NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
628557 | 5xol | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 2HA GLY 1 1.499 -0.529 -1.994 3 HA3 GLY 1 3HA GLY 1 2.208 1.023 -1.571 4 H SER 2 H SER 2 2.704 -2.384 -1.807 5 HA SER 2 HA SER 2 5.541 -1.982 -1.124 6 HB2 SER 2 2HB SER 2 5.284 -4.592 -0.580 7 HB3 SER 2 3HB SER 2 5.000 -3.345 0.635 8 HG SER 2 HG SER 2 3.329 -5.134 0.088 9 H LYS 3 H LYS 3 3.224 -3.965 -2.935 10 HA LYS 3 HA LYS 3 5.160 -4.141 -5.118 11 HB2 LYS 3 2HB LYS 3 4.606 -6.569 -5.411 12 HB3 LYS 3 3HB LYS 3 5.544 -6.205 -3.969 13 HG2 LYS 3 2HG LYS 3 4.034 -7.517 -2.960 14 HG3 LYS 3 3HG LYS 3 3.040 -6.058 -2.972 15 HD2 LYS 3 2HD LYS 3 1.594 -6.927 -4.447 16 HD3 LYS 3 3HD LYS 3 2.883 -7.592 -5.452 17 HE2 LYS 3 2HE LYS 3 1.511 -9.383 -4.576 18 HE3 LYS 3 3HE LYS 3 3.123 -9.460 -3.867 19 HZ1 LYS 3 1HZ LYS 3 1.150 -9.754 -2.320 20 HZ2 LYS 3 2HZ LYS 3 0.892 -8.091 -2.493 21 HZ3 LYS 3 3HZ LYS 3 2.344 -8.657 -1.836 22 H LYS 4 H LYS 4 4.218 -3.568 -6.954 23 HA LYS 4 HA LYS 4 1.462 -4.347 -7.493 24 HB2 LYS 4 2HB LYS 4 2.277 -1.478 -7.899 25 HB3 LYS 4 3HB LYS 4 0.661 -2.170 -7.944 26 HG2 LYS 4 2HG LYS 4 0.633 -1.125 -5.911 27 HG3 LYS 4 3HG LYS 4 1.157 -2.745 -5.443 28 HD2 LYS 4 2HD LYS 4 2.840 -1.688 -4.403 29 HD3 LYS 4 3HD LYS 4 3.532 -1.519 -6.018 30 HE2 LYS 4 2HE LYS 4 1.577 0.518 -5.062 31 HE3 LYS 4 3HE LYS 4 3.227 0.566 -4.443 32 HZ1 LYS 4 1HZ LYS 4 4.078 0.831 -6.621 33 HZ2 LYS 4 2HZ LYS 4 2.814 1.943 -6.463 34 HZ3 LYS 4 3HZ LYS 4 2.578 0.513 -7.335 35 HA PRO 5 HA PRO 5 4.428 -4.593 -11.099 36 HB2 PRO 5 2HB PRO 5 3.962 -7.213 -11.640 37 HB3 PRO 5 3HB PRO 5 5.195 -6.672 -10.494 38 HG2 PRO 5 2HG PRO 5 2.428 -7.683 -9.962 39 HG3 PRO 5 3HG PRO 5 3.939 -8.059 -9.113 40 HD2 PRO 5 2HD PRO 5 2.133 -6.284 -8.155 41 HD3 PRO 5 3HD PRO 5 3.878 -6.113 -7.881 42 H VAL 6 H VAL 6 1.307 -6.290 -10.761 43 HA VAL 6 HA VAL 6 0.505 -5.139 -13.353 44 HB VAL 6 HB VAL 6 0.959 -7.675 -13.306 45 HG11 VAL 6 1HG1 VAL 6 -0.800 -9.082 -12.472 46 HG12 VAL 6 2HG1 VAL 6 -0.239 -8.045 -11.159 47 HG13 VAL 6 3HG1 VAL 6 -1.753 -7.679 -11.988 48 HG21 VAL 6 1HG2 VAL 6 -0.320 -6.337 -15.039 49 HG22 VAL 6 2HG2 VAL 6 -0.697 -8.057 -14.946 50 HG23 VAL 6 3HG2 VAL 6 -1.791 -6.875 -14.227 51 HA PRO 7 HA PRO 7 -2.817 -3.399 -11.003 52 HB2 PRO 7 2HB PRO 7 -4.312 -2.551 -13.105 53 HB3 PRO 7 3HB PRO 7 -2.839 -1.727 -12.580 54 HG2 PRO 7 2HG PRO 7 -3.225 -3.670 -14.825 55 HG3 PRO 7 3HG PRO 7 -2.291 -2.163 -14.797 56 HD2 PRO 7 2HD PRO 7 -1.135 -4.598 -14.543 57 HD3 PRO 7 3HD PRO 7 -0.494 -3.149 -13.744 58 H ILE 8 H ILE 8 -3.246 -5.827 -13.482 59 HA ILE 8 HA ILE 8 -5.929 -6.447 -12.463 60 HB ILE 8 HB ILE 8 -6.399 -7.563 -14.459 61 HG12 ILE 8 2HG1 ILE 8 -3.440 -7.856 -14.641 62 HG13 ILE 8 3HG1 ILE 8 -4.705 -9.049 -14.915 63 HG21 ILE 8 1HG2 ILE 8 -6.031 -5.966 -16.164 64 HG22 ILE 8 2HG2 ILE 8 -6.092 -5.066 -14.649 65 HG23 ILE 8 3HG2 ILE 8 -4.538 -5.403 -15.413 66 HD11 ILE 8 1HD1 ILE 8 -5.241 -7.694 -17.023 67 HD12 ILE 8 2HD1 ILE 8 -3.657 -6.958 -16.776 68 HD13 ILE 8 3HD1 ILE 8 -3.793 -8.700 -17.016 69 H ILE 9 H ILE 9 -6.257 -8.163 -11.210 70 HA ILE 9 HA ILE 9 -4.329 -10.375 -11.279 71 HB ILE 9 HB ILE 9 -3.806 -10.318 -9.082 72 HG12 ILE 9 2HG1 ILE 9 -6.018 -8.787 -7.933 73 HG13 ILE 9 3HG1 ILE 9 -6.549 -10.251 -8.754 74 HG21 ILE 9 1HG2 ILE 9 -3.317 -8.048 -10.050 75 HG22 ILE 9 2HG2 ILE 9 -4.766 -7.470 -9.229 76 HG23 ILE 9 3HG2 ILE 9 -3.418 -8.114 -8.291 77 HD11 ILE 9 1HD1 ILE 9 -4.279 -10.406 -6.836 78 HD12 ILE 9 2HD1 ILE 9 -5.931 -10.294 -6.226 79 HD13 ILE 9 3HD1 ILE 9 -5.469 -11.630 -7.280 80 H TYR 10 H TYR 10 -5.217 -12.246 -9.858 81 HA TYR 10 HA TYR 10 -8.138 -12.417 -10.056 82 HB2 TYR 10 2HB TYR 10 -7.746 -14.832 -10.894 83 HB3 TYR 10 3HB TYR 10 -7.580 -13.512 -12.045 84 HD1 TYR 10 HD1 TYR 10 -6.242 -14.969 -13.510 85 HD2 TYR 10 HD2 TYR 10 -4.964 -14.016 -9.565 86 HE1 TYR 10 HE1 TYR 10 -3.973 -15.737 -14.066 87 HE2 TYR 10 HE2 TYR 10 -2.691 -14.780 -10.111 88 HH TYR 10 HH TYR 10 -1.812 -16.641 -12.133 89 H CYS 11 H CYS 11 -7.783 -12.064 -7.714 90 HA CYS 11 HA CYS 11 -7.087 -14.584 -6.351 91 HB2 CYS 11 2HB CYS 11 -5.507 -12.859 -5.739 92 HB3 CYS 11 3HB CYS 11 -6.813 -11.736 -5.374 93 H ASN 12 H ASN 12 -8.997 -15.571 -6.033 94 HA ASN 12 HA ASN 12 -11.284 -14.001 -5.102 95 HB2 ASN 12 2HB ASN 12 -11.990 -15.399 -6.831 96 HB3 ASN 12 3HB ASN 12 -10.972 -16.735 -6.299 97 HD21 ASN 12 1HD2 ASN 12 -11.578 -17.783 -4.268 98 HD22 ASN 12 2HD2 ASN 12 -13.255 -17.910 -3.872 99 H ALA 13 H ALA 13 -12.694 -15.160 -3.432 100 HA ALA 13 HA ALA 13 -11.588 -15.169 -0.973 101 HB1 ALA 13 1HB ALA 13 -13.434 -16.614 -0.220 102 HB2 ALA 13 2HB ALA 13 -13.979 -15.340 -1.311 103 HB3 ALA 13 3HB ALA 13 -13.804 -16.992 -1.902 104 H ALA 14 H ALA 14 -11.510 -17.210 0.540 105 HA ALA 14 HA ALA 14 -9.187 -18.574 0.117 106 HB1 ALA 14 1HB ALA 14 -10.011 -20.241 1.761 107 HB2 ALA 14 2HB ALA 14 -10.250 -18.569 2.271 108 HB3 ALA 14 3HB ALA 14 -11.609 -19.504 1.650 109 H THR 15 H THR 15 -8.909 -19.379 -1.943 110 HA THR 15 HA THR 15 -10.403 -21.838 -2.530 111 HB THR 15 HB THR 15 -11.409 -20.158 -3.954 112 HG1 THR 15 HG1 THR 15 -11.321 -21.944 -5.152 113 HG21 THR 15 1HG2 THR 15 -9.181 -18.761 -3.877 114 HG22 THR 15 2HG2 THR 15 -10.274 -18.636 -5.256 115 HG23 THR 15 3HG2 THR 15 -8.830 -19.642 -5.363 116 H GLY 16 H GLY 16 -9.189 -22.576 -4.860 117 HA2 GLY 16 2HA GLY 16 -6.503 -23.211 -3.905 118 HA3 GLY 16 3HA GLY 16 -7.352 -24.001 -5.226 119 H LYS 17 H LYS 17 -7.236 -20.538 -5.073 120 HA LYS 17 HA LYS 17 -4.876 -20.195 -6.629 121 HB2 LYS 17 2HB LYS 17 -5.632 -20.175 -8.745 122 HB3 LYS 17 3HB LYS 17 -7.008 -21.072 -8.118 123 HG2 LYS 17 2HG LYS 17 -7.013 -18.080 -8.135 124 HG3 LYS 17 3HG LYS 17 -7.433 -19.001 -9.582 125 HD2 LYS 17 2HD LYS 17 -8.937 -20.262 -7.707 126 HD3 LYS 17 3HD LYS 17 -8.932 -18.611 -7.081 127 HE2 LYS 17 2HE LYS 17 -9.417 -18.897 -9.976 128 HE3 LYS 17 3HE LYS 17 -10.683 -19.519 -8.919 129 HZ1 LYS 17 1HZ LYS 17 -11.387 -17.453 -8.654 130 HZ2 LYS 17 2HZ LYS 17 -10.117 -16.848 -9.592 131 HZ3 LYS 17 3HZ LYS 17 -9.919 -17.037 -7.923 132 H CYS 18 H CYS 18 -4.172 -18.154 -6.421 133 HA CYS 18 HA CYS 18 -5.859 -15.880 -6.308 134 HB2 CYS 18 2HB CYS 18 -6.463 -16.473 -4.110 135 HB3 CYS 18 3HB CYS 18 -4.830 -16.999 -3.711 136 H GLN 19 H GLN 19 -4.659 -14.398 -7.278 137 HA GLN 19 HA GLN 19 -2.324 -13.295 -6.388 138 HB2 GLN 19 2HB GLN 19 -0.752 -14.350 -8.210 139 HB3 GLN 19 3HB GLN 19 -0.955 -15.128 -6.646 140 HG2 GLN 19 2HG GLN 19 -1.955 -16.925 -7.527 141 HG3 GLN 19 3HG GLN 19 -2.885 -15.970 -8.680 142 HE21 GLN 19 1HE2 GLN 19 -0.868 -14.687 -10.036 143 HE22 GLN 19 2HE2 GLN 19 0.062 -15.848 -10.916 144 H ARG 20 H ARG 20 -0.954 -13.102 -8.989 145 HA ARG 20 HA ARG 20 -2.992 -11.800 -10.643 146 HB2 ARG 20 2HB ARG 20 -1.942 -9.733 -10.704 147 HB3 ARG 20 3HB ARG 20 -1.731 -10.202 -9.022 148 HG2 ARG 20 2HG ARG 20 0.310 -10.339 -11.226 149 HG3 ARG 20 3HG ARG 20 0.325 -9.291 -9.806 150 HD2 ARG 20 2HD ARG 20 0.736 -12.264 -9.945 151 HD3 ARG 20 3HD ARG 20 1.838 -11.033 -9.328 152 HE ARG 20 HE ARG 20 -0.694 -11.348 -7.931 153 HH11 ARG 20 1HH1 ARG 20 2.716 -12.033 -8.068 154 HH12 ARG 20 2HH1 ARG 20 2.835 -12.437 -6.387 155 HH21 ARG 20 1HH2 ARG 20 -0.550 -11.876 -5.717 156 HH22 ARG 20 2HH2 ARG 20 0.976 -12.348 -5.051 157 H MET 21 H MET 21 -1.859 -10.967 -12.747 158 HA MET 21 HA MET 21 0.412 -12.509 -13.611 159 HB2 MET 21 2HB MET 21 -0.580 -14.018 -15.017 160 HB3 MET 21 3HB MET 21 -1.826 -13.924 -13.780 161 HG2 MET 21 2HG MET 21 -3.152 -13.645 -15.576 162 HG3 MET 21 3HG MET 21 -2.674 -11.962 -15.370 163 HE1 MET 21 1HE MET 21 -0.290 -14.876 -17.667 164 HE2 MET 21 2HE MET 21 -1.687 -15.250 -16.658 165 HE3 MET 21 3HE MET 21 -1.889 -15.030 -18.396 166 H1 GLY 33 H GLY 33 -26.077 -18.225 -17.508 167 HA2 GLY 33 2HA GLY 33 -27.718 -19.718 -16.916 168 HA3 GLY 33 3HA GLY 33 -28.683 -19.040 -18.219 169 H SER 34 H SER 34 -25.555 -20.476 -18.795 170 HA SER 34 HA SER 34 -26.887 -22.815 -19.993 171 HB2 SER 34 2HB SER 34 -25.015 -20.872 -21.191 172 HB3 SER 34 3HB SER 34 -24.648 -22.565 -21.521 173 HG SER 34 HG SER 34 -26.123 -22.353 -23.002 174 H LYS 35 H LYS 35 -23.838 -21.531 -18.712 175 HA LYS 35 HA LYS 35 -23.304 -24.141 -17.509 176 HB2 LYS 35 2HB LYS 35 -20.942 -24.061 -18.238 177 HB3 LYS 35 3HB LYS 35 -22.060 -24.211 -19.588 178 HG2 LYS 35 2HG LYS 35 -21.765 -21.498 -19.368 179 HG3 LYS 35 3HG LYS 35 -20.157 -22.098 -18.956 180 HD2 LYS 35 2HD LYS 35 -20.890 -23.626 -21.142 181 HD3 LYS 35 3HD LYS 35 -21.517 -22.022 -21.524 182 HE2 LYS 35 2HE LYS 35 -19.270 -21.090 -21.001 183 HE3 LYS 35 3HE LYS 35 -18.680 -22.738 -20.795 184 HZ1 LYS 35 1HZ LYS 35 -18.382 -22.877 -22.969 185 HZ2 LYS 35 2HZ LYS 35 -18.903 -21.280 -23.160 186 HZ3 LYS 35 3HZ LYS 35 -20.016 -22.549 -23.258 187 H LYS 36 H LYS 36 -22.851 -23.881 -15.431 188 HA LYS 36 HA LYS 36 -21.247 -21.613 -14.554 189 HB2 LYS 36 2HB LYS 36 -23.829 -22.214 -13.128 190 HB3 LYS 36 3HB LYS 36 -22.786 -20.809 -12.953 191 HG2 LYS 36 2HG LYS 36 -24.502 -19.930 -14.181 192 HG3 LYS 36 3HG LYS 36 -23.392 -20.415 -15.465 193 HD2 LYS 36 2HD LYS 36 -25.167 -21.479 -16.330 194 HD3 LYS 36 3HD LYS 36 -24.855 -22.692 -15.086 195 HE2 LYS 36 2HE LYS 36 -26.487 -20.350 -14.301 196 HE3 LYS 36 3HE LYS 36 -27.231 -21.505 -15.406 197 HZ1 LYS 36 1HZ LYS 36 -25.930 -22.355 -12.889 198 HZ2 LYS 36 2HZ LYS 36 -27.012 -23.226 -13.854 199 HZ3 LYS 36 3HZ LYS 36 -27.560 -21.906 -12.948 200 HA PRO 37 HA PRO 37 -20.371 -25.704 -12.465 201 HB2 PRO 37 2HB PRO 37 -17.727 -25.747 -13.076 202 HB3 PRO 37 3HB PRO 37 -18.970 -26.409 -14.143 203 HG2 PRO 37 2HG PRO 37 -17.577 -23.762 -14.271 204 HG3 PRO 37 3HG PRO 37 -17.966 -24.887 -15.586 205 HD2 PRO 37 2HD PRO 37 -19.447 -22.680 -15.072 206 HD3 PRO 37 3HD PRO 37 -20.154 -24.175 -15.718 207 H VAL 38 H VAL 38 -18.306 -22.805 -12.628 208 HA VAL 38 HA VAL 38 -17.948 -23.005 -9.708 209 HB VAL 38 HB VAL 38 -15.871 -23.371 -11.139 210 HG11 VAL 38 1HG1 VAL 38 -16.403 -21.572 -12.766 211 HG12 VAL 38 2HG1 VAL 38 -16.073 -20.385 -11.503 212 HG13 VAL 38 3HG1 VAL 38 -14.785 -21.444 -12.078 213 HG21 VAL 38 1HG2 VAL 38 -14.482 -22.357 -9.546 214 HG22 VAL 38 2HG2 VAL 38 -15.611 -21.030 -9.276 215 HG23 VAL 38 3HG2 VAL 38 -15.996 -22.648 -8.690 216 HA PRO 39 HA PRO 39 -20.048 -19.100 -9.634 217 HB2 PRO 39 2HB PRO 39 -19.618 -18.555 -7.010 218 HB3 PRO 39 3HB PRO 39 -20.812 -19.735 -7.563 219 HG2 PRO 39 2HG PRO 39 -18.037 -20.188 -6.534 220 HG3 PRO 39 3HG PRO 39 -19.525 -21.082 -6.171 221 HD2 PRO 39 2HD PRO 39 -17.679 -21.981 -7.936 222 HD3 PRO 39 3HD PRO 39 -19.414 -22.306 -8.121 223 H ILE 40 H ILE 40 -16.727 -19.604 -8.711 224 HA ILE 40 HA ILE 40 -16.213 -16.713 -8.899 225 HB ILE 40 HB ILE 40 -14.338 -16.951 -7.559 226 HG12 ILE 40 2HG1 ILE 40 -14.265 -19.685 -8.689 227 HG13 ILE 40 3HG1 ILE 40 -12.947 -18.565 -8.361 228 HG21 ILE 40 1HG2 ILE 40 -15.039 -18.083 -5.585 229 HG22 ILE 40 2HG2 ILE 40 -16.487 -17.460 -6.375 230 HG23 ILE 40 3HG2 ILE 40 -16.078 -19.170 -6.506 231 HD11 ILE 40 1HD1 ILE 40 -12.663 -20.438 -6.943 232 HD12 ILE 40 2HD1 ILE 40 -13.226 -19.106 -5.933 233 HD13 ILE 40 3HD1 ILE 40 -14.346 -20.378 -6.419 234 H ILE 41 H ILE 41 -14.920 -15.901 -10.456 235 HA ILE 41 HA ILE 41 -13.399 -17.761 -12.139 236 HB ILE 41 HB ILE 41 -14.398 -17.221 -14.089 237 HG12 ILE 41 2HG1 ILE 41 -15.624 -14.634 -13.501 238 HG13 ILE 41 3HG1 ILE 41 -13.880 -14.632 -13.261 239 HG21 ILE 41 1HG2 ILE 41 -16.202 -17.956 -12.510 240 HG22 ILE 41 2HG2 ILE 41 -16.638 -16.258 -12.324 241 HG23 ILE 41 3HG2 ILE 41 -16.764 -17.033 -13.903 242 HD11 ILE 41 1HD1 ILE 41 -15.001 -15.778 -15.768 243 HD12 ILE 41 2HD1 ILE 41 -14.900 -14.027 -15.576 244 HD13 ILE 41 3HD1 ILE 41 -13.440 -15.011 -15.476 245 H TYR 42 H TYR 42 -12.028 -16.420 -13.762 246 HA TYR 42 HA TYR 42 -11.093 -13.923 -12.548 247 HB2 TYR 42 2HB TYR 42 -8.707 -14.798 -13.052 248 HB3 TYR 42 3HB TYR 42 -9.520 -15.363 -11.598 249 HD1 TYR 42 HD1 TYR 42 -10.582 -16.642 -14.841 250 HD2 TYR 42 HD2 TYR 42 -8.031 -17.312 -11.502 251 HE1 TYR 42 HE1 TYR 42 -10.253 -18.969 -15.567 252 HE2 TYR 42 HE2 TYR 42 -7.694 -19.641 -12.220 253 HH TYR 42 HH TYR 42 -9.594 -21.229 -14.256 254 H CYS 43 H CYS 43 -12.342 -13.182 -14.456 255 HA CYS 43 HA CYS 43 -10.717 -13.334 -16.911 256 HB2 CYS 43 2HB CYS 43 -12.867 -14.387 -17.275 257 HB3 CYS 43 3HB CYS 43 -13.706 -12.986 -16.615 258 H ASN 44 H ASN 44 -9.506 -11.534 -16.891 259 HA ASN 44 HA ASN 44 -10.732 -8.992 -16.111 260 HB2 ASN 44 2HB ASN 44 -8.690 -9.191 -15.003 261 HB3 ASN 44 3HB ASN 44 -7.901 -9.948 -16.384 262 HD21 ASN 44 1HD2 ASN 44 -7.499 -8.584 -18.261 263 HD22 ASN 44 2HD2 ASN 44 -7.149 -6.910 -18.015 264 H ALA 45 H ALA 45 -9.929 -7.055 -17.438 265 HA ALA 45 HA ALA 45 -11.055 -6.955 -19.887 266 HB1 ALA 45 1HB ALA 45 -8.801 -5.442 -18.673 267 HB2 ALA 45 2HB ALA 45 -9.156 -5.192 -20.383 268 HB3 ALA 45 3HB ALA 45 -10.399 -4.887 -19.171 269 H ALA 46 H ALA 46 -9.753 -6.468 -22.019 270 HA ALA 46 HA ALA 46 -8.913 -8.817 -23.127 271 HB1 ALA 46 1HB ALA 46 -8.060 -6.022 -23.862 272 HB2 ALA 46 2HB ALA 46 -7.794 -7.445 -24.870 273 HB3 ALA 46 3HB ALA 46 -9.437 -6.920 -24.501 274 H THR 47 H THR 47 -7.516 -10.018 -21.870 275 HA THR 47 HA THR 47 -4.734 -9.079 -21.861 276 HB THR 47 HB THR 47 -5.519 -8.706 -19.598 277 HG1 THR 47 HG1 THR 47 -4.126 -10.494 -18.591 278 HG21 THR 47 1HG2 THR 47 -6.664 -10.233 -18.297 279 HG22 THR 47 2HG2 THR 47 -6.076 -11.618 -19.219 280 HG23 THR 47 3HG2 THR 47 -7.327 -10.575 -19.895 281 H GLY 48 H GLY 48 -3.521 -11.235 -20.704 282 HA2 GLY 48 2HA GLY 48 -3.913 -13.261 -22.771 283 HA3 GLY 48 3HA GLY 48 -2.529 -13.125 -21.696 284 H LYS 49 H LYS 49 -5.741 -12.958 -20.399 285 HA LYS 49 HA LYS 49 -6.044 -15.738 -19.857 286 HB2 LYS 49 2HB LYS 49 -5.029 -15.982 -17.881 287 HB3 LYS 49 3HB LYS 49 -4.272 -14.419 -18.158 288 HG2 LYS 49 2HG LYS 49 -6.999 -14.501 -16.969 289 HG3 LYS 49 3HG LYS 49 -5.608 -14.903 -15.960 290 HD2 LYS 49 2HD LYS 49 -4.585 -12.720 -16.797 291 HD3 LYS 49 3HD LYS 49 -6.199 -12.327 -17.394 292 HE2 LYS 49 2HE LYS 49 -6.975 -11.882 -15.337 293 HE3 LYS 49 3HE LYS 49 -6.154 -13.271 -14.626 294 HZ1 LYS 49 1HZ LYS 49 -4.278 -12.061 -14.197 295 HZ2 LYS 49 2HZ LYS 49 -5.453 -10.862 -13.994 296 HZ3 LYS 49 3HZ LYS 49 -4.563 -10.939 -15.430 297 H CYS 50 H CYS 50 -8.130 -16.159 -19.449 298 HA CYS 50 HA CYS 50 -9.841 -14.480 -17.940 299 HB2 CYS 50 2HB CYS 50 -9.948 -12.983 -19.750 300 HB3 CYS 50 3HB CYS 50 -9.969 -14.282 -20.938 301 H GLN 51 H GLN 51 -11.132 -15.900 -16.994 302 HA GLN 51 HA GLN 51 -12.983 -17.525 -18.173 303 HB2 GLN 51 2HB GLN 51 -11.760 -19.803 -17.732 304 HB3 GLN 51 3HB GLN 51 -11.536 -18.955 -19.256 305 HG2 GLN 51 2HG GLN 51 -9.367 -18.573 -18.871 306 HG3 GLN 51 3HG GLN 51 -9.629 -18.209 -17.166 307 HE21 GLN 51 1HE2 GLN 51 -10.805 -20.540 -16.311 308 HE22 GLN 51 2HE2 GLN 51 -9.665 -21.834 -16.422 309 H ARG 52 H ARG 52 -12.585 -19.901 -16.489 310 HA ARG 52 HA ARG 52 -12.690 -18.763 -13.792 311 HB2 ARG 52 2HB ARG 52 -14.801 -19.584 -13.283 312 HB3 ARG 52 3HB ARG 52 -15.010 -19.018 -14.935 313 HG2 ARG 52 2HG ARG 52 -14.628 -21.857 -14.018 314 HG3 ARG 52 3HG ARG 52 -16.081 -21.139 -14.715 315 HD2 ARG 52 2HD ARG 52 -13.468 -21.763 -16.057 316 HD3 ARG 52 3HD ARG 52 -15.079 -22.349 -16.466 317 HE ARG 52 HE ARG 52 -14.611 -19.486 -16.711 318 HH11 ARG 52 1HH1 ARG 52 -14.881 -22.590 -18.265 319 HH12 ARG 52 2HH1 ARG 52 -15.147 -21.924 -19.841 320 HH21 ARG 52 1HH2 ARG 52 -14.962 -18.597 -18.782 321 HH22 ARG 52 2HH2 ARG 52 -15.192 -19.652 -20.134 322 H MET 53 H MET 53 -12.965 -20.649 -12.151 323 HA MET 53 HA MET 53 -11.107 -22.778 -12.973 324 HB2 MET 53 2HB MET 53 -11.522 -21.298 -10.418 325 HB3 MET 53 3HB MET 53 -10.972 -22.966 -10.329 326 HG2 MET 53 2HG MET 53 -9.501 -21.322 -12.247 327 HG3 MET 53 3HG MET 53 -9.364 -20.788 -10.573 328 HE1 MET 53 1HE MET 53 -8.824 -23.124 -13.230 329 HE2 MET 53 2HE MET 53 -7.304 -23.904 -12.792 330 HE3 MET 53 3HE MET 53 -8.839 -24.694 -12.425 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.151 -0.442 -2.316 2 HA2 GLY 1 2HA GLY 1 2.974 0.961 -2.712 3 HA3 GLY 1 3HA GLY 1 2.985 0.920 -0.955 4 H SER 2 H SER 2 3.660 -2.036 -2.562 5 HA SER 2 HA SER 2 6.551 -1.626 -2.188 6 HB2 SER 2 2HB SER 2 4.923 -4.036 -1.352 7 HB3 SER 2 3HB SER 2 6.686 -3.990 -1.376 8 HG SER 2 HG SER 2 6.437 -3.257 0.582 9 H LYS 3 H LYS 3 4.045 -3.638 -3.692 10 HA LYS 3 HA LYS 3 5.700 -3.810 -6.096 11 HB2 LYS 3 2HB LYS 3 5.005 -6.270 -6.270 12 HB3 LYS 3 3HB LYS 3 6.283 -5.869 -5.129 13 HG2 LYS 3 2HG LYS 3 3.566 -5.829 -4.016 14 HG3 LYS 3 3HG LYS 3 4.141 -7.409 -4.552 15 HD2 LYS 3 2HD LYS 3 6.194 -6.006 -3.089 16 HD3 LYS 3 3HD LYS 3 4.714 -6.129 -2.135 17 HE2 LYS 3 2HE LYS 3 4.832 -8.396 -1.995 18 HE3 LYS 3 3HE LYS 3 5.597 -8.563 -3.574 19 HZ1 LYS 3 1HZ LYS 3 7.662 -8.293 -2.708 20 HZ2 LYS 3 2HZ LYS 3 6.914 -8.961 -1.346 21 HZ3 LYS 3 3HZ LYS 3 7.145 -7.289 -1.447 22 H LYS 4 H LYS 4 4.530 -3.247 -7.800 23 HA LYS 4 HA LYS 4 1.740 -4.065 -7.996 24 HB2 LYS 4 2HB LYS 4 2.459 -1.185 -8.496 25 HB3 LYS 4 3HB LYS 4 0.859 -1.900 -8.346 26 HG2 LYS 4 2HG LYS 4 1.063 -0.855 -6.323 27 HG3 LYS 4 3HG LYS 4 1.662 -2.466 -5.924 28 HD2 LYS 4 2HD LYS 4 3.446 -1.390 -5.096 29 HD3 LYS 4 3HD LYS 4 3.933 -1.205 -6.783 30 HE2 LYS 4 2HE LYS 4 2.115 0.866 -6.284 31 HE3 LYS 4 3HE LYS 4 3.161 0.801 -4.865 32 HZ1 LYS 4 1HZ LYS 4 3.741 2.007 -7.244 33 HZ2 LYS 4 2HZ LYS 4 4.634 0.572 -7.302 34 HZ3 LYS 4 3HZ LYS 4 4.846 1.648 -6.014 35 HA PRO 5 HA PRO 5 4.245 -4.274 -11.939 36 HB2 PRO 5 2HB PRO 5 3.754 -6.901 -12.419 37 HB3 PRO 5 3HB PRO 5 5.111 -6.341 -11.433 38 HG2 PRO 5 2HG PRO 5 2.444 -7.391 -10.566 39 HG3 PRO 5 3HG PRO 5 4.053 -7.744 -9.909 40 HD2 PRO 5 2HD PRO 5 2.353 -5.994 -8.736 41 HD3 PRO 5 3HD PRO 5 4.117 -5.797 -8.678 42 H VAL 6 H VAL 6 1.221 -6.037 -11.233 43 HA VAL 6 HA VAL 6 0.105 -4.932 -13.729 44 HB VAL 6 HB VAL 6 0.526 -7.445 -13.703 45 HG11 VAL 6 1HG1 VAL 6 -1.890 -7.434 -11.898 46 HG12 VAL 6 2HG1 VAL 6 -1.034 -8.845 -12.523 47 HG13 VAL 6 3HG1 VAL 6 -0.244 -7.775 -11.365 48 HG21 VAL 6 1HG2 VAL 6 -1.104 -6.127 -15.170 49 HG22 VAL 6 2HG2 VAL 6 -1.358 -7.867 -15.032 50 HG23 VAL 6 3HG2 VAL 6 -2.368 -6.753 -14.111 51 HA PRO 7 HA PRO 7 -2.852 -3.049 -11.014 52 HB2 PRO 7 2HB PRO 7 -4.523 -2.133 -12.948 53 HB3 PRO 7 3HB PRO 7 -2.973 -1.369 -12.577 54 HG2 PRO 7 2HG PRO 7 -3.664 -3.283 -14.773 55 HG3 PRO 7 3HG PRO 7 -2.675 -1.813 -14.841 56 HD2 PRO 7 2HD PRO 7 -1.593 -4.292 -14.711 57 HD3 PRO 7 3HD PRO 7 -0.817 -2.872 -13.981 58 H ILE 8 H ILE 8 -3.587 -5.490 -13.389 59 HA ILE 8 HA ILE 8 -6.170 -6.017 -12.082 60 HB ILE 8 HB ILE 8 -6.962 -6.997 -14.026 61 HG12 ILE 8 2HG1 ILE 8 -4.112 -7.632 -14.491 62 HG13 ILE 8 3HG1 ILE 8 -5.547 -8.606 -14.791 63 HG21 ILE 8 1HG2 ILE 8 -5.039 -4.979 -15.161 64 HG22 ILE 8 2HG2 ILE 8 -6.632 -5.420 -15.773 65 HG23 ILE 8 3HG2 ILE 8 -6.484 -4.541 -14.251 66 HD11 ILE 8 1HD1 ILE 8 -4.386 -6.448 -16.525 67 HD12 ILE 8 2HD1 ILE 8 -4.562 -8.165 -16.888 68 HD13 ILE 8 3HD1 ILE 8 -5.990 -7.136 -16.779 69 H ILE 9 H ILE 9 -6.554 -7.913 -11.070 70 HA ILE 9 HA ILE 9 -4.572 -10.063 -11.308 71 HB ILE 9 HB ILE 9 -4.030 -10.156 -9.118 72 HG12 ILE 9 2HG1 ILE 9 -6.279 -8.789 -7.840 73 HG13 ILE 9 3HG1 ILE 9 -6.772 -10.199 -8.771 74 HG21 ILE 9 1HG2 ILE 9 -5.077 -7.334 -9.045 75 HG22 ILE 9 2HG2 ILE 9 -3.714 -8.007 -8.152 76 HG23 ILE 9 3HG2 ILE 9 -3.609 -7.806 -9.900 77 HD11 ILE 9 1HD1 ILE 9 -5.667 -11.655 -7.404 78 HD12 ILE 9 2HD1 ILE 9 -4.477 -10.454 -6.901 79 HD13 ILE 9 3HD1 ILE 9 -6.115 -10.401 -6.248 80 H TYR 10 H TYR 10 -5.410 -12.055 -10.020 81 HA TYR 10 HA TYR 10 -8.327 -12.278 -10.215 82 HB2 TYR 10 2HB TYR 10 -7.874 -14.618 -11.238 83 HB3 TYR 10 3HB TYR 10 -7.780 -13.206 -12.285 84 HD1 TYR 10 HD1 TYR 10 -6.410 -14.436 -13.897 85 HD2 TYR 10 HD2 TYR 10 -5.108 -13.864 -9.887 86 HE1 TYR 10 HE1 TYR 10 -4.127 -15.074 -14.554 87 HE2 TYR 10 HE2 TYR 10 -2.822 -14.499 -10.533 88 HH TYR 10 HH TYR 10 -1.992 -16.139 -12.985 89 H CYS 11 H CYS 11 -7.946 -12.100 -7.854 90 HA CYS 11 HA CYS 11 -7.186 -14.704 -6.701 91 HB2 CYS 11 2HB CYS 11 -5.636 -13.003 -5.966 92 HB3 CYS 11 3HB CYS 11 -6.959 -11.935 -5.509 93 H ASN 12 H ASN 12 -9.044 -15.771 -6.384 94 HA ASN 12 HA ASN 12 -11.368 -14.326 -5.343 95 HB2 ASN 12 2HB ASN 12 -12.062 -15.622 -7.152 96 HB3 ASN 12 3HB ASN 12 -10.997 -16.960 -6.730 97 HD21 ASN 12 1HD2 ASN 12 -11.537 -18.153 -4.753 98 HD22 ASN 12 2HD2 ASN 12 -13.204 -18.364 -4.351 99 H ALA 13 H ALA 13 -12.727 -15.639 -3.742 100 HA ALA 13 HA ALA 13 -11.593 -15.782 -1.300 101 HB1 ALA 13 1HB ALA 13 -13.779 -17.571 -2.353 102 HB2 ALA 13 2HB ALA 13 -13.385 -17.363 -0.647 103 HB3 ALA 13 3HB ALA 13 -13.973 -15.993 -1.589 104 H ALA 14 H ALA 14 -11.436 -17.914 0.070 105 HA ALA 14 HA ALA 14 -9.081 -19.180 -0.474 106 HB1 ALA 14 1HB ALA 14 -9.832 -20.972 1.071 107 HB2 ALA 14 2HB ALA 14 -10.103 -19.343 1.692 108 HB3 ALA 14 3HB ALA 14 -11.450 -20.272 1.034 109 H THR 15 H THR 15 -8.817 -19.844 -2.586 110 HA THR 15 HA THR 15 -10.252 -22.304 -3.304 111 HB THR 15 HB THR 15 -11.332 -20.562 -4.598 112 HG1 THR 15 HG1 THR 15 -10.485 -21.337 -6.778 113 HG21 THR 15 1HG2 THR 15 -8.793 -19.898 -6.021 114 HG22 THR 15 2HG2 THR 15 -9.142 -19.113 -4.480 115 HG23 THR 15 3HG2 THR 15 -10.261 -18.939 -5.832 116 H GLY 16 H GLY 16 -9.063 -22.858 -5.696 117 HA2 GLY 16 2HA GLY 16 -6.343 -23.472 -4.832 118 HA3 GLY 16 3HA GLY 16 -7.193 -24.198 -6.188 119 H LYS 17 H LYS 17 -7.166 -20.750 -5.803 120 HA LYS 17 HA LYS 17 -4.849 -20.238 -7.376 121 HB2 LYS 17 2HB LYS 17 -5.647 -20.102 -9.472 122 HB3 LYS 17 3HB LYS 17 -6.990 -21.071 -8.880 123 HG2 LYS 17 2HG LYS 17 -7.064 -18.087 -8.699 124 HG3 LYS 17 3HG LYS 17 -7.489 -18.918 -10.196 125 HD2 LYS 17 2HD LYS 17 -8.923 -20.336 -8.371 126 HD3 LYS 17 3HD LYS 17 -8.956 -18.721 -7.659 127 HE2 LYS 17 2HE LYS 17 -9.510 -18.969 -10.566 128 HE3 LYS 17 3HE LYS 17 -10.753 -19.521 -9.444 129 HZ1 LYS 17 1HZ LYS 17 -11.376 -17.410 -9.308 130 HZ2 LYS 17 2HZ LYS 17 -10.010 -16.863 -10.143 131 HZ3 LYS 17 3HZ LYS 17 -9.942 -17.091 -8.468 132 H CYS 18 H CYS 18 -4.196 -18.196 -7.048 133 HA CYS 18 HA CYS 18 -5.935 -15.980 -6.757 134 HB2 CYS 18 2HB CYS 18 -6.499 -16.725 -4.597 135 HB3 CYS 18 3HB CYS 18 -4.854 -17.251 -4.253 136 H GLN 19 H GLN 19 -4.787 -14.392 -7.617 137 HA GLN 19 HA GLN 19 -2.457 -13.313 -6.681 138 HB2 GLN 19 2HB GLN 19 -0.905 -14.180 -8.616 139 HB3 GLN 19 3HB GLN 19 -1.056 -15.086 -7.117 140 HG2 GLN 19 2HG GLN 19 -2.062 -16.824 -8.113 141 HG3 GLN 19 3HG GLN 19 -3.003 -15.796 -9.192 142 HE21 GLN 19 1HE2 GLN 19 -1.004 -14.397 -10.455 143 HE22 GLN 19 2HE2 GLN 19 -0.063 -15.480 -11.417 144 H ARG 20 H ARG 20 -1.143 -12.861 -9.269 145 HA ARG 20 HA ARG 20 -3.249 -11.440 -10.741 146 HB2 ARG 20 2HB ARG 20 -2.155 -9.392 -10.703 147 HB3 ARG 20 3HB ARG 20 -1.887 -9.989 -9.071 148 HG2 ARG 20 2HG ARG 20 0.063 -10.014 -11.362 149 HG3 ARG 20 3HG ARG 20 0.152 -9.053 -9.884 150 HD2 ARG 20 2HD ARG 20 0.512 -12.015 -10.220 151 HD3 ARG 20 3HD ARG 20 1.646 -10.840 -9.558 152 HE ARG 20 HE ARG 20 -0.850 -11.227 -8.112 153 HH11 ARG 20 1HH1 ARG 20 2.554 -11.905 -8.385 154 HH12 ARG 20 2HH1 ARG 20 2.718 -12.411 -6.736 155 HH21 ARG 20 1HH2 ARG 20 -0.646 -11.891 -5.939 156 HH22 ARG 20 2HH2 ARG 20 0.897 -12.404 -5.346 157 H MET 21 H MET 21 -2.199 -10.455 -12.827 158 HA MET 21 HA MET 21 -1.125 -12.668 -14.291 159 HB2 MET 21 2HB MET 21 -2.082 -9.932 -14.923 160 HB3 MET 21 3HB MET 21 -0.939 -10.647 -16.052 161 HG2 MET 21 2HG MET 21 -3.194 -12.357 -15.231 162 HG3 MET 21 3HG MET 21 -3.593 -10.955 -16.221 163 HE1 MET 21 1HE MET 21 -2.143 -14.258 -15.783 164 HE2 MET 21 2HE MET 21 -3.351 -14.621 -17.014 165 HE3 MET 21 3HE MET 21 -1.636 -14.827 -17.374 166 H1 GLY 33 H GLY 33 -27.335 -18.177 -19.293 167 HA2 GLY 33 2HA GLY 33 -27.515 -20.115 -17.096 168 HA3 GLY 33 3HA GLY 33 -28.828 -19.648 -18.166 169 H SER 34 H SER 34 -25.665 -20.435 -19.402 170 HA SER 34 HA SER 34 -26.804 -22.886 -20.571 171 HB2 SER 34 2HB SER 34 -24.362 -21.877 -21.825 172 HB3 SER 34 3HB SER 34 -25.900 -22.328 -22.559 173 HG SER 34 HG SER 34 -25.090 -19.974 -22.496 174 H LYS 35 H LYS 35 -23.827 -21.482 -19.248 175 HA LYS 35 HA LYS 35 -23.092 -24.125 -18.237 176 HB2 LYS 35 2HB LYS 35 -20.721 -23.736 -18.963 177 HB3 LYS 35 3HB LYS 35 -21.850 -24.035 -20.278 178 HG2 LYS 35 2HG LYS 35 -20.857 -22.254 -21.204 179 HG3 LYS 35 3HG LYS 35 -21.941 -21.338 -20.154 180 HD2 LYS 35 2HD LYS 35 -20.246 -20.568 -18.915 181 HD3 LYS 35 3HD LYS 35 -19.498 -22.162 -18.804 182 HE2 LYS 35 2HE LYS 35 -19.328 -20.435 -21.263 183 HE3 LYS 35 3HE LYS 35 -18.141 -20.369 -19.961 184 HZ1 LYS 35 1HZ LYS 35 -17.116 -22.056 -20.933 185 HZ2 LYS 35 2HZ LYS 35 -18.347 -22.228 -22.081 186 HZ3 LYS 35 3HZ LYS 35 -18.450 -23.042 -20.602 187 H LYS 36 H LYS 36 -22.621 -23.981 -16.152 188 HA LYS 36 HA LYS 36 -21.126 -21.711 -15.127 189 HB2 LYS 36 2HB LYS 36 -22.761 -21.316 -13.297 190 HB3 LYS 36 3HB LYS 36 -23.384 -20.896 -14.888 191 HG2 LYS 36 2HG LYS 36 -23.937 -23.604 -13.771 192 HG3 LYS 36 3HG LYS 36 -24.858 -22.215 -13.191 193 HD2 LYS 36 2HD LYS 36 -25.245 -21.703 -15.686 194 HD3 LYS 36 3HD LYS 36 -24.725 -23.367 -15.958 195 HE2 LYS 36 2HE LYS 36 -26.483 -23.964 -14.162 196 HE3 LYS 36 3HE LYS 36 -27.129 -22.355 -14.482 197 HZ1 LYS 36 1HZ LYS 36 -27.383 -22.954 -16.806 198 HZ2 LYS 36 2HZ LYS 36 -28.230 -24.037 -15.821 199 HZ3 LYS 36 3HZ LYS 36 -26.753 -24.496 -16.507 200 HA PRO 37 HA PRO 37 -20.184 -25.891 -13.251 201 HB2 PRO 37 2HB PRO 37 -17.534 -25.850 -13.840 202 HB3 PRO 37 3HB PRO 37 -18.756 -26.480 -14.952 203 HG2 PRO 37 2HG PRO 37 -17.415 -23.803 -14.929 204 HG3 PRO 37 3HG PRO 37 -17.771 -24.865 -16.304 205 HD2 PRO 37 2HD PRO 37 -19.300 -22.716 -15.688 206 HD3 PRO 37 3HD PRO 37 -19.972 -24.189 -16.418 207 H VAL 38 H VAL 38 -18.178 -22.946 -13.244 208 HA VAL 38 HA VAL 38 -17.820 -23.303 -10.338 209 HB VAL 38 HB VAL 38 -15.735 -23.506 -11.793 210 HG11 VAL 38 1HG1 VAL 38 -14.720 -21.486 -12.607 211 HG12 VAL 38 2HG1 VAL 38 -16.338 -21.623 -13.298 212 HG13 VAL 38 3HG1 VAL 38 -16.040 -20.512 -11.961 213 HG21 VAL 38 1HG2 VAL 38 -15.565 -21.285 -9.778 214 HG22 VAL 38 2HG2 VAL 38 -15.871 -22.956 -9.304 215 HG23 VAL 38 3HG2 VAL 38 -14.376 -22.537 -10.140 216 HA PRO 39 HA PRO 39 -20.054 -19.487 -10.020 217 HB2 PRO 39 2HB PRO 39 -19.624 -19.083 -7.370 218 HB3 PRO 39 3HB PRO 39 -20.779 -20.271 -7.986 219 HG2 PRO 39 2HG PRO 39 -17.983 -20.682 -7.000 220 HG3 PRO 39 3HG PRO 39 -19.434 -21.650 -6.683 221 HD2 PRO 39 2HD PRO 39 -17.570 -22.375 -8.508 222 HD3 PRO 39 3HD PRO 39 -19.294 -22.752 -8.703 223 H ILE 40 H ILE 40 -16.712 -19.921 -9.129 224 HA ILE 40 HA ILE 40 -16.303 -17.009 -9.139 225 HB ILE 40 HB ILE 40 -14.387 -17.275 -7.855 226 HG12 ILE 40 2HG1 ILE 40 -14.269 -19.931 -9.151 227 HG13 ILE 40 3HG1 ILE 40 -12.972 -18.806 -8.766 228 HG21 ILE 40 1HG2 ILE 40 -16.027 -19.606 -6.892 229 HG22 ILE 40 2HG2 ILE 40 -15.039 -18.502 -5.937 230 HG23 ILE 40 3HG2 ILE 40 -16.526 -17.927 -6.690 231 HD11 ILE 40 1HD1 ILE 40 -13.213 -19.505 -6.373 232 HD12 ILE 40 2HD1 ILE 40 -14.305 -20.773 -6.932 233 HD13 ILE 40 3HD1 ILE 40 -12.626 -20.753 -7.472 234 H ILE 41 H ILE 41 -15.078 -16.046 -10.662 235 HA ILE 41 HA ILE 41 -13.507 -17.725 -12.483 236 HB ILE 41 HB ILE 41 -14.554 -17.096 -14.382 237 HG12 ILE 41 2HG1 ILE 41 -15.892 -14.618 -13.586 238 HG13 ILE 41 3HG1 ILE 41 -14.144 -14.551 -13.389 239 HG21 ILE 41 1HG2 ILE 41 -16.294 -18.024 -12.826 240 HG22 ILE 41 2HG2 ILE 41 -16.817 -16.365 -12.538 241 HG23 ILE 41 3HG2 ILE 41 -16.919 -17.053 -14.159 242 HD11 ILE 41 1HD1 ILE 41 -15.263 -15.580 -15.944 243 HD12 ILE 41 2HD1 ILE 41 -15.270 -13.843 -15.633 244 HD13 ILE 41 3HD1 ILE 41 -13.748 -14.733 -15.632 245 H TYR 42 H TYR 42 -12.224 -16.220 -14.036 246 HA TYR 42 HA TYR 42 -11.363 -13.780 -12.657 247 HB2 TYR 42 2HB TYR 42 -8.960 -14.512 -13.300 248 HB3 TYR 42 3HB TYR 42 -9.704 -15.219 -11.870 249 HD1 TYR 42 HD1 TYR 42 -10.791 -16.279 -15.189 250 HD2 TYR 42 HD2 TYR 42 -8.164 -17.119 -11.949 251 HE1 TYR 42 HE1 TYR 42 -10.395 -18.528 -16.101 252 HE2 TYR 42 HE2 TYR 42 -7.760 -19.371 -12.853 253 HH TYR 42 HH TYR 42 -8.037 -20.336 -15.580 254 H CYS 43 H CYS 43 -12.702 -12.947 -14.466 255 HA CYS 43 HA CYS 43 -11.154 -12.843 -16.972 256 HB2 CYS 43 2HB CYS 43 -13.276 -13.926 -17.366 257 HB3 CYS 43 3HB CYS 43 -14.139 -12.631 -16.542 258 H ASN 44 H ASN 44 -10.001 -11.010 -16.868 259 HA ASN 44 HA ASN 44 -11.245 -8.584 -15.810 260 HB2 ASN 44 2HB ASN 44 -9.125 -8.808 -14.867 261 HB3 ASN 44 3HB ASN 44 -8.416 -9.415 -16.360 262 HD21 ASN 44 1HD2 ASN 44 -8.231 -7.870 -18.146 263 HD22 ASN 44 2HD2 ASN 44 -7.896 -6.217 -17.772 264 H ALA 45 H ALA 45 -10.623 -6.516 -17.013 265 HA ALA 45 HA ALA 45 -11.912 -6.258 -19.367 266 HB1 ALA 45 1HB ALA 45 -10.561 -4.254 -19.816 267 HB2 ALA 45 2HB ALA 45 -11.071 -4.350 -18.130 268 HB3 ALA 45 3HB ALA 45 -9.415 -4.763 -18.575 269 H ALA 46 H ALA 46 -10.791 -5.547 -21.531 270 HA ALA 46 HA ALA 46 -9.935 -7.754 -22.888 271 HB1 ALA 46 1HB ALA 46 -9.237 -4.874 -23.440 272 HB2 ALA 46 2HB ALA 46 -9.005 -6.199 -24.582 273 HB3 ALA 46 3HB ALA 46 -10.630 -5.768 -24.050 274 H THR 47 H THR 47 -8.405 -8.990 -21.838 275 HA THR 47 HA THR 47 -5.669 -7.933 -21.940 276 HB THR 47 HB THR 47 -6.307 -7.765 -19.605 277 HG1 THR 47 HG1 THR 47 -4.776 -9.594 -18.860 278 HG21 THR 47 1HG2 THR 47 -8.053 -9.686 -19.915 279 HG22 THR 47 2HG2 THR 47 -7.278 -9.447 -18.349 280 HG23 THR 47 3HG2 THR 47 -6.712 -10.722 -19.428 281 H GLY 48 H GLY 48 -4.292 -10.112 -21.044 282 HA2 GLY 48 2HA GLY 48 -4.756 -11.993 -23.229 283 HA3 GLY 48 3HA GLY 48 -3.305 -11.880 -22.244 284 H LYS 49 H LYS 49 -6.434 -11.958 -20.742 285 HA LYS 49 HA LYS 49 -6.574 -14.781 -20.388 286 HB2 LYS 49 2HB LYS 49 -5.387 -15.101 -18.525 287 HB3 LYS 49 3HB LYS 49 -4.787 -13.455 -18.680 288 HG2 LYS 49 2HG LYS 49 -7.426 -13.885 -17.380 289 HG3 LYS 49 3HG LYS 49 -5.961 -14.287 -16.482 290 HD2 LYS 49 2HD LYS 49 -5.116 -11.991 -16.973 291 HD3 LYS 49 3HD LYS 49 -6.687 -11.619 -17.688 292 HE2 LYS 49 2HE LYS 49 -7.452 -11.096 -15.671 293 HE3 LYS 49 3HE LYS 49 -7.187 -12.762 -15.159 294 HZ1 LYS 49 1HZ LYS 49 -4.978 -12.203 -14.461 295 HZ2 LYS 49 2HZ LYS 49 -6.058 -11.116 -13.743 296 HZ3 LYS 49 3HZ LYS 49 -5.123 -10.630 -15.067 297 H CYS 50 H CYS 50 -8.608 -15.336 -19.885 298 HA CYS 50 HA CYS 50 -10.300 -13.860 -18.162 299 HB2 CYS 50 2HB CYS 50 -10.588 -12.238 -19.839 300 HB3 CYS 50 3HB CYS 50 -10.615 -13.442 -21.123 301 H GLN 51 H GLN 51 -11.477 -15.402 -17.260 302 HA GLN 51 HA GLN 51 -13.309 -17.032 -18.467 303 HB2 GLN 51 2HB GLN 51 -11.954 -19.270 -18.228 304 HB3 GLN 51 3HB GLN 51 -11.857 -18.321 -19.705 305 HG2 GLN 51 2HG GLN 51 -9.694 -17.825 -19.401 306 HG3 GLN 51 3HG GLN 51 -9.879 -17.615 -17.661 307 HE21 GLN 51 1HE2 GLN 51 -10.877 -20.071 -16.941 308 HE22 GLN 51 2HE2 GLN 51 -9.679 -21.284 -17.220 309 H ARG 52 H ARG 52 -12.709 -19.492 -16.966 310 HA ARG 52 HA ARG 52 -12.785 -18.525 -14.198 311 HB2 ARG 52 2HB ARG 52 -14.796 -19.564 -13.673 312 HB3 ARG 52 3HB ARG 52 -15.115 -18.912 -15.275 313 HG2 ARG 52 2HG ARG 52 -14.467 -21.761 -14.561 314 HG3 ARG 52 3HG ARG 52 -15.993 -21.125 -15.177 315 HD2 ARG 52 2HD ARG 52 -13.373 -21.421 -16.618 316 HD3 ARG 52 3HD ARG 52 -14.930 -22.145 -17.018 317 HE ARG 52 HE ARG 52 -14.762 -19.241 -17.105 318 HH11 ARG 52 1HH1 ARG 52 -14.765 -22.263 -18.833 319 HH12 ARG 52 2HH1 ARG 52 -15.148 -21.540 -20.360 320 HH21 ARG 52 1HH2 ARG 52 -15.267 -18.276 -19.110 321 HH22 ARG 52 2HH2 ARG 52 -15.432 -19.272 -20.516 322 H MET 53 H MET 53 -12.875 -20.546 -12.678 323 HA MET 53 HA MET 53 -10.584 -22.158 -13.379 324 HB2 MET 53 2HB MET 53 -12.049 -21.466 -10.937 325 HB3 MET 53 3HB MET 53 -11.498 -23.135 -10.975 326 HG2 MET 53 2HG MET 53 -9.672 -20.825 -11.546 327 HG3 MET 53 3HG MET 53 -9.951 -21.438 -9.918 328 HE1 MET 53 1HE MET 53 -6.766 -21.660 -11.721 329 HE2 MET 53 2HE MET 53 -7.120 -22.806 -13.013 330 HE3 MET 53 3HE MET 53 -8.081 -21.335 -12.851 Start of MODEL 3 1 H1 GLY 1 H GLY 1 2.648 2.007 -1.496 2 HA2 GLY 1 2HA GLY 1 1.139 -0.185 -0.709 3 HA3 GLY 1 3HA GLY 1 1.212 -0.245 -2.464 4 H SER 2 H SER 2 2.257 -2.338 -1.221 5 HA SER 2 HA SER 2 5.134 -1.892 -0.929 6 HB2 SER 2 2HB SER 2 5.031 -4.406 -0.282 7 HB3 SER 2 3HB SER 2 4.380 -3.218 0.846 8 HG SER 2 HG SER 2 3.054 -5.162 0.285 9 H LYS 3 H LYS 3 2.855 -3.909 -2.757 10 HA LYS 3 HA LYS 3 4.804 -4.050 -4.931 11 HB2 LYS 3 2HB LYS 3 3.353 -6.509 -3.952 12 HB3 LYS 3 3HB LYS 3 4.591 -6.424 -5.198 13 HG2 LYS 3 2HG LYS 3 5.885 -7.155 -3.499 14 HG3 LYS 3 3HG LYS 3 5.995 -5.425 -3.167 15 HD2 LYS 3 2HD LYS 3 5.437 -6.207 -1.086 16 HD3 LYS 3 3HD LYS 3 3.829 -5.899 -1.746 17 HE2 LYS 3 2HE LYS 3 3.310 -8.025 -1.370 18 HE3 LYS 3 3HE LYS 3 4.537 -8.503 -2.542 19 HZ1 LYS 3 1HZ LYS 3 4.740 -9.489 -0.252 20 HZ2 LYS 3 2HZ LYS 3 5.180 -7.951 0.296 21 HZ3 LYS 3 3HZ LYS 3 6.134 -8.744 -0.854 22 H LYS 4 H LYS 4 3.856 -3.482 -6.766 23 HA LYS 4 HA LYS 4 1.151 -4.357 -7.363 24 HB2 LYS 4 2HB LYS 4 0.419 -2.062 -7.969 25 HB3 LYS 4 3HB LYS 4 0.707 -2.263 -6.246 26 HG2 LYS 4 2HG LYS 4 2.896 -1.212 -7.972 27 HG3 LYS 4 3HG LYS 4 1.568 -0.146 -7.504 28 HD2 LYS 4 2HD LYS 4 2.032 -0.938 -5.110 29 HD3 LYS 4 3HD LYS 4 3.558 -1.553 -5.748 30 HE2 LYS 4 2HE LYS 4 2.825 1.246 -6.402 31 HE3 LYS 4 3HE LYS 4 3.309 0.900 -4.743 32 HZ1 LYS 4 1HZ LYS 4 4.902 0.988 -7.141 33 HZ2 LYS 4 2HZ LYS 4 5.196 -0.376 -6.185 34 HZ3 LYS 4 3HZ LYS 4 5.368 1.172 -5.525 35 HA PRO 5 HA PRO 5 4.176 -4.236 -10.929 36 HB2 PRO 5 2HB PRO 5 3.895 -6.852 -11.598 37 HB3 PRO 5 3HB PRO 5 5.074 -6.286 -10.409 38 HG2 PRO 5 2HG PRO 5 2.376 -7.504 -9.968 39 HG3 PRO 5 3HG PRO 5 3.898 -7.818 -9.115 40 HD2 PRO 5 2HD PRO 5 1.964 -6.215 -8.103 41 HD3 PRO 5 3HD PRO 5 3.691 -5.940 -7.794 42 H VAL 6 H VAL 6 1.132 -6.074 -10.674 43 HA VAL 6 HA VAL 6 0.331 -4.933 -13.271 44 HB VAL 6 HB VAL 6 0.839 -7.455 -13.220 45 HG11 VAL 6 1HG1 VAL 6 -0.363 -7.849 -11.079 46 HG12 VAL 6 2HG1 VAL 6 -1.881 -7.527 -11.920 47 HG13 VAL 6 3HG1 VAL 6 -0.885 -8.905 -12.391 48 HG21 VAL 6 1HG2 VAL 6 -0.793 -7.877 -14.870 49 HG22 VAL 6 2HG2 VAL 6 -1.926 -6.729 -14.156 50 HG23 VAL 6 3HG2 VAL 6 -0.468 -6.145 -14.959 51 HA PRO 7 HA PRO 7 -3.053 -3.260 -10.958 52 HB2 PRO 7 2HB PRO 7 -4.535 -2.436 -13.078 53 HB3 PRO 7 3HB PRO 7 -3.086 -1.585 -12.531 54 HG2 PRO 7 2HG PRO 7 -3.404 -3.529 -14.785 55 HG3 PRO 7 3HG PRO 7 -2.500 -2.004 -14.742 56 HD2 PRO 7 2HD PRO 7 -1.300 -4.417 -14.478 57 HD3 PRO 7 3HD PRO 7 -0.698 -2.958 -13.667 58 H ILE 8 H ILE 8 -3.402 -5.688 -13.450 59 HA ILE 8 HA ILE 8 -6.082 -6.368 -12.457 60 HB ILE 8 HB ILE 8 -6.523 -7.467 -14.467 61 HG12 ILE 8 2HG1 ILE 8 -3.561 -7.719 -14.627 62 HG13 ILE 8 3HG1 ILE 8 -4.810 -8.918 -14.946 63 HG21 ILE 8 1HG2 ILE 8 -4.693 -5.277 -15.409 64 HG22 ILE 8 2HG2 ILE 8 -6.193 -5.841 -16.143 65 HG23 ILE 8 3HG2 ILE 8 -6.236 -4.954 -14.619 66 HD11 ILE 8 1HD1 ILE 8 -3.787 -6.757 -16.746 67 HD12 ILE 8 2HD1 ILE 8 -3.844 -8.499 -17.021 68 HD13 ILE 8 3HD1 ILE 8 -5.333 -7.554 -17.035 69 H ILE 9 H ILE 9 -6.390 -8.118 -11.244 70 HA ILE 9 HA ILE 9 -4.410 -10.282 -11.321 71 HB ILE 9 HB ILE 9 -3.907 -10.243 -9.119 72 HG12 ILE 9 2HG1 ILE 9 -6.167 -8.789 -7.966 73 HG13 ILE 9 3HG1 ILE 9 -6.655 -10.249 -8.818 74 HG21 ILE 9 1HG2 ILE 9 -4.942 -7.421 -9.202 75 HG22 ILE 9 2HG2 ILE 9 -3.562 -8.052 -8.304 76 HG23 ILE 9 3HG2 ILE 9 -3.491 -7.936 -10.062 77 HD11 ILE 9 1HD1 ILE 9 -5.550 -11.629 -7.360 78 HD12 ILE 9 2HD1 ILE 9 -4.403 -10.379 -6.876 79 HD13 ILE 9 3HD1 ILE 9 -6.065 -10.327 -6.287 80 H TYR 10 H TYR 10 -5.268 -12.195 -9.940 81 HA TYR 10 HA TYR 10 -8.182 -12.428 -10.159 82 HB2 TYR 10 2HB TYR 10 -7.736 -14.814 -11.048 83 HB3 TYR 10 3HB TYR 10 -7.589 -13.466 -12.170 84 HD1 TYR 10 HD1 TYR 10 -6.216 -14.874 -13.654 85 HD2 TYR 10 HD2 TYR 10 -4.978 -13.965 -9.686 86 HE1 TYR 10 HE1 TYR 10 -3.929 -15.586 -14.212 87 HE2 TYR 10 HE2 TYR 10 -2.687 -14.673 -10.233 88 HH TYR 10 HH TYR 10 -1.874 -16.521 -12.701 89 H CYS 11 H CYS 11 -7.846 -12.119 -7.809 90 HA CYS 11 HA CYS 11 -7.104 -14.653 -6.498 91 HB2 CYS 11 2HB CYS 11 -5.555 -12.912 -5.849 92 HB3 CYS 11 3HB CYS 11 -6.882 -11.824 -5.456 93 H ASN 12 H ASN 12 -8.995 -15.679 -6.198 94 HA ASN 12 HA ASN 12 -11.308 -14.167 -5.233 95 HB2 ASN 12 2HB ASN 12 -11.997 -15.525 -6.999 96 HB3 ASN 12 3HB ASN 12 -10.957 -16.859 -6.509 97 HD21 ASN 12 1HD2 ASN 12 -11.541 -17.980 -4.512 98 HD22 ASN 12 2HD2 ASN 12 -13.215 -18.144 -4.116 99 H ALA 13 H ALA 13 -12.701 -15.393 -3.597 100 HA ALA 13 HA ALA 13 -11.594 -15.456 -1.139 101 HB1 ALA 13 1HB ALA 13 -13.996 -15.660 -1.548 102 HB2 ALA 13 2HB ALA 13 -13.766 -17.327 -2.075 103 HB3 ALA 13 3HB ALA 13 -13.431 -16.877 -0.403 104 H ALA 14 H ALA 14 -11.501 -17.545 0.313 105 HA ALA 14 HA ALA 14 -9.158 -18.865 -0.141 106 HB1 ALA 14 1HB ALA 14 -11.575 -19.883 1.346 107 HB2 ALA 14 2HB ALA 14 -9.961 -20.588 1.450 108 HB3 ALA 14 3HB ALA 14 -10.240 -18.938 2.007 109 H THR 15 H THR 15 -8.861 -19.600 -2.224 110 HA THR 15 HA THR 15 -10.323 -22.056 -2.897 111 HB THR 15 HB THR 15 -11.339 -20.348 -4.277 112 HG1 THR 15 HG1 THR 15 -10.672 -21.221 -6.371 113 HG21 THR 15 1HG2 THR 15 -10.212 -18.774 -5.529 114 HG22 THR 15 2HG2 THR 15 -8.746 -19.749 -5.631 115 HG23 THR 15 3HG2 THR 15 -9.147 -18.913 -4.131 116 H GLY 16 H GLY 16 -9.084 -22.700 -5.246 117 HA2 GLY 16 2HA GLY 16 -6.396 -23.335 -4.291 118 HA3 GLY 16 3HA GLY 16 -7.229 -24.100 -5.637 119 H LYS 17 H LYS 17 -7.171 -20.642 -5.403 120 HA LYS 17 HA LYS 17 -4.803 -20.219 -6.925 121 HB2 LYS 17 2HB LYS 17 -5.541 -20.087 -9.056 122 HB3 LYS 17 3HB LYS 17 -6.821 -21.147 -8.481 123 HG2 LYS 17 2HG LYS 17 -7.085 -18.160 -8.423 124 HG3 LYS 17 3HG LYS 17 -7.509 -19.118 -9.843 125 HD2 LYS 17 2HD LYS 17 -8.741 -20.422 -7.715 126 HD3 LYS 17 3HD LYS 17 -8.980 -18.705 -7.386 127 HE2 LYS 17 2HE LYS 17 -9.438 -19.540 -10.172 128 HE3 LYS 17 3HE LYS 17 -10.575 -20.189 -8.992 129 HZ1 LYS 17 1HZ LYS 17 -9.923 -17.305 -9.235 130 HZ2 LYS 17 2HZ LYS 17 -11.153 -18.002 -8.305 131 HZ3 LYS 17 3HZ LYS 17 -11.248 -18.035 -9.994 132 H CYS 18 H CYS 18 -4.141 -18.177 -6.641 133 HA CYS 18 HA CYS 18 -5.876 -15.936 -6.517 134 HB2 CYS 18 2HB CYS 18 -6.512 -16.558 -4.345 135 HB3 CYS 18 3HB CYS 18 -4.892 -17.112 -3.931 136 H GLN 19 H GLN 19 -4.692 -14.401 -7.421 137 HA GLN 19 HA GLN 19 -2.388 -13.284 -6.467 138 HB2 GLN 19 2HB GLN 19 -0.778 -14.256 -8.304 139 HB3 GLN 19 3HB GLN 19 -0.982 -15.082 -6.765 140 HG2 GLN 19 2HG GLN 19 -1.938 -16.871 -7.707 141 HG3 GLN 19 3HG GLN 19 -2.877 -15.901 -8.840 142 HE21 GLN 19 1HE2 GLN 19 -0.868 -14.540 -10.137 143 HE22 GLN 19 2HE2 GLN 19 0.090 -15.657 -11.043 144 H ARG 20 H ARG 20 -0.990 -12.983 -9.041 145 HA ARG 20 HA ARG 20 -3.031 -11.676 -10.687 146 HB2 ARG 20 2HB ARG 20 -2.036 -9.582 -10.661 147 HB3 ARG 20 3HB ARG 20 -1.840 -10.100 -8.992 148 HG2 ARG 20 2HG ARG 20 0.240 -10.112 -11.164 149 HG3 ARG 20 3HG ARG 20 0.202 -9.108 -9.713 150 HD2 ARG 20 2HD ARG 20 0.699 -12.063 -9.934 151 HD3 ARG 20 3HD ARG 20 1.754 -10.822 -9.259 152 HE ARG 20 HE ARG 20 -0.796 -11.262 -7.924 153 HH11 ARG 20 1HH1 ARG 20 2.642 -11.807 -8.006 154 HH12 ARG 20 2HH1 ARG 20 2.743 -12.250 -6.334 155 HH21 ARG 20 1HH2 ARG 20 -0.675 -11.844 -5.722 156 HH22 ARG 20 2HH2 ARG 20 0.856 -12.271 -5.036 157 H MET 21 H MET 21 -1.883 -10.748 -12.742 158 HA MET 21 HA MET 21 0.470 -12.112 -13.623 159 HB2 MET 21 2HB MET 21 -0.365 -13.759 -14.955 160 HB3 MET 21 3HB MET 21 -1.659 -13.723 -13.765 161 HG2 MET 21 2HG MET 21 -2.924 -13.628 -15.629 162 HG3 MET 21 3HG MET 21 -2.619 -11.903 -15.442 163 HE1 MET 21 1HE MET 21 -1.524 -14.912 -18.405 164 HE2 MET 21 2HE MET 21 0.041 -14.675 -17.627 165 HE3 MET 21 3HE MET 21 -1.367 -15.119 -16.660 166 H1 GLY 33 H GLY 33 -26.977 -17.730 -19.382 167 HA2 GLY 33 2HA GLY 33 -27.663 -19.535 -17.150 168 HA3 GLY 33 3HA GLY 33 -28.819 -18.903 -18.313 169 H SER 34 H SER 34 -25.633 -20.330 -18.912 170 HA SER 34 HA SER 34 -26.963 -22.586 -20.252 171 HB2 SER 34 2HB SER 34 -25.665 -20.525 -21.591 172 HB3 SER 34 3HB SER 34 -24.460 -21.812 -21.531 173 HG SER 34 HG SER 34 -26.250 -23.197 -22.314 174 H LYS 35 H LYS 35 -23.911 -21.329 -18.950 175 HA LYS 35 HA LYS 35 -23.352 -23.978 -17.847 176 HB2 LYS 35 2HB LYS 35 -20.985 -23.830 -18.580 177 HB3 LYS 35 3HB LYS 35 -22.113 -23.978 -19.921 178 HG2 LYS 35 2HG LYS 35 -21.791 -21.230 -19.502 179 HG3 LYS 35 3HG LYS 35 -20.176 -21.933 -19.385 180 HD2 LYS 35 2HD LYS 35 -21.052 -23.240 -21.548 181 HD3 LYS 35 3HD LYS 35 -22.022 -21.773 -21.697 182 HE2 LYS 35 2HE LYS 35 -20.083 -21.290 -22.901 183 HE3 LYS 35 3HE LYS 35 -19.817 -20.514 -21.341 184 HZ1 LYS 35 1HZ LYS 35 -18.632 -23.029 -22.354 185 HZ2 LYS 35 2HZ LYS 35 -18.607 -22.625 -20.712 186 HZ3 LYS 35 3HZ LYS 35 -17.835 -21.628 -21.840 187 H LYS 36 H LYS 36 -22.891 -23.794 -15.763 188 HA LYS 36 HA LYS 36 -21.300 -21.547 -14.809 189 HB2 LYS 36 2HB LYS 36 -23.870 -22.227 -13.396 190 HB3 LYS 36 3HB LYS 36 -22.837 -20.822 -13.166 191 HG2 LYS 36 2HG LYS 36 -24.562 -19.905 -14.351 192 HG3 LYS 36 3HG LYS 36 -23.457 -20.331 -15.659 193 HD2 LYS 36 2HD LYS 36 -25.233 -21.367 -16.556 194 HD3 