NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
615225 | 5gwg | 36019 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LEU 1 HN LEU 1 -11.101 7.279 -0.208 2 HA LEU 1 HA LEU 1 -11.304 7.608 2.172 3 HB2 LEU 1 HB2 LEU 1 -13.843 7.077 1.837 4 HB3 LEU 1 HB1 LEU 1 -13.370 5.427 2.232 5 HG LEU 1 HG LEU 1 -12.252 6.328 4.312 6 HD11 LEU 1 HD11 LEU 1 -13.065 8.837 3.080 7 HD12 LEU 1 HD12 LEU 1 -13.745 8.677 4.698 8 HD13 LEU 1 HD13 LEU 1 -12.003 8.565 4.460 9 HD21 LEU 1 HD21 LEU 1 -15.233 6.670 3.902 10 HD22 LEU 1 HD22 LEU 1 -14.391 5.252 4.527 11 HD23 LEU 1 HD23 LEU 1 -14.465 6.728 5.489 12 H ARG 2 HN ARG 2 -10.900 4.925 0.162 13 HA ARG 2 HA ARG 2 -8.962 3.768 2.009 14 HB2 ARG 2 HB2 ARG 2 -9.881 1.489 1.740 15 HB3 ARG 2 HB1 ARG 2 -11.018 2.556 2.563 16 HG2 ARG 2 HG2 ARG 2 -12.227 2.920 0.447 17 HG3 ARG 2 HG1 ARG 2 -11.081 1.878 -0.397 18 HD2 ARG 2 HD2 ARG 2 -12.775 0.972 1.942 19 HD3 ARG 2 HD1 ARG 2 -13.215 0.722 0.256 20 HE ARG 2 HE ARG 2 -10.645 -0.300 0.551 21 HH11 ARG 2 HH11 ARG 2 -13.804 -0.802 1.868 22 HH12 ARG 2 HH12 ARG 2 -13.565 -2.492 2.163 23 HH21 ARG 2 HH21 ARG 2 -10.326 -2.519 0.925 24 HH22 ARG 2 HH22 ARG 2 -11.595 -3.464 1.628 25 H VAL 3 HN VAL 3 -7.551 2.197 0.942 26 HA VAL 3 HA VAL 3 -7.553 2.447 -2.004 27 HB VAL 3 HB VAL 3 -5.086 2.493 -0.253 28 HG11 VAL 3 HG11 VAL 3 -5.298 1.746 -2.856 29 HG12 VAL 3 HG12 VAL 3 -5.080 3.478 -3.041 30 HG13 VAL 3 HG13 VAL 3 -3.870 2.526 -2.181 31 HG21 VAL 3 HG21 VAL 3 -6.891 4.656 -1.100 32 HG22 VAL 3 HG22 VAL 3 -5.651 4.651 0.157 33 HG23 VAL 3 HG23 VAL 3 -5.200 4.933 -1.524 34 H ARG 4 HN ARG 4 -7.415 0.543 -3.022 35 HA ARG 4 HA ARG 4 -5.872 -1.667 -2.105 36 HB2 ARG 4 HB2 ARG 4 -7.850 -1.784 -0.545 37 HB3 ARG 4 HB1 ARG 4 -8.856 -2.081 -1.962 38 HG2 ARG 4 HG2 ARG 4 -7.562 -4.078 -2.511 39 HG3 ARG 4 HG1 ARG 4 -6.466 -3.764 -1.165 40 HD2 ARG 4 HD2 ARG 4 -9.441 -4.271 -0.894 41 HD3 ARG 4 HD1 ARG 4 -8.184 -5.467 -0.594 42 HE ARG 4 HE ARG 4 -7.553 -3.277 0.993 43 HH11 ARG 4 HH11 ARG 4 -10.176 -5.491 0.565 44 HH12 ARG 4 HH12 ARG 4 -10.680 -5.430 2.221 45 HH21 ARG 4 HH21 ARG 4 -8.205 -3.191 3.166 46 HH22 ARG 4 HH22 ARG 4 -9.563 -4.127 3.695 47 H ARG 5 HN ARG 5 -5.636 -3.211 -3.702 48 HA ARG 5 HA ARG 5 -7.286 -3.837 -5.814 49 HB2 ARG 5 HB2 ARG 5 -6.120 -1.197 -6.163 50 HB3 ARG 5 HB1 ARG 5 -5.613 -2.281 -7.438 51 HG2 ARG 5 HG2 ARG 5 -8.519 -2.046 -6.619 52 HG3 ARG 5 HG1 ARG 5 -7.803 -1.016 -7.856 53 HD2 ARG 5 HD2 ARG 5 -7.645 -2.724 -9.372 54 HD3 ARG 5 HD1 ARG 5 -7.315 -3.933 -8.138 55 HE ARG 5 HE ARG 5 -9.997 -3.005 -7.925 56 HH11 ARG 5 HH11 ARG 5 -7.870 -4.944 -9.844 57 HH12 ARG 5 HH12 ARG 5 -9.118 -6.005 -10.406 58 HH21 ARG 5 HH21 ARG 5 -11.643 -4.400 -8.657 59 HH22 ARG 5 HH22 ARG 5 -11.251 -5.697 -9.735 60 H THR 6 HN THR 6 -5.568 -4.098 -7.983 61 HA THR 6 HA THR 6 -3.144 -5.401 -6.972 62 HB THR 6 HB THR 6 -3.649 -7.391 -8.341 63 HG1 THR 6 HG1 THR 6 -5.553 -5.833 -9.257 64 HG21 THR 6 HG21 THR 6 -4.380 -6.984 -5.825 65 HG22 THR 6 HG22 THR 6 -6.000 -7.068 -6.512 66 HG23 THR 6 HG23 THR 6 -4.900 -8.436 -6.681 67 H LEU 7 HN LEU 7 -2.368 -3.383 -8.057 68 HA LEU 7 HA LEU 7 -1.677 -4.002 -10.821 69 HB2 LEU 7 HB2 LEU 7 -2.230 -1.435 -11.276 70 HB3 LEU 7 HB1 LEU 7 -3.408 -2.727 -11.504 71 HG LEU 7 HG LEU 7 -3.423 -1.836 -8.733 72 HD11 LEU 7 HD11 LEU 7 -3.773 0.275 -10.852 73 HD12 LEU 7 HD12 LEU 7 -4.372 0.413 -9.197 74 HD13 LEU 7 HD13 LEU 7 -2.648 0.285 -9.494 75 HD21 LEU 7 HD21 LEU 7 -5.331 -2.967 -9.649 76 HD22 LEU 7 HD22 LEU 7 -5.821 -1.289 -9.441 77 HD23 LEU 7 HD23 LEU 7 -5.403 -1.877 -11.034 78 H GLN 8 HN GLN 8 -1.478 -0.782 -9.665 79 HA GLN 8 HA GLN 8 1.425 -1.037 -9.303 80 HB2 GLN 8 HB2 GLN 8 -0.033 0.656 -11.044 81 HB3 GLN 8 HB1 GLN 8 0.548 1.676 -9.730 82 HG2 GLN 8 HG2 GLN 8 2.828 0.822 -10.066 83 HG3 GLN 8 HG1 GLN 8 2.253 -0.200 -11.382 84 HE21 GLN 8 HE21 GLN 8 3.979 2.509 -11.053 85 HE22 GLN 8 HE22 GLN 8 3.409 3.421 -12.367 86 H CYS 9 HN CYS 9 2.059 -0.725 -7.353 87 HA CYS 9 HA CYS 9 0.318 0.702 -5.454 88 HB2 CYS 9 HB2 CYS 9 0.431 -1.574 -4.884 89 HB3 CYS 9 HB1 CYS 9 2.164 -1.650 -5.177 90 H SER 10 HN SER 10 1.046 2.586 -4.872 91 HA SER 10 HA SER 10 3.954 2.988 -4.529 92 HB2 SER 10 HB2 SER 10 1.907 4.974 -5.542 93 HB3 SER 10 HB1 SER 10 3.592 5.345 -5.192 94 HG SER 10 HG SER 10 3.167 3.153 -6.815 95 H CYS 11 HN CYS 11 4.576 4.158 -2.698 96 HA CYS 11 HA CYS 11 2.401 4.878 -0.845 97 HB2 CYS 11 HB2 CYS 11 4.992 3.704 0.115 98 HB3 CYS 11 HB1 CYS 11 3.444 3.780 0.953 99 H ARG 12 HN ARG 12 2.881 6.568 0.677 100 HA ARG 12 HA ARG 12 5.382 8.054 0.145 101 HB2 ARG 12 HB2 ARG 12 4.217 9.487 -1.121 102 HB3 ARG 12 HB1 ARG 12 2.655 8.932 -0.520 103 HG2 ARG 12 HG2 ARG 12 2.856 10.303 1.449 104 HG3 ARG 12 HG1 ARG 12 4.534 10.689 1.077 105 HD2 ARG 12 HD2 ARG 12 2.219 11.419 -0.715 106 HD3 ARG 12 HD1 ARG 12 2.887 12.504 0.499 107 HE ARG 12 HE ARG 12 5.013 11.621 -1.102 108 HH11 ARG 12 HH11 ARG 12 2.089 13.456 -1.320 109 HH12 ARG 12 HH12 ARG 12 2.657 14.473 -2.602 110 HH21 ARG 12 HH21 ARG 12 5.765 12.950 -2.793 111 HH22 ARG 12 HH22 ARG 12 4.735 14.186 -3.435 112 H ARG 13 HN ARG 13 6.218 9.140 1.842 113 HA ARG 13 HA ARG 13 5.654 8.331 4.443 114 HB2 ARG 13 HB2 ARG 13 7.744 9.389 3.822 115 HB3 ARG 13 HB1 ARG 13 6.888 10.912 3.643 116 HG2 ARG 13 HG2 ARG 13 6.460 11.110 5.933 117 HG3 ARG 13 HG1 ARG 13 6.667 9.382 6.215 118 HD2 ARG 13 HD2 ARG 13 9.024 9.526 5.899 119 HD3 ARG 13 HD1 ARG 13 8.920 11.195 5.342 120 HE ARG 13 HE ARG 13 8.717 11.870 7.569 121 HH11 ARG 13 HH11 ARG 13 8.384 8.444 7.234 122 HH12 ARG 13 HH12 ARG 13 8.479 8.129 8.934 123 HH21 ARG 13 HH21 ARG 13 8.868 11.467 9.796 124 HH22 ARG 13 HH22 ARG 13 8.753 9.843 10.386 125 H VAL 14 HN VAL 14 4.496 9.034 6.026 126 HA VAL 14 HA VAL 14 3.165 11.498 6.317 127 HB VAL 14 HB VAL 14 1.902 10.658 4.355 128 HG11 VAL 14 HG11 VAL 14 2.023 8.208 5.802 129 HG12 VAL 14 HG12 VAL 14 0.325 8.659 5.635 130 HG13 VAL 14 HG13 VAL 14 1.344 8.510 4.210 131 HG21 VAL 14 HG21 VAL 14 0.062 11.672 5.156 132 HG22 VAL 14 HG22 VAL 14 -0.209 10.375 6.319 133 HG23 VAL 14 HG23 VAL 14 0.873 11.710 6.722 134 H CYS 15 HN CYS 15 4.358 10.576 8.327 135 HA CYS 15 HA CYS 15 4.199 9.883 10.508 136 HB2 CYS 15 HB2 CYS 15 2.102 10.933 10.869 137 HB3 CYS 15 HB1 CYS 15 1.253 9.808 9.848 138 H ARG 16 HN ARG 16 3.376 7.985 7.908 139 HA ARG 16 HA ARG 16 4.477 5.624 8.903 140 HB2 ARG 16 HB2 ARG 16 1.922 6.066 9.975 141 HB3 ARG 16 HB1 ARG 16 1.674 4.929 8.645 142 HG2 ARG 16 HG2 ARG 16 2.176 3.510 10.486 143 HG3 ARG 16 HG1 ARG 16 3.709 3.630 9.637 144 HD2 ARG 16 HD2 ARG 16 4.521 5.272 11.211 145 HD3 ARG 16 HD1 ARG 16 2.936 5.410 11.965 146 HE ARG 16 HE ARG 16 3.756 2.734 12.165 147 HH11 ARG 16 HH11 ARG 16 4.650 5.901 13.256 148 HH12 ARG 16 HH12 ARG 16 5.350 5.340 14.738 149 HH21 ARG 16 HH21 ARG 16 4.678 2.002 14.101 150 HH22 ARG 16 HH22 ARG 16 5.365 3.137 15.214 151 H ASN 17 HN ASN 17 4.214 7.199 6.507 152 HA ASN 17 HA ASN 17 4.116 6.824 4.259 153 HB2 ASN 17 HB2 ASN 17 5.046 4.543 5.164 154 HB3 ASN 17 HB1 ASN 17 3.486 3.974 4.596 155 HD21 ASN 17 HD21 ASN 17 5.970 3.219 3.284 156 HD22 ASN 17 HD22 ASN 17 5.961 3.910 1.734 157 H THR 18 HN THR 18 2.606 6.532 2.605 158 HA THR 18 HA THR 18 -0.184 6.223 3.484 159 HB THR 18 HB THR 18 -0.096 7.438 0.907 160 HG1 THR 18 HG1 THR 18 1.844 8.315 1.179 161 HG21 THR 18 HG21 THR 18 -1.926 7.815 2.368 162 HG22 THR 18 HG22 THR 18 -0.886 8.433 3.649 163 HG23 THR 18 HG23 THR 18 -1.125 9.373 2.179 164 H CYS 19 HN CYS 19 -1.620 5.244 1.933 165 HA CYS 19 HA CYS 19 -0.213 3.306 0.205 166 HB2 CYS 19 HB2 CYS 19 -1.465 2.507 2.255 167 HB3 CYS 19 HB1 CYS 19 -2.939 3.041 1.469 168 H SER 20 HN SER 20 -0.431 3.755 -1.882 169 HA SER 20 HA SER 20 -3.080 4.603 -2.855 170 HB2 SER 20 HB2 SER 20 -0.415 5.737 -3.721 171 HB3 SER 20 HB1 SER 20 -1.960 6.076 -4.496 172 HG SER 20 HG SER 20 -2.622 7.158 -2.727 173 H CYS 21 HN CYS 21 -3.820 3.120 -4.268 174 HA CYS 21 HA CYS 21 -1.847 1.670 -5.925 175 HB2 CYS 21 HB2 CYS 21 -4.560 0.530 -5.401 176 HB3 CYS 21 HB1 CYS 21 -3.065 -0.309 -5.794 177 H ILE 22 HN ILE 22 -1.963 2.245 -8.010 178 HA ILE 22 HA ILE 22 -4.544 2.670 -9.293 179 HB ILE 22 HB ILE 22 -3.478 4.965 -10.154 180 HG12 ILE 22 HG12 ILE 22 -2.440 6.176 -8.295 181 HG13 ILE 22 HG11 ILE 22 -2.515 4.728 -7.294 182 HG21 ILE 22 HG21 ILE 22 -4.921 4.842 -7.494 183 HG22 ILE 22 HG22 ILE 22 -4.967 6.140 -8.677 184 HG23 ILE 22 HG23 ILE 22 -5.733 4.598 -9.041 185 HD11 ILE 22 HD11 ILE 22 -0.301 5.301 -8.595 186 HD12 ILE 22 HD12 ILE 22 -0.863 3.632 -8.528 187 HD13 ILE 22 HD13 ILE 22 -1.156 4.603 -9.969 188 H ARG 23 HN ARG 23 -4.389 2.849 -11.587 189 HA ARG 23 HA ARG 23 -2.277 1.319 -12.701 190 HB2 ARG 23 HB2 ARG 23 -4.504 2.902 -13.970 191 HB3 ARG 23 HB1 ARG 23 -3.345 1.954 -14.904 192 HG2 ARG 23 HG2 ARG 23 -3.983 -0.073 -13.670 193 HG3 ARG 23 HG1 ARG 23 -5.123 0.862 -12.702 194 HD2 ARG 23 HD2 ARG 23 -6.385 1.443 -14.730 195 HD3 ARG 23 HD1 ARG 23 -5.237 0.540 -15.714 196 HE ARG 23 HE ARG 23 -6.251 -1.181 -13.728 197 HH11 ARG 23 HH11 ARG 23 -7.249 0.586 -16.526 198 HH12 ARG 23 HH12 ARG 23 -8.499 -0.533 -16.959 199 HH21 ARG 23 HH21 ARG 23 -7.884 -2.658 -14.288 200 HH22 ARG 23 HH22 ARG 23 -8.858 -2.371 -15.691 201 H LEU 24 HN LEU 24 -2.995 4.710 -12.586 202 HA LEU 24 HA LEU 24 -0.442 5.302 -13.963 203 HB2 LEU 24 HB2 LEU 24 -2.876 7.072 -13.629 204 HB3 LEU 24 HB1 LEU 24 -1.399 7.501 -14.491 205 HG LEU 24 HG LEU 24 -3.220 5.180 -15.201 206 HD11 LEU 24 HD11 LEU 24 -4.470 6.766 -16.203 207 HD12 LEU 24 HD12 LEU 24 -3.274 8.016 -15.863 208 HD13 LEU 24 HD13 LEU 24 -3.116 7.014 -17.306 209 HD21 LEU 24 HD21 LEU 24 -1.189 4.507 -16.082 210 HD22 LEU 24 HD22 LEU 24 -1.726 5.560 -17.390 211 HD23 LEU 24 HD23 LEU 24 -0.571 6.155 -16.198 212 H SER 25 HN SER 25 1.098 6.487 -12.963 213 HA SER 25 HA SER 25 0.957 6.814 -10.125 214 HB2 SER 25 HB2 SER 25 3.002 7.788 -12.131 215 HB3 SER 25 HB1 SER 25 3.201 7.843 -10.382 216 HG SER 25 HG SER 25 3.379 5.702 -10.322 217 H ARG 26 HN ARG 26 -1.138 8.254 -11.300 218 HA ARG 26 HA ARG 26 -0.462 11.045 -11.482 219 HB2 ARG 26 HB2 ARG 26 -2.845 11.411 -11.695 220 HB3 ARG 26 HB1 ARG 26 -2.402 10.013 -12.673 221 HG2 ARG 26 HG2 ARG 26 -3.083 8.536 -10.757 222 HG3 ARG 26 HG1 ARG 26 -3.679 9.971 -9.922 223 HD2 ARG 26 HD2 ARG 26 -5.185 10.441 -11.832 224 HD3 ARG 26 HD1 ARG 26 -4.619 8.974 -12.624 225 HE ARG 26 HE ARG 26 -6.462 9.133 -10.389 226 HH11 ARG 26 HH11 ARG 26 -4.202 7.228 -12.186 227 HH12 ARG 26 HH12 ARG 26 -4.877 5.711 -11.693 228 HH21 ARG 26 HH21 ARG 26 -7.354 7.149 -9.737 229 HH22 ARG 26 HH22 ARG 26 -6.662 5.666 -10.305 230 H SER 27 HN SER 27 -1.451 12.685 -10.027 231 HA SER 27 HA SER 27 -0.741 12.162 -7.314 232 HB2 SER 27 HB2 SER 27 -2.238 14.476 -8.563 233 HB3 SER 27 HB1 SER 27 -1.658 14.440 -6.901 234 HG SER 27 HG SER 27 0.030 13.960 -9.122 235 H THR 28 HN THR 28 -1.972 10.575 -6.377 236 HA THR 28 HA THR 28 -4.778 10.312 -6.651 237 HB THR 28 HB THR 28 -2.955 9.341 -4.436 238 HG1 THR 28 HG1 THR 28 -4.005 7.916 -6.635 239 HG21 THR 28 HG21 THR 28 -4.797 7.638 -4.148 240 HG22 THR 28 HG22 THR 28 -5.247 9.278 -3.680 241 HG23 THR 28 HG23 THR 28 -5.789 8.622 -5.224 242 H TYR 29 HN TYR 29 -2.757 11.863 -4.174 243 HA TYR 29 HA TYR 29 -5.010 13.573 -3.439 244 HB2 TYR 29 HB2 TYR 29 -4.821 13.089 -1.058 245 HB3 TYR 29 HB1 TYR 29 -5.187 11.603 -1.934 246 HD1 TYR 29 HD1 TYR 29 -2.601 13.468 -0.089 247 HD2 TYR 29 HD2 TYR 29 -3.508 9.863 -2.225 248 HE1 TYR 29 HE1 TYR 29 -0.541 12.422 0.810 249 HE2 TYR 29 HE2 TYR 29 -1.449 8.810 -1.329 250 HH TYR 29 HH TYR 29 0.618 10.521 1.006 251 H ALA 30 HN ALA 30 -4.351 15.382 -2.093 252 HA ALA 30 HA ALA 30 -1.541 16.119 -2.598 253 HB1 ALA 30 HB1 ALA 30 -3.776 17.489 -3.256 254 HB2 ALA 30 HB2 ALA 30 -3.458 18.169 -1.660 255 HB3 ALA 30 HB3 ALA 30 -2.228 18.264 -2.920 256 H SER 31 HN SER 31 -3.779 15.373 -0.101 257 HA SER 31 HA SER 31 -2.263 16.731 1.984 258 HB2 SER 31 HB2 SER 31 -4.855 16.312 1.863 259 HB3 SER 31 HB1 SER 31 -4.433 14.741 2.538 260 HG SER 31 HG SER 31 -4.659 16.000 4.289 261 H LEU 41 HN LEU 41 6.567 -10.676 -1.084 262 HA LEU 41 HA LEU 41 7.664 -10.109 0.870 263 HB2 LEU 41 HB2 LEU 41 9.927 -9.461 -1.036 264 HB3 LEU 41 HB1 LEU 41 10.073 -9.842 0.680 265 HG LEU 41 HG LEU 41 8.985 -11.712 -1.447 266 HD11 LEU 41 HD11 LEU 41 11.306 -11.667 -1.798 267 HD12 LEU 41 HD12 LEU 41 11.656 -11.430 -0.086 268 HD13 LEU 41 HD13 LEU 41 11.112 -13.004 -0.665 269 HD21 LEU 41 HD21 LEU 41 7.918 -12.412 0.501 270 HD22 LEU 41 HD22 LEU 41 9.423 -13.324 0.606 271 HD23 LEU 41 HD23 LEU 41 9.222 -11.844 1.543 272 H ARG 42 HN ARG 42 7.609 -8.372 2.176 273 HA ARG 42 HA ARG 42 7.319 -6.179 2.832 274 HB2 ARG 42 HB2 ARG 42 9.265 -5.450 0.654 275 HB3 ARG 42 HB1 ARG 42 9.063 -4.712 2.241 276 HG2 ARG 42 HG2 ARG 42 10.197 -7.458 1.644 277 HG3 ARG 42 HG1 ARG 42 11.070 -6.069 2.289 278 HD2 ARG 42 HD2 ARG 42 8.888 -7.661 3.659 279 HD3 ARG 42 HD1 ARG 42 10.574 -7.516 4.142 280 HE ARG 42 HE ARG 42 9.541 -4.930 4.099 281 HH11 ARG 42 HH11 ARG 42 9.010 -7.934 5.731 282 HH12 ARG 42 HH12 ARG 42 8.438 -7.198 7.190 283 HH21 ARG 42 HH21 ARG 42 8.779 -3.958 6.002 284 HH22 ARG 42 HH22 ARG 42 8.307 -4.946 7.344 285 H VAL 43 HN VAL 43 7.442 -3.784 1.447 286 HA VAL 43 HA VAL 43 4.950 -3.886 -0.018 287 HB VAL 43 HB VAL 43 6.696 -1.670 1.032 288 HG11 VAL 43 HG11 VAL 43 4.893 -0.173 -0.059 289 HG12 VAL 43 HG12 VAL 43 6.176 -0.779 -1.102 290 HG13 VAL 43 HG13 VAL 43 4.584 -1.541 -1.123 291 HG21 VAL 43 HG21 VAL 43 4.956 -1.323 2.485 292 HG22 VAL 43 HG22 VAL 43 3.744 -1.716 1.268 293 HG23 VAL 43 HG23 VAL 43 4.597 -3.010 2.112 294 H ARG 44 HN ARG 44 4.952 -4.440 -2.059 295 HA ARG 44 HA ARG 44 6.950 -3.252 -3.874 296 HB2 ARG 44 HB2 ARG 44 6.037 -6.136 -3.900 297 HB3 ARG 44 HB1 ARG 44 7.015 -5.373 -5.152 298 HG2 ARG 44 HG2 ARG 44 8.779 -4.897 -3.528 299 HG3 ARG 44 HG1 ARG 44 7.795 -5.583 -2.234 300 HD2 ARG 44 HD2 ARG 44 9.385 -7.268 -2.968 301 HD3 ARG 44 HD1 ARG 44 7.770 -7.757 -3.473 302 HE ARG 44 HE ARG 44 9.039 -6.258 -5.535 303 HH11 ARG 44 HH11 ARG 44 9.043 -9.321 -3.922 304 HH12 ARG 44 HH12 ARG 44 9.634 -10.198 -5.294 305 HH21 ARG 44 HH21 ARG 44 9.815 -7.402 -7.338 306 HH22 ARG 44 HH22 ARG 44 10.071 -9.112 -7.228 307 H ARG 45 HN ARG 45 6.227 -3.659 -6.224 308 HA ARG 45 HA ARG 45 3.307 -3.209 -6.413 309 HB2 ARG 45 HB2 ARG 45 5.143 -2.176 -8.477 310 HB3 ARG 45 HB1 ARG 45 3.613 -1.529 -7.916 311 HG2 ARG 45 HG2 ARG 45 5.058 0.007 -6.946 312 HG3 ARG 45 HG1 ARG 45 4.973 -1.189 -5.651 313 HD2 ARG 45 HD2 ARG 45 7.270 -0.988 -5.844 314 HD3 ARG 45 HD1 ARG 45 6.991 -2.276 -7.010 315 HE ARG 45 HE ARG 45 6.786 0.251 -8.288 316 HH11 ARG 45 HH11 ARG 45 9.049 -1.972 -6.890 317 HH12 ARG 45 HH12 ARG 45 10.366 -1.474 -7.899 318 HH21 ARG 45 HH21 ARG 45 8.513 0.901 -9.611 319 HH22 ARG 45 HH22 ARG 45 10.063 0.149 -9.437 320 H THR 46 HN THR 46 2.344 -3.772 -8.436 321 HA THR 46 HA THR 46 2.058 -4.939 -10.389 322 HB THR 46 HB THR 46 3.764 -6.058 -11.445 323 HG1 THR 46 HG1 THR 46 4.798 -6.330 -8.896 324 HG21 THR 46 HG21 THR 46 5.032 -4.249 -11.885 325 HG22 THR 46 HG22 THR 46 4.143 -3.460 -10.584 326 HG23 THR 46 HG23 THR 46 5.695 -4.233 -10.253 327 H LEU 47 HN LEU 47 1.741 -5.677 -7.542 328 HA LEU 47 HA LEU 47 1.081 -8.511 -8.011 329 HB2 LEU 47 HB2 LEU 47 1.783 -8.793 -5.503 330 HB3 LEU 47 HB1 LEU 47 2.996 -8.825 -6.777 331 HG LEU 47 HG LEU 47 2.427 -6.090 -5.821 332 HD11 LEU 47 HD11 LEU 47 3.421 -8.230 -3.961 333 HD12 LEU 47 HD12 LEU 47 3.750 -6.527 -3.697 334 HD13 LEU 47 HD13 LEU 47 2.091 -7.093 -3.712 335 HD21 LEU 47 HD21 LEU 47 4.792 -5.914 -5.985 336 HD22 LEU 47 HD22 LEU 47 5.022 -7.648 -5.766 337 HD23 LEU 47 HD23 LEU 47 4.359 -7.032 -7.278 338 H GLN 48 HN GLN 48 0.734 -7.535 -4.778 339 HA GLN 48 HA GLN 48 -2.133 -6.971 -5.182 340 HB2 GLN 48 HB2 GLN 48 -1.191 -9.221 -3.963 341 HB3 GLN 48 HB1 GLN 48 -1.300 -8.116 -2.593 342 HG2 GLN 48 HG2 GLN 48 -3.538 -8.716 -4.534 343 HG3 GLN 48 HG1 GLN 48 -3.401 -9.360 -2.902 344 HE21 GLN 48 HE21 GLN 48 -2.513 -7.010 -1.532 345 HE22 GLN 48 HE22 GLN 48 -3.759 -5.858 -1.585 346 H CYS 49 HN CYS 49 -2.911 -5.252 -4.154 347 HA CYS 49 HA CYS 49 -1.036 -3.695 -2.504 348 HB2 CYS 49 HB2 CYS 49 -1.735 -2.931 -4.833 349 HB3 CYS 49 HB1 CYS 49 -3.315 -2.612 -4.104 350 H SER 50 HN SER 50 -1.575 -3.618 -0.452 351 HA SER 50 HA SER 50 -4.417 -3.363 0.252 352 HB2 SER 50 HB2 SER 50 -2.375 -5.111 1.651 353 HB3 SER 50 HB1 SER 50 -4.017 -4.821 2.218 354 HG SER 50 HG SER 50 -4.615 -6.328 0.897 355 H CYS 51 HN CYS 51 -4.808 -2.248 2.275 356 HA CYS 51 HA CYS 51 -2.504 -0.773 3.368 357 HB2 CYS 51 HB2 CYS 51 -5.075 0.655 2.831 358 HB3 CYS 51 HB1 CYS 51 -3.441 1.311 2.966 359 H ARG 52 HN ARG 52 -2.989 0.242 5.485 360 HA ARG 52 HA ARG 52 -5.465 -0.646 6.819 361 HB2 ARG 52 HB2 ARG 52 -4.278 -1.773 8.662 362 HB3 ARG 52 HB1 ARG 52 -3.997 -2.593 7.124 363 HG2 ARG 52 HG2 ARG 52 -1.870 -1.285 6.892 364 HG3 ARG 52 HG1 ARG 52 -2.140 -0.654 8.514 365 HD2 ARG 52 HD2 ARG 52 -1.993 -3.606 7.889 366 HD3 ARG 52 HD1 ARG 52 -0.606 -2.655 8.414 367 HE ARG 52 HE ARG 52 -2.874 -3.465 10.051 368 HH11 ARG 52 HH11 ARG 52 -0.136 -1.390 9.615 369 HH12 ARG 52 HH12 ARG 52 0.035 -1.033 11.302 370 HH21 ARG 52 HH21 ARG 52 -2.661 -2.992 12.261 371 HH22 ARG 52 HH22 ARG 52 -1.395 -1.940 12.799 372 H ARG 53 HN ARG 53 -5.922 0.456 8.764 373 HA ARG 53 HA ARG 53 -4.970 3.094 8.940 374 HB2 ARG 53 HB2 ARG 53 -7.175 2.453 9.741 375 HB3 ARG 53 HB1 ARG 53 -6.418 1.500 11.002 376 HG2 ARG 53 HG2 ARG 53 -5.424 4.219 10.922 377 HG3 ARG 53 HG1 ARG 53 -7.146 4.130 11.262 378 HD2 ARG 53 HD2 ARG 53 -5.042 2.499 12.704 379 HD3 ARG 53 HD1 ARG 53 -5.745 3.980 13.302 380 HE ARG 53 HE ARG 53 -7.047 1.396 13.168 381 HH11 ARG 53 HH11 ARG 53 -7.320 4.828 13.518 382 HH12 ARG 53 HH12 ARG 53 -8.853 4.763 14.319 383 HH21 ARG 53 HH21 ARG 53 -9.050 1.300 14.228 384 HH22 ARG 53 HH22 ARG 53 -9.833 2.764 14.722 385 H VAL 54 HN VAL 54 -3.671 4.086 10.330 386 HA VAL 54 HA VAL 54 -2.359 2.974 12.564 387 HB VAL 54 HB VAL 54 -1.330 1.613 10.749 388 HG11 VAL 54 HG11 VAL 54 -0.234 4.276 9.799 389 HG12 VAL 54 HG12 VAL 54 0.386 2.711 9.311 390 HG13 VAL 54 HG13 VAL 54 -1.270 3.163 8.926 391 HG21 VAL 54 HG21 VAL 54 -0.189 2.046 12.908 392 HG22 VAL 54 HG22 VAL 54 0.934 1.786 11.577 393 HG23 VAL 54 HG23 VAL 54 0.638 3.414 12.178 394 H CYS 55 HN CYS 55 -3.589 5.385 12.225 395 HA CYS 55 HA CYS 55 -3.131 7.532 13.027 396 HB2 CYS 55 HB2 CYS 55 -1.002 8.357 13.439 397 HB3 CYS 55 HB1 CYS 55 -0.625 6.638 13.434 398 H ARG 56 HN ARG 56 -2.510 6.166 10.049 399 HA ARG 56 HA ARG 56 -3.723 8.160 8.525 400 HB2 ARG 56 HB2 ARG 56 -1.011 8.755 9.255 401 HB3 ARG 56 HB1 ARG 56 -1.083 8.443 7.525 402 HG2 ARG 56 HG2 ARG 56 -2.391 10.324 7.119 403 HG3 ARG 56 HG1 ARG 56 -3.222 10.222 8.665 404 HD2 ARG 56 HD2 ARG 56 -1.469 11.242 9.837 405 HD3 ARG 56 HD1 ARG 56 -0.307 10.936 8.555 406 HE ARG 56 HE ARG 56 -1.074 12.852 7.461 407 HH11 ARG 56 HH11 ARG 56 -3.172 11.927 10.059 408 HH12 ARG 56 HH12 ARG 56 -4.117 13.378 9.992 409 HH21 ARG 56 HH21 ARG 56 -2.320 14.746 7.362 410 HH22 ARG 56 HH22 ARG 56 -3.635 14.971 8.466 411 H ASN 57 HN ASN 57 -3.707 5.393 8.607 412 HA ASN 57 HA ASN 57 -3.713 3.605 7.181 413 HB2 ASN 57 HB2 ASN 57 -4.546 5.659 5.712 414 HB3 ASN 57 HB1 ASN 57 -3.067 5.283 4.850 415 HD21 ASN 57 HD21 ASN 57 -5.576 4.834 3.576 416 HD22 ASN 57 HD22 ASN 57 -5.826 3.161 3.428 417 H THR 58 HN THR 58 -2.331 2.183 6.386 418 HA THR 58 HA THR 58 0.482 2.952 6.033 419 HB THR 58 HB THR 58 0.019 0.091 6.457 420 HG1 THR 58 HG1 THR 58 -1.572 1.088 7.859 421 HG21 THR 58 HG21 THR 58 2.254 0.827 6.526 422 HG22 THR 58 HG22 THR 58 1.882 2.178 7.604 423 HG23 THR 58 HG23 THR 58 1.836 0.527 8.214 424 H CYS 59 HN CYS 59 1.678 1.635 4.561 425 HA CYS 59 HA CYS 59 0.025 0.770 2.273 426 HB2 CYS 59 HB2 CYS 59 1.643 2.789 2.177 427 HB3 CYS 59 HB1 CYS 59 2.925 1.588 2.225 428 H SER 60 HN SER 60 -0.110 -1.353 2.215 429 HA SER 60 HA SER 60 2.346 -2.934 2.567 430 HB2 SER 60 HB2 SER 60 -0.410 -3.718 3.514 431 HB3 SER 60 HB1 SER 60 1.040 -4.716 3.597 432 HG SER 60 HG SER 60 0.431 -2.318 4.968 433 H CYS 61 HN CYS 61 2.790 -3.584 0.544 434 HA CYS 61 HA CYS 61 0.589 -4.783 -1.022 435 HB2 CYS 61 HB2 CYS 61 2.970 -3.267 -2.098 436 HB3 CYS 61 HB1 CYS 61 1.715 -4.026 -3.069 437 H ILE 62 HN ILE 62 0.877 -6.839 -1.498 438 HA ILE 62 HA ILE 62 3.553 -7.976 -1.691 439 HB ILE 62 HB ILE 62 2.682 -9.802 0.057 440 HG12 ILE 62 HG12 ILE 62 1.555 -8.700 1.940 441 HG13 ILE 62 HG11 ILE 62 1.436 -7.209 1.008 442 HG21 ILE 62 HG21 ILE 62 3.837 -7.176 1.041 443 HG22 ILE 62 HG22 ILE 62 4.084 -8.780 1.722 444 HG23 ILE 62 HG23 ILE 62 4.796 -8.373 0.164 445 HD11 ILE 62 HD11 ILE 62 -0.648 -8.633 0.990 446 HD12 ILE 62 HD12 ILE 62 -0.011 -8.252 -0.610 447 HD13 ILE 62 HD13 ILE 62 0.265 -9.845 0.095 448 H ARG 63 HN ARG 63 3.353 -10.485 -1.971 449 HA ARG 63 HA ARG 63 1.305 -10.910 -4.015 450 HB2 ARG 63 HB2 ARG 63 3.878 -12.325 -3.324 451 HB3 ARG 63 HB1 ARG 63 2.700 -13.019 -4.437 452 HG2 ARG 63 HG2 ARG 63 2.832 -10.956 -5.821 453 HG3 ARG 63 HG1 ARG 63 4.076 -10.334 -4.735 454 HD2 ARG 63 HD2 ARG 63 4.305 -12.978 -6.181 455 HD3 ARG 63 HD1 ARG 63 4.963 -11.473 -6.808 456 HE ARG 63 HE ARG 63 6.504 -11.417 -4.981 457 HH11 ARG 63 HH11 ARG 63 4.498 -14.261 -5.048 458 HH12 ARG 63 HH12 ARG 63 5.541 -15.170 -4.008 459 HH21 ARG 63 HH21 ARG 63 7.852 -12.619 -3.636 460 HH22 ARG 63 HH22 ARG 63 7.431 -14.244 -3.210 461 H LEU 64 HN LEU 64 1.025 -10.971 -1.018 462 HA LEU 64 HA LEU 64 -0.177 -12.168 0.554 463 HB2 LEU 64 HB2 LEU 64 -1.112 -13.602 -1.926 464 HB3 LEU 64 HB1 LEU 64 -1.819 -13.816 -0.328 465 HG LEU 64 HG LEU 64 -1.614 -11.149 -1.759 466 HD11 LEU 64 HD11 LEU 64 -3.111 -12.547 -3.028 467 HD12 LEU 64 HD12 LEU 64 -3.890 -13.136 -1.560 468 HD13 LEU 64 HD13 LEU 64 -4.104 -11.458 -2.059 469 HD21 LEU 64 HD21 LEU 64 -3.608 -10.850 0.012 470 HD22 LEU 64 HD22 LEU 64 -2.685 -12.077 0.876 471 HD23 LEU 64 HD23 LEU 64 -1.929 -10.544 0.448 472 H SER 65 HN SER 65 -0.876 -14.862 0.652 473 HA SER 65 HA SER 65 -0.069 -16.974 1.094 474 HB2 SER 65 HB2 SER 65 1.303 -16.410 -1.114 475 HB3 SER 65 HB1 SER 65 2.644 -16.322 0.025 476 HG SER 65 HG SER 65 1.380 -18.478 -0.959 477 H ARG 66 HN ARG 66 0.911 -14.110 2.271 478 HA ARG 66 HA ARG 66 2.361 -15.384 4.500 479 HB2 ARG 66 HB2 ARG 66 3.144 -12.765 3.211 480 HB3 ARG 66 HB1 ARG 66 3.919 -13.511 4.612 481 HG2 ARG 66 HG2 ARG 66 4.229 -15.568 3.093 482 HG3 ARG 66 HG1 ARG 66 3.878 -14.476 1.759 483 HD2 ARG 66 HD2 ARG 66 6.270 -14.498 2.017 484 HD3 ARG 66 HD1 ARG 66 5.694 -12.952 2.634 485 HE ARG 66 HE ARG 66 5.874 -14.936 4.703 486 HH11 ARG 66 HH11 ARG 66 7.653 -12.691 2.758 487 HH12 ARG 66 HH12 ARG 66 8.921 -12.479 3.919 488 HH21 ARG 66 HH21 ARG 66 7.537 -14.663 6.227 489 HH22 ARG 66 HH22 ARG 66 8.855 -13.594 5.881 490 H SER 67 HN SER 67 2.282 -14.232 6.495 491 HA SER 67 HA SER 67 -0.276 -12.889 6.855 492 HB2 SER 67 HB2 SER 67 0.314 -14.573 8.486 493 HB3 SER 67 HB1 SER 67 1.855 -13.783 8.808 494 HG SER 67 HG SER 67 -0.263 -12.090 9.047 495 H THR 68 HN THR 68 -0.340 -10.805 6.397 496 HA THR 68 HA THR 68 1.830 -9.063 7.404 497 HB THR 68 HB THR 68 0.417 -7.852 5.210 498 HG1 THR 68 HG1 THR 68 0.976 -10.516 4.988 499 HG21 THR 68 HG21 THR 68 3.268 -8.848 5.428 500 HG22 THR 68 HG22 THR 68 2.671 -7.586 4.350 501 HG23 THR 68 HG23 THR 68 2.698 -7.317 6.093 502 H TYR 69 HN TYR 69 0.882 -8.337 9.238 503 HA TYR 69 HA TYR 69 -0.496 -7.092 10.591 504 HB2 TYR 69 HB2 TYR 69 -1.698 -5.982 8.050 505 HB3 TYR 69 HB1 TYR 69 -1.641 -5.226 9.641 506 HD1 TYR 69 HD1 TYR 69 0.188 -5.944 6.575 507 HD2 TYR 69 HD2 TYR 69 0.530 -4.415 10.577 508 HE1 TYR 69 HE1 TYR 69 2.388 -4.944 6.007 509 HE2 TYR 69 HE2 TYR 69 2.728 -3.419 10.009 510 HH TYR 69 HH TYR 69 3.774 -2.851 7.030 511 H ALA 70 HN ALA 70 -2.587 -7.633 7.765 512 HA ALA 70 HA ALA 70 -4.616 -8.664 7.542 513 HB1 ALA 70 HB1 ALA 70 -3.923 -10.269 9.998 514 HB2 ALA 70 HB2 ALA 70 -4.930 -10.744 8.631 515 HB3 ALA 70 HB3 ALA 70 -3.184 -10.589 8.429 516 H SER 71 HN SER 71 -5.526 -6.562 8.204 517 HA SER 71 HA SER 71 -6.628 -6.519 10.931 518 HB2 SER 71 HB2 SER 71 -5.633 -4.442 10.416 519 HB3 SER 71 HB1 SER 71 -6.302 -4.428 8.786 520 HG SER 71 HG SER 71 -7.533 -3.079 10.074 Start of MODEL 2 1 H LEU 1 HN LEU 1 -13.446 0.576 -0.462 2 HA LEU 1 HA LEU 1 -12.704 -0.592 2.140 3 HB2 LEU 1 HB2 LEU 1 -12.540 -1.779 -0.643 4 HB3 LEU 1 HB1 LEU 1 -12.183 -2.626 0.861 5 HG LEU 1 HG LEU 1 -14.863 -1.391 0.150 6 HD11 LEU 1 HD11 LEU 1 -15.220 -4.107 0.433 7 HD12 LEU 1 HD12 LEU 1 -15.061 -3.268 -1.109 8 HD13 LEU 1 HD13 LEU 1 -13.651 -4.021 -0.366 9 HD21 LEU 1 HD21 LEU 1 -14.877 -1.405 2.473 10 HD22 LEU 1 HD22 LEU 1 -15.432 -3.047 2.155 11 HD23 LEU 1 HD23 LEU 1 -13.746 -2.753 2.577 12 H ARG 2 HN ARG 2 -10.736 -1.765 -0.258 13 HA ARG 2 HA ARG 2 -8.375 -0.656 0.885 14 HB2 ARG 2 HB2 ARG 2 -8.982 -2.811 -0.771 15 HB3 ARG 2 HB1 ARG 2 -8.037 -1.738 -1.800 16 HG2 ARG 2 HG2 ARG 2 -6.435 -3.108 -0.721 17 HG3 ARG 2 HG1 ARG 2 -6.377 -1.580 0.156 18 HD2 ARG 2 HD2 ARG 2 -7.228 -4.240 1.079 19 HD3 ARG 2 HD1 ARG 2 -6.662 -2.857 2.011 20 HE ARG 2 HE ARG 2 -9.340 -2.538 0.960 21 HH11 ARG 2 HH11 ARG 2 -7.355 -3.746 3.526 22 HH12 ARG 2 HH12 ARG 2 -8.615 -3.684 4.712 23 HH21 ARG 2 HH21 ARG 2 -10.992 -2.453 2.509 24 HH22 ARG 2 HH22 ARG 2 -10.674 -2.952 4.138 25 H VAL 3 HN VAL 3 -6.763 0.634 -0.226 26 HA VAL 3 HA VAL 3 -7.778 3.026 -1.255 27 HB VAL 3 HB VAL 3 -5.407 2.362 -0.266 28 HG11 VAL 3 HG11 VAL 3 -3.709 2.020 -1.871 29 HG12 VAL 3 HG12 VAL 3 -5.015 0.959 -2.397 30 HG13 VAL 3 HG13 VAL 3 -4.754 2.507 -3.205 31 HG21 VAL 3 HG21 VAL 3 -5.707 4.647 -0.417 32 HG22 VAL 3 HG22 VAL 3 -4.526 4.435 -1.698 33 HG23 VAL 3 HG23 VAL 3 -6.233 4.573 -2.101 34 H ARG 4 HN ARG 4 -7.080 0.033 -2.790 35 HA ARG 4 HA ARG 4 -8.444 0.559 -5.145 36 HB2 ARG 4 HB2 ARG 4 -5.830 1.763 -5.157 37 HB3 ARG 4 HB1 ARG 4 -5.895 0.505 -6.383 38 HG2 ARG 4 HG2 ARG 4 -8.035 2.626 -6.083 39 HG3 ARG 4 HG1 ARG 4 -6.641 2.811 -7.142 40 HD2 ARG 4 HD2 ARG 4 -7.392 1.241 -8.640 41 HD3 ARG 4 HD1 ARG 4 -8.203 0.286 -7.408 42 HE ARG 4 HE ARG 4 -9.479 2.819 -7.790 43 HH11 ARG 4 HH11 ARG 4 -9.062 -0.374 -9.057 44 HH12 ARG 4 HH12 ARG 4 -10.597 -0.407 -9.860 45 HH21 ARG 4 HH21 ARG 4 -11.495 2.787 -8.847 46 HH22 ARG 4 HH22 ARG 4 -11.974 1.382 -9.741 47 H ARG 5 HN ARG 5 -7.023 -0.913 -7.045 48 HA ARG 5 HA ARG 5 -7.110 -3.573 -5.820 49 HB2 ARG 5 HB2 ARG 5 -7.181 -2.898 -8.751 50 HB3 ARG 5 HB1 ARG 5 -7.542 -4.453 -8.008 51 HG2 ARG 5 HG2 ARG 5 -9.084 -1.883 -7.535 52 HG3 ARG 5 HG1 ARG 5 -9.606 -3.205 -8.580 53 HD2 ARG 5 HD2 ARG 5 -10.712 -3.760 -6.619 54 HD3 ARG 5 HD1 ARG 5 -9.213 -4.658 -6.404 55 HE ARG 5 HE ARG 5 -8.702 -3.251 -4.634 56 HH11 ARG 5 HH11 ARG 5 -11.105 -1.840 -6.684 57 HH12 ARG 5 HH12 ARG 5 -11.404 -0.491 -5.641 58 HH21 ARG 5 HH21 ARG 5 -9.097 -1.489 -3.251 59 HH22 ARG 5 HH22 ARG 5 -10.266 -0.292 -3.696 60 H THR 6 HN THR 6 -5.633 -3.741 -8.767 61 HA THR 6 HA THR 6 -3.024 -4.261 -7.504 62 HB THR 6 HB THR 6 -2.552 -5.468 -9.646 63 HG1 THR 6 HG1 THR 6 -5.298 -5.200 -10.165 64 HG21 THR 6 HG21 THR 6 -5.149 -6.566 -8.663 65 HG22 THR 6 HG22 THR 6 -3.612 -7.390 -8.916 66 HG23 THR 6 HG23 THR 6 -3.851 -6.389 -7.485 67 H LEU 7 HN LEU 7 -4.126 -3.129 -10.654 68 HA LEU 7 HA LEU 7 -2.819 -1.901 -12.208 69 HB2 LEU 7 HB2 LEU 7 -3.206 0.541 -11.381 70 HB3 LEU 7 HB1 LEU 7 -4.564 -0.495 -11.808 71 HG LEU 7 HG LEU 7 -3.693 -0.691 -8.985 72 HD11 LEU 7 HD11 LEU 7 -4.668 1.846 -10.182 73 HD12 LEU 7 HD12 LEU 7 -5.072 1.415 -8.521 74 HD13 LEU 7 HD13 LEU 7 -3.394 1.547 -8.996 75 HD21 LEU 7 HD21 LEU 7 -5.703 -1.781 -10.091 76 HD22 LEU 7 HD22 LEU 7 -6.055 -0.864 -8.626 77 HD23 LEU 7 HD23 LEU 7 -6.404 -0.170 -10.212 78 H GLN 8 HN GLN 8 -2.098 0.390 -9.679 79 HA GLN 8 HA GLN 8 0.750 -0.327 -9.793 80 HB2 GLN 8 HB2 GLN 8 -0.237 1.810 -11.249 81 HB3 GLN 8 HB1 GLN 8 0.271 2.561 -9.734 82 HG2 GLN 8 HG2 GLN 8 2.477 1.483 -9.936 83 HG3 GLN 8 HG1 GLN 8 1.978 0.765 -11.467 84 HE21 GLN 8 HE21 GLN 8 4.118 2.874 -10.839 85 HE22 GLN 8 HE22 GLN 8 3.741 4.163 -11.876 86 H CYS 9 HN CYS 9 1.755 -0.127 -7.932 87 HA CYS 9 HA CYS 9 0.255 1.027 -5.693 88 HB2 CYS 9 HB2 CYS 9 0.155 -1.209 -5.289 89 HB3 CYS 9 HB1 CYS 9 1.713 -1.507 -6.022 90 H SER 10 HN SER 10 1.112 2.666 -4.759 91 HA SER 10 HA SER 10 4.031 2.824 -4.483 92 HB2 SER 10 HB2 SER 10 2.227 5.073 -5.404 93 HB3 SER 10 HB1 SER 10 3.938 5.236 -5.016 94 HG SER 10 HG SER 10 3.939 4.856 -7.151 95 H CYS 11 HN CYS 11 4.730 3.837 -2.589 96 HA CYS 11 HA CYS 11 2.631 4.717 -0.701 97 HB2 CYS 11 HB2 CYS 11 5.023 3.162 0.228 98 HB3 CYS 11 HB1 CYS 11 3.467 3.378 1.022 99 H ARG 12 HN ARG 12 3.498 6.114 1.049 100 HA ARG 12 HA ARG 12 6.200 7.228 0.574 101 HB2 ARG 12 HB2 ARG 12 5.484 9.495 0.293 102 HB3 ARG 12 HB1 ARG 12 4.570 8.537 -0.871 103 HG2 ARG 12 HG2 ARG 12 2.687 8.429 0.792 104 HG3 ARG 12 HG1 ARG 12 3.582 9.546 1.819 105 HD2 ARG 12 HD2 ARG 12 3.696 11.041 -0.305 106 HD3 ARG 12 HD1 ARG 12 2.363 10.041 -0.878 107 HE ARG 12 HE ARG 12 1.582 10.787 1.635 108 HH11 ARG 12 HH11 ARG 12 2.679 12.414 -1.211 109 HH12 ARG 12 HH12 ARG 12 1.784 13.864 -0.897 110 HH21 ARG 12 HH21 ARG 12 0.433 12.701 2.077 111 HH22 ARG 12 HH22 ARG 12 0.512 14.027 0.965 112 H ARG 13 HN ARG 13 7.104 8.239 2.406 113 HA ARG 13 HA ARG 13 6.276 7.402 4.919 114 HB2 ARG 13 HB2 ARG 13 8.528 8.213 4.489 115 HB3 ARG 13 HB1 ARG 13 7.889 9.829 4.263 116 HG2 ARG 13 HG2 ARG 13 7.036 8.600 6.760 117 HG3 ARG 13 HG1 ARG 13 8.767 8.840 6.661 118 HD2 ARG 13 HD2 ARG 13 6.839 11.036 5.920 119 HD3 ARG 13 HD1 ARG 13 7.371 10.782 7.559 120 HE ARG 13 HE ARG 13 9.690 10.882 6.087 121 HH11 ARG 13 HH11 ARG 13 6.913 12.881 6.605 122 HH12 ARG 13 HH12 ARG 13 7.767 14.370 6.375 123 HH21 ARG 13 HH21 ARG 13 10.822 12.832 5.793 124 HH22 ARG 13 HH22 ARG 13 9.983 14.342 5.915 125 H VAL 14 HN VAL 14 5.259 8.382 6.587 126 HA VAL 14 HA VAL 14 4.208 10.955 6.768 127 HB VAL 14 HB VAL 14 2.864 10.408 4.846 128 HG11 VAL 14 HG11 VAL 14 2.263 7.901 6.399 129 HG12 VAL 14 HG12 VAL 14 1.169 8.491 5.153 130 HG13 VAL 14 HG13 VAL 14 2.825 8.083 4.744 131 HG21 VAL 14 HG21 VAL 14 0.742 10.000 6.793 132 HG22 VAL 14 HG22 VAL 14 1.846 11.295 7.246 133 HG23 VAL 14 HG23 VAL 14 1.006 11.350 5.694 134 H CYS 15 HN CYS 15 5.339 9.633 8.705 135 HA CYS 15 HA CYS 15 5.053 9.130 10.919 136 HB2 CYS 15 HB2 CYS 15 3.159 9.819 11.943 137 HB3 CYS 15 HB1 CYS 15 2.540 10.232 10.349 138 H ARG 16 HN ARG 16 3.847 7.373 8.356 139 HA ARG 16 HA ARG 16 4.693 4.884 9.318 140 HB2 ARG 16 HB2 ARG 16 2.249 5.603 10.452 141 HB3 ARG 16 HB1 ARG 16 1.814 4.549 9.110 142 HG2 ARG 16 HG2 ARG 16 2.183 3.023 10.887 143 HG3 ARG 16 HG1 ARG 16 3.701 2.984 10.010 144 HD2 ARG 16 HD2 ARG 16 4.756 4.445 11.601 145 HD3 ARG 16 HD1 ARG 16 3.222 4.815 12.380 146 HE ARG 16 HE ARG 16 3.611 2.046 12.548 147 HH11 ARG 16 HH11 ARG 16 5.042 5.011 13.637 148 HH12 ARG 16 HH12 ARG 16 5.673 4.326 15.096 149 HH21 ARG 16 HH21 ARG 16 4.444 1.152 14.453 150 HH22 ARG 16 HH22 ARG 16 5.335 2.144 15.557 151 H ASN 17 HN ASN 17 4.643 6.473 6.955 152 HA ASN 17 HA ASN 17 4.423 6.245 4.726 153 HB2 ASN 17 HB2 ASN 17 3.918 3.364 5.336 154 HB3 ASN 17 HB1 ASN 17 4.517 4.047 3.839 155 HD21 ASN 17 HD21 ASN 17 6.600 5.590 4.380 156 HD22 ASN 17 HD22 ASN 17 7.764 4.822 5.347 157 H THR 18 HN THR 18 2.879 6.268 3.142 158 HA THR 18 HA THR 18 0.087 5.810 3.984 159 HB THR 18 HB THR 18 0.187 7.382 1.596 160 HG1 THR 18 HG1 THR 18 2.325 7.833 2.817 161 HG21 THR 18 HG21 THR 18 -0.793 9.141 3.302 162 HG22 THR 18 HG22 THR 18 -1.711 7.705 2.856 163 HG23 THR 18 HG23 THR 18 -0.854 7.762 4.393 164 H CYS 19 HN CYS 19 -1.335 5.077 2.374 165 HA CYS 19 HA CYS 19 -0.000 3.304 0.438 166 HB2 CYS 19 HB2 CYS 19 -1.428 2.438 2.389 167 HB3 CYS 19 HB1 CYS 19 -2.800 3.125 1.533 168 H SER 20 HN SER 20 -0.054 4.124 -1.530 169 HA SER 20 HA SER 20 -2.605 5.201 -2.525 170 HB2 SER 20 HB2 SER 20 0.138 6.307 -3.132 171 HB3 SER 20 HB1 SER 20 -1.371 6.841 -3.865 172 HG SER 20 HG SER 20 -1.558 6.788 -1.171 173 H CYS 21 HN CYS 21 -3.275 3.635 -3.865 174 HA CYS 21 HA CYS 21 -1.340 2.672 -5.862 175 HB2 CYS 21 HB2 CYS 21 -3.667 1.108 -4.716 176 HB3 CYS 21 HB1 CYS 21 -2.605 0.549 -5.992 177 H ILE 22 HN ILE 22 -1.770 3.330 -7.813 178 HA ILE 22 HA ILE 22 -4.523 3.718 -8.715 179 HB ILE 22 HB ILE 22 -3.667 6.065 -9.590 180 HG12 ILE 22 HG12 ILE 22 -2.307 7.188 -7.868 181 HG13 ILE 22 HG11 ILE 22 -2.127 5.666 -7.006 182 HG21 ILE 22 HG21 ILE 22 -4.575 5.664 -6.722 183 HG22 ILE 22 HG22 ILE 22 -4.799 7.111 -7.702 184 HG23 ILE 22 HG23 ILE 22 -5.652 5.628 -8.119 185 HD11 ILE 22 HD11 ILE 22 -0.255 6.434 -8.682 186 HD12 ILE 22 HD12 ILE 22 -0.750 4.742 -8.652 187 HD13 ILE 22 HD13 ILE 22 -1.363 5.819 -9.908 188 H ARG 23 HN ARG 23 -4.643 4.240 -11.059 189 HA ARG 23 HA ARG 23 -2.471 2.866 -12.468 190 HB2 ARG 23 HB2 ARG 23 -5.172 2.618 -12.700 191 HB3 ARG 23 HB1 ARG 23 -4.836 3.776 -13.986 192 HG2 ARG 23 HG2 ARG 23 -3.145 2.261 -14.933 193 HG3 ARG 23 HG1 ARG 23 -3.440 1.103 -13.637 194 HD2 ARG 23 HD2 ARG 23 -5.909 1.173 -14.405 195 HD3 ARG 23 HD1 ARG 23 -5.286 1.919 -15.875 196 HE ARG 23 HE ARG 23 -4.925 -0.846 -15.044 197 HH11 ARG 23 HH11 ARG 23 -3.906 1.780 -17.057 198 HH12 ARG 23 HH12 ARG 23 -3.155 0.763 -18.239 199 HH21 ARG 23 HH21 ARG 23 -3.943 -2.184 -16.591 200 HH22 ARG 23 HH22 ARG 23 -3.175 -1.483 -17.976 201 H LEU 24 HN LEU 24 -3.091 5.898 -11.560 202 HA LEU 24 HA LEU 24 -2.143 7.120 -14.083 203 HB2 LEU 24 HB2 LEU 24 -3.788 8.124 -11.809 204 HB3 LEU 24 HB1 LEU 24 -2.793 9.267 -12.711 205 HG LEU 24 HG LEU 24 -5.135 8.997 -13.596 206 HD11 LEU 24 HD11 LEU 24 -3.647 7.991 -15.880 207 HD12 LEU 24 HD12 LEU 24 -4.335 9.592 -15.619 208 HD13 LEU 24 HD13 LEU 24 -2.728 9.212 -15.004 209 HD21 LEU 24 HD21 LEU 24 -4.251 6.353 -14.706 210 HD22 LEU 24 HD22 LEU 24 -5.015 6.437 -13.119 211 HD23 LEU 24 HD23 LEU 24 -5.884 6.998 -14.546 212 H SER 25 HN SER 25 -0.099 7.702 -14.203 213 HA SER 25 HA SER 25 1.716 7.503 -12.027 214 HB2 SER 25 HB2 SER 25 2.019 8.760 -14.759 215 HB3 SER 25 HB1 SER 25 3.343 8.519 -13.623 216 HG SER 25 HG SER 25 3.101 6.345 -13.803 217 H ARG 26 HN ARG 26 0.115 10.239 -13.601 218 HA ARG 26 HA ARG 26 1.540 12.320 -12.351 219 HB2 ARG 26 HB2 ARG 26 -1.309 12.211 -13.365 220 HB3 ARG 26 HB1 ARG 26 -0.492 13.692 -12.864 221 HG2 ARG 26 HG2 ARG 26 1.211 13.391 -14.564 222 HG3 ARG 26 HG1 ARG 26 0.542 11.819 -15.000 223 HD2 ARG 26 HD2 ARG 26 -0.225 13.472 -16.614 224 HD3 ARG 26 HD1 ARG 26 -1.592 12.946 -15.637 225 HE ARG 26 HE ARG 26 -0.388 15.255 -14.486 226 HH11 ARG 26 HH11 ARG 26 -2.342 14.166 -17.128 227 HH12 ARG 26 HH12 ARG 26 -3.169 15.676 -17.319 228 HH21 ARG 26 HH21 ARG 26 -1.464 17.241 -14.739 229 HH22 ARG 26 HH22 ARG 26 -2.673 17.415 -15.967 230 H SER 27 HN SER 27 -1.347 10.547 -11.368 231 HA SER 27 HA SER 27 -1.447 12.072 -8.863 232 HB2 SER 27 HB2 SER 27 -3.581 10.991 -8.491 233 HB3 SER 27 HB1 SER 27 -3.549 11.602 -10.142 234 HG SER 27 HG SER 27 -3.816 9.625 -10.772 235 H THR 28 HN THR 28 -0.410 11.395 -7.152 236 HA THR 28 HA THR 28 -0.028 8.492 -6.764 237 HB THR 28 HB THR 28 2.199 8.963 -5.844 238 HG1 THR 28 HG1 THR 28 2.140 11.514 -6.952 239 HG21 THR 28 HG21 THR 28 3.312 9.375 -7.956 240 HG22 THR 28 HG22 THR 28 1.867 8.410 -8.263 241 HG23 THR 28 HG23 THR 28 1.863 10.140 -8.610 242 H TYR 29 HN TYR 29 -1.023 11.496 -5.515 243 HA TYR 29 HA TYR 29 -1.572 10.256 -2.914 244 HB2 TYR 29 HB2 TYR 29 0.489 11.406 -2.460 245 HB3 TYR 29 HB1 TYR 29 -0.078 12.858 -3.285 246 HD1 TYR 29 HD1 TYR 29 -0.741 10.640 -0.345 247 HD2 TYR 29 HD2 TYR 29 -1.379 14.483 -2.159 248 HE1 TYR 29 HE1 TYR 29 -1.764 11.463 1.756 249 HE2 TYR 29 HE2 TYR 29 -2.398 15.305 -0.055 250 HH TYR 29 HH TYR 29 -3.546 13.435 2.283 251 H ALA 30 HN ALA 30 -3.496 10.856 -2.053 252 HA ALA 30 HA ALA 30 -4.838 13.254 -3.048 253 HB1 ALA 30 HB1 ALA 30 -6.464 12.225 -4.224 254 HB2 ALA 30 HB2 ALA 30 -5.378 10.834 -4.252 255 HB3 ALA 30 HB3 ALA 30 -6.639 10.945 -3.023 256 H SER 31 HN SER 31 -6.596 13.934 -1.733 257 HA SER 31 HA SER 31 -6.896 12.520 0.837 258 HB2 SER 31 HB2 SER 31 -5.884 15.272 0.373 259 HB3 SER 31 HB1 SER 31 -7.032 15.066 1.693 260 HG SER 31 HG SER 31 -5.603 13.919 2.758 261 H LEU 41 HN LEU 41 7.897 -9.324 0.039 262 HA LEU 41 HA LEU 41 6.085 -9.318 1.556 263 HB2 LEU 41 HB2 LEU 41 7.772 -9.034 3.973 264 HB3 LEU 41 HB1 LEU 41 6.330 -10.012 3.709 265 HG LEU 41 HG LEU 41 7.875 -11.427 2.142 266 HD11 LEU 41 HD11 LEU 41 10.136 -11.132 2.268 267 HD12 LEU 41 HD12 LEU 41 9.709 -9.496 2.764 268 HD13 LEU 41 HD13 LEU 41 10.084 -10.716 3.980 269 HD21 LEU 41 HD21 LEU 41 8.784 -12.595 4.295 270 HD22 LEU 41 HD22 LEU 41 7.846 -11.373 5.152 271 HD23 LEU 41 HD23 LEU 41 7.039 -12.497 4.058 272 H ARG 42 HN ARG 42 5.188 -7.639 3.050 273 HA ARG 42 HA ARG 42 4.957 -5.458 3.784 274 HB2 ARG 42 HB2 ARG 42 7.601 -5.803 4.100 275 HB3 ARG 42 HB1 ARG 42 7.640 -4.617 2.798 276 HG2 ARG 42 HG2 ARG 42 7.579 -3.216 4.649 277 HG3 ARG 42 HG1 ARG 42 5.855 -3.370 4.307 278 HD2 ARG 42 HD2 ARG 42 6.268 -3.722 6.697 279 HD3 ARG 42 HD1 ARG 42 5.710 -5.219 5.960 280 HE ARG 42 HE ARG 42 7.803 -6.152 6.377 281 HH11 ARG 42 HH11 ARG 42 7.834 -2.717 6.780 282 HH12 ARG 42 HH12 ARG 42 9.419 -2.672 7.476 283 HH21 ARG 42 HH21 ARG 42 9.887 -6.103 7.286 284 HH22 ARG 42 HH22 ARG 42 10.581 -4.590 7.762 285 H VAL 43 HN VAL 43 6.347 -3.227 2.376 286 HA VAL 43 HA VAL 43 4.446 -2.901 0.261 287 HB VAL 43 HB VAL 43 6.772 -1.245 1.249 288 HG11 VAL 43 HG11 VAL 43 5.750 0.523 -0.304 289 HG12 VAL 43 HG12 VAL 43 6.694 -0.743 -1.084 290 HG13 VAL 43 HG13 VAL 43 4.932 -0.813 -1.114 291 HG21 VAL 43 HG21 VAL 43 4.881 0.308 1.826 292 HG22 VAL 43 HG22 VAL 43 3.756 -0.956 1.332 293 HG23 VAL 43 HG23 VAL 43 4.842 -1.223 2.699 294 H ARG 44 HN ARG 44 4.651 -4.000 -1.560 295 HA ARG 44 HA ARG 44 7.320 -4.346 -2.771 296 HB2 ARG 44 HB2 ARG 44 5.672 -6.317 -2.115 297 HB3 ARG 44 HB1 ARG 44 4.959 -5.893 -3.661 298 HG2 ARG 44 HG2 ARG 44 6.540 -7.445 -4.350 299 HG3 ARG 44 HG1 ARG 44 7.469 -5.952 -4.485 300 HD2 ARG 44 HD2 ARG 44 8.386 -6.329 -2.214 301 HD3 ARG 44 HD1 ARG 44 7.476 -7.832 -2.108 302 HE ARG 44 HE ARG 44 9.007 -8.821 -3.578 303 HH11 ARG 44 HH11 ARG 44 9.450 -5.397 -3.337 304 HH12 ARG 44 HH12 ARG 44 10.978 -5.399 -4.151 305 HH21 ARG 44 HH21 ARG 44 11.013 -8.831 -4.641 306 HH22 ARG 44 HH22 ARG 44 11.864 -7.344 -4.891 307 H ARG 45 HN ARG 45 5.779 -5.235 -5.194 308 HA ARG 45 HA ARG 45 5.627 -2.594 -6.409 309 HB2 ARG 45 HB2 ARG 45 5.584 -5.309 -7.730 310 HB3 ARG 45 HB1 ARG 45 5.700 -3.753 -8.546 311 HG2 ARG 45 HG2 ARG 45 7.788 -3.272 -7.310 312 HG3 ARG 45 HG1 ARG 45 7.687 -4.859 -6.545 313 HD2 ARG 45 HD2 ARG 45 7.711 -5.898 -8.823 314 HD3 ARG 45 HD1 ARG 45 7.963 -4.298 -9.512 315 HE ARG 45 HE ARG 45 9.941 -4.743 -7.558 316 HH11 ARG 45 HH11 ARG 45 8.886 -5.892 -10.642 317 HH12 ARG 45 HH12 ARG 45 10.465 -6.375 -11.161 318 HH21 ARG 45 HH21 ARG 45 12.022 -5.383 -8.224 319 HH22 ARG 45 HH22 ARG 45 12.242 -6.088 -9.791 320 H THR 46 HN THR 46 3.931 -4.026 -8.537 321 HA THR 46 HA THR 46 1.443 -2.834 -7.833 322 HB THR 46 HB THR 46 0.708 -3.722 -10.005 323 HG1 THR 46 HG1 THR 46 3.297 -4.758 -10.307 324 HG21 THR 46 HG21 THR 46 2.583 -1.767 -9.527 325 HG22 THR 46 HG22 THR 46 3.423 -2.799 -10.683 326 HG23 THR 46 HG23 THR 46 1.865 -2.092 -11.103 327 H LEU 47 HN LEU 47 2.102 -6.114 -8.889 328 HA LEU 47 HA LEU 47 0.580 -7.913 -8.686 329 HB2 LEU 47 HB2 LEU 47 1.114 -8.812 -6.306 330 HB3 LEU 47 HB1 LEU 47 2.389 -8.674 -7.521 331 HG LEU 47 HG LEU 47 1.992 -6.217 -5.941 332 HD11 LEU 47 HD11 LEU 47 2.540 -8.793 -4.592 333 HD12 LEU 47 HD12 LEU 47 3.411 -7.348 -4.106 334 HD13 LEU 47 HD13 LEU 47 1.667 -7.353 -4.060 335 HD21 LEU 47 HD21 LEU 47 4.461 -7.909 -6.320 336 HD22 LEU 47 HD22 LEU 47 3.864 -6.826 -7.579 337 HD23 LEU 47 HD23 LEU 47 4.362 -6.176 -6.016 338 H GLN 48 HN GLN 48 0.417 -6.918 -5.328 339 HA GLN 48 HA GLN 48 -2.466 -6.436 -5.577 340 HB2 GLN 48 HB2 GLN 48 -1.374 -8.792 -4.457 341 HB3 GLN 48 HB1 GLN 48 -1.906 -7.789 -3.103 342 HG2 GLN 48 HG2 GLN 48 -3.590 -8.494 -5.520 343 HG3 GLN 48 HG1 GLN 48 -3.728 -9.248 -3.932 344 HE21 GLN 48 HE21 GLN 48 -5.848 -7.690 -5.268 345 HE22 GLN 48 HE22 GLN 48 -6.164 -6.352 -4.273 346 H CYS 49 HN CYS 49 -3.190 -4.889 -4.243 347 HA CYS 49 HA CYS 49 -1.199 -3.549 -2.532 348 HB2 CYS 49 HB2 CYS 49 -1.760 -2.304 -4.530 349 HB3 CYS 49 HB1 CYS 49 -3.470 -2.440 -4.119 350 H SER 50 HN SER 50 -1.618 -3.375 -0.482 351 HA SER 50 HA SER 50 -4.413 -3.410 0.391 352 HB2 SER 50 HB2 SER 50 -2.142 -4.972 1.650 353 HB3 SER 50 HB1 SER 50 -3.763 -4.829 2.323 354 HG SER 50 HG SER 50 -4.260 -5.568 -0.036 355 H CYS 51 HN CYS 51 -4.857 -2.156 2.243 356 HA CYS 51 HA CYS 51 -2.612 -0.655 3.414 357 HB2 CYS 51 HB2 CYS 51 -5.121 0.787 2.669 358 HB3 CYS 51 HB1 CYS 51 -3.498 1.426 2.912 359 H ARG 52 HN ARG 52 -3.211 0.408 5.474 360 HA ARG 52 HA ARG 52 -5.819 -0.314 6.635 361 HB2 ARG 52 HB2 ARG 52 -5.080 -1.736 8.344 362 HB3 ARG 52 HB1 ARG 52 -4.148 -2.301 6.958 363 HG2 ARG 52 HG2 ARG 52 -2.323 -0.659 7.718 364 HG3 ARG 52 HG1 ARG 52 -3.215 -0.530 9.233 365 HD2 ARG 52 HD2 ARG 52 -3.140 -3.159 9.158 366 HD3 ARG 52 HD1 ARG 52 -1.772 -2.886 8.085 367 HE ARG 52 HE ARG 52 -0.579 -1.934 9.887 368 HH11 ARG 52 HH11 ARG 52 -3.847 -2.742 10.714 369 HH12 ARG 52 HH12 ARG 52 -3.592 -2.601 12.421 370 HH21 ARG 52 HH21 ARG 52 -0.247 -1.753 12.133 371 HH22 ARG 52 HH22 ARG 52 -1.562 -2.043 13.222 372 H ARG 53 HN ARG 53 -6.404 1.051 8.337 373 HA ARG 53 HA ARG 53 -5.209 3.538 8.634 374 HB2 ARG 53 HB2 ARG 53 -7.489 3.035 9.325 375 HB3 ARG 53 HB1 ARG 53 -6.846 2.083 10.658 376 HG2 ARG 53 HG2 ARG 53 -5.816 3.989 11.656 377 HG3 ARG 53 HG1 ARG 53 -6.098 4.970 10.218 378 HD2 ARG 53 HD2 ARG 53 -7.709 5.528 11.908 379 HD3 ARG 53 HD1 ARG 53 -8.526 4.741 10.575 380 HE ARG 53 HE ARG 53 -7.782 2.839 12.563 381 HH11 ARG 53 HH11 ARG 53 -10.027 5.372 11.835 382 HH12 ARG 53 HH12 ARG 53 -11.289 4.725 12.829 383 HH21 ARG 53 HH21 ARG 53 -9.427 1.986 13.864 384 HH22 ARG 53 HH22 ARG 53 -10.949 2.807 13.980 385 H VAL 54 HN VAL 54 -4.018 4.462 10.219 386 HA VAL 54 HA VAL 54 -2.938 3.415 12.526 387 HB VAL 54 HB VAL 54 -1.897 1.699 11.195 388 HG11 VAL 54 HG11 VAL 54 -1.177 3.993 9.441 389 HG12 VAL 54 HG12 VAL 54 -0.069 2.629 9.522 390 HG13 VAL 54 HG13 VAL 54 -1.744 2.394 9.031 391 HG21 VAL 54 HG21 VAL 54 0.375 1.940 11.885 392 HG22 VAL 54 HG22 VAL 54 0.259 3.697 11.865 393 HG23 VAL 54 HG23 VAL 54 -0.610 2.776 13.085 394 H CYS 55 HN CYS 55 -3.466 5.733 12.759 395 HA CYS 55 HA CYS 55 -2.787 7.915 13.076 396 HB2 CYS 55 HB2 CYS 55 -0.741 7.522 14.069 397 HB3 CYS 55 HB1 CYS 55 -0.148 6.538 12.754 398 H ARG 56 HN ARG 56 -2.463 6.320 10.183 399 HA ARG 56 HA ARG 56 -3.214 8.397 8.535 400 HB2 ARG 56 HB2 ARG 56 -0.413 8.472 9.341 401 HB3 ARG 56 HB1 ARG 56 -0.586 8.287 7.597 402 HG2 ARG 56 HG2 ARG 56 -1.449 10.417 7.339 403 HG3 ARG 56 HG1 ARG 56 -2.386 10.329 8.820 404 HD2 ARG 56 HD2 ARG 56 -0.645 11.051 10.157 405 HD3 ARG 56 HD1 ARG 56 0.596 10.509 9.037 406 HE ARG 56 HE ARG 56 -0.832 12.520 7.738 407 HH11 ARG 56 HH11 ARG 56 1.105 12.092 10.578 408 HH12 ARG 56 HH12 ARG 56 1.695 13.720 10.584 409 HH21 ARG 56 HH21 ARG 56 -0.064 14.648 7.745 410 HH22 ARG 56 HH22 ARG 56 1.033 15.165 8.982 411 H ASN 57 HN ASN 57 -3.103 5.500 9.028 412 HA ASN 57 HA ASN 57 -3.296 3.624 7.764 413 HB2 ASN 57 HB2 ASN 57 -4.150 5.670 6.147 414 HB3 ASN 57 HB1 ASN 57 -2.939 4.856 5.177 415 HD21 ASN 57 HD21 ASN 57 -3.479 2.803 4.290 416 HD22 ASN 57 HD22 ASN 57 -4.962 2.028 4.577 417 H THR 58 HN THR 58 -2.097 2.124 6.731 418 HA THR 58 HA THR 58 0.714 2.804 6.188 419 HB THR 58 HB THR 58 0.437 -0.014 6.566 420 HG1 THR 58 HG1 THR 58 -1.389 0.994 7.892 421 HG21 THR 58 HG21 THR 58 1.802 2.157 8.163 422 HG22 THR 58 HG22 THR 58 2.061 0.433 8.409 423 HG23 THR 58 HG23 THR 58 2.512 1.178 6.872 424 H CYS 59 HN CYS 59 1.772 1.433 4.629 425 HA CYS 59 HA CYS 59 -0.039 0.626 2.434 426 HB2 CYS 59 HB2 CYS 59 1.478 2.634 2.127 427 HB3 CYS 59 HB1 CYS 59 2.834 1.524 2.246 428 H SER 60 HN SER 60 0.093 -1.370 1.703 429 HA SER 60 HA SER 60 2.514 -2.938 2.040 430 HB2 SER 60 HB2 SER 60 1.308 -4.806 3.131 431 HB3 SER 60 HB1 SER 60 1.352 -3.370 4.150 432 HG SER 60 HG SER 60 -0.741 -3.505 4.145 433 H CYS 61 HN CYS 61 2.816 -3.676 0.040 434 HA CYS 61 HA CYS 61 0.477 -4.710 -1.431 435 HB2 CYS 61 HB2 CYS 61 2.987 -3.456 -2.571 436 HB3 CYS 61 HB1 CYS 61 1.721 -4.205 -3.532 437 H ILE 62 HN ILE 62 0.503 -6.782 -1.830 438 HA ILE 62 HA ILE 62 2.961 -8.304 -2.137 439 HB ILE 62 HB ILE 62 1.992 -9.894 -0.234 440 HG12 ILE 62 HG12 ILE 62 1.256 -8.551 1.688 441 HG13 ILE 62 HG11 ILE 62 1.280 -7.101 0.692 442 HG21 ILE 62 HG21 ILE 62 3.662 -7.479 0.504 443 HG22 ILE 62 HG22 ILE 62 3.708 -9.079 1.234 444 HG23 ILE 62 HG23 ILE 62 4.310 -8.844 -0.404 445 HD11 ILE 62 HD11 ILE 62 -0.971 -8.412 1.026 446 HD12 ILE 62 HD12 ILE 62 -0.566 -7.778 -0.567 447 HD13 ILE 62 HD13 ILE 62 -0.311 -9.485 -0.203 448 H ARG 63 HN ARG 63 2.607 -10.453 -2.857 449 HA ARG 63 HA ARG 63 0.091 -10.791 -4.254 450 HB2 ARG 63 HB2 ARG 63 1.129 -12.678 -5.326 451 HB3 ARG 63 HB1 ARG 63 2.303 -11.362 -5.278 452 HG2 ARG 63 HG2 ARG 63 3.138 -12.405 -3.084 453 HG3 ARG 63 HG1 ARG 63 2.196 -13.828 -3.537 454 HD2 ARG 63 HD2 ARG 63 4.453 -14.141 -4.353 455 HD3 ARG 63 HD1 ARG 63 3.407 -13.844 -5.738 456 HE ARG 63 HE ARG 63 4.587 -11.427 -4.716 457 HH11 ARG 63 HH11 ARG 63 5.060 -14.228 -6.692 458 HH12 ARG 63 HH12 ARG 63 6.260 -13.487 -7.697 459 HH21 ARG 63 HH21 ARG 63 6.164 -10.450 -6.023 460 HH22 ARG 63 HH22 ARG 63 6.885 -11.347 -7.318 461 H LEU 64 HN LEU 64 1.040 -11.400 -1.184 462 HA LEU 64 HA LEU 64 -0.341 -13.963 -0.888 463 HB2 LEU 64 HB2 LEU 64 1.097 -12.227 1.130 464 HB3 LEU 64 HB1 LEU 64 0.398 -13.808 1.474 465 HG LEU 64 HG LEU 64 2.537 -13.277 -0.616 466 HD11 LEU 64 HD11 LEU 64 2.646 -13.847 2.276 467 HD12 LEU 64 HD12 LEU 64 3.657 -14.900 1.285 468 HD13 LEU 64 HD13 LEU 64 3.873 -13.152 1.218 469 HD21 LEU 64 HD21 LEU 64 0.963 -15.674 0.229 470 HD22 LEU 64 HD22 LEU 64 1.588 -15.245 -1.362 471 HD23 LEU 64 HD23 LEU 64 2.668 -15.916 -0.141 472 H SER 65 HN SER 65 -1.634 -13.976 1.360 473 HA SER 65 HA SER 65 -3.867 -12.154 0.911 474 HB2 SER 65 HB2 SER 65 -3.547 -14.511 2.782 475 HB3 SER 65 HB1 SER 65 -5.027 -13.578 2.582 476 HG SER 65 HG SER 65 -5.240 -15.209 1.162 477 H ARG 66 HN ARG 66 -1.561 -10.884 1.863 478 HA ARG 66 HA ARG 66 -0.905 -9.344 3.435 479 HB2 ARG 66 HB2 ARG 66 -3.660 -9.717 4.628 480 HB3 ARG 66 HB1 ARG 66 -2.594 -8.330 4.818 481 HG2 ARG 66 HG2 ARG 66 -2.753 -7.860 2.406 482 HG3 ARG 66 HG1 ARG 66 -3.811 -9.255 2.198 483 HD2 ARG 66 HD2 ARG 66 -4.392 -6.835 3.925 484 HD3 ARG 66 HD1 ARG 66 -5.116 -7.177 2.361 485 HE ARG 66 HE ARG 66 -6.323 -8.985 3.340 486 HH11 ARG 66 HH11 ARG 66 -4.349 -7.229 5.603 487 HH12 ARG 66 HH12 ARG 66 -5.191 -7.824 6.991 488 HH21 ARG 66 HH21 ARG 66 -7.420 -9.743 5.165 489 HH22 ARG 66 HH22 ARG 66 -6.922 -9.242 6.747 490 H SER 67 HN SER 67 -2.025 -9.354 6.218 491 HA SER 67 HA SER 67 -1.686 -10.397 8.252 492 HB2 SER 67 HB2 SER 67 -1.693 -12.691 8.368 493 HB3 SER 67 HB1 SER 67 -2.286 -12.502 6.720 494 HG SER 67 HG SER 67 -0.442 -13.973 7.068 495 H THR 68 HN THR 68 0.460 -9.274 6.229 496 HA THR 68 HA THR 68 2.946 -10.401 6.907 497 HB THR 68 HB THR 68 2.270 -7.559 6.114 498 HG1 THR 68 HG1 THR 68 2.742 -8.295 4.072 499 HG21 THR 68 HG21 THR 68 4.771 -7.891 5.249 500 HG22 THR 68 HG22 THR 68 4.431 -7.309 6.879 501 HG23 THR 68 HG23 THR 68 4.833 -9.006 6.613 502 H TYR 69 HN TYR 69 1.171 -7.668 8.347 503 HA TYR 69 HA TYR 69 2.528 -8.155 10.885 504 HB2 TYR 69 HB2 TYR 69 3.499 -6.033 11.122 505 HB3 TYR 69 HB1 TYR 69 3.868 -6.459 9.451 506 HD1 TYR 69 HD1 TYR 69 2.158 -4.118 11.635 507 HD2 TYR 69 HD2 TYR 69 2.359 -5.597 7.601 508 HE1 TYR 69 HE1 TYR 69 0.948 -2.115 10.838 509 HE2 TYR 69 HE2 TYR 69 1.147 -3.584 6.810 510 HH TYR 69 HH TYR 69 -0.066 -1.796 7.467 511 H ALA 70 HN ALA 70 -0.149 -7.315 9.079 512 HA ALA 70 HA ALA 70 -1.544 -5.534 10.755 513 HB1 ALA 70 HB1 ALA 70 -2.057 -6.914 8.369 514 HB2 ALA 70 HB2 ALA 70 -3.307 -7.449 9.492 515 HB3 ALA 70 HB3 ALA 70 -3.101 -5.730 9.155 516 H SER 71 HN SER 71 -1.322 -9.067 10.742 517 HA SER 71 HA SER 71 -2.955 -9.162 13.195 518 HB2 SER 71 HB2 SER 71 -3.571 -10.627 11.242 519 HB3 SER 71 HB1 SER 71 -2.043 -11.473 11.470 520 HG SER 71 HG SER 71 -2.718 -12.095 13.497 Start of MODEL 3 1 H LEU 1 HN LEU 1 -9.652 8.028 3.802 2 HA LEU 1 HA LEU 1 -10.519 7.784 0.988 3 HB2 LEU 1 HB2 LEU 1 -8.199 9.134 1.926 4 HB3 LEU 1 HB1 LEU 1 -7.656 7.640 1.168 5 HG LEU 1 HG LEU 1 -7.778 9.448 -0.489 6 HD11 LEU 1 HD11 LEU 1 -8.930 6.910 -0.704 7 HD12 LEU 1 HD12 LEU 1 -10.116 7.993 -1.432 8 HD13 LEU 1 HD13 LEU 1 -8.460 7.962 -2.039 9 HD21 LEU 1 HD21 LEU 1 -10.681 9.655 -0.600 10 HD22 LEU 1 HD22 LEU 1 -10.057 10.201 0.956 11 HD23 LEU 1 HD23 LEU 1 -9.473 10.939 -0.536 12 H ARG 2 HN ARG 2 -10.492 5.765 0.193 13 HA ARG 2 HA ARG 2 -9.167 3.657 1.803 14 HB2 ARG 2 HB2 ARG 2 -11.787 3.561 0.289 15 HB3 ARG 2 HB1 ARG 2 -10.988 2.147 0.977 16 HG2 ARG 2 HG2 ARG 2 -11.089 3.168 3.217 17 HG3 ARG 2 HG1 ARG 2 -11.875 4.592 2.536 18 HD2 ARG 2 HD2 ARG 2 -13.755 3.189 1.768 19 HD3 ARG 2 HD1 ARG 2 -12.972 1.767 2.452 20 HE ARG 2 HE ARG 2 -13.234 3.709 4.479 21 HH11 ARG 2 HH11 ARG 2 -15.136 1.641 2.459 22 HH12 ARG 2 HH12 ARG 2 -16.424 1.476 3.606 23 HH21 ARG 2 HH21 ARG 2 -14.916 3.493 5.988 24 HH22 ARG 2 HH22 ARG 2 -16.298 2.523 5.604 25 H VAL 3 HN VAL 3 -7.809 2.322 0.742 26 HA VAL 3 HA VAL 3 -7.819 2.394 -2.218 27 HB VAL 3 HB VAL 3 -5.353 2.314 -0.463 28 HG11 VAL 3 HG11 VAL 3 -4.161 2.030 -2.369 29 HG12 VAL 3 HG12 VAL 3 -5.685 1.502 -3.080 30 HG13 VAL 3 HG13 VAL 3 -5.160 3.173 -3.265 31 HG21 VAL 3 HG21 VAL 3 -5.731 4.537 -0.187 32 HG22 VAL 3 HG22 VAL 3 -5.283 4.683 -1.886 33 HG23 VAL 3 HG23 VAL 3 -6.983 4.562 -1.432 34 H ARG 4 HN ARG 4 -8.077 0.417 -3.049 35 HA ARG 4 HA ARG 4 -6.652 -1.871 -2.113 36 HB2 ARG 4 HB2 ARG 4 -8.438 -1.706 -0.381 37 HB3 ARG 4 HB1 ARG 4 -9.626 -1.923 -1.661 38 HG2 ARG 4 HG2 ARG 4 -8.606 -4.087 -2.250 39 HG3 ARG 4 HG1 ARG 4 -7.418 -3.873 -0.965 40 HD2 ARG 4 HD2 ARG 4 -9.253 -3.777 0.697 41 HD3 ARG 4 HD1 ARG 4 -10.419 -4.053 -0.594 42 HE ARG 4 HE ARG 4 -8.654 -6.026 0.599 43 HH11 ARG 4 HH11 ARG 4 -10.612 -5.101 -2.101 44 HH12 ARG 4 HH12 ARG 4 -10.870 -6.724 -2.646 45 HH21 ARG 4 HH21 ARG 4 -8.997 -8.158 -0.105 46 HH22 ARG 4 HH22 ARG 4 -9.956 -8.455 -1.516 47 H ARG 5 HN ARG 5 -6.111 -2.435 -4.094 48 HA ARG 5 HA ARG 5 -8.171 -3.421 -5.899 49 HB2 ARG 5 HB2 ARG 5 -6.233 -1.280 -6.800 50 HB3 ARG 5 HB1 ARG 5 -7.386 -2.134 -7.823 51 HG2 ARG 5 HG2 ARG 5 -9.233 -1.245 -6.356 52 HG3 ARG 5 HG1 ARG 5 -8.028 -0.244 -5.549 53 HD2 ARG 5 HD2 ARG 5 -7.434 0.759 -7.748 54 HD3 ARG 5 HD1 ARG 5 -8.738 -0.165 -8.488 55 HE ARG 5 HE ARG 5 -9.777 1.302 -6.307 56 HH11 ARG 5 HH11 ARG 5 -8.441 1.724 -9.471 57 HH12 ARG 5 HH12 ARG 5 -9.323 3.179 -9.799 58 HH21 ARG 5 HH21 ARG 5 -10.936 3.207 -6.729 59 HH22 ARG 5 HH22 ARG 5 -10.735 4.018 -8.247 60 H THR 6 HN THR 6 -6.352 -3.522 -8.178 61 HA THR 6 HA THR 6 -4.150 -5.227 -7.257 62 HB THR 6 HB THR 6 -4.803 -6.928 -8.956 63 HG1 THR 6 HG1 THR 6 -6.355 -5.141 -9.813 64 HG21 THR 6 HG21 THR 6 -5.381 -7.135 -6.517 65 HG22 THR 6 HG22 THR 6 -6.957 -6.442 -6.885 66 HG23 THR 6 HG23 THR 6 -6.491 -7.992 -7.583 67 H LEU 7 HN LEU 7 -2.932 -3.347 -8.055 68 HA LEU 7 HA LEU 7 -2.293 -3.618 -10.886 69 HB2 LEU 7 HB2 LEU 7 -2.419 -0.952 -10.909 70 HB3 LEU 7 HB1 LEU 7 -3.782 -1.973 -11.359 71 HG LEU 7 HG LEU 7 -3.634 -1.498 -8.449 72 HD11 LEU 7 HD11 LEU 7 -3.811 0.839 -10.329 73 HD12 LEU 7 HD12 LEU 7 -4.529 0.848 -8.715 74 HD13 LEU 7 HD13 LEU 7 -2.792 0.633 -8.900 75 HD21 LEU 7 HD21 LEU 7 -6.023 -0.679 -8.996 76 HD22 LEU 7 HD22 LEU 7 -5.711 -1.187 -10.642 77 HD23 LEU 7 HD23 LEU 7 -5.674 -2.370 -9.342 78 H GLN 8 HN GLN 8 -1.657 -0.711 -9.073 79 HA GLN 8 HA GLN 8 1.165 -1.520 -8.745 80 HB2 GLN 8 HB2 GLN 8 0.289 0.503 -10.414 81 HB3 GLN 8 HB1 GLN 8 0.643 1.352 -8.908 82 HG2 GLN 8 HG2 GLN 8 2.878 0.336 -8.837 83 HG3 GLN 8 HG1 GLN 8 2.551 -0.482 -10.365 84 HE21 GLN 8 HE21 GLN 8 4.100 0.674 -11.656 85 HE22 GLN 8 HE22 GLN 8 3.984 2.341 -11.952 86 H CYS 9 HN CYS 9 1.910 -1.317 -6.788 87 HA CYS 9 HA CYS 9 0.265 0.032 -4.769 88 HB2 CYS 9 HB2 CYS 9 0.048 -2.245 -4.455 89 HB3 CYS 9 HB1 CYS 9 1.739 -2.563 -4.828 90 H SER 10 HN SER 10 1.110 1.660 -3.695 91 HA SER 10 HA SER 10 3.965 1.671 -3.039 92 HB2 SER 10 HB2 SER 10 4.312 3.913 -3.928 93 HB3 SER 10 HB1 SER 10 3.779 2.843 -5.221 94 HG SER 10 HG SER 10 2.435 4.924 -3.919 95 H CYS 11 HN CYS 11 4.523 3.297 -1.422 96 HA CYS 11 HA CYS 11 2.205 4.150 0.206 97 HB2 CYS 11 HB2 CYS 11 4.434 2.520 0.942 98 HB3 CYS 11 HB1 CYS 11 4.595 4.073 1.756 99 H ARG 12 HN ARG 12 2.528 6.125 1.482 100 HA ARG 12 HA ARG 12 4.765 7.806 0.587 101 HB2 ARG 12 HB2 ARG 12 3.380 8.937 -0.733 102 HB3 ARG 12 HB1 ARG 12 1.927 8.271 0.010 103 HG2 ARG 12 HG2 ARG 12 2.047 9.872 1.805 104 HG3 ARG 12 HG1 ARG 12 3.642 10.420 1.289 105 HD2 ARG 12 HD2 ARG 12 1.170 10.637 -0.430 106 HD3 ARG 12 HD1 ARG 12 1.734 11.930 0.624 107 HE ARG 12 HE ARG 12 3.876 11.112 -1.014 108 HH11 ARG 12 HH11 ARG 12 0.791 12.665 -1.153 109 HH12 ARG 12 HH12 ARG 12 1.176 13.622 -2.544 110 HH21 ARG 12 HH21 ARG 12 4.391 12.352 -2.851 111 HH22 ARG 12 HH22 ARG 12 3.217 13.444 -3.507 112 H ARG 13 HN ARG 13 5.708 8.856 2.161 113 HA ARG 13 HA ARG 13 5.142 8.350 4.864 114 HB2 ARG 13 HB2 ARG 13 7.335 9.062 4.113 115 HB3 ARG 13 HB1 ARG 13 6.683 10.660 3.778 116 HG2 ARG 13 HG2 ARG 13 6.174 11.042 6.091 117 HG3 ARG 13 HG1 ARG 13 6.509 9.357 6.494 118 HD2 ARG 13 HD2 ARG 13 8.833 9.621 6.018 119 HD3 ARG 13 HD1 ARG 13 8.582 11.228 5.338 120 HE ARG 13 HE ARG 13 7.659 11.309 7.971 121 HH11 ARG 13 HH11 ARG 13 10.588 10.664 6.248 122 HH12 ARG 13 HH12 ARG 13 11.622 11.265 7.500 123 HH21 ARG 13 HH21 ARG 13 9.005 12.132 9.605 124 HH22 ARG 13 HH22 ARG 13 10.724 12.098 9.403 125 H VAL 14 HN VAL 14 4.170 9.359 6.407 126 HA VAL 14 HA VAL 14 3.159 11.971 6.517 127 HB VAL 14 HB VAL 14 1.754 11.262 4.662 128 HG11 VAL 14 HG11 VAL 14 0.778 9.051 6.510 129 HG12 VAL 14 HG12 VAL 14 0.204 9.410 4.877 130 HG13 VAL 14 HG13 VAL 14 1.848 8.855 5.124 131 HG21 VAL 14 HG21 VAL 14 0.899 12.622 6.781 132 HG22 VAL 14 HG22 VAL 14 -0.189 12.195 5.463 133 HG23 VAL 14 HG23 VAL 14 -0.173 11.240 6.939 134 H CYS 15 HN CYS 15 4.328 10.748 8.544 135 HA CYS 15 HA CYS 15 3.942 10.499 10.820 136 HB2 CYS 15 HB2 CYS 15 1.860 10.681 11.791 137 HB3 CYS 15 HB1 CYS 15 1.453 11.335 10.209 138 H ARG 16 HN ARG 16 3.035 8.372 8.365 139 HA ARG 16 HA ARG 16 4.244 6.106 9.475 140 HB2 ARG 16 HB2 ARG 16 1.637 6.684 10.532 141 HB3 ARG 16 HB1 ARG 16 1.544 5.231 9.563 142 HG2 ARG 16 HG2 ARG 16 2.955 4.042 10.985 143 HG3 ARG 16 HG1 ARG 16 3.843 5.476 11.484 144 HD2 ARG 16 HD2 ARG 16 2.156 6.160 12.979 145 HD3 ARG 16 HD1 ARG 16 0.968 5.074 12.275 146 HE ARG 16 HE ARG 16 3.114 3.534 13.255 147 HH11 ARG 16 HH11 ARG 16 0.538 5.571 14.349 148 HH12 ARG 16 HH12 ARG 16 0.376 4.773 15.878 149 HH21 ARG 16 HH21 ARG 16 2.914 2.495 15.257 150 HH22 ARG 16 HH22 ARG 16 1.722 3.032 16.392 151 H ASN 17 HN ASN 17 4.018 7.317 6.956 152 HA ASN 17 HA ASN 17 3.671 6.765 4.784 153 HB2 ASN 17 HB2 ASN 17 3.414 3.974 5.811 154 HB3 ASN 17 HB1 ASN 17 3.960 4.500 4.230 155 HD21 ASN 17 HD21 ASN 17 5.863 6.316 4.564 156 HD22 ASN 17 HD22 ASN 17 7.100 5.793 5.602 157 H THR 18 HN THR 18 2.091 6.423 3.310 158 HA THR 18 HA THR 18 -0.610 5.863 4.309 159 HB THR 18 HB THR 18 -0.815 7.252 1.844 160 HG1 THR 18 HG1 THR 18 1.325 7.978 2.397 161 HG21 THR 18 HG21 THR 18 -2.566 7.463 3.395 162 HG22 THR 18 HG22 THR 18 -1.488 7.900 4.715 163 HG23 THR 18 HG23 THR 18 -1.800 9.050 3.416 164 H CYS 19 HN CYS 19 -2.119 5.012 2.662 165 HA CYS 19 HA CYS 19 -0.647 3.099 0.980 166 HB2 CYS 19 HB2 CYS 19 -2.077 2.260 2.875 167 HB3 CYS 19 HB1 CYS 19 -3.469 2.893 2.005 168 H SER 20 HN SER 20 -0.532 3.676 -1.028 169 HA SER 20 HA SER 20 -3.008 4.555 -2.357 170 HB2 SER 20 HB2 SER 20 -0.252 5.740 -2.742 171 HB3 SER 20 HB1 SER 20 -1.662 6.118 -3.727 172 HG SER 20 HG SER 20 -1.523 7.644 -2.114 173 H CYS 21 HN CYS 21 -3.510 3.185 -3.884 174 HA CYS 21 HA CYS 21 -1.358 1.900 -5.418 175 HB2 CYS 21 HB2 CYS 21 -4.003 0.686 -4.578 176 HB3 CYS 21 HB1 CYS 21 -2.895 -0.061 -5.721 177 H ILE 22 HN ILE 22 -1.416 2.324 -7.515 178 HA ILE 22 HA ILE 22 -3.901 2.985 -8.896 179 HB ILE 22 HB ILE 22 -2.633 5.198 -9.696 180 HG12 ILE 22 HG12 ILE 22 -1.603 6.309 -7.763 181 HG13 ILE 22 HG11 ILE 22 -1.806 4.848 -6.804 182 HG21 ILE 22 HG21 ILE 22 -4.192 5.183 -7.101 183 HG22 ILE 22 HG22 ILE 22 -4.112 6.466 -8.301 184 HG23 ILE 22 HG23 ILE 22 -4.959 4.967 -8.675 185 HD11 ILE 22 HD11 ILE 22 0.490 5.296 -7.996 186 HD12 ILE 22 HD12 ILE 22 -0.191 3.668 -8.022 187 HD13 ILE 22 HD13 ILE 22 -0.352 4.715 -9.432 188 H ARG 23 HN ARG 23 -3.702 3.107 -11.161 189 HA ARG 23 HA ARG 23 -1.519 1.550 -12.190 190 HB2 ARG 23 HB2 ARG 23 -2.687 2.005 -14.415 191 HB3 ARG 23 HB1 ARG 23 -3.604 1.110 -13.204 192 HG2 ARG 23 HG2 ARG 23 -4.839 3.071 -12.569 193 HG3 ARG 23 HG1 ARG 23 -3.797 4.112 -13.537 194 HD2 ARG 23 HD2 ARG 23 -4.600 3.121 -15.588 195 HD3 ARG 23 HD1 ARG 23 -5.489 1.887 -14.698 196 HE ARG 23 HE ARG 23 -6.476 4.304 -13.791 197 HH11 ARG 23 HH11 ARG 23 -6.135 2.655 -16.816 198 HH12 ARG 23 HH12 ARG 23 -7.546 3.369 -17.523 199 HH21 ARG 23 HH21 ARG 23 -8.326 5.247 -14.713 200 HH22 ARG 23 HH22 ARG 23 -8.786 4.837 -16.332 201 H LEU 24 HN LEU 24 -2.091 4.842 -11.724 202 HA LEU 24 HA LEU 24 0.265 5.503 -13.383 203 HB2 LEU 24 HB2 LEU 24 -2.304 7.074 -13.119 204 HB3 LEU 24 HB1 LEU 24 -0.827 7.733 -13.820 205 HG LEU 24 HG LEU 24 -2.181 5.200 -14.800 206 HD11 LEU 24 HD11 LEU 24 -3.734 6.811 -15.425 207 HD12 LEU 24 HD12 LEU 24 -2.517 8.081 -15.553 208 HD13 LEU 24 HD13 LEU 24 -2.639 6.848 -16.807 209 HD21 LEU 24 HD21 LEU 24 -0.101 4.976 -15.716 210 HD22 LEU 24 HD22 LEU 24 -0.702 6.165 -16.869 211 HD23 LEU 24 HD23 LEU 24 0.292 6.680 -15.508 212 H SER 25 HN SER 25 1.749 6.847 -12.500 213 HA SER 25 HA SER 25 1.428 7.458 -9.649 214 HB2 SER 25 HB2 SER 25 3.860 7.511 -11.447 215 HB3 SER 25 HB1 SER 25 3.873 7.896 -9.729 216 HG SER 25 HG SER 25 4.376 5.649 -10.387 217 H ARG 26 HN ARG 26 0.519 8.977 -12.287 218 HA ARG 26 HA ARG 26 1.782 11.469 -12.344 219 HB2 ARG 26 HB2 ARG 26 -0.240 12.277 -13.451 220 HB3 ARG 26 HB1 ARG 26 0.180 10.673 -14.053 221 HG2 ARG 26 HG2 ARG 26 -1.454 9.676 -12.461 222 HG3 ARG 26 HG1 ARG 26 -1.918 11.298 -11.949 223 HD2 ARG 26 HD2 ARG 26 -2.116 10.256 -14.784 224 HD3 ARG 26 HD1 ARG 26 -3.459 10.378 -13.657 225 HE ARG 26 HE ARG 26 -3.302 12.764 -13.780 226 HH11 ARG 26 HH11 ARG 26 -1.097 11.091 -15.898 227 HH12 ARG 26 HH12 ARG 26 -0.848 12.466 -16.918 228 HH21 ARG 26 HH21 ARG 26 -2.976 14.532 -15.138 229 HH22 ARG 26 HH22 ARG 26 -1.903 14.402 -16.492 230 H SER 27 HN SER 27 -0.573 10.173 -10.122 231 HA SER 27 HA SER 27 -0.156 12.399 -8.331 232 HB2 SER 27 HB2 SER 27 -2.572 12.957 -8.147 233 HB3 SER 27 HB1 SER 27 -1.905 13.360 -9.726 234 HG SER 27 HG SER 27 -3.319 12.051 -10.539 235 H THR 28 HN THR 28 0.620 10.851 -6.951 236 HA THR 28 HA THR 28 -0.797 8.490 -6.241 237 HB THR 28 HB THR 28 0.812 8.396 -4.374 238 HG1 THR 28 HG1 THR 28 0.822 10.699 -4.048 239 HG21 THR 28 HG21 THR 28 2.915 8.640 -5.864 240 HG22 THR 28 HG22 THR 28 1.673 7.496 -6.374 241 HG23 THR 28 HG23 THR 28 1.779 9.080 -7.140 242 H TYR 29 HN TYR 29 -0.646 11.756 -4.894 243 HA TYR 29 HA TYR 29 -3.183 11.371 -3.569 244 HB2 TYR 29 HB2 TYR 29 -1.756 10.398 -1.871 245 HB3 TYR 29 HB1 TYR 29 -0.672 11.789 -1.932 246 HD1 TYR 29 HD1 TYR 29 -4.260 10.900 -1.327 247 HD2 TYR 29 HD2 TYR 29 -1.034 13.613 -0.501 248 HE1 TYR 29 HE1 TYR 29 -5.674 12.074 0.337 249 HE2 TYR 29 HE2 TYR 29 -2.449 14.790 1.161 250 HH TYR 29 HH TYR 29 -5.295 13.506 2.386 251 H ALA 30 HN ALA 30 -4.265 13.257 -3.426 252 HA ALA 30 HA ALA 30 -2.826 15.791 -3.340 253 HB1 ALA 30 HB1 ALA 30 -3.067 16.324 -5.500 254 HB2 ALA 30 HB2 ALA 30 -3.745 14.726 -5.810 255 HB3 ALA 30 HB3 ALA 30 -4.808 16.068 -5.385 256 H SER 31 HN SER 31 -4.144 17.553 -2.716 257 HA SER 31 HA SER 31 -5.742 18.438 -1.300 258 HB2 SER 31 HB2 SER 31 -7.887 18.538 -2.280 259 HB3 SER 31 HB1 SER 31 -6.791 18.336 -3.645 260 HG SER 31 HG SER 31 -7.699 16.487 -4.036 261 H LEU 41 HN LEU 41 12.702 -1.903 2.606 262 HA LEU 41 HA LEU 41 11.080 -3.210 4.033 263 HB2 LEU 41 HB2 LEU 41 9.277 -0.911 3.230 264 HB3 LEU 41 HB1 LEU 41 8.818 -2.308 4.203 265 HG LEU 41 HG LEU 41 10.928 -0.263 4.959 266 HD11 LEU 41 HD11 LEU 41 8.502 0.491 5.017 267 HD12 LEU 41 HD12 LEU 41 8.224 -0.761 6.228 268 HD13 LEU 41 HD13 LEU 41 9.343 0.560 6.566 269 HD21 LEU 41 HD21 LEU 41 11.633 -2.128 6.123 270 HD22 LEU 41 HD22 LEU 41 10.392 -1.563 7.241 271 HD23 LEU 41 HD23 LEU 41 10.034 -2.870 6.113 272 H ARG 42 HN ARG 42 11.042 -1.576 0.969 273 HA ARG 42 HA ARG 42 10.409 -2.232 -1.141 274 HB2 ARG 42 HB2 ARG 42 10.766 -4.976 0.090 275 HB3 ARG 42 HB1 ARG 42 10.651 -4.641 -1.638 276 HG2 ARG 42 HG2 ARG 42 12.649 -3.182 -1.474 277 HG3 ARG 42 HG1 ARG 42 12.780 -3.576 0.240 278 HD2 ARG 42 HD2 ARG 42 12.993 -5.982 -0.361 279 HD3 ARG 42 HD1 ARG 42 12.953 -5.538 -2.064 280 HE ARG 42 HE ARG 42 14.993 -4.059 -0.799 281 HH11 ARG 42 HH11 ARG 42 14.146 -7.296 -1.679 282 HH12 ARG 42 HH12 ARG 42 15.787 -7.825 -1.856 283 HH21 ARG 42 HH21 ARG 42 17.149 -4.748 -1.019 284 HH22 ARG 42 HH22 ARG 42 17.485 -6.382 -1.482 285 H VAL 43 HN VAL 43 8.310 -1.628 0.684 286 HA VAL 43 HA VAL 43 6.252 -3.589 0.576 287 HB VAL 43 HB VAL 43 6.497 -1.533 2.150 288 HG11 VAL 43 HG11 VAL 43 4.782 -0.216 0.055 289 HG12 VAL 43 HG12 VAL 43 5.611 0.518 1.428 290 HG13 VAL 43 HG13 VAL 43 6.536 -0.024 0.027 291 HG21 VAL 43 HG21 VAL 43 3.782 -2.108 0.917 292 HG22 VAL 43 HG22 VAL 43 4.567 -3.156 2.096 293 HG23 VAL 43 HG23 VAL 43 4.096 -1.521 2.549 294 H ARG 44 HN ARG 44 7.553 -1.510 -1.732 295 HA ARG 44 HA ARG 44 5.227 -0.983 -3.304 296 HB2 ARG 44 HB2 ARG 44 8.176 -0.983 -3.991 297 HB3 ARG 44 HB1 ARG 44 6.906 -0.442 -5.088 298 HG2 ARG 44 HG2 ARG 44 6.224 1.289 -3.524 299 HG3 ARG 44 HG1 ARG 44 7.375 0.701 -2.322 300 HD2 ARG 44 HD2 ARG 44 8.309 2.641 -3.487 301 HD3 ARG 44 HD1 ARG 44 9.235 1.196 -3.881 302 HE ARG 44 HE ARG 44 8.468 1.354 -6.079 303 HH11 ARG 44 HH11 ARG 44 6.713 3.447 -3.958 304 HH12 ARG 44 HH12 ARG 44 5.907 4.296 -5.236 305 HH21 ARG 44 HH21 ARG 44 7.427 2.469 -7.762 306 HH22 ARG 44 HH22 ARG 44 6.313 3.742 -7.390 307 H ARG 45 HN ARG 45 4.224 -2.251 -4.751 308 HA ARG 45 HA ARG 45 5.613 -4.424 -6.062 309 HB2 ARG 45 HB2 ARG 45 3.938 -4.893 -3.720 310 HB3 ARG 45 HB1 ARG 45 3.390 -5.781 -5.133 311 HG2 ARG 45 HG2 ARG 45 5.575 -6.790 -5.438 312 HG3 ARG 45 HG1 ARG 45 6.268 -5.777 -4.177 313 HD2 ARG 45 HD2 ARG 45 3.939 -7.278 -3.251 314 HD3 ARG 45 HD1 ARG 45 5.236 -8.324 -3.815 315 HE ARG 45 HE ARG 45 6.256 -6.281 -2.104 316 HH11 ARG 45 HH11 ARG 45 4.478 -9.249 -2.169 317 HH12 ARG 45 HH12 ARG 45 4.939 -9.722 -0.568 318 HH21 ARG 45 HH21 ARG 45 6.858 -6.891 0.002 319 HH22 ARG 45 HH22 ARG 45 6.286 -8.387 0.661 320 H THR 46 HN THR 46 3.744 -5.798 -7.263 321 HA THR 46 HA THR 46 1.639 -4.004 -8.244 322 HB THR 46 HB THR 46 2.200 -4.589 -10.570 323 HG1 THR 46 HG1 THR 46 3.720 -6.347 -9.405 324 HG21 THR 46 HG21 THR 46 3.761 -2.888 -10.817 325 HG22 THR 46 HG22 THR 46 3.207 -2.566 -9.175 326 HG23 THR 46 HG23 THR 46 4.719 -3.433 -9.441 327 H LEU 47 HN LEU 47 0.480 -5.622 -6.875 328 HA LEU 47 HA LEU 47 -0.474 -7.805 -8.552 329 HB2 LEU 47 HB2 LEU 47 -0.176 -9.314 -6.397 330 HB3 LEU 47 HB1 LEU 47 1.079 -9.175 -7.629 331 HG LEU 47 HG LEU 47 1.261 -7.032 -5.618 332 HD11 LEU 47 HD11 LEU 47 1.548 -9.892 -4.693 333 HD12 LEU 47 HD12 LEU 47 1.986 -8.444 -3.778 334 HD13 LEU 47 HD13 LEU 47 0.303 -8.754 -4.185 335 HD21 LEU 47 HD21 LEU 47 3.115 -7.528 -7.112 336 HD22 LEU 47 HD22 LEU 47 3.597 -8.018 -5.499 337 HD23 LEU 47 HD23 LEU 47 3.097 -9.232 -6.658 338 H GLN 48 HN GLN 48 -0.632 -7.783 -5.088 339 HA GLN 48 HA GLN 48 -3.490 -7.092 -5.190 340 HB2 GLN 48 HB2 GLN 48 -2.497 -9.514 -4.379 341 HB3 GLN 48 HB1 GLN 48 -2.508 -8.607 -2.864 342 HG2 GLN 48 HG2 GLN 48 -4.877 -7.976 -3.288 343 HG3 GLN 48 HG1 GLN 48 -4.863 -9.007 -4.718 344 HE21 GLN 48 HE21 GLN 48 -6.499 -9.365 -2.242 345 HE22 GLN 48 HE22 GLN 48 -6.076 -10.890 -1.628 346 H CYS 49 HN CYS 49 -3.999 -5.388 -4.089 347 HA CYS 49 HA CYS 49 -2.046 -4.250 -2.209 348 HB2 CYS 49 HB2 CYS 49 -2.224 -2.956 -4.186 349 HB3 CYS 49 HB1 CYS 49 -3.989 -3.021 -4.112 350 H SER 50 HN SER 50 -2.619 -4.043 -0.208 351 HA SER 50 HA SER 50 -5.432 -3.572 0.421 352 HB2 SER 50 HB2 SER 50 -3.630 -5.553 1.849 353 HB3 SER 50 HB1 SER 50 -5.240 -5.088 2.387 354 HG SER 50 HG SER 50 -4.974 -5.915 -0.255 355 H CYS 51 HN CYS 51 -5.715 -2.372 2.435 356 HA CYS 51 HA CYS 51 -3.216 -1.164 3.445 357 HB2 CYS 51 HB2 CYS 51 -5.777 0.378 3.072 358 HB3 CYS 51 HB1 CYS 51 -4.161 1.012 3.378 359 H ARG 52 HN ARG 52 -3.220 -0.504 5.668 360 HA ARG 52 HA ARG 52 -5.614 -1.325 7.205 361 HB2 ARG 52 HB2 ARG 52 -4.453 -3.121 7.859 362 HB3 ARG 52 HB1 ARG 52 -2.897 -2.443 7.384 363 HG2 ARG 52 HG2 ARG 52 -2.773 -1.155 9.416 364 HG3 ARG 52 HG1 ARG 52 -4.437 -1.557 9.838 365 HD2 ARG 52 HD2 ARG 52 -3.862 -3.860 10.204 366 HD3 ARG 52 HD1 ARG 52 -2.250 -3.620 9.534 367 HE ARG 52 HE ARG 52 -2.522 -1.846 11.679 368 HH11 ARG 52 HH11 ARG 52 -2.523 -5.254 11.070 369 HH12 ARG 52 HH12 ARG 52 -1.894 -5.671 12.629 370 HH21 ARG 52 HH21 ARG 52 -1.700 -2.383 13.720 371 HH22 ARG 52 HH22 ARG 52 -1.427 -4.043 14.132 372 H ARG 53 HN ARG 53 -6.148 -0.098 8.894 373 HA ARG 53 HA ARG 53 -5.343 2.570 9.006 374 HB2 ARG 53 HB2 ARG 53 -7.435 1.787 9.945 375 HB3 ARG 53 HB1 ARG 53 -6.542 0.987 11.229 376 HG2 ARG 53 HG2 ARG 53 -5.843 3.003 12.190 377 HG3 ARG 53 HG1 ARG 53 -6.143 3.916 10.709 378 HD2 ARG 53 HD2 ARG 53 -8.515 3.693 10.968 379 HD3 ARG 53 HD1 ARG 53 -8.326 2.593 12.331 380 HE ARG 53 HE ARG 53 -7.888 4.437 13.690 381 HH11 ARG 53 HH11 ARG 53 -7.811 5.279 10.337 382 HH12 ARG 53 HH12 ARG 53 -7.775 6.986 10.626 383 HH21 ARG 53 HH21 ARG 53 -7.882 6.670 14.079 384 HH22 ARG 53 HH22 ARG 53 -7.816 7.775 12.747 385 H VAL 54 HN VAL 54 -4.011 3.706 10.111 386 HA VAL 54 HA VAL 54 -2.461 2.988 12.364 387 HB VAL 54 HB VAL 54 -1.502 1.414 10.683 388 HG11 VAL 54 HG11 VAL 54 -1.695 3.677 8.993 389 HG12 VAL 54 HG12 VAL 54 0.026 3.323 9.174 390 HG13 VAL 54 HG13 VAL 54 -1.080 2.085 8.606 391 HG21 VAL 54 HG21 VAL 54 0.783 3.191 10.964 392 HG22 VAL 54 HG22 VAL 54 -0.133 3.047 12.465 393 HG23 VAL 54 HG23 VAL 54 0.507 1.605 11.676 394 H CYS 55 HN CYS 55 -3.590 5.276 12.329 395 HA CYS 55 HA CYS 55 -3.346 7.551 12.414 396 HB2 CYS 55 HB2 CYS 55 -1.184 7.396 13.386 397 HB3 CYS 55 HB1 CYS 55 -0.453 6.862 11.897 398 H ARG 56 HN ARG 56 -2.748 5.739 9.679 399 HA ARG 56 HA ARG 56 -3.888 7.572 7.907 400 HB2 ARG 56 HB2 ARG 56 -1.265 8.285 8.521 401 HB3 ARG 56 HB1 ARG 56 -1.135 7.403 6.999 402 HG2 ARG 56 HG2 ARG 56 -1.573 9.611 6.284 403 HG3 ARG 56 HG1 ARG 56 -3.154 8.861 6.217 404 HD2 ARG 56 HD2 ARG 56 -3.789 9.853 8.325 405 HD3 ARG 56 HD1 ARG 56 -2.147 10.418 8.617 406 HE ARG 56 HE ARG 56 -3.031 11.535 6.196 407 HH11 ARG 56 HH11 ARG 56 -3.728 11.586 9.586 408 HH12 ARG 56 HH12 ARG 56 -4.318 13.214 9.581 409 HH21 ARG 56 HH21 ARG 56 -3.809 13.676 6.187 410 HH22 ARG 56 HH22 ARG 56 -4.364 14.393 7.662 411 H ASN 57 HN ASN 57 -3.906 4.771 8.415 412 HA ASN 57 HA ASN 57 -3.982 2.828 7.237 413 HB2 ASN 57 HB2 ASN 57 -4.533 4.880 5.389 414 HB3 ASN 57 HB1 ASN 57 -3.463 3.735 4.607 415 HD21 ASN 57 HD21 ASN 57 -4.303 1.319 5.852 416 HD22 ASN 57 HD22 ASN 57 -5.915 1.012 5.414 417 H THR 58 HN THR 58 -2.644 1.305 6.409 418 HA THR 58 HA THR 58 0.215 1.945 6.034 419 HB THR 58 HB THR 58 -0.032 -0.817 6.562 420 HG1 THR 58 HG1 THR 58 -2.002 -0.440 7.546 421 HG21 THR 58 HG21 THR 58 1.937 0.332 7.172 422 HG22 THR 58 HG22 THR 58 1.066 1.508 8.147 423 HG23 THR 58 HG23 THR 58 1.206 -0.160 8.697 424 H CYS 59 HN CYS 59 1.346 0.274 4.749 425 HA CYS 59 HA CYS 59 -0.277 -0.392 2.375 426 HB2 CYS 59 HB2 CYS 59 2.625 0.196 2.862 427 HB3 CYS 59 HB1 CYS 59 2.088 -0.571 1.370 428 H SER 60 HN SER 60 -0.816 -2.468 2.280 429 HA SER 60 HA SER 60 1.270 -4.471 2.830 430 HB2 SER 60 HB2 SER 60 -1.661 -4.734 3.551 431 HB3 SER 60 HB1 SER 60 -0.442 -5.997 3.713 432 HG SER 60 HG SER 60 -0.901 -3.727 5.237 433 H CYS 61 HN CYS 61 1.753 -5.094 0.834 434 HA CYS 61 HA CYS 61 -0.477 -5.861 -0.927 435 HB2 CYS 61 HB2 CYS 61 2.187 -4.700 -1.801 436 HB3 CYS 61 HB1 CYS 61 0.879 -5.203 -2.866 437 H ILE 62 HN ILE 62 -0.407 -7.902 -1.683 438 HA ILE 62 HA ILE 62 2.058 -9.430 -1.710 439 HB ILE 62 HB ILE 62 0.902 -11.132 -0.009 440 HG12 ILE 62 HG12 ILE 62 -0.197 -9.961 1.819 441 HG13 ILE 62 HG11 ILE 62 -0.019 -8.426 0.984 442 HG21 ILE 62 HG21 ILE 62 2.188 -8.807 1.364 443 HG22 ILE 62 HG22 ILE 62 2.494 -10.529 1.553 444 HG23 ILE 62 HG23 ILE 62 3.149 -9.668 0.164 445 HD11 ILE 62 HD11 ILE 62 -2.292 -9.708 0.829 446 HD12 ILE 62 HD12 ILE 62 -1.627 -8.969 -0.627 447 HD13 ILE 62 HD13 ILE 62 -1.448 -10.699 -0.352 448 H ARG 63 HN ARG 63 1.871 -11.465 -2.673 449 HA ARG 63 HA ARG 63 -0.315 -11.702 -4.464 450 HB2 ARG 63 HB2 ARG 63 1.959 -12.388 -5.071 451 HB3 ARG 63 HB1 ARG 63 1.895 -13.654 -3.843 452 HG2 ARG 63 HG2 ARG 63 0.036 -14.732 -4.983 453 HG3 ARG 63 HG1 ARG 63 -0.039 -13.418 -6.160 454 HD2 ARG 63 HD2 ARG 63 2.398 -15.152 -5.729 455 HD3 ARG 63 HD1 ARG 63 1.181 -15.455 -6.954 456 HE ARG 63 HE ARG 63 3.189 -13.370 -7.005 457 HH11 ARG 63 HH11 ARG 63 0.125 -14.503 -8.155 458 HH12 ARG 63 HH12 ARG 63 0.171 -13.568 -9.613 459 HH21 ARG 63 HH21 ARG 63 3.255 -12.143 -8.919 460 HH22 ARG 63 HH22 ARG 63 1.942 -12.232 -10.045 461 H LEU 64 HN LEU 64 0.654 -13.364 -1.558 462 HA LEU 64 HA LEU 64 -1.562 -15.239 -1.696 463 HB2 LEU 64 HB2 LEU 64 0.463 -14.740 0.500 464 HB3 LEU 64 HB1 LEU 64 -0.675 -16.085 0.442 465 HG LEU 64 HG LEU 64 1.462 -15.514 -1.636 466 HD11 LEU 64 HD11 LEU 64 2.636 -16.307 0.237 467 HD12 LEU 64 HD12 LEU 64 1.314 -17.361 0.736 468 HD13 LEU 64 HD13 LEU 64 2.297 -17.785 -0.665 469 HD21 LEU 64 HD21 LEU 64 0.750 -18.055 -2.081 470 HD22 LEU 64 HD22 LEU 64 -0.779 -17.484 -1.415 471 HD23 LEU 64 HD23 LEU 64 -0.099 -16.715 -2.848 472 H SER 65 HN SER 65 -3.480 -15.064 -0.687 473 HA SER 65 HA SER 65 -4.381 -12.593 0.312 474 HB2 SER 65 HB2 SER 65 -6.394 -13.811 0.982 475 HB3 SER 65 HB1 SER 65 -5.871 -14.328 -0.619 476 HG SER 65 HG SER 65 -4.615 -15.814 1.183 477 H ARG 66 HN ARG 66 -2.927 -15.357 1.906 478 HA ARG 66 HA ARG 66 -3.639 -14.546 4.565 479 HB2 ARG 66 HB2 ARG 66 -1.516 -16.458 3.566 480 HB3 ARG 66 HB1 ARG 66 -1.961 -16.243 5.260 481 HG2 ARG 66 HG2 ARG 66 -4.298 -16.871 4.709 482 HG3 ARG 66 HG1 ARG 66 -3.811 -17.148 3.036 483 HD2 ARG 66 HD2 ARG 66 -3.810 -19.281 4.189 484 HD3 ARG 66 HD1 ARG 66 -2.141 -18.826 3.857 485 HE ARG 66 HE ARG 66 -1.793 -18.599 6.151 486 HH11 ARG 66 HH11 ARG 66 -5.160 -18.842 5.391 487 HH12 ARG 66 HH12 ARG 66 -5.663 -19.006 7.041 488 HH21 ARG 66 HH21 ARG 66 -2.445 -18.809 8.317 489 HH22 ARG 66 HH22 ARG 66 -4.125 -18.987 8.697 490 H SER 67 HN SER 67 -2.364 -13.560 6.123 491 HA SER 67 HA SER 67 -0.715 -12.208 6.992 492 HB2 SER 67 HB2 SER 67 0.745 -13.929 5.603 493 HB3 SER 67 HB1 SER 67 1.004 -12.527 4.568 494 HG SER 67 HG SER 67 1.968 -13.080 7.062 495 H THR 68 HN THR 68 -1.769 -10.323 6.938 496 HA THR 68 HA THR 68 -1.440 -8.651 4.521 497 HB THR 68 HB THR 68 -3.485 -7.513 5.198 498 HG1 THR 68 HG1 THR 68 -3.733 -7.653 7.300 499 HG21 THR 68 HG21 THR 68 -3.688 -9.477 3.745 500 HG22 THR 68 HG22 THR 68 -3.756 -10.527 5.161 501 HG23 THR 68 HG23 THR 68 -5.064 -9.388 4.844 502 H TYR 69 HN TYR 69 -0.710 -9.029 7.836 503 HA TYR 69 HA TYR 69 0.551 -6.375 7.876 504 HB2 TYR 69 HB2 TYR 69 -1.577 -6.013 8.995 505 HB3 TYR 69 HB1 TYR 69 -1.308 -7.417 10.028 506 HD1 TYR 69 HD1 TYR 69 0.021 -4.031 9.167 507 HD2 TYR 69 HD2 TYR 69 0.010 -7.267 11.996 508 HE1 TYR 69 HE1 TYR 69 1.264 -2.624 10.782 509 HE2 TYR 69 HE2 TYR 69 1.254 -5.857 13.611 510 HH TYR 69 HH TYR 69 1.411 -3.067 13.872 511 H ALA 70 HN ALA 70 2.535 -6.407 8.775 512 HA ALA 70 HA ALA 70 4.440 -7.201 9.782 513 HB1 ALA 70 HB1 ALA 70 4.226 -8.239 11.879 514 HB2 ALA 70 HB2 ALA 70 2.744 -7.296 11.730 515 HB3 ALA 70 HB3 ALA 70 2.716 -9.034 11.432 516 H SER 71 HN SER 71 3.737 -8.385 7.373 517 HA SER 71 HA SER 71 3.867 -11.259 7.579 518 HB2 SER 71 HB2 SER 71 4.415 -9.630 5.103 519 HB3 SER 71 HB1 SER 71 3.792 -11.273 5.213 520 HG SER 71 HG SER 71 2.276 -9.390 4.848 Start of MODEL 4 1 H LEU 1 HN LEU 1 -8.651 7.283 -1.636 2 HA LEU 1 HA LEU 1 -10.766 6.253 -2.508 3 HB2 LEU 1 HB2 LEU 1 -11.163 6.793 -4.974 4 HB3 LEU 1 HB1 LEU 1 -11.561 8.068 -3.821 5 HG LEU 1 HG LEU 1 -8.766 8.178 -4.662 6 HD11 LEU 1 HD11 LEU 1 -9.328 9.046 -6.960 7 HD12 LEU 1 HD12 LEU 1 -9.576 7.309 -6.772 8 HD13 LEU 1 HD13 LEU 1 -10.957 8.406 -6.745 9 HD21 LEU 1 HD21 LEU 1 -9.320 10.529 -4.954 10 HD22 LEU 1 HD22 LEU 1 -11.045 10.162 -4.934 11 HD23 LEU 1 HD23 LEU 1 -10.082 9.955 -3.471 12 H ARG 2 HN ARG 2 -10.701 4.348 -3.783 13 HA ARG 2 HA ARG 2 -9.643 2.474 -4.592 14 HB2 ARG 2 HB2 ARG 2 -9.453 4.287 -6.491 15 HB3 ARG 2 HB1 ARG 2 -7.738 4.236 -6.094 16 HG2 ARG 2 HG2 ARG 2 -7.812 2.546 -7.668 17 HG3 ARG 2 HG1 ARG 2 -8.163 1.604 -6.218 18 HD2 ARG 2 HD2 ARG 2 -9.817 0.984 -7.833 19 HD3 ARG 2 HD1 ARG 2 -10.626 2.033 -6.673 20 HE ARG 2 HE ARG 2 -9.596 3.565 -8.842 21 HH11 ARG 2 HH11 ARG 2 -12.081 1.321 -7.966 22 HH12 ARG 2 HH12 ARG 2 -13.214 1.906 -9.138 23 HH21 ARG 2 HH21 ARG 2 -11.075 4.337 -10.380 24 HH22 ARG 2 HH22 ARG 2 -12.644 3.613 -10.505 25 H VAL 3 HN VAL 3 -8.809 2.594 -2.186 26 HA VAL 3 HA VAL 3 -5.856 2.719 -2.189 27 HB VAL 3 HB VAL 3 -7.128 4.154 -0.549 28 HG11 VAL 3 HG11 VAL 3 -7.654 1.842 1.203 29 HG12 VAL 3 HG12 VAL 3 -8.632 3.280 0.905 30 HG13 VAL 3 HG13 VAL 3 -8.689 1.926 -0.222 31 HG21 VAL 3 HG21 VAL 3 -5.770 2.364 1.311 32 HG22 VAL 3 HG22 VAL 3 -4.810 2.622 -0.144 33 HG23 VAL 3 HG23 VAL 3 -5.335 4.000 0.825 34 H ARG 4 HN ARG 4 -6.762 0.514 -3.435 35 HA ARG 4 HA ARG 4 -5.765 -1.632 -1.838 36 HB2 ARG 4 HB2 ARG 4 -8.239 -1.210 -1.082 37 HB3 ARG 4 HB1 ARG 4 -8.634 -2.041 -2.587 38 HG2 ARG 4 HG2 ARG 4 -6.949 -3.841 -1.804 39 HG3 ARG 4 HG1 ARG 4 -7.079 -3.079 -0.222 40 HD2 ARG 4 HD2 ARG 4 -8.687 -4.856 -0.271 41 HD3 ARG 4 HD1 ARG 4 -9.580 -3.344 -0.397 42 HE ARG 4 HE ARG 4 -8.939 -4.401 -2.980 43 HH11 ARG 4 HH11 ARG 4 -11.024 -4.714 -0.238 44 HH12 ARG 4 HH12 ARG 4 -12.341 -5.388 -1.139 45 HH21 ARG 4 HH21 ARG 4 -10.659 -5.287 -4.172 46 HH22 ARG 4 HH22 ARG 4 -12.133 -5.712 -3.369 47 H ARG 5 HN ARG 5 -7.673 -3.404 -3.380 48 HA ARG 5 HA ARG 5 -7.702 -4.604 -5.326 49 HB2 ARG 5 HB2 ARG 5 -6.709 -2.058 -6.572 50 HB3 ARG 5 HB1 ARG 5 -7.479 -3.394 -7.412 51 HG2 ARG 5 HG2 ARG 5 -8.848 -1.847 -5.197 52 HG3 ARG 5 HG1 ARG 5 -8.978 -1.389 -6.892 53 HD2 ARG 5 HD2 ARG 5 -9.879 -3.664 -7.396 54 HD3 ARG 5 HD1 ARG 5 -9.845 -4.032 -5.678 55 HE ARG 5 HE ARG 5 -11.714 -2.252 -7.026 56 HH11 ARG 5 HH11 ARG 5 -10.302 -3.372 -4.068 57 HH12 ARG 5 HH12 ARG 5 -11.624 -2.849 -3.079 58 HH21 ARG 5 HH21 ARG 5 -13.459 -1.577 -5.730 59 HH22 ARG 5 HH22 ARG 5 -13.407 -1.835 -4.018 60 H THR 6 HN THR 6 -5.711 -3.703 -7.506 61 HA THR 6 HA THR 6 -3.256 -4.890 -6.363 62 HB THR 6 HB THR 6 -3.066 -6.240 -8.482 63 HG1 THR 6 HG1 THR 6 -4.481 -5.227 -9.805 64 HG21 THR 6 HG21 THR 6 -4.622 -6.740 -6.155 65 HG22 THR 6 HG22 THR 6 -5.528 -7.372 -7.527 66 HG23 THR 6 HG23 THR 6 -3.881 -7.922 -7.232 67 H LEU 7 HN LEU 7 -4.311 -4.014 -9.599 68 HA LEU 7 HA LEU 7 -2.834 -3.106 -11.240 69 HB2 LEU 7 HB2 LEU 7 -3.321 -0.555 -10.963 70 HB3 LEU 7 HB1 LEU 7 -4.605 -1.698 -11.335 71 HG LEU 7 HG LEU 7 -4.092 -1.374 -8.440 72 HD11 LEU 7 HD11 LEU 7 -4.872 0.959 -10.148 73 HD12 LEU 7 HD12 LEU 7 -5.419 0.819 -8.479 74 HD13 LEU 7 HD13 LEU 7 -3.696 0.863 -8.833 75 HD21 LEU 7 HD21 LEU 7 -6.057 -2.580 -9.086 76 HD22 LEU 7 HD22 LEU 7 -6.632 -1.003 -8.568 77 HD23 LEU 7 HD23 LEU 7 -6.512 -1.364 -10.279 78 H GLN 8 HN GLN 8 -2.384 -0.306 -9.263 79 HA GLN 8 HA GLN 8 0.515 -0.863 -9.117 80 HB2 GLN 8 HB2 GLN 8 -0.607 1.012 -10.793 81 HB3 GLN 8 HB1 GLN 8 -0.267 1.958 -9.343 82 HG2 GLN 8 HG2 GLN 8 1.715 2.091 -10.631 83 HG3 GLN 8 HG1 GLN 8 2.058 0.908 -9.368 84 HE21 GLN 8 HE21 GLN 8 3.741 0.250 -11.144 85 HE22 GLN 8 HE22 GLN 8 3.216 -0.888 -12.290 86 H CYS 9 HN CYS 9 1.410 -0.455 -7.236 87 HA CYS 9 HA CYS 9 -0.246 0.778 -5.157 88 HB2 CYS 9 HB2 CYS 9 -0.096 -1.522 -4.743 89 HB3 CYS 9 HB1 CYS 9 1.627 -1.553 -5.096 90 H SER 10 HN SER 10 0.405 2.552 -4.336 91 HA SER 10 HA SER 10 3.294 3.126 -4.148 92 HB2 SER 10 HB2 SER 10 1.067 5.069 -4.814 93 HB3 SER 10 HB1 SER 10 2.751 5.504 -4.539 94 HG SER 10 HG SER 10 1.664 4.788 -6.794 95 H CYS 11 HN CYS 11 3.951 4.040 -2.237 96 HA CYS 11 HA CYS 11 1.891 4.655 -0.222 97 HB2 CYS 11 HB2 CYS 11 4.360 3.116 0.506 98 HB3 CYS 11 HB1 CYS 11 2.824 3.212 1.363 99 H ARG 12 HN ARG 12 2.740 5.995 1.562 100 HA ARG 12 HA ARG 12 5.366 7.256 1.075 101 HB2 ARG 12 HB2 ARG 12 4.481 9.504 0.993 102 HB3 ARG 12 HB1 ARG 12 3.670 8.554 -0.251 103 HG2 ARG 12 HG2 ARG 12 1.774 8.172 1.336 104 HG3 ARG 12 HG1 ARG 12 2.560 9.249 2.489 105 HD2 ARG 12 HD2 ARG 12 1.776 10.047 -0.321 106 HD3 ARG 12 HD1 ARG 12 0.830 10.396 1.118 107 HE ARG 12 HE ARG 12 2.549 11.883 1.857 108 HH11 ARG 12 HH11 ARG 12 3.155 10.474 -1.270 109 HH12 ARG 12 HH12 ARG 12 4.312 11.678 -1.722 110 HH21 ARG 12 HH21 ARG 12 4.042 13.455 1.235 111 HH22 ARG 12 HH22 ARG 12 4.814 13.356 -0.313 112 H ARG 13 HN ARG 13 6.300 8.141 2.921 113 HA ARG 13 HA ARG 13 5.588 7.125 5.392 114 HB2 ARG 13 HB2 ARG 13 7.797 7.988 4.815 115 HB3 ARG 13 HB1 ARG 13 7.142 9.618 4.909 116 HG2 ARG 13 HG2 ARG 13 6.593 9.354 7.225 117 HG3 ARG 13 HG1 ARG 13 6.955 7.630 7.172 118 HD2 ARG 13 HD2 ARG 13 8.800 8.716 8.181 119 HD3 ARG 13 HD1 ARG 13 9.315 8.229 6.578 120 HE ARG 13 HE ARG 13 8.308 10.875 6.479 121 HH11 ARG 13 HH11 ARG 13 10.956 9.005 7.685 122 HH12 ARG 13 HH12 ARG 13 12.097 10.304 7.589 123 HH21 ARG 13 HH21 ARG 13 9.805 12.582 6.337 124 HH22 ARG 13 HH22 ARG 13 11.447 12.328 6.827 125 H VAL 14 HN VAL 14 4.679 7.923 7.178 126 HA VAL 14 HA VAL 14 3.648 10.466 7.693 127 HB VAL 14 HB VAL 14 2.181 10.143 5.830 128 HG11 VAL 14 HG11 VAL 14 1.746 7.435 7.073 129 HG12 VAL 14 HG12 VAL 14 0.541 8.147 6.005 130 HG13 VAL 14 HG13 VAL 14 2.166 7.856 5.419 131 HG21 VAL 14 HG21 VAL 14 0.323 10.879 6.897 132 HG22 VAL 14 HG22 VAL 14 0.218 9.429 7.896 133 HG23 VAL 14 HG23 VAL 14 1.303 10.739 8.356 134 H CYS 15 HN CYS 15 4.799 9.142 9.554 135 HA CYS 15 HA CYS 15 4.532 8.391 11.711 136 HB2 CYS 15 HB2 CYS 15 2.627 8.980 12.740 137 HB3 CYS 15 HB1 CYS 15 1.964 9.419 11.173 138 H ARG 16 HN ARG 16 3.339 6.813 8.995 139 HA ARG 16 HA ARG 16 4.314 4.292 9.733 140 HB2 ARG 16 HB2 ARG 16 1.832 4.832 10.914 141 HB3 ARG 16 HB1 ARG 16 1.458 3.849 9.502 142 HG2 ARG 16 HG2 ARG 16 1.891 2.181 11.105 143 HG3 ARG 16 HG1 ARG 16 3.461 2.347 10.346 144 HD2 ARG 16 HD2 ARG 16 2.772 4.023 12.766 145 HD3 ARG 16 HD1 ARG 16 3.319 2.363 12.955 146 HE ARG 16 HE ARG 16 4.909 4.612 11.996 147 HH11 ARG 16 HH11 ARG 16 4.558 1.190 12.431 148 HH12 ARG 16 HH12 ARG 16 6.253 0.867 12.305 149 HH21 ARG 16 HH21 ARG 16 7.126 4.186 11.816 150 HH22 ARG 16 HH22 ARG 16 7.706 2.560 11.955 151 H ASN 17 HN ASN 17 3.964 6.204 7.539 152 HA ASN 17 HA ASN 17 3.763 6.060 5.270 153 HB2 ASN 17 HB2 ASN 17 4.703 3.679 5.915 154 HB3 ASN 17 HB1 ASN 17 3.119 3.187 5.351 155 HD21 ASN 17 HD21 ASN 17 5.579 2.528 3.952 156 HD22 ASN 17 HD22 ASN 17 5.532 3.315 2.450 157 H THR 18 HN THR 18 2.224 6.030 3.688 158 HA THR 18 HA THR 18 -0.539 5.497 4.546 159 HB THR 18 HB THR 18 -0.472 7.216 2.251 160 HG1 THR 18 HG1 THR 18 1.601 7.761 3.257 161 HG21 THR 18 HG21 THR 18 -1.434 7.550 5.099 162 HG22 THR 18 HG22 THR 18 -1.720 8.739 3.837 163 HG23 THR 18 HG23 THR 18 -2.383 7.115 3.684 164 H CYS 19 HN CYS 19 -1.978 4.858 2.831 165 HA CYS 19 HA CYS 19 -0.600 3.186 0.823 166 HB2 CYS 19 HB2 CYS 19 -1.981 2.211 2.739 167 HB3 CYS 19 HB1 CYS 19 -3.386 2.861 1.917 168 H SER 20 HN SER 20 -0.982 3.509 -1.255 169 HA SER 20 HA SER 20 -3.500 4.656 -2.155 170 HB2 SER 20 HB2 SER 20 -0.839 5.963 -2.772 171 HB3 SER 20 HB1 SER 20 -2.386 6.400 -3.493 172 HG SER 20 HG SER 20 -2.796 7.518 -1.768 173 H CYS 21 HN CYS 21 -4.088 3.141 -3.604 174 HA CYS 21 HA CYS 21 -2.038 2.225 -5.514 175 HB2 CYS 21 HB2 CYS 21 -4.397 0.661 -4.438 176 HB3 CYS 21 HB1 CYS 21 -3.335 0.104 -5.722 177 H ILE 22 HN ILE 22 -2.401 2.672 -7.565 178 HA ILE 22 HA ILE 22 -5.095 3.105 -8.596 179 HB ILE 22 HB ILE 22 -4.121 5.422 -9.502 180 HG12 ILE 22 HG12 ILE 22 -2.836 6.573 -7.769 181 HG13 ILE 22 HG11 ILE 22 -2.843 5.124 -6.766 182 HG21 ILE 22 HG21 ILE 22 -5.223 5.241 -6.687 183 HG22 ILE 22 HG22 ILE 22 -5.438 6.548 -7.844 184 HG23 ILE 22 HG23 ILE 22 -6.226 4.997 -8.117 185 HD11 ILE 22 HD11 ILE 22 -0.763 5.662 -8.298 186 HD12 ILE 22 HD12 ILE 22 -1.332 4.003 -8.144 187 HD13 ILE 22 HD13 ILE 22 -1.761 4.955 -9.562 188 H ARG 23 HN ARG 23 -5.071 3.677 -10.949 189 HA ARG 23 HA ARG 23 -3.101 2.038 -12.281 190 HB2 ARG 23 HB2 ARG 23 -5.432 3.640 -13.343 191 HB3 ARG 23 HB1 ARG 23 -4.407 2.600 -14.332 192 HG2 ARG 23 HG2 ARG 23 -4.990 0.682 -12.838 193 HG3 ARG 23 HG1 ARG 23 -6.108 1.740 -11.976 194 HD2 ARG 23 HD2 ARG 23 -7.348 2.139 -14.068 195 HD3 ARG 23 HD1 ARG 23 -6.234 1.085 -14.933 196 HE ARG 23 HE ARG 23 -7.296 -0.761 -13.970 197 HH11 ARG 23 HH11 ARG 23 -8.282 2.216 -12.510 198 HH12 ARG 23 HH12 ARG 23 -9.585 1.508 -11.615 199 HH21 ARG 23 HH21 ARG 23 -8.998 -1.701 -12.791 200 HH22 ARG 23 HH22 ARG 23 -9.989 -0.711 -11.774 201 H LEU 24 HN LEU 24 -3.304 5.248 -11.380 202 HA LEU 24 HA LEU 24 -1.281 6.017 -13.413 203 HB2 LEU 24 HB2 LEU 24 -3.305 7.828 -12.081 204 HB3 LEU 24 HB1 LEU 24 -2.091 8.312 -13.266 205 HG LEU 24 HG LEU 24 -4.308 6.299 -13.760 206 HD11 LEU 24 HD11 LEU 24 -4.028 9.237 -14.258 207 HD12 LEU 24 HD12 LEU 24 -4.879 8.261 -15.454 208 HD13 LEU 24 HD13 LEU 24 -5.454 8.312 -13.787 209 HD21 LEU 24 HD21 LEU 24 -1.963 7.278 -15.351 210 HD22 LEU 24 HD22 LEU 24 -2.668 5.664 -15.274 211 HD23 LEU 24 HD23 LEU 24 -3.467 6.931 -16.204 212 H SER 25 HN SER 25 0.649 6.340 -12.595 213 HA SER 25 HA SER 25 1.231 6.367 -9.834 214 HB2 SER 25 HB2 SER 25 2.884 7.239 -12.209 215 HB3 SER 25 HB1 SER 25 3.510 7.100 -10.569 216 HG SER 25 HG SER 25 2.802 5.144 -12.396 217 H ARG 26 HN ARG 26 0.872 8.988 -12.193 218 HA ARG 26 HA ARG 26 1.714 11.076 -10.468 219 HB2 ARG 26 HB2 ARG 26 -0.104 11.119 -12.886 220 HB3 ARG 26 HB1 ARG 26 0.529 12.558 -12.087 221 HG2 ARG 26 HG2 ARG 26 2.809 11.892 -12.565 222 HG3 ARG 26 HG1 ARG 26 2.265 10.344 -13.211 223 HD2 ARG 26 HD2 ARG 26 1.492 13.038 -14.361 224 HD3 ARG 26 HD1 ARG 26 2.784 12.022 -14.995 225 HE ARG 26 HE ARG 26 0.496 10.433 -14.896 226 HH11 ARG 26 HH11 ARG 26 1.586 13.350 -16.406 227 HH12 ARG 26 HH12 ARG 26 0.610 13.145 -17.822 228 HH21 ARG 26 HH21 ARG 26 -0.782 10.153 -16.756 229 HH22 ARG 26 HH22 ARG 26 -0.730 11.335 -18.020 230 H SER 27 HN SER 27 0.580 12.445 -9.146 231 HA SER 27 HA SER 27 -1.042 13.071 -7.645 232 HB2 SER 27 HB2 SER 27 -2.179 13.404 -9.996 233 HB3 SER 27 HB1 SER 27 -3.157 12.029 -9.493 234 HG SER 27 HG SER 27 -2.833 14.538 -8.216 235 H THR 28 HN THR 28 -1.027 11.898 -5.879 236 HA THR 28 HA THR 28 -2.581 9.392 -5.855 237 HB THR 28 HB THR 28 -0.796 8.657 -4.119 238 HG1 THR 28 HG1 THR 28 0.868 9.897 -3.969 239 HG21 THR 28 HG21 THR 28 -0.906 7.364 -6.059 240 HG22 THR 28 HG22 THR 28 -0.544 8.735 -7.107 241 HG23 THR 28 HG23 THR 28 0.737 8.001 -6.144 242 H TYR 29 HN TYR 29 -0.764 10.360 -3.099 243 HA TYR 29 HA TYR 29 -3.006 10.498 -1.409 244 HB2 TYR 29 HB2 TYR 29 -0.842 10.018 -0.477 245 HB3 TYR 29 HB1 TYR 29 -0.201 11.560 -1.043 246 HD1 TYR 29 HD1 TYR 29 -3.107 10.276 0.956 247 HD2 TYR 29 HD2 TYR 29 -0.094 13.301 0.515 248 HE1 TYR 29 HE1 TYR 29 -3.877 11.347 3.055 249 HE2 TYR 29 HE2 TYR 29 -0.867 14.377 2.608 250 HH TYR 29 HH TYR 29 -3.621 13.049 4.447 251 H ALA 30 HN ALA 30 -1.022 13.106 -2.791 252 HA ALA 30 HA ALA 30 -3.148 15.014 -2.037 253 HB1 ALA 30 HB1 ALA 30 -0.865 16.422 -2.900 254 HB2 ALA 30 HB2 ALA 30 -1.465 16.265 -1.249 255 HB3 ALA 30 HB3 ALA 30 -0.274 15.121 -1.866 256 H SER 31 HN SER 31 -4.230 16.089 -3.593 257 HA SER 31 HA SER 31 -4.079 15.255 -6.294 258 HB2 SER 31 HB2 SER 31 -5.434 17.623 -4.993 259 HB3 SER 31 HB1 SER 31 -5.614 17.217 -6.698 260 HG SER 31 HG SER 31 -5.995 15.215 -4.777 261 H LEU 41 HN LEU 41 12.545 -4.996 -0.222 262 HA LEU 41 HA LEU 41 10.827 -6.770 -1.689 263 HB2 LEU 41 HB2 LEU 41 12.588 -6.924 0.610 264 HB3 LEU 41 HB1 LEU 41 11.072 -7.769 0.914 265 HG LEU 41 HG LEU 41 11.343 -9.001 -1.221 266 HD11 LEU 41 HD11 LEU 41 12.727 -8.138 -2.776 267 HD12 LEU 41 HD12 LEU 41 13.373 -6.982 -1.612 268 HD13 LEU 41 HD13 LEU 41 14.089 -8.587 -1.751 269 HD21 LEU 41 HD21 LEU 41 12.223 -9.966 0.878 270 HD22 LEU 41 HD22 LEU 41 13.237 -10.413 -0.494 271 HD23 LEU 41 HD23 LEU 41 13.760 -9.143 0.612 272 H ARG 42 HN ARG 42 10.527 -5.120 1.462 273 HA ARG 42 HA ARG 42 7.860 -5.930 1.952 274 HB2 ARG 42 HB2 ARG 42 9.389 -5.064 3.704 275 HB3 ARG 42 HB1 ARG 42 9.286 -3.462 2.971 276 HG2 ARG 42 HG2 ARG 42 6.877 -3.392 3.362 277 HG3 ARG 42 HG1 ARG 42 6.907 -5.039 3.992 278 HD2 ARG 42 HD2 ARG 42 8.432 -2.714 5.194 279 HD3 ARG 42 HD1 ARG 42 6.887 -3.313 5.795 280 HE ARG 42 HE ARG 42 8.601 -5.505 5.699 281 HH11 ARG 42 HH11 ARG 42 8.404 -2.413 7.237 282 HH12 ARG 42 HH12 ARG 42 9.264 -2.910 8.656 283 HH21 ARG 42 HH21 ARG 42 9.734 -6.164 7.554 284 HH22 ARG 42 HH22 ARG 42 10.017 -5.034 8.836 285 H VAL 43 HN VAL 43 5.937 -5.104 1.330 286 HA VAL 43 HA VAL 43 4.437 -3.925 0.057 287 HB VAL 43 HB VAL 43 6.204 -1.837 1.281 288 HG11 VAL 43 HG11 VAL 43 4.180 -1.410 -0.918 289 HG12 VAL 43 HG12 VAL 43 4.516 -0.164 0.281 290 HG13 VAL 43 HG13 VAL 43 5.802 -0.734 -0.778 291 HG21 VAL 43 HG21 VAL 43 4.383 -1.476 2.651 292 HG22 VAL 43 HG22 VAL 43 3.223 -1.897 1.391 293 HG23 VAL 43 HG23 VAL 43 4.103 -3.167 2.244 294 H ARG 44 HN ARG 44 4.495 -4.513 -2.034 295 HA ARG 44 HA ARG 44 6.373 -3.101 -3.823 296 HB2 ARG 44 HB2 ARG 44 5.763 -6.056 -3.754 297 HB3 ARG 44 HB1 ARG 44 6.419 -5.265 -5.185 298 HG2 ARG 44 HG2 ARG 44 7.769 -4.829 -2.546 299 HG3 ARG 44 HG1 ARG 44 8.042 -6.345 -3.403 300 HD2 ARG 44 HD2 ARG 44 8.470 -3.582 -4.589 301 HD3 ARG 44 HD1 ARG 44 9.744 -4.626 -3.974 302 HE ARG 44 HE ARG 44 8.353 -6.134 -5.846 303 HH11 ARG 44 HH11 ARG 44 10.121 -3.162 -5.710 304 HH12 ARG 44 HH12 ARG 44 10.675 -3.255 -7.348 305 HH21 ARG 44 HH21 ARG 44 9.075 -6.265 -7.996 306 HH22 ARG 44 HH22 ARG 44 10.082 -5.013 -8.644 307 H ARG 45 HN ARG 45 5.689 -3.305 -6.159 308 HA ARG 45 HA ARG 45 2.740 -3.100 -6.346 309 HB2 ARG 45 HB2 ARG 45 4.070 -1.929 -8.576 310 HB3 ARG 45 HB1 ARG 45 2.999 -1.178 -7.419 311 HG2 ARG 45 HG2 ARG 45 5.097 -0.000 -7.293 312 HG3 ARG 45 HG1 ARG 45 4.971 -0.985 -5.835 313 HD2 ARG 45 HD2 ARG 45 6.949 -1.914 -6.392 314 HD3 ARG 45 HD1 ARG 45 6.136 -2.669 -7.760 315 HE ARG 45 HE ARG 45 6.968 0.053 -8.265 316 HH11 ARG 45 HH11 ARG 45 7.839 -3.296 -8.251 317 HH12 ARG 45 HH12 ARG 45 9.091 -3.118 -9.434 318 HH21 ARG 45 HH21 ARG 45 8.609 0.296 -9.814 319 HH22 ARG 45 HH22 ARG 45 9.528 -1.082 -10.319 320 H THR 46 HN THR 46 1.770 -3.662 -8.324 321 HA THR 46 HA THR 46 1.461 -4.784 -10.289 322 HB THR 46 HB THR 46 3.186 -5.723 -11.496 323 HG1 THR 46 HG1 THR 46 4.992 -5.521 -9.396 324 HG21 THR 46 HG21 THR 46 4.315 -3.807 -11.925 325 HG22 THR 46 HG22 THR 46 3.356 -3.133 -10.608 326 HG23 THR 46 HG23 THR 46 4.978 -3.748 -10.292 327 H LEU 47 HN LEU 47 1.113 -5.655 -7.590 328 HA LEU 47 HA LEU 47 0.763 -8.512 -8.153 329 HB2 LEU 47 HB2 LEU 47 1.459 -8.827 -5.639 330 HB3 LEU 47 HB1 LEU 47 2.670 -8.781 -6.919 331 HG LEU 47 HG LEU 47 1.961 -6.104 -5.858 332 HD11 LEU 47 HD11 LEU 47 3.126 -8.278 -4.140 333 HD12 LEU 47 HD12 LEU 47 3.466 -6.583 -3.835 334 HD13 LEU 47 HD13 LEU 47 1.807 -7.164 -3.772 335 HD21 LEU 47 HD21 LEU 47 4.327 -5.801 -6.087 336 HD22 LEU 47 HD22 LEU 47 4.629 -7.533 -6.036 337 HD23 LEU 47 HD23 LEU 47 3.857 -6.818 -7.449 338 H GLN 48 HN GLN 48 0.427 -7.312 -4.916 339 HA GLN 48 HA GLN 48 -2.488 -7.067 -5.235 340 HB2 GLN 48 HB2 GLN 48 -1.404 -9.344 -4.171 341 HB3 GLN 48 HB1 GLN 48 -1.571 -8.334 -2.732 342 HG2 GLN 48 HG2 GLN 48 -3.633 -9.491 -2.919 343 HG3 GLN 48 HG1 GLN 48 -3.951 -7.856 -3.498 344 HE21 GLN 48 HE21 GLN 48 -5.789 -8.887 -4.741 345 HE22 GLN 48 HE22 GLN 48 -5.444 -9.642 -6.221 346 H CYS 49 HN CYS 49 -3.353 -5.500 -4.026 347 HA CYS 49 HA CYS 49 -1.536 -3.963 -2.290 348 HB2 CYS 49 HB2 CYS 49 -2.029 -2.753 -4.278 349 HB3 CYS 49 HB1 CYS 49 -3.752 -3.094 -4.103 350 H SER 50 HN SER 50 -2.105 -3.563 -0.282 351 HA SER 50 HA SER 50 -4.919 -3.616 0.425 352 HB2 SER 50 HB2 SER 50 -4.570 -5.138 2.318 353 HB3 SER 50 HB1 SER 50 -4.109 -5.935 0.817 354 HG SER 50 HG SER 50 -2.485 -6.243 2.330 355 H CYS 51 HN CYS 51 -5.350 -2.507 2.441 356 HA CYS 51 HA CYS 51 -3.072 -1.083 3.625 357 HB2 CYS 51 HB2 CYS 51 -5.586 0.408 2.965 358 HB3 CYS 51 HB1 CYS 51 -3.963 1.040 3.242 359 H ARG 52 HN ARG 52 -3.609 -0.134 5.747 360 HA ARG 52 HA ARG 52 -6.148 -1.003 6.965 361 HB2 ARG 52 HB2 ARG 52 -5.079 -2.244 8.755 362 HB3 ARG 52 HB1 ARG 52 -4.572 -2.931 7.210 363 HG2 ARG 52 HG2 ARG 52 -2.541 -1.387 7.343 364 HG3 ARG 52 HG1 ARG 52 -3.005 -1.077 9.016 365 HD2 ARG 52 HD2 ARG 52 -1.378 -2.877 8.987 366 HD3 ARG 52 HD1 ARG 52 -2.947 -3.538 9.441 367 HE ARG 52 HE ARG 52 -2.527 -3.693 6.614 368 HH11 ARG 52 HH11 ARG 52 -1.691 -5.099 9.662 369 HH12 ARG 52 HH12 ARG 52 -1.393 -6.675 9.009 370 HH21 ARG 52 HH21 ARG 52 -2.154 -5.756 5.752 371 HH22 ARG 52 HH22 ARG 52 -1.656 -7.048 6.793 372 H ARG 53 HN ARG 53 -6.757 0.238 8.736 373 HA ARG 53 HA ARG 53 -5.802 2.816 8.986 374 HB2 ARG 53 HB2 ARG 53 -7.986 2.060 9.751 375 HB3 ARG 53 HB1 ARG 53 -7.197 1.255 11.102 376 HG2 ARG 53 HG2 ARG 53 -6.350 3.333 11.950 377 HG3 ARG 53 HG1 ARG 53 -6.873 4.194 10.503 378 HD2 ARG 53 HD2 ARG 53 -8.440 4.604 12.261 379 HD3 ARG 53 HD1 ARG 53 -9.219 3.602 11.053 380 HE ARG 53 HE ARG 53 -9.281 1.848 12.598 381 HH11 ARG 53 HH11 ARG 53 -7.334 4.483 13.713 382 HH12 ARG 53 HH12 ARG 53 -7.180 3.866 15.325 383 HH21 ARG 53 HH21 ARG 53 -9.077 1.030 14.709 384 HH22 ARG 53 HH22 ARG 53 -8.166 1.913 15.888 385 H VAL 54 HN VAL 54 -4.595 3.888 10.412 386 HA VAL 54 HA VAL 54 -3.297 2.987 12.713 387 HB VAL 54 HB VAL 54 -2.123 1.431 11.322 388 HG11 VAL 54 HG11 VAL 54 -1.712 3.834 9.547 389 HG12 VAL 54 HG12 VAL 54 -0.621 2.445 9.467 390 HG13 VAL 54 HG13 VAL 54 -2.338 2.239 9.153 391 HG21 VAL 54 HG21 VAL 54 0.031 3.424 11.488 392 HG22 VAL 54 HG22 VAL 54 -0.894 3.228 12.975 393 HG23 VAL 54 HG23 VAL 54 -0.095 1.834 12.245 394 H CYS 55 HN CYS 55 -4.290 5.335 12.659 395 HA CYS 55 HA CYS 55 -3.807 7.552 13.030 396 HB2 CYS 55 HB2 CYS 55 -1.742 7.978 13.799 397 HB3 CYS 55 HB1 CYS 55 -1.237 6.383 13.262 398 H ARG 56 HN ARG 56 -3.194 5.917 10.179 399 HA ARG 56 HA ARG 56 -4.234 7.880 8.490 400 HB2 ARG 56 HB2 ARG 56 -1.593 8.488 9.201 401 HB3 ARG 56 HB1 ARG 56 -1.473 7.719 7.618 402 HG2 ARG 56 HG2 ARG 56 -1.831 10.008 7.085 403 HG3 ARG 56 HG1 ARG 56 -3.428 9.294 6.929 404 HD2 ARG 56 HD2 ARG 56 -4.098 10.127 9.088 405 HD3 ARG 56 HD1 ARG 56 -2.450 10.613 9.477 406 HE ARG 56 HE ARG 56 -3.179 11.984 7.156 407 HH11 ARG 56 HH11 ARG 56 -4.153 11.689 10.460 408 HH12 ARG 56 HH12 ARG 56 -4.732 13.316 10.582 409 HH21 ARG 56 HH21 ARG 56 -3.930 14.129 7.311 410 HH22 ARG 56 HH22 ARG 56 -4.606 14.696 8.802 411 H ASN 57 HN ASN 57 -4.035 5.018 9.016 412 HA ASN 57 HA ASN 57 -4.116 3.107 7.769 413 HB2 ASN 57 HB2 ASN 57 -5.211 4.860 6.166 414 HB3 ASN 57 HB1 ASN 57 -3.736 4.609 5.253 415 HD21 ASN 57 HD21 ASN 57 -6.447 3.764 4.421 416 HD22 ASN 57 HD22 ASN 57 -6.392 2.074 4.274 417 H THR 58 HN THR 58 -2.825 1.654 6.765 418 HA THR 58 HA THR 58 -0.022 2.443 6.352 419 HB THR 58 HB THR 58 -0.365 -0.417 6.695 420 HG1 THR 58 HG1 THR 58 -2.058 0.532 8.108 421 HG21 THR 58 HG21 THR 58 1.777 0.749 6.801 422 HG22 THR 58 HG22 THR 58 1.217 1.678 8.197 423 HG23 THR 58 HG23 THR 58 1.450 -0.064 8.334 424 H CYS 59 HN CYS 59 1.111 1.168 4.783 425 HA CYS 59 HA CYS 59 -0.643 0.339 2.562 426 HB2 CYS 59 HB2 CYS 59 0.895 2.372 2.393 427 HB3 CYS 59 HB1 CYS 59 2.231 1.236 2.423 428 H SER 60 HN SER 60 -0.697 -1.788 2.327 429 HA SER 60 HA SER 60 1.822 -3.287 2.606 430 HB2 SER 60 HB2 SER 60 -0.912 -4.138 3.563 431 HB3 SER 60 HB1 SER 60 0.498 -5.190 3.484 432 HG SER 60 HG SER 60 0.520 -4.377 5.513 433 H CYS 61 HN CYS 61 2.310 -3.773 0.566 434 HA CYS 61 HA CYS 61 0.194 -5.003 -1.073 435 HB2 CYS 61 HB2 CYS 61 2.511 -3.336 -2.083 436 HB3 CYS 61 HB1 CYS 61 1.286 -4.104 -3.081 437 H ILE 62 HN ILE 62 0.590 -7.037 -1.544 438 HA ILE 62 HA ILE 62 3.314 -8.022 -1.864 439 HB ILE 62 HB ILE 62 2.644 -9.897 -0.103 440 HG12 ILE 62 HG12 ILE 62 1.471 -8.914 1.826 441 HG13 ILE 62 HG11 ILE 62 1.219 -7.421 0.922 442 HG21 ILE 62 HG21 ILE 62 3.609 -7.217 0.920 443 HG22 ILE 62 HG22 ILE 62 4.035 -8.821 1.513 444 HG23 ILE 62 HG23 ILE 62 4.633 -8.278 -0.053 445 HD11 ILE 62 HD11 ILE 62 -0.682 -9.222 0.971 446 HD12 ILE 62 HD12 ILE 62 -0.297 -8.422 -0.554 447 HD13 ILE 62 HD13 ILE 62 0.321 -10.037 -0.226 448 H ARG 63 HN ARG 63 3.323 -10.409 -2.414 449 HA ARG 63 HA ARG 63 1.222 -10.911 -4.325 450 HB2 ARG 63 HB2 ARG 63 3.526 -12.676 -3.463 451 HB3 ARG 63 HB1 ARG 63 2.479 -12.960 -4.853 452 HG2 ARG 63 HG2 ARG 63 3.982 -11.759 -6.040 453 HG3 ARG 63 HG1 ARG 63 3.316 -10.344 -5.225 454 HD2 ARG 63 HD2 ARG 63 5.712 -10.324 -4.900 455 HD3 ARG 63 HD1 ARG 63 4.957 -10.729 -3.361 456 HE ARG 63 HE ARG 63 5.729 -13.009 -4.998 457 HH11 ARG 63 HH11 ARG 63 6.553 -10.754 -2.509 458 HH12 ARG 63 HH12 ARG 63 7.759 -11.770 -1.795 459 HH21 ARG 63 HH21 ARG 63 7.311 -14.349 -4.068 460 HH22 ARG 63 HH22 ARG 63 8.189 -13.806 -2.677 461 H LEU 64 HN LEU 64 1.367 -11.247 -1.101 462 HA LEU 64 HA LEU 64 -0.080 -13.807 -0.972 463 HB2 LEU 64 HB2 LEU 64 0.802 -12.010 1.298 464 HB3 LEU 64 HB1 LEU 64 0.206 -13.665 1.429 465 HG LEU 64 HG LEU 64 2.730 -12.804 -0.016 466 HD11 LEU 64 HD11 LEU 64 2.517 -12.903 2.625 467 HD12 LEU 64 HD12 LEU 64 2.657 -14.639 2.349 468 HD13 LEU 64 HD13 LEU 64 3.941 -13.555 1.813 469 HD21 LEU 64 HD21 LEU 64 1.246 -15.404 0.215 470 HD22 LEU 64 HD22 LEU 64 2.076 -14.713 -1.180 471 HD23 LEU 64 HD23 LEU 64 3.008 -15.431 0.133 472 H SER 65 HN SER 65 -1.960 -13.809 0.689 473 HA SER 65 HA SER 65 -4.019 -12.175 -0.363 474 HB2 SER 65 HB2 SER 65 -5.413 -13.147 1.407 475 HB3 SER 65 HB1 SER 65 -4.435 -14.389 0.629 476 HG SER 65 HG SER 65 -3.950 -14.768 2.670 477 H ARG 66 HN ARG 66 -2.213 -12.027 2.703 478 HA ARG 66 HA ARG 66 -2.175 -9.264 2.960 479 HB2 ARG 66 HB2 ARG 66 -3.909 -8.985 4.807 480 HB3 ARG 66 HB1 ARG 66 -4.548 -9.128 3.175 481 HG2 ARG 66 HG2 ARG 66 -5.069 -11.483 3.536 482 HG3 ARG 66 HG1 ARG 66 -4.289 -11.443 5.116 483 HD2 ARG 66 HD2 ARG 66 -6.673 -9.741 4.349 484 HD3 ARG 66 HD1 ARG 66 -6.785 -11.259 5.233 485 HE ARG 66 HE ARG 66 -4.975 -9.630 6.610 486 HH11 ARG 66 HH11 ARG 66 -8.310 -9.687 5.687 487 HH12 ARG 66 HH12 ARG 66 -8.848 -8.774 7.058 488 HH21 ARG 66 HH21 ARG 66 -5.673 -8.427 8.407 489 HH22 ARG 66 HH22 ARG 66 -7.354 -8.061 8.597 490 H SER 67 HN SER 67 -0.658 -11.703 3.583 491 HA SER 67 HA SER 67 -0.462 -11.628 6.513 492 HB2 SER 67 HB2 SER 67 0.869 -13.394 4.448 493 HB3 SER 67 HB1 SER 67 1.149 -13.506 6.183 494 HG SER 67 HG SER 67 -0.983 -14.052 6.472 495 H THR 68 HN THR 68 0.434 -9.626 6.862 496 HA THR 68 HA THR 68 3.276 -9.534 6.758 497 HB THR 68 HB THR 68 2.849 -8.912 4.425 498 HG1 THR 68 HG1 THR 68 3.945 -7.236 6.303 499 HG21 THR 68 HG21 THR 68 1.294 -7.372 3.778 500 HG22 THR 68 HG22 THR 68 0.554 -7.788 5.323 501 HG23 THR 68 HG23 THR 68 1.571 -6.354 5.193 502 H TYR 69 HN TYR 69 3.660 -8.744 8.677 503 HA TYR 69 HA TYR 69 3.596 -7.449 10.573 504 HB2 TYR 69 HB2 TYR 69 4.171 -5.663 8.978 505 HB3 TYR 69 HB1 TYR 69 2.458 -5.392 8.664 506 HD1 TYR 69 HD1 TYR 69 4.955 -5.492 11.450 507 HD2 TYR 69 HD2 TYR 69 1.235 -3.896 10.013 508 HE1 TYR 69 HE1 TYR 69 4.839 -3.987 13.417 509 HE2 TYR 69 HE2 TYR 69 1.119 -2.394 11.980 510 HH TYR 69 HH TYR 69 3.588 -1.587 13.822 511 H ALA 70 HN ALA 70 2.209 -6.724 12.240 512 HA ALA 70 HA ALA 70 0.279 -6.785 13.485 513 HB1 ALA 70 HB1 ALA 70 -1.576 -6.402 11.255 514 HB2 ALA 70 HB2 ALA 70 -1.297 -5.392 12.673 515 HB3 ALA 70 HB3 ALA 70 -0.254 -5.235 11.261 516 H SER 71 HN SER 71 1.285 -9.227 12.200 517 HA SER 71 HA SER 71 -1.143 -10.738 11.580 518 HB2 SER 71 HB2 SER 71 0.239 -12.359 10.675 519 HB3 SER 71 HB1 SER 71 1.218 -10.918 10.418 520 HG SER 71 HG SER 71 1.383 -12.652 12.665 Start of MODEL 5 1 H LEU 1 HN LEU 1 -9.538 4.789 1.375 2 HA LEU 1 HA LEU 1 -11.144 2.803 1.148 3 HB2 LEU 1 HB2 LEU 1 -12.868 5.053 1.911 4 HB3 LEU 1 HB1 LEU 1 -13.472 4.135 0.532 5 HG LEU 1 HG LEU 1 -13.253 2.043 1.816 6 HD11 LEU 1 HD11 LEU 1 -12.952 2.889 4.453 7 HD12 LEU 1 HD12 LEU 1 -11.730 2.060 3.488 8 HD13 LEU 1 HD13 LEU 1 -11.741 3.822 3.573 9 HD21 LEU 1 HD21 LEU 1 -15.379 3.249 1.946 10 HD22 LEU 1 HD22 LEU 1 -15.018 2.523 3.512 11 HD23 LEU 1 HD23 LEU 1 -14.758 4.249 3.259 12 H ARG 2 HN ARG 2 -9.763 5.366 -0.252 13 HA ARG 2 HA ARG 2 -10.989 4.965 -2.897 14 HB2 ARG 2 HB2 ARG 2 -9.442 7.166 -1.615 15 HB3 ARG 2 HB1 ARG 2 -9.252 6.943 -3.355 16 HG2 ARG 2 HG2 ARG 2 -11.085 8.519 -2.861 17 HG3 ARG 2 HG1 ARG 2 -11.698 7.063 -3.645 18 HD2 ARG 2 HD2 ARG 2 -12.485 6.171 -1.564 19 HD3 ARG 2 HD1 ARG 2 -11.628 7.402 -0.641 20 HE ARG 2 HE ARG 2 -13.364 8.783 -2.298 21 HH11 ARG 2 HH11 ARG 2 -13.552 6.332 0.137 22 HH12 ARG 2 HH12 ARG 2 -15.121 6.811 0.694 23 HH21 ARG 2 HH21 ARG 2 -15.416 9.425 -1.567 24 HH22 ARG 2 HH22 ARG 2 -16.177 8.563 -0.271 25 H VAL 3 HN VAL 3 -9.005 3.236 -1.341 26 HA VAL 3 HA VAL 3 -6.941 3.070 -3.451 27 HB VAL 3 HB VAL 3 -6.761 2.205 -0.547 28 HG11 VAL 3 HG11 VAL 3 -5.356 0.722 -1.666 29 HG12 VAL 3 HG12 VAL 3 -4.993 1.879 -2.947 30 HG13 VAL 3 HG13 VAL 3 -4.258 2.067 -1.356 31 HG21 VAL 3 HG21 VAL 3 -5.284 4.416 -2.014 32 HG22 VAL 3 HG22 VAL 3 -6.687 4.692 -0.986 33 HG23 VAL 3 HG23 VAL 3 -5.200 4.049 -0.291 34 H ARG 4 HN ARG 4 -7.142 1.378 -4.741 35 HA ARG 4 HA ARG 4 -8.612 -1.016 -3.799 36 HB2 ARG 4 HB2 ARG 4 -8.210 0.020 -6.615 37 HB3 ARG 4 HB1 ARG 4 -9.070 -1.455 -6.187 38 HG2 ARG 4 HG2 ARG 4 -10.687 -0.144 -4.872 39 HG3 ARG 4 HG1 ARG 4 -9.827 1.339 -5.286 40 HD2 ARG 4 HD2 ARG 4 -11.701 1.113 -6.803 41 HD3 ARG 4 HD1 ARG 4 -10.222 0.814 -7.711 42 HE ARG 4 HE ARG 4 -11.252 -1.633 -6.696 43 HH11 ARG 4 HH11 ARG 4 -11.810 0.835 -9.055 44 HH12 ARG 4 HH12 ARG 4 -12.616 -0.218 -10.169 45 HH21 ARG 4 HH21 ARG 4 -12.313 -3.020 -8.148 46 HH22 ARG 4 HH22 ARG 4 -12.901 -2.403 -9.655 47 H ARG 5 HN ARG 5 -7.874 -2.731 -5.851 48 HA ARG 5 HA ARG 5 -4.942 -2.931 -5.759 49 HB2 ARG 5 HB2 ARG 5 -5.938 -5.553 -5.426 50 HB3 ARG 5 HB1 ARG 5 -4.935 -4.629 -4.333 51 HG2 ARG 5 HG2 ARG 5 -6.935 -5.332 -3.142 52 HG3 ARG 5 HG1 ARG 5 -7.008 -3.590 -3.375 53 HD2 ARG 5 HD2 ARG 5 -8.147 -4.740 -5.692 54 HD3 ARG 5 HD1 ARG 5 -8.822 -5.623 -4.328 55 HE ARG 5 HE ARG 5 -8.917 -2.857 -3.762 56 HH11 ARG 5 HH11 ARG 5 -10.286 -5.249 -5.855 57 HH12 ARG 5 HH12 ARG 5 -11.797 -4.422 -6.039 58 HH21 ARG 5 HH21 ARG 5 -10.897 -1.771 -3.994 59 HH22 ARG 5 HH22 ARG 5 -12.143 -2.454 -4.985 60 H THR 6 HN THR 6 -4.236 -4.891 -7.064 61 HA THR 6 HA THR 6 -4.264 -6.252 -8.898 62 HB THR 6 HB THR 6 -6.174 -6.679 -10.121 63 HG1 THR 6 HG1 THR 6 -7.406 -4.427 -9.008 64 HG21 THR 6 HG21 THR 6 -7.746 -6.059 -7.732 65 HG22 THR 6 HG22 THR 6 -7.386 -7.626 -8.456 66 HG23 THR 6 HG23 THR 6 -6.217 -6.864 -7.380 67 H LEU 7 HN LEU 7 -3.283 -3.625 -8.720 68 HA LEU 7 HA LEU 7 -3.042 -3.044 -11.560 69 HB2 LEU 7 HB2 LEU 7 -3.336 -0.526 -10.868 70 HB3 LEU 7 HB1 LEU 7 -4.745 -1.520 -11.224 71 HG LEU 7 HG LEU 7 -3.886 -1.722 -8.413 72 HD11 LEU 7 HD11 LEU 7 -4.675 0.917 -9.625 73 HD12 LEU 7 HD12 LEU 7 -4.873 0.573 -7.920 74 HD13 LEU 7 HD13 LEU 7 -3.270 0.542 -8.618 75 HD21 LEU 7 HD21 LEU 7 -6.254 -1.568 -8.040 76 HD22 LEU 7 HD22 LEU 7 -6.513 -0.797 -9.602 77 HD23 LEU 7 HD23 LEU 7 -6.067 -2.494 -9.530 78 H GLN 8 HN GLN 8 -2.167 -0.520 -9.388 79 HA GLN 8 HA GLN 8 0.611 -1.473 -9.283 80 HB2 GLN 8 HB2 GLN 8 -0.167 0.566 -10.949 81 HB3 GLN 8 HB1 GLN 8 0.242 1.441 -9.473 82 HG2 GLN 8 HG2 GLN 8 2.055 -0.568 -10.833 83 HG3 GLN 8 HG1 GLN 8 2.204 1.180 -10.974 84 HE21 GLN 8 HE21 GLN 8 4.029 -0.907 -9.650 85 HE22 GLN 8 HE22 GLN 8 4.270 -0.301 -8.083 86 H CYS 9 HN CYS 9 1.632 -1.070 -7.425 87 HA CYS 9 HA CYS 9 0.025 0.134 -5.269 88 HB2 CYS 9 HB2 CYS 9 0.099 -2.087 -4.806 89 HB3 CYS 9 HB1 CYS 9 1.703 -2.295 -5.478 90 H SER 10 HN SER 10 0.832 1.678 -4.064 91 HA SER 10 HA SER 10 3.724 2.141 -3.949 92 HB2 SER 10 HB2 SER 10 3.454 4.513 -4.444 93 HB3 SER 10 HB1 SER 10 2.816 3.563 -5.785 94 HG SER 10 HG SER 10 1.121 4.280 -3.668 95 H CYS 11 HN CYS 11 4.334 3.500 -2.145 96 HA CYS 11 HA CYS 11 2.231 3.848 -0.107 97 HB2 CYS 11 HB2 CYS 11 4.971 2.856 0.624 98 HB3 CYS 11 HB1 CYS 11 3.469 2.724 1.527 99 H ARG 12 HN ARG 12 2.714 5.535 1.475 100 HA ARG 12 HA ARG 12 5.091 7.205 0.937 101 HB2 ARG 12 HB2 ARG 12 3.789 9.237 0.645 102 HB3 ARG 12 HB1 ARG 12 3.280 8.046 -0.552 103 HG2 ARG 12 HG2 ARG 12 1.421 7.378 1.007 104 HG3 ARG 12 HG1 ARG 12 1.872 8.739 2.034 105 HD2 ARG 12 HD2 ARG 12 1.442 10.308 0.230 106 HD3 ARG 12 HD1 ARG 12 1.111 8.985 -0.885 107 HE ARG 12 HE ARG 12 -0.995 8.748 0.089 108 HH11 ARG 12 HH11 ARG 12 1.038 10.840 1.951 109 HH12 ARG 12 HH12 ARG 12 -0.234 11.358 3.007 110 HH21 ARG 12 HH21 ARG 12 -2.653 9.391 1.491 111 HH22 ARG 12 HH22 ARG 12 -2.324 10.537 2.748 112 H ARG 13 HN ARG 13 5.739 8.511 2.652 113 HA ARG 13 HA ARG 13 5.259 7.620 5.235 114 HB2 ARG 13 HB2 ARG 13 7.208 8.922 4.619 115 HB3 ARG 13 HB1 ARG 13 6.182 10.340 4.442 116 HG2 ARG 13 HG2 ARG 13 5.719 10.459 6.736 117 HG3 ARG 13 HG1 ARG 13 6.177 8.778 7.009 118 HD2 ARG 13 HD2 ARG 13 8.512 9.305 6.585 119 HD3 ARG 13 HD1 ARG 13 8.098 10.977 6.207 120 HE ARG 13 HE ARG 13 7.901 11.386 8.491 121 HH11 ARG 13 HH11 ARG 13 7.990 8.000 7.814 122 HH12 ARG 13 HH12 ARG 13 8.150 7.529 9.473 123 HH21 ARG 13 HH21 ARG 13 8.131 10.786 10.670 124 HH22 ARG 13 HH22 ARG 13 8.230 9.110 11.093 125 H VAL 14 HN VAL 14 4.149 8.275 6.923 126 HA VAL 14 HA VAL 14 2.396 10.498 7.121 127 HB VAL 14 HB VAL 14 1.287 9.059 5.339 128 HG11 VAL 14 HG11 VAL 14 0.241 7.305 7.504 129 HG12 VAL 14 HG12 VAL 14 0.531 6.946 5.817 130 HG13 VAL 14 HG13 VAL 14 1.878 6.986 6.936 131 HG21 VAL 14 HG21 VAL 14 0.113 10.774 6.819 132 HG22 VAL 14 HG22 VAL 14 -0.903 9.523 6.105 133 HG23 VAL 14 HG23 VAL 14 -0.424 9.408 7.800 134 H CYS 15 HN CYS 15 4.165 9.505 8.944 135 HA CYS 15 HA CYS 15 4.237 9.071 11.193 136 HB2 CYS 15 HB2 CYS 15 2.401 9.429 12.434 137 HB3 CYS 15 HB1 CYS 15 1.475 9.583 10.951 138 H ARG 16 HN ARG 16 3.179 7.041 8.795 139 HA ARG 16 HA ARG 16 4.600 4.802 9.718 140 HB2 ARG 16 HB2 ARG 16 2.133 5.042 11.004 141 HB3 ARG 16 HB1 ARG 16 1.839 3.890 9.708 142 HG2 ARG 16 HG2 ARG 16 2.626 2.477 11.429 143 HG3 ARG 16 HG1 ARG 16 4.090 2.784 10.518 144 HD2 ARG 16 HD2 ARG 16 3.323 4.559 12.849 145 HD3 ARG 16 HD1 ARG 16 4.180 3.042 13.101 146 HE ARG 16 HE ARG 16 5.615 4.369 11.146 147 HH11 ARG 16 HH11 ARG 16 4.549 4.966 14.384 148 HH12 ARG 16 HH12 ARG 16 5.898 5.971 14.792 149 HH21 ARG 16 HH21 ARG 16 7.394 5.684 11.678 150 HH22 ARG 16 HH22 ARG 16 7.508 6.377 13.262 151 H ASN 17 HN ASN 17 4.242 6.212 7.300 152 HA ASN 17 HA ASN 17 3.969 5.795 5.069 153 HB2 ASN 17 HB2 ASN 17 5.142 3.923 4.785 154 HB3 ASN 17 HB1 ASN 17 4.545 3.225 6.274 155 HD21 ASN 17 HD21 ASN 17 3.735 1.206 5.702 156 HD22 ASN 17 HD22 ASN 17 2.641 0.942 4.434 157 H THR 18 HN THR 18 2.360 5.671 3.630 158 HA THR 18 HA THR 18 -0.303 4.865 4.555 159 HB THR 18 HB THR 18 -0.423 6.620 2.245 160 HG1 THR 18 HG1 THR 18 1.474 7.444 3.365 161 HG21 THR 18 HG21 THR 18 -1.992 7.864 3.776 162 HG22 THR 18 HG22 THR 18 -2.373 6.158 3.545 163 HG23 THR 18 HG23 THR 18 -1.604 6.700 5.037 164 H CYS 19 HN CYS 19 -1.776 4.303 2.782 165 HA CYS 19 HA CYS 19 -0.382 2.567 0.841 166 HB2 CYS 19 HB2 CYS 19 -1.861 1.603 2.586 167 HB3 CYS 19 HB1 CYS 19 -3.190 2.522 1.930 168 H SER 20 HN SER 20 -0.567 3.015 -1.235 169 HA SER 20 HA SER 20 -2.968 4.330 -2.254 170 HB2 SER 20 HB2 SER 20 -1.520 5.894 -3.591 171 HB3 SER 20 HB1 SER 20 -1.525 6.216 -1.860 172 HG SER 20 HG SER 20 0.573 5.969 -3.211 173 H CYS 21 HN CYS 21 -3.636 2.862 -3.707 174 HA CYS 21 HA CYS 21 -1.610 1.739 -5.540 175 HB2 CYS 21 HB2 CYS 21 -4.199 0.332 -5.282 176 HB3 CYS 21 HB1 CYS 21 -2.589 -0.336 -5.497 177 H ILE 22 HN ILE 22 -1.847 2.304 -7.590 178 HA ILE 22 HA ILE 22 -4.494 2.998 -8.614 179 HB ILE 22 HB ILE 22 -3.256 5.124 -9.633 180 HG12 ILE 22 HG12 ILE 22 -1.814 6.169 -7.928 181 HG13 ILE 22 HG11 ILE 22 -1.922 4.718 -6.935 182 HG21 ILE 22 HG21 ILE 22 -4.375 5.052 -6.813 183 HG22 ILE 22 HG22 ILE 22 -4.298 6.461 -7.869 184 HG23 ILE 22 HG23 ILE 22 -5.351 5.110 -8.281 185 HD11 ILE 22 HD11 ILE 22 0.141 5.005 -8.504 186 HD12 ILE 22 HD12 ILE 22 -0.664 3.436 -8.453 187 HD13 ILE 22 HD13 ILE 22 -0.977 4.547 -9.788 188 H ARG 23 HN ARG 23 -4.297 3.666 -11.000 189 HA ARG 23 HA ARG 23 -2.593 1.679 -12.309 190 HB2 ARG 23 HB2 ARG 23 -5.017 3.256 -13.196 191 HB3 ARG 23 HB1 ARG 23 -4.062 2.262 -14.298 192 HG2 ARG 23 HG2 ARG 23 -4.460 0.293 -12.848 193 HG3 ARG 23 HG1 ARG 23 -5.456 1.293 -11.788 194 HD2 ARG 23 HD2 ARG 23 -6.004 0.896 -14.738 195 HD3 ARG 23 HD1 ARG 23 -6.786 -0.027 -13.456 196 HE ARG 23 HE ARG 23 -7.300 2.743 -14.155 197 HH11 ARG 23 HH11 ARG 23 -7.491 0.237 -11.779 198 HH12 ARG 23 HH12 ARG 23 -8.781 0.981 -10.896 199 HH21 ARG 23 HH21 ARG 23 -8.980 3.739 -12.990 200 HH22 ARG 23 HH22 ARG 23 -9.624 2.965 -11.581 201 H LEU 24 HN LEU 24 -1.151 3.663 -11.336 202 HA LEU 24 HA LEU 24 0.499 5.171 -11.949 203 HB2 LEU 24 HB2 LEU 24 -0.461 4.741 -14.775 204 HB3 LEU 24 HB1 LEU 24 1.075 5.431 -14.280 205 HG LEU 24 HG LEU 24 0.179 2.607 -13.624 206 HD11 LEU 24 HD11 LEU 24 1.952 3.732 -15.805 207 HD12 LEU 24 HD12 LEU 24 2.016 2.040 -15.310 208 HD13 LEU 24 HD13 LEU 24 0.531 2.705 -15.991 209 HD21 LEU 24 HD21 LEU 24 1.784 3.240 -12.001 210 HD22 LEU 24 HD22 LEU 24 2.749 2.450 -13.245 211 HD23 LEU 24 HD23 LEU 24 2.699 4.209 -13.155 212 H SER 25 HN SER 25 0.456 7.050 -14.042 213 HA SER 25 HA SER 25 -0.466 9.060 -14.710 214 HB2 SER 25 HB2 SER 25 -2.710 7.655 -14.408 215 HB3 SER 25 HB1 SER 25 -2.895 8.714 -13.011 216 HG SER 25 HG SER 25 -3.137 10.381 -14.302 217 H ARG 26 HN ARG 26 0.718 8.154 -11.953 218 HA ARG 26 HA ARG 26 1.166 9.106 -9.877 219 HB2 ARG 26 HB2 ARG 26 1.546 11.456 -11.753 220 HB3 ARG 26 HB1 ARG 26 2.240 11.309 -10.138 221 HG2 ARG 26 HG2 ARG 26 3.546 9.393 -10.786 222 HG3 ARG 26 HG1 ARG 26 2.723 9.292 -12.342 223 HD2 ARG 26 HD2 ARG 26 4.406 11.647 -11.442 224 HD3 ARG 26 HD1 ARG 26 4.979 10.361 -12.500 225 HE ARG 26 HE ARG 26 2.628 11.392 -13.624 226 HH11 ARG 26 HH11 ARG 26 5.847 12.384 -12.828 227 HH12 ARG 26 HH12 ARG 26 5.952 13.548 -14.107 228 HH21 ARG 26 HH21 ARG 26 2.759 12.919 -15.302 229 HH22 ARG 26 HH22 ARG 26 4.204 13.851 -15.506 230 H SER 27 HN SER 27 0.772 12.188 -9.713 231 HA SER 27 HA SER 27 -0.721 13.529 -8.580 232 HB2 SER 27 HB2 SER 27 -2.821 13.842 -9.693 233 HB3 SER 27 HB1 SER 27 -1.623 13.488 -10.935 234 HG SER 27 HG SER 27 -3.846 12.114 -10.225 235 H THR 28 HN THR 28 -0.262 11.864 -6.783 236 HA THR 28 HA THR 28 -2.852 10.776 -5.885 237 HB THR 28 HB THR 28 -0.104 9.622 -5.355 238 HG1 THR 28 HG1 THR 28 -2.194 9.011 -7.124 239 HG21 THR 28 HG21 THR 28 -1.098 8.618 -3.609 240 HG22 THR 28 HG22 THR 28 -2.648 9.353 -4.020 241 HG23 THR 28 HG23 THR 28 -2.183 7.816 -4.744 242 H TYR 29 HN TYR 29 -3.550 11.962 -4.300 243 HA TYR 29 HA TYR 29 -3.570 13.523 -2.576 244 HB2 TYR 29 HB2 TYR 29 -3.534 11.428 -1.373 245 HB3 TYR 29 HB1 TYR 29 -1.780 11.321 -1.527 246 HD1 TYR 29 HD1 TYR 29 -4.460 13.589 -0.218 247 HD2 TYR 29 HD2 TYR 29 -0.417 12.194 0.172 248 HE1 TYR 29 HE1 TYR 29 -4.204 14.916 1.860 249 HE2 TYR 29 HE2 TYR 29 -0.159 13.523 2.248 250 HH TYR 29 HH TYR 29 -1.093 15.269 3.441 251 H ALA 30 HN ALA 30 -2.440 15.203 -3.742 252 HA ALA 30 HA ALA 30 0.041 15.936 -2.399 253 HB1 ALA 30 HB1 ALA 30 0.657 16.584 -5.018 254 HB2 ALA 30 HB2 ALA 30 1.335 15.237 -4.105 255 HB3 ALA 30 HB3 ALA 30 -0.055 14.977 -5.158 256 H SER 31 HN SER 31 0.575 18.173 -2.636 257 HA SER 31 HA SER 31 0.016 20.402 -2.631 258 HB2 SER 31 HB2 SER 31 -1.707 19.858 -5.034 259 HB3 SER 31 HB1 SER 31 -0.740 21.284 -4.669 260 HG SER 31 HG SER 31 1.024 20.270 -5.323 261 H LEU 41 HN LEU 41 11.457 0.791 0.712 262 HA LEU 41 HA LEU 41 10.239 2.095 2.380 263 HB2 LEU 41 HB2 LEU 41 10.785 4.094 0.426 264 HB3 LEU 41 HB1 LEU 41 9.036 4.030 0.637 265 HG LEU 41 HG LEU 41 10.037 5.616 2.224 266 HD11 LEU 41 HD11 LEU 41 9.410 3.501 4.146 267 HD12 LEU 41 HD12 LEU 41 8.558 5.010 3.819 268 HD13 LEU 41 HD13 LEU 41 8.246 3.587 2.824 269 HD21 LEU 41 HD21 LEU 41 12.078 3.676 2.365 270 HD22 LEU 41 HD22 LEU 41 11.988 5.187 3.269 271 HD23 LEU 41 HD23 LEU 41 11.339 3.701 3.965 272 H ARG 42 HN ARG 42 9.391 1.486 -0.981 273 HA ARG 42 HA ARG 42 6.579 1.211 -0.560 274 HB2 ARG 42 HB2 ARG 42 8.417 0.230 -2.755 275 HB3 ARG 42 HB1 ARG 42 6.661 0.052 -2.797 276 HG2 ARG 42 HG2 ARG 42 6.396 2.492 -2.623 277 HG3 ARG 42 HG1 ARG 42 8.146 2.685 -2.543 278 HD2 ARG 42 HD2 ARG 42 8.372 1.692 -4.781 279 HD3 ARG 42 HD1 ARG 42 6.628 1.459 -4.863 280 HE ARG 42 HE ARG 42 6.385 3.741 -5.295 281 HH11 ARG 42 HH11 ARG 42 9.593 2.965 -4.254 282 HH12 ARG 42 HH12 ARG 42 10.242 4.525 -4.636 283 HH21 ARG 42 HH21 ARG 42 7.229 5.790 -5.792 284 HH22 ARG 42 HH22 ARG 42 8.904 6.124 -5.507 285 H VAL 43 HN VAL 43 5.335 -0.644 -0.250 286 HA VAL 43 HA VAL 43 6.809 -2.914 0.880 287 HB VAL 43 HB VAL 43 3.821 -2.404 0.896 288 HG11 VAL 43 HG11 VAL 43 4.299 -3.876 3.077 289 HG12 VAL 43 HG12 VAL 43 3.983 -4.615 1.506 290 HG13 VAL 43 HG13 VAL 43 5.636 -4.451 2.089 291 HG21 VAL 43 HG21 VAL 43 6.000 -1.222 2.466 292 HG22 VAL 43 HG22 VAL 43 4.315 -0.732 2.339 293 HG23 VAL 43 HG23 VAL 43 4.774 -2.000 3.469 294 H ARG 44 HN ARG 44 7.247 -2.980 -1.716 295 HA ARG 44 HA ARG 44 7.245 -4.413 -3.489 296 HB2 ARG 44 HB2 ARG 44 4.960 -5.946 -2.290 297 HB3 ARG 44 HB1 ARG 44 6.247 -6.520 -3.348 298 HG2 ARG 44 HG2 ARG 44 7.736 -5.616 -1.302 299 HG3 ARG 44 HG1 ARG 44 6.274 -6.057 -0.418 300 HD2 ARG 44 HD2 ARG 44 7.854 -7.860 -2.273 301 HD3 ARG 44 HD1 ARG 44 7.804 -7.971 -0.516 302 HE ARG 44 HE ARG 44 5.168 -8.146 -1.356 303 HH11 ARG 44 HH11 ARG 44 8.152 -9.816 -1.876 304 HH12 ARG 44 HH12 ARG 44 7.405 -11.357 -2.139 305 HH21 ARG 44 HH21 ARG 44 4.177 -10.164 -1.707 306 HH22 ARG 44 HH22 ARG 44 5.155 -11.554 -2.043 307 H ARG 45 HN ARG 45 5.956 -4.952 -5.382 308 HA ARG 45 HA ARG 45 3.305 -3.892 -5.584 309 HB2 ARG 45 HB2 ARG 45 4.069 -2.335 -7.461 310 HB3 ARG 45 HB1 ARG 45 4.303 -1.816 -5.813 311 HG2 ARG 45 HG2 ARG 45 6.635 -2.508 -5.867 312 HG3 ARG 45 HG1 ARG 45 6.416 -3.173 -7.487 313 HD2 ARG 45 HD2 ARG 45 5.999 -0.990 -8.408 314 HD3 ARG 45 HD1 ARG 45 5.930 -0.264 -6.806 315 HE ARG 45 HE ARG 45 8.449 -1.451 -7.077 316 HH11 ARG 45 HH11 ARG 45 6.522 1.043 -8.496 317 HH12 ARG 45 HH12 ARG 45 7.873 2.025 -8.954 318 HH21 ARG 45 HH21 ARG 45 10.234 -0.175 -7.678 319 HH22 ARG 45 HH22 ARG 45 9.977 1.333 -8.490 320 H THR 46 HN THR 46 2.434 -4.029 -7.785 321 HA THR 46 HA THR 46 2.174 -4.891 -9.886 322 HB THR 46 HB THR 46 3.886 -5.976 -11.021 323 HG1 THR 46 HG1 THR 46 5.367 -6.223 -8.664 324 HG21 THR 46 HG21 THR 46 4.285 -3.523 -9.854 325 HG22 THR 46 HG22 THR 46 5.768 -4.386 -9.443 326 HG23 THR 46 HG23 THR 46 5.291 -4.204 -11.132 327 H LEU 47 HN LEU 47 1.281 -5.973 -7.434 328 HA LEU 47 HA LEU 47 0.593 -8.651 -8.342 329 HB2 LEU 47 HB2 LEU 47 1.041 -9.365 -5.840 330 HB3 LEU 47 HB1 LEU 47 2.338 -9.391 -7.031 331 HG LEU 47 HG LEU 47 1.997 -6.754 -5.743 332 HD11 LEU 47 HD11 LEU 47 2.578 -9.218 -4.126 333 HD12 LEU 47 HD12 LEU 47 3.225 -7.648 -3.673 334 HD13 LEU 47 HD13 LEU 47 1.484 -7.876 -3.765 335 HD21 LEU 47 HD21 LEU 47 4.406 -6.865 -5.671 336 HD22 LEU 47 HD22 LEU 47 4.388 -8.614 -5.867 337 HD23 LEU 47 HD23 LEU 47 3.922 -7.581 -7.207 338 H GLN 48 HN GLN 48 0.208 -7.830 -5.004 339 HA GLN 48 HA GLN 48 -2.614 -7.098 -5.445 340 HB2 GLN 48 HB2 GLN 48 -1.771 -9.497 -4.309 341 HB3 GLN 48 HB1 GLN 48 -2.111 -8.460 -2.921 342 HG2 GLN 48 HG2 GLN 48 -4.324 -7.911 -3.900 343 HG3 GLN 48 HG1 GLN 48 -4.001 -9.046 -5.209 344 HE21 GLN 48 HE21 GLN 48 -6.000 -9.056 -2.810 345 HE22 GLN 48 HE22 GLN 48 -5.780 -10.598 -2.135 346 H CYS 49 HN CYS 49 -3.302 -5.429 -4.246 347 HA CYS 49 HA CYS 49 -1.354 -4.185 -2.408 348 HB2 CYS 49 HB2 CYS 49 -1.956 -3.150 -4.668 349 HB3 CYS 49 HB1 CYS 49 -3.514 -2.773 -3.922 350 H SER 50 HN SER 50 -1.959 -3.989 -0.358 351 HA SER 50 HA SER 50 -4.824 -3.751 0.258 352 HB2 SER 50 HB2 SER 50 -4.545 -5.240 2.189 353 HB3 SER 50 HB1 SER 50 -4.105 -6.083 0.706 354 HG SER 50 HG SER 50 -2.620 -6.179 2.618 355 H CYS 51 HN CYS 51 -5.270 -2.627 2.224 356 HA CYS 51 HA CYS 51 -2.998 -1.039 3.268 357 HB2 CYS 51 HB2 CYS 51 -5.774 0.062 2.894 358 HB3 CYS 51 HB1 CYS 51 -4.269 0.938 3.130 359 H ARG 52 HN ARG 52 -3.149 -0.418 5.478 360 HA ARG 52 HA ARG 52 -5.412 -1.512 7.011 361 HB2 ARG 52 HB2 ARG 52 -4.022 -3.208 7.573 362 HB3 ARG 52 HB1 ARG 52 -2.561 -2.310 7.170 363 HG2 ARG 52 HG2 ARG 52 -2.664 -1.100 9.245 364 HG3 ARG 52 HG1 ARG 52 -4.259 -1.746 9.604 365 HD2 ARG 52 HD2 ARG 52 -3.350 -3.980 9.854 366 HD3 ARG 52 HD1 ARG 52 -1.763 -3.429 9.318 367 HE ARG 52 HE ARG 52 -2.465 -1.861 11.518 368 HH11 ARG 52 HH11 ARG 52 -1.840 -5.180 10.755 369 HH12 ARG 52 HH12 ARG 52 -1.267 -5.573 12.341 370 HH21 ARG 52 HH21 ARG 52 -1.741 -2.381 13.600 371 HH22 ARG 52 HH22 ARG 52 -1.213 -3.992 13.951 372 H ARG 53 HN ARG 53 -5.826 -0.471 8.964 373 HA ARG 53 HA ARG 53 -5.110 2.309 8.983 374 HB2 ARG 53 HB2 ARG 53 -7.317 1.431 9.696 375 HB3 ARG 53 HB1 ARG 53 -6.537 0.808 11.135 376 HG2 ARG 53 HG2 ARG 53 -6.727 2.840 12.107 377 HG3 ARG 53 HG1 ARG 53 -5.718 3.514 10.843 378 HD2 ARG 53 HD2 ARG 53 -7.581 3.964 9.431 379 HD3 ARG 53 HD1 ARG 53 -8.681 3.078 10.492 380 HE ARG 53 HE ARG 53 -7.521 5.113 12.016 381 HH11 ARG 53 HH11 ARG 53 -9.522 4.719 9.223 382 HH12 ARG 53 HH12 ARG 53 -10.382 6.205 9.455 383 HH21 ARG 53 HH21 ARG 53 -8.645 7.067 12.332 384 HH22 ARG 53 HH22 ARG 53 -9.884 7.535 11.217 385 H VAL 54 HN VAL 54 -3.991 3.420 10.433 386 HA VAL 54 HA VAL 54 -2.741 2.482 12.762 387 HB VAL 54 HB VAL 54 -1.434 1.113 11.285 388 HG11 VAL 54 HG11 VAL 54 -0.921 3.674 9.750 389 HG12 VAL 54 HG12 VAL 54 -0.124 2.139 9.442 390 HG13 VAL 54 HG13 VAL 54 -1.861 2.291 9.216 391 HG21 VAL 54 HG21 VAL 54 -0.360 2.792 13.111 392 HG22 VAL 54 HG22 VAL 54 0.596 1.626 12.193 393 HG23 VAL 54 HG23 VAL 54 0.516 3.309 11.671 394 H CYS 55 HN CYS 55 -3.932 4.667 12.851 395 HA CYS 55 HA CYS 55 -3.651 6.859 13.461 396 HB2 CYS 55 HB2 CYS 55 -1.600 7.674 13.920 397 HB3 CYS 55 HB1 CYS 55 -0.970 6.119 13.406 398 H ARG 56 HN ARG 56 -3.562 5.500 10.524 399 HA ARG 56 HA ARG 56 -4.879 7.568 9.195 400 HB2 ARG 56 HB2 ARG 56 -2.132 8.069 9.333 401 HB3 ARG 56 HB1 ARG 56 -2.403 7.397 7.719 402 HG2 ARG 56 HG2 ARG 56 -2.730 9.747 7.455 403 HG3 ARG 56 HG1 ARG 56 -4.353 9.083 7.524 404 HD2 ARG 56 HD2 ARG 56 -4.591 9.759 9.840 405 HD3 ARG 56 HD1 ARG 56 -2.894 10.224 9.923 406 HE ARG 56 HE ARG 56 -4.009 11.728 7.872 407 HH11 ARG 56 HH11 ARG 56 -4.442 11.239 11.271 408 HH12 ARG 56 HH12 ARG 56 -5.039 12.838 11.565 409 HH21 ARG 56 HH21 ARG 56 -4.829 13.815 8.248 410 HH22 ARG 56 HH22 ARG 56 -5.259 14.293 9.858 411 H ASN 57 HN ASN 57 -2.398 5.316 8.467 412 HA ASN 57 HA ASN 57 -3.863 3.249 7.349 413 HB2 ASN 57 HB2 ASN 57 -3.634 5.573 5.616 414 HB3 ASN 57 HB1 ASN 57 -2.913 4.142 4.897 415 HD21 ASN 57 HD21 ASN 57 -5.682 4.097 7.153 416 HD22 ASN 57 HD22 ASN 57 -6.800 3.507 6.020 417 H THR 58 HN THR 58 -2.563 1.652 6.341 418 HA THR 58 HA THR 58 0.366 2.094 6.342 419 HB THR 58 HB THR 58 -0.374 -0.696 6.750 420 HG1 THR 58 HG1 THR 58 -1.994 0.169 8.036 421 HG21 THR 58 HG21 THR 58 1.329 -0.436 8.610 422 HG22 THR 58 HG22 THR 58 1.896 -0.051 6.986 423 HG23 THR 58 HG23 THR 58 1.505 1.244 8.115 424 H CYS 59 HN CYS 59 1.504 0.758 4.842 425 HA CYS 59 HA CYS 59 -0.187 -0.017 2.540 426 HB2 CYS 59 HB2 CYS 59 1.352 1.882 2.266 427 HB3 CYS 59 HB1 CYS 59 2.699 0.859 2.648 428 H SER 60 HN SER 60 -0.284 -2.092 2.112 429 HA SER 60 HA SER 60 2.097 -3.734 2.469 430 HB2 SER 60 HB2 SER 60 0.778 -5.532 3.524 431 HB3 SER 60 HB1 SER 60 0.826 -4.080 4.520 432 HG SER 60 HG SER 60 -1.289 -5.350 3.535 433 H CYS 61 HN CYS 61 2.486 -4.418 0.443 434 HA CYS 61 HA CYS 61 0.171 -5.409 -1.110 435 HB2 CYS 61 HB2 CYS 61 2.737 -4.205 -2.166 436 HB3 CYS 61 HB1 CYS 61 1.399 -4.798 -3.144 437 H ILE 62 HN ILE 62 0.221 -7.475 -1.585 438 HA ILE 62 HA ILE 62 2.734 -8.942 -1.802 439 HB ILE 62 HB ILE 62 1.653 -10.639 -0.058 440 HG12 ILE 62 HG12 ILE 62 0.698 -9.409 1.843 441 HG13 ILE 62 HG11 ILE 62 0.770 -7.910 0.922 442 HG21 ILE 62 HG21 ILE 62 3.170 -8.210 0.924 443 HG22 ILE 62 HG22 ILE 62 3.201 -9.837 1.591 444 HG23 ILE 62 HG23 ILE 62 3.939 -9.517 0.024 445 HD11 ILE 62 HD11 ILE 62 -1.465 -9.303 0.988 446 HD12 ILE 62 HD12 ILE 62 -0.939 -8.567 -0.527 447 HD13 ILE 62 HD13 ILE 62 -0.660 -10.284 -0.235 448 H ARG 63 HN ARG 63 2.491 -11.061 -2.613 449 HA ARG 63 HA ARG 63 0.028 -11.403 -4.146 450 HB2 ARG 63 HB2 ARG 63 1.279 -13.127 -5.366 451 HB3 ARG 63 HB1 ARG 63 2.180 -11.611 -5.316 452 HG2 ARG 63 HG2 ARG 63 3.451 -12.478 -3.349 453 HG3 ARG 63 HG1 ARG 63 2.616 -14.022 -3.531 454 HD2 ARG 63 HD2 ARG 63 3.531 -14.290 -5.779 455 HD3 ARG 63 HD1 ARG 63 4.302 -12.709 -5.680 456 HE ARG 63 HE ARG 63 5.943 -13.636 -4.299 457 HH11 ARG 63 HH11 ARG 63 3.300 -15.813 -4.809 458 HH12 ARG 63 HH12 ARG 63 4.115 -17.181 -4.126 459 HH21 ARG 63 HH21 ARG 63 7.019 -15.427 -3.410 460 HH22 ARG 63 HH22 ARG 63 6.221 -16.961 -3.335 461 H LEU 64 HN LEU 64 0.896 -12.146 -1.145 462 HA LEU 64 HA LEU 64 -0.351 -14.836 -1.181 463 HB2 LEU 64 HB2 LEU 64 1.418 -13.593 0.936 464 HB3 LEU 64 HB1 LEU 64 0.761 -15.228 0.965 465 HG LEU 64 HG LEU 64 2.630 -14.129 -1.157 466 HD11 LEU 64 HD11 LEU 64 3.835 -16.279 0.125 467 HD12 LEU 64 HD12 LEU 64 4.215 -14.577 0.390 468 HD13 LEU 64 HD13 LEU 64 3.062 -15.397 1.443 469 HD21 LEU 64 HD21 LEU 64 1.112 -16.689 -0.823 470 HD22 LEU 64 HD22 LEU 64 1.499 -15.800 -2.296 471 HD23 LEU 64 HD23 LEU 64 2.737 -16.773 -1.502 472 H SER 65 HN SER 65 -2.140 -15.245 -0.007 473 HA SER 65 HA SER 65 -3.694 -13.015 0.945 474 HB2 SER 65 HB2 SER 65 -5.433 -14.648 1.332 475 HB3 SER 65 HB1 SER 65 -4.673 -15.001 -0.217 476 HG SER 65 HG SER 65 -3.465 -16.197 1.941 477 H ARG 66 HN ARG 66 -1.324 -14.974 2.324 478 HA ARG 66 HA ARG 66 -2.318 -15.269 4.965 479 HB2 ARG 66 HB2 ARG 66 0.491 -15.242 3.856 480 HB3 ARG 66 HB1 ARG 66 0.122 -15.575 5.548 481 HG2 ARG 66 HG2 ARG 66 -1.432 -17.411 4.750 482 HG3 ARG 66 HG1 ARG 66 -0.785 -17.157 3.129 483 HD2 ARG 66 HD2 ARG 66 0.896 -17.816 5.561 484 HD3 ARG 66 HD1 ARG 66 0.369 -18.999 4.368 485 HE ARG 66 HE ARG 66 2.421 -16.956 4.006 486 HH11 ARG 66 HH11 ARG 66 0.283 -19.291 2.599 487 HH12 ARG 66 HH12 ARG 66 1.202 -19.452 1.140 488 HH21 ARG 66 HH21 ARG 66 3.627 -17.169 2.096 489 HH22 ARG 66 HH22 ARG 66 3.093 -18.252 0.856 490 H SER 67 HN SER 67 -1.564 -14.194 6.884 491 HA SER 67 HA SER 67 -2.043 -11.492 6.944 492 HB2 SER 67 HB2 SER 67 -0.255 -13.087 8.793 493 HB3 SER 67 HB1 SER 67 -0.880 -11.476 9.137 494 HG SER 67 HG SER 67 -2.945 -12.873 8.397 495 H THR 68 HN THR 68 -1.042 -9.848 6.079 496 HA THR 68 HA THR 68 1.656 -10.054 5.088 497 HB THR 68 HB THR 68 -0.189 -8.818 3.917 498 HG1 THR 68 HG1 THR 68 1.768 -6.932 4.498 499 HG21 THR 68 HG21 THR 68 -0.980 -6.746 4.731 500 HG22 THR 68 HG22 THR 68 -0.995 -7.802 6.143 501 HG23 THR 68 HG23 THR 68 0.308 -6.631 5.931 502 H TYR 69 HN TYR 69 0.002 -8.154 7.608 503 HA TYR 69 HA TYR 69 2.598 -7.820 8.952 504 HB2 TYR 69 HB2 TYR 69 2.248 -5.745 7.711 505 HB3 TYR 69 HB1 TYR 69 0.638 -5.576 8.411 506 HD1 TYR 69 HD1 TYR 69 4.196 -6.086 9.485 507 HD2 TYR 69 HD2 TYR 69 0.397 -4.266 10.343 508 HE1 TYR 69 HE1 TYR 69 5.183 -4.950 11.455 509 HE2 TYR 69 HE2 TYR 69 1.386 -3.136 12.314 510 HH TYR 69 HH TYR 69 3.419 -3.629 13.889 511 H ALA 70 HN ALA 70 2.492 -8.254 11.061 512 HA ALA 70 HA ALA 70 1.650 -8.688 13.155 513 HB1 ALA 70 HB1 ALA 70 -0.931 -7.330 12.533 514 HB2 ALA 70 HB2 ALA 70 0.052 -7.258 13.994 515 HB3 ALA 70 HB3 ALA 70 0.536 -6.351 12.561 516 H SER 71 HN SER 71 -0.772 -9.367 14.123 517 HA SER 71 HA SER 71 -2.017 -11.310 14.326 518 HB2 SER 71 HB2 SER 71 -3.728 -11.488 12.633 519 HB3 SER 