5.024 -0.306 6.691 23 HG12 VAL 4 HG12 VAL 4 4.071 -0.903 8.051 24 HG13 VAL 4 HG13 VAL 4 5.632 -1.632 7.678 25 HG21 VAL 4 HG21 VAL 4 4.852 -0.269 10.468 26 HG22 VAL 4 HG22 VAL 4 6.499 0.341 10.620 27 HG23 VAL 4 HG23 VAL 4 6.217 -1.280 9.991 28 H ILE 5 HN ILE 5 6.578 2.948 7.237 29 HA ILE 5 HA ILE 5 5.891 2.345 4.578 30 HB ILE 5 HB ILE 5 6.716 4.978 5.806 31 HG12 ILE 5 HG12 ILE 5 4.029 3.732 5.197 32 HG13 ILE 5 HG11 ILE 5 4.693 4.085 6.789 33 HG21 ILE 5 HG21 ILE 5 5.528 4.390 3.096 34 HG22 ILE 5 HG22 ILE 5 7.097 5.120 3.434 35 HG23 ILE 5 HG23 ILE 5 5.616 5.998 3.815 36 HD11 ILE 5 HD11 ILE 5 3.944 6.128 4.710 37 HD12 ILE 5 HD12 ILE 5 4.559 6.464 6.329 38 HD13 ILE 5 HD13 ILE 5 2.986 5.693 6.125 39 H LYS 6 HN LYS 6 8.937 3.369 6.056 40 HA LYS 6 HA LYS 6 10.327 3.795 3.619 41 HB2 LYS 6 HB2 LYS 6 11.412 3.076 6.351 42 HB3 LYS 6 HB1 LYS 6 12.371 3.670 5.002 43 HG2 LYS 6 HG2 LYS 6 10.158 5.179 6.380 44 HG3 LYS 6 HG1 LYS 6 11.886 5.425 6.630 45 HD2 LYS 6 HD2 LYS 6 10.627 5.670 3.912 46 HD3 LYS 6 HD1 LYS 6 10.673 7.020 5.041 47 HE2 LYS 6 HE2 LYS 6 13.099 6.899 5.122 48 HE3 LYS 6 HE1 LYS 6 13.081 5.494 4.059 49 HZ1 LYS 6 HZ1 LYS 6 12.205 6.834 2.295 50 HZ2 LYS 6 HZ2 LYS 6 13.598 7.579 2.898 51 HZ3 LYS 6 HZ3 LYS 6 12.070 8.181 3.309 52 H VAL 7 HN VAL 7 9.843 0.973 5.675 53 HA VAL 7 HA VAL 7 11.669 -0.741 4.362 54 HB VAL 7 HB VAL 7 9.082 -1.610 5.668 55 HG11 VAL 7 HG11 VAL 7 11.720 -3.027 5.299 56 HG12 VAL 7 HG12 VAL 7 10.231 -3.347 4.409 57 HG13 VAL 7 HG13 VAL 7 10.309 -3.670 6.140 58 HG21 VAL 7 HG21 VAL 7 10.337 -0.107 7.156 59 HG22 VAL 7 HG22 VAL 7 11.750 -1.151 6.996 60 HG23 VAL 7 HG23 VAL 7 10.286 -1.760 7.764 61 H ILE 8 HN ILE 8 8.243 -0.048 3.874 62 HA ILE 8 HA ILE 8 7.804 -1.848 1.748 63 HB ILE 8 HB ILE 8 6.394 0.744 2.423 64 HG12 ILE 8 HG12 ILE 8 6.318 -0.977 4.206 65 HG13 ILE 8 HG11 ILE 8 4.730 -0.671 3.512 66 HG21 ILE 8 HG21 ILE 8 4.549 -0.058 1.054 67 HG22 ILE 8 HG22 ILE 8 5.477 -1.495 0.623 68 HG23 ILE 8 HG23 ILE 8 6.018 0.096 0.092 69 HD11 ILE 8 HD11 ILE 8 5.028 -3.029 3.878 70 HD12 ILE 8 HD12 ILE 8 6.516 -3.027 2.932 71 HD13 ILE 8 HD13 ILE 8 4.971 -2.710 2.144 72 H SER 9 HN SER 9 8.681 1.578 1.857 73 HA SER 9 HA SER 9 8.679 2.135 -0.868 74 HB2 SER 9 HB2 SER 9 8.950 3.755 1.080 75 HB3 SER 9 HB1 SER 9 10.647 3.289 1.115 76 HG SER 9 HG SER 9 10.057 5.219 -0.158 77 H SER 10 HN SER 10 11.362 0.981 1.182 78 HA SER 10 HA SER 10 13.303 0.872 -0.833 79 HB2 SER 10 HB2 SER 10 13.332 0.464 1.845 80 HB3 SER 10 HB1 SER 10 13.459 -1.199 1.274 81 HG SER 10 HG SER 10 15.130 0.925 0.386 82 H ALA 11 HN ALA 11 10.788 -1.412 0.058 83 HA ALA 11 HA ALA 11 11.815 -3.588 -1.472 84 HB1 ALA 11 HB1 ALA 11 8.983 -3.085 -0.558 85 HB2 ALA 11 HB2 ALA 11 10.229 -3.899 0.385 86 HB3 ALA 11 HB3 ALA 11 9.645 -4.623 -1.112 87 H CYS 12 HN CYS 12 9.586 -0.944 -2.092 88 HA CYS 12 HA CYS 12 8.700 -1.870 -4.621 89 HB2 CYS 12 HB2 CYS 12 8.751 0.972 -3.586 90 HB3 CYS 12 HB1 CYS 12 7.758 0.351 -4.902 91 HG CYS 12 HG CYS 12 7.462 -0.855 -1.720 92 H LYS 13 HN LYS 13 11.403 0.094 -3.556 93 HA LYS 13 HA LYS 13 12.156 1.157 -6.045 94 HB2 LYS 13 HB2 LYS 13 14.010 0.443 -3.768 95 HB3 LYS 13 HB1 LYS 13 14.312 1.608 -5.047 96 HG2 LYS 13 HG2 LYS 13 12.139 1.864 -2.978 97 HG3 LYS 13 HG1 LYS 13 13.718 2.645 -2.887 98 HD2 LYS 13 HD2 LYS 13 13.253 4.048 -4.698 99 HD3 LYS 13 HD1 LYS 13 11.930 3.030 -5.264 100 HE2 LYS 13 HE2 LYS 13 11.052 5.045 -4.257 101 HE3 LYS 13 HE1 LYS 13 10.626 3.639 -3.283 102 HZ1 LYS 13 HZ1 LYS 13 11.392 4.885 -1.615 103 HZ2 LYS 13 HZ2 LYS 13 12.273 5.912 -2.626 104 HZ3 LYS 13 HZ3 LYS 13 12.930 4.430 -2.153 105 H THR 14 HN THR 14 12.736 -1.983 -4.608 106 HA THR 14 HA THR 14 14.693 -2.668 -6.647 107 HB THR 14 HB THR 14 14.263 -4.985 -5.277 108 HG1 THR 14 HG1 THR 14 14.235 -3.155 -3.171 109 HG21 THR 14 HG21 THR 14 16.061 -2.702 -4.439 110 HG22 THR 14 HG22 THR 14 16.426 -3.894 -5.686 111 HG23 THR 14 HG23 THR 14 16.271 -4.399 -4.005 112 H TYR 15 HN TYR 15 11.289 -3.024 -6.160 113 HA TYR 15 HA TYR 15 11.213 -5.187 -8.146 114 HB2 TYR 15 HB2 TYR 15 9.248 -4.278 -6.071 115 HB3 TYR 15 HB1 TYR 15 8.726 -5.262 -7.435 116 HD1 TYR 15 HD1 TYR 15 9.983 -5.331 -4.146 117 HD2 TYR 15 HD2 TYR 15 10.125 -7.457 -7.828 118 HE1 TYR 15 HE1 TYR 15 10.703 -7.355 -2.942 119 HE2 TYR 15 HE2 TYR 15 10.851 -9.484 -6.637 120 HH TYR 15 HH TYR 15 11.565 -10.332 -4.673 121 H CYS 16 HN CYS 16 9.470 -2.142 -7.434 122 HA CYS 16 HA CYS 16 8.524 -2.080 -10.189 123 HB2 CYS 16 HB2 CYS 16 7.997 -0.065 -8.005 124 HB3 CYS 16 HB1 CYS 16 7.086 -0.295 -9.498 125 HG CYS 16 HG CYS 16 6.665 -3.128 -8.438 126 H GLY 17 HN GLY 17 10.915 -0.618 -8.171 127 HA2 GLY 17 HA2 GLY 17 12.714 0.700 -8.730 128 HA3 GLY 17 HA1 GLY 17 12.234 0.554 -10.409 129 H LYS 18 HN LYS 18 11.881 2.452 -11.318 130 HA LYS 18 HA LYS 18 11.266 4.780 -9.707 131 HB2 LYS 18 HB2 LYS 18 11.558 6.035 -11.773 132 HB3 LYS 18 HB1 LYS 18 12.885 4.901 -11.559 133 HG2 LYS 18 HG2 LYS 18 11.021 3.485 -13.035 134 HG3 LYS 18 HG1 LYS 18 10.963 5.113 -13.706 135 HD2 LYS 18 HD2 LYS 18 13.516 3.576 -13.274 136 HD3 LYS 18 HD1 LYS 18 12.617 3.571 -14.792 137 HE2 LYS 18 HE2 LYS 18 12.891 5.977 -14.981 138 HE3 LYS 18 HE1 LYS 18 13.736 6.017 -13.433 139 HZ1 LYS 18 HZ1 LYS 18 15.470 4.635 -14.389 140 HZ2 LYS 18 HZ2 LYS 18 15.282 6.053 -15.283 141 HZ3 LYS 18 HZ3 LYS 18 14.662 4.596 -15.871 142 H THR 19 HN THR 19 9.408 2.386 -10.944 143 HA THR 19 HA THR 19 7.192 4.036 -11.854 144 HB THR 19 HB THR 19 6.782 1.135 -11.378 145 HG1 THR 19 HG1 THR 19 8.762 0.857 -12.240 146 HG21 THR 19 HG21 THR 19 5.658 1.274 -13.528 147 HG22 THR 19 HG22 THR 19 6.262 2.915 -13.762 148 HG23 THR 19 HG23 THR 19 5.101 2.576 -12.477 149 H SER 20 HN SER 20 8.416 3.197 -8.945 150 HA SER 20 HA SER 20 6.057 2.466 -7.511 151 HB2 SER 20 HB2 SER 20 8.512 3.663 -6.254 152 HB3 SER 20 HB1 SER 20 7.431 2.423 -5.613 153 HG SER 20 HG SER 20 9.617 2.182 -7.276 154 HA PRO 21 HA PRO 21 4.694 6.618 -6.664 155 HB2 PRO 21 HB2 PRO 21 2.928 6.135 -4.695 156 HB3 PRO 21 HB1 PRO 21 2.664 5.513 -6.333 157 HG2 PRO 21 HG2 PRO 21 3.508 4.074 -3.898 158 HG3 PRO 21 HG1 PRO 21 2.571 3.503 -5.291 159 HD2 PRO 21 HD2 PRO 21 5.331 3.107 -4.817 160 HD3 PRO 21 HD1 PRO 21 4.433 2.714 -6.292 161 H SER 22 HN SER 22 5.166 8.356 -5.309 162 HA SER 22 HA SER 22 7.289 8.261 -3.549 163 HB2 SER 22 HB2 SER 22 5.128 10.285 -3.119 164 HB3 SER 22 HB1 SER 22 6.877 10.513 -3.199 165 HG SER 22 HG SER 22 6.731 10.815 -5.270 166 H LYS 23 HN LYS 23 7.480 8.144 -1.287 167 HA LYS 23 HA LYS 23 5.656 6.421 -0.014 168 HB2 LYS 23 HB2 LYS 23 7.280 6.219 1.496 169 HB3 LYS 23 HB1 LYS 23 8.209 7.350 0.525 170 HG2 LYS 23 HG2 LYS 23 6.340 8.615 2.391 171 HG3 LYS 23 HG1 LYS 23 7.620 7.668 3.155 172 HD2 LYS 23 HD2 LYS 23 9.291 9.011 2.330 173 HD3 LYS 23 HD1 LYS 23 8.327 9.544 0.953 174 HE2 LYS 23 HE2 LYS 23 6.912 10.850 2.504 175 HE3 LYS 23 HE1 LYS 23 7.977 10.376 3.828 176 HZ1 LYS 23 HZ1 LYS 23 9.747 11.567 2.912 177 HZ2 LYS 23 HZ2 LYS 23 8.418 12.595 2.754 178 HZ3 LYS 23 HZ3 LYS 23 8.986 11.736 1.413 179 H LYS 24 HN LYS 24 5.660 9.825 -0.402 180 HA LYS 24 HA LYS 24 4.098 10.655 1.762 181 HB2 LYS 24 HB2 LYS 24 4.210 11.674 -1.083 182 HB3 LYS 24 HB1 LYS 24 3.340 12.491 0.208 183 HG2 LYS 24 HG2 LYS 24 5.447 12.745 1.445 184 HG3 LYS 24 HG1 LYS 24 6.303 11.973 0.111 185 HD2 LYS 24 HD2 LYS 24 4.612 14.187 -0.745 186 HD3 LYS 24 HD1 LYS 24 5.860 14.670 0.401 187 HE2 LYS 24 HE2 LYS 24 6.466 12.989 -2.010 188 HE3 LYS 24 HE1 LYS 24 6.461 14.749 -2.074 189 HZ1 LYS 24 HZ1 LYS 24 8.675 13.716 -1.674 190 HZ2 LYS 24 HZ2 LYS 24 8.115 13.184 -0.179 191 HZ3 LYS 24 HZ3 LYS 24 8.221 14.842 -0.496 192 H GLU 25 HN GLU 25 3.249 9.159 -1.299 193 HA GLU 25 HA GLU 25 0.434 9.462 -1.058 194 HB2 GLU 25 HB2 GLU 25 1.964 7.374 -2.625 195 HB3 GLU 25 HB1 GLU 25 0.295 7.860 -2.882 196 HG2 GLU 25 HG2 GLU 25 2.713 9.604 -3.271 197 HG3 GLU 25 HG1 GLU 25 1.789 8.817 -4.549 198 H ILE 26 HN ILE 26 2.749 6.943 -0.204 199 HA ILE 26 HA ILE 26 0.911 4.967 0.595 200 HB ILE 26 HB ILE 26 3.709 5.463 1.644 201 HG12 ILE 26 HG12 ILE 26 2.727 3.665 -0.598 202 HG13 ILE 26 HG11 ILE 26 3.618 5.169 -0.805 203 HG21 ILE 26 HG21 ILE 26 2.441 4.000 3.117 204 HG22 ILE 26 HG22 ILE 26 3.671 3.080 2.252 205 HG23 ILE 26 HG23 ILE 26 1.983 2.986 1.751 206 HD11 ILE 26 HD11 ILE 26 4.634 2.663 0.509 207 HD12 ILE 26 HD12 ILE 26 5.533 4.173 0.362 208 HD13 ILE 26 HD13 ILE 26 5.080 3.273 -1.085 209 H GLY 27 HN GLY 27 2.433 7.650 2.320 210 HA2 GLY 27 HA2 GLY 27 1.512 7.058 4.906 211 HA3 GLY 27 HA1 GLY 27 1.928 8.663 4.318 212 H ALA 28 HN ALA 28 -0.001 8.822 2.254 213 HA ALA 28 HA ALA 28 -2.272 9.675 3.749 214 HB1 ALA 28 HB1 ALA 28 -1.585 10.860 1.736 215 HB2 ALA 28 HB2 ALA 28 -3.230 10.252 1.554 216 HB3 ALA 28 HB3 ALA 28 -1.890 9.421 0.764 217 H MET 29 HN MET 29 -1.629 7.001 1.522 218 HA MET 29 HA MET 29 -4.222 5.902 1.511 219 HB2 MET 29 HB2 MET 29 -2.509 5.305 -0.141 220 HB3 MET 29 HB1 MET 29 -1.557 4.524 1.113 221 HG2 MET 29 HG2 MET 29 -3.582 3.025 1.479 222 HG3 MET 29 HG1 MET 29 -4.179 3.663 -0.053 223 HE1 MET 29 HE1 MET 29 -0.443 2.724 1.076 224 HE2 MET 29 HE2 MET 29 -0.416 1.056 0.504 225 HE3 MET 29 HE3 MET 29 -1.534 1.531 1.781 226 H LEU 30 HN LEU 30 -1.460 5.409 3.642 227 HA LEU 30 HA LEU 30 -2.370 3.181 5.053 228 HB2 LEU 30 HB2 LEU 30 -0.143 4.774 5.141 229 HB3 LEU 30 HB1 LEU 30 -0.923 5.167 6.662 230 HG LEU 30 HG LEU 30 -0.940 2.778 7.264 231 HD11 LEU 30 HD11 LEU 30 -1.021 1.768 5.078 232 HD12 LEU 30 HD12 LEU 30 0.421 1.211 5.923 233 HD13 LEU 30 HD13 LEU 30 0.554 2.444 4.667 234 HD21 LEU 30 HD21 LEU 30 1.512 2.537 7.559 235 HD22 LEU 30 HD22 LEU 30 0.887 4.114 8.041 236 HD23 LEU 30 HD23 LEU 30 1.732 3.934 6.504 237 H SER 31 HN SER 31 -2.909 6.639 5.678 238 HA SER 31 HA SER 31 -4.390 6.282 8.045 239 HB2 SER 31 HB2 SER 31 -5.380 8.606 6.943 240 HB3 SER 31 HB1 SER 31 -3.952 8.489 7.971 241 HG SER 31 HG SER 31 -3.883 8.203 5.141 242 H LEU 32 HN LEU 32 -5.294 6.277 4.651 243 HA LEU 32 HA LEU 32 -8.086 6.386 5.004 244 HB2 LEU 32 HB2 LEU 32 -6.760 6.713 2.850 245 HB3 LEU 32 HB1 LEU 32 -6.636 4.970 2.770 246 HG LEU 32 HG LEU 32 -8.458 6.171 1.380 247 HD11 LEU 32 HD11 LEU 32 -8.295 3.762 1.560 248 HD12 LEU 32 HD12 LEU 32 -9.982 4.271 1.630 249 HD13 LEU 32 HD13 LEU 32 -9.142 3.796 3.107 250 HD21 LEU 32 HD21 LEU 32 -10.554 6.560 2.479 251 HD22 LEU 32 HD22 LEU 32 -9.303 7.521 3.269 252 HD23 LEU 32 HD23 LEU 32 -9.887 6.039 4.026 253 H LEU 33 HN LEU 33 -5.820 3.682 4.735 254 HA LEU 33 HA LEU 33 -7.685 1.601 4.810 255 HB2 LEU 33 HB2 LEU 33 -4.871 1.617 5.895 256 HB3 LEU 33 HB1 LEU 33 -5.821 0.184 5.547 257 HG LEU 33 HG LEU 33 -4.872 2.204 3.509 258 HD11 LEU 33 HD11 LEU 33 -3.410 0.394 2.743 259 HD12 LEU 33 HD12 LEU 33 -3.946 -0.604 4.096 260 HD13 LEU 33 HD13 LEU 33 -3.045 0.882 4.398 261 HD21 LEU 33 HD21 LEU 33 -6.406 -0.373 3.211 262 HD22 LEU 33 HD22 LEU 33 -5.650 0.500 1.878 263 HD23 LEU 33 HD23 LEU 33 -6.956 1.250 2.797 264 H GLN 34 HN GLN 34 -6.210 3.466 7.391 265 HA GLN 34 HA GLN 34 -7.274 1.810 9.480 266 HB2 GLN 34 HB2 GLN 34 -6.045 4.571 9.549 267 HB3 GLN 34 HB1 GLN 34 -6.513 3.658 10.978 268 HG2 GLN 34 HG2 GLN 34 -4.953 1.866 10.266 269 HG3 GLN 34 HG1 GLN 34 -4.411 2.917 8.961 270 HE21 GLN 34 HE21 GLN 34 -2.918 1.796 11.185 271 HE22 GLN 34 HE22 GLN 34 -2.245 3.142 12.045 272 H LYS 35 HN LYS 35 -8.166 4.848 7.922 273 HA LYS 35 HA LYS 35 -10.269 5.558 9.651 274 HB2 LYS 35 HB2 LYS 35 -9.218 7.094 8.021 275 HB3 LYS 35 HB1 LYS 35 -9.965 6.191 6.711 276 HG2 LYS 35 HG2 LYS 35 -12.152 6.840 7.423 277 HG3 LYS 35 HG1 LYS 35 -11.511 7.576 8.891 278 HD2 LYS 35 HD2 LYS 35 -11.877 9.392 7.485 279 HD3 LYS 35 HD1 LYS 35 -10.155 9.065 7.289 280 HE2 LYS 35 HE2 LYS 35 -11.159 9.471 5.131 281 HE3 LYS 35 HE1 LYS 35 -10.656 7.786 5.247 282 HZ1 LYS 35 HZ1 LYS 35 -12.802 7.046 5.287 283 HZ2 LYS 35 HZ2 LYS 35 -12.998 8.431 4.328 284 HZ3 LYS 35 HZ3 LYS 35 -13.411 8.475 5.967 285 H GLU 36 HN GLU 36 -10.161 3.522 6.779 286 HA GLU 36 HA GLU 36 -13.025 3.132 6.781 287 HB2 GLU 36 HB2 GLU 36 -10.824 1.825 5.177 288 HB3 GLU 36 HB1 GLU 36 -12.541 1.528 4.940 289 HG2 GLU 36 HG2 GLU 36 -11.045 4.099 4.509 290 HG3 GLU 36 HG1 GLU 36 -11.833 3.089 3.297 291 H GLY 37 HN GLY 37 -10.737 2.076 8.794 292 HA2 GLY 37 HA2 GLY 37 -10.605 0.368 10.312 293 HA3 GLY 37 HA1 GLY 37 -12.290 0.039 9.938 294 H LEU 38 HN LEU 38 -9.725 -0.091 7.555 295 HA LEU 38 HA LEU 38 -10.418 -2.823 6.948 296 HB2 LEU 38 HB2 LEU 38 -8.439 -0.884 5.763 297 HB3 LEU 38 HB1 LEU 38 -8.566 -2.548 5.221 298 HG LEU 38 HG LEU 38 -10.891 -0.629 5.179 299 HD11 LEU 38 HD11 LEU 38 -8.999 -1.317 2.937 300 HD12 LEU 38 HD12 LEU 38 -9.102 0.238 3.761 301 HD13 LEU 38 HD13 LEU 38 -10.462 -0.344 2.803 302 HD21 LEU 38 HD21 LEU 38 -11.770 -2.254 3.535 303 HD22 LEU 38 HD22 LEU 38 -11.550 -2.944 5.141 304 HD23 LEU 38 HD23 LEU 38 -10.384 -3.295 3.864 305 H LEU 39 HN LEU 39 -7.785 -1.090 8.473 306 HA LEU 39 HA LEU 39 -6.691 -3.657 9.377 307 HB2 LEU 39 HB2 LEU 39 -5.104 -1.358 8.235 308 HB3 LEU 39 HB1 LEU 39 -4.392 -2.675 9.143 309 HG LEU 39 HG LEU 39 -5.863 -2.971 6.526 310 HD11 LEU 39 HD11 LEU 39 -2.921 -3.032 7.172 311 HD12 LEU 39 HD12 LEU 39 -3.765 -1.818 6.211 312 HD13 LEU 39 HD13 LEU 39 -3.628 -3.473 5.618 313 HD21 LEU 39 HD21 LEU 39 -4.801 -5.260 6.612 314 HD22 LEU 39 HD22 LEU 39 -6.123 -4.985 7.745 315 HD23 LEU 39 HD23 LEU 39 -4.454 -4.943 8.310 316 H MET 40 HN MET 40 -5.168 -3.344 11.250 317 HA MET 40 HA MET 40 -6.230 -1.214 12.976 318 HB2 MET 40 HB2 MET 40 -6.591 -3.543 13.745 319 HB3 MET 40 HB1 MET 40 -4.852 -3.781 13.781 320 HG2 MET 40 HG2 MET 40 -4.605 -2.157 15.524 321 HG3 MET 40 HG1 MET 40 -6.303 -1.711 15.406 322 HE1 MET 40 HE1 MET 40 -3.674 -4.122 16.840 323 HE2 MET 40 HE2 MET 40 -4.341 -5.159 15.581 324 HE3 MET 40 HE3 MET 40 -4.605 -5.554 17.278 325 H SER 41 HN SER 41 -3.212 -2.954 12.236 326 HA SER 41 HA SER 41 -1.742 -0.544 13.089 327 HB2 SER 41 HB2 SER 41 -0.651 -3.365 13.104 328 HB3 SER 41 HB1 SER 41 0.037 -1.937 13.872 329 HG SER 41 HG SER 41 -1.806 -3.677 14.822 330 HA PRO 42 HA PRO 42 -0.172 -0.190 8.961 331 HB2 PRO 42 HB2 PRO 42 2.407 0.638 9.497 332 HB3 PRO 42 HB1 PRO 42 0.989 1.702 9.539 333 HG2 PRO 42 HG2 PRO 42 2.410 0.366 11.786 334 HG3 PRO 42 HG1 PRO 42 1.736 2.006 11.688 335 HD2 PRO 42 HD2 PRO 42 0.458 0.045 12.996 336 HD3 PRO 42 HD1 PRO 42 -0.425 1.289 12.083 337 H SER 43 HN SER 43 1.516 -2.086 11.334 338 HA SER 43 HA SER 43 3.344 -3.371 9.581 339 HB2 SER 43 HB2 SER 43 2.832 -5.009 11.837 340 HB3 SER 43 HB1 SER 43 4.182 -3.897 11.598 341 HG SER 43 HG SER 43 3.227 -3.086 13.359 342 H ASP 44 HN ASP 44 0.009 -3.658 9.950 343 HA ASP 44 HA ASP 44 -0.286 -6.467 9.542 344 HB2 ASP 44 HB2 ASP 44 -2.164 -4.128 9.282 345 HB3 ASP 44 HB1 ASP 44 -2.657 -5.762 8.849 346 H LEU 45 HN LEU 45 0.742 -4.009 7.550 347 HA LEU 45 HA LEU 45 -0.402 -4.652 5.060 348 HB2 LEU 45 HB2 LEU 45 1.646 -2.928 6.085 349 HB3 LEU 45 HB1 LEU 45 2.272 -3.762 4.679 350 HG LEU 45 HG LEU 45 1.279 -1.551 4.161 351 HD11 LEU 45 HD11 LEU 45 1.420 -3.332 2.475 352 HD12 LEU 45 HD12 LEU 45 0.039 -2.267 2.219 353 HD13 LEU 45 HD13 LEU 45 -0.198 -3.866 2.925 354 HD21 LEU 45 HD21 LEU 45 -1.078 -1.182 4.277 355 HD22 LEU 45 HD22 LEU 45 -0.533 -1.692 5.874 356 HD23 LEU 45 HD23 LEU 45 -1.364 -2.836 4.822 357 H TYR 46 HN TYR 46 2.053 -6.190 6.938 358 HA TYR 46 HA TYR 46 3.146 -7.683 4.701 359 HB2 TYR 46 HB2 TYR 46 3.712 -7.953 7.658 360 HB3 TYR 46 HB1 TYR 46 4.637 -8.680 6.350 361 HD1 TYR 46 HD1 TYR 46 5.886 -7.147 4.754 362 HD2 TYR 46 HD2 TYR 46 4.174 -5.772 8.402 363 HE1 TYR 46 HE1 TYR 46 7.333 -5.158 4.680 364 HE2 TYR 46 HE2 TYR 46 5.617 -3.783 8.335 365 HH TYR 46 HH TYR 46 7.869 -3.182 7.288 366 H SER 47 HN SER 47 0.289 -7.962 5.993 367 HA SER 47 HA SER 47 0.397 -10.879 6.370 368 HB2 SER 47 HB2 SER 47 -2.056 -9.309 7.022 369 HB3 SER 47 HB1 SER 47 -1.382 -10.730 7.822 370 HG SER 47 HG SER 47 -0.765 -8.028 8.148 371 HA PRO 48 HA PRO 48 -1.316 -10.791 2.170 372 HB2 PRO 48 HB2 PRO 48 -1.258 -13.528 1.886 373 HB3 PRO 48 HB1 PRO 48 0.125 -12.465 1.570 374 HG2 PRO 48 HG2 PRO 48 -0.474 -14.113 3.969 375 HG3 PRO 48 HG1 PRO 48 1.077 -13.818 3.157 376 HD2 PRO 48 HD2 PRO 48 0.397 -12.558 5.431 377 HD3 PRO 48 HD1 PRO 48 1.380 -11.777 4.178 378 H GLY 49 HN GLY 49 -2.463 -12.504 4.979 379 HA2 GLY 49 HA2 GLY 49 -4.853 -13.536 3.836 380 HA3 GLY 49 HA1 GLY 49 -4.519 -13.355 5.550 381 H SER 50 HN SER 50 -4.002 -10.351 4.490 382 HA SER 50 HA SER 50 -6.847 -9.622 4.715 383 HB2 SER 50 HB2 SER 50 -4.471 -8.052 5.735 384 HB3 SER 50 HB1 SER 50 -6.170 -7.614 5.921 385 HG SER 50 HG SER 50 -4.770 -9.785 7.081 386 H TRP 51 HN TRP 51 -4.700 -9.927 2.427 387 HA TRP 51 HA TRP 51 -4.597 -7.280 1.314 388 HB2 TRP 51 HB2 TRP 51 -3.797 -9.996 0.282 389 HB3 TRP 51 HB1 TRP 51 -3.698 -8.551 -0.717 390 HD1 TRP 51 HD1 TRP 51 -2.763 -7.083 2.342 391 HE1 TRP 51 HE1 TRP 51 -0.226 -7.154 2.771 392 HE3 TRP 51 HE3 TRP 51 -1.458 -10.681 -1.053 393 HZ2 TRP 51 HZ2 TRP 51 2.022 -8.545 1.804 394 HZ3 TRP 51 HZ3 TRP 51 0.910 -11.324 -1.233 395 HH2 TRP 51 HH2 TRP 51 2.614 -10.275 0.165 396 H ASP 52 HN ASP 52 -6.531 -10.174 0.796 397 HA ASP 52 HA ASP 52 -7.790 -9.383 -1.581 398 HB2 ASP 52 HB2 ASP 52 -8.476 -11.349 0.561 399 HB3 ASP 52 HB1 ASP 52 -9.685 -10.957 -0.659 400 HA PRO 53 HA PRO 53 -11.542 -7.796 1.183 401 HB2 PRO 53 HB2 PRO 53 -10.589 -6.753 3.597 402 HB3 PRO 53 HB1 PRO 53 -11.484 -8.271 3.408 403 HG2 PRO 53 HG2 PRO 53 -8.563 -7.824 3.667 404 HG3 PRO 53 HG1 PRO 53 -9.573 -9.141 4.300 405 HD2 PRO 53 HD2 PRO 53 -8.009 -9.509 2.167 406 HD3 PRO 53 HD1 PRO 53 -9.613 -10.264 2.273 407 H ILE 54 HN ILE 54 -8.332 -6.348 1.732 408 HA ILE 54 HA ILE 54 -9.198 -3.663 1.652 409 HB ILE 54 HB ILE 54 -6.470 -4.798 1.017 410 HG12 ILE 54 HG12 ILE 54 -7.568 -3.578 3.557 411 HG13 ILE 54 HG11 ILE 54 -7.289 -5.297 3.298 412 HG21 ILE 54 HG21 ILE 54 -5.636 -2.529 1.446 413 HG22 ILE 54 HG22 ILE 54 -7.296 -1.962 1.638 414 HG23 ILE 54 HG23 ILE 54 -6.747 -2.568 0.077 415 HD11 ILE 54 HD11 ILE 54 -5.490 -4.410 4.585 416 HD12 ILE 54 HD12 ILE 54 -5.221 -3.119 3.414 417 HD13 ILE 54 HD13 ILE 54 -4.886 -4.794 2.972 418 H THR 55 HN THR 55 -7.730 -5.733 -0.857 419 HA THR 55 HA THR 55 -7.739 -3.855 -2.922 420 HB THR 55 HB THR 55 -8.101 -6.837 -3.271 421 HG1 THR 55 HG1 THR 55 -6.291 -6.721 -2.059 422 HG21 THR 55 HG21 THR 55 -6.927 -6.488 -5.374 423 HG22 THR 55 HG22 THR 55 -6.747 -4.772 -5.012 424 HG23 THR 55 HG23 THR 55 -8.350 -5.448 -5.302 425 H ALA 56 HN ALA 56 -10.209 -6.199 -1.950 426 HA ALA 56 HA ALA 56 -12.008 -5.687 -4.062 427 HB1 ALA 56 HB1 ALA 56 -12.654 -6.686 -1.292 428 HB2 ALA 56 HB2 ALA 56 -12.079 -7.690 -2.623 429 HB3 ALA 56 HB3 ALA 56 -13.641 -6.878 -2.740 430 H ALA 57 HN ALA 57 -11.573 -4.185 -0.896 431 HA ALA 57 HA ALA 57 -13.971 -2.633 -1.017 432 HB1 ALA 57 HB1 ALA 57 -12.914 -3.229 1.110 433 HB2 ALA 57 HB2 ALA 57 -13.099 -1.482 0.940 434 HB3 ALA 57 HB3 ALA 57 -11.522 -2.232 0.691 435 H LEU 58 HN LEU 58 -10.537 -1.896 -1.561 436 HA LEU 58 HA LEU 58 -10.904 0.832 -2.144 437 HB2 LEU 58 HB2 LEU 58 -8.723 -1.055 -3.018 438 HB3 LEU 58 HB1 LEU 58 -8.671 0.685 -3.230 439 HG LEU 58 HG LEU 58 -8.687 -0.814 -0.609 440 HD11 LEU 58 HD11 LEU 58 -6.471 0.132 -0.324 441 HD12 LEU 58 HD12 LEU 58 -6.599 0.950 -1.880 442 HD13 LEU 58 HD13 LEU 58 -6.549 -0.812 -1.813 443 HD21 LEU 58 HD21 LEU 58 -9.980 1.169 -0.292 444 HD22 LEU 58 HD22 LEU 58 -8.804 2.141 -1.175 445 HD23 LEU 58 HD23 LEU 58 -8.380 1.452 0.393 446 H SER 59 HN SER 59 -10.736 -1.993 -4.306 447 HA SER 59 HA SER 59 -10.945 -0.518 -6.703 448 HB2 SER 59 HB2 SER 59 -11.824 -3.374 -6.211 449 HB3 SER 59 HB1 SER 59 -11.435 -2.645 -7.770 450 HG SER 59 HG SER 59 -9.747 -3.457 -5.698 451 H GLN 60 HN GLN 60 -13.342 -1.713 -4.447 452 HA GLN 60 HA GLN 60 -15.591 -1.368 -6.151 453 HB2 GLN 60 HB2 GLN 60 -15.515 -2.785 -4.060 454 HB3 GLN 60 HB1 GLN 60 -15.587 -1.292 -3.134 455 HG2 GLN 60 HG2 GLN 60 -17.712 -0.781 -4.409 456 HG3 GLN 60 HG1 GLN 60 -17.666 -2.456 -4.954 457 HE21 GLN 60 HE21 GLN 60 -18.160 -0.323 -2.262 458 HE22 GLN 60 HE22 GLN 60 -18.800 -1.514 -1.184 459 H ARG 61 HN ARG 61 -14.384 0.566 -3.400 460 HA ARG 61 HA ARG 61 -16.195 2.679 -3.724 461 HB2 ARG 61 HB2 ARG 61 -14.787 3.949 -2.239 462 HB3 ARG 61 HB1 ARG 61 -14.848 2.288 -1.676 463 HG2 ARG 61 HG2 ARG 61 -12.647 1.943 -2.868 464 HG3 ARG 61 HG1 ARG 61 -12.585 3.695 -3.063 465 HD2 ARG 61 HD2 ARG 61 -13.217 2.937 -0.342 466 HD3 ARG 61 HD1 ARG 61 -11.699 2.224 -0.880 467 HE ARG 61 HE ARG 61 -10.848 4.432 -1.280 468 HH11 ARG 61 HH11 ARG 61 -13.773 5.917 1.046 469 HH12 ARG 61 HH12 ARG 61 -13.935 4.324 0.387 470 HH21 ARG 61 HH21 ARG 61 -10.619 6.512 -0.382 471 HH22 ARG 61 HH22 ARG 61 -11.894 7.159 0.611 472 H ALA 62 HN ALA 62 -13.217 1.954 -5.353 473 HA ALA 62 HA ALA 62 -12.630 4.493 -6.381 474 HB1 ALA 62 HB1 ALA 62 -12.041 1.780 -7.544 475 HB2 ALA 62 HB2 ALA 62 -11.015 2.695 -6.440 476 HB3 ALA 62 HB3 ALA 62 -11.312 3.297 -8.071 477 H MET 63 HN MET 63 -14.506 1.818 -7.806 478 HA MET 63 HA MET 63 -15.164 3.393 -10.123 479 HB2 MET 63 HB2 MET 63 -16.442 1.476 -10.865 480 HB3 MET 63 HB1 MET 63 -14.871 0.954 -10.276 481 HG2 MET 63 HG2 MET 63 -15.941 0.316 -8.135 482 HG3 MET 63 HG1 MET 63 -17.503 0.735 -8.835 483 HE1 MET 63 HE1 MET 63 -14.448 -1.079 -10.679 484 HE2 MET 63 HE2 MET 63 -14.806 -2.742 -10.225 485 HE3 MET 63 HE3 MET 63 -14.398 -1.558 -8.983 486 H ILE 64 HN ILE 64 -16.618 2.826 -7.030 487 HA ILE 64 HA ILE 64 -19.242 3.668 -7.905 488 HB ILE 64 HB ILE 64 -18.174 3.103 -5.139 489 HG12 ILE 64 HG12 ILE 64 -20.008 1.544 -6.978 490 HG13 ILE 64 HG11 ILE 64 -18.345 1.130 -6.580 491 HG21 ILE 64 HG21 ILE 64 -20.564 3.129 -4.456 492 HG22 ILE 64 HG22 ILE 64 -20.965 3.797 -6.038 493 HG23 ILE 64 HG23 ILE 64 -19.944 4.710 -4.928 494 HD11 ILE 64 HD11 ILE 64 -20.662 1.192 -4.663 495 HD12 ILE 64 HD12 ILE 64 -18.993 0.800 -4.250 496 HD13 ILE 64 HD13 ILE 64 -19.899 -0.244 -5.344 497 H LEU 65 HN LEU 65 -16.635 5.035 -5.912 498 HA LEU 65 HA LEU 65 -18.055 7.520 -5.570 499 HB2 LEU 65 HB2 LEU 65 -15.920 6.239 -4.283 500 HB3 LEU 65 HB1 LEU 65 -15.237 7.694 -4.980 501 HG LEU 65 HG LEU 65 -16.977 9.030 -3.821 502 HD11 LEU 65 HD11 LEU 65 -17.707 6.360 -2.630 503 HD12 LEU 65 HD12 LEU 65 -18.737 7.422 -3.592 504 HD13 LEU 65 HD13 LEU 65 -18.222 7.915 -1.980 505 HD21 LEU 65 HD21 LEU 65 -14.766 8.727 -2.838 506 HD22 LEU 65 HD22 LEU 65 -15.317 7.257 -2.035 507 HD23 LEU 65 HD23 LEU 65 -16.008 8.818 -1.590 508 H GLY 66 HN GLY 66 -15.684 6.222 -7.751 509 HA2 GLY 66 HA2 GLY 66 -15.207 7.101 -9.875 510 HA3 GLY 66 HA1 GLY 66 -15.906 8.633 -9.371 511 H LYS 67 HN LYS 67 -13.392 6.721 -7.794 512 HA LYS 67 HA LYS 67 -11.236 8.358 -8.670 513 HB2 LYS 67 HB2 LYS 67 -10.648 9.267 -6.415 514 HB3 LYS 67 HB1 LYS 67 -12.089 9.981 -7.119 515 HG2 LYS 67 HG2 LYS 67 -13.509 8.700 -5.675 516 HG3 LYS 67 HG1 LYS 67 -12.133 7.779 -5.065 517 HD2 LYS 67 HD2 LYS 67 -12.649 9.416 -3.423 518 HD3 LYS 67 HD1 LYS 67 -11.178 9.954 -4.232 519 HE2 LYS 67 HE2 LYS 67 -12.618 11.396 -5.692 520 HE3 LYS 67 HE1 LYS 67 -13.982 10.964 -4.667 521 HZ1 LYS 67 HZ1 LYS 67 -13.034 13.073 -4.006 522 HZ2 LYS 67 HZ2 LYS 67 -11.519 12.362 -3.777 523 HZ3 LYS 67 HZ3 LYS 67 -12.812 11.932 -2.779 524 H SER 68 HN SER 68 -9.495 7.120 -8.652 525 HA SER 68 HA SER 68 -9.457 4.784 -6.862 526 HB2 SER 68 HB2 SER 68 -7.666 4.188 -8.834 527 HB3 SER 68 HB1 SER 68 -9.364 3.715 -8.860 528 HG SER 68 HG SER 68 -8.188 6.000 -10.078 529 H GLY 69 HN GLY 69 -8.550 7.223 -5.884 530 HA2 GLY 69 HA2 GLY 69 -5.826 7.764 -6.261 531 HA3 GLY 69 HA1 GLY 69 -6.755 8.178 -4.828 532 H GLU 70 HN GLU 70 -7.389 5.828 -3.712 533 HA GLU 70 HA GLU 70 -4.898 4.996 -2.598 534 HB2 GLU 70 HB2 GLU 70 -7.627 3.743 -2.229 535 HB3 GLU 70 HB1 GLU 70 -6.218 3.502 -1.205 536 HG2 GLU 70 HG2 GLU 70 -7.066 5.107 0.067 537 HG3 GLU 70 HG1 GLU 70 -6.509 6.221 -1.179 538 H LEU 71 HN LEU 71 -6.963 3.810 -5.107 539 HA LEU 71 HA LEU 71 -6.101 1.123 -5.153 540 HB2 LEU 71 HB2 LEU 71 -8.036 2.469 -6.438 541 HB3 LEU 71 HB1 LEU 71 -6.832 2.434 -7.712 542 HG LEU 71 HG LEU 71 -7.772 -0.060 -6.304 543 HD11 LEU 71 HD11 LEU 71 -9.688 1.039 -7.340 544 HD12 LEU 71 HD12 LEU 71 -9.255 -0.436 -8.202 545 HD13 LEU 71 HD13 LEU 71 -8.814 1.138 -8.866 546 HD21 LEU 71 HD21 LEU 71 -5.638 -0.234 -7.487 547 HD22 LEU 71 HD22 LEU 71 -6.398 0.376 -8.956 548 HD23 LEU 71 HD23 LEU 71 -6.891 -1.181 -8.289 549 H LYS 72 HN LYS 72 -4.925 4.024 -6.838 550 HA LYS 72 HA LYS 72 -3.006 2.706 -8.417 551 HB2 LYS 72 HB2 LYS 72 -3.447 5.522 -7.556 552 HB3 LYS 72 HB1 LYS 72 -1.866 5.105 -8.204 553 HG2 LYS 72 HG2 LYS 72 -3.210 4.056 -10.152 554 HG3 LYS 72 HG1 LYS 72 -4.534 5.055 -9.553 555 HD2 LYS 72 HD2 LYS 72 -1.812 6.170 -10.188 556 HD3 LYS 72 HD1 LYS 72 -3.097 6.052 -11.389 557 HE2 LYS 72 HE2 LYS 72 -4.546 7.410 -9.934 558 HE3 LYS 72 HE1 LYS 72 -3.218 7.568 -8.789 559 HZ1 LYS 72 HZ1 LYS 72 -3.386 9.497 -10.228 560 HZ2 LYS 72 HZ2 LYS 72 -3.185 8.526 -11.600 561 HZ3 LYS 72 HZ3 LYS 72 -1.923 8.690 -10.482 562 H THR 73 HN THR 73 -2.841 4.064 -5.160 563 HA THR 73 HA THR 73 -0.045 3.619 -4.854 564 HB THR 73 HB THR 73 -1.927 3.754 -2.520 565 HG1 THR 73 HG1 THR 73 -1.376 5.774 -4.423 566 HG21 THR 73 HG21 THR 73 0.799 4.935 -3.074 567 HG22 THR 73 HG22 THR 73 0.456 3.526 -2.072 568 HG23 THR 73 HG23 THR 73 -0.107 5.120 -1.572 569 H TRP 74 HN TRP 74 -2.927 1.919 -3.638 570 HA TRP 74 HA TRP 74 -1.607 -0.148 -2.298 571 HB2 TRP 74 HB2 TRP 74 -3.950 0.287 -1.900 572 HB3 TRP 74 HB1 TRP 74 -4.347 -0.075 -3.577 573 HD1 TRP 74 HD1 TRP 74 -5.091 -2.485 -4.061 574 HE1 TRP 74 HE1 TRP 74 -5.068 -4.714 -2.768 575 HE3 TRP 74 HE3 TRP 74 -2.358 -1.029 0.007 576 HZ2 TRP 74 HZ2 TRP 74 -4.022 -5.714 -0.348 577 HZ3 TRP 74 HZ3 TRP 74 -1.892 -2.686 1.762 578 HH2 TRP 74 HH2 TRP 74 -2.705 -4.978 1.588 579 H GLY 75 HN GLY 75 -2.855 -0.027 -5.636 580 HA2 GLY 75 HA2 GLY 75 -2.295 -2.660 -6.367 581 HA3 GLY 75 HA1 GLY 75 -2.343 -1.302 -7.480 582 H LEU 76 HN LEU 76 -0.163 0.155 -6.356 583 HA LEU 76 HA LEU 76 1.978 -1.228 -7.653 584 HB2 LEU 76 HB2 LEU 76 1.790 1.391 -6.184 585 HB3 LEU 76 HB1 LEU 76 3.316 0.784 -6.796 586 HG LEU 76 HG LEU 76 0.899 1.274 -8.538 587 HD11 LEU 76 HD11 LEU 76 1.637 3.382 -7.603 588 HD12 LEU 76 HD12 LEU 76 2.086 3.283 -9.306 589 HD13 LEU 76 HD13 LEU 76 3.304 3.030 -8.057 590 HD21 LEU 76 HD21 LEU 76 3.792 0.694 -9.144 591 HD22 LEU 76 HD22 LEU 76 2.598 1.193 -10.342 592 HD23 LEU 76 HD23 LEU 76 2.403 -0.336 -9.489 593 H VAL 77 HN VAL 77 1.173 -0.418 -4.308 594 HA VAL 77 HA VAL 77 3.554 -1.427 -3.153 595 HB VAL 77 HB VAL 77 0.807 -0.991 -1.962 596 HG11 VAL 77 HG11 VAL 77 1.968 -2.697 -0.663 597 HG12 VAL 77 HG12 VAL 77 1.885 -1.183 0.238 598 HG13 VAL 77 HG13 VAL 77 3.389 -1.657 -0.549 599 HG21 VAL 77 HG21 VAL 77 3.367 0.599 -1.849 600 HG22 VAL 77 HG22 VAL 77 1.924 0.955 -0.901 601 HG23 VAL 77 HG23 VAL 77 1.868 1.056 -2.661 602 H LEU 78 HN LEU 78 0.347 -2.842 -3.661 603 HA LEU 78 HA LEU 78 0.843 -5.318 -2.428 604 HB2 LEU 78 HB2 LEU 78 -1.403 -4.491 -2.938 605 HB3 LEU 78 HB1 LEU 78 -1.075 -4.619 -4.656 606 HG LEU 78 HG LEU 78 -0.871 -7.074 -4.415 607 HD11 LEU 78 HD11 LEU 78 -1.728 -6.554 -1.572 608 HD12 LEU 78 HD12 LEU 78 -0.157 -7.161 -2.093 609 HD13 LEU 78 HD13 LEU 78 -1.604 -8.138 -2.337 610 HD21 LEU 78 HD21 LEU 78 -3.012 -6.020 -5.024 611 HD22 LEU 78 HD22 LEU 78 -3.454 -5.978 -3.317 612 HD23 LEU 78 HD23 LEU 78 -3.227 -7.525 -4.131 613 H GLY 79 HN GLY 79 1.241 -4.230 -5.779 614 HA2 GLY 79 HA2 GLY 79 1.866 -6.704 -6.934 615 HA3 GLY 79 HA1 GLY 79 2.412 -5.146 -7.535 616 H ALA 80 HN ALA 80 3.899 -4.421 -5.181 617 HA ALA 80 HA ALA 80 6.328 -5.847 -5.768 618 HB1 ALA 80 HB1 ALA 80 5.727 -3.664 -3.779 619 HB2 ALA 80 HB2 ALA 80 6.441 -3.471 -5.380 620 HB3 ALA 80 HB3 ALA 80 7.335 -4.306 -4.109 621 H LEU 81 HN LEU 81 4.070 -5.631 -3.065 622 HA LEU 81 HA LEU 81 5.568 -7.164 -1.236 623 HB2 LEU 81 HB2 LEU 81 2.656 -6.484 -1.461 624 HB3 LEU 81 HB1 LEU 81 3.225 -7.586 -0.224 625 HG LEU 81 HG LEU 81 4.111 -4.721 -0.555 626 HD11 LEU 81 HD11 LEU 81 2.315 -6.023 1.478 627 HD12 LEU 81 HD12 LEU 81 1.827 -4.877 0.229 628 HD13 LEU 81 HD13 LEU 81 2.892 -4.358 1.535 629 HD21 LEU 81 HD21 LEU 81 4.827 -6.822 1.486 630 HD22 LEU 81 HD22 LEU 81 5.163 -5.100 1.672 631 HD23 LEU 81 HD23 LEU 81 5.915 -6.008 0.362 632 H LYS 82 HN LYS 82 3.125 -8.069 -3.634 633 HA LYS 82 HA LYS 82 2.874 -10.764 -2.878 634 HB2 LYS 82 HB2 LYS 82 2.385 -9.289 -5.448 635 HB3 LYS 82 HB1 LYS 82 2.238 -11.040 -5.386 636 HG2 LYS 82 HG2 LYS 82 0.642 -10.661 -3.429 637 HG3 LYS 82 HG1 LYS 82 0.617 -8.972 -3.946 638 HD2 LYS 82 HD2 LYS 82 -0.294 -9.536 -6.052 639 HD3 LYS 82 HD1 LYS 82 0.030 -11.254 -5.816 640 HE2 LYS 82 HE2 LYS 82 -1.568 -11.103 -3.828 641 HE3 LYS 82 HE1 LYS 82 -2.049 -9.538 -4.485 642 HZ1 LYS 82 HZ1 LYS 82 -2.254 -12.164 -5.859 643 HZ2 LYS 82 HZ2 LYS 82 -2.625 -10.677 -6.571 644 HZ3 LYS 82 HZ3 LYS 82 -3.538 -11.237 -5.263 645 H ALA 83 HN ALA 83 5.072 -9.157 -5.127 646 HA ALA 83 HA ALA 83 6.338 -11.530 -6.041 647 HB1 ALA 83 HB1 ALA 83 7.420 -8.711 -6.050 648 HB2 ALA 83 HB2 ALA 83 6.361 -9.395 -7.282 649 HB3 ALA 83 HB3 ALA 83 7.976 -10.061 -7.043 650 H ALA 84 HN ALA 84 6.839 -9.393 -3.328 651 HA ALA 84 HA ALA 84 9.446 -10.264 -2.627 652 HB1 ALA 84 HB1 ALA 84 8.975 -9.211 -0.445 653 HB2 ALA 84 HB2 ALA 84 7.299 -8.987 -0.941 654 HB3 ALA 84 HB3 ALA 84 8.592 -8.156 -1.807 655 H ARG 85 HN ARG 85 6.396 -11.725 -2.392 656 HA ARG 85 HA ARG 85 7.393 -13.647 -0.401 657 HB2 ARG 85 HB2 ARG 85 4.645 -12.625 -1.004 658 HB3 ARG 85 HB1 ARG 85 4.838 -14.237 -0.328 659 HG2 ARG 85 HG2 ARG 85 6.154 -13.206 1.536 660 HG3 ARG 85 HG1 ARG 85 5.691 -11.626 0.896 661 HD2 ARG 85 HD2 ARG 85 3.408 -12.004 1.328 662 HD3 ARG 85 HD1 ARG 85 3.658 -13.728 1.575 663 HE ARG 85 HE ARG 85 4.543 -11.618 3.443 664 HH11 ARG 85 HH11 ARG 85 3.468 -15.356 4.483 665 HH12 ARG 85 HH12 ARG 85 3.499 -14.914 2.807 666 HH21 ARG 85 HH21 ARG 85 4.473 -12.207 5.653 667 HH22 ARG 85 HH22 ARG 85 4.027 -13.825 6.096 668 H GLU 86 HN GLU 86 7.767 -13.473 -3.387 669 HA GLU 86 HA GLU 86 6.555 -16.056 -4.140 670 HB2 GLU 86 HB2 GLU 86 7.453 -13.679 -5.738 671 HB3 GLU 86 HB1 GLU 86 7.342 -15.262 -6.487 672 HG2 GLU 86 HG2 GLU 86 4.955 -15.351 -5.786 673 HG3 GLU 86 HG1 GLU 86 5.109 -13.680 -5.242 674 H GLU 87 HN GLU 87 9.191 -15.181 -2.701 675 HA GLU 87 HA GLU 87 10.918 -16.965 -4.266 676 HB2 GLU 87 HB2 GLU 87 11.746 -14.424 -2.859 677 HB3 GLU 87 HB1 GLU 87 12.855 -15.577 -3.583 678 HG2 GLU 87 HG2 GLU 87 11.922 -15.137 -5.780 679 HG3 GLU 87 HG1 GLU 87 10.742 -14.036 -5.073 680 H1 IHP 101 H37 IHP 0 14.706 10.881 0.980 681 H2 IHP 101 H38 IHP 0 13.217 11.804 2.696 682 H3 IHP 101 H39 IHP 0 12.833 12.380 0.295 683 H4 IHP 101 H40 IHP 0 10.908 10.003 0.356 684 H5 IHP 101 H41 IHP 0 13.509 10.486 -1.161 685 H6 IHP 101 H42 IHP 0 12.792 8.504 1.029 Start of MODEL 15 1 H1 SER 1 HT1 SER 1 1.560 6.011 10.973 2 H2 SER 1 HT2 SER 1 2.319 6.845 9.712 3 H3 SER 1 HT3 SER 1 2.578 7.319 11.310 4 HA SER 1 HA SER 1 3.828 5.424 11.811 5 HB2 SER 1 HB2 SER 1 3.284 4.330 9.057 6 HB3 SER 1 HB1 SER 1 3.895 3.479 10.474 7 HG SER 1 HG SER 1 1.852 3.704 11.432 8 H GLU 2 HN GLU 2 6.031 4.816 10.868 9 HA GLU 2 HA GLU 2 6.916 6.677 8.794 10 HB2 GLU 2 HB2 GLU 2 8.996 6.696 10.675 11 HB3 GLU 2 HB1 GLU 2 7.940 8.029 10.248 12 HG2 GLU 2 HG2 GLU 2 7.653 7.996 12.502 13 HG3 GLU 2 HG1 GLU 2 6.348 6.919 12.012 14 H ALA 3 HN ALA 3 8.409 4.410 11.100 15 HA ALA 3 HA ALA 3 10.476 3.531 9.506 16 HB1 ALA 3 HB1 ALA 3 10.234 3.083 11.913 17 HB2 ALA 3 HB2 ALA 3 10.660 1.642 10.988 18 HB3 ALA 3 HB3 ALA 3 9.001 1.877 11.542 19 H VAL 4 HN VAL 4 7.347 1.870 9.934 20 HA VAL 4 HA VAL 4 7.818 -0.238 8.176 21 HB VAL 4 HB VAL 4 5.158 1.059 8.800 22 HG11 VAL 4 HG11 VAL 4 4.956 -0.367 6.872 23 HG12 VAL 4 HG12 VAL 4 4.236 -1.186 8.261 24 HG13 VAL 4 HG13 VAL 4 5.834 -1.661 7.686 25 HG21 VAL 4 HG21 VAL 4 4.952 -0.610 10.553 26 HG22 VAL 4 HG22 VAL 4 6.403 0.355 10.807 27 HG23 VAL 4 HG23 VAL 4 6.534 -1.271 10.138 28 H ILE 5 HN ILE 5 6.564 2.999 7.541 29 HA ILE 5 HA ILE 5 5.774 2.532 4.875 30 HB ILE 5 HB ILE 5 6.582 5.124 6.193 31 HG12 ILE 5 HG12 ILE 5 3.897 3.792 5.763 32 HG13 ILE 5 HG11 ILE 5 4.701 4.064 7.305 33 HG21 ILE 5 HG21 ILE 5 5.079 4.655 3.614 34 HG22 ILE 5 HG22 ILE 5 6.716 5.296 3.760 35 HG23 ILE 5 HG23 ILE 5 5.347 6.221 4.378 36 HD11 ILE 5 HD11 ILE 5 3.701 6.218 5.464 37 HD12 ILE 5 HD12 ILE 5 4.444 6.454 7.047 38 HD13 ILE 5 HD13 ILE 5 2.885 5.641 6.914 39 H LYS 6 HN LYS 6 8.827 3.748 6.256 40 HA LYS 6 HA LYS 6 10.042 4.214 3.735 41 HB2 LYS 6 HB2 LYS 6 10.795 4.486 6.478 42 HB3 LYS 6 HB1 LYS 6 12.069 3.612 5.635 43 HG2 LYS 6 HG2 LYS 6 10.921 6.262 4.772 44 HG3 LYS 6 HG1 LYS 6 12.435 6.046 5.651 45 HD2 LYS 6 HD2 LYS 6 13.554 5.382 3.812 46 HD3 LYS 6 HD1 LYS 6 12.196 4.433 3.205 47 HE2 LYS 6 HE2 LYS 6 12.205 6.062 1.622 48 HE3 LYS 6 HE1 LYS 6 11.193 6.870 2.814 49 HZ1 LYS 6 HZ1 LYS 6 13.246 7.956 3.652 50 HZ2 LYS 6 HZ2 LYS 6 12.848 8.391 2.073 51 HZ3 LYS 6 HZ3 LYS 6 14.095 7.285 2.350 52 H VAL 7 HN VAL 7 9.645 1.376 5.703 53 HA VAL 7 HA VAL 7 11.636 -0.212 4.408 54 HB VAL 7 HB VAL 7 9.175 -1.071 5.954 55 HG11 VAL 7 HG11 VAL 7 11.583 -2.737 5.228 56 HG12 VAL 7 HG12 VAL 7 10.045 -2.795 4.369 57 HG13 VAL 7 HG13 VAL 7 10.125 -3.272 6.064 58 HG21 VAL 7 HG21 VAL 7 10.725 0.184 7.325 59 HG22 VAL 7 HG22 VAL 7 12.067 -0.821 6.775 60 HG23 VAL 7 HG23 VAL 7 10.789 -1.524 7.767 61 H ILE 8 HN ILE 8 8.122 0.118 4.079 62 HA ILE 8 HA ILE 8 7.772 -1.724 1.992 63 HB ILE 8 HB ILE 8 6.138 0.748 2.612 64 HG12 ILE 8 HG12 ILE 8 6.319 -0.860 4.490 65 HG13 ILE 8 HG11 ILE 8 4.681 -0.742 3.863 66 HG21 ILE 8 HG21 ILE 8 4.323 -0.342 1.393 67 HG22 ILE 8 HG22 ILE 8 5.395 -1.680 0.980 68 HG23 ILE 8 HG23 ILE 8 5.717 -0.067 0.347 69 HD11 ILE 8 HD11 ILE 8 5.332 -3.046 4.396 70 HD12 ILE 8 HD12 ILE 8 6.629 -2.942 3.206 71 HD13 ILE 8 HD13 ILE 8 4.946 -2.838 2.687 72 H SER 9 HN SER 9 8.586 1.725 1.938 73 HA SER 9 HA SER 9 8.344 2.009 -0.873 74 HB2 SER 9 HB2 SER 9 10.039 4.000 -0.307 75 HB3 SER 9 HB1 SER 9 8.321 4.089 0.083 76 HG SER 9 HG SER 9 8.758 3.638 2.182 77 H SER 10 HN SER 10 11.145 1.381 1.243 78 HA SER 10 HA SER 10 13.120 1.375 -0.727 79 HB2 SER 10 HB2 SER 10 12.986 -0.323 1.782 80 HB3 SER 10 HB1 SER 10 14.437 -0.020 0.830 81 HG SER 10 HG SER 10 12.906 1.858 2.314 82 H ALA 11 HN ALA 11 10.871 -1.128 0.278 83 HA ALA 11 HA ALA 11 12.003 -3.278 -1.140 84 HB1 ALA 11 HB1 ALA 11 9.093 -2.865 -0.456 85 HB2 ALA 11 HB2 ALA 11 10.310 -3.505 0.649 86 HB3 ALA 11 HB3 ALA 11 9.895 -4.395 -0.815 87 H CYS 12 HN CYS 12 9.355 -1.043 -2.052 88 HA CYS 12 HA CYS 12 9.056 -2.201 -4.629 89 HB2 CYS 12 HB2 CYS 12 7.685 -0.192 -5.144 90 HB3 CYS 12 HB1 CYS 12 7.193 -1.038 -3.682 91 HG CYS 12 HG CYS 12 9.329 1.322 -2.865 92 H LYS 13 HN LYS 13 11.140 0.316 -3.372 93 HA LYS 13 HA LYS 13 11.827 1.483 -5.870 94 HB2 LYS 13 HB2 LYS 13 13.423 1.333 -3.303 95 HB3 LYS 13 HB1 LYS 13 13.853 2.323 -4.686 96 HG2 LYS 13 HG2 LYS 13 11.267 2.617 -3.180 97 HG3 LYS 13 HG1 LYS 13 12.730 3.523 -2.796 98 HD2 LYS 13 HD2 LYS 13 12.726 4.519 -5.013 99 HD3 LYS 13 HD1 LYS 13 11.311 3.561 -5.461 100 HE2 LYS 13 HE2 LYS 13 10.461 5.685 -4.905 101 HE3 LYS 13 HE1 LYS 13 10.130 4.677 -3.499 102 HZ1 LYS 13 HZ1 LYS 13 12.266 5.610 -2.556 103 HZ2 LYS 13 HZ2 LYS 13 10.971 6.687 -2.673 104 HZ3 LYS 13 HZ3 LYS 13 12.218 6.748 -3.803 105 H THR 14 HN THR 14 12.575 -1.496 -4.405 106 HA THR 14 HA THR 14 14.988 -1.938 -5.970 107 HB THR 14 HB THR 14 13.561 -3.908 -4.176 108 HG1 THR 14 HG1 THR 14 14.113 -2.087 -2.935 109 HG21 THR 14 HG21 THR 14 16.404 -3.741 -5.181 110 HG22 THR 14 HG22 THR 14 15.194 -4.934 -5.649 111 HG23 THR 14 HG23 THR 14 15.819 -4.910 -3.999 112 H TYR 15 HN TYR 15 11.594 -2.791 -5.969 113 HA TYR 15 HA TYR 15 11.986 -4.766 -8.071 114 HB2 TYR 15 HB2 TYR 15 9.460 -3.886 -6.650 115 HB3 TYR 15 HB1 TYR 15 9.563 -5.196 -7.826 116 HD1 TYR 15 HD1 TYR 15 8.885 -4.963 -4.653 117 HD2 TYR 15 HD2 TYR 15 12.082 -6.504 -6.998 118 HE1 TYR 15 HE1 TYR 15 9.458 -6.522 -2.838 119 HE2 TYR 15 HE2 TYR 15 12.662 -8.065 -5.192 120 HH TYR 15 HH TYR 15 12.389 -8.214 -2.746 121 H CYS 16 HN CYS 16 9.890 -1.914 -7.629 122 HA CYS 16 HA CYS 16 9.447 -1.717 -10.465 123 HB2 CYS 16 HB2 CYS 16 8.754 0.328 -8.356 124 HB3 CYS 16 HB1 CYS 16 7.990 0.093 -9.924 125 HG CYS 16 HG CYS 16 6.816 -2.351 -9.250 126 H GLY 17 HN GLY 17 11.308 0.009 -8.017 127 HA2 GLY 17 HA2 GLY 17 13.306 1.164 -8.331 128 HA3 GLY 17 HA1 GLY 17 13.102 0.992 -10.068 129 H LYS 18 HN LYS 18 11.785 2.474 -11.187 130 HA LYS 18 HA LYS 18 11.484 5.022 -9.758 131 HB2 LYS 18 HB2 LYS 18 11.432 6.028 -12.057 132 HB3 LYS 18 HB1 LYS 18 12.949 5.262 -11.616 133 HG2 LYS 18 HG2 LYS 18 11.372 3.294 -12.876 134 HG3 LYS 18 HG1 LYS 18 11.273 4.758 -13.859 135 HD2 LYS 18 HD2 LYS 18 13.791 3.376 -12.933 136 HD3 LYS 18 HD1 LYS 18 13.155 3.405 -14.577 137 HE2 LYS 18 HE2 LYS 18 14.287 5.274 -14.964 138 HE3 LYS 18 HE1 LYS 18 13.357 6.087 -13.710 139 HZ1 LYS 18 HZ1 LYS 18 15.067 4.952 -12.146 140 HZ2 LYS 18 HZ2 LYS 18 15.501 6.358 -12.978 141 HZ3 LYS 18 HZ3 LYS 18 16.021 4.851 -13.541 142 H THR 19 HN THR 19 9.732 2.475 -11.123 143 HA THR 19 HA THR 19 7.364 4.018 -11.740 144 HB THR 19 HB THR 19 7.156 1.079 -11.455 145 HG1 THR 19 HG1 THR 19 8.527 2.039 -13.724 146 HG21 THR 19 HG21 THR 19 6.021 1.313 -13.617 147 HG22 THR 19 HG22 THR 19 6.458 3.019 -13.664 148 HG23 THR 19 HG23 THR 19 5.357 2.426 -12.423 149 H SER 20 HN SER 20 8.795 3.103 -8.960 150 HA SER 20 HA SER 20 6.601 2.098 -7.446 151 HB2 SER 20 HB2 SER 20 8.681 3.469 -5.919 152 HB3 SER 20 HB1 SER 20 8.196 1.772 -5.880 153 HG SER 20 HG SER 20 10.212 3.026 -7.328 154 HA PRO 21 HA PRO 21 4.670 5.992 -6.523 155 HB2 PRO 21 HB2 PRO 21 3.242 5.319 -4.333 156 HB3 PRO 21 HB1 PRO 21 2.834 4.685 -5.940 157 HG2 PRO 21 HG2 PRO 21 4.251 3.360 -3.692 158 HG3 PRO 21 HG1 PRO 21 3.083 2.690 -4.845 159 HD2 PRO 21 HD2 PRO 21 5.819 2.373 -5.026 160 HD3 PRO 21 HD1 PRO 21 4.689 2.219 -6.386 161 H SER 22 HN SER 22 4.980 7.796 -5.216 162 HA SER 22 HA SER 22 7.292 7.864 -3.595 163 HB2 SER 22 HB2 SER 22 5.034 9.872 -3.529 164 HB3 SER 22 HB1 SER 22 6.742 10.162 -3.221 165 HG SER 22 HG SER 22 7.137 10.211 -5.313 166 H LYS 23 HN LYS 23 7.501 7.913 -1.329 167 HA LYS 23 HA LYS 23 5.631 6.339 0.076 168 HB2 LYS 23 HB2 LYS 23 7.239 6.215 1.628 169 HB3 LYS 23 HB1 LYS 23 8.223 7.159 0.525 170 HG2 LYS 23 HG2 LYS 23 6.445 8.519 2.501 171 HG3 LYS 23 HG1 LYS 23 8.019 7.889 2.985 172 HD2 LYS 23 HD2 LYS 23 9.161 9.311 1.503 173 HD3 LYS 23 HD1 LYS 23 7.683 9.696 0.616 174 HE2 LYS 23 HE2 LYS 23 6.823 10.939 2.480 175 HE3 LYS 23 HE1 LYS 23 8.178 10.439 3.493 176 HZ1 LYS 23 HZ1 LYS 23 8.691 11.874 0.984 177 HZ2 LYS 23 HZ2 LYS 23 9.624 11.811 2.391 178 HZ3 LYS 23 HZ3 LYS 23 8.210 12.741 2.356 179 H LYS 24 HN LYS 24 5.758 9.696 -0.594 180 HA LYS 24 HA LYS 24 4.211 10.712 1.531 181 HB2 LYS 24 HB2 LYS 24 4.810 11.621 -1.257 182 HB3 LYS 24 HB1 LYS 24 3.527 12.426 -0.365 183 HG2 LYS 24 HG2 LYS 24 5.232 12.779 1.481 184 HG3 LYS 24 HG1 LYS 24 6.446 12.282 0.305 185 HD2 LYS 24 HD2 LYS 24 4.493 14.435 -0.390 186 HD3 LYS 24 HD1 LYS 24 5.883 14.811 0.625 187 HE2 LYS 24 HE2 LYS 24 6.165 13.415 -2.022 188 HE3 LYS 24 HE1 LYS 24 6.129 15.171 -1.890 189 HZ1 LYS 24 HZ1 LYS 24 8.071 15.099 -0.488 190 HZ2 LYS 24 HZ2 LYS 24 8.392 14.261 -1.921 191 HZ3 LYS 24 HZ3 LYS 24 8.073 13.410 -0.504 192 H GLU 25 HN GLU 25 3.396 8.937 -1.341 193 HA GLU 25 HA GLU 25 0.552 9.457 -1.130 194 HB2 GLU 25 HB2 GLU 25 1.927 7.360 -2.811 195 HB3 GLU 25 HB1 GLU 25 0.316 8.020 -3.039 196 HG2 GLU 25 HG2 GLU 25 1.216 10.142 -3.703 197 HG3 GLU 25 HG1 GLU 25 2.852 9.613 -3.309 198 H ILE 26 HN ILE 26 2.856 6.903 -0.429 199 HA ILE 26 HA ILE 26 1.075 4.854 0.263 200 HB ILE 26 HB ILE 26 3.838 5.355 1.390 201 HG12 ILE 26 HG12 ILE 26 2.970 3.741 -1.022 202 HG13 ILE 26 HG11 ILE 26 3.835 5.273 -1.066 203 HG21 ILE 26 HG21 ILE 26 2.583 3.743 2.704 204 HG22 ILE 26 HG22 ILE 26 3.873 2.941 1.806 205 HG23 ILE 26 HG23 ILE 26 2.204 2.825 1.246 206 HD11 ILE 26 HD11 ILE 26 5.289 3.346 -1.470 207 HD12 ILE 26 HD12 ILE 26 4.886 2.721 0.129 208 HD13 ILE 26 HD13 ILE 26 5.759 4.245 -0.028 209 H GLY 27 HN GLY 27 2.531 7.431 2.221 210 HA2 GLY 27 HA2 GLY 27 1.582 6.606 4.729 211 HA3 GLY 27 HA1 GLY 27 1.968 8.263 4.291 212 H ALA 28 HN ALA 28 0.071 8.669 2.290 213 HA ALA 28 HA ALA 28 -2.202 9.328 3.841 214 HB1 ALA 28 HB1 ALA 28 -1.423 10.594 1.838 215 HB2 ALA 28 HB2 ALA 28 -3.141 10.195 1.807 216 HB3 ALA 28 HB3 ALA 28 -2.003 9.265 0.832 217 H MET 29 HN MET 29 -1.604 6.876 1.357 218 HA MET 29 HA MET 29 -4.164 5.737 1.303 219 HB2 MET 29 HB2 MET 29 -2.500 5.238 -0.397 220 HB3 MET 29 HB1 MET 29 -1.457 4.486 0.802 221 HG2 MET 29 HG2 MET 29 -3.526 2.927 1.174 222 HG3 MET 29 HG1 MET 29 -3.951 3.459 -0.451 223 HE1 MET 29 HE1 MET 29 -0.377 2.651 1.229 224 HE2 MET 29 HE2 MET 29 -0.285 0.954 0.751 225 HE3 MET 29 HE3 MET 29 -1.578 1.500 1.817 226 H LEU 30 HN LEU 30 -1.332 5.033 3.293 227 HA LEU 30 HA LEU 30 -2.302 2.790 4.651 228 HB2 LEU 30 HB2 LEU 30 0.048 3.733 4.659 229 HB3 LEU 30 HB1 LEU 30 -0.515 4.923 5.815 230 HG LEU 30 HG LEU 30 -1.135 3.038 7.346 231 HD11 LEU 30 HD11 LEU 30 0.283 1.443 5.225 232 HD12 LEU 30 HD12 LEU 30 -1.350 1.210 5.849 233 HD13 LEU 30 HD13 LEU 30 0.043 0.872 6.875 234 HD21 LEU 30 HD21 LEU 30 1.311 2.474 7.837 235 HD22 LEU 30 HD22 LEU 30 0.835 4.170 7.879 236 HD23 LEU 30 HD23 LEU 30 1.692 3.529 6.477 237 H SER 31 HN SER 31 -2.412 6.221 5.563 238 HA SER 31 HA SER 31 -3.816 5.933 7.959 239 HB2 SER 31 HB2 SER 31 -4.009 8.281 6.059 240 HB3 SER 31 HB1 SER 31 -4.258 8.302 7.804 241 HG SER 31 HG SER 31 -1.849 7.991 6.353 242 H LEU 32 HN LEU 32 -4.935 6.152 4.635 243 HA LEU 32 HA LEU 32 -7.686 6.486 5.146 244 HB2 LEU 32 HB2 LEU 32 -5.978 5.973 2.877 245 HB3 LEU 32 HB1 LEU 32 -7.418 4.981 2.783 246 HG LEU 32 HG LEU 32 -7.625 7.127 1.567 247 HD11 LEU 32 HD11 LEU 32 -9.613 5.991 2.379 248 HD12 LEU 32 HD12 LEU 32 -9.811 7.742 2.459 249 HD13 LEU 32 HD13 LEU 32 -9.472 6.827 3.926 250 HD21 LEU 32 HD21 LEU 32 -6.223 8.442 3.149 251 HD22 LEU 32 HD22 LEU 32 -7.569 8.415 4.289 252 HD23 LEU 32 HD23 LEU 32 -7.752 9.213 2.726 253 H LEU 33 HN LEU 33 -5.739 3.574 4.557 254 HA LEU 33 HA LEU 33 -7.805 1.694 4.713 255 HB2 LEU 33 HB2 LEU 33 -4.937 1.312 5.578 256 HB3 LEU 33 HB1 LEU 33 -6.070 0.044 5.155 257 HG LEU 33 HG LEU 33 -5.004 2.124 3.250 258 HD11 LEU 33 HD11 LEU 33 -3.743 0.291 2.267 259 HD12 LEU 33 HD12 LEU 33 -4.346 -0.804 3.510 260 HD13 LEU 33 HD13 LEU 33 -3.290 0.535 3.953 261 HD21 LEU 33 HD21 LEU 33 -7.170 1.486 2.526 262 HD22 LEU 33 HD22 LEU 33 -6.860 -0.214 2.882 263 HD23 LEU 33 HD23 LEU 33 -6.020 0.574 1.547 264 H GLN 34 HN GLN 34 -5.847 3.194 7.209 265 HA GLN 34 HA GLN 34 -6.786 1.561 9.349 266 HB2 GLN 34 HB2 GLN 34 -5.586 4.333 9.503 267 HB3 GLN 34 HB1 GLN 34 -5.689 3.154 10.806 268 HG2 GLN 34 HG2 GLN 34 -4.150 1.697 9.677 269 HG3 GLN 34 HG1 GLN 34 -4.135 2.747 8.262 270 HE21 GLN 34 HE21 GLN 34 -1.883 1.906 9.799 271 HE22 GLN 34 HE22 GLN 34 -1.149 3.325 10.466 272 H LYS 35 HN LYS 35 -7.665 4.757 8.107 273 HA LYS 35 HA LYS 35 -9.573 5.369 10.092 274 HB2 LYS 35 HB2 LYS 35 -9.642 7.326 9.011 275 HB3 LYS 35 HB1 LYS 35 -8.480 6.660 7.878 276 HG2 LYS 35 HG2 LYS 35 -10.340 5.888 6.462 277 HG3 LYS 35 HG1 LYS 35 -11.475 6.638 7.583 278 HD2 LYS 35 HD2 LYS 35 -10.247 8.810 7.168 279 HD3 LYS 35 HD1 LYS 35 -9.417 7.984 5.846 280 HE2 LYS 35 HE2 LYS 35 -11.245 9.096 4.855 281 HE3 LYS 35 HE1 LYS 35 -11.718 7.400 4.954 282 HZ1 LYS 35 HZ1 LYS 35 -12.957 7.934 6.986 283 HZ2 LYS 35 HZ2 LYS 35 -13.530 8.801 5.652 284 HZ3 LYS 35 HZ3 LYS 35 -12.556 9.567 6.805 285 H GLU 36 HN GLU 36 -9.765 3.487 7.158 286 HA GLU 36 HA GLU 36 -12.641 3.339 7.200 287 HB2 GLU 36 HB2 GLU 36 -10.568 1.855 5.586 288 HB3 GLU 36 HB1 GLU 36 -12.302 1.656 5.374 289 HG2 GLU 36 HG2 GLU 36 -10.763 4.220 5.001 290 HG3 GLU 36 HG1 GLU 36 -11.345 3.165 3.714 291 H GLY 37 HN GLY 37 -10.369 2.009 9.132 292 HA2 GLY 37 HA2 GLY 37 -10.510 0.357 10.731 293 HA3 GLY 37 HA1 GLY 37 -12.171 0.092 10.224 294 H LEU 38 HN LEU 38 -9.946 -0.119 7.665 295 HA LEU 38 HA LEU 38 -10.485 -2.910 7.334 296 HB2 LEU 38 HB2 LEU 38 -8.609 -1.052 5.865 297 HB3 LEU 38 HB1 LEU 38 -8.922 -2.710 5.395 298 HG LEU 38 HG LEU 38 -10.998 -0.521 5.493 299 HD11 LEU 38 HD11 LEU 38 -9.652 -1.812 3.125 300 HD12 LEU 38 HD12 LEU 38 -9.346 -0.177 3.714 301 HD13 LEU 38 HD13 LEU 38 -10.933 -0.601 3.069 302 HD21 LEU 38 HD21 LEU 38 -12.370 -2.181 4.248 303 HD22 LEU 38 HD22 LEU 38 -12.012 -2.657 5.908 304 HD23 LEU 38 HD23 LEU 38 -11.125 -3.387 4.571 305 H LEU 39 HN LEU 39 -7.801 -0.979 8.472 306 HA LEU 39 HA LEU 39 -6.449 -3.450 9.317 307 HB2 LEU 39 HB2 LEU 39 -5.169 -0.944 8.224 308 HB3 LEU 39 HB1 LEU 39 -4.282 -2.253 8.981 309 HG LEU 39 HG LEU 39 -5.891 -2.453 6.435 310 HD11 LEU 39 HD11 LEU 39 -2.920 -2.450 6.922 311 HD12 LEU 39 HD12 LEU 39 -3.859 -1.190 6.120 312 HD13 LEU 39 HD13 LEU 39 -3.703 -2.783 5.377 313 HD21 LEU 39 HD21 LEU 39 -4.595 -4.689 6.343 314 HD22 LEU 39 HD22 LEU 39 -6.036 -4.580 7.350 315 HD23 LEU 39 HD23 LEU 39 -4.440 -4.484 8.089 316 H MET 40 HN MET 40 -4.752 -2.895 11.062 317 HA MET 40 HA MET 40 -5.919 -0.900 12.892 318 HB2 MET 40 HB2 MET 40 -6.361 -3.161 13.691 319 HB3 MET 40 HB1 MET 40 -4.655 -3.568 13.555 320 HG2 MET 40 HG2 MET 40 -4.165 -1.825 15.255 321 HG3 MET 40 HG1 MET 40 -5.900 -1.594 15.456 322 HE1 MET 40 HE1 MET 40 -2.791 -3.727 16.306 323 HE2 MET 40 HE2 MET 40 -3.520 -4.717 15.039 324 HE3 MET 40 HE3 MET 40 -3.479 -5.304 16.701 325 H SER 41 HN SER 41 -2.990 -2.677 12.042 326 HA SER 41 HA SER 41 -1.396 -0.354 12.915 327 HB2 SER 41 HB2 SER 41 0.391 -2.316 13.189 328 HB3 SER 41 HB1 SER 41 -0.736 -1.908 14.483 329 HG SER 41 HG SER 41 -1.814 -3.687 12.703 330 HA PRO 42 HA PRO 42 0.328 -0.206 8.840 331 HB2 PRO 42 HB2 PRO 42 2.992 0.236 9.393 332 HB3 PRO 42 HB1 PRO 42 1.747 1.494 9.446 333 HG2 PRO 42 HG2 PRO 42 2.947 -0.055 11.680 334 HG3 PRO 42 HG1 PRO 42 2.522 1.667 11.600 335 HD2 PRO 42 HD2 PRO 42 0.964 -0.102 12.881 336 HD3 PRO 42 HD1 PRO 42 0.278 1.271 11.985 337 H SER 43 HN SER 43 1.764 -2.289 11.226 338 HA SER 43 HA SER 43 3.399 -3.811 9.483 339 HB2 SER 43 HB2 SER 43 2.739 -5.344 11.751 340 HB3 SER 43 HB1 SER 43 4.189 -4.370 11.501 341 HG SER 43 HG SER 43 2.701 -3.916 13.396 342 H ASP 44 HN ASP 44 0.038 -3.730 9.890 343 HA ASP 44 HA ASP 44 -0.585 -6.481 9.558 344 HB2 ASP 44 HB2 ASP 44 -2.140 -3.939 9.129 345 HB3 ASP 44 HB1 ASP 44 -2.810 -5.496 8.661 346 H LEU 45 HN LEU 45 0.753 -4.210 7.480 347 HA LEU 45 HA LEU 45 -0.335 -4.983 4.991 348 HB2 LEU 45 HB2 LEU 45 1.954 -3.402 5.938 349 HB3 LEU 45 HB1 LEU 45 2.202 -4.166 4.383 350 HG LEU 45 HG LEU 45 1.394 -1.897 4.100 351 HD11 LEU 45 HD11 LEU 45 0.702 -3.720 2.528 352 HD12 LEU 45 HD12 LEU 45 -0.349 -2.307 2.557 353 HD13 LEU 45 HD13 LEU 45 -0.835 -3.784 3.389 354 HD21 LEU 45 HD21 LEU 45 -0.869 -1.270 4.828 355 HD22 LEU 45 HD22 LEU 45 0.199 -1.622 6.187 356 HD23 LEU 45 HD23 LEU 45 -1.006 -2.808 5.683 357 H TYR 46 HN TYR 46 1.946 -6.476 7.089 358 HA TYR 46 HA TYR 46 3.228 -8.048 5.038 359 HB2 TYR 46 HB2 TYR 46 3.319 -8.324 8.053 360 HB3 TYR 46 HB1 TYR 46 4.385 -9.140 6.911 361 HD1 TYR 46 HD1 TYR 46 5.359 -7.231 5.103 362 HD2 TYR 46 HD2 TYR 46 4.388 -6.638 9.203 363 HE1 TYR 46 HE1 TYR 46 6.905 -5.320 5.187 364 HE2 TYR 46 HE2 TYR 46 5.932 -4.725 9.297 365 HH TYR 46 HH TYR 46 7.782 -3.791 8.164 366 H SER 47 HN SER 47 0.230 -8.193 6.420 367 HA SER 47 HA SER 47 0.083 -11.107 6.451 368 HB2 SER 47 HB2 SER 47 -2.136 -9.128 7.007 369 HB3 SER 47 HB1 SER 47 -2.078 -10.832 7.456 370 HG SER 47 HG SER 47 0.070 -9.754 8.498 371 HA PRO 48 HA PRO 48 -1.070 -10.709 2.102 372 HB2 PRO 48 HB2 PRO 48 -1.134 -13.400 1.616 373 HB3 PRO 48 HB1 PRO 48 0.359 -12.442 1.651 374 HG2 PRO 48 HG2 PRO 48 -0.802 -14.193 3.754 375 HG3 PRO 48 HG1 PRO 48 0.890 -14.000 3.251 376 HD2 PRO 48 HD2 PRO 48 -0.108 -12.824 5.470 377 HD3 PRO 48 HD1 PRO 48 1.184 -12.094 4.499 378 H GLY 49 HN GLY 49 -2.739 -12.705 4.490 379 HA2 GLY 49 HA2 GLY 49 -4.981 -13.324 2.846 380 HA3 GLY 49 HA1 GLY 49 -4.911 -13.464 4.596 381 H SER 50 HN SER 50 -4.086 -10.471 4.524 382 HA SER 50 HA SER 50 -6.828 -9.518 4.707 383 HB2 SER 50 HB2 SER 50 -4.322 -7.972 5.371 384 HB3 SER 50 HB1 SER 50 -5.957 -7.699 5.971 385 HG SER 50 HG SER 50 -4.389 -8.857 7.390 386 H TRP 51 HN TRP 51 -4.481 -9.627 2.339 387 HA TRP 51 HA TRP 51 -4.714 -7.020 1.224 388 HB2 TRP 51 HB2 TRP 51 -3.870 -9.640 -0.030 389 HB3 TRP 51 HB1 TRP 51 -3.760 -8.081 -0.834 390 HD1 TRP 51 HD1 TRP 51 -2.741 -6.837 2.210 391 HE1 TRP 51 HE1 TRP 51 -0.215 -7.082 2.676 392 HE3 TRP 51 HE3 TRP 51 -1.628 -10.450 -1.240 393 HZ2 TRP 51 HZ2 TRP 51 1.949 -8.597 1.698 394 HZ3 TRP 51 HZ3 TRP 51 0.701 -11.236 -1.414 395 HH2 TRP 51 HH2 TRP 51 2.447 -10.325 0.024 396 H ASP 52 HN ASP 52 -6.460 -10.031 0.752 397 HA ASP 52 HA ASP 52 -7.837 -9.398 -1.582 398 HB2 ASP 52 HB2 ASP 52 -7.818 -11.662 -0.779 399 HB3 ASP 52 HB1 ASP 52 -8.656 -11.199 0.701 400 HA PRO 53 HA PRO 53 -11.641 -7.864 1.090 401 HB2 PRO 53 HB2 PRO 53 -10.843 -6.826 3.554 402 HB3 PRO 53 HB1 PRO 53 -11.637 -8.391 3.306 403 HG2 PRO 53 HG2 PRO 53 -8.756 -7.784 3.690 404 HG3 PRO 53 HG1 PRO 53 -9.721 -9.152 4.283 405 HD2 PRO 53 HD2 PRO 53 -8.062 -9.433 2.209 406 HD3 PRO 53 HD1 PRO 53 -9.624 -10.277 2.269 407 H ILE 54 HN ILE 54 -8.477 -6.371 1.690 408 HA ILE 54 HA ILE 54 -9.393 -3.700 1.653 409 HB ILE 54 HB ILE 54 -6.637 -4.774 1.025 410 HG12 ILE 54 HG12 ILE 54 -7.721 -3.548 3.567 411 HG13 ILE 54 HG11 ILE 54 -7.526 -5.276 3.306 412 HG21 ILE 54 HG21 ILE 54 -5.841 -2.504 1.446 413 HG22 ILE 54 HG22 ILE 54 -7.500 -1.959 1.697 414 HG23 ILE 54 HG23 ILE 54 -6.989 -2.524 0.107 415 HD11 ILE 54 HD11 ILE 54 -5.141 -5.015 3.117 416 HD12 ILE 54 HD12 ILE 54 -5.709 -4.291 4.619 417 HD13 ILE 54 HD13 ILE 54 -5.294 -3.261 3.248 418 H THR 55 HN THR 55 -7.841 -5.687 -0.865 419 HA THR 55 HA THR 55 -7.872 -3.797 -2.910 420 HB THR 55 HB THR 55 -8.236 -6.777 -3.301 421 HG1 THR 55 HG1 THR 55 -6.438 -6.538 -2.008 422 HG21 THR 55 HG21 THR 55 -6.958 -6.341 -5.381 423 HG22 THR 55 HG22 THR 55 -7.013 -4.616 -5.021 424 HG23 THR 55 HG23 THR 55 -8.506 -5.498 -5.342 425 H ALA 56 HN ALA 56 -10.331 -6.157 -1.961 426 HA ALA 56 HA ALA 56 -12.131 -5.640 -4.066 427 HB1 ALA 56 HB1 ALA 56 -12.674 -6.693 -1.291 428 HB2 ALA 56 HB2 ALA 56 -12.283 -7.654 -2.720 429 HB3 ALA 56 HB3 ALA 56 -13.801 -6.759 -2.646 430 H ALA 57 HN ALA 57 -12.054 -4.420 -0.713 431 HA ALA 57 HA ALA 57 -14.315 -2.772 -0.886 432 HB1 ALA 57 HB1 ALA 57 -13.266 -3.391 1.229 433 HB2 ALA 57 HB2 ALA 57 -13.434 -1.642 1.089 434 HB3 ALA 57 HB3 ALA 57 -11.864 -2.400 0.831 435 H LEU 58 HN LEU 58 -10.894 -2.051 -1.515 436 HA LEU 58 HA LEU 58 -11.256 0.699 -2.023 437 HB2 LEU 58 HB2 LEU 58 -9.108 -1.228 -2.875 438 HB3 LEU 58 HB1 LEU 58 -9.055 0.480 -3.261 439 HG LEU 58 HG LEU 58 -8.958 -0.768 -0.518 440 HD11 LEU 58 HD11 LEU 58 -6.766 0.247 -0.407 441 HD12 LEU 58 HD12 LEU 58 -6.979 0.941 -2.014 442 HD13 LEU 58 HD13 LEU 58 -6.874 -0.810 -1.816 443 HD21 LEU 58 HD21 LEU 58 -10.299 1.202 -0.310 444 HD22 LEU 58 HD22 LEU 58 -9.190 2.128 -1.320 445 HD23 LEU 58 HD23 LEU 58 -8.680 1.584 0.279 446 H SER 59 HN SER 59 -11.084 -2.082 -4.248 447 HA SER 59 HA SER 59 -11.382 -0.602 -6.616 448 HB2 SER 59 HB2 SER 59 -12.235 -3.454 -6.048 449 HB3 SER 59 HB1 SER 59 -12.051 -2.742 -7.650 450 HG SER 59 HG SER 59 -10.071 -3.384 -5.745 451 H GLN 60 HN GLN 60 -13.715 -1.908 -4.347 452 HA GLN 60 HA GLN 60 -16.056 -1.563 -5.828 453 HB2 GLN 60 HB2 GLN 60 -16.029 -2.832 -3.772 454 HB3 GLN 60 HB1 GLN 60 -15.582 -1.407 -2.849 455 HG2 GLN 60 HG2 GLN 60 -17.858 -0.517 -3.925 456 HG3 GLN 60 HG1 GLN 60 -18.208 -2.242 -3.908 457 HE21 GLN 60 HE21 GLN 60 -16.202 -0.566 -1.565 458 HE22 GLN 60 HE22 GLN 60 -17.262 -0.787 -0.219 459 H ARG 61 HN ARG 61 -14.652 0.643 -3.381 460 HA ARG 61 HA ARG 61 -16.518 2.717 -3.957 461 HB2 ARG 61 HB2 ARG 61 -14.964 4.160 -2.598 462 HB3 ARG 61 HB1 ARG 61 -15.557 2.723 -1.782 463 HG2 ARG 61 HG2 ARG 61 -13.508 1.777 -1.654 464 HG3 ARG 61 HG1 ARG 61 -12.975 2.469 -3.187 465 HD2 ARG 61 HD2 ARG 61 -13.459 4.310 -0.902 466 HD3 ARG 61 HD1 ARG 61 -12.007 3.310 -0.874 467 HE ARG 61 HE ARG 61 -12.386 4.709 -3.355 468 HH11 ARG 61 HH11 ARG 61 -9.965 6.222 -0.527 469 HH12 ARG 61 HH12 ARG 61 -11.120 4.988 -0.098 470 HH21 ARG 61 HH21 ARG 61 -10.869 6.346 -3.901 471 HH22 ARG 61 HH22 ARG 61 -9.840 6.993 -2.658 472 H ALA 62 HN ALA 62 -13.595 1.718 -5.447 473 HA ALA 62 HA ALA 62 -12.863 4.234 -6.579 474 HB1 ALA 62 HB1 ALA 62 -12.123 1.428 -7.384 475 HB2 ALA 62 HB2 ALA 62 -11.200 2.511 -6.345 476 HB3 ALA 62 HB3 ALA 62 -11.401 2.890 -8.054 477 H MET 63 HN MET 63 -14.887 1.544 -7.630 478 HA MET 63 HA MET 63 -15.281 2.757 -10.236 479 HB2 MET 63 HB2 MET 63 -16.628 0.830 -10.775 480 HB3 MET 63 HB1 MET 63 -15.147 0.297 -9.994 481 HG2 MET 63 HG2 MET 63 -16.366 0.001 -7.895 482 HG3 MET 63 HG1 MET 63 -17.850 0.526 -8.689 483 HE1 MET 63 HE1 MET 63 -14.965 -1.901 -10.102 484 HE2 MET 63 HE2 MET 63 -15.611 -3.427 -9.501 485 HE3 MET 63 HE3 MET 63 -15.109 -2.174 -8.366 486 H ILE 64 HN ILE 64 -16.860 2.740 -7.158 487 HA ILE 64 HA ILE 64 -19.385 3.669 -8.238 488 HB ILE 64 HB ILE 64 -18.494 3.442 -5.354 489 HG12 ILE 64 HG12 ILE 64 -20.335 1.642 -6.948 490 HG13 ILE 64 HG11 ILE 64 -18.638 1.287 -6.634 491 HG21 ILE 64 HG21 ILE 64 -20.881 3.660 -4.825 492 HG22 ILE 64 HG22 ILE 64 -21.234 3.912 -6.533 493 HG23 ILE 64 HG23 ILE 64 -20.268 5.094 -5.649 494 HD11 ILE 64 HD11 ILE 64 -20.773 1.625 -4.544 495 HD12 ILE 64 HD12 ILE 64 -19.080 1.233 -4.248 496 HD13 ILE 64 HD13 ILE 64 -20.113 0.090 -5.110 497 H LEU 65 HN LEU 65 -16.902 5.019 -6.046 498 HA LEU 65 HA LEU 65 -18.046 7.646 -6.193 499 HB2 LEU 65 HB2 LEU 65 -15.696 6.412 -4.866 500 HB3 LEU 65 HB1 LEU 65 -15.636 8.139 -5.150 501 HG LEU 65 HG LEU 65 -17.762 8.392 -3.891 502 HD11 LEU 65 HD11 LEU 65 -17.368 5.487 -3.195 503 HD12 LEU 65 HD12 LEU 65 -18.623 6.116 -4.262 504 HD13 LEU 65 HD13 LEU 65 -18.608 6.566 -2.557 505 HD21 LEU 65 HD21 LEU 65 -15.548 7.011 -2.383 506 HD22 LEU 65 HD22 LEU 65 -16.788 8.052 -1.683 507 HD23 LEU 65 HD23 LEU 65 -15.597 8.723 -2.799 508 H GLY 66 HN GLY 66 -15.341 5.983 -7.719 509 HA2 GLY 66 HA2 GLY 66 -14.702 6.564 -9.957 510 HA3 GLY 66 HA1 GLY 66 -15.174 8.222 -9.617 511 H LYS 67 HN LYS 67 -13.734 7.912 -6.932 512 HA LYS 67 HA LYS 67 -11.160 8.756 -7.984 513 HB2 LYS 67 HB2 LYS 67 -10.701 9.374 -5.572 514 HB3 LYS 67 HB1 LYS 67 -11.991 10.256 -6.374 515 HG2 LYS 67 HG2 LYS 67 -13.660 8.958 -5.228 516 HG3 LYS 67 HG1 LYS 67 -12.421 7.921 -4.517 517 HD2 LYS 67 HD2 LYS 67 -13.091 9.491 -2.851 518 HD3 LYS 67 HD1 LYS 67 -11.482 9.961 -3.402 519 HE2 LYS 67 HE2 LYS 67 -13.627 11.206 -4.936 520 HE3 LYS 67 HE1 LYS 67 -13.687 11.605 -3.220 521 HZ1 LYS 67 HZ1 LYS 67 -12.323 13.120 -4.661 522 HZ2 LYS 67 HZ2 LYS 67 -11.210 11.861 -4.826 523 HZ3 LYS 67 HZ3 LYS 67 -11.534 12.509 -3.299 524 H SER 68 HN SER 68 -9.760 7.226 -8.417 525 HA SER 68 HA SER 68 -9.529 4.928 -6.607 526 HB2 SER 68 HB2 SER 68 -8.054 4.216 -8.749 527 HB3 SER 68 HB1 SER 68 -9.795 3.946 -8.657 528 HG SER 68 HG SER 68 -9.339 4.974 -10.590 529 H GLY 69 HN GLY 69 -8.343 7.674 -6.251 530 HA2 GLY 69 HA2 GLY 69 -5.637 7.805 -6.788 531 HA3 GLY 69 HA1 GLY 69 -6.396 8.528 -5.380 532 H