LYS 36 3HD LYS 36 -24.902 -22.631 -15.368 195 HE2 LYS 36 2HE LYS 36 -26.377 -21.049 -13.834 196 HE3 LYS 36 3HE LYS 36 -27.020 -20.545 -15.396 197 HZ1 LYS 36 1HZ LYS 36 -26.903 -23.323 -15.410 198 HZ2 LYS 36 2HZ LYS 36 -28.283 -22.346 -15.381 199 HZ3 LYS 36 3HZ LYS 36 -27.594 -22.878 -13.931 200 HA PRO 37 HA PRO 37 -20.376 -25.707 -12.883 201 HB2 PRO 37 2HB PRO 37 -17.734 -25.703 -13.511 202 HB3 PRO 37 3HB PRO 37 -18.978 -26.335 -14.596 203 HG2 PRO 37 2HG PRO 37 -17.610 -23.673 -14.630 204 HG3 PRO 37 3HG PRO 37 -17.997 -24.749 -15.985 205 HD2 PRO 37 2HD PRO 37 -19.494 -22.577 -15.377 206 HD3 PRO 37 3HD PRO 37 -20.192 -24.052 -16.077 207 H VAL 38 H VAL 38 -18.315 -22.800 -12.951 208 HA VAL 38 HA VAL 38 -17.962 -23.092 -10.038 209 HB VAL 38 HB VAL 38 -15.884 -23.429 -11.482 210 HG11 VAL 38 1HG1 VAL 38 -16.403 -21.560 -13.038 211 HG12 VAL 38 2HG1 VAL 38 -16.053 -20.429 -11.729 212 HG13 VAL 38 3HG1 VAL 38 -14.781 -21.482 -12.351 213 HG21 VAL 38 1HG2 VAL 38 -16.006 -22.804 -9.010 214 HG22 VAL 38 2HG2 VAL 38 -14.489 -22.481 -9.850 215 HG23 VAL 38 3HG2 VAL 38 -15.616 -21.164 -9.528 216 HA PRO 39 HA PRO 39 -20.032 -19.176 -9.852 217 HB2 PRO 39 2HB PRO 39 -19.601 -18.711 -7.212 218 HB3 PRO 39 3HB PRO 39 -20.803 -19.866 -7.800 219 HG2 PRO 39 2HG PRO 39 -18.033 -20.369 -6.783 220 HG3 PRO 39 3HG PRO 39 -19.527 -21.262 -6.447 221 HD2 PRO 39 2HD PRO 39 -17.685 -22.123 -8.236 222 HD3 PRO 39 3HD PRO 39 -19.423 -22.430 -8.432 223 H ILE 40 H ILE 40 -16.717 -19.729 -8.929 224 HA ILE 40 HA ILE 40 -16.182 -16.838 -9.034 225 HB ILE 40 HB ILE 40 -14.307 -17.131 -7.704 226 HG12 ILE 40 2HG1 ILE 40 -14.265 -19.839 -8.902 227 HG13 ILE 40 3HG1 ILE 40 -12.936 -18.738 -8.559 228 HG21 ILE 40 1HG2 ILE 40 -16.059 -19.366 -6.708 229 HG22 ILE 40 2HG2 ILE 40 -15.023 -18.299 -5.762 230 HG23 ILE 40 3HG2 ILE 40 -16.470 -17.659 -6.541 231 HD11 ILE 40 1HD1 ILE 40 -14.327 -20.600 -6.661 232 HD12 ILE 40 2HD1 ILE 40 -12.639 -20.620 -7.174 233 HD13 ILE 40 3HD1 ILE 40 -13.229 -19.325 -6.133 234 H ILE 41 H ILE 41 -14.919 -15.990 -10.589 235 HA ILE 41 HA ILE 41 -13.376 -17.800 -12.306 236 HB ILE 41 HB ILE 41 -14.392 -17.251 -14.242 237 HG12 ILE 41 2HG1 ILE 41 -15.635 -14.678 -13.633 238 HG13 ILE 41 3HG1 ILE 41 -13.893 -14.665 -13.382 239 HG21 ILE 41 1HG2 ILE 41 -16.760 -17.069 -14.048 240 HG22 ILE 41 2HG2 ILE 41 -16.188 -18.014 -12.674 241 HG23 ILE 41 3HG2 ILE 41 -16.631 -16.321 -12.456 242 HD11 ILE 41 1HD1 ILE 41 -14.898 -14.043 -15.697 243 HD12 ILE 41 2HD1 ILE 41 -13.437 -15.027 -15.600 244 HD13 ILE 41 3HD1 ILE 41 -14.996 -15.791 -15.908 245 H TYR 42 H TYR 42 -12.021 -16.419 -13.903 246 HA TYR 42 HA TYR 42 -11.128 -13.921 -12.660 247 HB2 TYR 42 2HB TYR 42 -8.725 -14.758 -13.157 248 HB3 TYR 42 3HB TYR 42 -9.539 -15.342 -11.710 249 HD1 TYR 42 HD1 TYR 42 -10.572 -16.623 -14.960 250 HD2 TYR 42 HD2 TYR 42 -8.016 -17.268 -11.620 251 HE1 TYR 42 HE1 TYR 42 -10.207 -18.942 -15.695 252 HE2 TYR 42 HE2 TYR 42 -7.643 -19.588 -12.346 253 HH TYR 42 HH TYR 42 -8.056 -20.716 -15.187 254 H CYS 43 H CYS 43 -12.372 -13.181 -14.571 255 HA CYS 43 HA CYS 43 -10.726 -13.289 -17.014 256 HB2 CYS 43 2HB CYS 43 -12.860 -14.377 -17.394 257 HB3 CYS 43 3HB CYS 43 -13.723 -12.986 -16.747 258 H ASN 44 H ASN 44 -9.547 -11.467 -16.969 259 HA ASN 44 HA ASN 44 -10.839 -8.951 -16.201 260 HB2 ASN 44 2HB ASN 44 -8.832 -9.119 -15.028 261 HB3 ASN 44 3HB ASN 44 -7.984 -9.854 -16.386 262 HD21 ASN 44 1HD2 ASN 44 -7.562 -8.469 -18.249 263 HD22 ASN 44 2HD2 ASN 44 -7.246 -6.792 -17.981 264 H ALA 45 H ALA 45 -10.028 -6.995 -17.494 265 HA ALA 45 HA ALA 45 -11.075 -6.904 -19.978 266 HB1 ALA 45 1HB ALA 45 -8.556 -5.372 -19.643 267 HB2 ALA 45 2HB ALA 45 -10.141 -4.840 -20.205 268 HB3 ALA 45 3HB ALA 45 -9.853 -5.085 -18.483 269 H ALA 46 H ALA 46 -9.715 -6.388 -22.066 270 HA ALA 46 HA ALA 46 -8.805 -8.718 -23.156 271 HB1 ALA 46 1HB ALA 46 -7.969 -5.907 -23.849 272 HB2 ALA 46 2HB ALA 46 -7.646 -7.320 -24.854 273 HB3 ALA 46 3HB ALA 46 -9.309 -6.824 -24.539 274 H THR 47 H THR 47 -7.435 -9.906 -21.857 275 HA THR 47 HA THR 47 -4.668 -8.928 -21.750 276 HB THR 47 HB THR 47 -5.527 -8.584 -19.512 277 HG1 THR 47 HG1 THR 47 -3.487 -9.270 -19.296 278 HG21 THR 47 1HG2 THR 47 -6.730 -10.109 -18.279 279 HG22 THR 47 2HG2 THR 47 -6.061 -11.495 -19.140 280 HG23 THR 47 3HG2 THR 47 -7.296 -10.494 -19.904 281 H GLY 48 H GLY 48 -3.460 -11.074 -20.573 282 HA2 GLY 48 2HA GLY 48 -3.756 -13.089 -22.665 283 HA3 GLY 48 3HA GLY 48 -2.408 -12.940 -21.549 284 H LYS 49 H LYS 49 -5.656 -12.831 -20.343 285 HA LYS 49 HA LYS 49 -5.940 -15.619 -19.836 286 HB2 LYS 49 2HB LYS 49 -5.101 -15.874 -17.763 287 HB3 LYS 49 3HB LYS 49 -4.168 -14.429 -18.127 288 HG2 LYS 49 2HG LYS 49 -6.892 -14.244 -16.897 289 HG3 LYS 49 3HG LYS 49 -5.453 -14.526 -15.914 290 HD2 LYS 49 2HD LYS 49 -4.666 -12.440 -17.497 291 HD3 LYS 49 3HD LYS 49 -6.378 -12.088 -17.247 292 HE2 LYS 49 2HE LYS 49 -4.712 -12.872 -14.904 293 HE3 LYS 49 3HE LYS 49 -4.547 -11.242 -15.555 294 HZ1 LYS 49 1HZ LYS 49 -6.557 -10.647 -14.797 295 HZ2 LYS 49 2HZ LYS 49 -6.370 -11.951 -13.737 296 HZ3 LYS 49 3HZ LYS 49 -7.271 -12.138 -15.156 297 H CYS 50 H CYS 50 -8.031 -16.066 -19.487 298 HA CYS 50 HA CYS 50 -9.797 -14.424 -18.001 299 HB2 CYS 50 2HB CYS 50 -9.875 -12.904 -19.794 300 HB3 CYS 50 3HB CYS 50 -9.850 -14.188 -20.999 301 H GLN 51 H GLN 51 -11.091 -15.874 -17.105 302 HA GLN 51 HA GLN 51 -12.899 -17.499 -18.346 303 HB2 GLN 51 2HB GLN 51 -11.666 -19.772 -17.925 304 HB3 GLN 51 3HB GLN 51 -11.412 -18.892 -19.426 305 HG2 GLN 51 2HG GLN 51 -9.254 -18.514 -18.986 306 HG3 GLN 51 3HG GLN 51 -9.560 -18.162 -17.285 307 HE21 GLN 51 1HE2 GLN 51 -10.739 -20.503 -16.469 308 HE22 GLN 51 2HE2 GLN 51 -9.591 -21.790 -16.562 309 H ARG 52 H ARG 52 -12.523 -19.897 -16.699 310 HA ARG 52 HA ARG 52 -12.664 -18.820 -13.981 311 HB2 ARG 52 2HB ARG 52 -14.793 -19.618 -13.520 312 HB3 ARG 52 3HB ARG 52 -14.972 -19.019 -15.164 313 HG2 ARG 52 2HG ARG 52 -14.641 -21.879 -14.294 314 HG3 ARG 52 3HG ARG 52 -16.074 -21.128 -15.001 315 HD2 ARG 52 2HD ARG 52 -13.450 -21.771 -16.312 316 HD3 ARG 52 3HD ARG 52 -15.066 -22.317 -16.760 317 HE ARG 52 HE ARG 52 -14.537 -19.459 -16.939 318 HH11 ARG 52 1HH1 ARG 52 -14.841 -22.525 -18.560 319 HH12 ARG 52 2HH1 ARG 52 -15.068 -21.822 -20.127 320 HH21 ARG 52 1HH2 ARG 52 -14.834 -18.521 -18.997 321 HH22 ARG 52 2HH2 ARG 52 -15.062 -19.544 -20.374 322 H MET 53 H MET 53 -12.981 -20.736 -12.387 323 HA MET 53 HA MET 53 -11.142 -22.871 -13.235 324 HB2 MET 53 2HB MET 53 -11.565 -21.435 -10.659 325 HB3 MET 53 3HB MET 53 -11.063 -23.119 -10.587 326 HG2 MET 53 2HG MET 53 -9.608 -20.976 -12.116 327 HG3 MET 53 3HG MET 53 -9.196 -21.497 -10.484 328 HE1 MET 53 1HE MET 53 -6.892 -24.234 -10.880 329 HE2 MET 53 2HE MET 53 -6.542 -22.521 -11.108 330 HE3 MET 53 3HE MET 53 -7.725 -23.027 -9.901 Start of MODEL 4 1 H1 GLY 1 H GLY 1 4.089 -0.540 -1.229 2 HA2 GLY 1 2HA GLY 1 6.057 0.118 -2.957 3 HA3 GLY 1 3HA GLY 1 6.336 0.014 -1.225 4 H SER 2 H SER 2 5.456 -2.893 -2.828 5 HA SER 2 HA SER 2 8.253 -3.803 -2.658 6 HB2 SER 2 2HB SER 2 5.684 -5.363 -2.304 7 HB3 SER 2 3HB SER 2 7.290 -6.090 -2.347 8 HG SER 2 HG SER 2 6.330 -4.193 -0.466 9 H LYS 3 H LYS 3 5.361 -5.131 -4.240 10 HA LYS 3 HA LYS 3 6.642 -4.815 -6.849 11 HB2 LYS 3 2HB LYS 3 5.502 -7.466 -5.959 12 HB3 LYS 3 3HB LYS 3 6.349 -7.118 -7.460 13 HG2 LYS 3 2HG LYS 3 8.065 -8.058 -6.342 14 HG3 LYS 3 3HG LYS 3 8.257 -6.413 -5.732 15 HD2 LYS 3 2HD LYS 3 8.295 -7.596 -3.766 16 HD3 LYS 3 3HD LYS 3 6.570 -7.243 -3.894 17 HE2 LYS 3 2HE LYS 3 6.104 -9.427 -4.715 18 HE3 LYS 3 3HE LYS 3 7.817 -9.780 -4.933 19 HZ1 LYS 3 1HZ LYS 3 6.802 -9.124 -2.252 20 HZ2 LYS 3 2HZ LYS 3 8.135 -10.067 -2.691 21 HZ3 LYS 3 3HZ LYS 3 6.569 -10.682 -2.869 22 H LYS 4 H LYS 4 5.231 -3.988 -8.233 23 HA LYS 4 HA LYS 4 2.445 -4.837 -8.168 24 HB2 LYS 4 2HB LYS 4 3.076 -1.894 -8.236 25 HB3 LYS 4 3HB LYS 4 1.518 -2.671 -7.984 26 HG2 LYS 4 2HG LYS 4 2.019 -2.002 -5.857 27 HG3 LYS 4 3HG LYS 4 2.682 -3.638 -5.851 28 HD2 LYS 4 2HD LYS 4 4.555 -2.654 -5.100 29 HD3 LYS 4 3HD LYS 4 4.794 -2.186 -6.785 30 HE2 LYS 4 2HE LYS 4 3.084 -0.428 -5.125 31 HE3 LYS 4 3HE LYS 4 4.811 -0.430 -4.771 32 HZ1 LYS 4 1HZ LYS 4 3.675 1.105 -6.632 33 HZ2 LYS 4 2HZ LYS 4 4.117 -0.226 -7.578 34 HZ3 LYS 4 3HZ LYS 4 5.291 0.607 -6.688 35 HA PRO 5 HA PRO 5 4.338 -4.261 -12.405 36 HB2 PRO 5 2HB PRO 5 3.788 -6.772 -13.278 37 HB3 PRO 5 3HB PRO 5 5.274 -6.360 -12.414 38 HG2 PRO 5 2HG PRO 5 2.768 -7.625 -11.375 39 HG3 PRO 5 3HG PRO 5 4.457 -8.044 -11.034 40 HD2 PRO 5 2HD PRO 5 2.946 -6.583 -9.327 41 HD3 PRO 5 3HD PRO 5 4.698 -6.348 -9.492 42 H VAL 6 H VAL 6 1.452 -6.196 -11.587 43 HA VAL 6 HA VAL 6 0.022 -4.840 -13.776 44 HB VAL 6 HB VAL 6 0.211 -7.327 -13.950 45 HG11 VAL 6 1HG1 VAL 6 -1.695 -7.388 -11.619 46 HG12 VAL 6 2HG1 VAL 6 -0.975 -8.759 -12.464 47 HG13 VAL 6 3HG1 VAL 6 0.033 -7.704 -11.473 48 HG21 VAL 6 1HG2 VAL 6 -1.697 -5.867 -14.859 49 HG22 VAL 6 2HG2 VAL 6 -1.955 -7.609 -14.779 50 HG23 VAL 6 3HG2 VAL 6 -2.661 -6.556 -13.553 51 HA PRO 7 HA PRO 7 -2.300 -2.814 -10.578 52 HB2 PRO 7 2HB PRO 7 -4.108 -1.628 -12.220 53 HB3 PRO 7 3HB PRO 7 -2.451 -1.042 -12.033 54 HG2 PRO 7 2HG PRO 7 -3.623 -2.748 -14.195 55 HG3 PRO 7 3HG PRO 7 -2.503 -1.380 -14.333 56 HD2 PRO 7 2HD PRO 7 -1.679 -3.956 -14.465 57 HD3 PRO 7 3HD PRO 7 -0.669 -2.664 -13.785 58 H ILE 8 H ILE 8 -3.583 -5.043 -12.924 59 HA ILE 8 HA ILE 8 -6.061 -5.335 -11.376 60 HB ILE 8 HB ILE 8 -7.101 -6.208 -13.232 61 HG12 ILE 8 2HG1 ILE 8 -4.427 -7.314 -13.819 62 HG13 ILE 8 3HG1 ILE 8 -6.016 -8.048 -14.002 63 HG21 ILE 8 1HG2 ILE 8 -6.670 -4.774 -15.068 64 HG22 ILE 8 2HG2 ILE 8 -6.249 -3.868 -13.616 65 HG23 ILE 8 3HG2 ILE 8 -4.978 -4.581 -14.609 66 HD11 ILE 8 1HD1 ILE 8 -6.334 -6.646 -16.041 67 HD12 ILE 8 2HD1 ILE 8 -4.647 -6.153 -15.888 68 HD13 ILE 8 3HD1 ILE 8 -5.049 -7.848 -16.158 69 H ILE 9 H ILE 9 -6.655 -7.260 -10.447 70 HA ILE 9 HA ILE 9 -4.811 -9.528 -10.671 71 HB ILE 9 HB ILE 9 -4.229 -9.608 -8.505 72 HG12 ILE 9 2HG1 ILE 9 -6.446 -8.306 -7.138 73 HG13 ILE 9 3HG1 ILE 9 -6.989 -9.636 -8.155 74 HG21 ILE 9 1HG2 ILE 9 -5.288 -6.787 -8.439 75 HG22 ILE 9 2HG2 ILE 9 -4.009 -7.462 -7.431 76 HG23 ILE 9 3HG2 ILE 9 -3.756 -7.271 -9.166 77 HD11 ILE 9 1HD1 ILE 9 -6.281 -10.009 -5.653 78 HD12 ILE 9 2HD1 ILE 9 -5.927 -11.208 -6.897 79 HD13 ILE 9 3HD1 ILE 9 -4.669 -10.094 -6.362 80 H TYR 10 H TYR 10 -5.765 -11.493 -9.502 81 HA TYR 10 HA TYR 10 -8.694 -11.513 -9.602 82 HB2 TYR 10 2HB TYR 10 -8.439 -13.814 -10.770 83 HB3 TYR 10 3HB TYR 10 -8.284 -12.354 -11.740 84 HD1 TYR 10 HD1 TYR 10 -5.567 -13.269 -9.498 85 HD2 TYR 10 HD2 TYR 10 -7.074 -13.632 -13.460 86 HE1 TYR 10 HE1 TYR 10 -3.353 -14.017 -10.264 87 HE2 TYR 10 HE2 TYR 10 -4.865 -14.383 -14.237 88 HH TYR 10 HH TYR 10 -2.380 -15.301 -12.107 89 H CYS 11 H CYS 11 -8.198 -11.492 -7.249 90 HA CYS 11 HA CYS 11 -7.441 -14.154 -6.249 91 HB2 CYS 11 2HB CYS 11 -6.018 -12.466 -5.323 92 HB3 CYS 11 3HB CYS 11 -7.393 -11.438 -4.930 93 H ASN 12 H ASN 12 -9.242 -15.348 -6.082 94 HA ASN 12 HA ASN 12 -11.699 -14.124 -5.077 95 HB2 ASN 12 2HB ASN 12 -12.213 -15.417 -6.946 96 HB3 ASN 12 3HB ASN 12 -11.064 -16.680 -6.514 97 HD21 ASN 12 1HD2 ASN 12 -11.588 -17.942 -4.560 98 HD22 ASN 12 2HD2 ASN 12 -13.249 -18.306 -4.251 99 H ALA 13 H ALA 13 -13.019 -15.566 -3.566 100 HA ALA 13 HA ALA 13 -11.974 -15.700 -1.084 101 HB1 ALA 13 1HB ALA 13 -14.038 -17.502 -2.327 102 HB2 ALA 13 2HB ALA 13 -13.661 -17.514 -0.603 103 HB3 ALA 13 3HB ALA 13 -14.298 -16.052 -1.356 104 H ALA 14 H ALA 14 -11.710 -17.838 0.244 105 HA ALA 14 HA ALA 14 -9.262 -18.941 -0.262 106 HB1 ALA 14 1HB ALA 14 -10.322 -19.191 1.880 107 HB2 ALA 14 2HB ALA 14 -11.587 -20.204 1.182 108 HB3 ALA 14 3HB ALA 14 -9.925 -20.790 1.251 109 H THR 15 H THR 15 -8.905 -19.569 -2.368 110 HA THR 15 HA THR 15 -10.180 -22.097 -3.149 111 HB THR 15 HB THR 15 -11.319 -20.408 -4.459 112 HG1 THR 15 HG1 THR 15 -10.770 -21.221 -6.526 113 HG21 THR 15 1HG2 THR 15 -9.214 -18.839 -4.255 114 HG22 THR 15 2HG2 THR 15 -10.312 -18.702 -5.629 115 HG23 THR 15 3HG2 THR 15 -8.789 -19.573 -5.801 116 H GLY 16 H GLY 16 -8.894 -22.544 -5.520 117 HA2 GLY 16 2HA GLY 16 -6.181 -23.056 -4.581 118 HA3 GLY 16 3HA GLY 16 -6.944 -23.762 -5.998 119 H LYS 17 H LYS 17 -7.147 -20.344 -5.535 120 HA LYS 17 HA LYS 17 -4.773 -19.628 -6.924 121 HB2 LYS 17 2HB LYS 17 -5.418 -19.480 -9.077 122 HB3 LYS 17 3HB LYS 17 -6.677 -20.617 -8.612 123 HG2 LYS 17 2HG LYS 17 -7.106 -17.662 -8.390 124 HG3 LYS 17 3HG LYS 17 -7.343 -18.513 -9.918 125 HD2 LYS 17 2HD LYS 17 -8.713 -20.108 -8.185 126 HD3 LYS 17 3HD LYS 17 -8.980 -18.511 -7.482 127 HE2 LYS 17 2HE LYS 17 -9.307 -18.786 -10.416 128 HE3 LYS 17 3HE LYS 17 -10.539 -19.523 -9.393 129 HZ1 LYS 17 1HZ LYS 17 -11.415 -17.466 -9.518 130 HZ2 LYS 17 2HZ LYS 17 -9.935 -16.714 -9.838 131 HZ3 LYS 17 3HZ LYS 17 -10.341 -17.140 -8.252 132 H CYS 18 H CYS 18 -4.315 -17.540 -6.541 133 HA CYS 18 HA CYS 18 -6.245 -15.477 -6.360 134 HB2 CYS 18 2HB CYS 18 -6.934 -16.193 -4.259 135 HB3 CYS 18 3HB CYS 18 -5.330 -16.768 -3.817 136 H GLN 19 H GLN 19 -5.089 -13.940 -7.314 137 HA GLN 19 HA GLN 19 -3.017 -12.558 -6.172 138 HB2 GLN 19 2HB GLN 19 -1.026 -13.316 -7.398 139 HB3 GLN 19 3HB GLN 19 -1.661 -14.575 -6.346 140 HG2 GLN 19 2HG GLN 19 -2.352 -14.441 -9.260 141 HG3 GLN 19 3HG GLN 19 -0.904 -15.257 -8.673 142 HE21 GLN 19 1HE2 GLN 19 -4.318 -15.383 -9.001 143 HE22 GLN 19 2HE2 GLN 19 -4.545 -16.970 -8.358 144 H ARG 20 H ARG 20 -1.480 -12.527 -8.848 145 HA ARG 20 HA ARG 20 -3.490 -11.153 -10.486 146 HB2 ARG 20 2HB ARG 20 -2.262 -9.190 -10.691 147 HB3 ARG 20 3HB ARG 20 -2.040 -9.600 -8.995 148 HG2 ARG 20 2HG ARG 20 -0.087 -10.031 -11.242 149 HG3 ARG 20 3HG ARG 20 0.059 -8.904 -9.892 150 HD2 ARG 20 2HD ARG 20 0.232 -11.901 -9.864 151 HD3 ARG 20 3HD ARG 20 1.430 -10.725 -9.324 152 HE ARG 20 HE ARG 20 -1.114 -10.839 -7.896 153 HH11 ARG 20 1HH1 ARG 20 2.291 -11.556 -7.996 154 HH12 ARG 20 2HH1 ARG 20 2.418 -11.827 -6.290 155 HH21 ARG 20 1HH2 ARG 20 -0.960 -11.192 -5.647 156 HH22 ARG 20 2HH2 ARG 20 0.567 -11.620 -4.955 157 H MET 21 H MET 21 -2.369 -10.485 -12.665 158 HA MET 21 HA MET 21 -1.425 -12.928 -13.837 159 HB2 MET 21 2HB MET 21 -2.448 -10.358 -14.771 160 HB3 MET 21 3HB MET 21 -1.129 -10.964 -15.763 161 HG2 MET 21 2HG MET 21 -3.554 -12.590 -15.051 162 HG3 MET 21 3HG MET 21 -3.424 -11.611 -16.511 163 HE1 MET 21 1HE MET 21 -2.319 -11.959 -18.371 164 HE2 MET 21 2HE MET 21 -0.626 -12.408 -18.167 165 HE3 MET 21 3HE MET 21 -1.740 -13.511 -18.975 166 H1 GLY 33 H GLY 33 -26.778 -19.165 -20.311 167 HA2 GLY 33 2HA GLY 33 -26.887 -21.036 -18.055 168 HA3 GLY 33 3HA GLY 33 -28.193 -20.703 -19.183 169 H SER 34 H SER 34 -24.806 -21.635 -19.732 170 HA SER 34 HA SER 34 -25.777 -24.095 -21.022 171 HB2 SER 34 2HB SER 34 -23.669 -22.199 -22.080 172 HB3 SER 34 3HB SER 34 -23.997 -23.797 -22.750 173 HG SER 34 HG SER 34 -25.092 -21.981 -23.792 174 H LYS 35 H LYS 35 -22.967 -22.408 -19.664 175 HA LYS 35 HA LYS 35 -22.109 -24.926 -18.450 176 HB2 LYS 35 2HB LYS 35 -20.187 -23.124 -19.929 177 HB3 LYS 35 3HB LYS 35 -19.819 -24.661 -19.158 178 HG2 LYS 35 2HG LYS 35 -20.008 -25.445 -21.254 179 HG3 LYS 35 3HG LYS 35 -21.731 -25.451 -20.874 180 HD2 LYS 35 2HD LYS 35 -21.866 -23.143 -21.830 181 HD3 LYS 35 3HD LYS 35 -20.191 -23.325 -22.358 182 HE2 LYS 35 2HE LYS 35 -22.177 -25.420 -23.102 183 HE3 LYS 35 3HE LYS 35 -22.196 -23.885 -23.968 184 HZ1 LYS 35 1HZ LYS 35 -20.672 -24.898 -25.241 185 HZ2 LYS 35 2HZ LYS 35 -20.258 -26.034 -24.059 186 HZ3 LYS 35 3HZ LYS 35 -19.592 -24.480 -24.008 187 H LYS 36 H LYS 36 -21.763 -24.623 -16.358 188 HA LYS 36 HA LYS 36 -20.477 -22.198 -15.410 189 HB2 LYS 36 2HB LYS 36 -22.228 -21.806 -13.691 190 HB3 LYS 36 3HB LYS 36 -22.794 -21.530 -15.333 191 HG2 LYS 36 2HG LYS 36 -23.222 -24.197 -14.074 192 HG3 LYS 36 3HG LYS 36 -24.261 -22.843 -13.622 193 HD2 LYS 36 2HD LYS 36 -24.574 -22.503 -16.149 194 HD3 LYS 36 3HD LYS 36 -23.906 -24.129 -16.313 195 HE2 LYS 36 2HE LYS 36 -26.282 -24.326 -16.270 196 HE3 LYS 36 3HE LYS 36 -25.671 -24.920 -14.726 197 HZ1 LYS 36 1HZ LYS 36 -27.667 -23.392 -14.657 198 HZ2 LYS 36 2HZ LYS 36 -26.612 -22.137 -15.072 199 HZ3 LYS 36 3HZ LYS 36 -26.381 -22.994 -13.632 200 HA PRO 37 HA PRO 37 -19.361 -26.182 -13.227 201 HB2 PRO 37 2HB PRO 37 -16.693 -25.994 -13.689 202 HB3 PRO 37 3HB PRO 37 -17.810 -26.772 -14.816 203 HG2 PRO 37 2HG PRO 37 -16.652 -24.013 -14.900 204 HG3 PRO 37 3HG PRO 37 -16.865 -25.178 -16.220 205 HD2 PRO 37 2HD PRO 37 -18.562 -23.107 -15.817 206 HD3 PRO 37 3HD PRO 37 -19.096 -24.664 -16.482 207 H VAL 38 H VAL 38 -17.549 -23.114 -13.313 208 HA VAL 38 HA VAL 38 -17.216 -23.317 -10.392 209 HB VAL 38 HB VAL 38 -15.109 -23.247 -11.739 210 HG11 VAL 38 1HG1 VAL 38 -15.859 -20.384 -12.298 211 HG12 VAL 38 2HG1 VAL 38 -14.438 -21.262 -12.869 212 HG13 VAL 38 3HG1 VAL 38 -16.041 -21.687 -13.471 213 HG21 VAL 38 1HG2 VAL 38 -15.435 -22.366 -9.347 214 HG22 VAL 38 2HG2 VAL 38 -13.978 -21.884 -10.216 215 HG23 VAL 38 3HG2 VAL 38 -15.330 -20.762 -10.073 216 HA PRO 39 HA PRO 39 -20.050 -19.904 -10.170 217 HB2 PRO 39 2HB PRO 39 -19.789 -19.466 -7.504 218 HB3 PRO 39 3HB PRO 39 -20.728 -20.807 -8.170 219 HG2 PRO 39 2HG PRO 39 -17.942 -20.806 -7.074 220 HG3 PRO 39 3HG PRO 39 -19.244 -21.983 -6.820 221 HD2 PRO 39 2HD PRO 39 -17.223 -22.403 -8.571 222 HD3 PRO 39 3HD PRO 39 -18.862 -23.031 -8.836 223 H ILE 40 H ILE 40 -16.711 -19.846 -9.191 224 HA ILE 40 HA ILE 40 -16.738 -16.913 -9.070 225 HB ILE 40 HB ILE 40 -14.829 -16.960 -7.791 226 HG12 ILE 40 2HG1 ILE 40 -14.186 -19.347 -9.407 227 HG13 ILE 40 3HG1 ILE 40 -13.141 -18.040 -8.861 228 HG21 ILE 40 1HG2 ILE 40 -15.158 -18.500 -6.027 229 HG22 ILE 40 2HG2 ILE 40 -16.752 -18.186 -6.710 230 HG23 ILE 40 3HG2 ILE 40 -15.904 -19.682 -7.102 231 HD11 ILE 40 1HD1 ILE 40 -13.178 -19.081 -6.591 232 HD12 ILE 40 2HD1 ILE 40 -14.020 -20.455 -7.308 233 HD13 ILE 40 3HD1 ILE 40 -12.391 -20.043 -7.842 234 H ILE 41 H ILE 41 -15.506 -15.662 -10.425 235 HA ILE 41 HA ILE 41 -13.909 -17.014 -12.480 236 HB ILE 41 HB ILE 41 -15.097 -16.304 -14.245 237 HG12 ILE 41 2HG1 ILE 41 -16.407 -13.888 -13.285 238 HG13 ILE 41 3HG1 ILE 41 -14.662 -13.824 -13.057 239 HG21 ILE 41 1HG2 ILE 41 -17.465 -16.216 -13.902 240 HG22 ILE 41 2HG2 ILE 41 -16.781 -17.341 -12.730 241 HG23 ILE 41 3HG2 ILE 41 -17.253 -15.719 -12.224 242 HD11 ILE 41 1HD1 ILE 41 -14.236 -13.809 -15.292 243 HD12 ILE 41 2HD1 ILE 41 -15.701 -14.706 -15.692 244 HD13 ILE 41 3HD1 ILE 41 -15.800 -12.995 -15.275 245 H TYR 42 H TYR 42 -12.685 -15.334 -13.823 246 HA TYR 42 HA TYR 42 -11.992 -12.962 -12.248 247 HB2 TYR 42 2HB TYR 42 -9.536 -13.512 -12.869 248 HB3 TYR 42 3HB TYR 42 -10.274 -14.361 -11.515 249 HD1 TYR 42 HD1 TYR 42 -8.574 -16.132 -11.717 250 HD2 TYR 42 HD2 TYR 42 -11.263 -15.265 -14.899 251 HE1 TYR 42 HE1 TYR 42 -8.019 -18.287 -12.765 252 HE2 TYR 42 HE2 TYR 42 -10.717 -17.418 -15.955 253 HH TYR 42 HH TYR 42 -8.413 -19.669 -14.453 254 H CYS 43 H CYS 43 -13.335 -12.084 -14.037 255 HA CYS 43 HA CYS 43 -11.815 -11.822 -16.543 256 HB2 CYS 43 2HB CYS 43 -13.998 -12.710 -16.967 257 HB3 CYS 43 3HB CYS 43 -14.757 -11.490 -15.950 258 H ASN 44 H ASN 44 -10.527 -10.087 -16.367 259 HA ASN 44 HA ASN 44 -11.534 -7.663 -15.083 260 HB2 ASN 44 2HB ASN 44 -9.383 -8.094 -14.297 261 HB3 ASN 44 3HB ASN 44 -8.811 -8.644 -15.869 262 HD21 ASN 44 1HD2 ASN 44 -8.670 -6.978 -17.569 263 HD22 ASN 44 2HD2 ASN 44 -8.174 -5.388 -17.108 264 H ALA 45 H ALA 45 -10.844 -5.559 -16.178 265 HA ALA 45 HA ALA 45 -12.248 -5.048 -18.423 266 HB1 ALA 45 1HB ALA 45 -9.614 -3.675 -18.177 267 HB2 ALA 45 2HB ALA 45 -11.206 -3.006 -18.537 268 HB3 ALA 45 3HB ALA 45 -10.806 -3.490 -16.889 269 H ALA 46 H ALA 46 -11.226 -4.262 -20.601 270 HA ALA 46 HA ALA 46 -10.574 -6.421 -22.144 271 HB1 ALA 46 1HB ALA 46 -9.790 -3.542 -22.570 272 HB2 ALA 46 2HB ALA 46 -9.682 -4.800 -23.801 273 HB3 ALA 46 3HB ALA 46 -11.252 -4.344 -23.142 274 H THR 47 H THR 47 -9.036 -7.786 -21.292 275 HA THR 47 HA THR 47 -6.267 -6.831 -21.500 276 HB THR 47 HB THR 47 -6.741 -6.824 -19.124 277 HG1 THR 47 HG1 THR 47 -4.711 -7.528 -19.327 278 HG21 THR 47 1HG2 THR 47 -7.272 -9.760 -19.105 279 HG22 THR 47 2HG2 THR 47 -8.593 -8.656 -19.489 280 HG23 THR 47 3HG2 THR 47 -7.752 -8.522 -17.945 281 H GLY 48 H GLY 48 -4.941 -9.134 -20.854 282 HA2 GLY 48 2HA GLY 48 -5.587 -10.799 -23.159 283 HA3 GLY 48 3HA GLY 48 -4.103 -10.850 -22.221 284 H LYS 49 H LYS 49 -7.133 -10.875 -20.556 285 HA LYS 49 HA LYS 49 -7.507 -13.691 -20.481 