71 HB1 SER 71 -3.401 -9.779 12.905 520 HG SER 71 HG SER 71 -2.566 -9.629 10.962 Start of MODEL 6 1 H LEU 1 HN LEU 1 -13.675 6.570 -1.198 2 HA LEU 1 HA LEU 1 -11.544 6.843 -3.148 3 HB2 LEU 1 HB2 LEU 1 -11.280 8.172 -0.440 4 HB3 LEU 1 HB1 LEU 1 -10.021 8.061 -1.669 5 HG LEU 1 HG LEU 1 -12.689 9.464 -2.018 6 HD11 LEU 1 HD11 LEU 1 -10.814 10.464 -0.481 7 HD12 LEU 1 HD12 LEU 1 -9.996 10.801 -2.007 8 HD13 LEU 1 HD13 LEU 1 -11.584 11.497 -1.685 9 HD21 LEU 1 HD21 LEU 1 -12.117 8.878 -4.188 10 HD22 LEU 1 HD22 LEU 1 -11.219 10.387 -4.034 11 HD23 LEU 1 HD23 LEU 1 -10.390 8.843 -3.837 12 H ARG 2 HN ARG 2 -11.034 4.729 -3.162 13 HA ARG 2 HA ARG 2 -10.172 3.526 -0.608 14 HB2 ARG 2 HB2 ARG 2 -12.407 2.644 -1.183 15 HB3 ARG 2 HB1 ARG 2 -11.788 2.125 -2.750 16 HG2 ARG 2 HG2 ARG 2 -10.213 0.610 -1.690 17 HG3 ARG 2 HG1 ARG 2 -10.660 1.206 -0.092 18 HD2 ARG 2 HD2 ARG 2 -12.591 -0.129 -2.006 19 HD3 ARG 2 HD1 ARG 2 -11.761 -0.966 -0.698 20 HE ARG 2 HE ARG 2 -13.049 1.255 0.419 21 HH11 ARG 2 HH11 ARG 2 -13.804 -1.685 -1.242 22 HH12 ARG 2 HH12 ARG 2 -15.341 -1.889 -0.470 23 HH21 ARG 2 HH21 ARG 2 -15.064 0.992 1.437 24 HH22 ARG 2 HH22 ARG 2 -16.055 -0.373 1.046 25 H VAL 3 HN VAL 3 -8.241 2.529 -0.702 26 HA VAL 3 HA VAL 3 -6.987 2.232 -3.359 27 HB VAL 3 HB VAL 3 -4.820 2.301 -1.990 28 HG11 VAL 3 HG11 VAL 3 -6.742 4.597 -2.316 29 HG12 VAL 3 HG12 VAL 3 -5.134 4.860 -1.640 30 HG13 VAL 3 HG13 VAL 3 -5.311 4.212 -3.271 31 HG21 VAL 3 HG21 VAL 3 -5.032 3.484 0.211 32 HG22 VAL 3 HG22 VAL 3 -6.784 3.311 0.103 33 HG23 VAL 3 HG23 VAL 3 -5.764 1.880 0.236 34 H ARG 4 HN ARG 4 -6.864 0.213 -4.060 35 HA ARG 4 HA ARG 4 -5.788 -1.924 -2.529 36 HB2 ARG 4 HB2 ARG 4 -8.260 -1.578 -1.696 37 HB3 ARG 4 HB1 ARG 4 -8.666 -2.425 -3.186 38 HG2 ARG 4 HG2 ARG 4 -7.155 -4.278 -2.530 39 HG3 ARG 4 HG1 ARG 4 -6.780 -3.421 -1.043 40 HD2 ARG 4 HD2 ARG 4 -9.184 -3.485 -0.425 41 HD3 ARG 4 HD1 ARG 4 -9.502 -4.437 -1.873 42 HE ARG 4 HE ARG 4 -7.460 -5.710 -0.414 43 HH11 ARG 4 HH11 ARG 4 -10.813 -4.895 -0.178 44 HH12 ARG 4 HH12 ARG 4 -11.215 -6.256 0.814 45 HH21 ARG 4 HH21 ARG 4 -7.980 -7.501 0.880 46 HH22 ARG 4 HH22 ARG 4 -9.613 -7.732 1.413 47 H ARG 5 HN ARG 5 -7.725 -3.705 -4.057 48 HA ARG 5 HA ARG 5 -7.784 -4.878 -6.008 49 HB2 ARG 5 HB2 ARG 5 -6.920 -2.261 -7.204 50 HB3 ARG 5 HB1 ARG 5 -7.590 -3.623 -8.092 51 HG2 ARG 5 HG2 ARG 5 -9.661 -3.459 -6.725 52 HG3 ARG 5 HG1 ARG 5 -8.995 -2.035 -5.924 53 HD2 ARG 5 HD2 ARG 5 -8.811 -0.915 -8.143 54 HD3 ARG 5 HD1 ARG 5 -9.575 -2.315 -8.888 55 HE ARG 5 HE ARG 5 -10.881 -0.257 -7.313 56 HH11 ARG 5 HH11 ARG 5 -10.965 -3.488 -8.543 57 HH12 ARG 5 HH12 ARG 5 -12.690 -3.624 -8.457 58 HH21 ARG 5 HH21 ARG 5 -13.142 -0.424 -7.200 59 HH22 ARG 5 HH22 ARG 5 -13.923 -1.888 -7.697 60 H THR 6 HN THR 6 -5.839 -3.935 -8.232 61 HA THR 6 HA THR 6 -3.356 -5.089 -7.118 62 HB THR 6 HB THR 6 -3.132 -6.362 -9.289 63 HG1 THR 6 HG1 THR 6 -5.787 -5.431 -9.479 64 HG21 THR 6 HG21 THR 6 -4.768 -6.928 -6.974 65 HG22 THR 6 HG22 THR 6 -5.448 -7.712 -8.397 66 HG23 THR 6 HG23 THR 6 -3.783 -8.036 -7.925 67 H LEU 7 HN LEU 7 -4.394 -4.148 -10.353 68 HA LEU 7 HA LEU 7 -2.969 -3.109 -11.954 69 HB2 LEU 7 HB2 LEU 7 -3.416 -0.574 -11.496 70 HB3 LEU 7 HB1 LEU 7 -4.730 -1.668 -11.904 71 HG LEU 7 HG LEU 7 -4.151 -1.533 -9.003 72 HD11 LEU 7 HD11 LEU 7 -4.906 0.914 -10.525 73 HD12 LEU 7 HD12 LEU 7 -5.403 0.673 -8.857 74 HD13 LEU 7 HD13 LEU 7 -3.692 0.711 -9.260 75 HD21 LEU 7 HD21 LEU 7 -6.688 -1.031 -9.076 76 HD22 LEU 7 HD22 LEU 7 -6.595 -1.377 -10.788 77 HD23 LEU 7 HD23 LEU 7 -6.167 -2.622 -9.618 78 H GLN 8 HN GLN 8 -2.446 -0.462 -9.787 79 HA GLN 8 HA GLN 8 0.441 -1.079 -9.711 80 HB2 GLN 8 HB2 GLN 8 -0.630 0.949 -11.233 81 HB3 GLN 8 HB1 GLN 8 -0.298 1.772 -9.705 82 HG2 GLN 8 HG2 GLN 8 1.714 1.979 -10.939 83 HG3 GLN 8 HG1 GLN 8 2.014 0.673 -9.791 84 HE21 GLN 8 HE21 GLN 8 3.688 0.377 -11.804 85 HE22 GLN 8 HE22 GLN 8 3.154 -0.733 -12.972 86 H CYS 9 HN CYS 9 1.376 -0.823 -7.832 87 HA CYS 9 HA CYS 9 -0.205 0.342 -5.657 88 HB2 CYS 9 HB2 CYS 9 -0.352 -1.888 -5.221 89 HB3 CYS 9 HB1 CYS 9 1.229 -2.246 -5.874 90 H SER 10 HN SER 10 0.647 1.991 -4.731 91 HA SER 10 HA SER 10 3.578 2.167 -4.467 92 HB2 SER 10 HB2 SER 10 1.667 4.405 -5.182 93 HB3 SER 10 HB1 SER 10 3.382 4.609 -4.835 94 HG SER 10 HG SER 10 2.592 2.724 -6.752 95 H CYS 11 HN CYS 11 4.312 3.114 -2.549 96 HA CYS 11 HA CYS 11 2.253 3.816 -0.550 97 HB2 CYS 11 HB2 CYS 11 4.721 2.295 0.213 98 HB3 CYS 11 HB1 CYS 11 3.192 2.431 1.075 99 H ARG 12 HN ARG 12 3.099 5.170 1.216 100 HA ARG 12 HA ARG 12 5.747 6.388 0.780 101 HB2 ARG 12 HB2 ARG 12 4.907 8.656 0.645 102 HB3 ARG 12 HB1 ARG 12 4.144 7.707 -0.632 103 HG2 ARG 12 HG2 ARG 12 2.196 7.331 0.934 104 HG3 ARG 12 HG1 ARG 12 2.932 8.493 2.035 105 HD2 ARG 12 HD2 ARG 12 1.303 9.641 0.668 106 HD3 ARG 12 HD1 ARG 12 2.913 10.185 0.212 107 HE ARG 12 HE ARG 12 2.606 9.191 -1.871 108 HH11 ARG 12 HH11 ARG 12 0.217 8.133 0.400 109 HH12 ARG 12 HH12 ARG 12 -0.744 7.315 -0.786 110 HH21 ARG 12 HH21 ARG 12 1.352 8.121 -3.427 111 HH22 ARG 12 HH22 ARG 12 -0.101 7.308 -2.953 112 H ARG 13 HN ARG 13 6.632 7.255 2.644 113 HA ARG 13 HA ARG 13 5.763 6.351 5.130 114 HB2 ARG 13 HB2 ARG 13 8.038 7.092 4.704 115 HB3 ARG 13 HB1 ARG 13 7.455 8.747 4.609 116 HG2 ARG 13 HG2 ARG 13 7.045 8.891 6.878 117 HG3 ARG 13 HG1 ARG 13 6.731 7.165 7.035 118 HD2 ARG 13 HD2 ARG 13 9.056 6.640 6.859 119 HD3 ARG 13 HD1 ARG 13 9.466 8.303 6.436 120 HE ARG 13 HE ARG 13 9.272 8.876 8.697 121 HH11 ARG 13 HH11 ARG 13 8.105 5.680 8.072 122 HH12 ARG 13 HH12 ARG 13 7.994 5.245 9.745 123 HH21 ARG 13 HH21 ARG 13 9.150 8.306 10.890 124 HH22 ARG 13 HH22 ARG 13 8.587 6.731 11.340 125 H VAL 14 HN VAL 14 4.843 7.303 6.861 126 HA VAL 14 HA VAL 14 3.883 9.881 7.214 127 HB VAL 14 HB VAL 14 2.504 9.559 5.282 128 HG11 VAL 14 HG11 VAL 14 1.892 6.922 6.579 129 HG12 VAL 14 HG12 VAL 14 0.715 7.667 5.503 130 HG13 VAL 14 HG13 VAL 14 2.323 7.287 4.916 131 HG21 VAL 14 HG21 VAL 14 0.464 9.062 7.360 132 HG22 VAL 14 HG22 VAL 14 1.563 10.406 7.656 133 HG23 VAL 14 HG23 VAL 14 0.582 10.373 6.191 134 H CYS 15 HN CYS 15 4.846 8.649 9.185 135 HA CYS 15 HA CYS 15 4.428 8.002 11.346 136 HB2 CYS 15 HB2 CYS 15 2.482 8.703 12.222 137 HB3 CYS 15 HB1 CYS 15 1.925 9.066 10.595 138 H ARG 16 HN ARG 16 3.416 6.311 8.644 139 HA ARG 16 HA ARG 16 4.232 3.810 9.578 140 HB2 ARG 16 HB2 ARG 16 1.699 4.467 10.572 141 HB3 ARG 16 HB1 ARG 16 1.395 3.430 9.174 142 HG2 ARG 16 HG2 ARG 16 1.662 1.878 10.960 143 HG3 ARG 16 HG1 ARG 16 3.228 1.882 10.169 144 HD2 ARG 16 HD2 ARG 16 4.171 3.318 11.851 145 HD3 ARG 16 HD1 ARG 16 2.587 3.649 12.548 146 HE ARG 16 HE ARG 16 2.998 0.885 12.677 147 HH11 ARG 16 HH11 ARG 16 4.334 3.834 13.894 148 HH12 ARG 16 HH12 ARG 16 4.915 3.129 15.366 149 HH21 ARG 16 HH21 ARG 16 3.772 -0.057 14.592 150 HH22 ARG 16 HH22 ARG 16 4.596 0.921 15.761 151 H ASN 17 HN ASN 17 3.746 5.724 7.288 152 HA ASN 17 HA ASN 17 3.802 5.450 5.021 153 HB2 ASN 17 HB2 ASN 17 4.605 3.043 5.799 154 HB3 ASN 17 HB1 ASN 17 3.054 2.611 5.110 155 HD21 ASN 17 HD21 ASN 17 5.812 2.026 4.052 156 HD22 ASN 17 HD22 ASN 17 5.841 2.694 2.492 157 H THR 18 HN THR 18 2.362 5.449 3.356 158 HA THR 18 HA THR 18 -0.464 5.017 4.061 159 HB THR 18 HB THR 18 -0.252 6.634 1.722 160 HG1 THR 18 HG1 THR 18 1.819 7.120 2.890 161 HG21 THR 18 HG21 THR 18 -1.282 7.146 4.513 162 HG22 THR 18 HG22 THR 18 -1.493 8.268 3.176 163 HG23 THR 18 HG23 THR 18 -2.200 6.657 3.092 164 H CYS 19 HN CYS 19 -1.827 4.408 2.280 165 HA CYS 19 HA CYS 19 -0.408 2.677 0.347 166 HB2 CYS 19 HB2 CYS 19 -1.903 1.712 2.171 167 HB3 CYS 19 HB1 CYS 19 -3.254 2.436 1.322 168 H SER 20 HN SER 20 -0.634 3.132 -1.737 169 HA SER 20 HA SER 20 -3.071 4.458 -2.665 170 HB2 SER 20 HB2 SER 20 -1.691 5.996 -4.078 171 HB3 SER 20 HB1 SER 20 -1.570 6.320 -2.350 172 HG SER 20 HG SER 20 0.237 4.710 -3.844 173 H CYS 21 HN CYS 21 -3.824 2.940 -4.014 174 HA CYS 21 HA CYS 21 -1.942 1.879 -6.009 175 HB2 CYS 21 HB2 CYS 21 -4.340 0.441 -4.842 176 HB3 CYS 21 HB1 CYS 21 -3.328 -0.172 -6.139 177 H ILE 22 HN ILE 22 -2.355 2.446 -8.001 178 HA ILE 22 HA ILE 22 -5.060 2.911 -8.968 179 HB ILE 22 HB ILE 22 -4.225 5.278 -9.774 180 HG12 ILE 22 HG12 ILE 22 -2.849 6.397 -8.071 181 HG13 ILE 22 HG11 ILE 22 -2.678 4.877 -7.197 182 HG21 ILE 22 HG21 ILE 22 -5.033 5.048 -6.873 183 HG22 ILE 22 HG22 ILE 22 -5.473 6.296 -8.033 184 HG23 ILE 22 HG23 ILE 22 -6.173 4.686 -8.169 185 HD11 ILE 22 HD11 ILE 22 -0.795 5.604 -8.861 186 HD12 ILE 22 HD12 ILE 22 -1.332 3.923 -8.867 187 HD13 ILE 22 HD13 ILE 22 -1.915 5.042 -10.098 188 H ARG 23 HN ARG 23 -5.013 3.721 -11.307 189 HA ARG 23 HA ARG 23 -2.959 2.176 -12.704 190 HB2 ARG 23 HB2 ARG 23 -5.443 3.546 -13.767 191 HB3 ARG 23 HB1 ARG 23 -4.367 2.506 -14.699 192 HG2 ARG 23 HG2 ARG 23 -4.829 0.676 -13.011 193 HG3 ARG 23 HG1 ARG 23 -6.072 1.724 -12.329 194 HD2 ARG 23 HD2 ARG 23 -7.190 1.821 -14.533 195 HD3 ARG 23 HD1 ARG 23 -5.974 0.726 -15.184 196 HE ARG 23 HE ARG 23 -7.164 -0.427 -12.880 197 HH11 ARG 23 HH11 ARG 23 -7.801 0.398 -16.180 198 HH12 ARG 23 HH12 ARG 23 -8.965 -0.862 -16.413 199 HH21 ARG 23 HH21 ARG 23 -8.688 -2.078 -13.177 200 HH22 ARG 23 HH22 ARG 23 -9.469 -2.265 -14.712 201 H LEU 24 HN LEU 24 -3.067 5.149 -11.517 202 HA LEU 24 HA LEU 24 -1.999 6.526 -13.885 203 HB2 LEU 24 HB2 LEU 24 -3.056 7.411 -11.236 204 HB3 LEU 24 HB1 LEU 24 -1.981 8.476 -12.140 205 HG LEU 24 HG LEU 24 -4.429 8.825 -12.618 206 HD11 LEU 24 HD11 LEU 24 -3.563 7.936 -15.246 207 HD12 LEU 24 HD12 LEU 24 -3.840 9.574 -14.659 208 HD13 LEU 24 HD13 LEU 24 -2.279 8.798 -14.401 209 HD21 LEU 24 HD21 LEU 24 -5.717 7.188 -13.723 210 HD22 LEU 24 HD22 LEU 24 -4.295 6.240 -14.156 211 HD23 LEU 24 HD23 LEU 24 -4.854 6.279 -12.484 212 H SER 25 HN SER 25 0.113 6.797 -14.204 213 HA SER 25 HA SER 25 2.038 5.747 -12.374 214 HB2 SER 25 HB2 SER 25 3.693 6.474 -13.973 215 HB3 SER 25 HB1 SER 25 2.327 5.802 -14.858 216 HG SER 25 HG SER 25 3.023 7.813 -15.713 217 H ARG 26 HN ARG 26 0.514 8.801 -12.728 218 HA ARG 26 HA ARG 26 2.556 10.430 -11.575 219 HB2 ARG 26 HB2 ARG 26 -0.377 10.772 -12.099 220 HB3 ARG 26 HB1 ARG 26 0.505 11.962 -11.141 221 HG2 ARG 26 HG2 ARG 26 1.732 11.081 -13.709 222 HG3 ARG 26 HG1 ARG 26 0.339 12.157 -13.800 223 HD2 ARG 26 HD2 ARG 26 2.823 12.684 -12.144 224 HD3 ARG 26 HD1 ARG 26 2.505 13.393 -13.724 225 HE ARG 26 HE ARG 26 0.284 13.993 -12.188 226 HH11 ARG 26 HH11 ARG 26 3.705 14.500 -12.048 227 HH12 ARG 26 HH12 ARG 26 3.586 15.995 -11.182 228 HH21 ARG 26 HH21 ARG 26 0.122 15.947 -11.044 229 HH22 ARG 26 HH22 ARG 26 1.557 16.815 -10.614 230 H SER 27 HN SER 27 2.612 11.366 -9.520 231 HA SER 27 HA SER 27 1.735 9.545 -7.414 232 HB2 SER 27 HB2 SER 27 4.013 10.350 -7.273 233 HB3 SER 27 HB1 SER 27 3.471 12.023 -7.369 234 HG SER 27 HG SER 27 3.739 10.499 -5.220 235 H THR 28 HN THR 28 -0.277 9.775 -6.744 236 HA THR 28 HA THR 28 -1.378 12.491 -6.411 237 HB THR 28 HB THR 28 -2.832 9.850 -6.648 238 HG1 THR 28 HG1 THR 28 -1.707 10.950 -8.532 239 HG21 THR 28 HG21 THR 28 -4.098 11.417 -5.310 240 HG22 THR 28 HG22 THR 28 -3.787 12.715 -6.462 241 HG23 THR 28 HG23 THR 28 -4.821 11.360 -6.918 242 H TYR 29 HN TYR 29 -0.920 13.080 -4.419 243 HA TYR 29 HA TYR 29 -1.669 11.282 -2.194 244 HB2 TYR 29 HB2 TYR 29 0.708 11.465 -2.123 245 HB3 TYR 29 HB1 TYR 29 0.647 13.209 -2.384 246 HD1 TYR 29 HD1 TYR 29 -0.712 10.620 -0.018 247 HD2 TYR 29 HD2 TYR 29 0.810 14.607 -0.519 248 HE1 TYR 29 HE1 TYR 29 -0.846 10.978 2.429 249 HE2 TYR 29 HE2 TYR 29 0.670 14.965 1.930 250 HH TYR 29 HH TYR 29 -0.632 14.025 3.852 251 H ALA 30 HN ALA 30 -3.116 12.033 -0.802 252 HA ALA 30 HA ALA 30 -4.498 14.454 -1.255 253 HB1 ALA 30 HB1 ALA 30 -4.720 12.178 0.492 254 HB2 ALA 30 HB2 ALA 30 -4.963 13.664 1.412 255 HB3 ALA 30 HB3 ALA 30 -5.967 13.325 0.002 256 H SER 31 HN SER 31 -4.474 16.412 -0.186 257 HA SER 31 HA SER 31 -2.448 16.842 1.894 258 HB2 SER 31 HB2 SER 31 -2.076 19.097 0.454 259 HB3 SER 31 HB1 SER 31 -1.072 17.660 0.279 260 HG SER 31 HG SER 31 -1.979 17.254 -1.594 261 H LEU 41 HN LEU 41 10.144 5.712 0.476 262 HA LEU 41 HA LEU 41 10.426 4.078 -1.156 263 HB2 LEU 41 HB2 LEU 41 10.518 1.761 0.428 264 HB3 LEU 41 HB1 LEU 41 11.879 2.773 -0.052 265 HG LEU 41 HG LEU 41 11.517 4.196 1.944 266 HD11 LEU 41 HD11 LEU 41 9.493 4.137 2.938 267 HD12 LEU 41 HD12 LEU 41 9.032 2.718 1.998 268 HD13 LEU 41 HD13 LEU 41 9.881 2.522 3.531 269 HD21 LEU 41 HD21 LEU 41 12.468 1.515 1.870 270 HD22 LEU 41 HD22 LEU 41 12.946 2.800 2.979 271 HD23 LEU 41 HD23 LEU 41 11.616 1.721 3.401 272 H ARG 42 HN ARG 42 9.711 1.575 -1.583 273 HA ARG 42 HA ARG 42 6.753 1.612 -1.462 274 HB2 ARG 42 HB2 ARG 42 8.589 0.382 -3.531 275 HB3 ARG 42 HB1 ARG 42 6.827 0.289 -3.547 276 HG2 ARG 42 HG2 ARG 42 6.704 2.758 -3.645 277 HG3 ARG 42 HG1 ARG 42 8.466 2.839 -3.663 278 HD2 ARG 42 HD2 ARG 42 8.460 1.459 -5.747 279 HD3 ARG 42 HD1 ARG 42 6.701 1.531 -5.750 280 HE ARG 42 HE ARG 42 8.525 3.682 -6.448 281 HH11 ARG 42 HH11 ARG 42 5.341 2.735 -5.475 282 HH12 ARG 42 HH12 ARG 42 4.581 4.161 -6.097 283 HH21 ARG 42 HH21 ARG 42 7.534 5.557 -7.255 284 HH22 ARG 42 HH22 ARG 42 5.821 5.760 -7.101 285 H VAL 43 HN VAL 43 5.750 -0.045 -0.495 286 HA VAL 43 HA VAL 43 7.185 -1.988 0.962 287 HB VAL 43 HB VAL 43 4.256 -1.795 0.234 288 HG11 VAL 43 HG11 VAL 43 4.048 -3.460 2.185 289 HG12 VAL 43 HG12 VAL 43 4.579 -4.101 0.630 290 HG13 VAL 43 HG13 VAL 43 5.757 -3.802 1.909 291 HG21 VAL 43 HG21 VAL 43 4.411 -1.501 2.931 292 HG22 VAL 43 HG22 VAL 43 5.963 -0.811 2.467 293 HG23 VAL 43 HG23 VAL 43 4.473 -0.146 1.810 294 H ARG 44 HN ARG 44 5.511 -2.122 -2.118 295 HA ARG 44 HA ARG 44 7.130 -4.369 -2.938 296 HB2 ARG 44 HB2 ARG 44 4.542 -4.840 -1.825 297 HB3 ARG 44 HB1 ARG 44 4.481 -5.229 -3.541 298 HG2 ARG 44 HG2 ARG 44 6.665 -6.247 -1.697 299 HG3 ARG 44 HG1 ARG 44 5.171 -7.129 -1.988 300 HD2 ARG 44 HD2 ARG 44 5.659 -7.457 -4.273 301 HD3 ARG 44 HD1 ARG 44 6.884 -6.197 -4.290 302 HE ARG 44 HE ARG 44 8.413 -7.713 -3.385 303 HH11 ARG 44 HH11 ARG 44 5.183 -8.957 -3.386 304 HH12 ARG 44 HH12 ARG 44 5.660 -10.573 -2.986 305 HH21 ARG 44 HH21 ARG 44 9.042 -9.826 -2.858 306 HH22 ARG 44 HH22 ARG 44 7.845 -11.065 -2.688 307 H ARG 45 HN ARG 45 5.707 -5.204 -5.143 308 HA ARG 45 HA ARG 45 6.007 -2.889 -6.872 309 HB2 ARG 45 HB2 ARG 45 5.599 -5.801 -7.513 310 HB3 ARG 45 HB1 ARG 45 5.847 -4.534 -8.710 311 HG2 ARG 45 HG2 ARG 45 8.019 -3.983 -7.666 312 HG3 ARG 45 HG1 ARG 45 7.772 -5.269 -6.484 313 HD2 ARG 45 HD2 ARG 45 9.193 -6.110 -8.271 314 HD3 ARG 45 HD1 ARG 45 7.627 -6.910 -8.364 315 HE ARG 45 HE ARG 45 7.249 -5.832 -10.396 316 HH11 ARG 45 HH11 ARG 45 9.936 -4.454 -8.706 317 HH12 ARG 45 HH12 ARG 45 10.446 -3.470 -10.038 318 HH21 ARG 45 HH21 ARG 45 7.913 -4.546 -12.147 319 HH22 ARG 45 HH22 ARG 45 9.301 -3.523 -11.986 320 H THR 46 HN THR 46 3.960 -5.164 -8.185 321 HA THR 46 HA THR 46 1.623 -3.369 -7.855 322 HB THR 46 HB THR 46 0.910 -4.422 -10.073 323 HG1 THR 46 HG1 THR 46 3.633 -4.962 -10.406 324 HG21 THR 46 HG21 THR 46 1.715 -2.550 -11.065 325 HG22 THR 46 HG22 THR 46 2.506 -2.186 -9.536 326 HG23 THR 46 HG23 THR 46 3.384 -3.044 -10.798 327 H LEU 47 HN LEU 47 2.261 -6.702 -8.820 328 HA LEU 47 HA LEU 47 0.697 -8.490 -8.702 329 HB2 LEU 47 HB2 LEU 47 1.057 -9.341 -6.270 330 HB3 LEU 47 HB1 LEU 47 2.429 -9.205 -7.372 331 HG LEU 47 HG LEU 47 1.788 -6.765 -5.819 332 HD11 LEU 47 HD11 LEU 47 2.577 -9.342 -4.547 333 HD12 LEU 47 HD12 LEU 47 3.223 -7.818 -3.933 334 HD13 LEU 47 HD13 LEU 47 1.489 -8.062 -4.002 335 HD21 LEU 47 HD21 LEU 47 4.155 -6.511 -5.851 336 HD22 LEU 47 HD22 LEU 47 4.411 -8.227 -6.170 337 HD23 LEU 47 HD23 LEU 47 3.745 -7.187 -7.429 338 H GLN 48 HN GLN 48 0.170 -7.836 -5.349 339 HA GLN 48 HA GLN 48 -2.654 -7.193 -5.880 340 HB2 GLN 48 HB2 GLN 48 -1.669 -9.549 -4.674 341 HB3 GLN 48 HB1 GLN 48 -2.301 -8.548 -3.362 342 HG2 GLN 48 HG2 GLN 48 -3.815 -9.221 -5.901 343 HG3 GLN 48 HG1 GLN 48 -4.044 -10.025 -4.349 344 HE21 GLN 48 HE21 GLN 48 -6.126 -8.504 -5.709 345 HE22 GLN 48 HE22 GLN 48 -6.506 -7.179 -4.716 346 H CYS 49 HN CYS 49 -3.557 -5.734 -4.535 347 HA CYS 49 HA CYS 49 -1.699 -4.305 -2.760 348 HB2 CYS 49 HB2 CYS 49 -2.243 -3.108 -4.758 349 HB3 CYS 49 HB1 CYS 49 -3.962 -3.348 -4.457 350 H SER 50 HN SER 50 -2.163 -4.203 -0.722 351 HA SER 50 HA SER 50 -4.966 -4.215 0.080 352 HB2 SER 50 HB2 SER 50 -2.816 -5.886 1.398 353 HB3 SER 50 HB1 SER 50 -4.481 -5.730 1.949 354 HG SER 50 HG SER 50 -4.899 -7.281 0.601 355 H CYS 51 HN CYS 51 -5.426 -2.838 1.757 356 HA CYS 51 HA CYS 51 -3.155 -1.525 3.115 357 HB2 CYS 51 HB2 CYS 51 -5.552 0.063 2.284 358 HB3 CYS 51 HB1 CYS 51 -3.916 0.616 2.614 359 H ARG 52 HN ARG 52 -3.802 -0.455 5.156 360 HA ARG 52 HA ARG 52 -6.447 -1.173 6.228 361 HB2 ARG 52 HB2 ARG 52 -5.581 -2.402 8.131 362 HB3 ARG 52 HB1 ARG 52 -5.002 -3.175 6.654 363 HG2 ARG 52 HG2 ARG 52 -2.882 -1.834 6.871 364 HG3 ARG 52 HG1 ARG 52 -3.448 -1.282 8.446 365 HD2 ARG 52 HD2 ARG 52 -2.007 -3.165 8.820 366 HD3 ARG 52 HD1 ARG 52 -3.659 -3.690 9.133 367 HE ARG 52 HE ARG 52 -3.513 -5.093 7.278 368 HH11 ARG 52 HH11 ARG 52 -0.909 -2.816 7.372 369 HH12 ARG 52 HH12 ARG 52 -0.026 -3.562 6.082 370 HH21 ARG 52 HH21 ARG 52 -2.372 -6.068 5.576 371 HH22 ARG 52 HH22 ARG 52 -0.855 -5.404 5.064 372 H ARG 53 HN ARG 53 -7.069 0.085 8.004 373 HA ARG 53 HA ARG 53 -6.015 2.654 8.275 374 HB2 ARG 53 HB2 ARG 53 -8.248 2.129 8.994 375 HB3 ARG 53 HB1 ARG 53 -7.595 1.120 10.279 376 HG2 ARG 53 HG2 ARG 53 -6.633 2.971 11.411 377 HG3 ARG 53 HG1 ARG 53 -6.834 4.021 10.007 378 HD2 ARG 53 HD2 ARG 53 -9.200 4.047 10.260 379 HD3 ARG 53 HD1 ARG 53 -9.161 2.771 11.475 380 HE ARG 53 HE ARG 53 -7.622 4.892 12.452 381 HH11 ARG 53 HH11 ARG 53 -10.872 4.231 11.482 382 HH12 ARG 53 HH12 ARG 53 -11.583 5.363 12.584 383 HH21 ARG 53 HH21 ARG 53 -8.546 6.374 13.917 384 HH22 ARG 53 HH22 ARG 53 -10.265 6.576 13.963 385 H VAL 54 HN VAL 54 -4.881 3.670 9.863 386 HA VAL 54 HA VAL 54 -3.665 2.690 12.150 387 HB VAL 54 HB VAL 54 -2.518 1.083 10.797 388 HG11 VAL 54 HG11 VAL 54 -2.056 3.446 9.006 389 HG12 VAL 54 HG12 VAL 54 -0.893 2.124 9.012 390 HG13 VAL 54 HG13 VAL 54 -2.572 1.816 8.612 391 HG21 VAL 54 HG21 VAL 54 -1.254 2.804 12.485 392 HG22 VAL 54 HG22 VAL 54 -0.487 1.400 11.740 393 HG23 VAL 54 HG23 VAL 54 -0.297 2.997 11.017 394 H CYS 55 HN CYS 55 -4.495 5.071 12.132 395 HA CYS 55 HA CYS 55 -3.921 7.265 12.487 396 HB2 CYS 55 HB2 CYS 55 -1.893 7.465 13.416 397 HB3 CYS 55 HB1 CYS 55 -1.357 5.966 12.682 398 H ARG 56 HN ARG 56 -3.037 5.613 9.670 399 HA ARG 56 HA ARG 56 -3.991 7.620 7.950 400 HB2 ARG 56 HB2 ARG 56 -1.401 8.107 8.803 401 HB3 ARG 56 HB1 ARG 56 -1.164 7.248 7.285 402 HG2 ARG 56 HG2 ARG 56 -1.481 9.270 6.273 403 HG3 ARG 56 HG1 ARG 56 -3.175 9.101 6.670 404 HD2 ARG 56 HD2 ARG 56 -2.799 10.234 8.831 405 HD3 ARG 56 HD1 ARG 56 -1.093 10.403 8.448 406 HE ARG 56 HE ARG 56 -2.679 11.535 6.376 407 HH11 ARG 56 HH11 ARG 56 -1.608 12.025 9.632 408 HH12 ARG 56 HH12 ARG 56 -1.714 13.752 9.551 409 HH21 ARG 56 HH21 ARG 56 -2.835 13.789 6.268 410 HH22 ARG 56 HH22 ARG 56 -2.412 14.751 7.644 411 H ASN 57 HN ASN 57 -4.108 4.791 8.443 412 HA ASN 57 HA ASN 57 -4.161 2.854 7.266 413 HB2 ASN 57 HB2 ASN 57 -5.485 4.028 5.671 414 HB3 ASN 57 HB1 ASN 57 -4.067 4.762 4.950 415 HD21 ASN 57 HD21 ASN 57 -6.008 1.843 5.089 416 HD22 ASN 57 HD22 ASN 57 -5.160 1.005 3.882 417 H THR 58 HN THR 58 -2.893 1.310 6.311 418 HA THR 58 HA THR 58 -0.079 2.029 5.893 419 HB THR 58 HB THR 58 -0.352 -0.788 6.317 420 HG1 THR 58 HG1 THR 58 -1.772 -0.824 7.831 421 HG21 THR 58 HG21 THR 58 1.226 -0.292 8.181 422 HG22 THR 58 HG22 THR 58 1.710 0.411 6.637 423 HG23 THR 58 HG23 THR 58 0.980 1.424 7.882 424 H CYS 59 HN CYS 59 1.084 0.652 4.410 425 HA CYS 59 HA CYS 59 -0.607 -0.140 2.117 426 HB2 CYS 59 HB2 CYS 59 1.018 1.799 1.968 427 HB3 CYS 59 HB1 CYS 59 2.303 0.624 2.141 428 H SER 60 HN SER 60 -0.785 -2.228 1.893 429 HA SER 60 HA SER 60 1.620 -3.893 2.215 430 HB2 SER 60 HB2 SER 60 -1.178 -4.608 3.118 431 HB3 SER 60 HB1 SER 60 0.210 -5.695 3.130 432 HG SER 60 HG SER 60 0.261 -3.176 4.420 433 H CYS 61 HN CYS 61 2.084 -4.466 0.206 434 HA CYS 61 HA CYS 61 -0.115 -5.455 -1.493 435 HB2 CYS 61 HB2 CYS 61 2.449 -4.093 -2.349 436 HB3 CYS 61 HB1 CYS 61 1.299 -4.827 -3.458 437 H ILE 62 HN ILE 62 -0.029 -7.514 -1.891 438 HA ILE 62 HA ILE 62 2.481 -8.979 -2.063 439 HB ILE 62 HB ILE 62 1.406 -10.631 -0.266 440 HG12 ILE 62 HG12 ILE 62 0.500 -9.353 1.617 441 HG13 ILE 62 HG11 ILE 62 0.584 -7.872 0.671 442 HG21 ILE 62 HG21 ILE 62 2.957 -8.203 0.664 443 HG22 ILE 62 HG22 ILE 62 3.010 -9.835 1.320 444 HG23 ILE 62 HG23 ILE 62 3.711 -9.504 -0.261 445 HD11 ILE 62 HD11 ILE 62 -1.675 -9.207 0.795 446 HD12 ILE 62 HD12 ILE 62 -1.155 -8.530 -0.748 447 HD13 ILE 62 HD13 ILE 62 -0.911 -10.240 -0.406 448 H ARG 63 HN ARG 63 2.266 -11.046 -2.925 449 HA ARG 63 HA ARG 63 -0.133 -11.434 -4.481 450 HB2 ARG 63 HB2 ARG 63 1.079 -13.379 -5.423 451 HB3 ARG 63 HB1 ARG 63 2.015 -11.887 -5.517 452 HG2 ARG 63 HG2 ARG 63 3.265 -12.508 -3.510 453 HG3 ARG 63 HG1 ARG 63 2.296 -13.968 -3.332 454 HD2 ARG 63 HD2 ARG 63 3.140 -14.854 -5.424 455 HD3 ARG 63 HD1 ARG 63 3.991 -13.348 -5.761 456 HE ARG 63 HE ARG 63 4.908 -14.271 -3.292 457 HH11 ARG 63 HH11 ARG 63 4.846 -15.244 -6.613 458 HH12 ARG 63 HH12 ARG 63 6.330 -16.132 -6.525 459 HH21 ARG 63 HH21 ARG 63 6.853 -15.440 -3.167 460 HH22 ARG 63 HH22 ARG 63 7.466 -16.243 -4.575 461 H LEU 64 HN LEU 64 1.064 -12.478 -1.501 462 HA LEU 64 HA LEU 64 -1.257 -14.236 -1.116 463 HB2 LEU 64 HB2 LEU 64 1.595 -15.093 -0.631 464 HB3 LEU 64 HB1 LEU 64 0.198 -15.923 0.057 465 HG LEU 64 HG LEU 64 0.574 -15.463 -2.916 466 HD11 LEU 64 HD11 LEU 64 1.062 -17.998 -1.341 467 HD12 LEU 64 HD12 LEU 64 1.313 -17.756 -3.071 468 HD13 LEU 64 HD13 LEU 64 2.342 -16.923 -1.906 469 HD21 LEU 64 HD21 LEU 64 -1.523 -16.703 -1.213 470 HD22 LEU 64 HD22 LEU 64 -1.654 -15.975 -2.811 471 HD23 LEU 64 HD23 LEU 64 -1.055 -17.622 -2.640 472 H SER 65 HN SER 65 0.543 -14.973 1.357 473 HA SER 65 HA SER 65 0.425 -14.397 3.583 474 HB2 SER 65 HB2 SER 65 1.045 -11.697 2.370 475 HB3 SER 65 HB1 SER 65 1.203 -12.100 4.078 476 HG SER 65 HG SER 65 3.104 -12.326 2.534 477 H ARG 66 HN ARG 66 -2.033 -14.790 2.793 478 HA ARG 66 HA ARG 66 -3.892 -12.760 2.665 479 HB2 ARG 66 HB2 ARG 66 -5.519 -14.343 3.549 480 HB3 ARG 66 HB1 ARG 66 -4.414 -15.183 2.460 481 HG2 ARG 66 HG2 ARG 66 -3.062 -15.876 4.456 482 HG3 ARG 66 HG1 ARG 66 -4.300 -15.167 5.490 483 HD2 ARG 66 HD2 ARG 66 -5.989 -16.670 4.519 484 HD3 ARG 66 HD1 ARG 66 -4.764 -17.374 3.467 485 HE ARG 66 HE ARG 66 -3.910 -18.545 5.306 486 HH11 ARG 66 HH11 ARG 66 -6.270 -16.193 6.244 487 HH12 ARG 66 HH12 ARG 66 -6.408 -16.776 7.868 488 HH21 ARG 66 HH21 ARG 66 -4.082 -19.311 7.439 489 HH22 ARG 66 HH22 ARG 66 -5.169 -18.541 8.545 490 H SER 67 HN SER 67 -1.895 -13.619 5.321 491 HA SER 67 HA SER 67 -3.320 -11.655 7.013 492 HB2 SER 67 HB2 SER 67 -2.753 -13.017 8.983 493 HB3 SER 67 HB1 SER 67 -3.776 -13.912 7.862 494 HG SER 67 HG SER 67 -1.019 -14.164 8.386 495 H THR 68 HN THR 68 -2.034 -9.943 7.097 496 HA THR 68 HA THR 68 0.726 -10.312 7.991 497 HB THR 68 HB THR 68 1.080 -10.250 5.634 498 HG1 THR 68 HG1 THR 68 1.555 -7.909 7.073 499 HG21 THR 68 HG21 THR 68 -0.509 -9.373 4.310 500 HG22 THR 68 HG22 THR 68 -1.262 -8.567 5.686 501 HG23 THR 68 HG23 THR 68 0.033 -7.767 4.796 502 H TYR 69 HN TYR 69 0.489 -9.267 9.862 503 HA TYR 69 HA TYR 69 0.048 -6.390 9.762 504 HB2 TYR 69 HB2 TYR 69 -2.211 -7.102 10.138 505 HB3 TYR 69 HB1 TYR 69 -1.703 -8.239 11.386 506 HD1 TYR 69 HD1 TYR 69 -1.382 -4.581 10.561 507 HD2 TYR 69 HD2 TYR 69 -1.886 -7.563 13.614 508 HE1 TYR 69 HE1 TYR 69 -1.608 -2.799 12.265 509 HE2 TYR 69 HE2 TYR 69 -2.104 -5.778 15.318 510 HH TYR 69 HH TYR 69 -1.466 -3.431 15.613 511 H ALA 70 HN ALA 70 1.309 -5.331 11.167 512 HA ALA 70 HA ALA 70 3.312 -6.698 12.617 513 HB1 ALA 70 HB1 ALA 70 3.691 -4.389 13.649 514 HB2 ALA 70 HB2 ALA 70 3.819 -4.496 11.893 515 HB3 ALA 70 HB3 ALA 70 2.361 -3.836 12.631 516 H SER 71 HN SER 71 3.539 -7.164 14.774 517 HA SER 71 HA SER 71 1.766 -6.243 16.803 518 HB2 SER 71 HB2 SER 71 0.153 -7.724 15.777 519 HB3 SER 71 HB1 SER 71 1.323 -9.039 15.737 520 HG SER 71 HG SER 71 -0.058 -9.230 17.530 Start of MODEL 7 1 H LEU 1 HN LEU 1 -5.046 6.366 -0.950 2 HA LEU 1 HA LEU 1 -7.573 7.302 -0.305 3 HB2 LEU 1 HB2 LEU 1 -6.021 9.344 -1.549 4 HB3 LEU 1 HB1 LEU 1 -7.273 8.844 -2.686 5 HG LEU 1 HG LEU 1 -8.970 9.100 -0.874 6 HD11 LEU 1 HD11 LEU 1 -8.306 9.308 1.266 7 HD12 LEU 1 HD12 LEU 1 -6.625 9.234 0.739 8 HD13 LEU 1 HD13 LEU 1 -7.442 10.793 0.867 9 HD21 LEU 1 HD21 LEU 1 -7.242 11.405 -1.752 10 HD22 LEU 1 HD22 LEU 1 -8.868 10.976 -2.284 11 HD23 LEU 1 HD23 LEU 1 -8.621 11.687 -0.689 12 H ARG 2 HN ARG 2 -9.094 6.243 -1.478 13 HA ARG 2 HA ARG 2 -9.955 4.691 -2.931 14 HB2 ARG 2 HB2 ARG 2 -8.051 6.054 -4.849 15 HB3 ARG 2 HB1 ARG 2 -9.385 4.994 -5.309 16 HG2 ARG 2 HG2 ARG 2 -11.009 6.518 -4.366 17 HG3 ARG 2 HG1 ARG 2 -9.733 7.521 -3.675 18 HD2 ARG 2 HD2 ARG 2 -10.135 7.032 -6.638 19 HD3 ARG 2 HD1 ARG 2 -10.651 8.480 -5.779 20 HE ARG 2 HE ARG 2 -7.936 8.159 -5.239 21 HH11 ARG 2 HH11 ARG 2 -10.028 8.642 -7.952 22 HH12 ARG 2 HH12 ARG 2 -8.847 9.500 -8.886 23 HH21 ARG 2 HH21 ARG 2 -6.378 9.271 -6.460 24 HH22 ARG 2 HH22 ARG 2 -6.780 9.855 -8.041 25 H VAL 3 HN VAL 3 -7.978 3.692 -1.284 26 HA VAL 3 HA VAL 3 -5.929 2.313 -2.675 27 HB VAL 3 HB VAL 3 -7.149 2.062 0.068 28 HG11 VAL 3 HG11 VAL 3 -5.192 0.332 0.330 29 HG12 VAL 3 HG12 VAL 3 -6.729 -0.211 -0.329 30 HG13 VAL 3 HG13 VAL 3 -5.377 0.130 -1.403 31 HG21 VAL 3 HG21 VAL 3 -5.089 2.910 0.807 32 HG22 VAL 3 HG22 VAL 3 -4.240 2.394 -0.648 33 HG23 VAL 3 HG23 VAL 3 -5.330 3.783 -0.701 34 H ARG 4 HN ARG 4 -6.113 0.661 -3.971 35 HA ARG 4 HA ARG 4 -8.366 -1.231 -3.697 36 HB2 ARG 4 HB2 ARG 4 -7.098 -0.134 -6.212 37 HB3 ARG 4 HB1 ARG 4 -8.180 -1.525 -6.193 38 HG2 ARG 4 HG2 ARG 4 -9.945 -0.137 -5.165 39 HG3 ARG 4 HG1 ARG 4 -8.863 1.256 -5.199 40 HD2 ARG 4 HD2 ARG 4 -8.729 1.101 -7.655 41 HD3 ARG 4 HD1 ARG 4 -9.796 -0.301 -7.629 42 HE ARG 4 HE ARG 4 -11.070 1.840 -6.299 43 HH11 ARG 4 HH11 ARG 4 -10.005 0.848 -9.440 44 HH12 ARG 4 HH12 ARG 4 -11.227 1.737 -10.286 45 HH21 ARG 4 HH21 ARG 4 -12.674 3.006 -7.402 46 HH22 ARG 4 HH22 ARG 4 -12.739 2.959 -9.132 47 H ARG 5 HN ARG 5 -7.574 -3.099 -5.543 48 HA ARG 5 HA ARG 5 -4.850 -3.889 -4.873 49 HB2 ARG 5 HB2 ARG 5 -5.742 -6.169 -4.315 50 HB3 ARG 5 HB1 ARG 5 -6.105 -4.929 -3.122 51 HG2 ARG 5 HG2 ARG 5 -8.334 -4.627 -4.068 52 HG3 ARG 5 HG1 ARG 5 -7.981 -5.811 -5.326 53 HD2 ARG 5 HD2 ARG 5 -9.270 -6.867 -3.526 54 HD3 ARG 5 HD1 ARG 5 -7.646 -7.545 -3.586 55 HE ARG 5 HE ARG 5 -7.769 -5.346 -1.768 56 HH11 ARG 5 HH11 ARG 5 -8.636 -8.669 -2.202 57 HH12 ARG 5 HH12 ARG 5 -8.589 -9.044 -0.512 58 HH21 ARG 5 HH21 ARG 5 -7.696 -5.835 0.449 59 HH22 ARG 5 HH22 ARG 5 -8.057 -7.441 0.988 60 H THR 6 HN THR 6 -4.087 -5.640 -6.188 61 HA THR 6 HA THR 6 -3.989 -7.023 -8.046 62 HB THR 6 HB THR 6 -6.449 -5.985 -9.306 63 HG1 THR 6 HG1 THR 6 -7.194 -6.055 -7.287 64 HG21 THR 6 HG21 THR 6 -6.777 -8.353 -9.771 65 HG22 THR 6 HG22 THR 6 -5.131 -7.883 -10.193 66 HG23 THR 6 HG23 THR 6 -5.441 -8.766 -8.698 67 H LEU 7 HN LEU 7 -3.271 -4.153 -7.683 68 HA LEU 7 HA LEU 7 -2.793 -3.639 -10.516 69 HB2 LEU 7 HB2 LEU 7 -3.141 -1.136 -9.893 70 HB3 LEU 7 HB1 LEU 7 -4.523 -2.153 -10.288 71 HG LEU 7 HG LEU 7 -3.763 -2.263 -7.437 72 HD11 LEU 7 HD11 LEU 7 -4.490 0.309 -8.787 73 HD12 LEU 7 HD12 LEU 7 -4.952 0.017 -7.120 74 HD13 LEU 7 HD13 LEU 7 -3.254 -0.006 -7.565 75 HD21 LEU 7 HD21 LEU 7 -6.394 -1.403 -8.651 76 HD22 LEU 7 HD22 LEU 7 -5.894 -3.092 -8.710 77 HD23 LEU 7 HD23 LEU 7 -6.110 -2.288 -7.159 78 H GLN 8 HN GLN 8 -2.087 -1.117 -8.276 79 HA GLN 8 HA GLN 8 0.731 -1.924 -8.140 80 HB2 GLN 8 HB2 GLN 8 -0.227 0.191 -9.679 81 HB3 GLN 8 HB1 GLN 8 0.428 0.937 -8.218 82 HG2 GLN 8 HG2 GLN 8 2.507 -0.429 -8.551 83 HG3 GLN 8 HG1 GLN 8 1.855 -0.935 -10.111 84 HE21 GLN 8 HE21 GLN 8 4.253 0.856 -9.470 85 HE22 GLN 8 HE22 GLN 8 3.951 2.284 -10.337 86 H CYS 9 HN CYS 9 1.719 -1.549 -6.255 87 HA CYS 9 HA CYS 9 0.026 -0.462 -4.084 88 HB2 CYS 9 HB2 CYS 9 0.369 -2.819 -3.947 89 HB3 CYS 9 HB1 CYS 9 2.114 -2.630 -4.129 90 H SER 10 HN SER 10 0.665 1.399 -3.312 91 HA SER 10 HA SER 10 3.537 1.906 -2.945 92 HB2 SER 10 HB2 SER 10 1.562 3.832 -4.182 93 HB3 SER 10 HB1 SER 10 3.212 4.233 -3.720 94 HG SER 10 HG SER 10 3.953 2.723 -5.210 95 H CYS 11 HN CYS 11 4.065 3.282 -1.244 96 HA CYS 11 HA CYS 11 1.870 4.035 0.589 97 HB2 CYS 11 HB2 CYS 11 4.535 2.805 1.363 98 HB3 CYS 11 HB1 CYS 11 3.281 3.333 2.484 99 H ARG 12 HN ARG 12 2.330 5.820 2.013 100 HA ARG 12 HA ARG 12 4.684 7.422 1.178 101 HB2 ARG 12 HB2 ARG 12 3.214 8.725 0.076 102 HB3 ARG 12 HB1 ARG 12 1.824 8.158 1.001 103 HG2 ARG 12 HG2 ARG 12 2.389 9.595 2.847 104 HG3 ARG 12 HG1 ARG 12 3.941 10.006 2.123 105 HD2 ARG 12 HD2 ARG 12 2.735 11.075 0.235 106 HD3 ARG 12 HD1 ARG 12 1.205 10.698 1.024 107 HE ARG 12 HE ARG 12 3.085 12.774 1.792 108 HH11 ARG 12 HH11 ARG 12 0.449 10.727 2.708 109 HH12 ARG 12 HH12 ARG 12 -0.099 11.768 3.979 110 HH21 ARG 12 HH21 ARG 12 2.369 14.147 3.458 111 HH22 ARG 12 HH22 ARG 12 0.987 13.703 4.404 112 H ARG 13 HN ARG 13 5.678 8.583 2.751 113 HA ARG 13 HA ARG 13 5.459 7.732 5.414 114 HB2 ARG 13 HB2 ARG 13 7.457 8.811 4.548 115 HB3 ARG 13 HB1 ARG 13 6.571 10.325 4.458 116 HG2 ARG 13 HG2 ARG 13 6.281 10.419 6.832 117 HG3 ARG 13 HG1 ARG 13 6.842 8.755 7.019 118 HD2 ARG 13 HD2 ARG 13 9.060 9.339 6.371 119 HD3 ARG 13 HD1 ARG 13 8.570 10.955 5.873 120 HE ARG 13 HE ARG 13 7.925 10.722 8.573 121 HH11 ARG 13 HH11 ARG 13 10.718 10.527 6.540 122 HH12 ARG 13 HH12 ARG 13 11.812 11.115 7.747 123 HH21 ARG 13 HH21 ARG 13 9.356 11.513 10.161 124 HH22 ARG 13 HH22 ARG 13 11.041 11.673 9.795 125 H VAL 14 HN VAL 14 4.580 8.516 7.172 126 HA VAL 14 HA VAL 14 3.290 10.914 7.690 127 HB VAL 14 HB VAL 14 1.725 10.364 5.944 128 HG11 VAL 14 HG11 VAL 14 1.382 7.731 7.416 129 HG12 VAL 14 HG12 VAL 14 0.334 8.294 6.111 130 HG13 VAL 14 HG13 VAL 14 2.034 7.989 5.809 131 HG21 VAL 14 HG21 VAL 14 1.048 11.042 8.496 132 HG22 VAL 14 HG22 VAL 14 -0.083 11.017 7.145 133 HG23 VAL 14 HG23 VAL 14 0.032 9.632 8.231 134 H CYS 15 HN CYS 15 4.721 9.775 9.472 135 HA CYS 15 HA CYS 15 4.669 9.103 11.675 136 HB2 CYS 15 HB2 CYS 15 2.752 9.386 12.826 137 HB3 CYS 15 HB1 CYS 15 1.959 9.742 11.300 138 H ARG 16 HN ARG 16 3.683 7.293 9.063 139 HA ARG 16 HA ARG 16 5.029 4.956 9.651 140 HB2 ARG 16 HB2 ARG 16 2.485 5.163 11.077 141 HB3 ARG 16 HB1 ARG 16 2.544 3.763 10.017 142 HG2 ARG 16 HG2 ARG 16 4.284 2.765 11.206 143 HG3 ARG 16 HG1 ARG 16 4.943 4.301 11.756 144 HD2 ARG 16 HD2 ARG 16 2.985 4.566 13.277 145 HD3 ARG 16 HD1 ARG 16 2.429 2.968 12.785 146 HE ARG 16 HE ARG 16 5.095 2.747 13.658 147 HH11 ARG 16 HH11 ARG 16 1.924 3.459 14.869 148 HH12 ARG 16 HH12 ARG 16 2.247 2.840 16.453 149 HH21 ARG 16 HH21 ARG 16 5.507 1.921 15.726 150 HH22 ARG 16 HH22 ARG 16 4.271 1.971 16.938 151 H ASN 17 HN ASN 17 4.828 6.154 7.342 152 HA ASN 17 HA ASN 17 4.203 5.924 5.177 153 HB2 ASN 17 HB2 ASN 17 4.233 3.230 6.327 154 HB3 ASN 17 HB1 ASN 17 3.362 3.412 4.816 155 HD21 ASN 17 HD21 ASN 17 6.226 2.325 5.657 156 HD22 ASN 17 HD22 ASN 17 7.226 3.014 4.471 157 H THR 18 HN THR 18 2.404 5.527 3.747 158 HA THR 18 HA THR 18 -0.249 5.769 4.997 159 HB THR 18 HB THR 18 0.206 6.834 2.245 160 HG1 THR 18 HG1 THR 18 1.740 7.983 3.282 161 HG21 THR 18 HG21 THR 18 -1.639 7.547 4.544 162 HG22 THR 18 HG22 THR 18 -1.563 8.433 3.026 163 HG23 THR 18 HG23 THR 18 -2.076 6.748 3.032 164 H CYS 19 HN CYS 19 -2.034 5.076 3.511 165 HA CYS 19 HA CYS 19 -1.259 2.642 2.089 166 HB2 CYS 19 HB2 CYS 19 -2.834 2.581 4.032 167 HB3 CYS 19 HB1 CYS 19 -3.973 3.454 3.040 168 H SER 20 HN SER 20 -0.979 3.054 -0.052 169 HA SER 20 HA SER 20 -3.238 4.274 -1.472 170 HB2 SER 20 HB2 SER 20 -0.370 5.151 -1.816 171 HB3 SER 20 HB1 SER 20 -1.726 5.658 -2.822 172 HG SER 20 HG SER 20 -0.925 6.783 -0.629 173 H CYS 21 HN CYS 21 -3.845 2.631 -2.760 174 HA CYS 21 HA CYS 21 -1.750 1.262 -4.355 175 HB2 CYS 21 HB2 CYS 21 -4.477 0.122 -3.752 176 HB3 CYS 21 HB1 CYS 21 -3.095 -0.721 -4.434 177 H ILE 22 HN ILE 22 -1.865 1.786 -6.436 178 HA ILE 22 HA ILE 22 -4.442 2.310 -7.697 179 HB ILE 22 HB ILE 22 -3.277 4.524 -8.631 180 HG12 ILE 22 HG12 ILE 22 -2.187 5.725 -6.799 181 HG13 ILE 22 HG11 ILE 22 -2.302 4.298 -5.777 182 HG21 ILE 22 HG21 ILE 22 -4.702 4.495 -5.957 183 HG22 ILE 22 HG22 ILE 22 -4.687 5.793 -7.146 184 HG23 ILE 22 HG23 ILE 22 -5.531 4.292 -7.503 185 HD11 ILE 22 HD11 ILE 22 -0.079 4.774 -7.085 186 HD12 ILE 22 HD12 ILE 22 -0.702 3.127 -7.010 187 HD13 ILE 22 HD13 ILE 22 -0.961 4.104 -8.456 188 H ARG 23 HN ARG 23 -4.338 2.250 -9.982 189 HA ARG 23 HA ARG 23 -2.128 0.738 -10.983 190 HB2 ARG 23 HB2 ARG 23 -4.438 0.299 -11.709 191 HB3 ARG 23 HB1 ARG 23 -4.496 1.901 -12.448 192 HG2 ARG 23 HG2 ARG 23 -2.746 1.331 -13.997 193 HG3 ARG 23 HG1 ARG 23 -2.434 -0.193 -13.164 194 HD2 ARG 23 HD2 ARG 23 -5.087 0.501 -14.437 195 HD3 ARG 23 HD1 ARG 23 -3.820 -0.398 -15.248 196 HE ARG 23 HE ARG 23 -4.321 -1.661 -12.797 197 HH11 ARG 23 HH11 ARG 23 -5.858 -0.975 -15.820 198 HH12 ARG 23 HH12 ARG 23 -6.869 -2.381 -15.783 199 HH21 ARG 23 HH21 ARG 23 -5.648 -3.506 -12.740 200 HH22 ARG 23 HH22 ARG 23 -6.750 -3.813 -14.041 201 H LEU 24 HN LEU 24 -2.909 4.016 -10.768 202 HA LEU 24 HA LEU 24 -0.949 4.722 -12.872 203 HB2 LEU 24 HB2 LEU 24 -2.998 6.491 -11.521 204 HB3 LEU 24 HB1 LEU 24 -1.950 6.940 -12.866 205 HG LEU 24 HG LEU 24 -4.028 4.730 -12.930 206 HD11 LEU 24 HD11 LEU 24 -4.035 7.400 -14.359 207 HD12 LEU 24 HD12 LEU 24 -5.334 6.207 -14.314 208 HD13 LEU 24 HD13 LEU 24 -4.905 7.100 -12.855 209 HD21 LEU 24 HD21 LEU 24 -2.500 4.049 -14.537 210 HD22 LEU 24 HD22 LEU 24 -3.472 5.162 -15.500 211 HD23 LEU 24 HD23 LEU 24 -1.925 5.688 -14.837 212 H SER 25 HN SER 25 0.998 5.352 -12.273 213 HA SER 25 HA SER 25 1.794 5.638 -9.571 214 HB2 SER 25 HB2 SER 25 3.171 6.448 -12.137 215 HB3 SER 25 HB1 SER 25 3.932 6.489 -10.549 216 HG SER 25 HG SER 25 4.180 4.410 -10.665 217 H ARG 26 HN ARG 26 1.009 7.985 -12.096 218 HA ARG 26 HA ARG 26 1.802 10.305 -10.692 219 HB2 ARG 26 HB2 ARG 26 -0.252 9.877 -12.869 220 HB3 ARG 26 HB1 ARG 26 0.206 11.468 -12.262 221 HG2 ARG 26 HG2 ARG 26 2.589 10.943 -12.829 222 HG3 ARG 26 HG1 ARG 26 2.041 9.436 -13.563 223 HD2 ARG 26 HD2 ARG 26 1.065 12.184 -14.379 224 HD3 ARG 26 HD1 ARG 26 2.323 11.289 -15.218 225 HE ARG 26 HE ARG 26 0.690 9.689 -15.908 226 HH11 ARG 26 HH11 ARG 26 -0.630 12.346 -14.084 227 HH12 ARG 26 HH12 ARG 26 -2.249 12.075 -14.627 228 HH21 ARG 26 HH21 ARG 26 -1.427 9.362 -16.615 229 HH22 ARG 26 HH22 ARG 26 -2.701 10.393 -16.053 230 H SER 27 HN SER 27 0.695 11.697 -9.360 231 HA SER 27 HA SER 27 -0.784 12.304 -7.713 232 HB2 SER 27 HB2 SER 27 -2.235 12.411 -9.854 233 HB3 SER 27 HB1 SER 27 -2.937 10.901 -9.281 234 HG SER 27 HG SER 27 -3.370 13.429 -8.443 235 H THR 28 HN THR 28 -0.171 11.171 -5.975 236 HA THR 28 HA THR 28 -1.349 8.490 -5.596 237 HB THR 28 HB THR 28 0.449 8.132 -3.973 238 HG1 THR 28 HG1 THR 28 2.102 10.055 -4.484 239 HG21 THR 28 HG21 THR 28 2.220 7.882 -5.554 240 HG22 THR 28 HG22 THR 28 0.724 7.718 -6.474 241 HG23 THR 28 HG23 THR 28 1.628 9.231 -6.524 242 H TYR 29 HN TYR 29 -1.152 11.739 -4.384 243 HA TYR 29 HA TYR 29 -3.378 11.264 -2.648 244 HB2 TYR 29 HB2 TYR 29 -1.477 10.581 -1.207 245 HB3 TYR 29 HB1 TYR 29 -0.786 12.183 -1.397 246 HD1 TYR 29 HD1 TYR 29 -0.949 11.817 1.190 247 HD2 TYR 29 HD2 TYR 29 -4.405 12.554 -1.277 248 HE1 TYR 29 HE1 TYR 29 -2.225 12.584 3.169 249 HE2 TYR 29 HE2 TYR 29 -5.648 13.314 0.692 250 HH TYR 29 HH TYR 29 -5.638 13.552 2.895 251 H ALA 30 HN ALA 30 -0.837 13.687 -2.262 252 HA ALA 30 HA ALA 30 -2.595 15.868 -2.256 253 HB1 ALA 30 HB1 ALA 30 -0.048 16.780 -3.102 254 HB2 ALA 30 HB2 ALA 30 -0.732 16.825 -1.477 255 HB3 ALA 30 HB3 ALA 30 0.225 15.437 -1.992 256 H SER 31 HN SER 31 -3.172 17.361 -3.780 257 HA SER 31 HA SER 31 -2.354 16.847 -6.567 258 HB2 SER 31 HB2 SER 31 -4.993 17.701 -6.732 259 HB3 SER 31 HB1 SER 31 -4.413 16.057 -6.988 260 HG SER 31 HG SER 31 -4.523 16.161 -4.470 261 H LEU 41 HN LEU 41 8.775 6.226 -2.559 262 HA LEU 41 HA LEU 41 6.478 6.811 -2.674 263 HB2 LEU 41 HB2 LEU 41 6.962 7.174 -5.642 264 HB3 LEU 41 HB1 LEU 41 5.487 7.576 -4.763 265 HG LEU 41 HG LEU 41 8.213 8.817 -4.278 266 HD11 LEU 41 HD11 LEU 41 6.075 9.412 -6.149 267 HD12 LEU 41 HD12 LEU 41 6.332 10.758 -5.038 268 HD13 LEU 41 HD13 LEU 41 7.672 10.149 -6.011 269 HD21 LEU 41 HD21 LEU 41 6.492 10.463 -3.049 270 HD22 LEU 41 HD22 LEU 41 5.568 8.969 -2.892 271 HD23 LEU 41 HD23 LEU 41 7.195 9.073 -2.220 272 H ARG 42 HN ARG 42 8.172 4.301 -3.392 273 HA ARG 42 HA ARG 42 5.852 2.691 -4.260 274 HB2 ARG 42 HB2 ARG 42 7.397 2.966 -6.170 275 HB3 ARG 42 HB1 ARG 42 8.710 2.317 -5.190 276 HG2 ARG 42 HG2 ARG 42 7.562 0.190 -4.962 277 HG3 ARG 42 HG1 ARG 42 6.142 0.827 -5.796 278 HD2 ARG 42 HD2 ARG 42 7.471 -0.482 -7.367 279 HD3 ARG 42 HD1 ARG 42 7.547 1.220 -7.816 280 HE ARG 42 HE ARG 42 9.711 0.505 -6.087 281 HH11 ARG 42 HH11 ARG 42 8.505 0.307 -9.324 282 HH12 ARG 42 HH12 ARG 42 10.073 0.186 -10.049 283 HH21 ARG 42 HH21 ARG 42 11.770 0.330 -7.028 284 HH22 ARG 42 HH22 ARG 42 11.922 0.197 -8.749 285 H VAL 43 HN VAL 43 5.359 1.316 -2.669 286 HA VAL 43 HA VAL 43 7.364 0.610 -0.683 287 HB VAL 43 HB VAL 43 4.788 1.199 -0.333 288 HG11 VAL 43 HG11 VAL 43 3.351 -0.674 -0.292 289 HG12 VAL 43 HG12 VAL 43 4.238 -0.868 -1.801 290 HG13 VAL 43 HG13 VAL 43 4.695 -1.808 -0.379 291 HG21 VAL 43 HG21 VAL 43 4.893 -0.084 1.796 292 HG22 VAL 43 HG22 VAL 43 6.295 -0.958 1.178 293 HG23 VAL 43 HG23 VAL 43 6.398 0.778 1.471 294 H ARG 44 HN ARG 44 5.831 -0.750 -3.437 295 HA ARG 44 HA ARG 44 7.542 -3.054 -3.425 296 HB2 ARG 44 HB2 ARG 44 5.394 -3.456 -1.876 297 HB3 ARG 44 HB1 ARG 44 4.681 -3.849 -3.439 298 HG2 ARG 44 HG2 ARG 44 5.529 -5.921 -2.809 299 HG3 ARG 44 HG1 ARG 44 6.888 -5.280 -3.730 300 HD2 ARG 44 HD2 ARG 44 7.693 -6.196 -1.614 301 HD3 ARG 44 HD1 ARG 44 7.902 -4.449 -1.616 302 HE ARG 44 HE ARG 44 6.263 -4.285 0.047 303 HH11 ARG 44 HH11 ARG 44 6.469 -7.481 -1.273 304 HH12 ARG 44 HH12 ARG 44 5.471 -8.196 -0.051 305 HH21 ARG 44 HH21 ARG 44 4.947 -5.218 1.643 306 HH22 ARG 44 HH22 ARG 44 4.609 -6.915 1.597 307 H ARG 45 HN ARG 45 5.891 -4.665 -5.063 308 HA ARG 45 HA ARG 45 6.131 -3.174 -7.550 309 HB2 ARG 45 HB2 ARG 45 5.793 -6.094 -6.954 310 HB3 ARG 45 HB1 ARG 45 5.757 -5.441 -8.588 311 HG2 ARG 45 HG2 ARG 45 7.999 -4.585 -8.360 312 HG3 ARG 45 HG1 ARG 45 8.030 -4.987 -6.641 313 HD2 ARG 45 HD2 ARG 45 9.247 -6.692 -7.921 314 HD3 ARG 45 HD1 ARG 45 7.793 -7.387 -7.210 315 HE ARG 45 HE ARG 45 7.280 -6.435 -9.853 316 HH11 ARG 45 HH11 ARG 45 8.773 -8.967 -8.026 317 HH12 ARG 45 HH12 ARG 45 8.584 -10.161 -9.267 318 HH21 ARG 45 HH21 ARG 45 7.033 -7.996 -11.487 319 HH22 ARG 45 HH22 ARG 45 7.601 -9.612 -11.225 320 H THR 46 HN THR 46 4.058 -5.670 -8.030 321 HA THR 46 HA THR 46 1.698 -3.906 -7.936 322 HB THR 46 HB THR 46 0.975 -5.281 -9.993 323 HG1 THR 46 HG1 THR 46 3.252 -6.424 -9.428 324 HG21 THR 46 HG21 THR 46 2.906 -3.843 -11.311 325 HG22 THR 46 HG22 THR 46 1.396 -3.160 -10.717 326 HG23 THR 46 HG23 THR 46 2.864 -3.026 -9.750 327 H LEU 47 HN LEU 47 2.408 -7.308 -8.506 328 HA LEU 47 HA LEU 47 0.896 -9.099 -8.124 329 HB2 LEU 47 HB2 LEU 47 1.355 -9.697 -5.663 330 HB3 LEU 47 HB1 LEU 47 2.724 -9.549 -6.763 331 HG LEU 47 HG LEU 47 1.924 -7.040 -5.427 332 HD11 LEU 47 HD11 LEU 47 2.894 -9.439 -3.925 333 HD12 LEU 47 HD12 LEU 47 3.247 -7.806 -3.366 334 HD13 LEU 47 HD13 LEU 47 1.581 -8.327 -3.541 335 HD21 LEU 47 HD21 LEU 47 4.289 -6.709 -5.341 336 HD22 LEU 47 HD22 LEU 47 4.603 -8.425 -5.608 337 HD23 LEU 47 HD23 LEU 47 3.941 -7.438 -6.913 338 H GLN 48 HN GLN 48 0.436 -7.919 -4.891 339 HA GLN 48 HA GLN 48 -2.350 -7.194 -5.424 340 HB2 GLN 48 HB2 GLN 48 -2.249 -9.658 -4.791 341 HB3 GLN 48 HB1 GLN 48 -1.634 -9.131 -3.227 342 HG2 GLN 48 HG2 GLN 48 -3.633 -7.751 -2.877 343 HG3 GLN 48 HG1 GLN 48 -4.258 -8.252 -4.447 344 HE21 GLN 48 HE21 GLN 48 -6.028 -8.940 -2.634 345 HE22 GLN 48 HE22 GLN 48 -5.900 -10.557 -2.130 346 H CYS 49 HN CYS 49 -3.145 -5.726 -3.965 347 HA CYS 49 HA CYS 49 -1.185 -4.654 -2.025 348 HB2 CYS 49 HB2 CYS 49 -1.886 -3.387 -4.164 349 HB3 CYS 49 HB1 CYS 49 -3.390 -3.080 -3.282 350 H SER 50 HN SER 50 -1.844 -4.338 0.022 351 HA SER 50 HA SER 50 -4.701 -4.713 0.637 352 HB2 SER 50 HB2 SER 50 -2.340 -5.801 2.187 353 HB3 SER 50 HB1 SER 50 -4.016 -5.869 2.726 354 HG SER 50 HG SER 50 -3.502 -6.784 0.162 355 H CYS 51 HN CYS 51 -5.415 -3.643 2.596 356 HA CYS 51 HA CYS 51 -3.688 -1.344 3.317 357 HB2 CYS 51 HB2 CYS 51 -5.985 -1.058 2.002 358 HB3 CYS 51 HB1 CYS 51 -6.628 -1.208 3.632 359 H ARG 52 HN ARG 52 -3.882 -0.551 5.452 360 HA ARG 52 HA ARG 52 -5.396 -2.008 7.451 361 HB2 ARG 52 HB2 ARG 52 -3.521 -2.845 8.715 362 HB3 ARG 52 HB1 ARG 52 -3.360 -3.441 7.063 363 HG2 ARG 52 HG2 ARG 52 -1.871 -1.431 6.604 364 HG3 ARG 52 HG1 ARG 52 -1.872 -1.136 8.342 365 HD2 ARG 52 HD2 ARG 52 -0.978 -3.399 8.729 366 HD3 ARG 52 HD1 ARG 52 -0.968 -3.692 6.994 367 HE ARG 52 HE ARG 52 0.912 -2.306 6.809 368 HH11 ARG 52 HH11 ARG 52 -0.504 -2.170 9.965 369 HH12 ARG 52 HH12 ARG 52 0.835 -1.335 10.681 370 HH21 ARG 52 HH21 ARG 52 2.677 -1.219 7.745 371 HH22 ARG 52 HH22 ARG 52 2.633 -0.797 9.425 372 H ARG 53 HN ARG 53 -5.806 -0.718 9.200 373 HA ARG 53 HA ARG 53 -5.208 2.013 9.115 374 HB2 ARG 53 HB2 ARG 53 -7.141 1.038 10.285 375 HB3 ARG 53 HB1 ARG 53 -6.039 0.425 11.503 376 HG2 ARG 53 HG2 ARG 53 -5.483 3.195 11.089 377 HG3 ARG 53 HG1 ARG 53 -7.202 3.011 11.367 378 HD2 ARG 53 HD2 ARG 53 -5.833 3.304 13.438 379 HD3 ARG 53 HD1 ARG 53 -6.834 1.861 13.433 380 HE ARG 53 HE ARG 53 -4.107 1.490 12.492 381 HH11 ARG 53 HH11 ARG 53 -6.304 1.471 15.166 382 HH12 ARG 53 HH12 ARG 53 -5.334 0.406 16.127 383 HH21 ARG 53 HH21 ARG 53 -2.846 0.081 13.734 384 HH22 ARG 53 HH22 ARG 53 -3.377 -0.380 15.316 385 H VAL 54 HN VAL 54 -3.870 3.257 10.247 386 HA VAL 54 HA VAL 54 -2.087 2.450 12.284 387 HB VAL 54 HB VAL 54 -1.141 1.201 10.342 388 HG11 VAL 54 HG11 VAL 54 -1.564 3.656 9.016 389 HG12 VAL 54 HG12 VAL 54 0.177 3.421 9.089 390 HG13 VAL 54 HG13 VAL 54 -0.862 2.192 8.372 391 HG21 VAL 54 HG21 VAL 54 1.177 1.888 10.752 392 HG22 VAL 54 HG22 VAL 54 0.612 3.404 11.448 393 HG23 VAL 54 HG23 VAL 54 0.259 1.880 12.257 394 H CYS 55 HN CYS 55 -3.491 4.561 12.570 395 HA CYS 55 HA CYS 55 -3.461 6.810 12.968 396 HB2 CYS 55 HB2 CYS 55 -1.481 7.515 13.751 397 HB3 CYS 55 HB1 CYS 55 -0.746 6.054 13.107 398 H ARG 56 HN ARG 56 -3.008 5.464 10.024 399 HA ARG 56 HA ARG 56 -4.137 7.616 8.616 400 HB2 ARG 56 HB2 ARG 56 -1.486 8.101 9.055 401 HB3 ARG 56 HB1 ARG 56 -1.452 7.246 7.502 402 HG2 ARG 56 HG2 ARG 56 -1.759 9.460 6.806 403 HG3 ARG 56 HG1 ARG 56 -3.417 8.886 6.881 404 HD2 ARG 56 HD2 ARG 56 -3.660 9.827 9.146 405 HD3 ARG 56 HD1 ARG 56 -1.992 10.383 9.105 406 HE ARG 56 HE ARG 56 -2.640 12.110 7.656 407 HH11 ARG 56 HH11 ARG 56 -5.169 9.800 8.163 408 HH12 ARG 56 HH12 ARG 56 -6.397 10.781 7.435 409 HH21 ARG 56 HH21 ARG 56 -4.245 13.397 6.699 410 HH22 ARG 56 HH22 ARG 56 -5.874 12.816 6.608 411 H ASN 57 HN ASN 57 -3.254 4.599 8.935 412 HA ASN 57 HA ASN 57 -3.710 2.737 7.684 413 HB2 ASN 57 HB2 ASN 57 -5.414 4.495 6.659 414 HB3 ASN 57 HB1 ASN 57 -4.371 4.278 5.269 415 HD21 ASN 57 HD21 ASN 57 -7.092 3.356 5.262 416 HD22 ASN 57 HD22 ASN 57 -7.075 1.659 5.212 417 H THR 58 HN THR 58 -2.399 1.444 6.645 418 HA THR 58 HA THR 58 -0.317 2.517 4.828 419 HB THR 58 HB THR 58 0.986 0.435 5.615 420 HG1 THR 58 HG1 THR 58 -1.175 0.431 7.249 421 HG21 THR 58 HG21 THR 58 1.442 1.881 7.900 422 HG22 THR 58 HG22 THR 58 2.153 2.217 6.330 423 HG23 THR 58 HG23 THR 58 0.712 3.090 6.840 424 H CYS 59 HN CYS 59 0.618 1.007 3.428 425 HA CYS 59 HA CYS 59 -1.435 -0.797 2.375 426 HB2 CYS 59 HB2 CYS 59 0.362 -0.387 0.410 427 HB3 CYS 59 HB1 CYS 59 -1.159 0.452 0.525 428 H SER 60 HN SER 60 -0.960 -2.854 2.257 429 HA SER 60 HA SER 60 1.865 -3.702 2.459 430 HB2 SER 60 HB2 SER 60 -0.642 -4.974 3.574 431 HB3 SER 60 HB1 SER 60 0.899 -5.818 3.470 432 HG SER 60 HG SER 60 1.517 -4.761 5.169 433 H CYS 61 HN CYS 61 2.570 -4.777 0.714 434 HA CYS 61 HA CYS 61 0.534 -5.883 -1.102 435 HB2 CYS 61 HB2 CYS 61 3.051 -5.478 -2.410 436 HB3 CYS 61 HB1 CYS 61 1.486 -4.773 -2.799 437 H ILE 62 HN ILE 62 0.596 -7.959 -1.530 438 HA ILE 62 HA ILE 62 3.110 -9.432 -1.347 439 HB ILE 62 HB ILE 62 1.700 -11.099 0.245 440 HG12 ILE 62 HG12 ILE 62 0.605 -9.781 2.004 441 HG13 ILE 62 HG11 ILE 62 0.922 -8.298 1.108 442 HG21 ILE 62 HG21 ILE 62 3.320 -8.766 1.306 443 HG22 ILE 62 HG22 ILE 62 3.076 -10.322 2.088 444 HG23 ILE 62 HG23 ILE 62 4.026 -10.223 0.609 445 HD11 ILE 62 HD11 ILE 62 -1.404 -9.588 0.886 446 HD12 ILE 62 HD12 ILE 62 -0.680 -8.764 -0.494 447 HD13 ILE 62 HD13 ILE 62 -0.496 -10.505 -0.311 448 H ARG 63 HN ARG 63 2.953 -11.623 -2.087 449 HA ARG 63 HA ARG 63 0.974 -11.916 -4.170 450 HB2 ARG 63 HB2 ARG 63 2.225 -13.839 -4.862 451 HB3 ARG 63 HB1 ARG 63 3.389 -12.594 -4.410 452 HG2 ARG 63 HG2 ARG 63 3.413 -13.669 -2.085 453 HG3 ARG 63 HG1 ARG 63 2.559 -15.027 -2.819 454 HD2 ARG 63 HD2 ARG 63 4.929 -15.517 -2.868 455 HD3 ARG 63 HD1 ARG 63 4.400 -15.188 -4.516 456 HE ARG 63 HE ARG 63 5.357 -12.820 -3.210 457 HH11 ARG 63 HH11 ARG 63 6.288 -15.745 -4.806 458 HH12 ARG 63 HH12 ARG 63 7.809 -15.124 -5.355 459 HH21 ARG 63 HH21 ARG 63 7.347 -11.998 -3.925 460 HH22 ARG 63 HH22 ARG 63 8.409 -13.003 -4.856 461 H LEU 64 HN LEU 64 0.708 -12.330 -1.008 462 HA LEU 64 HA LEU 64 -0.770 -14.882 -1.139 463 HB2 LEU 64 HB2 LEU 64 0.078 -13.259 1.272 464 HB3 LEU 64 HB1 LEU 64 -0.696 -14.842 1.313 465 HG LEU 64 HG LEU 64 1.981 -14.240 0.015 466 HD11 LEU 64 HD11 LEU 64 1.177 -15.378 2.683 467 HD12 LEU 64 HD12 LEU 64 2.701 -15.852 1.933 468 HD13 LEU 64 HD13 LEU 64 2.399 -14.159 2.323 469 HD21 LEU 64 HD21 LEU 64 1.283 -16.106 -1.156 470 HD22 LEU 64 HD22 LEU 64 1.934 -16.908 0.274 471 HD23 LEU 64 HD23 LEU 64 0.198 -16.637 0.128 472 H SER 65 HN SER 65 -2.858 -15.020 -0.016 473 HA SER 65 HA SER 65 -4.669 -13.055 -0.911 474 HB2 SER 65 HB2 SER 65 -6.338 -14.261 0.420 475 HB3 SER 65 HB1 SER 65 -5.312 -15.394 -0.455 476 HG SER 65 HG SER 65 -4.268 -14.727 1.960 477 H ARG 66 HN ARG 66 -3.096 -13.572 2.205 478 HA ARG 66 HA ARG 66 -3.453 -10.822 2.951 479 HB2 ARG 66 HB2 ARG 66 -4.769 -11.300 5.015 480 HB3 ARG 66 HB1 ARG 66 -5.684 -11.587 3.534 481 HG2 ARG 66 HG2 ARG 66 -5.234 -13.984 3.677 482 HG3 ARG 66 HG1 ARG 66 -4.227 -13.733 5.102 483 HD2 ARG 66 HD2 ARG 66 -7.154 -12.975 4.957 484 HD3 ARG 66 HD1 ARG 66 -6.570 -14.497 5.621 485 HE ARG 66 HE ARG 66 -5.188 -12.421 6.905 486 HH11 ARG 66 HH11 ARG 66 -8.397 -13.667 6.553 487 HH12 ARG 66 HH12 ARG 66 -8.921 -13.141 8.117 488 HH21 ARG 66 HH21 ARG 66 -5.867 -11.730 8.958 489 HH22 ARG 66 HH22 ARG 66 -7.489 -12.044 9.479 490 H SER 67 HN SER 67 -2.151 -10.233 4.688 491 HA SER 67 HA SER 67 -0.980 -11.664 6.655 492 HB2 SER 67 HB2 SER 67 1.326 -12.078 5.373 493 HB3 SER 67 HB1 SER 67 0.074 -13.309 5.477 494 HG SER 67 HG SER 67 -0.169 -13.150 3.402 495 H THR 68 HN THR 68 -0.699 -9.784 7.718 496 HA THR 68 HA THR 68 1.592 -8.180 7.085 497 HB THR 68 HB THR 68 0.325 -6.951 5.572 498 HG1 THR 68 HG1 THR 68 -0.512 -5.616 7.893 499 HG21 THR 68 HG21 THR 68 -2.115 -6.256 6.506 500 HG22 THR 68 HG22 THR 68 -1.832 -7.707 5.543 501 HG23 THR 68 HG23 THR 68 -1.926 -7.820 7.300 502 H TYR 69 HN TYR 69 -1.214 -6.747 8.562 503 HA TYR 69 HA TYR 69 0.088 -6.119 10.967 504 HB2 TYR 69 HB2 TYR 69 -1.850 -4.863 10.311 505 HB3 TYR 69 HB1 TYR 69 -2.852 -6.312 10.300 506 HD1 TYR 69 HD1 TYR 69 -0.618 -4.359 12.585 507 HD2 TYR 69 HD2 TYR 69 -4.099 -6.841 12.211 508 HE1 TYR 69 HE1 TYR 69 -1.124 -4.005 14.987 509 HE2 TYR 69 HE2 TYR 69 -4.605 -6.494 14.614 510 HH TYR 69 HH TYR 69 -2.638 -5.641 16.803 511 H ALA 70 HN ALA 70 -2.263 -8.687 10.252 512 HA ALA 70 HA ALA 70 -2.316 -9.779 12.840 513 HB1 ALA 70 HB1 ALA 70 -3.765 -10.246 10.654 514 HB2 ALA 70 HB2 ALA 70 -2.629 -11.583 10.485 515 HB3 ALA 70 HB3 ALA 70 -3.621 -11.447 11.936 516 H SER 71 HN SER 71 -0.243 -10.440 10.049 517 HA SER 71 HA SER 71 1.630 -11.766 9.814 518 HB2 SER 71 HB2 SER 71 3.173 -11.579 11.884 519 HB3 SER 71 HB1 SER 71 2.768 -10.103 11.011 520 HG SER 71 HG SER 71 1.984 -10.988 13.526 Start of MODEL 8 1 H LEU 1 HN LEU 1 -10.858 5.444 -6.743 2 HA LEU 1 HA LEU 1 -10.283 6.301 -4.590 3 HB2 LEU 1 HB2 LEU 1 -13.260 5.769 -4.433 4 HB3 LEU 1 HB1 LEU 1 -12.365 7.036 -3.593 5 HG LEU 1 HG LEU 1 -12.631 6.772 -6.604 6 HD11 LEU 1 HD11 LEU 1 -14.211 8.139 -4.528 7 HD12 LEU 1 HD12 LEU 1 -13.713 9.188 -5.855 8 HD13 LEU 1 HD13 LEU 1 -14.647 7.729 -6.188 9 HD21 LEU 1 HD21 LEU 1 -10.590 7.862 -6.318 10 HD22 LEU 1 HD22 LEU 1 -11.704 9.229 -6.305 11 HD23 LEU 1 HD23 LEU 1 -11.076 8.589 -4.787 12 H ARG 2 HN ARG 2 -10.846 6.080 -2.157 13 HA ARG 2 HA ARG 2 -10.590 4.829 -0.245 14 HB2 ARG 2 HB2 ARG 2 -12.306 2.877 -1.798 15 HB3 ARG 2 HB1 ARG 2 -12.019 2.836 -0.058 16 HG2 ARG 2 HG2 ARG 2 -13.005 5.106 0.138 17 HG3 ARG 2 HG1 ARG 2 -13.348 5.088 -1.592 18 HD2 ARG 2 HD2 ARG 2 -15.360 4.417 -0.429 19 HD3 ARG 2 HD1 ARG 2 -14.696 2.999 -1.236 20 HE ARG 2 HE ARG 2 -14.246 2.074 0.856 21 HH11 ARG 2 HH11 ARG 2 -15.037 5.434 1.091 22 HH12 ARG 2 HH12 ARG 2 -15.155 5.428 2.819 23 HH21 ARG 2 HH21 ARG 2 -14.394 2.058 3.122 24 HH22 ARG 2 HH22 ARG 2 -14.789 3.517 3.969 25 H VAL 3 HN VAL 3 -8.491 4.651 -2.108 26 HA VAL 3 HA VAL 3 -6.750 3.311 -2.828 27 HB VAL 3 HB VAL 3 -7.153 2.174 -0.046 28 HG11 VAL 3 HG11 VAL 3 -4.527 2.177 -0.345 29 HG12 VAL 3 HG12 VAL 3 -5.498 0.849 -0.980 30 HG13 VAL 3 HG13 VAL 3 -4.931 2.121 -2.060 31 HG21 VAL 3 HG21 VAL 3 -7.100 4.672 -0.113 32 HG22 VAL 3 HG22 VAL 3 -5.708 3.983 0.721 33 HG23 VAL 3 HG23 VAL 3 -5.542 4.589 -0.923 34 H ARG 4 HN ARG 4 -7.568 2.060 -4.478 35 HA ARG 4 HA ARG 4 -9.032 -0.391 -3.947 36 HB2 ARG 4 HB2 ARG 4 -7.860 0.527 -6.575 37 HB3 ARG 4 HB1 ARG 4 -9.172 -0.622 -6.325 38 HG2 ARG 4 HG2 ARG 4 -9.268 2.331 -5.632 39 HG3 ARG 4 HG1 ARG 4 -10.032 1.585 -7.034 40 HD2 ARG 4 HD2 ARG 4 -10.700 1.122 -4.115 41 HD3 ARG 4 HD1 ARG 4 -11.729 1.819 -5.357 42 HE ARG 4 HE ARG 4 -11.134 -0.674 -6.324 43 HH11 ARG 4 HH11 ARG 4 -12.431 0.611 -3.385 44 HH12 ARG 4 HH12 ARG 4 -13.419 -0.773 -3.054 45 HH21 ARG 4 HH21 ARG 4 -12.425 -2.494 -5.896 46 HH22 ARG 4 HH22 ARG 4 -13.416 -2.530 -4.475 47 H ARG 5 HN ARG 5 -8.013 -2.042 -5.898 48 HA ARG 5 HA ARG 5 -5.212 -2.518 -5.436 49 HB2 ARG 5 HB2 ARG 5 -5.801 -4.878 -4.647 50 HB3 ARG 5 HB1 ARG 5 -5.888 -3.575 -3.489 51 HG2 ARG 5 HG2 ARG 5 -8.309 -3.403 -3.809 52 HG3 ARG 5 HG1 ARG 5 -8.241 -4.670 -5.033 53 HD2 ARG 5 HD2 ARG 5 -7.438 -6.270 -3.357 54 HD3 ARG 5 HD1 ARG 5 -7.429 -5.005 -2.131 55 HE ARG 5 HE ARG 5 -10.013 -5.126 -3.222 56 HH11 ARG 5 HH11 ARG 5 -7.803 -7.049 -1.377 57 HH12 ARG 5 HH12 ARG 5 -9.045 -7.904 -0.526 58 HH21 ARG 5 HH21 ARG 5 -11.645 -6.249 -2.111 59 HH22 ARG 5 HH22 ARG 5 -11.218 -7.453 -0.941 60 H THR 6 HN THR 6 -4.502 -4.532 -6.523 61 HA THR 6 HA THR 6 -4.481 -6.076 -8.214 62 HB THR 6 HB THR 6 -6.393 -6.704 -9.347 63 HG1 THR 6 HG1 THR 6 -7.607 -4.306 -8.535 64 HG21 THR 6 HG21 THR 6 -6.433 -6.527 -6.601 65 HG22 THR 6 HG22 THR 6 -7.980 -5.816 -7.058 66 HG23 THR 6 HG23 THR 6 -7.578 -7.454 -7.571 67 H LEU 7 HN LEU 7 -3.345 -3.645 -8.376 68 HA LEU 7 HA LEU 7 -3.222 -3.262 -11.220 69 HB2 LEU 7 HB2 LEU 7 -3.631 -0.699 -10.858 70 HB3 LEU 7 HB1 LEU 7 -4.991 -1.791 -11.091 71 HG LEU 7 HG LEU 7 -4.202 -1.629 -8.268 72 HD11 LEU 7 HD11 LEU 7 -4.937 0.879 -9.767 73 HD12 LEU 7 HD12 LEU 7 -5.206 0.691 -8.037 74 HD13 LEU 7 HD13 LEU 7 -3.572 0.624 -8.679 75 HD21 LEU 7 HD21 LEU 7 -6.793 -0.765 -9.575 76 HD22 LEU 7 HD22 LEU 7 -6.398 -2.466 -9.368 77 HD23 LEU 7 HD23 LEU 7 -6.553 -1.422 -7.962 78 H GLN 8 HN GLN 8 -2.548 -0.524 -9.279 79 HA GLN 8 HA GLN 8 0.323 -1.152 -9.208 80 HB2 GLN 8 HB2 GLN 8 -0.897 0.845 -10.781 81 HB3 GLN 8 HB1 GLN 8 -0.210 1.686 -9.391 82 HG2 GLN 8 HG2 GLN 8 1.963 0.615 -9.800 83 HG3 GLN 8 HG1 GLN 8 1.287 -0.243 -11.183 84 HE21 GLN 8 HE21 GLN 8 3.445 1.961 -10.993 85 HE22 GLN 8 HE22 GLN 8 2.922 3.134 -12.103 86 H CYS 9 HN CYS 9 1.305 -0.625 -7.358 87 HA CYS 9 HA CYS 9 -0.359 0.541 -5.230 88 HB2 CYS 9 HB2 CYS 9 -0.066 -1.703 -4.740 89 HB3 CYS 9 HB1 CYS 9 1.621 -1.693 -5.229 90 H SER 10 HN SER 10 0.282 2.317 -4.336 91 HA SER 10 HA SER 10 3.144 3.023 -4.353 92 HB2 SER 10 HB2 SER 10 2.539 5.353 -4.825 93 HB3 SER 10 HB1 SER 10 1.973 4.304 -6.123 94 HG SER 10 HG SER 10 0.007 4.867 -5.647 95 H CYS 11 HN CYS 11 3.817 4.214 -2.530 96 HA CYS 11 HA CYS 11 1.813 4.642 -0.422 97 HB2 CYS 11 HB2 CYS 11 4.472 3.404 0.213 98 HB3 CYS 11 HB1 CYS 11 2.987 3.374 1.164 99 H ARG 12 HN ARG 12 2.601 6.082 1.309 100 HA ARG 12 HA ARG 12 5.059 7.605 0.682 101 HB2 ARG 12 HB2 ARG 12 3.949 9.756 0.598 102 HB3 ARG 12 HB1 ARG 12 3.239 8.707 -0.630 103 HG2 ARG 12 HG2 ARG 12 1.436 8.118 1.051 104 HG3 ARG 12 HG1 ARG 12 2.088 9.384 2.092 105 HD2 ARG 12 HD2 ARG 12 1.215 9.871 -0.756 106 HD3 ARG 12 HD1 ARG 12 0.168 10.115 0.632 107 HE ARG 12 HE ARG 12 1.587 11.902 1.351 108 HH11 ARG 12 HH11 ARG 12 2.522 10.492 -1.691 109 HH12 ARG 12 HH12 ARG 12 3.474 11.853 -2.169 110 HH21 ARG 12 HH21 ARG 12 2.816 13.677 0.699 111 HH22 ARG 12 HH22 ARG 12 3.642 13.648 -0.823 112 H ARG 13 HN ARG 13 5.961 8.601 2.461 113 HA ARG 13 HA ARG 13 5.453 7.646 5.003 114 HB2 ARG 13 HB2 ARG 13 7.520 8.766 4.423 115 HB3 ARG 13 HB1 ARG 13 6.651 10.292 4.318 116 HG2 ARG 13 HG2 ARG 13 6.142 10.301 6.635 117 HG3 ARG 13 HG1 ARG 13 6.590 8.603 6.812 118 HD2 ARG 13 HD2 ARG 13 8.898 9.092 6.450 119 HD3 ARG 13 HD1 ARG 13 8.549 10.759 5.998 120 HE ARG 13 HE ARG 13 7.574 10.367 8.596 121 HH11 ARG 13 HH11 ARG 13 10.563 10.312 6.856 122 HH12 ARG 13 HH12 ARG 13 11.524 10.807 8.209 123 HH21 ARG 13 HH21 ARG 13 8.832 11.024 10.383 124 HH22 ARG 13 HH22 ARG 13 10.544 11.210 10.204 125 H VAL 14 HN VAL 14 4.523 8.443 6.809 126 HA VAL 14 HA VAL 14 3.116 10.794 7.258 127 HB VAL 14 HB VAL 14 1.678 10.201 5.428 128 HG11 VAL 14 HG11 VAL 14 1.583 7.511 6.791 129 HG12 VAL 14 HG12 VAL 14 0.320 8.025 5.671 130 HG13 VAL 14 HG13 VAL 14 1.985 7.910 5.134 131 HG21 VAL 14 HG21 VAL 14 0.782 10.805 7.924 132 HG22 VAL 14 HG22 VAL 14 -0.249 10.712 6.493 133 HG23 VAL 14 HG23 VAL 14 -0.120 9.329 7.583 134 H CYS 15 HN CYS 15 4.510 9.629 9.105 135 HA CYS 15 HA CYS 15 4.394 8.889 11.282 136 HB2 CYS 15 HB2 CYS 15 2.469 9.290 12.365 137 HB3 CYS 15 HB1 CYS 15 1.703 9.605 10.817 138 H ARG 16 HN ARG 16 3.302 7.141 8.625 139 HA ARG 16 HA ARG 16 4.570 4.752 9.329 140 HB2 ARG 16 HB2 ARG 16 2.135 5.017 10.679 141 HB3 ARG 16 HB1 ARG 16 1.772 3.983 9.298 142 HG2 ARG 16 HG2 ARG 16 2.511 2.434 10.943 143 HG3 ARG 16 HG1 ARG 16 3.941 2.691 9.962 144 HD2 ARG 16 HD2 ARG 16 4.879 4.204 11.577 145 HD3 ARG 16 HD1 ARG 16 3.368 4.283 12.478 146 HE ARG 16 HE ARG 16 4.210 1.602 12.414 147 HH11 ARG 16 HH11 ARG 16 5.169 4.689 13.671 148 HH12 ARG 16 HH12 ARG 16 5.981 4.024 15.048 149 HH21 ARG 16 HH21 ARG 16 5.274 0.737 14.211 150 HH22 ARG 16 HH22 ARG 16 6.040 1.789 15.354 151 H ASN 17 HN ASN 17 4.179 6.429 7.077 152 HA ASN 17 HA ASN 17 3.821 6.238 4.835 153 HB2 ASN 17 HB2 ASN 17 4.826 3.847 5.637 154 HB3 ASN 17 HB1 ASN 17 3.336 3.376 4.841 155 HD21 ASN 17 HD21 ASN 17 6.158 3.010 3.839 156 HD22 ASN 17 HD22 ASN 17 6.212 3.821 2.350 157 H THR 18 HN THR 18 2.203 6.039 3.323 158 HA THR 18 HA THR 18 -0.478 5.400 4.351 159 HB THR 18 HB THR 18 -0.482 7.023 1.932 160 HG1 THR 18 HG1 THR 18 1.436 7.766 3.167 161 HG21 THR 18 HG21 THR 18 -2.471 6.667 3.260 162 HG22 THR 18 HG22 THR 18 -1.690 7.341 4.693 163 HG23 THR 18 HG23 THR 18 -2.052 8.381 3.315 164 H CYS 19 HN CYS 19 -1.968 4.600 2.760 165 HA CYS 19 HA CYS 19 -0.607 2.912 0.762 166 HB2 CYS 19 HB2 CYS 19 -1.775 1.870 2.726 167 HB3 CYS 19 HB1 CYS 19 -3.278 2.520 2.106 168 H SER 20 HN SER 20 -1.008 3.300 -1.281 169 HA SER 20 HA SER 20 -3.641 4.226 -2.117 170 HB2 SER 20 HB2 SER 20 -2.661 6.011 -3.517 171 HB3 SER 20 HB1 SER 20 -2.392 6.307 -1.802 172 HG SER 20 HG SER 20 -0.309 5.284 -2.121 173 H CYS 21 HN CYS 21 -4.243 2.817 -3.636 174 HA CYS 21 HA CYS 21 -2.171 1.870 -5.505 175 HB2 CYS 21 HB2 CYS 21 -4.611 0.230 -5.256 176 HB3 CYS 21 HB1 CYS 21 -2.942 -0.280 -5.452 177 H ILE 22 HN ILE 22 -2.441 2.493 -7.514 178 HA ILE 22 HA ILE 22 -5.114 2.902 -8.621 179 HB ILE 22 HB ILE 22 -4.138 5.245 -9.427 180 HG12 ILE 22 HG12 ILE 22 -2.995 6.374 -7.560 181 HG13 ILE 22 HG11 ILE 22 -2.959 4.861 -6.660 182 HG21 ILE 22 HG21 ILE 22 -5.427 4.872 -6.708 183 HG22 ILE 22 HG22 ILE 22 -5.507 6.311 -7.718 184 HG23 ILE 22 HG23 ILE 22 -6.304 4.829 -8.237 185 HD11 ILE 22 HD11 ILE 22 -0.870 5.572 -8.088 186 HD12 ILE 22 HD12 ILE 22 -1.397 3.889 -8.098 187 HD13 ILE 22 HD13 ILE 22 -1.822 4.955 -9.436 188 H ARG 23 HN ARG 23 -5.067 3.305 -10.938 189 HA ARG 23 HA ARG 23 -2.934 1.844 -12.217 190 HB2 ARG 23 HB2 ARG 23 -5.357 3.262 -13.345 191 HB3 ARG 23 HB1 ARG 23 -4.241 2.279 -14.295 192 HG2 ARG 23 HG2 ARG 23 -4.754 0.315 -12.941 193 HG3 ARG 23 HG1 ARG 23 -5.788 1.280 -11.889 194 HD2 ARG 23 HD2 ARG 23 -7.184 0.092 -13.481 195 HD3 ARG 23 HD1 ARG 23 -7.228 1.813 -13.851 196 HE ARG 23 HE ARG 23 -5.171 0.518 -15.337 197 HH11 ARG 23 HH11 ARG 23 -8.595 0.929 -15.083 198 HH12 ARG 23 HH12 ARG 23 -8.895 0.671 -16.769 199 HH21 ARG 23 HH21 ARG 23 -5.553 0.178 -17.558 200 HH22 ARG 23 HH22 ARG 23 -7.172 0.245 -18.171 201 H LEU 24 HN LEU 24 -3.250 4.958 -11.217 202 HA LEU 24 HA LEU 24 -2.015 6.286 -13.479 203 HB2 LEU 24 HB2 LEU 24 -2.482 7.260 -10.649 204 HB3 LEU 24 HB1 LEU 24 -1.979 8.261 -12.009 205 HG LEU 24 HG LEU 24 -4.562 6.674 -11.876 206 HD11 LEU 24 HD11 LEU 24 -3.953 9.620 -11.513 207 HD12 LEU 24 HD12 LEU 24 -5.576 8.988 -11.791 208 HD13 LEU 24 HD13 LEU 24 -4.687 8.527 -10.339 209 HD21 LEU 24 HD21 LEU 24 -4.195 6.868 -14.156 210 HD22 LEU 24 HD22 LEU 24 -4.968 8.423 -13.852 211 HD23 LEU 24 HD23 LEU 24 -3.213 8.321 -13.983 212 H SER 25 HN SER 25 0.084 7.048 -13.630 213 HA SER 25 HA SER 25 2.020 5.683 -11.881 214 HB2 SER 25 HB2 SER 25 2.368 6.983 -14.590 215 HB3 SER 25 HB1 SER 25 3.658 6.217 -13.668 216 HG SER 25 HG SER 25 2.019 5.060 -15.322 217 H ARG 26 HN ARG 26 0.468 8.478 -11.767 218 HA ARG 26 HA ARG 26 2.709 9.852 -10.482 219 HB2 ARG 26 HB2 ARG 26 2.234 11.958 -11.684 220 HB3 ARG 26 HB1 ARG 26 2.765 10.686 -12.784 221 HG2 ARG 26 HG2 ARG 26 0.422 10.208 -13.380 222 HG3 ARG 26 HG1 ARG 26 -0.125 11.464 -12.270 223 HD2 ARG 26 HD2 ARG 26 1.726 11.956 -14.614 224 HD3 ARG 26 HD1 ARG 26 -0.014 12.226 -14.650 225 HE ARG 26 HE ARG 26 0.988 13.631 -12.451 226 HH11 ARG 26 HH11 ARG 26 1.288 13.564 -15.897 227 HH12 ARG 26 HH12 ARG 26 1.630 15.256 -16.039 228 HH21 ARG 26 HH21 ARG 26 1.442 15.850 -12.628 229 HH22 ARG 26 HH22 ARG 26 1.717 16.551 -14.188 230 H SER 27 HN SER 27 2.014 11.660 -9.144 231 HA SER 27 HA SER 27 0.690 12.513 -7.470 232 HB2 SER 27 HB2 SER 27 -1.457 13.309 -8.135 233 HB3 SER 27 HB1 SER 27 -0.444 13.389 -9.573 234 HG SER 27 HG SER 27 -2.717 12.107 -9.279 235 H THR 28 HN THR 28 1.136 10.543 -6.276 236 HA THR 28 HA THR 28 -0.757 8.405 -6.212 237 HB THR 28 HB THR 28 0.464 7.761 -4.165 238 HG1 THR 28 HG1 THR 28 2.450 9.343 -4.073 239 HG21 THR 28 HG21 THR 28 1.431 6.971 -6.181 240 HG22 THR 28 HG22 THR 28 2.027 8.575 -6.607 241 HG23 THR 28 HG23 THR 28 2.770 7.681 -5.280 242 H TYR 29 HN TYR 29 -0.229 11.310 -4.239 243 HA TYR 29 HA TYR 29 -2.997 11.302 -3.404 244 HB2 TYR 29 HB2 TYR 29 -2.121 9.757 -1.751 245 HB3 TYR 29 HB1 TYR 29 -0.800 10.861 -1.372 246 HD1 TYR 29 HD1 TYR 29 -4.547 10.888 -1.612 247 HD2 TYR 29 HD2 TYR 29 -1.055 12.262 0.489 248 HE1 TYR 29 HE1 TYR 29 -5.992 12.039 0.043 249 HE2 TYR 29 HE2 TYR 29 -2.503 13.417 2.134 250 HH TYR 29 HH TYR 29 -6.053 13.186 1.945 251 H ALA 30 HN ALA 30 -3.694 13.334 -3.063 252 HA ALA 30 HA ALA 30 -1.810 15.426 -2.284 253 HB1 ALA 30 HB1 ALA 30 -2.685 15.038 -5.010 254 HB2 ALA 30 HB2 ALA 30 -3.258 16.586 -4.392 255 HB3 ALA 30 HB3 ALA 30 -1.536 16.210 -4.366 256 H SER 31 HN SER 31 -2.835 17.328 -1.516 257 HA SER 31 HA SER 31 -4.517 18.576 -0.555 258 HB2 SER 31 HB2 SER 31 -6.709 16.864 -1.578 259 HB3 SER 31 HB1 SER 31 -6.556 18.618 -1.574 260 HG SER 31 HG SER 31 -5.200 18.483 -3.328 261 H LEU 41 HN LEU 41 10.079 -3.673 3.873 262 