GLU 70 HN GLU 70 -7.082 6.520 -3.784 533 HA GLU 70 HA GLU 70 -4.599 5.617 -2.748 534 HB2 GLU 70 HB2 GLU 70 -7.450 4.942 -2.034 535 HB3 GLU 70 HB1 GLU 70 -6.076 4.261 -1.180 536 HG2 GLU 70 HG2 GLU 70 -6.604 6.024 0.168 537 HG3 GLU 70 HG1 GLU 70 -5.390 6.764 -0.876 538 H LEU 71 HN LEU 71 -6.930 4.228 -4.908 539 HA LEU 71 HA LEU 71 -6.196 1.503 -4.598 540 HB2 LEU 71 HB2 LEU 71 -8.318 2.209 -5.607 541 HB3 LEU 71 HB1 LEU 71 -7.449 2.902 -6.962 542 HG LEU 71 HG LEU 71 -6.556 0.532 -7.380 543 HD11 LEU 71 HD11 LEU 71 -7.182 -0.427 -5.231 544 HD12 LEU 71 HD12 LEU 71 -7.963 -1.284 -6.560 545 HD13 LEU 71 HD13 LEU 71 -8.884 -0.138 -5.590 546 HD21 LEU 71 HD21 LEU 71 -8.215 1.658 -8.789 547 HD22 LEU 71 HD22 LEU 71 -9.499 1.063 -7.739 548 HD23 LEU 71 HD23 LEU 71 -8.521 -0.075 -8.663 549 H LYS 72 HN LYS 72 -5.009 4.135 -6.606 550 HA LYS 72 HA LYS 72 -3.418 2.614 -8.354 551 HB2 LYS 72 HB2 LYS 72 -2.990 5.428 -7.335 552 HB3 LYS 72 HB1 LYS 72 -2.131 4.711 -8.689 553 HG2 LYS 72 HG2 LYS 72 -4.633 4.316 -9.530 554 HG3 LYS 72 HG1 LYS 72 -4.896 5.737 -8.522 555 HD2 LYS 72 HD2 LYS 72 -2.893 5.503 -10.768 556 HD3 LYS 72 HD1 LYS 72 -4.434 6.357 -10.840 557 HE2 LYS 72 HE2 LYS 72 -3.679 7.884 -9.093 558 HE3 LYS 72 HE1 LYS 72 -2.148 7.013 -8.983 559 HZ1 LYS 72 HZ1 LYS 72 -1.751 7.600 -11.332 560 HZ2 LYS 72 HZ2 LYS 72 -1.845 8.948 -10.320 561 HZ3 LYS 72 HZ3 LYS 72 -3.154 8.548 -11.317 562 H THR 73 HN THR 73 -2.570 4.286 -5.337 563 HA THR 73 HA THR 73 0.088 3.404 -5.216 564 HB THR 73 HB THR 73 -1.615 4.025 -2.800 565 HG1 THR 73 HG1 THR 73 -0.252 5.980 -4.342 566 HG21 THR 73 HG21 THR 73 0.658 3.279 -2.343 567 HG22 THR 73 HG22 THR 73 0.498 4.999 -1.975 568 HG23 THR 73 HG23 THR 73 1.296 4.484 -3.461 569 H TRP 74 HN TRP 74 -2.903 2.065 -3.845 570 HA TRP 74 HA TRP 74 -1.764 -0.015 -2.365 571 HB2 TRP 74 HB2 TRP 74 -4.072 0.511 -2.004 572 HB3 TRP 74 HB1 TRP 74 -4.470 0.206 -3.694 573 HD1 TRP 74 HD1 TRP 74 -5.376 -2.146 -4.225 574 HE1 TRP 74 HE1 TRP 74 -5.463 -4.410 -2.993 575 HE3 TRP 74 HE3 TRP 74 -2.567 -0.947 -0.117 576 HZ2 TRP 74 HZ2 TRP 74 -4.473 -5.527 -0.602 577 HZ3 TRP 74 HZ3 TRP 74 -2.186 -2.675 1.591 578 HH2 TRP 74 HH2 TRP 74 -3.122 -4.914 1.353 579 H GLY 75 HN GLY 75 -2.989 -0.025 -5.706 580 HA2 GLY 75 HA2 GLY 75 -2.527 -2.704 -6.308 581 HA3 GLY 75 HA1 GLY 75 -2.509 -1.399 -7.483 582 H LEU 76 HN LEU 76 -0.314 0.039 -6.486 583 HA LEU 76 HA LEU 76 1.827 -1.378 -7.686 584 HB2 LEU 76 HB2 LEU 76 1.717 1.162 -6.065 585 HB3 LEU 76 HB1 LEU 76 3.203 0.546 -6.761 586 HG LEU 76 HG LEU 76 0.767 1.219 -8.405 587 HD11 LEU 76 HD11 LEU 76 1.541 3.235 -7.307 588 HD12 LEU 76 HD12 LEU 76 1.979 3.274 -9.016 589 HD13 LEU 76 HD13 LEU 76 3.199 2.895 -7.800 590 HD21 LEU 76 HD21 LEU 76 2.211 -0.308 -9.534 591 HD22 LEU 76 HD22 LEU 76 3.641 0.619 -9.074 592 HD23 LEU 76 HD23 LEU 76 2.484 1.292 -10.223 593 H VAL 77 HN VAL 77 1.011 -0.600 -4.321 594 HA VAL 77 HA VAL 77 3.309 -1.758 -3.153 595 HB VAL 77 HB VAL 77 0.560 -1.408 -1.936 596 HG11 VAL 77 HG11 VAL 77 1.885 -2.986 -0.658 597 HG12 VAL 77 HG12 VAL 77 1.736 -1.465 0.223 598 HG13 VAL 77 HG13 VAL 77 3.238 -1.851 -0.619 599 HG21 VAL 77 HG21 VAL 77 2.974 0.397 -1.913 600 HG22 VAL 77 HG22 VAL 77 1.520 0.645 -0.947 601 HG23 VAL 77 HG23 VAL 77 1.430 0.707 -2.709 602 H LEU 78 HN LEU 78 0.076 -3.017 -3.805 603 HA LEU 78 HA LEU 78 0.312 -5.536 -2.651 604 HB2 LEU 78 HB2 LEU 78 -1.800 -4.620 -3.442 605 HB3 LEU 78 HB1 LEU 78 -1.230 -4.670 -5.098 606 HG LEU 78 HG LEU 78 -1.081 -7.186 -4.855 607 HD11 LEU 78 HD11 LEU 78 -2.687 -6.610 -2.367 608 HD12 LEU 78 HD12 LEU 78 -1.070 -7.315 -2.429 609 HD13 LEU 78 HD13 LEU 78 -2.445 -8.201 -3.090 610 HD21 LEU 78 HD21 LEU 78 -2.878 -6.095 -6.079 611 HD22 LEU 78 HD22 LEU 78 -3.784 -5.874 -4.582 612 HD23 LEU 78 HD23 LEU 78 -3.487 -7.499 -5.202 613 H GLY 79 HN GLY 79 1.132 -4.469 -5.933 614 HA2 GLY 79 HA2 GLY 79 1.874 -6.981 -6.952 615 HA3 GLY 79 HA1 GLY 79 2.438 -5.429 -7.560 616 H ALA 80 HN ALA 80 3.811 -4.478 -5.357 617 HA ALA 80 HA ALA 80 6.296 -5.786 -5.641 618 HB1 ALA 80 HB1 ALA 80 5.394 -3.759 -3.603 619 HB2 ALA 80 HB2 ALA 80 6.162 -3.420 -5.154 620 HB3 ALA 80 HB3 ALA 80 7.064 -4.242 -3.880 621 H LEU 81 HN LEU 81 3.893 -5.763 -3.035 622 HA LEU 81 HA LEU 81 5.382 -7.332 -1.220 623 HB2 LEU 81 HB2 LEU 81 2.415 -6.859 -1.480 624 HB3 LEU 81 HB1 LEU 81 3.133 -7.762 -0.160 625 HG LEU 81 HG LEU 81 3.585 -4.843 -0.787 626 HD11 LEU 81 HD11 LEU 81 2.219 -6.208 1.529 627 HD12 LEU 81 HD12 LEU 81 1.424 -5.318 0.231 628 HD13 LEU 81 HD13 LEU 81 2.481 -4.472 1.361 629 HD21 LEU 81 HD21 LEU 81 4.806 -6.601 1.337 630 HD22 LEU 81 HD22 LEU 81 4.868 -4.840 1.343 631 HD23 LEU 81 HD23 LEU 81 5.645 -5.745 0.044 632 H LYS 82 HN LYS 82 3.124 -8.160 -3.780 633 HA LYS 82 HA LYS 82 2.780 -10.878 -3.170 634 HB2 LYS 82 HB2 LYS 82 2.398 -9.170 -5.547 635 HB3 LYS 82 HB1 LYS 82 2.612 -10.884 -5.872 636 HG2 LYS 82 HG2 LYS 82 0.765 -11.351 -4.270 637 HG3 LYS 82 HG1 LYS 82 0.501 -9.607 -4.155 638 HD2 LYS 82 HD2 LYS 82 -0.073 -9.453 -6.454 639 HD3 LYS 82 HD1 LYS 82 0.482 -11.097 -6.769 640 HE2 LYS 82 HE2 LYS 82 -1.311 -11.934 -5.281 641 HE3 LYS 82 HE1 LYS 82 -1.899 -10.281 -5.111 642 HZ1 LYS 82 HZ1 LYS 82 -1.699 -11.778 -7.668 643 HZ2 LYS 82 HZ2 LYS 82 -2.301 -10.210 -7.484 644 HZ3 LYS 82 HZ3 LYS 82 -3.123 -11.515 -6.798 645 H ALA 83 HN ALA 83 5.155 -9.276 -5.271 646 HA ALA 83 HA ALA 83 6.456 -11.577 -6.188 647 HB1 ALA 83 HB1 ALA 83 7.720 -8.885 -5.695 648 HB2 ALA 83 HB2 ALA 83 6.747 -9.281 -7.110 649 HB3 ALA 83 HB3 ALA 83 8.269 -10.124 -6.820 650 H ALA 84 HN ALA 84 6.933 -9.639 -3.287 651 HA ALA 84 HA ALA 84 9.277 -10.962 -2.395 652 HB1 ALA 84 HB1 ALA 84 8.850 -9.845 -0.257 653 HB2 ALA 84 HB2 ALA 84 7.253 -9.368 -0.834 654 HB3 ALA 84 HB3 ALA 84 8.698 -8.739 -1.621 655 H ARG 85 HN ARG 85 5.971 -11.849 -2.350 656 HA ARG 85 HA ARG 85 6.276 -13.711 -0.135 657 HB2 ARG 85 HB2 ARG 85 4.001 -12.679 -1.754 658 HB3 ARG 85 HB1 ARG 85 3.832 -14.277 -1.040 659 HG2 ARG 85 HG2 ARG 85 4.610 -11.866 0.565 660 HG3 ARG 85 HG1 ARG 85 2.930 -12.338 0.300 661 HD2 ARG 85 HD2 ARG 85 3.221 -14.382 1.441 662 HD3 ARG 85 HD1 ARG 85 4.977 -14.238 1.410 663 HE ARG 85 HE ARG 85 4.177 -12.069 2.832 664 HH11 ARG 85 HH11 ARG 85 3.436 -15.470 4.839 665 HH12 ARG 85 HH12 ARG 85 3.603 -15.513 3.114 666 HH21 ARG 85 HH21 ARG 85 3.936 -12.008 5.100 667 HH22 ARG 85 HH22 ARG 85 3.626 -13.483 5.967 668 H GLU 86 HN GLU 86 6.321 -13.646 -3.582 669 HA GLU 86 HA GLU 86 5.920 -16.474 -3.918 670 HB2 GLU 86 HB2 GLU 86 6.920 -14.382 -5.859 671 HB3 GLU 86 HB1 GLU 86 6.508 -16.039 -6.280 672 HG2 GLU 86 HG2 GLU 86 4.193 -15.615 -5.529 673 HG3 GLU 86 HG1 GLU 86 4.631 -13.933 -5.228 674 H GLU 87 HN GLU 87 8.662 -14.288 -3.727 675 HA GLU 87 HA GLU 87 10.527 -16.442 -4.322 676 HB2 GLU 87 HB2 GLU 87 10.574 -13.659 -4.672 677 HB3 GLU 87 HB1 GLU 87 11.770 -13.997 -3.427 678 HG2 GLU 87 HG2 GLU 87 12.137 -15.929 -5.436 679 HG3 GLU 87 HG1 GLU 87 11.945 -14.377 -6.250 680 H1 IHP 101 H37 IHP 0 14.615 11.346 0.391 681 H2 IHP 101 H38 IHP 0 13.064 11.963 2.195 682 H3 IHP 101 H39 IHP 0 12.650 12.801 -0.073 683 H4 IHP 101 H40 IHP 0 10.859 10.331 -0.337 684 H5 IHP 101 H41 IHP 0 13.409 11.161 -1.814 685 H6 IHP 101 H42 IHP 0 12.839 8.855 0.120 Start of MODEL 16 1 H1 SER 1 HT1 SER 1 2.865 5.472 10.746 2 H2 SER 1 HT2 SER 1 2.687 4.422 12.058 3 H3 SER 1 HT3 SER 1 3.312 3.850 10.597 4 HA SER 1 HA SER 1 4.589 5.794 12.403 5 HB2 SER 1 HB2 SER 1 6.355 3.804 12.198 6 HB3 SER 1 HB1 SER 1 5.065 3.776 13.399 7 HG SER 1 HG SER 1 5.022 1.829 12.352 8 H GLU 2 HN GLU 2 7.080 5.661 11.694 9 HA GLU 2 HA GLU 2 7.063 6.546 8.897 10 HB2 GLU 2 HB2 GLU 2 9.074 7.813 9.446 11 HB3 GLU 2 HB1 GLU 2 7.775 8.209 10.555 12 HG2 GLU 2 HG2 GLU 2 10.032 6.312 11.177 13 HG3 GLU 2 HG1 GLU 2 9.997 8.015 11.631 14 H ALA 3 HN ALA 3 8.851 4.477 11.158 15 HA ALA 3 HA ALA 3 10.888 3.663 9.430 16 HB1 ALA 3 HB1 ALA 3 10.809 3.276 11.883 17 HB2 ALA 3 HB2 ALA 3 11.290 1.864 10.942 18 HB3 ALA 3 HB3 ALA 3 9.652 1.979 11.590 19 H VAL 4 HN VAL 4 7.678 2.247 9.975 20 HA VAL 4 HA VAL 4 8.031 0.009 8.315 21 HB VAL 4 HB VAL 4 5.428 1.446 8.855 22 HG11 VAL 4 HG11 VAL 4 5.315 -0.202 7.041 23 HG12 VAL 4 HG12 VAL 4 4.395 -0.725 8.453 24 HG13 VAL 4 HG13 VAL 4 5.977 -1.432 8.121 25 HG21 VAL 4 HG21 VAL 4 5.172 -0.135 10.724 26 HG22 VAL 4 HG22 VAL 4 6.555 0.937 10.941 27 HG23 VAL 4 HG23 VAL 4 6.804 -0.731 10.425 28 H ILE 5 HN ILE 5 7.168 3.338 7.597 29 HA ILE 5 HA ILE 5 6.209 2.937 4.976 30 HB ILE 5 HB ILE 5 7.498 5.341 6.274 31 HG12 ILE 5 HG12 ILE 5 4.651 4.679 5.497 32 HG13 ILE 5 HG11 ILE 5 5.297 4.745 7.132 33 HG21 ILE 5 HG21 ILE 5 6.318 5.123 3.507 34 HG22 ILE 5 HG22 ILE 5 7.980 5.532 3.928 35 HG23 ILE 5 HG23 ILE 5 6.673 6.645 4.321 36 HD11 ILE 5 HD11 ILE 5 5.031 7.073 5.236 37 HD12 ILE 5 HD12 ILE 5 5.687 7.146 6.872 38 HD13 ILE 5 HD13 ILE 5 3.993 6.729 6.622 39 H LYS 6 HN LYS 6 9.446 3.572 6.262 40 HA LYS 6 HA LYS 6 10.781 3.702 3.778 41 HB2 LYS 6 HB2 LYS 6 11.836 2.905 6.499 42 HB3 LYS 6 HB1 LYS 6 12.838 3.266 5.099 43 HG2 LYS 6 HG2 LYS 6 10.930 5.212 6.379 44 HG3 LYS 6 HG1 LYS 6 12.666 5.137 6.698 45 HD2 LYS 6 HD2 LYS 6 11.780 5.348 3.871 46 HD3 LYS 6 HD1 LYS 6 11.642 6.783 4.884 47 HE2 LYS 6 HE2 LYS 6 14.054 6.453 5.497 48 HE3 LYS 6 HE1 LYS 6 14.123 5.201 4.261 49 HZ1 LYS 6 HZ1 LYS 6 14.863 7.484 3.571 50 HZ2 LYS 6 HZ2 LYS 6 13.249 7.970 3.678 51 HZ3 LYS 6 HZ3 LYS 6 13.701 6.768 2.578 52 H VAL 7 HN VAL 7 9.959 1.048 5.918 53 HA VAL 7 HA VAL 7 11.469 -0.984 4.694 54 HB VAL 7 HB VAL 7 8.815 -1.202 6.143 55 HG11 VAL 7 HG11 VAL 7 10.855 -3.341 5.539 56 HG12 VAL 7 HG12 VAL 7 9.251 -3.199 4.826 57 HG13 VAL 7 HG13 VAL 7 9.423 -3.541 6.546 58 HG21 VAL 7 HG21 VAL 7 10.579 -0.163 7.490 59 HG22 VAL 7 HG22 VAL 7 11.628 -1.546 7.181 60 HG23 VAL 7 HG23 VAL 7 10.142 -1.756 8.110 61 H ILE 8 HN ILE 8 8.483 0.556 3.829 62 HA ILE 8 HA ILE 8 7.811 -1.437 1.834 63 HB ILE 8 HB ILE 8 6.498 1.191 2.536 64 HG12 ILE 8 HG12 ILE 8 6.312 -0.484 4.308 65 HG13 ILE 8 HG11 ILE 8 4.748 -0.219 3.545 66 HG21 ILE 8 HG21 ILE 8 4.620 0.467 1.157 67 HG22 ILE 8 HG22 ILE 8 5.515 -0.978 0.689 68 HG23 ILE 8 HG23 ILE 8 6.093 0.613 0.197 69 HD11 ILE 8 HD11 ILE 8 6.596 -2.560 3.145 70 HD12 ILE 8 HD12 ILE 8 5.142 -2.271 2.189 71 HD13 ILE 8 HD13 ILE 8 5.013 -2.556 3.926 72 H SER 9 HN SER 9 8.833 1.982 1.919 73 HA SER 9 HA SER 9 8.814 2.344 -0.881 74 HB2 SER 9 HB2 SER 9 10.468 4.262 -0.242 75 HB3 SER 9 HB1 SER 9 8.796 4.340 0.313 76 HG SER 9 HG SER 9 10.215 4.774 2.017 77 H SER 10 HN SER 10 11.358 1.305 1.353 78 HA SER 10 HA SER 10 13.376 1.253 -0.695 79 HB2 SER 10 HB2 SER 10 13.390 0.040 2.078 80 HB3 SER 10 HB1 SER 10 14.795 0.227 1.030 81 HG SER 10 HG SER 10 13.191 2.430 1.814 82 H ALA 11 HN ALA 11 10.761 -0.551 -0.529 83 HA ALA 11 HA ALA 11 12.143 -3.023 -1.330 84 HB1 ALA 11 HB1 ALA 11 9.391 -2.692 -0.139 85 HB2 ALA 11 HB2 ALA 11 10.803 -3.395 0.651 86 HB3 ALA 11 HB3 ALA 11 10.061 -4.211 -0.726 87 H CYS 12 HN CYS 12 9.252 -1.029 -1.949 88 HA CYS 12 HA CYS 12 8.543 -2.319 -4.351 89 HB2 CYS 12 HB2 CYS 12 7.242 -0.177 -4.781 90 HB3 CYS 12 HB1 CYS 12 6.865 -1.035 -3.290 91 HG CYS 12 HG CYS 12 7.687 0.775 -1.591 92 H LYS 13 HN LYS 13 10.690 0.395 -3.678 93 HA LYS 13 HA LYS 13 10.987 1.216 -6.364 94 HB2 LYS 13 HB2 LYS 13 12.685 1.648 -3.917 95 HB3 LYS 13 HB1 LYS 13 13.063 2.361 -5.480 96 HG2 LYS 13 HG2 LYS 13 10.926 3.518 -5.492 97 HG3 LYS 13 HG1 LYS 13 10.503 2.774 -3.949 98 HD2 LYS 13 HD2 LYS 13 12.486 3.893 -2.944 99 HD3 LYS 13 HD1 LYS 13 12.742 4.721 -4.482 100 HE2 LYS 13 HE2 LYS 13 10.433 5.650 -4.280 101 HE3 LYS 13 HE1 LYS 13 10.343 4.942 -2.669 102 HZ1 LYS 13 HZ1 LYS 13 11.003 7.327 -2.742 103 HZ2 LYS 13 HZ2 LYS 13 12.445 6.859 -3.480 104 HZ3 LYS 13 HZ3 LYS 13 12.091 6.331 -1.919 105 H THR 14 HN THR 14 12.212 -1.506 -4.722 106 HA THR 14 HA THR 14 14.433 -1.802 -6.594 107 HB THR 14 HB THR 14 13.962 -4.083 -4.850 108 HG1 THR 14 HG1 THR 14 14.548 -1.617 -3.540 109 HG21 THR 14 HG21 THR 14 16.238 -2.128 -5.197 110 HG22 THR 14 HG22 THR 14 16.086 -3.722 -5.935 111 HG23 THR 14 HG23 THR 14 16.313 -3.574 -4.191 112 H TYR 15 HN TYR 15 11.325 -3.207 -5.757 113 HA TYR 15 HA TYR 15 11.528 -5.371 -7.637 114 HB2 TYR 15 HB2 TYR 15 9.374 -4.326 -5.829 115 HB3 TYR 15 HB1 TYR 15 8.967 -5.473 -7.102 116 HD1 TYR 15 HD1 TYR 15 10.584 -5.008 -3.887 117 HD2 TYR 15 HD2 TYR 15 9.864 -7.753 -7.048 118 HE1 TYR 15 HE1 TYR 15 11.278 -6.851 -2.425 119 HE2 TYR 15 HE2 TYR 15 10.551 -9.619 -5.593 120 HH TYR 15 HH TYR 15 11.736 -10.079 -3.640 121 H CYS 16 HN CYS 16 9.755 -2.298 -7.490 122 HA CYS 16 HA CYS 16 8.808 -2.669 -10.224 123 HB2 CYS 16 HB2 CYS 16 7.286 -1.796 -8.440 124 HB3 CYS 16 HB1 CYS 16 8.309 -0.373 -8.315 125 HG CYS 16 HG CYS 16 5.834 -0.985 -10.403 126 H GLY 17 HN GLY 17 10.663 -0.282 -8.351 127 HA2 GLY 17 HA2 GLY 17 12.786 0.460 -9.362 128 HA3 GLY 17 HA1 GLY 17 11.922 0.546 -10.891 129 H LYS 18 HN LYS 18 12.199 2.697 -11.297 130 HA LYS 18 HA LYS 18 11.641 4.670 -9.268 131 HB2 LYS 18 HB2 LYS 18 11.955 6.275 -11.249 132 HB3 LYS 18 HB1 LYS 18 13.345 5.336 -10.728 133 HG2 LYS 18 HG2 LYS 18 11.842 3.937 -12.759 134 HG3 LYS 18 HG1 LYS 18 12.330 5.542 -13.305 135 HD2 LYS 18 HD2 LYS 18 14.231 3.575 -12.041 136 HD3 LYS 18 HD1 LYS 18 13.967 3.687 -13.781 137 HE2 LYS 18 HE2 LYS 18 14.725 5.974 -13.793 138 HE3 LYS 18 HE1 LYS 18 14.859 5.973 -12.037 139 HZ1 LYS 18 HZ1 LYS 18 17.013 5.663 -12.928 140 HZ2 LYS 18 HZ2 LYS 18 16.491 4.434 -13.962 141 HZ3 LYS 18 HZ3 LYS 18 16.532 4.170 -12.293 142 H THR 19 HN THR 19 9.664 2.759 -10.908 143 HA THR 19 HA THR 19 7.648 4.730 -11.624 144 HB THR 19 HB THR 19 6.435 2.328 -11.968 145 HG1 THR 19 HG1 THR 19 7.922 0.834 -11.732 146 HG21 THR 19 HG21 THR 19 7.174 2.480 -14.335 147 HG22 THR 19 HG22 THR 19 8.362 3.693 -13.855 148 HG23 THR 19 HG23 THR 19 6.638 4.030 -13.686 149 H SER 20 HN SER 20 8.655 3.311 -8.857 150 HA SER 20 HA SER 20 6.229 2.464 -7.643 151 HB2 SER 20 HB2 SER 20 8.727 3.414 -6.232 152 HB3 SER 20 HB1 SER 20 7.534 2.250 -5.650 153 HG SER 20 HG SER 20 9.599 1.927 -7.503 154 HA PRO 21 HA PRO 21 4.574 6.354 -6.355 155 HB2 PRO 21 HB2 PRO 21 3.262 5.694 -4.086 156 HB3 PRO 21 HB1 PRO 21 2.731 5.122 -5.679 157 HG2 PRO 21 HG2 PRO 21 4.253 3.679 -3.572 158 HG3 PRO 21 HG1 PRO 21 2.956 3.095 -4.633 159 HD2 PRO 21 HD2 PRO 21 5.622 2.621 -5.064 160 HD3 PRO 21 HD1 PRO 21 4.392 2.628 -6.340 161 H SER 22 HN SER 22 4.941 8.106 -5.052 162 HA SER 22 HA SER 22 7.348 8.197 -3.588 163 HB2 SER 22 HB2 SER 22 5.093 10.209 -3.488 164 HB3 SER 22 HB1 SER 22 6.810 10.506 -3.214 165 HG SER 22 HG SER 22 7.169 10.501 -5.307 166 H LYS 23 HN LYS 23 7.590 8.804 -1.322 167 HA LYS 23 HA LYS 23 6.319 7.049 0.426 168 HB2 LYS 23 HB2 LYS 23 8.214 7.695 1.433 169 HB3 LYS 23 HB1 LYS 23 8.226 9.254 0.624 170 HG2 LYS 23 HG2 LYS 23 6.154 9.205 2.607 171 HG3 LYS 23 HG1 LYS 23 7.693 8.716 3.319 172 HD2 LYS 23 HD2 LYS 23 8.736 10.734 2.304 173 HD3 LYS 23 HD1 LYS 23 7.132 11.235 1.767 174 HE2 LYS 23 HE2 LYS 23 6.398 11.655 3.919 175 HE3 LYS 23 HE1 LYS 23 7.607 10.594 4.645 176 HZ1 LYS 23 HZ1 LYS 23 7.967 13.320 3.560 177 HZ2 LYS 23 HZ2 LYS 23 9.276 12.276 3.787 178 HZ3 LYS 23 HZ3 LYS 23 8.334 12.741 5.109 179 H LYS 24 HN LYS 24 5.602 10.396 -0.322 180 HA LYS 24 HA LYS 24 3.749 10.946 1.696 181 HB2 LYS 24 HB2 LYS 24 3.276 12.112 -1.001 182 HB3 LYS 24 HB1 LYS 24 3.349 12.903 0.569 183 HG2 LYS 24 HG2 LYS 24 5.870 12.343 0.471 184 HG3 LYS 24 HG1 LYS 24 5.584 12.118 -1.254 185 HD2 LYS 24 HD2 LYS 24 4.542 14.427 -1.240 186 HD3 LYS 24 HD1 LYS 24 5.205 14.612 0.386 187 HE2 LYS 24 HE2 LYS 24 6.698 14.193 -2.191 188 HE3 LYS 24 HE1 LYS 24 6.770 15.584 -1.114 189 HZ1 LYS 24 HZ1 LYS 24 8.679 13.943 -1.007 190 HZ2 LYS 24 HZ2 LYS 24 7.612 12.882 -0.243 191 HZ3 LYS 24 HZ3 LYS 24 7.974 14.371 0.468 192 H GLU 25 HN GLU 25 3.377 9.287 -1.360 193 HA GLU 25 HA GLU 25 0.522 9.227 -1.309 194 HB2 GLU 25 HB2 GLU 25 2.564 7.634 -2.863 195 HB3 GLU 25 HB1 GLU 25 0.829 7.477 -3.097 196 HG2 GLU 25 HG2 GLU 25 2.298 10.081 -3.400 197 HG3 GLU 25 HG1 GLU 25 2.028 8.956 -4.731 198 H ILE 26 HN ILE 26 3.105 6.987 -0.434 199 HA ILE 26 HA ILE 26 1.477 4.780 0.221 200 HB ILE 26 HB ILE 26 4.145 5.420 1.489 201 HG12 ILE 26 HG12 ILE 26 3.635 3.955 -1.112 202 HG13 ILE 26 HG11 ILE 26 4.220 5.610 -1.006 203 HG21 ILE 26 HG21 ILE 26 2.868 3.563 2.466 204 HG22 ILE 26 HG22 ILE 26 4.357 3.017 1.696 205 HG23 ILE 26 HG23 ILE 26 2.807 2.786 0.885 206 HD11 ILE 26 HD11 ILE 26 6.219 4.814 0.160 207 HD12 ILE 26 HD12 ILE 26 6.042 4.086 -1.435 208 HD13 ILE 26 HD13 ILE 26 5.633 3.157 0.008 209 H GLY 27 HN GLY 27 2.684 7.503 2.136 210 HA2 GLY 27 HA2 GLY 27 1.725 6.603 4.645 211 HA3 GLY 27 HA1 GLY 27 2.117 8.266 4.226 212 H ALA 28 HN ALA 28 0.305 8.771 2.219 213 HA ALA 28 HA ALA 28 -2.016 9.421 3.666 214 HB1 ALA 28 HB1 ALA 28 -1.187 10.634 1.663 215 HB2 ALA 28 HB2 ALA 28 -2.903 10.241 1.593 216 HB3 ALA 28 HB3 ALA 28 -1.743 9.290 0.667 217 H MET 29 HN MET 29 -1.361 6.855 1.310 218 HA MET 29 HA MET 29 -3.940 5.801 1.107 219 HB2 MET 29 HB2 MET 29 -2.106 5.175 -0.395 220 HB3 MET 29 HB1 MET 29 -1.284 4.368 0.932 221 HG2 MET 29 HG2 MET 29 -3.478 2.977 1.079 222 HG3 MET 29 HG1 MET 29 -3.713 3.533 -0.578 223 HE1 MET 29 HE1 MET 29 -0.348 2.575 1.359 224 HE2 MET 29 HE2 MET 29 -0.231 0.880 0.885 225 HE3 MET 29 HE3 MET 29 -1.579 1.425 1.881 226 H LEU 30 HN LEU 30 -1.322 5.006 3.360 227 HA LEU 30 HA LEU 30 -2.540 2.871 4.690 228 HB2 LEU 30 HB2 LEU 30 -0.197 3.391 4.984 229 HB3 LEU 30 HB1 LEU 30 -0.586 4.940 5.701 230 HG LEU 30 HG LEU 30 -1.764 3.588 7.542 231 HD11 LEU 30 HD11 LEU 30 -1.784 1.447 6.354 232 HD12 LEU 30 HD12 LEU 30 -0.923 1.331 7.889 233 HD13 LEU 30 HD13 LEU 30 -0.022 1.420 6.376 234 HD21 LEU 30 HD21 LEU 30 0.327 3.325 8.765 235 HD22 LEU 30 HD22 LEU 30 0.326 4.827 7.841 236 HD23 LEU 30 HD23 LEU 30 1.235 3.435 7.258 237 H SER 31 HN SER 31 -2.723 6.351 5.317 238 HA SER 31 HA SER 31 -4.176 6.222 7.713 239 HB2 SER 31 HB2 SER 31 -3.067 8.267 6.963 240 HB3 SER 31 HB1 SER 31 -4.170 8.377 5.589 241 HG SER 31 HG SER 31 -5.440 8.165 8.019 242 H LEU 32 HN LEU 32 -5.270 6.356 4.338 243 HA LEU 32 HA LEU 32 -8.026 6.591 4.903 244 HB2 LEU 32 HB2 LEU 32 -6.406 6.452 2.618 245 HB3 LEU 32 HB1 LEU 32 -7.521 5.109 2.477 246 HG LEU 32 HG LEU 32 -8.403 7.048 1.321 247 HD11 LEU 32 HD11 LEU 32 -10.014 5.564 2.376 248 HD12 LEU 32 HD12 LEU 32 -10.581 7.234 2.416 249 HD13 LEU 32 HD13 LEU 32 -9.912 6.495 3.870 250 HD21 LEU 32 HD21 LEU 32 -9.065 9.060 2.648 251 HD22 LEU 32 HD22 LEU 32 -7.327 8.843 2.451 252 HD23 LEU 32 HD23 LEU 32 -8.099 8.427 3.979 253 H LEU 33 HN LEU 33 -5.897 3.822 4.553 254 HA LEU 33 HA LEU 33 -7.976 1.870 4.569 255 HB2 LEU 33 HB2 LEU 33 -5.047 1.573 5.223 256 HB3 LEU 33 HB1 LEU 33 -6.158 0.260 4.902 257 HG LEU 33 HG LEU 33 -5.245 2.358 2.938 258 HD11 LEU 33 HD11 LEU 33 -4.141 0.557 1.811 259 HD12 LEU 33 HD12 LEU 33 -4.793 -0.620 2.948 260 HD13 LEU 33 HD13 LEU 33 -3.614 0.577 3.491 261 HD21 LEU 33 HD21 LEU 33 -7.212 0.104 2.589 262 HD22 LEU 33 HD22 LEU 33 -6.520 1.050 1.272 263 HD23 LEU 33 HD23 LEU 33 -7.545 1.833 2.474 264 H GLN 34 HN GLN 34 -6.087 3.475 7.026 265 HA GLN 34 HA GLN 34 -6.801 1.667 9.131 266 HB2 GLN 34 HB2 GLN 34 -4.712 3.028 9.088 267 HB3 GLN 34 HB1 GLN 34 -5.685 4.469 9.328 268 HG2 GLN 34 HG2 GLN 34 -6.339 3.771 11.499 269 HG3 GLN 34 HG1 GLN 34 -5.674 2.157 11.247 270 HE21 GLN 34 HE21 GLN 34 -5.108 4.210 13.297 271 HE22 GLN 34 HE22 GLN 34 -3.401 4.468 13.228 272 H LYS 35 HN LYS 35 -7.936 4.859 8.069 273 HA LYS 35 HA LYS 35 -9.738 5.198 10.254 274 HB2 LYS 35 HB2 LYS 35 -10.581 7.119 9.043 275 HB3 LYS 35 HB1 LYS 35 -8.825 7.093 8.988 276 HG2 LYS 35 HG2 LYS 35 -8.806 6.411 6.736 277 HG3 LYS 35 HG1 LYS 35 -10.524 6.014 6.763 278 HD2 LYS 35 HD2 LYS 35 -9.504 8.805 7.224 279 HD3 LYS 35 HD1 LYS 35 -9.861 8.188 5.611 280 HE2 LYS 35 HE2 LYS 35 -12.161 7.797 6.219 281 HE3 LYS 35 HE1 LYS 35 -11.832 8.246 7.891 282 HZ1 LYS 35 HZ1 LYS 35 -11.174 10.479 6.989 283 HZ2 LYS 35 HZ2 LYS 35 -12.816 10.106 6.881 284 HZ3 LYS 35 HZ3 LYS 35 -11.840 10.002 5.509 285 H GLU 36 HN GLU 36 -9.939 3.367 7.374 286 HA GLU 36 HA GLU 36 -12.844 3.442 7.325 287 HB2 GLU 36 HB2 GLU 36 -10.796 2.034 5.616 288 HB3 GLU 36 HB1 GLU 36 -12.522 1.720 5.468 289 HG2 GLU 36 HG2 GLU 36 -11.033 4.259 4.898 290 HG3 GLU 36 HG1 GLU 36 -12.036 3.299 3.811 291 H GLY 37 HN GLY 37 -10.658 1.953 9.221 292 HA2 GLY 37 HA2 GLY 37 -11.005 0.327 10.827 293 HA3 GLY 37 HA1 GLY 37 -12.584 0.020 10.125 294 H LEU 38 HN LEU 38 -10.065 -0.070 7.850 295 HA LEU 38 HA LEU 38 -10.389 -2.925 7.544 296 HB2 LEU 38 HB2 LEU 38 -8.750 -0.908 6.006 297 HB3 LEU 38 HB1 LEU 38 -8.845 -2.610 5.597 298 HG LEU 38 HG LEU 38 -11.269 -0.821 5.689 299 HD11 LEU 38 HD11 LEU 38 -9.565 -1.555 3.310 300 HD12 LEU 38 HD12 LEU 38 -9.690 0.048 4.036 301 HD13 LEU 38 HD13 LEU 38 -11.097 -0.681 3.258 302 HD21 LEU 38 HD21 LEU 38 -12.232 -2.598 4.284 303 HD22 LEU 38 HD22 LEU 38 -11.740 -3.197 5.868 304 HD23 LEU 38 HD23 LEU 38 -10.741 -3.522 4.450 305 H LEU 39 HN LEU 39 -7.755 -0.671 8.265 306 HA LEU 39 HA LEU 39 -6.223 -2.939 9.363 307 HB2 LEU 39 HB2 LEU 39 -5.052 -0.337 8.392 308 HB3 LEU 39 HB1 LEU 39 -4.191 -1.800 8.830 309 HG LEU 39 HG LEU 39 -5.974 -1.473 6.418 310 HD11 LEU 39 HD11 LEU 39 -2.977 -1.689 6.638 311 HD12 LEU 39 HD12 LEU 39 -3.882 -0.224 6.255 312 HD13 LEU 39 HD13 LEU 39 -3.908 -1.595 5.145 313 HD21 LEU 39 HD21 LEU 39 -5.261 -3.664 5.755 314 HD22 LEU 39 HD22 LEU 39 -5.934 -3.773 7.383 315 HD23 LEU 39 HD23 LEU 39 -4.189 -3.787 7.148 316 H MET 40 HN MET 40 -4.988 -2.511 11.274 317 HA MET 40 HA MET 40 -6.030 -0.237 12.836 318 HB2 MET 40 HB2 MET 40 -6.845 -2.410 13.649 319 HB3 MET 40 HB1 MET 40 -5.188 -2.974 13.805 320 HG2 MET 40 HG2 MET 40 -4.913 -0.925 15.379 321 HG3 MET 40 HG1 MET 40 -6.671 -0.996 15.469 322 HE1 MET 40 HE1 MET 40 -3.301 -2.762 16.213 323 HE2 MET 40 HE2 MET 40 -4.039 -3.957 15.148 324 HE3 MET 40 HE3 MET 40 -3.802 -4.326 16.854 325 H SER 41 HN SER 41 -3.276 -2.257 12.077 326 HA SER 41 HA SER 41 -1.503 -0.224 13.269 327 HB2 SER 41 HB2 SER 41 0.052 -2.424 13.375 328 HB3 SER 41 HB1 SER 41 -1.024 -1.965 14.697 329 HG SER 41 HG SER 41 -2.207 -3.474 12.695 330 HA PRO 42 HA PRO 42 0.458 0.010 9.313 331 HB2 PRO 42 HB2 PRO 42 3.060 0.452 9.963 332 HB3 PRO 42 HB1 PRO 42 1.794 1.678 10.185 333 HG2 PRO 42 HG2 PRO 42 3.034 -0.137 12.188 334 HG3 PRO 42 HG1 PRO 42 2.593 1.574 12.331 335 HD2 PRO 42 HD2 PRO 42 1.061 -0.423 13.345 336 HD3 PRO 42 HD1 PRO 42 0.394 1.119 12.775 337 H SER 43 HN SER 43 1.156 -2.506 11.456 338 HA SER 43 HA SER 43 2.976 -3.879 9.631 339 HB2 SER 43 HB2 SER 43 2.517 -5.583 11.747 340 HB3 SER 43 HB1 SER 43 3.846 -4.424 11.639 341 HG SER 43 HG SER 43 1.805 -4.459 13.356 342 H ASP 44 HN ASP 44 -0.225 -3.481 9.785 343 HA ASP 44 HA ASP 44 -1.236 -6.138 9.655 344 HB2 ASP 44 HB2 ASP 44 -2.326 -3.423 9.091 345 HB3 ASP 44 HB1 ASP 44 -3.158 -4.799 8.378 346 H LEU 45 HN LEU 45 0.431 -4.165 7.461 347 HA LEU 45 HA LEU 45 -0.601 -5.187 5.016 348 HB2 LEU 45 HB2 LEU 45 1.310 -3.245 5.854 349 HB3 LEU 45 HB1 LEU 45 2.080 -4.303 4.692 350 HG LEU 45 HG LEU 45 1.190 -2.394 3.544 351 HD11 LEU 45 HD11 LEU 45 -0.717 -4.636 2.950 352 HD12 LEU 45 HD12 LEU 45 0.998 -4.724 2.551 353 HD13 LEU 45 HD13 LEU 45 -0.007 -3.466 1.836 354 HD21 LEU 45 HD21 LEU 45 -1.233 -1.918 3.533 355 HD22 LEU 45 HD22 LEU 45 -0.501 -1.694 5.119 356 HD23 LEU 45 HD23 LEU 45 -1.458 -3.138 4.786 357 H TYR 46 HN TYR 46 1.418 -6.562 7.361 358 HA TYR 46 HA TYR 46 3.077 -8.116 5.615 359 HB2 TYR 46 HB2 TYR 46 2.529 -8.152 8.567 360 HB3 TYR 46 HB1 TYR 46 3.469 -9.431 7.812 361 HD1 TYR 46 HD1 TYR 46 5.390 -8.454 6.173 362 HD2 TYR 46 HD2 TYR 46 3.717 -6.432 9.521 363 HE1 TYR 46 HE1 TYR 46 7.421 -7.077 6.351 364 HE2 TYR 46 HE2 TYR 46 5.741 -5.048 9.705 365 HH TYR 46 HH TYR 46 8.024 -5.039 9.079 366 H SER 47 HN SER 47 -0.125 -8.448 6.811 367 HA SER 47 HA SER 47 -0.208 -11.331 6.523 368 HB2 SER 47 HB2 SER 47 -2.499 -9.413 6.980 369 HB3 SER 47 HB1 SER 47 -2.503 -11.154 7.245 370 HG SER 47 HG SER 47 -0.466 -10.104 8.609 371 HA PRO 48 HA PRO 48 -1.071 -10.787 2.134 372 HB2 PRO 48 HB2 PRO 48 -0.944 -13.415 1.483 373 HB3 PRO 48 HB1 PRO 48 0.503 -12.438 1.789 374 HG2 PRO 48 HG2 PRO 48 -0.883 -14.365 3.585 375 HG3 PRO 48 HG1 PRO 48 0.853 -14.116 3.318 376 HD2 PRO 48 HD2 PRO 48 -0.479 -13.109 5.463 377 HD3 PRO 48 HD1 PRO 48 0.961 -12.347 4.762 378 H GLY 49 HN GLY 49 -2.827 -12.846 4.358 379 HA2 GLY 49 HA2 GLY 49 -4.922 -13.529 2.539 380 HA3 GLY 49 HA1 GLY 49 -4.958 -13.713 4.285 381 H SER 50 HN SER 50 -4.277 -10.787 4.539 382 HA SER 50 HA SER 50 -7.019 -9.874 4.511 383 HB2 SER 50 HB2 SER 50 -4.605 -8.288 5.384 384 HB3 SER 50 HB1 SER 50 -6.281 -8.105 5.908 385 HG SER 50 HG SER 50 -5.233 -9.206 7.514 386 H TRP 51 HN TRP 51 -4.460 -9.798 2.345 387 HA TRP 51 HA TRP 51 -4.666 -7.183 1.296 388 HB2 TRP 51 HB2 TRP 51 -3.717 -9.768 0.065 389 HB3 TRP 51 HB1 TRP 51 -3.635 -8.221 -0.769 390 HD1 TRP 51 HD1 TRP 51 -2.832 -6.984 2.389 391 HE1 TRP 51 HE1 TRP 51 -0.307 -7.070 2.930 392 HE3 TRP 51 HE3 TRP 51 -1.355 -10.358 -1.158 393 HZ2 TRP 51 HZ2 TRP 51 1.989 -8.383 1.965 394 HZ3 TRP 51 HZ3 TRP 51 1.031 -10.972 -1.288 395 HH2 TRP 51 HH2 TRP 51 2.665 -10.000 0.248 396 H ASP 52 HN ASP 52 -6.464 -10.130 0.656 397 HA ASP 52 HA ASP 52 -7.671 -9.376 -1.747 398 HB2 ASP 52 HB2 ASP 52 -8.360 -11.346 0.385 399 HB3 ASP 52 HB1 ASP 52 -9.548 -10.995 -0.865 400 HA PRO 53 HA PRO 53 -11.526 -7.748 0.784 401 HB2 PRO 53 HB2 PRO 53 -10.774 -6.844 3.324 402 HB3 PRO 53 HB1 PRO 53 -11.706 -8.310 2.979 403 HG2 PRO 53 HG2 PRO 53 -8.825 -8.013 3.579 404 HG3 PRO 53 HG1 PRO 53 -9.947 -9.325 3.991 405 HD2 PRO 53 HD2 PRO 53 -8.137 -9.586 2.026 406 HD3 PRO 53 HD1 PRO 53 -9.744 -10.334 1.931 407 H ILE 54 HN ILE 54 -8.294 -6.487 1.530 408 HA ILE 54 HA ILE 54 -8.987 -3.759 1.590 409 HB ILE 54 HB ILE 54 -6.345 -4.938 0.713 410 HG12 ILE 54 HG12 ILE 54 -7.251 -4.108 3.478 411 HG13 ILE 54 HG11 ILE 54 -7.066 -5.767 2.930 412 HG21 ILE 54 HG21 ILE 54 -5.449 -2.757 1.562 413 HG22 ILE 54 HG22 ILE 54 -7.117 -2.200 1.714 414 HG23 ILE 54 HG23 ILE 54 -6.469 -2.618 0.130 415 HD11 ILE 54 HD11 ILE 54 -5.160 -5.151 4.246 416 HD12 ILE 54 HD12 ILE 54 -4.882 -3.727 3.246 417 HD13 ILE 54 HD13 ILE 54 -4.662 -5.338 2.565 418 H THR 55 HN THR 55 -7.648 -5.763 -1.024 419 HA THR 55 HA THR 55 -7.672 -3.795 -3.019 420 HB THR 55 HB THR 55 -8.066 -6.750 -3.522 421 HG1 THR 55 HG1 THR 55 -6.314 -6.567 -2.103 422 HG21 THR 55 HG21 THR 55 -6.754 -6.290 -5.543 423 HG22 THR 55 HG22 THR 55 -6.639 -4.590 -5.083 424 HG23 THR 55 HG23 THR 55 -8.208 -5.292 -5.484 425 H ALA 56 HN ALA 56 -10.089 -6.147 -2.000 426 HA ALA 56 HA ALA 56 -11.974 -5.695 -4.034 427 HB1 ALA 56 HB1 ALA 56 -12.430 -6.603 -1.194 428 HB2 ALA 56 HB2 ALA 56 -12.064 -7.639 -2.575 429 HB3 ALA 56 HB3 ALA 56 -13.581 -6.741 -2.521 430 H ALA 57 HN ALA 57 -11.833 -4.370 -0.727 431 HA ALA 57 HA ALA 57 -14.060 -2.702 -0.920 432 HB1 ALA 57 HB1 ALA 57 -12.887 -3.280 1.178 433 HB2 ALA 57 HB2 ALA 57 -13.192 -1.552 1.008 434 HB3 ALA 57 HB3 ALA 57 -11.578 -2.195 0.710 435 H LEU 58 HN LEU 58 -10.647 -2.000 -1.602 436 HA LEU 58 HA LEU 58 -11.007 0.717 -2.235 437 HB2 LEU 58 HB2 LEU 58 -8.906 -1.288 -2.997 438 HB3 LEU 58 HB1 LEU 58 -8.836 0.374 -3.546 439 HG LEU 58 HG LEU 58 -8.911 -0.436 -0.640 440 HD11 LEU 58 HD11 LEU 58 -6.533 0.055 -0.588 441 HD12 LEU 58 HD12 LEU 58 -6.545 0.370 -2.322 442 HD13 LEU 58 HD13 LEU 58 -6.874 -1.254 -1.718 443 HD21 LEU 58 HD21 LEU 58 -9.731 1.795 -0.976 444 HD22 LEU 58 HD22 LEU 58 -8.367 2.186 -2.023 445 HD23 LEU 58 HD23 LEU 58 -8.104 1.886 -0.305 446 H SER 59 HN SER 59 -10.978 -2.188 -4.287 447 HA SER 59 HA SER 59 -11.272 -0.851 -6.747 448 HB2 SER 59 HB2 SER 59 -10.619 -3.284 -6.367 449 HB3 SER 59 HB1 SER 59 -12.332 -3.610 -6.109 450 HG SER 59 HG SER 59 -12.463 -3.754 -8.196 451 H GLN 60 HN GLN 60 -13.616 -2.139 -4.447 452 HA GLN 60 HA GLN 60 -15.933 -1.693 -5.971 453 HB2 GLN 60 HB2 GLN 60 -15.723 -3.108 -3.890 454 HB3 GLN 60 HB1 GLN 60 -15.738 -1.617 -2.960 455 HG2 GLN 60 HG2 GLN 60 -17.954 -1.092 -3.947 456 HG3 GLN 60 HG1 GLN 60 -17.933 -2.675 -4.720 457 HE21 GLN 60 HE21 GLN 60 -16.688 -1.995 -1.521 458 HE22 GLN 60 HE22 GLN 60 -17.865 -2.917 -0.658 459 H ARG 61 HN ARG 61 -14.466 0.317 -3.388 460 HA ARG 61 HA ARG 61 -16.372 2.389 -3.636 461 HB2 ARG 61 HB2 ARG 61 -14.918 3.721 -2.245 462 HB3 ARG 61 HB1 ARG 61 -14.963 2.080 -1.628 463 HG2 ARG 61 HG2 ARG 61 -12.794 1.660 -2.748 464 HG3 ARG 61 HG1 ARG 61 -12.751 3.363 -3.209 465 HD2 ARG 61 HD2 ARG 61 -12.930 2.341 -0.378 466 HD3 ARG 61 HD1 ARG 61 -11.441 2.860 -1.162 467 HE ARG 61 HE ARG 61 -13.687 4.583 -0.373 468 HH11 ARG 61 HH11 ARG 61 -10.015 5.897 -1.371 469 HH12 ARG 61 HH12 ARG 61 -10.426 4.225 -1.588 470 HH21 ARG 61 HH21 ARG 61 -13.166 6.794 -0.107 471 HH22 ARG 61 HH22 ARG 61 -11.579 7.355 -0.523 472 H ALA 62 HN ALA 62 -13.476 1.668 -5.419 473 HA ALA 62 HA ALA 62 -13.127 4.262 -6.541 474 HB1 ALA 62 HB1 ALA 62 -11.290 2.671 -6.468 475 HB2 ALA 62 HB2 ALA 62 -11.630 3.144 -8.135 476 HB3 ALA 62 HB3 ALA 62 -12.174 1.578 -7.536 477 H MET 63 HN MET 63 -14.811 1.332 -7.587 478 HA MET 63 HA MET 63 -15.574 2.503 -10.110 479 HB2 MET 63 HB2 MET 63 -16.645 0.437 -10.597 480 HB3 MET 63 HB1 MET 63 -15.144 0.048 -9.776 481 HG2 MET 63 HG2 MET 63 -16.362 -0.333 -7.702 482 HG3 MET 63 HG1 MET 63 -17.870 0.095 -8.503 483 HE1 MET 63 HE1 MET 63 -15.104 -2.646 -8.015 484 HE2 MET 63 HE2 MET 63 -14.773 -2.047 -9.640 485 HE3 MET 63 HE3 MET 63 -15.386 -3.687 -9.410 486 H ILE 64 HN ILE 64 -16.686 2.915 -7.017 487 HA ILE 64 HA ILE 64 -19.439 3.420 -7.926 488 HB ILE 64 HB ILE 64 -18.365 2.940 -5.147 489 HG12 ILE 64 HG12 ILE 64 -20.400 1.452 -6.828 490 HG13 ILE 64 HG11 ILE 64 -18.740 0.942 -6.537 491 HG21 ILE 64 HG21 ILE 64 -20.760 3.153 -4.421 492 HG22 ILE 64 HG22 ILE 64 -21.107 3.852 -6.002 493 HG23 ILE 64 HG23 ILE 64 -19.994 4.668 -4.904 494 HD11 ILE 64 HD11 ILE 64 -20.935 1.178 -4.495 495 HD12 ILE 64 HD12 ILE 64 -19.257 0.775 -4.128 496 HD13 ILE 64 HD13 ILE 64 -20.225 -0.307 -5.129 497 H LEU 65 HN LEU 65 -16.852 4.834 -5.911 498 HA LEU 65 HA LEU 65 -18.163 7.343 -5.636 499 HB2 LEU 65 HB2 LEU 65 -16.225 6.237 -4.245 500 HB3 LEU 65 HB1 LEU 65 -15.196 7.055 -5.404 501 HG LEU 65 HG LEU 65 -16.344 9.207 -4.762 502 HD11 LEU 65 HD11 LEU 65 -17.460 7.458 -2.576 503 HD12 LEU 65 HD12 LEU 65 -18.377 8.322 -3.812 504 HD13 LEU 65 HD13 LEU 65 -17.497 9.220 -2.576 505 HD21 LEU 65 HD21 LEU 65 -14.131 8.557 -3.911 506 HD22 LEU 65 HD22 LEU 65 -14.907 7.745 -2.551 507 HD23 LEU 65 HD23 LEU 65 -15.050 9.493 -2.734 508 H GLY 66 HN GLY 66 -15.669 6.107 -7.825 509 HA2 GLY 66 HA2 GLY 66 -15.765 6.928 -10.124 510 HA3 GLY 66 HA1 GLY 66 -16.111 8.518 -9.472 511 H LYS 67 HN LYS 67 -13.846 7.406 -7.427 512 HA LYS 67 HA LYS 67 -11.624 8.232 -9.164 513 HB2 LYS 67 HB2 LYS 67 -10.643 9.544 -7.407 514 HB3 LYS 67 HB1 LYS 67 -12.296 10.080 -7.641 515 HG2 LYS 67 HG2 LYS 67 -12.717 9.767 -5.495 516 HG3 LYS 67 HG1 LYS 67 -12.286 8.061 -5.635 517 HD2 LYS 67 HD2 LYS 67 -10.041 8.473 -5.070 518 HD3 LYS 67 HD1 LYS 67 -10.202 10.209 -5.348 519 HE2 LYS 67 HE2 LYS 67 -11.829 8.861 -3.228 520 HE3 LYS 67 HE1 LYS 67 -10.151 9.292 -2.915 521 HZ1 LYS 67 HZ1 LYS 67 -11.811 10.997 -2.242 522 HZ2 LYS 67 HZ2 LYS 67 -12.184 11.231 -3.871 523 HZ3 LYS 67 HZ3 LYS 67 -10.628 11.571 -3.302 524 H SER 68 HN SER 68 -9.580 7.329 -8.699 525 HA SER 68 HA SER 68 -9.595 5.064 -6.825 526 HB2 SER 68 HB2 SER 68 -8.258 4.965 -9.527 527 HB3 SER 68 HB1 SER 68 -8.574 3.628 -8.423 528 HG SER 68 HG SER 68 -10.642 5.171 -9.597 529 H GLY 69 HN GLY 69 -8.595 7.327 -5.921 530 HA2 GLY 69 HA2 GLY 69 -5.918 7.935 -6.621 531 HA3 GLY 69 HA1 GLY 69 -6.727 8.412 -5.137 532 H GLU 70 HN GLU 70 -7.172 6.278 -3.717 533 HA GLU 70 HA GLU 70 -4.598 5.448 -2.852 534 HB2 GLU 70 HB2 GLU 70 -7.346 4.435 -2.095 535 HB3 GLU 70 HB1 GLU 70 -5.859 3.973 -1.279 536 HG2 GLU 70 HG2 GLU 70 -6.698 5.624 0.092 537 HG3 GLU 70 HG1 GLU 70 -5.549 6.512 -0.907 538 H LEU 71 HN LEU 71 -6.989 4.068 -4.969 539 HA LEU 71 HA LEU 71 -6.240 1.379 -4.924 540 HB2 LEU 71 HB2 LEU 71 -7.962 3.015 -6.435 541 HB3 LEU 71 HB1 LEU 71 -6.934 2.196 -7.592 542 HG LEU 71 HG LEU 71 -8.956 1.042 -5.710 543 HD11 LEU 71 HD11 LEU 71 -9.664 1.516 -7.953 544 HD12 LEU 71 HD12 LEU 71 -9.545 -0.232 -7.742 545 HD13 LEU 71 HD13 LEU 71 -8.285 0.637 -8.616 546 HD21 LEU 71 HD21 LEU 71 -6.478 -0.315 -6.701 547 HD22 LEU 71 HD22 LEU 71 -7.963 -1.227 -6.446 548 HD23 LEU 71 HD23 LEU 71 -7.215 -0.369 -5.098 549 H LYS 72 HN LYS 72 -4.900 4.090 -6.749 550 HA LYS 72 HA LYS 72 -3.209 2.581 -8.432 551 HB2 LYS 72 HB2 LYS 72 -3.090 5.430 -7.470 552 HB3 LYS 72 HB1 LYS 72 -1.913 4.765 -8.593 553 HG2 LYS 72 HG2 LYS 72 -3.867 4.169 -10.080 554 HG3 LYS 72 HG1 LYS 72 -4.858 5.162 -9.010 555 HD2 LYS 72 HD2 LYS 72 -2.391 6.135 -10.446 556 HD3 LYS 72 HD1 LYS 72 -4.041 6.377 -11.019 557 HE2 LYS 72 HE2 LYS 72 -4.585 7.736 -9.155 558 HE3 LYS 72 HE1 LYS 72 -3.108 7.286 -8.307 559 HZ1 LYS 72 HZ1 LYS 72 -3.304 8.945 -10.760 560 HZ2 LYS 72 HZ2 LYS 72 -1.850 8.423 -10.072 561 HZ3 LYS 72 HZ3 LYS 72 -2.862 9.470 -9.213 562 H THR 73 HN THR 73 -2.599 4.236 -5.355 563 HA THR 73 HA THR 73 0.114 3.542 -5.129 564 HB THR 73 HB THR 73 -1.645 3.902 -2.726 565 HG1 THR 73 HG1 THR 73 -0.855 5.930 -4.581 566 HG21 THR 73 HG21 THR 73 1.103 4.925 -3.451 567 HG22 THR 73 HG22 THR 73 0.759 3.548 -2.401 568 HG23 THR 73 HG23 THR 73 0.282 5.174 -1.910 569 H TRP 74 HN TRP 74 -2.831 2.020 -3.864 570 HA TRP 74 HA TRP 74 -1.647 -0.010 -2.372 571 HB2 TRP 74 HB2 TRP 74 -3.987 0.399 -2.113 572 HB3 TRP 74 HB1 TRP 74 -4.293 0.093 -3.820 573 HD1 TRP 74 HD1 TRP 74 -5.211 -2.243 -4.327 574 HE1 TRP 74 HE1 TRP 74 -5.222 -4.531 -3.135 575 HE3 TRP 74 HE3 TRP 74 -2.322 -1.062 -0.281 576 HZ2 TRP 74 HZ2 TRP 74 -4.155 -5.669 -0.790 577 HZ3 TRP 74 HZ3 TRP 74 -1.870 -2.808 1.393 578 HH2 TRP 74 HH2 TRP 74 -2.767 -5.059 1.144 579 H GLY 75 HN GLY 75 -2.797 -0.111 -5.753 580 HA2 GLY 75 HA2 GLY 75 -2.133 -2.751 -6.326 581 HA3 GLY 75 HA1 GLY 75 -2.184 -1.458 -7.511 582 H LEU 76 HN LEU 76 -0.077 0.114 -6.441 583 HA LEU 76 HA LEU 76 2.129 -1.183 -7.665 584 HB2 LEU 76 HB2 LEU 76 1.915 1.342 -6.033 585 HB3 LEU 76 HB1 LEU 76 3.409 0.802 -6.777 586 HG LEU 76 HG LEU 76 0.883 1.363 -8.332 587 HD11 LEU 76 HD11 LEU 76 1.757 3.383 -7.174 588 HD12 LEU 76 HD12 LEU 76 1.802 3.487 -8.934 589 HD13 LEU 76 HD13 LEU 76 3.281 3.162 -8.030 590 HD21 LEU 76 HD21 LEU 76 3.755 0.950 -9.161 591 HD22 LEU 76 HD22 LEU 76 2.445 1.427 -10.239 592 HD23 LEU 76 HD23 LEU 76 2.406 -0.147 -9.451 593 H VAL 77 HN VAL 77 1.342 -0.435 -4.281 594 HA VAL 77 HA VAL 77 3.734 -1.528 -3.195 595 HB VAL 77 HB VAL 77 1.041 -1.066 -1.900 596 HG11 VAL 77 HG11 VAL 77 2.297 -2.706 -0.631 597 HG12 VAL 77 HG12 VAL 77 2.248 -1.171 0.239 598 HG13 VAL 77 HG13 VAL 77 3.709 -1.650 -0.622 599 HG21 VAL 77 HG21 VAL 77 3.557 0.601 -1.893 600 HG22 VAL 77 HG22 VAL 77 2.095 0.947 -0.968 601 HG23 VAL 77 HG23 VAL 77 2.051 0.982 -2.729 602 H LEU 78 HN LEU 78 0.467 -2.780 -3.647 603 HA LEU 78 HA LEU 78 0.754 -5.273 -2.430 604 HB2 LEU 78 HB2 LEU 78 -1.405 -4.409 -3.032 605 HB3 LEU 78 HB1 LEU 78 -0.972 -4.367 -4.730 606 HG LEU 78 HG LEU 78 -0.796 -6.894 -4.623 607 HD11 LEU 78 HD11 LEU 78 -2.163 -6.414 -1.981 608 HD12 LEU 78 HD12 LEU 78 -0.606 -7.199 -2.243 609 HD13 LEU 78 HD13 LEU 78 -2.088 -7.969 -2.812 610 HD21 LEU 78 HD21 LEU 78 -2.673 -5.740 -5.653 611 HD22 LEU 78 HD22 LEU 78 -3.468 -5.605 -4.085 612 HD23 LEU 78 HD23 LEU 78 -3.216 -7.192 -4.813 613 H GLY 79 HN GLY 79 1.307 -4.311 -5.797 614 HA2 GLY 79 HA2 GLY 79 1.920 -6.846 -6.825 615 HA3 GLY 79 HA1 GLY 79 2.472 -5.319 -7.494 616 H ALA 80 HN ALA 80 3.976 -4.458 -5.242 617 HA ALA 80 HA ALA 80 6.421 -5.823 -5.769 618 HB1 ALA 80 HB1 ALA 80 5.771 -3.719 -3.706 619 HB2 ALA 80 HB2 ALA 80 6.399 -3.437 -5.330 620 HB3 ALA 80 HB3 ALA 80 7.394 -4.267 -4.133 621 H LEU 81 HN LEU 81 4.194 -5.715 -3.016 622 HA LEU 81 HA LEU 81 5.816 -7.319 -1.317 623 HB2 LEU 81 HB2 LEU 81 2.950 -6.458 -1.256 624 HB3 LEU 81 HB1 LEU 81 3.545 -7.642 -0.110 625 HG LEU 81 HG LEU 81 4.535 -4.810 -0.427 626 HD11 LEU 81 HD11 LEU 81 2.920 -6.195 1.699 627 HD12 LEU 81 HD12 LEU 81 2.444 -4.823 0.699 628 HD13 LEU 81 HD13 LEU 81 3.697 -4.628 1.922 629 HD21 LEU 81 HD21 LEU 81 5.505 -7.075 1.292 630 HD22 LEU 81 HD22 LEU 81 5.836 -5.383 1.663 631 HD23 LEU 81 HD23 LEU 81 6.430 -6.090 0.159 632 H LYS 82 HN LYS 82 3.238 -8.057 -3.607 633 HA LYS 82 HA LYS 82 2.884 -10.753 -2.878 634 HB2 LYS 82 HB2 LYS 82 2.383 -9.220 -5.415 635 HB3 LYS 82 HB1 LYS 82 2.153 -10.960 -5.366 636 HG2 LYS 82 HG2 LYS 82 0.727 -10.309 -3.218 637 HG3 LYS 82 HG1 LYS 82 0.574 -8.800 -4.117 638 HD2 LYS 82 HD2 LYS 82 -0.290 -10.003 -6.037 639 HD3 LYS 82 HD1 LYS 82 -0.061 -11.539 -5.202 640 HE2 LYS 82 HE2 LYS 82 -1.615 -10.593 -3.411 641 HE3 LYS 82 HE1 LYS 82 -2.021 -9.346 -4.591 642 HZ1 LYS 82 HZ1 LYS 82 -2.384 -12.278 -4.918 643 HZ2 LYS 82 HZ2 LYS 82 -2.675 -11.137 -6.132 644 HZ3 LYS 82 HZ3 LYS 82 -3.607 -11.129 -4.720 645 H ALA 83 HN ALA 83 4.981 -9.238 -5.305 646 HA ALA 83 HA ALA 83 6.151 -11.612 -6.268 647 HB1 ALA 83 HB1 ALA 83 7.355 -8.846 -6.210 648 HB2 ALA 83 HB2 ALA 83 6.250 -9.451 -7.445 649 HB3 ALA 83 HB3 ALA 83 7.842 -10.185 -7.251 650 H ALA 84 HN ALA 84 6.839 -9.600 -3.508 651 HA ALA 84 HA ALA 84 9.405 -10.680 -2.909 652 HB1 ALA 84 HB1 ALA 84 9.104 -9.577 -0.726 653 HB2 ALA 84 HB2 ALA 84 7.435 -9.214 -1.158 654 HB3 ALA 84 HB3 ALA 84 8.758 -8.503 -2.081 655 H ARG 85 HN ARG 85 6.162 -11.718 -2.326 656 HA ARG 85 HA ARG 85 6.984 -13.586 -0.243 657 HB2 ARG 85 HB2 ARG 85 4.352 -12.720 -1.365 658 HB3 ARG 85 HB1 ARG 85 4.464 -14.228 -0.466 659 HG2 ARG 85 HG2 ARG 85 5.512 -12.875 1.396 660 HG3 ARG 85 HG1 ARG 85 5.003 -11.440 0.504 661 HD2 ARG 85 HD2 ARG 85 2.740 -11.953 0.748 662 HD3 ARG 85 HD1 ARG 85 3.071 -13.632 1.165 663 HE ARG 85 HE ARG 85 3.334 -11.308 2.934 664 HH11 ARG 85 HH11 ARG 85 3.545 -15.135 4.148 665 HH12 ARG 85 HH12 ARG 85 3.536 -14.770 2.453 666 HH21 ARG 85 HH21 ARG 85 3.279 -11.790 5.171 667 HH22 ARG 85 HH22 ARG 85 3.397 -13.441 5.692 668 H GLU 86 HN GLU 86 6.120 -13.539 -3.610 669 HA GLU 86 HA GLU 86 5.756 -16.380 -3.821 670 HB2 GLU 86 HB2 GLU 86 6.060 -14.225 -5.910 671 HB3 GLU 86 HB1 GLU 86 5.757 -15.916 -6.285 672 HG2 GLU 86 HG2 GLU 86 3.660 -15.802 -5.017 673 HG3 GLU 86 HG1 GLU 86 3.960 -14.097 -4.688 674 H GLU 87 HN GLU 87 8.456 -14.738 -3.176 675 HA GLU 87 HA GLU 87 10.128 -16.735 -4.508 676 HB2 GLU 87 HB2 GLU 87 10.121 -14.431 -5.687 677 HB3 GLU 87 HB1 GLU 87 11.038 -13.874 -4.296 678 HG2 GLU 87 HG2 GLU 87 12.424 -16.097 -4.978 679 HG3 GLU 87 HG1 GLU 87 11.857 -15.550 -6.556 680 H1 IHP 101 H37 IHP 0 14.533 11.069 0.999 681 H2 IHP 101 H38 IHP 0 12.804 11.556 2.714 682 H3 IHP 101 H39 IHP 0 12.572 12.537 0.473 683 H4 IHP 101 H40 IHP 0 10.856 10.081 -0.061 684 H5 IHP 101 H41 IHP 0 13.500 11.035 -1.270 685 H6 IHP 101 H42 IHP 0 12.827 8.587 0.438 Start of MODEL 17 1 H1 SER 1 HT1 SER 1 4.771 4.099 10.106 2 H2 SER 1 HT2 SER 1 4.112 5.624 9.790 3 H3 SER 1 HT3 SER 1 3.333 4.569 10.852 4 HA SER 1 HA SER 1 4.488 6.334 12.015 5 HB2 SER 1 HB2 SER 1 6.155 4.181 12.941 6 HB3 SER 1 HB1 SER 1 4.702 4.854 13.681 7 HG SER 1 HG SER 1 3.808 3.024 13.172 8 H GLU 2 HN GLU 2 7.077 4.010 11.142 9 HA GLU 2 HA GLU 2 8.623 6.116 9.901 10 HB2 GLU 2 HB2 GLU 2 10.570 5.402 11.587 11 HB3 GLU 2 HB1 GLU 2 9.481 6.742 11.912 12 HG2 GLU 2 HG2 GLU 2 8.101 5.299 13.311 13 HG3 GLU 2 HG1 GLU 2 9.167 3.940 12.973 14 H ALA 3 HN ALA 3 9.470 3.061 11.519 15 HA ALA 3 HA ALA 3 11.300 2.196 9.623 16 HB1 ALA 3 HB1 ALA 3 11.091 1.281 11.901 17 HB2 ALA 3 HB2 ALA 3 11.176 0.033 10.659 18 HB3 ALA 3 HB3 ALA 3 9.628 0.434 11.401 19 H VAL 4 HN VAL 4 7.894 1.160 9.962 20 HA VAL 4 HA VAL 4 7.831 -0.610 7.823 21 HB VAL 4 HB VAL 4 5.587 1.135 8.850 22 HG11 VAL 4 HG11 VAL 4 5.101 0.266 6.610 23 HG12 VAL 4 HG12 VAL 4 4.071 -0.481 7.830 24 HG13 VAL 4 HG13 VAL 4 5.444 -1.371 7.170 25 HG21 VAL 4 HG21 VAL 4 4.952 -0.808 10.165 26 HG22 VAL 4 HG22 VAL 4 6.607 -0.329 10.544 27 HG23 VAL 4 HG23 VAL 4 6.308 -1.721 9.504 28 H ILE 5 HN ILE 5 7.422 2.893 7.833 29 HA ILE 5 HA ILE 5 6.483 3.278 5.238 30 HB ILE 5 HB ILE 5 8.425 5.072 6.703 31 HG12 ILE 5 HG12 ILE 5 5.400 5.087 6.734 32 HG13 ILE 5 HG11 ILE 5 6.433 4.587 8.071 33 HG21 ILE 5 HG21 ILE 5 6.444 5.700 4.518 34 HG22 ILE 5 HG22 ILE 5 8.193 5.586 4.324 35 HG23 ILE 5 HG23 ILE 5 7.498 6.857 5.331 36 HD11 ILE 5 HD11 ILE 5 6.167 7.344 6.899 37 HD12 ILE 5 HD12 ILE 5 7.379 6.887 8.095 38 HD13 ILE 5 HD13 ILE 5 5.665 6.796 8.499 39 H LYS 6 HN LYS 6 9.831 3.292 6.416 40 HA LYS 6 HA LYS 6 10.989 3.594 3.859 41 HB2 LYS 6 HB2 LYS 6 12.247 2.443 6.345 42 HB3 LYS 6 HB1 LYS 6 13.096 3.078 4.942 43 HG2 LYS 6 HG2 LYS 6 11.496 4.580 6.987 44 HG3 LYS 6 HG1 LYS 6 13.204 4.754 6.586 45 HD2 LYS 6 HD2 LYS 6 10.909 5.430 4.745 46 HD3 LYS 6 HD1 LYS 6 11.819 6.596 5.699 47 HE2 LYS 6 HE2 LYS 6 13.874 5.887 4.514 48 HE3 LYS 6 HE1 LYS 6 12.885 4.840 3.499 49 HZ1 LYS 6 HZ1 LYS 6 11.635 6.854 2.830 50 HZ2 LYS 6 HZ2 LYS 6 13.252 6.873 2.347 51 HZ3 LYS 6 HZ3 LYS 6 12.757 7.797 3.669 52 H VAL 7 HN VAL 7 10.345 0.737 5.853 53 HA VAL 7 HA VAL 7 11.674 -1.167 4.311 54 HB VAL 7 HB VAL 7 9.108 -1.495 5.882 55 HG11 VAL 7 HG11 VAL 7 10.995 -3.574 4.775 56 HG12 VAL 7 HG12 VAL 7 9.307 -3.323 4.325 57 HG13 VAL 7 HG13 VAL 7 9.713 -3.899 5.942 58 HG21 VAL 7 HG21 VAL 7 11.001 -0.714 7.214 59 HG22 VAL 7 HG22 VAL 7 11.973 -2.063 6.626 60 HG23 VAL 7 HG23 VAL 7 10.560 -2.367 7.636 61 H ILE 8 HN ILE 8 8.317 -0.027 4.041 62 HA ILE 8 HA ILE 8 7.655 -1.673 1.834 63 HB ILE 8 HB ILE 8 6.393 0.905 2.779 64 HG12 ILE 8 HG12 ILE 8 6.313 -0.888 4.440 65 HG13 ILE 8 HG11 ILE 8 4.706 -0.583 3.788 66 HG21 ILE 8 HG21 ILE 8 5.367 -1.128 0.799 67 HG22 ILE 8 HG22 ILE 8 5.817 0.544 0.460 68 HG23 ILE 8 HG23 ILE 8 4.417 0.199 1.473 69 HD11 ILE 8 HD11 ILE 8 6.541 -2.869 3.103 70 HD12 ILE 8 HD12 ILE 8 5.008 -2.538 2.295 71 HD13 ILE 8 HD13 ILE 8 5.031 -2.940 4.011 72 H SER 9 HN SER 9 8.615 1.757 2.025 73 HA SER 9 HA SER 9 8.439 2.305 -0.712 74 HB2 SER 9 HB2 SER 9 10.273 3.575 1.328 75 HB3 SER 9 HB1 SER 9 9.828 4.262 -0.234 76 HG SER 9 HG SER 9 8.544 5.092 1.474 77 H SER 10 HN SER 10 11.246 1.245 1.220 78 HA SER 10 HA SER 10 13.058 1.263 -0.953 79 HB2 SER 10 HB2 SER 10 13.180 -0.335 1.616 80 HB3 SER 10 HB1 SER 10 14.528 -0.037 0.520 81 HG SER 10 HG SER 10 13.441 2.310 1.109 82 H ALA 11 HN ALA 11 10.696 -1.045 0.151 83 HA ALA 11 HA ALA 11 11.728 -3.336 -1.160 84 HB1 ALA 11 HB1 ALA 11 8.849 -2.735 -0.491 85 HB2 ALA 11 HB2 ALA 11 10.022 -3.424 0.629 86 HB3 ALA 11 HB3 ALA 11 9.554 -4.322 -0.815 87 H CYS 12 HN CYS 12 9.036 -1.152 -2.085 88 HA CYS 12 HA CYS 12 8.730 -2.247 -4.657 89 HB2 CYS 12 HB2 CYS 12 7.548 -0.063 -5.166 90 HB3 CYS 12 HB1 CYS 12 6.923 -0.973 -3.795 91 HG CYS 12 HG CYS 12 9.205 1.147 -2.731 92 H LYS 13 HN LYS 13 11.009 -0.022 -3.362 93 HA LYS 13 HA LYS 13 11.807 1.281 -5.733 94 HB2 LYS 13 HB2 LYS 13 12.499 1.387 -3.038 95 HB3 LYS 13 HB1 LYS 13 13.971 0.843 -3.829 96 HG2 LYS 13 HG2 LYS 13 14.340 3.047 -4.042 97 HG3 LYS 13 HG1 LYS 13 13.302 2.871 -5.459 98 HD2 LYS 13 HD2 LYS 13 11.380 3.587 -4.192 99 HD3 LYS 13 HD1 LYS 13 12.331 3.635 -2.705 100 HE2 LYS 13 HE2 LYS 13 13.779 5.364 -3.792 101 HE3 LYS 13 HE1 LYS 13 12.643 5.389 -5.138 102 HZ1 LYS 13 HZ1 LYS 13 12.221 7.156 -3.538 103 HZ2 LYS 13 HZ2 LYS 13 11.976 6.025 -2.319 104 HZ3 LYS 13 HZ3 LYS 13 10.908 6.101 -3.628 105 H THR 14 HN THR 14 12.380 -1.904 -4.520 106 HA THR 14 HA THR 14 14.606 -2.313 -6.374 107 HB THR 14 HB THR 14 13.632 -4.557 -4.702 108 HG1 THR 14 HG1 THR 14 14.322 -2.090 -3.670 109 HG21 THR 14 HG21 THR 14 16.368 -3.414 -5.264 110 HG22 THR 14 HG22 THR 14 15.622 -4.772 -6.107 111 HG23 THR 14 HG23 THR 14 16.037 -4.917 -4.401 112 H TYR 15 HN TYR 15 11.266 -3.240 -5.847 113 HA TYR 15 HA TYR 15 11.333 -5.230 -7.952 114 HB2 TYR 15 HB2 TYR 15 9.082 -4.180 -6.233 115 HB3 TYR 15 HB1 TYR 15 8.874 -5.413 -7.476 116 HD1 TYR 15 HD1 TYR 15 9.766 -4.790 -4.073 117 HD2 TYR 15 HD2 TYR 15 10.254 -7.558 -7.263 118 HE1 TYR 15 HE1 TYR 15 10.434 -6.518 -2.460 119 HE2 TYR 15 HE2 TYR 15 10.918 -9.302 -5.656 120 HH TYR 15 HH TYR 15 11.671 -9.624 -3.500 121 H CYS 16 HN CYS 16 9.542 -2.187 -7.413 122 HA CYS 16 HA CYS 16 8.842 -2.047 -10.215 123 HB2 CYS 16 HB2 CYS 16 8.439 0.151 -8.195 124 HB3 CYS 16 HB1 CYS 16 7.484 -0.207 -9.631 125 HG CYS 16 HG CYS 16 6.344 -2.531 -8.567 126 H GLY 17 HN GLY 17 10.962 -0.393 -7.930 127 HA2 GLY 17 HA2 GLY 17 13.078 0.487 -8.477 128 HA3 GLY 17 HA1 GLY 17 12.612 0.501 -10.172 129 H LYS 18 HN LYS 18 12.416 2.447 -10.982 130 HA LYS 18 HA LYS 18 12.055 4.737 -9.243 131 HB2 LYS 18 HB2 LYS 18 12.262 6.006 -11.457 132 HB3 LYS 18 HB1 LYS 18 13.672 5.119 -10.900 133 HG2 LYS 18 HG2 LYS 18 12.126 3.380 -12.528 134 HG3 LYS 18 HG1 LYS 18 12.319 4.916 -13.378 135 HD2 LYS 18 HD2 LYS 18 14.618 3.424 -12.116 136 HD3 LYS 18 HD1 LYS 18 14.121 3.195 -13.797 137 HE2 LYS 18 HE2 LYS 18 14.513 5.562 -14.239 138 HE3 LYS 18 HE1 LYS 18 14.972 5.815 -12.555 139 HZ1 LYS 18 HZ1 LYS 18 16.393 4.067 -14.493 140 HZ2 LYS 18 HZ2 LYS 18 16.845 4.330 -12.884 141 HZ3 LYS 18 HZ3 LYS 18 16.901 5.602 -13.993 142 H THR 19 HN THR 19 10.083 2.626 -10.925 143 HA THR 19 HA THR 19 8.033 4.403 -11.778 144 HB THR 19 HB THR 19 7.343 1.609 -11.048 145 HG1 THR 19 HG1 THR 19 8.864 1.991 -13.383 146 HG21 THR 19 HG21 THR 19 6.293 1.650 -13.266 147 HG22 THR 19 HG22 THR 19 6.970 3.253 -13.558 148 HG23 THR 19 HG23 THR 19 5.770 3.020 -12.287 149 H SER 20 HN SER 20 8.986 3.166 -8.762 150 HA SER 20 HA SER 20 6.499 3.134 -7.411 151 HB2 SER 20 HB2 SER 20 8.977 3.735 -5.892 152 HB3 SER 20 HB1 SER 20 7.740 2.513 -5.592 153 HG SER 20 HG SER 20 10.058 2.370 -7.101 154 HA PRO 21 HA PRO 21 6.018 7.561 -7.105 155 HB2 PRO 21 HB2 PRO 21 3.760 7.537 -5.611 156 HB3 PRO 21 HB1 PRO 21 3.747 7.100 -7.332 157 HG2 PRO 21 HG2 PRO 21 3.764 5.324 -4.939 158 HG3 PRO 21 HG1 PRO 21 2.807 5.196 -6.427 159 HD2 PRO 21 HD2 PRO 21 5.047 3.735 -6.002 160 HD3 PRO 21 HD1 PRO 21 4.531 4.258 -7.618 161 H SER 22 HN SER 22 5.626 9.142 -5.270 162 HA SER 22 HA SER 22 7.558 8.744 -3.252 163 HB2 SER 22 HB2 SER 22 5.369 10.824 -3.512 164 HB3 SER 22 HB1 SER 22 6.688 10.897 -2.346 165 HG SER 22 HG SER 22 8.146 11.124 -3.980 166 H LYS 23 HN LYS 23 7.333 8.328 -1.056 167 HA LYS 23 HA LYS 23 5.226 6.583 -0.354 168 HB2 LYS 23 HB2 LYS 23 6.413 6.119 1.518 169 HB3 LYS 23 HB1 LYS 23 7.689 6.924 0.619 170 HG2 LYS 23 HG2 LYS 23 5.910 8.352 2.575 171 HG3 LYS 23 HG1 LYS 23 7.443 7.599 3.022 172 HD2 LYS 23 HD2 LYS 23 8.683 9.088 1.712 173 HD3 LYS 23 HD1 LYS 23 7.265 9.589 0.786 174 HE2 LYS 23 HE2 LYS 23 6.419 10.859 2.563 175 HE3 LYS 23 HE1 LYS 23 7.484 10.085 3.736 176 HZ1 LYS 23 HZ1 LYS 23 8.041 12.434 2.875 177 HZ2 LYS 23 HZ2 LYS 23 8.634 11.621 1.513 178 HZ3 LYS 23 HZ3 LYS 23 9.282 11.297 3.039 179 H LYS 24 HN LYS 24 5.322 9.944 -0.429 180 HA LYS 24 HA LYS 24 3.781 10.695 1.768 181 HB2 LYS 24 HB2 LYS 24 3.707 11.924 -0.995 182 HB3 LYS 24 HB1 LYS 24 3.181 12.693 0.493 183 HG2 LYS 24 HG2 LYS 24 5.603 12.355 1.280 184 HG3 LYS 24 HG1 LYS 24 5.962 12.074 -0.424 185 HD2 LYS 24 HD2 LYS 24 4.487 14.330 -0.601 186 HD3 LYS 24 HD1 LYS 24 5.235 14.563 0.978 187 HE2 LYS 24 HE2 LYS 24 6.738 13.929 -1.558 188 HE3 LYS 24 HE1 LYS 24 6.525 15.548 -0.903 189 HZ1 LYS 24 HZ1 LYS 24 8.006 13.296 0.324 190 HZ2 LYS 24 HZ2 LYS 24 7.664 14.732 1.142 191 HZ3 LYS 24 HZ3 LYS 24 8.644 14.756 -0.233 192 H GLU 25 HN GLU 25 2.828 9.501 -1.418 193 HA GLU 25 HA GLU 25 0.027 9.780 -0.929 194 HB2 GLU 25 HB2 GLU 25 1.380 9.561 -3.199 195 HB3 GLU 25 HB1 GLU 25 1.072 7.850 -2.955 196 HG2 GLU 25 HG2 GLU 25 -1.101 8.034 -3.464 197 HG3 GLU 25 HG1 GLU 25 -1.275 9.567 -2.613 198 H ILE 26 HN ILE 26 2.418 7.268 -0.500 199 HA ILE 26 HA ILE 26 0.662 5.099 -0.070 200 HB ILE 26 HB ILE 26 3.413 5.497 1.123 201 HG12 ILE 26 HG12 ILE 26 2.608 4.109 -1.442 202 HG13 ILE 26 HG11 ILE 26 3.391 5.681 -1.349 203 HG21 ILE 26 HG21 ILE 26 2.153 3.740 2.226 204 HG22 ILE 26 HG22 ILE 26 3.450 3.044 1.256 205 HG23 ILE 26 HG23 ILE 26 1.787 2.996 0.669 206 HD11 ILE 26 HD11 ILE 26 5.052 4.082 -1.883 207 HD12 ILE 26 HD12 ILE 26 4.534 3.011 -0.582 208 HD13 ILE 26 HD13 ILE 26 5.308 4.550 -0.203 209 H GLY 27 HN GLY 27 2.205 7.399 2.158 210 HA2 GLY 27 HA2 GLY 27 1.122 6.334 4.534 211 HA3 GLY 27 HA1 GLY 27 1.699 7.982 4.321 212 H ALA 28 HN ALA 28 -0.081 8.759 2.271 213 HA ALA 28 HA ALA 28 -2.314 9.574 3.793 214 HB1 ALA 28 HB1 ALA 28 -1.496 10.909 1.938 215 HB2 ALA 28 HB2 ALA 28 -3.178 10.464 1.656 216 HB3 ALA 28 HB3 ALA 28 -1.888 9.618 0.800 217 H MET 29 HN MET 29 -1.853 7.073 1.344 218 HA MET 29 HA MET 29 -4.549 6.205 1.267 219 HB2 MET 29 HB2 MET 29 -3.045 5.656 -0.545 220 HB3 MET 29 HB1 MET 29 -1.971 4.801 0.551 221 HG2 MET 29 HG2 MET 29 -4.047 3.309 1.013 222 HG3 MET 29 HG1 MET 29 -4.639 3.975 -0.507 223 HE1 MET 29 HE1 MET 29 -0.965 2.984 0.654 224 HE2 MET 29 HE2 MET 29 -0.883 1.350 -0.005 225 HE3 MET 29 HE3 MET 29 -2.034 1.730 1.278 226 H LEU 30 HN LEU 30 -1.713 5.217 3.131 227 HA LEU 30 HA LEU 30 -2.821 2.970 4.381 228 HB2 LEU 30 HB2 LEU 30 -0.398 3.704 4.361 229 HB3 LEU 30 HB1 LEU 30 -0.815 4.849 5.622 230 HG LEU 30 HG LEU 30 -1.394 3.043 7.134 231 HD11 LEU 30 HD11 LEU 30 -0.880 1.294 4.738 232 HD12 LEU 30 HD12 LEU 30 -2.341 1.409 5.721 233 HD13 LEU 30 HD13 LEU 30 -0.884 0.679 6.393 234 HD21 LEU 30 HD21 LEU 30 0.808 2.038 7.401 235 HD22 LEU 30 HD22 LEU 30 0.943 3.754 7.016 236 HD23 LEU 30 HD23 LEU 30 1.250 2.544 5.771 237 H SER 31 HN SER 31 -2.797 6.379 5.314 238 HA SER 31 HA SER 31 -4.075 6.132 7.788 239 HB2 SER 31 HB2 SER 31 -2.979 8.208 6.952 240 HB3 SER 31 HB1 SER 31 -4.314 8.427 5.821 241 HG SER 31 HG SER 31 -5.632 8.956 7.434 242 H LEU 32 HN LEU 32 -5.332 6.313 4.520 243 HA LEU 32 HA LEU 32 -8.068 6.590 5.161 244 HB2 LEU 32 HB2 LEU 32 -6.916 6.974 2.917 245 HB3 LEU 32 HB1 LEU 32 -6.918 5.238 2.715 246 HG LEU 32 HG LEU 32 -8.769 6.680 1.595 247 HD11 LEU 32 HD11 LEU 32 -8.724 4.262 1.506 248 HD12 LEU 32 HD12 LEU 32 -10.368 4.827 1.802 249 HD13 LEU 32 HD13 LEU 32 -9.411 4.164 3.128 250 HD21 LEU 32 HD21 LEU 32 -10.748 7.031 2.911 251 HD22 LEU 32 HD22 LEU 32 -9.392 7.861 3.675 252 HD23 LEU 32 HD23 LEU 32 -9.974 6.330 4.331 253 H LEU 33 HN LEU 33 -5.978 3.799 4.586 254 HA LEU 33 HA LEU 33 -7.955 1.806 4.717 255 HB2 LEU 33 HB2 LEU 33 -5.051 1.584 5.520 256 HB3 LEU 33 HB1 LEU 33 -6.118 0.248 5.136 257 HG LEU 33 HG LEU 33 -5.195 2.383 3.208 258 HD11 LEU 33 HD11 LEU 33 -3.927 0.600 2.159 259 HD12 LEU 33 HD12 LEU 33 -4.495 -0.547 3.372 260 HD13 LEU 33 HD13 LEU 33 -3.441 0.787 3.843 261 HD21 LEU 33 HD21 LEU 33 -6.954 -0.032 2.792 262 HD22 LEU 33 HD22 LEU 33 -6.260 0.947 1.500 263 HD23 LEU 33 HD23 LEU 33 -7.417 1.662 2.620 264 H GLN 34 HN GLN 34 -6.049 3.385 7.229 265 HA GLN 34 HA GLN 34 -6.967 1.695 9.341 266 HB2 GLN 34 HB2 GLN 34 -5.886 4.507 9.550 267 HB3 GLN 34 HB1 GLN 34 -5.969 3.319 10.840 268 HG2 GLN 34 HG2 GLN 34 -4.370 1.909 9.623 269 HG3 GLN 34 HG1 GLN 34 -4.260 3.146 8.371 270 HE21 GLN 34 HE21 GLN 34 -3.253 2.164 11.500 271 HE22 GLN 34 HE22 GLN 34 -2.178 3.484 11.806 272 H LYS 35 HN LYS 35 -7.995 4.778 7.983 273 HA LYS 35 HA LYS 35 -9.930 5.386 9.956 274 HB2 LYS 35 HB2 LYS 35 -9.975 7.317 8.828 275 HB3 LYS 35 HB1 LYS 35 -8.870 6.621 7.660 276 HG2 LYS 35 HG2 LYS 35 -10.506 7.277 6.243 277 HG3 LYS 35 HG1 LYS 35 -11.149 5.686 6.649 278 HD2 LYS 35 HD2 LYS 35 -12.627 6.650 8.286 279 HD3 LYS 35 HD1 LYS 35 -11.899 8.240 8.061 280 HE2 LYS 35 HE2 LYS 35 -12.783 8.436 5.873 281 HE3 LYS 35 HE1 LYS 35 -13.252 6.737 5.841 282 HZ1 LYS 35 HZ1 LYS 35 -14.908 7.160 7.508 283 HZ2 LYS 35 HZ2 LYS 35 -15.132 8.242 6.228 284 HZ3 LYS 35 HZ3 LYS 35 -14.411 8.772 7.659 285 H GLU 36 HN GLU 36 -10.050 3.607 6.918 286 HA GLU 36 HA GLU 36 -12.876 3.218 6.939 287 HB2 GLU 36 HB2 GLU 36 -10.611 1.923 5.431 288 HB3 GLU 36 HB1 GLU 36 -12.279 1.401 5.238 289 HG2 GLU 36 HG2 GLU 36 -11.249 4.182 4.729 290 HG3 GLU 36 HG1 GLU 36 -11.578 2.966 3.494 291 H GLY 37 HN GLY 37 -10.355 1.858 8.732 292 HA2 GLY 37 HA2 GLY 37 -10.542 0.313 10.461 293 HA3 GLY 37 HA1 GLY 37 -12.174 -0.052 9.919 294 H LEU 38 HN LEU 38 -9.978 -0.133 7.381 295 HA LEU 38 HA LEU 38 -10.291 -2.955 7.055 296 HB2 LEU 38 HB2 LEU 38 -8.519 -1.004 5.574 297 HB3 LEU 38 HB1 LEU 38 -8.848 -2.651 5.079 298 HG LEU 38 HG LEU 38 -10.964 -0.515 5.325 299 HD11 LEU 38 HD11 LEU 38 -9.486 -1.505 2.893 300 HD12 LEU 38 HD12 LEU 38 -9.437 0.123 3.571 301 HD13 LEU 38 HD13 LEU 38 -10.928 -0.491 2.852 302 HD21 LEU 38 HD21 LEU 38 -12.296 -2.101 3.978 303 HD22 LEU 38 HD22 LEU 38 -11.859 -2.743 5.560 304 HD23 LEU 38 HD23 LEU 38 -10.991 -3.279 4.122 305 H LEU 39 HN LEU 39 -7.731 -0.811 8.117 306 HA LEU 39 HA LEU 39 -6.239 -3.149 9.078 307 HB2 LEU 39 HB2 LEU 39 -5.114 -0.724 7.684 308 HB3 LEU 39 HB1 LEU 39 -4.139 -1.872 8.578 309 HG LEU 39 HG LEU 39 -5.796 -2.554 6.147 310 HD11 LEU 39 HD11 LEU 39 -2.833 -2.092 6.447 311 HD12 LEU 39 HD12 LEU 39 -3.968 -1.095 5.536 312 HD13 LEU 39 HD13 LEU 39 -3.618 -2.742 5.010 313 HD21 LEU 39 HD21 LEU 39 -4.471 -4.648 6.203 314 HD22 LEU 39 HD22 LEU 39 -5.535 -4.458 7.595 315 HD23 LEU 39 HD23 LEU 39 -3.808 -4.146 7.756 316 H MET 40 HN MET 40 -4.775 -2.606 10.872 317 HA MET 40 HA MET 40 -5.864 -0.363 12.450 318 HB2 MET 40 HB2 MET 40 -6.357 -2.575 13.409 319 HB3 MET 40 HB1 MET 40 -4.642 -2.964 13.400 320 HG2 MET 40 HG2 MET 40 -4.259 -1.084 14.968 321 HG3 MET 40 HG1 MET 40 -6.002 -0.840 15.041 322 HE1 MET 40 HE1 MET 40 -3.034 -3.206 15.750 323 HE2 MET 40 HE2 MET 40 -4.068 -4.350 14.896 324 HE3 MET 40 HE3 MET 40 -3.770 -4.550 16.623 325 H SER 41 HN SER 41 -2.924 -2.319 12.027 326 HA SER 41 HA SER 41 -1.338 0.060 12.744 327 HB2 SER 41 HB2 SER 41 0.202 -2.369 12.738 328 HB3 SER 41 HB1 SER 41 -0.141 -1.286 14.085 329 HG SER 41 HG SER 41 -1.509 -3.598 13.239 330 HA PRO 42 HA PRO 42 0.481 0.171 8.711 331 HB2 PRO 42 HB2 PRO 42 3.130 0.662 9.323 332 HB3 PRO 42 HB1 PRO 42 1.864 1.902 9.354 333 HG2 PRO 42 HG2 PRO 42 3.045 0.366 11.611 334 HG3 PRO 42 HG1 PRO 42 2.592 2.082 11.517 335 HD2 PRO 42 HD2 PRO 42 1.039 0.283 12.765 336 HD3 PRO 42 HD1 PRO 42 0.359 1.657 11.872 337 H SER 43 HN SER 43 1.927 -1.864 11.171 338 HA SER 43 HA SER 43 3.506 -3.423 9.387 339 HB2 SER 43 HB2 SER 43 3.340 -4.992 11.553 340 HB3 SER 43 HB1 SER 43 4.380 -3.566 11.491 341 HG SER 43 HG SER 43 2.093 -4.029 12.964 342 H ASP 44 HN ASP 44 0.205 -3.291 9.916 343 HA ASP 44 HA ASP 44 -0.495 -6.035 9.781 344 HB2 ASP 44 HB2 ASP 44 -2.049 -3.544 9.058 345 HB3 ASP 44 HB1 ASP 44 -2.733 -5.163 8.995 346 H LEU 45 HN LEU 45 0.849 -3.941 7.532 347 HA LEU 45 HA LEU 45 -0.310 -4.808 5.113 348 HB2 LEU 45 HB2 LEU 45 2.029 -3.246 5.951 349 HB3 LEU 45 HB1 LEU 45 2.284 -4.140 4.467 350 HG LEU 45 HG LEU 45 1.541 -1.871 3.998 351 HD11 LEU 45 HD11 LEU 45 0.859 -3.777 2.532 352 HD12 LEU 45 HD12 LEU 45 -0.194 -2.365 2.454 353 HD13 LEU 45 HD13 LEU 45 -0.692 -3.786 3.372 354 HD21 LEU 45 HD21 LEU 45 -0.658 -1.092 4.640 355 HD22 LEU 45 HD22 LEU 45 0.281 -1.503 6.072 356 HD23 LEU 45 HD23 LEU 45 -0.972 -2.604 5.493 357 H TYR 46 HN TYR 46 1.864 -6.329 7.280 358 HA TYR 46 HA TYR 46 3.024 -8.073 5.273 359 HB2 TYR 46 HB2 TYR 46 3.304 -8.224 8.278 360 HB3 