286 HB2 LYS 49 2HB LYS 49 -6.371 -14.350 -18.652 287 HB3 LYS 49 3HB LYS 49 -5.405 -12.906 -18.924 288 HG2 LYS 49 2HG LYS 49 -7.873 -12.818 -17.232 289 HG3 LYS 49 3HG LYS 49 -6.323 -13.343 -16.571 290 HD2 LYS 49 2HD LYS 49 -5.626 -11.051 -17.877 291 HD3 LYS 49 3HD LYS 49 -7.252 -10.661 -17.309 292 HE2 LYS 49 2HE LYS 49 -5.409 -11.956 -15.382 293 HE3 LYS 49 3HE LYS 49 -5.073 -10.281 -15.819 294 HZ1 LYS 49 1HZ LYS 49 -7.301 -11.396 -14.309 295 HZ2 LYS 49 2HZ LYS 49 -7.660 -10.106 -15.341 296 HZ3 LYS 49 3HZ LYS 49 -6.501 -9.917 -14.124 297 H CYS 50 H CYS 50 -9.529 -14.132 -19.826 298 HA CYS 50 HA CYS 50 -10.919 -12.704 -17.816 299 HB2 CYS 50 2HB CYS 50 -11.271 -10.893 -19.228 300 HB3 CYS 50 3HB CYS 50 -11.368 -11.904 -20.667 301 H GLN 51 H GLN 51 -11.942 -14.381 -16.950 302 HA GLN 51 HA GLN 51 -14.120 -15.651 -18.022 303 HB2 GLN 51 2HB GLN 51 -13.281 -17.870 -18.666 304 HB3 GLN 51 3HB GLN 51 -12.650 -16.606 -19.714 305 HG2 GLN 51 2HG GLN 51 -11.100 -17.644 -17.367 306 HG3 GLN 51 3HG GLN 51 -11.039 -18.417 -18.950 307 HE21 GLN 51 1HE2 GLN 51 -10.036 -15.754 -17.031 308 HE22 GLN 51 2HE2 GLN 51 -9.008 -15.010 -18.203 309 H ARG 52 H ARG 52 -13.081 -18.389 -17.046 310 HA ARG 52 HA ARG 52 -12.933 -17.802 -14.175 311 HB2 ARG 52 2HB ARG 52 -14.719 -19.174 -13.601 312 HB3 ARG 52 3HB ARG 52 -15.307 -18.374 -15.052 313 HG2 ARG 52 2HG ARG 52 -14.216 -21.168 -14.831 314 HG3 ARG 52 3HG ARG 52 -15.879 -20.688 -15.173 315 HD2 ARG 52 2HD ARG 52 -13.454 -20.440 -16.925 316 HD3 ARG 52 3HD ARG 52 -14.968 -21.280 -17.256 317 HE ARG 52 HE ARG 52 -15.058 -18.380 -16.933 318 HH11 ARG 52 1HH1 ARG 52 -15.151 -21.156 -19.032 319 HH12 ARG 52 2HH1 ARG 52 -15.837 -20.288 -20.365 320 HH21 ARG 52 1HH2 ARG 52 -15.961 -17.226 -18.681 321 HH22 ARG 52 2HH2 ARG 52 -16.296 -18.053 -20.165 322 H MET 53 H MET 53 -12.606 -20.012 -12.965 323 HA MET 53 HA MET 53 -10.191 -21.137 -14.043 324 HB2 MET 53 2HB MET 53 -11.576 -21.102 -11.470 325 HB3 MET 53 3HB MET 53 -10.841 -22.658 -11.831 326 HG2 MET 53 2HG MET 53 -9.366 -20.042 -11.961 327 HG3 MET 53 3HG MET 53 -9.406 -21.082 -10.539 328 HE1 MET 53 1HE MET 53 -7.057 -22.855 -10.306 329 HE2 MET 53 2HE MET 53 -8.752 -23.332 -10.412 330 HE3 MET 53 3HE MET 53 -7.539 -24.159 -11.392 Start of MODEL 5 1 H1 GLY 1 H GLY 1 5.330 2.276 -3.238 2 HA2 GLY 1 2HA GLY 1 4.505 1.634 -0.995 3 HA3 GLY 1 3HA GLY 1 3.379 0.567 -1.820 4 H SER 2 H SER 2 4.036 -1.439 -2.467 5 HA SER 2 HA SER 2 6.801 -2.178 -1.760 6 HB2 SER 2 2HB SER 2 4.193 -3.582 -1.323 7 HB3 SER 2 3HB SER 2 5.655 -4.542 -1.545 8 HG SER 2 HG SER 2 6.008 -4.152 0.481 9 H LYS 3 H LYS 3 4.214 -3.846 -3.535 10 HA LYS 3 HA LYS 3 5.828 -3.763 -5.971 11 HB2 LYS 3 2HB LYS 3 5.438 -6.216 -6.312 12 HB3 LYS 3 3HB LYS 3 6.539 -5.829 -4.996 13 HG2 LYS 3 2HG LYS 3 5.300 -7.310 -3.860 14 HG3 LYS 3 3HG LYS 3 4.199 -5.945 -3.656 15 HD2 LYS 3 2HD LYS 3 2.631 -6.880 -4.955 16 HD3 LYS 3 3HD LYS 3 3.812 -7.377 -6.170 17 HE2 LYS 3 2HE LYS 3 2.794 -9.345 -5.262 18 HE3 LYS 3 3HE LYS 3 4.455 -9.262 -4.676 19 HZ1 LYS 3 1HZ LYS 3 3.719 -9.284 -2.603 20 HZ2 LYS 3 2HZ LYS 3 2.136 -9.476 -3.167 21 HZ3 LYS 3 3HZ LYS 3 2.747 -7.926 -2.874 22 H LYS 4 H LYS 4 4.589 -3.202 -7.627 23 HA LYS 4 HA LYS 4 1.858 -4.198 -7.818 24 HB2 LYS 4 2HB LYS 4 2.367 -1.254 -8.186 25 HB3 LYS 4 3HB LYS 4 0.824 -2.085 -8.035 26 HG2 LYS 4 2HG LYS 4 1.007 -1.127 -5.968 27 HG3 LYS 4 3HG LYS 4 1.730 -2.709 -5.663 28 HD2 LYS 4 2HD LYS 4 3.447 -1.537 -4.818 29 HD3 LYS 4 3HD LYS 4 3.885 -1.259 -6.505 30 HE2 LYS 4 2HE LYS 4 2.025 0.697 -6.058 31 HE3 LYS 4 3HE LYS 4 2.837 0.595 -4.496 32 HZ1 LYS 4 1HZ LYS 4 3.852 1.516 -7.056 33 HZ2 LYS 4 2HZ LYS 4 4.927 0.588 -6.137 34 HZ3 LYS 4 3HZ LYS 4 4.263 2.002 -5.488 35 HA PRO 5 HA PRO 5 4.289 -4.036 -11.809 36 HB2 PRO 5 2HB PRO 5 3.966 -6.663 -12.415 37 HB3 PRO 5 3HB PRO 5 5.302 -6.063 -11.425 38 HG2 PRO 5 2HG PRO 5 2.730 -7.334 -10.568 39 HG3 PRO 5 3HG PRO 5 4.372 -7.609 -9.958 40 HD2 PRO 5 2HD PRO 5 2.583 -6.040 -8.667 41 HD3 PRO 5 3HD PRO 5 4.330 -5.727 -8.629 42 H VAL 6 H VAL 6 1.403 -6.028 -11.139 43 HA VAL 6 HA VAL 6 0.197 -4.945 -13.603 44 HB VAL 6 HB VAL 6 0.666 -7.435 -13.567 45 HG11 VAL 6 1HG1 VAL 6 0.026 -7.755 -11.188 46 HG12 VAL 6 2HG1 VAL 6 -1.657 -7.484 -11.646 47 HG13 VAL 6 3HG1 VAL 6 -0.778 -8.870 -12.292 48 HG21 VAL 6 1HG2 VAL 6 -1.080 -6.191 -14.964 49 HG22 VAL 6 2HG2 VAL 6 -1.267 -7.937 -14.794 50 HG23 VAL 6 3HG2 VAL 6 -2.266 -6.846 -13.835 51 HA PRO 7 HA PRO 7 -2.748 -3.071 -10.867 52 HB2 PRO 7 2HB PRO 7 -4.458 -2.205 -12.789 53 HB3 PRO 7 3HB PRO 7 -2.916 -1.412 -12.447 54 HG2 PRO 7 2HG PRO 7 -3.604 -3.362 -14.611 55 HG3 PRO 7 3HG PRO 7 -2.639 -1.877 -14.709 56 HD2 PRO 7 2HD PRO 7 -1.516 -4.337 -14.565 57 HD3 PRO 7 3HD PRO 7 -0.754 -2.897 -13.861 58 H ILE 8 H ILE 8 -3.482 -5.542 -13.214 59 HA ILE 8 HA ILE 8 -6.040 -6.094 -11.871 60 HB ILE 8 HB ILE 8 -6.846 -7.078 -13.794 61 HG12 ILE 8 2HG1 ILE 8 -4.007 -7.782 -14.251 62 HG13 ILE 8 3HG1 ILE 8 -5.461 -8.746 -14.492 63 HG21 ILE 8 1HG2 ILE 8 -6.322 -4.645 -14.102 64 HG22 ILE 8 2HG2 ILE 8 -4.877 -5.137 -14.983 65 HG23 ILE 8 3HG2 ILE 8 -6.473 -5.568 -15.596 66 HD11 ILE 8 1HD1 ILE 8 -5.909 -7.393 -16.542 67 HD12 ILE 8 2HD1 ILE 8 -4.320 -6.659 -16.327 68 HD13 ILE 8 3HD1 ILE 8 -4.459 -8.394 -16.612 69 H ILE 9 H ILE 9 -6.430 -8.028 -10.902 70 HA ILE 9 HA ILE 9 -4.380 -10.118 -11.075 71 HB ILE 9 HB ILE 9 -3.905 -10.208 -8.865 72 HG12 ILE 9 2HG1 ILE 9 -6.205 -8.819 -7.688 73 HG13 ILE 9 3HG1 ILE 9 -6.640 -10.274 -8.579 74 HG21 ILE 9 1HG2 ILE 9 -4.942 -7.380 -8.916 75 HG22 ILE 9 2HG2 ILE 9 -3.660 -8.030 -7.895 76 HG23 ILE 9 3HG2 ILE 9 -3.417 -7.893 -9.636 77 HD11 ILE 9 1HD1 ILE 9 -4.402 -10.405 -6.627 78 HD12 ILE 9 2HD1 ILE 9 -6.063 -10.373 -6.034 79 HD13 ILE 9 3HD1 ILE 9 -5.542 -11.654 -7.128 80 H TYR 10 H TYR 10 -5.196 -12.123 -9.784 81 HA TYR 10 HA TYR 10 -8.098 -12.429 -10.088 82 HB2 TYR 10 2HB TYR 10 -7.537 -14.785 -11.007 83 HB3 TYR 10 3HB TYR 10 -7.415 -13.408 -12.096 84 HD1 TYR 10 HD1 TYR 10 -4.870 -13.940 -9.530 85 HD2 TYR 10 HD2 TYR 10 -5.927 -14.638 -13.592 86 HE1 TYR 10 HE1 TYR 10 -2.538 -14.544 -10.026 87 HE2 TYR 10 HE2 TYR 10 -3.598 -15.245 -14.099 88 HH TYR 10 HH TYR 10 -1.610 -15.999 -12.998 89 H CYS 11 H CYS 11 -7.833 -12.156 -7.717 90 HA CYS 11 HA CYS 11 -7.062 -14.696 -6.437 91 HB2 CYS 11 2HB CYS 11 -5.600 -12.939 -5.676 92 HB3 CYS 11 3HB CYS 11 -6.966 -11.879 -5.348 93 H ASN 12 H ASN 12 -8.905 -15.808 -6.183 94 HA ASN 12 HA ASN 12 -11.337 -14.414 -5.363 95 HB2 ASN 12 2HB ASN 12 -11.868 -15.889 -7.081 96 HB3 ASN 12 3HB ASN 12 -10.750 -17.122 -6.504 97 HD21 ASN 12 1HD2 ASN 12 -11.329 -18.292 -4.576 98 HD22 ASN 12 2HD2 ASN 12 -12.997 -18.537 -4.196 99 H ALA 13 H ALA 13 -12.728 -15.646 -3.733 100 HA ALA 13 HA ALA 13 -11.738 -15.528 -1.227 101 HB1 ALA 13 1HB ALA 13 -13.741 -17.583 -2.155 102 HB2 ALA 13 2HB ALA 13 -13.525 -17.005 -0.502 103 HB3 ALA 13 3HB ALA 13 -14.104 -15.905 -1.752 104 H ALA 14 H ALA 14 -11.648 -17.588 0.310 105 HA ALA 14 HA ALA 14 -9.196 -18.759 0.072 106 HB1 ALA 14 1HB ALA 14 -10.032 -20.519 1.625 107 HB2 ALA 14 2HB ALA 14 -10.404 -18.872 2.136 108 HB3 ALA 14 3HB ALA 14 -11.658 -19.873 1.405 109 H THR 15 H THR 15 -8.680 -19.524 -1.954 110 HA THR 15 HA THR 15 -9.954 -22.068 -2.692 111 HB THR 15 HB THR 15 -10.898 -20.467 -4.222 112 HG1 THR 15 HG1 THR 15 -10.557 -21.855 -5.774 113 HG21 THR 15 1HG2 THR 15 -9.249 -19.255 -5.793 114 HG22 THR 15 2HG2 THR 15 -8.055 -19.557 -4.531 115 HG23 THR 15 3HG2 THR 15 -9.493 -18.601 -4.174 116 H GLY 16 H GLY 16 -8.457 -22.719 -4.880 117 HA2 GLY 16 2HA GLY 16 -5.866 -23.233 -3.640 118 HA3 GLY 16 3HA GLY 16 -6.518 -24.037 -5.061 119 H LYS 17 H LYS 17 -7.010 -20.790 -5.444 120 HA LYS 17 HA LYS 17 -4.366 -20.189 -6.503 121 HB2 LYS 17 2HB LYS 17 -4.940 -19.997 -8.722 122 HB3 LYS 17 3HB LYS 17 -5.953 -21.356 -8.252 123 HG2 LYS 17 2HG LYS 17 -6.911 -18.505 -8.297 124 HG3 LYS 17 3HG LYS 17 -7.080 -19.622 -9.654 125 HD2 LYS 17 2HD LYS 17 -8.102 -20.288 -6.907 126 HD3 LYS 17 3HD LYS 17 -9.072 -19.381 -8.069 127 HE2 LYS 17 2HE LYS 17 -9.747 -21.356 -8.853 128 HE3 LYS 17 3HE LYS 17 -8.130 -21.527 -9.534 129 HZ1 LYS 17 1HZ LYS 17 -8.010 -22.275 -6.849 130 HZ2 LYS 17 2HZ LYS 17 -7.811 -23.255 -8.212 131 HZ3 LYS 17 3HZ LYS 17 -9.345 -23.062 -7.526 132 H CYS 18 H CYS 18 -3.866 -18.083 -6.314 133 HA CYS 18 HA CYS 18 -5.761 -15.974 -6.430 134 HB2 CYS 18 2HB CYS 18 -6.524 -16.406 -4.291 135 HB3 CYS 18 3HB CYS 18 -4.970 -17.032 -3.750 136 H GLN 19 H GLN 19 -4.648 -14.363 -7.293 137 HA GLN 19 HA GLN 19 -2.458 -13.089 -6.244 138 HB2 GLN 19 2HB GLN 19 -0.739 -13.964 -8.041 139 HB3 GLN 19 3HB GLN 19 -0.923 -14.779 -6.494 140 HG2 GLN 19 2HG GLN 19 -1.760 -16.638 -7.423 141 HG3 GLN 19 3HG GLN 19 -2.702 -15.745 -8.615 142 HE21 GLN 19 1HE2 GLN 19 -0.736 -14.305 -9.874 143 HE22 GLN 19 2HE2 GLN 19 0.325 -15.383 -10.709 144 H ARG 20 H ARG 20 -0.998 -12.701 -8.770 145 HA ARG 20 HA ARG 20 -3.081 -11.416 -10.400 146 HB2 ARG 20 2HB ARG 20 -1.996 -9.366 -10.453 147 HB3 ARG 20 3HB ARG 20 -1.744 -9.872 -8.788 148 HG2 ARG 20 2HG ARG 20 0.231 -10.021 -11.052 149 HG3 ARG 20 3HG ARG 20 0.300 -8.973 -9.634 150 HD2 ARG 20 2HD ARG 20 0.683 -11.946 -9.793 151 HD3 ARG 20 3HD ARG 20 1.795 -10.725 -9.175 152 HE ARG 20 HE ARG 20 -0.728 -11.069 -7.760 153 HH11 ARG 20 1HH1 ARG 20 2.695 -11.684 -7.922 154 HH12 ARG 20 2HH1 ARG 20 2.834 -12.087 -6.243 155 HH21 ARG 20 1HH2 ARG 20 -0.557 -11.598 -5.547 156 HH22 ARG 20 2HH2 ARG 20 0.984 -12.039 -4.893 157 H MET 21 H MET 21 -2.005 -10.567 -12.523 158 HA MET 21 HA MET 21 -0.931 -12.851 -13.849 159 HB2 MET 21 2HB MET 21 -1.979 -10.238 -14.593 160 HB3 MET 21 3HB MET 21 -0.596 -10.702 -15.574 161 HG2 MET 21 2HG MET 21 -2.947 -12.515 -15.133 162 HG3 MET 21 3HG MET 21 -2.879 -11.339 -16.444 163 HE1 MET 21 1HE MET 21 -1.958 -11.774 -18.649 164 HE2 MET 21 2HE MET 21 -0.389 -11.320 -17.984 165 HE3 MET 21 3HE MET 21 -0.536 -12.760 -18.993 166 H1 GLY 33 H GLY 33 -26.530 -18.218 -19.510 167 HA2 GLY 33 2HA GLY 33 -27.226 -19.852 -17.146 168 HA3 GLY 33 3HA GLY 33 -28.412 -19.292 -18.316 169 H SER 34 H SER 34 -25.338 -20.341 -19.483 170 HA SER 34 HA SER 34 -26.623 -22.760 -20.559 171 HB2 SER 34 2HB SER 34 -24.231 -21.224 -21.604 172 HB3 SER 34 3HB SER 34 -24.922 -22.666 -22.346 173 HG SER 34 HG SER 34 -26.953 -21.312 -22.324 174 H LYS 35 H LYS 35 -23.557 -21.550 -19.238 175 HA LYS 35 HA LYS 35 -23.070 -24.192 -18.086 176 HB2 LYS 35 2HB LYS 35 -20.899 -22.707 -19.566 177 HB3 LYS 35 3HB LYS 35 -20.821 -24.329 -18.890 178 HG2 LYS 35 2HG LYS 35 -21.149 -24.868 -21.065 179 HG3 LYS 35 3HG LYS 35 -22.836 -24.718 -20.569 180 HD2 LYS 35 2HD LYS 35 -22.941 -23.368 -22.384 181 HD3 LYS 35 3HD LYS 35 -22.336 -22.166 -21.241 182 HE2 LYS 35 2HE LYS 35 -20.096 -22.462 -22.004 183 HE3 LYS 35 3HE LYS 35 -20.547 -23.869 -22.965 184 HZ1 LYS 35 1HZ LYS 35 -21.519 -21.106 -23.453 185 HZ2 LYS 35 2HZ LYS 35 -21.836 -22.464 -24.409 186 HZ3 LYS 35 3HZ LYS 35 -20.263 -21.852 -24.307 187 H LYS 36 H LYS 36 -22.612 -23.980 -16.005 188 HA LYS 36 HA LYS 36 -20.966 -21.759 -15.086 189 HB2 LYS 36 2HB LYS 36 -23.555 -22.343 -13.668 190 HB3 LYS 36 3HB LYS 36 -22.488 -20.959 -13.467 191 HG2 LYS 36 2HG LYS 36 -24.189 -20.026 -14.675 192 HG3 LYS 36 3HG LYS 36 -23.092 -20.508 -15.972 193 HD2 LYS 36 2HD LYS 36 -24.900 -21.511 -16.846 194 HD3 LYS 36 3HD LYS 36 -24.589 -22.764 -15.643 195 HE2 LYS 36 2HE LYS 36 -26.108 -21.617 -14.086 196 HE3 LYS 36 3HE LYS 36 -26.438 -20.401 -15.319 197 HZ1 LYS 36 1HZ LYS 36 -27.857 -22.670 -14.944 198 HZ2 LYS 36 2HZ LYS 36 -26.842 -23.100 -16.226 199 HZ3 LYS 36 3HZ LYS 36 -27.853 -21.751 -16.364 200 HA PRO 37 HA PRO 37 -20.161 -25.905 -13.078 201 HB2 PRO 37 2HB PRO 37 -17.520 -25.987 -13.699 202 HB3 PRO 37 3HB PRO 37 -18.779 -26.605 -14.775 203 HG2 PRO 37 2HG PRO 37 -17.336 -23.984 -14.858 204 HG3 PRO 37 3HG PRO 37 -17.750 -25.076 -16.192 205 HD2 PRO 37 2HD PRO 37 -19.188 -22.851 -15.632 206 HD3 PRO 37 3HD PRO 37 -19.925 -24.320 -16.303 207 H VAL 38 H VAL 38 -18.113 -22.998 -13.180 208 HA VAL 38 HA VAL 38 -17.634 -23.331 -10.290 209 HB VAL 38 HB VAL 38 -15.610 -23.477 -11.809 210 HG11 VAL 38 1HG1 VAL 38 -16.357 -21.669 -13.346 211 HG12 VAL 38 2HG1 VAL 38 -16.029 -20.502 -12.063 212 HG13 VAL 38 3HG1 VAL 38 -14.713 -21.458 -12.745 213 HG21 VAL 38 1HG2 VAL 38 -15.408 -21.173 -9.898 214 HG22 VAL 38 2HG2 VAL 38 -15.678 -22.821 -9.330 215 HG23 VAL 38 3HG2 VAL 38 -14.221 -22.430 -10.245 216 HA PRO 39 HA PRO 39 -19.984 -19.592 -9.867 217 HB2 PRO 39 2HB PRO 39 -19.489 -19.207 -7.226 218 HB3 PRO 39 3HB PRO 39 -20.627 -20.420 -7.823 219 HG2 PRO 39 2HG PRO 39 -17.793 -20.764 -6.923 220 HG3 PRO 39 3HG PRO 39 -19.207 -21.776 -6.577 221 HD2 PRO 39 2HD PRO 39 -17.377 -22.426 -8.464 222 HD3 PRO 39 3HD PRO 39 -19.095 -22.849 -8.614 223 H ILE 40 H ILE 40 -16.604 -19.944 -9.110 224 HA ILE 40 HA ILE 40 -16.278 -17.020 -9.084 225 HB ILE 40 HB ILE 40 -14.359 -17.234 -7.824 226 HG12 ILE 40 2HG1 ILE 40 -14.090 -19.819 -9.242 227 HG13 ILE 40 3HG1 ILE 40 -12.867 -18.616 -8.850 228 HG21 ILE 40 1HG2 ILE 40 -15.863 -19.699 -6.967 229 HG22 ILE 40 2HG2 ILE 40 -14.853 -18.656 -5.967 230 HG23 ILE 40 3HG2 ILE 40 -16.380 -18.052 -6.609 231 HD11 ILE 40 1HD1 ILE 40 -13.987 -20.756 -7.068 232 HD12 ILE 40 2HD1 ILE 40 -12.329 -20.568 -7.641 233 HD13 ILE 40 3HD1 ILE 40 -12.995 -19.424 -6.476 234 H ILE 41 H ILE 41 -15.034 -16.002 -10.577 235 HA ILE 41 HA ILE 41 -13.550 -17.635 -12.510 236 HB ILE 41 HB ILE 41 -14.631 -16.899 -14.354 237 HG12 ILE 41 2HG1 ILE 41 -15.919 -14.450 -13.394 238 HG13 ILE 41 3HG1 ILE 41 -14.165 -14.410 -13.258 239 HG21 ILE 41 1HG2 ILE 41 -16.338 -17.885 -12.792 240 HG22 ILE 41 2HG2 ILE 41 -16.839 -16.237 -12.419 241 HG23 ILE 41 3HG2 ILE 41 -16.988 -16.852 -14.065 242 HD11 ILE 41 1HD1 ILE 41 -15.377 -15.308 -15.817 243 HD12 ILE 41 2HD1 ILE 41 -15.374 -13.589 -15.425 244 HD13 ILE 41 3HD1 ILE 41 -13.852 -14.475 -15.517 245 H TYR 42 H TYR 42 -12.290 -16.086 -14.044 246 HA TYR 42 HA TYR 42 -11.332 -13.729 -12.585 247 HB2 TYR 42 2HB TYR 42 -8.970 -14.461 -13.331 248 HB3 TYR 42 3HB TYR 42 -9.684 -15.258 -11.934 249 HD1 TYR 42 HD1 TYR 42 -10.932 -16.096 -15.247 250 HD2 TYR 42 HD2 TYR 42 -8.120 -17.139 -12.229 251 HE1 TYR 42 HE1 TYR 42 -10.594 -18.281 -16.325 252 HE2 TYR 42 HE2 TYR 42 -7.773 -19.326 -13.299 253 HH TYR 42 HH TYR 42 -8.129 -20.161 -15.938 254 H CYS 43 H CYS 43 -12.717 -12.780 -14.298 255 HA CYS 43 HA CYS 43 -11.269 -12.592 -16.858 256 HB2 CYS 43 2HB CYS 43 -13.431 -13.594 -17.222 257 HB3 CYS 43 3HB CYS 43 -14.225 -12.330 -16.287 258 H ASN 44 H ASN 44 -10.056 -10.800 -16.711 259 HA ASN 44 HA ASN 44 -11.194 -8.392 -15.498 260 HB2 ASN 44 2HB ASN 44 -9.055 -8.728 -14.629 261 HB3 ASN 44 3HB ASN 44 -8.406 -9.274 -16.172 262 HD21 ASN 44 1HD2 ASN 44 -8.169 -7.660 -17.863 263 HD22 ASN 44 2HD2 ASN 44 -7.801 -6.031 -17.421 264 H ALA 45 H ALA 45 -10.515 -6.289 -16.627 265 HA ALA 45 HA ALA 45 -11.869 -5.877 -18.924 266 HB1 ALA 45 1HB ALA 45 -10.997 -3.798 -18.925 267 HB2 ALA 45 2HB ALA 45 -10.339 -4.303 -17.367 268 HB3 ALA 45 3HB ALA 45 -9.334 -4.378 -18.814 269 H ALA 46 H ALA 46 -10.775 -5.100 -21.086 270 HA ALA 46 HA ALA 46 -10.051 -7.275 -22.569 271 HB1 ALA 46 1HB ALA 46 -10.698 -5.248 -23.650 272 HB2 ALA 46 2HB ALA 46 -9.302 -4.389 -22.997 273 HB3 ALA 46 3HB ALA 46 -9.073 -5.657 -24.202 274 H THR 47 H THR 47 -8.540 -8.617 -21.629 275 HA THR 47 HA THR 47 -5.769 -7.653 -21.756 276 HB THR 47 HB THR 47 -6.327 -7.597 -19.400 277 HG1 THR 47 HG1 THR 47 -4.388 -8.382 -19.143 278 HG21 THR 47 1HG2 THR 47 -7.353 -9.293 -18.213 279 HG22 THR 47 2HG2 THR 47 -6.867 -10.536 -19.365 280 HG23 THR 47 3HG2 THR 47 -8.169 -9.419 -19.770 281 H GLY 48 H GLY 48 -4.448 -9.926 -21.028 282 HA2 GLY 48 2HA GLY 48 -5.037 -11.660 -23.302 283 HA3 GLY 48 3HA GLY 48 -3.558 -11.655 -22.352 284 H LYS 49 H LYS 49 -6.647 -11.709 -20.768 285 HA LYS 49 HA LYS 49 -6.903 -14.536 -20.582 286 HB2 LYS 49 2HB LYS 49 -5.838 -15.056 -18.666 287 HB3 LYS 49 3HB LYS 49 -4.914 -13.592 -18.974 288 HG2 LYS 49 2HG LYS 49 -7.454 -13.537 -17.385 289 HG3 LYS 49 3HG LYS 49 -5.898 -13.917 -16.643 290 HD2 LYS 49 2HD LYS 49 -5.398 -11.644 -18.155 291 HD3 LYS 49 3HD LYS 49 -6.993 -11.356 -17.454 292 HE2 LYS 49 2HE LYS 49 -4.857 -12.425 -15.685 293 HE3 LYS 49 3HE LYS 49 -4.759 -10.733 -16.170 294 HZ1 LYS 49 1HZ LYS 49 -7.233 -10.715 -15.429 295 HZ2 LYS 49 2HZ LYS 49 -6.006 -10.602 -14.270 296 HZ3 LYS 49 3HZ LYS 49 -6.790 -12.078 -14.529 297 H CYS 50 H CYS 50 -8.941 -15.029 -20.028 298 HA CYS 50 HA CYS 50 -10.486 -13.573 -18.149 299 HB2 CYS 50 2HB CYS 50 -10.767 -11.866 -19.746 300 HB3 CYS 50 3HB CYS 50 -10.923 -13.012 -21.073 301 H GLN 51 H GLN 51 -11.673 -15.117 -17.263 302 HA GLN 51 HA GLN 51 -13.631 -16.609 -18.456 303 HB2 GLN 51 2HB GLN 51 -12.351 -18.908 -18.375 304 HB3 GLN 51 3HB GLN 51 -12.305 -17.902 -19.817 305 HG2 GLN 51 2HG GLN 51 -10.112 -17.497 -19.623 306 HG3 GLN 51 3HG GLN 51 -10.190 -17.343 -17.868 307 HE21 GLN 51 1HE2 GLN 51 -11.230 -19.785 -17.171 308 HE22 GLN 51 2HE2 GLN 51 -10.095 -21.028 -17.561 309 H ARG 52 H ARG 52 -13.135 -19.150 -17.108 310 HA ARG 52 HA ARG 52 -13.095 -18.289 -14.295 311 HB2 ARG 52 2HB ARG 52 -15.070 -19.388 -13.773 312 HB3 ARG 52 3HB ARG 52 -15.432 -18.712 -15.355 313 HG2 ARG 52 2HG ARG 52 -14.674 -21.554 -14.724 314 HG3 ARG 52 3HG ARG 52 -16.242 -20.959 -15.273 315 HD2 ARG 52 2HD ARG 52 -13.671 -21.177 -16.802 316 HD3 ARG 52 3HD ARG 52 -15.248 -21.862 -17.191 317 HE ARG 52 HE ARG 52 -15.016 -18.956 -17.166 318 HH11 ARG 52 1HH1 ARG 52 -15.193 -21.911 -18.998 319 HH12 ARG 52 2HH1 ARG 52 -15.624 -21.121 -20.479 320 HH21 ARG 52 1HH2 ARG 52 -15.583 -17.904 -19.108 321 HH22 ARG 52 2HH2 ARG 52 -15.845 -18.841 -20.540 322 H MET 53 H MET 53 -13.063 -20.332 -12.830 323 HA MET 53 HA MET 53 -11.636 -22.578 -13.984 324 HB2 MET 53 2HB MET 53 -9.663 -22.373 -12.680 325 HB3 MET 53 3HB MET 53 -9.914 -20.808 -13.441 326 HG2 MET 53 2HG MET 53 -10.801 -21.430 -10.640 327 HG3 MET 53 3HG MET 53 -9.215 -20.769 -11.029 328 HE1 MET 53 1HE MET 53 -9.629 -17.306 -10.677 329 HE2 MET 53 2HE MET 53 -10.197 -18.248 -9.298 330 HE3 MET 53 3HE MET 53 -8.853 -18.839 -10.276 Start of MODEL 6 1 H1 GLY 1 H GLY 1 3.928 1.557 -1.140 2 HA2 GLY 1 2HA GLY 1 3.308 -1.210 -1.257 3 HA3 GLY 1 3HA GLY 1 3.656 -0.171 -2.631 4 H SER 2 H SER 2 4.477 -2.903 -2.274 5 HA SER 2 HA SER 2 7.401 -2.541 -2.168 6 HB2 SER 2 2HB SER 2 5.793 -5.011 -1.471 7 HB3 SER 2 3HB SER 2 7.554 -4.917 -1.489 8 HG SER 2 HG SER 2 6.464 -4.598 0.605 9 H LYS 3 H LYS 3 4.772 -4.398 -3.667 10 HA LYS 3 HA LYS 3 6.286 -4.421 -6.168 11 HB2 LYS 3 2HB LYS 3 4.972 -6.917 -5.090 12 HB3 LYS 3 3HB LYS 3 5.953 -6.770 -6.542 13 HG2 LYS 3 2HG LYS 3 7.535 -7.622 -5.181 14 HG3 LYS 3 3HG LYS 3 7.736 -5.924 -4.742 15 HD2 LYS 3 2HD LYS 3 7.505 -6.747 -2.645 16 HD3 LYS 3 3HD LYS 3 5.787 -6.607 -3.025 17 HE2 LYS 3 2HE LYS 3 5.498 -8.823 -2.989 18 HE3 LYS 3 3HE LYS 3 6.946 -9.110 -3.951 19 HZ1 LYS 3 1HZ LYS 3 7.893 -9.867 -2.114 20 HZ2 LYS 3 2HZ LYS 3 6.577 -9.401 -1.159 21 HZ3 LYS 3 3HZ LYS 3 7.830 -8.306 -1.463 22 H LYS 4 H LYS 4 5.036 -3.719 -7.759 23 HA LYS 4 HA LYS 4 2.223 -4.473 -7.854 24 HB2 LYS 4 2HB LYS 4 2.968 -1.577 -8.193 25 HB3 LYS 4 3HB LYS 4 1.367 -2.277 -7.993 26 HG2 LYS 4 2HG LYS 4 1.713 -1.380 -5.919 27 HG3 LYS 4 3HG LYS 4 2.310 -3.023 -5.670 28 HD2 LYS 4 2HD LYS 4 4.148 -2.011 -4.872 29 HD3 LYS 4 3HD LYS 4 4.548 -1.752 -6.572 30 HE2 LYS 4 2HE LYS 4 2.866 0.207 -5.046 31 HE3 LYS 4 3HE LYS 4 4.626 0.262 -4.972 32 HZ1 LYS 4 1HZ LYS 4 4.323 0.169 -7.577 33 HZ2 LYS 4 2HZ LYS 4 4.285 1.631 -6.728 34 HZ3 LYS 4 3HZ LYS 4 2.839 0.887 -7.195 35 HA PRO 5 HA PRO 5 4.500 -4.439 -11.938 36 HB2 PRO 5 2HB PRO 5 3.930 -7.016 -12.575 37 HB3 PRO 5 3HB PRO 5 5.350 -6.551 -11.630 38 HG2 PRO 5 2HG PRO 5 2.715 -7.616 -10.690 39 HG3 PRO 5 3HG PRO 5 4.351 -8.043 -10.152 40 HD2 PRO 5 2HD PRO 5 2.754 -6.354 -8.763 41 HD3 PRO 5 3HD PRO 5 4.522 -6.190 -8.791 42 H VAL 6 H VAL 6 1.487 -6.202 -11.191 43 HA VAL 6 HA VAL 6 0.273 -4.945 -13.567 44 HB VAL 6 HB VAL 6 0.567 -7.465 -13.642 45 HG11 VAL 6 1HG1 VAL 6 -0.027 -7.835 -11.259 46 HG12 VAL 6 2HG1 VAL 6 -1.697 -7.421 -11.651 47 HG13 VAL 6 3HG1 VAL 6 -0.945 -8.841 -12.380 48 HG21 VAL 6 1HG2 VAL 6 -1.133 -6.026 -14.921 49 HG22 VAL 6 2HG2 VAL 6 -1.416 -7.765 -14.842 50 HG23 VAL 6 3HG2 VAL 6 -2.324 -6.676 -13.794 51 HA PRO 7 HA PRO 7 -2.424 -2.992 -10.637 52 HB2 PRO 7 2HB PRO 7 -4.141 -1.926 -12.450 53 HB3 PRO 7 3HB PRO 7 -2.534 -1.258 -12.140 54 HG2 