HA LEU 41 HA LEU 41 8.188 -3.825 5.701 263 HB2 LEU 41 HB2 LEU 41 7.810 -1.288 4.381 264 HB3 LEU 41 HB1 LEU 41 6.378 -2.297 4.176 265 HG LEU 41 HG LEU 41 6.344 -2.715 6.623 266 HD11 LEU 41 HD11 LEU 41 8.220 -2.334 7.807 267 HD12 LEU 41 HD12 LEU 41 8.974 -1.559 6.414 268 HD13 LEU 41 HD13 LEU 41 8.003 -0.605 7.536 269 HD21 LEU 41 HD21 LEU 41 6.507 0.263 6.124 270 HD22 LEU 41 HD22 LEU 41 5.197 -0.719 5.467 271 HD23 LEU 41 HD23 LEU 41 5.423 -0.603 7.213 272 H ARG 42 HN ARG 42 9.337 -4.654 2.874 273 HA ARG 42 HA ARG 42 8.750 -6.119 1.206 274 HB2 ARG 42 HB2 ARG 42 8.094 -7.344 3.449 275 HB3 ARG 42 HB1 ARG 42 6.451 -7.092 2.858 276 HG2 ARG 42 HG2 ARG 42 6.931 -9.133 1.869 277 HG3 ARG 42 HG1 ARG 42 7.472 -8.036 0.600 278 HD2 ARG 42 HD2 ARG 42 9.784 -8.173 1.472 279 HD3 ARG 42 HD1 ARG 42 9.237 -9.274 2.731 280 HE ARG 42 HE ARG 42 9.631 -9.909 -0.077 281 HH11 ARG 42 HH11 ARG 42 8.165 -10.738 2.945 282 HH12 ARG 42 HH12 ARG 42 7.981 -12.416 2.555 283 HH21 ARG 42 HH21 ARG 42 9.392 -12.107 -0.598 284 HH22 ARG 42 HH22 ARG 42 8.677 -13.191 0.548 285 H VAL 43 HN VAL 43 7.779 -3.614 0.788 286 HA VAL 43 HA VAL 43 5.042 -4.054 -0.230 287 HB VAL 43 HB VAL 43 6.429 -1.572 0.790 288 HG11 VAL 43 HG11 VAL 43 5.619 -0.734 -1.253 289 HG12 VAL 43 HG12 VAL 43 4.239 -1.835 -1.264 290 HG13 VAL 43 HG13 VAL 43 4.267 -0.468 -0.156 291 HG21 VAL 43 HG21 VAL 43 3.565 -2.029 1.223 292 HG22 VAL 43 HG22 VAL 43 4.579 -3.303 1.902 293 HG23 VAL 43 HG23 VAL 43 4.818 -1.626 2.394 294 H ARG 44 HN ARG 44 4.863 -4.306 -2.329 295 HA ARG 44 HA ARG 44 6.783 -2.961 -4.131 296 HB2 ARG 44 HB2 ARG 44 5.815 -5.819 -4.339 297 HB3 ARG 44 HB1 ARG 44 6.735 -4.976 -5.583 298 HG2 ARG 44 HG2 ARG 44 8.565 -4.607 -3.952 299 HG3 ARG 44 HG1 ARG 44 7.653 -5.516 -2.746 300 HD2 ARG 44 HD2 ARG 44 7.659 -7.485 -4.259 301 HD3 ARG 44 HD1 ARG 44 8.630 -6.576 -5.413 302 HE ARG 44 HE ARG 44 9.549 -7.750 -2.924 303 HH11 ARG 44 HH11 ARG 44 10.057 -5.408 -5.420 304 HH12 ARG 44 HH12 ARG 44 11.762 -5.282 -5.145 305 HH21 ARG 44 HH21 ARG 44 11.783 -7.587 -2.555 306 HH22 ARG 44 HH22 ARG 44 12.740 -6.516 -3.523 307 H ARG 45 HN ARG 45 5.805 -3.591 -6.546 308 HA ARG 45 HA ARG 45 2.942 -2.998 -6.497 309 HB2 ARG 45 HB2 ARG 45 3.448 -1.371 -8.390 310 HB3 ARG 45 HB1 ARG 45 3.873 -0.836 -6.766 311 HG2 ARG 45 HG2 ARG 45 6.195 -1.524 -7.125 312 HG3 ARG 45 HG1 ARG 45 5.784 -2.150 -8.722 313 HD2 ARG 45 HD2 ARG 45 5.195 0.085 -9.491 314 HD3 ARG 45 HD1 ARG 45 5.459 0.743 -7.878 315 HE ARG 45 HE ARG 45 7.825 -0.539 -8.689 316 HH11 ARG 45 HH11 ARG 45 5.819 2.146 -9.551 317 HH12 ARG 45 HH12 ARG 45 7.125 3.098 -10.173 318 HH21 ARG 45 HH21 ARG 45 9.543 0.710 -9.492 319 HH22 ARG 45 HH22 ARG 45 9.231 2.286 -10.140 320 H THR 46 HN THR 46 1.889 -3.364 -8.525 321 HA THR 46 HA THR 46 1.554 -4.375 -10.591 322 HB THR 46 HB THR 46 4.112 -5.859 -10.579 323 HG1 THR 46 HG1 THR 46 4.898 -3.991 -9.870 324 HG21 THR 46 HG21 THR 46 2.354 -5.736 -12.432 325 HG22 THR 46 HG22 THR 46 2.917 -4.085 -12.694 326 HG23 THR 46 HG23 THR 46 4.027 -5.436 -12.904 327 H LEU 47 HN LEU 47 1.342 -5.375 -7.765 328 HA LEU 47 HA LEU 47 0.837 -8.160 -8.494 329 HB2 LEU 47 HB2 LEU 47 1.616 -8.665 -6.042 330 HB3 LEU 47 HB1 LEU 47 2.787 -8.533 -7.347 331 HG LEU 47 HG LEU 47 2.155 -5.931 -6.088 332 HD11 LEU 47 HD11 LEU 47 3.295 -8.217 -4.517 333 HD12 LEU 47 HD12 LEU 47 3.627 -6.553 -4.098 334 HD13 LEU 47 HD13 LEU 47 1.970 -7.124 -4.088 335 HD21 LEU 47 HD21 LEU 47 4.058 -6.659 -7.727 336 HD22 LEU 47 HD22 LEU 47 4.487 -5.625 -6.370 337 HD23 LEU 47 HD23 LEU 47 4.819 -7.350 -6.296 338 H GLN 48 HN GLN 48 0.578 -7.448 -5.150 339 HA GLN 48 HA GLN 48 -2.334 -6.995 -5.392 340 HB2 GLN 48 HB2 GLN 48 -1.261 -9.312 -4.431 341 HB3 GLN 48 HB1 GLN 48 -1.346 -8.341 -2.960 342 HG2 GLN 48 HG2 GLN 48 -3.437 -9.478 -3.122 343 HG3 GLN 48 HG1 GLN 48 -3.740 -7.800 -3.571 344 HE21 GLN 48 HE21 GLN 48 -5.676 -8.815 -4.757 345 HE22 GLN 48 HE22 GLN 48 -5.408 -9.427 -6.317 346 H CYS 49 HN CYS 49 -3.114 -5.411 -4.148 347 HA CYS 49 HA CYS 49 -1.207 -3.976 -2.415 348 HB2 CYS 49 HB2 CYS 49 -1.994 -2.973 -4.619 349 HB3 CYS 49 HB1 CYS 49 -3.570 -2.818 -3.842 350 H SER 50 HN SER 50 -1.737 -3.760 -0.350 351 HA SER 50 HA SER 50 -4.564 -3.837 0.419 352 HB2 SER 50 HB2 SER 50 -4.117 -5.420 2.225 353 HB3 SER 50 HB1 SER 50 -3.630 -6.138 0.692 354 HG SER 50 HG SER 50 -2.088 -6.261 2.511 355 H CYS 51 HN CYS 51 -4.939 -2.896 2.551 356 HA CYS 51 HA CYS 51 -2.683 -1.347 3.627 357 HB2 CYS 51 HB2 CYS 51 -5.366 -0.061 3.341 358 HB3 CYS 51 HB1 CYS 51 -3.777 0.694 3.444 359 H ARG 52 HN ARG 52 -3.101 -0.522 5.825 360 HA ARG 52 HA ARG 52 -5.405 -1.735 7.236 361 HB2 ARG 52 HB2 ARG 52 -4.046 -2.835 8.912 362 HB3 ARG 52 HB1 ARG 52 -3.551 -3.429 7.326 363 HG2 ARG 52 HG2 ARG 52 -1.727 -1.673 7.341 364 HG3 ARG 52 HG1 ARG 52 -2.148 -1.343 9.020 365 HD2 ARG 52 HD2 ARG 52 -1.673 -3.658 9.632 366 HD3 ARG 52 HD1 ARG 52 -1.313 -4.048 7.952 367 HE ARG 52 HE ARG 52 0.747 -2.971 8.182 368 HH11 ARG 52 HH11 ARG 52 -1.323 -2.352 10.888 369 HH12 ARG 52 HH12 ARG 52 -0.076 -1.633 11.851 370 HH21 ARG 52 HH21 ARG 52 2.384 -2.035 9.442 371 HH22 ARG 52 HH22 ARG 52 2.022 -1.454 11.033 372 H ARG 53 HN ARG 53 -6.081 -0.529 8.963 373 HA ARG 53 HA ARG 53 -5.431 2.136 9.228 374 HB2 ARG 53 HB2 ARG 53 -7.431 1.125 10.202 375 HB3 ARG 53 HB1 ARG 53 -6.418 0.375 11.429 376 HG2 ARG 53 HG2 ARG 53 -5.902 2.406 12.452 377 HG3 ARG 53 HG1 ARG 53 -6.249 3.341 10.999 378 HD2 ARG 53 HD2 ARG 53 -8.615 2.945 11.240 379 HD3 ARG 53 HD1 ARG 53 -8.344 1.864 12.606 380 HE ARG 53 HE ARG 53 -8.012 3.737 13.959 381 HH11 ARG 53 HH11 ARG 53 -8.063 4.582 10.605 382 HH12 ARG 53 HH12 ARG 53 -8.133 6.288 10.895 383 HH21 ARG 53 HH21 ARG 53 -8.121 5.973 14.348 384 HH22 ARG 53 HH22 ARG 53 -8.166 7.076 13.014 385 H VAL 54 HN VAL 54 -4.290 3.334 10.656 386 HA VAL 54 HA VAL 54 -2.668 2.619 12.778 387 HB VAL 54 HB VAL 54 -1.430 1.192 11.296 388 HG11 VAL 54 HG11 VAL 54 -1.435 3.607 9.489 389 HG12 VAL 54 HG12 VAL 54 -0.192 2.362 9.343 390 HG13 VAL 54 HG13 VAL 54 -1.885 1.949 9.142 391 HG21 VAL 54 HG21 VAL 54 0.486 3.416 11.307 392 HG22 VAL 54 HG22 VAL 54 -0.311 3.138 12.854 393 HG23 VAL 54 HG23 VAL 54 0.589 1.833 12.082 394 H CYS 55 HN CYS 55 -3.966 4.845 12.730 395 HA CYS 55 HA CYS 55 -3.721 7.114 13.021 396 HB2 CYS 55 HB2 CYS 55 -1.688 7.768 13.705 397 HB3 CYS 55 HB1 CYS 55 -1.020 6.244 13.147 398 H ARG 56 HN ARG 56 -3.016 5.496 10.171 399 HA ARG 56 HA ARG 56 -4.334 7.283 8.483 400 HB2 ARG 56 HB2 ARG 56 -1.781 8.245 9.103 401 HB3 ARG 56 HB1 ARG 56 -1.594 7.465 7.536 402 HG2 ARG 56 HG2 ARG 56 -2.275 9.666 6.959 403 HG3 ARG 56 HG1 ARG 56 -3.770 8.752 6.879 404 HD2 ARG 56 HD2 ARG 56 -4.450 9.535 9.057 405 HD3 ARG 56 HD1 ARG 56 -2.870 10.255 9.356 406 HE ARG 56 HE ARG 56 -5.008 11.365 7.737 407 HH11 ARG 56 HH11 ARG 56 -1.635 11.326 8.518 408 HH12 ARG 56 HH12 ARG 56 -1.345 12.933 7.938 409 HH21 ARG 56 HH21 ARG 56 -4.635 13.460 6.983 410 HH22 ARG 56 HH22 ARG 56 -3.045 14.141 7.070 411 H ASN 57 HN ASN 57 -4.023 4.510 8.935 412 HA ASN 57 HA ASN 57 -3.843 2.575 7.796 413 HB2 ASN 57 HB2 ASN 57 -3.966 4.378 5.406 414 HB3 ASN 57 HB1 ASN 57 -4.316 2.661 5.442 415 HD21 ASN 57 HD21 ASN 57 -5.980 5.403 5.149 416 HD22 ASN 57 HD22 ASN 57 -7.357 5.051 6.078 417 H THR 58 HN THR 58 -2.399 1.241 6.775 418 HA THR 58 HA THR 58 0.291 2.331 6.253 419 HB THR 58 HB THR 58 0.259 -0.545 6.644 420 HG1 THR 58 HG1 THR 58 -1.468 0.336 8.110 421 HG21 THR 58 HG21 THR 58 2.078 0.042 8.241 422 HG22 THR 58 HG22 THR 58 2.290 0.787 6.654 423 HG23 THR 58 HG23 THR 58 1.694 1.745 8.015 424 H CYS 59 HN CYS 59 1.511 1.108 4.689 425 HA CYS 59 HA CYS 59 -0.217 0.189 2.482 426 HB2 CYS 59 HB2 CYS 59 1.320 2.280 2.394 427 HB3 CYS 59 HB1 CYS 59 2.634 1.126 2.271 428 H SER 60 HN SER 60 -0.226 -1.906 2.245 429 HA SER 60 HA SER 60 2.296 -3.415 2.467 430 HB2 SER 60 HB2 SER 60 0.886 -5.332 3.299 431 HB3 SER 60 HB1 SER 60 1.089 -4.009 4.445 432 HG SER 60 HG SER 60 -1.029 -4.117 4.462 433 H CYS 61 HN CYS 61 2.714 -3.908 0.393 434 HA CYS 61 HA CYS 61 0.517 -5.082 -1.196 435 HB2 CYS 61 HB2 CYS 61 2.804 -3.406 -2.243 436 HB3 CYS 61 HB1 CYS 61 1.519 -4.116 -3.209 437 H ILE 62 HN ILE 62 0.861 -7.078 -1.795 438 HA ILE 62 HA ILE 62 3.562 -8.101 -2.212 439 HB ILE 62 HB ILE 62 2.878 -10.085 -0.602 440 HG12 ILE 62 HG12 ILE 62 1.652 -9.291 1.360 441 HG13 ILE 62 HG11 ILE 62 1.440 -7.710 0.611 442 HG21 ILE 62 HG21 ILE 62 3.808 -7.460 0.596 443 HG22 ILE 62 HG22 ILE 62 4.205 -9.090 1.139 444 HG23 ILE 62 HG23 ILE 62 4.854 -8.491 -0.385 445 HD11 ILE 62 HD11 ILE 62 -0.511 -9.402 0.430 446 HD12 ILE 62 HD12 ILE 62 -0.020 -8.556 -1.038 447 HD13 ILE 62 HD13 ILE 62 0.495 -10.220 -0.764 448 H ARG 63 HN ARG 63 3.446 -10.552 -2.715 449 HA ARG 63 HA ARG 63 1.367 -10.872 -4.740 450 HB2 ARG 63 HB2 ARG 63 3.847 -12.486 -4.090 451 HB3 ARG 63 HB1 ARG 63 2.724 -12.880 -5.392 452 HG2 ARG 63 HG2 ARG 63 3.139 -10.690 -6.434 453 HG3 ARG 63 HG1 ARG 63 4.235 -10.266 -5.119 454 HD2 ARG 63 HD2 ARG 63 5.683 -12.179 -5.716 455 HD3 ARG 63 HD1 ARG 63 4.602 -12.572 -7.050 456 HE ARG 63 HE ARG 63 6.504 -10.371 -6.948 457 HH11 ARG 63 HH11 ARG 63 3.710 -11.785 -8.422 458 HH12 ARG 63 HH12 ARG 63 3.884 -10.914 -9.909 459 HH21 ARG 63 HH21 ARG 63 6.735 -9.222 -8.891 460 HH22 ARG 63 HH22 ARG 63 5.597 -9.463 -10.175 461 H LEU 64 HN LEU 64 1.582 -11.429 -1.573 462 HA LEU 64 HA LEU 64 0.361 -14.098 -1.572 463 HB2 LEU 64 HB2 LEU 64 1.411 -12.287 0.584 464 HB3 LEU 64 HB1 LEU 64 0.366 -13.653 0.973 465 HG LEU 64 HG LEU 64 1.946 -15.139 -0.325 466 HD11 LEU 64 HD11 LEU 64 3.072 -13.635 -1.768 467 HD12 LEU 64 HD12 LEU 64 3.474 -12.538 -0.447 468 HD13 LEU 64 HD13 LEU 64 4.286 -14.097 -0.576 469 HD21 LEU 64 HD21 LEU 64 2.022 -14.680 2.220 470 HD22 LEU 64 HD22 LEU 64 3.449 -15.396 1.473 471 HD23 LEU 64 HD23 LEU 64 3.423 -13.677 1.848 472 H SER 65 HN SER 65 -1.556 -14.383 -0.035 473 HA SER 65 HA SER 65 -3.753 -12.951 -1.043 474 HB2 SER 65 HB2 SER 65 -3.485 -14.626 1.459 475 HB3 SER 65 HB1 SER 65 -5.018 -14.037 0.823 476 HG SER 65 HG SER 65 -3.221 -15.921 -0.238 477 H ARG 66 HN ARG 66 -1.988 -12.624 2.028 478 HA ARG 66 HA ARG 66 -2.396 -9.853 2.257 479 HB2 ARG 66 HB2 ARG 66 -3.994 -9.948 4.252 480 HB3 ARG 66 HB1 ARG 66 -4.712 -10.187 2.659 481 HG2 ARG 66 HG2 ARG 66 -4.643 -12.622 2.974 482 HG3 ARG 66 HG1 ARG 66 -3.875 -12.407 4.546 483 HD2 ARG 66 HD2 ARG 66 -6.569 -11.220 3.842 484 HD3 ARG 66 HD1 ARG 66 -6.382 -12.789 4.623 485 HE ARG 66 HE ARG 66 -5.966 -10.187 5.843 486 HH11 ARG 66 HH11 ARG 66 -5.335 -13.587 5.900 487 HH12 ARG 66 HH12 ARG 66 -4.988 -13.637 7.596 488 HH21 ARG 66 HH21 ARG 66 -5.506 -10.242 8.071 489 HH22 ARG 66 HH22 ARG 66 -5.085 -11.743 8.826 490 H SER 67 HN SER 67 -0.181 -11.309 2.601 491 HA SER 67 HA SER 67 0.200 -11.598 5.512 492 HB2 SER 67 HB2 SER 67 0.859 -13.550 4.216 493 HB3 SER 67 HB1 SER 67 1.872 -12.551 3.179 494 HG SER 67 HG SER 67 2.417 -13.633 5.588 495 H THR 68 HN THR 68 1.144 -9.992 6.560 496 HA THR 68 HA THR 68 3.391 -8.565 5.411 497 HB THR 68 HB THR 68 1.872 -7.080 4.485 498 HG1 THR 68 HG1 THR 68 3.158 -6.303 6.553 499 HG21 THR 68 HG21 THR 68 0.147 -7.968 6.746 500 HG22 THR 68 HG22 THR 68 -0.146 -6.358 6.089 501 HG23 THR 68 HG23 THR 68 -0.251 -7.772 5.040 502 H TYR 69 HN TYR 69 1.413 -6.996 7.769 503 HA TYR 69 HA TYR 69 3.124 -8.004 9.956 504 HB2 TYR 69 HB2 TYR 69 4.023 -5.840 9.309 505 HB3 TYR 69 HB1 TYR 69 2.418 -5.114 9.394 506 HD1 TYR 69 HD1 TYR 69 4.856 -7.045 11.484 507 HD2 TYR 69 HD2 TYR 69 1.708 -4.118 11.401 508 HE1 TYR 69 HE1 TYR 69 5.183 -6.624 13.906 509 HE2 TYR 69 HE2 TYR 69 2.034 -3.703 13.823 510 HH TYR 69 HH TYR 69 4.481 -4.224 15.464 511 H ALA 70 HN ALA 70 2.015 -8.651 11.682 512 HA ALA 70 HA ALA 70 -0.569 -7.442 12.322 513 HB1 ALA 70 HB1 ALA 70 -1.552 -9.138 11.119 514 HB2 ALA 70 HB2 ALA 70 -0.191 -10.237 11.352 515 HB3 ALA 70 HB3 ALA 70 -1.343 -9.968 12.661 516 H SER 71 HN SER 71 -1.258 -7.861 14.476 517 HA SER 71 HA SER 71 -0.965 -8.221 16.727 518 HB2 SER 71 HB2 SER 71 -0.345 -10.576 15.713 519 HB3 SER 71 HB1 SER 71 1.285 -10.125 16.203 520 HG SER 71 HG SER 71 0.699 -10.200 18.256 Start of MODEL 9 1 H LEU 1 HN LEU 1 -13.433 3.870 -1.451 2 HA LEU 1 HA LEU 1 -11.333 5.452 -1.362 3 HB2 LEU 1 HB2 LEU 1 -11.005 3.722 1.102 4 HB3 LEU 1 HB1 LEU 1 -9.873 4.937 0.505 5 HG LEU 1 HG LEU 1 -12.709 5.486 1.438 6 HD11 LEU 1 HD11 LEU 1 -11.671 5.275 3.463 7 HD12 LEU 1 HD12 LEU 1 -10.062 5.488 2.776 8 HD13 LEU 1 HD13 LEU 1 -11.078 6.894 3.090 9 HD21 LEU 1 HD21 LEU 1 -11.572 7.896 1.380 10 HD22 LEU 1 HD22 LEU 1 -10.571 7.136 0.143 11 HD23 LEU 1 HD23 LEU 1 -12.321 7.211 -0.062 12 H ARG 2 HN ARG 2 -10.370 4.577 -3.081 13 HA ARG 2 HA ARG 2 -10.116 1.678 -3.316 14 HB2 ARG 2 HB2 ARG 2 -9.057 2.444 -5.591 15 HB3 ARG 2 HB1 ARG 2 -10.801 2.566 -5.356 16 HG2 ARG 2 HG2 ARG 2 -9.191 4.900 -4.467 17 HG3 ARG 2 HG1 ARG 2 -9.298 4.641 -6.208 18 HD2 ARG 2 HD2 ARG 2 -11.678 4.758 -6.180 19 HD3 ARG 2 HD1 ARG 2 -11.738 4.626 -4.425 20 HE ARG 2 HE ARG 2 -10.258 6.929 -5.108 21 HH11 ARG 2 HH11 ARG 2 -13.461 5.627 -5.258 22 HH12 ARG 2 HH12 ARG 2 -14.242 7.170 -5.151 23 HH21 ARG 2 HH21 ARG 2 -11.275 8.955 -4.961 24 HH22 ARG 2 HH22 ARG 2 -13.004 9.054 -4.983 25 H VAL 3 HN VAL 3 -8.524 3.341 -1.395 26 HA VAL 3 HA VAL 3 -5.844 3.525 -2.256 27 HB VAL 3 HB VAL 3 -6.960 4.523 -0.150 28 HG11 VAL 3 HG11 VAL 3 -7.568 2.063 0.551 29 HG12 VAL 3 HG12 VAL 3 -5.925 2.045 1.192 30 HG13 VAL 3 HG13 VAL 3 -7.090 3.230 1.783 31 HG21 VAL 3 HG21 VAL 3 -4.742 5.115 -0.205 32 HG22 VAL 3 HG22 VAL 3 -4.626 3.956 1.118 33 HG23 VAL 3 HG23 VAL 3 -4.205 3.468 -0.522 34 H ARG 4 HN ARG 4 -7.776 0.844 -1.721 35 HA ARG 4 HA ARG 4 -5.406 -0.916 -1.546 36 HB2 ARG 4 HB2 ARG 4 -6.756 -2.478 -0.210 37 HB3 ARG 4 HB1 ARG 4 -6.588 -0.924 0.604 38 HG2 ARG 4 HG2 ARG 4 -8.826 -0.332 -0.592 39 HG3 ARG 4 HG1 ARG 4 -8.983 -2.074 -0.806 40 HD2 ARG 4 HD2 ARG 4 -8.665 -2.373 1.646 41 HD3 ARG 4 HD1 ARG 4 -8.658 -0.621 1.827 42 HE ARG 4 HE ARG 4 -10.968 -2.297 1.332 43 HH11 ARG 4 HH11 ARG 4 -9.548 0.850 1.083 44 HH12 ARG 4 HH12 ARG 4 -11.065 1.684 1.064 45 HH21 ARG 4 HH21 ARG 4 -12.960 -1.209 1.311 46 HH22 ARG 4 HH22 ARG 4 -12.997 0.519 1.194 47 H ARG 5 HN ARG 5 -5.207 -1.998 -3.371 48 HA ARG 5 HA ARG 5 -7.424 -3.443 -4.542 49 HB2 ARG 5 HB2 ARG 5 -6.089 -1.207 -6.069 50 HB3 ARG 5 HB1 ARG 5 -7.127 -2.430 -6.803 51 HG2 ARG 5 HG2 ARG 5 -8.920 -1.712 -5.125 52 HG3 ARG 5 HG1 ARG 5 -7.894 -0.319 -4.780 53 HD2 ARG 5 HD2 ARG 5 -9.534 0.294 -6.454 54 HD3 ARG 5 HD1 ARG 5 -7.935 0.274 -7.187 55 HE ARG 5 HE ARG 5 -9.215 -2.259 -7.481 56 HH11 ARG 5 HH11 ARG 5 -9.210 1.008 -8.622 57 HH12 ARG 5 HH12 ARG 5 -9.812 0.604 -10.194 58 HH21 ARG 5 HH21 ARG 5 -9.999 -2.797 -9.534 59 HH22 ARG 5 HH22 ARG 5 -10.260 -1.555 -10.712 60 H THR 6 HN THR 6 -5.645 -3.213 -7.121 61 HA THR 6 HA THR 6 -3.495 -5.042 -6.254 62 HB THR 6 HB THR 6 -3.967 -6.292 -8.452 63 HG1 THR 6 HG1 THR 6 -6.604 -5.652 -8.237 64 HG21 THR 6 HG21 THR 6 -5.351 -6.408 -5.856 65 HG22 THR 6 HG22 THR 6 -6.207 -7.226 -7.165 66 HG23 THR 6 HG23 THR 6 -4.553 -7.691 -6.766 67 H LEU 7 HN LEU 7 -4.598 -3.901 -9.412 68 HA LEU 7 HA LEU 7 -3.009 -3.359 -11.172 69 HB2 LEU 7 HB2 LEU 7 -2.981 -0.737 -10.825 70 HB3 LEU 7 HB1 LEU 7 -4.460 -1.604 -11.228 71 HG LEU 7 HG LEU 7 -3.887 -1.483 -8.324 72 HD11 LEU 7 HD11 LEU 7 -4.261 1.008 -9.948 73 HD12 LEU 7 HD12 LEU 7 -4.784 0.896 -8.265 74 HD13 LEU 7 HD13 LEU 7 -3.089 0.659 -8.673 75 HD21 LEU 7 HD21 LEU 7 -6.008 -2.326 -9.274 76 HD22 LEU 7 HD22 LEU 7 -6.297 -0.878 -8.322 77 HD23 LEU 7 HD23 LEU 7 -6.277 -0.778 -10.074 78 H GLN 8 HN GLN 8 -2.049 -0.798 -9.006 79 HA GLN 8 HA GLN 8 0.712 -1.812 -8.969 80 HB2 GLN 8 HB2 GLN 8 -0.107 0.393 -10.510 81 HB3 GLN 8 HB1 GLN 8 0.593 1.088 -9.045 82 HG2 GLN 8 HG2 GLN 8 2.562 -0.482 -9.387 83 HG3 GLN 8 HG1 GLN 8 1.906 -0.808 -10.989 84 HE21 GLN 8 HE21 GLN 8 3.269 0.350 -12.387 85 HE22 GLN 8 HE22 GLN 8 3.639 1.997 -12.206 86 H CYS 9 HN CYS 9 1.692 -1.548 -7.094 87 HA CYS 9 HA CYS 9 0.150 -0.233 -4.952 88 HB2 CYS 9 HB2 CYS 9 0.107 -2.485 -4.529 89 HB3 CYS 9 HB1 CYS 9 1.740 -2.744 -5.114 90 H SER 10 HN SER 10 1.041 1.509 -4.147 91 HA SER 10 HA SER 10 3.974 1.641 -3.913 92 HB2 SER 10 HB2 SER 10 2.115 3.869 -4.770 93 HB3 SER 10 HB1 SER 10 3.834 4.059 -4.434 94 HG SER 10 HG SER 10 3.203 2.002 -6.152 95 H CYS 11 HN CYS 11 4.747 2.681 -2.053 96 HA CYS 11 HA CYS 11 2.695 3.452 -0.062 97 HB2 CYS 11 HB2 CYS 11 5.277 2.168 0.751 98 HB3 CYS 11 HB1 CYS 11 3.739 2.221 1.618 99 H ARG 12 HN ARG 12 3.457 4.996 1.548 100 HA ARG 12 HA ARG 12 6.003 6.345 1.031 101 HB2 ARG 12 HB2 ARG 12 4.962 8.554 0.698 102 HB3 ARG 12 HB1 ARG 12 4.505 7.430 -0.581 103 HG2 ARG 12 HG2 ARG 12 2.389 6.960 0.582 104 HG3 ARG 12 HG1 ARG 12 2.828 8.097 1.855 105 HD2 ARG 12 HD2 ARG 12 2.898 9.924 0.211 106 HD3 ARG 12 HD1 ARG 12 2.491 8.792 -1.076 107 HE ARG 12 HE ARG 12 0.280 8.794 -0.325 108 HH11 ARG 12 HH11 ARG 12 2.412 10.308 1.941 109 HH12 ARG 12 HH12 ARG 12 1.137 10.940 2.929 110 HH21 ARG 12 HH21 ARG 12 -1.398 9.612 0.974 111 HH22 ARG 12 HH22 ARG 12 -1.019 10.548 2.380 112 H ARG 13 HN ARG 13 6.485 8.004 2.644 113 HA ARG 13 HA ARG 13 5.491 7.182 5.246 114 HB2 ARG 13 HB2 ARG 13 7.893 7.527 4.909 115 HB3 ARG 13 HB1 ARG 13 7.587 9.214 4.515 116 HG2 ARG 13 HG2 ARG 13 6.796 9.685 6.723 117 HG3 ARG 13 HG1 ARG 13 6.744 7.968 7.135 118 HD2 ARG 13 HD2 ARG 13 9.174 7.832 6.962 119 HD3 ARG 13 HD1 ARG 13 9.256 9.515 6.445 120 HE ARG 13 HE ARG 13 7.941 9.530 8.887 121 HH11 ARG 13 HH11 ARG 13 10.990 8.509 7.605 122 HH12 ARG 13 HH12 ARG 13 11.857 8.784 9.079 123 HH21 ARG 13 HH21 ARG 13 9.071 9.890 10.822 124 HH22 ARG 13 HH22 ARG 13 10.770 9.567 10.900 125 H VAL 14 HN VAL 14 4.852 8.719 6.853 126 HA VAL 14 HA VAL 14 4.031 11.356 6.226 127 HB VAL 14 HB VAL 14 2.382 10.188 4.885 128 HG11 VAL 14 HG11 VAL 14 1.612 8.820 7.495 129 HG12 VAL 14 HG12 VAL 14 0.815 8.621 5.933 130 HG13 VAL 14 HG13 VAL 14 2.466 8.061 6.150 131 HG21 VAL 14 HG21 VAL 14 1.857 12.240 6.448 132 HG22 VAL 14 HG22 VAL 14 0.529 11.401 5.645 133 HG23 VAL 14 HG23 VAL 14 0.885 11.070 7.342 134 H CYS 15 HN CYS 15 4.069 8.637 8.210 135 HA CYS 15 HA CYS 15 4.459 9.861 10.633 136 HB2 CYS 15 HB2 CYS 15 2.475 10.874 11.061 137 HB3 CYS 15 HB1 CYS 15 1.636 9.960 9.817 138 H ARG 16 HN ARG 16 3.405 7.299 8.750 139 HA ARG 16 HA ARG 16 4.500 5.302 10.425 140 HB2 ARG 16 HB2 ARG 16 2.021 6.206 11.303 141 HB3 ARG 16 HB1 ARG 16 1.636 4.789 10.330 142 HG2 ARG 16 HG2 ARG 16 2.027 3.897 12.508 143 HG3 ARG 16 HG1 ARG 16 3.548 3.618 11.669 144 HD2 ARG 16 HD2 ARG 16 4.534 5.565 12.713 145 HD3 ARG 16 HD1 ARG 16 2.988 6.040 13.410 146 HE ARG 16 HE ARG 16 4.809 4.024 14.409 147 HH11 ARG 16 HH11 ARG 16 1.512 5.101 14.267 148 HH12 ARG 16 HH12 ARG 16 1.064 4.342 15.757 149 HH21 ARG 16 HH21 ARG 16 4.221 3.066 16.378 150 HH22 ARG 16 HH22 ARG 16 2.591 3.195 16.948 151 H ASN 17 HN ASN 17 4.305 6.109 7.655 152 HA ASN 17 HA ASN 17 4.382 4.995 5.632 153 HB2 ASN 17 HB2 ASN 17 4.628 2.942 7.334 154 HB3 ASN 17 HB1 ASN 17 3.032 2.591 6.699 155 HD21 ASN 17 HD21 ASN 17 5.273 0.896 6.124 156 HD22 ASN 17 HD22 ASN 17 5.615 1.019 4.465 157 H THR 18 HN THR 18 2.983 5.289 4.093 158 HA THR 18 HA THR 18 0.100 5.205 4.648 159 HB THR 18 HB THR 18 0.869 6.765 2.300 160 HG1 THR 18 HG1 THR 18 2.636 7.164 3.775 161 HG21 THR 18 HG21 THR 18 -0.747 7.362 4.775 162 HG22 THR 18 HG22 THR 18 -0.622 8.431 3.388 163 HG23 THR 18 HG23 THR 18 -1.365 6.842 3.215 164 H CYS 19 HN CYS 19 -1.256 4.644 2.841 165 HA CYS 19 HA CYS 19 0.054 2.706 1.024 166 HB2 CYS 19 HB2 CYS 19 -1.515 1.902 2.819 167 HB3 CYS 19 HB1 CYS 19 -2.804 2.734 1.982 168 H SER 20 HN SER 20 -0.218 2.919 -1.092 169 HA SER 20 HA SER 20 -2.484 4.428 -2.148 170 HB2 SER 20 HB2 SER 20 0.401 5.147 -2.706 171 HB3 SER 20 HB1 SER 20 -0.966 5.733 -3.651 172 HG SER 20 HG SER 20 -0.746 6.019 -0.835 173 H CYS 21 HN CYS 21 -3.359 3.057 -3.585 174 HA CYS 21 HA CYS 21 -1.524 1.495 -5.297 175 HB2 CYS 21 HB2 CYS 21 -4.370 0.645 -4.824 176 HB3 CYS 21 HB1 CYS 21 -2.991 -0.336 -5.309 177 H ILE 22 HN ILE 22 -1.548 2.177 -7.330 178 HA ILE 22 HA ILE 22 -4.029 3.038 -8.604 179 HB ILE 22 HB ILE 22 -2.640 5.176 -9.376 180 HG12 ILE 22 HG12 ILE 22 -1.462 6.153 -7.454 181 HG13 ILE 22 HG11 ILE 22 -1.722 4.672 -6.538 182 HG21 ILE 22 HG21 ILE 22 -4.102 5.134 -6.723 183 HG22 ILE 22 HG22 ILE 22 -3.940 6.493 -7.830 184 HG23 ILE 22 HG23 ILE 22 -4.922 5.105 -8.287 185 HD11 ILE 22 HD11 ILE 22 0.546 5.026 -7.814 186 HD12 ILE 22 HD12 ILE 22 -0.232 3.445 -7.852 187 HD13 ILE 22 HD13 ILE 22 -0.391 4.539 -9.226 188 H ARG 23 HN ARG 23 -3.887 3.178 -10.868 189 HA ARG 23 HA ARG 23 -1.700 1.606 -11.970 190 HB2 ARG 23 HB2 ARG 23 -3.112 1.838 -14.109 191 HB3 ARG 23 HB1 ARG 23 -3.789 0.893 -12.782 192 HG2 ARG 23 HG2 ARG 23 -5.221 2.674 -12.110 193 HG3 ARG 23 HG1 ARG 23 -4.365 3.840 -13.115 194 HD2 ARG 23 HD2 ARG 23 -5.146 2.745 -15.140 195 HD3 ARG 23 HD1 ARG 23 -5.888 1.457 -14.195 196 HE ARG 23 HE ARG 23 -7.666 2.886 -13.727 197 HH11 ARG 23 HH11 ARG 23 -4.967 4.604 -15.046 198 HH12 ARG 23 HH12 ARG 23 -5.833 6.091 -15.241 199 HH21 ARG 23 HH21 ARG 23 -8.806 4.833 -13.973 200 HH22 ARG 23 HH22 ARG 23 -8.007 6.221 -14.633 201 H LEU 24 HN LEU 24 -2.217 4.799 -11.403 202 HA LEU 24 HA LEU 24 -0.362 5.577 -13.576 203 HB2 LEU 24 HB2 LEU 24 -2.796 7.073 -12.597 204 HB3 LEU 24 HB1 LEU 24 -1.545 7.809 -13.595 205 HG LEU 24 HG LEU 24 -3.057 5.296 -14.367 206 HD11 LEU 24 HD11 LEU 24 -4.632 7.140 -14.263 207 HD12 LEU 24 HD12 LEU 24 -3.520 8.185 -15.147 208 HD13 LEU 24 HD13 LEU 24 -4.266 6.807 -15.957 209 HD21 LEU 24 HD21 LEU 24 -0.891 6.931 -15.588 210 HD22 LEU 24 HD22 LEU 24 -1.245 5.216 -15.769 211 HD23 LEU 24 HD23 LEU 24 -2.172 6.408 -16.675 212 H SER 25 HN SER 25 1.275 6.961 -13.034 213 HA SER 25 HA SER 25 2.067 7.096 -10.313 214 HB2 SER 25 HB2 SER 25 3.924 8.441 -11.120 215 HB3 SER 25 HB1 SER 25 3.646 7.105 -12.233 216 HG SER 25 HG SER 25 2.516 8.536 -13.572 217 H ARG 26 HN ARG 26 0.092 9.114 -12.293 218 HA ARG 26 HA ARG 26 0.423 11.566 -10.888 219 HB2 ARG 26 HB2 ARG 26 -1.844 10.516 -12.595 220 HB3 ARG 26 HB1 ARG 26 -1.754 12.166 -11.976 221 HG2 ARG 26 HG2 ARG 26 0.393 12.493 -13.137 222 HG3 ARG 26 HG1 ARG 26 0.316 10.843 -13.753 223 HD2 ARG 26 HD2 ARG 26 -1.793 11.383 -14.925 224 HD3 ARG 26 HD1 ARG 26 -1.698 13.036 -14.325 225 HE ARG 26 HE ARG 26 0.704 12.447 -15.669 226 HH11 ARG 26 HH11 ARG 26 -2.682 12.845 -16.264 227 HH12 ARG 26 HH12 ARG 26 -2.471 13.416 -17.886 228 HH21 ARG 26 HH21 ARG 26 0.989 13.194 -17.795 229 HH22 ARG 26 HH22 ARG 26 -0.393 13.613 -18.752 230 H SER 27 HN SER 27 -0.781 12.469 -9.239 231 HA SER 27 HA SER 27 -1.907 12.455 -7.239 232 HB2 SER 27 HB2 SER 27 -3.795 10.701 -8.823 233 HB3 SER 27 HB1 SER 27 -4.184 11.526 -7.317 234 HG SER 27 HG SER 27 -3.735 13.499 -8.390 235 H THR 28 HN THR 28 0.079 11.055 -6.728 236 HA THR 28 HA THR 28 -0.251 8.283 -6.276 237 HB THR 28 HB THR 28 1.714 8.542 -4.808 238 HG1 THR 28 HG1 THR 28 1.615 10.431 -3.848 239 HG21 THR 28 HG21 THR 28 3.252 9.290 -6.532 240 HG22 THR 28 HG22 THR 28 1.942 8.381 -7.286 241 HG23 THR 28 HG23 THR 28 1.950 10.143 -7.361 242 H TYR 29 HN TYR 29 -1.224 11.115 -4.483 243 HA TYR 29 HA TYR 29 -2.592 9.382 -2.561 244 HB2 TYR 29 HB2 TYR 29 -1.673 10.385 -0.623 245 HB3 TYR 29 HB1 TYR 29 -0.285 10.023 -1.647 246 HD1 TYR 29 HD1 TYR 29 -2.020 12.569 0.157 247 HD2 TYR 29 HD2 TYR 29 0.512 11.917 -3.249 248 HE1 TYR 29 HE1 TYR 29 -1.421 14.975 0.140 249 HE2 TYR 29 HE2 TYR 29 1.119 14.320 -3.261 250 HH TYR 29 HH TYR 29 0.788 16.311 -0.813 251 H ALA 30 HN ALA 30 -4.198 10.573 -1.283 252 HA ALA 30 HA ALA 30 -5.719 12.341 -2.882 253 HB1 ALA 30 HB1 ALA 30 -5.883 11.727 0.076 254 HB2 ALA 30 HB2 ALA 30 -7.093 12.643 -0.822 255 HB3 ALA 30 HB3 ALA 30 -6.797 10.949 -1.215 256 H SER 31 HN SER 31 -6.026 14.547 -2.792 257 HA SER 31 HA SER 31 -3.966 16.271 -2.424 258 HB2 SER 31 HB2 SER 31 -5.679 18.059 -2.039 259 HB3 SER 31 HB1 SER 31 -6.030 17.024 -3.420 260 HG SER 31 HG SER 31 -7.860 17.316 -2.083 261 H LEU 41 HN LEU 41 10.767 2.077 0.123 262 HA LEU 41 HA LEU 41 9.816 4.723 -0.581 263 HB2 LEU 41 HB2 LEU 41 9.914 3.754 -3.114 264 HB3 LEU 41 HB1 LEU 41 11.123 4.843 -2.436 265 HG LEU 41 HG LEU 41 11.392 1.862 -2.084 266 HD11 LEU 41 HD11 LEU 41 12.344 3.496 -4.455 267 HD12 LEU 41 HD12 LEU 41 12.752 1.809 -4.142 268 HD13 LEU 41 HD13 LEU 41 11.085 2.263 -4.499 269 HD21 LEU 41 HD21 LEU 41 13.495 2.378 -1.357 270 HD22 LEU 41 HD22 LEU 41 13.715 3.623 -2.585 271 HD23 LEU 41 HD23 LEU 41 12.826 3.989 -1.107 272 H ARG 42 HN ARG 42 9.634 1.349 -1.748 273 HA ARG 42 HA ARG 42 6.703 1.468 -1.344 274 HB2 ARG 42 HB2 ARG 42 8.227 0.154 -3.607 275 HB3 ARG 42 HB1 ARG 42 6.492 -0.008 -3.333 276 HG2 ARG 42 HG2 ARG 42 6.170 2.383 -3.624 277 HG3 ARG 42 HG1 ARG 42 7.911 2.638 -3.738 278 HD2 ARG 42 HD2 ARG 42 6.952 2.627 -5.980 279 HD3 ARG 42 HD1 ARG 42 7.961 1.199 -5.767 280 HE ARG 42 HE ARG 42 5.236 0.646 -5.097 281 HH11 ARG 42 HH11 ARG 42 7.443 1.152 -7.714 282 HH12 ARG 42 HH12 ARG 42 6.550 0.186 -8.839 283 HH21 ARG 42 HH21 ARG 42 4.056 -0.626 -6.576 284 HH22 ARG 42 HH22 ARG 42 4.634 -0.819 -8.196 285 H VAL 43 HN VAL 43 5.809 -0.218 -0.270 286 HA VAL 43 HA VAL 43 7.458 -1.997 1.166 287 HB VAL 43 HB VAL 43 4.474 -1.971 0.698 288 HG11 VAL 43 HG11 VAL 43 4.690 -3.556 2.820 289 HG12 VAL 43 HG12 VAL 43 4.734 -4.216 1.185 290 HG13 VAL 43 HG13 VAL 43 6.237 -3.958 2.072 291 HG21 VAL 43 HG21 VAL 43 5.285 -0.151 2.085 292 HG22 VAL 43 HG22 VAL 43 4.521 -1.338 3.140 293 HG23 VAL 43 HG23 VAL 43 6.278 -1.257 3.031 294 H ARG 44 HN ARG 44 5.570 -2.390 -1.763 295 HA ARG 44 HA ARG 44 7.187 -4.726 -2.454 296 HB2 ARG 44 HB2 ARG 44 4.771 -5.188 -1.304 297 HB3 ARG 44 HB1 ARG 44 4.316 -5.112 -3.005 298 HG2 ARG 44 HG2 ARG 44 4.873 -7.363 -2.779 299 HG3 ARG 44 HG1 ARG 44 6.404 -6.694 -3.328 300 HD2 ARG 44 HD2 ARG 44 7.164 -6.524 -0.981 301 HD3 ARG 44 HD1 ARG 44 5.626 -7.189 -0.439 302 HE ARG 44 HE ARG 44 6.710 -9.002 -2.271 303 HH11 ARG 44 HH11 ARG 44 7.414 -7.606 0.812 304 HH12 ARG 44 HH12 ARG 44 8.288 -8.983 1.394 305 HH21 ARG 44 HH21 ARG 44 7.863 -10.812 -1.524 306 HH22 ARG 44 HH22 ARG 44 8.544 -10.801 0.068 307 H ARG 45 HN ARG 45 5.432 -5.457 -4.620 308 HA ARG 45 HA ARG 45 6.142 -3.294 -6.472 309 HB2 ARG 45 HB2 ARG 45 5.596 -6.219 -6.908 310 HB3 ARG 45 HB1 ARG 45 5.882 -5.069 -8.216 311 HG2 ARG 45 HG2 ARG 45 8.073 -4.495 -7.252 312 HG3 ARG 45 HG1 ARG 45 7.791 -5.617 -5.923 313 HD2 ARG 45 HD2 ARG 45 7.662 -7.486 -7.521 314 HD3 ARG 45 HD1 ARG 45 7.933 -6.369 -8.856 315 HE ARG 45 HE ARG 45 10.192 -6.281 -8.272 316 HH11 ARG 45 HH11 ARG 45 8.291 -7.793 -5.806 317 HH12 ARG 45 HH12 ARG 45 9.658 -8.360 -4.906 318 HH21 ARG 45 HH21 ARG 45 11.991 -7.033 -7.100 319 HH22 ARG 45 HH22 ARG 45 11.750 -7.930 -5.638 320 H THR 46 HN THR 46 3.885 -5.672 -7.398 321 HA THR 46 HA THR 46 1.698 -3.664 -7.460 322 HB THR 46 HB THR 46 1.006 -4.890 -9.595 323 HG1 THR 46 HG1 THR 46 3.640 -5.594 -9.962 324 HG21 THR 46 HG21 THR 46 1.893 -3.085 -10.590 325 HG22 THR 46 HG22 THR 46 2.890 -2.792 -9.168 326 HG23 THR 46 HG23 THR 46 3.502 -3.791 -10.482 327 H LEU 47 HN LEU 47 2.040 -7.094 -8.225 328 HA LEU 47 HA LEU 47 0.325 -8.712 -7.985 329 HB2 LEU 47 HB2 LEU 47 0.676 -9.537 -5.559 330 HB3 LEU 47 HB1 LEU 47 2.050 -9.513 -6.660 331 HG LEU 47 HG LEU 47 1.661 -6.988 -5.204 332 HD11 LEU 47 HD11 LEU 47 2.151 -9.558 -3.756 333 HD12 LEU 47 HD12 LEU 47 2.705 -8.011 -3.133 334 HD13 LEU 47 HD13 LEU 47 0.994 -8.278 -3.387 335 HD21 LEU 47 HD21 LEU 47 4.055 -7.106 -5.005 336 HD22 LEU 47 HD22 LEU 47 4.051 -8.836 -5.356 337 HD23 LEU 47 HD23 LEU 47 3.649 -7.679 -6.623 338 H GLN 48 HN GLN 48 -0.146 -8.096 -4.675 339 HA GLN 48 HA GLN 48 -2.882 -7.108 -5.171 340 HB2 GLN 48 HB2 GLN 48 -2.302 -9.535 -4.042 341 HB3 GLN 48 HB1 GLN 48 -2.373 -8.494 -2.618 342 HG2 GLN 48 HG2 GLN 48 -4.583 -7.637 -3.401 343 HG3 GLN 48 HG1 GLN 48 -4.530 -8.813 -4.713 344 HE21 GLN 48 HE21 GLN 48 -4.109 -11.180 -3.888 345 HE22 GLN 48 HE22 GLN 48 -4.935 -11.632 -2.475 346 H CYS 49 HN CYS 49 -3.509 -5.399 -4.026 347 HA CYS 49 HA CYS 49 -1.517 -4.201 -2.222 348 HB2 CYS 49 HB2 CYS 49 -2.073 -3.223 -4.529 349 HB3 CYS 49 HB1 CYS 49 -3.575 -2.698 -3.765 350 H SER 50 HN SER 50 -2.104 -4.189 -0.194 351 HA SER 50 HA SER 50 -4.922 -3.661 0.440 352 HB2 SER 50 HB2 SER 50 -3.075 -5.607 1.832 353 HB3 SER 50 HB1 SER 50 -4.695 -5.186 2.378 354 HG SER 50 HG SER 50 -4.035 -6.282 -0.160 355 H CYS 51 HN CYS 51 -5.285 -2.431 2.371 356 HA CYS 51 HA CYS 51 -2.861 -1.262 3.571 357 HB2 CYS 51 HB2 CYS 51 -5.273 0.429 3.010 358 HB3 CYS 51 HB1 CYS 51 -3.610 0.942 3.286 359 H ARG 52 HN ARG 52 -3.200 -0.349 5.728 360 HA ARG 52 HA ARG 52 -5.733 -1.071 7.025 361 HB2 ARG 52 HB2 ARG 52 -4.790 -2.920 7.869 362 HB3 ARG 52 HB1 ARG 52 -3.151 -2.399 7.475 363 HG2 ARG 52 HG2 ARG 52 -3.047 -1.024 9.462 364 HG3 ARG 52 HG1 ARG 52 -4.762 -1.282 9.790 365 HD2 ARG 52 HD2 ARG 52 -4.430 -3.526 10.403 366 HD3 ARG 52 HD1 ARG 52 -2.853 -3.596 9.625 367 HE ARG 52 HE ARG 52 -1.912 -2.628 11.530 368 HH11 ARG 52 HH11 ARG 52 -5.371 -2.467 11.594 369 HH12 ARG 52 HH12 ARG 52 -5.452 -1.922 13.236 370 HH21 ARG 52 HH21 ARG 52 -2.013 -1.889 13.674 371 HH22 ARG 52 HH22 ARG 52 -3.551 -1.594 14.413 372 H ARG 53 HN ARG 53 -6.317 0.217 8.678 373 HA ARG 53 HA ARG 53 -5.376 2.823 8.841 374 HB2 ARG 53 HB2 ARG 53 -7.538 2.191 9.709 375 HB3 ARG 53 HB1 ARG 53 -6.745 1.297 10.998 376 HG2 ARG 53 HG2 ARG 53 -5.893 3.242 12.011 377 HG3 ARG 53 HG1 ARG 53 -6.152 4.208 10.556 378 HD2 ARG 53 HD2 ARG 53 -8.517 4.174 10.844 379 HD3 ARG 53 HD1 ARG 53 -8.423 2.949 12.107 380 HE ARG 53 HE ARG 53 -6.950 5.197 12.944 381 HH11 ARG 53 HH11 ARG 53 -10.189 4.235 12.196 382 HH12 ARG 53 HH12 ARG 53 -10.924 5.347 13.302 383 HH21 ARG 53 HH21 ARG 53 -7.909 6.657 14.404 384 HH22 ARG 53 HH22 ARG 53 -9.633 6.716 14.551 385 H VAL 54 HN VAL 54 -4.027 3.902 10.045 386 HA VAL 54 HA VAL 54 -2.644 3.031 12.347 387 HB VAL 54 HB VAL 54 -1.673 1.469 10.650 388 HG11 VAL 54 HG11 VAL 54 -1.554 3.819 9.080 389 HG12 VAL 54 HG12 VAL 54 0.106 3.339 9.409 390 HG13 VAL 54 HG13 VAL 54 -1.006 2.208 8.672 391 HG21 VAL 54 HG21 VAL 54 0.782 2.629 11.084 392 HG22 VAL 54 HG22 VAL 54 -0.201 3.304 12.383 393 HG23 VAL 54 HG23 VAL 54 -0.050 1.557 12.209 394 H CYS 55 HN CYS 55 -3.711 5.418 12.184 395 HA CYS 55 HA CYS 55 -3.215 7.653 12.475 396 HB2 CYS 55 HB2 CYS 55 -1.123 8.147 13.157 397 HB3 CYS 55 HB1 CYS 55 -0.692 6.476 12.809 398 H ARG 56 HN ARG 56 -2.634 5.884 9.696 399 HA ARG 56 HA ARG 56 -3.627 7.801 7.906 400 HB2 ARG 56 HB2 ARG 56 -0.981 8.352 8.605 401 HB3 ARG 56 HB1 ARG 56 -0.862 7.496 7.075 402 HG2 ARG 56 HG2 ARG 56 -1.115 9.773 6.432 403 HG3 ARG 56 HG1 ARG 56 -2.740 9.116 6.269 404 HD2 ARG 56 HD2 ARG 56 -3.410 10.067 8.383 405 HD3 ARG 56 HD1 ARG 56 -1.753 10.513 8.776 406 HE ARG 56 HE ARG 56 -2.467 11.781 6.366 407 HH11 ARG 56 HH11 ARG 56 -3.239 11.775 9.749 408 HH12 ARG 56 HH12 ARG 56 -3.702 13.444 9.783 409 HH21 ARG 56 HH21 ARG 56 -3.086 13.967 6.416 410 HH22 ARG 56 HH22 ARG 56 -3.616 14.679 7.904 411 H ASN 57 HN ASN 57 -3.769 4.991 8.450 412 HA ASN 57 HA ASN 57 -3.899 3.030 7.290 413 HB2 ASN 57 HB2 ASN 57 -4.390 5.057 5.431 414 HB3 ASN 57 HB1 ASN 57 -3.276 3.939 4.670 415 HD21 ASN 57 HD21 ASN 57 -4.123 1.518 5.931 416 HD22 ASN 57 HD22 ASN 57 -5.703 1.169 5.417 417 H THR 58 HN THR 58 -2.584 1.426 6.514 418 HA THR 58 HA THR 58 0.292 2.041 6.262 419 HB THR 58 HB THR 58 -0.107 -0.750 6.676 420 HG1 THR 58 HG1 THR 58 -2.015 -0.283 7.712 421 HG21 THR 58 HG21 THR 58 1.271 -0.283 8.728 422 HG22 THR 58 HG22 THR 58 1.949 0.329 7.217 423 HG23 THR 58 HG23 THR 58 1.155 1.434 8.343 424 H CYS 59 HN CYS 59 1.479 0.537 4.893 425 HA CYS 59 HA CYS 59 -0.149 -0.201 2.545 426 HB2 CYS 59 HB2 CYS 59 1.604 1.605 2.371 427 HB3 CYS 59 HB1 CYS 59 2.813 0.385 2.719 428 H SER 60 HN SER 60 -0.526 -2.292 2.478 429 HA SER 60 HA SER 60 1.703 -4.157 2.952 430 HB2 SER 60 HB2 SER 60 -1.178 -4.557 3.802 431 HB3 SER 60 HB1 SER 60 0.106 -5.757 3.935 432 HG SER 60 HG SER 60 0.696 -3.287 4.993 433 H CYS 61 HN CYS 61 2.142 -4.853 0.971 434 HA CYS 61 HA CYS 61 -0.112 -5.690 -0.744 435 HB2 CYS 61 HB2 CYS 61 2.572 -4.576 -1.584 436 HB3 CYS 61 HB1 CYS 61 1.333 -5.161 -2.690 437 H ILE 62 HN ILE 62 -0.117 -7.763 -1.319 438 HA ILE 62 HA ILE 62 2.312 -9.374 -1.356 439 HB ILE 62 HB ILE 62 1.104 -11.015 0.341 440 HG12 ILE 62 HG12 ILE 62 -0.001 -9.795 2.154 441 HG13 ILE 62 HG11 ILE 62 0.185 -8.282 1.268 442 HG21 ILE 62 HG21 ILE 62 2.497 -8.625 1.545 443 HG22 ILE 62 HG22 ILE 62 2.587 -10.312 2.040 444 HG23 ILE 62 HG23 ILE 62 3.387 -9.788 0.561 445 HD11 ILE 62 HD11 ILE 62 -2.075 -9.561 1.079 446 HD12 ILE 62 HD12 ILE 62 -1.344 -8.927 -0.396 447 HD13 ILE 62 HD13 ILE 62 -1.184 -10.634 0.003 448 H ARG 63 HN ARG 63 1.770 -11.752 -1.772 449 HA ARG 63 HA ARG 63 -0.348 -11.827 -3.787 450 HB2 ARG 63 HB2 ARG 63 1.754 -13.888 -3.078 451 HB3 ARG 63 HB1 ARG 63 0.642 -13.982 -4.443 452 HG2 ARG 63 HG2 ARG 63 2.403 -13.019 -5.547 453 HG3 ARG 63 HG1 ARG 63 1.689 -11.539 -4.905 454 HD2 ARG 63 HD2 ARG 63 4.090 -11.576 -4.430 455 HD3 ARG 63 HD1 ARG 63 3.184 -11.697 -2.928 456 HE ARG 63 HE ARG 63 3.773 -14.294 -3.925 457 HH11 ARG 63 HH11 ARG 63 5.194 -11.510 -2.437 458 HH12 ARG 63 HH12 ARG 63 6.451 -12.404 -1.650 459 HH21 ARG 63 HH21 ARG 63 5.415 -15.470 -2.896 460 HH22 ARG 63 HH22 ARG 63 6.576 -14.647 -1.910 461 H LEU 64 HN LEU 64 -0.295 -12.232 -0.599 462 HA LEU 64 HA LEU 64 -1.910 -14.693 -0.527 463 HB2 LEU 64 HB2 LEU 64 -0.895 -12.967 1.745 464 HB3 LEU 64 HB1 LEU 64 -1.694 -14.529 1.909 465 HG LEU 64 HG LEU 64 0.920 -14.048 0.443 466 HD11 LEU 64 HD11 LEU 64 0.290 -14.505 3.236 467 HD12 LEU 64 HD12 LEU 64 1.262 -15.828 2.593 468 HD13 LEU 64 HD13 LEU 64 1.852 -14.169 2.490 469 HD21 LEU 64 HD21 LEU 64 -0.884 -16.413 0.797 470 HD22 LEU 64 HD22 LEU 64 0.084 -15.944 -0.598 471 HD23 LEU 64 HD23 LEU 64 0.857 -16.689 0.801 472 H SER 65 HN SER 65 -4.032 -14.763 0.226 473 HA SER 65 HA SER 65 -5.684 -12.571 -0.418 474 HB2 SER 65 HB2 SER 65 -6.240 -15.029 1.255 475 HB3 SER 65 HB1 SER 65 -7.475 -13.885 0.738 476 HG SER 65 HG SER 65 -6.864 -14.338 -1.419 477 H ARG 66 HN ARG 66 -4.413 -13.740 2.671 478 HA ARG 66 HA ARG 66 -5.846 -11.874 4.290 479 HB2 ARG 66 HB2 ARG 66 -3.355 -13.510 4.813 480 HB3 ARG 66 HB1 ARG 66 -4.180 -12.545 6.039 481 HG2 ARG 66 HG2 ARG 66 -6.249 -13.832 5.665 482 HG3 ARG 66 HG1 ARG 66 -5.430 -14.796 4.438 483 HD2 ARG 66 HD2 ARG 66 -3.806 -15.568 6.130 484 HD3 ARG 66 HD1 ARG 66 -4.638 -14.617 7.357 485 HE ARG 66 HE ARG 66 -6.519 -16.320 6.144 486 HH11 ARG 66 HH11 ARG 66 -3.674 -16.425 8.112 487 HH12 ARG 66 HH12 ARG 66 -4.123 -17.887 8.924 488 HH21 ARG 66 HH21 ARG 66 -7.113 -18.239 7.204 489 HH22 ARG 66 HH22 ARG 66 -6.069 -18.914 8.410 490 H SER 67 HN SER 67 -5.070 -10.001 5.322 491 HA SER 67 HA SER 67 -3.533 -8.261 3.740 492 HB2 SER 67 HB2 SER 67 -5.166 -7.451 5.375 493 HB3 SER 67 HB1 SER 67 -4.181 -8.089 6.687 494 HG SER 67 HG SER 67 -2.733 -6.536 6.374 495 H THR 68 HN THR 68 -2.701 -10.139 6.604 496 HA THR 68 HA THR 68 -0.672 -10.803 7.458 497 HB THR 68 HB THR 68 0.682 -9.887 4.943 498 HG1 THR 68 HG1 THR 68 -1.185 -11.962 5.292 499 HG21 THR 68 HG21 THR 68 1.927 -10.935 6.863 500 HG22 THR 68 HG22 THR 68 0.967 -12.395 6.616 501 HG23 THR 68 HG23 THR 68 2.058 -11.832 5.349 502 H TYR 69 HN TYR 69 -1.371 -8.544 8.516 503 HA TYR 69 HA TYR 69 0.149 -6.235 8.030 504 HB2 TYR 69 HB2 TYR 69 -1.813 -6.138 9.440 505 HB3 TYR 69 HB1 TYR 69 -1.087 -7.257 10.595 506 HD1 TYR 69 HD1 TYR 69 -0.622 -3.896 9.020 507 HD2 TYR 69 HD2 TYR 69 0.311 -6.477 12.324 508 HE1 TYR 69 HE1 TYR 69 0.457 -1.999 10.195 509 HE2 TYR 69 HE2 TYR 69 1.393 -4.580 13.499 510 HH TYR 69 HH TYR 69 2.493 -2.028 12.242 511 H ALA 70 HN ALA 70 2.169 -5.632 8.537 512 HA ALA 70 HA ALA 70 4.326 -5.723 9.315 513 HB1 ALA 70 HB1 ALA 70 2.873 -6.074 11.518 514 HB2 ALA 70 HB2 ALA 70 3.609 -7.675 11.451 515 HB3 ALA 70 HB3 ALA 70 4.629 -6.239 11.535 516 H SER 71 HN SER 71 3.639 -7.429 7.230 517 HA SER 71 HA SER 71 4.338 -10.130 7.593 518 HB2 SER 71 HB2 SER 71 3.700 -10.153 5.446 519 HB3 SER 71 HB1 SER 71 3.716 -8.392 5.409 520 HG SER 71 HG SER 71 5.367 -10.057 4.207 Start of MODEL 10 1 H LEU 1 HN LEU 1 -11.563 5.507 -8.750 2 HA LEU 1 HA LEU 1 -9.309 4.633 -8.184 3 HB2 LEU 1 HB2 LEU 1 -8.486 6.628 -6.837 4 HB3 LEU 1 HB1 LEU 1 -9.315 7.010 -8.346 5 HG LEU 1 HG LEU 1 -11.176 6.766 -6.113 6 HD11 LEU 1 HD11 LEU 1 -9.285 7.598 -4.798 7 HD12 LEU 1 HD12 LEU 1 -9.002 8.877 -5.979 8 HD13 LEU 1 HD13 LEU 1 -10.474 8.883 -5.008 9 HD21 LEU 1 HD21 LEU 1 -11.530 7.797 -8.411 10 HD22 LEU 1 HD22 LEU 1 -12.045 8.802 -7.055 11 HD23 LEU 1 HD23 LEU 1 -10.521 9.142 -7.876 12 H ARG 2 HN ARG 2 -10.153 2.686 -6.922 13 HA ARG 2 HA ARG 2 -10.401 2.866 -4.086 14 HB2 ARG 2 HB2 ARG 2 -9.747 0.483 -5.838 15 HB3 ARG 2 HB1 ARG 2 -10.252 0.405 -4.151 16 HG2 ARG 2 HG2 ARG 2 -11.962 1.838 -6.173 17 HG3 ARG 2 HG1 ARG 2 -12.049 0.084 -6.028 18 HD2 ARG 2 HD2 ARG 2 -12.554 0.319 -3.616 19 HD3 ARG 2 HD1 ARG 2 -12.503 2.069 -3.778 20 HE ARG 2 HE ARG 2 -14.339 1.089 -5.657 21 HH11 ARG 2 HH11 ARG 2 -13.850 1.307 -2.240 22 HH12 ARG 2 HH12 ARG 2 -15.539 1.373 -1.861 23 HH21 ARG 2 HH21 ARG 2 -16.556 1.178 -5.173 24 HH22 ARG 2 HH22 ARG 2 -17.072 1.300 -3.524 25 H VAL 3 HN VAL 3 -8.928 2.477 -2.480 26 HA VAL 3 HA VAL 3 -6.136 2.856 -3.204 27 HB VAL 3 HB VAL 3 -7.348 4.029 -1.266 28 HG11 VAL 3 HG11 VAL 3 -8.319 1.801 -0.465 29 HG12 VAL 3 HG12 VAL 3 -6.721 1.462 0.196 30 HG13 VAL 3 HG13 VAL 3 -7.636 2.853 0.772 31 HG21 VAL 3 HG21 VAL 3 -4.649 2.886 -1.416 32 HG22 VAL 3 HG22 VAL 3 -5.170 4.514 -0.986 33 HG23 VAL 3 HG23 VAL 3 -5.155 3.241 0.234 34 H ARG 4 HN ARG 4 -7.801 0.253 -3.528 35 HA ARG 4 HA ARG 4 -5.770 -1.523 -2.336 36 HB2 ARG 4 HB2 ARG 4 -8.722 -2.098 -2.594 37 HB3 ARG 4 HB1 ARG 4 -7.496 -3.218 -1.984 38 HG2 ARG 4 HG2 ARG 4 -6.962 -1.694 -0.150 39 HG3 ARG 4 HG1 ARG 4 -8.106 -0.507 -0.775 40 HD2 ARG 4 HD2 ARG 4 -8.846 -3.304 0.110 41 HD3 ARG 4 HD1 ARG 4 -9.055 -1.857 1.091 42 HE ARG 4 HE ARG 4 -10.338 -1.374 -1.339 43 HH11 ARG 4 HH11 ARG 4 -10.510 -3.574 1.327 44 HH12 ARG 4 HH12 ARG 4 -12.217 -3.832 1.182 45 HH21 ARG 4 HH21 ARG 4 -12.576 -1.709 -1.536 46 HH22 ARG 4 HH22 ARG 4 -13.386 -2.776 -0.438 47 H ARG 5 HN ARG 5 -7.704 -3.519 -3.719 48 HA ARG 5 HA ARG 5 -7.783 -4.720 -5.662 49 HB2 ARG 5 HB2 ARG 5 -6.980 -2.095 -6.887 50 HB3 ARG 5 HB1 ARG 5 -7.602 -3.480 -7.771 51 HG2 ARG 5 HG2 ARG 5 -9.706 -3.353 -6.527 52 HG3 ARG 5 HG1 ARG 5 -9.081 -1.999 -5.582 53 HD2 ARG 5 HD2 ARG 5 -10.473 -1.132 -7.389 54 HD3 ARG 5 HD1 ARG 5 -8.792 -0.700 -7.689 55 HE ARG 5 HE ARG 5 -8.805 -2.113 -9.548 56 HH11 ARG 5 HH11 ARG 5 -11.603 -2.571 -7.567 57 HH12 ARG 5 HH12 ARG 5 -12.424 -3.573 -8.717 58 HH21 ARG 5 HH21 ARG 5 -9.870 -3.429 -11.060 59 HH22 ARG 5 HH22 ARG 5 -11.441 -4.060 -10.695 60 H THR 6 HN THR 6 -5.895 -3.806 -7.928 61 HA THR 6 HA THR 6 -3.382 -4.865 -6.800 62 HB THR 6 HB THR 6 -3.123 -6.161 -8.945 63 HG1 THR 6 HG1 THR 6 -5.852 -5.434 -9.117 64 HG21 THR 6 HG21 THR 6 -5.365 -7.582 -8.008 65 HG22 THR 6 HG22 THR 6 -3.700 -7.796 -7.492 66 HG23 THR 6 HG23 THR 6 -4.760 -6.703 -6.613 67 H LEU 7 HN LEU 7 -4.413 -4.008 -10.077 68 HA LEU 7 HA LEU 7 -3.002 -2.924 -11.643 69 HB2 LEU 7 HB2 LEU 7 -3.421 -0.387 -11.126 70 HB3 LEU 7 HB1 LEU 7 -4.734 -1.450 -11.598 71 HG LEU 7 HG LEU 7 -4.163 -1.391 -8.690 72 HD11 LEU 7 HD11 LEU 7 -4.972 1.064 -10.164 73 HD12 LEU 7 HD12 LEU 7 -5.521 0.760 -8.516 74 HD13 LEU 7 HD13 LEU 7 -3.801 0.847 -8.856 75 HD21 LEU 7 HD21 LEU 7 -6.604 -1.356 -10.467 76 HD22 LEU 7 HD22 LEU 7 -6.112 -2.558 -9.277 77 HD23 LEU 7 HD23 LEU 7 -6.719 -0.991 -8.767 78 H GLN 8 HN GLN 8 -2.459 -0.309 -9.463 79 HA GLN 8 HA GLN 8 0.393 -1.031 -9.296 80 HB2 GLN 8 HB2 GLN 8 -0.600 1.050 -10.809 81 HB3 GLN 8 HB1 GLN 8 -0.237 1.836 -9.268 82 HG2 GLN 8 HG2 GLN 8 2.040 0.914 -9.322 83 HG3 GLN 8 HG1 GLN 8 1.688 0.137 -10.866 84 HE21 GLN 8 HE21 GLN 8 3.783 1.911 -10.903 85 HE22 GLN 8 HE22 GLN 8 3.336 3.358 -11.670 86 H CYS 9 HN CYS 9 1.295 -0.803 -7.405 87 HA CYS 9 HA CYS 9 -0.299 0.362 -5.234 88 HB2 CYS 9 HB2 CYS 9 -0.450 -1.866 -4.802 89 HB3 CYS 9 HB1 CYS 9 1.143 -2.218 -5.434 90 H SER 10 HN SER 10 0.577 1.929 -4.128 91 HA SER 10 HA SER 10 3.492 2.015 -3.812 92 HB2 SER 10 HB2 SER 10 3.525 4.411 -4.365 93 HB3 SER 10 HB1 SER 10 2.960 3.456 -5.731 94 HG SER 10 HG SER 10 1.186 4.563 -5.638 95 H CYS 11 HN CYS 11 4.204 3.124 -1.966 96 HA CYS 11 HA CYS 11 2.096 3.995 -0.110 97 HB2 CYS 11 HB2 CYS 11 4.453 2.476 0.906 98 HB3 CYS 11 HB1 CYS 11 2.856 2.642 1.619 99 H ARG 12 HN ARG 12 2.870 5.417 1.602 100 HA ARG 12 HA ARG 12 5.576 6.535 1.254 101 HB2 ARG 12 HB2 ARG 12 4.736 8.845 1.089 102 HB3 ARG 12 HB1 ARG 12 4.167 7.877 -0.271 103 HG2 ARG 12 HG2 ARG 12 2.026 7.490 0.950 104 HG3 ARG 12 HG1 ARG 12 2.609 8.549 2.231 105 HD2 ARG 12 HD2 ARG 12 2.250 9.384 -0.652 106 HD3 ARG 12 HD1 ARG 12 1.136 9.747 0.657 107 HE ARG 12 HE ARG 12 2.769 11.192 1.618 108 HH11 ARG 12 HH11 ARG 12 3.776 9.756 -1.386 109 HH12 ARG 12 HH12 ARG 12 5.035 10.910 -1.656 110 HH21 ARG 12 HH21 ARG 12 4.433 12.678 1.253 111 HH22 ARG 12 HH22 ARG 12 5.409 12.551 -0.171 112 H ARG 13 HN ARG 13 6.330 7.728 3.083 113 HA ARG 13 HA ARG 13 5.574 6.780 5.576 114 HB2 ARG 13 HB2 ARG 13 7.710 7.913 5.132 115 HB3 ARG 13 HB1 ARG 13 6.833 9.422 4.954 116 HG2 ARG 13 HG2 ARG 13 6.207 8.037 7.432 117 HG3 ARG 13 HG1 ARG 13 7.889 8.517 7.304 118 HD2 ARG 13 HD2 ARG 13 5.523 10.346 6.852 119 HD3 ARG 13 HD1 ARG 13 6.517 10.305 8.277 120 HE ARG 13 HE ARG 13 7.208 11.498 5.742 121 HH11 ARG 13 HH11 ARG 13 8.323 10.147 8.729 122 HH12 ARG 13 HH12 ARG 13 9.838 10.985 8.700 123 HH21 ARG 13 HH21 ARG 13 9.193 12.600 5.702 124 HH22 ARG 13 HH22 ARG 13 10.330 12.373 6.987 125 H VAL 14 HN VAL 14 4.452 7.615 7.228 126 HA VAL 14 HA VAL 14 3.002 10.013 7.371 127 HB VAL 14 HB VAL 14 1.815 8.851 5.441 128 HG11 VAL 14 HG11 VAL 14 0.399 7.209 7.475 129 HG12 VAL 14 HG12 VAL 14 0.648 6.913 5.774 130 HG13 VAL 14 HG13 VAL 14 1.959 6.666 6.918 131 HG21 VAL 14 HG21 VAL 14 -0.506 9.235 6.699 132 HG22 VAL 14 HG22 VAL 14 0.554 9.955 7.912 133 HG23 VAL 14 HG23 VAL 14 0.542 10.583 6.263 134 H CYS 15 HN CYS 15 4.471 8.601 9.215 135 HA CYS 15 HA CYS 15 4.282 8.175 11.468 136 HB2 CYS 15 HB2 CYS 15 2.358 8.581 12.619 137 HB3 CYS 15 HB1 CYS 15 1.783 9.230 11.094 138 H ARG 16 HN ARG 16 3.161 6.348 8.940 139 HA ARG 16 HA ARG 16 4.100 3.900 10.003 140 HB2 ARG 16 HB2 ARG 16 1.594 4.550 10.958 141 HB3 ARG 16 HB1 ARG 16 1.273 3.523 9.569 142 HG2 ARG 16 HG2 ARG 16 1.499 1.967 11.340 143 HG3 ARG 16 HG1 ARG 16 3.074 1.937 10.570 144 HD2 ARG 16 HD2 ARG 16 2.550 3.791 12.904 145 HD3 ARG 16 HD1 ARG 16 2.952 2.098 13.175 146 HE ARG 16 HE ARG 16 4.865 3.054 11.414 147 HH11 ARG 16 HH11 ARG 16 3.695 3.755 14.595 148 HH12 ARG 16 HH12 ARG 16 5.218 4.340 15.176 149 HH21 ARG 16 HH21 ARG 16 6.863 3.823 12.166 150 HH22 ARG 16 HH22 ARG 16 7.013 4.378 13.799 151 H ASN 17 HN ASN 17 3.683 5.653 7.580 152 HA ASN 17 HA ASN 17 3.856 5.261 5.328 153 HB2 ASN 17 HB2 ASN 17 4.469 2.829 6.245 154 HB3 ASN 17 HB1 ASN 17 2.930 2.463 5.497 155 HD21 ASN 17 HD21 ASN 17 5.425 1.454 4.456 156 HD22 ASN 17 HD22 ASN 17 5.686 2.161 2.935 157 H THR 18 HN THR 18 2.371 5.410 3.679 158 HA THR 18 HA THR 18 -0.478 5.173 4.436 159 HB THR 18 HB THR 18 0.055 6.789 2.063 160 HG1 THR 18 HG1 THR 18 1.779 7.088 3.964 161 HG21 THR 18 HG21 THR 18 -2.109 6.769 3.162 162 HG22 THR 18 HG22 THR 18 -1.385 7.318 4.676 163 HG23 THR 18 HG23 THR 18 -1.414 8.388 3.277 164 H CYS 19 HN CYS 19 -1.931 4.539 2.774 165 HA CYS 19 HA CYS 19 -0.698 2.717 0.799 166 HB2 CYS 19 HB2 CYS 19 -2.230 1.885 2.665 167 HB3 CYS 19 HB1 CYS 19 -3.529 2.721 1.848 168 H SER 20 HN SER 20 -0.847 3.243 -1.251 169 HA SER 20 HA SER 20 -3.237 4.590 -2.262 170 HB2 SER 20 HB2 SER 20 -0.438 5.590 -2.804 171 HB3 SER 20 HB1 SER 20 -1.933 6.249 -3.473 172 HG SER 20 HG SER 20 -1.503 6.009 -0.683 173 H CYS 21 HN CYS 21 -3.904 3.064 -3.659 174 HA CYS 21 HA CYS 21 -1.931 2.033 -5.591 175 HB2 CYS 21 HB2 CYS 21 -4.358 0.568 -4.509 176 HB3 CYS 21 HB1 CYS 21 -3.283 -0.039 -5.753 177 H ILE 22 HN ILE 22 -2.294 2.584 -7.596 178 HA ILE 22 HA ILE 22 -4.980 2.995 -8.623 179 HB ILE 22 HB ILE 22 -4.141 5.357 -9.449 180 HG12 ILE 22 HG12 ILE 22 -2.891 6.519 -7.691 181 HG13 ILE 22 HG11 ILE 22 -2.760 5.021 -6.777 182 HG21 ILE 22 HG21 ILE 22 -5.143 5.077 -6.601 183 HG22 ILE 22 HG22 ILE 22 -5.466 6.384 -7.736 184 HG23 ILE 22 HG23 ILE 22 -6.186 4.802 -8.004 185 HD11 ILE 22 HD11 ILE 22 -0.784 5.769 -8.341 186 HD12 ILE 22 HD12 ILE 22 -1.258 4.071 -8.298 187 HD13 ILE 22 HD13 ILE 22 -1.794 5.110 -9.622 188 H ARG 23 HN ARG 23 -5.053 3.368 -10.913 189 HA ARG 23 HA ARG 23 -2.789 2.140 -12.257 190 HB2 ARG 23 HB2 ARG 23 -4.552 2.564 -14.250 191 HB3 ARG 23 HB1 ARG 23 -4.603 1.154 -13.196 192 HG2 ARG 23 HG2 ARG 23 -6.820 2.213 -13.379 193 HG3 ARG 23 HG1 ARG 23 -6.224 2.299 -11.731 194 HD2 ARG 23 HD2 ARG 23 -5.837 4.591 -11.855 195 HD3 ARG 23 HD1 ARG 23 -5.610 4.559 -13.595 196 HE ARG 23 HE ARG 23 -8.137 4.772 -12.174 197 HH11 ARG 23 HH11 ARG 23 -6.446 4.088 -15.117 198 HH12 ARG 23 HH12 ARG 23 -7.808 4.414 -16.134 199 HH21 ARG 23 HH21 ARG 23 -9.919 5.198 -13.497 200 HH22 ARG 23 HH22 ARG 23 -9.776 5.042 -15.215 201 H LEU 24 HN LEU 24 -4.159 5.198 -11.778 202 HA LEU 24 HA LEU 24 -2.115 6.455 -13.469 203 HB2 LEU 24 HB2 LEU 24 -5.087 6.927 -13.781 204 HB3 LEU 24 HB1 LEU 24 -3.866 8.050 -14.378 205 HG LEU 24 HG LEU 24 -3.974 5.122 -15.151 206 HD11 LEU 24 HD11 LEU 24 -4.895 7.528 -16.737 207 HD12 LEU 24 HD12 LEU 24 -4.947 5.841 -17.252 208 HD13 LEU 24 HD13 LEU 24 -5.969 6.389 -15.926 209 HD21 LEU 24 HD21 LEU 24 -2.643 6.512 -17.121 210 HD22 LEU 24 HD22 LEU 24 -2.117 7.352 -15.665 211 HD23 LEU 24 HD23 LEU 24 -1.861 5.617 -15.818 212 H SER 25 HN SER 25 -3.376 9.046 -13.216 213 HA SER 25 HA SER 25 -3.303 10.861 -11.836 214 HB2 SER 25 HB2 SER 25 -4.208 8.833 -9.784 215 HB3 SER 25 HB1 SER 25 -4.281 10.582 -9.598 216 HG SER 25 HG SER 25 -5.638 10.615 -11.458 217 H ARG 26 HN ARG 26 -0.906 9.466 -12.303 218 HA ARG 26 HA ARG 26 0.693 8.700 -10.236 219 HB2 ARG 26 HB2 ARG 26 2.598 9.696 -11.420 220 HB3 ARG 26 HB1 ARG 26 1.491 8.934 -12.562 221 HG2 ARG 26 HG2 ARG 26 0.448 11.156 -12.987 222 HG3 ARG 26 HG1 ARG 26 1.636 11.893 -11.915 223 HD2 ARG 26 HD2 ARG 26 3.457 11.082 -13.356 224 HD3 ARG 26 HD1 ARG 26 2.278 10.330 -14.428 225 HE ARG 26 HE ARG 26 1.650 13.072 -14.149 226 HH11 ARG 26 HH11 ARG 26 4.029 10.947 -15.487 227 HH12 ARG 26 HH12 ARG 26 4.465 12.021 -16.774 228 HH21 ARG 26 HH21 ARG 26 2.213 14.486 -15.834 229 HH22 ARG 26 HH22 ARG 26 3.437 14.025 -16.971 230 H SER 27 HN SER 27 2.011 9.708 -8.668 231 HA SER 27 HA SER 27 2.415 11.185 -6.952 232 HB2 SER 27 HB2 SER 27 1.906 13.184 -9.163 233 HB3 SER 27 HB1 SER 27 2.633 13.563 -7.605 234 HG SER 27 HG SER 27 4.247 11.965 -8.143 235 H THR 28 HN THR 28 -0.199 10.167 -7.093 236 HA THR 28 HA THR 28 -2.278 12.023 -6.977 237 HB THR 28 HB THR 28 -1.974 9.463 -5.386 238 HG1 THR 28 HG1 THR 28 -3.258 9.980 -7.861 239 HG21 THR 28 HG21 THR 28 -3.781 10.581 -4.401 240 HG22 THR 28 HG22 THR 28 -4.260 11.343 -5.917 241 HG23 THR 28 HG23 THR 28 -4.568 9.625 -5.658 242 H TYR 29 HN TYR 29 0.005 10.990 -4.493 243 HA TYR 29 HA TYR 29 -1.164 12.203 -2.264 244 HB2 TYR 29 HB2 TYR 29 0.691 10.742 -1.924 245 HB3 TYR 29 HB1 TYR 29 1.726 11.705 -2.978 246 HD1 TYR 29 HD1 TYR 29 -0.300 11.971 0.168 247 HD2 TYR 29 HD2 TYR 29 3.083 13.383 -2.066 248 HE1 TYR 29 HE1 TYR 29 0.400 13.351 2.103 249 HE2 TYR 29 HE2 TYR 29 3.782 14.766 -0.130 250 HH TYR 29 HH TYR 29 3.286 15.437 1.921 251 H ALA 30 HN ALA 30 1.148 13.540 -4.622 252 HA ALA 30 HA ALA 30 1.317 16.084 -3.365 253 HB1 ALA 30 HB1 ALA 30 2.784 16.592 -5.027 254 HB2 ALA 30 HB2 ALA 30 2.719 14.857 -5.337 255 HB3 ALA 30 HB3 ALA 30 1.728 15.961 -6.290 256 H SER 31 HN SER 31 0.253 18.006 -3.791 257 HA SER 31 HA SER 31 -2.390 17.726 -4.998 258 HB2 SER 31 HB2 SER 31 -1.058 19.711 -3.213 259 HB3 SER 31 HB1 SER 31 -2.411 20.256 -4.199 260 HG SER 31 HG SER 31 -3.547 18.375 -3.336 261 H LEU 41 HN LEU 41 7.117 4.304 2.377 262 HA LEU 41 HA LEU 41 8.766 4.792 0.065 263 HB2 LEU 41 HB2 LEU 41 9.404 4.328 2.606 264 HB3 LEU 41 HB1 LEU 41 9.459 2.661 2.031 265 HG LEU 41 HG LEU 41 10.865 3.679 0.060 266 HD11 LEU 41 HD11 LEU 41 11.821 5.609 2.117 267 HD12 LEU 41 HD12 LEU 41 11.821 5.747 0.359 268 HD13 LEU 41 HD13 LEU 41 10.335 6.027 1.267 269 HD21 LEU 41 HD21 LEU 41 11.779 2.078 1.642 270 HD22 LEU 41 HD22 LEU 41 12.935 3.397 1.462 271 HD23 LEU 41 HD23 LEU 41 11.901 3.320 2.888 272 H ARG 42 HN ARG 42 6.374 3.530 -0.680 273 HA ARG 42 HA ARG 42 5.539 1.706 -1.819 274 HB2 ARG 42 HB2 ARG 42 8.362 1.207 -2.721 275 HB3 ARG 42 HB1 ARG 42 6.863 1.044 -3.631 276 HG2 ARG 42 HG2 ARG 42 8.022 3.682 -2.669 277 HG3 ARG 42 HG1 ARG 42 8.153 3.059 -4.310 278 HD2 ARG 42 HD2 ARG 42 5.637 2.956 -4.390 279 HD3 ARG 42 HD1 ARG 42 5.614 3.794 -2.842 280 HE ARG 42 HE ARG 42 6.285 4.946 -5.421 281 HH11 ARG 42 HH11 ARG 42 6.424 5.172 -1.968 282 HH12 ARG 42 HH12 ARG 42 6.647 6.889 -1.954 283 HH21 ARG 42 HH21 ARG 42 6.577 7.191 -5.409 284 HH22 ARG 42 HH22 ARG 42 6.734 8.033 -3.904 285 H VAL 43 HN VAL 43 4.949 0.319 -0.180 286 HA VAL 43 HA VAL 43 6.671 -1.325 1.294 287 HB VAL 43 HB VAL 43 3.738 -1.599 0.613 288 HG11 VAL 43 HG11 VAL 43 4.412 -3.837 1.000 289 HG12 VAL 43 HG12 VAL 43 5.562 -3.362 2.248 290 HG13 VAL 43 HG13 VAL 43 3.829 -3.280 2.568 291 HG21 VAL 43 HG21 VAL 43 3.527 -1.023 3.045 292 HG22 VAL 43 HG22 VAL 43 5.271 -0.812 3.115 293 HG23 VAL 43 HG23 VAL 43 4.293 0.255 2.110 294 H ARG 44 HN ARG 44 5.033 -1.835 -1.758 295 HA ARG 44 HA ARG 44 6.930 -3.946 -2.417 296 HB2 ARG 44 HB2 ARG 44 4.556 -4.740 -1.342 297 HB3 ARG 44 HB1 ARG 44 4.148 -4.696 -3.056 298 HG2 ARG 44 HG2 ARG 44 4.984 -6.861 -2.829 299 HG3 ARG 44 HG1 ARG 44 6.419 -5.990 -3.349 300 HD2 ARG 44 HD2 ARG 44 7.068 -5.720 -0.950 301 HD3 ARG 44 HD1 ARG 44 5.672 -6.689 -0.496 302 HE ARG 44 HE ARG 44 8.143 -7.657 -1.666 303 HH11 ARG 44 HH11 ARG 44 4.775 -8.196 -1.079 304 HH12 ARG 44 HH12 ARG 44 4.887 -9.920 -1.208 305 HH21 ARG 44 HH21 ARG 44 8.300 -9.911 -1.834 306 HH22 ARG 44 HH22 ARG 44 6.885 -10.892 -1.635 307 H ARG 45 HN ARG 45 5.376 -4.872 -4.625 308 HA ARG 45 HA ARG 45 5.859 -2.635 -6.448 309 HB2 ARG 45 HB2 ARG 45 5.422 -5.557 -7.057 310 HB3 ARG 45 HB1 ARG 45 5.872 -4.314 -8.222 311 HG2 ARG 45 HG2 ARG 45 7.550 -4.780 -5.764 312 HG3 ARG 45 HG1 ARG 45 7.751 -5.800 -7.186 313 HD2 ARG 45 HD2 ARG 45 8.129 -3.751 -8.559 314 HD3 ARG 45 HD1 ARG 45 8.030 -2.778 -7.097 315 HE ARG 45 HE ARG 45 10.144 -3.558 -6.470 316 HH11 ARG 45 HH11 ARG 45 8.867 -5.279 -9.190 317 HH12 ARG 45 HH12 ARG 45 10.363 -6.065 -9.568 318 HH21 ARG 45 HH21 ARG 45 12.105 -4.581 -6.964 319 HH22 ARG 45 HH22 ARG 45 12.197 -5.670 -8.307 320 H THR 46 HN THR 46 3.842 -5.060 -7.618 321 HA THR 46 HA THR 46 1.514 -3.248 -7.468 322 HB THR 46 HB THR 46 0.844 -4.307 -9.661 323 HG1 THR 46 HG1 THR 46 3.561 -5.008 -9.847 324 HG21 THR 46 HG21 THR 46 1.718 -2.452 -10.609 325 HG22 THR 46 HG22 THR 46 2.581 -2.164 -9.103 326 HG23 THR 46 HG23 THR 46 3.361 -3.054 -10.405 327 H LEU 47 HN LEU 47 2.161 -6.623 -8.336 328 HA LEU 47 HA LEU 47 0.573 -8.377 -8.126 329 HB2 LEU 47 HB2 LEU 47 0.951 -9.194 -5.719 330 HB3 LEU 47 HB1 LEU 47 2.351 -9.010 -6.776 331 HG LEU 47 HG LEU 47 1.646 -6.556 -5.325 332 HD11 LEU 47 HD11 LEU 47 2.294 -9.073 -3.856 333 HD12 LEU 47 HD12 LEU 47 2.807 -7.507 -3.248 334 HD13 LEU 47 HD13 LEU 47 1.102 -7.818 -3.496 335 HD21 LEU 47 HD21 LEU 47 3.755 -7.153 -6.704 336 HD22 LEU 47 HD22 LEU 47 3.989 -6.330 -5.166 337 HD23 LEU 47 HD23 LEU 47 4.253 -8.071 -5.282 338 H GLN 48 HN GLN 48 -0.031 -7.865 -4.840 339 HA GLN 48 HA GLN 48 -2.795 -7.036 -5.411 340 HB2 GLN 48 HB2 GLN 48 -1.914 -9.395 -4.209 341 HB3 GLN 48 HB1 GLN 48 -2.410 -8.364 -2.858 342 HG2 GLN 48 HG2 GLN 48 -4.571 -7.961 -3.973 343 HG3 GLN 48 HG1 GLN 48 -4.076 -9.016 -5.296 344 HE21 GLN 48 HE21 GLN 48 -6.206 -10.120 -4.381 345 HE22 GLN 48 HE22 GLN 48 -5.954 -11.310 -3.198 346 H CYS 49 HN CYS 49 -3.693 -5.541 -4.082 347 HA CYS 49 HA CYS 49 -1.841 -4.097 -2.301 348 HB2 CYS 49 HB2 CYS 49 -2.392 -2.943 -4.336 349 HB3 CYS 49 HB1 CYS 49 -4.112 -3.123 -3.968 350 H SER 50 HN SER 50 -2.343 -3.937 -0.272 351 HA SER 50 HA SER 50 -5.160 -3.912 0.504 352 HB2 SER 50 HB2 SER 50 -3.055 -5.688 1.781 353 HB3 SER 50 HB1 SER 50 -4.701 -5.474 2.368 354 HG SER 50 HG SER 50 -5.139 -6.080 -0.021 355 H CYS 51 HN CYS 51 -5.602 -2.615 2.259 356 HA CYS 51 HA CYS 51 -3.295 -1.274 3.547 357 HB2 CYS 51 HB2 CYS 51 -5.858 0.176 3.040 358 HB3 CYS 51 HB1 CYS 51 -4.234 0.827 3.231 359 H ARG 52 HN ARG 52 -3.743 -0.406 5.675 360 HA ARG 52 HA ARG 52 -6.190 -1.310 7.016 361 HB2 ARG 52 HB2 ARG 52 -4.916 -2.469 8.794 362 HB3 ARG 52 HB1 ARG 52 -4.700 -3.237 7.223 363 HG2 ARG 52 HG2 ARG 52 -2.567 -2.059 6.922 364 HG3 ARG 52 HG1 ARG 52 -2.776 -1.269 8.482 365 HD2 ARG 52 HD2 ARG 52 -2.740 -3.439 9.615 366 HD3 ARG 52 HD1 ARG 52 -2.598 -4.262 8.064 367 HE ARG 52 HE ARG 52 -0.346 -3.647 7.987 368 HH11 ARG 52 HH11 ARG 52 -2.048 -1.971 10.493 369 HH12 ARG 52 HH12 ARG 52 -0.616 -1.329 11.225 370 HH21 ARG 52 HH21 ARG 52 1.536 -2.809 8.945 371 HH22 ARG 52 HH22 ARG 52 1.413 -1.803 10.350 372 H ARG 53 HN ARG 53 -6.400 -0.417 9.215 373 HA ARG 53 HA ARG 53 -5.357 2.275 9.306 374 HB2 ARG 53 HB2 ARG 53 -7.697 1.808 9.844 375 HB3 ARG 53 HB1 ARG 53 -7.184 0.781 11.177 376 HG2 ARG 53 HG2 ARG 53 -6.301 2.591 12.395 377 HG3 ARG 53 HG1 ARG 53 -6.293 3.647 10.982 378 HD2 ARG 53 HD2 ARG 53 -8.130 4.255 12.401 379 HD3 ARG 53 HD1 ARG 53 -8.775 3.531 10.948 380 HE ARG 53 HE ARG 53 -8.442 1.559 12.982 381 HH11 ARG 53 HH11 ARG 53 -10.399 4.260 12.026 382 HH12 ARG 53 HH12 ARG 53 -11.824 3.682 12.823 383 HH21 ARG 53 HH21 ARG 53 -10.314 0.801 14.023 384 HH22 ARG 53 HH22 ARG 53 -11.776 1.727 13.951 385 H VAL 54 HN VAL 54 -4.518 3.140 11.334 386 HA VAL 54 HA VAL 54 -3.365 1.593 13.373 387 HB VAL 54 HB VAL 54 -1.927 0.727 11.663 388 HG11 VAL 54 HG11 VAL 54 -1.203 3.622 11.064 389 HG12 VAL 54 HG12 VAL 54 -0.553 2.178 10.267 390 HG13 VAL 54 HG13 VAL 54 -2.247 2.603 10.067 391 HG21 VAL 54 HG21 VAL 54 -1.075 1.741 14.013 392 HG22 VAL 54 HG22 VAL 54 0.008 0.950 12.868 393 HG23 VAL 54 HG23 VAL 54 -0.095 2.710 12.910 394 H CYS 55 HN CYS 55 -3.334 4.446 11.482 395 HA CYS 55 HA CYS 55 -3.518 6.234 13.607 396 HB2 CYS 55 HB2 CYS 55 -1.435 6.258 14.442 397 HB3 CYS 55 HB1 CYS 55 -0.793 5.343 13.091 398 H ARG 56 HN ARG 56 -3.028 5.468 10.405 399 HA ARG 56 HA ARG 56 -4.206 7.840 9.409 400 HB2 ARG 56 HB2 ARG 56 -1.536 8.174 10.102 401 HB3 ARG 56 HB1 ARG 56 -1.515 7.827 8.387 402 HG2 ARG 56 HG2 ARG 56 -1.765 10.175 8.423 403 HG3 ARG 56 HG1 ARG 56 -3.411 9.608 8.193 404 HD2 ARG 56 HD2 ARG 56 -2.318 10.151 10.966 405 HD3 ARG 56 HD1 ARG 56 -2.997 11.445 9.979 406 HE ARG 56 HE ARG 56 -4.914 9.500 9.899 407 HH11 ARG 56 HH11 ARG 56 -3.166 11.148 12.385 408 HH12 ARG 56 HH12 ARG 56 -4.449 11.051 13.545 409 HH21 ARG 56 HH21 ARG 56 -6.603 9.368 11.410 410 HH22 ARG 56 HH22 ARG 56 -6.398 10.042 12.991 411 H ASN 57 HN ASN 57 -4.043 4.937 9.070 412 HA ASN 57 HA ASN 57 -4.484 3.492 7.338 413 HB2 ASN 57 HB2 ASN 57 -4.965 5.801 6.115 414 HB3 ASN 57 HB1 ASN 57 -3.475 5.389 5.296 415 HD21 ASN 57 HD21 ASN 57 -4.151 4.636 3.310 416 HD22 ASN 57 HD22 ASN 57 -5.296 3.406 3.065 417 H THR 58 HN THR 58 -3.185 1.915 6.827 418 HA THR 58 HA THR 58 -0.303 2.412 6.484 419 HB THR 58 HB THR 58 -0.998 -0.348 7.075 420 HG1 THR 58 HG1 THR 58 -2.605 0.518 8.358 421 HG21 THR 58 HG21 THR 58 0.743 -0.035 8.800 422 HG22 THR 58 HG22 THR 58 1.266 0.499 7.200 423 HG23 THR 58 HG23 THR 58 0.773 1.671 8.414 424 H CYS 59 HN CYS 59 0.834 0.925 5.090 425 HA CYS 59 HA CYS 59 -0.829 0.069 2.800 426 HB2 CYS 59 HB2 CYS 59 0.807 1.937 2.501 427 HB3 CYS 59 HB1 CYS 59 2.098 0.813 2.870 428 H SER 60 HN SER 60 -0.793 -1.934 2.126 429 HA SER 60 HA SER 60 1.424 -3.705 2.784 430 HB2 SER 60 HB2 SER 60 -1.426 -4.263 3.624 431 HB3 SER 60 HB1 SER 60 -0.099 -5.421 3.708 432 HG SER 60 HG SER 60 -0.263 -2.901 5.027 433 H CYS 61 HN CYS 61 1.937 -4.330 0.771 434 HA CYS 61 HA CYS 61 -0.235 -5.325 -0.971 435 HB2 CYS 61 HB2 CYS 61 2.359 -3.974 -1.763 436 HB3 CYS 61 HB1 CYS 61 1.257 -4.735 -2.901 437 H ILE 62 HN ILE 62 -0.143 -7.377 -1.416 438 HA ILE 62 HA ILE 62 2.374 -8.848 -1.474 439 HB ILE 62 HB ILE 62 1.239 -10.528 0.228 440 HG12 ILE 62 HG12 ILE 62 0.134 -9.313 2.051 441 HG13 ILE 62 HG11 ILE 62 0.234 -7.819 1.129 442 HG21 ILE 62 HG21 ILE 62 2.642 -8.035 1.241 443 HG22 ILE 62 HG22 ILE 62 2.655 -9.635 1.969 444 HG23 ILE 62 HG23 ILE 62 3.485 -9.367 0.443 445 HD11 ILE 62 HD11 ILE 62 -1.972 -9.250 1.063 446 HD12 ILE 62 HD12 ILE 62 -1.367 -8.515 -0.420 447 HD13 ILE 62 HD13 ILE 62 -1.076 -10.226 -0.098 448 H ARG 63 HN ARG 63 2.178 -11.006 -2.275 449 HA ARG 63 HA ARG 63 -0.289 -11.375 -3.842 450 HB2 ARG 63 HB2 ARG 63 1.021 -12.887 -5.236 451 HB3 ARG 63 HB1 ARG 63 1.844 -11.334 -5.079 452 HG2 ARG 63 HG2 ARG 63 3.179 -12.325 -3.184 453 HG3 ARG 63 HG1 ARG 63 2.470 -13.891 -3.585 454 HD2 ARG 63 HD2 ARG 63 4.053 -12.158 -5.503 455 HD3 ARG 63 HD1 ARG 63 4.688 -13.568 -4.660 456 HE ARG 63 HE ARG 63 2.824 -13.574 -6.905 457 HH11 ARG 63 HH11 ARG 63 4.316 -15.289 -4.290 458 HH12 ARG 63 HH12 ARG 63 4.019 -16.854 -4.968 459 HH21 ARG 63 HH21 ARG 63 2.428 -15.627 -7.792 460 HH22 ARG 63 HH22 ARG 63 2.949 -17.045 -6.947 461 H LEU 64 HN LEU 64 0.640 -12.210 -0.924 462 HA LEU 64 HA LEU 64 -0.133 -15.050 -1.111 463 HB2 LEU 64 HB2 LEU 64 0.998 -13.492 1.227 464 HB3 LEU 64 HB1 LEU 64 0.687 -15.227 1.196 465 HG LEU 64 HG LEU 64 2.588 -13.761 -0.661 466 HD11 LEU 64 HD11 LEU 64 4.102 -13.945 0.987 467 HD12 LEU 64 HD12 LEU 64 2.906 -14.711 2.032 468 HD13 LEU 64 HD13 LEU 64 3.897 -15.696 0.955 469 HD21 LEU 64 HD21 LEU 64 1.576 -16.567 -0.493 470 HD22 LEU 64 HD22 LEU 64 2.063 -15.630 -1.906 471 HD23 LEU 64 HD23 LEU 64 3.287 -16.348 -0.858 472 H SER 65 HN SER 65 -1.906 -15.873 -0.092 473 HA SER 65 HA SER 65 -4.063 -14.054 0.440 474 HB2 SER 65 HB2 SER 65 -5.399 -16.040 0.793 475 HB3 SER 65 HB1 SER 65 -4.374 -16.293 -0.616 476 HG SER 65 HG SER 65 -3.090 -17.616 0.550 477 H ARG 66 HN ARG 66 -1.507 -15.184 2.291 478 HA ARG 66 HA ARG 66 -2.891 -14.395 4.770 479 HB2 ARG 66 HB2 ARG 66 -1.968 -16.259 5.985 480 HB3 ARG 66 HB1 ARG 66 -2.816 -16.898 4.576 481 HG2 ARG 66 HG2 ARG 66 -0.587 -16.892 3.359 482 HG3 ARG 66 HG1 ARG 66 0.172 -16.529 4.910 483 HD2 ARG 66 HD2 ARG 66 -0.824 -18.575 5.872 484 HD3 ARG 66 HD1 ARG 66 -1.546 -18.949 4.309 485 HE ARG 66 HE ARG 66 1.253 -18.584 4.012 486 HH11 ARG 66 HH11 ARG 66 -1.123 -20.740 5.303 487 HH12 ARG 66 HH12 ARG 66 -0.145 -22.156 5.108 488 HH21 ARG 66 HH21 ARG 66 2.543 -20.436 3.750 489 HH22 ARG 66 HH22 ARG 66 1.930 -21.984 4.228 490 H SER 67 HN SER 67 -1.303 -13.968 6.554 491 HA SER 67 HA SER 67 0.677 -13.090 7.381 492 HB2 SER 67 HB2 SER 67 2.665 -13.498 6.308 493 HB3 SER 67 HB1 SER 67 1.653 -14.657 5.451 494 HG SER 67 HG SER 67 3.022 -13.006 4.242 495 H THR 68 HN THR 68 0.122 -11.066 7.858 496 HA THR 68 HA THR 68 0.796 -8.962 6.007 497 HB THR 68 HB THR 68 -1.384 -9.310 5.142 498 HG1 THR 68 HG1 THR 68 -0.756 -7.147 6.490 499 HG21 THR 68 HG21 THR 68 -1.940 -10.126 7.878 500 HG22 THR 68 HG22 THR 68 -3.175 -9.025 7.269 501 HG23 THR 68 HG23 THR 68 -2.815 -10.514 6.396 502 H TYR 69 HN TYR 69 2.083 -7.954 7.418 503 HA TYR 69 HA TYR 69 2.821 -6.985 9.394 504 HB2 TYR 69 HB2 TYR 69 1.574 -5.145 8.496 505 HB3 TYR 69 HB1 TYR 69 0.043 -5.848 9.021 506 HD1 TYR 69 HD1 TYR 69 3.312 -4.578 10.325 507 HD2 TYR 69 HD2 TYR 69 -0.834 -5.344 11.148 508 HE1 TYR 69 HE1 TYR 69 3.534 -3.430 12.512 509 HE2 TYR 69 HE2 TYR 69 -0.611 -4.196 13.336 510 HH TYR 69 HH TYR 69 2.078 -2.281 14.139 511 H ALA 70 HN ALA 70 2.969 -8.896 10.670 512 HA ALA 70 HA ALA 70 1.076 -8.909 12.901 513 HB1 ALA 70 HB1 ALA 70 0.067 -10.826 12.331 514 HB2 ALA 70 HB2 ALA 70 0.991 -10.863 10.828 515 HB3 ALA 70 HB3 ALA 70 1.630 -11.641 12.276 516 H SER 71 HN SER 71 1.905 -9.957 14.789 517 HA SER 71 HA SER 71 4.758 -10.675 14.713 518 HB2 SER 71 HB2 SER 71 3.607 -8.296 15.941 519 HB3 SER 71 HB1 SER 71 4.482 -9.289 