TYR 46 HB1 TYR 46 4.317 -9.023 7.080 361 HD1 TYR 46 HD1 TYR 46 4.771 -6.816 5.156 362 HD2 TYR 46 HD2 TYR 46 4.771 -6.807 9.412 363 HE1 TYR 46 HE1 TYR 46 6.275 -4.872 5.146 364 HE2 TYR 46 HE2 TYR 46 6.274 -4.863 9.413 365 HH TYR 46 HH TYR 46 8.014 -3.867 7.744 366 H SER 47 HN SER 47 0.074 -8.053 6.008 367 HA SER 47 HA SER 47 -0.187 -10.919 6.632 368 HB2 SER 47 HB2 SER 47 -2.510 -9.037 6.862 369 HB3 SER 47 HB1 SER 47 -2.167 -10.508 7.770 370 HG SER 47 HG SER 47 -1.101 -7.919 8.100 371 HA PRO 48 HA PRO 48 -1.107 -10.705 2.151 372 HB2 PRO 48 HB2 PRO 48 -1.150 -13.466 1.916 373 HB3 PRO 48 HB1 PRO 48 0.288 -12.450 1.725 374 HG2 PRO 48 HG2 PRO 48 -0.603 -14.038 4.067 375 HG3 PRO 48 HG1 PRO 48 1.033 -13.760 3.442 376 HD2 PRO 48 HD2 PRO 48 0.112 -12.475 5.606 377 HD3 PRO 48 HD1 PRO 48 1.221 -11.701 4.457 378 H GLY 49 HN GLY 49 -2.742 -12.685 4.589 379 HA2 GLY 49 HA2 GLY 49 -4.983 -13.339 2.961 380 HA3 GLY 49 HA1 GLY 49 -4.907 -13.451 4.711 381 H SER 50 HN SER 50 -4.127 -10.492 4.702 382 HA SER 50 HA SER 50 -6.871 -9.534 4.790 383 HB2 SER 50 HB2 SER 50 -4.316 -8.173 5.669 384 HB3 SER 50 HB1 SER 50 -5.959 -7.630 6.015 385 HG SER 50 HG SER 50 -4.686 -9.017 7.624 386 H TRP 51 HN TRP 51 -4.425 -9.612 2.531 387 HA TRP 51 HA TRP 51 -4.629 -6.996 1.425 388 HB2 TRP 51 HB2 TRP 51 -3.711 -9.607 0.218 389 HB3 TRP 51 HB1 TRP 51 -3.611 -8.062 -0.614 390 HD1 TRP 51 HD1 TRP 51 -2.699 -6.839 2.520 391 HE1 TRP 51 HE1 TRP 51 -0.165 -6.990 2.998 392 HE3 TRP 51 HE3 TRP 51 -1.402 -10.270 -1.037 393 HZ2 TRP 51 HZ2 TRP 51 2.074 -8.376 1.988 394 HZ3 TRP 51 HZ3 TRP 51 0.952 -10.953 -1.222 395 HH2 TRP 51 HH2 TRP 51 2.651 -10.024 0.262 396 H ASP 52 HN ASP 52 -6.321 -10.009 0.938 397 HA ASP 52 HA ASP 52 -7.604 -9.451 -1.471 398 HB2 ASP 52 HB2 ASP 52 -7.466 -11.656 -0.119 399 HB3 ASP 52 HB1 ASP 52 -8.940 -11.085 0.654 400 HA PRO 53 HA PRO 53 -11.514 -7.889 1.039 401 HB2 PRO 53 HB2 PRO 53 -10.789 -6.772 3.492 402 HB3 PRO 53 HB1 PRO 53 -11.573 -8.347 3.275 403 HG2 PRO 53 HG2 PRO 53 -8.709 -7.714 3.717 404 HG3 PRO 53 HG1 PRO 53 -9.680 -9.071 4.320 405 HD2 PRO 53 HD2 PRO 53 -7.957 -9.389 2.301 406 HD3 PRO 53 HD1 PRO 53 -9.511 -10.250 2.344 407 H ILE 54 HN ILE 54 -8.380 -6.352 1.723 408 HA ILE 54 HA ILE 54 -9.296 -3.693 1.582 409 HB ILE 54 HB ILE 54 -6.533 -4.766 1.007 410 HG12 ILE 54 HG12 ILE 54 -7.633 -3.535 3.542 411 HG13 ILE 54 HG11 ILE 54 -7.483 -5.268 3.277 412 HG21 ILE 54 HG21 ILE 54 -5.759 -2.490 1.478 413 HG22 ILE 54 HG22 ILE 54 -7.435 -1.957 1.633 414 HG23 ILE 54 HG23 ILE 54 -6.835 -2.539 0.081 415 HD11 ILE 54 HD11 ILE 54 -5.650 -4.317 4.609 416 HD12 ILE 54 HD12 ILE 54 -5.189 -3.330 3.222 417 HD13 ILE 54 HD13 ILE 54 -5.097 -5.088 3.123 418 H THR 55 HN THR 55 -7.746 -5.761 -0.874 419 HA THR 55 HA THR 55 -7.756 -3.892 -2.956 420 HB THR 55 HB THR 55 -8.087 -6.874 -3.311 421 HG1 THR 55 HG1 THR 55 -6.321 -6.707 -2.013 422 HG21 THR 55 HG21 THR 55 -6.793 -6.493 -5.366 423 HG22 THR 55 HG22 THR 55 -6.760 -4.764 -5.021 424 HG23 THR 55 HG23 THR 55 -8.292 -5.566 -5.365 425 H ALA 56 HN ALA 56 -10.207 -6.191 -1.883 426 HA ALA 56 HA ALA 56 -12.012 -5.766 -4.024 427 HB1 ALA 56 HB1 ALA 56 -12.498 -6.800 -1.234 428 HB2 ALA 56 HB2 ALA 56 -12.132 -7.763 -2.666 429 HB3 ALA 56 HB3 ALA 56 -13.655 -6.880 -2.563 430 H ALA 57 HN ALA 57 -11.699 -4.334 -0.810 431 HA ALA 57 HA ALA 57 -14.059 -2.760 -0.969 432 HB1 ALA 57 HB1 ALA 57 -13.027 -3.359 1.167 433 HB2 ALA 57 HB2 ALA 57 -13.204 -1.612 1.003 434 HB3 ALA 57 HB3 ALA 57 -11.626 -2.365 0.770 435 H LEU 58 HN LEU 58 -10.639 -2.084 -1.636 436 HA LEU 58 HA LEU 58 -10.978 0.677 -2.126 437 HB2 LEU 58 HB2 LEU 58 -8.852 -1.254 -3.041 438 HB3 LEU 58 HB1 LEU 58 -8.779 0.473 -3.336 439 HG LEU 58 HG LEU 58 -8.682 -0.935 -0.672 440 HD11 LEU 58 HD11 LEU 58 -6.511 0.121 -0.487 441 HD12 LEU 58 HD12 LEU 58 -6.738 0.911 -2.048 442 HD13 LEU 58 HD13 LEU 58 -6.596 -0.846 -1.961 443 HD21 LEU 58 HD21 LEU 58 -10.061 0.983 -0.326 444 HD22 LEU 58 HD22 LEU 58 -8.983 2.003 -1.278 445 HD23 LEU 58 HD23 LEU 58 -8.450 1.367 0.279 446 H SER 59 HN SER 59 -11.111 -2.141 -4.276 447 HA SER 59 HA SER 59 -11.343 -0.596 -6.654 448 HB2 SER 59 HB2 SER 59 -12.274 -2.800 -7.596 449 HB3 SER 59 HB1 SER 59 -10.623 -2.821 -6.983 450 HG SER 59 HG SER 59 -11.231 -4.002 -5.292 451 H GLN 60 HN GLN 60 -13.612 -1.853 -4.304 452 HA GLN 60 HA GLN 60 -15.988 -1.475 -5.747 453 HB2 GLN 60 HB2 GLN 60 -15.580 -2.672 -3.487 454 HB3 GLN 60 HB1 GLN 60 -15.784 -1.077 -2.776 455 HG2 GLN 60 HG2 GLN 60 -18.014 -0.938 -3.843 456 HG3 GLN 60 HG1 GLN 60 -17.799 -2.591 -4.417 457 HE21 GLN 60 HE21 GLN 60 -16.708 -1.405 -1.306 458 HE22 GLN 60 HE22 GLN 60 -17.809 -2.342 -0.357 459 H ARG 61 HN ARG 61 -14.505 0.642 -3.275 460 HA ARG 61 HA ARG 61 -16.264 2.802 -3.707 461 HB2 ARG 61 HB2 ARG 61 -14.592 4.165 -2.484 462 HB3 ARG 61 HB1 ARG 61 -14.995 2.670 -1.658 463 HG2 ARG 61 HG2 ARG 61 -12.908 1.686 -2.662 464 HG3 ARG 61 HG1 ARG 61 -12.493 3.318 -3.185 465 HD2 ARG 61 HD2 ARG 61 -13.226 2.900 -0.343 466 HD3 ARG 61 HD1 ARG 61 -11.654 2.323 -0.876 467 HE ARG 61 HE ARG 61 -11.167 4.626 -1.576 468 HH11 ARG 61 HH11 ARG 61 -13.682 5.706 1.381 469 HH12 ARG 61 HH12 ARG 61 -13.772 4.103 0.724 470 HH21 ARG 61 HH21 ARG 61 -11.029 6.723 -0.708 471 HH22 ARG 61 HH22 ARG 61 -12.114 7.200 0.568 472 H ALA 62 HN ALA 62 -13.367 1.799 -5.351 473 HA ALA 62 HA ALA 62 -12.796 4.253 -6.639 474 HB1 ALA 62 HB1 ALA 62 -12.127 1.455 -7.530 475 HB2 ALA 62 HB2 ALA 62 -11.154 2.458 -6.453 476 HB3 ALA 62 HB3 ALA 62 -11.396 2.941 -8.132 477 H MET 63 HN MET 63 -14.825 1.492 -7.528 478 HA MET 63 HA MET 63 -15.427 2.666 -10.110 479 HB2 MET 63 HB2 MET 63 -16.712 0.690 -10.559 480 HB3 MET 63 HB1 MET 63 -15.196 0.210 -9.821 481 HG2 MET 63 HG2 MET 63 -16.329 -0.093 -7.680 482 HG3 MET 63 HG1 MET 63 -17.853 0.391 -8.418 483 HE1 MET 63 HE1 MET 63 -14.907 -1.952 -9.714 484 HE2 MET 63 HE2 MET 63 -15.570 -3.525 -9.274 485 HE3 MET 63 HE3 MET 63 -15.150 -2.361 -8.016 486 H ILE 64 HN ILE 64 -16.968 2.384 -6.963 487 HA ILE 64 HA ILE 64 -19.521 3.301 -7.906 488 HB ILE 64 HB ILE 64 -18.459 3.085 -5.083 489 HG12 ILE 64 HG12 ILE 64 -20.318 1.292 -6.662 490 HG13 ILE 64 HG11 ILE 64 -18.638 0.935 -6.281 491 HG21 ILE 64 HG21 ILE 64 -20.797 3.279 -4.377 492 HG22 ILE 64 HG22 ILE 64 -21.278 3.557 -6.051 493 HG23 ILE 64 HG23 ILE 64 -20.255 4.730 -5.223 494 HD11 ILE 64 HD11 ILE 64 -20.912 1.196 -4.329 495 HD12 ILE 64 HD12 ILE 64 -19.222 0.973 -3.879 496 HD13 ILE 64 HD13 ILE 64 -20.065 -0.281 -4.788 497 H LEU 65 HN LEU 65 -16.952 4.801 -5.913 498 HA LEU 65 HA LEU 65 -18.259 7.357 -5.976 499 HB2 LEU 65 HB2 LEU 65 -15.676 6.322 -4.896 500 HB3 LEU 65 HB1 LEU 65 -15.863 8.050 -5.118 501 HG LEU 65 HG LEU 65 -17.910 7.943 -3.667 502 HD11 LEU 65 HD11 LEU 65 -16.927 5.140 -3.165 503 HD12 LEU 65 HD12 LEU 65 -18.457 5.605 -3.908 504 HD13 LEU 65 HD13 LEU 65 -18.151 5.976 -2.211 505 HD21 LEU 65 HD21 LEU 65 -15.699 8.651 -2.839 506 HD22 LEU 65 HD22 LEU 65 -15.357 6.983 -2.380 507 HD23 LEU 65 HD23 LEU 65 -16.670 7.863 -1.597 508 H GLY 66 HN GLY 66 -15.767 5.743 -7.810 509 HA2 GLY 66 HA2 GLY 66 -15.225 6.308 -10.036 510 HA3 GLY 66 HA1 GLY 66 -15.861 7.924 -9.759 511 H LYS 67 HN LYS 67 -13.780 6.667 -7.342 512 HA LYS 67 HA LYS 67 -11.548 8.219 -8.449 513 HB2 LYS 67 HB2 LYS 67 -10.957 8.859 -6.106 514 HB3 LYS 67 HB1 LYS 67 -12.469 9.549 -6.677 515 HG2 LYS 67 HG2 LYS 67 -13.753 8.251 -5.276 516 HG3 LYS 67 HG1 LYS 67 -12.513 7.004 -5.123 517 HD2 LYS 67 HD2 LYS 67 -12.415 8.043 -3.057 518 HD3 LYS 67 HD1 LYS 67 -11.142 8.877 -3.948 519 HE2 LYS 67 HE2 LYS 67 -13.953 9.935 -3.793 520 HE3 LYS 67 HE1 LYS 67 -12.743 10.307 -2.568 521 HZ1 LYS 67 HZ1 LYS 67 -12.558 12.064 -4.018 522 HZ2 LYS 67 HZ2 LYS 67 -12.829 11.125 -5.396 523 HZ3 LYS 67 HZ3 LYS 67 -11.342 11.040 -4.592 524 H SER 68 HN SER 68 -9.837 7.029 -8.790 525 HA SER 68 HA SER 68 -9.512 4.503 -7.340 526 HB2 SER 68 HB2 SER 68 -7.695 5.043 -9.580 527 HB3 SER 68 HB1 SER 68 -8.708 3.633 -9.270 528 HG SER 68 HG SER 68 -10.323 4.515 -10.381 529 H GLY 69 HN GLY 69 -8.857 7.234 -6.373 530 HA2 GLY 69 HA2 GLY 69 -6.162 7.866 -6.417 531 HA3 GLY 69 HA1 GLY 69 -7.258 8.252 -5.103 532 H GLU 70 HN GLU 70 -7.840 5.675 -4.182 533 HA GLU 70 HA GLU 70 -5.370 5.130 -2.778 534 HB2 GLU 70 HB2 GLU 70 -8.060 3.786 -2.469 535 HB3 GLU 70 HB1 GLU 70 -6.696 3.670 -1.364 536 HG2 GLU 70 HG2 GLU 70 -7.795 5.259 -0.243 537 HG3 GLU 70 HG1 GLU 70 -7.041 6.338 -1.413 538 H LEU 71 HN LEU 71 -7.487 3.553 -5.096 539 HA LEU 71 HA LEU 71 -6.413 0.983 -5.055 540 HB2 LEU 71 HB2 LEU 71 -8.270 2.417 -6.622 541 HB3 LEU 71 HB1 LEU 71 -7.115 1.717 -7.738 542 HG LEU 71 HG LEU 71 -8.946 0.297 -5.827 543 HD11 LEU 71 HD11 LEU 71 -8.499 0.165 -8.800 544 HD12 LEU 71 HD12 LEU 71 -9.911 0.796 -7.957 545 HD13 LEU 71 HD13 LEU 71 -9.550 -0.929 -7.900 546 HD21 LEU 71 HD21 LEU 71 -6.922 -0.864 -5.474 547 HD22 LEU 71 HD22 LEU 71 -6.482 -0.766 -7.179 548 HD23 LEU 71 HD23 LEU 71 -7.810 -1.806 -6.670 549 H LYS 72 HN LYS 72 -5.403 3.799 -6.973 550 HA LYS 72 HA LYS 72 -3.503 2.514 -8.569 551 HB2 LYS 72 HB2 LYS 72 -3.652 5.346 -7.551 552 HB3 LYS 72 HB1 LYS 72 -2.413 4.811 -8.676 553 HG2 LYS 72 HG2 LYS 72 -4.315 4.065 -10.182 554 HG3 LYS 72 HG1 LYS 72 -5.380 4.976 -9.110 555 HD2 LYS 72 HD2 LYS 72 -2.989 6.126 -10.556 556 HD3 LYS 72 HD1 LYS 72 -4.662 6.270 -11.101 557 HE2 LYS 72 HE2 LYS 72 -5.257 7.576 -9.210 558 HE3 LYS 72 HE1 LYS 72 -3.736 7.211 -8.400 559 HZ1 LYS 72 HZ1 LYS 72 -4.025 8.822 -10.875 560 HZ2 LYS 72 HZ2 LYS 72 -2.567 8.474 -10.095 561 HZ3 LYS 72 HZ3 LYS 72 -3.725 9.438 -9.331 562 H THR 73 HN THR 73 -3.099 4.118 -5.435 563 HA THR 73 HA THR 73 -0.336 3.644 -5.188 564 HB THR 73 HB THR 73 -1.957 3.753 -2.712 565 HG1 THR 73 HG1 THR 73 -3.109 5.414 -3.326 566 HG21 THR 73 HG21 THR 73 0.374 5.352 -3.777 567 HG22 THR 73 HG22 THR 73 0.458 4.015 -2.631 568 HG23 THR 73 HG23 THR 73 -0.324 5.524 -2.163 569 H TRP 74 HN TRP 74 -3.162 1.905 -3.940 570 HA TRP 74 HA TRP 74 -1.801 -0.065 -2.502 571 HB2 TRP 74 HB2 TRP 74 -4.167 0.322 -2.180 572 HB3 TRP 74 HB1 TRP 74 -4.508 -0.140 -3.843 573 HD1 TRP 74 HD1 TRP 74 -5.089 -2.617 -4.258 574 HE1 TRP 74 HE1 TRP 74 -5.089 -4.760 -2.822 575 HE3 TRP 74 HE3 TRP 74 -2.708 -0.814 -0.110 576 HZ2 TRP 74 HZ2 TRP 74 -4.168 -5.576 -0.292 577 HZ3 TRP 74 HZ3 TRP 74 -2.296 -2.346 1.769 578 HH2 TRP 74 HH2 TRP 74 -3.015 -4.677 1.682 579 H GLY 75 HN GLY 75 -2.919 -0.049 -5.874 580 HA2 GLY 75 HA2 GLY 75 -2.347 -2.676 -6.566 581 HA3 GLY 75 HA1 GLY 75 -2.298 -1.316 -7.676 582 H LEU 76 HN LEU 76 -0.168 0.117 -6.560 583 HA LEU 76 HA LEU 76 2.018 -1.267 -7.726 584 HB2 LEU 76 HB2 LEU 76 1.626 1.344 -6.360 585 HB3 LEU 76 HB1 LEU 76 3.265 0.727 -6.457 586 HG LEU 76 HG LEU 76 1.773 0.675 -8.999 587 HD11 LEU 76 HD11 LEU 76 0.925 2.762 -8.127 588 HD12 LEU 76 HD12 LEU 76 2.116 3.080 -9.390 589 HD13 LEU 76 HD13 LEU 76 2.556 3.274 -7.696 590 HD21 LEU 76 HD21 LEU 76 3.925 1.498 -9.838 591 HD22 LEU 76 HD22 LEU 76 4.126 0.056 -8.844 592 HD23 LEU 76 HD23 LEU 76 4.512 1.644 -8.181 593 H VAL 77 HN VAL 77 1.230 -0.443 -4.359 594 HA VAL 77 HA VAL 77 3.523 -1.612 -3.208 595 HB VAL 77 HB VAL 77 0.795 -1.291 -1.938 596 HG11 VAL 77 HG11 VAL 77 2.302 -2.778 -0.703 597 HG12 VAL 77 HG12 VAL 77 1.993 -1.282 0.177 598 HG13 VAL 77 HG13 VAL 77 3.522 -1.504 -0.673 599 HG21 VAL 77 HG21 VAL 77 3.127 0.623 -2.024 600 HG22 VAL 77 HG22 VAL 77 1.672 0.834 -1.051 601 HG23 VAL 77 HG23 VAL 77 1.563 0.838 -2.810 602 H LEU 78 HN LEU 78 0.272 -2.861 -3.809 603 HA LEU 78 HA LEU 78 0.606 -5.388 -2.634 604 HB2 LEU 78 HB2 LEU 78 -1.578 -4.391 -3.274 605 HB3 LEU 78 HB1 LEU 78 -1.163 -4.625 -4.960 606 HG LEU 78 HG LEU 78 -1.051 -7.086 -4.521 607 HD11 LEU 78 HD11 LEU 78 -2.238 -6.260 -1.881 608 HD12 LEU 78 HD12 LEU 78 -0.680 -7.046 -2.138 609 HD13 LEU 78 HD13 LEU 78 -2.172 -7.913 -2.495 610 HD21 LEU 78 HD21 LEU 78 -3.005 -6.044 -5.542 611 HD22 LEU 78 HD22 LEU 78 -3.679 -5.727 -3.943 612 HD23 LEU 78 HD23 LEU 78 -3.471 -7.387 -4.498 613 H GLY 79 HN GLY 79 1.232 -4.210 -5.910 614 HA2 GLY 79 HA2 GLY 79 1.797 -6.695 -7.108 615 HA3 GLY 79 HA1 GLY 79 2.384 -5.134 -7.667 616 H ALA 80 HN ALA 80 3.900 -4.378 -5.464 617 HA ALA 80 HA ALA 80 6.296 -5.841 -5.945 618 HB1 ALA 80 HB1 ALA 80 5.661 -3.668 -3.950 619 HB2 ALA 80 HB2 ALA 80 6.417 -3.477 -5.532 620 HB3 ALA 80 HB3 ALA 80 7.277 -4.318 -4.244 621 H LEU 81 HN LEU 81 4.027 -5.647 -3.232 622 HA LEU 81 HA LEU 81 5.538 -7.266 -1.470 623 HB2 LEU 81 HB2 LEU 81 2.707 -6.340 -1.579 624 HB3 LEU 81 HB1 LEU 81 3.120 -7.639 -0.477 625 HG LEU 81 HG LEU 81 4.356 -4.883 -0.483 626 HD11 LEU 81 HD11 LEU 81 2.378 -6.182 1.382 627 HD12 LEU 81 HD12 LEU 81 2.082 -4.810 0.316 628 HD13 LEU 81 HD13 LEU 81 3.190 -4.645 1.680 629 HD21 LEU 81 HD21 LEU 81 6.003 -6.413 0.283 630 HD22 LEU 81 HD22 LEU 81 4.827 -7.299 1.252 631 HD23 LEU 81 HD23 LEU 81 5.298 -5.664 1.716 632 H LYS 82 HN LYS 82 3.033 -8.014 -3.855 633 HA LYS 82 HA LYS 82 2.708 -10.723 -3.158 634 HB2 LYS 82 HB2 LYS 82 2.125 -9.091 -5.588 635 HB3 LYS 82 HB1 LYS 82 2.088 -10.843 -5.738 636 HG2 LYS 82 HG2 LYS 82 0.444 -10.959 -3.925 637 HG3 LYS 82 HG1 LYS 82 0.471 -9.200 -3.804 638 HD2 LYS 82 HD2 LYS 82 -0.388 -8.996 -6.059 639 HD3 LYS 82 HD1 LYS 82 -0.315 -10.748 -6.273 640 HE2 LYS 82 HE2 LYS 82 -1.976 -11.053 -4.530 641 HE3 LYS 82 HE1 LYS 82 -2.004 -9.318 -4.223 642 HZ1 LYS 82 HZ1 LYS 82 -2.912 -10.717 -6.676 643 HZ2 LYS 82 HZ2 LYS 82 -2.782 -9.037 -6.551 644 HZ3 LYS 82 HZ3 LYS 82 -3.869 -9.876 -5.565 645 H ALA 83 HN ALA 83 4.938 -9.108 -5.368 646 HA ALA 83 HA ALA 83 6.120 -11.462 -6.402 647 HB1 ALA 83 HB1 ALA 83 7.262 -8.676 -6.188 648 HB2 ALA 83 HB2 ALA 83 6.333 -9.322 -7.540 649 HB3 ALA 83 HB3 ALA 83 7.924 -9.985 -7.166 650 H ALA 84 HN ALA 84 6.779 -9.448 -3.608 651 HA ALA 84 HA ALA 84 9.247 -10.630 -2.881 652 HB1 ALA 84 HB1 ALA 84 8.906 -9.548 -0.720 653 HB2 ALA 84 HB2 ALA 84 7.228 -9.210 -1.147 654 HB3 ALA 84 HB3 ALA 84 8.539 -8.444 -2.045 655 H ARG 85 HN ARG 85 5.891 -11.360 -2.137 656 HA ARG 85 HA ARG 85 6.528 -13.364 -0.182 657 HB2 ARG 85 HB2 ARG 85 4.005 -12.438 -1.504 658 HB3 ARG 85 HB1 ARG 85 4.013 -13.934 -0.581 659 HG2 ARG 85 HG2 ARG 85 4.863 -11.259 0.506 660 HG3 ARG 85 HG1 ARG 85 3.255 -11.961 0.707 661 HD2 ARG 85 HD2 ARG 85 4.217 -13.861 1.881 662 HD3 ARG 85 HD1 ARG 85 5.835 -13.215 1.633 663 HE ARG 85 HE ARG 85 5.041 -11.272 3.023 664 HH11 ARG 85 HH11 ARG 85 3.247 -14.240 5.048 665 HH12 ARG 85 HH12 ARG 85 3.685 -14.480 3.388 666 HH21 ARG 85 HH21 ARG 85 4.457 -10.951 5.196 667 HH22 ARG 85 HH22 ARG 85 3.679 -12.228 6.079 668 H GLU 86 HN GLU 86 6.696 -13.312 -3.500 669 HA GLU 86 HA GLU 86 5.886 -16.048 -3.965 670 HB2 GLU 86 HB2 GLU 86 6.930 -13.813 -5.637 671 HB3 GLU 86 HB1 GLU 86 7.131 -15.453 -6.234 672 HG2 GLU 86 HG2 GLU 86 4.458 -15.142 -5.314 673 HG3 GLU 86 HG1 GLU 86 4.852 -13.802 -6.388 674 H GLU 87 HN GLU 87 8.610 -14.547 -2.732 675 HA GLU 87 HA GLU 87 10.278 -16.883 -3.387 676 HB2 GLU 87 HB2 GLU 87 11.006 -13.977 -3.181 677 HB3 GLU 87 HB1 GLU 87 12.210 -15.225 -2.907 678 HG2 GLU 87 HG2 GLU 87 11.687 -16.132 -5.161 679 HG3 GLU 87 HG1 GLU 87 10.629 -14.745 -5.418 680 H1 IHP 101 H37 IHP 0 14.422 10.707 1.492 681 H2 IHP 101 H38 IHP 0 12.682 11.192 3.208 682 H3 IHP 101 H39 IHP 0 12.639 12.393 1.036 683 H4 IHP 101 H40 IHP 0 10.720 10.170 0.196 684 H5 IHP 101 H41 IHP 0 13.477 10.973 -0.817 685 H6 IHP 101 H42 IHP 0 12.510 8.470 0.654 Start of MODEL 18 1 H1 SER 1 HT1 SER 1 4.061 4.638 10.125 2 H2 SER 1 HT2 SER 1 3.639 3.874 11.570 3 H3 SER 1 HT3 SER 1 5.111 3.518 10.831 4 HA SER 1 HA SER 1 4.362 6.165 11.882 5 HB2 SER 1 HB2 SER 1 6.451 4.547 13.213 6 HB3 SER 1 HB1 SER 1 5.228 5.607 13.911 7 HG SER 1 HG SER 1 4.963 3.273 14.293 8 H GLU 2 HN GLU 2 7.220 4.084 11.225 9 HA GLU 2 HA GLU 2 8.251 5.978 9.339 10 HB2 GLU 2 HB2 GLU 2 10.383 6.412 10.572 11 HB3 GLU 2 HB1 GLU 2 8.972 7.189 11.272 12 HG2 GLU 2 HG2 GLU 2 9.335 4.621 12.476 13 HG3 GLU 2 HG1 GLU 2 10.847 5.522 12.537 14 H ALA 3 HN ALA 3 9.064 3.232 11.435 15 HA ALA 3 HA ALA 3 11.170 2.190 9.924 16 HB1 ALA 3 HB1 ALA 3 10.796 0.113 11.131 17 HB2 ALA 3 HB2 ALA 3 9.208 0.681 11.642 18 HB3 ALA 3 HB3 ALA 3 10.660 1.499 12.214 19 H VAL 4 HN VAL 4 7.781 1.060 9.970 20 HA VAL 4 HA VAL 4 8.014 -0.791 7.895 21 HB VAL 4 HB VAL 4 5.575 0.814 8.688 22 HG11 VAL 4 HG11 VAL 4 5.294 -0.196 6.483 23 HG12 VAL 4 HG12 VAL 4 4.271 -0.990 7.680 24 HG13 VAL 4 HG13 VAL 4 5.757 -1.766 7.135 25 HG21 VAL 4 HG21 VAL 4 4.988 -1.090 10.060 26 HG22 VAL 4 HG22 VAL 4 6.576 -0.483 10.524 27 HG23 VAL 4 HG23 VAL 4 6.444 -1.943 9.545 28 H ILE 5 HN ILE 5 7.460 2.668 7.797 29 HA ILE 5 HA ILE 5 6.584 2.972 5.179 30 HB ILE 5 HB ILE 5 8.354 4.831 6.771 31 HG12 ILE 5 HG12 ILE 5 5.349 4.698 6.432 32 HG13 ILE 5 HG11 ILE 5 6.258 4.416 7.914 33 HG21 ILE 5 HG21 ILE 5 6.737 5.321 4.272 34 HG22 ILE 5 HG22 ILE 5 8.494 5.370 4.425 35 HG23 ILE 5 HG23 ILE 5 7.503 6.580 5.238 36 HD11 ILE 5 HD11 ILE 5 5.972 7.028 6.445 37 HD12 ILE 5 HD12 ILE 5 6.989 6.769 7.863 38 HD13 ILE 5 HD13 ILE 5 5.242 6.585 7.988 39 H LYS 6 HN LYS 6 9.922 3.192 6.400 40 HA LYS 6 HA LYS 6 11.105 3.523 3.870 41 HB2 LYS 6 HB2 LYS 6 12.378 2.368 6.355 42 HB3 LYS 6 HB1 LYS 6 13.220 3.046 4.970 43 HG2 LYS 6 HG2 LYS 6 11.550 4.483 7.011 44 HG3 LYS 6 HG1 LYS 6 13.269 4.679 6.672 45 HD2 LYS 6 HD2 LYS 6 11.005 5.413 4.809 46 HD3 LYS 6 HD1 LYS 6 11.951 6.540 5.778 47 HE2 LYS 6 HE2 LYS 6 13.983 5.768 4.569 48 HE3 LYS 6 HE1 LYS 6 12.940 4.805 3.525 49 HZ1 LYS 6 HZ1 LYS 6 11.807 6.867 2.880 50 HZ2 LYS 6 HZ2 LYS 6 13.445 6.890 2.475 51 HZ3 LYS 6 HZ3 LYS 6 12.896 7.757 3.815 52 H VAL 7 HN VAL 7 10.420 0.632 5.775 53 HA VAL 7 HA VAL 7 11.835 -1.225 4.227 54 HB VAL 7 HB VAL 7 9.235 -1.676 5.712 55 HG11 VAL 7 HG11 VAL 7 11.317 -3.604 4.692 56 HG12 VAL 7 HG12 VAL 7 9.627 -3.494 4.196 57 HG13 VAL 7 HG13 VAL 7 10.037 -4.033 5.825 58 HG21 VAL 7 HG21 VAL 7 10.986 -0.768 7.161 59 HG22 VAL 7 HG22 VAL 7 12.090 -2.038 6.627 60 HG23 VAL 7 HG23 VAL 7 10.648 -2.454 7.551 61 H ILE 8 HN ILE 8 8.457 -0.144 3.970 62 HA ILE 8 HA ILE 8 7.794 -1.718 1.727 63 HB ILE 8 HB ILE 8 6.608 0.896 2.671 64 HG12 ILE 8 HG12 ILE 8 6.376 -0.815 4.347 65 HG13 ILE 8 HG11 ILE 8 4.812 -0.600 3.571 66 HG21 ILE 8 HG21 ILE 8 4.669 0.376 1.316 67 HG22 ILE 8 HG22 ILE 8 5.439 -1.102 0.740 68 HG23 ILE 8 HG23 ILE 8 6.108 0.472 0.303 69 HD11 ILE 8 HD11 ILE 8 5.140 -2.920 3.870 70 HD12 ILE 8 HD12 ILE 8 6.764 -2.849 3.187 71 HD13 ILE 8 HD13 ILE 8 5.359 -2.593 2.151 72 H SER 9 HN SER 9 8.871 1.659 1.970 73 HA SER 9 HA SER 9 8.758 2.320 -0.728 74 HB2 SER 9 HB2 SER 9 10.728 3.335 1.330 75 HB3 SER 9 HB1 SER 9 10.294 4.135 -0.182 76 HG SER 9 HG SER 9 9.055 5.054 1.387 77 H SER 10 HN SER 10 11.552 1.056 1.111 78 HA SER 10 HA SER 10 13.308 1.031 -1.088 79 HB2 SER 10 HB2 SER 10 13.371 -0.726 1.374 80 HB3 SER 10 HB1 SER 10 14.723 -0.414 0.287 81 HG SER 10 HG SER 10 13.682 1.919 1.110 82 H ALA 11 HN ALA 11 11.084 -1.394 0.184 83 HA ALA 11 HA ALA 11 11.926 -3.555 -1.392 84 HB1 ALA 11 HB1 ALA 11 9.210 -3.001 -0.207 85 HB2 ALA 11 HB2 ALA 11 10.535 -3.881 0.553 86 HB3 ALA 11 HB3 ALA 11 9.738 -4.549 -0.871 87 H CYS 12 HN CYS 12 9.308 -1.184 -1.993 88 HA CYS 12 HA CYS 12 8.530 -2.383 -4.429 89 HB2 CYS 12 HB2 CYS 12 7.338 -0.246 -4.885 90 HB3 CYS 12 HB1 CYS 12 6.963 -0.953 -3.321 91 HG CYS 12 HG CYS 12 9.398 1.068 -2.730 92 H LYS 13 HN LYS 13 11.025 -0.077 -3.655 93 HA LYS 13 HA LYS 13 11.428 0.867 -6.297 94 HB2 LYS 13 HB2 LYS 13 12.871 1.047 -3.721 95 HB3 LYS 13 HB1 LYS 13 13.847 1.252 -5.172 96 HG2 LYS 13 HG2 LYS 13 12.424 3.054 -5.919 97 HG3 LYS 13 HG1 LYS 13 11.351 2.812 -4.539 98 HD2 LYS 13 HD2 LYS 13 12.956 3.594 -3.016 99 HD3 LYS 13 HD1 LYS 13 14.269 3.413 -4.180 100 HE2 LYS 13 HE2 LYS 13 13.398 5.249 -5.499 101 HE3 LYS 13 HE1 LYS 13 12.005 5.389 -4.427 102 HZ1 LYS 13 HZ1 LYS 13 13.360 6.143 -2.680 103 HZ2 LYS 13 HZ2 LYS 13 13.854 7.010 -4.039 104 HZ3 LYS 13 HZ3 LYS 13 14.790 5.721 -3.476 105 H THR 14 HN THR 14 12.460 -1.998 -4.612 106 HA THR 14 HA THR 14 14.549 -2.620 -6.490 107 HB THR 14 HB THR 14 13.292 -4.607 -4.615 108 HG1 THR 14 HG1 THR 14 15.201 -2.571 -3.995 109 HG21 THR 14 HG21 THR 14 16.136 -4.221 -5.562 110 HG22 THR 14 HG22 THR 14 14.996 -5.395 -6.220 111 HG23 THR 14 HG23 THR 14 15.540 -5.534 -4.548 112 H TYR 15 HN TYR 15 11.147 -3.247 -6.212 113 HA TYR 15 HA TYR 15 11.271 -5.290 -8.297 114 HB2 TYR 15 HB2 TYR 15 9.090 -4.359 -6.448 115 HB3 TYR 15 HB1 TYR 15 8.737 -5.369 -7.850 116 HD1 TYR 15 HD1 TYR 15 10.300 -5.256 -4.539 117 HD2 TYR 15 HD2 TYR 15 9.501 -7.682 -7.942 118 HE1 TYR 15 HE1 TYR 15 10.916 -7.256 -3.251 119 HE2 TYR 15 HE2 TYR 15 10.112 -9.688 -6.661 120 HH TYR 15 HH TYR 15 11.359 -10.338 -4.743 121 H CYS 16 HN CYS 16 9.686 -2.167 -7.682 122 HA CYS 16 HA CYS 16 8.797 -1.994 -10.432 123 HB2 CYS 16 HB2 CYS 16 8.702 0.174 -8.328 124 HB3 CYS 16 HB1 CYS 16 7.717 0.039 -9.781 125 HG CYS 16 HG CYS 16 5.824 -1.405 -8.783 126 H GLY 17 HN GLY 17 10.783 0.114 -8.358 127 HA2 GLY 17 HA2 GLY 17 13.037 0.708 -9.097 128 HA3 GLY 17 HA1 GLY 17 12.413 0.743 -10.742 129 H LYS 18 HN LYS 18 11.861 2.659 -11.539 130 HA LYS 18 HA LYS 18 11.751 4.923 -9.700 131 HB2 LYS 18 HB2 LYS 18 11.921 6.314 -11.738 132 HB3 LYS 18 HB1 LYS 18 13.256 5.182 -11.577 133 HG2 LYS 18 HG2 LYS 18 11.730 3.680 -13.101 134 HG3 LYS 18 HG1 LYS 18 11.039 5.238 -13.557 135 HD2 LYS 18 HD2 LYS 18 13.978 4.563 -13.657 136 HD3 LYS 18 HD1 LYS 18 12.887 4.512 -15.041 137 HE2 LYS 18 HE2 LYS 18 12.467 6.868 -14.861 138 HE3 LYS 18 HE1 LYS 18 13.386 6.962 -13.362 139 HZ1 LYS 18 HZ1 LYS 18 14.581 6.123 -15.940 140 HZ2 LYS 18 HZ2 LYS 18 15.384 6.540 -14.511 141 HZ3 LYS 18 HZ3 LYS 18 14.576 7.726 -15.402 142 H THR 19 HN THR 19 9.654 2.792 -11.060 143 HA THR 19 HA THR 19 7.492 4.666 -11.560 144 HB THR 19 HB THR 19 6.212 2.393 -11.798 145 HG1 THR 19 HG1 THR 19 8.693 1.343 -12.527 146 HG21 THR 19 HG21 THR 19 6.934 2.229 -14.128 147 HG22 THR 19 HG22 THR 19 8.351 3.215 -13.764 148 HG23 THR 19 HG23 THR 19 6.736 3.914 -13.650 149 H SER 20 HN SER 20 8.901 3.420 -8.916 150 HA SER 20 HA SER 20 6.713 2.574 -7.335 151 HB2 SER 20 HB2 SER 20 9.178 3.798 -6.153 152 HB3 SER 20 HB1 SER 20 8.259 2.392 -5.608 153 HG SER 20 HG SER 20 10.357 2.543 -7.350 154 HA PRO 21 HA PRO 21 5.124 6.607 -6.385 155 HB2 PRO 21 HB2 PRO 21 3.297 5.919 -4.548 156 HB3 PRO 21 HB1 PRO 21 3.107 5.449 -6.249 157 HG2 PRO 21 HG2 PRO 21 4.006 3.819 -3.931 158 HG3 PRO 21 HG1 PRO 21 2.972 3.367 -5.300 159 HD2 PRO 21 HD2 PRO 21 5.671 2.782 -5.100 160 HD3 PRO 21 HD1 PRO 21 4.746 2.823 -6.613 161 H SER 22 HN SER 22 5.562 8.219 -4.950 162 HA SER 22 HA SER 22 7.492 7.895 -2.953 163 HB2 SER 22 HB2 SER 22 5.447 10.101 -3.325 164 HB3 SER 22 HB1 SER 22 6.827 10.194 -2.234 165 HG SER 22 HG SER 22 8.206 10.172 -3.943 166 H LYS 23 HN LYS 23 7.332 7.864 -0.663 167 HA LYS 23 HA LYS 23 5.221 6.308 0.344 168 HB2 LYS 23 HB2 LYS 23 6.414 6.172 2.257 169 HB3 LYS 23 HB1 LYS 23 7.684 6.866 1.259 170 HG2 LYS 23 HG2 LYS 23 5.831 8.594 2.857 171 HG3 LYS 23 HG1 LYS 23 7.276 7.869 3.567 172 HD2 LYS 23 HD2 LYS 23 8.704 9.056 2.149 173 HD3 LYS 23 HD1 LYS 23 7.401 9.457 1.026 174 HE2 LYS 23 HE2 LYS 23 6.553 11.105 2.395 175 HE3 LYS 23 HE1 LYS 23 7.270 10.418 3.850 176 HZ1 LYS 23 HZ1 LYS 23 8.367 12.462 3.078 177 HZ2 LYS 23 HZ2 LYS 23 8.816 11.663 1.653 178 HZ3 LYS 23 HZ3 LYS 23 9.416 11.136 3.144 179 H LYS 24 HN LYS 24 5.359 9.637 -0.263 180 HA LYS 24 HA LYS 24 3.613 10.640 1.713 181 HB2 LYS 24 HB2 LYS 24 4.198 11.551 -1.112 182 HB3 LYS 24 HB1 LYS 24 3.120 12.428 -0.036 183 HG2 LYS 24 HG2 LYS 24 5.019 12.643 1.571 184 HG3 LYS 24 HG1 LYS 24 6.063 11.926 0.342 185 HD2 LYS 24 HD2 LYS 24 4.429 14.179 -0.599 186 HD3 LYS 24 HD1 LYS 24 5.613 14.598 0.640 187 HE2 LYS 24 HE2 LYS 24 6.427 12.933 -1.712 188 HE3 LYS 24 HE1 LYS 24 6.285 14.680 -1.879 189 HZ1 LYS 24 HZ1 LYS 24 8.529 14.098 -1.324 190 HZ2 LYS 24 HZ2 LYS 24 8.031 13.224 0.029 191 HZ3 LYS 24 HZ3 LYS 24 7.843 14.904 -0.006 192 H GLU 25 HN GLU 25 3.104 9.055 -1.372 193 HA GLU 25 HA GLU 25 0.273 9.417 -1.466 194 HB2 GLU 25 HB2 GLU 25 2.091 7.440 -2.866 195 HB3 GLU 25 HB1 GLU 25 0.387 7.660 -3.235 196 HG2 GLU 25 HG2 GLU 25 2.118 10.055 -3.333 197 HG3 GLU 25 HG1 GLU 25 2.320 8.851 -4.604 198 H ILE 26 HN ILE 26 2.489 6.974 -0.287 199 HA ILE 26 HA ILE 26 0.537 4.981 0.260 200 HB ILE 26 HB ILE 26 3.207 5.231 1.642 201 HG12 ILE 26 HG12 ILE 26 2.622 3.982 -1.055 202 HG13 ILE 26 HG11 ILE 26 3.505 5.484 -0.804 203 HG21 ILE 26 HG21 ILE 26 1.669 3.525 2.504 204 HG22 ILE 26 HG22 ILE 26 3.084 2.798 1.742 205 HG23 ILE 26 HG23 ILE 26 1.541 2.829 0.888 206 HD11 ILE 26 HD11 ILE 26 4.339 2.724 0.038 207 HD12 ILE 26 HD12 ILE 26 5.200 4.198 0.478 208 HD13 ILE 26 HD13 ILE 26 5.068 3.725 -1.217 209 H GLY 27 HN GLY 27 1.934 7.628 2.095 210 HA2 GLY 27 HA2 GLY 27 0.989 6.955 4.649 211 HA3 GLY 27 HA1 GLY 27 1.347 8.584 4.093 212 H ALA 28 HN ALA 28 -0.493 8.961 2.119 213 HA ALA 28 HA ALA 28 -2.826 9.601 3.555 214 HB1 ALA 28 HB1 ALA 28 -2.071 10.776 1.511 215 HB2 ALA 28 HB2 ALA 28 -3.760 10.274 1.430 216 HB3 ALA 28 HB3 ALA 28 -2.526 9.360 0.564 217 H MET 29 HN MET 29 -1.960 6.899 1.495 218 HA MET 29 HA MET 29 -4.525 5.705 1.373 219 HB2 MET 29 HB2 MET 29 -2.724 5.171 -0.215 220 HB3 MET 29 HB1 MET 29 -1.796 4.432 1.080 221 HG2 MET 29 HG2 MET 29 -3.671 2.809 1.385 222 HG3 MET 29 HG1 MET 29 -4.411 3.488 -0.063 223 HE1 MET 29 HE1 MET 29 -0.716 2.540 0.980 224 HE2 MET 29 HE2 MET 29 -0.539 1.012 0.119 225 HE3 MET 29 HE3 MET 29 -1.724 1.162 1.419 226 H LEU 30 HN LEU 30 -1.731 5.238 3.487 227 HA LEU 30 HA LEU 30 -2.699 3.091 4.994 228 HB2 LEU 30 HB2 LEU 30 -0.471 4.840 5.065 229 HB3 LEU 30 HB1 LEU 30 -1.189 4.861 6.665 230 HG LEU 30 HG LEU 30 -1.037 2.366 6.702 231 HD11 LEU 30 HD11 LEU 30 0.615 2.772 4.213 232 HD12 LEU 30 HD12 LEU 30 -0.973 2.004 4.277 233 HD13 LEU 30 HD13 LEU 30 0.402 1.257 5.090 234 HD21 LEU 30 HD21 LEU 30 1.336 2.313 7.181 235 HD22 LEU 30 HD22 LEU 30 0.644 3.826 7.766 236 HD23 LEU 30 HD23 LEU 30 1.580 3.804 6.272 237 H SER 31 HN SER 31 -2.982 6.578 5.522 238 HA SER 31 HA SER 31 -4.417 6.460 7.938 239 HB2 SER 31 HB2 SER 31 -3.306 8.502 6.954 240 HB3 SER 31 HB1 SER 31 -4.647 8.610 5.815 241 HG SER 31 HG SER 31 -5.696 9.614 7.312 242 H LEU 32 HN LEU 32 -5.415 6.317 4.576 243 HA LEU 32 HA LEU 32 -8.205 6.539 5.011 244 HB2 LEU 32 HB2 LEU 32 -6.814 6.782 2.831 245 HB3 LEU 32 HB1 LEU 32 -6.965 5.042 2.715 246 HG LEU 32 HG LEU 32 -8.622 6.537 1.413 247 HD11 LEU 32 HD11 LEU 32 -8.834 4.126 1.570 248 HD12 LEU 32 HD12 LEU 32 -10.414 4.901 1.695 249 HD13 LEU 32 HD13 LEU 32 -9.615 4.284 3.142 250 HD21 LEU 32 HD21 LEU 32 -10.591 7.236 2.596 251 HD22 LEU 32 HD22 LEU 32 -9.179 7.969 3.359 252 HD23 LEU 32 HD23 LEU 32 -9.962 6.580 4.106 253 H LEU 33 HN LEU 33 -6.019 3.774 4.648 254 HA LEU 33 HA LEU 33 -7.948 1.740 4.767 255 HB2 LEU 33 HB2 LEU 33 -5.095 1.639 5.756 256 HB3 LEU 33 HB1 LEU 33 -6.104 0.256 5.380 257 HG LEU 33 HG LEU 33 -5.117 2.306 3.389 258 HD11 LEU 33 HD11 LEU 33 -3.331 0.871 4.194 259 HD12 LEU 33 HD12 LEU 33 -3.750 0.460 2.530 260 HD13 LEU 33 HD13 LEU 33 -4.303 -0.561 3.858 261 HD21 LEU 33 HD21 LEU 33 -6.715 -0.220 2.991 262 HD22 LEU 33 HD22 LEU 33 -6.019 0.764 1.706 263 HD23 LEU 33 HD23 LEU 33 -7.283 1.430 2.741 264 H GLN 34 HN GLN 34 -6.139 3.364 7.330 265 HA GLN 34 HA GLN 34 -7.151 1.730 9.428 266 HB2 GLN 34 HB2 GLN 34 -5.544 4.216 9.237 267 HB3 GLN 34 HB1 GLN 34 -6.362 3.913 10.762 268 HG2 GLN 34 HG2 GLN 34 -5.202 1.875 11.082 269 HG3 GLN 34 HG1 GLN 34 -4.588 1.889 9.430 270 HE21 GLN 34 HE21 GLN 34 -3.218 1.777 12.054 271 HE22 GLN 34 HE22 GLN 34 -2.090 3.091 12.033 272 H LYS 35 HN LYS 35 -8.193 