PRO 7 2HG PRO 7 -3.442 -3.059 -14.352 55 HG3 PRO 7 3HG PRO 7 -2.378 -1.642 -14.428 56 HD2 PRO 7 2HD PRO 7 -1.429 -4.178 -14.432 57 HD3 PRO 7 3HD PRO 7 -0.539 -2.826 -13.701 58 H ILE 8 H ILE 8 -3.399 -5.329 -13.024 59 HA ILE 8 HA ILE 8 -5.941 -5.754 -11.603 60 HB ILE 8 HB ILE 8 -6.890 -6.612 -13.529 61 HG12 ILE 8 2HG1 ILE 8 -4.123 -7.444 -14.140 62 HG13 ILE 8 3HG1 ILE 8 -5.642 -8.291 -14.415 63 HG21 ILE 8 1HG2 ILE 8 -4.889 -4.702 -14.715 64 HG22 ILE 8 2HG2 ILE 8 -6.535 -5.020 -15.258 65 HG23 ILE 8 3HG2 ILE 8 -6.257 -4.191 -13.727 66 HD11 ILE 8 1HD1 ILE 8 -6.036 -6.725 -16.338 67 HD12 ILE 8 2HD1 ILE 8 -4.374 -6.174 -16.123 68 HD13 ILE 8 3HD1 ILE 8 -4.699 -7.858 -16.532 69 H ILE 9 H ILE 9 -6.407 -7.687 -10.678 70 HA ILE 9 HA ILE 9 -4.524 -9.906 -11.049 71 HB ILE 9 HB ILE 9 -3.945 -10.118 -8.875 72 HG12 ILE 9 2HG1 ILE 9 -6.097 -8.678 -7.506 73 HG13 ILE 9 3HG1 ILE 9 -6.671 -10.041 -8.462 74 HG21 ILE 9 1HG2 ILE 9 -4.830 -7.241 -8.745 75 HG22 ILE 9 2HG2 ILE 9 -3.548 -8.005 -7.808 76 HG23 ILE 9 3HG2 ILE 9 -3.363 -7.798 -9.550 77 HD11 ILE 9 1HD1 ILE 9 -5.971 -10.336 -5.959 78 HD12 ILE 9 2HD1 ILE 9 -5.604 -11.579 -7.156 79 HD13 ILE 9 3HD1 ILE 9 -4.352 -10.446 -6.649 80 H TYR 10 H TYR 10 -5.420 -11.906 -9.800 81 HA TYR 10 HA TYR 10 -8.346 -12.002 -9.954 82 HB2 TYR 10 2HB TYR 10 -8.006 -14.329 -11.047 83 HB3 TYR 10 3HB TYR 10 -7.867 -12.894 -12.056 84 HD1 TYR 10 HD1 TYR 10 -5.195 -13.736 -9.715 85 HD2 TYR 10 HD2 TYR 10 -6.568 -14.122 -13.723 86 HE1 TYR 10 HE1 TYR 10 -2.945 -14.447 -10.411 87 HE2 TYR 10 HE2 TYR 10 -4.323 -14.836 -14.430 88 HH TYR 10 HH TYR 10 -1.943 -14.529 -13.582 89 H CYS 11 H CYS 11 -7.923 -11.904 -7.594 90 HA CYS 11 HA CYS 11 -7.243 -14.564 -6.522 91 HB2 CYS 11 2HB CYS 11 -5.639 -12.944 -5.742 92 HB3 CYS 11 3HB CYS 11 -6.920 -11.834 -5.268 93 H ASN 12 H ASN 12 -9.124 -15.590 -6.213 94 HA ASN 12 HA ASN 12 -11.411 -14.113 -5.143 95 HB2 ASN 12 2HB ASN 12 -12.136 -15.390 -6.952 96 HB3 ASN 12 3HB ASN 12 -11.089 -16.746 -6.543 97 HD21 ASN 12 1HD2 ASN 12 -11.631 -17.916 -4.539 98 HD22 ASN 12 2HD2 ASN 12 -13.301 -18.115 -4.141 99 H ALA 13 H ALA 13 -12.785 -15.392 -3.537 100 HA ALA 13 HA ALA 13 -11.640 -15.570 -1.102 101 HB1 ALA 13 1HB ALA 13 -14.002 -15.713 -1.279 102 HB2 ALA 13 2HB ALA 13 -13.909 -17.219 -2.194 103 HB3 ALA 13 3HB ALA 13 -13.460 -17.194 -0.489 104 H ALA 14 H ALA 14 -11.518 -17.702 0.264 105 HA ALA 14 HA ALA 14 -9.203 -19.029 -0.303 106 HB1 ALA 14 1HB ALA 14 -10.221 -19.161 1.872 107 HB2 ALA 14 2HB ALA 14 -11.584 -20.073 1.222 108 HB3 ALA 14 3HB ALA 14 -9.975 -20.794 1.254 109 H THR 15 H THR 15 -8.975 -19.698 -2.417 110 HA THR 15 HA THR 15 -10.471 -22.123 -3.121 111 HB THR 15 HB THR 15 -11.534 -20.354 -4.395 112 HG1 THR 15 HG1 THR 15 -10.657 -21.153 -6.595 113 HG21 THR 15 1HG2 THR 15 -10.439 -18.771 -5.676 114 HG22 THR 15 2HG2 THR 15 -8.984 -19.755 -5.837 115 HG23 THR 15 3HG2 THR 15 -9.334 -18.940 -4.313 116 H GLY 16 H GLY 16 -9.329 -22.704 -5.526 117 HA2 GLY 16 2HA GLY 16 -6.608 -23.367 -4.704 118 HA3 GLY 16 3HA GLY 16 -7.491 -24.077 -6.046 119 H LYS 17 H LYS 17 -7.369 -20.628 -5.642 120 HA LYS 17 HA LYS 17 -5.078 -20.172 -7.271 121 HB2 LYS 17 2HB LYS 17 -5.924 -20.012 -9.344 122 HB3 LYS 17 3HB LYS 17 -7.294 -20.922 -8.720 123 HG2 LYS 17 2HG LYS 17 -7.238 -17.939 -8.520 124 HG3 LYS 17 3HG LYS 17 -7.718 -18.736 -10.020 125 HD2 LYS 17 2HD LYS 17 -9.180 -20.112 -8.180 126 HD3 LYS 17 3HD LYS 17 -9.144 -18.499 -7.465 127 HE2 LYS 17 2HE LYS 17 -9.727 -18.678 -10.363 128 HE3 LYS 17 3HE LYS 17 -10.974 -19.257 -9.261 129 HZ1 LYS 17 1HZ LYS 17 -11.550 -17.176 -8.846 130 HZ2 LYS 17 2HZ LYS 17 -10.400 -16.625 -9.957 131 HZ3 LYS 17 3HZ LYS 17 -9.985 -16.796 -8.326 132 H CYS 18 H CYS 18 -4.356 -18.153 -6.945 133 HA CYS 18 HA CYS 18 -6.016 -15.887 -6.596 134 HB2 CYS 18 2HB CYS 18 -6.555 -16.658 -4.431 135 HB3 CYS 18 3HB CYS 18 -4.908 -17.196 -4.121 136 H GLN 19 H GLN 19 -4.836 -14.323 -7.457 137 HA GLN 19 HA GLN 19 -2.448 -13.338 -6.559 138 HB2 GLN 19 2HB GLN 19 -0.978 -14.224 -8.552 139 HB3 GLN 19 3HB GLN 19 -1.118 -15.146 -7.061 140 HG2 GLN 19 2HG GLN 19 -2.213 -16.834 -8.050 141 HG3 GLN 19 3HG GLN 19 -3.142 -15.759 -9.095 142 HE21 GLN 19 1HE2 GLN 19 -1.121 -14.417 -10.386 143 HE22 GLN 19 2HE2 GLN 19 -0.244 -15.521 -11.384 144 H ARG 20 H ARG 20 -1.183 -12.879 -9.169 145 HA ARG 20 HA ARG 20 -3.276 -11.346 -10.547 146 HB2 ARG 20 2HB ARG 20 -2.072 -9.358 -10.531 147 HB3 ARG 20 3HB ARG 20 -1.783 -9.990 -8.916 148 HG2 ARG 20 2HG ARG 20 0.087 -10.086 -11.270 149 HG3 ARG 20 3HG ARG 20 0.276 -9.154 -9.783 150 HD2 ARG 20 2HD ARG 20 0.457 -12.128 -10.167 151 HD3 ARG 20 3HD ARG 20 1.682 -11.026 -9.538 152 HE ARG 20 HE ARG 20 -0.777 -11.297 -8.002 153 HH11 ARG 20 1HH1 ARG 20 2.579 -12.131 -8.405 154 HH12 ARG 20 2HH1 ARG 20 2.780 -12.656 -6.766 155 HH21 ARG 20 1HH2 ARG 20 -0.525 -11.986 -5.842 156 HH22 ARG 20 2HH2 ARG 20 1.013 -12.575 -5.310 157 H MET 21 H MET 21 -2.261 -10.382 -12.660 158 HA MET 21 HA MET 21 -1.414 -12.608 -14.224 159 HB2 MET 21 2HB MET 21 -2.157 -9.791 -14.712 160 HB3 MET 21 3HB MET 21 -1.043 -10.491 -15.879 161 HG2 MET 21 2HG MET 21 -3.391 -12.131 -15.193 162 HG3 MET 21 3HG MET 21 -3.713 -10.641 -16.076 163 HE1 MET 21 1HE MET 21 -2.718 -10.008 -18.296 164 HE2 MET 21 2HE MET 21 -1.027 -10.403 -17.990 165 HE3 MET 21 3HE MET 21 -1.850 -11.080 -19.396 166 H1 GLY 33 H GLY 33 -26.577 -18.864 -20.022 167 HA2 GLY 33 2HA GLY 33 -26.712 -20.622 -17.693 168 HA3 GLY 33 3HA GLY 33 -27.999 -20.335 -18.854 169 H SER 34 H SER 34 -24.882 -20.989 -20.137 170 HA SER 34 HA SER 34 -25.840 -23.601 -21.053 171 HB2 SER 34 2HB SER 34 -25.027 -21.855 -22.698 172 HB3 SER 34 3HB SER 34 -23.411 -22.093 -22.035 173 HG SER 34 HG SER 34 -24.949 -24.262 -22.983 174 H LYS 35 H LYS 35 -22.975 -22.082 -19.608 175 HA LYS 35 HA LYS 35 -22.339 -24.628 -18.319 176 HB2 LYS 35 2HB LYS 35 -19.893 -24.228 -18.879 177 HB3 LYS 35 3HB LYS 35 -20.916 -24.774 -20.202 178 HG2 LYS 35 2HG LYS 35 -20.742 -21.867 -19.968 179 HG3 LYS 35 3HG LYS 35 -19.199 -22.659 -20.299 180 HD2 LYS 35 2HD LYS 35 -21.591 -23.478 -21.874 181 HD3 LYS 35 3HD LYS 35 -20.818 -21.938 -22.253 182 HE2 LYS 35 2HE LYS 35 -19.020 -24.258 -21.931 183 HE3 LYS 35 3HE LYS 35 -20.082 -24.289 -23.338 184 HZ1 LYS 35 1HZ LYS 35 -17.931 -23.239 -23.797 185 HZ2 LYS 35 2HZ LYS 35 -18.260 -22.050 -22.640 186 HZ3 LYS 35 3HZ LYS 35 -19.219 -22.166 -24.029 187 H LYS 36 H LYS 36 -22.037 -24.300 -16.224 188 HA LYS 36 HA LYS 36 -20.606 -21.951 -15.288 189 HB2 LYS 36 2HB LYS 36 -22.375 -21.395 -13.633 190 HB3 LYS 36 3HB LYS 36 -22.870 -21.117 -15.297 191 HG2 LYS 36 2HG LYS 36 -23.527 -23.719 -14.003 192 HG3 LYS 36 3HG LYS 36 -24.477 -22.285 -13.605 193 HD2 LYS 36 2HD LYS 36 -24.703 -21.970 -16.141 194 HD3 LYS 36 3HD LYS 36 -24.136 -23.637 -16.266 195 HE2 LYS 36 2HE LYS 36 -26.040 -23.994 -14.439 196 HE3 LYS 36 3HE LYS 36 -26.702 -22.565 -15.231 197 HZ1 LYS 36 1HZ LYS 36 -26.893 -23.675 -17.245 198 HZ2 LYS 36 2HZ LYS 36 -27.369 -24.845 -16.120 199 HZ3 LYS 36 3HZ LYS 36 -25.821 -24.906 -16.800 200 HA PRO 37 HA PRO 37 -19.845 -25.951 -12.986 201 HB2 PRO 37 2HB PRO 37 -17.157 -25.965 -13.369 202 HB3 PRO 37 3HB PRO 37 -18.294 -26.688 -14.512 203 HG2 PRO 37 2HG PRO 37 -16.938 -24.022 -14.620 204 HG3 PRO 37 3HG PRO 37 -17.195 -25.199 -15.921 205 HD2 PRO 37 2HD PRO 37 -18.750 -23.004 -15.616 206 HD3 PRO 37 3HD PRO 37 -19.375 -24.534 -16.263 207 H VAL 38 H VAL 38 -17.896 -22.975 -13.075 208 HA VAL 38 HA VAL 38 -17.622 -23.154 -10.146 209 HB VAL 38 HB VAL 38 -15.487 -23.218 -11.467 210 HG11 VAL 38 1HG1 VAL 38 -14.683 -21.273 -12.575 211 HG12 VAL 38 2HG1 VAL 38 -16.300 -21.594 -13.204 212 HG13 VAL 38 3HG1 VAL 38 -16.053 -20.312 -12.018 213 HG21 VAL 38 1HG2 VAL 38 -14.306 -21.908 -9.926 214 HG22 VAL 38 2HG2 VAL 38 -15.618 -20.739 -9.778 215 HG23 VAL 38 3HG2 VAL 38 -15.788 -22.348 -9.077 216 HA PRO 39 HA PRO 39 -20.264 -19.589 -10.041 217 HB2 PRO 39 2HB PRO 39 -20.020 -19.105 -7.381 218 HB3 PRO 39 3HB PRO 39 -21.020 -20.409 -8.032 219 HG2 PRO 39 2HG PRO 39 -18.254 -20.531 -6.892 220 HG3 PRO 39 3HG PRO 39 -19.621 -21.631 -6.633 221 HD2 PRO 39 2HD PRO 39 -17.598 -22.197 -8.342 222 HD3 PRO 39 3HD PRO 39 -19.265 -22.743 -8.620 223 H ILE 40 H ILE 40 -16.948 -19.681 -8.973 224 HA ILE 40 HA ILE 40 -16.818 -16.751 -8.923 225 HB ILE 40 HB ILE 40 -14.916 -16.877 -7.630 226 HG12 ILE 40 2HG1 ILE 40 -14.422 -19.357 -9.159 227 HG13 ILE 40 3HG1 ILE 40 -13.298 -18.099 -8.658 228 HG21 ILE 40 1HG2 ILE 40 -16.933 -17.947 -6.543 229 HG22 ILE 40 2HG2 ILE 40 -16.170 -19.502 -6.871 230 HG23 ILE 40 3HG2 ILE 40 -15.370 -18.331 -5.824 231 HD11 ILE 40 1HD1 ILE 40 -14.320 -20.410 -7.039 232 HD12 ILE 40 2HD1 ILE 40 -12.663 -20.077 -7.543 233 HD13 ILE 40 3HD1 ILE 40 -13.442 -19.050 -6.339 234 H ILE 41 H ILE 41 -15.592 -15.592 -10.335 235 HA ILE 41 HA ILE 41 -13.985 -17.051 -12.309 236 HB ILE 41 HB ILE 41 -15.131 -16.378 -14.117 237 HG12 ILE 41 2HG1 ILE 41 -16.404 -13.904 -13.255 238 HG13 ILE 41 3HG1 ILE 41 -14.660 -13.869 -13.013 239 HG21 ILE 41 1HG2 ILE 41 -17.514 -16.182 -13.799 240 HG22 ILE 41 2HG2 ILE 41 -16.864 -17.345 -12.645 241 HG23 ILE 41 3HG2 ILE 41 -17.284 -15.717 -12.114 242 HD11 ILE 41 1HD1 ILE 41 -14.214 -13.937 -15.242 243 HD12 ILE 41 2HD1 ILE 41 -15.692 -14.821 -15.626 244 HD13 ILE 41 3HD1 ILE 41 -15.764 -13.095 -15.269 245 H TYR 42 H TYR 42 -12.721 -15.433 -13.704 246 HA TYR 42 HA TYR 42 -11.996 -13.023 -12.205 247 HB2 TYR 42 2HB TYR 42 -9.542 -13.647 -12.759 248 HB3 TYR 42 3HB TYR 42 -10.321 -14.428 -11.387 249 HD1 TYR 42 HD1 TYR 42 -8.648 -16.235 -11.495 250 HD2 TYR 42 HD2 TYR 42 -11.277 -15.446 -14.746 251 HE1 TYR 42 HE1 TYR 42 -8.119 -18.440 -12.449 252 HE2 TYR 42 HE2 TYR 42 -10.756 -17.649 -15.709 253 HH TYR 42 HH TYR 42 -8.232 -19.676 -14.400 254 H CYS 43 H CYS 43 -13.290 -12.192 -14.051 255 HA CYS 43 HA CYS 43 -11.722 -12.060 -16.538 256 HB2 CYS 43 2HB CYS 43 -13.907 -12.916 -16.982 257 HB3 CYS 43 3HB CYS 43 -14.667 -11.662 -16.006 258 H ASN 44 H ASN 44 -10.386 -10.354 -16.358 259 HA ASN 44 HA ASN 44 -11.362 -7.862 -15.196 260 HB2 ASN 44 2HB ASN 44 -9.226 -8.313 -14.379 261 HB3 ASN 44 3HB ASN 44 -8.653 -8.921 -15.929 262 HD21 ASN 44 1HD2 ASN 44 -8.419 -7.330 -17.667 263 HD22 ASN 44 2HD2 ASN 44 -7.915 -5.729 -17.255 264 H ALA 45 H ALA 45 -10.612 -5.812 -16.359 265 HA ALA 45 HA ALA 45 -11.992 -5.353 -18.634 266 HB1 ALA 45 1HB ALA 45 -10.162 -3.575 -19.124 267 HB2 ALA 45 2HB ALA 45 -11.128 -3.449 -17.653 268 HB3 ALA 45 3HB ALA 45 -9.491 -4.102 -17.581 269 H ALA 46 H ALA 46 -10.926 -4.656 -20.826 270 HA ALA 46 HA ALA 46 -10.302 -6.883 -22.285 271 HB1 ALA 46 1HB ALA 46 -9.336 -5.319 -23.978 272 HB2 ALA 46 2HB ALA 46 -10.937 -4.865 -23.391 273 HB3 ALA 46 3HB ALA 46 -9.507 -4.023 -22.794 274 H THR 47 H THR 47 -8.790 -8.242 -21.381 275 HA THR 47 HA THR 47 -6.006 -7.338 -21.598 276 HB THR 47 HB THR 47 -6.499 -7.231 -19.228 277 HG1 THR 47 HG1 THR 47 -4.461 -7.981 -19.519 278 HG21 THR 47 1HG2 THR 47 -7.496 -8.909 -17.978 279 HG22 THR 47 2HG2 THR 47 -7.100 -10.162 -19.155 280 HG23 THR 47 3HG2 THR 47 -8.387 -9.006 -19.496 281 H GLY 48 H GLY 48 -4.727 -9.640 -20.846 282 HA2 GLY 48 2HA GLY 48 -5.379 -11.380 -23.094 283 HA3 GLY 48 3HA GLY 48 -3.905 -11.421 -22.138 284 H LYS 49 H LYS 49 -6.946 -11.326 -20.498 285 HA LYS 49 HA LYS 49 -7.374 -14.130 -20.323 286 HB2 LYS 49 2HB LYS 49 -6.141 -14.736 -18.560 287 HB3 LYS 49 3HB LYS 49 -5.312 -13.192 -18.698 288 HG2 LYS 49 2HG LYS 49 -7.870 -13.325 -17.180 289 HG3 LYS 49 3HG LYS 49 -6.391 -13.940 -16.438 290 HD2 LYS 49 2HD LYS 49 -5.304 -11.781 -16.806 291 HD3 LYS 49 3HD LYS 49 -6.773 -11.167 -17.568 292 HE2 LYS 49 2HE LYS 49 -7.347 -10.449 -15.533 293 HE3 LYS 49 3HE LYS 49 -7.680 -12.140 -15.159 294 HZ1 LYS 49 1HZ LYS 49 -6.264 -11.447 -13.473 295 HZ2 LYS 49 2HZ LYS 49 -5.276 -10.552 -14.513 296 HZ3 LYS 49 3HZ LYS 49 -5.221 -12.242 -14.541 297 H CYS 50 H CYS 50 -9.413 -14.505 -19.680 298 HA CYS 50 HA CYS 50 -10.794 -12.992 -17.731 299 HB2 CYS 50 2HB CYS 50 -11.123 -11.207 -19.163 300 HB3 CYS 50 3HB CYS 50 -11.151 -12.227 -20.597 301 H GLN 51 H GLN 51 -11.881 -14.612 -16.836 302 HA GLN 51 HA GLN 51 -14.067 -15.863 -17.918 303 HB2 GLN 51 2HB GLN 51 -13.265 -18.122 -18.465 304 HB3 GLN 51 3HB GLN 51 -12.584 -16.910 -19.541 305 HG2 GLN 51 2HG GLN 51 -11.108 -17.899 -17.126 306 HG3 GLN 51 3HG GLN 51 -11.030 -18.727 -18.681 307 HE21 GLN 51 1HE2 GLN 51 -10.004 -16.026 -16.830 308 HE22 GLN 51 2HE2 GLN 51 -8.937 -15.344 -18.005 309 H ARG 52 H ARG 52 -13.118 -18.590 -16.826 310 HA ARG 52 HA ARG 52 -13.024 -17.909 -13.974 311 HB2 ARG 52 2HB ARG 52 -14.856 -19.216 -13.399 312 HB3 ARG 52 3HB ARG 52 -15.389 -18.459 -14.894 313 HG2 ARG 52 2HG ARG 52 -14.368 -21.266 -14.539 314 HG3 ARG 52 3HG ARG 52 -16.010 -20.763 -14.944 315 HD2 ARG 52 2HD ARG 52 -13.534 -20.637 -16.638 316 HD3 ARG 52 3HD ARG 52 -15.060 -21.453 -16.978 317 HE ARG 52 HE ARG 52 -15.084 -18.541 -16.766 318 HH11 ARG 52 1HH1 ARG 52 -15.200 -21.393 -18.760 319 HH12 ARG 52 2HH1 ARG 52 -15.831 -20.560 -20.142 320 HH21 ARG 52 1HH2 ARG 52 -15.915 -17.433 -18.579 321 HH22 ARG 52 2HH2 ARG 52 -16.237 -18.307 -20.038 322 H MET 53 H MET 53 -12.776 -20.081 -12.681 323 HA MET 53 HA MET 53 -10.374 -21.310 -13.687 324 HB2 MET 53 2HB MET 53 -11.770 -21.117 -11.122 325 HB3 MET 53 3HB MET 53 -11.050 -22.696 -11.402 326 HG2 MET 53 2HG MET 53 -9.519 -20.133 -11.713 327 HG3 MET 53 3HG MET 53 -9.628 -21.009 -10.187 328 HE1 MET 53 1HE MET 53 -7.530 -23.928 -10.367 329 HE2 MET 53 2HE MET 53 -9.038 -23.226 -9.782 330 HE3 MET 53 3HE MET 53 -9.055 -24.336 -11.154 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.346 -0.463 -2.805 2 HA2 GLY 1 2HA GLY 1 3.182 0.473 -1.222 3 HA3 GLY 1 3HA GLY 1 2.390 -1.024 -0.754 4 H SER 2 H SER 2 3.437 -3.044 -1.324 5 HA SER 2 HA SER 2 6.351 -2.761 -1.225 6 HB2 SER 2 2HB SER 2 4.575 -5.133 -0.604 7 HB3 SER 2 3HB SER 2 6.333 -5.124 -0.464 8 HG SER 2 HG SER 2 5.886 -3.197 0.967 9 H LYS 3 H LYS 3 3.820 -4.568 -2.934 10 HA LYS 3 HA LYS 3 5.596 -4.758 -5.250 11 HB2 LYS 3 2HB LYS 3 4.041 -7.140 -4.237 12 HB3 LYS 3 3HB LYS 3 5.173 -7.101 -5.583 13 HG2 LYS 3 2HG LYS 3 6.592 -7.946 -4.063 14 HG3 LYS 3 3HG LYS 3 6.779 -6.254 -3.597 15 HD2 LYS 3 2HD LYS 3 4.924 -6.606 -1.942 16 HD3 LYS 3 3HD LYS 3 5.005 -8.329 -2.318 17 HE2 LYS 3 2HE LYS 3 7.549 -6.984 -1.621 18 HE3 LYS 3 3HE LYS 3 6.381 -7.199 -0.318 19 HZ1 LYS 3 1HZ LYS 3 7.903 -9.198 -1.798 20 HZ2 LYS 3 2HZ LYS 3 6.326 -9.619 -1.354 21 HZ3 LYS 3 3HZ LYS 3 7.447 -9.172 -0.169 22 H LYS 4 H LYS 4 4.567 -4.055 -6.993 23 HA LYS 4 HA LYS 4 1.769 -4.708 -7.421 24 HB2 LYS 4 2HB LYS 4 1.173 -2.343 -7.899 25 HB3 LYS 4 3HB LYS 4 1.560 -2.632 -6.208 26 HG2 LYS 4 2HG LYS 4 3.702 -1.677 -8.046 27 HG3 LYS 4 3HG LYS 4 2.493 -0.536 -7.451 28 HD2 LYS 4 2HD LYS 4 3.054 -1.451 -5.123 29 HD3 LYS 4 3HD LYS 4 4.483 -2.153 -5.885 30 HE2 LYS 4 2HE LYS 4 4.572 0.405 -6.810 31 HE3 LYS 4 3HE LYS 4 3.874 0.639 -5.209 32 HZ1 LYS 4 1HZ LYS 4 5.761 -0.745 -4.352 33 HZ2 LYS 4 2HZ LYS 4 6.200 0.769 -4.964 34 HZ3 LYS 4 3HZ LYS 4 6.467 -0.624 -5.885 35 HA PRO 5 HA PRO 5 4.537 -4.673 -11.191 36 HB2 PRO 5 2HB PRO 5 4.011 -7.234 -11.923 37 HB3 PRO 5 3HB PRO 5 5.310 -6.802 -10.805 38 HG2 PRO 5 2HG PRO 5 2.563 -7.833 -10.210 39 HG3 PRO 5 3HG PRO 5 4.113 -8.292 -9.480 40 HD2 PRO 5 2HD PRO 5 2.383 -6.590 -8.278 41 HD3 PRO 5 3HD PRO 5 4.143 -6.456 -8.086 42 H VAL 6 H VAL 6 1.399 -6.322 -10.796 43 HA VAL 6 HA VAL 6 0.499 -5.003 -13.275 44 HB VAL 6 HB VAL 6 0.841 -7.551 -13.374 45 HG11 VAL 6 1HG1 VAL 6 -0.226 -7.984 -11.174 46 HG12 VAL 6 2HG1 VAL 6 -1.776 -7.513 -11.876 47 HG13 VAL 6 3HG1 VAL 6 -0.921 -8.928 -12.492 48 HG21 VAL 6 1HG2 VAL 6 -0.926 -7.788 -14.919 49 HG22 VAL 6 2HG2 VAL 6 -1.930 -6.611 -14.072 50 HG23 VAL 6 3HG2 VAL 6 -0.497 -6.077 -14.952 51 HA PRO 7 HA PRO 7 -2.599 -3.236 -10.653 52 HB2 PRO 7 2HB PRO 7 -4.162 -2.211 -12.622 53 HB3 PRO 7 3HB PRO 7 -2.624 -1.484 -12.139 54 HG2 PRO 7 2HG PRO 7 -3.224 -3.286 -14.454 55 HG3 PRO 7 3HG PRO 7 -2.218 -1.826 -14.403 56 HD2 PRO 7 2HD PRO 7 -1.169 -4.322 -14.337 57 HD3 PRO 7 3HD PRO 7 -0.417 -2.947 -13.503 58 H ILE 8 H ILE 8 -3.273 -5.513 -13.217 59 HA ILE 8 HA ILE 8 -5.926 -6.062 -12.083 60 HB ILE 8 HB ILE 8 -6.562 -7.038 -14.102 61 HG12 ILE 8 2HG1 ILE 8 -3.641 -7.494 -14.452 62 HG13 ILE 8 3HG1 ILE 8 -4.991 -8.587 -14.736 63 HG21 ILE 8 1HG2 ILE 8 -4.633 -4.951 -15.080 64 HG22 ILE 8 2HG2 ILE 8 -6.216 -5.372 -15.732 65 HG23 ILE 8 3HG2 ILE 8 -6.093 -4.546 -14.179 66 HD11 ILE 8 1HD1 ILE 8 -4.118 -8.154 -16.851 67 HD12 ILE 8 2HD1 ILE 8 -5.532 -7.105 -16.740 68 HD13 ILE 8 3HD1 ILE 8 -3.916 -6.435 -16.517 69 H ILE 9 H ILE 9 -6.293 -7.849 -10.939 70 HA ILE 9 HA ILE 9 -4.453 -10.121 -11.206 71 HB ILE 9 HB ILE 9 -3.856 -10.215 -9.029 72 HG12 ILE 9 2HG1 ILE 9 -5.970 -8.679 -7.715 73 HG13 ILE 9 3HG1 ILE 9 -6.582 -10.071 -8.602 74 HG21 ILE 9 1HG2 ILE 9 -4.711 -7.327 -9.016 75 HG22 ILE 9 2HG2 ILE 9 -3.396 -8.064 -8.101 76 HG23 ILE 9 3HG2 ILE 9 -3.281 -7.927 -9.855 77 HD11 ILE 9 1HD1 ILE 9 -4.258 -10.420 -6.776 78 HD12 ILE 9 2HD1 ILE 9 -5.884 -10.289 -6.104 79 HD13 ILE 9 3HD1 ILE 9 -5.504 -11.573 -7.251 80 H TYR 10 H TYR 10 -5.364 -12.042 -9.870 81 HA TYR 10 HA TYR 10 -8.294 -12.096 -9.970 82 HB2 TYR 10 2HB TYR 10 -8.031 -14.461 -10.973 83 HB3 TYR 10 3HB TYR 10 -7.839 -13.079 -12.046 84 HD1 TYR 10 HD1 TYR 10 -6.616 -14.516 -13.634 85 HD2 TYR 10 HD2 TYR 10 -5.174 -13.834 -9.689 86 HE1 TYR 10 HE1 TYR 10 -4.401 -15.346 -14.307 87 HE2 TYR 10 HE2 TYR 10 -2.954 -14.661 -10.352 88 HH TYR 10 HH TYR 10 -2.192 -16.418 -12.431 89 H CYS 11 H CYS 11 -7.847 -11.905 -7.626 90 HA CYS 11 HA CYS 11 -7.192 -14.526 -6.447 91 HB2 CYS 11 2HB CYS 11 -5.540 -12.896 -5.778 92 HB3 CYS 11 3HB CYS 11 -6.795 -11.753 -5.311 93 H ASN 12 H ASN 12 -9.106 -15.485 -6.096 94 HA ASN 12 HA ASN 12 -11.327 -13.912 -5.025 95 HB2 ASN 12 2HB ASN 12 -12.122 -15.220 -6.782 96 HB3 ASN 12 3HB ASN 12 -11.108 -16.594 -6.350 97 HD21 ASN 12 1HD2 ASN 12 -11.650 -17.696 -4.314 98 HD22 ASN 12 2HD2 ASN 12 -13.316 -17.829 -3.876 99 H ALA 13 H ALA 13 -12.702 -15.088 -3.350 100 HA ALA 13 HA ALA 13 -11.512 -15.234 -0.936 101 HB1 ALA 13 1HB ALA 13 -14.027 -15.625 -1.761 102 HB2 ALA 13 2HB ALA 13 -13.603 -17.284 -1.339 103 HB3 ALA 13 3HB ALA 13 -13.480 -16.007 -0.128 104 H ALA 14 H ALA 14 -11.447 -17.338 0.489 105 HA ALA 14 HA ALA 14 -9.184 -18.752 -0.069 106 HB1 ALA 14 1HB ALA 14 -10.198 -18.798 2.117 107 HB2 ALA 14 2HB ALA 14 -11.582 -19.698 1.495 108 HB3 ALA 14 3HB ALA 14 -9.988 -20.451 1.538 109 H THR 15 H THR 15 -9.000 -19.472 -2.172 110 HA THR 15 HA THR 15 -10.582 -21.862 -2.809 111 HB THR 15 HB THR 15 -11.591 -20.088 -4.119 112 HG1 THR 15 HG1 THR 15 -11.655 -21.721 -5.480 113 HG21 THR 15 1HG2 THR 15 -9.334 -18.753 -4.075 114 HG22 THR 15 2HG2 THR 15 -10.453 -18.562 -5.425 115 HG23 THR 15 3HG2 THR 15 -9.038 -19.601 -5.593 116 H GLY 16 H GLY 16 -9.474 -22.525 -5.214 117 HA2 GLY 16 2HA GLY 16 -6.771 -23.265 -4.389 118 HA3 GLY 16 3HA GLY 16 -7.690 -23.982 -5.705 119 H LYS 17 H LYS 17 -7.477 -20.531 -5.419 120 HA LYS 17 HA LYS 17 -5.174 -20.185 -7.058 121 HB2 LYS 17 2HB LYS 17 -6.016 -20.020 -9.139 122 HB3 LYS 17 3HB LYS 17 -7.359 -20.959 -8.500 123 HG2 LYS 17 2HG LYS 17 -7.355 -17.965 -8.393 124 HG3 LYS 17 3HG LYS 17 -7.893 -18.843 -9.827 125 HD2 LYS 17 2HD LYS 17 -9.206 -20.120 -7.763 126 HD3 LYS 17 3HD LYS 17 -9.238 -18.423 -7.279 127 HE2 LYS 17 2HE LYS 17 -9.854 -18.852 -10.102 128 HE3 LYS 17 3HE LYS 17 -10.995 -19.629 -9.006 129 HZ1 LYS 17 1HZ LYS 17 -11.535 -17.286 -9.664 130 HZ2 LYS 17 2HZ LYS 17 -10.206 -16.786 -8.746 131 HZ3 LYS 17 3HZ LYS 17 -11.501 -17.576 -7.998 132 H CYS 18 H CYS 18 -4.401 -18.179 -6.783 133 HA CYS 18 HA CYS 18 -6.009 -15.862 -6.521 134 HB2 CYS 18 2HB CYS 18 -6.574 -16.507 -4.334 135 HB3 CYS 18 3HB CYS 18 -4.963 -17.137 -4.007 136 H GLN 19 H GLN 19 -4.791 -14.363 -7.442 137 HA GLN 19 HA GLN 19 -2.388 -13.392 -6.576 138 HB2 GLN 19 2HB GLN 19 -0.923 -14.393 -8.515 139 HB3 GLN 19 3HB GLN 19 -1.096 -15.251 -6.989 140 HG2 GLN 19 2HG GLN 19 -2.189 -16.962 -7.928 141 HG3 GLN 19 3HG GLN 19 -3.130 -15.913 -8.987 142 HE21 GLN 19 1HE2 GLN 19 -1.124 -14.621 -10.352 143 HE22 GLN 19 2HE2 GLN 19 -0.271 -15.759 -11.332 144 H ARG 20 H ARG 20 -1.104 -13.092 -9.208 145 HA ARG 20 HA ARG 20 -3.151 -11.636 -10.716 146 HB2 ARG 20 2HB ARG 20 -2.041 -9.598 -10.692 147 HB3 ARG 20 3HB ARG 20 -1.800 -10.169 -9.046 148 HG2 ARG 20 2HG ARG 20 0.178 -10.232 -11.311 149 HG3 ARG 20 3HG ARG 20 0.261 -9.274 -9.831 150 HD2 ARG 20 2HD ARG 20 0.578 -12.244 -10.159 151 HD3 ARG 20 3HD ARG 20 1.734 -11.085 -9.504 152 HE ARG 20 HE ARG 20 -0.768 -11.411 -8.054 153 HH11 ARG 20 1HH1 ARG 20 2.616 -12.180 -8.330 154 HH12 ARG 20 2HH1 ARG 20 2.770 -12.685 -6.680 155 HH21 ARG 20 1HH2 ARG 20 -0.579 -12.074 -5.879 156 HH22 ARG 20 2HH2 ARG 20 0.952 -12.626 -5.287 157 H MET 21 H MET 21 -2.054 -10.708 -12.801 158 HA MET 21 HA MET 21 0.169 -12.186 -13.833 159 HB2 MET 21 2HB MET 21 -0.833 -13.738 -15.157 160 HB3 MET 21 3HB MET 21 -2.089 -13.632 -13.931 161 HG2 MET 21 2HG MET 21 -3.384 -13.402 -15.766 162 HG3 MET 21 3HG MET 21 -2.959 -11.709 -15.532 163 HE1 MET 21 1HE MET 21 -2.157 -14.377 -19.024 164 HE2 MET 21 2HE MET 21 -1.271 -14.943 -17.607 165 HE3 MET 21 3HE MET 21 -3.019 -14.716 -17.522 166 H1 GLY 33 H GLY 33 -25.610 -19.651 -18.491 167 HA2 GLY 33 2HA GLY 33 -27.450 -20.978 -17.888 168 HA3 GLY 33 3HA GLY 33 -28.302 -20.408 -19.315 169 H SER 34 H SER 34 -25.048 -21.737 -19.321 170 HA SER 34 HA SER 34 -26.072 -24.189 -20.576 171 HB2 SER 34 2HB SER 34 -24.801 -22.138 -21.980 172 HB3 SER 34 3HB SER 34 -23.543 -23.349 -21.734 173 HG SER 34 HG SER 34 -25.136 -23.475 -23.632 174 H LYS 35 H LYS 35 -23.226 -22.568 -19.202 175 HA LYS 35 HA LYS 35 -22.571 -25.035 -17.778 176 HB2 LYS 35 2HB LYS 35 -20.182 -24.819 -18.377 177 HB3 LYS 35 3HB LYS 35 -21.199 -25.151 -19.773 178 HG2 LYS 35 2HG LYS 35 -21.074 -22.376 -19.633 179 HG3 LYS 35 3HG LYS 35 -19.438 -22.928 -19.265 180 HD2 LYS 35 2HD LYS 35 -20.798 -24.256 -21.530 181 HD3 LYS 35 3HD LYS 35 -20.348 -22.565 -21.766 182 HE2 LYS 35 2HE LYS 35 -18.071 -23.482 -20.692 183 HE3 LYS 35 3HE LYS 35 -18.647 -24.966 -21.451 184 HZ1 LYS 35 1HZ LYS 35 -17.281 -22.952 -22.684 185 HZ2 LYS 35 2HZ LYS 35 -18.878 -22.704 -23.182 186 HZ3 LYS 35 3HZ LYS 35 -18.130 -24.196 -23.455 187 H LYS 36 H LYS 36 -22.271 -24.593 -15.704 188 HA LYS 36 HA LYS 36 -20.901 -22.147 -14.910 189 HB2 LYS 36 2HB LYS 36 -23.515 -22.852 -13.595 190 HB3 LYS 36 3HB LYS 36 -22.594 -21.359 -13.462 191 HG2 LYS 36 2HG LYS 36 -24.287 -20.703 -14.850 192 HG3 LYS 36 3HG LYS 36 -23.066 -21.189 -16.028 193 HD2 LYS 36 2HD LYS 36 -24.708 -22.438 -16.912 194 HD3 LYS 36 3HD LYS 36 -24.374 -23.542 -15.575 195 HE2 LYS 36 2HE LYS 36 -26.052 -21.869 -14.338 196 HE3 LYS 36 3HE LYS 36 -26.638 -21.677 -15.990 197 HZ1 LYS 36 1HZ LYS 36 -27.295 -23.856 -16.107 198 HZ2 LYS 36 2HZ LYS 36 -27.607 -23.526 -14.478 199 HZ3 LYS 36 3HZ LYS 36 -26.214 -24.380 -14.916 200 HA PRO 37 HA PRO 37 -19.850 -25.996 -12.472 201 HB2 PRO 37 2HB PRO 37 -17.177 -25.872 -12.928 202 HB3 PRO 37 3HB PRO 37 -18.299 -26.705 -14.011 203 HG2 PRO 37 2HG PRO 37 -17.104 -23.972 -14.261 204 HG3 PRO 37 3HG PRO 37 -17.325 -25.214 -15.506 205 HD2 PRO 37 2HD PRO 37 -18.997 -23.101 -15.245 206 HD3 PRO 37 3HD PRO 37 -19.548 -24.690 -15.814 207 H VAL 38 H VAL 38 -17.925 -23.005 -12.742 208 HA VAL 38 HA VAL 38 -17.681 -22.994 -9.805 209 HB VAL 38 HB VAL 38 -15.538 -23.139 -11.098 210 HG11 VAL 38 1HG1 VAL 38 -16.114 -20.284 -11.865 211 HG12 VAL 38 2HG1 VAL 38 -14.728 -21.271 -12.333 212 HG13 VAL 38 3HG1 VAL 38 -16.334 -21.653 -12.956 213 HG21 VAL 38 1HG2 VAL 38 -15.668 -20.541 -9.604 214 HG22 VAL 38 2HG2 VAL 38 -15.874 -22.086 -8.778 215 HG23 VAL 38 3HG2 VAL 38 -14.373 -21.738 -9.636 216 HA PRO 39 HA PRO 39 -20.329 -19.431 -9.942 217 HB2 PRO 39 2HB PRO 39 -20.115 -18.792 -7.313 218 HB3 PRO 39 3HB PRO 39 -21.108 -20.133 -7.898 219 HG2 PRO 39 2HG PRO 39 -18.356 -20.187 -6.721 220 HG3 PRO 39 3HG PRO 39 -19.726 -21.270 -6.414 221 HD2 PRO 39 2HD PRO 39 -17.684 -21.935 -8.063 222 HD3 PRO 39 3HD PRO 39 -19.348 -22.497 -8.328 223 H ILE 40 H ILE 40 -17.019 -19.467 -8.871 224 HA ILE 40 HA ILE 40 -16.891 -16.535 -8.995 225 HB ILE 40 HB ILE 40 -15.028 -16.569 -7.647 226 HG12 ILE 40 2HG1 ILE 40 -14.474 -19.129 -9.014 227 HG13 ILE 40 3HG1 ILE 40 -13.374 -17.833 -8.559 228 HG21 ILE 40 1HG2 ILE 40 -16.270 -19.157 -6.755 229 HG22 ILE 40 2HG2 ILE 40 -15.509 -17.912 -5.766 230 HG23 ILE 40 3HG2 ILE 40 -17.060 -17.595 -6.543 231 HD11 ILE 40 1HD1 ILE 40 -13.542 -18.647 -6.200 232 HD12 ILE 40 2HD1 ILE 40 -14.427 -20.042 -6.819 233 HD13 ILE 40 3HD1 ILE 40 -12.762 -19.758 -7.326 234 H ILE 41 H ILE 41 -15.576 -15.475 -10.422 235 HA ILE 41 HA ILE 41 -13.975 -17.080 -12.283 236 HB ILE 41 HB ILE 41 -15.072 -16.482 -14.144 237 HG12 ILE 41 2HG1 ILE 41 -16.272 -13.920 -13.472 238 HG13 ILE 41 3HG1 ILE 41 -14.538 -13.926 -13.170 239 HG21 ILE 41 1HG2 ILE 41 -17.442 -16.224 -13.895 240 HG22 ILE 41 2HG2 ILE 41 -16.859 -17.280 -12.608 241 HG23 ILE 41 3HG2 ILE 41 -17.248 -15.596 -12.258 242 HD11 ILE 41 1HD1 ILE 41 -14.017 -14.161 -15.375 243 HD12 ILE 41 2HD1 ILE 41 -15.525 -14.994 -15.758 244 HD13 ILE 41 3HD1 ILE 41 -15.521 -13.249 -15.504 245 H TYR 42 H TYR 42 -12.627 -15.584 -13.726 246 HA TYR 42 HA TYR 42 -11.875 -13.108 -12.357 247 HB2 TYR 42 2HB TYR 42 -9.422 -13.841 -12.800 248 HB3 TYR 42 3HB TYR 42 -10.263 -14.489 -11.395 249 HD1 TYR 42 HD1 TYR 42 -11.156 -15.727 -14.700 250 HD2 TYR 42 HD2 TYR 42 -8.664 -16.358 -11.310 251 HE1 TYR 42 HE1 TYR 42 -10.686 -18.012 -15.478 252 HE2 TYR 42 HE2 TYR 42 -8.186 -18.644 -12.079 253 HH TYR 42 HH TYR 42 -9.723 -19.962 -14.991 254 H CYS 43 H CYS 43 -13.077 -12.349 -14.288 255 HA CYS 43 HA CYS 43 -11.420 -12.413 -16.721 256 HB2 CYS 43 2HB CYS 43 -13.614 -13.273 -17.170 257 HB3 CYS 43 3HB CYS 43 -14.376 -11.916 -16.347 258 H ASN 44 H ASN 44 -10.075 -10.713 -16.630 259 HA ASN 44 HA ASN 44 -11.085 -8.130 -15.697 260 HB2 ASN 44 2HB ASN 44 -9.034 -8.546 -14.668 261 HB3 ASN 44 3HB ASN 44 -8.344 -9.277 -16.114 262 HD21 ASN 44 1HD2 ASN 44 -7.912 -7.833 -17.931 263 HD22 ASN 44 2HD2 ASN 44 -7.424 -6.209 -17.601 264 H ALA 45 H ALA 45 -10.170 -6.190 -16.946 265 HA ALA 45 HA ALA 45 -11.355 -5.877 -19.352 266 HB1 ALA 45 1HB ALA 45 -10.488 -3.940 -18.400 267 HB2 ALA 45 2HB ALA 45 -8.867 -4.621 -18.252 268 HB3 ALA 45 3HB ALA 45 -9.492 -4.168 -19.838 269 H ALA 46 H ALA 46 -10.101 -5.384 -21.499 270 HA ALA 46 HA ALA 46 -9.441 -7.735 -22.731 271 HB1 ALA 46 1HB ALA 46 -8.323 -6.354 -24.468 272 HB2 ALA 46 2HB ALA 46 -9.921 -5.763 -24.011 273 HB3 ALA 46 3HB ALA 46 -8.476 -4.959 -23.399 274 H THR 47 H THR 47 -8.054 -9.057 -21.597 275 HA THR 47 HA THR 47 -5.231 -8.250 -21.656 276 HB THR 47 HB THR 47 -5.903 -7.956 -19.349 277 HG1 THR 47 HG1 THR 47 -4.503 -9.643 -18.422 278 HG21 THR 47 1HG2 THR 47 -7.097 -9.470 -18.086 279 HG22 THR 47 2HG2 THR 47 -6.598 -10.846 -19.070 280 HG23 THR 47 3HG2 THR 47 -7.817 -9.724 -19.674 281 H GLY 48 H GLY 48 -4.089 -10.522 -20.645 282 HA2 GLY 48 2HA GLY 48 -4.622 -12.406 -22.806 283 HA3 GLY 48 3HA GLY 48 -3.226 -12.413 -21.739 284 H LYS 49 H LYS 49 -6.376 -12.120 -20.349 285 HA LYS 49 HA LYS 49 -6.904 -14.892 -20.006 286 HB2 LYS 49 2HB LYS 49 -5.957 -15.392 -18.025 287 HB3 LYS 49 3HB LYS 49 -4.898 -14.029 -18.365 288 HG2 LYS 49 2HG LYS 49 -7.489 -13.644 -16.916 289 HG3 LYS 49 3HG LYS 49 -6.031 -14.165 -16.068 290 HD2 LYS 49 2HD LYS 49 -5.064 -12.079 -17.497 291 HD3 LYS 49 3HD LYS 49 -6.723 -11.544 -17.220 292 HE2 LYS 49 2HE LYS 49 -5.122 -12.637 -14.948 293 HE3 LYS 49 3HE LYS 49 -4.845 -10.983 -15.490 294 HZ1 LYS 49 1HZ LYS 49 -7.604 -11.378 -15.266 295 HZ2 LYS 49 2HZ LYS 49 -6.617 -10.356 -14.349 296 HZ3 LYS 49 3HZ LYS 49 -6.891 -11.946 -13.841 297 H CYS 50 H CYS 50 -8.998 -15.161 -19.510 298 HA CYS 50 HA CYS 50 -10.471 -13.469 -17.782 299 HB2 CYS 50 2HB CYS 50 -10.582 -11.804 -19.408 300 HB3 CYS 50 3HB CYS 50 -10.651 -12.962 -20.732 301 H GLN 51 H GLN 51 -11.645 -15.005 -16.848 302 HA GLN 51 HA GLN 51 -13.801 -16.269 -17.963 303 HB2 GLN 51 2HB GLN 51 -13.043 -18.574 -18.346 304 HB3 GLN 51 3HB GLN 51 -12.265 -17.446 -19.447 305 HG2 GLN 51 2HG GLN 51 -10.953 -18.339 -16.904 306 HG3 GLN 51 3HG GLN 51 -10.822 -19.259 -18.402 307 HE21 GLN 51 1HE2 GLN 51 -9.804 -16.486 -16.655 308 HE22 GLN 51 2HE2 GLN 51 -8.654 -15.908 -17.807 309 H ARG 52 H ARG 52 -12.982 -18.952 -16.672 310 HA ARG 52 HA ARG 52 -12.963 -18.123 -13.862 311 HB2 ARG 52 2HB ARG 52 -14.896 -19.274 -13.278 312 HB3 ARG 52 3HB ARG 52 -15.333 -18.559 -14.824 313 HG2 ARG 52 2HG ARG 52 -14.521 -21.407 -14.301 314 HG3 ARG 52 3HG ARG 52 -16.112 -20.814 -14.781 315 HD2 ARG 52 2HD ARG 52 -13.588 -20.942 -16.402 316 HD3 ARG 52 3HD ARG 52 -15.155 -21.671 -16.748 317 HE ARG 52 HE ARG 52 -15.009 -18.759 -16.675 318 HH11 ARG 52 1HH1 ARG 52 -15.183 -21.686 -18.552 319 HH12 ARG 52 2HH1 ARG 52 -15.699 -20.883 -19.997 320 HH21 ARG 52 1HH2 ARG 52 -15.688 -17.690 -18.572 321 HH22 ARG 52 2HH2 ARG 52 -15.985 -18.610 -20.008 322 H MET 53 H MET 53 -12.897 -20.229 -12.448 323 HA MET 53 HA MET 53 -10.622 -21.748 -13.422 324 HB2 MET 53 2HB MET 53 -11.793 -21.109 -10.804 325 HB3 MET 53 3HB MET 53 -11.168 -22.747 -10.932 326 HG2 MET 53 2HG MET 53 -9.606 -20.256 -11.569 327 HG3 MET 53 3HG MET 53 -9.529 -21.138 -10.046 328 HE1 MET 53 1HE MET 53 -9.514 -24.252 -10.941 329 HE2 MET 53 2HE MET 53 -7.758 -24.410 -10.903 330 HE3 MET 53 3HE MET 53 -8.580 -23.417 -9.699 Start of MODEL 8 1 H1 GLY 1 H GLY 1 4.374 -2.101 -1.917 2 HA2 GLY 1 2HA GLY 1 5.564 -0.177 -3.387 3 HA3 GLY 1 3HA GLY 1 6.282 0.073 -1.802 4 H SER 2 H SER 2 5.407 -2.893 -3.562 5 HA SER 2 HA SER 2 8.240 -3.692 -3.425 6 HB2 SER 2 2HB SER 2 5.815 -5.449 -2.979 7 HB3 SER 2 3HB SER 2 7.480 -6.025 -3.063 8 HG SER 2 HG SER 2 7.941 -4.758 -1.230 9 H LYS 3 H LYS 3 5.333 -5.165 -4.843 10 HA LYS 3 HA LYS 3 6.434 -4.744 -7.521 11 HB2 LYS 3 2HB LYS 3 5.521 -7.444 -6.514 12 HB3 LYS 3 3HB LYS 3 6.077 -7.078 -8.142 13 HG2 LYS 3 2HG LYS 3 8.066 -7.781 -7.427 14 HG3 LYS 3 3HG LYS 3 8.173 -6.221 -6.609 15 HD2 LYS 3 2HD LYS 3 7.144 -7.251 -4.605 16 HD3 LYS 3 3HD LYS 3 7.169 -8.812 -5.430 17 HE2 LYS 3 2HE LYS 3 9.072 -8.501 -3.881 18 HE3 LYS 3 3HE LYS 3 9.575 -8.762 -5.550 19 HZ1 LYS 3 1HZ LYS 3 9.231 -6.003 -4.640 20 HZ2 LYS 3 2HZ LYS 3 10.333 -6.644 -5.752 21 HZ3 LYS 3 3HZ LYS 3 10.591 -6.847 -4.093 22 H LYS 4 H LYS 4 4.913 -3.948 -8.802 23 HA LYS 4 HA LYS 4 2.170 -4.908 -8.590 24 HB2 LYS 4 2HB LYS 4 2.684 -1.942 -8.633 25 HB3 LYS 4 3HB LYS 4 1.173 -2.783 -8.312 26 HG2 LYS 4 2HG LYS 4 1.768 -2.136 -6.202 27 HG3 LYS 4 3HG LYS 4 2.490 -3.745 -6.268 28 HD2 LYS 4 2HD LYS 4 4.367 -2.707 -5.605 29 HD3 LYS 4 3HD LYS 4 4.489 -2.191 -7.288 30 HE2 LYS 4 2HE LYS 4 3.020 -0.204 -6.548 31 HE3 LYS 4 3HE LYS 4 3.486 -0.664 -4.911 32 HZ1 LYS 4 1HZ LYS 4 5.027 0.646 -6.958 33 HZ2 LYS 4 2HZ LYS 4 5.847 -0.635 -6.218 34 HZ3 LYS 4 3HZ LYS 4 5.244 0.637 -5.280 35 HA PRO 5 HA PRO 5 3.784 -4.182 -12.918 36 HB2 PRO 5 2HB PRO 5 3.279 -6.697 -13.809 37 HB3 PRO 5 3HB PRO 5 4.797 -6.241 -13.026 38 HG2 PRO 5 2HG PRO 5 2.408 -7.623 -11.866 39 HG3 PRO 5 3HG PRO 5 4.129 -7.981 -11.634 40 HD2 PRO 5 2HD PRO 5 2.667 -6.611 -9.812 41 HD3 PRO 5 3HD PRO 5 4.396 -6.305 -10.074 42 H VAL 6 H VAL 6 1.025 -6.235 -11.964 43 HA VAL 6 HA VAL 6 -0.578 -4.922 -14.057 44 HB VAL 6 HB VAL 6 -0.342 -7.394 -14.249 45 HG11 VAL 6 1HG1 VAL 6 -1.335 -8.870 -12.675 46 HG12 VAL 6 2HG1 VAL 6 -0.300 -7.770 -11.761 47 HG13 VAL 6 3HG1 VAL 6 -2.049 -7.534 -11.773 48 HG21 VAL 6 1HG2 VAL 6 -2.385 -5.977 -14.956 49 HG22 VAL 6 2HG2 VAL 6 -2.538 -7.734 -14.926 50 HG23 VAL 6 3HG2 VAL 6 -3.199 -6.769 -13.607 51 HA PRO 7 HA PRO 7 -2.747 -2.940 -10.724 52 HB2 PRO 7 2HB PRO 7 -4.667 -1.789 -12.261 53 HB3 PRO 7 3HB PRO 7 -3.014 -1.170 -12.165 54 HG2 PRO 7 2HG PRO 7 -4.271 -2.897 -14.262 55 HG3 PRO 7 3HG PRO 7 -3.188 -1.507 -14.459 56 HD2 PRO 7 2HD PRO 7 -2.322 -4.065 -14.642 57 HD3 PRO 7 3HD PRO 7 -1.301 -2.754 -14.017 58 H ILE 8 H ILE 8 -4.086 -5.222 -12.973 59 HA ILE 8 HA ILE 8 -6.477 -5.555 -11.299 60 HB ILE 8 HB ILE 8 -7.610 -6.411 -13.095 61 HG12 ILE 8 2HG1 ILE 8 -4.977 -7.552 -13.810 62 HG13 ILE 8 3HG1 ILE 8 -6.577 -8.284 -13.870 63 HG21 ILE 8 1HG2 ILE 8 -6.796 -4.095 -13.577 64 HG22 ILE 8 2HG2 ILE 8 -5.528 -4.813 -14.569 65 HG23 ILE 8 3HG2 ILE 8 -7.221 -5.038 -15.006 66 HD11 ILE 8 1HD1 ILE 8 -7.024 -6.935 -15.920 67 HD12 ILE 8 2HD1 ILE 8 -5.330 -6.442 -15.889 68 HD13 ILE 8 3HD1 ILE 8 -5.751 -8.143 -16.089 69 H ILE 9 H ILE 9 -7.014 -7.528 -10.399 70 HA ILE 9 HA ILE 9 -5.096 -9.727 -10.689 71 HB ILE 9 HB ILE 9 -4.469 -9.818 -8.535 72 HG12 ILE 9 2HG1 ILE 9 -6.692 -8.576 -7.117 73 HG13 ILE 9 3HG1 ILE 9 -7.216 -9.922 -8.124 74 HG21 ILE 9 1HG2 ILE 9 -5.601 -7.038 -8.319 75 HG22 ILE 9 2HG2 ILE 9 -4.185 -7.700 -7.503 76 HG23 ILE 9 3HG2 ILE 9 -4.151 -7.426 -9.245 77 HD11 ILE 9 1HD1 ILE 9 -4.851 -10.308 -6.372 78 HD12 ILE 9 2HD1 ILE 9 -6.456 -10.282 -5.641 79 HD13 ILE 9 3HD1 ILE 9 -6.076 -11.463 -6.894 80 H TYR 10 H TYR 10 -5.953 -11.737 -9.527 81 HA TYR 10 HA TYR 10 -8.882 -11.859 -9.576 82 HB2 TYR 10 2HB TYR 10 -8.569 -14.146 -10.748 83 HB3 TYR 10 3HB TYR 10 -8.459 -12.683 -11.721 84 HD1 TYR 10 HD1 TYR 10 -5.702 -13.512 -9.496 85 HD2 TYR 10 HD2 TYR 10 -7.228 -13.941 -13.444 86 HE1 TYR 10 HE1 TYR 10 -3.474 -14.203 -10.276 87 HE2 TYR 10 HE2 TYR 10 -5.005 -14.635 -14.235 88 HH TYR 10 HH TYR 10 -2.466 -15.446 -12.103 89 H CYS 11 H CYS 11 -8.352 -11.816 -7.229 90 HA CYS 11 HA CYS 11 -7.492 -14.449 -6.237 91 HB2 CYS 11 2HB CYS 11 -6.115 -12.713 -5.331 92 HB3 CYS 11 3HB CYS 11 -7.518 -11.731 -4.921 93 H ASN 12 H ASN 12 -9.247 -15.704 -6.041 94 HA ASN 12 HA ASN 12 -11.739 -14.568 -5.028 95 HB2 ASN 12 2HB ASN 12 -12.216 -15.926 -6.858 96 HB3 ASN 12 3HB ASN 12 -11.004 -17.123 -6.413 97 HD21 ASN 12 1HD2 ASN 12 -11.448 -18.468 -4.555 98 HD22 ASN 12 2HD2 ASN 12 -13.084 -18.864 -4.168 99 H ALA 13 H ALA 13 -12.986 -16.024 -3.472 100 HA ALA 13 HA ALA 13 -11.913 -16.054 -0.995 101 HB1 ALA 13 1HB ALA 13 -13.532 -17.890 -0.437 102 HB2 ALA 13 2HB ALA 13 -14.232 -16.500 -1.267 103 HB3 ALA 13 3HB ALA 13 -13.908 -17.987 -2.158 104 H ALA 14 H ALA 14 -11.633 -18.219 0.356 105 HA ALA 14 HA ALA 14 -9.128 -19.213 -0.076 106 HB1 ALA 14 1HB ALA 14 -11.453 -20.588 1.260 107 HB2 ALA 14 2HB ALA 14 -9.776 -21.123 1.375 108 HB3 ALA 14 3HB ALA 14 -10.246 -19.551 2.020 109 H THR 15 H THR 15 -8.657 -19.795 -2.170 110 HA THR 15 HA THR 15 -9.820 -22.345 -3.055 111 HB THR 15 HB THR 15 -10.919 -20.688 -4.416 112 HG1 THR 15 HG1 THR 15 -10.460 -22.355 -5.725 113 HG21 THR 15 1HG2 THR 15 -9.398 -19.275 -5.957 114 HG22 THR 15 2HG2 THR 15 -8.147 -19.591 -4.755 115 HG23 THR 15 3HG2 THR 15 -9.626 -18.751 -4.289 116 H GLY 16 H GLY 16 -8.387 -22.732 -5.350 117 HA2 GLY 16 2HA GLY 16 -5.728 -23.213 -4.258 118 HA3 GLY 16 3HA GLY 16 -6.390 -23.904 -5.731 119 H LYS 17 H LYS 17 -7.049 -20.660 -5.755 120 HA LYS 17 HA LYS 17 -4.482 -19.791 -6.794 121 HB2 LYS 17 2HB LYS 17 -5.069 -19.484 -8.992 122 HB3 LYS 17 3HB LYS 17 -5.999 -20.932 -8.631 123 HG2 LYS 17 2HG LYS 17 -7.118 -18.143 -8.479 124 HG3 LYS 17 3HG LYS 17 -7.237 -19.182 -9.901 125 HD2 LYS 17 2HD LYS 17 -8.202 -20.062 -7.193 126 HD3 LYS 17 3HD LYS 17 -9.228 -19.152 -8.304 127 HE2 LYS 17 2HE LYS 17 -8.497 -20.999 -10.009 128 HE3 LYS 17 3HE LYS 17 -8.142 -21.923 -8.551 129 HZ1 LYS 17 1HZ LYS 17 -10.763 -20.730 -9.277 130 HZ2 LYS 17 2HZ LYS 17 -10.437 -21.538 -7.827 131 HZ3 LYS 17 3HZ LYS 17 -10.371 -22.376 -9.296 132 H CYS 18 H CYS 18 -4.146 -17.672 -6.443 133 HA CYS 18 HA CYS 18 -6.212 -15.722 -6.381 134 HB2 CYS 18 2HB CYS 18 -6.900 -16.340 -4.272 135 HB3 CYS 18 3HB CYS 18 -5.309 -16.935 -3.810 136 H GLN 19 H GLN 19 -5.150 -14.130 -7.353 137 HA GLN 19 HA GLN 19 -3.172 -12.603 -6.223 138 HB2 GLN 19 2HB GLN 19 -1.136 -13.254 -7.439 139 HB3 GLN 19 3HB GLN 19 -1.693 -14.533 -6.368 140 HG2 GLN 19 2HG GLN 19 -2.398 -14.491 -9.280 141 HG3 GLN 19 3HG GLN 19 -0.894 -15.196 -8.690 142 HE21 GLN 19 1HE2 GLN 19 -4.295 -15.560 -8.989 143 HE22 GLN 19 2HE2 GLN 19 -4.407 -17.149 -8.323 144 H ARG 20 H ARG 20 -1.635 -12.512 -8.896 145 HA ARG 20 HA ARG 20 -3.725 -11.261 -10.538 146 HB2 ARG 20 2HB ARG 20 -2.580 -9.257 -10.787 147 HB3 ARG 20 3HB ARG 20 -2.304 -9.636 -9.092 148 HG2 ARG 20 2HG ARG 20 -0.387 -10.032 -11.376 149 HG3 ARG 20 3HG ARG 20 -0.256 -8.868 -10.056 150 HD2 ARG 20 2HD ARG 20 0.057 -11.851 -9.977 151 HD3 ARG 20 3HD ARG 20 1.195 -10.607 -9.459 152 HE ARG 20 HE ARG 20 -1.334 -10.861 -8.015 153 HH11 ARG 20 1HH1 ARG 20 2.116 -11.312 -8.119 154 HH12 ARG 20 2HH1 ARG 20 2.270 -11.533 -6.408 155 HH21 ARG 20 1HH2 ARG 20 -1.145 -11.151 -5.761 156 HH22 ARG 20 2HH2 ARG 20 0.414 -11.442 -5.067 157 H MET 21 H MET 21 -2.671 -10.593 -12.746 158 HA MET 21 HA MET 21 -1.542 -13.023 -13.835 159 HB2 MET 21 2HB MET 21 -2.932 -10.660 -14.871 160 HB3 MET 21 3HB MET 21 -1.630 -11.221 -15.912 161 HG2 MET 21 2HG MET 21 -3.896 -12.923 -14.900 162 HG3 MET 21 3HG MET 21 -3.809 -12.186 -16.498 163 HE1 MET 21 1HE MET 21 -3.269 -13.137 -18.282 164 HE2 MET 21 2HE MET 21 -1.518 -13.301 -18.415 165 HE3 MET 21 3HE MET 21 -2.551 -14.725 -18.555 166 H1 GLY 33 H GLY 33 -22.006 -18.943 -21.066 167 HA2 GLY 33 2HA GLY 33 -24.555 -18.306 -19.966 168 HA3 GLY 33 3HA GLY 33 -24.427 -17.725 -21.620 169 H SER 34 H SER 34 -22.774 -20.606 -20.551 170 HA SER 34 HA SER 34 -24.728 -22.236 -22.037 171 HB2 SER 34 2HB SER 34 -21.958 -23.235 -22.011 172 HB3 SER 34 3HB SER 34 -23.121 -23.166 -23.335 173 HG SER 34 HG SER 34 -22.590 -21.015 -23.654 174 H LYS 35 H LYS 35 -22.159 -22.276 -19.588 175 HA LYS 35 HA LYS 35 -23.714 -24.226 -18.063 176 HB2 LYS 35 2HB LYS 35 -21.587 -25.495 -17.577 177 HB3 LYS 35 3HB LYS 35 -22.214 -25.671 -19.210 178 HG2 LYS 35 2HG LYS 35 -20.412 -23.466 -19.158 179 HG3 LYS 35 3HG LYS 35 -19.638 -24.859 -18.400 180 HD2 LYS 35 2HD LYS 35 -20.564 -26.150 -20.466 181 HD3 LYS 35 3HD LYS 35 -20.666 -24.544 -21.191 182 HE2 LYS 35 2HE LYS 35 -18.326 -24.194 -20.931 183 HE3 LYS 35 3HE LYS 35 -18.161 -25.629 -19.920 184 HZ1 LYS 35 1HZ LYS 35 -18.992 -25.696 -22.768 185 HZ2 LYS 35 2HZ LYS 35 -18.615 -27.020 -21.785 186 HZ3 LYS 35 3HZ LYS 35 -17.401 -25.934 -22.242 187 H LYS 36 H LYS 36 -22.531 -24.597 -15.860 188 HA LYS 36 HA LYS 36 -21.148 -22.209 -14.924 189 HB2 LYS 36 2HB LYS 36 -23.587 -23.166 -13.440 190 HB3 LYS 36 3HB LYS 36 -22.694 -21.666 -13.220 191 HG2 LYS 36 2HG LYS 36 -24.540 -20.912 -14.335 192 HG3 LYS 36 3HG LYS 36 -23.442 -21.209 -15.685 193 HD2 LYS 36 2HD LYS 36 -25.146 -22.398 -16.536 194 HD3 LYS 36 3HD LYS 36 -24.634 -23.645 -15.396 195 HE2 LYS 36 2HE LYS 36 -26.234 -22.831 -13.758 196 HE3 LYS 36 3HE LYS 36 -26.712 -21.528 -14.845 197 HZ1 LYS 36 1HZ LYS 36 -27.843 -24.015 -14.690 198 HZ2 LYS 36 2HZ LYS 36 -26.912 -24.079 -16.100 199 HZ3 LYS 36 3HZ LYS 36 -28.088 -22.877 -15.918 200 HA PRO 37 HA PRO 37 -19.739 -26.275 -13.091 201 HB2 PRO 37 2HB PRO 37 -17.135 -25.993 -13.806 202 HB3 PRO 37 3HB PRO 37 -18.345 -26.737 -14.858 203 HG2 PRO 37 2HG PRO 37 -17.256 -23.949 -14.899 204 HG3 PRO 37 3HG PRO 37 -17.578 -25.044 -16.256 205 HD2 PRO 37 2HD PRO 37 -19.267 -23.043 -15.568 206 HD3 PRO 37 3HD PRO 37 -19.834 -24.574 -16.265 207 H VAL 38 H VAL 38 -17.947 -23.192 -13.195 208 HA VAL 38 HA VAL 38 -17.349 -23.532 -10.330 209 HB VAL 38 HB VAL 38 -15.379 -23.367 -11.855 210 HG11 VAL 38 1HG1 VAL 38 -14.841 -21.343 -12.973 211 HG12 VAL 38 2HG1 VAL 38 -16.501 -21.743 -13.420 212 HG13 VAL 38 3HG1 VAL 38 -16.187 -20.490 -12.218 213 HG21 VAL 38 1HG2 VAL 38 -15.506 -22.573 -9.406 214 HG22 VAL 38 2HG2 VAL 38 -14.126 -22.071 -10.381 215 HG23 VAL 38 3HG2 VAL 38 -15.453 -20.948 -10.088 216 HA PRO 39 HA PRO 39 -20.181 -20.175 -9.666 217 HB2 PRO 39 2HB PRO 39 -19.683 -19.881 -7.014 218 HB3 PRO 39 3HB PRO 39 -20.669 -21.195 -7.666 219 HG2 PRO 39 2HG PRO 39 -17.796 -21.220 -6.828 220 HG3 PRO 39 3HG PRO 39 -19.060 -22.425 -6.523 221 HD2 PRO 39 2HD PRO 39 -17.203 -22.724 -8.470 222 HD3 PRO 39 3HD PRO 39 -18.855 -23.356 -8.622 223 H ILE 40 H ILE 40 -16.768 -20.130 -9.009 224 HA ILE 40 HA ILE 40 -16.805 -17.208 -8.717 225 HB ILE 40 HB ILE 40 -14.803 -17.301 -7.601 226 HG12 ILE 40 2HG1 ILE 40 -14.256 -19.571 -9.418 227 HG13 ILE 40 3HG1 ILE 40 -13.203 -18.255 -8.909 228 HG21 ILE 40 1HG2 ILE 40 -14.912 -19.019 -5.950 229 HG22 ILE 40 2HG2 ILE 40 -16.565 -18.615 -6.410 230 HG23 ILE 40 3HG2 ILE 40 -15.811 -20.081 -7.034 231 HD11 ILE 40 1HD1 ILE 40 -12.295 -20.281 -8.076 232 HD12 ILE 40 2HD1 ILE 40 -12.979 -19.408 -6.705 233 HD13 ILE 40 3HD1 ILE 40 -13.849 -20.773 -7.403 234 H ILE 41 H ILE 41 -15.700 -15.872 -10.103 235 HA ILE 41 HA ILE 41 -14.299 -17.096 -12.370 236 HB ILE 41 HB ILE 41 -15.638 -16.275 -13.974 237 HG12 ILE 41 2HG1 ILE 41 -16.853 -13.934 -12.742 238 HG13 ILE 41 3HG1 ILE 41 -15.095 -13.875 -12.673 239 HG21 ILE 41 1HG2 ILE 41 -17.940 -16.307 -13.444 240 HG22 ILE 41 2HG2 ILE 41 -17.160 -17.394 -12.296 