17.103 520 HG SER 71 HG SER 71 5.423 -8.305 14.608 Start of MODEL 11 1 H LEU 1 HN LEU 1 -11.410 8.885 -3.928 2 HA LEU 1 HA LEU 1 -9.975 9.180 -2.138 3 HB2 LEU 1 HB2 LEU 1 -12.615 9.486 -0.969 4 HB3 LEU 1 HB1 LEU 1 -11.490 8.738 0.166 5 HG LEU 1 HG LEU 1 -9.869 10.553 -0.236 6 HD11 LEU 1 HD11 LEU 1 -11.407 12.529 -1.488 7 HD12 LEU 1 HD12 LEU 1 -10.045 11.661 -2.195 8 HD13 LEU 1 HD13 LEU 1 -11.689 11.077 -2.448 9 HD21 LEU 1 HD21 LEU 1 -12.570 11.790 0.335 10 HD22 LEU 1 HD22 LEU 1 -11.778 10.709 1.481 11 HD23 LEU 1 HD23 LEU 1 -11.006 12.226 1.023 12 H ARG 2 HN ARG 2 -12.100 6.482 -2.400 13 HA ARG 2 HA ARG 2 -10.824 4.782 -0.486 14 HB2 ARG 2 HB2 ARG 2 -12.581 4.153 -2.867 15 HB3 ARG 2 HB1 ARG 2 -12.068 2.970 -1.664 16 HG2 ARG 2 HG2 ARG 2 -13.203 4.162 0.099 17 HG3 ARG 2 HG1 ARG 2 -13.551 5.519 -0.973 18 HD2 ARG 2 HD2 ARG 2 -14.581 2.703 -1.403 19 HD3 ARG 2 HD1 ARG 2 -15.508 3.989 -0.637 20 HE ARG 2 HE ARG 2 -14.604 4.953 -3.110 21 HH11 ARG 2 HH11 ARG 2 -16.661 2.495 -1.807 22 HH12 ARG 2 HH12 ARG 2 -17.733 2.476 -3.167 23 HH21 ARG 2 HH21 ARG 2 -16.010 4.941 -4.894 24 HH22 ARG 2 HH22 ARG 2 -17.365 3.863 -4.915 25 H VAL 3 HN VAL 3 -9.443 2.993 -0.908 26 HA VAL 3 HA VAL 3 -7.742 3.394 -3.285 27 HB VAL 3 HB VAL 3 -7.099 2.052 -0.640 28 HG11 VAL 3 HG11 VAL 3 -5.584 1.005 -1.991 29 HG12 VAL 3 HG12 VAL 3 -5.724 2.218 -3.263 30 HG13 VAL 3 HG13 VAL 3 -4.724 2.535 -1.847 31 HG21 VAL 3 HG21 VAL 3 -7.333 4.726 -1.063 32 HG22 VAL 3 HG22 VAL 3 -6.175 4.024 0.066 33 HG23 VAL 3 HG23 VAL 3 -5.662 4.482 -1.555 34 H ARG 4 HN ARG 4 -8.008 1.979 -4.855 35 HA ARG 4 HA ARG 4 -9.399 -0.536 -4.430 36 HB2 ARG 4 HB2 ARG 4 -8.239 0.722 -6.927 37 HB3 ARG 4 HB1 ARG 4 -9.175 -0.772 -6.893 38 HG2 ARG 4 HG2 ARG 4 -11.115 0.393 -6.020 39 HG3 ARG 4 HG1 ARG 4 -10.191 1.885 -5.852 40 HD2 ARG 4 HD2 ARG 4 -11.511 2.026 -7.882 41 HD3 ARG 4 HD1 ARG 4 -9.815 1.873 -8.327 42 HE ARG 4 HE ARG 4 -11.007 -0.699 -8.221 43 HH11 ARG 4 HH11 ARG 4 -10.986 2.244 -10.043 44 HH12 ARG 4 HH12 ARG 4 -11.386 1.480 -11.545 45 HH21 ARG 4 HH21 ARG 4 -11.526 -1.709 -10.194 46 HH22 ARG 4 HH22 ARG 4 -11.691 -0.756 -11.631 47 H ARG 5 HN ARG 5 -8.246 -2.199 -6.253 48 HA ARG 5 HA ARG 5 -5.429 -2.493 -5.726 49 HB2 ARG 5 HB2 ARG 5 -5.887 -4.858 -4.881 50 HB3 ARG 5 HB1 ARG 5 -6.116 -3.535 -3.766 51 HG2 ARG 5 HG2 ARG 5 -8.517 -3.552 -4.155 52 HG3 ARG 5 HG1 ARG 5 -8.328 -4.803 -5.383 53 HD2 ARG 5 HD2 ARG 5 -7.443 -6.350 -3.677 54 HD3 ARG 5 HD1 ARG 5 -7.615 -5.097 -2.449 55 HE ARG 5 HE ARG 5 -10.117 -5.418 -3.646 56 HH11 ARG 5 HH11 ARG 5 -7.827 -7.246 -1.804 57 HH12 ARG 5 HH12 ARG 5 -9.024 -8.250 -1.056 58 HH21 ARG 5 HH21 ARG 5 -11.690 -6.738 -2.674 59 HH22 ARG 5 HH22 ARG 5 -11.209 -7.962 -1.547 60 H THR 6 HN THR 6 -4.632 -4.583 -6.715 61 HA THR 6 HA THR 6 -4.556 -6.182 -8.359 62 HB THR 6 HB THR 6 -6.402 -6.761 -9.627 63 HG1 THR 6 HG1 THR 6 -7.655 -4.364 -8.881 64 HG21 THR 6 HG21 THR 6 -6.612 -6.544 -6.876 65 HG22 THR 6 HG22 THR 6 -8.131 -5.865 -7.461 66 HG23 THR 6 HG23 THR 6 -7.666 -7.503 -7.913 67 H LEU 7 HN LEU 7 -3.455 -3.648 -8.472 68 HA LEU 7 HA LEU 7 -3.053 -3.391 -11.319 69 HB2 LEU 7 HB2 LEU 7 -3.462 -0.808 -11.023 70 HB3 LEU 7 HB1 LEU 7 -4.805 -1.896 -11.370 71 HG LEU 7 HG LEU 7 -4.257 -1.699 -8.489 72 HD11 LEU 7 HD11 LEU 7 -4.864 0.774 -10.090 73 HD12 LEU 7 HD12 LEU 7 -5.327 0.610 -8.402 74 HD13 LEU 7 HD13 LEU 7 -3.629 0.541 -8.845 75 HD21 LEU 7 HD21 LEU 7 -6.327 -2.608 -9.737 76 HD22 LEU 7 HD22 LEU 7 -6.636 -1.523 -8.388 77 HD23 LEU 7 HD23 LEU 7 -6.736 -0.927 -10.040 78 H GLN 8 HN GLN 8 -2.457 -0.580 -9.458 79 HA GLN 8 HA GLN 8 0.394 -1.297 -9.176 80 HB2 GLN 8 HB2 GLN 8 -0.584 0.725 -10.775 81 HB3 GLN 8 HB1 GLN 8 -0.242 1.562 -9.261 82 HG2 GLN 8 HG2 GLN 8 2.036 0.623 -9.254 83 HG3 GLN 8 HG1 GLN 8 1.704 -0.171 -10.794 84 HE21 GLN 8 HE21 GLN 8 3.748 1.929 -10.345 85 HE22 GLN 8 HE22 GLN 8 3.313 3.235 -11.338 86 H CYS 9 HN CYS 9 1.237 -1.010 -7.218 87 HA CYS 9 HA CYS 9 -0.505 0.123 -5.136 88 HB2 CYS 9 HB2 CYS 9 -0.044 -2.382 -5.296 89 HB3 CYS 9 HB1 CYS 9 1.583 -2.003 -4.735 90 H SER 10 HN SER 10 0.205 1.991 -4.400 91 HA SER 10 HA SER 10 3.119 2.407 -4.078 92 HB2 SER 10 HB2 SER 10 2.763 4.771 -4.520 93 HB3 SER 10 HB1 SER 10 2.095 3.837 -5.856 94 HG SER 10 HG SER 10 0.093 4.294 -5.190 95 H CYS 11 HN CYS 11 3.758 3.633 -2.213 96 HA CYS 11 HA CYS 11 1.675 3.891 -0.138 97 HB2 CYS 11 HB2 CYS 11 4.436 2.801 0.402 98 HB3 CYS 11 HB1 CYS 11 3.041 2.811 1.483 99 H ARG 12 HN ARG 12 2.054 5.500 1.469 100 HA ARG 12 HA ARG 12 4.410 7.228 1.059 101 HB2 ARG 12 HB2 ARG 12 2.994 8.555 -0.135 102 HB3 ARG 12 HB1 ARG 12 1.551 7.958 0.683 103 HG2 ARG 12 HG2 ARG 12 2.003 9.296 2.608 104 HG3 ARG 12 HG1 ARG 12 3.617 9.683 2.029 105 HD2 ARG 12 HD2 ARG 12 1.132 10.432 0.510 106 HD3 ARG 12 HD1 ARG 12 1.857 11.494 1.715 107 HE ARG 12 HE ARG 12 3.894 10.738 -0.041 108 HH11 ARG 12 HH11 ARG 12 0.876 12.414 -0.074 109 HH12 ARG 12 HH12 ARG 12 1.319 13.480 -1.365 110 HH21 ARG 12 HH21 ARG 12 4.498 12.138 -1.725 111 HH22 ARG 12 HH22 ARG 12 3.373 13.324 -2.301 112 H ARG 13 HN ARG 13 4.928 8.537 2.869 113 HA ARG 13 HA ARG 13 4.448 7.241 5.356 114 HB2 ARG 13 HB2 ARG 13 6.494 8.522 4.801 115 HB3 ARG 13 HB1 ARG 13 5.543 9.988 4.957 116 HG2 ARG 13 HG2 ARG 13 5.766 9.942 7.206 117 HG3 ARG 13 HG1 ARG 13 5.071 8.331 7.254 118 HD2 ARG 13 HD2 ARG 13 7.166 7.282 6.962 119 HD3 ARG 13 HD1 ARG 13 7.960 8.799 6.527 120 HE ARG 13 HE ARG 13 7.299 7.884 9.209 121 HH11 ARG 13 HH11 ARG 13 8.157 10.512 7.123 122 HH12 ARG 13 HH12 ARG 13 8.812 11.486 8.397 123 HH21 ARG 13 HH21 ARG 13 8.171 9.149 10.876 124 HH22 ARG 13 HH22 ARG 13 8.819 10.715 10.520 125 H VAL 14 HN VAL 14 3.312 7.820 7.065 126 HA VAL 14 HA VAL 14 1.848 10.191 7.498 127 HB VAL 14 HB VAL 14 0.607 9.307 5.524 128 HG11 VAL 14 HG11 VAL 14 0.891 6.862 6.912 129 HG12 VAL 14 HG12 VAL 14 -0.834 7.234 6.900 130 HG13 VAL 14 HG13 VAL 14 0.056 7.152 5.390 131 HG21 VAL 14 HG21 VAL 14 -0.536 9.942 8.146 132 HG22 VAL 14 HG22 VAL 14 -0.957 10.569 6.554 133 HG23 VAL 14 HG23 VAL 14 -1.631 9.036 7.100 134 H CYS 15 HN CYS 15 3.284 9.046 9.325 135 HA CYS 15 HA CYS 15 3.033 8.538 11.582 136 HB2 CYS 15 HB2 CYS 15 1.040 7.957 12.593 137 HB3 CYS 15 HB1 CYS 15 0.403 8.707 11.142 138 H ARG 16 HN ARG 16 2.991 6.683 8.881 139 HA ARG 16 HA ARG 16 4.713 4.706 9.808 140 HB2 ARG 16 HB2 ARG 16 2.075 4.225 10.630 141 HB3 ARG 16 HB1 ARG 16 2.362 3.183 9.232 142 HG2 ARG 16 HG2 ARG 16 3.042 1.880 11.129 143 HG3 ARG 16 HG1 ARG 16 4.534 2.440 10.380 144 HD2 ARG 16 HD2 ARG 16 4.731 4.228 12.043 145 HD3 ARG 16 HD1 ARG 16 3.183 3.770 12.751 146 HE ARG 16 HE ARG 16 4.865 1.522 12.784 147 HH11 ARG 16 HH11 ARG 16 4.592 4.691 14.166 148 HH12 ARG 16 HH12 ARG 16 5.442 4.276 15.617 149 HH21 ARG 16 HH21 ARG 16 6.012 0.995 14.669 150 HH22 ARG 16 HH22 ARG 16 6.245 2.191 15.901 151 H ASN 17 HN ASN 17 2.064 5.281 7.717 152 HA ASN 17 HA ASN 17 3.316 5.247 5.277 153 HB2 ASN 17 HB2 ASN 17 2.953 2.575 6.422 154 HB3 ASN 17 HB1 ASN 17 2.296 2.761 4.807 155 HD21 ASN 17 HD21 ASN 17 3.982 4.204 3.358 156 HD22 ASN 17 HD22 ASN 17 5.581 3.638 3.438 157 H THR 18 HN THR 18 1.813 5.198 3.486 158 HA THR 18 HA THR 18 -1.065 5.279 4.223 159 HB THR 18 HB THR 18 -0.424 6.608 1.704 160 HG1 THR 18 HG1 THR 18 1.333 7.458 2.637 161 HG21 THR 18 HG21 THR 18 -1.922 7.446 4.195 162 HG22 THR 18 HG22 THR 18 -1.908 8.332 2.673 163 HG23 THR 18 HG23 THR 18 -2.610 6.713 2.745 164 H CYS 19 HN CYS 19 -2.516 4.528 2.626 165 HA CYS 19 HA CYS 19 -1.277 2.543 0.824 166 HB2 CYS 19 HB2 CYS 19 -2.818 1.825 2.705 167 HB3 CYS 19 HB1 CYS 19 -4.114 2.663 1.872 168 H SER 20 HN SER 20 -1.171 3.267 -1.178 169 HA SER 20 HA SER 20 -3.562 4.474 -2.379 170 HB2 SER 20 HB2 SER 20 -2.099 6.042 -3.636 171 HB3 SER 20 HB1 SER 20 -2.122 6.358 -1.903 172 HG SER 20 HG SER 20 -0.034 5.887 -3.417 173 H CYS 21 HN CYS 21 -4.149 2.980 -3.797 174 HA CYS 21 HA CYS 21 -2.072 1.893 -5.588 175 HB2 CYS 21 HB2 CYS 21 -4.568 0.509 -4.613 176 HB3 CYS 21 HB1 CYS 21 -3.391 -0.178 -5.723 177 H ILE 22 HN ILE 22 -2.360 2.339 -7.655 178 HA ILE 22 HA ILE 22 -5.009 2.825 -8.774 179 HB ILE 22 HB ILE 22 -4.058 5.124 -9.662 180 HG12 ILE 22 HG12 ILE 22 -2.772 6.308 -7.945 181 HG13 ILE 22 HG11 ILE 22 -2.715 4.844 -6.965 182 HG21 ILE 22 HG21 ILE 22 -5.082 5.031 -6.817 183 HG22 ILE 22 HG22 ILE 22 -5.368 6.273 -8.033 184 HG23 ILE 22 HG23 ILE 22 -6.130 4.696 -8.198 185 HD11 ILE 22 HD11 ILE 22 -0.683 5.395 -8.498 186 HD12 ILE 22 HD12 ILE 22 -1.291 3.740 -8.470 187 HD13 ILE 22 HD13 ILE 22 -1.715 4.818 -9.805 188 H ARG 23 HN ARG 23 -4.881 3.420 -11.131 189 HA ARG 23 HA ARG 23 -2.710 1.879 -12.354 190 HB2 ARG 23 HB2 ARG 23 -4.086 1.942 -14.391 191 HB3 ARG 23 HB1 ARG 23 -5.005 1.323 -13.021 192 HG2 ARG 23 HG2 ARG 23 -5.950 3.603 -12.670 193 HG3 ARG 23 HG1 ARG 23 -5.099 4.149 -14.116 194 HD2 ARG 23 HD2 ARG 23 -7.386 3.581 -14.721 195 HD3 ARG 23 HD1 ARG 23 -6.293 2.397 -15.431 196 HE ARG 23 HE ARG 23 -7.207 0.775 -14.028 197 HH11 ARG 23 HH11 ARG 23 -8.136 3.966 -13.064 198 HH12 ARG 23 HH12 ARG 23 -9.306 3.426 -11.908 199 HH21 ARG 23 HH21 ARG 23 -8.739 0.058 -12.512 200 HH22 ARG 23 HH22 ARG 23 -9.647 1.212 -11.595 201 H LEU 24 HN LEU 24 -2.890 4.874 -11.362 202 HA LEU 24 HA LEU 24 -2.310 6.433 -13.693 203 HB2 LEU 24 HB2 LEU 24 -1.719 6.967 -10.777 204 HB3 LEU 24 HB1 LEU 24 -1.551 8.155 -12.068 205 HG LEU 24 HG LEU 24 -4.132 6.716 -11.371 206 HD11 LEU 24 HD11 LEU 24 -3.712 9.656 -10.992 207 HD12 LEU 24 HD12 LEU 24 -4.792 8.561 -10.132 208 HD13 LEU 24 HD13 LEU 24 -3.067 8.558 -9.773 209 HD21 LEU 24 HD21 LEU 24 -3.292 8.596 -13.526 210 HD22 LEU 24 HD22 LEU 24 -4.523 7.335 -13.550 211 HD23 LEU 24 HD23 LEU 24 -4.867 8.890 -12.792 212 H SER 25 HN SER 25 -0.248 7.500 -14.145 213 HA SER 25 HA SER 25 1.856 5.675 -14.490 214 HB2 SER 25 HB2 SER 25 1.860 8.700 -14.536 215 HB3 SER 25 HB1 SER 25 3.210 7.701 -15.065 216 HG SER 25 HG SER 25 2.096 7.928 -16.887 217 H ARG 26 HN ARG 26 1.419 8.246 -12.070 218 HA ARG 26 HA ARG 26 2.839 6.863 -10.055 219 HB2 ARG 26 HB2 ARG 26 4.849 8.279 -9.902 220 HB3 ARG 26 HB1 ARG 26 4.815 7.384 -11.418 221 HG2 ARG 26 HG2 ARG 26 3.847 9.389 -12.541 222 HG3 ARG 26 HG1 ARG 26 4.008 10.278 -11.025 223 HD2 ARG 26 HD2 ARG 26 6.442 9.866 -11.043 224 HD3 ARG 26 HD1 ARG 26 6.281 8.986 -12.561 225 HE ARG 26 HE ARG 26 6.204 11.866 -12.212 226 HH11 ARG 26 HH11 ARG 26 5.385 9.129 -14.165 227 HH12 ARG 26 HH12 ARG 26 5.292 10.034 -15.639 228 HH21 ARG 26 HH21 ARG 26 6.082 13.060 -14.142 229 HH22 ARG 26 HH22 ARG 26 5.687 12.260 -15.626 230 H SER 27 HN SER 27 0.488 8.678 -10.722 231 HA SER 27 HA SER 27 0.929 10.928 -8.910 232 HB2 SER 27 HB2 SER 27 -0.338 11.419 -10.901 233 HB3 SER 27 HB1 SER 27 -1.440 10.080 -10.591 234 HG SER 27 HG SER 27 -2.440 11.880 -9.821 235 H THR 28 HN THR 28 0.746 10.640 -6.820 236 HA THR 28 HA THR 28 -1.532 9.122 -5.778 237 HB THR 28 HB THR 28 -0.252 7.691 -4.433 238 HG1 THR 28 HG1 THR 28 1.659 9.660 -4.800 239 HG21 THR 28 HG21 THR 28 1.209 6.519 -5.960 240 HG22 THR 28 HG22 THR 28 -0.149 7.155 -6.885 241 HG23 THR 28 HG23 THR 28 1.414 7.970 -6.942 242 H TYR 29 HN TYR 29 -2.494 10.830 -4.813 243 HA TYR 29 HA TYR 29 -2.880 12.542 -3.323 244 HB2 TYR 29 HB2 TYR 29 -0.818 10.848 -1.974 245 HB3 TYR 29 HB1 TYR 29 -1.190 12.425 -1.279 246 HD1 TYR 29 HD1 TYR 29 -3.677 10.453 -3.186 247 HD2 TYR 29 HD2 TYR 29 -2.247 11.548 0.716 248 HE1 TYR 29 HE1 TYR 29 -5.730 9.514 -2.167 249 HE2 TYR 29 HE2 TYR 29 -4.308 10.614 1.734 250 HH TYR 29 HH TYR 29 -6.746 10.187 0.883 251 H ALA 30 HN ALA 30 -2.538 14.542 -3.726 252 HA ALA 30 HA ALA 30 -0.275 15.411 -5.056 253 HB1 ALA 30 HB1 ALA 30 -1.394 17.367 -5.280 254 HB2 ALA 30 HB2 ALA 30 -2.730 16.491 -4.532 255 HB3 ALA 30 HB3 ALA 30 -1.676 17.503 -3.544 256 H SER 31 HN SER 31 1.603 16.425 -4.419 257 HA SER 31 HA SER 31 2.579 15.870 -1.813 258 HB2 SER 31 HB2 SER 31 3.965 16.116 -3.911 259 HB3 SER 31 HB1 SER 31 3.730 17.857 -3.777 260 HG SER 31 HG SER 31 4.462 17.281 -1.439 261 H LEU 41 HN LEU 41 9.679 6.306 -2.524 262 HA LEU 41 HA LEU 41 10.160 3.686 -1.662 263 HB2 LEU 41 HB2 LEU 41 9.673 6.224 -0.450 264 HB3 LEU 41 HB1 LEU 41 8.648 5.028 0.343 265 HG LEU 41 HG LEU 41 10.642 3.558 0.628 266 HD11 LEU 41 HD11 LEU 41 12.695 5.507 0.302 267 HD12 LEU 41 HD12 LEU 41 12.498 3.986 -0.569 268 HD13 LEU 41 HD13 LEU 41 11.766 5.464 -1.196 269 HD21 LEU 41 HD21 LEU 41 11.129 6.334 1.740 270 HD22 LEU 41 HD22 LEU 41 9.881 5.252 2.358 271 HD23 LEU 41 HD23 LEU 41 11.580 4.795 2.470 272 H ARG 42 HN ARG 42 8.910 1.975 -2.022 273 HA ARG 42 HA ARG 42 6.005 2.223 -1.536 274 HB2 ARG 42 HB2 ARG 42 7.374 0.763 -3.806 275 HB3 ARG 42 HB1 ARG 42 5.664 0.598 -3.405 276 HG2 ARG 42 HG2 ARG 42 5.460 3.110 -3.646 277 HG3 ARG 42 HG1 ARG 42 7.105 3.115 -4.280 278 HD2 ARG 42 HD2 ARG 42 4.813 1.513 -5.448 279 HD3 ARG 42 HD1 ARG 42 5.389 3.050 -6.086 280 HE ARG 42 HE ARG 42 6.732 0.469 -6.291 281 HH11 ARG 42 HH11 ARG 42 6.883 3.920 -6.569 282 HH12 ARG 42 HH12 ARG 42 8.255 3.910 -7.627 283 HH21 ARG 42 HH21 ARG 42 8.529 0.455 -7.676 284 HH22 ARG 42 HH22 ARG 42 9.186 1.950 -8.253 285 H VAL 43 HN VAL 43 5.049 0.499 -0.503 286 HA VAL 43 HA VAL 43 6.683 -1.127 1.130 287 HB VAL 43 HB VAL 43 4.253 -0.367 1.518 288 HG11 VAL 43 HG11 VAL 43 3.664 -1.499 -0.771 289 HG12 VAL 43 HG12 VAL 43 3.538 -2.965 0.200 290 HG13 VAL 43 HG13 VAL 43 2.510 -1.578 0.561 291 HG21 VAL 43 HG21 VAL 43 3.796 -2.286 2.946 292 HG22 VAL 43 HG22 VAL 43 4.913 -3.287 2.013 293 HG23 VAL 43 HG23 VAL 43 5.527 -1.950 2.986 294 H ARG 44 HN ARG 44 5.620 -1.454 -2.079 295 HA ARG 44 HA ARG 44 7.138 -3.754 -2.609 296 HB2 ARG 44 HB2 ARG 44 4.558 -4.285 -1.481 297 HB3 ARG 44 HB1 ARG 44 4.588 -4.862 -3.145 298 HG2 ARG 44 HG2 ARG 44 6.791 -5.503 -1.179 299 HG3 ARG 44 HG1 ARG 44 5.355 -6.508 -1.349 300 HD2 ARG 44 HD2 ARG 44 5.831 -6.790 -3.758 301 HD3 ARG 44 HD1 ARG 44 7.285 -5.816 -3.587 302 HE ARG 44 HE ARG 44 6.920 -8.558 -2.688 303 HH11 ARG 44 HH11 ARG 44 8.719 -5.608 -2.517 304 HH12 ARG 44 HH12 ARG 44 10.167 -6.361 -1.938 305 HH21 ARG 44 HH21 ARG 44 8.818 -9.555 -1.925 306 HH22 ARG 44 HH22 ARG 44 10.223 -8.594 -1.603 307 H ARG 45 HN ARG 45 5.766 -4.885 -4.729 308 HA ARG 45 HA ARG 45 5.932 -2.731 -6.664 309 HB2 ARG 45 HB2 ARG 45 5.745 -5.713 -6.974 310 HB3 ARG 45 HB1 ARG 45 5.762 -4.596 -8.336 311 HG2 ARG 45 HG2 ARG 45 7.927 -3.730 -7.667 312 HG3 ARG 45 HG1 ARG 45 7.895 -4.683 -6.184 313 HD2 ARG 45 HD2 ARG 45 7.838 -5.873 -8.968 314 HD3 ARG 45 HD1 ARG 45 9.298 -5.699 -8.000 315 HE ARG 45 HE ARG 45 7.418 -7.069 -6.439 316 HH11 ARG 45 HH11 ARG 45 9.205 -7.438 -9.378 317 HH12 ARG 45 HH12 ARG 45 9.279 -9.166 -9.281 318 HH21 ARG 45 HH21 ARG 45 7.503 -9.336 -6.306 319 HH22 ARG 45 HH22 ARG 45 8.314 -10.241 -7.541 320 H THR 46 HN THR 46 4.033 -5.092 -7.929 321 HA THR 46 HA THR 46 1.606 -3.407 -7.721 322 HB THR 46 HB THR 46 0.994 -4.682 -9.864 323 HG1 THR 46 HG1 THR 46 3.727 -5.054 -10.185 324 HG21 THR 46 HG21 THR 46 3.190 -3.285 -10.919 325 HG22 THR 46 HG22 THR 46 1.560 -2.656 -10.678 326 HG23 THR 46 HG23 THR 46 2.788 -2.437 -9.428 327 H LEU 47 HN LEU 47 2.421 -6.777 -8.380 328 HA LEU 47 HA LEU 47 0.938 -8.628 -8.167 329 HB2 LEU 47 HB2 LEU 47 1.257 -9.255 -5.668 330 HB3 LEU 47 HB1 LEU 47 2.662 -9.123 -6.728 331 HG LEU 47 HG LEU 47 1.864 -6.593 -5.428 332 HD11 LEU 47 HD11 LEU 47 2.658 -8.993 -3.844 333 HD12 LEU 47 HD12 LEU 47 3.064 -7.362 -3.307 334 HD13 LEU 47 HD13 LEU 47 1.390 -7.806 -3.554 335 HD21 LEU 47 HD21 LEU 47 3.986 -7.205 -6.815 336 HD22 LEU 47 HD22 LEU 47 4.192 -6.251 -5.345 337 HD23 LEU 47 HD23 LEU 47 4.533 -7.982 -5.329 338 H GLN 48 HN GLN 48 0.283 -7.613 -4.914 339 HA GLN 48 HA GLN 48 -2.532 -7.117 -5.563 340 HB2 GLN 48 HB2 GLN 48 -1.619 -9.487 -4.322 341 HB3 GLN 48 HB1 GLN 48 -2.310 -8.489 -3.041 342 HG2 GLN 48 HG2 GLN 48 -4.345 -8.172 -4.417 343 HG3 GLN 48 HG1 GLN 48 -3.667 -9.252 -5.634 344 HE21 GLN 48 HE21 GLN 48 -6.069 -10.073 -4.522 345 HE22 GLN 48 HE22 GLN 48 -5.811 -11.353 -3.437 346 H CYS 49 HN CYS 49 -3.448 -5.611 -4.304 347 HA CYS 49 HA CYS 49 -1.658 -4.174 -2.450 348 HB2 CYS 49 HB2 CYS 49 -2.083 -2.865 -4.325 349 HB3 CYS 49 HB1 CYS 49 -3.786 -3.331 -4.347 350 H SER 50 HN SER 50 -2.310 -3.652 -0.486 351 HA SER 50 HA SER 50 -5.118 -3.807 0.177 352 HB2 SER 50 HB2 SER 50 -4.802 -5.344 2.047 353 HB3 SER 50 HB1 SER 50 -4.267 -6.115 0.556 354 HG SER 50 HG SER 50 -2.762 -5.061 2.690 355 H CYS 51 HN CYS 51 -5.565 -2.905 2.339 356 HA CYS 51 HA CYS 51 -3.406 -1.111 3.293 357 HB2 CYS 51 HB2 CYS 51 -6.325 -0.362 3.308 358 HB3 CYS 51 HB1 CYS 51 -4.919 0.690 3.465 359 H ARG 52 HN ARG 52 -3.434 -0.617 5.529 360 HA ARG 52 HA ARG 52 -5.295 -2.136 7.237 361 HB2 ARG 52 HB2 ARG 52 -3.175 -2.682 8.677 362 HB3 ARG 52 HB1 ARG 52 -3.591 -3.713 7.308 363 HG2 ARG 52 HG2 ARG 52 -1.836 -3.001 6.063 364 HG3 ARG 52 HG1 ARG 52 -1.915 -1.366 6.694 365 HD2 ARG 52 HD2 ARG 52 -0.851 -2.070 8.774 366 HD3 ARG 52 HD1 ARG 52 -0.882 -3.751 8.251 367 HE ARG 52 HE ARG 52 0.515 -2.244 6.323 368 HH11 ARG 52 HH11 ARG 52 0.757 -3.290 9.614 369 HH12 ARG 52 HH12 ARG 52 2.488 -3.321 9.622 370 HH21 ARG 52 HH21 ARG 52 2.787 -2.281 6.327 371 HH22 ARG 52 HH22 ARG 52 3.638 -2.750 7.761 372 H ARG 53 HN ARG 53 -5.089 -1.489 9.530 373 HA ARG 53 HA ARG 53 -4.680 1.413 9.666 374 HB2 ARG 53 HB2 ARG 53 -6.899 0.489 10.284 375 HB3 ARG 53 HB1 ARG 53 -6.128 -0.388 11.591 376 HG2 ARG 53 HG2 ARG 53 -5.484 2.457 11.559 377 HG3 ARG 53 HG1 ARG 53 -7.181 2.113 11.838 378 HD2 ARG 53 HD2 ARG 53 -5.014 0.646 13.329 379 HD3 ARG 53 HD1 ARG 53 -5.644 2.174 13.880 380 HE ARG 53 HE ARG 53 -7.859 0.572 13.433 381 HH11 ARG 53 HH11 ARG 53 -4.986 0.539 15.367 382 HH12 ARG 53 HH12 ARG 53 -5.707 -0.346 16.670 383 HH21 ARG 53 HH21 ARG 53 -8.814 -0.572 15.148 384 HH22 ARG 53 HH22 ARG 53 -7.873 -0.975 16.545 385 H VAL 54 HN VAL 54 -3.795 2.342 11.588 386 HA VAL 54 HA VAL 54 -2.396 0.892 13.534 387 HB VAL 54 HB VAL 54 -0.903 0.339 11.741 388 HG11 VAL 54 HG11 VAL 54 -1.104 3.285 11.159 389 HG12 VAL 54 HG12 VAL 54 0.390 2.436 10.786 390 HG13 VAL 54 HG13 VAL 54 -1.129 1.905 10.064 391 HG21 VAL 54 HG21 VAL 54 0.979 0.725 12.961 392 HG22 VAL 54 HG22 VAL 54 0.696 2.466 13.036 393 HG23 VAL 54 HG23 VAL 54 -0.161 1.384 14.135 394 H CYS 55 HN CYS 55 -2.879 3.789 11.839 395 HA CYS 55 HA CYS 55 -3.346 5.351 14.078 396 HB2 CYS 55 HB2 CYS 55 -1.221 6.828 13.849 397 HB3 CYS 55 HB1 CYS 55 -1.141 5.350 14.786 398 H ARG 56 HN ARG 56 -2.937 4.857 10.857 399 HA ARG 56 HA ARG 56 -4.556 7.014 10.058 400 HB2 ARG 56 HB2 ARG 56 -1.984 7.853 10.653 401 HB3 ARG 56 HB1 ARG 56 -1.916 7.540 8.921 402 HG2 ARG 56 HG2 ARG 56 -2.655 9.790 9.018 403 HG3 ARG 56 HG1 ARG 56 -4.159 8.900 8.824 404 HD2 ARG 56 HD2 ARG 56 -4.590 9.035 11.219 405 HD3 ARG 56 HD1 ARG 56 -3.013 9.766 11.498 406 HE ARG 56 HE ARG 56 -4.438 11.374 9.667 407 HH11 ARG 56 HH11 ARG 56 -4.469 10.350 12.976 408 HH12 ARG 56 HH12 ARG 56 -5.242 11.786 13.557 409 HH21 ARG 56 HH21 ARG 56 -5.469 13.255 10.427 410 HH22 ARG 56 HH22 ARG 56 -5.808 13.427 12.117 411 H ASN 57 HN ASN 57 -4.229 4.251 9.520 412 HA ASN 57 HA ASN 57 -4.450 2.829 7.732 413 HB2 ASN 57 HB2 ASN 57 -5.466 5.019 6.732 414 HB3 ASN 57 HB1 ASN 57 -3.958 5.082 5.842 415 HD21 ASN 57 HD21 ASN 57 -4.860 4.573 3.803 416 HD22 ASN 57 HD22 ASN 57 -5.519 3.051 3.442 417 H THR 58 HN THR 58 -2.982 1.570 6.920 418 HA THR 58 HA THR 58 -0.279 2.520 6.376 419 HB THR 58 HB THR 58 0.067 -0.164 6.888 420 HG1 THR 58 HG1 THR 58 -2.224 0.653 8.021 421 HG21 THR 58 HG21 THR 58 0.440 2.343 8.477 422 HG22 THR 58 HG22 THR 58 0.760 0.785 9.239 423 HG23 THR 58 HG23 THR 58 1.646 1.256 7.796 424 H CYS 59 HN CYS 59 0.988 1.065 4.958 425 HA CYS 59 HA CYS 59 -0.701 0.241 2.672 426 HB2 CYS 59 HB2 CYS 59 1.092 2.107 2.588 427 HB3 CYS 59 HB1 CYS 59 2.246 0.798 2.614 428 H SER 60 HN SER 60 -0.630 -1.796 1.977 429 HA SER 60 HA SER 60 1.700 -3.454 2.504 430 HB2 SER 60 HB2 SER 60 -1.055 -4.221 3.492 431 HB3 SER 60 HB1 SER 60 0.362 -5.268 3.495 432 HG SER 60 HG SER 60 1.116 -3.031 4.616 433 H CYS 61 HN CYS 61 2.146 -4.196 0.526 434 HA CYS 61 HA CYS 61 -0.093 -5.197 -1.125 435 HB2 CYS 61 HB2 CYS 61 2.491 -4.476 -2.408 436 HB3 CYS 61 HB1 CYS 61 0.885 -4.408 -3.079 437 H ILE 62 HN ILE 62 -0.048 -7.324 -1.429 438 HA ILE 62 HA ILE 62 2.496 -8.761 -1.516 439 HB ILE 62 HB ILE 62 1.341 -10.398 0.235 440 HG12 ILE 62 HG12 ILE 62 0.334 -9.091 2.057 441 HG13 ILE 62 HG11 ILE 62 0.438 -7.633 1.077 442 HG21 ILE 62 HG21 ILE 62 2.885 -7.928 1.078 443 HG22 ILE 62 HG22 ILE 62 2.800 -9.458 1.941 444 HG23 ILE 62 HG23 ILE 62 3.622 -9.376 0.388 445 HD11 ILE 62 HD11 ILE 62 -1.799 -9.019 1.129 446 HD12 ILE 62 HD12 ILE 62 -1.222 -8.349 -0.397 447 HD13 ILE 62 HD13 ILE 62 -0.956 -10.054 -0.023 448 H ARG 63 HN ARG 63 2.298 -10.898 -2.317 449 HA ARG 63 HA ARG 63 -0.192 -11.317 -3.819 450 HB2 ARG 63 HB2 ARG 63 1.028 -12.587 -5.347 451 HB3 ARG 63 HB1 ARG 63 2.193 -11.355 -4.861 452 HG2 ARG 63 HG2 ARG 63 2.879 -13.065 -3.021 453 HG3 ARG 63 HG1 ARG 63 2.054 -14.244 -4.042 454 HD2 ARG 63 HD2 ARG 63 4.359 -14.249 -4.707 455 HD3 ARG 63 HD1 ARG 63 3.462 -13.411 -5.971 456 HE ARG 63 HE ARG 63 4.416 -11.565 -4.017 457 HH11 ARG 63 HH11 ARG 63 5.381 -13.573 -6.661 458 HH12 ARG 63 HH12 ARG 63 6.720 -12.572 -7.113 459 HH21 ARG 63 HH21 ARG 63 6.165 -10.244 -4.603 460 HH22 ARG 63 HH22 ARG 63 7.164 -10.685 -5.947 461 H LEU 64 HN LEU 64 0.957 -12.127 -0.915 462 HA LEU 64 HA LEU 64 -0.436 -14.744 -0.917 463 HB2 LEU 64 HB2 LEU 64 2.118 -13.978 0.481 464 HB3 LEU 64 HB1 LEU 64 1.156 -15.363 0.984 465 HG LEU 64 HG LEU 64 2.162 -14.941 -1.840 466 HD11 LEU 64 HD11 LEU 64 3.915 -16.545 -1.328 467 HD12 LEU 64 HD12 LEU 64 4.019 -15.196 -0.197 468 HD13 LEU 64 HD13 LEU 64 3.309 -16.727 0.317 469 HD21 LEU 64 HD21 LEU 64 0.516 -16.992 -0.466 470 HD22 LEU 64 HD22 LEU 64 0.567 -16.543 -2.168 471 HD23 LEU 64 HD23 LEU 64 1.794 -17.619 -1.504 472 H SER 65 HN SER 65 -1.464 -15.341 1.071 473 HA SER 65 HA SER 65 -2.900 -13.208 2.280 474 HB2 SER 65 HB2 SER 65 -3.732 -15.566 1.990 475 HB3 SER 65 HB1 SER 65 -2.649 -16.046 3.294 476 HG SER 65 HG SER 65 -4.083 -13.856 3.966 477 H ARG 66 HN ARG 66 0.212 -13.736 2.648 478 HA ARG 66 HA ARG 66 0.703 -14.029 5.395 479 HB2 ARG 66 HB2 ARG 66 2.883 -12.969 4.894 480 HB3 ARG 66 HB1 ARG 66 2.467 -14.222 3.723 481 HG2 ARG 66 HG2 ARG 66 1.630 -12.487 2.171 482 HG3 ARG 66 HG1 ARG 66 2.068 -11.240 3.331 483 HD2 ARG 66 HD2 ARG 66 3.813 -11.513 1.606 484 HD3 ARG 66 HD1 ARG 66 4.422 -11.906 3.206 485 HE ARG 66 HE ARG 66 3.801 -13.827 1.056 486 HH11 ARG 66 HH11 ARG 66 5.031 -13.138 4.234 487 HH12 ARG 66 HH12 ARG 66 5.829 -14.665 4.391 488 HH21 ARG 66 HH21 ARG 66 4.857 -15.810 1.272 489 HH22 ARG 66 HH22 ARG 66 5.731 -16.173 2.722 490 H SER 67 HN SER 67 -0.376 -11.294 3.532 491 HA SER 67 HA SER 67 -0.954 -9.147 4.113 492 HB2 SER 67 HB2 SER 67 -1.323 -10.463 6.811 493 HB3 SER 67 HB1 SER 67 -1.970 -8.893 6.344 494 HG SER 67 HG SER 67 -3.592 -10.045 5.651 495 H THR 68 HN THR 68 1.881 -10.285 4.719 496 HA THR 68 HA THR 68 3.880 -9.464 5.474 497 HB THR 68 HB THR 68 2.459 -6.815 5.749 498 HG1 THR 68 HG1 THR 68 2.710 -6.568 3.591 499 HG21 THR 68 HG21 THR 68 4.588 -5.865 5.480 500 HG22 THR 68 HG22 THR 68 4.913 -7.270 6.496 501 HG23 THR 68 HG23 THR 68 5.256 -7.334 4.767 502 H TYR 69 HN TYR 69 1.701 -7.342 7.308 503 HA TYR 69 HA TYR 69 2.842 -8.457 9.801 504 HB2 TYR 69 HB2 TYR 69 3.450 -6.130 9.516 505 HB3 TYR 69 HB1 TYR 69 1.770 -5.690 9.206 506 HD1 TYR 69 HD1 TYR 69 3.980 -7.263 11.782 507 HD2 TYR 69 HD2 TYR 69 0.346 -5.114 10.991 508 HE1 TYR 69 HE1 TYR 69 3.600 -7.008 14.220 509 HE2 TYR 69 HE2 TYR 69 -0.036 -4.863 13.427 510 HH TYR 69 HH TYR 69 2.376 -5.518 15.741 511 H ALA 70 HN ALA 70 1.500 -9.481 11.130 512 HA ALA 70 HA ALA 70 -1.313 -8.739 11.264 513 HB1 ALA 70 HB1 ALA 70 -0.328 -11.355 10.175 514 HB2 ALA 70 HB2 ALA 70 -1.849 -11.290 11.065 515 HB3 ALA 70 HB3 ALA 70 -1.644 -10.333 9.599 516 H SER 71 HN SER 71 -2.384 -9.599 13.123 517 HA SER 71 HA SER 71 -0.674 -10.967 15.086 518 HB2 SER 71 HB2 SER 71 -0.649 -8.412 15.379 519 HB3 SER 71 HB1 SER 71 -2.330 -8.576 15.876 520 HG SER 71 HG SER 71 -0.210 -10.092 16.992 Start of MODEL 12 1 H LEU 1 HN LEU 1 -12.637 3.588 -3.809 2 HA LEU 1 HA LEU 1 -14.247 5.114 -1.934 3 HB2 LEU 1 HB2 LEU 1 -14.796 2.164 -2.350 4 HB3 LEU 1 HB1 LEU 1 -15.513 3.182 -1.103 5 HG LEU 1 HG LEU 1 -15.807 3.615 -4.093 6 HD11 LEU 1 HD11 LEU 1 -17.300 1.912 -3.849 7 HD12 LEU 1 HD12 LEU 1 -17.338 2.071 -2.092 8 HD13 LEU 1 HD13 LEU 1 -18.309 3.148 -3.096 9 HD21 LEU 1 HD21 LEU 1 -17.756 5.092 -3.005 10 HD22 LEU 1 HD22 LEU 1 -16.620 5.151 -1.657 11 HD23 LEU 1 HD23 LEU 1 -16.134 5.742 -3.245 12 H ARG 2 HN ARG 2 -12.366 2.126 -2.404 13 HA ARG 2 HA ARG 2 -10.833 2.807 0.025 14 HB2 ARG 2 HB2 ARG 2 -11.985 0.107 -0.694 15 HB3 ARG 2 HB1 ARG 2 -10.762 0.353 0.552 16 HG2 ARG 2 HG2 ARG 2 -12.280 1.904 1.733 17 HG3 ARG 2 HG1 ARG 2 -13.509 1.637 0.494 18 HD2 ARG 2 HD2 ARG 2 -13.553 -0.762 1.044 19 HD3 ARG 2 HD1 ARG 2 -12.318 -0.507 2.273 20 HE ARG 2 HE ARG 2 -14.488 1.219 2.796 21 HH11 ARG 2 HH11 ARG 2 -13.643 -2.136 2.751 22 HH12 ARG 2 HH12 ARG 2 -14.766 -2.578 3.994 23 HH21 ARG 2 HH21 ARG 2 -15.957 0.650 4.429 24 HH22 ARG 2 HH22 ARG 2 -16.076 -0.999 4.945 25 H VAL 3 HN VAL 3 -8.689 1.975 0.087 26 HA VAL 3 HA VAL 3 -7.567 1.578 -2.596 27 HB VAL 3 HB VAL 3 -5.367 1.923 -1.230 28 HG11 VAL 3 HG11 VAL 3 -5.899 4.460 -1.231 29 HG12 VAL 3 HG12 VAL 3 -6.013 3.596 -2.766 30 HG13 VAL 3 HG13 VAL 3 -7.476 3.984 -1.861 31 HG21 VAL 3 HG21 VAL 3 -6.556 1.675 0.987 32 HG22 VAL 3 HG22 VAL 3 -5.643 3.176 0.839 33 HG23 VAL 3 HG23 VAL 3 -7.395 3.187 0.643 34 H ARG 4 HN ARG 4 -7.504 -0.490 -3.180 35 HA ARG 4 HA ARG 4 -5.778 -2.362 -2.054 36 HB2 ARG 4 HB2 ARG 4 -7.017 -2.795 -0.168 37 HB3 ARG 4 HB1 ARG 4 -8.551 -2.429 -0.951 38 HG2 ARG 4 HG2 ARG 4 -8.625 -4.534 -2.036 39 HG3 ARG 4 HG1 ARG 4 -6.913 -4.837 -1.749 40 HD2 ARG 4 HD2 ARG 4 -7.287 -5.117 0.616 41 HD3 ARG 4 HD1 ARG 4 -8.958 -4.583 0.466 42 HE ARG 4 HE ARG 4 -9.519 -6.714 -0.290 43 HH11 ARG 4 HH11 ARG 4 -6.094 -6.224 -0.311 44 HH12 ARG 4 HH12 ARG 4 -5.721 -7.880 -0.655 45 HH21 ARG 4 HH21 ARG 4 -9.039 -8.883 -0.747 46 HH22 ARG 4 HH22 ARG 4 -7.390 -9.387 -0.902 47 H ARG 5 HN ARG 5 -5.473 -4.010 -3.429 48 HA ARG 5 HA ARG 5 -7.039 -5.517 -4.987 49 HB2 ARG 5 HB2 ARG 5 -7.028 -2.757 -6.102 50 HB3 ARG 5 HB1 ARG 5 -6.824 -4.046 -7.254 51 HG2 ARG 5 HG2 ARG 5 -9.001 -4.527 -5.320 52 HG3 ARG 5 HG1 ARG 5 -9.250 -3.173 -6.419 53 HD2 ARG 5 HD2 ARG 5 -10.106 -5.277 -7.382 54 HD3 ARG 5 HD1 ARG 5 -8.789 -4.622 -8.348 55 HE ARG 5 HE ARG 5 -7.848 -6.494 -6.385 56 HH11 ARG 5 HH11 ARG 5 -9.359 -6.138 -9.479 57 HH12 ARG 5 HH12 ARG 5 -8.815 -7.671 -10.075 58 HH21 ARG 5 HH21 ARG 5 -7.146 -8.512 -7.155 59 HH22 ARG 5 HH22 ARG 5 -7.564 -9.015 -8.759 60 H THR 6 HN THR 6 -5.464 -4.564 -7.586 61 HA THR 6 HA THR 6 -2.860 -5.697 -6.799 62 HB THR 6 HB THR 6 -2.904 -6.905 -9.003 63 HG1 THR 6 HG1 THR 6 -5.528 -5.886 -8.915 64 HG21 THR 6 HG21 THR 6 -4.183 -7.571 -6.546 65 HG22 THR 6 HG22 THR 6 -5.211 -8.159 -7.849 66 HG23 THR 6 HG23 THR 6 -3.530 -8.673 -7.758 67 H LEU 7 HN LEU 7 -4.494 -4.432 -9.657 68 HA LEU 7 HA LEU 7 -3.134 -3.447 -11.456 69 HB2 LEU 7 HB2 LEU 7 -3.727 -0.952 -10.908 70 HB3 LEU 7 HB1 LEU 7 -4.981 -2.133 -11.272 71 HG LEU 7 HG LEU 7 -4.263 -2.059 -8.408 72 HD11 LEU 7 HD11 LEU 7 -5.263 0.398 -9.827 73 HD12 LEU 7 HD12 LEU 7 -5.648 0.078 -8.140 74 HD13 LEU 7 HD13 LEU 7 -3.968 0.251 -8.632 75 HD21 LEU 7 HD21 LEU 7 -6.743 -1.966 -8.242 76 HD22 LEU 7 HD22 LEU 7 -6.853 -1.722 -9.978 77 HD23 LEU 7 HD23 LEU 7 -6.231 -3.246 -9.343 78 H GLN 8 HN GLN 8 -2.663 -0.848 -9.192 79 HA GLN 8 HA GLN 8 0.247 -1.279 -9.263 80 HB2 GLN 8 HB2 GLN 8 -1.049 0.655 -10.795 81 HB3 GLN 8 HB1 GLN 8 -0.515 1.529 -9.357 82 HG2 GLN 8 HG2 GLN 8 1.293 1.646 -10.912 83 HG3 GLN 8 HG1 GLN 8 1.761 0.470 -9.685 84 HE21 GLN 8 HE21 GLN 8 3.117 -0.821 -11.061 85 HE22 GLN 8 HE22 GLN 8 2.503 -1.710 -12.371 86 H CYS 9 HN CYS 9 1.215 -0.884 -7.398 87 HA CYS 9 HA CYS 9 -0.427 0.201 -5.220 88 HB2 CYS 9 HB2 CYS 9 -0.155 -2.069 -4.821 89 HB3 CYS 9 HB1 CYS 9 1.535 -2.056 -5.322 90 H SER 10 HN SER 10 0.206 1.912 -4.207 91 HA SER 10 HA SER 10 3.056 2.594 -4.077 92 HB2 SER 10 HB2 SER 10 2.574 4.923 -4.641 93 HB3 SER 10 HB1 SER 10 2.065 3.868 -5.957 94 HG SER 10 HG SER 10 0.461 5.413 -5.382 95 H CYS 11 HN CYS 11 3.615 3.892 -2.275 96 HA CYS 11 HA CYS 11 1.481 4.360 -0.298 97 HB2 CYS 11 HB2 CYS 11 4.147 3.314 0.577 98 HB3 CYS 11 HB1 CYS 11 2.588 3.205 1.393 99 H ARG 12 HN ARG 12 2.131 5.959 1.353 100 HA ARG 12 HA ARG 12 4.532 7.549 0.697 101 HB2 ARG 12 HB2 ARG 12 3.294 9.624 0.486 102 HB3 ARG 12 HB1 ARG 12 2.638 8.465 -0.670 103 HG2 ARG 12 HG2 ARG 12 0.871 7.878 1.025 104 HG3 ARG 12 HG1 ARG 12 1.466 9.200 2.028 105 HD2 ARG 12 HD2 ARG 12 1.000 10.804 0.240 106 HD3 ARG 12 HD1 ARG 12 0.443 9.499 -0.805 107 HE ARG 12 HE ARG 12 -1.549 9.433 0.409 108 HH11 ARG 12 HH11 ARG 12 0.854 11.351 1.999 109 HH12 ARG 12 HH12 ARG 12 -0.238 11.980 3.189 110 HH21 ARG 12 HH21 ARG 12 -2.982 10.243 1.973 111 HH22 ARG 12 HH22 ARG 12 -2.410 11.352 3.175 112 H ARG 13 HN ARG 13 5.313 8.770 2.434 113 HA ARG 13 HA ARG 13 4.786 7.855 5.035 114 HB2 ARG 13 HB2 ARG 13 6.880 8.899 4.447 115 HB3 ARG 13 HB1 ARG 13 6.047 10.435 4.233 116 HG2 ARG 13 HG2 ARG 13 5.582 10.661 6.518 117 HG3 ARG 13 HG1 ARG 13 5.780 8.936 6.822 118 HD2 ARG 13 HD2 ARG 13 8.151 9.074 6.516 119 HD3 ARG 13 HD1 ARG 13 8.047 10.749 5.975 120 HE ARG 13 HE ARG 13 7.837 11.402 8.204 121 HH11 ARG 13 HH11 ARG 13 7.460 7.982 7.848 122 HH12 ARG 13 HH12 ARG 13 7.524 7.660 9.548 123 HH21 ARG 13 HH21 ARG 13 7.956 10.986 10.431 124 HH22 ARG 13 HH22 ARG 13 7.807 9.362 11.012 125 H VAL 14 HN VAL 14 3.803 8.705 6.757 126 HA VAL 14 HA VAL 14 2.431 11.113 7.052 127 HB VAL 14 HB VAL 14 1.031 10.443 5.233 128 HG11 VAL 14 HG11 VAL 14 1.036 7.809 6.667 129 HG12 VAL 14 HG12 VAL 14 -0.313 8.240 5.627 130 HG13 VAL 14 HG13 VAL 14 1.309 8.161 4.973 131 HG21 VAL 14 HG21 VAL 14 -0.804 9.629 7.385 132 HG22 VAL 14 HG22 VAL 14 0.066 11.132 7.685 133 HG23 VAL 14 HG23 VAL 14 -0.931 10.965 6.239 134 H CYS 15 HN CYS 15 3.670 10.243 9.042 135 HA CYS 15 HA CYS 15 3.512 9.628 11.242 136 HB2 CYS 15 HB2 CYS 15 1.516 10.144 12.134 137 HB3 CYS 15 HB1 CYS 15 0.744 10.031 10.561 138 H ARG 16 HN ARG 16 2.785 7.628 8.675 139 HA ARG 16 HA ARG 16 4.083 5.375 9.614 140 HB2 ARG 16 HB2 ARG 16 1.417 5.684 10.710 141 HB3 ARG 16 HB1 ARG 16 1.512 4.256 9.691 142 HG2 ARG 16 HG2 ARG 16 2.805 3.131 11.197 143 HG3 ARG 16 HG1 ARG 16 3.828 4.525 11.509 144 HD2 ARG 16 HD2 ARG 16 2.411 5.372 13.163 145 HD3 ARG 16 HD1 ARG 16 1.034 4.443 12.607 146 HE ARG 16 HE ARG 16 1.828 2.610 13.820 147 HH11 ARG 16 HH11 ARG 16 4.168 5.153 13.615 148 HH12 ARG 16 HH12 ARG 16 5.233 4.454 14.788 149 HH21 ARG 16 HH21 ARG 16 3.227 1.691 15.366 150 HH22 ARG 16 HH22 ARG 16 4.702 2.500 15.777 151 H ASN 17 HN ASN 17 3.205 6.972 7.320 152 HA ASN 17 HA ASN 17 3.030 6.595 5.102 153 HB2 ASN 17 HB2 ASN 17 4.225 4.327 5.999 154 HB3 ASN 17 HB1 ASN 17 2.796 3.709 5.196 155 HD21 ASN 17 HD21 ASN 17 2.445 5.150 2.955 156 HD22 ASN 17 HD22 ASN 17 3.844 5.209 1.997 157 H THR 18 HN THR 18 1.526 6.218 3.574 158 HA THR 18 HA THR 18 -1.142 5.347 4.456 159 HB THR 18 HB THR 18 -1.377 6.900 2.079 160 HG1 THR 18 HG1 THR 18 0.681 7.742 3.163 161 HG21 THR 18 HG21 THR 18 -2.236 7.344 4.936 162 HG22 THR 18 HG22 THR 18 -2.752 8.360 3.598 163 HG23 THR 18 HG23 THR 18 -3.181 6.652 3.627 164 H CYS 19 HN CYS 19 -2.494 4.505 2.721 165 HA CYS 19 HA CYS 19 -0.914 2.888 0.813 166 HB2 CYS 19 HB2 CYS 19 -2.226 1.826 2.708 167 HB3 CYS 19 HB1 CYS 19 -3.677 2.347 1.885 168 H SER 20 HN SER 20 -1.214 3.241 -1.251 169 HA SER 20 HA SER 20 -3.814 4.147 -2.217 170 HB2 SER 20 HB2 SER 20 -1.218 5.560 -2.861 171 HB3 SER 20 HB1 SER 20 -2.782 5.903 -3.597 172 HG SER 20 HG SER 20 -3.518 6.664 -1.678 173 H CYS 21 HN CYS 21 -4.314 2.529 -3.552 174 HA CYS 21 HA CYS 21 -2.255 1.655 -5.475 175 HB2 CYS 21 HB2 CYS 21 -4.509 0.005 -4.301 176 HB3 CYS 21 HB1 CYS 21 -3.443 -0.534 -5.590 177 H ILE 22 HN ILE 22 -2.675 2.170 -7.464 178 HA ILE 22 HA ILE 22 -5.403 2.357 -8.489 179 HB ILE 22 HB ILE 22 -4.653 4.754 -9.377 180 HG12 ILE 22 HG12 ILE 22 -3.529 6.011 -7.587 181 HG13 ILE 22 HG11 ILE 22 -3.339 4.530 -6.653 182 HG21 ILE 22 HG21 ILE 22 -5.770 4.388 -6.584 183 HG22 ILE 22 HG22 ILE 22 -6.046 5.746 -7.667 184 HG23 ILE 22 HG23 ILE 22 -6.723 4.165 -8.053 185 HD11 ILE 22 HD11 ILE 22 -1.377 5.384 -8.199 186 HD12 ILE 22 HD12 ILE 22 -1.743 3.659 -8.110 187 HD13 ILE 22 HD13 ILE 22 -2.327 4.618 -9.468 188 H ARG 23 HN ARG 23 -5.495 2.585 -10.785 189 HA ARG 23 HA ARG 23 -3.325 1.283 -12.119 190 HB2 ARG 23 HB2 ARG 23 -4.706 1.439 -14.113 191 HB3 ARG 23 HB1 ARG 23 -5.699 0.941 -12.743 192 HG2 ARG 23 HG2 ARG 23 -6.343 3.353 -12.425 193 HG3 ARG 23 HG1 ARG 23 -5.499 3.721 -13.931 194 HD2 ARG 23 HD2 ARG 23 -7.851 3.401 -14.431 195 HD3 ARG 23 HD1 ARG 23 -6.949 2.039 -15.090 196 HE ARG 23 HE ARG 23 -8.014 0.648 -13.553 197 HH11 ARG 23 HH11 ARG 23 -8.464 3.987 -12.766 198 HH12 ARG 23 HH12 ARG 23 -9.638 3.680 -11.530 199 HH21 ARG 23 HH21 ARG 23 -9.546 0.236 -11.928 200 HH22 ARG 23 HH22 ARG 23 -10.251 1.556 -11.056 201 H LEU 24 HN LEU 24 -3.734 4.411 -11.197 202 HA LEU 24 HA LEU 24 -2.490 5.641 -13.537 203 HB2 LEU 24 HB2 LEU 24 -3.293 6.844 -10.879 204 HB3 LEU 24 HB1 LEU 24 -2.745 7.746 -12.290 205 HG LEU 24 HG LEU 24 -5.194 5.955 -12.207 206 HD11 LEU 24 HD11 LEU 24 -6.219 7.731 -11.275 207 HD12 LEU 24 HD12 LEU 24 -4.761 8.713 -11.426 208 HD13 LEU 24 HD13 LEU 24 -5.902 8.615 -12.767 209 HD21 LEU 24 HD21 LEU 24 -5.551 7.453 -14.388 210 HD22 LEU 24 HD22 LEU 24 -3.789 7.496 -14.355 211 HD23 LEU 24 HD23 LEU 24 -4.631 5.950 -14.454 212 H SER 25 HN SER 25 -0.624 7.143 -13.175 213 HA SER 25 HA SER 25 1.180 6.427 -11.006 214 HB2 SER 25 HB2 SER 25 1.636 4.690 -12.705 215 HB3 SER 25 HB1 SER 25 1.957 5.950 -13.895 216 HG SER 25 HG SER 25 3.341 5.498 -11.453 217 H ARG 26 HN ARG 26 0.305 8.777 -10.908 218 HA ARG 26 HA ARG 26 2.405 10.483 -12.022 219 HB2 ARG 26 HB2 ARG 26 0.700 12.202 -12.653 220 HB3 ARG 26 HB1 ARG 26 0.629 10.739 -13.636 221 HG2 ARG 26 HG2 ARG 26 -1.211 9.879 -12.256 222 HG3 ARG 26 HG1 ARG 26 -1.129 11.311 -11.230 223 HD2 ARG 26 HD2 ARG 26 -1.721 12.742 -13.115 224 HD3 ARG 26 HD1 ARG 26 -1.696 11.361 -14.207 225 HE ARG 26 HE ARG 26 -3.512 10.801 -12.136 226 HH11 ARG 26 HH11 ARG 26 -3.059 12.987 -14.777 227 HH12 ARG 26 HH12 ARG 26 -4.752 13.204 -15.070 228 HH21 ARG 26 HH21 ARG 26 -5.737 11.066 -12.524 229 HH22 ARG 26 HH22 ARG 26 -6.269 12.115 -13.795 230 H SER 27 HN SER 27 2.458 9.689 -9.488 231 HA SER 27 HA SER 27 2.379 10.368 -7.283 232 HB2 SER 27 HB2 SER 27 2.512 13.117 -7.391 233 HB3 SER 27 HB1 SER 27 3.896 12.029 -7.465 234 HG SER 27 HG SER 27 2.386 13.001 -9.670 235 H THR 28 HN THR 28 0.344 9.758 -6.725 236 HA THR 28 HA THR 28 -2.031 11.151 -7.281 237 HB THR 28 HB THR 28 -2.954 9.890 -5.363 238 HG1 THR 28 HG1 THR 28 -0.214 9.415 -4.965 239 HG21 THR 28 HG21 THR 28 -1.725 7.615 -6.309 240 HG22 THR 28 HG22 THR 28 -3.108 8.410 -7.062 241 HG23 THR 28 HG23 THR 28 -1.474 8.764 -7.624 242 H TYR 29 HN TYR 29 0.422 11.609 -4.810 243 HA TYR 29 HA TYR 29 -0.959 14.076 -4.023 244 HB2 TYR 29 HB2 TYR 29 -1.349 12.328 -2.279 245 HB3 TYR 29 HB1 TYR 29 0.392 12.235 -2.047 246 HD1 TYR 29 HD1 TYR 29 -0.623 12.735 0.323 247 HD2 TYR 29 HD2 TYR 29 -0.371 15.697 -2.782 248 HE1 TYR 29 HE1 TYR 29 -0.763 14.537 2.013 249 HE2 TYR 29 HE2 TYR 29 -0.496 17.471 -1.098 250 HH TYR 29 HH TYR 29 -1.522 17.025 1.987 251 H ALA 30 HN ALA 30 1.387 13.881 -1.885 252 HA ALA 30 HA ALA 30 3.817 14.100 -3.198 253 HB1 ALA 30 HB1 ALA 30 3.848 16.768 -2.751 254 HB2 ALA 30 HB2 ALA 30 3.472 16.057 -4.320 255 HB3 ALA 30 HB3 ALA 30 2.168 16.560 -3.245 256 H SER 31 HN SER 31 5.525 15.038 -1.802 257 HA SER 31 HA SER 31 4.716 15.368 1.007 258 HB2 SER 31 HB2 SER 31 6.540 13.254 -0.094 259 HB3 SER 31 HB1 SER 31 6.784 13.873 1.537 260 HG SER 31 HG SER 31 4.170 13.351 1.010 261 H LEU 41 HN LEU 41 9.951 4.641 -1.410 262 HA LEU 41 HA LEU 41 8.000 5.862 -1.322 263 HB2 LEU 41 HB2 LEU 41 8.552 5.596 -4.261 264 HB3 LEU 41 HB1 LEU 41 7.087 6.407 -3.716 265 HG LEU 41 HG LEU 41 9.817 7.138 -2.632 266 HD11 LEU 41 HD11 LEU 41 9.439 9.137 -4.309 267 HD12 LEU 41 HD12 LEU 41 10.170 7.636 -4.881 268 HD13 LEU 41 HD13 LEU 41 8.462 7.956 -5.182 269 HD21 LEU 41 HD21 LEU 41 7.170 7.916 -1.986 270 HD22 LEU 41 HD22 LEU 41 8.664 8.671 -1.436 271 HD23 LEU 41 HD23 LEU 41 7.863 9.262 -2.889 272 H ARG 42 HN ARG 42 8.027 2.700 -2.052 273 HA ARG 42 HA ARG 42 5.161 2.465 -1.669 274 HB2 ARG 42 HB2 ARG 42 4.777 1.096 -3.656 275 HB3 ARG 42 HB1 ARG 42 5.363 2.695 -4.119 276 HG2 ARG 42 HG2 ARG 42 7.700 1.682 -4.166 277 HG3 ARG 42 HG1 ARG 42 6.918 0.105 -4.044 278 HD2 ARG 42 HD2 ARG 42 7.282 0.580 -6.391 279 HD3 ARG 42 HD1 ARG 42 5.554 0.695 -6.069 280 HE ARG 42 HE ARG 42 6.848 3.237 -5.796 281 HH11 ARG 42 HH11 ARG 42 5.632 0.917 -8.060 282 HH12 ARG 42 HH12 ARG 42 5.319 2.087 -9.299 283 HH21 ARG 42 HH21 ARG 42 6.442 4.774 -7.418 284 HH22 ARG 42 HH22 ARG 42 5.778 4.269 -8.935 285 H VAL 43 HN VAL 43 4.521 0.403 -0.941 286 HA VAL 43 HA VAL 43 6.491 -1.046 0.484 287 HB VAL 43 HB VAL 43 3.606 -1.695 -0.146 288 HG11 VAL 43 HG11 VAL 43 5.746 -3.295 1.107 289 HG12 VAL 43 HG12 VAL 43 4.253 -3.184 2.032 290 HG13 VAL 43 HG13 VAL 43 4.223 -3.817 0.387 291 HG21 VAL 43 HG21 VAL 43 4.820 0.069 1.693 292 HG22 VAL 43 HG22 VAL 43 3.138 -0.441 1.627 293 HG23 VAL 43 HG23 VAL 43 4.277 -1.327 2.631 294 H ARG 44 HN ARG 44 4.781 -1.640 -2.521 295 HA ARG 44 HA ARG 44 6.926 -3.371 -3.410 296 HB2 ARG 44 HB2 ARG 44 4.845 -4.633 -2.178 297 HB3 ARG 44 HB1 ARG 44 4.310 -4.640 -3.856 298 HG2 ARG 44 HG2 ARG 44 5.589 -6.597 -3.783 299 HG3 ARG 44 HG1 ARG 44 6.786 -5.440 -4.335 300 HD2 ARG 44 HD2 ARG 44 7.550 -5.124 -2.004 301 HD3 ARG 44 HD1 ARG 44 6.344 -6.285 -1.458 302 HE ARG 44 HE ARG 44 7.959 -7.491 -3.442 303 HH11 ARG 44 HH11 ARG 44 8.045 -6.314 -0.189 304 HH12 ARG 44 HH12 ARG 44 9.290 -7.406 0.320 305 HH21 ARG 44 HH21 ARG 44 9.603 -8.916 -2.786 306 HH22 ARG 44 HH22 ARG 44 10.173 -8.878 -1.151 307 H ARG 45 HN ARG 45 5.447 -4.520 -5.551 308 HA ARG 45 HA ARG 45 5.343 -2.184 -7.295 309 HB2 ARG 45 HB2 ARG 45 5.396 -5.112 -7.992 310 HB3 ARG 45 HB1 ARG 45 5.539 -3.776 -9.132 311 HG2 ARG 45 HG2 ARG 45 7.438 -4.028 -6.801 312 HG3 ARG 45 HG1 ARG 45 7.718 -4.924 -8.291 313 HD2 ARG 45 HD2 ARG 45 7.608 -2.761 -9.551 314 HD3 ARG 45 HD1 ARG 45 7.479 -1.912 -8.017 315 HE ARG 45 HE ARG 45 9.753 -3.576 -7.934 316 HH11 ARG 45 HH11 ARG 45 8.503 -0.777 -9.536 317 HH12 ARG 45 HH12 ARG 45 10.056 -0.047 -9.775 318 HH21 ARG 45 HH21 ARG 45 11.796 -2.613 -8.225 319 HH22 ARG 45 HH22 ARG 45 11.918 -1.086 -9.033 320 H THR 46 HN THR 46 3.654 -5.077 -8.057 321 HA THR 46 HA THR 46 1.091 -3.588 -8.055 322 HB THR 46 HB THR 46 0.492 -4.993 -10.028 323 HG1 THR 46 HG1 THR 46 3.116 -5.577 -10.541 324 HG21 THR 46 HG21 THR 46 3.000 -3.727 -10.927 325 HG22 THR 46 HG22 THR 46 1.341 -3.417 -11.438 326 HG23 THR 46 HG23 THR 46 1.967 -2.677 -9.965 327 H LEU 47 HN LEU 47 2.198 -6.902 -8.473 328 HA LEU 47 HA LEU 47 0.886 -8.826 -7.982 329 HB2 LEU 47 HB2 LEU 47 1.576 -9.291 -5.533 330 HB3 LEU 47 HB1 LEU 47 2.820 -9.085 -6.763 331 HG LEU 47 HG LEU 47 1.982 -6.562 -5.496 332 HD11 LEU 47 HD11 LEU 47 3.160 -8.794 -3.892 333 HD12 LEU 47 HD12 LEU 47 3.394 -7.111 -3.460 334 HD13 LEU 47 HD13 LEU 47 1.774 -7.768 -3.523 335 HD21 LEU 47 HD21 LEU 47 3.982 -7.098 -7.073 336 HD22 LEU 47 HD22 LEU 47 4.290 -6.075 -5.676 337 HD23 LEU 47 HD23 LEU 47 4.740 -7.778 -5.631 338 H GLN 48 HN GLN 48 0.533 -7.894 -4.714 339 HA GLN 48 HA GLN 48 -2.379 -7.589 -5.030 340 HB2 GLN 48 HB2 GLN 48 -1.147 -9.798 -3.912 341 HB3 GLN 48 HB1 GLN 48 -1.482 -8.783 -2.507 342 HG2 GLN 48 HG2 GLN 48 -3.433 -10.100 -2.784 343 HG3 GLN 48 HG1 GLN 48 -3.846 -8.519 -3.444 344 HE21 GLN 48 HE21 GLN 48 -1.990 -11.262 -4.879 345 HE22 GLN 48 HE22 GLN 48 -2.984 -11.404 -6.248 346 H CYS 49 HN CYS 49 -3.277 -6.046 -3.787 347 HA CYS 49 HA CYS 49 -1.465 -4.433 -2.119 348 HB2 CYS 49 HB2 CYS 49 -2.064 -3.282 -4.122 349 HB3 CYS 49 HB1 CYS 49 -3.771 -3.667 -3.863 350 H SER 50 HN SER 50 -1.949 -4.242 -0.072 351 HA SER 50 HA SER 50 -4.762 -4.387 0.715 352 HB2 SER 50 HB2 SER 50 -2.506 -5.883 2.080 353 HB3 SER 50 HB1 SER 50 -4.158 -5.774 2.680 354 HG SER 50 HG SER 50 -4.805 -6.736 0.667 355 H CYS 51 HN CYS 51 -5.285 -3.103 2.517 356 HA CYS 51 HA CYS 51 -3.087 -1.522 3.690 357 HB2 CYS 51 HB2 CYS 51 -5.696 -0.245 2.937 358 HB3 CYS 51 HB1 CYS 51 -4.137 0.520 3.223 359 H ARG 52 HN ARG 52 -3.631 -0.562 5.774 360 HA ARG 52 HA ARG 52 -6.136 -1.459 7.024 361 HB2 ARG 52 HB2 ARG 52 -4.918 -2.414 8.988 362 HB3 ARG 52 HB1 ARG 52 -4.725 -3.354 7.507 363 HG2 ARG 52 HG2 ARG 52 -2.533 -2.653 7.195 364 HG3 ARG 52 HG1 ARG 52 -2.735 -1.210 8.172 365 HD2 ARG 52 HD2 ARG 52 -2.923 -3.976 9.360 366 HD3 ARG 52 HD1 ARG 52 -1.387 -3.120 9.228 367 HE ARG 52 HE ARG 52 -3.253 -1.396 10.442 368 HH11 ARG 52 HH11 ARG 52 -1.577 -4.364 11.029 369 HH12 ARG 52 HH12 ARG 52 -1.543 -4.166 12.748 370 HH21 ARG 52 HH21 ARG 52 -3.198 -1.121 12.691 371 HH22 ARG 52 HH22 ARG 52 -2.460 -2.328 13.690 372 H ARG 53 HN ARG 53 -6.651 -0.389 8.956 373 HA ARG 53 HA ARG 53 -6.016 2.322 9.030 374 HB2 ARG 53 HB2 ARG 53 -8.038 1.481 10.018 375 HB3 ARG 53 HB1 ARG 53 -7.093 0.659 11.254 376 HG2 ARG 53 HG2 ARG 53 -6.418 2.663 12.264 377 HG3 ARG 53 HG1 ARG 53 -6.774 3.612 10.821 378 HD2 ARG 53 HD2 ARG 53 -9.150 3.279 11.130 379 HD3 ARG 53 HD1 ARG 53 -8.867 2.223 12.510 380 HE ARG 53 HE ARG 53 -8.657 5.135 12.462 381 HH11 ARG 53 HH11 ARG 53 -8.004 2.143 14.081 382 HH12 ARG 53 HH12 ARG 53 -7.829 2.870 15.642 383 HH21 ARG 53 HH21 ARG 53 -8.440 6.088 14.506 384 HH22 ARG 53 HH22 ARG 53 -8.075 5.104 15.883 385 H VAL 54 HN VAL 54 -4.802 3.586 10.273 386 HA VAL 54 HA VAL 54 -3.103 2.781 12.397 387 HB VAL 54 HB VAL 54 -2.094 1.605 10.352 388 HG11 VAL 54 HG11 VAL 54 -0.778 4.199 9.689 389 HG12 VAL 54 HG12 VAL 54 -1.126 2.828 8.653 390 HG13 VAL 54 HG13 VAL 54 -2.411 3.943 9.098 391 HG21 VAL 54 HG21 VAL 54 -0.478 1.510 11.915 392 HG22 VAL 54 HG22 VAL 54 0.238 2.892 11.087 393 HG23 VAL 54 HG23 VAL 54 -0.822 3.145 12.475 394 H CYS 55 HN CYS 55 -4.682 5.005 12.215 395 HA CYS 55 HA CYS 55 -4.512 7.244 12.725 396 HB2 CYS 55 HB2 CYS 55 -2.543 8.108 13.404 397 HB3 CYS 55 HB1 CYS 55 -1.813 6.559 13.022 398 H ARG 56 HN ARG 56 -3.833 5.719 9.872 399 HA ARG 56 HA ARG 56 -5.136 7.593 8.244 400 HB2 ARG 56 HB2 ARG 56 -2.521 8.398 8.815 401 HB3 ARG 56 HB1 ARG 56 -2.421 7.618 7.237 402 HG2 ARG 56 HG2 ARG 56 -2.963 9.870 6.698 403 HG3 ARG 56 HG1 ARG 56 -4.509 9.042 6.619 404 HD2 ARG 56 HD2 ARG 56 -5.152 9.859 8.787 405 HD3 ARG 56 HD1 ARG 56 -3.527 10.451 9.116 406 HE ARG 56 HE ARG 56 -4.429 11.751 6.811 407 HH11 ARG 56 HH11 ARG 56 -5.236 11.439 10.159 408 HH12 ARG 56 HH12 ARG 56 -5.898 13.034 10.293 409 HH21 ARG 56 HH21 ARG 56 -5.284 13.856 6.985 410 HH22 ARG 56 HH22 ARG 56 -5.924 14.399 8.500 411 H ASN 57 HN ASN 57 -4.488 4.704 8.740 412 HA ASN 57 HA ASN 57 -4.647 2.826 7.414 413 HB2 ASN 57 HB2 ASN 57 -5.666 4.649 5.764 414 HB3 ASN 57 HB1 ASN 57 -4.189 4.271 4.898 415 HD21 ASN 57 HD21 ASN 57 -6.849 3.551 3.938 416 HD22 ASN 57 HD22 ASN 57 -6.929 1.856 3.911 417 H THR 58 HN THR 58 -3.163 1.410 6.599 418 HA THR 58 HA THR 58 -0.419 2.407 6.231 419 HB THR 58 HB THR 58 -0.686 -0.466 6.790 420 HG1 THR 58 HG1 THR 58 -2.202 0.757 8.258 421 HG21 THR 58 HG21 THR 58 1.070 1.730 7.902 422 HG22 THR 58 HG22 THR 58 1.291 0.002 8.169 423 HG23 THR 58 HG23 THR 58 1.457 0.669 6.544 424 H CYS 59 HN CYS 59 0.885 1.164 4.796 425 HA CYS 59 HA CYS 59 -0.689 0.098 2.541 426 HB2 CYS 59 HB2 CYS 59 0.671 2.209 2.316 427 HB3 CYS 59 HB1 CYS 59 2.097 1.256 2.562 428 H SER 60 HN SER 60 -0.526 -1.983 2.176 429 HA SER 60 HA SER 60 2.030 -3.339 2.600 430 HB2 SER 60 HB2 SER 60 -0.600 -4.366 3.683 431 HB3 SER 60 HB1 SER 60 0.942 -5.219 3.732 432 HG SER 60 HG SER 60 1.739 -3.658 5.095 433 H CYS 61 HN CYS 61 2.475 -3.979 0.590 434 HA CYS 61 HA CYS 61 0.353 -5.355 -0.932 435 HB2 CYS 61 HB2 CYS 61 2.657 -3.725 -2.036 436 HB3 CYS 61 HB1 CYS 61 1.497 -4.625 -3.004 437 H ILE 62 HN ILE 62 0.734 -7.401 -1.335 438 HA ILE 62 HA ILE 62 3.441 -8.463 -1.581 439 HB ILE 62 HB ILE 62 2.723 -10.214 0.284 440 HG12 ILE 62 HG12 ILE 62 1.579 -9.093 2.151 441 HG13 ILE 62 HG11 ILE 62 1.374 -7.644 1.170 442 HG21 ILE 62 HG21 ILE 62 3.777 -7.511 1.148 443 HG22 ILE 62 HG22 ILE 62 4.149 -9.086 1.835 444 HG23 ILE 62 HG23 ILE 62 4.761 -8.660 0.238 445 HD11 ILE 62 HD11 ILE 62 -0.588 -9.368 1.306 446 HD12 ILE 62 HD12 ILE 62 -0.167 -8.682 -0.265 447 HD13 ILE 62 HD13 ILE 62 0.386 -10.298 0.170 448 H ARG 63 HN ARG 63 3.397 -10.887 -1.903 449 HA ARG 63 HA ARG 63 1.218 -11.510 -3.724 450 HB2 ARG 63 HB2 ARG 63 3.707 -13.062 -2.975 451 HB3 ARG 63 HB1 ARG 63 2.545 -13.559 -4.205 452 HG2 ARG 63 HG2 ARG 63 3.002 -11.580 -5.527 453 HG3 ARG 63 HG1 ARG 63 4.021 -10.915 -4.250 454 HD2 ARG 63 HD2 ARG 63 4.582 -13.517 -5.691 455 HD3 ARG 63 HD1 ARG 63 5.333 -11.976 -6.096 456 HE ARG 63 HE ARG 63 5.747 -12.399 -3.363 457 HH11 ARG 63 HH11 ARG 63 6.533 -13.850 -6.405 458 HH12 ARG 63 HH12 ARG 63 8.036 -14.513 -5.858 459 HH21 ARG 63 HH21 ARG 63 7.719 -13.264 -2.639 460 HH22 ARG 63 HH22 ARG 63 8.708 -14.181 -3.725 461 H LEU 64 HN LEU 64 1.593 -11.699 -0.502 462 HA LEU 64 HA LEU 64 0.435 -14.352 -0.104 463 HB2 LEU 64 HB2 LEU 64 1.052 -12.168 1.901 464 HB3 LEU 64 HB1 LEU 64 0.578 -13.822 2.290 465 HG LEU 64 HG LEU 64 3.056 -13.039 0.723 466 HD11 LEU 64 HD11 LEU 64 2.936 -14.267 3.479 467 HD12 LEU 64 HD12 LEU 64 4.312 -13.505 2.681 468 HD13 LEU 64 HD13 LEU 64 2.962 -12.519 3.242 469 HD21 LEU 64 HD21 LEU 64 2.623 -15.191 -0.029 470 HD22 LEU 64 HD22 LEU 64 3.521 -15.562 1.441 471 HD23 LEU 64 HD23 LEU 64 1.760 -15.645 1.441 472 H SER 65 HN SER 65 -1.575 -14.754 0.883 473 HA SER 65 HA SER 65 -3.548 -12.579 0.510 474 HB2 SER 65 HB2 SER 65 -3.934 -15.576 0.343 475 HB3 SER 65 HB1 SER 65 -5.207 -14.373 0.161 476 HG SER 65 HG SER 65 -2.871 -14.636 -1.438 477 H ARG 66 HN ARG 66 -2.212 -12.540 2.886 478 HA ARG 66 HA ARG 66 -4.356 -13.155 4.763 479 HB2 ARG 66 HB2 ARG 66 -2.930 -14.375 6.308 480 HB3 ARG 66 HB1 ARG 66 -2.933 -15.196 4.746 481 HG2 ARG 66 HG2 ARG 66 -0.818 -13.945 4.177 482 HG3 ARG 66 HG1 ARG 66 -0.781 -13.367 5.843 483 HD2 ARG 66 HD2 ARG 66 0.616 -15.342 5.688 484 HD3 ARG 66 HD1 ARG 66 -0.826 -15.747 6.615 485 HE ARG 66 HE ARG 66 -1.192 -16.312 3.836 486 HH11 ARG 66 HH11 ARG 66 0.320 -17.404 6.750 487 HH12 ARG 66 HH12 ARG 66 0.320 -19.074 6.287 488 HH21 ARG 66 HH21 ARG 66 -1.196 -18.496 3.222 489 HH22 ARG 66 HH22 ARG 66 -0.538 -19.692 4.289 490 H SER 67 HN SER 67 -3.786 -12.294 6.991 491 HA SER 67 HA SER 67 -3.396 -9.600 6.978 492 HB2 SER 67 HB2 SER 67 -2.848 -9.750 9.349 493 HB3 SER 67 HB1 SER 67 -4.108 -10.919 8.963 494 HG SER 67 HG SER 67 -2.724 -12.209 9.932 495 H THR 68 HN THR 68 -1.830 -8.402 6.244 496 HA THR 68 HA THR 68 0.851 -9.448 5.931 497 HB THR 68 HB THR 68 1.287 -7.348 4.779 498 HG1 THR 68 HG1 THR 68 0.197 -5.857 5.924 499 HG21 THR 68 HG21 THR 68 -0.130 -9.255 3.752 500 HG22 THR 68 HG22 THR 68 -1.498 -8.167 3.983 501 HG23 THR 68 HG23 THR 68 -0.156 -7.687 2.945 502 H TYR 69 HN TYR 69 -0.879 -7.762 8.310 503 HA TYR 69 HA TYR 69 1.060 -6.041 9.383 504 HB2 TYR 69 HB2 TYR 69 -1.204 -5.867 10.137 505 HB3 TYR 69 HB1 TYR 69 -1.212 -7.542 10.687 506 HD1 TYR 69 HD1 TYR 69 0.741 -4.373 11.172 507 HD2 TYR 69 HD2 TYR 69 -0.784 -7.975 12.942 508 HE1 TYR 69 HE1 TYR 69 1.598 -3.647 13.383 509 HE2 TYR 69 HE2 TYR 69 0.077 -7.254 15.152 510 HH TYR 69 HH TYR 69 1.099 -4.093 15.781 511 H ALA 70 HN ALA 70 0.308 -9.421 10.190 512 HA ALA 70 HA ALA 70 2.816 -9.552 11.730 513 HB1 ALA 70 HB1 ALA 70 0.228 -11.033 11.828 514 HB2 ALA 70 HB2 ALA 70 1.693 -11.894 12.303 515 HB3 ALA 70 HB3 ALA 70 1.224 -10.418 13.148 516 H SER 71 HN SER 71 4.467 -10.861 11.121 517 HA SER 71 HA SER 71 4.362 -11.993 8.448 518 HB2 SER 71 HB2 SER 71 6.425 -11.015 8.756 519 HB3 SER 71 HB1 SER 71 6.489 -11.432 10.465 520 HG SER 71 HG SER 71 7.515 -12.741 8.381 Start of MODEL 13 1 H LEU 1 HN LEU 1 -15.496 2.052 -2.247 2 HA LEU 1 HA LEU 1 -14.327 2.071 -0.254 3 HB2 LEU 1 HB2 LEU 1 -12.757 -0.240 -1.423 4 HB3 LEU 1 HB1 LEU 1 -12.876 0.206 0.279 5 HG LEU 1 HG LEU 1 -15.187 -0.686 -1.471 6 HD11 LEU 1 HD11 LEU 1 -15.164 -2.701 -0.055 7 HD12 LEU 1 HD12 LEU 1 -13.624 -2.511 -0.893 8 HD13 LEU 1 HD13 LEU 1 -13.760 -2.083 0.812 9 HD21 LEU 1 HD21 LEU 1 -16.190 -0.853 0.969 10 HD22 LEU 1 HD22 LEU 1 -14.963 0.360 1.335 11 HD23 LEU 1 HD23 LEU 1 -16.194 0.691 0.117 12 H ARG 2 HN ARG 2 -12.490 3.088 0.547 13 HA ARG 2 HA ARG 2 -10.983 4.638 -1.271 14 HB2 ARG 2 HB2 ARG 2 -9.827 5.477 0.630 15 HB3 ARG 2 HB1 ARG 2 -11.470 5.146 1.181 16 HG2 ARG 2 HG2 ARG 2 -10.588 2.830 1.876 17 HG3 ARG 2 HG1 ARG 2 -8.975 3.515 1.668 18 HD2 ARG 2 HD2 ARG 2 -9.570 3.798 3.981 19 HD3 ARG 2 HD1 ARG 2 -9.663 5.383 3.218 20 HE ARG 2 HE ARG 2 -12.192 4.056 3.140 21 HH11 ARG 2 HH11 ARG 2 -9.975 5.756 5.180 22 HH12 ARG 2 HH12 ARG 2 -11.201 6.351 6.250 23 HH21 ARG 2 HH21 ARG 2 -13.805 4.828 4.538 24 HH22 ARG 2 HH22 ARG 2 -13.370 5.824 5.886 25 H VAL 3 HN VAL 3 -8.695 4.594 -1.663 26 HA VAL 3 HA VAL 3 -6.934 3.434 -2.624 27 HB VAL 3 HB VAL 3 -6.956 2.265 0.175 28 HG11 VAL 3 HG11 VAL 3 -4.407 2.255 -0.392 29 HG12 VAL 3 HG12 VAL 3 -5.425 0.967 -1.037 30 HG13 VAL 3 HG13 VAL 3 -4.952 2.313 -2.066 31 HG21 VAL 3 HG21 VAL 3 -5.595 4.131 0.812 32 HG22 VAL 3 HG22 VAL 3 -5.386 4.641 -0.861 33 HG23 VAL 3 HG23 VAL 3 -6.953 4.816 -0.078 34 H ARG 4 HN ARG 4 -7.875 2.161 -4.211 35 HA ARG 4 HA ARG 4 -9.131 -0.361 -3.654 36 HB2 ARG 4 HB2 ARG 4 -9.242 1.359 -5.738 37 HB3 ARG 4 HB1 ARG 4 -8.095 0.183 -6.373 38 HG2 ARG 4 HG2 ARG 4 -9.704 -1.642 -5.818 39 HG3 ARG 4 HG1 ARG 4 -10.855 -0.426 -5.271 40 HD2 ARG 4 HD2 ARG 4 -10.718 0.620 -7.557 41 HD3 ARG 4 HD1 ARG 4 -9.745 -0.758 -8.068 42 HE ARG 4 HE ARG 4 -12.109 -1.736 -6.896 43 HH11 ARG 4 HH11 ARG 4 -11.012 0.066 -9.641 44 HH12 ARG 4 HH12 ARG 4 -12.309 -0.447 -10.668 45 HH21 ARG 4 HH21 ARG 4 -13.818 -2.401 -8.232 46 HH22 ARG 4 HH22 ARG 4 -13.898 -1.842 -9.870 47 H ARG 5 HN ARG 5 -8.060 -2.061 -5.578 48 HA ARG 5 HA ARG 5 -5.235 -2.332 -5.132 49 HB2 ARG 5 HB2 ARG 5 -5.590 -4.625 -4.132 50 HB3 ARG 5 HB1 ARG 5 -5.974 -3.277 -3.070 51 HG2 ARG 5 HG2 ARG 5 -8.369 -3.487 -3.738 52 HG3 ARG 5 HG1 ARG 5 -7.947 -4.894 -4.715 53 HD2 ARG 5 HD2 ARG 5 -7.247 -6.121 -2.756 54 HD3 ARG 5 HD1 ARG 5 -7.402 -4.689 -1.745 55 HE ARG 5 HE ARG 5 -9.743 -4.941 -1.796 56 HH11 ARG 5 HH11 ARG 5 -8.123 -7.213 -3.853 57 HH12 ARG 5 HH12 ARG 5 -9.514 -8.221 -4.057 58 HH21 ARG 5 HH21 ARG 5 -11.559 -6.273 -2.052 59 HH22 ARG 5 HH22 ARG 5 -11.456 -7.691 -3.041 60 H THR 6 HN THR 6 -4.402 -4.362 -6.176 61 HA THR 6 HA THR 6 -4.384 -6.001 -7.833 62 HB THR 6 HB THR 6 -6.953 -5.168 -9.042 63 HG1 THR 6 HG1 THR 6 -7.562 -5.072 -6.988 64 HG21 THR 6 HG21 THR 6 -7.191 -7.510 -9.417 65 HG22 THR 6 HG22 THR 6 -5.507 -7.116 -9.758 66 HG23 THR 6 HG23 THR 6 -5.939 -7.892 -8.235 67 H LEU 7 HN LEU 7 -3.715 -3.116 -7.892 68 HA LEU 7 HA LEU 7 -3.471 -2.909 -10.797 69 HB2 LEU 7 HB2 LEU 7 -3.855 -0.352 -10.402 70 HB3 LEU 7 HB1 LEU 7 -5.231 -1.440 -10.554 71 HG LEU 7 HG LEU 7 -4.216 -1.272 -7.797 72 HD11 LEU 7 HD11 LEU 7 -5.118 1.192 -9.248 73 HD12 LEU 7 HD12 LEU 7 -5.377 0.992 -7.520 74 HD13 LEU 7 HD13 LEU 7 -3.743 0.964 -8.162 75 HD21 LEU 7 HD21 LEU 7 -6.533 -1.258 -7.298 76 HD22 LEU 7 HD22 LEU 7 -6.951 -0.571 -8.863 77 HD23 LEU 7 HD23 LEU 7 -6.417 -2.245 -8.756 78 H GLN 8 HN GLN 8 -2.645 -0.095 -9.041 79 HA GLN 8 HA GLN 8 0.210 -0.839 -9.065 80 HB2 GLN 8 HB2 GLN 8 -0.940 1.260 -10.471 81 HB3 GLN 8 HB1 GLN 8 -0.362 2.036 -8.988 82 HG2 GLN 8 HG2 GLN 8 1.333 0.253 -10.758 83 HG3 GLN 8 HG1 GLN 8 1.363 2.013 -10.777 84 HE21 GLN 8 HE21 GLN 8 3.527 0.053 -9.938 85 HE22 GLN 8 HE22 GLN 8 3.936 0.514 -8.356 86 H CYS 9 HN CYS 9 1.331 -0.517 -7.238 87 HA CYS 9 HA CYS 9 -0.182 0.444 -4.911 88 HB2 CYS 9 HB2 CYS 9 0.331 -2.008 -5.219 89 HB3 CYS 9 HB1 CYS 9 2.020 -1.598 -4.925 90 H SER 10 HN SER 10 0.568 2.116 -3.827 91 HA SER 10 HA SER 10 3.448 2.677 -3.742 92 HB2 SER 10 HB2 SER 10 3.129 5.003 -4.383 93 HB3 SER 10 HB1 SER 10 2.532 3.956 -5.667 94 HG SER 10 HG SER 10 1.220 5.811 -4.283 95 H CYS 11 HN CYS 11 3.993 4.299 -2.102 96 HA CYS 11 HA CYS 11 1.962 4.499 0.043 97 HB2 CYS 11 HB2 CYS 11 4.937 4.056 0.336 98 HB3 CYS 11 HB1 CYS 11 3.819 4.357 1.663 99 H ARG 12 HN ARG 12 2.212 6.303 1.498 100 HA ARG 12 HA ARG 12 3.923 8.500 0.534 101 HB2 ARG 12 HB2 ARG 12 2.045 10.097 0.553 102 HB3 ARG 12 HB1 ARG 12 1.801 8.831 -0.651 103 HG2 ARG 12 HG2 ARG 12 0.396 7.593 0.955 104 HG3 ARG 12 HG1 ARG 12 0.595 8.897 2.124 105 HD2 ARG 12 HD2 ARG 12 -0.460 10.469 0.560 106 HD3 ARG 12 HD1 ARG 12 -0.650 9.175 -0.622 107 HE ARG 12 HE ARG 12 -1.846 8.388 1.813 108 HH11 ARG 12 HH11 ARG 12 -2.217 10.631 -0.795 109 HH12 ARG 12 HH12 ARG 12 -3.941 10.713 -0.657 110 HH21 ARG 12 HH21 ARG 12 -4.097 8.486 1.998 111 HH22 ARG 12 HH22 ARG 12 -5.009 9.497 0.927 112 H ARG 13 HN ARG 13 4.297 10.129 2.080 113 HA ARG 13 HA ARG 13 4.259 9.124 4.775 114 HB2 ARG 13 HB2 ARG 13 6.170 10.369 3.873 115 HB3 ARG 13 HB1 ARG 13 5.158 11.804 3.773 116 HG2 ARG 13 HG2 ARG 13 4.902 11.923 6.128 117 HG3 ARG 13 HG1 ARG 13 5.517 10.284 6.354 118 HD2 ARG 13 HD2 ARG 13 7.724 10.982 5.577 119 HD3 ARG 13 HD1 ARG 13 7.124 12.612 5.283 120 HE ARG 13 HE ARG 13 7.234 13.014 7.569 121 HH11 ARG 13 HH11 ARG 13 7.494 9.637 6.873 122 HH12 ARG 13 HH12 ARG 13 7.953 9.199 8.485 123 HH21 ARG 13 HH21 ARG 13 7.884 12.455 9.673 124 HH22 ARG 13 HH22 ARG 13 8.174 10.795 10.069 125 H VAL 14 HN VAL 14 3.439 10.147 6.565 126 HA VAL 14 HA VAL 14 1.634 12.322 6.484 127 HB VAL 14 HB VAL 14 0.273 10.634 5.304 128 HG11 VAL 14 HG11 VAL 14 0.479 9.089 7.924 129 HG12 VAL 14 HG12 VAL 14 -0.536 8.669 6.546 130 HG13 VAL 14 HG13 VAL 14 1.217 8.632 6.389 131 HG21 VAL 14 HG21 VAL 14 -0.907 11.053 8.050 132 HG22 VAL 14 HG22 VAL 14 -0.658 12.408 6.948 133 HG23 VAL 14 HG23 VAL 14 -1.723 11.082 6.485 134 H CYS 15 HN CYS 15 3.157 9.769 8.012 135 HA CYS 15 HA CYS 15 3.611 10.859 10.476 136 HB2 CYS 15 HB2 CYS 15 1.547 11.015 11.427 137 HB3 CYS 15 HB1 CYS 15 0.826 9.929 10.248 138 H ARG 16 HN ARG 16 2.878 8.194 8.561 139 HA ARG 16 HA ARG 16 4.989 6.567 9.577 140 HB2 ARG 16 HB2 ARG 16 2.657 6.522 11.059 141 HB3 ARG 16 HB1 ARG 16 2.474 5.165 9.970 142 HG2 ARG 16 HG2 ARG 16 3.607 4.231 11.834 143 HG3 ARG 16 HG1 ARG 16 4.896 4.541 10.672 144 HD2 ARG 16 HD2 ARG 16 5.529 6.576 11.808 145 HD3 ARG 16 HD1 ARG 16 4.106 6.506 12.843 146 HE ARG 16 HE ARG 16 5.546 4.145 13.252 147 HH11 ARG 16 HH11 ARG 16 5.888 7.565 13.622 148 HH12 ARG 16 HH12 ARG 16 6.977 7.453 14.964 149 HH21 ARG 16 HH21 ARG 16 6.995 3.982 14.991 150 HH22 ARG 16 HH22 ARG 16 7.606 5.420 15.740 151 H ASN 17 HN ASN 17 4.089 7.484 7.055 152 HA ASN 17 HA ASN 17 3.868 6.673 4.915 153 HB2 ASN 17 HB2 ASN 17 5.260 4.762 6.139 154 HB3 ASN 17 HB1 ASN 17 3.769 3.872 5.901 155 HD21 ASN 17 HD21 ASN 17 4.358 2.518 4.204 156 HD22 ASN 17 HD22 ASN 17 4.889 3.063 2.687 157 H THR 18 HN THR 18 2.079 6.447 3.787 158 HA THR 18 HA THR 18 -0.335 5.328 5.016 159 HB THR 18 HB THR 18 -0.851 7.215 2.837 160 HG1 THR 18 HG1 THR 18 1.058 8.030 4.142 161 HG21 THR 18 HG21 THR 18 -2.470 8.072 4.521 162 HG22 THR 18 HG22 THR 18 -2.613 6.340 4.233 163 HG23 THR 18 HG23 THR 18 -1.816 6.932 5.691 164 H CYS 19 HN CYS 19 -2.013 4.706 3.329 165 HA CYS 19 HA CYS 19 -0.630 3.046 1.329 166 HB2 CYS 19 HB2 CYS 19 -2.168 2.122 3.178 167 HB3 CYS 19 HB1 CYS 19 -3.488 2.802 2.254 168 H SER 20 HN SER 20 -0.747 3.597 -0.734 169 HA SER 20 HA SER 20 -3.242 4.747 -1.759 170 HB2 SER 20 HB2 SER 20 -0.499 5.875 -2.344 171 HB3 SER 20 HB1 SER 20 -2.009 6.392 -3.093 172 HG SER 20 HG SER 20 -2.163 7.673 -1.442 173 H CYS 21 HN CYS 21 -3.888 3.238 -3.115 174 HA CYS 21 HA CYS 21 -1.964 2.196 -5.092 175 HB2 CYS 21 HB2 CYS 21 -4.315 0.778 -3.824 176 HB3 CYS 21 HB1 CYS 21 -3.451 0.160 -5.225 177 H ILE 22 HN ILE 22 -2.419 2.695 -7.095 178 HA ILE 22 HA ILE 22 -5.143 3.217 -8.003 179 HB ILE 22 HB ILE 22 -4.213 5.551 -8.879 180 HG12 ILE 22 HG12 ILE 22 -2.863 6.659 -7.134 181 HG13 ILE 22 HG11 ILE 22 -2.755 5.140 -6.250 182 HG21 ILE 22 HG21 ILE 22 -5.152 5.359 -6.011 183 HG22 ILE 22 HG22 ILE 22 -5.466 6.643 -7.173 184 HG23 ILE 22 HG23 ILE 22 -6.241 5.075 -7.370 185 HD11 ILE 22 HD11 ILE 22 -0.815 5.819 -7.879 186 HD12 ILE 22 HD12 ILE 22 -1.376 4.150 -7.857 187 HD13 ILE 22 HD13 ILE 22 -1.910 5.244 -9.134 188 H ARG 23 HN ARG 23 -5.205 3.777 -10.349 189 HA ARG 23 HA ARG 23 -3.160 2.251 -11.743 190 HB2 ARG 23 HB2 ARG 23 -5.700 3.594 -12.685 191 HB3 ARG 23 HB1 ARG 23 -4.594 2.739 -13.760 192 HG2 ARG 23 HG2 ARG 23 -4.862 0.695 -12.355 193 HG3 ARG 23 HG1 ARG 23 -6.047 1.560 -11.373 194 HD2 ARG 23 HD2 ARG 23 -6.294 1.149 -14.365 195 HD3 ARG 23 HD1 ARG 23 -7.081 0.134 -13.161 196 HE ARG 23 HE ARG 23 -7.802 2.752 -12.562 197 HH11 ARG 23 HH11 ARG 23 -8.070 0.524 -15.196 198 HH12 ARG 23 HH12 ARG 23 -9.562 1.181 -15.781 199 HH21 ARG 23 HH21 ARG 23 -9.761 3.619 -13.325 200 HH22 ARG 23 HH22 ARG 23 -10.519 2.931 -14.722 201 H LEU 24 HN LEU 24 -3.358 5.305 -10.658 202 HA LEU 24 HA LEU 24 -2.331 6.711 -12.981 203 HB2 LEU 24 HB2 LEU 24 -2.726 7.527 -10.104 204 HB3 LEU 24 HB1 LEU 24 -2.031 8.596 -11.317 205 HG LEU 24 HG LEU 24 -4.735 7.239 -11.584 206 HD11 LEU 24 HD11 LEU 24 -3.888 9.715 -10.221 207 HD12 LEU 24 HD12 LEU 24 -5.238 9.918 -11.338 208 HD13 LEU 24 HD13 LEU 24 -5.357 8.759 -10.014 209 HD21 LEU 24 HD21 LEU 24 -4.712 9.490 -13.180 210 HD22 LEU 24 HD22 LEU 24 -3.059 8.904 -13.352 211 HD23 LEU 24 HD23 LEU 24 -4.414 7.849 -13.751 212 H SER 25 HN SER 25 -0.314 7.996 -12.821 213 HA SER 25 HA SER 25 1.883 6.245 -12.183 214 HB2 SER 25 HB2 SER 25 1.822 9.081 -13.233 215 HB3 SER 25 HB1 SER 25 3.276 8.100 -13.077 216 HG SER 25 HG SER 25 1.436 8.105 -15.023 217 H ARG 26 HN ARG 26 0.622 6.683 -9.837 218 HA ARG 26 HA ARG 26 0.995 7.274 -7.647 219 HB2 ARG 26 HB2 ARG 26 3.743 8.049 -8.652 220 HB3 ARG 26 HB1 ARG 26 3.284 7.743 -6.977 221 HG2 ARG 26 HG2 ARG 26 2.777 5.446 -7.454 222 HG3 ARG 26 HG1 ARG 26 2.959 5.714 -9.187 223 HD2 ARG 26 HD2 ARG 26 5.180 6.033 -7.147 224 HD3 ARG 26 HD1 ARG 26 4.968 4.628 -8.188 225 HE ARG 26 HE ARG 26 5.034 6.861 -9.858 226 HH11 ARG 26 HH11 ARG 26 7.061 5.248 -7.566 227 HH12 ARG 26 HH12 ARG 26 8.540 5.707 -8.342 228 HH21 ARG 26 HH21 ARG 26 6.967 7.467 -10.883 229 HH22 ARG 26 HH22 ARG 26 8.487 6.964 -10.221 230 H SER 27 HN SER 27 -0.047 9.175 -9.560 231 HA SER 27 HA SER 27 0.820 11.729 -8.342 232 HB2 SER 27 HB2 SER 27 -0.685 11.241 -10.922 233 HB3 SER 27 HB1 SER 27 -0.198 12.816 -10.298 234 HG SER 27 HG SER 27 1.619 12.440 -11.273 235 H THR 28 HN THR 28 -0.425 11.752 -6.491 236 HA THR 28 HA THR 28 -3.229 12.389 -6.867 237 HB THR 28 HB THR 28 -3.971 10.303 -6.436 238 HG1 THR 28 HG1 THR 28 -2.773 10.689 -3.898 239 HG21 THR 28 HG21 THR 28 -1.919 9.207 -6.988 240 HG22 THR 28 HG22 THR 28 -1.149 9.753 -5.498 241 HG23 THR 28 HG23 THR 28 -2.424 8.538 -5.437 242 H TYR 29 HN TYR 29 -1.011 11.371 -4.250 243 HA TYR 29 HA TYR 29 -2.026 13.118 -2.301 244 HB2 TYR 29 HB2 TYR 29 -0.641 11.303 -1.608 245 HB3 TYR 29 HB1 TYR 29 0.690 11.842 -2.628 246 HD1 TYR 29 HD1 TYR 29 -1.466 13.013 0.213 247 HD2 TYR 29 HD2 TYR 29 2.356 13.221 -1.732 248 HE1 TYR 29 HE1 TYR 29 -0.603 14.414 2.065 249 HE2 TYR 29 HE2 TYR 29 3.220 14.626 0.118 250 HH TYR 29 HH TYR 29 1.604 14.974 3.069 251 H ALA 30 HN ALA 30 0.785 13.498 -4.450 252 HA ALA 30 HA ALA 30 1.518 16.053 -3.530 253 HB1 ALA 30 HB1 ALA 30 2.771 14.378 -5.107 254 HB2 ALA 30 HB2 ALA 30 1.926 15.241 -6.391 255 HB3 ALA 30 HB3 ALA 30 3.016 16.112 -5.314 256 H SER 31 HN SER 31 -0.694 15.010 -6.088 257 HA SER 31 HA SER 31 -1.226 17.567 -7.173 258 HB2 SER 31 HB2 SER 31 -2.884 16.521 -8.415 259 HB3 SER 31 HB1 SER 31 -1.845 15.155 -8.022 260 HG SER 31 HG SER 31 -3.289 14.449 -6.596 261 H LEU 41 HN LEU 41 4.274 -3.721 6.042 262 HA LEU 41 HA LEU 41 6.208 -2.423 6.006 263 HB2 LEU 41 HB2 LEU 41 7.626 -4.961 