4.816 8.039 273 HA LYS 35 HA LYS 35 -10.151 5.237 10.098 274 HB2 LYS 35 HB2 LYS 35 -10.594 7.266 9.120 275 HB3 LYS 35 HB1 LYS 35 -8.953 6.989 8.565 276 HG2 LYS 35 HG2 LYS 35 -9.803 7.558 6.570 277 HG3 LYS 35 HG1 LYS 35 -10.354 5.881 6.535 278 HD2 LYS 35 HD2 LYS 35 -12.537 6.467 7.165 279 HD3 LYS 35 HD1 LYS 35 -12.042 8.061 7.738 280 HE2 LYS 35 HE2 LYS 35 -11.861 8.912 5.587 281 HE3 LYS 35 HE1 LYS 35 -11.721 7.313 4.859 282 HZ1 LYS 35 HZ1 LYS 35 -13.995 6.913 5.133 283 HZ2 LYS 35 HZ2 LYS 35 -13.912 8.508 4.562 284 HZ3 LYS 35 HZ3 LYS 35 -14.199 8.213 6.200 285 H GLU 36 HN GLU 36 -10.089 3.487 7.123 286 HA GLU 36 HA GLU 36 -12.990 3.401 6.951 287 HB2 GLU 36 HB2 GLU 36 -10.759 2.401 5.236 288 HB3 GLU 36 HB1 GLU 36 -12.354 1.678 5.071 289 HG2 GLU 36 HG2 GLU 36 -11.600 4.561 4.656 290 HG3 GLU 36 HG1 GLU 36 -12.143 3.403 3.444 291 H GLY 37 HN GLY 37 -10.703 1.846 8.752 292 HA2 GLY 37 HA2 GLY 37 -10.979 0.079 10.227 293 HA3 GLY 37 HA1 GLY 37 -12.573 -0.198 9.541 294 H LEU 38 HN LEU 38 -9.964 -0.031 7.329 295 HA LEU 38 HA LEU 38 -10.341 -2.797 6.607 296 HB2 LEU 38 HB2 LEU 38 -8.641 -0.570 5.514 297 HB3 LEU 38 HB1 LEU 38 -8.487 -2.214 4.930 298 HG LEU 38 HG LEU 38 -11.065 -0.660 4.863 299 HD11 LEU 38 HD11 LEU 38 -9.029 -1.086 2.686 300 HD12 LEU 38 HD12 LEU 38 -9.446 0.447 3.448 301 HD13 LEU 38 HD13 LEU 38 -10.637 -0.400 2.460 302 HD21 LEU 38 HD21 LEU 38 -11.708 -2.412 3.242 303 HD22 LEU 38 HD22 LEU 38 -11.406 -3.039 4.861 304 HD23 LEU 38 HD23 LEU 38 -10.197 -3.252 3.595 305 H LEU 39 HN LEU 39 -7.870 -0.808 8.081 306 HA LEU 39 HA LEU 39 -6.538 -3.209 9.098 307 HB2 LEU 39 HB2 LEU 39 -5.154 -0.856 7.790 308 HB3 LEU 39 HB1 LEU 39 -4.326 -2.079 8.734 309 HG LEU 39 HG LEU 39 -5.778 -2.514 6.121 310 HD11 LEU 39 HD11 LEU 39 -2.847 -2.683 6.808 311 HD12 LEU 39 HD12 LEU 39 -3.613 -1.351 5.946 312 HD13 LEU 39 HD13 LEU 39 -3.575 -2.962 5.225 313 HD21 LEU 39 HD21 LEU 39 -4.419 -4.780 6.477 314 HD22 LEU 39 HD22 LEU 39 -6.075 -4.573 7.049 315 HD23 LEU 39 HD23 LEU 39 -4.727 -4.385 8.168 316 H MET 40 HN MET 40 -4.917 -2.500 10.874 317 HA MET 40 HA MET 40 -6.019 -0.162 12.286 318 HB2 MET 40 HB2 MET 40 -6.781 -2.469 13.164 319 HB3 MET 40 HB1 MET 40 -5.137 -2.619 13.770 320 HG2 MET 40 HG2 MET 40 -5.515 -0.395 14.929 321 HG3 MET 40 HG1 MET 40 -7.220 -0.595 14.533 322 HE1 MET 40 HE1 MET 40 -4.773 -3.149 17.475 323 HE2 MET 40 HE2 MET 40 -4.229 -1.673 16.679 324 HE3 MET 40 HE3 MET 40 -4.411 -3.160 15.750 325 H SER 41 HN SER 41 -3.285 -2.312 11.752 326 HA SER 41 HA SER 41 -1.544 -0.243 12.942 327 HB2 SER 41 HB2 SER 41 -0.689 -3.100 12.609 328 HB3 SER 41 HB1 SER 41 -0.124 -1.901 13.772 329 HG SER 41 HG SER 41 -2.354 -3.567 13.855 330 HA PRO 42 HA PRO 42 0.332 0.252 8.951 331 HB2 PRO 42 HB2 PRO 42 2.956 0.682 9.681 332 HB3 PRO 42 HB1 PRO 42 1.687 1.918 9.788 333 HG2 PRO 42 HG2 PRO 42 2.814 0.186 11.926 334 HG3 PRO 42 HG1 PRO 42 2.354 1.898 11.983 335 HD2 PRO 42 HD2 PRO 42 0.781 -0.028 13.010 336 HD3 PRO 42 HD1 PRO 42 0.111 1.429 12.249 337 H SER 43 HN SER 43 1.681 -1.986 11.253 338 HA SER 43 HA SER 43 3.345 -3.406 9.425 339 HB2 SER 43 HB2 SER 43 2.891 -5.086 11.569 340 HB3 SER 43 HB1 SER 43 4.165 -3.869 11.472 341 HG SER 43 HG SER 43 2.488 -3.896 13.313 342 H ASP 44 HN ASP 44 0.056 -3.227 9.689 343 HA ASP 44 HA ASP 44 -0.735 -5.944 9.419 344 HB2 ASP 44 HB2 ASP 44 -2.054 -3.299 8.947 345 HB3 ASP 44 HB1 ASP 44 -2.804 -4.748 8.290 346 H LEU 45 HN LEU 45 0.692 -3.698 7.301 347 HA LEU 45 HA LEU 45 -0.284 -4.525 4.802 348 HB2 LEU 45 HB2 LEU 45 2.078 -3.047 5.795 349 HB3 LEU 45 HB1 LEU 45 2.237 -3.761 4.204 350 HG LEU 45 HG LEU 45 1.543 -1.433 4.059 351 HD11 LEU 45 HD11 LEU 45 0.776 -3.066 2.371 352 HD12 LEU 45 HD12 LEU 45 -0.317 -1.696 2.567 353 HD13 LEU 45 HD13 LEU 45 -0.723 -3.255 3.282 354 HD21 LEU 45 HD21 LEU 45 -0.682 -0.743 4.841 355 HD22 LEU 45 HD22 LEU 45 0.381 -1.205 6.171 356 HD23 LEU 45 HD23 LEU 45 -0.877 -2.313 5.622 357 H TYR 46 HN TYR 46 1.863 -6.048 6.996 358 HA TYR 46 HA TYR 46 3.163 -7.690 5.008 359 HB2 TYR 46 HB2 TYR 46 3.267 -7.836 8.021 360 HB3 TYR 46 HB1 TYR 46 4.287 -8.751 6.918 361 HD1 TYR 46 HD1 TYR 46 5.297 -6.947 5.002 362 HD2 TYR 46 HD2 TYR 46 4.437 -6.194 9.099 363 HE1 TYR 46 HE1 TYR 46 6.937 -5.114 5.004 364 HE2 TYR 46 HE2 TYR 46 6.070 -4.356 9.115 365 HH TYR 46 HH TYR 46 8.182 -3.762 7.740 366 H SER 47 HN SER 47 0.132 -7.767 6.217 367 HA SER 47 HA SER 47 -0.000 -10.674 6.510 368 HB2 SER 47 HB2 SER 47 -2.169 -8.593 6.898 369 HB3 SER 47 HB1 SER 47 -2.294 -10.306 7.302 370 HG SER 47 HG SER 47 -0.105 -9.285 8.456 371 HA PRO 48 HA PRO 48 -0.992 -10.528 2.083 372 HB2 PRO 48 HB2 PRO 48 -0.884 -13.254 1.757 373 HB3 PRO 48 HB1 PRO 48 0.534 -12.193 1.708 374 HG2 PRO 48 HG2 PRO 48 -0.470 -13.889 3.931 375 HG3 PRO 48 HG1 PRO 48 1.197 -13.584 3.402 376 HD2 PRO 48 HD2 PRO 48 0.125 -12.370 5.553 377 HD3 PRO 48 HD1 PRO 48 1.332 -11.581 4.518 378 H GLY 49 HN GLY 49 -2.542 -12.438 4.593 379 HA2 GLY 49 HA2 GLY 49 -4.761 -13.264 3.005 380 HA3 GLY 49 HA1 GLY 49 -4.674 -13.302 4.759 381 H SER 50 HN SER 50 -4.013 -10.354 4.722 382 HA SER 50 HA SER 50 -6.767 -9.466 4.770 383 HB2 SER 50 HB2 SER 50 -4.267 -7.941 5.525 384 HB3 SER 50 HB1 SER 50 -5.928 -7.517 5.938 385 HG SER 50 HG SER 50 -5.036 -8.555 7.692 386 H TRP 51 HN TRP 51 -4.359 -9.539 2.477 387 HA TRP 51 HA TRP 51 -4.619 -6.970 1.311 388 HB2 TRP 51 HB2 TRP 51 -3.717 -9.607 0.151 389 HB3 TRP 51 HB1 TRP 51 -3.670 -8.095 -0.742 390 HD1 TRP 51 HD1 TRP 51 -2.689 -6.715 2.302 391 HE1 TRP 51 HE1 TRP 51 -0.143 -6.804 2.716 392 HE3 TRP 51 HE3 TRP 51 -1.435 -10.299 -1.123 393 HZ2 TRP 51 HZ2 TRP 51 2.088 -8.201 1.719 394 HZ3 TRP 51 HZ3 TRP 51 0.928 -10.954 -1.331 395 HH2 TRP 51 HH2 TRP 51 2.649 -9.925 0.061 396 H ASP 52 HN ASP 52 -6.391 -9.975 0.929 397 HA ASP 52 HA ASP 52 -7.742 -9.336 -1.446 398 HB2 ASP 52 HB2 ASP 52 -7.644 -11.535 0.218 399 HB3 ASP 52 HB1 ASP 52 -9.311 -10.992 0.376 400 HA PRO 53 HA PRO 53 -11.532 -7.840 1.273 401 HB2 PRO 53 HB2 PRO 53 -10.723 -6.851 3.749 402 HB3 PRO 53 HB1 PRO 53 -11.534 -8.404 3.477 403 HG2 PRO 53 HG2 PRO 53 -8.655 -7.826 3.889 404 HG3 PRO 53 HG1 PRO 53 -9.625 -9.209 4.432 405 HD2 PRO 53 HD2 PRO 53 -7.937 -9.398 2.358 406 HD3 PRO 53 HD1 PRO 53 -9.472 -10.290 2.401 407 H ILE 54 HN ILE 54 -8.316 -6.411 1.709 408 HA ILE 54 HA ILE 54 -9.231 -3.711 1.747 409 HB ILE 54 HB ILE 54 -6.496 -4.806 1.076 410 HG12 ILE 54 HG12 ILE 54 -7.507 -3.533 3.631 411 HG13 ILE 54 HG11 ILE 54 -7.358 -5.269 3.383 412 HG21 ILE 54 HG21 ILE 54 -5.717 -2.497 1.560 413 HG22 ILE 54 HG22 ILE 54 -7.401 -1.982 1.627 414 HG23 ILE 54 HG23 ILE 54 -6.731 -2.607 0.121 415 HD11 ILE 54 HD11 ILE 54 -5.477 -4.393 4.632 416 HD12 ILE 54 HD12 ILE 54 -5.101 -3.286 3.310 417 HD13 ILE 54 HD13 ILE 54 -4.959 -5.027 3.070 418 H THR 55 HN THR 55 -7.742 -5.724 -0.775 419 HA THR 55 HA THR 55 -7.796 -3.854 -2.845 420 HB THR 55 HB THR 55 -8.143 -6.848 -3.149 421 HG1 THR 55 HG1 THR 55 -6.271 -6.660 -2.045 422 HG21 THR 55 HG21 THR 55 -6.988 -6.458 -5.308 423 HG22 THR 55 HG22 THR 55 -7.062 -4.722 -5.004 424 HG23 THR 55 HG23 THR 55 -8.550 -5.646 -5.215 425 H ALA 56 HN ALA 56 -10.222 -6.217 -1.814 426 HA ALA 56 HA ALA 56 -12.079 -5.771 -3.867 427 HB1 ALA 56 HB1 ALA 56 -12.470 -6.719 -1.036 428 HB2 ALA 56 HB2 ALA 56 -12.268 -7.710 -2.481 429 HB3 ALA 56 HB3 ALA 56 -13.726 -6.748 -2.268 430 H ALA 57 HN ALA 57 -11.888 -4.361 -0.601 431 HA ALA 57 HA ALA 57 -14.137 -2.693 -0.821 432 HB1 ALA 57 HB1 ALA 57 -13.133 -3.227 1.328 433 HB2 ALA 57 HB2 ALA 57 -13.192 -1.480 1.095 434 HB3 ALA 57 HB3 ALA 57 -11.671 -2.346 0.883 435 H LEU 58 HN LEU 58 -10.701 -2.048 -1.458 436 HA LEU 58 HA LEU 58 -11.022 0.686 -2.041 437 HB2 LEU 58 HB2 LEU 58 -8.909 -1.302 -2.827 438 HB3 LEU 58 HB1 LEU 58 -8.833 0.383 -3.306 439 HG LEU 58 HG LEU 58 -8.857 -0.643 -0.467 440 HD11 LEU 58 HD11 LEU 58 -6.564 0.189 -0.399 441 HD12 LEU 58 HD12 LEU 58 -6.669 0.623 -2.104 442 HD13 LEU 58 HD13 LEU 58 -6.753 -1.070 -1.619 443 HD21 LEU 58 HD21 LEU 58 -9.952 1.474 -0.499 444 HD22 LEU 58 HD22 LEU 58 -8.742 2.150 -1.588 445 HD23 LEU 58 HD23 LEU 58 -8.305 1.740 0.071 446 H SER 59 HN SER 59 -11.143 -2.179 -4.129 447 HA SER 59 HA SER 59 -11.382 -0.726 -6.553 448 HB2 SER 59 HB2 SER 59 -12.364 -3.525 -5.950 449 HB3 SER 59 HB1 SER 59 -12.053 -2.839 -7.546 450 HG SER 59 HG SER 59 -10.221 -3.550 -5.520 451 H GLN 60 HN GLN 60 -13.655 -1.821 -4.141 452 HA GLN 60 HA GLN 60 -16.039 -1.460 -5.582 453 HB2 GLN 60 HB2 GLN 60 -15.819 -2.662 -3.397 454 HB3 GLN 60 HB1 GLN 60 -15.633 -1.103 -2.606 455 HG2 GLN 60 HG2 GLN 60 -17.877 -0.474 -3.486 456 HG3 GLN 60 HG1 GLN 60 -18.045 -2.127 -4.077 457 HE21 GLN 60 HE21 GLN 60 -16.503 -1.164 -1.066 458 HE22 GLN 60 HE22 GLN 60 -17.661 -1.921 -0.027 459 H ARG 61 HN ARG 61 -14.502 0.722 -3.197 460 HA ARG 61 HA ARG 61 -16.258 2.864 -3.734 461 HB2 ARG 61 HB2 ARG 61 -14.597 4.273 -2.543 462 HB3 ARG 61 HB1 ARG 61 -15.058 2.833 -1.654 463 HG2 ARG 61 HG2 ARG 61 -12.975 1.742 -2.385 464 HG3 ARG 61 HG1 ARG 61 -12.512 3.230 -3.214 465 HD2 ARG 61 HD2 ARG 61 -13.244 3.359 -0.328 466 HD3 ARG 61 HD1 ARG 61 -11.674 2.695 -0.770 467 HE ARG 61 HE ARG 61 -11.103 4.820 -1.746 468 HH11 ARG 61 HH11 ARG 61 -14.037 6.532 0.410 469 HH12 ARG 61 HH12 ARG 61 -14.046 4.817 0.165 470 HH21 ARG 61 HH21 ARG 61 -11.060 7.055 -1.385 471 HH22 ARG 61 HH22 ARG 61 -12.334 7.810 -0.468 472 H ALA 62 HN ALA 62 -13.338 1.800 -5.289 473 HA ALA 62 HA ALA 62 -12.666 4.189 -6.616 474 HB1 ALA 62 HB1 ALA 62 -12.170 1.376 -7.577 475 HB2 ALA 62 HB2 ALA 62 -11.158 2.238 -6.415 476 HB3 ALA 62 HB3 ALA 62 -11.307 2.831 -8.070 477 H MET 63 HN MET 63 -14.883 1.574 -7.456 478 HA MET 63 HA MET 63 -15.454 2.807 -10.024 479 HB2 MET 63 HB2 MET 63 -16.756 0.870 -10.534 480 HB3 MET 63 HB1 MET 63 -15.263 0.329 -9.787 481 HG2 MET 63 HG2 MET 63 -16.443 0.020 -7.666 482 HG3 MET 63 HG1 MET 63 -17.942 0.537 -8.435 483 HE1 MET 63 HE1 MET 63 -15.001 -1.804 -9.720 484 HE2 MET 63 HE2 MET 63 -15.673 -3.380 -9.303 485 HE3 MET 63 HE3 MET 63 -15.268 -2.229 -8.032 486 H ILE 64 HN ILE 64 -16.852 2.635 -6.840 487 HA ILE 64 HA ILE 64 -19.445 3.554 -7.731 488 HB ILE 64 HB ILE 64 -18.307 3.241 -4.949 489 HG12 ILE 64 HG12 ILE 64 -20.331 1.611 -6.500 490 HG13 ILE 64 HG11 ILE 64 -18.672 1.134 -6.162 491 HG21 ILE 64 HG21 ILE 64 -20.613 3.552 -4.149 492 HG22 ILE 64 HG22 ILE 64 -21.121 3.945 -5.791 493 HG23 ILE 64 HG23 ILE 64 -19.988 4.996 -4.941 494 HD11 ILE 64 HD11 ILE 64 -20.885 1.516 -4.162 495 HD12 ILE 64 HD12 ILE 64 -19.207 1.165 -3.747 496 HD13 ILE 64 HD13 ILE 64 -20.154 -0.008 -4.665 497 H LEU 65 HN LEU 65 -16.718 4.956 -5.906 498 HA LEU 65 HA LEU 65 -17.925 7.558 -5.804 499 HB2 LEU 65 HB2 LEU 65 -16.253 6.556 -4.154 500 HB3 LEU 65 HB1 LEU 65 -15.023 6.902 -5.352 501 HG LEU 65 HG LEU 65 -15.544 9.298 -5.201 502 HD11 LEU 65 HD11 LEU 65 -17.484 8.432 -3.069 503 HD12 LEU 65 HD12 LEU 65 -17.880 9.195 -4.608 504 HD13 LEU 65 HD13 LEU 65 -16.995 10.095 -3.379 505 HD21 LEU 65 HD21 LEU 65 -13.814 8.310 -3.776 506 HD22 LEU 65 HD22 LEU 65 -15.022 8.022 -2.523 507 HD23 LEU 65 HD23 LEU 65 -14.614 9.671 -2.993 508 H GLY 66 HN GLY 66 -15.767 5.857 -7.921 509 HA2 GLY 66 HA2 GLY 66 -15.536 6.424 -10.201 510 HA3 GLY 66 HA1 GLY 66 -15.958 8.080 -9.806 511 H LYS 67 HN LYS 67 -13.634 6.822 -7.672 512 HA LYS 67 HA LYS 67 -11.441 7.781 -9.358 513 HB2 LYS 67 HB2 LYS 67 -10.504 9.141 -7.607 514 HB3 LYS 67 HB1 LYS 67 -12.145 9.671 -7.938 515 HG2 LYS 67 HG2 LYS 67 -12.862 9.163 -5.870 516 HG3 LYS 67 HG1 LYS 67 -11.871 7.704 -5.769 517 HD2 LYS 67 HD2 LYS 67 -9.897 9.053 -5.324 518 HD3 LYS 67 HD1 LYS 67 -10.845 10.530 -5.498 519 HE2 LYS 67 HE2 LYS 67 -12.159 9.978 -3.567 520 HE3 LYS 67 HE1 LYS 67 -11.380 8.403 -3.438 521 HZ1 LYS 67 HZ1 LYS 67 -10.621 10.508 -2.040 522 HZ2 LYS 67 HZ2 LYS 67 -9.626 10.721 -3.391 523 HZ3 LYS 67 HZ3 LYS 67 -9.549 9.279 -2.500 524 H SER 68 HN SER 68 -9.686 6.570 -9.272 525 HA SER 68 HA SER 68 -9.583 4.411 -7.289 526 HB2 SER 68 HB2 SER 68 -7.787 3.564 -8.976 527 HB3 SER 68 HB1 SER 68 -9.488 3.466 -9.432 528 HG SER 68 HG SER 68 -7.768 4.481 -10.922 529 H GLY 69 HN GLY 69 -8.815 7.157 -6.701 530 HA2 GLY 69 HA2 GLY 69 -6.113 7.738 -6.809 531 HA3 GLY 69 HA1 GLY 69 -7.192 8.263 -5.528 532 H GLU 70 HN GLU 70 -7.796 5.990 -4.201 533 HA GLU 70 HA GLU 70 -5.357 5.477 -2.792 534 HB2 GLU 70 HB2 GLU 70 -8.105 4.254 -2.453 535 HB3 GLU 70 HB1 GLU 70 -6.755 4.044 -1.347 536 HG2 GLU 70 HG2 GLU 70 -7.834 5.707 -0.267 537 HG3 GLU 70 HG1 GLU 70 -6.828 6.684 -1.332 538 H LEU 71 HN LEU 71 -7.349 3.777 -5.100 539 HA LEU 71 HA LEU 71 -6.257 1.200 -4.802 540 HB2 LEU 71 HB2 LEU 71 -8.197 2.408 -6.412 541 HB3 LEU 71 HB1 LEU 71 -7.007 1.792 -7.539 542 HG LEU 71 HG LEU 71 -8.640 0.230 -5.548 543 HD11 LEU 71 HD11 LEU 71 -9.732 0.755 -7.652 544 HD12 LEU 71 HD12 LEU 71 -9.357 -0.966 -7.561 545 HD13 LEU 71 HD13 LEU 71 -8.360 0.106 -8.544 546 HD21 LEU 71 HD21 LEU 71 -6.483 -0.737 -5.377 547 HD22 LEU 71 HD22 LEU 71 -6.223 -0.637 -7.117 548 HD23 LEU 71 HD23 LEU 71 -7.414 -1.765 -6.469 549 H LYS 72 HN LYS 72 -5.243 3.977 -6.723 550 HA LYS 72 HA LYS 72 -3.376 2.769 -8.398 551 HB2 LYS 72 HB2 LYS 72 -3.402 5.500 -7.128 552 HB3 LYS 72 HB1 LYS 72 -2.194 5.016 -8.306 553 HG2 LYS 72 HG2 LYS 72 -4.107 4.532 -9.880 554 HG3 LYS 72 HG1 LYS 72 -5.152 5.343 -8.712 555 HD2 LYS 72 HD2 LYS 72 -2.737 6.563 -10.054 556 HD3 LYS 72 HD1 LYS 72 -4.417 6.863 -10.494 557 HE2 LYS 72 HE2 LYS 72 -4.853 8.025 -8.517 558 HE3 LYS 72 HE1 LYS 72 -3.439 7.359 -7.705 559 HZ1 LYS 72 HZ1 LYS 72 -3.336 9.255 -9.980 560 HZ2 LYS 72 HZ2 LYS 72 -2.018 8.684 -9.084 561 HZ3 LYS 72 HZ3 LYS 72 -3.163 9.687 -8.355 562 H THR 73 HN THR 73 -2.804 4.275 -5.232 563 HA THR 73 HA THR 73 -0.089 3.585 -5.058 564 HB THR 73 HB THR 73 -1.847 3.902 -2.641 565 HG1 THR 73 HG1 THR 73 -1.590 6.193 -2.964 566 HG21 THR 73 HG21 THR 73 0.969 4.733 -3.327 567 HG22 THR 73 HG22 THR 73 0.485 3.460 -2.208 568 HG23 THR 73 HG23 THR 73 0.142 5.150 -1.828 569 H TRP 74 HN TRP 74 -3.016 1.983 -3.856 570 HA TRP 74 HA TRP 74 -1.794 -0.078 -2.424 571 HB2 TRP 74 HB2 TRP 74 -4.170 0.396 -2.204 572 HB3 TRP 74 HB1 TRP 74 -4.443 -0.060 -3.883 573 HD1 TRP 74 HD1 TRP 74 -5.234 -2.469 -4.234 574 HE1 TRP 74 HE1 TRP 74 -5.214 -4.645 -2.852 575 HE3 TRP 74 HE3 TRP 74 -2.554 -0.836 -0.188 576 HZ2 TRP 74 HZ2 TRP 74 -4.194 -5.541 -0.381 577 HZ3 TRP 74 HZ3 TRP 74 -2.107 -2.422 1.639 578 HH2 TRP 74 HH2 TRP 74 -2.908 -4.722 1.542 579 H GLY 75 HN GLY 75 -2.987 -0.088 -5.785 580 HA2 GLY 75 HA2 GLY 75 -2.278 -2.700 -6.432 581 HA3 GLY 75 HA1 GLY 75 -2.405 -1.383 -7.586 582 H LEU 76 HN LEU 76 -0.312 0.229 -6.537 583 HA LEU 76 HA LEU 76 1.910 -0.957 -7.843 584 HB2 LEU 76 HB2 LEU 76 1.593 1.527 -6.175 585 HB3 LEU 76 HB1 LEU 76 3.140 1.054 -6.849 586 HG LEU 76 HG LEU 76 0.673 1.552 -8.515 587 HD11 LEU 76 HD11 LEU 76 1.281 3.621 -7.442 588 HD12 LEU 76 HD12 LEU 76 1.780 3.676 -9.132 589 HD13 LEU 76 HD13 LEU 76 2.977 3.388 -7.871 590 HD21 LEU 76 HD21 LEU 76 2.290 1.655 -10.354 591 HD22 LEU 76 HD22 LEU 76 2.298 0.082 -9.557 592 HD23 LEU 76 HD23 LEU 76 3.585 1.244 -9.231 593 H VAL 77 HN VAL 77 1.177 -0.321 -4.430 594 HA VAL 77 HA VAL 77 3.619 -1.394 -3.446 595 HB VAL 77 HB VAL 77 0.964 -1.019 -2.048 596 HG11 VAL 77 HG11 VAL 77 2.351 -2.702 -0.909 597 HG12 VAL 77 HG12 VAL 77 2.172 -1.231 0.047 598 HG13 VAL 77 HG13 VAL 77 3.673 -1.537 -0.827 599 HG21 VAL 77 HG21 VAL 77 3.463 0.668 -2.056 600 HG22 VAL 77 HG22 VAL 77 2.020 0.971 -1.090 601 HG23 VAL 77 HG23 VAL 77 1.935 1.060 -2.849 602 H LEU 78 HN LEU 78 0.380 -2.736 -3.894 603 HA LEU 78 HA LEU 78 0.809 -5.243 -2.725 604 HB2 LEU 78 HB2 LEU 78 -1.395 -4.302 -3.332 605 HB3 LEU 78 HB1 LEU 78 -1.011 -4.535 -5.027 606 HG LEU 78 HG LEU 78 -0.874 -6.986 -4.610 607 HD11 LEU 78 HD11 LEU 78 -1.876 -6.189 -1.885 608 HD12 LEU 78 HD12 LEU 78 -0.353 -6.992 -2.264 609 HD13 LEU 78 HD13 LEU 78 -1.882 -7.835 -2.516 610 HD21 LEU 78 HD21 LEU 78 -2.913 -5.976 -5.494 611 HD22 LEU 78 HD22 LEU 78 -3.486 -5.679 -3.852 612 HD23 LEU 78 HD23 LEU 78 -3.286 -7.333 -4.432 613 H GLY 79 HN GLY 79 1.302 -4.144 -6.055 614 HA2 GLY 79 HA2 GLY 79 1.907 -6.631 -7.197 615 HA3 GLY 79 HA1 GLY 79 2.447 -5.075 -7.805 616 H ALA 80 HN ALA 80 3.855 -4.486 -5.266 617 HA ALA 80 HA ALA 80 6.315 -5.868 -5.941 618 HB1 ALA 80 HB1 ALA 80 7.420 -4.266 -4.563 619 HB2 ALA 80 HB2 ALA 80 5.894 -3.757 -3.837 620 HB3 ALA 80 HB3 ALA 80 6.223 -3.405 -5.534 621 H LEU 81 HN LEU 81 4.228 -5.438 -3.093 622 HA LEU 81 HA LEU 81 5.757 -7.065 -1.368 623 HB2 LEU 81 HB2 LEU 81 2.919 -6.111 -1.335 624 HB3 LEU 81 HB1 LEU 81 3.482 -7.256 -0.133 625 HG LEU 81 HG LEU 81 4.546 -4.468 -0.589 626 HD11 LEU 81 HD11 LEU 81 3.070 -5.675 1.747 627 HD12 LEU 81 HD12 LEU 81 2.385 -4.565 0.561 628 HD13 LEU 81 HD13 LEU 81 3.672 -4.021 1.635 629 HD21 LEU 81 HD21 LEU 81 5.483 -6.674 1.224 630 HD22 LEU 81 HD22 LEU 81 5.869 -4.976 1.500 631 HD23 LEU 81 HD23 LEU 81 6.416 -5.775 0.027 632 H LYS 82 HN LYS 82 3.196 -7.841 -3.659 633 HA LYS 82 HA LYS 82 2.650 -10.446 -2.765 634 HB2 LYS 82 HB2 LYS 82 2.242 -8.942 -5.283 635 HB3 LYS 82 HB1 LYS 82 2.213 -10.694 -5.418 636 HG2 LYS 82 HG2 LYS 82 0.472 -10.765 -3.662 637 HG3 LYS 82 HG1 LYS 82 0.464 -9.001 -3.645 638 HD2 LYS 82 HD2 LYS 82 -0.278 -8.930 -5.931 639 HD3 LYS 82 HD1 LYS 82 -0.099 -10.678 -6.087 640 HE2 LYS 82 HE2 LYS 82 -1.842 -10.985 -4.373 641 HE3 LYS 82 HE1 LYS 82 -2.044 -9.237 -4.284 642 HZ1 LYS 82 HZ1 LYS 82 -2.457 -10.832 -6.749 643 HZ2 LYS 82 HZ2 LYS 82 -2.806 -9.193 -6.535 644 HZ3 LYS 82 HZ3 LYS 82 -3.702 -10.366 -5.708 645 H ALA 83 HN ALA 83 4.907 -9.308 -5.254 646 HA ALA 83 HA ALA 83 5.955 -11.874 -5.828 647 HB1 ALA 83 HB1 ALA 83 7.187 -9.169 -6.322 648 HB2 ALA 83 HB2 ALA 83 6.093 -10.018 -7.415 649 HB3 ALA 83 HB3 ALA 83 7.687 -10.688 -7.065 650 H ALA 84 HN ALA 84 6.818 -9.360 -3.544 651 HA ALA 84 HA ALA 84 9.367 -10.289 -2.813 652 HB1 ALA 84 HB1 ALA 84 9.136 -8.882 -0.852 653 HB2 ALA 84 HB2 ALA 84 7.393 -8.772 -1.108 654 HB3 ALA 84 HB3 ALA 84 8.505 -8.047 -2.270 655 H ARG 85 HN ARG 85 6.226 -11.475 -2.080 656 HA ARG 85 HA ARG 85 7.287 -13.117 0.109 657 HB2 ARG 85 HB2 ARG 85 4.559 -12.174 -0.635 658 HB3 ARG 85 HB1 ARG 85 4.704 -13.707 0.214 659 HG2 ARG 85 HG2 ARG 85 5.992 -12.544 1.987 660 HG3 ARG 85 HG1 ARG 85 5.668 -11.019 1.160 661 HD2 ARG 85 HD2 ARG 85 3.440 -11.041 1.693 662 HD3 ARG 85 HD1 ARG 85 3.373 -12.796 1.801 663 HE ARG 85 HE ARG 85 4.339 -10.959 3.882 664 HH11 ARG 85 HH11 ARG 85 3.441 -14.837 4.483 665 HH12 ARG 85 HH12 ARG 85 3.461 -14.201 2.868 666 HH21 ARG 85 HH21 ARG 85 4.264 -11.789 6.016 667 HH22 ARG 85 HH22 ARG 85 3.889 -13.464 6.273 668 H GLU 86 HN GLU 86 7.284 -13.359 -3.045 669 HA GLU 86 HA GLU 86 6.289 -16.120 -3.154 670 HB2 GLU 86 HB2 GLU 86 6.778 -14.051 -5.276 671 HB3 GLU 86 HB1 GLU 86 6.660 -15.756 -5.686 672 HG2 GLU 86 HG2 GLU 86 4.436 -15.539 -4.247 673 HG3 GLU 86 HG1 GLU 86 4.568 -13.866 -4.789 674 H GLU 87 HN GLU 87 9.140 -14.251 -3.082 675 HA GLU 87 HA GLU 87 10.752 -16.639 -3.232 676 HB2 GLU 87 HB2 GLU 87 10.532 -15.852 -5.618 677 HB3 GLU 87 HB1 GLU 87 11.333 -14.363 -5.141 678 HG2 GLU 87 HG2 GLU 87 12.982 -16.409 -4.214 679 HG3 GLU 87 HG1 GLU 87 12.467 -16.916 -5.820 680 H1 IHP 101 H37 IHP 0 14.633 10.649 1.472 681 H2 IHP 101 H38 IHP 0 12.962 11.191 3.218 682 H3 IHP 101 H39 IHP 0 12.807 12.271 1.019 683 H4 IHP 101 H40 IHP 0 10.891 9.974 0.369 684 H5 IHP 101 H41 IHP 0 13.602 10.753 -0.817 685 H6 IHP 101 H42 IHP 0 12.737 8.337 0.857 Start of MODEL 19 1 H1 SER 1 HT1 SER 1 2.106 3.820 11.002 2 H2 SER 1 HT2 SER 1 3.502 3.632 10.065 3 H3 SER 1 HT3 SER 1 2.165 4.464 9.440 4 HA SER 1 HA SER 1 2.442 6.254 10.877 5 HB2 SER 1 HB2 SER 1 4.762 4.883 12.198 6 HB3 SER 1 HB1 SER 1 3.813 6.250 12.779 7 HG SER 1 HG SER 1 2.510 4.890 13.690 8 H GLU 2 HN GLU 2 5.699 4.774 10.640 9 HA GLU 2 HA GLU 2 6.275 6.266 8.242 10 HB2 GLU 2 HB2 GLU 2 8.215 7.489 9.314 11 HB3 GLU 2 HB1 GLU 2 6.612 8.082 9.722 12 HG2 GLU 2 HG2 GLU 2 7.557 6.066 11.585 13 HG3 GLU 2 HG1 GLU 2 8.632 7.459 11.491 14 H ALA 3 HN ALA 3 7.573 4.317 10.901 15 HA ALA 3 HA ALA 3 10.008 3.602 9.747 16 HB1 ALA 3 HB1 ALA 3 9.449 3.228 12.101 17 HB2 ALA 3 HB2 ALA 3 10.053 1.767 11.324 18 HB3 ALA 3 HB3 ALA 3 8.326 1.953 11.624 19 H VAL 4 HN VAL 4 6.998 1.670 9.762 20 HA VAL 4 HA VAL 4 7.998 -0.376 8.115 21 HB VAL 4 HB VAL 4 5.105 0.461 8.335 22 HG11 VAL 4 HG11 VAL 4 5.552 -1.148 6.555 23 HG12 VAL 4 HG12 VAL 4 4.637 -1.892 7.870 24 HG13 VAL 4 HG13 VAL 4 6.367 -2.207 7.710 25 HG21 VAL 4 HG21 VAL 4 6.676 -1.410 10.101 26 HG22 VAL 4 HG22 VAL 4 4.941 -1.116 10.192 27 HG23 VAL 4 HG23 VAL 4 6.074 0.182 10.556 28 H ILE 5 HN ILE 5 6.559 2.716 7.354 29 HA ILE 5 HA ILE 5 5.925 2.245 4.658 30 HB ILE 5 HB ILE 5 6.750 4.862 5.929 31 HG12 ILE 5 HG12 ILE 5 4.032 3.567 5.611 32 HG13 ILE 5 HG11 ILE 5 4.869 3.883 7.125 33 HG21 ILE 5 HG21 ILE 5 5.104 4.372 3.451 34 HG22 ILE 5 HG22 ILE 5 6.807 4.819 3.452 35 HG23 ILE 5 HG23 ILE 5 5.606 5.932 4.102 36 HD11 ILE 5 HD11 ILE 5 4.665 6.271 6.763 37 HD12 ILE 5 HD12 ILE 5 3.085 5.490 6.714 38 HD13 ILE 5 HD13 ILE 5 3.873 5.983 5.214 39 H LYS 6 HN LYS 6 8.913 3.136 6.271 40 HA LYS 6 HA LYS 6 10.416 3.864 4.012 41 HB2 LYS 6 HB2 LYS 6 10.929 3.207 6.802 42 HB3 LYS 6 HB1 LYS 6 12.216 2.645 5.746 43 HG2 LYS 6 HG2 LYS 6 11.189 5.459 5.989 44 HG3 LYS 6 HG1 LYS 6 12.740 4.844 6.563 45 HD2 LYS 6 HD2 LYS 6 13.202 4.221 4.133 46 HD3 LYS 6 HD1 LYS 6 11.809 5.228 3.728 47 HE2 LYS 6 HE2 LYS 6 13.182 6.877 5.370 48 HE3 LYS 6 HE1 LYS 6 14.500 5.985 4.618 49 HZ1 LYS 6 HZ1 LYS 6 13.752 8.070 3.460 50 HZ2 LYS 6 HZ2 LYS 6 12.340 7.245 3.040 51 HZ3 LYS 6 HZ3 LYS 6 13.836 6.687 2.497 52 H VAL 7 HN VAL 7 10.035 0.770 5.672 53 HA VAL 7 HA VAL 7 11.734 -0.791 4.098 54 HB VAL 7 HB VAL 7 9.154 -1.734 5.364 55 HG11 VAL 7 HG11 VAL 7 11.733 -3.195 4.805 56 HG12 VAL 7 HG12 VAL 7 10.246 -3.346 3.869 57 HG13 VAL 7 HG13 VAL 7 10.289 -3.881 5.550 58 HG21 VAL 7 HG21 VAL 7 10.508 -0.430 6.958 59 HG22 VAL 7 HG22 VAL 7 11.876 -1.500 6.641 60 HG23 VAL 7 HG23 VAL 7 10.413 -2.138 7.393 61 H ILE 8 HN ILE 8 8.282 -0.090 3.755 62 HA ILE 8 HA ILE 8 7.796 -1.682 1.497 63 HB ILE 8 HB ILE 8 6.415 0.873 2.338 64 HG12 ILE 8 HG12 ILE 8 6.339 -0.789 4.105 65 HG13 ILE 8 HG11 ILE 8 4.750 -0.663 3.358 66 HG21 ILE 8 HG21 ILE 8 5.442 -1.319 0.505 67 HG22 ILE 8 HG22 ILE 8 5.961 0.291 0.001 68 HG23 ILE 8 HG23 ILE 8 4.528 0.103 1.012 69 HD11 ILE 8 HD11 ILE 8 6.782 -2.841 2.973 70 HD12 ILE 8 HD12 ILE 8 5.314 -2.683 2.012 71 HD13 ILE 8 HD13 ILE 8 5.204 -2.963 3.750 72 H SER 9 HN SER 9 8.734 1.718 1.803 73 HA SER 9 HA SER 9 8.634 2.419 -0.892 74 HB2 SER 9 HB2 SER 9 10.521 3.460 1.236 75 HB3 SER 9 HB1 SER 9 10.146 4.259 -0.290 76 HG SER 9 HG SER 9 8.349 3.703 1.845 77 H SER 10 HN SER 10 11.395 1.189 1.011 78 HA SER 10 HA SER 10 13.211 1.175 -1.153 79 HB2 SER 10 HB2 SER 10 13.294 -0.599 1.294 80 HB3 SER 10 HB1 SER 10 14.657 -0.093 0.294 81 HG SER 10 HG SER 10 13.575 2.130 1.008 82 H ALA 11 HN ALA 11 10.987 -1.252 0.107 83 HA ALA 11 HA ALA 11 11.941 -3.437 -1.404 84 HB1 ALA 11 HB1 ALA 11 9.143 -3.023 -0.368 85 HB2 ALA 11 HB2 ALA 11 10.491 -3.628 0.591 86 HB3 ALA 11 HB3 ALA 11 9.906 -4.558 -0.788 87 H CYS 12 HN CYS 12 9.218 -1.196 -1.996 88 HA CYS 12 HA CYS 12 8.477 -2.413 -4.436 89 HB2 CYS 12 HB2 CYS 12 7.109 -0.436 -4.831 90 HB3 CYS 12 HB1 CYS 12 6.934 -0.995 -3.170 91 HG CYS 12 HG CYS 12 9.218 1.099 -2.762 92 H LYS 13 HN LYS 13 10.923 -0.058 -3.675 93 HA LYS 13 HA LYS 13 11.207 0.961 -6.316 94 HB2 LYS 13 HB2 LYS 13 12.687 1.180 -3.769 95 HB3 LYS 13 HB1 LYS 13 13.634 1.445 -5.227 96 HG2 LYS 13 HG2 LYS 13 12.565 3.374 -5.741 97 HG3 LYS 13 HG1 LYS 13 11.030 2.829 -5.070 98 HD2 LYS 13 HD2 LYS 13 12.090 3.089 -2.785 99 HD3 LYS 13 HD1 LYS 13 13.415 3.928 -3.600 100 HE2 LYS 13 HE2 LYS 13 11.697 5.465 -4.591 101 HE3 LYS 13 HE1 LYS 13 10.507 4.705 -3.539 102 HZ1 LYS 13 HZ1 LYS 13 11.593 5.528 -1.636 103 HZ2 LYS 13 HZ2 LYS 13 11.528 6.825 -2.709 104 HZ3 LYS 13 HZ3 LYS 13 12.972 5.977 -2.500 105 H THR 14 HN THR 14 12.269 -1.915 -4.762 106 HA THR 14 HA THR 14 14.347 -2.486 -6.688 107 HB THR 14 HB THR 14 13.133 -4.468 -4.766 108 HG1 THR 14 HG1 THR 14 15.285 -2.716 -4.136 109 HG21 THR 14 HG21 THR 14 15.917 -4.130 -5.900 110 HG22 THR 14 HG22 THR 14 14.740 -5.354 -6.375 111 HG23 THR 14 HG23 THR 14 15.426 -5.376 -4.748 112 H TYR 15 HN TYR 15 10.989 -2.710 -6.642 113 HA TYR 15 HA TYR 15 11.017 -4.878 -8.636 114 HB2 TYR 15 HB2 TYR 15 8.845 -4.041 -6.711 115 HB3 TYR 15 HB1 TYR 15 8.582 -5.169 -8.039 116 HD1 TYR 15 HD1 TYR 15 9.426 -4.903 -4.635 117 HD2 TYR 15 HD2 TYR 15 10.276 -7.182 -8.127 118 HE1 TYR 15 HE1 TYR 15 10.240 -6.751 -3.228 119 HE2 TYR 15 HE2 TYR 15 11.088 -9.030 -6.732 120 HH TYR 15 HH TYR 15 11.928 -9.460 -4.549 121 H CYS 16 HN CYS 16 9.418 -1.800 -7.828 122 HA CYS 16 HA CYS 16 8.345 -1.612 -10.522 123 HB2 CYS 16 HB2 CYS 16 8.213 0.488 -8.357 124 HB3 CYS 16 HB1 CYS 16 7.142 0.286 -9.738 125 HG CYS 16 HG CYS 16 6.055 -2.138 -8.773 126 H GLY 17 HN GLY 17 11.276 -0.997 -9.178 127 HA2 GLY 17 HA2 GLY 17 13.134 0.087 -9.970 128 HA3 GLY 17 HA1 GLY 17 12.220 0.454 -11.425 129 H LYS 18 HN LYS 18 11.277 2.424 -11.660 130 HA LYS 18 HA LYS 18 11.714 4.365 -9.490 131 HB2 LYS 18 HB2 LYS 18 12.191 6.065 -11.275 132 HB3 LYS 18 HB1 LYS 18 13.412 4.810 -11.121 133 HG2 LYS 18 HG2 LYS 18 12.077 3.639 -13.011 134 HG3 LYS 18 HG1 LYS 18 11.413 5.250 -13.291 135 HD2 LYS 18 HD2 LYS 18 14.352 4.562 -13.243 136 HD3 LYS 18 HD1 LYS 18 13.383 4.784 -14.699 137 HE2 LYS 18 HE2 LYS 18 12.949 7.089 -14.096 138 HE3 LYS 18 HE1 LYS 18 13.813 6.881 -12.575 139 HZ1 LYS 18 HZ1 LYS 18 15.211 7.972 -14.174 140 HZ2 LYS 18 HZ2 LYS 18 14.982 6.736 -15.299 141 HZ3 LYS 18 HZ3 LYS 18 15.835 6.433 -13.871 142 H THR 19 HN THR 19 9.426 2.776 -11.083 143 HA THR 19 HA THR 19 7.627 5.025 -11.549 144 HB THR 19 HB THR 19 6.792 2.165 -11.837 145 HG1 THR 19 HG1 THR 19 7.934 1.936 -13.695 146 HG21 THR 19 HG21 THR 19 5.545 3.068 -13.746 147 HG22 THR 19 HG22 THR 19 6.257 4.660 -13.460 148 HG23 THR 19 HG23 THR 19 5.170 3.950 -12.263 149 H SER 20 HN SER 20 8.654 3.563 -8.923 150 HA SER 20 HA SER 20 6.269 2.729 -7.607 151 HB2 SER 20 HB2 SER 20 7.994 3.206 -5.585 152 HB3 SER 20 HB1 SER 20 8.073 1.757 -6.589 153 HG SER 20 HG SER 20 9.696 4.043 -6.605 154 HA PRO 21 HA PRO 21 4.879 6.726 -6.326 155 HB2 PRO 21 HB2 PRO 21 3.221 6.028 -4.317 156 HB3 PRO 21 HB1 PRO 21 2.846 5.647 -6.011 157 HG2 PRO 21 HG2 PRO 21 3.905 3.877 -3.876 158 HG3 PRO 21 HG1 PRO 21 2.730 3.525 -5.155 159 HD2 PRO 21 HD2 PRO 21 5.398 2.834 -5.247 160 HD3 PRO 21 HD1 PRO 21 4.351 3.010 -6.667 161 H SER 22 HN SER 22 5.338 8.293 -4.786 162 HA SER 22 HA SER 22 7.508 7.769 -3.033 163 HB2 SER 22 HB2 SER 22 6.824 10.169 -2.212 164 HB3 SER 22 HB1 SER 22 7.502 9.960 -3.828 165 HG SER 22 HG SER 22 5.698 11.158 -4.116 166 H LYS 23 HN LYS 23 7.491 8.009 -0.697 167 HA LYS 23 HA LYS 23 5.392 6.555 0.497 168 HB2 LYS 23 HB2 LYS 23 6.768 6.390 2.253 169 HB3 LYS 23 HB1 LYS 23 7.949 7.197 1.235 170 HG2 LYS 23 HG2 LYS 23 6.133 8.960 2.735 171 HG3 LYS 23 HG1 LYS 23 7.280 8.020 3.692 172 HD2 LYS 23 HD2 LYS 23 9.127 8.949 2.579 173 HD3 LYS 23 HD1 LYS 23 8.120 9.605 1.287 174 HE2 LYS 23 HE2 LYS 23 7.136 11.192 2.800 175 HE3 LYS 23 HE1 LYS 23 7.989 10.473 4.166 176 HZ1 LYS 23 HZ1 LYS 23 9.444 11.580 1.848 177 HZ2 LYS 23 HZ2 LYS 23 10.021 11.271 3.410 178 HZ3 LYS 23 HZ3 LYS 23 8.969 12.564 3.143 179 H LYS 24 HN LYS 24 5.675 9.845 -0.291 180 HA LYS 24 HA LYS 24 4.091 11.038 1.707 181 HB2 LYS 24 HB2 LYS 24 4.278 11.828 -1.210 182 HB3 LYS 24 HB1 LYS 24 3.707 12.845 0.102 183 HG2 LYS 24 HG2 LYS 24 6.106 12.353 1.075 184 HG3 