241 HG23 ILE 41 3HG2 ILE 41 -17.642 -15.776 -11.789 242 HD11 ILE 41 1HD1 ILE 41 -16.382 -14.586 -15.251 243 HD12 ILE 41 2HD1 ILE 41 -16.420 -12.906 -14.717 244 HD13 ILE 41 3HD1 ILE 41 -14.875 -13.727 -14.935 245 H TYR 42 H TYR 42 -13.199 -15.335 -13.719 246 HA TYR 42 HA TYR 42 -12.351 -13.062 -12.074 247 HB2 TYR 42 2HB TYR 42 -9.965 -13.569 -12.941 248 HB3 TYR 42 3HB TYR 42 -10.583 -14.512 -11.590 249 HD1 TYR 42 HD1 TYR 42 -8.889 -16.242 -12.083 250 HD2 TYR 42 HD2 TYR 42 -11.894 -15.199 -14.908 251 HE1 TYR 42 HE1 TYR 42 -8.435 -18.317 -13.323 252 HE2 TYR 42 HE2 TYR 42 -11.449 -17.272 -16.155 253 HH TYR 42 HH TYR 42 -8.849 -18.982 -16.010 254 H CYS 43 H CYS 43 -13.850 -12.083 -13.678 255 HA CYS 43 HA CYS 43 -12.572 -11.676 -16.296 256 HB2 CYS 43 2HB CYS 43 -14.797 -12.519 -16.557 257 HB3 CYS 43 3HB CYS 43 -15.438 -11.357 -15.400 258 H ASN 44 H ASN 44 -11.249 -9.964 -16.146 259 HA ASN 44 HA ASN 44 -12.091 -7.614 -14.627 260 HB2 ASN 44 2HB ASN 44 -9.878 -8.111 -14.091 261 HB3 ASN 44 3HB ASN 44 -9.474 -8.563 -15.745 262 HD21 ASN 44 1HD2 ASN 44 -9.401 -6.823 -17.334 263 HD22 ASN 44 2HD2 ASN 44 -8.873 -5.257 -16.829 264 H ALA 45 H ALA 45 -11.462 -5.454 -15.666 265 HA ALA 45 HA ALA 45 -13.086 -4.791 -17.718 266 HB1 ALA 45 1HB ALA 45 -11.747 -3.210 -16.334 267 HB2 ALA 45 2HB ALA 45 -10.358 -3.562 -17.363 268 HB3 ALA 45 3HB ALA 45 -11.795 -2.804 -18.050 269 H ALA 46 H ALA 46 -12.276 -3.888 -19.941 270 HA ALA 46 HA ALA 46 -11.826 -5.966 -21.663 271 HB1 ALA 46 1HB ALA 46 -11.096 -4.262 -23.314 272 HB2 ALA 46 2HB ALA 46 -12.581 -3.832 -22.465 273 HB3 ALA 46 3HB ALA 46 -11.054 -3.073 -22.012 274 H THR 47 H THR 47 -10.223 -7.388 -21.068 275 HA THR 47 HA THR 47 -7.480 -6.441 -21.515 276 HB THR 47 HB THR 47 -7.694 -6.559 -19.106 277 HG1 THR 47 HG1 THR 47 -5.770 -7.420 -19.121 278 HG21 THR 47 1HG2 THR 47 -8.321 -9.487 -19.261 279 HG22 THR 47 2HG2 THR 47 -9.616 -8.290 -19.293 280 HG23 THR 47 3HG2 THR 47 -8.526 -8.374 -17.910 281 H GLY 48 H GLY 48 -6.119 -8.782 -21.144 282 HA2 GLY 48 2HA GLY 48 -7.038 -10.318 -23.447 283 HA3 GLY 48 3HA GLY 48 -5.456 -10.422 -22.690 284 H LYS 49 H LYS 49 -8.288 -10.531 -20.704 285 HA LYS 49 HA LYS 49 -8.671 -13.344 -20.729 286 HB2 LYS 49 2HB LYS 49 -7.421 -14.101 -18.990 287 HB3 LYS 49 3HB LYS 49 -6.385 -12.756 -19.451 288 HG2 LYS 49 2HG LYS 49 -8.530 -12.533 -17.358 289 HG3 LYS 49 3HG LYS 49 -6.862 -12.981 -16.996 290 HD2 LYS 49 2HD LYS 49 -6.795 -10.670 -18.636 291 HD3 LYS 49 3HD LYS 49 -7.976 -10.383 -17.355 292 HE2 LYS 49 2HE LYS 49 -6.340 -10.046 -15.892 293 HE3 LYS 49 3HE LYS 49 -5.683 -11.648 -16.227 294 HZ1 LYS 49 1HZ LYS 49 -5.086 -9.202 -17.802 295 HZ2 LYS 49 2HZ LYS 49 -4.411 -10.734 -18.042 296 HZ3 LYS 49 3HZ LYS 49 -4.069 -9.872 -16.627 297 H CYS 50 H CYS 50 -10.629 -13.785 -19.917 298 HA CYS 50 HA CYS 50 -11.761 -12.498 -17.664 299 HB2 CYS 50 2HB CYS 50 -12.258 -10.580 -18.851 300 HB3 CYS 50 3HB CYS 50 -12.452 -11.444 -20.373 301 H GLN 51 H GLN 51 -12.742 -14.209 -16.818 302 HA GLN 51 HA GLN 51 -15.042 -15.366 -17.760 303 HB2 GLN 51 2HB GLN 51 -14.318 -17.548 -18.626 304 HB3 GLN 51 3HB GLN 51 -13.754 -16.228 -19.641 305 HG2 GLN 51 2HG GLN 51 -12.018 -17.436 -17.518 306 HG3 GLN 51 3HG GLN 51 -12.130 -18.124 -19.138 307 HE21 GLN 51 1HE2 GLN 51 -10.894 -15.574 -17.195 308 HE22 GLN 51 2HE2 GLN 51 -9.957 -14.797 -18.421 309 H ARG 52 H ARG 52 -14.010 -18.180 -17.065 310 HA ARG 52 HA ARG 52 -13.585 -17.786 -14.187 311 HB2 ARG 52 2HB ARG 52 -15.333 -19.175 -13.551 312 HB3 ARG 52 3HB ARG 52 -16.033 -18.288 -14.899 313 HG2 ARG 52 2HG ARG 52 -14.947 -21.094 -14.938 314 HG3 ARG 52 3HG ARG 52 -16.631 -20.593 -15.100 315 HD2 ARG 52 2HD ARG 52 -14.373 -20.270 -17.048 316 HD3 ARG 52 3HD ARG 52 -15.940 -21.043 -17.290 317 HE ARG 52 HE ARG 52 -15.884 -18.166 -16.785 318 HH11 ARG 52 1HH1 ARG 52 -16.322 -20.808 -19.010 319 HH12 ARG 52 2HH1 ARG 52 -17.110 -19.838 -20.210 320 HH21 ARG 52 1HH2 ARG 52 -16.920 -16.878 -18.357 321 HH22 ARG 52 2HH2 ARG 52 -17.449 -17.603 -19.838 322 H MET 53 H MET 53 -13.187 -20.080 -13.160 323 HA MET 53 HA MET 53 -10.951 -21.200 -14.627 324 HB2 MET 53 2HB MET 53 -11.990 -21.510 -11.823 325 HB3 MET 53 3HB MET 53 -10.763 -22.598 -12.459 326 HG2 MET 53 2HG MET 53 -10.381 -19.639 -12.603 327 HG3 MET 53 3HG MET 53 -10.048 -20.517 -11.112 328 HE1 MET 53 1HE MET 53 -8.946 -22.730 -11.189 329 HE2 MET 53 2HE MET 53 -8.370 -23.436 -12.699 330 HE3 MET 53 3HE MET 53 -7.230 -22.666 -11.595 Start of MODEL 9 1 H1 GLY 1 H GLY 1 6.382 2.578 -1.821 2 HA2 GLY 1 2HA GLY 1 4.012 0.910 -2.038 3 HA3 GLY 1 3HA GLY 1 4.721 1.413 -3.565 4 H SER 2 H SER 2 4.446 -1.275 -2.507 5 HA SER 2 HA SER 2 7.244 -2.019 -2.016 6 HB2 SER 2 2HB SER 2 5.898 -4.346 -1.709 7 HB3 SER 2 3HB SER 2 6.152 -3.192 -0.399 8 HG SER 2 HG SER 2 4.006 -3.527 -0.385 9 H LYS 3 H LYS 3 4.559 -3.699 -3.635 10 HA LYS 3 HA LYS 3 6.144 -3.861 -6.087 11 HB2 LYS 3 2HB LYS 3 5.698 -6.294 -6.269 12 HB3 LYS 3 3HB LYS 3 6.741 -5.887 -4.912 13 HG2 LYS 3 2HG LYS 3 4.177 -5.832 -3.852 14 HG3 LYS 3 3HG LYS 3 4.181 -7.222 -4.940 15 HD2 LYS 3 2HD LYS 3 6.548 -7.590 -3.723 16 HD3 LYS 3 3HD LYS 3 5.675 -6.763 -2.430 17 HE2 LYS 3 2HE LYS 3 3.863 -8.417 -2.627 18 HE3 LYS 3 3HE LYS 3 4.780 -9.254 -3.879 19 HZ1 LYS 3 1HZ LYS 3 5.384 -9.022 -1.000 20 HZ2 LYS 3 2HZ LYS 3 6.602 -9.391 -2.114 21 HZ3 LYS 3 3HZ LYS 3 5.268 -10.418 -1.949 22 H LYS 4 H LYS 4 4.911 -3.337 -7.759 23 HA LYS 4 HA LYS 4 2.135 -4.215 -7.864 24 HB2 LYS 4 2HB LYS 4 2.773 -1.326 -8.414 25 HB3 LYS 4 3HB LYS 4 1.196 -2.075 -8.200 26 HG2 LYS 4 2HG LYS 4 1.446 -1.005 -6.196 27 HG3 LYS 4 3HG LYS 4 2.102 -2.595 -5.802 28 HD2 LYS 4 2HD LYS 4 3.873 -1.444 -5.040 29 HD3 LYS 4 3HD LYS 4 4.311 -1.305 -6.745 30 HE2 LYS 4 2HE LYS 4 2.700 0.696 -5.163 31 HE3 LYS 4 3HE LYS 4 4.397 0.862 -5.609 32 HZ1 LYS 4 1HZ LYS 4 2.992 2.095 -7.119 33 HZ2 LYS 4 2HZ LYS 4 2.108 0.703 -7.495 34 HZ3 LYS 4 3HZ LYS 4 3.735 0.818 -7.944 35 HA PRO 5 HA PRO 5 4.525 -4.405 -11.879 36 HB2 PRO 5 2HB PRO 5 4.079 -7.046 -12.322 37 HB3 PRO 5 3HB PRO 5 5.451 -6.448 -11.382 38 HG2 PRO 5 2HG PRO 5 2.836 -7.548 -10.427 39 HG3 PRO 5 3HG PRO 5 4.471 -7.860 -9.816 40 HD2 PRO 5 2HD PRO 5 2.769 -6.137 -8.606 41 HD3 PRO 5 3HD PRO 5 4.528 -5.901 -8.603 42 H VAL 6 H VAL 6 1.563 -6.224 -11.066 43 HA VAL 6 HA VAL 6 0.374 -5.229 -13.575 44 HB VAL 6 HB VAL 6 0.741 -7.723 -13.433 45 HG11 VAL 6 1HG1 VAL 6 0.163 -7.911 -11.025 46 HG12 VAL 6 2HG1 VAL 6 -1.523 -7.602 -11.445 47 HG13 VAL 6 3HG1 VAL 6 -0.713 -9.047 -12.051 48 HG21 VAL 6 1HG2 VAL 6 -1.228 -8.208 -14.593 49 HG22 VAL 6 2HG2 VAL 6 -2.180 -7.068 -13.642 50 HG23 VAL 6 3HG2 VAL 6 -1.017 -6.473 -14.826 51 HA PRO 7 HA PRO 7 -2.458 -3.101 -10.903 52 HB2 PRO 7 2HB PRO 7 -4.145 -2.247 -12.852 53 HB3 PRO 7 3HB PRO 7 -2.566 -1.508 -12.556 54 HG2 PRO 7 2HG PRO 7 -3.357 -3.522 -14.625 55 HG3 PRO 7 3HG PRO 7 -2.330 -2.087 -14.796 56 HD2 PRO 7 2HD PRO 7 -1.314 -4.584 -14.548 57 HD3 PRO 7 3HD PRO 7 -0.483 -3.149 -13.914 58 H ILE 8 H ILE 8 -3.310 -5.650 -13.120 59 HA ILE 8 HA ILE 8 -5.877 -6.029 -11.734 60 HB ILE 8 HB ILE 8 -6.758 -7.030 -13.607 61 HG12 ILE 8 2HG1 ILE 8 -3.974 -7.933 -14.052 62 HG13 ILE 8 3HG1 ILE 8 -5.488 -8.812 -14.237 63 HG21 ILE 8 1HG2 ILE 8 -6.264 -5.655 -15.511 64 HG22 ILE 8 2HG2 ILE 8 -6.143 -4.666 -14.057 65 HG23 ILE 8 3HG2 ILE 8 -4.680 -5.241 -14.856 66 HD11 ILE 8 1HD1 ILE 8 -5.869 -7.517 -16.343 67 HD12 ILE 8 2HD1 ILE 8 -4.225 -6.900 -16.177 68 HD13 ILE 8 3HD1 ILE 8 -4.502 -8.630 -16.379 69 H ILE 9 H ILE 9 -6.365 -7.938 -10.734 70 HA ILE 9 HA ILE 9 -4.358 -10.079 -10.797 71 HB ILE 9 HB ILE 9 -3.964 -10.119 -8.572 72 HG12 ILE 9 2HG1 ILE 9 -6.292 -8.700 -7.499 73 HG13 ILE 9 3HG1 ILE 9 -6.715 -10.154 -8.395 74 HG21 ILE 9 1HG2 ILE 9 -4.994 -7.292 -8.658 75 HG22 ILE 9 2HG2 ILE 9 -3.698 -7.941 -7.655 76 HG23 ILE 9 3HG2 ILE 9 -3.476 -7.799 -9.398 77 HD11 ILE 9 1HD1 ILE 9 -6.196 -10.206 -5.815 78 HD12 ILE 9 2HD1 ILE 9 -5.738 -11.535 -6.879 79 HD13 ILE 9 3HD1 ILE 9 -4.536 -10.339 -6.394 80 H TYR 10 H TYR 10 -5.259 -12.043 -9.507 81 HA TYR 10 HA TYR 10 -8.154 -12.303 -9.904 82 HB2 TYR 10 2HB TYR 10 -7.624 -14.670 -10.790 83 HB3 TYR 10 3HB TYR 10 -7.411 -13.308 -11.884 84 HD1 TYR 10 HD1 TYR 10 -4.977 -13.825 -9.227 85 HD2 TYR 10 HD2 TYR 10 -5.922 -14.674 -13.287 86 HE1 TYR 10 HE1 TYR 10 -2.647 -14.509 -9.620 87 HE2 TYR 10 HE2 TYR 10 -3.595 -15.362 -13.691 88 HH TYR 10 HH TYR 10 -1.667 -16.167 -12.423 89 H CYS 11 H CYS 11 -7.977 -12.017 -7.534 90 HA CYS 11 HA CYS 11 -7.267 -14.547 -6.199 91 HB2 CYS 11 2HB CYS 11 -5.831 -12.795 -5.393 92 HB3 CYS 11 3HB CYS 11 -7.200 -11.717 -5.145 93 H ASN 12 H ASN 12 -9.127 -15.649 -6.024 94 HA ASN 12 HA ASN 12 -11.573 -14.235 -5.268 95 HB2 ASN 12 2HB ASN 12 -12.051 -15.657 -7.054 96 HB3 ASN 12 3HB ASN 12 -10.996 -16.931 -6.450 97 HD21 ASN 12 1HD2 ASN 12 -11.695 -18.091 -4.541 98 HD22 ASN 12 2HD2 ASN 12 -13.386 -18.306 -4.257 99 H ALA 13 H ALA 13 -13.039 -15.525 -3.733 100 HA ALA 13 HA ALA 13 -12.142 -15.478 -1.189 101 HB1 ALA 13 1HB ALA 13 -14.409 -15.800 -1.322 102 HB2 ALA 13 2HB ALA 13 -14.267 -17.103 -2.503 103 HB3 ALA 13 3HB ALA 13 -13.882 -17.403 -0.808 104 H ALA 14 H ALA 14 -12.052 -17.530 0.313 105 HA ALA 14 HA ALA 14 -9.608 -18.725 0.068 106 HB1 ALA 14 1HB ALA 14 -10.805 -18.808 2.139 107 HB2 ALA 14 2HB ALA 14 -12.074 -19.802 1.423 108 HB3 ALA 14 3HB ALA 14 -10.453 -20.462 1.639 109 H THR 15 H THR 15 -9.120 -19.506 -1.961 110 HA THR 15 HA THR 15 -10.406 -22.052 -2.660 111 HB THR 15 HB THR 15 -11.399 -20.434 -4.162 112 HG1 THR 15 HG1 THR 15 -10.879 -21.487 -6.048 113 HG21 THR 15 1HG2 THR 15 -8.717 -19.752 -5.303 114 HG22 THR 15 2HG2 THR 15 -9.338 -18.863 -3.912 115 HG23 THR 15 3HG2 THR 15 -10.240 -18.873 -5.427 116 H GLY 16 H GLY 16 -8.970 -22.710 -4.882 117 HA2 GLY 16 2HA GLY 16 -6.336 -23.187 -3.718 118 HA3 GLY 16 3HA GLY 16 -7.024 -24.011 -5.109 119 H LYS 17 H LYS 17 -7.124 -20.548 -4.920 120 HA LYS 17 HA LYS 17 -4.671 -20.041 -6.265 121 HB2 LYS 17 2HB LYS 17 -5.242 -19.975 -8.450 122 HB3 LYS 17 3HB LYS 17 -6.516 -21.083 -7.958 123 HG2 LYS 17 2HG LYS 17 -6.911 -18.109 -7.982 124 HG3 LYS 17 3HG LYS 17 -7.186 -19.112 -9.408 125 HD2 LYS 17 2HD LYS 17 -8.507 -20.399 -7.296 126 HD3 LYS 17 3HD LYS 17 -8.880 -18.683 -7.123 127 HE2 LYS 17 2HE LYS 17 -9.039 -19.818 -9.851 128 HE3 LYS 17 3HE LYS 17 -10.273 -20.337 -8.704 129 HZ1 LYS 17 1HZ LYS 17 -10.930 -18.365 -9.979 130 HZ2 LYS 17 2HZ LYS 17 -9.626 -17.507 -9.328 131 HZ3 LYS 17 3HZ LYS 17 -10.867 -18.052 -8.317 132 H CYS 18 H CYS 18 -4.128 -17.959 -5.995 133 HA CYS 18 HA CYS 18 -5.983 -15.809 -6.025 134 HB2 CYS 18 2HB CYS 18 -6.699 -16.448 -3.875 135 HB3 CYS 18 3HB CYS 18 -5.068 -16.863 -3.359 136 H GLN 19 H GLN 19 -4.827 -14.239 -6.907 137 HA GLN 19 HA GLN 19 -2.637 -12.987 -5.845 138 HB2 GLN 19 2HB GLN 19 -0.899 -13.906 -7.603 139 HB3 GLN 19 3HB GLN 19 -1.117 -14.696 -6.047 140 HG2 GLN 19 2HG GLN 19 -1.972 -16.557 -6.960 141 HG3 GLN 19 3HG GLN 19 -2.867 -15.669 -8.192 142 HE21 GLN 19 1HE2 GLN 19 -0.835 -14.282 -9.414 143 HE22 GLN 19 2HE2 GLN 19 0.225 -15.393 -10.206 144 H ARG 20 H ARG 20 -1.125 -12.632 -8.338 145 HA ARG 20 HA ARG 20 -3.169 -11.278 -9.971 146 HB2 ARG 20 2HB ARG 20 -1.921 -9.325 -10.107 147 HB3 ARG 20 3HB ARG 20 -1.660 -9.816 -8.439 148 HG2 ARG 20 2HG ARG 20 0.226 -10.189 -10.754 149 HG3 ARG 20 3HG ARG 20 0.421 -9.099 -9.380 150 HD2 ARG 20 2HD ARG 20 0.574 -12.095 -9.441 151 HD3 ARG 20 3HD ARG 20 1.784 -10.940 -8.883 152 HE ARG 20 HE ARG 20 -0.728 -11.058 -7.411 153 HH11 ARG 20 1HH1 ARG 20 2.640 -11.917 -7.615 154 HH12 ARG 20 2HH1 ARG 20 2.785 -12.275 -5.926 155 HH21 ARG 20 1HH2 ARG 20 -0.549 -11.527 -5.186 156 HH22 ARG 20 2HH2 ARG 20 0.970 -12.054 -4.546 157 H MET 21 H MET 21 -2.109 -10.559 -12.147 158 HA MET 21 HA MET 21 -1.163 -12.968 -13.404 159 HB2 MET 21 2HB MET 21 -1.436 -10.245 -14.675 160 HB3 MET 21 3HB MET 21 -1.448 -11.811 -15.475 161 HG2 MET 21 2HG MET 21 -3.534 -11.260 -13.437 162 HG3 MET 21 3HG MET 21 -3.663 -10.470 -15.007 163 HE1 MET 21 1HE MET 21 -5.994 -11.601 -15.314 164 HE2 MET 21 2HE MET 21 -6.275 -13.342 -15.354 165 HE3 MET 21 3HE MET 21 -5.897 -12.544 -13.826 166 H1 GLY 33 H GLY 33 -25.938 -18.869 -17.672 167 HA2 GLY 33 2HA GLY 33 -27.732 -20.237 -17.214 168 HA3 GLY 33 3HA GLY 33 -28.574 -19.481 -18.558 169 H SER 34 H SER 34 -25.478 -21.006 -19.008 170 HA SER 34 HA SER 34 -26.798 -23.328 -20.241 171 HB2 SER 34 2HB SER 34 -26.075 -21.600 -21.945 172 HB3 SER 34 3HB SER 34 -24.412 -21.922 -21.455 173 HG SER 34 HG SER 34 -25.111 -24.239 -21.911 174 H LYS 35 H LYS 35 -23.741 -21.970 -19.060 175 HA LYS 35 HA LYS 35 -23.094 -24.574 -17.898 176 HB2 LYS 35 2HB LYS 35 -21.060 -22.995 -19.475 177 HB3 LYS 35 3HB LYS 35 -20.853 -24.588 -18.759 178 HG2 LYS 35 2HG LYS 35 -21.239 -25.249 -20.879 179 HG3 LYS 35 3HG LYS 35 -22.922 -25.115 -20.363 180 HD2 LYS 35 2HD LYS 35 -23.097 -23.838 -22.220 181 HD3 LYS 35 3HD LYS 35 -22.471 -22.580 -21.152 182 HE2 LYS 35 2HE LYS 35 -20.228 -23.951 -22.123 183 HE3 LYS 35 3HE LYS 35 -21.293 -23.731 -23.511 184 HZ1 LYS 35 1HZ LYS 35 -21.446 -21.324 -22.683 185 HZ2 LYS 35 2HZ LYS 35 -20.036 -21.807 -23.483 186 HZ3 LYS 35 3HZ LYS 35 -20.050 -21.679 -21.796 187 H LYS 36 H LYS 36 -22.592 -24.318 -15.832 188 HA LYS 36 HA LYS 36 -21.023 -22.016 -14.980 189 HB2 LYS 36 2HB LYS 36 -23.546 -22.699 -13.487 190 HB3 LYS 36 3HB LYS 36 -22.536 -21.268 -13.326 191 HG2 LYS 36 2HG LYS 36 -24.306 -20.420 -14.497 192 HG3 LYS 36 3HG LYS 36 -23.224 -20.869 -15.818 193 HD2 LYS 36 2HD LYS 36 -25.012 -21.955 -16.634 194 HD3 LYS 36 3HD LYS 36 -24.613 -23.183 -15.431 195 HE2 LYS 36 2HE LYS 36 -26.078 -21.459 -13.940 196 HE3 LYS 36 3HE LYS 36 -26.841 -21.263 -15.517 197 HZ1 LYS 36 1HZ LYS 36 -27.973 -23.094 -15.036 198 HZ2 LYS 36 2HZ LYS 36 -27.015 -23.441 -13.687 199 HZ3 LYS 36 3HZ LYS 36 -26.536 -23.967 -15.222 200 HA PRO 37 HA PRO 37 -19.978 -26.100 -12.957 201 HB2 PRO 37 2HB PRO 37 -17.352 -26.065 -13.644 202 HB3 PRO 37 3HB PRO 37 -18.607 -26.751 -14.682 203 HG2 PRO 37 2HG PRO 37 -17.291 -24.066 -14.824 204 HG3 PRO 37 3HG PRO 37 -17.687 -25.189 -16.138 205 HD2 PRO 37 2HD PRO 37 -19.212 -23.028 -15.560 206 HD3 PRO 37 3HD PRO 37 -19.896 -24.536 -16.200 207 H VAL 38 H VAL 38 -17.976 -23.156 -13.156 208 HA VAL 38 HA VAL 38 -17.468 -23.408 -10.262 209 HB VAL 38 HB VAL 38 -15.458 -23.553 -11.787 210 HG11 VAL 38 1HG1 VAL 38 -16.258 -21.835 -13.393 211 HG12 VAL 38 2HG1 VAL 38 -15.958 -20.603 -12.165 212 HG13 VAL 38 3HG1 VAL 38 -14.618 -21.549 -12.813 213 HG21 VAL 38 1HG2 VAL 38 -14.079 -22.420 -10.282 214 HG22 VAL 38 2HG2 VAL 38 -15.277 -21.160 -9.985 215 HG23 VAL 38 3HG2 VAL 38 -15.523 -22.781 -9.335 216 HA PRO 39 HA PRO 39 -19.889 -19.708 -9.890 217 HB2 PRO 39 2HB PRO 39 -19.376 -19.263 -7.262 218 HB3 PRO 39 3HB PRO 39 -20.497 -20.508 -7.824 219 HG2 PRO 39 2HG PRO 39 -17.648 -20.782 -6.946 220 HG3 PRO 39 3HG PRO 39 -19.040 -21.813 -6.567 221 HD2 PRO 39 2HD PRO 39 -17.216 -22.465 -8.459 222 HD3 PRO 39 3HD PRO 39 -18.926 -22.923 -8.584 223 H ILE 40 H ILE 40 -16.496 -19.981 -9.149 224 HA ILE 40 HA ILE 40 -16.226 -17.052 -9.196 225 HB ILE 40 HB ILE 40 -14.327 -17.189 -7.911 226 HG12 ILE 40 2HG1 ILE 40 -13.939 -19.761 -9.321 227 HG13 ILE 40 3HG1 ILE 40 -12.769 -18.510 -8.916 228 HG21 ILE 40 1HG2 ILE 40 -15.701 -19.720 -7.034 229 HG22 ILE 40 2HG2 ILE 40 -14.774 -18.595 -6.042 230 HG23 ILE 40 3HG2 ILE 40 -16.329 -18.104 -6.713 231 HD11 ILE 40 1HD1 ILE 40 -12.859 -19.323 -6.553 232 HD12 ILE 40 2HD1 ILE 40 -13.826 -20.681 -7.131 233 HD13 ILE 40 3HD1 ILE 40 -12.177 -20.461 -7.715 234 H ILE 41 H ILE 41 -14.892 -16.050 -10.655 235 HA ILE 41 HA ILE 41 -13.455 -17.722 -12.588 236 HB ILE 41 HB ILE 41 -14.506 -16.951 -14.439 237 HG12 ILE 41 2HG1 ILE 41 -15.768 -14.496 -13.444 238 HG13 ILE 41 3HG1 ILE 41 -14.011 -14.480 -13.337 239 HG21 ILE 41 1HG2 ILE 41 -16.741 -16.251 -12.556 240 HG22 ILE 41 2HG2 ILE 41 -16.846 -16.943 -14.174 241 HG23 ILE 41 3HG2 ILE 41 -16.226 -17.914 -12.840 242 HD11 ILE 41 1HD1 ILE 41 -13.739 -14.535 -15.605 243 HD12 ILE 41 2HD1 ILE 41 -15.287 -15.333 -15.883 244 HD13 ILE 41 3HD1 ILE 41 -15.240 -13.619 -15.474 245 H TYR 42 H TYR 42 -12.165 -16.199 -14.129 246 HA TYR 42 HA TYR 42 -11.134 -13.883 -12.650 247 HB2 TYR 42 2HB TYR 42 -8.808 -14.660 -13.481 248 HB3 TYR 42 3HB TYR 42 -9.503 -15.451 -12.070 249 HD1 TYR 42 HD1 TYR 42 -8.065 -17.403 -12.379 250 HD2 TYR 42 HD2 TYR 42 -10.800 -16.188 -15.404 251 HE1 TYR 42 HE1 TYR 42 -7.809 -19.588 -13.479 252 HE2 TYR 42 HE2 TYR 42 -10.552 -18.370 -16.512 253 HH TYR 42 HH TYR 42 -8.154 -20.389 -16.080 254 H CYS 43 H CYS 43 -12.540 -12.869 -14.311 255 HA CYS 43 HA CYS 43 -11.134 -12.640 -16.892 256 HB2 CYS 43 2HB CYS 43 -13.311 -13.616 -17.245 257 HB3 CYS 43 3HB CYS 43 -14.080 -12.366 -16.272 258 H ASN 44 H ASN 44 -9.912 -10.858 -16.738 259 HA ASN 44 HA ASN 44 -10.966 -8.486 -15.402 260 HB2 ASN 44 2HB ASN 44 -8.771 -8.830 -14.707 261 HB3 ASN 44 3HB ASN 44 -8.241 -9.356 -16.302 262 HD21 ASN 44 1HD2 ASN 44 -8.029 -7.746 -17.961 263 HD22 ASN 44 2HD2 ASN 44 -7.651 -6.116 -17.531 264 H ALA 45 H ALA 45 -10.397 -6.345 -16.500 265 HA ALA 45 HA ALA 45 -11.913 -5.865 -18.679 266 HB1 ALA 45 1HB ALA 45 -11.173 -3.790 -18.400 267 HB2 ALA 45 2HB ALA 45 -10.018 -4.415 -17.222 268 HB3 ALA 45 3HB ALA 45 -9.548 -4.246 -18.913 269 H ALA 46 H ALA 46 -10.906 -4.946 -20.865 270 HA ALA 46 HA ALA 46 -10.332 -7.041 -22.514 271 HB1 ALA 46 1HB ALA 46 -10.951 -4.900 -23.404 272 HB2 ALA 46 2HB ALA 46 -9.457 -4.172 -22.813 273 HB3 ALA 46 3HB ALA 46 -9.402 -5.373 -24.103 274 H THR 47 H THR 47 -8.832 -8.496 -21.746 275 HA THR 47 HA THR 47 -6.034 -7.612 -21.910 276 HB THR 47 HB THR 47 -6.450 -7.772 -19.551 277 HG1 THR 47 HG1 THR 47 -4.686 -8.917 -19.238 278 HG21 THR 47 1HG2 THR 47 -7.751 -10.381 -20.267 279 HG22 THR 47 2HG2 THR 47 -8.396 -9.045 -19.313 280 HG23 THR 47 3HG2 THR 47 -7.140 -10.084 -18.640 281 H GLY 48 H GLY 48 -4.761 -9.980 -21.474 282 HA2 GLY 48 2HA GLY 48 -5.490 -11.456 -23.884 283 HA3 GLY 48 3HA GLY 48 -3.977 -11.591 -22.999 284 H LYS 49 H LYS 49 -6.561 -11.663 -20.876 285 HA LYS 49 HA LYS 49 -7.097 -14.502 -21.103 286 HB2 LYS 49 2HB LYS 49 -6.082 -15.229 -19.161 287 HB3 LYS 49 3HB LYS 49 -4.907 -14.054 -19.737 288 HG2 LYS 49 2HG LYS 49 -7.037 -13.437 -17.704 289 HG3 LYS 49 3HG LYS 49 -5.391 -13.930 -17.300 290 HD2 LYS 49 2HD LYS 49 -6.019 -11.552 -19.038 291 HD3 LYS 49 3HD LYS 49 -5.830 -11.443 -17.287 292 HE2 LYS 49 2HE LYS 49 -3.666 -11.083 -17.752 293 HE3 LYS 49 3HE LYS 49 -3.595 -12.827 -17.994 294 HZ1 LYS 49 1HZ LYS 49 -4.493 -11.481 -20.337 295 HZ2 LYS 49 2HZ LYS 49 -3.194 -12.546 -20.145 296 HZ3 LYS 49 3HZ LYS 49 -2.985 -10.895 -19.840 297 H CYS 50 H CYS 50 -9.074 -15.010 -20.346 298 HA CYS 50 HA CYS 50 -10.372 -13.643 -18.224 299 HB2 CYS 50 2HB CYS 50 -10.906 -11.833 -19.546 300 HB3 CYS 50 3HB CYS 50 -10.943 -12.789 -21.025 301 H GLN 51 H GLN 51 -11.569 -15.165 -17.312 302 HA GLN 51 HA GLN 51 -13.638 -16.571 -18.440 303 HB2 GLN 51 2HB GLN 51 -12.405 -18.901 -18.464 304 HB3 GLN 51 3HB GLN 51 -12.420 -17.871 -19.889 305 HG2 GLN 51 2HG GLN 51 -10.212 -17.497 -19.807 306 HG3 GLN 51 3HG GLN 51 -10.188 -17.398 -18.047 307 HE21 GLN 51 1HE2 GLN 51 -11.231 -19.841 -17.365 308 HE22 GLN 51 2HE2 GLN 51 -10.146 -21.091 -17.859 309 H ARG 52 H ARG 52 -13.083 -19.162 -17.168 310 HA ARG 52 HA ARG 52 -12.947 -18.345 -14.344 311 HB2 ARG 52 2HB ARG 52 -14.880 -19.494 -13.772 312 HB3 ARG 52 3HB ARG 52 -15.310 -18.802 -15.331 313 HG2 ARG 52 2HG ARG 52 -14.472 -21.637 -14.769 314 HG3 ARG 52 3HG ARG 52 -16.070 -21.067 -15.256 315 HD2 ARG 52 2HD ARG 52 -13.545 -21.194 -16.874 316 HD3 ARG 52 3HD ARG 52 -15.110 -21.930 -17.216 317 HE ARG 52 HE ARG 52 -14.991 -19.020 -17.162 318 HH11 ARG 52 1HH1 ARG 52 -15.083 -21.954 -19.033 319 HH12 ARG 52 2HH1 ARG 52 -15.583 -21.163 -20.491 320 HH21 ARG 52 1HH2 ARG 52 -15.649 -17.966 -19.076 321 HH22 ARG 52 2HH2 ARG 52 -15.903 -18.894 -20.515 322 H MET 53 H MET 53 -12.845 -20.426 -12.920 323 HA MET 53 HA MET 53 -10.457 -21.786 -13.633 324 HB2 MET 53 2HB MET 53 -12.204 -21.597 -11.316 325 HB3 MET 53 3HB MET 53 -11.605 -23.234 -11.553 326 HG2 MET 53 2HG MET 53 -9.843 -20.800 -11.451 327 HG3 MET 53 3HG MET 53 -10.215 -21.811 -10.057 328 HE1 MET 53 1HE MET 53 -7.480 -21.560 -13.068 329 HE2 MET 53 2HE MET 53 -7.645 -20.810 -11.480 330 HE3 MET 53 3HE MET 53 -6.509 -22.139 -11.714 Start of MODEL 10 1 H1 GLY 1 H GLY 1 2.792 1.630 -2.027 2 HA2 GLY 1 2HA GLY 1 3.018 -0.817 -1.303 3 HA3 