6.850 264 HB3 LEU 41 HB1 LEU 41 8.330 -3.346 6.811 265 HG LEU 41 HG LEU 41 5.957 -4.182 8.509 266 HD11 LEU 41 HD11 LEU 41 8.067 -3.334 10.132 267 HD12 LEU 41 HD12 LEU 41 7.542 -5.000 9.894 268 HD13 LEU 41 HD13 LEU 41 8.841 -4.334 8.904 269 HD21 LEU 41 HD21 LEU 41 7.328 -1.577 7.954 270 HD22 LEU 41 HD22 LEU 41 5.621 -1.904 8.250 271 HD23 LEU 41 HD23 LEU 41 6.762 -1.879 9.595 272 H ARG 42 HN ARG 42 5.328 -4.921 4.111 273 HA ARG 42 HA ARG 42 7.619 -4.661 2.264 274 HB2 ARG 42 HB2 ARG 42 5.387 -6.710 2.344 275 HB3 ARG 42 HB1 ARG 42 6.725 -6.699 1.197 276 HG2 ARG 42 HG2 ARG 42 7.302 -6.680 4.147 277 HG3 ARG 42 HG1 ARG 42 6.879 -8.195 3.352 278 HD2 ARG 42 HD2 ARG 42 9.131 -6.355 2.480 279 HD3 ARG 42 HD1 ARG 42 9.335 -7.827 3.418 280 HE ARG 42 HE ARG 42 8.755 -7.654 0.582 281 HH11 ARG 42 HH11 ARG 42 8.679 -9.540 3.481 282 HH12 ARG 42 HH12 ARG 42 8.664 -11.063 2.656 283 HH21 ARG 42 HH21 ARG 42 8.724 -9.651 -0.510 284 HH22 ARG 42 HH22 ARG 42 8.689 -11.125 0.397 285 H VAL 43 HN VAL 43 7.358 -3.262 0.653 286 HA VAL 43 HA VAL 43 4.645 -2.920 -0.476 287 HB VAL 43 HB VAL 43 6.735 -0.828 0.132 288 HG11 VAL 43 HG11 VAL 43 4.811 0.619 -0.999 289 HG12 VAL 43 HG12 VAL 43 6.092 -0.089 -1.978 290 HG13 VAL 43 HG13 VAL 43 4.517 -0.874 -1.885 291 HG21 VAL 43 HG21 VAL 43 5.182 -0.000 1.622 292 HG22 VAL 43 HG22 VAL 43 3.815 -0.601 0.689 293 HG23 VAL 43 HG23 VAL 43 4.754 -1.709 1.690 294 H ARG 44 HN ARG 44 4.738 -4.066 -2.312 295 HA ARG 44 HA ARG 44 7.082 -3.985 -4.030 296 HB2 ARG 44 HB2 ARG 44 5.226 -5.924 -3.505 297 HB3 ARG 44 HB1 ARG 44 4.658 -5.284 -5.038 298 HG2 ARG 44 HG2 ARG 44 6.222 -7.042 -5.552 299 HG3 ARG 44 HG1 ARG 44 7.024 -5.515 -5.913 300 HD2 ARG 44 HD2 ARG 44 7.505 -6.123 -3.163 301 HD3 ARG 44 HD1 ARG 44 7.855 -7.569 -4.103 302 HE ARG 44 HE ARG 44 9.312 -5.062 -4.172 303 HH11 ARG 44 HH11 ARG 44 8.511 -8.017 -5.790 304 HH12 ARG 44 HH12 ARG 44 9.936 -8.023 -6.775 305 HH21 ARG 44 HH21 ARG 44 11.180 -5.067 -5.456 306 HH22 ARG 44 HH22 ARG 44 11.448 -6.353 -6.585 307 H ARG 45 HN ARG 45 5.386 -4.338 -6.414 308 HA ARG 45 HA ARG 45 5.035 -1.492 -7.005 309 HB2 ARG 45 HB2 ARG 45 5.254 -3.765 -8.955 310 HB3 ARG 45 HB1 ARG 45 5.422 -2.044 -9.296 311 HG2 ARG 45 HG2 ARG 45 7.267 -3.534 -7.400 312 HG3 ARG 45 HG1 ARG 45 7.609 -3.338 -9.116 313 HD2 ARG 45 HD2 ARG 45 7.444 -0.854 -8.815 314 HD3 ARG 45 HD1 ARG 45 7.257 -1.114 -7.085 315 HE ARG 45 HE ARG 45 9.704 -1.418 -8.623 316 HH11 ARG 45 HH11 ARG 45 7.941 -2.069 -5.714 317 HH12 ARG 45 HH12 ARG 45 9.357 -2.338 -4.754 318 HH21 ARG 45 HH21 ARG 45 11.564 -1.774 -7.367 319 HH22 ARG 45 HH22 ARG 45 11.407 -2.172 -5.690 320 H THR 46 HN THR 46 3.566 -4.294 -8.499 321 HA THR 46 HA THR 46 0.940 -2.921 -8.356 322 HB THR 46 HB THR 46 0.484 -4.258 -10.496 323 HG1 THR 46 HG1 THR 46 3.263 -4.271 -10.778 324 HG21 THR 46 HG21 THR 46 2.363 -2.600 -11.647 325 HG22 THR 46 HG22 THR 46 0.740 -2.108 -11.165 326 HG23 THR 46 HG23 THR 46 2.100 -1.844 -10.075 327 H LEU 47 HN LEU 47 1.847 -6.127 -9.398 328 HA LEU 47 HA LEU 47 0.493 -8.053 -9.130 329 HB2 LEU 47 HB2 LEU 47 1.355 -8.963 -6.854 330 HB3 LEU 47 HB1 LEU 47 2.472 -8.701 -8.188 331 HG LEU 47 HG LEU 47 1.951 -6.404 -6.324 332 HD11 LEU 47 HD11 LEU 47 3.960 -8.558 -5.691 333 HD12 LEU 47 HD12 LEU 47 3.490 -7.170 -4.699 334 HD13 LEU 47 HD13 LEU 47 2.371 -8.474 -4.965 335 HD21 LEU 47 HD21 LEU 47 4.658 -7.201 -7.279 336 HD22 LEU 47 HD22 LEU 47 3.525 -6.689 -8.525 337 HD23 LEU 47 HD23 LEU 47 3.922 -5.602 -7.202 338 H GLN 48 HN GLN 48 0.541 -7.236 -5.698 339 HA GLN 48 HA GLN 48 -2.390 -6.987 -5.704 340 HB2 GLN 48 HB2 GLN 48 -1.275 -9.359 -5.014 341 HB3 GLN 48 HB1 GLN 48 -1.163 -8.511 -3.470 342 HG2 GLN 48 HG2 GLN 48 -3.699 -8.814 -5.103 343 HG3 GLN 48 HG1 GLN 48 -3.289 -9.755 -3.673 344 HE21 GLN 48 HE21 GLN 48 -5.476 -7.636 -4.232 345 HE22 GLN 48 HE22 GLN 48 -5.326 -6.557 -2.932 346 H CYS 49 HN CYS 49 -3.126 -5.558 -4.278 347 HA CYS 49 HA CYS 49 -1.165 -4.220 -2.514 348 HB2 CYS 49 HB2 CYS 49 -1.651 -2.756 -4.268 349 HB3 CYS 49 HB1 CYS 49 -3.360 -3.173 -4.219 350 H SER 50 HN SER 50 -1.671 -3.964 -0.462 351 HA SER 50 HA SER 50 -4.474 -4.158 0.338 352 HB2 SER 50 HB2 SER 50 -2.210 -5.711 1.635 353 HB3 SER 50 HB1 SER 50 -3.857 -5.622 2.251 354 HG SER 50 HG SER 50 -4.216 -6.307 -0.172 355 H CYS 51 HN CYS 51 -4.902 -3.084 2.409 356 HA CYS 51 HA CYS 51 -2.685 -1.345 3.280 357 HB2 CYS 51 HB2 CYS 51 -5.591 -0.530 3.175 358 HB3 CYS 51 HB1 CYS 51 -4.227 0.490 3.621 359 H ARG 52 HN ARG 52 -2.768 -0.637 5.506 360 HA ARG 52 HA ARG 52 -4.663 -1.973 7.296 361 HB2 ARG 52 HB2 ARG 52 -3.003 -3.101 8.607 362 HB3 ARG 52 HB1 ARG 52 -2.744 -3.583 6.931 363 HG2 ARG 52 HG2 ARG 52 -1.023 -1.720 6.780 364 HG3 ARG 52 HG1 ARG 52 -1.177 -1.554 8.530 365 HD2 ARG 52 HD2 ARG 52 -0.529 -3.897 8.831 366 HD3 ARG 52 HD1 ARG 52 -0.399 -4.098 7.087 367 HE ARG 52 HE ARG 52 1.605 -2.881 7.129 368 HH11 ARG 52 HH11 ARG 52 -0.013 -2.854 10.194 369 HH12 ARG 52 HH12 ARG 52 1.335 -2.183 11.050 370 HH21 ARG 52 HH21 ARG 52 3.357 -1.972 8.242 371 HH22 ARG 52 HH22 ARG 52 3.240 -1.682 9.945 372 H ARG 53 HN ARG 53 -4.591 -1.123 9.449 373 HA ARG 53 HA ARG 53 -4.084 1.683 9.476 374 HB2 ARG 53 HB2 ARG 53 -5.955 0.563 10.643 375 HB3 ARG 53 HB1 ARG 53 -4.793 -0.057 11.797 376 HG2 ARG 53 HG2 ARG 53 -4.873 1.886 12.941 377 HG3 ARG 53 HG1 ARG 53 -4.341 2.749 11.513 378 HD2 ARG 53 HD2 ARG 53 -6.547 3.095 10.735 379 HD3 ARG 53 HD1 ARG 53 -7.222 1.954 11.908 380 HE ARG 53 HE ARG 53 -7.108 3.625 13.531 381 HH11 ARG 53 HH11 ARG 53 -5.347 4.481 10.682 382 HH12 ARG 53 HH12 ARG 53 -5.120 6.130 11.155 383 HH21 ARG 53 HH21 ARG 53 -6.842 5.795 14.141 384 HH22 ARG 53 HH22 ARG 53 -5.967 6.876 13.108 385 H VAL 54 HN VAL 54 -2.774 2.857 10.678 386 HA VAL 54 HA VAL 54 -0.845 1.952 12.535 387 HB VAL 54 HB VAL 54 0.041 0.956 10.410 388 HG11 VAL 54 HG11 VAL 54 -0.728 3.403 9.349 389 HG12 VAL 54 HG12 VAL 54 1.026 3.507 9.398 390 HG13 VAL 54 HG13 VAL 54 0.245 2.198 8.556 391 HG21 VAL 54 HG21 VAL 54 1.433 2.632 12.312 392 HG22 VAL 54 HG22 VAL 54 1.984 1.145 11.537 393 HG23 VAL 54 HG23 VAL 54 2.232 2.700 10.741 394 H CYS 55 HN CYS 55 -2.326 3.946 13.094 395 HA CYS 55 HA CYS 55 -2.229 6.139 13.816 396 HB2 CYS 55 HB2 CYS 55 -0.234 7.199 13.928 397 HB3 CYS 55 HB1 CYS 55 0.453 5.736 13.228 398 H ARG 56 HN ARG 56 -2.560 4.970 10.813 399 HA ARG 56 HA ARG 56 -4.272 6.978 9.864 400 HB2 ARG 56 HB2 ARG 56 -1.599 7.710 9.574 401 HB3 ARG 56 HB1 ARG 56 -2.064 7.063 8.000 402 HG2 ARG 56 HG2 ARG 56 -2.570 9.393 7.897 403 HG3 ARG 56 HG1 ARG 56 -4.122 8.598 8.144 404 HD2 ARG 56 HD2 ARG 56 -4.009 9.105 10.556 405 HD3 ARG 56 HD1 ARG 56 -2.432 9.850 10.339 406 HE ARG 56 HE ARG 56 -3.502 11.716 9.412 407 HH11 ARG 56 HH11 ARG 56 -5.657 9.041 9.828 408 HH12 ARG 56 HH12 ARG 56 -7.090 9.970 9.544 409 HH21 ARG 56 HH21 ARG 56 -5.379 12.950 9.060 410 HH22 ARG 56 HH22 ARG 56 -6.932 12.186 9.109 411 H ASN 57 HN ASN 57 -1.814 4.941 8.630 412 HA ASN 57 HA ASN 57 -3.234 2.798 7.702 413 HB2 ASN 57 HB2 ASN 57 -3.540 5.179 6.025 414 HB3 ASN 57 HB1 ASN 57 -3.069 3.725 5.166 415 HD21 ASN 57 HD21 ASN 57 -5.770 5.351 5.702 416 HD22 ASN 57 HD22 ASN 57 -6.880 4.095 5.972 417 H THR 58 HN THR 58 -2.121 1.564 5.987 418 HA THR 58 HA THR 58 0.634 2.268 5.235 419 HB THR 58 HB THR 58 0.869 -0.399 6.008 420 HG1 THR 58 HG1 THR 58 -0.981 0.101 7.379 421 HG21 THR 58 HG21 THR 58 2.772 0.946 6.085 422 HG22 THR 58 HG22 THR 58 1.990 2.189 7.067 423 HG23 THR 58 HG23 THR 58 2.436 0.645 7.791 424 H CYS 59 HN CYS 59 1.533 0.895 3.758 425 HA CYS 59 HA CYS 59 -0.532 -0.463 2.163 426 HB2 CYS 59 HB2 CYS 59 1.631 0.147 0.594 427 HB3 CYS 59 HB1 CYS 59 0.119 1.011 0.594 428 H SER 60 HN SER 60 -0.278 -2.505 1.773 429 HA SER 60 HA SER 60 2.410 -3.698 1.941 430 HB2 SER 60 HB2 SER 60 -0.206 -4.940 2.825 431 HB3 SER 60 HB1 SER 60 1.346 -5.772 2.771 432 HG SER 60 HG SER 60 0.609 -3.531 4.350 433 H CYS 61 HN CYS 61 2.956 -4.228 -0.094 434 HA CYS 61 HA CYS 61 0.825 -5.290 -1.828 435 HB2 CYS 61 HB2 CYS 61 3.262 -4.287 -3.153 436 HB3 CYS 61 HB1 CYS 61 1.583 -4.105 -3.628 437 H ILE 62 HN ILE 62 1.035 -7.365 -2.308 438 HA ILE 62 HA ILE 62 3.608 -8.560 -2.834 439 HB ILE 62 HB ILE 62 3.097 -10.300 -0.889 440 HG12 ILE 62 HG12 ILE 62 2.285 -9.193 1.129 441 HG13 ILE 62 HG11 ILE 62 2.051 -7.694 0.238 442 HG21 ILE 62 HG21 ILE 62 4.345 -7.777 0.123 443 HG22 ILE 62 HG22 ILE 62 4.915 -9.438 0.254 444 HG23 ILE 62 HG23 ILE 62 5.114 -8.562 -1.256 445 HD11 ILE 62 HD11 ILE 62 0.003 -9.246 0.610 446 HD12 ILE 62 HD12 ILE 62 0.243 -8.556 -0.988 447 HD13 ILE 62 HD13 ILE 62 0.708 -10.232 -0.662 448 H ARG 63 HN ARG 63 3.512 -10.676 -3.595 449 HA ARG 63 HA ARG 63 0.951 -11.351 -4.760 450 HB2 ARG 63 HB2 ARG 63 2.229 -13.163 -5.889 451 HB3 ARG 63 HB1 ARG 63 2.920 -11.563 -6.152 452 HG2 ARG 63 HG2 ARG 63 4.589 -11.963 -4.409 453 HG3 ARG 63 HG1 ARG 63 3.869 -13.534 -4.053 454 HD2 ARG 63 HD2 ARG 63 4.457 -14.384 -6.222 455 HD3 ARG 63 HD1 ARG 63 4.934 -12.785 -6.786 456 HE ARG 63 HE ARG 63 6.513 -13.381 -4.558 457 HH11 ARG 63 HH11 ARG 63 5.904 -14.558 -7.754 458 HH12 ARG 63 HH12 ARG 63 7.507 -15.174 -7.983 459 HH21 ARG 63 HH21 ARG 63 8.620 -14.187 -4.851 460 HH22 ARG 63 HH22 ARG 63 9.043 -14.965 -6.341 461 H LEU 64 HN LEU 64 1.962 -11.717 -1.791 462 HA LEU 64 HA LEU 64 1.381 -14.551 -1.405 463 HB2 LEU 64 HB2 LEU 64 1.988 -12.386 0.622 464 HB3 LEU 64 HB1 LEU 64 1.896 -14.115 0.953 465 HG LEU 64 HG LEU 64 3.846 -12.805 -0.968 466 HD11 LEU 64 HD11 LEU 64 5.338 -13.981 0.986 467 HD12 LEU 64 HD12 LEU 64 4.878 -12.279 0.994 468 HD13 LEU 64 HD13 LEU 64 3.937 -13.452 1.917 469 HD21 LEU 64 HD21 LEU 64 4.877 -15.230 -0.551 470 HD22 LEU 64 HD22 LEU 64 3.189 -15.638 -0.249 471 HD23 LEU 64 HD23 LEU 64 3.667 -14.960 -1.804 472 H SER 65 HN SER 65 0.048 -14.707 0.896 473 HA SER 65 HA SER 65 -2.641 -13.855 0.133 474 HB2 SER 65 HB2 SER 65 -3.382 -15.426 1.872 475 HB3 SER 65 HB1 SER 65 -2.279 -16.203 0.742 476 HG SER 65 HG SER 65 -1.876 -16.534 3.062 477 H ARG 66 HN ARG 66 -0.713 -11.907 1.200 478 HA ARG 66 HA ARG 66 -0.699 -10.110 2.624 479 HB2 ARG 66 HB2 ARG 66 -3.532 -10.976 3.260 480 HB3 ARG 66 HB1 ARG 66 -2.816 -9.412 3.628 481 HG2 ARG 66 HG2 ARG 66 -2.449 -9.000 1.226 482 HG3 ARG 66 HG1 ARG 66 -3.170 -10.565 0.848 483 HD2 ARG 66 HD2 ARG 66 -5.273 -9.822 1.972 484 HD3 ARG 66 HD1 ARG 66 -4.549 -8.233 2.209 485 HE ARG 66 HE ARG 66 -4.373 -8.877 -0.524 486 HH11 ARG 66 HH11 ARG 66 -6.720 -8.207 1.930 487 HH12 ARG 66 HH12 ARG 66 -7.878 -7.534 0.831 488 HH21 ARG 66 HH21 ARG 66 -5.891 -8.003 -1.970 489 HH22 ARG 66 HH22 ARG 66 -7.409 -7.418 -1.376 490 H SER 67 HN SER 67 -1.914 -9.772 5.141 491 HA SER 67 HA SER 67 -1.458 -10.165 7.352 492 HB2 SER 67 HB2 SER 67 -1.531 -13.040 6.418 493 HB3 SER 67 HB1 SER 67 -1.609 -12.511 8.095 494 HG SER 67 HG SER 67 -3.625 -12.867 6.589 495 H THR 68 HN THR 68 0.765 -9.813 5.435 496 HA THR 68 HA THR 68 2.915 -11.542 6.033 497 HB THR 68 HB THR 68 2.961 -8.632 5.199 498 HG1 THR 68 HG1 THR 68 3.585 -10.675 3.457 499 HG21 THR 68 HG21 THR 68 5.069 -10.686 5.657 500 HG22 THR 68 HG22 THR 68 5.239 -9.668 4.226 501 HG23 THR 68 HG23 THR 68 5.151 -8.932 5.827 502 H TYR 69 HN TYR 69 1.947 -8.427 7.463 503 HA TYR 69 HA TYR 69 3.878 -8.893 9.643 504 HB2 TYR 69 HB2 TYR 69 4.261 -6.762 8.658 505 HB3 TYR 69 HB1 TYR 69 2.538 -6.385 8.633 506 HD1 TYR 69 HD1 TYR 69 5.059 -7.557 11.161 507 HD2 TYR 69 HD2 TYR 69 1.834 -4.860 10.261 508 HE1 TYR 69 HE1 TYR 69 5.257 -6.562 13.423 509 HE2 TYR 69 HE2 TYR 69 2.029 -3.876 12.526 510 HH TYR 69 HH TYR 69 4.151 -5.263 14.961 511 H ALA 70 HN ALA 70 0.527 -7.886 9.039 512 HA ALA 70 HA ALA 70 -0.247 -9.144 11.570 513 HB1 ALA 70 HB1 ALA 70 -1.695 -7.121 12.071 514 HB2 ALA 70 HB2 ALA 70 0.039 -6.882 12.282 515 HB3 ALA 70 HB3 ALA 70 -0.768 -6.258 10.844 516 H SER 71 HN SER 71 -2.404 -9.828 11.627 517 HA SER 71 HA SER 71 -3.622 -10.148 8.996 518 HB2 SER 71 HB2 SER 71 -4.703 -11.229 11.589 519 HB3 SER 71 HB1 SER 71 -4.924 -11.860 9.960 520 HG SER 71 HG SER 71 -2.976 -12.736 10.022 Start of MODEL 14 1 H LEU 1 HN LEU 1 -12.310 7.004 -6.752 2 HA LEU 1 HA LEU 1 -11.223 4.377 -7.082 3 HB2 LEU 1 HB2 LEU 1 -9.809 6.900 -6.183 4 HB3 LEU 1 HB1 LEU 1 -9.055 5.456 -6.859 5 HG LEU 1 HG LEU 1 -11.051 7.230 -8.298 6 HD11 LEU 1 HD11 LEU 1 -8.531 7.081 -9.606 7 HD12 LEU 1 HD12 LEU 1 -9.278 8.494 -8.859 8 HD13 LEU 1 HD13 LEU 1 -8.215 7.454 -7.912 9 HD21 LEU 1 HD21 LEU 1 -11.355 5.168 -9.316 10 HD22 LEU 1 HD22 LEU 1 -9.982 5.766 -10.246 11 HD23 LEU 1 HD23 LEU 1 -9.725 4.618 -8.932 12 H ARG 2 HN ARG 2 -9.923 3.203 -5.597 13 HA ARG 2 HA ARG 2 -10.376 3.859 -2.752 14 HB2 ARG 2 HB2 ARG 2 -10.518 1.121 -4.040 15 HB3 ARG 2 HB1 ARG 2 -10.652 1.446 -2.313 16 HG2 ARG 2 HG2 ARG 2 -12.490 2.813 -4.272 17 HG3 ARG 2 HG1 ARG 2 -12.847 1.183 -3.705 18 HD2 ARG 2 HD2 ARG 2 -12.686 2.031 -1.347 19 HD3 ARG 2 HD1 ARG 2 -12.493 3.658 -1.984 20 HE ARG 2 HE ARG 2 -14.806 2.605 -3.125 21 HH11 ARG 2 HH11 ARG 2 -13.514 3.409 -0.016 22 HH12 ARG 2 HH12 ARG 2 -15.054 3.791 0.679 23 HH21 ARG 2 HH21 ARG 2 -16.828 3.100 -2.219 24 HH22 ARG 2 HH22 ARG 2 -16.929 3.616 -0.569 25 H VAL 3 HN VAL 3 -8.746 3.359 -1.328 26 HA VAL 3 HA VAL 3 -6.112 3.351 -2.408 27 HB VAL 3 HB VAL 3 -6.927 4.352 -0.166 28 HG11 VAL 3 HG11 VAL 3 -7.104 2.952 1.686 29 HG12 VAL 3 HG12 VAL 3 -7.804 1.938 0.424 30 HG13 VAL 3 HG13 VAL 3 -6.140 1.680 0.943 31 HG21 VAL 3 HG21 VAL 3 -4.389 2.685 -0.268 32 HG22 VAL 3 HG22 VAL 3 -4.571 4.316 -0.910 33 HG23 VAL 3 HG23 VAL 3 -4.685 4.035 0.829 34 H ARG 4 HN ARG 4 -8.326 0.896 -1.741 35 HA ARG 4 HA ARG 4 -6.181 -1.150 -1.711 36 HB2 ARG 4 HB2 ARG 4 -7.453 -1.299 0.297 37 HB3 ARG 4 HB1 ARG 4 -8.971 -1.227 -0.589 38 HG2 ARG 4 HG2 ARG 4 -8.603 -3.391 -1.559 39 HG3 ARG 4 HG1 ARG 4 -6.941 -3.422 -0.983 40 HD2 ARG 4 HD2 ARG 4 -9.335 -3.304 0.850 41 HD3 ARG 4 HD1 ARG 4 -8.550 -4.807 0.369 42 HE ARG 4 HE ARG 4 -6.567 -3.099 1.371 43 HH11 ARG 4 HH11 ARG 4 -9.419 -4.760 2.406 44 HH12 ARG 4 HH12 ARG 4 -8.881 -4.955 4.041 45 HH21 ARG 4 HH21 ARG 4 -5.852 -3.349 3.513 46 HH22 ARG 4 HH22 ARG 4 -6.860 -4.156 4.668 47 H ARG 5 HN ARG 5 -5.919 -1.881 -3.670 48 HA ARG 5 HA ARG 5 -8.163 -3.048 -5.108 49 HB2 ARG 5 HB2 ARG 5 -6.503 -0.866 -6.380 50 HB3 ARG 5 HB1 ARG 5 -7.707 -1.856 -7.202 51 HG2 ARG 5 HG2 ARG 5 -9.410 -1.019 -5.543 52 HG3 ARG 5 HG1 ARG 5 -8.193 0.116 -4.962 53 HD2 ARG 5 HD2 ARG 5 -9.547 1.261 -6.574 54 HD3 ARG 5 HD1 ARG 5 -7.966 0.977 -7.296 55 HE ARG 5 HE ARG 5 -8.973 -0.473 -8.819 56 HH11 ARG 5 HH11 ARG 5 -11.106 0.309 -6.207 57 HH12 ARG 5 HH12 ARG 5 -12.495 -0.418 -6.943 58 HH21 ARG 5 HH21 ARG 5 -10.789 -1.426 -9.788 59 HH22 ARG 5 HH22 ARG 5 -12.316 -1.400 -8.971 60 H THR 6 HN THR 6 -6.675 -3.187 -7.631 61 HA THR 6 HA THR 6 -4.303 -4.744 -6.920 62 HB THR 6 HB THR 6 -5.112 -6.564 -8.453 63 HG1 THR 6 HG1 THR 6 -6.948 -4.892 -9.011 64 HG21 THR 6 HG21 THR 6 -6.557 -7.599 -6.734 65 HG22 THR 6 HG22 THR 6 -5.165 -6.804 -6.003 66 HG23 THR 6 HG23 THR 6 -6.745 -6.028 -5.957 67 H LEU 7 HN LEU 7 -3.330 -2.870 -7.929 68 HA LEU 7 HA LEU 7 -2.943 -3.232 -10.783 69 HB2 LEU 7 HB2 LEU 7 -3.293 -0.602 -10.955 70 HB3 LEU 7 HB1 LEU 7 -4.626 -1.741 -11.162 71 HG LEU 7 HG LEU 7 -4.197 -1.078 -8.335 72 HD11 LEU 7 HD11 LEU 7 -4.683 1.159 -10.274 73 HD12 LEU 7 HD12 LEU 7 -5.127 1.210 -8.561 74 HD13 LEU 7 HD13 LEU 7 -3.443 1.018 -9.026 75 HD21 LEU 7 HD21 LEU 7 -6.654 -0.413 -8.638 76 HD22 LEU 7 HD22 LEU 7 -6.493 -0.901 -10.314 77 HD23 LEU 7 HD23 LEU 7 -6.274 -2.089 -9.030 78 H GLN 8 HN GLN 8 -2.310 -0.123 -9.405 79 HA GLN 8 HA GLN 8 0.558 -0.765 -9.283 80 HB2 GLN 8 HB2 GLN 8 -0.705 1.184 -10.806 81 HB3 GLN 8 HB1 GLN 8 -0.166 2.076 -9.382 82 HG2 GLN 8 HG2 GLN 8 2.098 0.987 -9.688 83 HG3 GLN 8 HG1 GLN 8 1.522 0.402 -11.247 84 HE21 GLN 8 HE21 GLN 8 3.648 2.485 -10.569 85 HE22 GLN 8 HE22 GLN 8 3.181 3.863 -11.443 86 H CYS 9 HN CYS 9 1.466 -0.639 -7.387 87 HA CYS 9 HA CYS 9 0.045 0.694 -5.186 88 HB2 CYS 9 HB2 CYS 9 0.029 -1.648 -4.886 89 HB3 CYS 9 HB1 CYS 9 1.747 -1.782 -5.257 90 H SER 10 HN SER 10 0.955 2.389 -4.306 91 HA SER 10 HA SER 10 3.892 2.510 -4.190 92 HB2 SER 10 HB2 SER 10 2.068 4.784 -5.003 93 HB3 SER 10 HB1 SER 10 3.798 4.921 -4.699 94 HG SER 10 HG SER 10 3.146 2.877 -6.398 95 H CYS 11 HN CYS 11 4.723 3.385 -2.323 96 HA CYS 11 HA CYS 11 2.776 4.334 -0.321 97 HB2 CYS 11 HB2 CYS 11 5.142 2.701 0.483 98 HB3 CYS 11 HB1 CYS 11 3.586 2.892 1.298 99 H ARG 12 HN ARG 12 3.694 5.621 1.401 100 HA ARG 12 HA ARG 12 6.416 6.685 0.924 101 HB2 ARG 12 HB2 ARG 12 5.695 8.999 0.779 102 HB3 ARG 12 HB1 ARG 12 4.887 8.071 -0.484 103 HG2 ARG 12 HG2 ARG 12 2.896 7.849 1.008 104 HG3 ARG 12 HG1 ARG 12 3.703 8.888 2.181 105 HD2 ARG 12 HD2 ARG 12 3.183 9.722 -0.671 106 HD3 ARG 12 HD1 ARG 12 2.087 10.082 0.660 107 HE ARG 12 HE ARG 12 4.620 10.956 1.441 108 HH11 ARG 12 HH11 ARG 12 2.276 11.568 -1.031 109 HH12 ARG 12 HH12 ARG 12 2.711 13.233 -1.225 110 HH21 ARG 12 HH21 ARG 12 5.195 13.141 1.193 111 HH22 ARG 12 HH22 ARG 12 4.363 14.124 0.034 112 H ARG 13 HN ARG 13 7.354 7.585 2.753 113 HA ARG 13 HA ARG 13 6.567 6.696 5.270 114 HB2 ARG 13 HB2 ARG 13 8.804 7.450 4.805 115 HB3 ARG 13 HB1 ARG 13 8.217 9.098 4.615 116 HG2 ARG 13 HG2 ARG 13 7.613 9.266 6.900 117 HG3 ARG 13 HG1 ARG 13 7.738 7.524 7.141 118 HD2 ARG 13 HD2 ARG 13 10.112 7.582 6.880 119 HD3 ARG 13 HD1 ARG 13 10.091 9.278 6.398 120 HE ARG 13 HE ARG 13 8.928 9.181 8.915 121 HH11 ARG 13 HH11 ARG 13 11.938 8.296 7.451 122 HH12 ARG 13 HH12 ARG 13 12.873 8.571 8.883 123 HH21 ARG 13 HH21 ARG 13 10.148 9.545 10.794 124 HH22 ARG 13 HH22 ARG 13 11.860 9.278 10.775 125 H VAL 14 HN VAL 14 5.802 7.854 7.091 126 HA VAL 14 HA VAL 14 4.736 10.345 7.347 127 HB VAL 14 HB VAL 14 3.365 9.985 5.413 128 HG11 VAL 14 HG11 VAL 14 2.711 7.384 6.782 129 HG12 VAL 14 HG12 VAL 14 1.569 8.124 5.660 130 HG13 VAL 14 HG13 VAL 14 3.178 7.704 5.118 131 HG21 VAL 14 HG21 VAL 14 1.279 9.557 7.409 132 HG22 VAL 14 HG22 VAL 14 2.426 10.838 7.797 133 HG23 VAL 14 HG23 VAL 14 1.521 10.895 6.282 134 H CYS 15 HN CYS 15 5.712 9.104 9.300 135 HA CYS 15 HA CYS 15 5.314 8.457 11.460 136 HB2 CYS 15 HB2 CYS 15 3.449 9.338 12.324 137 HB3 CYS 15 HB1 CYS 15 2.797 9.575 10.707 138 H ARG 16 HN ARG 16 4.060 6.819 8.800 139 HA ARG 16 HA ARG 16 4.842 4.280 9.671 140 HB2 ARG 16 HB2 ARG 16 2.426 5.052 10.833 141 HB3 ARG 16 HB1 ARG 16 1.951 4.051 9.460 142 HG2 ARG 16 HG2 ARG 16 2.272 2.443 11.206 143 HG3 ARG 16 HG1 ARG 16 3.790 2.392 10.324 144 HD2 ARG 16 HD2 ARG 16 4.895 3.754 11.957 145 HD3 ARG 16 HD1 ARG 16 3.378 4.171 12.748 146 HE ARG 16 HE ARG 16 3.657 1.378 12.831 147 HH11 ARG 16 HH11 ARG 16 5.164 4.258 14.019 148 HH12 ARG 16 HH12 ARG 16 5.752 3.517 15.470 149 HH21 ARG 16 HH21 ARG 16 4.424 0.400 14.731 150 HH22 ARG 16 HH22 ARG 16 5.333 1.333 15.873 151 H ASN 17 HN ASN 17 4.860 5.943 7.336 152 HA ASN 17 HA ASN 17 4.655 5.782 5.095 153 HB2 ASN 17 HB2 ASN 17 5.068 3.185 6.029 154 HB3 ASN 17 HB1 ASN 17 3.804 3.095 4.819 155 HD21 ASN 17 HD21 ASN 17 4.714 2.626 2.811 156 HD22 ASN 17 HD22 ASN 17 6.173 3.268 2.226 157 H THR 18 HN THR 18 3.122 5.892 3.467 158 HA THR 18 HA THR 18 0.319 5.620 4.321 159 HB THR 18 HB THR 18 0.630 7.254 1.955 160 HG1 THR 18 HG1 THR 18 2.672 7.571 3.310 161 HG21 THR 18 HG21 THR 18 -0.594 8.892 3.412 162 HG22 THR 18 HG22 THR 18 -1.358 7.311 3.278 163 HG23 THR 18 HG23 THR 18 -0.466 7.738 4.737 164 H CYS 19 HN CYS 19 -1.223 5.001 2.696 165 HA CYS 19 HA CYS 19 -0.020 3.186 0.693 166 HB2 CYS 19 HB2 CYS 19 -1.399 2.260 2.616 167 HB3 CYS 19 HB1 CYS 19 -2.796 3.049 1.897 168 H SER 20 HN SER 20 -0.280 3.710 -1.356 169 HA SER 20 HA SER 20 -2.762 5.017 -2.211 170 HB2 SER 20 HB2 SER 20 0.014 6.045 -2.854 171 HB3 SER 20 HB1 SER 20 -1.480 6.630 -3.586 172 HG SER 20 HG SER 20 -1.636 6.554 -0.877 173 H CYS 21 HN CYS 21 -3.539 3.514 -3.576 174 HA CYS 21 HA CYS 21 -1.695 2.417 -5.596 175 HB2 CYS 21 HB2 CYS 21 -4.129 1.086 -4.407 176 HB3 CYS 21 HB1 CYS 21 -3.117 0.404 -5.677 177 H ILE 22 HN ILE 22 -2.132 2.890 -7.626 178 HA ILE 22 HA ILE 22 -4.869 3.450 -8.506 179 HB ILE 22 HB ILE 22 -3.889 5.715 -9.482 180 HG12 ILE 22 HG12 ILE 22 -2.416 6.814 -7.848 181 HG13 ILE 22 HG11 ILE 22 -2.368 5.344 -6.876 182 HG21 ILE 22 HG21 ILE 22 -4.754 5.553 -6.583 183 HG22 ILE 22 HG22 ILE 22 -4.989 6.897 -7.689 184 HG23 ILE 22 HG23 ILE 22 -5.884 5.395 -7.932 185 HD11 ILE 22 HD11 ILE 22 -0.429 5.811 -8.570 186 HD12 ILE 22 HD12 ILE 22 -1.098 4.179 -8.475 187 HD13 ILE 22 HD13 ILE 22 -1.586 5.263 -9.779 188 H ARG 23 HN ARG 23 -4.959 3.984 -10.860 189 HA ARG 23 HA ARG 23 -2.908 2.413 -12.254 190 HB2 ARG 23 HB2 ARG 23 -4.511 2.225 -14.056 191 HB3 ARG 23 HB1 ARG 23 -5.324 1.835 -12.540 192 HG2 ARG 23 HG2 ARG 23 -6.032 4.285 -12.445 193 HG3 ARG 23 HG1 ARG 23 -5.481 4.409 -14.117 194 HD2 ARG 23 HD2 ARG 23 -7.850 3.930 -14.152 195 HD3 ARG 23 HD1 ARG 23 -6.994 2.485 -14.687 196 HE ARG 23 HE ARG 23 -7.427 2.400 -11.872 197 HH11 ARG 23 HH11 ARG 23 -9.005 2.112 -14.938 198 HH12 ARG 23 HH12 ARG 23 -10.237 1.040 -14.358 199 HH21 ARG 23 HH21 ARG 23 -9.039 0.996 -11.104 200 HH22 ARG 23 HH22 ARG 23 -10.257 0.409 -12.188 201 H LEU 24 HN LEU 24 -3.125 5.466 -11.397 202 HA LEU 24 HA LEU 24 -2.380 6.604 -14.014 203 HB2 LEU 24 HB2 LEU 24 -3.115 8.011 -11.436 204 HB3 LEU 24 HB1 LEU 24 -2.788 8.790 -12.984 205 HG LEU 24 HG LEU 24 -5.003 6.775 -12.485 206 HD11 LEU 24 HD11 LEU 24 -6.484 8.773 -12.810 207 HD12 LEU 24 HD12 LEU 24 -5.498 8.865 -11.350 208 HD13 LEU 24 HD13 LEU 24 -5.045 9.793 -12.779 209 HD21 LEU 24 HD21 LEU 24 -4.604 6.576 -14.761 210 HD22 LEU 24 HD22 LEU 24 -5.703 7.955 -14.769 211 HD23 LEU 24 HD23 LEU 24 -3.964 8.213 -14.903 212 H SER 25 HN SER 25 -0.527 7.955 -14.175 213 HA SER 25 HA SER 25 1.783 6.910 -12.954 214 HB2 SER 25 HB2 SER 25 1.350 9.548 -14.371 215 HB3 SER 25 HB1 SER 25 2.926 8.893 -13.937 216 HG SER 25 HG SER 25 2.572 7.181 -15.300 217 H ARG 26 HN ARG 26 -0.174 9.770 -12.223 218 HA ARG 26 HA ARG 26 1.542 10.860 -10.250 219 HB2 ARG 26 HB2 ARG 26 -1.440 11.129 -10.689 220 HB3 ARG 26 HB1 ARG 26 -0.534 12.067 -9.501 221 HG2 ARG 26 HG2 ARG 26 0.908 12.956 -11.289 222 HG3 ARG 26 HG1 ARG 26 0.019 12.009 -12.482 223 HD2 ARG 26 HD2 ARG 26 -2.049 13.217 -11.916 224 HD3 ARG 26 HD1 ARG 26 -1.179 14.152 -10.704 225 HE ARG 26 HE ARG 26 -0.258 15.437 -12.418 226 HH11 ARG 26 HH11 ARG 26 -1.787 12.584 -13.641 227 HH12 ARG 26 HH12 ARG 26 -1.680 13.070 -15.299 228 HH21 ARG 26 HH21 ARG 26 -0.114 16.082 -14.592 229 HH22 ARG 26 HH22 ARG 26 -0.734 15.050 -15.838 230 H SER 27 HN SER 27 1.630 10.597 -8.055 231 HA SER 27 HA SER 27 0.950 8.085 -6.973 232 HB2 SER 27 HB2 SER 27 1.663 9.039 -4.824 233 HB3 SER 27 HB1 SER 27 2.800 9.448 -6.106 234 HG SER 27 HG SER 27 0.935 11.047 -4.755 235 H THR 28 HN THR 28 -0.666 11.181 -6.922 236 HA THR 28 HA THR 28 -2.821 11.763 -6.356 237 HB THR 28 HB THR 28 -3.520 8.888 -5.881 238 HG1 THR 28 HG1 THR 28 -2.820 10.134 -8.311 239 HG21 THR 28 HG21 THR 28 -5.210 10.684 -5.620 240 HG22 THR 28 HG22 THR 28 -4.916 11.181 -7.287 241 HG23 THR 28 HG23 THR 28 -5.609 9.596 -6.949 242 H TYR 29 HN TYR 29 -0.932 11.922 -4.377 243 HA TYR 29 HA TYR 29 -1.500 10.558 -1.987 244 HB2 TYR 29 HB2 TYR 29 0.540 11.779 -2.132 245 HB3 TYR 29 HB1 TYR 29 -0.305 13.279 -2.518 246 HD1 TYR 29 HD1 TYR 29 -0.131 10.653 0.162 247 HD2 TYR 29 HD2 TYR 29 -0.819 14.780 -0.802 248 HE1 TYR 29 HE1 TYR 29 -0.306 11.184 2.571 249 HE2 TYR 29 HE2 TYR 29 -1.000 15.311 1.610 250 HH TYR 29 HH TYR 29 -0.986 12.767 4.056 251 H ALA 30 HN ALA 30 -2.653 13.719 -3.140 252 HA ALA 30 HA ALA 30 -4.347 14.180 -0.903 253 HB1 ALA 30 HB1 ALA 30 -4.789 16.178 -1.896 254 HB2 ALA 30 HB2 ALA 30 -3.429 15.740 -2.928 255 HB3 ALA 30 HB3 ALA 30 -5.080 15.444 -3.473 256 H SER 31 HN SER 31 -6.533 13.848 -0.640 257 HA SER 31 HA SER 31 -8.116 12.683 -2.782 258 HB2 SER 31 HB2 SER 31 -8.189 11.068 -0.300 259 HB3 SER 31 HB1 SER 31 -8.351 10.565 -1.980 260 HG SER 31 HG SER 31 -6.330 10.028 -0.731 261 H LEU 41 HN LEU 41 10.796 -5.541 1.252 262 HA LEU 41 HA LEU 41 10.924 -2.625 0.834 263 HB2 LEU 41 HB2 LEU 41 13.006 -4.551 0.194 264 HB3 LEU 41 HB1 LEU 41 12.447 -3.693 -1.242 265 HG LEU 41 HG LEU 41 12.783 -1.537 -0.090 266 HD11 LEU 41 HD11 LEU 41 14.381 -2.144 2.094 267 HD12 LEU 41 HD12 LEU 41 12.699 -1.621 2.171 268 HD13 LEU 41 HD13 LEU 41 13.090 -3.341 2.200 269 HD21 LEU 41 HD21 LEU 41 14.640 -2.570 -1.391 270 HD22 LEU 41 HD22 LEU 41 15.234 -1.580 -0.058 271 HD23 LEU 41 HD23 LEU 41 15.220 -3.339 0.086 272 H ARG 42 HN ARG 42 9.168 -5.259 0.416 273 HA ARG 42 HA ARG 42 8.428 -4.728 -2.384 274 HB2 ARG 42 HB2 ARG 42 7.771 -7.043 -0.551 275 HB3 ARG 42 HB1 ARG 42 7.157 -6.869 -2.196 276 HG2 ARG 42 HG2 ARG 42 9.478 -6.824 -3.050 277 HG3 ARG 42 HG1 ARG 42 10.082 -7.027 -1.406 278 HD2 ARG 42 HD2 ARG 42 8.810 -9.171 -1.250 279 HD3 ARG 42 HD1 ARG 42 8.333 -8.975 -2.934 280 HE ARG 42 HE ARG 42 10.950 -9.766 -1.956 281 HH11 ARG 42 HH11 ARG 42 9.067 -8.457 -4.546 282 HH12 ARG 42 HH12 ARG 42 10.199 -8.903 -5.778 283 HH21 ARG 42 HH21 ARG 42 12.438 -10.355 -3.564 284 HH22 ARG 42 HH22 ARG 42 12.108 -9.978 -5.222 285 H VAL 43 HN VAL 43 7.718 -3.184 0.142 286 HA VAL 43 HA VAL 43 4.950 -3.532 0.636 287 HB VAL 43 HB VAL 43 6.701 -2.220 2.031 288 HG11 VAL 43 HG11 VAL 43 7.078 0.034 1.492 289 HG12 VAL 43 HG12 VAL 43 7.165 -0.761 -0.080 290 HG13 VAL 43 HG13 VAL 43 5.702 0.095 0.395 291 HG21 VAL 43 HG21 VAL 43 3.824 -1.708 1.568 292 HG22 VAL 43 HG22 VAL 43 4.682 -2.075 3.064 293 HG23 VAL 43 HG23 VAL 43 4.684 -0.431 2.429 294 H ARG 44 HN ARG 44 6.481 -2.561 -2.119 295 HA ARG 44 HA ARG 44 4.020 -1.374 -3.169 296 HB2 ARG 44 HB2 ARG 44 5.220 0.491 -4.200 297 HB3 ARG 44 HB1 ARG 44 5.399 0.541 -2.448 298 HG2 ARG 44 HG2 ARG 44 7.591 -0.653 -2.699 299 HG3 ARG 44 HG1 ARG 44 7.421 -0.513 -4.449 300 HD2 ARG 44 HD2 ARG 44 7.301 1.946 -4.234 301 HD3 ARG 44 HD1 ARG 44 7.505 1.797 -2.491 302 HE ARG 44 HE ARG 44 9.570 1.508 -4.506 303 HH11 ARG 44 HH11 ARG 44 8.509 0.795 -1.290 304 HH12 ARG 44 HH12 ARG 44 10.108 0.564 -0.665 305 HH21 ARG 44 HH21 ARG 44 11.670 1.205 -3.694 306 HH22 ARG 44 HH22 ARG 44 11.898 0.797 -2.026 307 H ARG 45 HN ARG 45 3.814 -1.516 -5.445 308 HA ARG 45 HA ARG 45 5.596 -2.263 -7.354 309 HB2 ARG 45 HB2 ARG 45 5.084 -4.511 -5.504 310 HB3 ARG 45 HB1 ARG 45 4.886 -4.899 -7.187 311 HG2 ARG 45 HG2 ARG 45 7.035 -4.603 -7.744 312 HG3 ARG 45 HG1 ARG 45 7.340 -3.382 -6.512 313 HD2 ARG 45 HD2 ARG 45 7.301 -5.077 -4.774 314 HD3 ARG 45 HD1 ARG 45 6.851 -6.315 -5.946 315 HE ARG 45 HE ARG 45 9.067 -6.382 -6.658 316 HH11 ARG 45 HH11 ARG 45 8.454 -3.621 -4.659 317 HH12 ARG 45 HH12 ARG 45 10.123 -3.181 -4.518 318 HH21 ARG 45 HH21 ARG 45 11.256 -5.810 -6.475 319 HH22 ARG 45 HH22 ARG 45 11.710 -4.421 -5.546 320 H THR 46 HN THR 46 3.898 -4.694 -8.216 321 HA THR 46 HA THR 46 1.415 -3.343 -8.857 322 HB THR 46 HB THR 46 1.808 -4.274 -11.246 323 HG1 THR 46 HG1 THR 46 3.967 -5.083 -10.177 324 HG21 THR 46 HG21 THR 46 3.059 -1.825 -10.026 325 HG22 THR 46 HG22 THR 46 3.199 -2.140 -11.754 326 HG23 THR 46 HG23 THR 46 1.609 -1.942 -11.021 327 H LEU 47 HN LEU 47 0.682 -4.949 -7.320 328 HA LEU 47 HA LEU 47 -0.117 -7.406 -8.648 329 HB2 LEU 47 HB2 LEU 47 0.577 -8.644 -6.421 330 HB3 LEU 47 HB1 LEU 47 1.722 -8.432 -7.749 331 HG LEU 47 HG LEU 47 1.703 -6.105 -5.971 332 HD11 LEU 47 HD11 LEU 47 2.237 -8.821 -4.821 333 HD12 LEU 47 HD12 LEU 47 2.948 -7.339 -4.179 334 HD13 LEU 47 HD13 LEU 47 1.201 -7.532 -4.200 335 HD21 LEU 47 HD21 LEU 47 3.805 -8.139 -6.819 336 HD22 LEU 47 HD22 LEU 47 3.453 -6.614 -7.641 337 HD23 LEU 47 HD23 LEU 47 4.127 -6.610 -6.017 338 H GLN 48 HN GLN 48 -0.118 -7.365 -5.204 339 HA GLN 48 HA GLN 48 -2.993 -6.755 -5.194 340 HB2 GLN 48 HB2 GLN 48 -1.790 -9.085 -4.345 341 HB3 GLN 48 HB1 GLN 48 -1.900 -8.151 -2.850 342 HG2 GLN 48 HG2 GLN 48 -4.291 -7.769 -3.256 343 HG3 GLN 48 HG1 GLN 48 -4.194 -8.710 -4.743 344 HE21 GLN 48 HE21 GLN 48 -5.960 -9.885 -3.237 345 HE22 GLN 48 HE22 GLN 48 -5.347 -11.174 -2.319 346 H CYS 49 HN CYS 49 -3.612 -5.079 -4.054 347 HA CYS 49 HA CYS 49 -1.656 -3.742 -2.307 348 HB2 CYS 49 HB2 CYS 49 -2.134 -2.493 -4.284 349 HB3 CYS 49 HB1 CYS 49 -3.867 -2.663 -4.001 350 H SER 50 HN SER 50 -2.071 -3.598 -0.239 351 HA SER 50 HA SER 50 -4.863 -3.407 0.590 352 HB2 SER 50 HB2 SER 50 -2.820 -5.277 1.829 353 HB3 SER 50 HB1 SER 50 -4.423 -4.953 2.489 354 HG SER 50 HG SER 50 -4.011 -5.834 -0.169 355 H CYS 51 HN CYS 51 -5.204 -2.093 2.403 356 HA CYS 51 HA CYS 51 -2.820 -0.942 3.692 357 HB2 CYS 51 HB2 CYS 51 -5.112 0.819 2.961 358 HB3 CYS 51 HB1 CYS 51 -3.414 1.234 3.188 359 H ARG 52 HN ARG 52 -3.300 0.191 5.700 360 HA ARG 52 HA ARG 52 -5.951 -0.392 6.894 361 HB2 ARG 52 HB2 ARG 52 -5.016 -1.525 8.830 362 HB3 ARG 52 HB1 ARG 52 -4.530 -2.385 7.369 363 HG2 ARG 52 HG2 ARG 52 -2.367 -1.104 7.413 364 HG3 ARG 52 HG1 ARG 52 -2.858 -0.434 8.969 365 HD2 ARG 52 HD2 ARG 52 -2.612 -3.391 8.395 366 HD3 ARG 52 HD1 ARG 52 -1.376 -2.425 9.194 367 HE ARG 52 HE ARG 52 -3.718 -1.993 10.618 368 HH11 ARG 52 HH11 ARG 52 -1.700 -4.651 9.710 369 HH12 ARG 52 HH12 ARG 52 -2.061 -5.586 11.122 370 HH21 ARG 52 HH21 ARG 52 -4.197 -3.214 12.473 371 HH22 ARG 52 HH22 ARG 52 -3.473 -4.773 12.687 372 H ARG 53 HN ARG 53 -6.483 0.968 8.637 373 HA ARG 53 HA ARG 53 -5.394 3.541 8.658 374 HB2 ARG 53 HB2 ARG 53 -7.615 3.090 9.480 375 HB3 ARG 53 HB1 ARG 53 -6.946 2.145 10.795 376 HG2 ARG 53 HG2 ARG 53 -5.808 4.814 10.604 377 HG3 ARG 53 HG1 ARG 53 -7.520 4.821 10.955 378 HD2 ARG 53 HD2 ARG 53 -5.627 3.010 12.454 379 HD3 ARG 53 HD1 ARG 53 -5.934 4.658 12.943 380 HE ARG 53 HE ARG 53 -8.430 3.517 12.634 381 HH11 ARG 53 HH11 ARG 53 -5.559 2.972 14.488 382 HH12 ARG 53 HH12 ARG 53 -6.395 2.274 15.835 383 HH21 ARG 53 HH21 ARG 53 -9.532 2.602 14.394 384 HH22 ARG 53 HH22 ARG 53 -8.645 2.065 15.782 385 H VAL 54 HN VAL 54 -4.133 4.600 10.160 386 HA VAL 54 HA VAL 54 -2.916 3.673 12.449 387 HB VAL 54 HB VAL 54 -1.869 1.958 11.152 388 HG11 VAL 54 HG11 VAL 54 -1.229 4.228 9.283 389 HG12 VAL 54 HG12 VAL 54 -0.239 2.763 9.310 390 HG13 VAL 54 HG13 VAL 54 -1.956 2.658 8.958 391 HG21 VAL 54 HG21 VAL 54 -0.526 3.692 12.758 392 HG22 VAL 54 HG22 VAL 54 0.156 2.204 12.095 393 HG23 VAL 54 HG23 VAL 54 0.443 3.744 11.282 394 H CYS 55 HN CYS 55 -3.705 6.042 12.281 395 HA CYS 55 HA CYS 55 -3.063 8.195 12.589 396 HB2 CYS 55 HB2 CYS 55 -0.959 8.492 13.377 397 HB3 CYS 55 HB1 CYS 55 -0.601 6.832 12.917 398 H ARG 56 HN ARG 56 -2.432 6.469 9.794 399 HA ARG 56 HA ARG 56 -3.312 8.496 8.076 400 HB2 ARG 56 HB2 ARG 56 -0.652 8.846 8.784 401 HB3 ARG 56 HB1 ARG 56 -0.585 8.002 7.227 402 HG2 ARG 56 HG2 ARG 56 -0.695 10.318 6.602 403 HG3 ARG 56 HG1 ARG 56 -2.353 9.763 6.448 404 HD2 ARG 56 HD2 ARG 56 -2.982 10.759 8.536 405 HD3 ARG 56 HD1 ARG 56 -1.306 11.061 8.983 406 HE ARG 56 HE ARG 56 -1.833 12.421 6.577 407 HH11 ARG 56 HH11 ARG 56 -2.749 12.396 9.915 408 HH12 ARG 56 HH12 ARG 56 -3.087 14.094 9.977 409 HH21 ARG 56 HH21 ARG 56 -2.274 14.649 6.652 410 HH22 ARG 56 HH22 ARG 56 -2.819 15.369 8.130 411 H ASN 57 HN ASN 57 -2.994 5.528 8.720 412 HA ASN 57 HA ASN 57 -3.551 3.655 7.514 413 HB2 ASN 57 HB2 ASN 57 -4.347 5.495 5.803 414 HB3 ASN 57 HB1 ASN 57 -2.960 4.900 4.917 415 HD21 ASN 57 HD21 ASN 57 -5.824 4.558 4.183 416 HD22 ASN 57 HD22 ASN 57 -6.094 2.882 4.130 417 H THR 58 HN THR 58 -2.373 1.951 6.668 418 HA THR 58 HA THR 58 0.506 2.443 6.317 419 HB THR 58 HB THR 58 -0.156 -0.340 6.834 420 HG1 THR 58 HG1 THR 58 -1.794 1.018 8.051 421 HG21 THR 58 HG21 THR 58 1.566 -0.044 8.576 422 HG22 THR 58 HG22 THR 58 2.084 0.601 7.018 423 HG23 THR 58 HG23 THR 58 1.546 1.696 8.290 424 H CYS 59 HN CYS 59 1.637 1.117 4.789 425 HA CYS 59 HA CYS 59 -0.099 0.319 2.533 426 HB2 CYS 59 HB2 CYS 59 1.556 2.230 2.284 427 HB3 CYS 59 HB1 CYS 59 2.844 1.046 2.473 428 H SER 60 HN SER 60 -0.227 -1.749 2.083 429 HA SER 60 HA SER 60 2.121 -3.465 2.468 430 HB2 SER 60 HB2 SER 60 -0.643 -4.096 3.537 431 HB3 SER 60 HB1 SER 60 0.723 -5.213 3.516 432 HG SER 60 HG SER 60 1.111 -4.321 5.398 433 H CYS 61 HN CYS 61 2.468 -4.038 0.395 434 HA CYS 61 HA CYS 61 0.185 -5.126 -1.129 435 HB2 CYS 61 HB2 CYS 61 2.582 -3.660 -2.240 436 HB3 CYS 61 HB1 CYS 61 1.266 -4.349 -3.189 437 H ILE 62 HN ILE 62 0.356 -7.148 -1.761 438 HA ILE 62 HA ILE 62 2.956 -8.407 -2.209 439 HB ILE 62 HB ILE 62 2.227 -10.246 -0.458 440 HG12 ILE 62 HG12 ILE 62 1.161 -9.259 1.519 441 HG13 ILE 62 HG11 ILE 62 1.033 -7.704 0.700 442 HG21 ILE 62 HG21 ILE 62 3.391 -7.673 0.629 443 HG22 ILE 62 HG22 ILE 62 3.771 -9.321 1.103 444 HG23 ILE 62 HG23 ILE 62 4.318 -8.712 -0.461 445 HD11 ILE 62 HD11 ILE 62 -1.040 -9.284 0.706 446 HD12 ILE 62 HD12 ILE 62 -0.597 -8.488 -0.805 447 HD13 ILE 62 HD13 ILE 62 -0.163 -10.176 -0.533 448 H ARG 63 HN ARG 63 2.702 -10.789 -2.714 449 HA ARG 63 HA ARG 63 0.190 -11.140 -4.222 450 HB2 ARG 63 HB2 ARG 63 1.657 -13.001 -5.326 451 HB3 ARG 63 HB1 ARG 63 1.901 -11.313 -5.776 452 HG2 ARG 63 HG2 ARG 63 3.774 -11.120 -4.241 453 HG3 ARG 63 HG1 ARG 63 3.485 -12.747 -3.630 454 HD2 ARG 63 HD2 ARG 63 5.324 -12.725 -5.275 455 HD3 ARG 63 HD1 ARG 63 3.962 -13.685 -5.847 456 HE ARG 63 HE ARG 63 3.608 -12.105 -7.528 457 HH11 ARG 63 HH11 ARG 63 5.830 -10.957 -5.136 458 HH12 ARG 63 HH12 ARG 63 6.311 -9.567 -6.051 459 HH21 ARG 63 HH21 ARG 63 4.233 -10.284 -8.733 460 HH22 ARG 63 HH22 ARG 63 5.406 -9.186 -8.087 461 H LEU 64 HN LEU 64 1.223 -11.866 -1.314 462 HA LEU 64 HA LEU 64 0.119 -14.619 -1.342 463 HB2 LEU 64 HB2 LEU 64 2.170 -13.438 0.544 464 HB3 LEU 64 HB1 LEU 64 1.491 -15.060 0.665 465 HG LEU 64 HG LEU 64 3.004 -13.999 -1.739 466 HD11 LEU 64 HD11 LEU 64 4.821 -14.356 -0.441 467 HD12 LEU 64 HD12 LEU 64 3.884 -15.218 0.779 468 HD13 LEU 64 HD13 LEU 64 4.466 -16.071 -0.650 469 HD21 LEU 64 HD21 LEU 64 3.089 -16.666 -1.997 470 HD22 LEU 64 HD22 LEU 64 1.579 -16.550 -1.096 471 HD23 LEU 64 HD23 LEU 64 1.750 -15.716 -2.641 472 H SER 65 HN SER 65 -1.187 -15.242 0.429 473 HA SER 65 HA SER 65 -2.778 -13.040 1.477 474 HB2 SER 65 HB2 SER 65 -3.112 -16.037 1.702 475 HB3 SER 65 HB1 SER 65 -4.253 -14.848 2.322 476 HG SER 65 HG SER 65 -3.807 -14.122 -0.123 477 H ARG 66 HN ARG 66 0.050 -14.128 2.406 478 HA ARG 66 HA ARG 66 -0.171 -14.994 5.063 479 HB2 ARG 66 HB2 ARG 66 1.964 -13.497 3.563 480 HB3 ARG 66 HB1 ARG 66 2.146 -13.875 5.275 481 HG2 ARG 66 HG2 ARG 66 1.301 -16.078 3.455 482 HG3 ARG 66 HG1 ARG 66 2.984 -15.557 3.378 483 HD2 ARG 66 HD2 ARG 66 3.203 -15.898 5.806 484 HD3 ARG 66 HD1 ARG 66 1.517 -16.400 5.892 485 HE ARG 66 HE ARG 66 2.786 -18.040 4.007 486 HH11 ARG 66 HH11 ARG 66 2.923 -17.284 7.382 487 HH12 ARG 66 HH12 ARG 66 3.472 -18.858 7.853 488 HH21 ARG 66 HH21 ARG 66 3.506 -20.106 4.618 489 HH22 ARG 66 HH22 ARG 66 3.802 -20.455 6.289 490 H SER 67 HN SER 67 0.012 -13.925 7.031 491 HA SER 67 HA SER 67 -1.615 -11.664 7.355 492 HB2 SER 67 HB2 SER 67 -0.778 -11.591 9.652 493 HB3 SER 67 HB1 SER 67 -1.058 -13.264 9.177 494 HG SER 67 HG SER 67 1.221 -13.305 8.616 495 H THR 68 HN THR 68 -1.292 -9.638 6.845 496 HA THR 68 HA THR 68 1.412 -8.665 6.317 497 HB THR 68 HB THR 68 0.331 -6.765 5.281 498 HG1 THR 68 HG1 THR 68 -1.774 -7.669 6.789 499 HG21 THR 68 HG21 THR 68 0.345 -9.186 4.237 500 HG22 THR 68 HG22 THR 68 -1.403 -9.042 4.417 501 HG23 THR 68 HG23 THR 68 -0.520 -7.875 3.433 502 H TYR 69 HN TYR 69 2.210 -8.479 8.432 503 HA TYR 69 HA TYR 69 2.639 -7.439 10.434 504 HB2 TYR 69 HB2 TYR 69 3.023 -5.479 9.092 505 HB3 TYR 69 HB1 TYR 69 1.291 -5.181 8.943 506 HD1 TYR 69 HD1 TYR 69 3.907 -5.667 11.587 507 HD2 TYR 69 HD2 TYR 69 0.283 -3.676 10.421 508 HE1 TYR 69 HE1 TYR 69 3.962 -4.340 13.681 509 HE2 TYR 69 HE2 TYR 69 0.334 -2.355 12.518 510 HH TYR 69 HH TYR 69 3.045 -2.637 14.801 511 H ALA 70 HN ALA 70 1.380 -8.667 11.811 512 HA ALA 70 HA ALA 70 -0.179 -8.884 13.499 513 HB1 ALA 70 HB1 ALA 70 -1.304 -7.037 14.244 514 HB2 ALA 70 HB2 ALA 70 -0.154 -6.218 13.188 515 HB3 ALA 70 HB3 ALA 70 -1.792 -6.548 12.622 516 H SER 71 HN SER 71 -2.974 -8.181 13.291 517 HA SER 71 HA SER 71 -4.077 -9.193 10.860 518 HB2 SER 71 HB2 SER 71 -3.433 -11.096 13.025 519 HB3 SER 71 HB1 SER 71 -5.067 -11.216 12.379 520 HG SER 71 HG SER 71 -3.100 -12.339 11.324 Start of MODEL 15 1 H LEU 1 HN LEU 1 -9.913 4.847 4.088 2 HA LEU 1 HA LEU 1 -8.457 3.564 2.825 3 HB2 LEU 1 HB2 LEU 1 -8.978 1.010 3.178 4 HB3 LEU 1 HB1 LEU 1 -8.434 1.998 4.534 5 HG LEU 1 HG LEU 1 -11.367 1.922 4.024 6 HD11 LEU 1 HD11 LEU 1 -11.574 -0.209 5.279 7 HD12 LEU 1 HD12 LEU 1 -10.754 -0.437 3.736 8 HD13 LEU 1 HD13 LEU 1 -9.820 -0.393 5.231 9 HD21 LEU 1 HD21 LEU 1 -9.997 3.131 5.897 10 HD22 LEU 1 HD22 LEU 1 -11.480 2.284 6.341 11 HD23 LEU 1 HD23 LEU 1 -9.912 1.529 6.632 12 H ARG 2 HN ARG 2 -9.127 4.301 0.769 13 HA ARG 2 HA ARG 2 -11.015 2.558 -0.671 14 HB2 ARG 2 HB2 ARG 2 -9.961 5.311 -1.357 15 HB3 ARG 2 HB1 ARG 2 -11.072 4.376 -2.359 16 HG2 ARG 2 HG2 ARG 2 -12.713 4.337 -0.522 17 HG3 ARG 2 HG1 ARG 2 -11.603 5.261 0.493 18 HD2 ARG 2 HD2 ARG 2 -13.213 6.792 -0.490 19 HD3 ARG 2 HD1 ARG 2 -11.634 7.087 -1.213 20 HE ARG 2 HE ARG 2 -12.465 6.302 -3.248 21 HH11 ARG 2 HH11 ARG 2 -14.620 5.609 -0.631 22 HH12 ARG 2 HH12 ARG 2 -15.921 5.098 -1.655 23 HH21 ARG 2 HH21 ARG 2 -14.165 5.634 -4.597 24 HH22 ARG 2 HH22 ARG 2 -15.662 5.112 -3.900 25 H VAL 3 HN VAL 3 -8.023 2.228 -0.024 26 HA VAL 3 HA VAL 3 -7.081 1.830 -2.801 27 HB VAL 3 HB VAL 3 -5.499 2.064 -0.233 28 HG11 VAL 3 HG11 VAL 3 -4.805 1.350 -3.047 29 HG12 VAL 3 HG12 VAL 3 -3.681 2.388 -2.171 30 HG13 VAL 3 HG13 VAL 3 -4.085 0.792 -1.538 31 HG21 VAL 3 HG21 VAL 3 -4.915 4.041 -2.233 32 HG22 VAL 3 HG22 VAL 3 -6.644 4.051 -1.907 33 HG23 VAL 3 HG23 VAL 3 -5.494 4.286 -0.588 34 H ARG 4 HN ARG 4 -7.367 -0.210 -3.446 35 HA ARG 4 HA ARG 4 -6.150 -2.396 -2.124 36 HB2 ARG 4 HB2 ARG 4 -8.181 -2.017 -0.677 37 HB3 ARG 4 HB1 ARG 4 -9.143 -2.473 -2.077 38 HG2 ARG 4 HG2 ARG 4 -8.099 -4.658 -2.168 39 HG3 ARG 4 HG1 ARG 4 -6.967 -4.215 -0.888 40 HD2 ARG 4 HD2 ARG 4 -9.980 -4.348 -0.570 41 HD3 ARG 4 HD1 ARG 4 -8.854 -5.590 -0.034 42 HE ARG 4 HE ARG 4 -8.021 -3.183 1.114 43 HH11 ARG 4 HH11 ARG 4 -10.761 -5.299 1.134 44 HH12 ARG 4 HH12 ARG 4 -11.222 -4.911 2.758 45 HH21 ARG 4 HH21 ARG 4 -8.621 -2.670 3.245 46 HH22 ARG 4 HH22 ARG 4 -10.011 -3.424 3.953 47 H ARG 5 HN ARG 5 -5.512 -2.128 -4.417 48 HA ARG 5 HA ARG 5 -7.164 -3.854 -6.143 49 HB2 ARG 5 HB2 ARG 5 -5.740 -1.432 -7.244 50 HB3 ARG 5 HB1 ARG 5 -6.940 -2.450 -8.036 51 HG2 ARG 5 HG2 ARG 5 -8.329 -0.730 -7.423 52 HG3 ARG 5 HG1 ARG 5 -8.412 -1.652 -5.932 53 HD2 ARG 5 HD2 ARG 5 -6.512 -0.271 -5.041 54 HD3 ARG 5 HD1 ARG 5 -6.580 0.693 -6.507 55 HE ARG 5 HE ARG 5 -8.477 0.752 -4.304 56 HH11 ARG 5 HH11 ARG 5 -7.770 1.488 -7.609 57 HH12 ARG 5 HH12 ARG 5 -8.954 2.745 -7.727 58 HH21 ARG 5 HH21 ARG 5 -10.031 2.398 -4.449 59 HH22 ARG 5 HH22 ARG 5 -10.236 3.261 -5.937 60 H THR 6 HN THR 6 -5.156 -3.128 -8.295 61 HA THR 6 HA THR 6 -2.787 -4.543 -7.311 62 HB THR 6 HB THR 6 -2.806 -6.030 -9.272 63 HG1 THR 6 HG1 THR 6 -5.465 -5.303 -9.736 64 HG21 THR 6 HG21 THR 6 -4.096 -6.414 -6.979 65 HG22 THR 6 HG22 THR 6 -5.503 -6.392 -8.032 66 HG23 THR 6 HG23 THR 6 -4.224 -7.579 -8.288 67 H LEU 7 HN LEU 7 -3.787 -3.859 -10.618 68 HA LEU 7 HA LEU 7 -2.282 -2.968 -12.242 69 HB2 LEU 7 HB2 LEU 7 -2.701 -0.366 -11.819 70 HB3 LEU 7 HB1 LEU 7 -3.902 -1.448 -12.497 71 HG LEU 7 HG LEU 7 -3.678 -1.143 -9.486 72 HD11 LEU 7 HD11 LEU 7 -5.570 0.529 -11.086 73 HD12 LEU 7 HD12 LEU 7 -5.001 0.747 -9.419 74 HD13 LEU 7 HD13 LEU 7 -3.954 1.081 -10.780 75 HD21 LEU 7 HD21 LEU 7 -5.698 -2.181 -11.466 76 HD22 LEU 7 HD22 LEU 7 -5.268 -2.810 -9.890 77 HD23 LEU 7 HD23 LEU 7 -6.312 -1.404 -10.018 78 H GLN 8 HN GLN 8 -1.886 -0.295 -10.009 79 HA GLN 8 HA GLN 8 0.971 -0.937 -9.768 80 HB2 GLN 8 HB2 GLN 8 0.021 1.082 -11.412 81 HB3 GLN 8 HB1 GLN 8 0.372 1.922 -9.896 82 HG2 GLN 8 HG2 GLN 8 2.398 1.985 -11.132 83 HG3 GLN 8 HG1 GLN 8 2.622 0.734 -9.910 84 HE21 GLN 8 HE21 GLN 8 4.319 0.232 -11.828 85 HE22 GLN 8 HE22 GLN 8 3.769 -0.903 -12.962 86 H CYS 9 HN CYS 9 1.781 -0.590 -7.838 87 HA CYS 9 HA CYS 9 0.031 0.592 -5.799 88 HB2 CYS 9 HB2 CYS 9 0.065 -1.646 -5.313 89 HB3 CYS 9 HB1 CYS 9 1.749 -1.833 -5.782 90 H SER 10 HN SER 10 0.722 2.378 -4.930 91 HA SER 10 HA SER 10 3.602 2.713 -4.428 92 HB2 SER 10 HB2 SER 10 1.758 4.817 -5.594 93 HB3 SER 10 HB1 SER 10 3.432 5.078 -5.112 94 HG SER 10 HG SER 10 3.603 4.583 -7.210 95 H CYS 11 HN CYS 11 4.127 3.866 -2.583 96 HA CYS 11 HA CYS 11 1.862 4.679 -0.878 97 HB2 CYS 11 HB2 CYS 11 4.319 3.417 0.272 98 HB3 CYS 11 HB1 CYS 11 2.711 3.535 0.973 99 H ARG 12 HN ARG 12 2.397 6.258 0.774 100 HA ARG 12 HA ARG 12 4.956 7.662 0.338 101 HB2 ARG 12 HB2 ARG 12 3.841 9.249 -0.786 102 HB3 ARG 12 HB1 ARG 12 2.263 8.694 -0.229 103 HG2 ARG 12 HG2 ARG 12 2.536 9.878 1.876 104 HG3 ARG 12 HG1 ARG 12 4.208 10.280 1.477 105 HD2 ARG 12 HD2 ARG 12 2.402 11.142 -0.623 106 HD3 ARG 12 HD1 ARG 12 1.939 11.818 0.933 107 HE ARG 12 HE ARG 12 4.003 12.953 1.034 108 HH11 ARG 12 HH11 ARG 12 3.733 10.907 -1.753 109 HH12 ARG 12 HH12 ARG 12 5.066 11.637 -2.579 110 HH21 ARG 12 HH21 ARG 12 5.752 13.899 -0.048 111 HH22 ARG 12 HH22 ARG 12 6.209 13.324 -1.616 112 H ARG 13 HN ARG 13 5.889 8.463 2.125 113 HA ARG 13 HA ARG 13 5.247 7.511 4.661 114 HB2 ARG 13 HB2 ARG 13 7.417 8.487 4.136 115 HB3 ARG 13 HB1 ARG 13 6.659 10.071 4.039 116 HG2 ARG 13 HG2 ARG 13 6.211 10.160 6.338 117 HG3 ARG 13 HG1 ARG 13 6.338 8.408 6.522 118 HD2 ARG 13 HD2 ARG 13 8.710 8.467 6.198 119 HD3 ARG 13 HD1 ARG 13 8.673 10.175 5.756 120 HE ARG 13 HE ARG 13 7.586 10.015 8.307 121 HH11 ARG 13 HH11 ARG 13 10.560 9.196 6.724 122 HH12 ARG 13 HH12 ARG 13 11.534 9.441 8.136 123 HH21 ARG 13 HH21 ARG 13 8.861 10.336 10.154 124 HH22 ARG 13 HH22 ARG 13 10.574 10.087 10.075 125 H VAL 14 HN VAL 14 4.194 8.266 6.361 126 HA VAL 14 HA VAL 14 2.991 10.765 6.777 127 HB VAL 14 HB VAL 14 1.674 10.105 4.786 128 HG11 VAL 14 HG11 VAL 14 1.558 7.597 6.132 129 HG12 VAL 14 HG12 VAL 14 -0.084 8.217 5.973 130 HG13 VAL 14 HG13 VAL 14 0.933 8.030 4.561 131 HG21 VAL 14 HG21 VAL 14 -0.489 9.965 6.682 132 HG22 VAL 14 HG22 VAL 14 0.735 11.108 7.247 133 HG23 VAL 14 HG23 VAL 14 0.000 11.311 5.658 134 H CYS 15 HN CYS 15 4.162 9.545 8.687 135 HA CYS 15 HA CYS 15 3.921 8.793 10.832 136 HB2 CYS 15 HB2 CYS 15 2.030 9.481 11.813 137 HB3 CYS 15 HB1 CYS 15 1.308 9.749 10.239 138 H ARG 16 HN ARG 16 2.819 7.171 8.126 139 HA ARG 16 HA ARG 16 3.764 4.667 8.931 140 HB2 ARG 16 HB2 ARG 16 1.262 5.211 10.063 141 HB3 ARG 16 HB1 ARG 16 0.921 4.195 8.671 142 HG2 ARG 16 HG2 ARG 16 1.358 2.563 10.316 143 HG3 ARG 16 HG1 ARG 16 2.927 2.730 9.576 144 HD2 ARG 16 HD2 ARG 16 2.167 4.401 11.983 145 HD3 ARG 16 HD1 ARG 16 2.792 2.765 12.169 146 HE ARG 16 HE ARG 16 4.535 4.116 10.458 147 HH11 ARG 16 HH11 ARG 16 3.371 4.272 13.711 148 HH12 ARG 16 HH12 ARG 16 4.825 4.967 14.345 149 HH21 ARG 16 HH21 ARG 16 6.438 5.036 11.274 150 HH22 ARG 16 HH22 ARG 16 6.564 5.400 12.963 151 H ASN 17 HN ASN 17 3.699 6.380 6.651 152 HA ASN 17 HA ASN 17 3.524 6.244 4.400 153 HB2 ASN 17 HB2 ASN 17 3.998 3.620 5.302 154 HB3 ASN 17 HB1 ASN 17 2.799 3.534 4.027 155 HD21 ASN 17 HD21 ASN 17 3.459 5.179 2.062 156 HD22 ASN 17 HD22 ASN 17 5.081 5.041 1.579 157 H THR 18 HN THR 18 2.030 6.217 2.742 158 HA THR 18 HA THR 18 -0.814 5.923 3.521 159 HB THR 18 HB THR 18 -0.619 7.498 1.158 160 HG1 THR 18 HG1 THR 18 1.329 8.299 1.525 161 HG21 THR 18 HG21 THR 18 -1.335 8.137 4.022 162 HG22 THR 18 HG22 THR 18 -1.576 9.261 2.690 163 HG23 THR 18 HG23 THR 18 -2.427 7.715 2.709 164 H CYS 19 HN CYS 19 -2.259 5.343 1.808 165 HA CYS 19 HA CYS 19 -1.014 3.334 0.053 166 HB2 CYS 19 HB2 CYS 19 -3.844 3.660 1.037 167 HB3 CYS 19 HB1 CYS 19 -3.214 2.277 0.139 168 H SER 20 HN SER 20 -0.906 3.816 -2.017 169 HA SER 20 HA SER 20 -3.184 5.079 -3.343 170 HB2 SER 20 HB2 SER 20 -0.339 6.075 -3.597 171 HB3 SER 20 HB1 SER 20 -1.712 6.631 -4.557 172 HG SER 20 HG SER 20 -1.288 6.878 -1.757 173 H CYS 21 HN CYS 21 -3.693 3.386 -4.618 174 HA CYS 21 HA CYS 21 -1.551 2.280 -6.314 175 HB2 CYS 21 HB2 CYS 21 -4.016 0.827 -5.300 176 HB3 CYS 21 HB1 CYS 21 -2.838 0.158 -6.410 177 H ILE 22 HN ILE 22 -1.761 2.774 -8.342 178 HA ILE 22 HA ILE 22 -4.367 2.973 -9.608 179 HB ILE 22 HB ILE 22 -3.600 5.353 -10.462 180 HG12 ILE 22 HG12 ILE 22 -2.565 6.655 -8.660 181 HG13 ILE 22 HG11 ILE 22 -2.419 5.199 -7.680 182 HG21 ILE 22 HG21 ILE 22 -4.806 5.093 -7.693 183 HG22 ILE 22 HG22 ILE 22 -5.102 6.359 -8.880 184 HG23 ILE 22 HG23 ILE 22 -5.717 4.738 -9.170 185 HD11 ILE 22 HD11 ILE 22 -0.377 6.015 -9.123 186 HD12 ILE 22 HD12 ILE 22 -0.749 4.292 -9.039 187 HD13 ILE 22 HD13 ILE 22 -1.252 5.244 -10.442 188 H ARG 23 HN ARG 23 -4.268 3.218 -11.923 189 HA ARG 23 HA ARG 23 -2.027 1.864 -13.059 190 HB2 ARG 23 HB2 ARG 23 -3.191 2.207 -15.213 191 HB3 ARG 23 HB1 ARG 23 -4.245 1.525 -13.972 192 HG2 ARG 23 HG2 ARG 23 -5.219 3.707 -13.525 193 HG3 ARG 23 HG1 ARG 23 -4.092 4.481 -14.640 194 HD2 ARG 23 HD2 ARG 23 -6.273 4.141 -15.714 195 HD3 ARG 23 HD1 ARG 23 -5.031 3.177 -16.505 196 HE ARG 23 HE ARG 23 -6.331 1.672 -14.457 197 HH11 ARG 23 HH11 ARG 23 -6.703 2.963 -17.646 198 HH12 ARG 23 HH12 ARG 23 -7.810 1.737 -18.164 199 HH21 ARG 23 HH21 ARG 23 -7.778 0.055 -15.131 200 HH22 ARG 23 HH22 ARG 23 -8.418 0.089 -16.740 201 H LEU 24 HN LEU 24 -2.370 4.984 -12.128 202 HA LEU 24 HA LEU 24 -1.008 6.252 -14.362 203 HB2 LEU 24 HB2 LEU 24 -1.639 7.336 -11.609 204 HB3 LEU 24 HB1 LEU 24 -1.115 8.278 -13.004 205 HG LEU 24 HG LEU 24 -3.652 6.621 -12.871 206 HD11 LEU 24 HD11 LEU 24 -3.449 8.820 -11.491 207 HD12 LEU 24 HD12 LEU 24 -3.505 9.623 -13.060 208 HD13 LEU 24 HD13 LEU 24 -4.852 8.610 -12.538 209 HD21 LEU 24 HD21 LEU 24 -3.211 6.682 -15.142 210 HD22 LEU 24 HD22 LEU 24 -4.036 8.231 -14.966 211 HD23 LEU 24 HD23 LEU 24 -2.276 8.173 -15.028 212 H SER 25 HN SER 25 1.121 6.699 -14.546 213 HA SER 25 HA SER 25 2.997 5.324 -12.919 214 HB2 SER 25 HB2 SER 25 3.379 7.536 -14.943 215 HB3 SER 25 HB1 SER 25 4.693 6.628 -14.199 216 HG SER 25 HG SER 25 3.137 5.954 -16.267 217 H ARG 26 HN ARG 26 1.925 8.693 -13.043 218 HA ARG 26 HA ARG 26 3.799 9.648 -11.109 219 HB2 ARG 26 HB2 ARG 26 1.178 10.806 -12.080 220 HB3 ARG 26 HB1 ARG 26 2.341 11.660 -11.065 221 HG2 ARG 26 HG2 ARG 26 4.037 11.523 -12.789 222 HG3 ARG 26 HG1 ARG 26 3.007 10.492 -13.781 223 HD2 ARG 26 HD2 ARG 26 2.287 13.318 -12.959 224 HD3 ARG 26 HD1 ARG 26 3.010 12.897 -14.509 225 HE ARG 26 HE ARG 26 0.735 11.297 -14.185 226 HH11 ARG 26 HH11 ARG 26 1.603 14.636 -14.472 227 HH12 ARG 26 HH12 ARG 26 0.116 15.099 -15.228 228 HH21 ARG 26 HH21 ARG 26 -1.216 11.899 -15.180 229 HH22 ARG 26 HH22 ARG 26 -1.480 13.551 -15.630 230 H SER 27 HN SER 27 3.511 10.145 -8.961 231 HA SER 27 HA SER 27 1.794 8.360 -7.517 232 HB2 SER 27 HB2 SER 27 3.561 10.631 -6.586 233 HB3 SER 27 HB1 SER 27 2.718 9.518 -5.512 234 HG SER 27 HG SER 27 4.966 9.152 -7.060 235 H THR 28 HN THR 28 -0.256 8.695 -7.081 236 HA THR 28 HA THR 28 -1.393 11.385 -7.271 237 HB THR 28 HB THR 28 -2.756 8.713 -6.891 238 HG1 THR 28 HG1 THR 28 -1.886 10.150 -9.096 239 HG21 THR 28 HG21 THR 28 -4.213 10.418 -6.091 240 HG22 THR 28 HG22 THR 28 -3.769 11.514 -7.401 241 HG23 THR 28 HG23 THR 28 -4.741 10.082 -7.739 242 H TYR 29 HN TYR 29 -0.853 12.401 -5.427 243 HA TYR 29 HA TYR 29 -1.723 11.196 -2.868 244 HB2 TYR 29 HB2 TYR 29 0.645 11.592 -2.806 245 HB3 TYR 29 HB1 TYR 29 0.445 13.226 -3.439 246 HD1 TYR 29 HD1 TYR 29 -0.416 11.032 -0.532 247 HD2 TYR 29 HD2 TYR 29 0.031 15.049 -1.992 248 HE1 TYR 29 HE1 TYR 29 -0.703 11.902 1.771 249 HE2 TYR 29 HE2 TYR 29 -0.256 15.916 0.313 250 HH TYR 29 HH TYR 29 -0.904 15.373 2.413 251 H ALA 30 HN ALA 30 -3.304 12.159 -1.763 252 HA ALA 30 HA ALA 30 -3.869 15.002 -2.167 253 HB1 ALA 30 HB1 ALA 30 -6.365 14.337 -2.366 254 HB2 ALA 30 HB2 ALA 30 -5.350 14.195 -3.801 255 HB3 ALA 30 HB3 ALA 30 -5.752 12.760 -2.860 256 H SER 31 HN SER 31 -5.105 15.934 -0.486 257 HA SER 31 HA SER 31 -4.626 14.920 2.086 258 HB2 SER 31 HB2 SER 31 -6.940 16.741 1.732 259 HB3 SER 31 HB1 SER 31 -5.574 16.855 2.838 260 HG SER 31 HG SER 31 -5.119 18.374 1.378 261 H LEU 41 HN LEU 41 10.536 -7.322 -2.187 262 HA LEU 41 HA LEU 41 10.426 -5.347 -0.995 263 HB2 LEU 41 HB2 LEU 41 10.749 -4.499 -3.747 264 HB3 LEU 41 HB1 LEU 41 9.731 -3.370 -2.853 265 HG LEU 41 HG LEU 41 11.443 -3.230 -1.078 266 HD11 LEU 41 HD11 LEU 41 12.897 -4.944 -0.901 267 HD12 LEU 41 HD12 LEU 41 12.466 -5.543 -2.502 268 HD13 LEU 41 HD13 LEU 41 13.716 -4.311 -2.329 269 HD21 LEU 41 HD21 LEU 41 12.892 -1.794 -2.253 270 HD22 LEU 41 HD22 LEU 41 12.873 -2.806 -3.698 271 HD23 LEU 41 HD23 LEU 41 11.462 -1.832 -3.284 272 H ARG 42 HN ARG 42 8.583 -5.894 0.130 273 HA ARG 42 HA ARG 42 5.946 -5.721 -0.923 274 HB2 ARG 42 HB2 ARG 42 5.243 -5.873 1.448 275 HB3 ARG 42 HB1 ARG 42 6.432 -7.104 1.024 276 HG2 ARG 42 HG2 ARG 42 8.224 -5.728 2.000 277 HG3 ARG 42 HG1 ARG 42 7.054 -4.470 2.399 278 HD2 ARG 42 HD2 ARG 42 7.497 -5.860 4.368 279 HD3 ARG 42 HD1 ARG 42 5.832 -6.074 3.833 280 HE ARG 42 HE ARG 42 7.558 -8.023 2.649 281 HH11 ARG 42 HH11 ARG 42 5.920 -7.109 5.557 282 HH12 ARG 42 HH12 ARG 42 5.784 -8.729 6.153 283 HH21 ARG 42 HH21 ARG 42 7.381 -10.151 3.423 284 HH22 ARG 42 HH22 ARG 42 6.611 -10.452 4.946 285 H VAL 43 HN VAL 43 4.300 -4.265 0.271 286 HA VAL 43 HA VAL 43 3.431 -2.163 0.548 287 HB VAL 43 HB VAL 43 6.229 -1.502 1.510 288 HG11 VAL 43 HG11 VAL 43 5.386 0.590 1.499 289 HG12 VAL 43 HG12 VAL 43 3.726 0.025 1.321 290 HG13 VAL 43 HG13 VAL 43 4.484 0.060 2.916 291 HG21 VAL 43 HG21 VAL 43 4.268 -1.815 3.592 292 HG22 VAL 43 HG22 VAL 43 4.290 -3.266 2.587 293 HG23 VAL 43 HG23 VAL 43 5.772 -2.700 3.352 294 H ARG 44 HN ARG 44 4.580 -2.911 -2.035 295 HA ARG 44 HA ARG 44 4.463 -0.403 -3.337 296 HB2 ARG 44 HB2 ARG 44 6.908 -0.676 -2.235 297 HB3 ARG 44 HB1 ARG 44 7.174 -1.535 -3.750 298 HG2 ARG 44 HG2 ARG 44 6.096 0.481 -4.907 299 HG3 ARG 44 HG1 ARG 44 6.267 1.320 -3.365 300 HD2 ARG 44 HD2 ARG 44 8.517 0.050 -4.945 301 HD3 ARG 44 HD1 ARG 44 8.198 1.777 -4.816 302 HE ARG 44 HE ARG 44 9.382 0.070 -2.775 303 HH11 ARG 44 HH11 ARG 44 7.832 3.055 -3.588 304 HH12 ARG 44 HH12 ARG 44 8.444 3.908 -2.211 305 HH21 ARG 44 HH21 ARG 44 10.190 1.182 -0.968 306 HH22 ARG 44 HH22 ARG 44 9.778 2.847 -0.727 307 H ARG 45 HN ARG 45 6.193 -1.204 -5.487 308 HA ARG 45 HA ARG 45 6.101 -2.357 -7.449 309 HB2 ARG 45 HB2 ARG 45 5.251 -4.570 -5.605 310 HB3 ARG 45 HB1 ARG 45 5.689 -4.798 -7.296 311 HG2 ARG 45 HG2 ARG 45 7.919 -3.817 -6.820 312 HG3 ARG 45 HG1 ARG 45 7.477 -3.700 -5.115 313 HD2 ARG 45 HD2 ARG 45 7.128 -6.141 -5.034 314 HD3 ARG 45 HD1 ARG 45 7.570 -6.262 -6.734 315 HE ARG 45 HE ARG 45 9.647 -4.963 -5.321 316 HH11 ARG 45 HH11 ARG 45 8.102 -8.041 -5.681 317 HH12 ARG 45 HH12 ARG 45 9.521 -8.952 -5.289 318 HH21 ARG 45 HH21 ARG 45 11.510 -6.151 -4.809 319 HH22 ARG 45 HH22 ARG 45 11.451 -7.882 -4.797 320 H THR 46 HN THR 46 4.006 -4.678 -7.502 321 HA THR 46 HA THR 46 1.617 -3.011 -7.933 322 HB THR 46 HB THR 46 1.197 -4.248 -10.040 323 HG1 THR 46 HG1 THR 46 3.820 -5.011 -10.250 324 HG21 THR 46 HG21 THR 46 2.260 -2.569 -11.123 325 HG22 THR 46 HG22 THR 46 2.943 -2.118 -9.569 326 HG23 THR 46 HG23 THR 46 3.839 -3.177 -10.645 327 H LEU 47 HN LEU 47 2.351 -6.391 -8.650 328 HA LEU 47 HA LEU 47 0.812 -8.164 -8.334 329 HB2 LEU 47 HB2 LEU 47 1.280 -8.905 -5.875 330 HB3 LEU 47 HB1 LEU 47 2.564 -8.888 -7.072 331 HG LEU 47 HG LEU 47 2.151 -6.317 -5.660 332 HD11 LEU 47 HD11 LEU 47 2.866 -8.811 -4.190 333 HD12 LEU 47 HD12 LEU 47 3.549 -7.250 -3.725 334 HD13 LEU 47 HD13 LEU 47 1.806 -7.473 -3.731 335 HD21 LEU 47 HD21 LEU 47 4.497 -8.043 -6.487 336 HD22 LEU 47 HD22 LEU 47 4.067 -6.425 -7.037 337 HD23 LEU 47 HD23 LEU 47 4.697 -6.681 -5.416 338 H GLN 48 HN GLN 48 0.413 -7.502 -5.004 339 HA GLN 48 HA GLN 48 -2.428 -6.877 -5.453 340 HB2 GLN 48 HB2 GLN 48 -1.346 -9.080 -4.170 341 HB3 GLN 48 HB1 GLN 48 -1.744 -7.971 -2.851 342 HG2 GLN 48 HG2 GLN 48 -3.689 -9.306 -3.257 343 HG3 GLN 48 HG1 GLN 48 -4.019 -7.692 -3.882 344 HE21 GLN 48 HE21 GLN 48 -5.599 -9.557 -5.014 345 HE22 GLN 48 HE22 GLN 48 -5.068 -9.987 -6.567 346 H CYS 49 HN CYS 49 -3.271 -5.242 -4.342 347 HA CYS 49 HA CYS 49 -1.494 -3.659 -2.600 348 HB2 CYS 49 HB2 CYS 49 -1.917 -2.596 -4.713 349 HB3 CYS 49 HB1 CYS 49 -3.658 -2.805 -4.486 350 H SER 50 HN SER 50 -2.134 -3.255 -0.612 351 HA SER 50 HA SER 50 -4.984 -3.301 -0.007 352 HB2 SER 50 HB2 SER 50 -2.939 -4.983 1.464 353 HB3 SER 50 HB1 SER 50 -4.618 -4.768 1.953 354 HG SER 50 HG SER 50 -4.624 -5.435 -0.596 355 H CYS 51 HN CYS 51 -5.474 -2.336 2.119 356 HA CYS 51 HA CYS 51 -3.294 -0.737 3.285 357 HB2 CYS 51 HB2 CYS 51 -4.768 0.514 1.539 358 HB3 CYS 51 HB1 CYS 51 -5.983 0.469 2.810 359 H ARG 52 HN ARG 52 -3.855 0.113 5.395 360 HA ARG 52 HA ARG 52 -6.193 -1.016 6.745 361 HB2 ARG 52 HB2 ARG 52 -4.945 -2.221 8.424 362 HB3 ARG 52 HB1 ARG 52 -4.415 -2.808 6.849 363 HG2 ARG 52 HG2 ARG 52 -2.519 -1.104 6.998 364 HG3 ARG 52 HG1 ARG 52 -2.989 -0.871 8.683 365 HD2 ARG 52 HD2 ARG 52 -2.659 -3.270 9.120 366 HD3 ARG 52 HD1 ARG 52 -2.196 -3.517 7.440 367 HE ARG 52 HE ARG 52 -0.129 -2.513 7.896 368 HH11 ARG 52 HH11 ARG 52 -2.343 -2.206 10.540 369 HH12 ARG 52 HH12 ARG 52 -1.141 -1.665 11.663 370 HH21 ARG 52 HH21 ARG 52 1.452 -1.803 9.366 371 HH22 ARG 52 HH22 ARG 52 1.006 -1.436 10.999 372 H ARG 53 HN ARG 53 -6.838 0.226 8.478 373 HA ARG 53 HA ARG 53 -5.948 2.855 8.820 374 HB2 ARG 53 HB2 ARG 53 -8.106 2.123 9.622 375 HB3 ARG 53 HB1 ARG 53 -7.318 1.099 10.821 376 HG2 ARG 53 HG2 ARG 53 -6.477 2.954 12.033 377 HG3 ARG 53 HG1 ARG 53 -6.762 4.056 10.684 378 HD2 ARG 53 HD2 ARG 53 -9.107 3.968 10.963 379 HD3 ARG 53 HD1 ARG 53 -9.014 2.588 12.058 380 HE ARG 53 HE ARG 53 -7.572 4.708 13.203 381 HH11 ARG 53 HH11 ARG 53 -10.813 3.888 12.284 382 HH12 ARG 53 HH12 ARG 53 -11.549 4.863 13.512 383 HH21 ARG 53 HH21 ARG 53 -8.535 5.977 14.815 384 HH22 ARG 53 HH22 ARG 53 -10.261 6.043 14.943 385 H VAL 54 HN VAL 54 -4.847 3.861 10.474 386 HA VAL 54 HA VAL 54 -3.449 2.888 12.619 387 HB VAL 54 HB VAL 54 -2.327 1.338 11.173 388 HG11 VAL 54 HG11 VAL 54 -1.947 3.738 9.437 389 HG12 VAL 54 HG12 VAL 54 -0.754 2.454 9.384 390 HG13 VAL 54 HG13 VAL 54 -2.439 2.128 9.019 391 HG21 VAL 54 HG21 VAL 54 -1.078 2.759 12.985 392 HG22 VAL 54 HG22 VAL 54 -0.162 1.715 11.900 393 HG23 VAL 54 HG23 VAL 54 -0.241 3.448 11.600 394 H CYS 55 HN CYS 55 -4.273 5.167 12.830 395 HA CYS 55 HA CYS 55 -3.806 7.385 13.152 396 HB2 CYS 55 HB2 CYS 55 -1.761 7.288 14.160 397 HB3 CYS 55 HB1 CYS 55 -1.095 6.187 12.979 398 H ARG 56 HN ARG 56 -3.276 5.827 10.248 399 HA ARG 56 HA ARG 56 -4.219 7.858 8.622 400 HB2 ARG 56 HB2 ARG 56 -1.438 8.160 9.413 401 HB3 ARG 56 HB1 ARG 56 -1.601 7.981 7.669 402 HG2 ARG 56 HG2 ARG 56 -2.689 10.010 7.440 403 HG3 ARG 56 HG1 ARG 56 -3.535 9.852 8.974 404 HD2 ARG 56 HD2 ARG 56 -1.741 10.677 10.215 405 HD3 ARG 56 HD1 ARG 56 -0.568 10.290 8.967 406 HE ARG 56 HE ARG 56 -2.472 12.254 8.084 407 HH11 ARG 56 HH11 ARG 56 0.384 11.721 9.956 408 HH12 ARG 56 HH12 ARG 56 0.974 13.338 9.774 409 HH21 ARG 56 HH21 ARG 56 -1.705 14.379 7.834 410 HH22 ARG 56 HH22 ARG 56 -0.209 14.844 8.571 411 H ASN 57 HN ASN 57 -4.127 5.010 8.980 412 HA ASN 57 HA ASN 57 -4.136 3.140 7.717 413 HB2 ASN 57 HB2 ASN 57 -4.869 5.279 5.998 414 HB3 ASN 57 HB1 ASN 57 -3.870 4.154 5.105 415 HD21 ASN 57 HD21 ASN 57 -7.044 4.766 5.804 416 HD22 ASN 57 HD22 ASN 57 -7.673 3.194 5.678 417 H THR 58 HN THR 58 -2.805 1.716 6.697 418 HA THR 58 HA THR 58 -0.016 2.563 6.213 419 HB THR 58 HB THR 58 -0.186 -0.285 6.605 420 HG1 THR 58 HG1 THR 58 -2.037 0.633 7.932 421 HG21 THR 58 HG21 THR 58 1.406 0.278 8.483 422 HG22 THR 58 HG22 THR 58 1.864 0.897 6.893 423 HG23 THR 58 HG23 THR 58 1.151 1.973 8.092 424 H CYS 59 HN CYS 59 1.128 1.463 4.577 425 HA CYS 59 HA CYS 59 -0.600 0.499 2.383 426 HB2 CYS 59 HB2 CYS 59 0.743 2.627 2.109 427 HB3 CYS 59 HB1 CYS 59 2.195 1.643 2.249 428 H SER 60 HN SER 60 -0.581 -1.584 2.151 429 HA SER 60 HA SER 60 1.990 -3.008 2.342 430 HB2 SER 60 HB2 SER 60 -0.684 -3.958 3.369 431 HB3 SER 60 HB1 SER 60 0.806 -4.901 3.366 432 HG SER 60 HG SER 60 1.395 -3.861 5.092 433 H CYS 61 HN CYS 61 2.454 -3.712 0.361 434 HA CYS 61 HA CYS 61 0.275 -4.849 -1.267 435 HB2 CYS 61 HB2 CYS 61 2.778 -3.428 -2.225 436 HB3 CYS 61 HB1 CYS 61 1.653 -4.271 -3.278 437 H ILE 62 HN ILE 62 0.432 -6.915 -1.598 438 HA ILE 62 HA ILE 62 2.988 -8.288 -1.795 439 HB ILE 62 HB ILE 62 2.073 -9.897 0.111 440 HG12 ILE 62 HG12 ILE 62 1.169 -8.578 1.964 441 HG13 ILE 62 HG11 ILE 62 1.157 -7.138 0.952 442 HG21 ILE 62 HG21 ILE 62 3.551 -7.347 0.814 443 HG22 ILE 62 HG22 ILE 62 3.680 -8.909 1.606 444 HG23 ILE 62 HG23 ILE 62 4.316 -8.702 -0.019 445 HD11 ILE 62 HD11 ILE 62 -1.035 -8.563 1.205 446 HD12 ILE 62 HD12 ILE 62 -0.591 -7.932 -0.380 447 HD13 ILE 62 HD13 ILE 62 -0.257 -9.614 0.025 448 H ARG 63 HN ARG 63 2.817 -10.472 -2.530 449 HA ARG 63 HA ARG 63 0.474 -10.962 -4.091 450 HB2 ARG 63 HB2 ARG 63 2.851 -11.600 -4.698 451 HB3 ARG 63 HB1 ARG 63 2.699 -12.915 -3.532 452 HG2 ARG 63 HG2 ARG 63 0.791 -13.819 -4.740 453 HG3 ARG 63 HG1 ARG 63 0.817 -12.455 -5.859 454 HD2 ARG 63 HD2 ARG 63 3.053 -14.460 -5.488 455 HD3 ARG 63 HD1 ARG 63 1.915 -14.430 -6.821 456 HE ARG 63 HE ARG 63 3.075 -11.916 -6.772 457 HH11 ARG 63 HH11 ARG 63 4.068 -15.219 -7.111 458 HH12 ARG 63 HH12 ARG 63 5.435 -14.848 -8.107 459 HH21 ARG 63 HH21 ARG 63 4.871 -11.426 -8.072 460 HH22 ARG 63 HH22 ARG 63 5.890 -12.702 -8.650 461 H LEU 64 HN LEU 64 1.380 -11.654 -0.925 462 HA LEU 64 HA LEU 64 -0.059 -14.110 -0.566 463 HB2 LEU 64 HB2 LEU 64 0.808 -12.075 1.502 464 HB3 LEU 64 HB1 LEU 64 0.287 -13.728 1.828 465 HG LEU 64 HG LEU 64 2.680 -12.952 0.135 466 HD11 LEU 64 HD11 LEU 64 3.625 -12.645 2.173 467 HD12 LEU 64 HD12 LEU 64 2.312 -13.471 3.011 468 HD13 LEU 64 HD13 LEU 64 3.610 -14.405 2.267 469 HD21 LEU 64 HD21 LEU 64 3.073 -15.538 0.676 470 HD22 LEU 64 HD22 LEU 64 1.312 -15.538 0.763 471 HD23 LEU 64 HD23 LEU 64 2.121 -15.028 -0.719 472 H SER 65 HN SER 65 -2.046 -14.450 0.485 473 HA SER 65 HA SER 65 -3.967 -12.297 0.058 474 HB2 SER 65 HB2 SER 65 -5.659 -13.984 0.380 475 HB3 SER 65 HB1 SER 65 -4.421 -14.643 -0.686 476 HG SER 65 HG SER 65 -3.811 -15.056 1.916 477 H ARG 66 HN ARG 66 -2.086 -13.509 2.590 478 HA ARG 66 HA ARG 66 -3.972 -12.721 4.685 479 HB2 ARG 66 HB2 ARG 66 -1.206 -13.937 4.850 480 HB3 ARG 66 HB1 ARG 66 -2.259 -13.614 6.229 481 HG2 ARG 66 HG2 ARG 66 -4.001 -15.074 5.147 482 HG3 ARG 66 HG1 ARG 66 -2.806 -15.506 3.925 483 HD2 ARG 66 HD2 ARG 66 -2.503 -15.948 6.910 484 HD3 ARG 66 HD1 ARG 66 -2.876 -17.188 5.723 485 HE ARG 66 HE ARG 66 -0.663 -16.989 4.858 486 HH11 ARG 66 HH11 ARG 66 -1.282 -14.930 7.595 487 HH12 ARG 66 HH12 ARG 66 0.393 -14.666 7.932 488 HH21 ARG 66 HH21 ARG 66 1.526 -16.618 5.311 489 HH22 ARG 66 HH22 ARG 66 1.974 -15.610 6.647 490 H SER 67 HN SER 67 -3.504 -11.147 6.240 491 HA SER 67 HA SER 67 -2.122 -8.853 5.203 492 HB2 SER 67 HB2 SER 67 -3.380 -9.371 7.906 493 HB3 SER 67 HB1 SER 67 -2.755 -7.814 7.372 494 HG SER 67 HG SER 67 -5.120 -8.965 6.852 495 H THR 68 HN THR 68 0.013 -8.732 5.210 496 HA THR 68 HA THR 68 1.793 -10.276 6.702 497 HB THR 68 HB THR 68 2.347 -8.879 4.672 498 HG1 THR 68 HG1 THR 68 3.789 -9.318 6.916 499 HG21 THR 68 HG21 THR 68 2.974 -6.585 6.444 500 HG22 THR 68 HG22 THR 68 2.442 -6.598 4.763 501 HG23 THR 68 HG23 THR 68 1.269 -6.821 6.061 502 H TYR 69 HN TYR 69 -0.124 -7.613 7.679 503 HA TYR 69 HA TYR 69 1.450 -6.494 9.722 504 HB2 TYR 69 HB2 TYR 69 -0.594 -5.418 8.955 505 HB3 TYR 69 HB1 TYR 69 -1.557 -6.782 9.525 506 HD1 TYR 69 HD1 TYR 69 0.851 -4.173 10.704 507 HD2 TYR 69 HD2 TYR 69 -2.354 -6.839 11.737 508 HE1 TYR 69 HE1 TYR 69 0.727 -3.148 12.957 509 HE2 TYR 69 HE2 TYR 69 -2.478 -5.814 13.992 510 HH TYR 69 HH TYR 69 -0.340 -4.313 15.447 511 H ALA 70 HN ALA 70 2.047 -7.202 11.669 512 HA ALA 70 HA ALA 70 0.473 -9.136 13.138 513 HB1 ALA 70 HB1 ALA 70 3.159 -9.854 11.964 514 HB2 ALA 70 HB2 ALA 70 2.486 -10.687 13.365 515 HB3 ALA 70 HB3 ALA 70 1.638 -10.735 11.820 516 H SER 71 HN SER 71 1.197 -9.399 15.321 517 HA SER 71 HA SER 71 2.596 -7.045 16.309 518 HB2 SER 71 HB2 SER 71 1.975 -8.802 18.435 519 HB3 SER 71 HB1 SER 71 1.146 -7.314 17.990 520 HG SER 71 HG SER 71 0.168 -9.706 17.893 Start of MODEL 16 1 H LEU 1 HN LEU 1 -4.480 10.053 -0.905 2 HA LEU 1 HA LEU 1 -5.460 8.233 0.240 3 HB2 LEU 1 HB2 LEU 1 -6.967 10.701 0.229 4 HB3 LEU 1 HB1 LEU 1 -8.057 9.328 0.418 5 HG LEU 1 HG LEU 1 -7.233 10.159 2.604 6 HD11 LEU 1 HD11 LEU 1 -5.795 7.643 2.631 7 HD12 LEU 1 HD12 LEU 1 -7.356 8.040 3.350 8 HD13 LEU 1 HD13 LEU 1 -7.269 7.506 1.671 9 HD21 LEU 1 HD21 LEU 1 -5.043 10.592 3.003 10 HD22 LEU 1 HD22 LEU 1 -4.523 9.080 2.257 11 HD23 LEU 1 HD23 LEU 1 -4.840 10.496 1.254 12 H ARG 2 HN ARG 2 -5.831 8.249 -2.827 13 HA ARG 2 HA ARG 2 -8.352 6.771 -3.039 14 HB2 ARG 2 HB2 ARG 2 -7.808 8.478 -4.748 15 HB3 ARG 2 HB1 ARG 2 -6.371 7.554 -5.188 16 HG2 ARG 2 HG2 ARG 2 -7.725 5.660 -5.867 17 HG3 ARG 2 HG1 ARG 2 -9.189 6.444 -5.273 18 HD2 ARG 2 HD2 ARG 2 -8.939 8.231 -6.924 19 HD3 ARG 2 HD1 ARG 2 -7.427 7.526 -7.488 20 HE ARG 2 HE ARG 2 -9.350 5.532 -7.725 21 HH11 ARG 2 HH11 ARG 2 -8.773 8.732 -8.911 22 HH12 ARG 2 HH12 ARG 2 -9.583 8.469 -10.418 23 HH21 ARG 2 HH21 ARG 2 -10.410 5.178 -9.702 24 HH22 ARG 2 HH22 ARG 2 -10.511 6.456 -10.866 25 H VAL 3 HN VAL 3 -8.408 4.651 -2.903 26 HA VAL 3 HA VAL 3 -6.016 3.088 -3.602 27 HB VAL 3 HB VAL 3 -7.758 2.830 -1.155 28 HG11 VAL 3 HG11 VAL 3 -6.295 0.719 -0.823 29 HG12 VAL 3 HG12 VAL 3 -7.651 0.590 -1.936 30 HG13 VAL 3 HG13 VAL 3 -6.015 0.799 -2.560 31 HG21 VAL 3 HG21 VAL 3 -5.600 4.257 -1.271 32 HG22 VAL 3 HG22 VAL 3 -5.721 3.079 0.031 33 HG23 VAL 3 HG23 VAL 3 -4.749 2.717 -1.393 34 H ARG 4 HN ARG 4 -6.338 1.420 -4.912 35 HA ARG 4 HA ARG 4 -9.107 0.618 -5.528 36 HB2 ARG 4 HB2 ARG 4 -7.550 1.818 -7.297 37 HB3 ARG 4 HB1 ARG 4 -6.899 0.191 -7.486 38 HG2 ARG 4 HG2 ARG 4 -8.646 0.094 -9.010 39 HG3 ARG 4 HG1 ARG 4 -9.486 -0.451 -7.562 40 HD2 ARG 4 HD2 ARG 4 -10.233 1.871 -7.136 41 HD3 ARG 4 HD1 ARG 4 -9.416 2.393 -8.607 42 HE ARG 4 HE ARG 4 -11.141 0.323 -9.330 43 HH11 ARG 4 HH11 ARG 4 -11.275 3.492 -7.948 44 HH12 ARG 4 HH12 ARG 4 -12.841 3.857 -8.593 45 HH21 ARG 4 HH21 ARG 4 -13.195 0.792 -10.175 46 HH22 ARG 4 HH22 ARG 4 -13.928 2.328 -9.853 47 H ARG 5 HN ARG 5 -7.818 -1.427 -7.312 48 HA ARG 5 HA ARG 5 -7.624 -3.506 -5.274 49 HB2 ARG 5 HB2 ARG 5 -7.933 -3.738 -8.259 50 HB3 ARG 5 HB1 ARG 5 -7.944 -5.081 -7.119 51 HG2 ARG 5 HG2 ARG 5 -9.927 -4.248 -6.043 52 HG3 ARG 5 HG1 ARG 5 -9.850 -2.738 -6.956 53 HD2 ARG 5 HD2 ARG 5 -10.200 -5.480 -8.200 54 HD3 ARG 5 HD1 ARG 5 -11.520 -4.358 -7.884 55 HE ARG 5 HE ARG 5 -9.625 -2.963 -9.381 56 HH11 ARG 5 HH11 ARG 5 -11.635 -5.764 -9.680 57 HH12 ARG 5 HH12 ARG 5 -11.811 -5.624 -11.397 58 HH21 ARG 5 HH21 ARG 5 -9.855 -2.771 -11.631 59 HH22 ARG 5 HH22 ARG 5 -10.804 -3.930 -12.503 60 H THR 6 HN THR 6 -6.211 -4.215 -8.260 61 HA THR 6 HA THR 6 -3.594 -4.471 -6.940 62 HB THR 6 HB THR 6 -3.114 -5.935 -8.978 63 HG1 THR 6 HG1 THR 6 -5.354 -4.920 -9.760 64 HG21 THR 6 HG21 THR 6 -4.664 -6.445 -6.589 65 HG22 THR 6 HG22 THR 6 -5.210 -7.490 -7.896 66 HG23 THR 6 HG23 THR 6 -3.516 -7.503 -7.409 67 H LEU 7 HN LEU 7 -4.568 -3.976 -10.288 68 HA LEU 7 HA LEU 7 -3.266 -2.918 -11.942 69 HB2 LEU 7 HB2 LEU 7 -3.702 -0.384 -11.470 70 HB3 LEU 7 HB1 LEU 7 -5.007 -1.481 -11.922 71 HG LEU 7 HG LEU 7 -4.310 -1.140 -9.013 72 HD11 LEU 7 HD11 LEU 7 -6.511 0.491 -9.777 73 HD12 LEU 7 HD12 LEU 7 -5.048 0.934 -8.914 74 HD13 LEU 7 HD13 LEU 7 -5.121 0.973 -10.669 75 HD21 LEU 7 HD21 LEU 7 -7.090 -1.317 -10.048 76 HD22 LEU 7 HD22 LEU 7 -6.108 -2.754 -10.299 77 HD23 LEU 7 HD23 LEU 7 -6.357 -2.124 -8.672 78 H GLN 8 HN GLN 8 -2.738 -0.277 -9.716 79 HA GLN 8 HA GLN 8 0.145 -0.885 -9.673 80 HB2 GLN 8 HB2 GLN 8 -1.000 1.136 -11.197 81 HB3 GLN 8 HB1 GLN 8 -0.484 1.955 -9.723 82 HG2 GLN 8 HG2 GLN 8 1.770 0.939 -9.974 83 HG3 GLN 8 HG1 GLN 8 1.248 0.222 -11.499 84 HE21 GLN 8 HE21 GLN 8 3.246 2.513 -10.742 85 HE22 GLN 8 HE22 GLN 8 2.818 3.755 -11.817 86 H CYS 9 HN CYS 9 1.131 -0.456 -7.823 87 HA CYS 9 HA CYS 9 -0.533 0.534 -5.607 88 HB2 CYS 9 HB2 CYS 9 -0.235 -1.671 -5.151 89 HB3 CYS 9 HB1 CYS 9 1.340 -1.734 -5.907 90 H SER 10 HN SER 10 0.125 2.312 -4.654 91 HA SER 10 HA SER 10 2.996 2.999 -4.683 92 HB2 SER 10 HB2 SER 10 0.668 4.883 -5.112 93 HB3 SER 10 HB1 SER 10 2.355 5.365 -4.965 94 HG SER 10 HG SER 10 2.547 4.903 -6.996 95 H CYS 11 HN CYS 11 3.706 4.290 -2.905 96 HA CYS 11 HA CYS 11 1.866 4.287 -0.595 97 HB2 CYS 11 HB2 CYS 11 4.824 3.712 -0.443 98 HB3 CYS 11 HB1 CYS 11 3.630 3.548 0.843 99 H ARG 12 HN ARG 12 2.080 6.014 0.887 100 HA ARG 12 HA ARG 12 4.042 8.103 0.153 101 HB2 ARG 12 HB2 ARG 12 2.282 9.173 -0.790 102 HB3 ARG 12 HB1 ARG 12 1.083 8.311 0.172 103 HG2 ARG 12 HG2 ARG 12 1.522 9.694 2.081 104 HG3 ARG 12 HG1 ARG 12 2.930 10.414 1.307 105 HD2 ARG 12 HD2 ARG 12 1.457 11.403 -0.410 106 HD3 ARG 12 HD1 ARG 12 0.061 10.686 0.392 107 HE ARG 12 HE ARG 12 1.593 12.990 1.302 108 HH11 ARG 12 HH11 ARG 12 -0.689 10.488 2.021 109 HH12 ARG 12 HH12 ARG 12 -1.383 11.319 3.372 110 HH21 ARG 12 HH21 ARG 12 0.686 14.086 3.075 111 HH22 ARG 12 HH22 ARG 12 -0.605 13.354 3.968 112 H ARG 13 HN ARG 13 4.748 9.387 1.836 113 HA ARG 13 HA ARG 13 4.814 8.173 4.386 114 HB2 ARG 13 HB2 ARG 13 6.575 9.676 3.622 115 HB3 ARG 13 HB1 ARG 13 5.433 11.006 3.658 116 HG2 ARG 13 HG2 ARG 13 5.281 11.002 5.996 117 HG3 ARG 13 HG1 ARG 13 5.924 9.362 6.120 118 HD2 ARG 13 HD2 ARG 13 8.112 10.112 5.415 119 HD3 ARG 13 HD1 ARG 13 7.508 11.739 5.113 120 HE ARG 13 HE ARG 13 8.110 10.554 7.710 121 HH11 ARG 13 HH11 ARG 13 6.597 13.079 5.881 122 HH12 ARG 13 HH12 ARG 13 6.543 14.192 7.206 123 HH21 ARG 13 HH21 ARG 13 8.030 12.010 9.451 124 HH22 ARG 13 HH22 ARG 13 7.353 13.587 9.225 125 H VAL 14 HN VAL 14 3.835 8.540 6.206 126 HA VAL 14 HA VAL 14 2.032 10.640 6.811 127 HB VAL 14 HB VAL 14 0.761 9.365 5.043 128 HG11 VAL 14 HG11 VAL 14 1.587 7.135 6.510 129 HG12 VAL 14 HG12 VAL 14 -0.128 7.297 6.889 130 HG13 VAL 14 HG13 VAL 14 0.405 7.163 5.227 131 HG21 VAL 14 HG21 VAL 14 -1.131 8.981 7.094 132 HG22 VAL 14 HG22 VAL 14 -0.089 10.296 7.635 133 HG23 VAL 14 HG23 VAL 14 -0.925 10.416 6.087 134 H CYS 15 HN CYS 15 3.896 9.892 8.488 135 HA CYS 15 HA CYS 15 4.269 9.218 10.651 136 HB2 CYS 15 HB2 CYS 15 2.471 9.540 11.944 137 HB3 CYS 15 HB1 CYS 15 1.413 9.422 10.549 138 H ARG 16 HN ARG 16 3.198 7.231 8.194 139 HA ARG 16 HA ARG 16 4.839 5.067 8.837 140 HB2 ARG 16 HB2 ARG 16 2.539 5.048 10.427 141 HB3 ARG 16 HB1 ARG 16 2.178 3.932 9.109 142 HG2 ARG 16 HG2 ARG 16 3.260 2.560 10.712 143 HG3 ARG 16 HG1 ARG 16 4.540 2.943 9.574 144 HD2 ARG 16 HD2 ARG 16 5.409 4.673 11.037 145 HD3 ARG 16 HD1 ARG 16 4.032 4.510 12.125 146 HE ARG 16 HE ARG 16 5.034 2.597 13.025 147 HH11 ARG 16 HH11 ARG 16 6.598 3.620 10.117 148 HH12 ARG 16 HH12 ARG 16 7.949 2.551 10.298 149 HH21 ARG 16 HH21 ARG 16 6.809 1.189 13.277 150 HH22 ARG 16 HH22 ARG 16 8.068 1.174 12.088 151 H ASN 17 HN ASN 17 4.408 6.368 6.505 152 HA ASN 17 HA ASN 17 3.889 6.083 4.322 153 HB2 ASN 17 HB2 ASN 17 3.804 3.193 5.151 154 HB3 ASN 17 HB1 ASN 17 3.888 3.787 3.503 155 HD21 ASN 17 HD21 ASN 17 5.885 2.256 5.349 156 HD22 ASN 17 HD22 ASN 17 7.326 3.132 5.155 157 H THR 18 HN THR 18 2.180 5.772 2.910 158 HA THR 18 HA THR 18 -0.473 5.241 4.079 159 HB THR 18 HB THR 18 -0.421 6.863 1.612 160 HG1 THR 18 HG1 THR 18 1.215 7.969 2.539 161 HG21 THR 18 HG21 THR 18 -1.813 7.130 4.292 162 HG22 THR 18 HG22 THR 18 -2.154 8.103 2.861 163 HG23 THR 18 HG23 THR 18 -2.472 6.366 2.839 164 H CYS 19 HN CYS 19 -2.074 4.485 2.535 165 HA CYS 19 HA CYS 19 -0.855 2.651 0.559 166 HB2 CYS 19 HB2 CYS 19 -2.190 1.741 2.498 167 HB3 CYS 19 HB1 CYS 19 -3.597 2.546 1.837 168 H SER 20 HN SER 20 -1.049 3.287 -1.458 169 HA SER 20 HA SER 20 -3.578 4.453 -2.385 170 HB2 SER 20 HB2 SER 20 -0.810 5.566 -2.853 171 HB3 SER 20 HB1 SER 20 -2.222 6.035 -3.797 172 HG SER 20 HG SER 20 -1.715 6.383 -1.034 173 H CYS 21 HN CYS 21 -4.287 2.962 -3.783 174 HA CYS 21 HA CYS 21 -2.365 1.872 -5.736 175 HB2 CYS 21 HB2 CYS 21 -4.920 0.429 -5.211 176 HB3 CYS 21 HB1 CYS 21 -3.352 -0.217 -5.683 177 H ILE 22 HN ILE 22 -2.677 2.555 -7.726 178 HA ILE 22 HA ILE 22 -5.388 3.156 -8.667 179 HB ILE 22 HB ILE 22 -4.274 5.340 -9.659 180 HG12 ILE 22 HG12 ILE 22 -2.769 6.389 -8.016 181 HG13 ILE 22 HG11 ILE 22 -2.790 4.917 -7.044 182 HG21 ILE 22 HG21 ILE 22 -5.294 5.074 -6.817 183 HG22 ILE 22 HG22 ILE 22 -5.225 6.578 -7.734 184 HG23 ILE 22 HG23 ILE 22 -6.288 5.274 -8.261 185 HD11 ILE 22 HD11 ILE 22 -0.821 5.287 -8.720 186 HD12 ILE 22 HD12 ILE 22 -1.580 3.698 -8.638 187 HD13 ILE 22 HD13 ILE 22 -1.996 4.807 -9.944 188 H ARG 23 HN ARG 23 -5.307 3.779 -11.041 189 HA ARG 23 HA ARG 23 -3.364 2.021 -12.372 190 HB2 ARG 23 HB2 ARG 23 -5.012 2.257 -14.322 191 HB3 ARG 23 HB1 ARG 23 -5.552 1.324 -12.928 192 HG2 ARG 23 HG2 ARG 23 -6.747 3.288 -12.058 193 HG3 ARG 23 HG1 ARG 23 -6.180 4.249 -13.424 194 HD2 ARG 23 HD2 ARG 23 -7.368 2.786 -14.984 195 HD3 ARG 23 HD1 ARG 23 -7.877 1.748 -13.655 196 HE ARG 23 HE ARG 23 -8.740 4.356 -13.085 197 HH11 ARG 23 HH11 ARG 23 -9.246 1.816 -15.378 198 HH12 ARG 23 HH12 ARG 23 -10.889 2.252 -15.706 199 HH21 ARG 23 HH21 ARG 23 -10.891 4.941 -13.517 200 HH22 ARG 23 HH22 ARG 23 -11.822 4.021 -14.653 201 H LEU 24 HN LEU 24 -3.555 5.107 -11.573 202 HA LEU 24 HA LEU 24 -2.774 6.242 -14.174 203 HB2 LEU 24 HB2 LEU 24 -3.181 7.622 -11.508 204 HB3 LEU 24 HB1 LEU 24 -2.923 8.414 -13.062 205 HG LEU 24 HG LEU 24 -5.258 6.597 -12.390 206 HD11 LEU 24 HD11 LEU 24 -5.781 8.556 -11.259 207 HD12 LEU 24 HD12 LEU 24 -4.863 9.569 -12.374 208 HD13 LEU 24 HD13 LEU 24 -6.431 8.922 -12.857 209 HD21 LEU 24 HD21 LEU 24 -4.315 7.966 -14.887 210 HD22 LEU 24 HD22 LEU 24 -5.060 6.378 -14.695 211 HD23 LEU 24 HD23 LEU 24 -6.050 7.834 -14.602 212 H SER 25 HN SER 25 -0.800 7.294 -14.506 213 HA SER 25 HA SER 25 1.415 6.172 -13.008 214 HB2 SER 25 HB2 SER 25 2.816 7.159 -14.718 215 HB3 SER 25 HB1 SER 25 1.450 6.364 -15.494 216 HG SER 25 HG SER 25 2.107 8.692 -16.036 217 H ARG 26 HN ARG 26 -0.535 8.846 -12.643 218 HA ARG 26 HA ARG 26 1.490 10.163 -10.963 219 HB2 ARG 26 HB2 ARG 26 0.765 12.376 -11.797 220 HB3 ARG 26 HB1 ARG 26 1.481 11.397 -13.077 221 HG2 ARG 26 HG2 ARG 26 -0.753 10.758 -13.868 222 HG3 ARG 26 HG1 ARG 26 -1.499 11.677 -12.563 223 HD2 ARG 26 HD2 ARG 26 0.325 12.898 -14.646 224 HD3 ARG 26 HD1 ARG 26 -1.433 12.898 -14.760 225 HE ARG 26 HE ARG 26 -0.761 13.966 -12.262 226 HH11 ARG 26 HH11 ARG 26 -0.344 14.644 -15.629 227 HH12 ARG 26 HH12 ARG 26 -0.300 16.363 -15.419 228 HH21 ARG 26 HH21 ARG 26 -0.706 16.219 -11.978 229 HH22 ARG 26 HH22 ARG 26 -0.505 17.255 -13.351 230 H SER 27 HN SER 27 0.557 11.589 -9.343 231 HA SER 27 HA SER 27 -0.983 12.149 -7.730 232 HB2 SER 27 HB2 SER 27 -2.380 12.463 -9.982 233 HB3 SER 27 HB1 SER 27 -3.264 11.087 -9.332 234 HG SER 27 HG SER 27 -3.717 12.260 -7.506 235 H THR 28 HN THR 28 -0.433 10.733 -6.178 236 HA THR 28 HA THR 28 -1.773 8.101 -6.195 237 HB THR 28 HB THR 28 -0.028 7.390 -4.642 238 HG1 THR 28 HG1 THR 28 1.663 8.808 -4.190 239 HG21 THR 28 HG21 THR 28 1.912 7.580 -6.220 240 HG22 THR 28 HG22 THR 28 0.417 7.052 -6.992 241 HG23 THR 28 HG23 THR 28 0.959 8.721 -7.168 242 H TYR 29 HN TYR 29 -1.486 11.140 -4.565 243 HA TYR 29 HA TYR 29 -3.573 10.310 -2.704 244 HB2 TYR 29 HB2 TYR 29 -2.428 10.723 -0.731 245 HB3 TYR 29 HB1 TYR 29 -1.146 10.014 -1.712 246 HD1 TYR 29 HD1 TYR 29 -1.818 12.635 0.457 247 HD2 TYR 29 HD2 TYR 29 -0.025 11.892 -3.380 248 HE1 TYR 29 HE1 TYR 29 -0.507 14.728 0.661 249 HE2 TYR 29 HE2 TYR 29 1.289 13.985 -3.169 250 HH TYR 29 HH TYR 29 1.697 15.617 -0.301 251 H ALA 30 HN ALA 30 -4.614 12.136 -1.658 252 HA ALA 30 HA ALA 30 -4.114 14.714 -3.027 253 HB1 ALA 30 HB1 ALA 30 -6.089 14.022 -4.053 254 HB2 ALA 30 HB2 ALA 30 -6.684 13.226 -2.596 255 HB3 ALA 30 HB3 ALA 30 -6.687 14.986 -2.703 256 H SER 31 HN SER 31 -4.207 13.079 -0.133 257 HA SER 31 HA SER 31 -4.480 15.609 1.356 258 HB2 SER 31 HB2 SER 31 -6.265 14.896 2.508 259 HB3 SER 31 HB1 SER 31 -6.358 13.508 1.427 260 HG SER 31 HG SER 31 -6.106 12.667 3.435 261 H LEU 41 HN LEU 41 7.193 -7.738 6.439 262 HA LEU 41 HA LEU 41 8.173 -5.574 6.856 263 HB2 LEU 41 HB2 LEU 41 10.149 -7.787 6.404 264 HB3 LEU 41 HB1 LEU 41 10.721 -6.180 6.844 265 HG LEU 41 HG LEU 41 8.534 -7.560 8.408 266 HD11 LEU 41 HD11 LEU 41 10.369 -9.104 8.503 267 HD12 LEU 41 HD12 LEU 41 11.535 -7.799 8.721 268 HD13 LEU 41 HD13 LEU 41 10.396 -8.188 10.011 269 HD21 LEU 41 HD21 LEU 41 9.675 -4.989 8.514 270 HD22 LEU 41 HD22 LEU 41 8.667 -5.742 9.747 271 HD23 LEU 41 HD23 LEU 41 10.420 -5.869 9.846 272 H ARG 42 HN ARG 42 7.627 -6.144 3.876 273 HA ARG 42 HA ARG 42 9.288 -3.945 2.906 274 HB2 ARG 42 HB2 ARG 42 9.985 -5.175 0.905 275 HB3 ARG 42 HB1 ARG 42 10.572 -5.984 2.357 276 HG2 ARG 42 HG2 ARG 42 8.604 -7.516 2.257 277 HG3 ARG 42 HG1 ARG 42 8.120 -6.754 0.743 278 HD2 ARG 42 HD2 ARG 42 10.264 -7.404 -0.280 279 HD3 ARG 42 HD1 ARG 42 10.759 -8.161 1.232 280 HE ARG 42 HE ARG 42 8.282 -9.257 0.428 281 HH11 ARG 42 HH11 ARG 42 11.619 -9.132 -0.476 282 HH12 ARG 42 HH12 ARG 42 11.617 -10.693 -1.226 283 HH21 ARG 42 HH21 ARG 42 8.272 -11.306 -0.550 284 HH22 ARG 42 HH22 ARG 42 9.722 -11.925 -1.267 285 H VAL 43 HN VAL 43 8.451 -2.953 0.998 286 HA VAL 43 HA VAL 43 5.678 -3.735 0.330 287 HB VAL 43 HB VAL 43 6.751 -0.923 0.681 288 HG11 VAL 43 HG11 VAL 43 5.101 -0.410 -0.777 289 HG12 VAL 43 HG12 VAL 43 4.432 -2.040 -0.710 290 HG13 VAL 43 HG13 VAL 43 3.983 -0.852 0.514 291 HG21 VAL 43 HG21 VAL 43 5.183 -0.817 2.574 292 HG22 VAL 43 HG22 VAL 43 4.700 -2.487 2.282 293 HG23 VAL 43 HG23 VAL 43 6.339 -2.126 2.812 294 H ARG 44 HN ARG 44 5.460 -4.219 -1.753 295 HA ARG 44 HA ARG 44 7.372 -3.040 -3.695 296 HB2 ARG 44 HB2 ARG 44 7.148 -5.647 -3.209 297 HB3 ARG 44 HB1 ARG 44 5.809 -5.490 -4.338 298 HG2 ARG 44 HG2 ARG 44 7.547 -5.889 -5.824 299 HG3 ARG 44 HG1 ARG 44 7.607 -4.128 -5.753 300 HD2 ARG 44 HD2 ARG 44 9.849 -4.827 -5.428 301 HD3 ARG 44 HD1 ARG 44 9.261 -4.411 -3.821 302 HE ARG 44 HE ARG 44 8.815 -7.171 -4.350 303 HH11 ARG 44 HH11 ARG 44 11.269 -4.840 -3.645 304 HH12 ARG 44 HH12 ARG 44 12.319 -5.975 -2.865 305 HH21 ARG 44 HH21 ARG 44 10.184 -8.669 -3.336 306 HH22 ARG 44 HH22 ARG 44 11.704 -8.146 -2.691 307 H ARG 45 HN ARG 45 5.901 -3.927 -5.964 308 HA ARG 45 HA ARG 45 3.262 -2.892 -5.879 309 HB2 ARG 45 HB2 ARG 45 3.840 -1.057 -7.550 310 HB3 ARG 45 HB1 ARG 45 4.239 -0.735 -5.867 311 HG2 ARG 45 HG2 ARG 45 6.553 -1.295 -6.244 312 HG3 ARG 45 HG1 ARG 45 6.199 -1.906 -7.860 313 HD2 ARG 45 HD2 ARG 45 5.692 0.963 -7.046 314 HD3 ARG 45 HD1 ARG 45 7.206 0.431 -7.772 315 HE ARG 45 HE ARG 45 5.084 -0.446 -9.404 316 HH11 ARG 45 HH11 ARG 45 6.618 2.464 -8.321 317 HH12 ARG 45 HH12 ARG 45 6.237 3.361 -9.753 318 HH21 ARG 45 HH21 ARG 45 4.588 0.726 -11.288 319 HH22 ARG 45 HH22 ARG 45 5.089 2.377 -11.431 320 H THR 46 HN THR 46 2.266 -2.889 -8.045 321 HA THR 46 HA THR 46 2.001 -3.612 -10.235 322 HB THR 46 HB THR 46 4.530 -5.143 -10.324 323 HG1 THR 46 HG1 THR 46 5.229 -3.384 -9.243 324 HG21 THR 46 HG21 THR 46 3.493 -3.024 -12.197 325 HG22 THR 46 HG22 THR 46 4.592 -4.354 -12.557 326 HG23 THR 46 HG23 THR 46 2.888 -4.681 -12.240 327 H LEU 47 HN LEU 47 1.450 -4.969 -7.699 328 HA LEU 47 HA LEU 47 0.898 -7.568 -8.864 329 HB2 LEU 47 HB2 LEU 47 1.589 -8.551 -6.536 330 HB3 LEU 47 HB1 LEU 47 2.800 -8.274 -7.789 331 HG LEU 47 HG LEU 47 2.287 -5.886 -6.141 332 HD11 LEU 47 HD11 LEU 47 3.132 -8.467 -4.884 333 HD12 LEU 47 HD12 LEU 47 3.799 -6.950 -4.318 334 HD13 LEU 47 HD13 LEU 47 2.063 -7.208 -4.265 335 HD21 LEU 47 HD21 LEU 47 4.652 -5.713 -6.299 336 HD22 LEU 47 HD22 LEU 47 4.845 -7.436 -6.573 337 HD23 LEU 47 HD23 LEU 47 4.166 -6.418 -7.839 338 H GLN 48 HN GLN 48 0.718 -7.262 -5.436 339 HA GLN 48 HA GLN 48 -2.207 -6.871 -5.572 340 HB2 GLN 48 HB2 GLN 48 -0.840 -9.078 -4.567 341 HB3 GLN 48 HB1 GLN 48 -1.236 -8.122 -3.136 342 HG2 GLN 48 HG2 GLN 48 -3.195 -9.006 -5.267 343 HG3 GLN 48 HG1 GLN 48 -3.048 -9.693 -3.649 344 HE21 GLN 48 HE21 GLN 48 -5.372 -8.218 -4.876 345 HE22 GLN 48 HE22 GLN 48 -5.669 -6.914 -3.831 346 H CYS 49 HN CYS 49 -3.027 -5.304 -4.326 347 HA CYS 49 HA CYS 49 -1.148 -3.775 -2.662 348 HB2 CYS 49 HB2 CYS 49 -2.150 -2.905 -4.870 349 HB3 CYS 49 HB1 CYS 49 -3.622 -2.705 -3.914 350 H SER 50 HN SER 50 -1.538 -3.805 -0.583 351 HA SER 50 HA SER 50 -4.331 -3.971 0.338 352 HB2 SER 50 HB2 SER 50 -1.936 -5.382 1.536 353 HB3 SER 50 HB1 SER 50 -3.563 -5.386 2.211 354 HG SER 50 HG SER 50 -4.272 -6.402 0.304 355 H CYS 51 HN CYS 51 -4.721 -2.969 2.402 356 HA CYS 51 HA CYS 51 -2.631 -1.045 3.239 357 HB2 CYS 51 HB2 CYS 51 -5.556 -0.388 3.311 358 HB3 CYS 51 HB1 CYS 51 -4.171 0.706 3.296 359 H ARG 52 HN ARG 52 -2.573 -0.523 5.461 360 HA ARG 52 HA ARG 52 -4.448 -1.985 7.203 361 HB2 ARG 52 HB2 ARG 52 -2.747 -3.461 7.493 362 HB3 ARG 52 HB1 ARG 52 -1.499 -2.301 7.045 363 HG2 ARG 52 HG2 ARG 52 -1.592 -1.258 9.189 364 HG3 ARG 52 HG1 ARG 52 -3.058 -2.127 9.622 365 HD2 ARG 52 HD2 ARG 52 -1.850 -4.235 9.631 366 HD3 ARG 52 HD1 ARG 52 -0.382 -3.430 9.086 367 HE ARG 52 HE ARG 52 -1.519 -3.353 11.772 368 HH11 ARG 52 HH11 ARG 52 0.698 -2.042 9.454 369 HH12 ARG 52 HH12 ARG 52 1.725 -1.317 10.644 370 HH21 ARG 52 HH21 ARG 52 -0.171 -2.400 13.334 371 HH22 ARG 52 HH22 ARG 52 1.234 -1.517 12.837 372 H ARG 53 HN ARG 53 -4.812 -1.059 9.190 373 HA ARG 53 HA ARG 53 -4.516 1.792 9.269 374 HB2 ARG 53 HB2 ARG 53 -6.449 0.523 10.222 375 HB3 ARG 53 HB1 ARG 53 -5.390 0.019 11.520 376 HG2 ARG 53 HG2 ARG 53 -5.839 1.955 12.592 377 HG3 ARG 53 HG1 ARG 53 -5.059 2.809 11.281 378 HD2 ARG 53 HD2 ARG 53 -7.085 3.015 10.045 379 HD3 ARG 53 HD1 ARG 53 -7.940 1.948 11.164 380 HE ARG 53 HE ARG 53 -7.262 4.748 11.606 381 HH11 ARG 53 HH11 ARG 53 -8.323 1.711 12.900 382 HH12 ARG 53 HH12 ARG 53 -9.053 2.414 14.304 383 HH21 ARG 53 HH21 ARG 53 -8.211 5.664 13.444 384 HH22 ARG 53 HH22 ARG 53 -8.989 4.651 14.613 385 H VAL 54 HN VAL 54 -3.412 3.005 10.703 386 HA VAL 54 HA VAL 54 -1.763 2.162 12.795 387 HB VAL 54 HB VAL 54 -0.473 1.043 11.077 388 HG11 VAL 54 HG11 VAL 54 -0.239 3.764 9.757 389 HG12 VAL 54 HG12 VAL 54 0.531 2.283 9.224 390 HG13 VAL 54 HG13 VAL 54 -1.219 2.427 9.179 391 HG21 VAL 54 HG21 VAL 54 1.522 1.680 11.954 392 HG22 VAL 54 HG22 VAL 54 1.277 3.373 11.518 393 HG23 VAL 54 HG23 VAL 54 0.523 2.719 12.971 394 H CYS 55 HN CYS 55 -3.241 4.207 13.038 395 HA CYS 55 HA CYS 55 -3.107 6.398 13.746 396 HB2 CYS 55 HB2 CYS 55 -1.128 7.499 13.927 397 HB3 CYS 55 HB1 CYS 55 -0.419 5.955 13.482 398 H ARG 56 HN ARG 56 -3.204 5.113 10.755 399 HA ARG 56 HA ARG 56 -4.898 6.989 9.675 400 HB2 ARG 56 HB2 ARG 56 -2.195 7.874 9.539 401 HB3 ARG 56 HB1 ARG 56 -2.695 7.404 7.910 402 HG2 ARG 56 HG2 ARG 56 -4.008 9.250 7.693 403 HG3 ARG 56 HG1 ARG 56 -4.767 9.019 9.256 404 HD2 ARG 56 HD2 ARG 56 -2.852 10.066 10.376 405 HD3 ARG 56 HD1 ARG 56 -2.051 10.269 8.825 406 HE ARG 56 HE ARG 56 -4.511 11.501 8.542 407 HH11 ARG 56 HH11 ARG 56 -1.759 11.753 10.622 408 HH12 ARG 56 HH12 ARG 56 -1.953 13.452 10.902 409 HH21 ARG 56 HH21 ARG 56 -4.770 13.729 8.900 410 HH22 ARG 56 HH22 ARG 56 -3.658 14.571 9.927 411 H ASN 57 HN ASN 57 -2.234 5.070 8.642 412 HA ASN 57 HA ASN 57 -3.517 2.947 7.518 413 HB2 ASN 57 HB2 ASN 57 -3.717 5.357 5.837 414 HB3 ASN 57 HB1 ASN 57 -3.115 3.928 5.011 415 HD21 ASN 57 HD21 ASN 57 -5.920 5.442 5.249 416 HD22 ASN 57 HD22 ASN 57 -7.001 4.143 5.410 417 H THR 58 HN THR 58 -2.163 1.568 6.410 418 HA THR 58 HA THR 58 0.673 2.358 6.143 419 HB THR 58 HB THR 58 0.182 -0.519 6.496 420 HG1 THR 58 HG1 THR 58 -1.304 0.114 7.990 421 HG21 THR 58 HG21 THR 58 2.064 -0.177 8.165 422 HG22 THR 58 HG22 THR 58 2.431 0.266 6.498 423 HG23 THR 58 HG23 THR 58 2.082 1.517 7.692 424 H CYS 59 HN CYS 59 1.877 1.160 4.553 425 HA CYS 59 HA CYS 59 0.187 0.399 2.244 426 HB2 CYS 59 HB2 CYS 59 1.916 2.374 2.261 427 HB3 CYS 59 HB1 CYS 59 3.102 1.094 2.100 428 H SER 60 HN SER 60 0.085 -1.724 1.932 429 HA SER 60 HA SER 60 2.555 -3.305 2.163 430 HB2 SER 60 HB2 SER 60 1.212 -5.166 3.121 431 HB3 SER 60 HB1 SER 60 1.297 -3.763 4.188 432 HG SER 60 HG SER 60 -0.819 -4.116 4.132 433 H CYS 61 HN CYS 61 2.932 -3.818 0.094 434 HA CYS 61 HA CYS 61 0.697 -4.969 -1.452 435 HB2 CYS 61 HB2 CYS 61 3.013 -3.355 -2.503 436 HB3 CYS 61 HB1 CYS 61 1.813 -4.148 -3.510 437 H ILE 62 HN ILE 62 0.974 -7.002 -2.003 438 HA ILE 62 HA ILE 62 3.621 -8.145 -2.453 439 HB ILE 62 HB ILE 62 2.965 -9.977 -0.652 440 HG12 ILE 62 HG12 ILE 62 2.021 -8.934 1.349 441 HG13 ILE 62 HG11 ILE 62 1.813 -7.419 0.479 442 HG21 ILE 62 HG21 ILE 62 4.171 -7.369 0.297 443 HG22 ILE 62 HG22 ILE 62 4.543 -8.998 0.844 444 HG23 ILE 62 HG23 ILE 62 5.051 -8.479 -0.761 445 HD11 ILE 62 HD11 ILE 62 -0.213 -9.070 0.695 446 HD12 ILE 62 HD12 ILE 62 0.084 -8.265 -0.844 447 HD13 ILE 62 HD13 ILE 62 0.593 -9.940 -0.613 448 H ARG 63 HN ARG 63 3.565 -10.250 -3.349 449 HA ARG 63 HA ARG 63 1.267 -10.780 -4.920 450 HB2 ARG 63 HB2 ARG 63 3.711 -12.461 -4.364 451 HB3 ARG 63 HB1 ARG 63 2.461 -12.900 -5.528 452 HG2 ARG 63 HG2 ARG 63 2.841 -10.722 -6.694 453 HG3 ARG 63 HG1 ARG 63 4.177 -10.407 -5.590 454 HD2 ARG 63 HD2 ARG 63 5.279 -12.492 -6.350 455 HD3 ARG 63 HD1 ARG 63 3.966 -12.751 -7.495 456 HE ARG 63 HE ARG 63 6.127 -10.832 -7.746 457 HH11 ARG 63 HH11 ARG 63 2.920 -11.750 -8.665 458 HH12 ARG 63 HH12 ARG 63 2.951 -10.876 -10.160 459 HH21 ARG 63 HH21 ARG 63 6.175 -9.686 -9.705 460 HH22 ARG 63 HH22 ARG 63 4.793 -9.707 -10.749 461 H LEU 64 HN LEU 64 2.541 -12.167 -2.005 462 HA LEU 64 HA LEU 64 -0.060 -13.437 -1.460 463 HB2 LEU 64 HB2 LEU 64 2.592 -14.891 -1.425 464 HB3 LEU 64 HB1 LEU 64 1.122 -15.517 -0.680 465 HG LEU 64 HG LEU 64 1.349 -14.750 -3.608 466 HD11 LEU 64 HD11 LEU 64 2.793 -16.651 -3.196 467 HD12 LEU 64 HD12 LEU 64 1.531 -17.455 -2.263 468 HD13 LEU 64 HD13 LEU 64 1.328 -17.219 -3.999 469 HD21 LEU 64 HD21 LEU 64 -0.846 -15.661 -1.838 470 HD22 LEU 64 HD22 LEU 64 -0.920 -14.776 -3.360 471 HD23 LEU 64 HD23 LEU 64 -0.717 -16.526 -3.368 472 H SER 65 HN SER 65 0.809 -14.829 0.825 473 HA SER 65 HA SER 65 1.452 -14.570 3.030 474 HB2 SER 65 HB2 SER 65 3.215 -12.928 1.883 475 HB3 SER 65 HB1 SER 65 2.210 -11.712 2.663 476 HG SER 65 HG SER 65 2.490 -13.493 4.479 477 H ARG 66 HN ARG 66 -1.140 -14.185 2.038 478 HA ARG 66 HA ARG 66 -2.539 -11.917 2.643 479 HB2 ARG 66 HB2 ARG 66 -3.181 -14.818 2.947 480 HB3 ARG 66 HB1 ARG 66 -4.296 -13.640 3.639 481 HG2 ARG 66 HG2 ARG 66 -3.320 -13.175 0.854 482 HG3 ARG 66 HG1 ARG 66 -4.530 -14.430 1.109 483 HD2 ARG 66 HD2 ARG 66 -4.796 -11.577 2.097 484 HD3 ARG 66 HD1 ARG 66 -5.523 -12.183 0.612 485 HE ARG 66 HE ARG 66 -6.312 -13.872 2.717 486 HH11 ARG 66 HH11 ARG 66 -6.667 -10.607 1.622 487 HH12 ARG 66 HH12 ARG 66 -8.233 -10.395 2.330 488 HH21 ARG 66 HH21 ARG 66 -8.365 -13.598 3.650 489 HH22 ARG 66 HH22 ARG 66 -9.195 -12.088 3.478 490 H SER 67 HN SER 67 -3.234 -10.832 4.399 491 HA SER 67 HA SER 67 -3.181 -10.023 6.551 492 HB2 SER 67 HB2 SER 67 -3.312 -12.975 7.198 493 HB3 SER 67 HB1 SER 67 -3.667 -11.664 8.319 494 HG SER 67 HG SER 67 -5.298 -12.815 6.606 495 H THR 68 HN THR 68 -0.721 -9.966 5.463 496 HA THR 68 HA THR 68 1.310 -11.400 6.784 497 HB THR 68 HB THR 68 1.409 -8.614 5.601 498 HG1 THR 68 HG1 THR 68 2.589 -10.581 4.209 499 HG21 THR 68 HG21 THR 68 3.428 -8.642 6.670 500 HG22 THR 68 HG22 THR 68 3.428 -10.398 6.839 501 HG23 THR 68 HG23 THR 68 3.896 -9.659 5.307 502 H TYR 69 HN TYR 69 -0.174 -8.248 7.493 503 HA TYR 69 HA TYR 69 1.223 -8.267 10.071 504 HB2 TYR 69 HB2 TYR 69 1.264 -6.240 8.423 505 HB3 TYR 69 HB1 TYR 69 -0.329 -5.895 9.068 506 HD1 TYR 69 HD1 TYR 69 1.961 -4.043 9.358 507 HD2 TYR 69 HD2 TYR 69 0.709 -7.233 11.964 508 HE1 TYR 69 HE1 TYR 69 3.100 -2.957 11.264 509 HE2 TYR 69 HE2 TYR 69 1.835 -6.140 13.842 510 HH TYR 69 HH TYR 69 2.589 -3.199 14.092 511 H ALA 70 HN ALA 70 -0.983 -6.157 10.693 512 HA ALA 70 HA ALA 70 -2.908 -6.077 11.887 513 HB1 ALA 70 HB1 ALA 70 -4.737 -7.327 11.136 514 HB2 ALA 70 HB2 ALA 70 -3.689 -7.302 9.717 515 HB3 ALA 70 HB3 ALA 70 -3.742 -8.731 10.750 516 H SER 71 HN SER 71 -0.749 -7.001 13.265 517 HA SER 71 HA SER 71 -1.997 -8.679 15.273 518 HB2 SER 71 HB2 SER 71 -1.003 -10.625 14.768 519 HB3 SER 71 HB1 SER 71 -0.400 -9.894 13.284 520 HG SER 71 HG SER 71 1.454 -9.313 14.336 Start of MODEL 17 1 H LEU 1 HN LEU 1 -9.390 7.893 -4.642 2 HA LEU 1 HA LEU 1 -10.709 8.230 -2.667 3 HB2 LEU 1 HB2 LEU 1 -13.029 7.197 -4.312 4 HB3 LEU 1 HB1 LEU 1 -13.102 7.918 -2.705 5 HG LEU 1 HG LEU 1 -12.175 9.335 -5.223 6 HD11 LEU 1 HD11 LEU 1 -14.287 10.702 -4.716 7 HD12 LEU 1 HD12 LEU 1 -14.538 9.084 -5.371 8 HD13 LEU 1 HD13 LEU 1 -14.754 9.381 -3.645 9 HD21 LEU 1 HD21 LEU 1 -11.033 10.402 -3.474 10 HD22 LEU 1 HD22 LEU 1 -12.528 11.335 -3.560 11 HD23 LEU 1 HD23 LEU 1 -12.327 10.101 -2.315 12 H ARG 2 HN ARG 2 -10.068 5.644 -4.676 13 HA ARG 2 HA ARG 2 -10.513 3.712 -2.482 14 HB2 ARG 2 HB2 ARG 2 -10.806 3.227 -5.459 15 HB3 ARG 2 HB1 ARG 2 -10.946 1.995 -4.208 16 HG2 ARG 2 HG2 ARG 2 -12.676 4.458 -4.099 17 HG3 ARG 2 HG1 ARG 2 -13.122 3.110 -5.144 18 HD2 ARG 2 HD2 ARG 2 -12.625 2.916 -2.154 19 HD3 ARG 2 HD1 ARG 2 -14.201 2.924 -2.935 20 HE ARG 2 HE ARG 2 -12.326 0.711 -2.860 21 HH11 ARG 2 HH11 ARG 2 -15.044 2.210 -4.384 22 HH12 ARG 2 HH12 ARG 2 -15.646 0.740 -5.074 23 HH21 ARG 2 HH21 ARG 2 -13.101 -1.223 -3.770 24 HH22 ARG 2 HH22 ARG 2 -14.545 -1.204 -4.727 25 H VAL 3 HN VAL 3 -8.905 2.218 -2.129 26 HA VAL 3 HA VAL 3 -6.534 2.299 -3.862 27 HB VAL 3 HB VAL 3 -6.138 3.929 -2.045 28 HG11 VAL 3 HG11 VAL 3 -6.016 1.834 0.034 29 HG12 VAL 3 HG12 VAL 3 -6.592 3.497 0.142 30 HG13 VAL 3 HG13 VAL 3 -7.644 2.240 -0.510 31 HG21 VAL 3 HG21 VAL 3 -4.393 2.158 -2.949 32 HG22 VAL 3 HG22 VAL 3 -3.986 3.202 -1.597 33 HG23 VAL 3 HG23 VAL 3 -4.490 1.536 -1.309 34 H ARG 4 HN ARG 4 -6.819 0.200 -4.551 35 HA ARG 4 HA ARG 4 -5.901 -1.896 -2.894 36 HB2 ARG 4 HB2 ARG 4 -8.403 -1.424 -2.146 37 HB3 ARG 4 HB1 ARG 4 -8.767 -2.377 -3.581 38 HG2 ARG 4 HG2 ARG 4 -7.202 -4.154 -2.720 39 HG3 ARG 4 HG1 ARG 4 -7.038 -3.216 -1.236 40 HD2 ARG 4 HD2 ARG 4 -8.741 -4.858 -0.832 41 HD3 ARG 4 HD1 ARG 4 -9.556 -3.306 -1.014 42 HE ARG 4 HE ARG 4 -9.377 -4.647 -3.522 43 HH11 ARG 4 HH11 ARG 4 -11.004 -4.634 -0.473 44 HH12 ARG 4 HH12 ARG 4 -12.458 -5.346 -1.089 45 HH21 ARG 4 HH21 ARG 4 -11.271 -5.582 -4.341 46 HH22 ARG 4 HH22 ARG 4 -12.609 -5.884 -3.284 47 H ARG 5 HN ARG 5 -7.810 -3.730 -4.333 48 HA ARG 5 HA ARG 5 -7.816 -5.011 -6.221 49 HB2 ARG 5 HB2 ARG 5 -7.189 -2.364 -7.484 50 HB3 ARG 5 HB1 ARG 5 -7.660 -3.801 -8.378 51 HG2 ARG 5 HG2 ARG 5 -9.800 -3.847 -7.163 52 HG3 ARG 5 HG1 ARG 5 -9.317 -2.411 -6.256 53 HD2 ARG 5 HD2 ARG 5 -10.732 -1.719 -8.111 54 HD3 ARG 5 HD1 ARG 5 -9.084 -1.176 -8.416 55 HE ARG 5 HE ARG 5 -9.506 -3.733 -9.590 56 HH11 ARG 5 HH11 ARG 5 -10.290 -0.375 -9.917 57 HH12 ARG 5 HH12 ARG 5 -10.485 -0.448 -11.635 58 HH21 ARG 5 HH21 ARG 5 -9.759 -3.830 -11.846 59 HH22 ARG 5 HH22 ARG 5 -10.185 -2.401 -12.727 60 H THR 6 HN THR 6 -5.955 -4.000 -8.516 61 HA THR 6 HA THR 6 -3.436 -5.090 -7.413 62 HB THR 6 HB THR 6 -3.164 -6.216 -9.672 63 HG1 THR 6 HG1 THR 6 -5.795 -5.249 -9.829 64 HG21 THR 6 HG21 THR 6 -3.795 -8.022 -8.463 65 HG22 THR 6 HG22 THR 6 -4.740 -6.993 -7.386 66 HG23 THR 6 HG23 THR 6 -5.472 -7.657 -8.843 67 H LEU 7 HN LEU 7 -4.449 -3.925 -10.572 68 HA LEU 7 HA LEU 7 -3.045 -2.767 -12.077 69 HB2 LEU 7 HB2 LEU 7 -3.440 -0.279 -11.449 70 HB3 LEU 7 HB1 LEU 7 -4.788 -1.320 -11.877 71 HG LEU 7 HG LEU 7 -4.095 -1.357 -8.998 72 HD11 LEU 7 HD11 LEU 7 -4.928 1.151 -10.381 73 HD12 LEU 7 HD12 LEU 7 -5.329 0.841 -8.695 74 HD13 LEU 7 HD13 LEU 7 -3.647 0.890 -9.192 75 HD21 LEU 7 HD21 LEU 7 -6.602 -1.155 -10.680 76 HD22 LEU 7 HD22 LEU 7 -6.138 -2.411 -9.529 77 HD23 LEU 7 HD23 LEU 7 -6.625 -0.812 -8.966 78 H GLN 8 HN GLN 8 -2.433 -0.275 -9.799 79 HA GLN 8 HA GLN 8 0.413 -1.014 -9.656 80 HB2 GLN 8 HB2 GLN 8 -0.560 1.084 -11.194 81 HB3 GLN 8 HB1 GLN 8 -0.102 1.869 -9.682 82 HG2 GLN 8 HG2 GLN 8 1.873 1.897 -11.004 83 HG3 GLN 8 HG1 GLN 8 2.111 0.571 -9.868 84 HE21 GLN 8 HE21 GLN 8 0.001 0.476 -12.759 85 HE22 GLN 8 HE22 GLN 8 0.891 -0.724 -13.561 86 H CYS 9 HN CYS 9 1.309 -0.751 -7.772 87 HA CYS 9 HA CYS 9 -0.359 0.361 -5.649 88 HB2 CYS 9 HB2 CYS 9 -0.303 -1.874 -5.213 89 HB3 CYS 9 HB1 CYS 9 1.321 -2.077 -5.849 90 H SER 10 HN SER 10 0.335 2.116 -4.786 91 HA SER 10 HA SER 10 3.241 2.550 -4.510 92 HB2 SER 10 HB2 SER 10 1.131 4.601 -5.209 93 HB3 SER 10 HB1 SER 10 2.828 4.952 -4.890 94 HG SER 10 HG SER 10 2.287 4.693 -7.146 95 H CYS 11 HN CYS 11 3.901 3.602 -2.619 96 HA CYS 11 HA CYS 11 1.821 4.048 -0.564 97 HB2 CYS 11 HB2 CYS 11 4.477 2.683 -0.065 98 HB3 CYS 11 HB1 CYS 11 3.135 2.854 1.067 99 H ARG 12 HN ARG 12 2.378 5.613 1.053 100 HA ARG 12 HA ARG 12 4.831 7.184 0.499 101 HB2 ARG 12 HB2 ARG 12 3.338 8.616 -0.467 102 HB3 ARG 12 HB1 ARG 12 1.983 8.064 0.514 103 HG2 ARG 12 HG2 ARG 12 2.736 9.306 2.396 104 HG3 ARG 12 HG1 ARG 12 4.294 9.621 1.649 105 HD2 ARG 12 HD2 ARG 12 1.674 10.617 0.537 106 HD3 ARG 12 HD1 ARG 12 2.698 11.567 1.608 107 HE ARG 12 HE ARG 12 4.281 10.675 -0.535 108 HH11 ARG 12 HH11 ARG 12 1.580 12.724 0.140 109 HH12 ARG 12 HH12 ARG 12 1.892 13.808 -1.174 110 HH21 ARG 12 HH21 ARG 12 4.698 12.084 -2.269 111 HH22 ARG 12 HH22 ARG 12 3.662 13.444 -2.541 112 H ARG 13 HN ARG 13 5.553 8.445 2.323 113 HA ARG 13 HA ARG 13 5.302 7.003 4.778 114 HB2 ARG 13 HB2 ARG 13 7.370 8.171 4.147 115 HB3 ARG 13 HB1 ARG 13 6.509 9.689 4.274 116 HG2 ARG 13 HG2 ARG 13 6.248 7.990 6.631 117 HG3 ARG 13 HG1 ARG 13 7.888 8.543 6.342 118 HD2 ARG 13 HD2 ARG 13 5.405 10.213 6.740 119 HD3 ARG 13 HD1 ARG 13 6.864 10.186 7.693 120 HE ARG 13 HE ARG 13 7.599 10.974 5.114 121 HH11 ARG 13 HH11 ARG 13 5.709 12.058 7.798 122 HH12 ARG 13 HH12 ARG 13 5.939 13.741 7.464 123 HH21 ARG 13 HH21 ARG 13 7.906 13.198 4.663 124 HH22 ARG 13 HH22 ARG 13 7.178 14.386 5.694 125 H VAL 14 HN VAL 14 4.401 7.588 6.638 126 HA VAL 14 HA VAL 14 3.091 10.020 7.242 127 HB VAL 14 HB VAL 14 1.572 9.192 5.464 128 HG11 VAL 14 HG11 VAL 14 1.994 6.738 6.742 129 HG12 VAL 14 HG12 VAL 14 0.301 7.144 7.053 130 HG13 VAL 14 HG13 VAL 14 0.906 7.080 5.400 131 HG21 VAL 14 HG21 VAL 14 -0.361 8.900 7.480 132 HG22 VAL 14 HG22 VAL 14 0.876 9.961 8.155 133 HG23 VAL 14 HG23 VAL 14 0.078 10.387 6.638 134 H CYS 15 HN CYS 15 4.639 9.081 8.946 135 HA CYS 15 HA CYS 15 4.866 8.419 11.111 136 HB2 CYS 15 HB2 CYS 15 3.038 8.526 12.422 137 HB3 CYS 15 HB1 CYS 15 2.069 8.732 10.965 138 H ARG 16 HN ARG 16 4.187 6.598 8.501 139 HA ARG 16 HA ARG 16 5.662 4.398 9.354 140 HB2 ARG 16 HB2 ARG 16 3.059 4.293 10.355 141 HB3 ARG 16 HB1 ARG 16 3.074 3.265 8.918 142 HG2 ARG 16 HG2 ARG 16 3.706 1.780 10.643 143 HG3 ARG 16 HG1 ARG 16 5.236 2.220 9.903 144 HD2 ARG 16 HD2 ARG 16 4.125 3.696 12.307 145 HD3 ARG 16 HD1 ARG 16 5.137 2.264 12.462 146 HE ARG 16 HE ARG 16 5.993 4.904 11.561 147 HH11 ARG 16 HH11 ARG 16 6.706 1.524 11.933 148 HH12 ARG 16 HH12 ARG 16 8.418 1.747 11.797 149 HH21 ARG 16 HH21 ARG 16 8.214 5.178 11.374 150 HH22 ARG 16 HH22 ARG 16 9.270 3.810 11.479 151 H ASN 17 HN ASN 17 2.952 5.242 7.424 152 HA ASN 17 HA ASN 17 3.986 5.116 4.906 153 HB2 ASN 17 HB2 ASN 17 3.618 2.437 6.044 154 HB3 ASN 17 HB1 ASN 17 2.873 2.680 4.472 155 HD21 ASN 17 HD21 ASN 17 5.609 1.413 5.607 156 HD22 ASN 17 HD22 ASN 17 6.730 1.963 4.457 157 H THR 18 HN THR 18 2.422 5.182 3.259 158 HA THR 18 HA THR 18 -0.420 5.343 4.121 159 HB THR 18 HB THR 18 0.161 6.799 1.676 160 HG1 THR 18 HG1 THR 18 1.986 7.594 2.444 161 HG21 THR 18 HG21 THR 18 -1.100 7.573 4.333 162 HG22 THR 18 HG22 THR 18 -1.089 8.591 2.892 163 HG23 THR 18 HG23 THR 18 -1.928 7.039 2.872 164 H CYS 19 HN CYS 19 -1.926 5.002 2.412 165 HA CYS 19 HA CYS 19 -1.005 2.904 0.563 166 HB2 CYS 19 HB2 CYS 19 -3.597 3.542 1.946 167 HB3 CYS 19 HB1 CYS 19 -3.563 2.479 0.548 168 H SER 20 HN SER 20 -0.993 3.304 -1.505 169 HA SER 20 HA SER 20 -3.035 4.941 -2.768 170 HB2 SER 20 HB2 SER 20 -1.287 6.214 -4.043 171 HB3 SER 20 HB1 SER 20 -1.386 6.634 -2.334 172 HG SER 20 HG SER 20 0.544 5.852 -2.049 173 H CYS 21 HN CYS 21 -3.766 3.414 -4.142 174 HA CYS 21 HA CYS 21 -1.802 2.156 -5.943 175 HB2 CYS 21 HB2 CYS 21 -4.271 0.764 -4.851 176 HB3 CYS 21 HB1 CYS 21 -3.129 0.093 -6.002 177 H ILE 22 HN ILE 22 -2.203 2.623 -7.996 178 HA ILE 22 HA ILE 22 -4.907 3.100 -8.978 179 HB ILE 22 HB ILE 22 -4.057 5.417 -9.879 180 HG12 ILE 22 HG12 ILE 22 -2.667 6.609 -8.251 181 HG13 ILE 22 HG11 ILE 22 -2.491 5.132 -7.303 182 HG21 ILE 22 HG21 ILE 22 -4.804 5.317 -6.953 183 HG22 ILE 22 HG22 ILE 22 -5.245 6.529 -8.152 184 HG23 ILE 22 HG23 ILE 22 -5.981 4.933 -8.217 185 HD11 ILE 22 HD11 ILE 22 -0.618 5.778 -9.004 186 HD12 ILE 22 HD12 ILE 22 -1.161 4.099 -8.932 187 HD13 ILE 22 HD13 ILE 22 -1.752 5.167 -10.208 188 H ARG 23 HN ARG 23 -4.871 3.727 -11.347 189 HA ARG 23 HA ARG 23 -2.888 2.081 -12.695 190 HB2 ARG 23 HB2 ARG 23 -5.340 3.560 -13.674 191 HB3 ARG 23 HB1 ARG 23 -4.267 2.654 -14.741 192 HG2 ARG 23 HG2 ARG 23 -4.641 0.641 -13.257 193 HG3 ARG 23 HG1 ARG 23 -5.883 1.575 -12.423 194 HD2 ARG 23 HD2 ARG 23 -5.878 1.060 -15.401 195 HD3 ARG 23 HD1 ARG 23 -6.792 0.105 -14.236 196 HE ARG 23 HE ARG 23 -7.362 2.839 -15.072 197 HH11 ARG 23 HH11 ARG 23 -7.883 0.267 -12.811 198 HH12 ARG 23 HH12 ARG 23 -9.408 0.878 -12.262 199 HH21 ARG 23 HH21 ARG 23 -9.364 3.634 -14.364 200 HH22 ARG 23 HH22 ARG 23 -10.246 2.783 -13.140 201 H LEU 24 HN LEU 24 -2.917 5.157 -11.647 202 HA LEU 24 HA LEU 24 -1.631 6.350 -14.001 203 HB2 LEU 24 HB2 LEU 24 -2.244 7.572 -11.302 204 HB3 LEU 24 HB1 LEU 24 -1.685 8.439 -12.732 205 HG LEU 24 HG LEU 24 -4.281 6.878 -12.531 206 HD11 LEU 24 HD11 LEU 24 -4.661 8.825 -11.286 207 HD12 LEU 24 HD12 LEU 24 -3.568 9.788 -12.277 208 HD13 LEU 24 HD13 LEU 24 -5.147 9.322 -12.907 209 HD21 LEU 24 HD21 LEU 24 -3.811 6.801 -14.802 210 HD22 LEU 24 HD22 LEU 24 -4.601 8.375 -14.712 211 HD23 LEU 24 HD23 LEU 24 -2.841 8.274 -14.759 212 H SER 25 HN SER 25 0.418 7.558 -13.718 213 HA SER 25 HA SER 25 2.459 5.879 -12.738 214 HB2 SER 25 HB2 SER 25 2.493 8.815 -13.458 215 HB3 SER 25 HB1 SER 25 3.938 7.874 -13.097 216 HG SER 25 HG SER 25 2.155 7.699 -15.261 217 H ARG 26 HN ARG 26 1.017 8.837 -11.386 218 HA ARG 26 HA ARG 26 1.372 8.044 -8.695 219 HB2 ARG 26 HB2 ARG 26 3.123 9.647 -8.019 220 HB3 ARG 26 HB1 ARG 26 3.755 8.450 -9.147 221 HG2 ARG 26 HG2 ARG 26 3.295 10.101 -11.008 222 HG3 ARG 26 HG1 ARG 26 2.946 11.299 -9.761 223 HD2 ARG 26 HD2 ARG 26 5.548 9.773 -10.053 224 HD3 ARG 26 HD1 ARG 26 5.295 11.453 -10.514 225 HE ARG 26 HE ARG 26 5.557 10.412 -7.803 226 HH11 ARG 26 HH11 ARG 26 4.627 13.011 -9.894 227 HH12 ARG 26 HH12 ARG 26 4.770 14.228 -8.670 228 HH21 ARG 26 HH21 ARG 26 5.746 12.001 -6.197 229 HH22 ARG 26 HH22 ARG 26 5.403 13.655 -6.577 230 H SER 27 HN SER 27 1.672 10.559 -7.497 231 HA SER 27 HA SER 27 0.654 12.607 -7.141 232 HB2 SER 27 HB2 SER 27 0.499 12.538 -9.807 233 HB3 SER 27 HB1 SER 27 -1.210 12.321 -9.448 234 HG SER 27 HG SER 27 0.501 14.471 -8.887 235 H THR 28 HN THR 28 -0.260 9.933 -6.267 236 HA THR 28 HA THR 28 -3.117 9.915 -6.231 237 HB THR 28 HB THR 28 -1.135 8.524 -4.416 238 HG1 THR 28 HG1 THR 28 -0.939 7.986 -6.616 239 HG21 THR 28 HG21 THR 28 -4.075 8.604 -4.552 240 HG22 THR 28 HG22 THR 28 -3.404 6.976 -4.570 241 HG23 THR 28 HG23 THR 28 -3.024 8.071 -3.241 242 H TYR 29 HN TYR 29 -0.644 10.865 -3.847 243 HA TYR 29 HA TYR 29 -2.438 11.586 -1.788 244 HB2 TYR 29 HB2 TYR 29 -0.079 11.204 -1.328 245 HB3 TYR 29 HB1 TYR 29 0.368 12.569 -2.351 246 HD1 TYR 29 HD1 TYR 29 -1.511 11.645 0.750 247 HD2 TYR 29 HD2 TYR 29 0.347 14.784 -1.523 248 HE1 TYR 29 HE1 TYR 29 -1.799 13.199 2.658 249 HE2 TYR 29 HE2 TYR 29 0.060 16.336 0.388 250 HH TYR 29 HH TYR 29 -0.496 15.421 3.431 251 H ALA 30 HN ALA 30 -3.622 13.340 -1.429 252 HA ALA 30 HA ALA 30 -4.777 15.263 -1.952 253 HB1 ALA 30 HB1 ALA 30 -2.546 16.005 -0.897 254 HB2 ALA 30 HB2 ALA 30 -2.067 16.441 -2.537 255 HB3 ALA 30 HB3 ALA 30 -3.466 17.216 -1.792 256 H SER 31 HN SER 31 -4.336 13.427 -4.190 257 HA SER 31 HA SER 31 -4.478 13.366 -6.488 258 HB2 SER 31 HB2 SER 31 -6.570 14.572 -5.942 259 HB3 SER 31 HB1 SER 31 -5.703 16.100 -6.053 260 HG SER 31 HG SER 31 -5.541 15.870 -8.183 261 H LEU 41 HN LEU 41 12.609 -1.354 1.507 262 HA LEU 41 HA LEU 41 11.413 -0.402 3.975 263 HB2 LEU 41 HB2 LEU 41 12.867 1.190 1.850 264 HB3 LEU 41 HB1 LEU 41 12.574 1.665 3.524 265 HG LEU 41 HG LEU 41 14.248 -0.702 2.629 266 HD11 LEU 41 HD11 LEU 41 15.951 0.763 2.503 267 HD12 LEU 41 HD12 LEU 41 14.854 2.085 2.904 268 HD13 LEU 41 HD13 LEU 41 15.683 1.207 4.189 269 HD21 LEU 41 HD21 LEU 41 13.295 0.302 5.293 270 HD22 LEU 41 HD22 LEU 41 13.451 -1.357 4.716 271 HD23 LEU 41 HD23 LEU 41 14.887 -0.448 5.185 272 H ARG 42 HN ARG 42 10.525 -0.617 0.697 273 HA ARG 42 HA ARG 42 8.261 1.230 1.159 274 HB2 ARG 42 HB2 ARG 42 9.833 0.842 -1.400 275 HB3 ARG 42 HB1 ARG 42 8.356 1.796 -1.256 276 HG2 ARG 42 HG2 ARG 42 9.419 3.297 0.336 277 HG3 ARG 42 HG1 ARG 42 10.872 2.299 0.360 278 HD2 ARG 42 HD2 ARG 42 11.283 4.179 -1.105 279 HD3 ARG 42 HD1 ARG 42 11.133 2.735 -2.100 280 HE ARG 42 HE ARG 42 8.597 3.957 -1.864 281 HH11 ARG 42 HH11 ARG 42 11.728 4.445 -3.254 282 HH12 ARG 42 HH12 ARG 42 11.143 5.382 -4.587 283 HH21 ARG 42 HH21 ARG 42 7.820 5.175 -3.616 284 HH22 ARG 42 HH22 ARG 42 8.930 5.794 -4.793 285 H VAL 43 HN VAL 43 6.279 0.534 0.481 286 HA VAL 43 HA VAL 43 6.145 -2.265 -0.449 287 HB VAL 43 HB VAL 43 3.964 -0.641 0.876 288 HG11 VAL 43 HG11 VAL 43 3.945 -3.076 -0.527 289 HG12 VAL 43 HG12 VAL 43 3.890 -3.519 1.178 290 HG13 VAL 43 HG13 VAL 43 2.668 -2.439 0.506 291 HG21 VAL 43 HG21 VAL 43 5.965 -0.956 2.354 292 HG22 VAL 43 HG22 VAL 43 4.532 -1.792 2.945 293 HG23 VAL 43 HG23 VAL 43 5.808 -2.697 2.130 294 H ARG 44 HN ARG 44 6.689 -0.316 -2.370 295 HA ARG 44 HA ARG 44 4.105 0.144 -3.723 296 HB2 ARG 44 HB2 ARG 44 5.311 1.725 -5.123 297 HB3 ARG 44 HB1 ARG 44 5.611 2.090 -3.424 298 HG2 ARG 44 HG2 ARG 44 7.687 0.519 -3.729 299 HG3 ARG 44 HG1 ARG 44 7.446 0.836 -5.447 300 HD2 ARG 44 HD2 ARG 44 7.702 3.025 -3.373 301 HD3 ARG 44 HD1 ARG 44 9.045 2.418 -4.331 302 HE ARG 44 HE ARG 44 8.060 3.359 -6.271 303 HH11 ARG 44 HH11 ARG 44 6.180 3.881 -3.387 304 HH12 ARG 44 HH12 ARG 44 5.238 5.154 -4.086 305 HH21 ARG 44 HH21 ARG 44 6.827 5.018 -7.160 306 HH22 ARG 44 HH22 ARG 44 5.601 5.793 -6.213 307 H ARG 45 HN ARG 45 3.525 -1.327 -5.152 308 HA ARG 45 HA ARG 45 5.424 -2.367 -7.097 309 HB2 ARG 45 HB2 ARG 45 3.888 -4.265 -5.307 310 HB3 ARG 45 HB1 ARG 45 4.959 -4.703 -6.638 311 HG2 ARG 45 HG2 ARG 45 6.838 -3.563 -5.412 312 HG3 ARG 45 HG1 ARG 45 5.748 -3.357 -4.041 313 HD2 ARG 45 HD2 ARG 45 7.034 -5.336 -3.637 314 HD3 ARG 45 HD1 ARG 45 5.399 -5.843 -4.044 315 HE ARG 45 HE ARG 45 6.999 -5.748 -6.388 316 HH11 ARG 45 HH11 ARG 45 6.496 -7.496 -3.454 317 HH12 ARG 45 HH12 ARG 45 7.040 -9.009 -4.095 318 HH21 ARG 45 HH21 ARG 45 7.713 -7.721 -7.249 319 HH22 ARG 45 HH22 ARG 45 7.732 -9.137 -6.253 320 H THR 46 HN THR 46 3.258 -4.617 -7.250 321 HA THR 46 HA THR 46 1.075 -3.052 -8.427 322 HB THR 46 HB THR 46 1.153 -4.419 -10.480 323 HG1 THR 46 HG1 THR 46 3.234 -5.576 -9.061 324 HG21 THR 46 HG21 THR 46 2.842 -3.148 -11.518 325 HG22 THR 46 HG22 THR 46 2.399 -2.178 -10.113 326 HG23 THR 46 HG23 THR 46 3.859 -3.164 -10.077 327 H LEU 47 HN LEU 47 1.931 -6.433 -8.754 328 HA LEU 47 HA LEU 47 0.215 -8.138 -8.665 329 HB2 LEU 47 HB2 LEU 47 0.614 -8.986 -6.244 330 HB3 LEU 47 HB1 LEU 47 1.957 -8.929 -7.385 331 HG LEU 47 HG LEU 47 1.508 -6.416 -5.881 332 HD11 LEU 47 HD11 LEU 47 2.095 -9.000 -4.517 333 HD12 LEU 47 HD12 LEU 47 2.892 -7.531 -3.967 334 HD13 LEU 47 HD13 LEU 47 1.137 -7.615 -3.995 335 HD21 LEU 47 HD21 LEU 47 3.928 -8.169 -6.438 336 HD22 LEU 47 HD22 LEU 47 3.430 -6.769 -7.391 337 HD23 LEU 47 HD23 LEU 47 3.970 -6.563 -5.730 338 H GLN 48 HN GLN 48 -0.187 -7.489 -5.298 339 HA GLN 48 HA GLN 48 -2.981 -6.663 -5.752 340 HB2 GLN 48 HB2 GLN 48 -2.161 -9.106 -4.655 341 HB3 GLN 48 HB1 GLN 48 -2.619 -8.108 -3.275 342 HG2 GLN 48 HG2 GLN 48 -4.785 -7.608 -4.360 343 HG3 GLN 48 HG1 GLN 48 -4.337 -8.643 -5.718 344 HE21 GLN 48 HE21 GLN 48 -3.023 -9.912 -2.861 345 HE22 GLN 48 HE22 GLN 48 -4.229 -11.058 -2.522 346 H CYS 49 HN CYS 49 -3.770 -5.207 -4.388 347 HA CYS 49 HA CYS 49 -1.817 -3.897 -2.635 348 HB2 CYS 49 HB2 CYS 49 -2.347 -2.640 -4.576 349 HB3 CYS 49 HB1 CYS 49 -4.075 -2.862 -4.282 350 H SER 50 HN SER 50 -2.253 -3.569 -0.597 351 HA SER 50 HA SER 50 -5.030 -3.574 0.267 352 HB2 SER 50 HB2 SER 50 -4.109 -5.916 0.468 353 HB3 SER 50 HB1 SER 50 -2.969 -5.279 1.646 354 HG SER 50 HG SER 50 -5.697 -4.719 1.923 355 H CYS 51 HN CYS 51 -5.247 -2.861 2.516 356 HA CYS 51 HA CYS 51 -3.019 -1.123 3.410 357 HB2 CYS 51 HB2 CYS 51 -5.232 -0.079 2.283 358 HB3 CYS 51 HB1 CYS 51 -5.790 -0.245 3.948 359 H ARG 52 HN ARG 52 -3.137 -0.509 5.656 360 HA ARG 52 HA ARG 52 -4.773 -2.123 7.454 361 HB2 ARG 52 HB2 ARG 52 -2.526 -2.761 8.658 362 HB3 ARG 52 HB1 ARG 52 -3.153 -3.754 7.340 363 HG2 ARG 52 HG2 ARG 52 -1.653 -2.875 5.789 364 HG3 ARG 52 HG1 ARG 52 -1.345 -1.444 6.757 365 HD2 ARG 52 HD2 ARG 52 -0.526 -4.235 7.588 366 HD3 ARG 52 HD1 ARG 52 0.546 -3.122 6.743 367 HE ARG 52 HE ARG 52 -0.494 -1.809 9.009 368 HH11 ARG 52 HH11 ARG 52 1.591 -4.432 8.131 369 HH12 ARG 52 HH12 ARG 52 2.575 -4.304 9.551 370 HH21 ARG 52 HH21 ARG 52 0.789 -1.646 10.877 371 HH22 ARG 52 HH22 ARG 52 2.122 -2.729 11.103 372 H ARG 53 HN ARG 53 -4.384 -1.572 9.718 373 HA ARG 53 HA ARG 53 -3.740 1.299 9.982 374 HB2 ARG 53 HB2 ARG 53 -6.003 0.624 10.653 375 HB3 ARG 53 HB1 ARG 53 -5.314 -0.489 11.828 376 HG2 ARG 53 HG2 ARG 53 -4.358 1.305 13.097 377 HG3 ARG 53 HG1 ARG 53 -4.746 2.478 11.838 378 HD2 ARG 53 HD2 ARG 53 -7.128 2.133 12.223 379 HD3 ARG 53 HD1 ARG 53 -6.779 0.876 13.403 380 HE ARG 53 HE ARG 53 -5.460 3.166 14.276 381 HH11 ARG 53 HH11 ARG 53 -8.691 2.119 13.597 382 HH12 ARG 53 HH12 ARG 53 -9.421 3.162 14.771 383 HH21 ARG 53 HH21 ARG 53 -6.413 4.534 15.813 384 HH22 ARG 53 HH22 ARG 53 -8.132 4.530 16.025 385 H VAL 54 HN VAL 54 -2.700 2.048 11.886 386 HA VAL 54 HA VAL 54 -1.362 0.409 13.734 387 HB VAL 54 HB VAL 54 -0.059 -0.256 11.801 388 HG11 VAL 54 HG11 VAL 54 0.038 2.720 11.349 389 HG12 VAL 54 HG12 VAL 54 1.424 1.741 10.881 390 HG13 VAL 54 HG13 VAL 54 -0.162 1.389 10.210 391 HG21 VAL 54 HG21 VAL 54 1.919 -0.186 12.935 392 HG22 VAL 54 HG22 VAL 54 1.875 1.572 13.082 393 HG23 VAL 54 HG23 VAL 54 0.942 0.571 14.194 394 H CYS 55 HN CYS 55 -1.910 3.372 12.248 395 HA CYS 55 HA CYS 55 -1.788 4.967 14.489 396 HB2 CYS 55 HB2 CYS 55 0.438 5.015 14.963 397 HB3 CYS 55 HB1 CYS 55 0.872 4.354 13.391 398 H ARG 56 HN ARG 56 -1.585 4.514 11.143 399 HA ARG 56 HA ARG 56 -3.103 6.828 10.517 400 HB2 ARG 56 HB2 ARG 56 -0.417 7.370 11.020 401 HB3 ARG 56 HB1 ARG 56 -0.492 7.189 9.271 402 HG2 ARG 56 HG2 ARG 56 -0.963 9.501 9.626 403 HG3 ARG 56 HG1 ARG 56 -2.551 8.772 9.392 404 HD2 ARG 56 HD2 ARG 56 -2.947 8.729 11.790 405 HD3 ARG 56 HD1 ARG 56 -1.295 9.244 12.118 406 HE ARG 56 HE ARG 56 -3.517 10.925 11.261 407 HH11 ARG 56 HH11 ARG 56 -0.095 10.544 11.577 408 HH12 ARG 56 HH12 ARG 56 0.238 12.243 11.573 409 HH21 ARG 56 HH21 ARG 56 -3.087 13.173 11.278 410 HH22 ARG 56 HH22 ARG 56 -1.452 13.730 11.404 411 H ASN 57 HN ASN 57 -3.226 4.147 9.834 412 HA ASN 57 HA ASN 57 -3.551 2.784 8.039 413 HB2 ASN 57 HB2 ASN 57 -4.513 5.079 7.232 414 HB3 ASN 57 HB1 ASN 57 -3.088 5.100 6.210 415 HD21 ASN 57 HD21 ASN 57 -4.342 4.780 4.267 416 HD22 ASN 57 HD22 ASN 57 -5.083 3.296 3.909 417 H THR 58 HN THR 58 -2.184 1.467 7.158 418 HA THR 58 HA THR 58 0.512 2.326 6.416 419 HB THR 58 HB THR 58 0.737 -0.388 6.848 420 HG1 THR 58 HG1 THR 58 -1.445 -0.025 7.878 421 HG21 THR 58 HG21 THR 58 2.427 1.098 7.565 422 HG22 THR 58 HG22 THR 58 1.304 1.997 8.580 423 HG23 THR 58 HG23 THR 58 1.801 0.372 9.046 424 H CYS 59 HN CYS 59 1.579 0.899 4.842 425 HA CYS 59 HA CYS 59 -0.326 0.125 2.726 426 HB2 CYS 59 HB2 CYS 59 1.482 2.010 2.539 427 HB3 CYS 59 HB1 CYS 59 2.577 0.659 2.277 428 H SER 60 HN SER 60 -0.438 -1.862 2.047 429 HA SER 60 HA SER 60 1.863 -3.648 2.308 430 HB2 SER 60 HB2 SER 60 0.442 -5.404 3.318 431 HB3 SER 60 HB1 SER 60 0.583 -3.990 4.361 432 HG SER 60 HG SER 60 -1.423 -3.279 3.324 433 H CYS 61 HN CYS 61 2.165 -4.303 0.282 434 HA CYS 61 HA CYS 61 -0.195 -5.121 -1.309 435 HB2 CYS 61 HB2 CYS 61 2.394 -3.887 -2.295 436 HB3 CYS 61 HB1 CYS 61 1.188 -4.612 -3.349 437 H ILE 62 HN ILE 62 -0.211 -7.190 -1.887 438 HA ILE 62 HA ILE 62 2.237 -8.775 -2.102 439 HB ILE 62 HB ILE 62 1.068 -10.479 -0.429 440 HG12 ILE 62 HG12 ILE 62 0.160 -9.312 1.515 441 HG13 ILE 62 HG11 ILE 62 0.317 -7.769 0.684 442 HG21 ILE 62 HG21 ILE 62 2.685 -8.161 0.649 443 HG22 ILE 62 HG22 ILE 62 2.629 -9.809 1.261 444 HG23 ILE 62 HG23 ILE 62 3.399 -9.479 -0.285 445 HD11 ILE 62 HD11 ILE 62 -1.991 -8.999 0.669 446 HD12 ILE 62 HD12 ILE 62 -1.404 -8.262 -0.820 447 HD13 ILE 62 HD13 ILE 62 -1.247 -10.005 -0.575 448 H ARG 63 HN ARG 63 1.895 -10.812 -3.102 449 HA ARG 63 HA ARG 63 -0.591 -10.959 -4.598 450 HB2 ARG 63 HB2 ARG 63 1.507 -11.184 -5.821 451 HB3 ARG 63 HB1 ARG 63 1.968 -12.551 -4.806 452 HG2 ARG 63 HG2 ARG 63 0.124 -13.874 -5.639 453 HG3 ARG 63 HG1 ARG 63 -0.529 -12.487 -6.515 454 HD2 ARG 63 HD2 ARG 63 2.229 -13.611 -7.020 455 HD3 ARG 63 HD1 ARG 63 0.804 -14.118 -7.904 456 HE ARG 63 HE ARG 63 0.907 -11.330 -8.046 457 HH11 ARG 63 HH11 ARG 63 2.750 -14.097 -9.008 458 HH12 ARG 63 HH12 ARG 63 3.423 -13.335 -10.409 459 HH21 ARG 63 HH21 ARG 63 1.784 -10.326 -9.891 460 HH22 ARG 63 HH22 ARG 63 2.877 -11.202 -10.909 461 H LEU 64 HN LEU 64 0.977 -12.484 -1.981 462 HA LEU 64 HA LEU 64 -1.033 -14.660 -1.973 463 HB2 LEU 64 HB2 LEU 64 1.730 -14.536 -0.766 464 HB3 LEU 64 HB1 LEU 64 0.592 -15.851 -0.476 465 HG LEU 64 HG LEU 64 1.561 -14.982 -3.224 466 HD11 LEU 64 HD11 LEU 64 3.439 -15.921 -2.063 467 HD12 LEU 64 HD12 LEU 64 2.450 -17.217 -1.388 468 HD13 LEU 64 HD13 LEU 64 2.810 -17.189 -3.114 469 HD21 LEU 64 HD21 LEU 64 -0.357 -16.130 -3.756 470 HD22 LEU 64 HD22 LEU 64 0.684 -17.531 -3.505 471 HD23 LEU 64 HD23 LEU 64 -0.395 -16.994 -2.219 472 H SER 65 HN SER 65 -2.110 -15.174 -0.076 473 HA SER 65 HA SER 65 -2.560 -12.936 1.695 474 HB2 SER 65 HB2 SER 65 -3.729 -15.726 1.646 475 HB3 SER 65 HB1 SER 65 -4.260 -14.435 2.720 476 HG SER 65 HG SER 65 -4.428 -14.616 -0.094 477 H ARG 66 HN ARG 66 -0.005 -13.469 2.105 478 HA ARG 66 HA ARG 66 0.596 -15.441 4.055 479 HB2 ARG 66 HB2 ARG 66 1.986 -12.849 3.351 480 HB3 ARG 66 HB1 ARG 66 2.648 -14.063 4.446 481 HG2 ARG 66 HG2 ARG 66 2.579 -15.742 2.656 482 HG3 ARG 66 HG1 ARG 66 1.872 -14.557 1.558 483 HD2 ARG 66 HD2 ARG 66 4.270 -14.704 1.140 484 HD3 ARG 66 HD1 ARG 66 3.895 -13.133 1.843 485 HE ARG 66 HE ARG 66 5.092 -13.751 3.749 486 HH11 ARG 66 HH11 ARG 66 4.487 -16.457 1.680 487 HH12 ARG 66 HH12 ARG 66 5.542 -17.528 2.541 488 HH21 ARG 66 HH21 ARG 66 6.478 -15.150 4.885 489 HH22 ARG 66 HH22 ARG 66 6.668 -16.788 4.357 490 H SER 67 HN SER 67 1.030 -15.173 6.289 491 HA SER 67 HA SER 67 -0.954 -13.912 7.757 492 HB2 SER 67 HB2 SER 67 0.425 -15.665 8.721 493 HB3 SER 67 HB1 SER 67 1.861 -14.653 8.593 494 HG SER 67 HG SER 67 -0.084 -14.693 10.486 495 H THR 68 HN THR 68 -1.401 -11.851 7.896 496 HA THR 68 HA THR 68 0.809 -9.893 7.953 497 HB THR 68 HB THR 68 -0.391 -9.379 6.006 498 HG1 THR 68 HG1 THR 68 -0.297 -7.672 7.690 499 HG21 THR 68 HG21 THR 68 -2.662 -10.478 7.557 500 HG22 THR 68 HG22 THR 68 -3.061 -9.161 6.456 501 HG23 THR 68 HG23 THR 68 -2.296 -10.626 5.838 502 H TYR 69 HN TYR 69 1.114 -9.643 10.090 503 HA TYR 69 HA TYR 69 -0.797 -9.738 12.125 504 HB2 TYR 69 HB2 TYR 69 0.844 -8.778 13.548 505 HB3 TYR 69 HB1 TYR 69 1.753 -9.694 12.346 506 HD1 TYR 69 HD1 TYR 69 0.907 -6.351 13.598 507 HD2 TYR 69 HD2 TYR 69 2.921 -8.536 10.495 508 HE1 TYR 69 HE1 TYR 69 2.100 -4.288 12.920 509 HE2 TYR 69 HE2 TYR 69 4.114 -6.471 9.816 510 HH TYR 69 HH TYR 69 4.791 -4.265 11.008 511 H ALA 70 HN ALA 70 0.086 -7.153 9.949 512 HA ALA 70 HA ALA 70 -0.604 -4.945 9.815 513 HB1 ALA 70 HB1 ALA 70 -2.465 -6.119 8.791 514 HB2 ALA 70 HB2 ALA 70 -3.189 -6.415 10.371 515 HB3 ALA 70 HB3 ALA 70 -3.086 -4.770 9.742 516 H SER 71 HN SER 71 -3.361 -4.742 11.535 517 HA SER 71 HA SER 71 -2.413 -2.917 13.423 518 HB2 SER 71 HB2 SER 71 -4.613 -2.634 13.748 519 HB3 SER 71 HB1 SER 71 -4.909 -4.001 12.678 520 HG SER 71 HG SER 71 -4.754 -3.894 15.480 Start of MODEL 18 1 H LEU 1 HN LEU 1 -10.171 -2.854 4.723 2 HA LEU 1 HA LEU 1 -10.924 -1.906 2.760 3 HB2 LEU 1 HB2 LEU 1 -11.584 -0.093 4.303 4 HB3 LEU 1 HB1 LEU 1 -9.993 0.642 4.116 5 HG LEU 1 HG LEU 1 -10.413 0.917 1.683 6 HD11 LEU 1 HD11 LEU 1 -12.889 -0.587 2.427 7 HD12 LEU 1 HD12 LEU 1 -13.019 0.652 1.179 8 HD13 LEU 1 HD13 LEU 1 -11.904 -0.698 0.968 9 HD21 LEU 1 HD21 LEU 1 -12.654 2.386 2.169 10 HD22 LEU 1 HD22 LEU 1 -12.060 2.145 3.812 11 HD23 LEU 1 HD23 LEU 1 -11.027 2.909 2.604 12 H ARG 2 HN ARG 2 -9.667 -2.581 1.103 13 HA ARG 2 HA ARG 2 -6.930 -1.800 0.789 14 HB2 ARG 2 HB2 ARG 2 -8.887 -3.167 -1.067 15 HB3 ARG 2 HB1 ARG 2 -7.191 -2.893 -1.468 16 HG2 ARG 2 HG2 ARG 2 -6.501 -4.169 0.522 17 HG3 ARG 2 HG1 ARG 2 -8.192 -4.432 0.947 18 HD2 ARG 2 HD2 ARG 2 -8.544 -5.640 -1.170 19 HD3 ARG 2 HD1 ARG 2 -6.860 -5.369 -1.610 20 HE ARG 2 HE ARG 2 -6.927 -6.638 0.904 21 HH11 ARG 2 HH11 ARG 2 -7.704 -7.204 -2.419 22 HH12 ARG 2 HH12 ARG 2 -7.409 -8.909 -2.342 23 HH21 ARG 2 HH21 ARG 2 -6.531 -8.872 1.012 24 HH22 ARG 2 HH22 ARG 2 -6.744 -9.854 -0.399 25 H VAL 3 HN VAL 3 -6.053 -0.186 -0.422 26 HA VAL 3 HA VAL 3 -7.720 2.003 -1.173 27 HB VAL 3 HB VAL 3 -5.192 1.913 -0.407 28 HG11 VAL 3 HG11 VAL 3 -4.680 0.580 -2.554 29 HG12 VAL 3 HG12 VAL 3 -4.835 2.125 -3.389 30 HG13 VAL 3 HG13 VAL 3 -3.601 1.916 -2.148 31 HG21 VAL 3 HG21 VAL 3 -6.503 3.976 -0.759 32 HG22 VAL 3 HG22 VAL 3 -4.867 4.157 -1.383 33 HG23 VAL 3 HG23 VAL 3 -6.207 3.869 -2.494 34 H ARG 4 HN ARG 4 -6.649 -0.814 -2.754 35 HA ARG 4 HA ARG 4 -8.237 -0.477 -5.023 36 HB2 ARG 4 HB2 ARG 4 -5.759 0.960 -5.189 37 HB3 ARG 4 HB1 ARG 4 -5.739 -0.336 -6.377 38 HG2 ARG 4 HG2 ARG 4 -8.070 1.569 -6.053 39 HG3 ARG 4 HG1 ARG 4 -6.732 1.870 -7.158 40 HD2 ARG 4 HD2 ARG 4 -7.305 0.113 -8.561 41 HD3 ARG 4 HD1 ARG 4 -8.129 -0.781 -7.292 42 HE ARG 4 HE ARG 4 -10.061 0.469 -7.707 43 HH11 ARG 4 HH11 ARG 4 -7.312 1.705 -9.412 44 HH12 ARG 4 HH12 ARG 4 -8.241 2.770 -10.412 45 HH21 ARG 4 HH21 ARG 4 -11.280 1.869 -9.010 46 HH22 ARG 4 HH22 ARG 4 -10.486 2.863 -10.185 47 H ARG 5 HN ARG 5 -6.787 -1.857 -6.964 48 HA ARG 5 HA ARG 5 -6.657 -4.497 -5.713 49 HB2 ARG 5 HB2 ARG 5 -6.983 -3.640 -8.577 50 HB3 ARG 5 HB1 ARG 5 -6.778 -5.317 -8.082 51 HG2 ARG 5 HG2 ARG 5 -8.785 -5.249 -6.759 52 HG3 ARG 5 HG1 ARG 5 -8.932 -3.503 -6.970 53 HD2 ARG 5 HD2 ARG 5 -9.019 -5.499 -9.246 54 HD3 ARG 5 HD1 ARG 5 -10.451 -4.830 -8.470 55 HE ARG 5 HE ARG 5 -8.882 -2.660 -9.234 56 HH11 ARG 5 HH11 ARG 5 -10.481 -5.355 -10.700 57 HH12 ARG 5 HH12 ARG 5 -10.797 -4.533 -12.191 58 HH21 ARG 5 HH21 ARG 5 -9.302 -1.571 -11.180 59 HH22 ARG 5 HH22 ARG 5 -10.129 -2.390 -12.463 60 H THR 6 HN THR 6 -5.180 -4.600 -8.639 61 HA THR 6 HA THR 6 -2.533 -4.960 -7.400 62 HB THR 6 HB THR 6 -2.013 -6.117 -9.570 63 HG1 THR 6 HG1 THR 6 -4.600 -6.471 -10.227 64 HG21 THR 6 HG21 THR 6 -4.401 -7.587 -8.763 65 HG22 THR 6 HG22 THR 6 -2.706 -8.043 -8.601 66 HG23 THR 6 HG23 THR 6 -3.473 -7.041 -7.369 67 H LEU 7 HN LEU 7 -3.728 -3.871 -10.535 68 HA LEU 7 HA LEU 7 -2.493 -2.566 -12.094 69 HB2 LEU 7 HB2 LEU 7 -3.041 -0.154 -11.271 70 HB3 LEU 7 HB1 LEU 7 -4.333 -1.281 -11.680 71 HG LEU 7 HG LEU 7 -3.407 -1.392 -8.863 72 HD11 LEU 7 HD11 LEU 7 -4.587 1.044 -10.068 73 HD12 LEU 7 HD12 LEU 7 -5.009 0.581 -8.423 74 HD13 LEU 7 HD13 LEU 7 -3.332 0.857 -8.846 75 HD21 LEU 7 HD21 LEU 7 -5.785 -1.670 -8.478 76 HD22 LEU 7 HD22 LEU 7 -6.145 -1.182 -10.134 77 HD23 LEU 7 HD23 LEU 7 -5.306 -2.702 -9.829 78 H GLN 8 HN GLN 8 -1.906 -0.283 -9.501 79 HA GLN 8 HA GLN 8 0.966 -0.856 -9.586 80 HB2 GLN 8 HB2 GLN 8 -0.044 1.171 -11.157 81 HB3 GLN 8 HB1 GLN 8 0.348 2.012 -9.656 82 HG2 GLN 8 HG2 GLN 8 2.615 1.048 -9.707 83 HG3 GLN 8 HG1 GLN 8 2.232 0.246 -11.228 84 HE21 GLN 8 HE21 GLN 8 4.356 2.168 -11.045 85 HE22 GLN 8 HE22 GLN 8 3.915 3.529 -11.959 86 H CYS 9 HN CYS 9 1.928 -0.540 -7.705 87 HA CYS 9 HA CYS 9 0.326 0.640 -5.560 88 HB2 CYS 9 HB2 CYS 9 0.348 -1.600 -5.059 89 HB3 CYS 9 HB1 CYS 9 1.991 -1.826 -5.652 90 H SER 10 HN SER 10 1.065 2.240 -4.488 91 HA SER 10 HA SER 10 3.961 2.665 -4.289 92 HB2 SER 10 HB2 SER 10 3.714 5.025 -4.877 93 HB3 SER 10 HB1 SER 10 3.133 4.019 -6.202 94 HG SER 10 HG SER 10 1.011 4.319 -5.348 95 H CYS 11 HN CYS 11 4.562 3.942 -2.473 96 HA CYS 11 HA CYS 11 2.414 4.534 -0.538 97 HB2 CYS 11 HB2 CYS 11 5.021 3.353 0.358 98 HB3 CYS 11 HB1 CYS 11 3.465 3.368 1.183 99 H ARG 12 HN ARG 12 3.091 6.120 1.114 100 HA ARG 12 HA ARG 12 5.606 7.581 0.528 101 HB2 ARG 12 HB2 ARG 12 4.490 9.730 0.322 102 HB3 ARG 12 HB1 ARG 12 3.826 8.631 -0.890 103 HG2 ARG 12 HG2 ARG 12 2.023 8.065 0.852 104 HG3 ARG 12 HG1 ARG 12 2.588 9.487 1.731 105 HD2 ARG 12 HD2 ARG 12 0.734 10.134 0.294 106 HD3 ARG 12 HD1 ARG 12 2.218 10.854 -0.327 107 HE ARG 12 HE ARG 12 1.584 8.286 -1.503 108 HH11 ARG 12 HH11 ARG 12 1.110 11.712 -1.590 109 HH12 ARG 12 HH12 ARG 12 0.700 11.750 -3.273 110 HH21 ARG 12 HH21 ARG 12 1.050 8.328 -3.707 111 HH22 ARG 12 HH22 ARG 12 0.666 9.833 -4.472 112 H ARG 13 HN ARG 13 6.476 8.565 2.316 113 HA ARG 13 HA ARG 13 5.820 7.745 4.870 114 HB2 ARG 13 HB2 ARG 13 7.961 8.756 4.288 115 HB3 ARG 13 HB1 ARG 13 7.159 10.317 4.164 116 HG2 ARG 13 HG2 ARG 13 6.822 10.494 6.447 117 HG3 ARG 13 HG1 ARG 13 6.768 8.749 6.680 118 HD2 ARG 13 HD2 ARG 13 9.153 8.573 6.359 119 HD3 ARG 13 HD1 ARG 13 9.272 10.287 5.966 120 HE ARG 13 HE ARG 13 9.109 10.770 8.245 121 HH11 ARG 13 HH11 ARG 13 8.333 7.464 7.582 122 HH12 ARG 13 HH12 ARG 13 8.325 6.988 9.248 123 HH21 ARG 13 HH21 ARG 13 9.114 10.152 10.431 124 HH22 ARG 13 HH22 ARG 13 8.767 8.510 10.862 125 H VAL 14 HN VAL 14 4.899 8.725 6.621 126 HA VAL 14 HA VAL 14 3.610 11.149 6.895 127 HB VAL 14 HB VAL 14 2.196 10.583 5.046 128 HG11 VAL 14 HG11 VAL 14 2.053 7.932 6.431 129 HG12 VAL 14 HG12 VAL 14 0.679 8.473 5.466 130 HG13 VAL 14 HG13 VAL 14 2.258 8.312 4.722 131 HG21 VAL 14 HG21 VAL 14 1.243 11.303 7.497 132 HG22 VAL 14 HG22 VAL 14 0.264 11.235 6.031 133 HG23 VAL 14 HG23 VAL 14 0.272 9.873 7.151 134 H CYS 15 HN CYS 15 4.809 10.101 8.861 135 HA CYS 15 HA CYS 15 4.561 9.477 11.060 136 HB2 CYS 15 HB2 CYS 15 2.598 10.034 11.994 137 HB3 CYS 15 HB1 CYS 15 1.905 10.218 10.389 138 H ARG 16 HN ARG 16 3.578 7.602 8.463 139 HA ARG 16 HA ARG 16 4.699 5.224 9.386 140 HB2 ARG 16 HB2 ARG 16 2.201 5.652 10.564 141 HB3 ARG 16 HB1 ARG 16 1.895 4.545 9.220 142 HG2 ARG 16 HG2 ARG 16 2.468 3.086 11.024 143 HG3 ARG 16 HG1 ARG 16 3.957 3.221 10.105 144 HD2 ARG 16 HD2 ARG 16 4.868 4.813 11.663 145 HD3 ARG 16 HD1 ARG 16 3.320 4.988 12.482 146 HE ARG 16 HE ARG 16 3.916 2.325 12.733 147 HH11 ARG 16 HH11 ARG 16 5.523 5.321 13.418 148 HH12 ARG 16 HH12 ARG 16 6.405 4.689 14.767 149 HH21 ARG 16 HH21 ARG 16 5.064 1.505 14.486 150 HH22 ARG 16 HH22 ARG 16 6.145 2.528 15.371 151 H ASN 17 HN ASN 17 4.100 6.952 7.082 152 HA ASN 17 HA ASN 17 3.970 6.660 4.835 153 HB2 ASN 17 HB2 ASN 17 4.951 4.269 5.761 154 HB3 ASN 17 HB1 ASN 17 3.557 3.809 4.804 155 HD21 ASN 17 HD21 ASN 17 6.774 4.091 4.459 156 HD22 ASN 17 HD22 ASN 17 6.873 4.631 2.853 157 H THR 18 HN THR 18 2.445 6.418 3.238 158 HA THR 18 HA THR 18 -0.268 5.707 4.138 159 HB THR 18 HB THR 18 -0.404 7.197 1.705 160 HG1 THR 18 HG1 THR 18 1.702 7.922 2.917 161 HG21 THR 18 HG21 THR 18 -2.233 7.127 3.227 162 HG22 THR 18 HG22 THR 18 -1.265 7.759 4.552 163 HG23 THR 18 HG23 THR 18 -1.679 8.800 3.196 164 H CYS 19 HN CYS 19 -1.656 4.862 2.469 165 HA CYS 19 HA CYS 19 -0.157 3.126 0.608 166 HB2 CYS 19 HB2 CYS 19 -1.527 2.177 2.525 167 HB3 CYS 19 HB1 CYS 19 -2.950 2.781 1.702 168 H SER 20 HN SER 20 -0.283 3.780 -1.417 169 HA SER 20 HA SER 20 -2.888 4.656 -2.450 170 HB2 SER 20 HB2 SER 20 -0.256 6.045 -2.995 171 HB3 SER 20 HB1 SER 20 -1.772 6.378 -3.828 172 HG SER 20 HG SER 20 -0.916 7.405 -1.566 173 H CYS 21 HN CYS 21 -3.385 3.076 -3.814 174 HA CYS 21 HA CYS 21 -1.327 2.226 -5.746 175 HB2 CYS 21 HB2 CYS 21 -3.582 0.540 -4.634 176 HB3 CYS 21 HB1 CYS 21 -2.463 0.028 -5.882 177 H ILE 22 HN ILE 22 -1.747 2.751 -7.732 178 HA ILE 22 HA ILE 22 -4.481 2.955 -8.717 179 HB ILE 22 HB ILE 22 -3.729 5.325 -9.652 180 HG12 ILE 22 HG12 ILE 22 -2.560 6.593 -7.907 181 HG13 ILE 22 HG11 ILE 22 -2.369 5.126 -6.953 182 HG21 ILE 22 HG21 ILE 22 -4.787 4.997 -6.826 183 HG22 ILE 22 HG22 ILE 22 -5.086 6.342 -7.923 184 HG23 ILE 22 HG23 ILE 22 -5.775 4.761 -8.271 185 HD11 ILE 22 HD11 ILE 22 -0.412 5.927 -8.515 186 HD12 ILE 22 HD12 ILE 22 -0.812 4.210 -8.435 187 HD13 ILE 22 HD13 ILE 22 -1.382 5.189 -9.788 188 H ARG 23 HN ARG 23 -4.633 3.089 -11.000 189 HA ARG 23 HA ARG 23 -2.302 1.990 -12.346 190 HB2 ARG 23 HB2 ARG 23 -3.824 1.659 -14.253 191 HB3 ARG 23 HB1 ARG 23 -4.494 0.978 -12.769 192 HG2 ARG 23 HG2 ARG 23 -5.812 3.064 -12.441 193 HG3 ARG 23 HG1 ARG 23 -5.202 3.664 -13.983 194 HD2 ARG 23 HD2 ARG 23 -7.382 2.668 -14.356 195 HD3 ARG 23 HD1 ARG 23 -6.158 1.638 -15.095 196 HE ARG 23 HE ARG 23 -6.721 0.812 -12.415 197 HH11 ARG 23 HH11 ARG 23 -7.898 0.801 -15.669 198 HH12 ARG 23 HH12 ARG 23 -8.817 -0.655 -15.478 199 HH21 ARG 23 HH21 ARG 23 -7.935 -1.091 -12.154 200 HH22 ARG 23 HH22 ARG 23 -8.839 -1.725 -13.489 201 H LEU 24 HN LEU 24 -4.021 4.925 -12.102 202 HA LEU 24 HA LEU 24 -2.035 6.276 -13.794 203 HB2 LEU 24 HB2 LEU 24 -5.015 6.399 -14.280 204 HB3 LEU 24 HB1 LEU 24 -3.883 7.591 -14.908 205 HG LEU 24 HG LEU 24 -3.660 4.615 -15.449 206 HD11 LEU 24 HD11 LEU 24 -4.956 6.841 -17.017 207 HD12 LEU 24 HD12 LEU 24 -4.436 5.331 -17.767 208 HD13 LEU 24 HD13 LEU 24 -5.669 5.310 -16.507 209 HD21 LEU 24 HD21 LEU 24 -2.018 6.986 -16.071 210 HD22 LEU 24 HD22 LEU 24 -1.579 5.280 -16.081 211 HD23 LEU 24 HD23 LEU 24 -2.397 5.988 -17.472 212 H SER 25 HN SER 25 -3.308 8.768 -13.855 213 HA SER 25 HA SER 25 -3.505 10.696 -12.646 214 HB2 SER 25 HB2 SER 25 -4.623 8.831 -10.539 215 HB3 SER 25 HB1 SER 25 -4.751 10.584 -10.525 216 HG SER 25 HG SER 25 -5.764 8.808 -12.501 217 H ARG 26 HN ARG 26 -1.182 8.783 -12.438 218 HA ARG 26 HA ARG 26 0.735 8.480 -11.133 219 HB2 ARG 26 HB2 ARG 26 0.307 11.471 -10.918 220 HB3 ARG 26 HB1 ARG 26 1.830 10.634 -10.619 221 HG2 ARG 26 HG2 ARG 26 1.809 9.783 -12.945 222 HG3 ARG 26 HG1 ARG 26 0.308 10.662 -13.241 223 HD2 ARG 26 HD2 ARG 26 2.136 12.017 -14.061 224 HD3 ARG 26 HD1 ARG 26 1.501 12.781 -12.608 225 HE ARG 26 HE ARG 26 3.511 12.301 -11.526 226 HH11 ARG 26 HH11 ARG 26 3.242 10.611 -14.534 227 HH12 ARG 26 HH12 ARG 26 4.888 10.070 -14.537 228 HH21 ARG 26 HH21 ARG 26 5.673 11.598 -11.524 229 HH22 ARG 26 HH22 ARG 26 6.264 10.630 -12.833 230 H SER 27 HN SER 27 0.725 11.066 -9.087 231 HA SER 27 HA SER 27 0.319 9.385 -6.776 232 HB2 SER 27 HB2 SER 27 0.876 12.348 -7.031 233 HB3 SER 27 HB1 SER 27 0.836 11.464 -5.509 234 HG SER 27 HG SER 27 2.843 11.708 -7.216 235 H THR 28 HN THR 28 -1.650 8.901 -6.084 236 HA THR 28 HA THR 28 -4.009 10.309 -6.757 237 HB THR 28 HB THR 28 -3.512 8.375 -4.481 238 HG1 THR 28 HG1 THR 28 -3.543 8.065 -7.103 239 HG21 THR 28 HG21 THR 28 -5.986 9.611 -5.667 240 HG22 THR 28 HG22 THR 28 -6.054 8.019 -4.910 241 HG23 THR 28 HG23 THR 28 -5.550 9.422 -3.968 242 H TYR 29 HN TYR 29 -2.011 10.298 -3.816 243 HA TYR 29 HA TYR 29 -3.670 12.391 -2.624 244 HB2 TYR 29 HB2 TYR 29 -2.952 10.595 -1.154 245 HB3 TYR 29 HB1 TYR 29 -1.263 10.892 -1.567 246 HD1 TYR 29 HD1 TYR 29 -4.282 12.681 -0.241 247 HD2 TYR 29 HD2 TYR 29 0.001 12.333 -0.213 248 HE1 TYR 29 HE1 TYR 29 -4.151 14.398 1.543 249 HE2 TYR 29 HE2 TYR 29 0.128 14.053 1.566 250 HH TYR 29 HH TYR 29 -2.523 15.032 3.369 251 H ALA 30 HN ALA 30 -3.182 14.487 -2.654 252 HA ALA 30 HA ALA 30 -0.416 15.353 -3.054 253 HB1 ALA 30 HB1 ALA 30 -0.980 16.815 -4.913 254 HB2 ALA 30 HB2 ALA 30 -1.401 15.154 -5.330 255 HB3 ALA 30 HB3 ALA 30 -2.662 16.291 -4.852 256 H SER 31 HN SER 31 -0.022 17.485 -2.367 257 HA SER 31 HA SER 31 -1.426 18.390 -0.150 258 HB2 SER 31 HB2 SER 31 0.677 19.332 -0.297 259 HB3 SER 31 HB1 SER 31 0.539 19.633 -2.027 260 HG SER 31 HG SER 31 -0.890 21.317 -1.565 261 H LEU 41 HN LEU 41 7.045 -9.398 -0.694 262 HA LEU 41 HA LEU 41 8.024 -9.099 1.772 263 HB2 LEU 41 HB2 LEU 41 9.880 -7.839 -0.078 264 HB3 LEU 41 HB1 