LYS 24 HG1 LYS 24 6.475 12.051 -0.624 185 HD2 LYS 24 HD2 LYS 24 5.072 14.369 -0.802 186 HD3 LYS 24 HD1 LYS 24 5.864 14.576 0.760 187 HE2 LYS 24 HE2 LYS 24 7.234 13.929 -1.845 188 HE3 LYS 24 HE1 LYS 24 7.202 15.506 -1.065 189 HZ1 LYS 24 HZ1 LYS 24 8.278 13.132 0.312 190 HZ2 LYS 24 HZ2 LYS 24 8.564 14.762 0.651 191 HZ3 LYS 24 HZ3 LYS 24 9.242 14.049 -0.723 192 H GLU 25 HN GLU 25 3.291 9.241 -1.199 193 HA GLU 25 HA GLU 25 0.452 9.762 -0.910 194 HB2 GLU 25 HB2 GLU 25 2.077 8.134 -2.854 195 HB3 GLU 25 HB1 GLU 25 0.322 8.069 -2.830 196 HG2 GLU 25 HG2 GLU 25 0.437 10.624 -3.062 197 HG3 GLU 25 HG1 GLU 25 2.111 10.352 -3.549 198 H ILE 26 HN ILE 26 2.765 7.170 -0.366 199 HA ILE 26 HA ILE 26 0.946 5.109 0.215 200 HB ILE 26 HB ILE 26 3.704 5.464 1.406 201 HG12 ILE 26 HG12 ILE 26 2.868 4.032 -1.131 202 HG13 ILE 26 HG11 ILE 26 3.717 5.572 -1.068 203 HG21 ILE 26 HG21 ILE 26 2.352 3.780 2.549 204 HG22 ILE 26 HG22 ILE 26 3.657 3.020 1.635 205 HG23 ILE 26 HG23 ILE 26 2.009 2.995 1.007 206 HD11 ILE 26 HD11 ILE 26 5.246 3.765 -1.566 207 HD12 ILE 26 HD12 ILE 26 4.766 2.926 -0.090 208 HD13 ILE 26 HD13 ILE 26 5.620 4.467 0.008 209 H GLY 27 HN GLY 27 2.484 7.535 2.296 210 HA2 GLY 27 HA2 GLY 27 1.423 6.613 4.743 211 HA3 GLY 27 HA1 GLY 27 1.992 8.248 4.421 212 H ALA 28 HN ALA 28 0.210 8.932 2.370 213 HA ALA 28 HA ALA 28 -2.018 9.828 3.832 214 HB1 ALA 28 HB1 ALA 28 -1.206 11.005 1.868 215 HB2 ALA 28 HB2 ALA 28 -2.898 10.562 1.657 216 HB3 ALA 28 HB3 ALA 28 -1.639 9.636 0.844 217 H MET 29 HN MET 29 -1.609 7.205 1.509 218 HA MET 29 HA MET 29 -4.297 6.321 1.523 219 HB2 MET 29 HB2 MET 29 -2.721 5.716 -0.257 220 HB3 MET 29 HB1 MET 29 -1.754 4.805 0.894 221 HG2 MET 29 HG2 MET 29 -3.729 3.328 1.271 222 HG3 MET 29 HG1 MET 29 -4.545 4.174 -0.042 223 HE1 MET 29 HE1 MET 29 -0.818 2.948 0.474 224 HE2 MET 29 HE2 MET 29 -0.839 1.469 -0.487 225 HE3 MET 29 HE3 MET 29 -1.826 1.587 0.968 226 H LEU 30 HN LEU 30 -1.454 5.495 3.429 227 HA LEU 30 HA LEU 30 -2.452 3.270 4.788 228 HB2 LEU 30 HB2 LEU 30 -0.079 4.477 4.755 229 HB3 LEU 30 HB1 LEU 30 -0.687 5.179 6.240 230 HG LEU 30 HG LEU 30 -1.065 2.866 7.111 231 HD11 LEU 30 HD11 LEU 30 0.414 2.102 4.602 232 HD12 LEU 30 HD12 LEU 30 -1.241 1.668 5.025 233 HD13 LEU 30 HD13 LEU 30 0.105 1.028 5.966 234 HD21 LEU 30 HD21 LEU 30 1.298 2.423 7.560 235 HD22 LEU 30 HD22 LEU 30 0.925 4.141 7.709 236 HD23 LEU 30 HD23 LEU 30 1.755 3.539 6.273 237 H SER 31 HN SER 31 -2.467 6.701 5.825 238 HA SER 31 HA SER 31 -3.929 6.285 8.190 239 HB2 SER 31 HB2 SER 31 -3.404 8.666 6.447 240 HB3 SER 31 HB1 SER 31 -4.617 8.793 7.722 241 HG SER 31 HG SER 31 -2.910 7.970 9.149 242 H LEU 32 HN LEU 32 -4.927 6.820 4.873 243 HA LEU 32 HA LEU 32 -7.663 7.247 5.258 244 HB2 LEU 32 HB2 LEU 32 -6.211 7.420 3.123 245 HB3 LEU 32 HB1 LEU 32 -6.498 5.707 2.945 246 HG LEU 32 HG LEU 32 -7.963 7.234 1.571 247 HD11 LEU 32 HD11 LEU 32 -8.530 4.893 1.978 248 HD12 LEU 32 HD12 LEU 32 -9.967 5.912 1.902 249 HD13 LEU 32 HD13 LEU 32 -9.364 5.355 3.463 250 HD21 LEU 32 HD21 LEU 32 -9.784 8.368 2.602 251 HD22 LEU 32 HD22 LEU 32 -8.307 8.887 3.411 252 HD23 LEU 32 HD23 LEU 32 -9.371 7.715 4.186 253 H LEU 33 HN LEU 33 -5.871 4.255 4.594 254 HA LEU 33 HA LEU 33 -8.057 2.497 4.762 255 HB2 LEU 33 HB2 LEU 33 -5.142 1.938 5.310 256 HB3 LEU 33 HB1 LEU 33 -6.370 0.732 4.981 257 HG LEU 33 HG LEU 33 -5.454 2.852 3.042 258 HD11 LEU 33 HD11 LEU 33 -4.332 1.090 1.868 259 HD12 LEU 33 HD12 LEU 33 -4.920 -0.109 3.016 260 HD13 LEU 33 HD13 LEU 33 -3.763 1.115 3.536 261 HD21 LEU 33 HD21 LEU 33 -7.407 0.579 2.775 262 HD22 LEU 33 HD22 LEU 33 -6.725 1.454 1.409 263 HD23 LEU 33 HD23 LEU 33 -7.725 2.303 2.585 264 H GLN 34 HN GLN 34 -5.899 3.780 7.220 265 HA GLN 34 HA GLN 34 -6.618 2.009 9.304 266 HB2 GLN 34 HB2 GLN 34 -5.431 4.772 9.275 267 HB3 GLN 34 HB1 GLN 34 -5.816 3.960 10.786 268 HG2 GLN 34 HG2 GLN 34 -4.362 2.075 10.043 269 HG3 GLN 34 HG1 GLN 34 -3.876 3.070 8.672 270 HE21 GLN 34 HE21 GLN 34 -3.676 2.621 12.106 271 HE22 GLN 34 HE22 GLN 34 -2.379 3.736 12.375 272 H LYS 35 HN LYS 35 -7.847 5.218 8.394 273 HA LYS 35 HA LYS 35 -9.723 5.310 10.541 274 HB2 LYS 35 HB2 LYS 35 -10.479 7.358 9.645 275 HB3 LYS 35 HB1 LYS 35 -8.755 7.305 9.306 276 HG2 LYS 35 HG2 LYS 35 -9.148 7.600 7.152 277 HG3 LYS 35 HG1 LYS 35 -10.149 6.148 7.112 278 HD2 LYS 35 HD2 LYS 35 -12.049 7.538 7.968 279 HD3 LYS 35 HD1 LYS 35 -11.027 8.961 7.752 280 HE2 LYS 35 HE2 LYS 35 -10.843 8.497 5.379 281 HE3 LYS 35 HE1 LYS 35 -11.788 7.020 5.572 282 HZ1 LYS 35 HZ1 LYS 35 -13.692 8.297 6.170 283 HZ2 LYS 35 HZ2 LYS 35 -13.078 8.935 4.731 284 HZ3 LYS 35 HZ3 LYS 35 -12.801 9.736 6.195 285 H GLU 36 HN GLU 36 -9.731 3.725 7.527 286 HA GLU 36 HA GLU 36 -12.602 3.656 7.213 287 HB2 GLU 36 HB2 GLU 36 -10.381 2.135 5.838 288 HB3 GLU 36 HB1 GLU 36 -12.085 1.908 5.464 289 HG2 GLU 36 HG2 GLU 36 -10.630 4.531 5.231 290 HG3 GLU 36 HG1 GLU 36 -10.883 3.405 3.901 291 H GLY 37 HN GLY 37 -10.274 1.993 9.048 292 HA2 GLY 37 HA2 GLY 37 -10.808 0.489 10.776 293 HA3 GLY 37 HA1 GLY 37 -12.333 0.144 9.980 294 H LEU 38 HN LEU 38 -10.003 0.027 7.654 295 HA LEU 38 HA LEU 38 -10.085 -2.859 7.625 296 HB2 LEU 38 HB2 LEU 38 -8.897 -0.828 5.750 297 HB3 LEU 38 HB1 LEU 38 -8.723 -2.554 5.508 298 HG LEU 38 HG LEU 38 -11.376 -1.117 5.620 299 HD11 LEU 38 HD11 LEU 38 -9.796 -2.082 3.241 300 HD12 LEU 38 HD12 LEU 38 -10.100 -0.399 3.678 301 HD13 LEU 38 HD13 LEU 38 -11.439 -1.444 3.194 302 HD21 LEU 38 HD21 LEU 38 -12.237 -3.215 4.666 303 HD22 LEU 38 HD22 LEU 38 -11.536 -3.449 6.269 304 HD23 LEU 38 HD23 LEU 38 -10.632 -3.933 4.833 305 H LEU 39 HN LEU 39 -7.782 -0.350 8.391 306 HA LEU 39 HA LEU 39 -5.776 -2.433 8.920 307 HB2 LEU 39 HB2 LEU 39 -5.452 0.446 8.120 308 HB3 LEU 39 HB1 LEU 39 -4.144 -0.466 8.846 309 HG LEU 39 HG LEU 39 -5.456 -0.923 6.177 310 HD11 LEU 39 HD11 LEU 39 -2.581 -0.490 6.975 311 HD12 LEU 39 HD12 LEU 39 -3.658 0.758 6.346 312 HD13 LEU 39 HD13 LEU 39 -3.216 -0.618 5.334 313 HD21 LEU 39 HD21 LEU 39 -3.883 -2.872 5.989 314 HD22 LEU 39 HD22 LEU 39 -5.239 -3.113 7.087 315 HD23 LEU 39 HD23 LEU 39 -3.638 -2.756 7.731 316 H MET 40 HN MET 40 -5.025 -2.682 10.910 317 HA MET 40 HA MET 40 -6.022 -0.846 12.982 318 HB2 MET 40 HB2 MET 40 -6.571 -3.295 13.118 319 HB3 MET 40 HB1 MET 40 -4.853 -3.616 13.301 320 HG2 MET 40 HG2 MET 40 -4.853 -2.237 15.357 321 HG3 MET 40 HG1 MET 40 -6.597 -2.046 15.186 322 HE1 MET 40 HE1 MET 40 -5.419 -3.063 17.842 323 HE2 MET 40 HE2 MET 40 -6.389 -4.490 18.207 324 HE3 MET 40 HE3 MET 40 -7.163 -3.039 17.567 325 H SER 41 HN SER 41 -3.165 -2.367 11.649 326 HA SER 41 HA SER 41 -1.497 -0.338 12.927 327 HB2 SER 41 HB2 SER 41 0.170 -2.080 13.594 328 HB3 SER 41 HB1 SER 41 -1.355 -2.222 14.470 329 HG SER 41 HG SER 41 -1.890 -3.980 13.277 330 HA PRO 42 HA PRO 42 0.512 -0.303 8.975 331 HB2 PRO 42 HB2 PRO 42 3.152 0.036 9.697 332 HB3 PRO 42 HB1 PRO 42 1.956 1.345 9.674 333 HG2 PRO 42 HG2 PRO 42 2.970 -0.240 11.976 334 HG3 PRO 42 HG1 PRO 42 2.589 1.492 11.872 335 HD2 PRO 42 HD2 PRO 42 0.923 -0.271 13.047 336 HD3 PRO 42 HD1 PRO 42 0.331 1.153 12.171 337 H SER 43 HN SER 43 1.420 -2.527 11.425 338 HA SER 43 HA SER 43 3.172 -4.140 9.846 339 HB2 SER 43 HB2 SER 43 2.348 -5.729 11.924 340 HB3 SER 43 HB1 SER 43 3.684 -4.579 12.012 341 HG SER 43 HG SER 43 1.039 -4.327 12.951 342 H ASP 44 HN ASP 44 -0.192 -3.757 10.016 343 HA ASP 44 HA ASP 44 -1.150 -6.362 9.626 344 HB2 ASP 44 HB2 ASP 44 -2.184 -3.631 9.078 345 HB3 ASP 44 HB1 ASP 44 -2.983 -4.974 8.268 346 H LEU 45 HN LEU 45 0.493 -4.228 7.488 347 HA LEU 45 HA LEU 45 -0.438 -5.306 5.038 348 HB2 LEU 45 HB2 LEU 45 1.923 -3.635 5.820 349 HB3 LEU 45 HB1 LEU 45 1.755 -4.243 4.185 350 HG LEU 45 HG LEU 45 0.881 -2.075 4.088 351 HD11 LEU 45 HD11 LEU 45 -0.596 -3.830 3.109 352 HD12 LEU 45 HD12 LEU 45 -1.426 -2.337 3.550 353 HD13 LEU 45 HD13 LEU 45 -1.564 -3.759 4.583 354 HD21 LEU 45 HD21 LEU 45 -0.717 -1.151 5.685 355 HD22 LEU 45 HD22 LEU 45 0.780 -1.638 6.480 356 HD23 LEU 45 HD23 LEU 45 -0.658 -2.651 6.612 357 H TYR 46 HN TYR 46 1.502 -6.638 7.406 358 HA TYR 46 HA TYR 46 3.168 -8.192 5.620 359 HB2 TYR 46 HB2 TYR 46 2.822 -8.179 8.618 360 HB3 TYR 46 HB1 TYR 46 3.814 -9.374 7.787 361 HD1 TYR 46 HD1 TYR 46 5.527 -8.243 6.024 362 HD2 TYR 46 HD2 TYR 46 3.926 -6.362 9.490 363 HE1 TYR 46 HE1 TYR 46 7.429 -6.690 6.050 364 HE2 TYR 46 HE2 TYR 46 5.827 -4.800 9.523 365 HH TYR 46 HH TYR 46 8.007 -4.537 8.724 366 H SER 47 HN SER 47 -0.000 -8.334 6.568 367 HA SER 47 HA SER 47 -0.154 -11.254 6.571 368 HB2 SER 47 HB2 SER 47 -2.304 -9.175 7.046 369 HB3 SER 47 HB1 SER 47 -2.512 -10.917 7.209 370 HG SER 47 HG SER 47 -0.487 -9.617 8.669 371 HA PRO 48 HA PRO 48 -0.986 -10.699 2.155 372 HB2 PRO 48 HB2 PRO 48 -0.833 -13.354 1.549 373 HB3 PRO 48 HB1 PRO 48 0.591 -12.313 1.725 374 HG2 PRO 48 HG2 PRO 48 -0.578 -14.248 3.660 375 HG3 PRO 48 HG1 PRO 48 1.123 -13.904 3.287 376 HD2 PRO 48 HD2 PRO 48 -0.127 -12.923 5.481 377 HD3 PRO 48 HD1 PRO 48 1.197 -12.073 4.659 378 H GLY 49 HN GLY 49 -2.610 -12.795 4.435 379 HA2 GLY 49 HA2 GLY 49 -4.772 -13.492 2.696 380 HA3 GLY 49 HA1 GLY 49 -4.715 -13.727 4.437 381 H SER 50 HN SER 50 -4.016 -10.678 4.453 382 HA SER 50 HA SER 50 -6.803 -9.851 4.665 383 HB2 SER 50 HB2 SER 50 -4.356 -8.267 5.457 384 HB3 SER 50 HB1 SER 50 -6.016 -8.035 6.007 385 HG SER 50 HG SER 50 -4.691 -9.153 7.539 386 H TRP 51 HN TRP 51 -4.382 -9.770 2.379 387 HA TRP 51 HA TRP 51 -4.679 -7.140 1.343 388 HB2 TRP 51 HB2 TRP 51 -3.644 -9.685 0.085 389 HB3 TRP 51 HB1 TRP 51 -3.607 -8.119 -0.712 390 HD1 TRP 51 HD1 TRP 51 -2.789 -6.884 2.428 391 HE1 TRP 51 HE1 TRP 51 -0.264 -6.939 2.949 392 HE3 TRP 51 HE3 TRP 51 -1.299 -10.257 -1.115 393 HZ2 TRP 51 HZ2 TRP 51 2.041 -8.240 1.980 394 HZ3 TRP 51 HZ3 TRP 51 1.085 -10.851 -1.248 395 HH2 TRP 51 HH2 TRP 51 2.717 -9.863 0.268 396 H ASP 52 HN ASP 52 -6.316 -10.187 0.714 397 HA ASP 52 HA ASP 52 -7.567 -9.521 -1.689 398 HB2 ASP 52 HB2 ASP 52 -7.452 -11.803 -0.471 399 HB3 ASP 52 HB1 ASP 52 -8.924 -11.274 0.337 400 HA PRO 53 HA PRO 53 -11.510 -8.070 0.815 401 HB2 PRO 53 HB2 PRO 53 -10.842 -7.080 3.338 402 HB3 PRO 53 HB1 PRO 53 -11.628 -8.636 3.023 403 HG2 PRO 53 HG2 PRO 53 -8.774 -8.047 3.575 404 HG3 PRO 53 HG1 PRO 53 -9.767 -9.429 4.078 405 HD2 PRO 53 HD2 PRO 53 -7.990 -9.648 2.091 406 HD3 PRO 53 HD1 PRO 53 -9.542 -10.508 2.051 407 H ILE 54 HN ILE 54 -8.369 -6.606 1.609 408 HA ILE 54 HA ILE 54 -9.243 -3.926 1.598 409 HB ILE 54 HB ILE 54 -6.488 -5.010 0.986 410 HG12 ILE 54 HG12 ILE 54 -7.618 -3.902 3.566 411 HG13 ILE 54 HG11 ILE 54 -7.427 -5.618 3.226 412 HG21 ILE 54 HG21 ILE 54 -5.734 -2.742 1.657 413 HG22 ILE 54 HG22 ILE 54 -7.422 -2.225 1.667 414 HG23 ILE 54 HG23 ILE 54 -6.671 -2.765 0.164 415 HD11 ILE 54 HD11 ILE 54 -5.620 -4.761 4.623 416 HD12 ILE 54 HD12 ILE 54 -5.194 -3.603 3.365 417 HD13 ILE 54 HD13 ILE 54 -5.014 -5.330 3.067 418 H THR 55 HN THR 55 -7.650 -5.863 -0.941 419 HA THR 55 HA THR 55 -7.659 -3.895 -2.926 420 HB THR 55 HB THR 55 -7.911 -6.870 -3.407 421 HG1 THR 55 HG1 THR 55 -6.109 -6.796 -2.221 422 HG21 THR 55 HG21 THR 55 -6.670 -6.381 -5.460 423 HG22 THR 55 HG22 THR 55 -6.655 -4.667 -5.053 424 HG23 THR 55 HG23 THR 55 -8.182 -5.473 -5.409 425 H ALA 56 HN ALA 56 -10.093 -6.321 -2.064 426 HA ALA 56 HA ALA 56 -11.857 -5.827 -4.208 427 HB1 ALA 56 HB1 ALA 56 -12.504 -6.836 -1.439 428 HB2 ALA 56 HB2 ALA 56 -11.983 -7.828 -2.799 429 HB3 ALA 56 HB3 ALA 56 -13.529 -6.985 -2.864 430 H ALA 57 HN ALA 57 -11.778 -4.550 -0.889 431 HA ALA 57 HA ALA 57 -14.056 -2.914 -1.105 432 HB1 ALA 57 HB1 ALA 57 -13.079 -3.528 1.042 433 HB2 ALA 57 HB2 ALA 57 -13.209 -1.774 0.893 434 HB3 ALA 57 HB3 ALA 57 -11.647 -2.567 0.678 435 H LEU 58 HN LEU 58 -10.620 -2.211 -1.637 436 HA LEU 58 HA LEU 58 -10.943 0.537 -2.163 437 HB2 LEU 58 HB2 LEU 58 -8.798 -1.442 -2.866 438 HB3 LEU 58 HB1 LEU 58 -8.712 0.224 -3.402 439 HG LEU 58 HG LEU 58 -8.830 -0.682 -0.523 440 HD11 LEU 58 HD11 LEU 58 -6.522 0.094 -0.411 441 HD12 LEU 58 HD12 LEU 58 -6.557 0.469 -2.136 442 HD13 LEU 58 HD13 LEU 58 -6.697 -1.204 -1.594 443 HD21 LEU 58 HD21 LEU 58 -9.841 1.416 -0.545 444 HD22 LEU 58 HD22 LEU 58 -8.785 2.017 -1.821 445 HD23 LEU 58 HD23 LEU 58 -8.150 1.773 -0.194 446 H SER 59 HN SER 59 -11.090 -2.299 -4.256 447 HA SER 59 HA SER 59 -11.235 -0.819 -6.685 448 HB2 SER 59 HB2 SER 59 -12.176 -3.638 -6.099 449 HB3 SER 59 HB1 SER 59 -11.937 -2.944 -7.702 450 HG SER 59 HG SER 59 -10.003 -3.561 -5.734 451 H GLN 60 HN GLN 60 -13.561 -2.025 -4.372 452 HA GLN 60 HA GLN 60 -15.919 -1.637 -5.845 453 HB2 GLN 60 HB2 GLN 60 -15.829 -2.924 -3.763 454 HB3 GLN 60 HB1 GLN 60 -15.461 -1.459 -2.864 455 HG2 GLN 60 HG2 GLN 60 -17.649 -0.543 -3.499 456 HG3 GLN 60 HG1 GLN 60 -18.021 -2.053 -4.332 457 HE21 GLN 60 HE21 GLN 60 -16.265 -1.805 -1.311 458 HE22 GLN 60 HE22 GLN 60 -17.464 -2.571 -0.333 459 H ARG 61 HN ARG 61 -14.408 0.490 -3.403 460 HA ARG 61 HA ARG 61 -16.208 2.630 -3.797 461 HB2 ARG 61 HB2 ARG 61 -14.444 4.011 -2.636 462 HB3 ARG 61 HB1 ARG 61 -14.993 2.593 -1.756 463 HG2 ARG 61 HG2 ARG 61 -12.964 1.403 -2.699 464 HG3 ARG 61 HG1 ARG 61 -12.397 2.997 -3.197 465 HD2 ARG 61 HD2 ARG 61 -13.269 2.555 -0.380 466 HD3 ARG 61 HD1 ARG 61 -11.681 1.998 -0.894 467 HE ARG 61 HE ARG 61 -11.491 4.458 -1.704 468 HH11 ARG 61 HH11 ARG 61 -12.736 4.786 2.108 469 HH12 ARG 61 HH12 ARG 61 -13.044 3.327 1.217 470 HH21 ARG 61 HH21 ARG 61 -11.033 6.358 -0.537 471 HH22 ARG 61 HH22 ARG 61 -11.597 6.510 1.098 472 H ALA 62 HN ALA 62 -13.307 1.702 -5.489 473 HA ALA 62 HA ALA 62 -12.845 4.213 -6.751 474 HB1 ALA 62 HB1 ALA 62 -11.996 1.484 -7.697 475 HB2 ALA 62 HB2 ALA 62 -11.124 2.461 -6.516 476 HB3 ALA 62 HB3 ALA 62 -11.307 3.037 -8.173 477 H MET 63 HN MET 63 -14.572 1.269 -7.738 478 HA MET 63 HA MET 63 -15.243 2.356 -10.313 479 HB2 MET 63 HB2 MET 63 -16.449 0.328 -10.698 480 HB3 MET 63 HB1 MET 63 -14.942 -0.083 -9.889 481 HG2 MET 63 HG2 MET 63 -16.135 -0.308 -7.772 482 HG3 MET 63 HG1 MET 63 -17.644 0.129 -8.570 483 HE1 MET 63 HE1 MET 63 -14.863 -2.152 -10.237 484 HE2 MET 63 HE2 MET 63 -15.285 -3.719 -9.546 485 HE3 MET 63 HE3 MET 63 -14.690 -2.427 -8.503 486 H ILE 64 HN ILE 64 -16.595 2.579 -7.185 487 HA ILE 64 HA ILE 64 -19.242 3.241 -8.210 488 HB ILE 64 HB ILE 64 -18.186 2.939 -5.399 489 HG12 ILE 64 HG12 ILE 64 -20.271 1.395 -6.960 490 HG13 ILE 64 HG11 ILE 64 -18.615 0.866 -6.681 491 HG21 ILE 64 HG21 ILE 64 -20.480 3.315 -4.620 492 HG22 ILE 64 HG22 ILE 64 -20.962 3.730 -6.265 493 HG23 ILE 64 HG23 ILE 64 -19.808 4.746 -5.402 494 HD11 ILE 64 HD11 ILE 64 -20.761 1.265 -4.615 495 HD12 ILE 64 HD12 ILE 64 -19.082 0.870 -4.251 496 HD13 ILE 64 HD13 ILE 64 -20.076 -0.263 -5.163 497 H LEU 65 HN LEU 65 -16.860 4.788 -6.029 498 HA LEU 65 HA LEU 65 -18.168 7.326 -6.197 499 HB2 LEU 65 HB2 LEU 65 -15.571 6.394 -5.031 500 HB3 LEU 65 HB1 LEU 65 -15.946 8.102 -5.125 501 HG LEU 65 HG LEU 65 -18.100 7.503 -3.847 502 HD11 LEU 65 HD11 LEU 65 -16.449 5.064 -3.203 503 HD12 LEU 65 HD12 LEU 65 -17.950 5.077 -4.128 504 HD13 LEU 65 HD13 LEU 65 -17.962 5.533 -2.425 505 HD21 LEU 65 HD21 LEU 65 -16.918 7.632 -1.697 506 HD22 LEU 65 HD22 LEU 65 -16.296 8.786 -2.875 507 HD23 LEU 65 HD23 LEU 65 -15.398 7.307 -2.527 508 H GLY 66 HN GLY 66 -15.486 5.813 -7.879 509 HA2 GLY 66 HA2 GLY 66 -14.876 6.475 -10.078 510 HA3 GLY 66 HA1 GLY 66 -15.480 8.090 -9.734 511 H LYS 67 HN LYS 67 -13.786 7.159 -7.085 512 HA LYS 67 HA LYS 67 -11.381 8.550 -8.024 513 HB2 LYS 67 HB2 LYS 67 -10.932 8.887 -5.570 514 HB3 LYS 67 HB1 LYS 67 -12.366 9.699 -6.183 515 HG2 LYS 67 HG2 LYS 67 -13.804 8.111 -5.171 516 HG3 LYS 67 HG1 LYS 67 -12.457 7.038 -4.791 517 HD2 LYS 67 HD2 LYS 67 -13.111 8.177 -2.787 518 HD3 LYS 67 HD1 LYS 67 -11.544 8.807 -3.301 519 HE2 LYS 67 HE2 LYS 67 -12.759 10.694 -4.402 520 HE3 LYS 67 HE1 LYS 67 -14.245 10.096 -3.667 521 HZ1 LYS 67 HZ1 LYS 67 -13.196 11.890 -2.392 522 HZ2 LYS 67 HZ2 LYS 67 -11.832 10.920 -2.155 523 HZ3 LYS 67 HZ3 LYS 67 -13.319 10.457 -1.500 524 H SER 68 HN SER 68 -9.611 7.379 -8.354 525 HA SER 68 HA SER 68 -9.420 4.766 -7.006 526 HB2 SER 68 HB2 SER 68 -8.044 5.374 -9.606 527 HB3 SER 68 HB1 SER 68 -8.523 3.812 -8.946 528 HG SER 68 HG SER 68 -10.313 4.015 -10.007 529 H GLY 69 HN GLY 69 -8.380 7.490 -6.216 530 HA2 GLY 69 HA2 GLY 69 -5.621 7.698 -6.577 531 HA3 GLY 69 HA1 GLY 69 -6.502 8.325 -5.191 532 H GLU 70 HN GLU 70 -7.387 6.146 -3.925 533 HA GLU 70 HA GLU 70 -5.098 5.191 -2.587 534 HB2 GLU 70 HB2 GLU 70 -7.959 4.221 -2.536 535 HB3 GLU 70 HB1 GLU 70 -6.708 3.641 -1.450 536 HG2 GLU 70 HG2 GLU 70 -7.725 5.225 -0.150 537 HG3 GLU 70 HG1 GLU 70 -6.428 6.171 -0.874 538 H LEU 71 HN LEU 71 -7.298 3.653 -4.914 539 HA LEU 71 HA LEU 71 -6.242 1.083 -4.886 540 HB2 LEU 71 HB2 LEU 71 -8.117 2.517 -6.430 541 HB3 LEU 71 HB1 LEU 71 -7.002 1.787 -7.564 542 HG LEU 71 HG LEU 71 -8.787 0.412 -5.569 543 HD11 LEU 71 HD11 LEU 71 -9.848 0.909 -7.649 544 HD12 LEU 71 HD12 LEU 71 -9.466 -0.810 -7.644 545 HD13 LEU 71 HD13 LEU 71 -8.468 0.310 -8.562 546 HD21 LEU 71 HD21 LEU 71 -6.792 -0.800 -5.302 547 HD22 LEU 71 HD22 LEU 71 -6.383 -0.665 -7.010 548 HD23 LEU 71 HD23 LEU 71 -7.712 -1.707 -6.504 549 H LYS 72 HN LYS 72 -5.197 3.890 -6.794 550 HA LYS 72 HA LYS 72 -3.374 2.569 -8.459 551 HB2 LYS 72 HB2 LYS 72 -3.565 5.382 -7.448 552 HB3 LYS 72 HB1 LYS 72 -2.180 4.876 -8.404 553 HG2 LYS 72 HG2 LYS 72 -3.991 4.015 -10.064 554 HG3 LYS 72 HG1 LYS 72 -5.035 5.151 -9.206 555 HD2 LYS 72 HD2 LYS 72 -2.406 5.827 -10.523 556 HD3 LYS 72 HD1 LYS 72 -4.000 6.168 -11.191 557 HE2 LYS 72 HE2 LYS 72 -4.090 8.071 -10.046 558 HE3 LYS 72 HE1 LYS 72 -3.879 7.191 -8.534 559 HZ1 LYS 72 HZ1 LYS 72 -1.550 7.811 -10.231 560 HZ2 LYS 72 HZ2 LYS 72 -1.604 7.512 -8.566 561 HZ3 LYS 72 HZ3 LYS 72 -2.173 8.978 -9.180 562 H THR 73 HN THR 73 -2.777 4.254 -5.384 563 HA THR 73 HA THR 73 -0.046 3.592 -5.216 564 HB THR 73 HB THR 73 -1.800 4.076 -2.815 565 HG1 THR 73 HG1 THR 73 -1.115 5.819 -4.918 566 HG21 THR 73 HG21 THR 73 1.037 4.847 -3.508 567 HG22 THR 73 HG22 THR 73 0.546 3.582 -2.380 568 HG23 THR 73 HG23 THR 73 0.203 5.275 -2.017 569 H TRP 74 HN TRP 74 -2.962 2.047 -3.948 570 HA TRP 74 HA TRP 74 -1.751 0.065 -2.401 571 HB2 TRP 74 HB2 TRP 74 -4.123 0.482 -2.207 572 HB3 TRP 74 HB1 TRP 74 -4.383 0.044 -3.892 573 HD1 TRP 74 HD1 TRP 74 -5.146 -2.379 -4.292 574 HE1 TRP 74 HE1 TRP 74 -5.157 -4.567 -2.923 575 HE3 TRP 74 HE3 TRP 74 -2.550 -0.766 -0.196 576 HZ2 TRP 74 HZ2 TRP 74 -4.176 -5.475 -0.440 577 HZ3 TRP 74 HZ3 TRP 74 -2.122 -2.359 1.628 578 HH2 TRP 74 HH2 TRP 74 -2.916 -4.665 1.509 579 H GLY 75 HN GLY 75 -2.799 -0.043 -5.808 580 HA2 GLY 75 HA2 GLY 75 -2.161 -2.689 -6.364 581 HA3 GLY 75 HA1 GLY 75 -2.129 -1.389 -7.546 582 H LEU 76 HN LEU 76 -0.063 0.159 -6.585 583 HA LEU 76 HA LEU 76 2.179 -1.200 -7.617 584 HB2 LEU 76 HB2 LEU 76 1.892 1.386 -6.107 585 HB3 LEU 76 HB1 LEU 76 3.429 0.825 -6.743 586 HG LEU 76 HG LEU 76 1.120 1.024 -8.615 587 HD11 LEU 76 HD11 LEU 76 2.716 3.389 -7.646 588 HD12 LEU 76 HD12 LEU 76 0.988 3.127 -7.429 589 HD13 LEU 76 HD13 LEU 76 1.641 3.386 -9.045 590 HD21 LEU 76 HD21 LEU 76 4.067 1.606 -8.900 591 HD22 LEU 76 HD22 LEU 76 2.874 1.579 -10.198 592 HD23 LEU 76 HD23 LEU 76 3.273 0.092 -9.339 593 H VAL 77 HN VAL 77 1.240 -0.340 -4.311 594 HA VAL 77 HA VAL 77 3.579 -1.361 -3.060 595 HB VAL 77 HB VAL 77 0.817 -0.812 -1.959 596 HG11 VAL 77 HG11 VAL 77 1.965 -2.473 -0.584 597 HG12 VAL 77 HG12 VAL 77 1.812 -0.929 0.257 598 HG13 VAL 77 HG13 VAL 77 3.359 -1.397 -0.449 599 HG21 VAL 77 HG21 VAL 77 3.388 0.757 -1.762 600 HG22 VAL 77 HG22 VAL 77 1.846 1.196 -1.025 601 HG23 VAL 77 HG23 VAL 77 2.006 1.160 -2.781 602 H LEU 78 HN LEU 78 0.360 -2.687 -3.650 603 HA LEU 78 HA LEU 78 0.651 -5.111 -2.277 604 HB2 LEU 78 HB2 LEU 78 -1.505 -4.298 -2.993 605 HB3 LEU 78 HB1 LEU 78 -1.020 -4.373 -4.675 606 HG LEU 78 HG LEU 78 -0.830 -6.872 -4.409 607 HD11 LEU 78 HD11 LEU 78 -2.287 -6.303 -1.835 608 HD12 LEU 78 HD12 LEU 78 -0.637 -6.910 -1.973 609 HD13 LEU 78 HD13 LEU 78 -1.990 -7.894 -2.534 610 HD21 LEU 78 HD21 LEU 78 -2.735 -5.809 -5.501 611 HD22 LEU 78 HD22 LEU 78 -3.531 -5.611 -3.938 612 HD23 LEU 78 HD23 LEU 78 -3.244 -7.228 -4.586 613 H GLY 79 HN GLY 79 1.172 -4.352 -5.720 614 HA2 GLY 79 HA2 GLY 79 1.904 -6.908 -6.572 615 HA3 GLY 79 HA1 GLY 79 2.420 -5.409 -7.329 616 H ALA 80 HN ALA 80 3.888 -4.364 -5.143 617 HA ALA 80 HA ALA 80 6.402 -5.517 -5.599 618 HB1 ALA 80 HB1 ALA 80 5.536 -3.714 -3.345 619 HB2 ALA 80 HB2 ALA 80 6.116 -3.198 -4.928 620 HB3 ALA 80 HB3 ALA 80 7.200 -4.040 -3.825 621 H LEU 81 HN LEU 81 4.318 -5.703 -2.703 622 HA LEU 81 HA LEU 81 6.052 -7.487 -1.330 623 HB2 LEU 81 HB2 LEU 81 3.152 -6.789 -0.917 624 HB3 LEU 81 HB1 LEU 81 4.040 -7.870 0.142 625 HG LEU 81 HG LEU 81 4.401 -4.910 -0.235 626 HD11 LEU 81 HD11 LEU 81 2.798 -5.718 1.440 627 HD12 LEU 81 HD12 LEU 81 4.160 -4.871 2.173 628 HD13 LEU 81 HD13 LEU 81 4.089 -6.634 2.217 629 HD21 LEU 81 HD21 LEU 81 6.399 -5.125 1.255 630 HD22 LEU 81 HD22 LEU 81 6.635 -5.739 -0.379 631 HD23 LEU 81 HD23 LEU 81 6.366 -6.863 0.954 632 H LYS 82 HN LYS 82 3.446 -7.917 -3.593 633 HA LYS 82 HA LYS 82 2.878 -10.628 -3.123 634 HB2 LYS 82 HB2 LYS 82 2.439 -8.712 -5.331 635 HB3 LYS 82 HB1 LYS 82 2.444 -10.408 -5.793 636 HG2 LYS 82 HG2 LYS 82 0.668 -10.878 -4.225 637 HG3 LYS 82 HG1 LYS 82 0.714 -9.212 -3.642 638 HD2 LYS 82 HD2 LYS 82 -0.047 -8.377 -5.742 639 HD3 LYS 82 HD1 LYS 82 0.132 -9.960 -6.501 640 HE2 LYS 82 HE2 LYS 82 -1.679 -9.618 -4.147 641 HE3 LYS 82 HE1 LYS 82 -2.220 -9.135 -5.752 642 HZ1 LYS 82 HZ1 LYS 82 -2.749 -11.479 -4.999 643 HZ2 LYS 82 HZ2 LYS 82 -1.111 -11.824 -5.239 644 HZ3 LYS 82 HZ3 LYS 82 -2.063 -11.309 -6.533 645 H ALA 83 HN ALA 83 5.365 -9.038 -5.024 646 HA ALA 83 HA ALA 83 6.354 -11.477 -6.189 647 HB1 ALA 83 HB1 ALA 83 7.607 -8.734 -6.056 648 HB2 ALA 83 HB2 ALA 83 6.597 -9.350 -7.365 649 HB3 ALA 83 HB3 ALA 83 8.171 -10.079 -7.046 650 H ALA 84 HN ALA 84 7.101 -9.470 -3.411 651 HA ALA 84 HA ALA 84 9.584 -10.656 -2.750 652 HB1 ALA 84 HB1 ALA 84 9.267 -9.599 -0.554 653 HB2 ALA 84 HB2 ALA 84 7.598 -9.220 -0.985 654 HB3 ALA 84 HB3 ALA 84 8.930 -8.485 -1.877 655 H ARG 85 HN ARG 85 6.271 -11.288 -1.634 656 HA ARG 85 HA ARG 85 7.071 -13.401 0.129 657 HB2 ARG 85 HB2 ARG 85 4.490 -12.234 -0.779 658 HB3 ARG 85 HB1 ARG 85 4.456 -13.874 -0.146 659 HG2 ARG 85 HG2 ARG 85 5.740 -12.897 1.860 660 HG3 ARG 85 HG1 ARG 85 5.199 -11.332 1.248 661 HD2 ARG 85 HD2 ARG 85 2.903 -11.975 1.439 662 HD3 ARG 85 HD1 ARG 85 3.348 -13.638 1.816 663 HE ARG 85 HE ARG 85 3.409 -11.346 3.613 664 HH11 ARG 85 HH11 ARG 85 4.549 -15.035 4.753 665 HH12 ARG 85 HH12 ARG 85 4.331 -14.682 3.070 666 HH21 ARG 85 HH21 ARG 85 3.654 -11.816 5.849 667 HH22 ARG 85 HH22 ARG 85 4.179 -13.400 6.334 668 H GLU 86 HN GLU 86 6.628 -13.199 -3.210 669 HA GLU 86 HA GLU 86 5.741 -15.898 -3.646 670 HB2 GLU 86 HB2 GLU 86 5.331 -13.919 -5.181 671 HB3 GLU 86 HB1 GLU 86 7.020 -14.038 -5.648 672 HG2 GLU 86 HG2 GLU 86 6.717 -16.042 -6.751 673 HG3 GLU 86 HG1 GLU 86 5.241 -16.422 -5.864 674 H GLU 87 HN GLU 87 8.778 -14.249 -3.350 675 HA GLU 87 HA GLU 87 10.334 -16.398 -4.484 676 HB2 GLU 87 HB2 GLU 87 10.897 -13.708 -3.358 677 HB3 GLU 87 HB1 GLU 87 12.193 -14.893 -3.288 678 HG2 GLU 87 HG2 GLU 87 10.726 -14.275 -5.829 679 HG3 GLU 87 HG1 GLU 87 12.132 -13.355 -5.299 680 H1 IHP 101 H37 IHP 0 15.083 10.732 1.195 681 H2 IHP 101 H38 IHP 0 13.597 11.403 3.052 682 H3 IHP 101 H39 IHP 0 13.231 12.332 0.790 683 H4 IHP 101 H40 IHP 0 11.269 9.997 0.493 684 H5 IHP 101 H41 IHP 0 13.855 10.699 -0.980 685 H6 IHP 101 H42 IHP 0 13.148 8.388 0.898 Start of MODEL 20 1 H1 SER 1 HT1 SER 1 2.101 5.949 10.794 2 H2 SER 1 HT2 SER 1 2.712 5.966 9.220 3 H3 SER 1 HT3 SER 1 2.869 7.330 10.198 4 HA SER 1 HA SER 1 4.344 6.191 11.675 5 HB2 SER 1 HB2 SER 1 5.106 3.897 11.075 6 HB3 SER 1 HB1 SER 1 3.392 3.958 11.484 7 HG SER 1 HG SER 1 3.197 2.971 9.631 8 H GLU 2 HN GLU 2 6.652 5.215 10.820 9 HA GLU 2 HA GLU 2 7.266 6.629 8.319 10 HB2 GLU 2 HB2 GLU 2 9.556 7.057 9.669 11 HB3 GLU 2 HB1 GLU 2 8.223 8.202 9.642 12 HG2 GLU 2 HG2 GLU 2 7.382 7.153 11.743 13 HG3 GLU 2 HG1 GLU 2 8.862 6.199 11.793 14 H ALA 3 HN ALA 3 8.908 4.605 10.754 15 HA ALA 3 HA ALA 3 10.690 3.395 8.967 16 HB1 ALA 3 HB1 ALA 3 10.848 3.467 11.475 17 HB2 ALA 3 HB2 ALA 3 11.260 1.925 10.724 18 HB3 ALA 3 HB3 ALA 3 9.693 2.135 11.503 19 H VAL 4 HN VAL 4 7.437 2.467 9.936 20 HA VAL 4 HA VAL 4 7.510 -0.138 8.814 21 HB VAL 4 HB VAL 4 4.986 1.488 9.079 22 HG11 VAL 4 HG11 VAL 4 4.854 -0.731 8.017 23 HG12 VAL 4 HG12 VAL 4 3.974 -0.667 9.541 24 HG13 VAL 4 HG13 VAL 4 5.549 -1.451 9.469 25 HG21 VAL 4 HG21 VAL 4 4.845 0.717 11.414 26 HG22 VAL 4 HG22 VAL 4 6.218 1.795 11.153 27 HG23 VAL 4 HG23 VAL 4 6.474 0.054 11.281 28 H ILE 5 HN ILE 5 6.981 3.020 7.473 29 HA ILE 5 HA ILE 5 5.832 2.075 5.004 30 HB ILE 5 HB ILE 5 7.015 4.770 5.723 31 HG12 ILE 5 HG12 ILE 5 4.154 3.794 5.581 32 HG13 ILE 5 HG11 ILE 5 5.032 4.273 7.030 33 HG21 ILE 5 HG21 ILE 5 5.288 4.113 3.344 34 HG22 ILE 5 HG22 ILE 5 7.046 4.246 3.274 35 HG23 ILE 5 HG23 ILE 5 6.072 5.650 3.714 36 HD11 ILE 5 HD11 ILE 5 4.216 6.065 4.757 37 HD12 ILE 5 HD12 ILE 5 5.170 6.571 6.150 38 HD13 ILE 5 HD13 ILE 5 3.509 6.019 6.372 39 H LYS 6 HN LYS 6 8.985 2.751 6.299 40 HA LYS 6 HA LYS 6 10.484 3.048 3.978 41 HB2 LYS 6 HB2 LYS 6 11.018 2.977 6.666 42 HB3 LYS 6 HB1 LYS 6 11.821 1.522 6.093 43 HG2 LYS 6 HG2 LYS 6 13.072 3.823 6.168 44 HG3 LYS 6 HG1 LYS 6 13.343 2.682 4.847 45 HD2 LYS 6 HD2 LYS 6 12.020 3.909 3.361 46 HD3 LYS 6 HD1 LYS 6 11.223 4.793 4.664 47 HE2 LYS 6 HE2 LYS 6 13.344 5.934 5.144 48 HE3 LYS 6 HE1 LYS 6 14.084 5.084 3.786 49 HZ1 LYS 6 HZ1 LYS 6 11.645 6.432 3.112 50 HZ2 LYS 6 HZ2 LYS 6 13.147 6.464 2.334 51 HZ3 LYS 6 HZ3 LYS 6 12.856 7.475 3.652 52 H VAL 7 HN VAL 7 9.341 0.153 5.570 53 HA VAL 7 HA VAL 7 10.853 -1.739 4.150 54 HB VAL 7 HB VAL 7 8.019 -2.149 5.109 55 HG11 VAL 7 HG11 VAL 7 10.290 -4.121 5.042 56 HG12 VAL 7 HG12 VAL 7 9.162 -3.910 3.703 57 HG13 VAL 7 HG13 VAL 7 8.572 -4.443 5.276 58 HG21 VAL 7 HG21 VAL 7 9.339 -1.113 6.895 59 HG22 VAL 7 HG22 VAL 7 10.559 -2.375 6.723 60 HG23 VAL 7 HG23 VAL 7 8.936 -2.786 7.272 61 H ILE 8 HN ILE 8 7.903 -0.014 3.408 62 HA ILE 8 HA ILE 8 7.270 -1.524 1.058 63 HB ILE 8 HB ILE 8 6.292 1.221 1.864 64 HG12 ILE 8 HG12 ILE 8 5.817 -0.378 3.650 65 HG13 ILE 8 HG11 ILE 8 4.329 0.054 2.813 66 HG21 ILE 8 HG21 ILE 8 4.350 0.661 0.445 67 HG22 ILE 8 HG22 ILE 8 5.169 -0.824 -0.042 68 HG23 ILE 8 HG23 ILE 8 5.864 0.743 -0.461 69 HD11 ILE 8 HD11 ILE 8 5.900 -2.488 2.493 70 HD12 ILE 8 HD12 ILE 8 4.485 -2.049 1.538 71 HD13 ILE 8 HD13 ILE 8 4.334 -2.291 3.278 72 H SER 9 HN SER 9 8.788 1.593 1.773 73 HA SER 9 HA SER 9 9.092 2.567 -0.808 74 HB2 SER 9 HB2 SER 9 11.147 2.945 1.368 75 HB3 SER 9 HB1 SER 9 10.680 4.076 0.099 76 HG SER 9 HG SER 9 8.835 4.528 1.147 77 H SER 10 HN SER 10 11.518 0.755 1.100 78 HA SER 10 HA SER 10 13.407 0.565 -0.962 79 HB2 SER 10 HB2 SER 10 13.057 -1.457 1.253 80 HB3 SER 10 HB1 SER 10 14.541 -1.015 0.415 81 HG SER 10 HG SER 10 13.655 1.222 1.401 82 H ALA 11 HN ALA 11 10.808 -1.670 -0.003 83 HA ALA 11 HA ALA 11 11.501 -3.770 -1.739 84 HB1 ALA 11 HB1 ALA 11 8.761 -3.056 -0.698 85 HB2 ALA 11 HB2 ALA 11 9.956 -4.058 0.130 86 HB3 ALA 11 HB3 ALA 11 9.245 -4.609 -1.387 87 H CYS 12 HN CYS 12 9.016 -1.237 -2.181 88 HA CYS 12 HA CYS 12 8.242 -2.027 -4.754 89 HB2 CYS 12 HB2 CYS 12 8.158 0.742 -3.545 90 HB3 CYS 12 HB1 CYS 12 7.252 0.208 -4.958 91 HG CYS 12 HG CYS 12 6.791 -0.684 -1.703 92 H LYS 13 HN LYS 13 10.724 0.302 -3.721 93 HA LYS 13 HA LYS 13 11.318 1.102 -6.398 94 HB2 LYS 13 HB2 LYS 13 12.609 1.610 -3.740 95 HB3 LYS 13 HB1 LYS 13 13.378 2.135 -5.236 96 HG2 LYS 