LEU 41 9.285 -6.697 1.128 265 HG LEU 41 HG LEU 41 9.888 -8.284 2.926 266 HD11 LEU 41 HD11 LEU 41 10.196 -10.052 0.629 267 HD12 LEU 41 HD12 LEU 41 11.630 -10.063 1.656 268 HD13 LEU 41 HD13 LEU 41 10.052 -10.458 2.339 269 HD21 LEU 41 HD21 LEU 41 11.837 -7.146 1.003 270 HD22 LEU 41 HD22 LEU 41 11.697 -6.898 2.744 271 HD23 LEU 41 HD23 LEU 41 12.488 -8.347 2.119 272 H ARG 42 HN ARG 42 7.583 -6.850 2.809 273 HA ARG 42 HA ARG 42 4.940 -6.080 2.021 274 HB2 ARG 42 HB2 ARG 42 6.850 -5.240 4.171 275 HB3 ARG 42 HB1 ARG 42 5.433 -4.247 3.830 276 HG2 ARG 42 HG2 ARG 42 4.918 -5.886 5.586 277 HG3 ARG 42 HG1 ARG 42 3.980 -6.237 4.135 278 HD2 ARG 42 HD2 ARG 42 5.463 -8.015 3.505 279 HD3 ARG 42 HD1 ARG 42 6.636 -7.554 4.734 280 HE ARG 42 HE ARG 42 4.215 -9.098 5.146 281 HH11 ARG 42 HH11 ARG 42 6.650 -7.062 6.519 282 HH12 ARG 42 HH12 ARG 42 6.444 -7.664 8.130 283 HH21 ARG 42 HH21 ARG 42 3.941 -9.901 7.254 284 HH22 ARG 42 HH22 ARG 42 4.909 -9.273 8.547 285 H VAL 43 HN VAL 43 4.227 -4.207 1.101 286 HA VAL 43 HA VAL 43 4.266 -2.414 -0.312 287 HB VAL 43 HB VAL 43 6.691 -1.811 1.395 288 HG11 VAL 43 HG11 VAL 43 5.550 -0.412 -0.962 289 HG12 VAL 43 HG12 VAL 43 5.885 0.598 0.444 290 HG13 VAL 43 HG13 VAL 43 7.181 -0.340 -0.291 291 HG21 VAL 43 HG21 VAL 43 5.053 -0.130 2.349 292 HG22 VAL 43 HG22 VAL 43 3.794 -0.932 1.413 293 HG23 VAL 43 HG23 VAL 43 4.664 -1.820 2.665 294 H ARG 44 HN ARG 44 4.751 -4.147 -1.970 295 HA ARG 44 HA ARG 44 7.428 -4.133 -3.091 296 HB2 ARG 44 HB2 ARG 44 4.893 -5.458 -4.044 297 HB3 ARG 44 HB1 ARG 44 6.492 -5.687 -4.754 298 HG2 ARG 44 HG2 ARG 44 6.597 -6.052 -1.887 299 HG3 ARG 44 HG1 ARG 44 5.392 -7.116 -2.606 300 HD2 ARG 44 HD2 ARG 44 7.582 -8.216 -2.602 301 HD3 ARG 44 HD1 ARG 44 7.066 -7.894 -4.254 302 HE ARG 44 HE ARG 44 8.590 -5.699 -3.404 303 HH11 ARG 44 HH11 ARG 44 8.922 -9.092 -4.007 304 HH12 ARG 44 HH12 ARG 44 10.590 -8.988 -4.461 305 HH21 ARG 44 HH21 ARG 44 10.776 -5.556 -3.996 306 HH22 ARG 44 HH22 ARG 44 11.640 -6.985 -4.455 307 H ARG 45 HN ARG 45 5.882 -4.437 -5.746 308 HA ARG 45 HA ARG 45 6.042 -1.592 -6.434 309 HB2 ARG 45 HB2 ARG 45 6.311 -4.028 -8.177 310 HB3 ARG 45 HB1 ARG 45 6.454 -2.359 -8.731 311 HG2 ARG 45 HG2 ARG 45 8.331 -2.003 -7.162 312 HG3 ARG 45 HG1 ARG 45 8.202 -3.683 -6.637 313 HD2 ARG 45 HD2 ARG 45 8.635 -4.421 -8.967 314 HD3 ARG 45 HD1 ARG 45 8.822 -2.738 -9.453 315 HE ARG 45 HE ARG 45 10.579 -3.253 -7.310 316 HH11 ARG 45 HH11 ARG 45 10.018 -4.111 -10.611 317 HH12 ARG 45 HH12 ARG 45 11.689 -4.394 -10.968 318 HH21 ARG 45 HH21 ARG 45 12.774 -3.618 -7.766 319 HH22 ARG 45 HH22 ARG 45 13.251 -4.115 -9.355 320 H THR 46 HN THR 46 4.276 -4.406 -7.546 321 HA THR 46 HA THR 46 1.839 -2.762 -7.769 322 HB THR 46 HB THR 46 1.332 -3.886 -9.914 323 HG1 THR 46 HG1 THR 46 3.994 -4.816 -9.697 324 HG21 THR 46 HG21 THR 46 2.367 -2.196 -10.997 325 HG22 THR 46 HG22 THR 46 3.107 -1.789 -9.450 326 HG23 THR 46 HG23 THR 46 3.963 -2.825 -10.590 327 H LEU 47 HN LEU 47 2.528 -6.049 -8.747 328 HA LEU 47 HA LEU 47 1.061 -7.865 -8.485 329 HB2 LEU 47 HB2 LEU 47 1.683 -8.806 -6.177 330 HB3 LEU 47 HB1 LEU 47 2.909 -8.649 -7.436 331 HG LEU 47 HG LEU 47 2.442 -6.345 -5.570 332 HD11 LEU 47 HD11 LEU 47 4.618 -8.022 -4.708 333 HD12 LEU 47 HD12 LEU 47 3.268 -7.395 -3.777 334 HD13 LEU 47 HD13 LEU 47 3.128 -8.911 -4.659 335 HD21 LEU 47 HD21 LEU 47 4.474 -5.621 -6.341 336 HD22 LEU 47 HD22 LEU 47 5.151 -7.245 -6.388 337 HD23 LEU 47 HD23 LEU 47 4.121 -6.685 -7.703 338 H GLN 48 HN GLN 48 0.836 -7.513 -5.059 339 HA GLN 48 HA GLN 48 -2.040 -6.909 -5.328 340 HB2 GLN 48 HB2 GLN 48 -1.024 -9.246 -4.336 341 HB3 GLN 48 HB1 GLN 48 -1.137 -8.270 -2.871 342 HG2 GLN 48 HG2 GLN 48 -3.246 -9.363 -3.092 343 HG3 GLN 48 HG1 GLN 48 -3.502 -7.685 -3.572 344 HE21 GLN 48 HE21 GLN 48 -5.127 -7.921 -5.184 345 HE22 GLN 48 HE22 GLN 48 -4.934 -8.878 -6.573 346 H CYS 49 HN CYS 49 -2.855 -5.388 -4.028 347 HA CYS 49 HA CYS 49 -0.957 -3.904 -2.336 348 HB2 CYS 49 HB2 CYS 49 -1.566 -2.745 -4.364 349 HB3 CYS 49 HB1 CYS 49 -3.275 -2.947 -3.955 350 H SER 50 HN SER 50 -1.387 -3.719 -0.309 351 HA SER 50 HA SER 50 -4.176 -3.870 0.569 352 HB2 SER 50 HB2 SER 50 -1.844 -5.327 1.847 353 HB3 SER 50 HB1 SER 50 -3.474 -5.246 2.512 354 HG SER 50 HG SER 50 -3.402 -6.000 -0.113 355 H CYS 51 HN CYS 51 -4.661 -2.630 2.425 356 HA CYS 51 HA CYS 51 -2.468 -1.003 3.531 357 HB2 CYS 51 HB2 CYS 51 -5.105 0.261 2.885 358 HB3 CYS 51 HB1 CYS 51 -3.524 1.018 3.093 359 H ARG 52 HN ARG 52 -3.050 0.009 5.608 360 HA ARG 52 HA ARG 52 -5.484 -1.000 6.932 361 HB2 ARG 52 HB2 ARG 52 -4.288 -2.054 8.769 362 HB3 ARG 52 HB1 ARG 52 -3.768 -2.797 7.254 363 HG2 ARG 52 HG2 ARG 52 -1.829 -1.171 7.231 364 HG3 ARG 52 HG1 ARG 52 -2.297 -0.690 8.861 365 HD2 ARG 52 HD2 ARG 52 -2.050 -3.019 9.625 366 HD3 ARG 52 HD1 ARG 52 -1.566 -3.500 8.001 367 HE ARG 52 HE ARG 52 0.058 -2.071 9.941 368 HH11 ARG 52 HH11 ARG 52 -0.490 -2.916 6.630 369 HH12 ARG 52 HH12 ARG 52 1.154 -2.663 6.149 370 HH21 ARG 52 HH21 ARG 52 2.219 -1.742 9.317 371 HH22 ARG 52 HH22 ARG 52 2.688 -1.999 7.670 372 H ARG 53 HN ARG 53 -6.170 0.316 8.588 373 HA ARG 53 HA ARG 53 -5.406 2.966 8.724 374 HB2 ARG 53 HB2 ARG 53 -7.509 2.162 9.616 375 HB3 ARG 53 HB1 ARG 53 -6.637 1.375 10.926 376 HG2 ARG 53 HG2 ARG 53 -5.890 3.447 11.827 377 HG3 ARG 53 HG1 ARG 53 -6.351 4.325 10.368 378 HD2 ARG 53 HD2 ARG 53 -8.673 3.987 10.803 379 HD3 ARG 53 HD1 ARG 53 -8.337 2.890 12.139 380 HE ARG 53 HE ARG 53 -7.119 5.344 12.732 381 HH11 ARG 53 HH11 ARG 53 -10.260 4.013 12.179 382 HH12 ARG 53 HH12 ARG 53 -11.075 5.135 13.216 383 HH21 ARG 53 HH21 ARG 53 -8.180 6.828 14.101 384 HH22 ARG 53 HH22 ARG 53 -9.898 6.729 14.305 385 H VAL 54 HN VAL 54 -4.308 4.192 10.191 386 HA VAL 54 HA VAL 54 -2.839 3.486 12.426 387 HB VAL 54 HB VAL 54 -1.598 1.950 11.061 388 HG11 VAL 54 HG11 VAL 54 -1.406 4.290 9.176 389 HG12 VAL 54 HG12 VAL 54 -0.217 2.987 9.133 390 HG13 VAL 54 HG13 VAL 54 -1.922 2.639 8.870 391 HG21 VAL 54 HG21 VAL 54 0.422 4.073 11.077 392 HG22 VAL 54 HG22 VAL 54 -0.454 3.896 12.597 393 HG23 VAL 54 HG23 VAL 54 0.407 2.517 11.914 394 H CYS 55 HN CYS 55 -4.028 5.765 12.227 395 HA CYS 55 HA CYS 55 -3.681 8.031 12.458 396 HB2 CYS 55 HB2 CYS 55 -1.648 8.631 13.197 397 HB3 CYS 55 HB1 CYS 55 -1.033 7.047 12.746 398 H ARG 56 HN ARG 56 -2.927 6.273 9.712 399 HA ARG 56 HA ARG 56 -4.086 8.047 7.897 400 HB2 ARG 56 HB2 ARG 56 -1.516 8.896 8.589 401 HB3 ARG 56 HB1 ARG 56 -1.304 8.035 7.066 402 HG2 ARG 56 HG2 ARG 56 -1.828 10.250 6.367 403 HG3 ARG 56 HG1 ARG 56 -3.368 9.413 6.250 404 HD2 ARG 56 HD2 ARG 56 -4.114 10.328 8.349 405 HD3 ARG 56 HD1 ARG 56 -2.516 10.971 8.712 406 HE ARG 56 HE ARG 56 -2.954 12.754 7.263 407 HH11 ARG 56 HH11 ARG 56 -5.335 10.252 7.016 408 HH12 ARG 56 HH12 ARG 56 -6.429 11.202 6.067 409 HH21 ARG 56 HH21 ARG 56 -4.379 13.996 6.023 410 HH22 ARG 56 HH22 ARG 56 -5.888 13.322 5.506 411 H ASN 57 HN ASN 57 -3.868 5.256 8.516 412 HA ASN 57 HA ASN 57 -3.771 3.270 7.393 413 HB2 ASN 57 HB2 ASN 57 -4.837 5.009 5.665 414 HB3 ASN 57 HB1 ASN 57 -3.404 4.518 4.782 415 HD21 ASN 57 HD21 ASN 57 -6.250 3.786 4.170 416 HD22 ASN 57 HD22 ASN 57 -6.304 2.090 4.226 417 H THR 58 HN THR 58 -2.338 1.837 6.555 418 HA THR 58 HA THR 58 0.406 2.802 6.120 419 HB THR 58 HB THR 58 0.227 -0.047 6.658 420 HG1 THR 58 HG1 THR 58 -1.532 1.008 7.967 421 HG21 THR 58 HG21 THR 58 2.326 1.132 6.730 422 HG22 THR 58 HG22 THR 58 1.711 2.255 7.950 423 HG23 THR 58 HG23 THR 58 1.962 0.559 8.359 424 H CYS 59 HN CYS 59 1.679 1.484 4.657 425 HA CYS 59 HA CYS 59 0.022 0.465 2.433 426 HB2 CYS 59 HB2 CYS 59 1.469 2.528 2.151 427 HB3 CYS 59 HB1 CYS 59 2.861 1.484 2.371 428 H SER 60 HN SER 60 0.230 -1.558 1.843 429 HA SER 60 HA SER 60 2.695 -3.030 2.297 430 HB2 SER 60 HB2 SER 60 1.475 -4.912 3.386 431 HB3 SER 60 HB1 SER 60 1.518 -3.463 4.387 432 HG SER 60 HG SER 60 -0.609 -3.780 2.599 433 H CYS 61 HN CYS 61 3.047 -3.726 0.288 434 HA CYS 61 HA CYS 61 0.785 -4.936 -1.174 435 HB2 CYS 61 HB2 CYS 61 3.188 -3.496 -2.311 436 HB3 CYS 61 HB1 CYS 61 1.963 -4.315 -3.268 437 H ILE 62 HN ILE 62 0.991 -6.988 -1.680 438 HA ILE 62 HA ILE 62 3.629 -8.268 -1.694 439 HB ILE 62 HB ILE 62 2.297 -10.133 -0.264 440 HG12 ILE 62 HG12 ILE 62 1.153 -8.996 1.591 441 HG13 ILE 62 HG11 ILE 62 1.391 -7.438 0.802 442 HG21 ILE 62 HG21 ILE 62 3.818 -7.786 0.909 443 HG22 ILE 62 HG22 ILE 62 3.616 -9.372 1.651 444 HG23 ILE 62 HG23 ILE 62 4.569 -9.206 0.178 445 HD11 ILE 62 HD11 ILE 62 -0.855 -8.925 0.510 446 HD12 ILE 62 HD12 ILE 62 -0.270 -7.816 -0.729 447 HD13 ILE 62 HD13 ILE 62 0.090 -9.537 -0.845 448 H ARG 63 HN ARG 63 3.371 -10.693 -2.214 449 HA ARG 63 HA ARG 63 1.649 -10.827 -4.567 450 HB2 ARG 63 HB2 ARG 63 3.214 -13.229 -3.993 451 HB3 ARG 63 HB1 ARG 63 3.184 -12.232 -5.443 452 HG2 ARG 63 HG2 ARG 63 5.393 -12.006 -4.627 453 HG3 ARG 63 HG1 ARG 63 4.588 -10.536 -4.095 454 HD2 ARG 63 HD2 ARG 63 5.259 -11.045 -2.009 455 HD3 ARG 63 HD1 ARG 63 4.088 -12.360 -2.042 456 HE ARG 63 HE ARG 63 6.609 -13.039 -3.274 457 HH11 ARG 63 HH11 ARG 63 4.822 -12.776 -0.319 458 HH12 ARG 63 HH12 ARG 63 5.766 -13.963 0.518 459 HH21 ARG 63 HH21 ARG 63 7.845 -14.604 -2.181 460 HH22 ARG 63 HH22 ARG 63 7.475 -14.997 -0.535 461 H LEU 64 HN LEU 64 1.594 -11.688 -1.366 462 HA LEU 64 HA LEU 64 -0.577 -13.653 -1.832 463 HB2 LEU 64 HB2 LEU 64 1.519 -13.745 0.352 464 HB3 LEU 64 HB1 LEU 64 0.138 -14.832 0.228 465 HG LEU 64 HG LEU 64 2.276 -14.505 -1.901 466 HD11 LEU 64 HD11 LEU 64 3.499 -15.771 -0.467 467 HD12 LEU 64 HD12 LEU 64 2.093 -16.172 0.519 468 HD13 LEU 64 HD13 LEU 64 2.425 -17.084 -0.954 469 HD21 LEU 64 HD21 LEU 64 1.104 -16.856 -2.449 470 HD22 LEU 64 HD22 LEU 64 -0.271 -16.059 -1.687 471 HD23 LEU 64 HD23 LEU 64 0.491 -15.341 -3.106 472 H SER 65 HN SER 65 -2.413 -13.431 -0.617 473 HA SER 65 HA SER 65 -2.993 -10.920 0.530 474 HB2 SER 65 HB2 SER 65 -5.097 -11.918 1.221 475 HB3 SER 65 HB1 SER 65 -4.693 -12.489 -0.396 476 HG SER 65 HG SER 65 -4.213 -14.437 0.396 477 H ARG 66 HN ARG 66 -1.639 -13.832 1.857 478 HA ARG 66 HA ARG 66 -2.171 -13.240 4.610 479 HB2 ARG 66 HB2 ARG 66 -0.203 -15.100 3.266 480 HB3 ARG 66 HB1 ARG 66 -0.414 -14.994 5.014 481 HG2 ARG 66 HG2 ARG 66 -2.851 -15.501 4.692 482 HG3 ARG 66 HG1 ARG 66 -2.524 -15.765 2.978 483 HD2 ARG 66 HD2 ARG 66 -1.144 -17.252 5.226 484 HD3 ARG 66 HD1 ARG 66 -2.515 -17.876 4.319 485 HE ARG 66 HE ARG 66 -1.133 -18.024 2.380 486 HH11 ARG 66 HH11 ARG 66 0.543 -16.897 5.211 487 HH12 ARG 66 HH12 ARG 66 2.112 -17.250 4.576 488 HH21 ARG 66 HH21 ARG 66 0.923 -18.497 1.572 489 HH22 ARG 66 HH22 ARG 66 2.329 -18.151 2.523 490 H SER 67 HN SER 67 -0.645 -12.570 6.199 491 HA SER 67 HA SER 67 1.218 -11.461 7.023 492 HB2 SER 67 HB2 SER 67 2.323 -12.627 4.887 493 HB3 SER 67 HB1 SER 67 2.366 -10.959 4.321 494 HG SER 67 HG SER 67 4.115 -10.916 5.506 495 H THR 68 HN THR 68 0.279 -9.611 7.719 496 HA THR 68 HA THR 68 0.579 -7.235 6.132 497 HB THR 68 HB THR 68 -1.584 -8.349 5.334 498 HG1 THR 68 HG1 THR 68 -1.048 -5.778 6.076 499 HG21 THR 68 HG21 THR 68 -3.422 -8.459 6.722 500 HG22 THR 68 HG22 THR 68 -2.146 -8.737 7.906 501 HG23 THR 68 HG23 THR 68 -2.862 -7.133 7.740 502 H TYR 69 HN TYR 69 1.228 -8.448 8.783 503 HA TYR 69 HA TYR 69 1.432 -7.803 10.978 504 HB2 TYR 69 HB2 TYR 69 2.450 -5.813 10.167 505 HB3 TYR 69 HB1 TYR 69 0.903 -5.148 9.642 506 HD1 TYR 69 HD1 TYR 69 2.557 -6.456 12.745 507 HD2 TYR 69 HD2 TYR 69 -0.174 -3.608 11.045 508 HE1 TYR 69 HE1 TYR 69 2.272 -5.397 14.969 509 HE2 TYR 69 HE2 TYR 69 -0.464 -2.558 13.268 510 HH TYR 69 HH TYR 69 1.304 -2.558 15.543 511 H ALA 70 HN ALA 70 -0.991 -5.359 10.199 512 HA ALA 70 HA ALA 70 -2.921 -6.805 11.914 513 HB1 ALA 70 HB1 ALA 70 -1.991 -4.879 13.118 514 HB2 ALA 70 HB2 ALA 70 -2.451 -3.817 11.788 515 HB3 ALA 70 HB3 ALA 70 -3.695 -4.622 12.744 516 H SER 71 HN SER 71 -5.000 -6.908 11.200 517 HA SER 71 HA SER 71 -5.555 -6.593 8.468 518 HB2 SER 71 HB2 SER 71 -6.800 -8.070 10.082 519 HB3 SER 71 HB1 SER 71 -7.591 -6.624 10.703 520 HG SER 71 HG SER 71 -8.633 -6.371 8.826 Start of MODEL 19 1 H LEU 1 HN LEU 1 -12.605 8.857 1.188 2 HA LEU 1 HA LEU 1 -13.077 7.732 -1.349 3 HB2 LEU 1 HB2 LEU 1 -11.126 9.879 -1.320 4 HB3 LEU 1 HB1 LEU 1 -10.396 8.356 -1.831 5 HG LEU 1 HG LEU 1 -12.189 8.049 -3.498 6 HD11 LEU 1 HD11 LEU 1 -13.380 10.204 -1.951 7 HD12 LEU 1 HD12 LEU 1 -13.336 10.604 -3.668 8 HD13 LEU 1 HD13 LEU 1 -14.135 9.128 -3.127 9 HD21 LEU 1 HD21 LEU 1 -10.072 9.360 -4.001 10 HD22 LEU 1 HD22 LEU 1 -11.441 9.735 -5.047 11 HD23 LEU 1 HD23 LEU 1 -11.009 10.831 -3.735 12 H ARG 2 HN ARG 2 -10.926 6.305 -1.930 13 HA ARG 2 HA ARG 2 -9.618 5.293 0.451 14 HB2 ARG 2 HB2 ARG 2 -10.493 3.003 0.202 15 HB3 ARG 2 HB1 ARG 2 -11.777 4.147 0.587 16 HG2 ARG 2 HG2 ARG 2 -12.375 4.280 -1.809 17 HG3 ARG 2 HG1 ARG 2 -11.104 3.116 -2.188 18 HD2 ARG 2 HD2 ARG 2 -13.444 2.595 -0.339 19 HD3 ARG 2 HD1 ARG 2 -13.322 2.031 -1.998 20 HE ARG 2 HE ARG 2 -11.565 0.555 -1.338 21 HH11 ARG 2 HH11 ARG 2 -12.934 2.369 1.301 22 HH12 ARG 2 HH12 ARG 2 -12.313 1.303 2.513 23 HH21 ARG 2 HH21 ARG 2 -10.779 -0.827 0.258 24 HH22 ARG 2 HH22 ARG 2 -11.099 -0.498 1.928 25 H VAL 3 HN VAL 3 -8.198 3.381 -0.118 26 HA VAL 3 HA VAL 3 -6.994 3.896 -2.741 27 HB VAL 3 HB VAL 3 -5.912 2.436 -0.306 28 HG11 VAL 3 HG11 VAL 3 -4.707 1.438 -2.004 29 HG12 VAL 3 HG12 VAL 3 -4.936 2.795 -3.107 30 HG13 VAL 3 HG13 VAL 3 -3.752 2.904 -1.806 31 HG21 VAL 3 HG21 VAL 3 -4.553 4.843 -1.292 32 HG22 VAL 3 HG22 VAL 3 -6.194 5.157 -0.737 33 HG23 VAL 3 HG23 VAL 3 -5.021 4.417 0.351 34 H ARG 4 HN ARG 4 -7.562 2.611 -4.337 35 HA ARG 4 HA ARG 4 -8.936 0.133 -3.990 36 HB2 ARG 4 HB2 ARG 4 -7.672 1.351 -6.458 37 HB3 ARG 4 HB1 ARG 4 -8.746 -0.047 -6.453 38 HG2 ARG 4 HG2 ARG 4 -10.580 1.268 -5.608 39 HG3 ARG 4 HG1 ARG 4 -9.525 2.655 -5.328 40 HD2 ARG 4 HD2 ARG 4 -10.067 1.435 -8.050 41 HD3 ARG 4 HD1 ARG 4 -10.872 2.870 -7.422 42 HE ARG 4 HE ARG 4 -8.114 3.310 -7.232 43 HH11 ARG 4 HH11 ARG 4 -10.548 2.771 -9.635 44 HH12 ARG 4 HH12 ARG 4 -9.738 3.693 -10.857 45 HH21 ARG 4 HH21 ARG 4 -7.048 4.516 -8.831 46 HH22 ARG 4 HH22 ARG 4 -7.757 4.680 -10.403 47 H ARG 5 HN ARG 5 -7.995 -1.712 -5.621 48 HA ARG 5 HA ARG 5 -5.159 -2.113 -5.250 49 HB2 ARG 5 HB2 ARG 5 -5.653 -4.346 -4.152 50 HB3 ARG 5 HB1 ARG 5 -5.879 -2.928 -3.134 51 HG2 ARG 5 HG2 ARG 5 -8.293 -2.968 -3.609 52 HG3 ARG 5 HG1 ARG 5 -8.071 -4.373 -4.655 53 HD2 ARG 5 HD2 ARG 5 -7.276 -5.702 -2.768 54 HD3 ARG 5 HD1 ARG 5 -7.355 -4.297 -1.709 55 HE ARG 5 HE ARG 5 -9.904 -4.717 -2.845 56 HH11 ARG 5 HH11 ARG 5 -7.647 -6.179 -0.661 57 HH12 ARG 5 HH12 ARG 5 -8.866 -6.950 0.299 58 HH21 ARG 5 HH21 ARG 5 -11.506 -5.717 -1.577 59 HH22 ARG 5 HH22 ARG 5 -11.047 -6.688 -0.218 60 H THR 6 HN THR 6 -4.581 -4.371 -6.125 61 HA THR 6 HA THR 6 -4.758 -6.068 -7.706 62 HB THR 6 HB THR 6 -7.198 -4.994 -8.987 63 HG1 THR 6 HG1 THR 6 -7.733 -4.660 -6.910 64 HG21 THR 6 HG21 THR 6 -7.738 -7.300 -9.204 65 HG22 THR 6 HG22 THR 6 -6.007 -7.176 -9.513 66 HG23 THR 6 HG23 THR 6 -6.584 -7.756 -7.951 67 H LEU 7 HN LEU 7 -3.641 -3.364 -7.904 68 HA LEU 7 HA LEU 7 -3.355 -3.358 -10.795 69 HB2 LEU 7 HB2 LEU 7 -3.443 -0.743 -10.580 70 HB3 LEU 7 HB1 LEU 7 -4.916 -1.687 -10.780 71 HG LEU 7 HG LEU 7 -4.094 -1.433 -7.962 72 HD11 LEU 7 HD11 LEU 7 -4.601 0.997 -9.649 73 HD12 LEU 7 HD12 LEU 7 -5.048 0.956 -7.948 74 HD13 LEU 7 HD13 LEU 7 -3.368 0.723 -8.414 75 HD21 LEU 7 HD21 LEU 7 -6.649 -0.545 -9.324 76 HD22 LEU 7 HD22 LEU 7 -6.309 -2.247 -9.021 77 HD23 LEU 7 HD23 LEU 7 -6.440 -1.119 -7.672 78 H GLN 8 HN GLN 8 -2.305 -0.578 -9.048 79 HA GLN 8 HA GLN 8 0.466 -1.589 -8.983 80 HB2 GLN 8 HB2 GLN 8 -0.473 0.470 -10.620 81 HB3 GLN 8 HB1 GLN 8 0.223 1.306 -9.230 82 HG2 GLN 8 HG2 GLN 8 1.639 -0.825 -10.849 83 HG3 GLN 8 HG1 GLN 8 1.906 0.909 -11.008 84 HE21 GLN 8 HE21 GLN 8 1.903 1.704 -8.289 85 HE22 GLN 8 HE22 GLN 8 3.215 0.971 -7.499 86 H CYS 9 HN CYS 9 1.551 -1.181 -7.173 87 HA CYS 9 HA CYS 9 0.128 0.274 -5.063 88 HB2 CYS 9 HB2 CYS 9 0.073 -2.005 -4.575 89 HB3 CYS 9 HB1 CYS 9 1.772 -2.219 -4.964 90 H SER 10 HN SER 10 1.022 1.881 -4.109 91 HA SER 10 HA SER 10 3.946 2.118 -4.046 92 HB2 SER 10 HB2 SER 10 3.791 4.496 -4.631 93 HB3 SER 10 HB1 SER 10 3.139 3.505 -5.934 94 HG SER 10 HG SER 10 1.873 5.414 -5.104 95 H CYS 11 HN CYS 11 4.704 3.069 -2.167 96 HA CYS 11 HA CYS 11 2.672 3.955 -0.215 97 HB2 CYS 11 HB2 CYS 11 5.129 2.425 0.605 98 HB3 CYS 11 HB1 CYS 11 3.651 2.698 1.524 99 H ARG 12 HN ARG 12 3.476 5.415 1.426 100 HA ARG 12 HA ARG 12 6.153 6.571 0.931 101 HB2 ARG 12 HB2 ARG 12 5.379 8.833 0.646 102 HB3 ARG 12 HB1 ARG 12 4.527 7.837 -0.534 103 HG2 ARG 12 HG2 ARG 12 2.644 7.639 1.122 104 HG3 ARG 12 HG1 ARG 12 3.467 8.843 2.117 105 HD2 ARG 12 HD2 ARG 12 1.835 9.986 0.777 106 HD3 ARG 12 HD1 ARG 12 3.430 10.389 0.146 107 HE ARG 12 HE ARG 12 2.358 8.120 -1.205 108 HH11 ARG 12 HH11 ARG 12 2.079 11.549 -0.865 109 HH12 ARG 12 HH12 ARG 12 1.500 11.802 -2.478 110 HH21 ARG 12 HH21 ARG 12 1.606 8.436 -3.318 111 HH22 ARG 12 HH22 ARG 12 1.231 10.034 -3.869 112 H ARG 13 HN ARG 13 7.030 7.665 2.679 113 HA ARG 13 HA ARG 13 6.309 6.811 5.220 114 HB2 ARG 13 HB2 ARG 13 8.515 7.676 4.691 115 HB3 ARG 13 HB1 ARG 13 7.823 9.283 4.534 116 HG2 ARG 13 HG2 ARG 13 7.309 9.431 6.827 117 HG3 ARG 13 HG1 ARG 13 7.464 7.688 7.057 118 HD2 ARG 13 HD2 ARG 13 9.848 7.789 6.732 119 HD3 ARG 13 HD1 ARG 13 9.772 9.489 6.278 120 HE ARG 13 HE ARG 13 8.681 9.277 8.841 121 HH11 ARG 13 HH11 ARG 13 11.678 8.681 7.209 122 HH12 ARG 13 HH12 ARG 13 12.658 9.005 8.601 123 HH21 ARG 13 HH21 ARG 13 9.965 9.702 10.668 124 HH22 ARG 13 HH22 ARG 13 11.689 9.582 10.557 125 H VAL 14 HN VAL 14 5.263 7.583 6.860 126 HA VAL 14 HA VAL 14 4.068 10.137 7.135 127 HB VAL 14 HB VAL 14 2.747 9.166 5.220 128 HG11 VAL 14 HG11 VAL 14 2.686 6.886 6.879 129 HG12 VAL 14 HG12 VAL 14 1.043 7.517 6.851 130 HG13 VAL 14 HG13 VAL 14 1.861 7.137 5.362 131 HG21 VAL 14 HG21 VAL 14 1.737 10.286 7.725 132 HG22 VAL 14 HG22 VAL 14 1.391 10.760 6.060 133 HG23 VAL 14 HG23 VAL 14 0.507 9.424 6.798 134 H CYS 15 HN CYS 15 5.447 8.859 9.034 135 HA CYS 15 HA CYS 15 5.293 8.323 11.272 136 HB2 CYS 15 HB2 CYS 15 3.426 8.913 12.383 137 HB3 CYS 15 HB1 CYS 15 2.727 9.336 10.827 138 H ARG 16 HN ARG 16 4.060 6.559 8.727 139 HA ARG 16 HA ARG 16 5.035 4.084 9.606 140 HB2 ARG 16 HB2 ARG 16 2.643 4.683 10.882 141 HB3 ARG 16 HB1 ARG 16 2.145 3.693 9.511 142 HG2 ARG 16 HG2 ARG 16 2.621 2.071 11.174 143 HG3 ARG 16 HG1 ARG 16 4.114 2.118 10.247 144 HD2 ARG 16 HD2 ARG 16 5.149 3.593 11.878 145 HD3 ARG 16 HD1 ARG 16 3.634 3.756 12.760 146 HE ARG 16 HE ARG 16 4.254 1.027 12.666 147 HH11 ARG 16 HH11 ARG 16 5.539 3.988 13.939 148 HH12 ARG 16 HH12 ARG 16 6.318 3.226 15.284 149 HH21 ARG 16 HH21 ARG 16 5.288 0.034 14.425 150 HH22 ARG 16 HH22 ARG 16 6.177 0.996 15.559 151 H ASN 17 HN ASN 17 5.004 5.585 7.226 152 HA ASN 17 HA ASN 17 4.713 5.301 4.983 153 HB2 ASN 17 HB2 ASN 17 4.982 2.704 6.099 154 HB3 ASN 17 HB1 ASN 17 3.782 2.659 4.821 155 HD21 ASN 17 HD21 ASN 17 4.573 4.127 2.801 156 HD22 ASN 17 HD22 ASN 17 6.178 3.844 2.327 157 H THR 18 HN THR 18 3.110 5.378 3.448 158 HA THR 18 HA THR 18 0.319 5.203 4.404 159 HB THR 18 HB THR 18 0.527 6.741 1.974 160 HG1 THR 18 HG1 THR 18 2.530 7.131 3.685 161 HG21 THR 18 HG21 THR 18 -1.381 6.859 3.437 162 HG22 THR 18 HG22 THR 18 -0.378 7.400 4.788 163 HG23 THR 18 HG23 THR 18 -0.617 8.450 3.392 164 H CYS 19 HN CYS 19 -1.239 4.662 2.770 165 HA CYS 19 HA CYS 19 -0.154 2.689 0.865 166 HB2 CYS 19 HB2 CYS 19 -1.671 1.987 2.750 167 HB3 CYS 19 HB1 CYS 19 -2.940 2.933 2.010 168 H SER 20 HN SER 20 -0.084 3.433 -1.109 169 HA SER 20 HA SER 20 -2.445 4.797 -2.195 170 HB2 SER 20 HB2 SER 20 0.429 5.549 -2.759 171 HB3 SER 20 HB1 SER 20 -0.995 6.258 -3.522 172 HG SER 20 HG SER 20 -0.468 6.241 -0.728 173 H CYS 21 HN CYS 21 -3.241 3.296 -3.513 174 HA CYS 21 HA CYS 21 -1.373 1.990 -5.378 175 HB2 CYS 21 HB2 CYS 21 -3.884 0.840 -4.154 176 HB3 CYS 21 HB1 CYS 21 -2.968 0.059 -5.433 177 H ILE 22 HN ILE 22 -1.727 2.398 -7.435 178 HA ILE 22 HA ILE 22 -4.374 3.101 -8.430 179 HB ILE 22 HB ILE 22 -3.231 5.238 -9.494 180 HG12 ILE 22 HG12 ILE 22 -1.766 6.361 -7.868 181 HG13 ILE 22 HG11 ILE 22 -1.785 4.923 -6.853 182 HG21 ILE 22 HG21 ILE 22 -4.133 5.343 -6.605 183 HG22 ILE 22 HG22 ILE 22 -4.300 6.594 -7.832 184 HG23 ILE 22 HG23 ILE 22 -5.263 5.124 -7.945 185 HD11 ILE 22 HD11 ILE 22 0.188 5.315 -8.556 186 HD12 ILE 22 HD12 ILE 22 -0.477 3.698 -8.336 187 HD13 ILE 22 HD13 ILE 22 -0.962 4.671 -9.726 188 H ARG 23 HN ARG 23 -4.511 3.187 -10.728 189 HA ARG 23 HA ARG 23 -2.432 1.588 -12.012 190 HB2 ARG 23 HB2 ARG 23 -4.007 1.194 -13.768 191 HB3 ARG 23 HB1 ARG 23 -4.887 1.048 -12.247 192 HG2 ARG 23 HG2 ARG 23 -5.471 3.532 -12.538 193 HG3 ARG 23 HG1 ARG 23 -4.911 3.349 -14.202 194 HD2 ARG 23 HD2 ARG 23 -7.286 2.959 -14.208 195 HD3 ARG 23 HD1 ARG 23 -6.499 1.397 -14.423 196 HE ARG 23 HE ARG 23 -7.011 1.961 -11.658 197 HH11 ARG 23 HH11 ARG 23 -8.399 0.902 -14.643 198 HH12 ARG 23 HH12 ARG 23 -9.654 -0.025 -13.891 199 HH21 ARG 23 HH21 ARG 23 -8.660 0.757 -10.662 200 HH22 ARG 23 HH22 ARG 23 -9.802 -0.107 -11.637 201 H LEU 24 HN LEU 24 -3.001 4.789 -11.552 202 HA LEU 24 HA LEU 24 -1.777 5.552 -14.145 203 HB2 LEU 24 HB2 LEU 24 -3.386 7.255 -12.225 204 HB3 LEU 24 HB1 LEU 24 -2.711 7.793 -13.762 205 HG LEU 24 HG LEU 24 -4.732 5.555 -13.435 206 HD11 LEU 24 HD11 LEU 24 -5.959 7.478 -14.912 207 HD12 LEU 24 HD12 LEU 24 -6.130 7.336 -13.162 208 HD13 LEU 24 HD13 LEU 24 -4.972 8.476 -13.847 209 HD21 LEU 24 HD21 LEU 24 -4.845 6.235 -16.036 210 HD22 LEU 24 HD22 LEU 24 -3.156 6.637 -15.726 211 HD23 LEU 24 HD23 LEU 24 -3.740 4.998 -15.437 212 H SER 25 HN SER 25 0.222 6.372 -14.141 213 HA SER 25 HA SER 25 1.811 6.426 -11.804 214 HB2 SER 25 HB2 SER 25 2.261 7.653 -14.532 215 HB3 SER 25 HB1 SER 25 3.484 7.578 -13.267 216 HG SER 25 HG SER 25 3.829 5.735 -14.316 217 H ARG 26 HN ARG 26 0.199 8.992 -13.644 218 HA ARG 26 HA ARG 26 1.229 11.120 -12.024 219 HB2 ARG 26 HB2 ARG 26 -1.081 10.995 -13.974 220 HB3 ARG 26 HB1 ARG 26 -0.544 12.474 -13.177 221 HG2 ARG 26 HG2 ARG 26 1.743 12.095 -14.123 222 HG3 ARG 26 HG1 ARG 26 1.103 10.715 -15.016 223 HD2 ARG 26 HD2 ARG 26 -0.501 12.184 -16.163 224 HD3 ARG 26 HD1 ARG 26 0.101 13.567 -15.255 225 HE ARG 26 HE ARG 26 2.001 13.592 -16.623 226 HH11 ARG 26 HH11 ARG 26 0.075 10.759 -17.122 227 HH12 ARG 26 HH12 ARG 26 0.923 10.268 -18.551 228 HH21 ARG 26 HH21 ARG 26 3.116 12.953 -18.495 229 HH22 ARG 26 HH22 ARG 26 2.644 11.510 -19.327 230 H SER 27 HN SER 27 0.177 12.306 -10.428 231 HA SER 27 HA SER 27 -1.156 12.618 -8.585 232 HB2 SER 27 HB2 SER 27 -2.882 12.641 -10.537 233 HB3 SER 27 HB1 SER 27 -3.328 11.044 -9.941 234 HG SER 27 HG SER 27 -3.061 13.184 -8.143 235 H THR 28 HN THR 28 -0.161 11.453 -7.059 236 HA THR 28 HA THR 28 -0.888 8.611 -6.787 237 HB THR 28 HB THR 28 1.092 8.465 -5.334 238 HG1 THR 28 HG1 THR 28 2.499 10.368 -5.475 239 HG21 THR 28 HG21 THR 28 1.328 8.006 -7.724 240 HG22 THR 28 HG22 THR 28 1.584 9.722 -8.042 241 HG23 THR 28 HG23 THR 28 2.778 8.808 -7.119 242 H TYR 29 HN TYR 29 -1.313 11.726 -5.439 243 HA TYR 29 HA TYR 29 -2.992 10.610 -3.360 244 HB2 TYR 29 HB2 TYR 29 -0.511 10.989 -2.527 245 HB3 TYR 29 HB1 TYR 29 -1.014 12.665 -2.417 246 HD1 TYR 29 HD1 TYR 29 -0.168 10.972 -0.110 247 HD2 TYR 29 HD2 TYR 29 -4.089 11.661 -1.726 248 HE1 TYR 29 HE1 TYR 29 -1.174 10.408 2.080 249 HE2 TYR 29 HE2 TYR 29 -5.081 11.105 0.463 250 HH TYR 29 HH TYR 29 -4.059 9.498 2.590 251 H ALA 30 HN ALA 30 -2.630 13.339 -2.037 252 HA ALA 30 HA ALA 30 -3.653 15.354 -2.026 253 HB1 ALA 30 HB1 ALA 30 -2.317 15.405 -4.331 254 HB2 ALA 30 HB2 ALA 30 -3.948 15.392 -5.000 255 HB3 ALA 30 HB3 ALA 30 -3.454 16.683 -3.905 256 H SER 31 HN SER 31 -5.226 13.064 -1.723 257 HA SER 31 HA SER 31 -7.822 14.113 -2.474 258 HB2 SER 31 HB2 SER 31 -6.703 12.385 -4.274 259 HB3 SER 31 HB1 SER 31 -7.589 11.276 -3.231 260 HG SER 31 HG SER 31 -8.621 12.586 -5.140 261 H LEU 41 HN LEU 41 9.191 3.913 1.600 262 HA LEU 41 HA LEU 41 9.904 3.809 -1.218 263 HB2 LEU 41 HB2 LEU 41 10.718 1.304 0.010 264 HB3 LEU 41 HB1 LEU 41 11.596 2.335 -1.119 265 HG LEU 41 HG LEU 41 12.118 3.859 0.846 266 HD11 LEU 41 HD11 LEU 41 11.275 3.409 2.892 267 HD12 LEU 41 HD12 LEU 41 10.263 2.181 2.132 268 HD13 LEU 41 HD13 LEU 41 11.829 1.737 2.809 269 HD21 LEU 41 HD21 LEU 41 14.031 2.706 0.448 270 HD22 LEU 41 HD22 LEU 41 13.585 1.763 1.869 271 HD23 LEU 41 HD23 LEU 41 13.173 1.177 0.258 272 H ARG 42 HN ARG 42 8.725 2.247 -2.381 273 HA ARG 42 HA ARG 42 6.146 1.682 -1.370 274 HB2 ARG 42 HB2 ARG 42 5.836 0.412 -3.446 275 HB3 ARG 42 HB1 ARG 42 6.627 1.955 -3.770 276 HG2 ARG 42 HG2 ARG 42 8.842 0.747 -3.659 277 HG3 ARG 42 HG1 ARG 42 7.939 -0.768 -3.583 278 HD2 ARG 42 HD2 ARG 42 8.545 -0.347 -5.896 279 HD3 ARG 42 HD1 ARG 42 6.804 -0.140 -5.722 280 HE ARG 42 HE ARG 42 7.073 2.124 -6.190 281 HH11 ARG 42 HH11 ARG 42 10.103 0.620 -5.461 282 HH12 ARG 42 HH12 ARG 42 11.053 1.992 -5.925 283 HH21 ARG 42 HH21 ARG 42 8.311 3.927 -6.800 284 HH22 ARG 42 HH22 ARG 42 10.038 3.864 -6.683 285 H VAL 43 HN VAL 43 5.235 -0.145 -0.537 286 HA VAL 43 HA VAL 43 6.882 -1.948 0.861 287 HB VAL 43 HB VAL 43 3.926 -1.992 0.242 288 HG11 VAL 43 HG11 VAL 43 4.272 -4.270 0.521 289 HG12 VAL 43 HG12 VAL 43 5.694 -4.030 1.535 290 HG13 VAL 43 HG13 VAL 43 4.084 -3.760 2.198 291 HG21 VAL 43 HG21 VAL 43 3.730 -1.494 2.620 292 HG22 VAL 43 HG22 VAL 43 5.476 -1.614 2.818 293 HG23 VAL 43 HG23 VAL 43 4.786 -0.303 1.862 294 H ARG 44 HN ARG 44 5.186 -2.235 -2.200 295 HA ARG 44 HA ARG 44 7.012 -4.311 -3.057 296 HB2 ARG 44 HB2 ARG 44 4.446 -5.000 -1.968 297 HB3 ARG 44 HB1 ARG 44 4.515 -5.463 -3.660 298 HG2 ARG 44 HG2 ARG 44 6.633 -6.137 -1.606 299 HG3 ARG 44 HG1 ARG 44 5.335 -7.231 -2.078 300 HD2 ARG 44 HD2 ARG 44 6.470 -7.868 -3.908 301 HD3 ARG 44 HD1 ARG 44 6.655 -6.199 -4.427 302 HE ARG 44 HE ARG 44 8.798 -6.200 -3.530 303 HH11 ARG 44 HH11 ARG 44 6.945 -8.901 -2.424 304 HH12 ARG 44 HH12 ARG 44 8.288 -9.689 -1.662 305 HH21 ARG 44 HH21 ARG 44 10.564 -7.219 -2.532 306 HH22 ARG 44 HH22 ARG 44 10.340 -8.734 -1.723 307 H ARG 45 HN ARG 45 5.543 -5.231 -5.257 308 HA ARG 45 HA ARG 45 5.718 -2.899 -6.977 309 HB2 ARG 45 HB2 ARG 45 5.449 -5.837 -7.557 310 HB3 ARG 45 HB1 ARG 45 5.540 -4.589 -8.803 311 HG2 ARG 45 HG2 ARG 45 7.715 -3.852 -7.944 312 HG3 ARG 45 HG1 ARG 45 7.625 -5.043 -6.647 313 HD2 ARG 45 HD2 ARG 45 9.024 -5.893 -8.473 314 HD3 ARG 45 HD1 ARG 45 7.556 -6.856 -8.332 315 HE ARG 45 HE ARG 45 6.878 -6.048 -10.410 316 HH11 ARG 45 HH11 ARG 45 9.557 -4.249 -9.158 317 HH12 ARG 45 HH12 ARG 45 9.839 -3.382 -10.631 318 HH21 ARG 45 HH21 ARG 45 7.238 -4.911 -12.339 319 HH22 ARG 45 HH22 ARG 45 8.525 -3.756 -12.432 320 H THR 46 HN THR 46 3.683 -5.450 -7.914 321 HA THR 46 HA THR 46 1.326 -3.652 -7.826 322 HB THR 46 HB THR 46 0.554 -5.093 -9.792 323 HG1 THR 46 HG1 THR 46 3.248 -5.626 -10.220 324 HG21 THR 46 HG21 THR 46 2.693 -3.909 -11.133 325 HG22 THR 46 HG22 THR 46 1.153 -3.137 -10.766 326 HG23 THR 46 HG23 THR 46 2.522 -2.935 -9.675 327 H LEU 47 HN LEU 47 1.950 -7.095 -8.276 328 HA LEU 47 HA LEU 47 0.435 -8.848 -7.764 329 HB2 LEU 47 HB2 LEU 47 0.988 -9.285 -5.254 330 HB3 LEU 47 HB1 LEU 47 2.254 -9.359 -6.477 331 HG LEU 47 HG LEU 47 1.760 -6.678 -5.282 332 HD11 LEU 47 HD11 LEU 47 2.673 -9.027 -3.712 333 HD12 LEU 47 HD12 LEU 47 3.338 -7.443 -3.373 334 HD13 LEU 47 HD13 LEU 47 1.611 -7.697 -3.271 335 HD21 LEU 47 HD21 LEU 47 4.406 -8.081 -5.500 336 HD22 LEU 47 HD22 LEU 47 3.603 -7.548 -6.978 337 HD23 LEU 47 HD23 LEU 47 4.027 -6.376 -5.737 338 H GLN 48 HN GLN 48 0.125 -7.705 -4.515 339 HA GLN 48 HA GLN 48 -2.720 -7.073 -4.942 340 HB2 GLN 48 HB2 GLN 48 -1.978 -9.455 -3.818 341 HB3 GLN 48 HB1 GLN 48 -2.070 -8.412 -2.395 342 HG2 GLN 48 HG2 GLN 48 -4.334 -7.624 -3.339 343 HG3 GLN 48 HG1 GLN 48 -4.244 -9.040 -4.384 344 HE21 GLN 48 HE21 GLN 48 -6.213 -9.796 -3.120 345 HE22 GLN 48 HE22 GLN 48 -5.964 -10.553 -1.621 346 H CYS 49 HN CYS 49 -3.471 -5.474 -3.707 347 HA CYS 49 HA CYS 49 -1.518 -4.091 -1.999 348 HB2 CYS 49 HB2 CYS 49 -1.925 -2.893 -3.993 349 HB3 CYS 49 HB1 CYS 49 -3.659 -3.087 -3.799 350 H SER 50 HN SER 50 -1.983 -3.724 0.008 351 HA SER 50 HA SER 50 -4.786 -3.549 0.789 352 HB2 SER 50 HB2 SER 50 -2.729 -5.296 2.168 353 HB3 SER 50 HB1 SER 50 -4.358 -4.990 2.761 354 HG SER 50 HG SER 50 -5.029 -6.459 1.430 355 H CYS 51 HN CYS 51 -5.155 -2.227 2.627 356 HA CYS 51 HA CYS 51 -2.783 -0.756 3.637 357 HB2 CYS 51 HB2 CYS 51 -5.475 0.538 3.326 358 HB3 CYS 51 HB1 CYS 51 -3.888 1.300 3.426 359 H ARG 52 HN ARG 52 -2.895 -0.075 5.832 360 HA ARG 52 HA ARG 52 -5.207 -0.980 7.400 361 HB2 ARG 52 HB2 ARG 52 -4.048 -2.816 8.020 362 HB3 ARG 52 HB1 ARG 52 -2.515 -2.173 7.436 363 HG2 ARG 52 HG2 ARG 52 -2.242 -0.856 9.460 364 HG3 ARG 52 HG1 ARG 52 -3.848 -1.320 10.018 365 HD2 ARG 52 HD2 ARG 52 -3.093 -3.698 10.048 366 HD3 ARG 52 HD1 ARG 52 -1.474 -3.146 9.619 367 HE ARG 52 HE ARG 52 -2.753 -2.894 12.209 368 HH11 ARG 52 HH11 ARG 52 -0.333 -1.751 10.024 369 HH12 ARG 52 HH12 ARG 52 0.678 -1.091 11.266 370 HH21 ARG 52 HH21 ARG 52 -1.437 -2.027 13.850 371 HH22 ARG 52 HH22 ARG 52 0.053 -1.246 13.433 372 H ARG 53 HN ARG 53 -5.368 0.022 9.464 373 HA ARG 53 HA ARG 53 -4.177 2.692 9.499 374 HB2 ARG 53 HB2 ARG 53 -6.593 2.417 9.933 375 HB3 ARG 53 HB1 ARG 53 -6.201 1.462 11.356 376 HG2 ARG 53 HG2 ARG 53 -5.116 3.337 12.411 377 HG3 ARG 53 HG1 ARG 53 -5.247 4.300 10.936 378 HD2 ARG 53 HD2 ARG 53 -7.705 4.195 11.111 379 HD3 ARG 53 HD1 ARG 53 -7.561 3.256 12.594 380 HE ARG 53 HE ARG 53 -7.106 6.111 12.291 381 HH11 ARG 53 HH11 ARG 53 -6.619 3.240 14.166 382 HH12 ARG 53 HH12 ARG 53 -6.334 4.094 15.646 383 HH21 ARG 53 HH21 ARG 53 -6.726 7.231 14.221 384 HH22 ARG 53 HH22 ARG 53 -6.395 6.354 15.677 385 H VAL 54 HN VAL 54 -3.221 3.564 11.370 386 HA VAL 54 HA VAL 54 -2.366 1.935 13.535 387 HB VAL 54 HB VAL 54 -1.000 1.091 11.607 388 HG11 VAL 54 HG11 VAL 54 -0.721 3.792 11.016 389 HG12 VAL 54 HG12 VAL 54 0.829 3.386 11.751 390 HG13 VAL 54 HG13 VAL 54 0.250 2.489 10.347 391 HG21 VAL 54 HG21 VAL 54 0.630 2.422 13.790 392 HG22 VAL 54 HG22 VAL 54 -0.313 0.951 14.041 393 HG23 VAL 54 HG23 VAL 54 1.031 0.950 12.901 394 H CYS 55 HN CYS 55 -2.375 4.792 11.779 395 HA CYS 55 HA CYS 55 -2.351 6.580 13.872 396 HB2 CYS 55 HB2 CYS 55 -0.231 6.521 14.655 397 HB3 CYS 55 HB1 CYS 55 0.327 5.559 13.294 398 H ARG 56 HN ARG 56 -1.817 5.766 10.663 399 HA ARG 56 HA ARG 56 -2.915 8.161 9.617 400 HB2 ARG 56 HB2 ARG 56 -0.266 8.422 10.393 401 HB3 ARG 56 HB1 ARG 56 -0.169 8.044 8.683 402 HG2 ARG 56 HG2 ARG 56 -0.357 10.419 8.722 403 HG3 ARG 56 HG1 ARG 56 -1.998 9.877 8.384 404 HD2 ARG 56 HD2 ARG 56 -2.630 10.166 10.708 405 HD3 ARG 56 HD1 ARG 56 -0.964 10.497 11.171 406 HE ARG 56 HE ARG 56 -1.689 12.406 9.255 407 HH11 ARG 56 HH11 ARG 56 -2.594 11.362 12.430 408 HH12 ARG 56 HH12 ARG 56 -3.154 12.921 12.937 409 HH21 ARG 56 HH21 ARG 56 -2.455 14.458 9.913 410 HH22 ARG 56 HH22 ARG 56 -3.077 14.666 11.517 411 H ASN 57 HN ASN 57 -3.013 5.305 9.273 412 HA ASN 57 HA ASN 57 -3.454 3.875 7.538 413 HB2 ASN 57 HB2 ASN 57 -3.842 6.210 6.361 414 HB3 ASN 57 HB1 ASN 57 -2.351 5.782 5.548 415 HD21 ASN 57 HD21 ASN 57 -3.175 5.231 3.510 416 HD22 ASN 57 HD22 ASN 57 -4.273 3.964 3.246 417 H THR 58 HN THR 58 -2.246 2.274 6.980 418 HA THR 58 HA THR 58 0.650 2.590 6.616 419 HB THR 58 HB THR 58 -0.234 -0.130 7.123 420 HG1 THR 58 HG1 THR 58 -1.656 0.625 8.565 421 HG21 THR 58 HG21 THR 58 1.690 -0.175 8.533 422 HG22 THR 58 HG22 THR 58 2.109 0.767 7.099 423 HG23 THR 58 HG23 THR 58 1.743 1.583 8.623 424 H CYS 59 HN CYS 59 1.645 1.011 5.219 425 HA CYS 59 HA CYS 59 -0.117 0.304 2.958 426 HB2 CYS 59 HB2 CYS 59 1.823 2.006 2.792 427 HB3 CYS 59 HB1 CYS 59 2.867 0.613 2.842 428 H SER 60 HN SER 60 -0.170 -1.710 2.237 429 HA SER 60 HA SER 60 1.901 -3.616 2.923 430 HB2 SER 60 HB2 SER 60 -0.959 -4.128 3.757 431 HB3 SER 60 HB1 SER 60 0.400 -5.240 3.920 432 HG SER 60 HG SER 60 1.382 -3.646 5.272 433 H CYS 61 HN CYS 61 2.330 -4.260 0.914 434 HA CYS 61 HA CYS 61 0.078 -5.257 -0.703 435 HB2 CYS 61 HB2 CYS 61 2.556 -3.857 -1.741 436 HB3 CYS 61 HB1 CYS 61 1.314 -4.581 -2.745 437 H ILE 62 HN ILE 62 0.236 -7.333 -1.148 438 HA ILE 62 HA ILE 62 2.818 -8.672 -1.360 439 HB ILE 62 HB ILE 62 1.855 -10.407 0.415 440 HG12 ILE 62 HG12 ILE 62 0.793 -9.249 2.289 441 HG13 ILE 62 HG11 ILE 62 0.793 -7.740 1.380 442 HG21 ILE 62 HG21 ILE 62 3.158 -7.855 1.402 443 HG22 ILE 62 HG22 ILE 62 3.346 -9.485 2.047 444 HG23 ILE 62 HG23 ILE 62 4.051 -9.076 0.486 445 HD11 ILE 62 HD11 ILE 62 -1.380 -9.098 1.366 446 HD12 ILE 62 HD12 ILE 62 -0.770 -8.577 -0.203 447 HD13 ILE 62 HD13 ILE 62 -0.526 -10.238 0.332 448 H ARG 63 HN ARG 63 2.473 -11.139 -1.690 449 HA ARG 63 HA ARG 63 0.287 -11.465 -3.614 450 HB2 ARG 63 HB2 ARG 63 2.818 -13.026 -3.080 451 HB3 ARG 63 HB1 ARG 63 1.538 -13.639 -4.125 452 HG2 ARG 63 HG2 ARG 63 1.721 -11.493 -5.453 453 HG3 ARG 63 HG1 ARG 63 3.146 -11.105 -4.494 454 HD2 ARG 63 HD2 ARG 63 2.858 -13.672 -6.058 455 HD3 ARG 63 HD1 ARG 63 3.638 -12.228 -6.699 456 HE ARG 63 HE ARG 63 4.687 -13.996 -4.637 457 HH11 ARG 63 HH11 ARG 63 4.778 -10.919 -6.217 458 HH12 ARG 63 HH12 ARG 63 6.411 -10.574 -5.755 459 HH21 ARG 63 HH21 ARG 63 6.833 -13.551 -4.028 460 HH22 ARG 63 HH22 ARG 63 7.575 -12.065 -4.517 461 H LEU 64 HN LEU 64 0.202 -11.537 -0.596 462 HA LEU 64 HA LEU 64 -1.000 -12.666 1.025 463 HB2 LEU 64 HB2 LEU 64 -2.056 -14.209 -1.344 464 HB3 LEU 64 HB1 LEU 64 -2.724 -14.258 0.283 465 HG LEU 64 HG LEU 64 -2.466 -11.733 -1.382 466 HD11 LEU 64 HD11 LEU 64 -5.174 -12.388 -0.986 467 HD12 LEU 64 HD12 LEU 64 -4.280 -12.453 -2.505 468 HD13 LEU 64 HD13 LEU 64 -4.399 -13.889 -1.489 469 HD21 LEU 64 HD21 LEU 64 -2.699 -10.915 0.761 470 HD22 LEU 64 HD22 LEU 64 -4.398 -11.219 0.421 471 HD23 LEU 64 HD23 LEU 64 -3.464 -12.381 1.359 472 H SER 65 HN SER 65 -1.740 -15.354 1.187 473 HA SER 65 HA SER 65 -0.939 -17.449 1.698 474 HB2 SER 65 HB2 SER 65 0.243 -17.028 -0.636 475 HB3 SER 65 HB1 SER 65 1.683 -16.896 0.370 476 HG SER 65 HG SER 65 1.482 -19.031 -0.091 477 H ARG 66 HN ARG 66 -0.020 -14.658 2.858 478 HA ARG 66 HA ARG 66 1.875 -15.839 4.798 479 HB2 ARG 66 HB2 ARG 66 1.953 -13.015 3.716 480 HB3 ARG 66 HB1 ARG 66 3.047 -13.703 4.918 481 HG2 ARG 66 HG2 ARG 66 3.610 -15.484 3.196 482 HG3 ARG 66 HG1 ARG 66 2.750 -14.501 2.020 483 HD2 ARG 66 HD2 ARG 66 4.230 -12.581 2.557 484 HD3 ARG 66 HD1 ARG 66 5.129 -13.607 3.671 485 HE ARG 66 HE ARG 66 5.035 -14.811 1.097 486 HH11 ARG 66 HH11 ARG 66 6.449 -12.210 2.889 487 HH12 ARG 66 HH12 ARG 66 7.884 -12.139 1.922 488 HH21 ARG 66 HH21 ARG 66 6.913 -14.719 -0.181 489 HH22 ARG 66 HH22 ARG 66 8.146 -13.559 0.184 490 H SER 67 HN SER 67 2.008 -14.433 6.824 491 HA SER 67 HA SER 67 -0.514 -14.339 8.055 492 HB2 SER 67 HB2 SER 67 2.097 -13.047 8.845 493 HB3 SER 67 HB1 SER 67 0.674 -13.111 9.882 494 HG SER 67 HG SER 67 0.868 -15.273 10.029 495 H THR 68 HN THR 68 1.461 -11.819 6.620 496 HA THR 68 HA THR 68 1.047 -9.554 6.318 497 HB THR 68 HB THR 68 -1.678 -10.501 5.475 498 HG1 THR 68 HG1 THR 68 0.792 -11.285 4.596 499 HG21 THR 68 HG21 THR 68 -1.221 -8.107 5.301 500 HG22 THR 68 HG22 THR 68 0.268 -8.436 4.417 501 HG23 THR 68 HG23 THR 68 -1.291 -8.821 3.689 502 H TYR 69 HN TYR 69 1.025 -9.230 8.684 503 HA TYR 69 HA TYR 69 -1.175 -9.198 10.347 504 HB2 TYR 69 HB2 TYR 69 -0.005 -7.567 11.684 505 HB3 TYR 69 HB1 TYR 69 1.193 -8.665 10.999 506 HD1 TYR 69 HD1 TYR 69 -0.034 -5.215 11.088 507 HD2 TYR 69 HD2 TYR 69 2.525 -7.978 9.007 508 HE1 TYR 69 HE1 TYR 69 1.127 -3.324 9.987 509 HE2 TYR 69 HE2 TYR 69 3.683 -6.079 7.916 510 HH TYR 69 HH TYR 69 2.913 -2.725 8.758 511 H ALA 70 HN ALA 70 -0.536 -7.210 7.613 512 HA ALA 70 HA ALA 70 -2.057 -4.928 8.250 513 HB1 ALA 70 HB1 ALA 70 -0.512 -5.585 6.158 514 HB2 ALA 70 HB2 ALA 70 -2.092 -5.919 5.449 515 HB3 ALA 70 HB3 ALA 70 -1.728 -4.310 6.071 516 H SER 71 HN SER 71 -2.957 -8.051 6.856 517 HA SER 71 HA SER 71 -5.725 -7.592 7.639 518 HB2 SER 71 HB2 SER 71 -5.277 -6.739 5.208 519 HB3 SER 71 HB1 SER 71 -5.252 -8.452 4.804 520 HG SER 71 HG SER 71 -7.310 -8.253 6.298 Start of MODEL 20 1 H LEU 1 HN LEU 1 -13.563 4.793 -1.823 2 HA LEU 1 HA LEU 1 -12.457 6.226 -3.602 3 HB2 LEU 1 HB2 LEU 1 -10.349 6.394 -1.432 4 HB3 LEU 1 HB1 LEU 1 -10.254 7.107 -3.041 5 HG LEU 1 HG LEU 1 -12.324 7.803 -0.937 6 HD11 LEU 1 HD11 LEU 1 -11.126 9.978 -0.869 7 HD12 LEU 1 HD12 LEU 1 -10.093 8.643 -0.358 8 HD13 LEU 1 HD13 LEU 1 -9.914 9.327 -1.973 9 HD21 LEU 1 HD21 LEU 1 -13.405 8.269 -2.947 10 HD22 LEU 1 HD22 LEU 1 -12.543 9.784 -2.683 11 HD23 LEU 1 HD23 LEU 1 -11.896 8.587 -3.803 12 H ARG 2 HN ARG 2 -9.543 5.551 -3.537 13 HA ARG 2 HA ARG 2 -9.739 2.617 -3.856 14 HB2 ARG 2 HB2 ARG 2 -8.191 4.578 -5.563 15 HB3 ARG 2 HB1 ARG 2 -8.166 2.827 -5.750 16 HG2 ARG 2 HG2 ARG 2 -10.768 4.351 -5.851 17 HG3 ARG 2 HG1 ARG 2 -9.752 4.210 -7.284 18 HD2 ARG 2 HD2 ARG 2 -9.797 1.722 -7.015 19 HD3 ARG 2 HD1 ARG 2 -10.922 1.918 -5.677 20 HE ARG 2 HE ARG 2 -12.605 2.436 -7.209 21 HH11 ARG 2 HH11 ARG 2 -9.480 2.377 -8.696 22 HH12 ARG 2 HH12 ARG 2 -10.096 2.440 -10.314 23 HH21 ARG 2 HH21 ARG 2 -13.421 2.511 -9.329 24 HH22 ARG 2 HH22 ARG 2 -12.327 2.516 -10.671 25 H VAL 3 HN VAL 3 -8.182 1.438 -2.913 26 HA VAL 3 HA VAL 3 -5.543 2.324 -2.388 27 HB VAL 3 HB VAL 3 -6.761 3.721 -0.701 28 HG11 VAL 3 HG11 VAL 3 -7.287 1.442 1.066 29 HG12 VAL 3 HG12 VAL 3 -8.293 2.845 0.710 30 HG13 VAL 3 HG13 VAL 3 -8.302 1.456 -0.376 31 HG21 VAL 3 HG21 VAL 3 -4.443 2.218 -0.346 32 HG22 VAL 3 HG22 VAL 3 -4.989 3.530 0.700 33 HG23 VAL 3 HG23 VAL 3 -5.388 1.861 1.098 34 H ARG 4 HN ARG 4 -6.718 0.035 -3.538 35 HA ARG 4 HA ARG 4 -5.421 -2.031 -2.033 36 HB2 ARG 4 HB2 ARG 4 -7.876 -1.618 -1.073 37 HB3 ARG 4 HB1 ARG 4 -8.309 -2.642 -2.439 38 HG2 ARG 4 HG2 ARG 4 -6.738 -4.377 -1.653 39 HG3 ARG 4 HG1 ARG 4 -6.254 -3.339 -0.317 40 HD2 ARG 4 HD2 ARG 4 -9.077 -4.331 -0.770 41 HD3 ARG 4 HD1 ARG 4 -7.932 -5.056 0.354 42 HE ARG 4 HE ARG 4 -8.093 -2.329 0.969 43 HH11 ARG 4 HH11 ARG 4 -10.088 -5.155 0.898 44 HH12 ARG 4 HH12 ARG 4 -11.114 -4.633 2.191 45 HH21 ARG 4 HH21 ARG 4 -9.438 -1.635 2.666 46 HH22 ARG 4 HH22 ARG 4 -10.747 -2.641 3.193 47 H ARG 5 HN ARG 5 -7.271 -3.999 -3.254 48 HA ARG 5 HA ARG 5 -7.407 -5.286 -5.119 49 HB2 ARG 5 HB2 ARG 5 -7.147 -2.641 -6.521 50 HB3 ARG 5 HB1 ARG 5 -7.668 -4.143 -7.277 51 HG2 ARG 5 HG2 ARG 5 -9.485 -4.231 -5.462 52 HG3 ARG 5 HG1 ARG 5 -9.074 -2.550 -5.129 53 HD2 ARG 5 HD2 ARG 5 -9.940 -3.639 -7.825 54 HD3 ARG 5 HD1 ARG 5 -10.964 -2.727 -6.720 55 HE ARG 5 HE ARG 5 -8.754 -1.125 -7.152 56 HH11 ARG 5 HH11 ARG 5 -11.187 -2.678 -9.065 57 HH12 ARG 5 HH12 ARG 5 -11.177 -1.471 -10.307 58 HH21 ARG 5 HH21 ARG 5 -8.738 0.463 -8.781 59 HH22 ARG 5 HH22 ARG 5 -9.792 0.306 -10.146 60 H THR 6 HN THR 6 -5.938 -4.156 -7.630 61 HA THR 6 HA THR 6 -3.213 -5.037 -6.868 62 HB THR 6 HB THR 6 -3.116 -6.255 -9.022 63 HG1 THR 6 HG1 THR 6 -5.649 -5.123 -9.198 64 HG21 THR 6 HG21 THR 6 -3.924 -8.112 -8.001 65 HG22 THR 6 HG22 THR 6 -4.379 -7.040 -6.676 66 HG23 THR 6 HG23 THR 6 -5.555 -7.447 -7.926 67 H LEU 7 HN LEU 7 -4.772 -4.071 -9.865 68 HA LEU 7 HA LEU 7 -3.683 -2.878 -11.603 69 HB2 LEU 7 HB2 LEU 7 -4.285 -0.413 -11.011 70 HB3 LEU 7 HB1 LEU 7 -5.528 -1.620 -11.297 71 HG LEU 7 HG LEU 7 -4.604 -1.491 -8.486 72 HD11 LEU 7 HD11 LEU 7 -5.779 0.899 -9.826 73 HD12 LEU 7 HD12 LEU 7 -6.063 0.577 -8.124 74 HD13 LEU 7 HD13 LEU 7 -4.417 0.790 -8.706 75 HD21 LEU 7 HD21 LEU 7 -7.234 -1.634 -9.969 76 HD22 LEU 7 HD22 LEU 7 -6.554 -2.760 -8.791 77 HD23 LEU 7 HD23 LEU 7 -7.187 -1.208 -8.274 78 H GLN 8 HN GLN 8 -3.094 -0.260 -9.385 79 HA GLN 8 HA GLN 8 -0.184 -0.618 -9.713 80 HB2 GLN 8 HB2 GLN 8 -1.580 1.304 -11.112 81 HB3 GLN 8 HB1 GLN 8 -1.104 2.170 -9.647 82 HG2 GLN 8 HG2 GLN 8 0.702 2.468 -11.166 83 HG3 GLN 8 HG1 GLN 8 1.238 1.248 -10.011 84 HE21 GLN 8 HE21 GLN 8 2.718 0.322 -11.627 85 HE22 GLN 8 HE22 GLN 8 2.117 -0.611 -12.913 86 H CYS 9 HN CYS 9 0.910 -0.334 -7.945 87 HA CYS 9 HA CYS 9 -0.503 0.750 -5.611 88 HB2 CYS 9 HB2 CYS 9 -0.435 -1.465 -5.154 89 HB3 CYS 9 HB1 CYS 9 1.025 -1.721 -6.068 90 H SER 10 HN SER 10 0.353 2.343 -4.577 91 HA SER 10 HA SER 10 3.258 2.752 -4.599 92 HB2 SER 10 HB2 SER 10 2.985 5.121 -5.133 93 HB3 SER 10 HB1 SER 10 2.306 4.136 -6.427 94 HG SER 10 HG SER 10 0.388 4.870 -5.958 95 H CYS 11 HN CYS 11 3.992 4.018 -2.832 96 HA CYS 11 HA CYS 11 2.004 4.617 -0.747 97 HB2 CYS 11 HB2 CYS 11 4.610 3.301 -0.050 98 HB3 CYS 11 HB1 CYS 11 3.113 3.351 0.876 99 H ARG 12 HN ARG 12 2.886 6.113 0.908 100 HA ARG 12 HA ARG 12 5.375 7.519 0.157 101 HB2 ARG 12 HB2 ARG 12 4.315 9.694 0.054 102 HB3 ARG 12 HB1 ARG 12 3.503 8.629 -1.095 103 HG2 ARG 12 HG2 ARG 12 1.793 8.139 0.706 104 HG3 ARG 12 HG1 ARG 12 2.535 9.414 1.670 105 HD2 ARG 12 HD2 ARG 12 2.103 11.030 -0.150 106 HD3 ARG 12 HD1 ARG 12 1.319 9.756 -1.082 107 HE ARG 12 HE ARG 12 0.215 11.150 1.208 108 HH11 ARG 12 HH11 ARG 12 0.186 8.308 -0.761 109 HH12 ARG 12 HH12 ARG 12 -1.448 7.886 -0.373 110 HH21 ARG 12 HH21 ARG 12 -1.935 10.613 1.713 111 HH22 ARG 12 HH22 ARG 12 -2.649 9.192 1.027 112 H ARG 13 HN ARG 13 6.361 8.599 1.880 113 HA ARG 13 HA ARG 13 5.874 7.675 4.473 114 HB2 ARG 13 HB2 ARG 13 8.018 8.574 3.823 115 HB3 ARG 13 HB1 ARG 13 7.298 10.173 3.686 116 HG2 ARG 13 HG2 ARG 13 6.925 10.352 6.005 117 HG3 ARG 13 HG1 ARG 13 7.068 8.609 6.245 118 HD2 ARG 13 HD2 ARG 13 9.428 8.674 5.796 119 HD3 ARG 13 HD1 ARG 13 9.355 10.374 5.344 120 HE ARG 13 HE ARG 13 9.276 9.278 8.054 121 HH11 ARG 13 HH11 ARG 13 8.827 11.977 5.926 122 HH12 ARG 13 HH12 ARG 13 9.013 13.164 7.172 123 HH21 ARG 13 HH21 ARG 13 9.549 10.838 9.685 124 HH22 ARG 13 HH22 ARG 13 9.421 12.521 9.296 125 H VAL 14 HN VAL 14 5.055 8.537 6.270 126 HA VAL 14 HA VAL 14 3.881 11.026 6.714 127 HB VAL 14 HB VAL 14 2.331 10.519 4.969 128 HG11 VAL 14 HG11 VAL 14 2.233 7.840 6.323 129 HG12 VAL 14 HG12 VAL 14 0.885 8.394 5.344 130 HG13 VAL 14 HG13 VAL 14 2.474 8.226 4.633 131 HG21 VAL 14 HG21 VAL 14 0.575 9.714 7.189 132 HG22 VAL 14 HG22 VAL 14 1.543 11.153 7.503 133 HG23 VAL 14 HG23 VAL 14 0.459 11.104 6.111 134 H CYS 15 HN CYS 15 5.170 10.014 8.603 135 HA CYS 15 HA CYS 15 5.095 9.352 10.799 136 HB2 CYS 15 HB2 CYS 15 3.195 9.977 11.822 137 HB3 CYS 15 HB1 CYS 15 2.334 9.983 10.292 138 H ARG 16 HN ARG 16 4.117 7.483 8.234 139 HA ARG 16 HA ARG 16 5.278 5.113 9.049 140 HB2 ARG 16 HB2 ARG 16 2.689 5.597 10.279 141 HB3 ARG 16 HB1 ARG 16 2.639 4.179 9.245 142 HG2 ARG 16 HG2 ARG 16 3.938 2.956 10.670 143 HG3 ARG 16 HG1 ARG 16 5.040 4.291 10.977 144 HD2 ARG 16 HD2 ARG 16 3.721 5.169 12.694 145 HD3 ARG 16 HD1 ARG 16 2.276 4.334 12.156 146 HE ARG 16 HE ARG 16 4.247 2.435 12.883 147 HH11 ARG 16 HH11 ARG 16 2.087 4.796 14.192 148 HH12 ARG 16 HH12 ARG 16 1.924 4.002 15.724 149 HH21 ARG 16 HH21 ARG 16 4.060 1.394 14.897 150 HH22 ARG 16 HH22 ARG 16 3.044 2.074 16.124 151 H ASN 17 HN ASN 17 4.431 6.832 6.827 152 HA ASN 17 HA ASN 17 4.068 6.495 4.607 153 HB2 ASN 17 HB2 ASN 17 5.248 4.234 5.356 154 HB3 ASN 17 HB1 ASN 17 3.685 3.602 4.877 155 HD21 ASN 17 HD21 ASN 17 6.276 3.224 3.457 156 HD22 ASN 17 HD22 ASN 17 6.057 3.875 1.905 157 H THR 18 HN THR 18 2.467 6.278 3.204 158 HA THR 18 HA THR 18 -0.200 5.544 4.209 159 HB THR 18 HB THR 18 -0.479 7.145 1.890 160 HG1 THR 18 HG1 THR 18 1.719 7.805 2.694 161 HG21 THR 18 HG21 THR 18 -2.198 7.163 3.485 162 HG22 THR 18 HG22 THR 18 -1.109 7.555 4.806 163 HG23 THR 18 HG23 THR 18 -1.493 8.774 3.598 164 H CYS 19 HN CYS 19 -1.676 4.793 2.582 165 HA CYS 19 HA CYS 19 -0.321 3.196 0.493 166 HB2 CYS 19 HB2 CYS 19 -1.555 2.130 2.488 167 HB3 CYS 19 HB1 CYS 19 -3.022 2.674 1.701 168 H SER 20 HN SER 20 -0.901 3.461 -1.560 169 HA SER 20 HA SER 20 -3.539 4.501 -2.202 170 HB2 SER 20 HB2 SER 20 -1.023 5.906 -3.125 171 HB3 SER 20 HB1 SER 20 -2.662 6.266 -3.665 172 HG SER 20 HG SER 20 -2.109 7.652 -1.987 173 H CYS 21 HN CYS 21 -4.216 2.931 -3.508 174 HA CYS 21 HA CYS 21 -2.408 2.111 -5.680 175 HB2 CYS 21 HB2 CYS 21 -4.503 0.408 -4.310 176 HB3 CYS 21 HB1 CYS 21 -3.579 -0.081 -5.722 177 H ILE 22 HN ILE 22 -3.058 2.676 -7.612 178 HA ILE 22 HA ILE 22 -5.890 2.876 -8.302 179 HB ILE 22 HB ILE 22 -5.270 5.297 -9.218 180 HG12 ILE 22 HG12 ILE 22 -3.883 6.522 -7.587 181 HG13 ILE 22 HG11 ILE 22 -3.558 5.018 -6.725 182 HG21 ILE 22 HG21 ILE 22 -5.968 4.887 -6.300 183 HG22 ILE 22 HG22 ILE 22 -6.404 6.256 -7.319 184 HG23 ILE 22 HG23 ILE 22 -7.119 4.674 -7.621 185 HD11 ILE 22 HD11 ILE 22 -1.835 5.871 -8.506 186 HD12 ILE 22 HD12 ILE 22 -2.249 4.156 -8.466 187 HD13 ILE 22 HD13 ILE 22 -2.991 5.214 -9.662 188 H ARG 23 HN ARG 23 -6.183 3.507 -10.631 189 HA ARG 23 HA ARG 23 -4.233 2.077 -12.226 190 HB2 ARG 23 HB2 ARG 23 -6.818 3.459 -12.982 191 HB3 ARG 23 HB1 ARG 23 -5.817 2.535 -14.102 192 HG2 ARG 23 HG2 ARG 23 -6.056 0.545 -12.618 193 HG3 ARG 23 HG1 ARG 23 -7.140 1.481 -11.590 194 HD2 ARG 23 HD2 ARG 23 -8.665 1.817 -13.502 195 HD3 ARG 23 HD1 ARG 23 -7.594 0.855 -14.518 196 HE ARG 23 HE ARG 23 -8.273 -0.658 -12.236 197 HH11 ARG 23 HH11 ARG 23 -9.676 0.681 -15.104 198 HH12 ARG 23 HH12 ARG 23 -10.890 -0.546 -15.245 199 HH21 ARG 23 HH21 ARG 23 -9.859 -2.264 -12.415 200 HH22 ARG 23 HH22 ARG 23 -10.994 -2.214 -13.723 201 H LEU 24 HN LEU 24 -4.265 5.083 -11.050 202 HA LEU 24 HA LEU 24 -3.322 6.426 -13.489 203 HB2 LEU 24 HB2 LEU 24 -3.757 7.558 -10.717 204 HB3 LEU 24 HB1 LEU 24 -3.439 8.478 -12.187 205 HG LEU 24 HG LEU 24 -5.852 6.701 -11.711 206 HD11 LEU 24 HD11 LEU 24 -5.391 9.677 -11.580 207 HD12 LEU 24 HD12 LEU 24 -6.989 9.024 -11.942 208 HD13 LEU 24 HD13 LEU 24 -6.204 8.635 -10.411 209 HD21 LEU 24 HD21 LEU 24 -6.548 8.129 -13.841 210 HD22 LEU 24 HD22 LEU 24 -4.802 8.215 -14.078 211 HD23 LEU 24 HD23 LEU 24 -5.608 6.648 -14.022 212 H SER 25 HN SER 25 -1.351 7.759 -13.368 213 HA SER 25 HA SER 25 0.774 6.265 -12.012 214 HB2 SER 25 HB2 SER 25 0.883 8.404 -14.148 215 HB3 SER 25 HB1 SER 25 2.291 7.597 -13.463 216 HG SER 25 HG SER 25 1.199 6.740 -15.490 217 H ARG 26 HN ARG 26 -1.158 8.866 -11.347 218 HA ARG 26 HA ARG 26 0.733 10.727 -10.299 219 HB2 ARG 26 HB2 ARG 26 -2.233 10.348 -9.986 220 HB3 ARG 26 HB1 ARG 26 -1.364 11.556 -9.037 221 HG2 ARG 26 HG2 ARG 26 -0.866 11.458 -11.976 222 HG3 ARG 26 HG1 ARG 26 -2.385 12.155 -11.420 223 HD2 ARG 26 HD2 ARG 26 0.375 13.008 -10.492 224 HD3 ARG 26 HD1 ARG 26 -0.615 13.874 -11.661 225 HE ARG 26 HE ARG 26 -1.002 13.797 -8.784 226 HH11 ARG 26 HH11 ARG 26 -2.357 14.396 -11.912 227 HH12 ARG 26 HH12 ARG 26 -3.605 15.442 -11.323 228 HH21 ARG 26 HH21 ARG 26 -2.637 15.169 -8.005 229 HH22 ARG 26 HH22 ARG 26 -3.764 15.879 -9.112 230 H SER 27 HN SER 27 1.252 11.177 -8.172 231 HA SER 27 HA SER 27 1.703 8.914 -6.510 232 HB2 SER 27 HB2 SER 27 2.659 10.479 -4.933 233 HB3 SER 27 HB1 SER 27 3.151 10.949 -6.558 234 HG SER 27 HG SER 27 1.654 12.288 -4.732 235 H THR 28 HN THR 28 -0.912 11.112 -6.822 236 HA THR 28 HA THR 28 -2.925 11.306 -5.731 237 HB THR 28 HB THR 28 -2.325 8.693 -4.367 238 HG1 THR 28 HG1 THR 28 -2.145 9.130 -6.938 239 HG21 THR 28 HG21 THR 28 -4.448 10.159 -4.024 240 HG22 THR 28 HG22 THR 28 -4.899 9.601 -5.635 241 HG23 THR 28 HG23 THR 28 -4.660 8.436 -4.334 242 H TYR 29 HN TYR 29 -1.099 12.829 -4.574 243 HA TYR 29 HA TYR 29 -1.227 12.274 -1.676 244 HB2 TYR 29 HB2 TYR 29 1.037 12.577 -2.349 245 HB3 TYR 29 HB1 TYR 29 0.633 13.999 -3.310 246 HD1 TYR 29 HD1 TYR 29 0.344 12.731 0.220 247 HD2 TYR 29 HD2 TYR 29 0.941 16.113 -2.364 248 HE1 TYR 29 HE1 TYR 29 0.728 14.174 2.196 249 HE2 TYR 29 HE2 TYR 29 1.318 17.555 -0.385 250 HH TYR 29 HH TYR 29 1.349 16.194 2.904 251 H ALA 30 HN ALA 30 -2.490 13.464 -0.427 252 HA ALA 30 HA ALA 30 -4.251 15.407 -1.485 253 HB1 ALA 30 HB1 ALA 30 -3.895 14.018 0.982 254 HB2 ALA 30 HB2 ALA 30 -4.029 15.741 1.333 255 HB3 ALA 30 HB3 ALA 30 -5.304 14.923 0.430 256 H SER 31 HN SER 31 -4.247 17.620 -1.400 257 HA SER 31 HA SER 31 -1.645 18.875 -0.997 258 HB2 SER 31 HB2 SER 31 -2.559 20.762 -2.133 259 HB3 SER 31 HB1 SER 31 -3.148 19.340 -2.990 260 HG SER 31 HG SER 31 -5.107 19.828 -2.401 261 H LEU 41 HN LEU 41 6.190 -3.765 5.772 262 HA LEU 41 HA LEU 41 8.348 -2.477 4.439 263 HB2 LEU 41 HB2 LEU 41 9.050 -4.186 6.659 264 HB3 LEU 41 HB1 LEU 41 9.647 -4.886 5.158 265 HG LEU 41 HG LEU 41 11.300 -3.346 6.176 266 HD11 LEU 41 HD11 LEU 41 10.385 -3.373 3.509 267 HD12 LEU 41 HD12 LEU 41 10.673 -1.678 3.900 268 HD13 LEU 41 HD13 LEU 41 11.970 -2.859 4.085 269 HD21 LEU 41 HD21 LEU 41 10.737 -1.298 6.954 270 HD22 LEU 41 HD22 LEU 41 9.861 -0.897 5.477 271 HD23 LEU 41 HD23 LEU 41 9.058 -1.804 6.759 272 H ARG 42 HN ARG 42 5.742 -4.056 4.211 273 HA ARG 42 HA ARG 42 6.603 -6.131 2.310 274 HB2 ARG 42 HB2 ARG 42 4.185 -5.697 3.994 275 HB3 ARG 42 HB1 ARG 42 3.953 -6.509 2.449 276 HG2 ARG 42 HG2 ARG 42 4.392 -8.154 4.218 277 HG3 ARG 42 HG1 ARG 42 5.715 -8.145 3.053 278 HD2 ARG 42 HD2 ARG 42 7.112 -6.861 4.509 279 HD3 ARG 42 HD1 ARG 42 5.768 -6.498 5.588 280 HE ARG 42 HE ARG 42 6.037 -9.281 5.509 281 HH11 ARG 42 HH11 ARG 42 7.839 -6.480 6.445 282 HH12 ARG 42 HH12 ARG 42 8.714 -7.292 7.700 283 HH21 ARG 42 HH21 ARG 42 7.179 -10.353 7.155 284 HH22 ARG 42 HH22 ARG 42 8.340 -9.486 8.102 285 H VAL 43 HN VAL 43 6.558 -3.163 1.876 286 HA VAL 43 HA VAL 43 4.456 -2.785 -0.087 287 HB VAL 43 HB VAL 43 6.705 -1.037 0.929 288 HG11 VAL 43 HG11 VAL 43 5.537 0.762 -0.440 289 HG12 VAL 43 HG12 VAL 43 6.451 -0.414 -1.381 290 HG13 VAL 43 HG13 VAL 43 4.695 -0.539 -1.283 291 HG21 VAL 43 HG21 VAL 43 4.738 0.322 1.708 292 HG22 VAL 43 HG22 VAL 43 3.683 -0.972 1.145 293 HG23 VAL 43 HG23 VAL 43 4.830 -1.277 2.449 294 H ARG 44 HN ARG 44 4.706 -3.913 -1.908 295 HA ARG 44 HA ARG 44 7.329 -3.867 -3.269 296 HB2 ARG 44 HB2 ARG 44 5.070 -5.823 -3.566 297 HB3 ARG 44 HB1 ARG 44 6.606 -5.897 -4.419 298 HG2 ARG 44 HG2 ARG 44 7.759 -6.040 -2.198 299 HG3 ARG 44 HG1 ARG 44 6.171 -6.154 -1.434 300 HD2 ARG 44 HD2 ARG 44 6.991 -8.406 -1.755 301 HD3 ARG 44 HD1 ARG 44 5.687 -8.137 -2.907 302 HE ARG 44 HE ARG 44 7.242 -8.279 -4.636 303 HH11 ARG 44 HH11 ARG 44 8.781 -7.976 -1.556 304 HH12 ARG 44 HH12 ARG 44 10.371 -8.291 -2.163 305 HH21 ARG 44 HH21 ARG 44 9.326 -8.679 -5.447 306 HH22 ARG 44 HH22 ARG 44 10.681 -8.689 -4.368 307 H ARG 45 HN ARG 45 5.820 -4.980 -5.626 308 HA ARG 45 HA ARG 45 5.303 -2.420 -6.862 309 HB2 ARG 45 HB2 ARG 45 5.194 -5.141 -8.148 310 HB3 ARG 45 HB1 ARG 45 5.346 -3.583 -8.947 311 HG2 ARG 45 HG2 ARG 45 7.500 -3.213 -7.768 312 HG3 ARG 45 HG1 ARG 45 7.358 -4.814 -7.044 313 HD2 ARG 45 HD2 ARG 45 7.254 -5.782 -9.360 314 HD3 ARG 45 HD1 ARG 45 7.578 -4.174 -10.000 315 HE ARG 45 HE ARG 45 9.573 -4.789 -8.114 316 HH11 ARG 45 HH11 ARG 45 8.396 -5.787 -11.210 317 HH12 ARG 45 HH12 ARG 45 9.938 -6.341 -11.772 318 HH21 ARG 45 HH21 ARG 45 11.596 -5.531 -8.837 319 HH22 ARG 45 HH22 ARG 45 11.749 -6.198 -10.429 320 H THR 46 HN THR 46 3.542 -4.234 -8.721 321 HA THR 46 HA THR 46 1.019 -3.119 -7.867 322 HB THR 46 HB THR 46 0.210 -4.146 -9.985 323 HG1 THR 46 HG1 THR 46 2.652 -4.735 -10.932 324 HG21 THR 46 HG21 THR 46 1.771 -1.923 -9.660 325 HG22 THR 46 HG22 THR 46 2.731 -2.840 -10.817 326 HG23 THR 46 HG23 THR 46 1.068 -2.409 -11.202 327 H LEU 47 HN LEU 47 1.900 -6.348 -8.924 328 HA LEU 47 HA LEU 47 0.563 -8.285 -8.636 329 HB2 LEU 47 HB2 LEU 47 1.329 -9.098 -6.279 330 HB3 LEU 47 HB1 LEU 47 2.504 -8.861 -7.577 331 HG LEU 47 HG LEU 47 1.959 -6.437 -5.979 332 HD11 LEU 47 HD11 LEU 47 2.914 -8.922 -4.695 333 HD12 LEU 47 HD12 LEU 47 3.661 -7.388 -4.279 334 HD13 LEU 47 HD13 LEU 47 1.935 -7.574 -4.090 335 HD21 LEU 47 HD21 LEU 47 4.575 -7.818 -6.551 336 HD22 LEU 47 HD22 LEU 47 3.738 -6.871 -7.783 337 HD23 LEU 47 HD23 LEU 47 4.275 -6.100 -6.289 338 H GLN 48 HN GLN 48 0.485 -7.290 -5.263 339 HA GLN 48 HA GLN 48 -2.445 -7.103 -5.355 340 HB2 GLN 48 HB2 GLN 48 -1.137 -9.370 -4.371 341 HB3 GLN 48 HB1 GLN 48 -1.518 -8.415 -2.933 342 HG2 GLN 48 HG2 GLN 48 -3.500 -9.172 -5.096 343 HG3 GLN 48 HG1 GLN 48 -3.368 -9.946 -3.517 344 HE21 GLN 48 HE21 GLN 48 -5.675 -8.372 -4.621 345 HE22 GLN 48 HE22 GLN 48 -5.923 -7.107 -3.517 346 H CYS 49 HN CYS 49 -3.235 -5.615 -4.011 347 HA CYS 49 HA CYS 49 -1.287 -4.065 -2.431 348 HB2 CYS 49 HB2 CYS 49 -2.059 -2.914 -4.384 349 HB3 CYS 49 HB1 CYS 49 -3.737 -3.260 -3.950 350 H SER 50 HN SER 50 -1.596 -3.905 -0.352 351 HA SER 50 HA SER 50 -4.321 -4.110 0.689 352 HB2 SER 50 HB2 SER 50 -1.898 -5.510 1.844 353 HB3 SER 50 HB1 SER 50 -3.496 -5.464 2.584 354 HG SER 50 HG SER 50 -2.547 -7.027 0.585 355 H CYS 51 HN CYS 51 -4.730 -2.783 2.473 356 HA CYS 51 HA CYS 51 -2.486 -1.218 3.547 357 HB2 CYS 51 HB2 CYS 51 -5.049 0.137 2.756 358 HB3 CYS 51 HB1 CYS 51 -3.469 0.856 3.037 359 H ARG 52 HN ARG 52 -3.025 -0.158 5.616 360 HA ARG 52 HA ARG 52 -5.567 -0.890 6.887 361 HB2 ARG 52 HB2 ARG 52 -4.550 -2.054 8.780 362 HB3 ARG 52 HB1 ARG 52 -4.209 -2.908 7.277 363 HG2 ARG 52 HG2 ARG 52 -1.970 -2.021 7.198 364 HG3 ARG 52 HG1 ARG 52 -2.283 -0.933 8.542 365 HD2 ARG 52 HD2 ARG 52 -2.426 -3.946 8.756 366 HD3 ARG 52 HD1 ARG 52 -1.012 -2.991 9.189 367 HE ARG 52 HE ARG 52 -3.257 -1.947 10.544 368 HH11 ARG 52 HH11 ARG 52 -1.190 -4.716 10.442 369 HH12 ARG 52 HH12 ARG 52 -1.428 -5.131 12.105 370 HH21 ARG 52 HH21 ARG 52 -3.589 -2.494 12.728 371 HH22 ARG 52 HH22 ARG 52 -2.782 -3.873 13.399 372 H ARG 53 HN ARG 53 -5.971 0.209 8.862 373 HA ARG 53 HA ARG 53 -5.112 2.834 8.939 374 HB2 ARG 53 HB2 ARG 53 -7.134 1.993 10.022 375 HB3 ARG 53 HB1 ARG 53 -6.117 1.257 11.254 376 HG2 ARG 53 HG2 ARG 53 -5.256 3.393 11.935 377 HG3 ARG 53 HG1 ARG 53 -6.032 4.196 10.569 378 HD2 ARG 53 HD2 ARG 53 -7.371 4.598 12.473 379 HD3 ARG 53 HD1 ARG 53 -8.238 3.434 11.493 380 HE ARG 53 HE ARG 53 -6.633 2.062 13.381 381 HH11 ARG 53 HH11 ARG 53 -9.446 4.057 13.120 382 HH12 ARG 53 HH12 ARG 53 -10.228 3.377 14.508 383 HH21 ARG 53 HH21 ARG 53 -7.654 1.160 15.203 384 HH22 ARG 53 HH22 ARG 53 -9.213 1.738 15.687 385 H VAL 54 HN VAL 54 -3.729 3.965 10.143 386 HA VAL 54 HA VAL 54 -2.036 2.997 12.201 387 HB VAL 54 HB VAL 54 -1.195 1.769 10.104 388 HG11 VAL 54 HG11 VAL 54 0.342 4.232 9.445 389 HG12 VAL 54 HG12 VAL 54 -0.184 2.925 8.400 390 HG13 VAL 54 HG13 VAL 54 -1.328 4.158 8.912 391 HG21 VAL 54 HG21 VAL 54 1.263 2.785 10.784 392 HG22 VAL 54 HG22 VAL 54 0.281 3.186 12.197 393 HG23 VAL 54 HG23 VAL 54 0.415 1.512 11.660 394 H CYS 55 HN CYS 55 -3.362 5.312 12.287 395 HA CYS 55 HA CYS 55 -2.986 7.531 12.760 396 HB2 CYS 55 HB2 CYS 55 -0.905 8.150 13.353 397 HB3 CYS 55 HB1 CYS 55 -0.338 6.576 12.817 398 H ARG 56 HN ARG 56 -2.622 6.014 9.847 399 HA ARG 56 HA ARG 56 -3.849 8.007 8.320 400 HB2 ARG 56 HB2 ARG 56 -1.155 8.623 8.780 401 HB3 ARG 56 HB1 ARG 56 -1.191 7.893 7.176 402 HG2 ARG 56 HG2 ARG 56 -1.610 10.186 6.731 403 HG3 ARG 56 HG1 ARG 56 -3.212 9.469 6.726 404 HD2 ARG 56 HD2 ARG 56 -3.655 10.246 8.959 405 HD3 ARG 56 HD1 ARG 56 -1.982 10.747 9.187 406 HE ARG 56 HE ARG 56 -4.042 12.166 7.684 407 HH11 ARG 56 HH11 ARG 56 -0.687 11.741 8.434 408 HH12 ARG 56 HH12 ARG 56 -0.236 13.347 7.965 409 HH21 ARG 56 HH21 ARG 56 -3.464 14.288 7.101 410 HH22 ARG 56 HH22 ARG 56 -1.809 14.789 7.210 411 H ASN 57 HN ASN 57 -3.372 5.068 8.716 412 HA ASN 57 HA ASN 57 -3.692 3.243 7.335 413 HB2 ASN 57 HB2 ASN 57 -4.660 5.183 5.780 414 HB3 ASN 57 HB1 ASN 57 -3.246 4.731 4.848 415 HD21 ASN 57 HD21 ASN 57 -5.898 4.225 3.889 416 HD22 ASN 57 HD22 ASN 57 -6.134 2.545 3.845 417 H THR 58 HN THR 58 -2.343 1.772 6.487 418 HA THR 58 HA THR 58 0.441 2.583 5.981 419 HB THR 58 HB THR 58 0.090 -0.261 6.467 420 HG1 THR 58 HG1 THR 58 -1.550 0.679 7.858 421 HG21 THR 58 HG21 THR 58 1.793 1.901 7.732 422 HG22 THR 58 HG22 THR 58 1.939 0.182 8.090 423 HG23 THR 58 HG23 THR 58 2.264 0.770 6.461 424 H CYS 59 HN CYS 59 1.581 1.358 4.441 425 HA CYS 59 HA CYS 59 -0.159 0.312 2.303 426 HB2 CYS 59 HB2 CYS 59 1.213 2.458 2.037 427 HB3 CYS 59 HB1 CYS 59 2.623 1.416 2.038 428 H SER 60 HN SER 60 0.125 -1.681 1.613 429 HA SER 60 HA SER 60 2.683 -3.019 1.862 430 HB2 SER 60 HB2 SER 60 1.754 -4.943 3.081 431 HB3 SER 60 HB1 SER 60 1.655 -3.475 4.049 432 HG SER 60 HG SER 60 -0.500 -3.317 3.563 433 H CYS 61 HN CYS 61 2.933 -3.758 -0.130 434 HA CYS 61 HA CYS 61 0.623 -5.037 -1.445 435 HB2 CYS 61 HB2 CYS 61 2.914 -3.545 -2.746 436 HB3 CYS 61 HB1 CYS 61 1.671 -4.430 -3.619 437 H ILE 62 HN ILE 62 0.848 -7.111 -1.812 438 HA ILE 62 HA ILE 62 3.472 -8.331 -2.205 439 HB ILE 62 HB ILE 62 2.700 -10.042 -0.303 440 HG12 ILE 62 HG12 ILE 62 1.817 -8.813 1.634 441 HG13 ILE 62 HG11 ILE 62 1.696 -7.346 0.664 442 HG21 ILE 62 HG21 ILE 62 4.135 -7.437 0.298 443 HG22 ILE 62 HG22 ILE 62 4.291 -8.941 1.190 444 HG23 ILE 62 HG23 ILE 62 4.886 -8.839 -0.464 445 HD11 ILE 62 HD11 ILE 62 -0.427 -8.837 0.963 446 HD12 ILE 62 HD12 ILE 62 -0.054 -8.209 -0.643 447 HD13 ILE 62 HD13 ILE 62 0.341 -9.877 -0.235 448 H ARG 63 HN ARG 63 3.316 -10.662 -2.691 449 HA ARG 63 HA ARG 63 0.918 -11.174 -4.245 450 HB2 ARG 63 HB2 ARG 63 2.194 -12.994 -5.231 451 HB3 ARG 63 HB1 ARG 63 3.175 -11.528 -5.232 452 HG2 ARG 63 HG2 ARG 63 4.116 -12.360 -2.985 453 HG3 ARG 63 HG1 ARG 63 3.391 -13.915 -3.396 454 HD2 ARG 63 HD2 ARG 63 5.413 -12.396 -5.060 455 HD3 ARG 63 HD1 ARG 63 5.716 -13.869 -4.143 456 HE ARG 63 HE ARG 63 3.581 -14.331 -5.929 457 HH11 ARG 63 HH11 ARG 63 6.980 -13.703 -5.868 458 HH12 ARG 63 HH12 ARG 63 7.307 -14.558 -7.339 459 HH21 ARG 63 HH21 ARG 63 3.997 -15.453 -7.862 460 HH22 ARG 63 HH22 ARG 63 5.616 -15.549 -8.469 461 H LEU 64 HN LEU 64 0.748 -11.187 -1.390 462 HA LEU 64 HA LEU 64 -0.218 -12.430 0.291 463 HB2 LEU 64 HB2 LEU 64 -0.819 -14.339 -1.962 464 HB3 LEU 64 HB1 LEU 64 -1.588 -14.337 -0.377 465 HG LEU 64 HG LEU 64 -1.674 -12.050 -2.370 466 HD11 LEU 64 HD11 LEU 64 -4.200 -12.783 -2.258 467 HD12 LEU 64 HD12 LEU 64 -3.084 -13.652 -3.312 468 HD13 LEU 64 HD13 LEU 64 -3.527 -14.331 -1.746 469 HD21 LEU 64 HD21 LEU 64 -2.641 -12.434 0.440 470 HD22 LEU 64 HD22 LEU 64 -2.015 -10.982 -0.342 471 HD23 LEU 64 HD23 LEU 64 -3.662 -11.518 -0.669 472 H SER 65 HN SER 65 -0.393 -15.236 0.522 473 HA SER 65 HA SER 65 0.833 -17.140 1.012 474 HB2 SER 65 HB2 SER 65 2.304 -16.202 -1.011 475 HB3 SER 65 HB1 SER 65 3.435 -15.869 0.299 476 HG SER 65 HG SER 65 2.282 -18.339 -0.473 477 H ARG 66 HN ARG 66 0.698 -14.326 2.425 478 HA ARG 66 HA ARG 66 1.958 -15.248 4.855 479 HB2 ARG 66 HB2 ARG 66 3.375 -13.158 5.059 480 HB3 ARG 66 HB1 ARG 66 3.939 -14.343 3.878 481 HG2 ARG 66 HG2 ARG 66 2.863 -13.085 2.070 482 HG3 ARG 66 HG1 ARG 66 2.245 -11.917 3.234 483 HD2 ARG 66 HD2 ARG 66 4.257 -11.025 2.196 484 HD3 ARG 66 HD1 ARG 66 4.587 -11.378 3.888 485 HE ARG 66 HE ARG 66 6.052 -13.059 3.202 486 HH11 ARG 66 HH11 ARG 66 4.101 -11.911 0.585 487 HH12 ARG 66 HH12 ARG 66 5.002 -12.746 -0.637 488 HH21 ARG 66 HH21 ARG 66 7.244 -14.152 1.605 489 HH22 ARG 66 HH22 ARG 66 6.781 -14.014 -0.059 490 H SER 67 HN SER 67 1.457 -13.917 6.686 491 HA SER 67 HA SER 67 -1.157 -12.859 6.647 492 HB2 SER 67 HB2 SER 67 1.047 -12.609 8.695 493 HB3 SER 67 HB1 SER 67 -0.614 -12.088 8.963 494 HG SER 67 HG SER 67 -0.724 -14.116 9.630 495 H THR 68 HN THR 68 2.004 -11.320 6.604 496 HA THR 68 HA THR 68 2.672 -9.163 6.184 497 HB THR 68 HB THR 68 0.003 -9.016 4.759 498 HG1 THR 68 HG1 THR 68 2.405 -10.202 4.218 499 HG21 THR 68 HG21 THR 68 1.845 -7.384 3.477 500 HG22 THR 68 HG22 THR 68 0.551 -6.836 4.542 501 HG23 THR 68 HG23 THR 68 2.171 -7.102 5.187 502 H TYR 69 HN TYR 69 1.420 -9.648 8.683 503 HA TYR 69 HA TYR 69 0.161 -8.636 10.368 504 HB2 TYR 69 HB2 TYR 69 1.176 -6.543 11.013 505 HB3 TYR 69 HB1 TYR 69 2.433 -7.583 10.349 506 HD1 TYR 69 HD1 TYR 69 0.606 -4.455 9.969 507 HD2 TYR 69 HD2 TYR 69 3.215 -7.237 7.986 508 HE1 TYR 69 HE1 TYR 69 1.135 -2.743 8.256 509 HE2 TYR 69 HE2 TYR 69 3.751 -5.519 6.283 510 HH TYR 69 HH TYR 69 3.719 -2.903 6.234 511 H ALA 70 HN ALA 70 -1.235 -8.652 7.828 512 HA ALA 70 HA ALA 70 -2.391 -6.173 7.183 513 HB1 ALA 70 HB1 ALA 70 -2.548 -8.295 5.836 514 HB2 ALA 70 HB2 ALA 70 -3.744 -8.869 6.998 515 HB3 ALA 70 HB3 ALA 70 -4.077 -7.436 6.027 516 H SER 71 HN SER 71 -3.311 -8.629 9.565 517 HA SER 71 HA SER 71 -5.718 -7.257 10.349 518 HB2 SER 71 HB2 SER 71 -6.113 -9.071 11.683 519 HB3 SER 71 HB1 SER 71 -4.915 -9.807 10.622 520 HG SER 71 HG SER 71 -4.518 -10.022 12.932
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