13 HG2 LYS 13 11.586 3.558 -5.778 97 HG3 LYS 13 HG1 LYS 13 10.539 2.836 -4.558 98 HD2 LYS 13 HD2 LYS 13 11.997 3.745 -2.801 99 HD3 LYS 13 HD1 LYS 13 13.001 4.497 -4.044 100 HE2 LYS 13 HE2 LYS 13 11.090 5.812 -4.804 101 HE3 LYS 13 HE1 LYS 13 10.072 5.049 -3.588 102 HZ1 LYS 13 HZ1 LYS 13 12.312 6.929 -3.180 103 HZ2 LYS 13 HZ2 LYS 13 11.711 5.983 -1.920 104 HZ3 LYS 13 HZ3 LYS 13 10.703 7.099 -2.696 105 H THR 14 HN THR 14 11.830 -1.797 -5.071 106 HA THR 14 HA THR 14 14.387 -2.163 -6.477 107 HB THR 14 HB THR 14 13.118 -3.970 -4.403 108 HG1 THR 14 HG1 THR 14 13.919 -2.156 -3.379 109 HG21 THR 14 HG21 THR 14 15.814 -4.101 -5.769 110 HG22 THR 14 HG22 THR 14 14.480 -5.241 -5.967 111 HG23 THR 14 HG23 THR 14 15.309 -5.116 -4.417 112 H TYR 15 HN TYR 15 11.040 -2.989 -6.394 113 HA TYR 15 HA TYR 15 11.398 -5.048 -8.441 114 HB2 TYR 15 HB2 TYR 15 9.056 -4.291 -6.700 115 HB3 TYR 15 HB1 TYR 15 8.881 -5.359 -8.086 116 HD1 TYR 15 HD1 TYR 15 9.699 -5.153 -4.631 117 HD2 TYR 15 HD2 TYR 15 10.372 -7.461 -8.138 118 HE1 TYR 15 HE1 TYR 15 10.387 -7.054 -3.241 119 HE2 TYR 15 HE2 TYR 15 11.063 -9.372 -6.758 120 HH TYR 15 HH TYR 15 11.682 -10.011 -4.671 121 H CYS 16 HN CYS 16 9.590 -2.054 -7.838 122 HA CYS 16 HA CYS 16 8.892 -1.875 -10.664 123 HB2 CYS 16 HB2 CYS 16 8.243 0.113 -8.483 124 HB3 CYS 16 HB1 CYS 16 7.433 -0.092 -10.034 125 HG CYS 16 HG CYS 16 5.548 -1.488 -9.009 126 H GLY 17 HN GLY 17 10.976 -0.405 -8.275 127 HA2 GLY 17 HA2 GLY 17 12.910 0.816 -8.592 128 HA3 GLY 17 HA1 GLY 17 12.651 0.703 -10.326 129 H LYS 18 HN LYS 18 11.836 2.401 -11.396 130 HA LYS 18 HA LYS 18 11.560 4.879 -9.929 131 HB2 LYS 18 HB2 LYS 18 11.474 5.934 -12.129 132 HB3 LYS 18 HB1 LYS 18 12.844 4.838 -12.008 133 HG2 LYS 18 HG2 LYS 18 11.141 3.136 -13.086 134 HG3 LYS 18 HG1 LYS 18 10.374 4.624 -13.647 135 HD2 LYS 18 HD2 LYS 18 13.272 3.903 -14.070 136 HD3 LYS 18 HD1 LYS 18 11.990 3.692 -15.266 137 HE2 LYS 18 HE2 LYS 18 11.622 6.056 -15.380 138 HE3 LYS 18 HE1 LYS 18 12.709 6.341 -14.022 139 HZ1 LYS 18 HZ1 LYS 18 14.545 5.545 -15.363 140 HZ2 LYS 18 HZ2 LYS 18 13.767 6.830 -16.140 141 HZ3 LYS 18 HZ3 LYS 18 13.503 5.242 -16.661 142 H THR 19 HN THR 19 9.504 2.520 -11.368 143 HA THR 19 HA THR 19 7.207 4.283 -11.502 144 HB THR 19 HB THR 19 6.385 1.609 -11.806 145 HG1 THR 19 HG1 THR 19 8.113 1.336 -13.657 146 HG21 THR 19 HG21 THR 19 6.113 2.253 -14.158 147 HG22 THR 19 HG22 THR 19 7.136 3.666 -13.891 148 HG23 THR 19 HG23 THR 19 5.573 3.542 -13.085 149 H SER 20 HN SER 20 8.348 4.015 -8.923 150 HA SER 20 HA SER 20 6.393 2.381 -7.457 151 HB2 SER 20 HB2 SER 20 8.843 3.665 -6.259 152 HB3 SER 20 HB1 SER 20 7.936 2.277 -5.670 153 HG SER 20 HG SER 20 9.934 2.411 -7.567 154 HA PRO 21 HA PRO 21 4.472 6.127 -6.091 155 HB2 PRO 21 HB2 PRO 21 3.188 5.258 -3.884 156 HB3 PRO 21 HB1 PRO 21 2.706 4.733 -5.510 157 HG2 PRO 21 HG2 PRO 21 4.300 3.286 -3.455 158 HG3 PRO 21 HG1 PRO 21 3.059 2.674 -4.566 159 HD2 PRO 21 HD2 PRO 21 5.767 2.416 -4.979 160 HD3 PRO 21 HD1 PRO 21 4.546 2.381 -6.264 161 H SER 22 HN SER 22 5.206 7.860 -5.014 162 HA SER 22 HA SER 22 7.392 7.743 -3.242 163 HB2 SER 22 HB2 SER 22 5.460 10.052 -3.499 164 HB3 SER 22 HB1 SER 22 7.180 10.114 -3.100 165 HG SER 22 HG SER 22 7.675 9.563 -5.188 166 H LYS 23 HN LYS 23 7.455 8.444 -0.996 167 HA LYS 23 HA LYS 23 5.697 7.056 0.656 168 HB2 LYS 23 HB2 LYS 23 7.861 7.644 1.473 169 HB3 LYS 23 HB1 LYS 23 7.562 9.358 1.226 170 HG2 LYS 23 HG2 LYS 23 5.747 7.928 3.075 171 HG3 LYS 23 HG1 LYS 23 7.408 8.179 3.609 172 HD2 LYS 23 HD2 LYS 23 5.951 10.493 2.440 173 HD3 LYS 23 HD1 LYS 23 5.502 9.965 4.061 174 HE2 LYS 23 HE2 LYS 23 7.191 11.720 4.141 175 HE3 LYS 23 HE1 LYS 23 7.810 10.205 4.787 176 HZ1 LYS 23 HZ1 LYS 23 9.428 11.277 3.369 177 HZ2 LYS 23 HZ2 LYS 23 8.351 11.265 2.061 178 HZ3 LYS 23 HZ3 LYS 23 8.937 9.810 2.695 179 H LYS 24 HN LYS 24 5.639 10.381 -0.454 180 HA LYS 24 HA LYS 24 3.726 11.460 1.234 181 HB2 LYS 24 HB2 LYS 24 3.870 12.122 -1.698 182 HB3 LYS 24 HB1 LYS 24 3.452 13.185 -0.364 183 HG2 LYS 24 HG2 LYS 24 5.970 12.456 0.331 184 HG3 LYS 24 HG1 LYS 24 6.079 12.428 -1.429 185 HD2 LYS 24 HD2 LYS 24 5.010 14.734 -1.378 186 HD3 LYS 24 HD1 LYS 24 5.336 14.731 0.357 187 HE2 LYS 24 HE2 LYS 24 7.344 14.532 -1.884 188 HE3 LYS 24 HE1 LYS 24 7.130 15.870 -0.760 189 HZ1 LYS 24 HZ1 LYS 24 7.807 13.177 0.231 190 HZ2 LYS 24 HZ2 LYS 24 8.082 14.674 0.963 191 HZ3 LYS 24 HZ3 LYS 24 9.014 14.196 -0.359 192 H GLU 25 HN GLU 25 3.322 9.281 -1.465 193 HA GLU 25 HA GLU 25 0.436 9.636 -1.499 194 HB2 GLU 25 HB2 GLU 25 2.089 9.062 -3.500 195 HB3 GLU 25 HB1 GLU 25 1.794 7.415 -2.966 196 HG2 GLU 25 HG2 GLU 25 -0.613 7.771 -3.229 197 HG3 GLU 25 HG1 GLU 25 -0.292 9.405 -3.809 198 H ILE 26 HN ILE 26 2.842 7.261 -0.497 199 HA ILE 26 HA ILE 26 1.088 5.184 0.205 200 HB ILE 26 HB ILE 26 3.748 5.819 1.489 201 HG12 ILE 26 HG12 ILE 26 3.129 4.056 -0.899 202 HG13 ILE 26 HG11 ILE 26 3.887 5.643 -0.982 203 HG21 ILE 26 HG21 ILE 26 2.444 4.211 2.765 204 HG22 ILE 26 HG22 ILE 26 3.810 3.415 1.987 205 HG23 ILE 26 HG23 ILE 26 2.190 3.238 1.316 206 HD11 ILE 26 HD11 ILE 26 5.790 4.812 0.282 207 HD12 ILE 26 HD12 ILE 26 5.524 3.851 -1.176 208 HD13 ILE 26 HD13 ILE 26 5.029 3.225 0.401 209 H GLY 27 HN GLY 27 2.347 7.921 2.080 210 HA2 GLY 27 HA2 GLY 27 1.371 7.229 4.596 211 HA3 GLY 27 HA1 GLY 27 1.616 8.876 4.037 212 H ALA 28 HN ALA 28 -0.259 8.937 1.963 213 HA ALA 28 HA ALA 28 -2.624 9.504 3.409 214 HB1 ALA 28 HB1 ALA 28 -1.988 10.674 1.330 215 HB2 ALA 28 HB2 ALA 28 -3.625 10.018 1.264 216 HB3 ALA 28 HB3 ALA 28 -2.312 9.195 0.423 217 H MET 29 HN MET 29 -1.691 6.868 1.251 218 HA MET 29 HA MET 29 -4.142 5.483 1.258 219 HB2 MET 29 HB2 MET 29 -2.351 5.037 -0.359 220 HB3 MET 29 HB1 MET 29 -1.332 4.411 0.928 221 HG2 MET 29 HG2 MET 29 -3.317 2.754 1.298 222 HG3 MET 29 HG1 MET 29 -3.730 3.195 -0.359 223 HE1 MET 29 HE1 MET 29 -1.210 1.467 2.025 224 HE2 MET 29 HE2 MET 29 -0.184 2.755 1.396 225 HE3 MET 29 HE3 MET 29 0.147 1.077 0.969 226 H LEU 30 HN LEU 30 -1.277 5.214 3.322 227 HA LEU 30 HA LEU 30 -2.052 3.011 4.855 228 HB2 LEU 30 HB2 LEU 30 0.143 4.578 4.744 229 HB3 LEU 30 HB1 LEU 30 -0.584 5.193 6.215 230 HG LEU 30 HG LEU 30 -0.653 2.775 7.022 231 HD11 LEU 30 HD11 LEU 30 -0.340 1.672 4.897 232 HD12 LEU 30 HD12 LEU 30 0.993 1.274 5.980 233 HD13 LEU 30 HD13 LEU 30 1.226 2.454 4.689 234 HD21 LEU 30 HD21 LEU 30 1.725 2.827 7.680 235 HD22 LEU 30 HD22 LEU 30 0.915 4.374 7.917 236 HD23 LEU 30 HD23 LEU 30 1.990 4.144 6.539 237 H SER 31 HN SER 31 -2.502 6.479 5.485 238 HA SER 31 HA SER 31 -3.886 6.211 7.913 239 HB2 SER 31 HB2 SER 31 -4.231 8.451 5.910 240 HB3 SER 31 HB1 SER 31 -4.443 8.534 7.659 241 HG SER 31 HG SER 31 -2.077 8.410 6.141 242 H LEU 32 HN LEU 32 -4.963 6.152 4.575 243 HA LEU 32 HA LEU 32 -7.731 6.387 5.072 244 HB2 LEU 32 HB2 LEU 32 -6.030 6.098 2.833 245 HB3 LEU 32 HB1 LEU 32 -7.225 4.820 2.735 246 HG LEU 32 HG LEU 32 -7.928 6.783 1.477 247 HD11 LEU 32 HD11 LEU 32 -9.614 5.353 2.547 248 HD12 LEU 32 HD12 LEU 32 -10.147 7.027 2.390 249 HD13 LEU 32 HD13 LEU 32 -9.601 6.416 3.953 250 HD21 LEU 32 HD21 LEU 32 -8.460 8.878 2.599 251 HD22 LEU 32 HD22 LEU 32 -6.750 8.482 2.767 252 HD23 LEU 32 HD23 LEU 32 -7.851 8.227 4.120 253 H LEU 33 HN LEU 33 -5.612 3.576 4.650 254 HA LEU 33 HA LEU 33 -7.590 1.590 4.739 255 HB2 LEU 33 HB2 LEU 33 -4.736 1.400 5.714 256 HB3 LEU 33 HB1 LEU 33 -5.782 0.048 5.323 257 HG LEU 33 HG LEU 33 -4.802 2.108 3.342 258 HD11 LEU 33 HD11 LEU 33 -3.430 0.284 2.460 259 HD12 LEU 33 HD12 LEU 33 -3.957 -0.751 3.790 260 HD13 LEU 33 HD13 LEU 33 -2.991 0.688 4.122 261 HD21 LEU 33 HD21 LEU 33 -6.409 -0.418 2.990 262 HD22 LEU 33 HD22 LEU 33 -5.701 0.521 1.676 263 HD23 LEU 33 HD23 LEU 33 -6.951 1.237 2.691 264 H GLN 34 HN GLN 34 -5.992 3.387 7.252 265 HA GLN 34 HA GLN 34 -6.836 1.704 9.408 266 HB2 GLN 34 HB2 GLN 34 -5.760 4.527 9.374 267 HB3 GLN 34 HB1 GLN 34 -6.073 3.607 10.837 268 HG2 GLN 34 HG2 GLN 34 -4.203 2.706 8.669 269 HG3 GLN 34 HG1 GLN 34 -3.695 3.630 10.079 270 HE21 GLN 34 HE21 GLN 34 -3.032 0.899 9.147 271 HE22 GLN 34 HE22 GLN 34 -3.408 -0.138 10.477 272 H LYS 35 HN LYS 35 -7.954 4.852 8.136 273 HA LYS 35 HA LYS 35 -10.039 5.083 10.060 274 HB2 LYS 35 HB2 LYS 35 -10.829 6.974 8.806 275 HB3 LYS 35 HB1 LYS 35 -9.080 7.042 8.899 276 HG2 LYS 35 HG2 LYS 35 -8.822 6.460 6.647 277 HG3 LYS 35 HG1 LYS 35 -10.488 5.895 6.513 278 HD2 LYS 35 HD2 LYS 35 -9.765 8.764 7.084 279 HD3 LYS 35 HD1 LYS 35 -9.996 8.139 5.452 280 HE2 LYS 35 HE2 LYS 35 -12.274 7.419 6.096 281 HE3 LYS 35 HE1 LYS 35 -12.032 8.169 7.675 282 HZ1 LYS 35 HZ1 LYS 35 -11.791 10.300 6.612 283 HZ2 LYS 35 HZ2 LYS 35 -13.252 9.600 6.136 284 HZ3 LYS 35 HZ3 LYS 35 -11.931 9.604 5.080 285 H GLU 36 HN GLU 36 -9.798 3.435 7.028 286 HA GLU 36 HA GLU 36 -12.634 3.232 6.594 287 HB2 GLU 36 HB2 GLU 36 -10.187 2.092 5.321 288 HB3 GLU 36 HB1 GLU 36 -11.709 1.250 5.063 289 HG2 GLU 36 HG2 GLU 36 -11.326 4.179 4.515 290 HG3 GLU 36 HG1 GLU 36 -11.074 2.922 3.305 291 H GLY 37 HN GLY 37 -10.407 1.723 8.635 292 HA2 GLY 37 HA2 GLY 37 -10.812 0.147 10.285 293 HA3 GLY 37 HA1 GLY 37 -12.416 -0.101 9.610 294 H LEU 38 HN LEU 38 -9.756 -0.253 7.454 295 HA LEU 38 HA LEU 38 -10.315 -3.026 6.914 296 HB2 LEU 38 HB2 LEU 38 -8.385 -1.054 5.698 297 HB3 LEU 38 HB1 LEU 38 -8.499 -2.723 5.178 298 HG LEU 38 HG LEU 38 -10.808 -0.784 5.093 299 HD11 LEU 38 HD11 LEU 38 -8.887 -1.601 2.918 300 HD12 LEU 38 HD12 LEU 38 -9.087 0.012 3.598 301 HD13 LEU 38 HD13 LEU 38 -10.388 -0.715 2.659 302 HD21 LEU 38 HD21 LEU 38 -11.739 -2.477 3.540 303 HD22 LEU 38 HD22 LEU 38 -11.530 -3.073 5.187 304 HD23 LEU 38 HD23 LEU 38 -10.380 -3.531 3.929 305 H LEU 39 HN LEU 39 -7.627 -1.137 8.208 306 HA LEU 39 HA LEU 39 -6.474 -3.650 9.212 307 HB2 LEU 39 HB2 LEU 39 -5.003 -1.242 8.132 308 HB3 LEU 39 HB1 LEU 39 -4.232 -2.564 8.982 309 HG LEU 39 HG LEU 39 -5.656 -2.743 6.328 310 HD11 LEU 39 HD11 LEU 39 -2.746 -2.954 7.074 311 HD12 LEU 39 HD12 LEU 39 -3.507 -1.675 6.128 312 HD13 LEU 39 HD13 LEU 39 -3.412 -3.311 5.481 313 HD21 LEU 39 HD21 LEU 39 -6.050 -4.803 7.397 314 HD22 LEU 39 HD22 LEU 39 -4.431 -4.845 8.087 315 HD23 LEU 39 HD23 LEU 39 -4.655 -5.078 6.353 316 H MET 40 HN MET 40 -5.194 -3.404 11.176 317 HA MET 40 HA MET 40 -6.256 -1.229 12.851 318 HB2 MET 40 HB2 MET 40 -6.794 -3.567 13.525 319 HB3 MET 40 HB1 MET 40 -5.073 -3.868 13.723 320 HG2 MET 40 HG2 MET 40 -4.994 -2.097 15.441 321 HG3 MET 40 HG1 MET 40 -6.738 -1.906 15.281 322 HE1 MET 40 HE1 MET 40 -3.804 -4.057 16.588 323 HE2 MET 40 HE2 MET 40 -4.425 -5.146 15.349 324 HE3 MET 40 HE3 MET 40 -4.579 -5.570 17.052 325 H SER 41 HN SER 41 -3.350 -2.807 11.752 326 HA SER 41 HA SER 41 -1.772 -0.696 13.065 327 HB2 SER 41 HB2 SER 41 -0.103 -2.946 12.700 328 HB3 SER 41 HB1 SER 41 -0.693 -2.287 14.226 329 HG SER 41 HG SER 41 -2.248 -4.059 12.643 330 HA PRO 42 HA PRO 42 -0.246 0.155 8.990 331 HB2 PRO 42 HB2 PRO 42 2.244 1.114 9.605 332 HB3 PRO 42 HB1 PRO 42 0.755 2.054 9.828 333 HG2 PRO 42 HG2 PRO 42 2.337 0.528 11.842 334 HG3 PRO 42 HG1 PRO 42 1.565 2.123 11.978 335 HD2 PRO 42 HD2 PRO 42 0.448 -0.093 13.021 336 HD3 PRO 42 HD1 PRO 42 -0.524 1.231 12.353 337 H SER 43 HN SER 43 1.304 -2.004 11.151 338 HA SER 43 HA SER 43 3.185 -3.009 9.176 339 HB2 SER 43 HB2 SER 43 3.303 -4.657 11.399 340 HB3 SER 43 HB1 SER 43 4.329 -3.254 11.102 341 HG SER 43 HG SER 43 2.896 -3.480 13.149 342 H ASP 44 HN ASP 44 0.030 -3.355 9.422 343 HA ASP 44 HA ASP 44 -0.245 -6.218 9.489 344 HB2 ASP 44 HB2 ASP 44 -2.120 -3.928 9.045 345 HB3 ASP 44 HB1 ASP 44 -2.609 -5.540 8.536 346 H LEU 45 HN LEU 45 1.066 -4.267 7.246 347 HA LEU 45 HA LEU 45 -0.149 -5.215 4.849 348 HB2 LEU 45 HB2 LEU 45 2.327 -3.681 5.508 349 HB3 LEU 45 HB1 LEU 45 2.179 -4.390 3.911 350 HG LEU 45 HG LEU 45 1.451 -2.159 3.692 351 HD11 LEU 45 HD11 LEU 45 -1.116 -3.681 4.043 352 HD12 LEU 45 HD12 LEU 45 -0.022 -3.922 2.680 353 HD13 LEU 45 HD13 LEU 45 -0.779 -2.350 2.936 354 HD21 LEU 45 HD21 LEU 45 -0.265 -1.143 5.127 355 HD22 LEU 45 HD22 LEU 45 1.179 -1.601 6.033 356 HD23 LEU 45 HD23 LEU 45 -0.274 -2.597 6.125 357 H TYR 46 HN TYR 46 1.971 -6.590 7.083 358 HA TYR 46 HA TYR 46 3.403 -8.313 5.289 359 HB2 TYR 46 HB2 TYR 46 3.065 -8.326 8.292 360 HB3 TYR 46 HB1 TYR 46 4.033 -9.514 7.431 361 HD1 TYR 46 HD1 TYR 46 5.880 -8.478 5.845 362 HD2 TYR 46 HD2 TYR 46 4.092 -6.459 9.134 363 HE1 TYR 46 HE1 TYR 46 7.834 -6.993 5.992 364 HE2 TYR 46 HE2 TYR 46 6.038 -4.966 9.283 365 HH TYR 46 HH TYR 46 8.123 -4.445 6.990 366 H SER 47 HN SER 47 0.273 -8.280 6.569 367 HA SER 47 HA SER 47 -0.066 -11.163 6.605 368 HB2 SER 47 HB2 SER 47 -2.205 -9.054 6.915 369 HB3 SER 47 HB1 SER 47 -2.253 -10.729 7.463 370 HG SER 47 HG SER 47 -0.107 -9.524 8.513 371 HA PRO 48 HA PRO 48 -0.981 -10.889 2.174 372 HB2 PRO 48 HB2 PRO 48 -1.130 -13.596 1.806 373 HB3 PRO 48 HB1 PRO 48 0.399 -12.699 1.846 374 HG2 PRO 48 HG2 PRO 48 -0.896 -14.301 3.991 375 HG3 PRO 48 HG1 PRO 48 0.814 -14.197 3.529 376 HD2 PRO 48 HD2 PRO 48 -0.181 -12.887 5.659 377 HD3 PRO 48 HD1 PRO 48 1.151 -12.241 4.681 378 H GLY 49 HN GLY 49 -2.797 -12.402 4.706 379 HA2 GLY 49 HA2 GLY 49 -5.037 -13.149 3.082 380 HA3 GLY 49 HA1 GLY 49 -4.994 -13.101 4.838 381 H SER 50 HN SER 50 -4.066 -10.268 4.774 382 HA SER 50 HA SER 50 -6.691 -9.086 4.746 383 HB2 SER 50 HB2 SER 50 -4.119 -7.589 5.169 384 HB3 SER 50 HB1 SER 50 -5.708 -7.272 5.865 385 HG SER 50 HG SER 50 -5.247 -9.598 6.728 386 H TRP 51 HN TRP 51 -4.219 -9.459 2.465 387 HA TRP 51 HA TRP 51 -4.415 -7.026 1.042 388 HB2 TRP 51 HB2 TRP 51 -3.652 -9.785 0.059 389 HB3 TRP 51 HB1 TRP 51 -3.426 -8.299 -0.852 390 HD1 TRP 51 HD1 TRP 51 -2.460 -6.998 2.255 391 HE1 TRP 51 HE1 TRP 51 0.045 -7.316 2.774 392 HE3 TRP 51 HE3 TRP 51 -1.368 -10.649 -1.165 393 HZ2 TRP 51 HZ2 TRP 51 2.191 -8.893 1.856 394 HZ3 TRP 51 HZ3 TRP 51 0.938 -11.502 -1.276 395 HH2 TRP 51 HH2 TRP 51 2.679 -10.640 0.200 396 H ASP 52 HN ASP 52 -6.295 -9.960 0.996 397 HA ASP 52 HA ASP 52 -7.604 -9.582 -1.462 398 HB2 ASP 52 HB2 ASP 52 -7.442 -11.691 0.004 399 HB3 ASP 52 HB1 ASP 52 -8.834 -11.042 0.854 400 HA PRO 53 HA PRO 53 -11.397 -7.747 1.000 401 HB2 PRO 53 HB2 PRO 53 -10.725 -6.596 3.428 402 HB3 PRO 53 HB1 PRO 53 -11.466 -8.196 3.237 403 HG2 PRO 53 HG2 PRO 53 -8.613 -7.478 3.664 404 HG3 PRO 53 HG1 PRO 53 -9.555 -8.813 4.352 405 HD2 PRO 53 HD2 PRO 53 -7.841 -9.219 2.341 406 HD3 PRO 53 HD1 PRO 53 -9.382 -10.099 2.442 407 H ILE 54 HN ILE 54 -8.221 -6.271 1.667 408 HA ILE 54 HA ILE 54 -9.046 -3.592 1.541 409 HB ILE 54 HB ILE 54 -6.351 -4.796 0.903 410 HG12 ILE 54 HG12 ILE 54 -7.387 -3.398 3.381 411 HG13 ILE 54 HG11 ILE 54 -7.168 -5.138 3.217 412 HG21 ILE 54 HG21 ILE 54 -5.485 -2.492 1.272 413 HG22 ILE 54 HG22 ILE 54 -7.150 -1.914 1.298 414 HG23 ILE 54 HG23 ILE 54 -6.492 -2.645 -0.166 415 HD11 ILE 54 HD11 ILE 54 -5.018 -3.036 3.165 416 HD12 ILE 54 HD12 ILE 54 -4.755 -4.753 2.860 417 HD13 ILE 54 HD13 ILE 54 -5.330 -4.216 4.437 418 H THR 55 HN THR 55 -7.790 -5.741 -1.003 419 HA THR 55 HA THR 55 -7.764 -3.853 -3.072 420 HB THR 55 HB THR 55 -8.316 -6.810 -3.380 421 HG1 THR 55 HG1 THR 55 -6.408 -6.620 -2.235 422 HG21 THR 55 HG21 THR 55 -7.433 -6.574 -5.587 423 HG22 THR 55 HG22 THR 55 -6.936 -4.912 -5.274 424 HG23 THR 55 HG23 THR 55 -8.650 -5.314 -5.383 425 H ALA 56 HN ALA 56 -10.322 -6.088 -2.040 426 HA ALA 56 HA ALA 56 -12.189 -5.434 -4.033 427 HB1 ALA 56 HB1 ALA 56 -12.705 -6.398 -1.223 428 HB2 ALA 56 HB2 ALA 56 -12.378 -7.417 -2.623 429 HB3 ALA 56 HB3 ALA 56 -13.848 -6.446 -2.564 430 H ALA 57 HN ALA 57 -11.722 -4.142 -0.764 431 HA ALA 57 HA ALA 57 -13.904 -2.374 -0.762 432 HB1 ALA 57 HB1 ALA 57 -12.708 -3.066 1.260 433 HB2 ALA 57 HB2 ALA 57 -12.825 -1.311 1.133 434 HB3 ALA 57 HB3 ALA 57 -11.307 -2.122 0.749 435 H LEU 58 HN LEU 58 -10.500 -1.837 -1.657 436 HA LEU 58 HA LEU 58 -10.853 0.934 -2.192 437 HB2 LEU 58 HB2 LEU 58 -8.710 -0.986 -3.094 438 HB3 LEU 58 HB1 LEU 58 -8.652 0.746 -3.351 439 HG LEU 58 HG LEU 58 -8.588 -0.691 -0.697 440 HD11 LEU 58 HD11 LEU 58 -6.373 0.299 -0.506 441 HD12 LEU 58 HD12 LEU 58 -6.557 1.035 -2.096 442 HD13 LEU 58 HD13 LEU 58 -6.489 -0.718 -1.941 443 HD21 LEU 58 HD21 LEU 58 -9.890 1.316 -0.423 444 HD22 LEU 58 HD22 LEU 58 -8.686 2.262 -1.297 445 HD23 LEU 58 HD23 LEU 58 -8.290 1.569 0.275 446 H SER 59 HN SER 59 -11.080 -1.969 -4.162 447 HA SER 59 HA SER 59 -11.267 -0.657 -6.663 448 HB2 SER 59 HB2 SER 59 -10.815 -3.135 -6.240 449 HB3 SER 59 HB1 SER 59 -12.544 -3.307 -5.957 450 HG SER 59 HG SER 59 -11.155 -2.754 -8.327 451 H GLN 60 HN GLN 60 -13.549 -1.467 -4.160 452 HA GLN 60 HA GLN 60 -15.963 -1.059 -5.517 453 HB2 GLN 60 HB2 GLN 60 -15.891 -2.122 -3.345 454 HB3 GLN 60 HB1 GLN 60 -15.234 -0.669 -2.612 455 HG2 GLN 60 HG2 GLN 60 -17.439 0.416 -3.477 456 HG3 GLN 60 HG1 GLN 60 -18.009 -1.250 -3.514 457 HE21 GLN 60 HE21 GLN 60 -15.706 0.035 -1.188 458 HE22 GLN 60 HE22 GLN 60 -16.737 -0.110 0.186 459 H ARG 61 HN ARG 61 -14.104 1.214 -3.485 460 HA ARG 61 HA ARG 61 -15.811 3.415 -3.968 461 HB2 ARG 61 HB2 ARG 61 -14.111 4.771 -2.914 462 HB3 ARG 61 HB1 ARG 61 -14.289 3.266 -2.029 463 HG2 ARG 61 HG2 ARG 61 -12.296 2.486 -3.528 464 HG3 ARG 61 HG1 ARG 61 -12.021 4.220 -3.705 465 HD2 ARG 61 HD2 ARG 61 -12.353 2.905 -1.027 466 HD3 ARG 61 HD1 ARG 61 -10.789 3.035 -1.821 467 HE ARG 61 HE ARG 61 -11.079 5.475 -1.739 468 HH11 ARG 61 HH11 ARG 61 -13.227 4.765 1.582 469 HH12 ARG 61 HH12 ARG 61 -12.991 3.490 0.436 470 HH21 ARG 61 HH21 ARG 61 -11.381 7.132 -0.229 471 HH22 ARG 61 HH22 ARG 61 -12.311 6.835 1.209 472 H ALA 62 HN ALA 62 -13.251 2.025 -5.808 473 HA ALA 62 HA ALA 62 -12.703 4.372 -7.368 474 HB1 ALA 62 HB1 ALA 62 -11.939 1.496 -7.819 475 HB2 ALA 62 HB2 ALA 62 -10.968 2.734 -7.021 476 HB3 ALA 62 HB3 ALA 62 -11.332 2.870 -8.742 477 H MET 63 HN MET 63 -14.982 1.769 -7.532 478 HA MET 63 HA MET 63 -15.668 2.548 -10.283 479 HB2 MET 63 HB2 MET 63 -16.790 0.444 -10.534 480 HB3 MET 63 HB1 MET 63 -15.194 0.141 -9.868 481 HG2 MET 63 HG2 MET 63 -16.149 -0.144 -7.654 482 HG3 MET 63 HG1 MET 63 -17.752 0.215 -8.286 483 HE1 MET 63 HE1 MET 63 -14.812 -2.007 -9.766 484 HE2 MET 63 HE2 MET 63 -15.314 -3.596 -9.188 485 HE3 MET 63 HE3 MET 63 -14.844 -2.347 -8.036 486 H ILE 64 HN ILE 64 -16.850 2.639 -7.032 487 HA ILE 64 HA ILE 64 -19.542 3.314 -7.958 488 HB ILE 64 HB ILE 64 -18.487 2.844 -5.169 489 HG12 ILE 64 HG12 ILE 64 -20.348 1.266 -6.961 490 HG13 ILE 64 HG11 ILE 64 -18.721 0.808 -6.470 491 HG21 ILE 64 HG21 ILE 64 -20.814 3.050 -4.424 492 HG22 ILE 64 HG22 ILE 64 -21.294 3.500 -6.060 493 HG23 ILE 64 HG23 ILE 64 -20.229 4.556 -5.132 494 HD11 ILE 64 HD11 ILE 64 -21.079 1.102 -4.630 495 HD12 ILE 64 HD12 ILE 64 -19.452 0.599 -4.168 496 HD13 ILE 64 HD13 ILE 64 -20.422 -0.417 -5.237 497 H LEU 65 HN LEU 65 -17.283 4.668 -5.534 498 HA LEU 65 HA LEU 65 -18.528 7.214 -5.545 499 HB2 LEU 65 HB2 LEU 65 -16.307 5.932 -4.187 500 HB3 LEU 65 HB1 LEU 65 -15.914 7.584 -4.628 501 HG LEU 65 HG LEU 65 -17.899 8.383 -3.431 502 HD11 LEU 65 HD11 LEU 65 -18.279 5.483 -2.703 503 HD12 LEU 65 HD12 LEU 65 -19.352 6.466 -3.699 504 HD13 LEU 65 HD13 LEU 65 -19.154 6.836 -1.988 505 HD21 LEU 65 HD21 LEU 65 -15.773 8.240 -2.260 506 HD22 LEU 65 HD22 LEU 65 -16.139 6.581 -1.780 507 HD23 LEU 65 HD23 LEU 65 -17.121 7.914 -1.170 508 H GLY 66 HN GLY 66 -15.630 5.924 -7.101 509 HA2 GLY 66 HA2 GLY 66 -15.066 6.623 -9.331 510 HA3 GLY 66 HA1 GLY 66 -15.774 8.190 -8.973 511 H LYS 67 HN LYS 67 -13.603 6.504 -6.792 512 HA LYS 67 HA LYS 67 -11.488 8.408 -7.513 513 HB2 LYS 67 HB2 LYS 67 -10.901 8.451 -5.027 514 HB3 LYS 67 HB1 LYS 67 -12.310 9.366 -5.528 515 HG2 LYS 67 HG2 LYS 67 -13.785 7.690 -4.677 516 HG3 LYS 67 HG1 LYS 67 -12.431 6.610 -4.344 517 HD2 LYS 67 HD2 LYS 67 -13.068 7.598 -2.275 518 HD3 LYS 67 HD1 LYS 67 -11.551 8.349 -2.766 519 HE2 LYS 67 HE2 LYS 67 -14.082 9.661 -3.589 520 HE3 LYS 67 HE1 LYS 67 -13.618 9.769 -1.893 521 HZ1 LYS 67 HZ1 LYS 67 -12.802 11.644 -3.209 522 HZ2 LYS 67 HZ2 LYS 67 -11.911 10.589 -4.186 523 HZ3 LYS 67 HZ3 LYS 67 -11.526 10.752 -2.546 524 H SER 68 HN SER 68 -9.881 7.261 -8.304 525 HA SER 68 HA SER 68 -9.318 4.623 -7.136 526 HB2 SER 68 HB2 SER 68 -7.924 4.423 -9.344 527 HB3 SER 68 HB1 SER 68 -9.676 4.251 -9.406 528 HG SER 68 HG SER 68 -8.430 6.758 -9.785 529 H GLY 69 HN GLY 69 -8.395 7.534 -6.469 530 HA2 GLY 69 HA2 GLY 69 -5.634 7.725 -6.899 531 HA3 GLY 69 HA1 GLY 69 -6.512 8.505 -5.592 532 H GLU 70 HN GLU 70 -7.461 6.234 -4.286 533 HA GLU 70 HA GLU 70 -5.176 5.509 -2.739 534 HB2 GLU 70 HB2 GLU 70 -7.961 4.328 -2.668 535 HB3 GLU 70 HB1 GLU 70 -6.751 4.246 -1.393 536 HG2 GLU 70 HG2 GLU 70 -7.960 5.950 -0.560 537 HG3 GLU 70 HG1 GLU 70 -6.929 6.898 -1.625 538 H LEU 71 HN LEU 71 -7.000 4.009 -5.305 539 HA LEU 71 HA LEU 71 -5.998 1.368 -4.932 540 HB2 LEU 71 HB2 LEU 71 -7.893 2.639 -6.606 541 HB3 LEU 71 HB1 LEU 71 -6.736 1.850 -7.659 542 HG LEU 71 HG LEU 71 -8.429 0.540 -5.526 543 HD11 LEU 71 HD11 LEU 71 -9.621 1.028 -7.572 544 HD12 LEU 71 HD12 LEU 71 -9.328 -0.709 -7.446 545 HD13 LEU 71 HD13 LEU 71 -8.343 0.278 -8.527 546 HD21 LEU 71 HD21 LEU 71 -6.319 -0.563 -5.447 547 HD22 LEU 71 HD22 LEU 71 -6.193 -0.580 -7.207 548 HD23 LEU 71 HD23 LEU 71 -7.401 -1.580 -6.397 549 H LYS 72 HN LYS 72 -4.920 4.170 -6.742 550 HA LYS 72 HA LYS 72 -3.070 2.940 -8.440 551 HB2 LYS 72 HB2 LYS 72 -3.138 5.677 -7.187 552 HB3 LYS 72 HB1 LYS 72 -1.855 5.191 -8.283 553 HG2 LYS 72 HG2 LYS 72 -3.663 4.655 -9.963 554 HG3 LYS 72 HG1 LYS 72 -4.782 5.482 -8.877 555 HD2 LYS 72 HD2 LYS 72 -2.266 6.742 -9.953 556 HD3 LYS 72 HD1 LYS 72 -3.841 6.897 -10.728 557 HE2 LYS 72 HE2 LYS 72 -4.742 7.959 -8.742 558 HE3 LYS 72 HE1 LYS 72 -3.209 7.734 -7.899 559 HZ1 LYS 72 HZ1 LYS 72 -3.601 9.386 -10.337 560 HZ2 LYS 72 HZ2 LYS 72 -2.151 9.193 -9.492 561 HZ3 LYS 72 HZ3 LYS 72 -3.453 9.984 -8.761 562 H THR 73 HN THR 73 -2.635 4.254 -5.178 563 HA THR 73 HA THR 73 0.096 3.591 -4.945 564 HB THR 73 HB THR 73 -1.679 3.718 -2.541 565 HG1 THR 73 HG1 THR 73 -1.056 5.902 -4.289 566 HG21 THR 73 HG21 THR 73 0.980 4.971 -3.245 567 HG22 THR 73 HG22 THR 73 0.748 3.528 -2.257 568 HG23 THR 73 HG23 THR 73 0.166 5.093 -1.686 569 H TRP 74 HN TRP 74 -2.851 1.983 -3.758 570 HA TRP 74 HA TRP 74 -1.658 -0.165 -2.455 571 HB2 TRP 74 HB2 TRP 74 -3.999 0.330 -2.141 572 HB3 TRP 74 HB1 TRP 74 -4.335 0.028 -3.841 573 HD1 TRP 74 HD1 TRP 74 -5.397 -2.250 -4.263 574 HE1 TRP 74 HE1 TRP 74 -5.391 -4.552 -3.106 575 HE3 TRP 74 HE3 TRP 74 -2.173 -1.219 -0.429 576 HZ2 TRP 74 HZ2 TRP 74 -4.187 -5.762 -0.872 577 HZ3 TRP 74 HZ3 TRP 74 -1.645 -3.011 1.174 578 HH2 TRP 74 HH2 TRP 74 -2.631 -5.232 0.960 579 H GLY 75 HN GLY 75 -2.775 0.066 -5.827 580 HA2 GLY 75 HA2 GLY 75 -2.282 -2.569 -6.602 581 HA3 GLY 75 HA1 GLY 75 -2.246 -1.187 -7.682 582 H LEU 76 HN LEU 76 -0.009 0.044 -6.143 583 HA LEU 76 HA LEU 76 2.117 -1.417 -7.476 584 HB2 LEU 76 HB2 LEU 76 1.845 1.298 -6.265 585 HB3 LEU 76 HB1 LEU 76 3.450 0.612 -6.447 586 HG LEU 76 HG LEU 76 1.516 0.861 -8.742 587 HD11 LEU 76 HD11 LEU 76 2.105 3.073 -7.707 588 HD12 LEU 76 HD12 LEU 76 2.580 2.878 -9.393 589 HD13 LEU 76 HD13 LEU 76 3.784 2.731 -8.115 590 HD21 LEU 76 HD21 LEU 76 4.492 0.734 -8.922 591 HD22 LEU 76 HD22 LEU 76 3.274 0.251 -10.102 592 HD23 LEU 76 HD23 LEU 76 3.565 -0.746 -8.679 593 H VAL 77 HN VAL 77 1.248 -0.360 -4.216 594 HA VAL 77 HA VAL 77 3.491 -1.395 -2.876 595 HB VAL 77 HB VAL 77 0.664 -0.946 -1.896 596 HG11 VAL 77 HG11 VAL 77 1.715 -2.564 -0.441 597 HG12 VAL 77 HG12 VAL 77 1.627 -1.005 0.382 598 HG13 VAL 77 HG13 VAL 77 3.155 -1.556 -0.305 599 HG21 VAL 77 HG21 VAL 77 3.171 0.701 -1.576 600 HG22 VAL 77 HG22 VAL 77 1.588 1.084 -0.899 601 HG23 VAL 77 HG23 VAL 77 1.817 1.069 -2.648 602 H LEU 78 HN LEU 78 0.273 -2.776 -3.442 603 HA LEU 78 HA LEU 78 0.702 -5.254 -2.191 604 HB2 LEU 78 HB2 LEU 78 -1.521 -4.578 -2.676 605 HB3 LEU 78 HB1 LEU 78 -1.158 -4.335 -4.373 606 HG LEU 78 HG LEU 78 -0.765 -6.860 -4.484 607 HD11 LEU 78 HD11 LEU 78 -2.271 -6.711 -1.881 608 HD12 LEU 78 HD12 LEU 78 -0.611 -7.270 -2.097 609 HD13 LEU 78 HD13 LEU 78 -1.947 -8.178 -2.805 610 HD21 LEU 78 HD21 LEU 78 -2.701 -5.707 -5.446 611 HD22 LEU 78 HD22 LEU 78 -3.540 -5.840 -3.901 612 HD23 LEU 78 HD23 LEU 78 -3.129 -7.293 -4.810 613 H GLY 79 HN GLY 79 1.292 -4.134 -5.476 614 HA2 GLY 79 HA2 GLY 79 1.852 -6.590 -6.701 615 HA3 GLY 79 HA1 GLY 79 2.480 -5.030 -7.217 616 H ALA 80 HN ALA 80 3.995 -4.346 -4.987 617 HA ALA 80 HA ALA 80 6.353 -5.881 -5.475 618 HB1 ALA 80 HB1 ALA 80 5.865 -3.758 -3.387 619 HB2 ALA 80 HB2 ALA 80 6.414 -3.461 -5.036 620 HB3 ALA 80 HB3 ALA 80 7.436 -4.365 -3.916 621 H LEU 81 HN LEU 81 4.055 -5.614 -2.805 622 HA LEU 81 HA LEU 81 5.439 -7.142 -0.911 623 HB2 LEU 81 HB2 LEU 81 2.474 -6.772 -1.322 624 HB3 LEU 81 HB1 LEU 81 3.172 -7.557 0.079 625 HG LEU 81 HG LEU 81 3.548 -4.671 -0.720 626 HD11 LEU 81 HD11 LEU 81 2.311 -4.195 1.324 627 HD12 LEU 81 HD12 LEU 81 2.113 -5.921 1.619 628 HD13 LEU 81 HD13 LEU 81 1.345 -5.173 0.220 629 HD21 LEU 81 HD21 LEU 81 4.715 -6.271 1.549 630 HD22 LEU 81 HD22 LEU 81 4.701 -4.509 1.491 631 HD23 LEU 81 HD23 LEU 81 5.585 -5.424 0.270 632 H LYS 82 HN LYS 82 3.144 -8.104 -3.422 633 HA LYS 82 HA LYS 82 2.915 -10.808 -2.748 634 HB2 LYS 82 HB2 LYS 82 2.663 -9.347 -5.365 635 HB3 LYS 82 HB1 LYS 82 2.442 -11.085 -5.258 636 HG2 LYS 82 HG2 LYS 82 0.672 -10.649 -3.531 637 HG3 LYS 82 HG1 LYS 82 0.807 -8.937 -3.942 638 HD2 LYS 82 HD2 LYS 82 0.230 -9.433 -6.259 639 HD3 LYS 82 HD1 LYS 82 0.139 -11.153 -5.877 640 HE2 LYS 82 HE2 LYS 82 -1.673 -10.642 -4.259 641 HE3 LYS 82 HE1 LYS 82 -1.626 -8.964 -4.793 642 HZ1 LYS 82 HZ1 LYS 82 -2.200 -11.289 -6.551 643 HZ2 LYS 82 HZ2 LYS 82 -2.235 -9.660 -7.001 644 HZ3 LYS 82 HZ3 LYS 82 -3.369 -10.255 -5.897 645 H ALA 83 HN ALA 83 5.087 -9.236 -5.075 646 HA ALA 83 HA ALA 83 6.469 -11.551 -5.860 647 HB1 ALA 83 HB1 ALA 83 7.479 -8.714 -5.872 648 HB2 ALA 83 HB2 ALA 83 6.462 -9.436 -7.118 649 HB3 ALA 83 HB3 ALA 83 8.087 -10.058 -6.837 650 H ALA 84 HN ALA 84 7.122 -9.198 -3.306 651 HA ALA 84 HA ALA 84 9.672 -10.083 -2.577 652 HB1 ALA 84 HB1 ALA 84 9.289 -8.953 -0.455 653 HB2 ALA 84 HB2 ALA 84 7.561 -8.866 -0.799 654 HB3 ALA 84 HB3 ALA 84 8.707 -7.974 -1.803 655 H ARG 85 HN ARG 85 6.505 -11.341 -1.752 656 HA ARG 85 HA ARG 85 7.740 -13.245 0.096 657 HB2 ARG 85 HB2 ARG 85 4.989 -12.179 -0.261 658 HB3 ARG 85 HB1 ARG 85 5.151 -13.813 0.366 659 HG2 ARG 85 HG2 ARG 85 6.690 -12.884 2.117 660 HG3 ARG 85 HG1 ARG 85 6.234 -11.277 1.556 661 HD2 ARG 85 HD2 ARG 85 3.992 -11.575 2.205 662 HD3 ARG 85 HD1 ARG 85 4.198 -13.316 2.392 663 HE ARG 85 HE ARG 85 5.608 -11.429 4.155 664 HH11 ARG 85 HH11 ARG 85 3.323 -14.489 5.410 665 HH12 ARG 85 HH12 ARG 85 3.407 -14.122 3.715 666 HH21 ARG 85 HH21 ARG 85 5.508 -11.914 6.369 667 HH22 ARG 85 HH22 ARG 85 4.519 -13.231 6.918 668 H GLU 86 HN GLU 86 7.326 -13.175 -3.088 669 HA GLU 86 HA GLU 86 6.104 -15.782 -3.429 670 HB2 GLU 86 HB2 GLU 86 7.001 -13.604 -5.224 671 HB3 GLU 86 HB1 GLU 86 7.063 -15.231 -5.882 672 HG2 GLU 86 HG2 GLU 86 4.643 -15.448 -5.098 673 HG3 GLU 86 HG1 GLU 86 4.680 -13.694 -4.914 674 H GLU 87 HN GLU 87 9.265 -14.419 -3.141 675 HA GLU 87 HA GLU 87 10.490 -16.919 -4.040 676 HB2 GLU 87 HB2 GLU 87 11.471 -14.124 -3.677 677 HB3 GLU 87 HB1 GLU 87 12.627 -15.442 -3.553 678 HG2 GLU 87 HG2 GLU 87 11.687 -16.200 -5.819 679 HG3 GLU 87 HG1 GLU 87 11.007 -14.574 -5.911 680 H1 IHP 101 H37 IHP 0 14.543 10.251 1.777 681 H2 IHP 101 H38 IHP 0 12.845 10.711 3.528 682 H3 IHP 101 H39 IHP 0 12.804 12.012 1.430 683 H4 IHP 101 H40 IHP 0 10.807 9.869 0.518 684 H5 IHP 101 H41 IHP 0 13.593 10.627 -0.503 685 H6 IHP 101 H42 IHP 0 12.561 8.104 0.864
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