GLY 1 3HA GLY 1 2.917 -0.539 -3.035 4 H SER 2 H SER 2 4.148 -2.779 -1.781 5 HA SER 2 HA SER 2 7.015 -2.323 -2.071 6 HB2 SER 2 2HB SER 2 5.504 -4.819 -1.259 7 HB3 SER 2 3HB SER 2 7.256 -4.623 -1.227 8 HG SER 2 HG SER 2 5.391 -3.811 0.574 9 H LYS 3 H LYS 3 4.449 -4.333 -3.475 10 HA LYS 3 HA LYS 3 6.010 -4.492 -5.947 11 HB2 LYS 3 2HB LYS 3 4.825 -6.848 -4.476 12 HB3 LYS 3 3HB LYS 3 5.334 -6.913 -6.159 13 HG2 LYS 3 2HG LYS 3 7.442 -7.249 -5.573 14 HG3 LYS 3 3HG LYS 3 7.433 -5.831 -4.521 15 HD2 LYS 3 2HD LYS 3 6.390 -7.184 -2.746 16 HD3 LYS 3 3HD LYS 3 6.469 -8.599 -3.799 17 HE2 LYS 3 2HE LYS 3 8.357 -8.824 -2.460 18 HE3 LYS 3 3HE LYS 3 8.990 -8.087 -3.931 19 HZ1 LYS 3 1HZ LYS 3 8.890 -5.926 -2.831 20 HZ2 LYS 3 2HZ LYS 3 9.882 -7.002 -1.983 21 HZ3 LYS 3 3HZ LYS 3 8.326 -6.658 -1.413 22 H LYS 4 H LYS 4 4.802 -3.865 -7.600 23 HA LYS 4 HA LYS 4 2.007 -4.639 -7.764 24 HB2 LYS 4 2HB LYS 4 1.273 -2.312 -8.233 25 HB3 LYS 4 3HB LYS 4 1.819 -2.547 -6.578 26 HG2 LYS 4 2HG LYS 4 3.748 -1.548 -8.617 27 HG3 LYS 4 3HG LYS 4 2.552 -0.443 -7.935 28 HD2 LYS 4 2HD LYS 4 3.359 -1.300 -5.652 29 HD3 LYS 4 3HD LYS 4 4.747 -1.940 -6.535 30 HE2 LYS 4 2HE LYS 4 3.856 0.942 -6.505 31 HE3 LYS 4 3HE LYS 4 5.202 0.276 -5.582 32 HZ1 LYS 4 1HZ LYS 4 5.983 -0.492 -7.930 33 HZ2 LYS 4 2HZ LYS 4 6.275 1.091 -7.410 34 HZ3 LYS 4 3HZ LYS 4 4.993 0.771 -8.466 35 HA PRO 5 HA PRO 5 4.427 -4.580 -11.767 36 HB2 PRO 5 2HB PRO 5 3.947 -7.176 -12.400 37 HB3 PRO 5 3HB PRO 5 5.320 -6.666 -11.411 38 HG2 PRO 5 2HG PRO 5 2.683 -7.793 -10.553 39 HG3 PRO 5 3HG PRO 5 4.309 -8.172 -9.956 40 HD2 PRO 5 2HD PRO 5 2.622 -6.515 -8.637 41 HD3 PRO 5 3HD PRO 5 4.385 -6.305 -8.606 42 H VAL 6 H VAL 6 1.430 -6.400 -11.098 43 HA VAL 6 HA VAL 6 0.277 -5.221 -13.544 44 HB VAL 6 HB VAL 6 0.601 -7.735 -13.539 45 HG11 VAL 6 1HG1 VAL 6 -0.919 -9.099 -12.275 46 HG12 VAL 6 2HG1 VAL 6 -0.051 -8.042 -11.159 47 HG13 VAL 6 3HG1 VAL 6 -1.716 -7.673 -11.611 48 HG21 VAL 6 1HG2 VAL 6 -1.356 -8.105 -14.768 49 HG22 VAL 6 2HG2 VAL 6 -2.294 -6.980 -13.786 50 HG23 VAL 6 3HG2 VAL 6 -1.080 -6.369 -14.909 51 HA PRO 7 HA PRO 7 -2.537 -3.213 -10.764 52 HB2 PRO 7 2HB PRO 7 -4.201 -2.219 -12.665 53 HB3 PRO 7 3HB PRO 7 -2.613 -1.525 -12.320 54 HG2 PRO 7 2HG PRO 7 -3.425 -3.399 -14.508 55 HG3 PRO 7 3HG PRO 7 -2.375 -1.973 -14.589 56 HD2 PRO 7 2HD PRO 7 -1.400 -4.497 -14.486 57 HD3 PRO 7 3HD PRO 7 -0.550 -3.115 -13.766 58 H ILE 8 H ILE 8 -3.417 -5.615 -13.130 59 HA ILE 8 HA ILE 8 -6.007 -6.022 -11.796 60 HB ILE 8 HB ILE 8 -6.860 -6.955 -13.726 61 HG12 ILE 8 2HG1 ILE 8 -4.062 -7.810 -14.178 62 HG13 ILE 8 3HG1 ILE 8 -5.564 -8.692 -14.428 63 HG21 ILE 8 1HG2 ILE 8 -6.223 -4.557 -14.026 64 HG22 ILE 8 2HG2 ILE 8 -4.782 -5.107 -14.880 65 HG23 ILE 8 3HG2 ILE 8 -6.382 -5.466 -15.529 66 HD11 ILE 8 1HD1 ILE 8 -4.560 -8.392 -16.546 67 HD12 ILE 8 2HD1 ILE 8 -5.930 -7.284 -16.468 68 HD13 ILE 8 3HD1 ILE 8 -4.290 -6.675 -16.250 69 H ILE 9 H ILE 9 -6.500 -7.920 -10.812 70 HA ILE 9 HA ILE 9 -4.583 -10.132 -10.996 71 HB ILE 9 HB ILE 9 -4.109 -10.250 -8.787 72 HG12 ILE 9 2HG1 ILE 9 -6.322 -8.742 -7.596 73 HG13 ILE 9 3HG1 ILE 9 -6.848 -10.157 -8.501 74 HG21 ILE 9 1HG2 ILE 9 -3.627 -8.137 -7.879 75 HG22 ILE 9 2HG2 ILE 9 -3.601 -7.904 -9.626 76 HG23 ILE 9 3HG2 ILE 9 -5.001 -7.384 -8.688 77 HD11 ILE 9 1HD1 ILE 9 -5.843 -11.616 -7.063 78 HD12 ILE 9 2HD1 ILE 9 -4.617 -10.452 -6.561 79 HD13 ILE 9 3HD1 ILE 9 -6.267 -10.311 -5.956 80 H TYR 10 H TYR 10 -5.517 -12.085 -9.702 81 HA TYR 10 HA TYR 10 -8.433 -12.217 -10.006 82 HB2 TYR 10 2HB TYR 10 -8.011 -14.602 -10.929 83 HB3 TYR 10 3HB TYR 10 -7.816 -13.232 -12.016 84 HD1 TYR 10 HD1 TYR 10 -5.299 -13.927 -9.458 85 HD2 TYR 10 HD2 TYR 10 -6.402 -14.528 -13.523 86 HE1 TYR 10 HE1 TYR 10 -3.007 -14.661 -9.964 87 HE2 TYR 10 HE2 TYR 10 -4.113 -15.265 -14.041 88 HH TYR 10 HH TYR 10 -2.172 -16.170 -12.918 89 H CYS 11 H CYS 11 -8.153 -11.967 -7.636 90 HA CYS 11 HA CYS 11 -7.511 -14.544 -6.357 91 HB2 CYS 11 2HB CYS 11 -5.987 -12.853 -5.576 92 HB3 CYS 11 3HB CYS 11 -7.310 -11.733 -5.266 93 H ASN 12 H ASN 12 -9.386 -15.589 -6.092 94 HA ASN 12 HA ASN 12 -11.776 -14.102 -5.307 95 HB2 ASN 12 2HB ASN 12 -12.334 -15.569 -7.029 96 HB3 ASN 12 3HB ASN 12 -11.282 -16.843 -6.419 97 HD21 ASN 12 1HD2 ASN 12 -11.935 -17.862 -4.380 98 HD22 ASN 12 2HD2 ASN 12 -13.622 -18.069 -4.069 99 H ALA 13 H ALA 13 -13.222 -15.258 -3.677 100 HA ALA 13 HA ALA 13 -12.239 -15.172 -1.167 101 HB1 ALA 13 1HB ALA 13 -14.619 -15.440 -1.710 102 HB2 ALA 13 2HB ALA 13 -14.331 -17.139 -2.088 103 HB3 ALA 13 3HB ALA 13 -14.099 -16.551 -0.442 104 H ALA 14 H ALA 14 -12.187 -17.174 0.400 105 HA ALA 14 HA ALA 14 -9.812 -18.486 0.128 106 HB1 ALA 14 1HB ALA 14 -10.985 -18.455 2.225 107 HB2 ALA 14 2HB ALA 14 -12.284 -19.447 1.561 108 HB3 ALA 14 3HB ALA 14 -10.672 -20.131 1.773 109 H THR 15 H THR 15 -9.403 -19.341 -1.887 110 HA THR 15 HA THR 15 -10.803 -21.851 -2.484 111 HB THR 15 HB THR 15 -11.789 -20.240 -3.998 112 HG1 THR 15 HG1 THR 15 -11.621 -21.981 -5.219 113 HG21 THR 15 1HG2 THR 15 -9.699 -18.716 -3.853 114 HG22 THR 15 2HG2 THR 15 -10.610 -18.767 -5.362 115 HG23 THR 15 3HG2 THR 15 -9.105 -19.674 -5.208 116 H GLY 16 H GLY 16 -9.458 -22.601 -4.743 117 HA2 GLY 16 2HA GLY 16 -6.798 -23.122 -3.648 118 HA3 GLY 16 3HA GLY 16 -7.565 -23.989 -4.970 119 H LYS 17 H LYS 17 -7.558 -20.518 -4.936 120 HA LYS 17 HA LYS 17 -5.153 -20.156 -6.413 121 HB2 LYS 17 2HB LYS 17 -5.841 -20.100 -8.574 122 HB3 LYS 17 3HB LYS 17 -7.071 -21.209 -7.982 123 HG2 LYS 17 2HG LYS 17 -7.477 -18.234 -8.106 124 HG3 LYS 17 3HG LYS 17 -7.886 -19.324 -9.433 125 HD2 LYS 17 2HD LYS 17 -8.980 -20.404 -7.046 126 HD3 LYS 17 3HD LYS 17 -9.409 -18.693 -7.113 127 HE2 LYS 17 2HE LYS 17 -11.016 -19.202 -8.558 128 HE3 LYS 17 3HE LYS 17 -9.776 -19.694 -9.710 129 HZ1 LYS 17 1HZ LYS 17 -11.055 -21.448 -7.683 130 HZ2 LYS 17 2HZ LYS 17 -9.850 -21.924 -8.770 131 HZ3 LYS 17 3HZ LYS 17 -11.371 -21.460 -9.345 132 H CYS 18 H CYS 18 -4.517 -18.094 -6.225 133 HA CYS 18 HA CYS 18 -6.267 -15.866 -6.284 134 HB2 CYS 18 2HB CYS 18 -6.995 -16.297 -4.117 135 HB3 CYS 18 3HB CYS 18 -5.435 -16.938 -3.612 136 H GLN 19 H GLN 19 -5.070 -14.339 -7.186 137 HA GLN 19 HA GLN 19 -2.779 -13.204 -6.201 138 HB2 GLN 19 2HB GLN 19 -1.154 -14.206 -8.015 139 HB3 GLN 19 3HB GLN 19 -1.368 -15.000 -6.460 140 HG2 GLN 19 2HG GLN 19 -2.345 -16.803 -7.365 141 HG3 GLN 19 3HG GLN 19 -3.238 -15.853 -8.552 142 HE21 GLN 19 1HE2 GLN 19 -1.188 -14.559 -9.839 143 HE22 GLN 19 2HE2 GLN 19 -0.216 -15.713 -10.681 144 H ARG 20 H ARG 20 -1.350 -12.946 -8.766 145 HA ARG 20 HA ARG 20 -3.377 -11.559 -10.380 146 HB2 ARG 20 2HB ARG 20 -2.180 -9.571 -10.475 147 HB3 ARG 20 3HB ARG 20 -1.961 -10.062 -8.801 148 HG2 ARG 20 2HG ARG 20 0.010 -10.339 -11.055 149 HG3 ARG 20 3HG ARG 20 0.133 -9.294 -9.638 150 HD2 ARG 20 2HD ARG 20 0.330 -12.289 -9.779 151 HD3 ARG 20 3HD ARG 20 1.530 -11.138 -9.193 152 HE ARG 20 HE ARG 20 -0.987 -11.283 -7.736 153 HH11 ARG 20 1HH1 ARG 20 2.375 -12.166 -7.944 154 HH12 ARG 20 2HH1 ARG 20 2.508 -12.565 -6.264 155 HH21 ARG 20 1HH2 ARG 20 -0.823 -11.805 -5.522 156 HH22 ARG 20 2HH2 ARG 20 0.689 -12.361 -4.887 157 H MET 21 H MET 21 -2.296 -10.799 -12.526 158 HA MET 21 HA MET 21 -1.391 -13.133 -13.862 159 HB2 MET 21 2HB MET 21 -2.202 -10.435 -14.578 160 HB3 MET 21 3HB MET 21 -0.840 -10.984 -15.545 161 HG2 MET 21 2HG MET 21 -3.324 -12.628 -15.184 162 HG3 MET 21 3HG MET 21 -3.155 -11.426 -16.462 163 HE1 MET 21 1HE MET 21 -0.026 -12.277 -18.092 164 HE2 MET 21 2HE MET 21 -1.434 -12.631 -19.094 165 HE3 MET 21 3HE MET 21 -1.461 -11.256 -17.988 166 H1 GLY 33 H GLY 33 -26.315 -19.488 -20.516 167 HA2 GLY 33 2HA GLY 33 -26.735 -21.133 -18.114 168 HA3 GLY 33 3HA GLY 33 -27.938 -20.811 -19.354 169 H SER 34 H SER 34 -24.635 -21.734 -20.068 170 HA SER 34 HA SER 34 -25.649 -24.312 -21.073 171 HB2 SER 34 2HB SER 34 -24.973 -23.305 -23.028 172 HB3 SER 34 3HB SER 34 -23.744 -22.327 -22.225 173 HG SER 34 HG SER 34 -23.406 -24.596 -23.529 174 H LYS 35 H LYS 35 -22.821 -22.680 -19.684 175 HA LYS 35 HA LYS 35 -22.140 -25.158 -18.292 176 HB2 LYS 35 2HB LYS 35 -19.727 -24.826 -18.859 177 HB3 LYS 35 3HB LYS 35 -20.732 -25.275 -20.231 178 HG2 LYS 35 2HG LYS 35 -20.772 -22.505 -20.240 179 HG3 LYS 35 3HG LYS 35 -19.109 -22.920 -19.818 180 HD2 LYS 35 2HD LYS 35 -19.360 -24.620 -21.799 181 HD3 LYS 35 3HD LYS 35 -20.652 -23.527 -22.301 182 HE2 LYS 35 2HE LYS 35 -17.848 -22.624 -21.671 183 HE3 LYS 35 3HE LYS 35 -18.393 -23.050 -23.292 184 HZ1 LYS 35 1HZ LYS 35 -20.048 -21.307 -23.169 185 HZ2 LYS 35 2HZ LYS 35 -18.508 -20.664 -22.896 186 HZ3 LYS 35 3HZ LYS 35 -19.564 -20.911 -21.597 187 H LYS 36 H LYS 36 -21.862 -24.743 -16.209 188 HA LYS 36 HA LYS 36 -20.492 -22.328 -15.354 189 HB2 LYS 36 2HB LYS 36 -22.288 -21.752 -13.733 190 HB3 LYS 36 3HB LYS 36 -22.773 -21.546 -15.411 191 HG2 LYS 36 2HG LYS 36 -23.385 -24.110 -14.021 192 HG3 LYS 36 3HG LYS 36 -24.372 -22.684 -13.695 193 HD2 LYS 36 2HD LYS 36 -23.881 -23.128 -16.538 194 HD3 LYS 36 3HD LYS 36 -24.745 -24.457 -15.761 195 HE2 LYS 36 2HE LYS 36 -25.534 -21.550 -15.602 196 HE3 LYS 36 3HE LYS 36 -26.249 -22.730 -16.699 197 HZ1 LYS 36 1HZ LYS 36 -26.584 -24.005 -14.425 198 HZ2 LYS 36 2HZ LYS 36 -27.712 -22.883 -14.998 199 HZ3 LYS 36 3HZ LYS 36 -26.590 -22.426 -13.818 200 HA PRO 37 HA PRO 37 -19.659 -26.218 -12.894 201 HB2 PRO 37 2HB PRO 37 -16.969 -26.185 -13.257 202 HB3 PRO 37 3HB PRO 37 -18.080 -26.978 -14.380 203 HG2 PRO 37 2HG PRO 37 -16.784 -24.287 -14.580 204 HG3 PRO 37 3HG PRO 37 -17.004 -25.520 -15.836 205 HD2 PRO 37 2HD PRO 37 -18.611 -23.350 -15.627 206 HD3 PRO 37 3HD PRO 37 -19.195 -24.918 -16.220 207 H VAL 38 H VAL 38 -17.689 -23.254 -13.088 208 HA VAL 38 HA VAL 38 -17.455 -23.303 -10.152 209 HB VAL 38 HB VAL 38 -15.317 -23.357 -11.455 210 HG11 VAL 38 1HG1 VAL 38 -16.165 -21.851 -13.275 211 HG12 VAL 38 2HG1 VAL 38 -15.968 -20.501 -12.155 212 HG13 VAL 38 3HG1 VAL 38 -14.564 -21.445 -12.656 213 HG21 VAL 38 1HG2 VAL 38 -15.672 -22.359 -9.112 214 HG22 VAL 38 2HG2 VAL 38 -14.181 -21.963 -9.966 215 HG23 VAL 38 3HG2 VAL 38 -15.501 -20.794 -9.907 216 HA PRO 39 HA PRO 39 -20.197 -19.810 -10.174 217 HB2 PRO 39 2HB PRO 39 -19.988 -19.244 -7.527 218 HB3 PRO 39 3HB PRO 39 -20.948 -20.592 -8.148 219 HG2 PRO 39 2HG PRO 39 -18.190 -20.609 -6.984 220 HG3 PRO 39 3HG PRO 39 -19.530 -21.737 -6.704 221 HD2 PRO 39 2HD PRO 39 -17.479 -22.299 -8.380 222 HD3 PRO 39 3HD PRO 39 -19.129 -22.896 -8.655 223 H ILE 40 H ILE 40 -16.881 -19.792 -9.126 224 HA ILE 40 HA ILE 40 -16.830 -16.856 -9.148 225 HB ILE 40 HB ILE 40 -14.955 -16.889 -7.820 226 HG12 ILE 40 2HG1 ILE 40 -14.338 -19.373 -9.298 227 HG13 ILE 40 3HG1 ILE 40 -13.274 -18.059 -8.808 228 HG21 ILE 40 1HG2 ILE 40 -16.140 -19.544 -7.042 229 HG22 ILE 40 2HG2 ILE 40 -15.348 -18.364 -6.000 230 HG23 ILE 40 3HG2 ILE 40 -16.919 -17.997 -6.711 231 HD11 ILE 40 1HD1 ILE 40 -13.350 -18.964 -6.491 232 HD12 ILE 40 2HD1 ILE 40 -14.240 -20.350 -7.122 233 HD13 ILE 40 3HD1 ILE 40 -12.595 -20.033 -7.672 234 H ILE 41 H ILE 41 -15.550 -15.709 -10.544 235 HA ILE 41 HA ILE 41 -13.939 -17.203 -12.486 236 HB ILE 41 HB ILE 41 -15.067 -16.552 -14.313 237 HG12 ILE 41 2HG1 ILE 41 -16.339 -14.063 -13.503 238 HG13 ILE 41 3HG1 ILE 41 -14.599 -14.028 -13.237 239 HG21 ILE 41 1HG2 ILE 41 -17.239 -15.843 -12.347 240 HG22 ILE 41 2HG2 ILE 41 -17.448 -16.355 -14.020 241 HG23 ILE 41 3HG2 ILE 41 -16.814 -17.486 -12.825 242 HD11 ILE 41 1HD1 ILE 41 -14.120 -14.146 -15.460 243 HD12 ILE 41 2HD1 ILE 41 -15.608 -15.008 -15.851 244 HD13 ILE 41 3HD1 ILE 41 -15.653 -13.277 -15.516 245 H TYR 42 H TYR 42 -12.640 -15.627 -13.883 246 HA TYR 42 HA TYR 42 -11.921 -13.194 -12.415 247 HB2 TYR 42 2HB TYR 42 -9.467 -13.835 -12.941 248 HB3 TYR 42 3HB TYR 42 -10.260 -14.602 -11.569 249 HD1 TYR 42 HD1 TYR 42 -11.209 -15.652 -14.917 250 HD2 TYR 42 HD2 TYR 42 -8.579 -16.409 -11.659 251 HE1 TYR 42 HE1 TYR 42 -10.688 -17.864 -15.859 252 HE2 TYR 42 HE2 TYR 42 -8.051 -18.622 -12.592 253 HH TYR 42 HH TYR 42 -9.246 -19.621 -15.744 254 H CYS 43 H CYS 43 -13.196 -12.376 -14.279 255 HA CYS 43 HA CYS 43 -11.611 -12.283 -16.756 256 HB2 CYS 43 2HB CYS 43 -13.805 -13.143 -17.186 257 HB3 CYS 43 3HB CYS 43 -14.558 -11.848 -16.260 258 H ASN 44 H ASN 44 -10.279 -10.574 -16.616 259 HA ASN 44 HA ASN 44 -11.269 -8.060 -15.502 260 HB2 ASN 44 2HB ASN 44 -9.159 -8.515 -14.614 261 HB3 ASN 44 3HB ASN 44 -8.542 -9.138 -16.142 262 HD21 ASN 44 1HD2 ASN 44 -8.223 -7.574 -17.877 263 HD22 ASN 44 2HD2 ASN 44 -7.743 -5.965 -17.468 264 H ALA 45 H ALA 45 -10.456 -6.038 -16.684 265 HA ALA 45 HA ALA 45 -11.773 -5.606 -18.999 266 HB1 ALA 45 1HB ALA 45 -10.825 -3.577 -18.969 267 HB2 ALA 45 2HB ALA 45 -10.068 -4.123 -17.472 268 HB3 ALA 45 3HB ALA 45 -9.188 -4.234 -18.996 269 H ALA 46 H ALA 46 -10.646 -4.972 -21.180 270 HA ALA 46 HA ALA 46 -10.025 -7.238 -22.579 271 HB1 ALA 46 1HB ALA 46 -10.603 -5.214 -23.722 272 HB2 ALA 46 2HB ALA 46 -9.147 -4.410 -23.135 273 HB3 ALA 46 3HB ALA 46 -9.017 -5.737 -24.289 274 H THR 47 H THR 47 -8.559 -8.601 -21.605 275 HA THR 47 HA THR 47 -5.755 -7.746 -21.774 276 HB THR 47 HB THR 47 -6.300 -7.590 -19.419 277 HG1 THR 47 HG1 THR 47 -4.652 -8.882 -18.704 278 HG21 THR 47 1HG2 THR 47 -8.208 -9.365 -19.732 279 HG22 THR 47 2HG2 THR 47 -7.394 -9.196 -18.176 280 HG23 THR 47 3HG2 THR 47 -6.942 -10.503 -19.271 281 H GLY 48 H GLY 48 -4.520 -10.044 -20.968 282 HA2 GLY 48 2HA GLY 48 -5.153 -11.817 -23.194 283 HA3 GLY 48 3HA GLY 48 -3.699 -11.860 -22.208 284 H LYS 49 H LYS 49 -6.787 -11.703 -20.654 285 HA LYS 49 HA LYS 49 -7.243 -14.499 -20.430 286 HB2 LYS 49 2HB LYS 49 -6.185 -15.081 -18.531 287 HB3 LYS 49 3HB LYS 49 -5.178 -13.673 -18.840 288 HG2 LYS 49 2HG LYS 49 -7.706 -13.440 -17.255 289 HG3 LYS 49 3HG LYS 49 -6.198 -13.969 -16.504 290 HD2 LYS 49 2HD LYS 49 -5.367 -11.774 -17.873 291 HD3 LYS 49 3HD LYS 49 -7.015 -11.306 -17.446 292 HE2 LYS 49 2HE LYS 49 -5.310 -12.521 -15.335 293 HE3 LYS 49 3HE LYS 49 -4.964 -10.864 -15.827 294 HZ1 LYS 49 1HZ LYS 49 -7.609 -10.763 -15.524 295 HZ2 LYS 49 2HZ LYS 49 -6.513 -10.389 -14.292 296 HZ3 LYS 49 3HZ LYS 49 -7.224 -11.922 -14.353 297 H CYS 50 H CYS 50 -9.302 -14.842 -19.837 298 HA CYS 50 HA CYS 50 -10.720 -13.263 -17.962 299 HB2 CYS 50 2HB CYS 50 -10.945 -11.535 -19.511 300 HB3 CYS 50 3HB CYS 50 -11.071 -12.641 -20.875 301 H GLN 51 H GLN 51 -11.805 -14.869 -17.037 302 HA GLN 51 HA GLN 51 -13.988 -16.136 -18.098 303 HB2 GLN 51 2HB GLN 51 -13.198 -18.405 -18.611 304 HB3 GLN 51 3HB GLN 51 -12.501 -17.214 -19.701 305 HG2 GLN 51 2HG GLN 51 -11.045 -18.173 -17.263 306 HG3 GLN 51 3HG GLN 51 -10.969 -19.033 -18.800 307 HE21 GLN 51 1HE2 GLN 51 -9.934 -16.297 -17.003 308 HE22 GLN 51 2HE2 GLN 51 -8.852 -15.651 -18.185 309 H ARG 52 H ARG 52 -13.050 -18.848 -16.959 310 HA ARG 52 HA ARG 52 -12.928 -18.126 -14.120 311 HB2 ARG 52 2HB ARG 52 -14.788 -19.378 -13.506 312 HB3 ARG 52 3HB ARG 52 -15.318 -18.618 -15.000 313 HG2 ARG 52 2HG ARG 52 -14.378 -21.451 -14.631 314 HG3 ARG 52 3HG ARG 52 -16.009 -20.901 -15.023 315 HD2 ARG 52 2HD ARG 52 -13.549 -20.866 -16.745 316 HD3 ARG 52 3HD ARG 52 -15.102 -21.640 -17.061 317 HE ARG 52 HE ARG 52 -15.047 -18.728 -16.875 318 HH11 ARG 52 1HH1 ARG 52 -15.239 -21.590 -18.848 319 HH12 ARG 52 2HH1 ARG 52 -15.855 -20.752 -20.234 320 HH21 ARG 52 1HH2 ARG 52 -15.857 -17.613 -18.692 321 HH22 ARG 52 2HH2 ARG 52 -16.205 -18.489 -20.144 322 H MET 53 H MET 53 -12.731 -20.288 -12.799 323 HA MET 53 HA MET 53 -10.530 -21.769 -14.036 324 HB2 MET 53 2HB MET 53 -11.303 -21.087 -11.254 325 HB3 MET 53 3HB MET 53 -10.502 -22.634 -11.493 326 HG2 MET 53 2HG MET 53 -8.922 -20.955 -12.945 327 HG3 MET 53 3HG MET 53 -9.434 -19.919 -11.615 328 HE1 MET 53 1HE MET 53 -6.806 -22.912 -12.479 329 HE2 MET 53 2HE MET 53 -6.738 -21.170 -12.741 330 HE3 MET 53 3HE MET 53 -5.784 -21.905 -11.452 Start of MODEL 11 1 H1 GLY 1 H GLY 1 3.475 1.370 -1.251 2 HA2 GLY 1 2HA GLY 1 3.598 -0.943 -1.104 3 HA3 GLY 1 3HA GLY 1 3.371 -0.791 -2.840 4 H SER 2 H SER 2 4.565 -2.925 -2.618 5 HA SER 2 HA SER 2 7.471 -2.430 -2.647 6 HB2 SER 2 2HB SER 2 5.977 -4.955 -1.901 7 HB3 SER 2 3HB SER 2 7.731 -4.834 -2.042 8 HG SER 2 HG SER 2 7.402 -3.005 -0.454 9 H LYS 3 H LYS 3 4.862 -4.360 -4.082 10 HA LYS 3 HA LYS 3 6.285 -4.289 -6.635 11 HB2 LYS 3 2HB LYS 3 5.658 -6.728 -6.977 12 HB3 LYS 3 3HB LYS 3 6.976 -6.413 -5.857 13 HG2 LYS 3 2HG LYS 3 4.518 -6.430 -4.411 14 HG3 LYS 3 3HG LYS 3 4.617 -7.884 -5.408 15 HD2 LYS 3 2HD LYS 3 7.048 -7.094 -3.902 16 HD3 LYS 3 3HD LYS 3 5.692 -7.736 -2.972 17 HE2 LYS 3 2HE LYS 3 5.676 -9.635 -4.707 18 HE3 LYS 3 3HE LYS 3 7.284 -9.060 -5.145 19 HZ1 LYS 3 1HZ LYS 3 8.028 -9.439 -2.907 20 HZ2 LYS 3 2HZ LYS 3 7.326 -10.860 -3.497 21 HZ3 LYS 3 3HZ LYS 3 6.474 -9.885 -2.409 22 H LYS 4 H LYS 4 4.952 -3.608 -8.167 23 HA LYS 4 HA LYS 4 2.167 -4.465 -8.173 24 HB2 LYS 4 2HB LYS 4 2.798 -1.538 -8.489 25 HB3 LYS 4 3HB LYS 4 1.230 -2.297 -8.251 26 HG2 LYS 4 2HG LYS 4 1.610 -1.424 -6.173 27 HG3 LYS 4 3HG LYS 4 2.272 -3.048 -5.973 28 HD2 LYS 4 2HD LYS 4 4.101 -1.989 -5.219 29 HD3 LYS 4 3HD LYS 4 4.432 -1.677 -6.925 30 HE2 LYS 4 2HE LYS 4 2.769 0.176 -5.240 31 HE3 LYS 4 3HE LYS 4 4.523 0.315 -5.340 32 HZ1 LYS 4 1HZ LYS 4 2.495 0.867 -7.374 33 HZ2 LYS 4 2HZ LYS 4 3.985 0.264 -7.899 34 HZ3 LYS 4 3HZ LYS 4 3.920 1.705 -7.015 35 HA PRO 5 HA PRO 5 4.289 -4.288 -12.336 36 HB2 PRO 5 2HB PRO 5 3.787 -6.873 -12.993 37 HB3 PRO 5 3HB PRO 5 5.224 -6.372 -12.093 38 HG2 PRO 5 2HG PRO 5 2.664 -7.545 -11.076 39 HG3 PRO 5 3HG PRO 5 4.332 -7.921 -10.605 40 HD2 PRO 5 2HD PRO 5 2.729 -6.311 -9.131 41 HD3 PRO 5 3HD PRO 5 4.488 -6.084 -9.221 42 H VAL 6 H VAL 6 1.364 -6.153 -11.498 43 HA VAL 6 HA VAL 6 0.040 -4.965 -13.849 44 HB VAL 6 HB VAL 6 0.319 -7.459 -13.890 45 HG11 VAL 6 1HG1 VAL 6 -1.762 -7.452 -11.712 46 HG12 VAL 6 2HG1 VAL 6 -0.966 -8.849 -12.440 47 HG13 VAL 6 3HG1 VAL 6 -0.046 -7.736 -11.426 48 HG21 VAL 6 1HG2 VAL 6 -2.586 -6.712 -13.764 49 HG22 VAL 6 2HG2 VAL 6 -1.526 -6.107 -15.037 50 HG23 VAL 6 3HG2 VAL 6 -1.784 -7.842 -14.854 51 HA PRO 7 HA PRO 7 -2.529 -2.892 -10.881 52 HB2 PRO 7 2HB PRO 7 -4.284 -1.849 -12.670 53 HB3 PRO 7 3HB PRO 7 -2.661 -1.194 -12.423 54 HG2 PRO 7 2HG PRO 7 -3.654 -3.037 -14.562 55 HG3 PRO 7 3HG PRO 7 -2.577 -1.636 -14.704 56 HD2 PRO 7 2HD PRO 7 -1.658 -4.183 -14.672 57 HD3 PRO 7 3HD PRO 7 -0.732 -2.825 -14.001 58 H ILE 8 H ILE 8 -3.618 -5.253 -13.201 59 HA ILE 8 HA ILE 8 -6.157 -5.576 -11.764 60 HB ILE 8 HB ILE 8 -7.066 -6.579 -13.629 61 HG12 ILE 8 2HG1 ILE 8 -4.307 -7.543 -14.067 62 HG13 ILE 8 3HG1 ILE 8 -5.840 -8.379 -14.282 63 HG21 ILE 8 1HG2 ILE 8 -6.307 -4.204 -14.041 64 HG22 ILE 8 2HG2 ILE 8 -4.975 -4.887 -14.972 65 HG23 ILE 8 3HG2 ILE 8 -6.641 -5.169 -15.478 66 HD11 ILE 8 1HD1 ILE 8 -4.498 -6.482 -16.183 67 HD12 ILE 8 2HD1 ILE 8 -4.829 -8.200 -16.410 68 HD13 ILE 8 3HD1 ILE 8 -6.159 -7.043 -16.376 69 H ILE 9 H ILE 9 -6.702 -7.445 -10.728 70 HA ILE 9 HA ILE 9 -4.800 -9.677 -10.799 71 HB ILE 9 HB ILE 9 -4.276 -9.632 -8.620 72 HG12 ILE 9 2HG1 ILE 9 -6.569 -8.356 -7.365 73 HG13 ILE 9 3HG1 ILE 9 -7.047 -9.735 -8.349 74 HG21 ILE 9 1HG2 ILE 9 -3.866 -7.311 -9.368 75 HG22 ILE 9 2HG2 ILE 9 -5.436 -6.852 -8.713 76 HG23 ILE 9 3HG2 ILE 9 -4.167 -7.433 -7.635 77 HD11 ILE 9 1HD1 ILE 9 -5.995 -11.233 -7.004 78 HD12 ILE 9 2HD1 ILE 9 -4.763 -10.079 -6.493 79 HD13 ILE 9 3HD1 ILE 9 -6.388 -9.992 -5.814 80 H TYR 10 H TYR 10 -5.737 -11.611 -9.572 81 HA TYR 10 HA TYR 10 -8.659 -11.715 -9.738 82 HB2 TYR 10 2HB TYR 10 -8.304 -14.056 -10.818 83 HB3 TYR 10 3HB TYR 10 -8.209 -12.622 -11.833 84 HD1 TYR 10 HD1 TYR 10 -5.471 -13.359 -9.546 85 HD2 TYR 10 HD2 TYR 10 -6.928 -13.882 -13.509 86 HE1 TYR 10 HE1 TYR 10 -3.221 -14.032 -10.278 87 HE2 TYR 10 HE2 TYR 10 -4.683 -14.557 -14.251 88 HH TYR 10 HH TYR 10 -1.978 -14.774 -11.960 89 H CYS 11 H CYS 11 -8.238 -11.614 -7.382 90 HA CYS 11 HA CYS 11 -7.440 -14.227 -6.285 91 HB2 CYS 11 2HB CYS 11 -6.040 -12.496 -5.403 92 HB3 CYS 11 3HB CYS 11 -7.428 -11.471 -5.052 93 H ASN 12 H ASN 12 -9.239 -15.427 -6.108 94 HA ASN 12 HA ASN 12 -11.704 -14.188 -5.135 95 HB2 ASN 12 2HB ASN 12 -12.206 -15.494 -7.001 96 HB3 ASN 12 3HB ASN 12 -11.071 -16.761 -6.543 97 HD21 ASN 12 1HD2 ASN 12 -11.624 -18.040 -4.635 98 HD22 ASN 12 2HD2 ASN 12 -13.290 -18.370 -4.316 99 H ALA 13 H ALA 13 -13.033 -15.644 -3.631 100 HA ALA 13 HA ALA 13 -12.008 -15.750 -1.137 101 HB1 ALA 13 1HB ALA 13 -13.872 -16.900 -0.500 102 HB2 ALA 13 2HB ALA 13 -14.388 -16.369 -2.101 103 HB3 ALA 13 3HB ALA 13 -13.792 -18.012 -1.867 104 H ALA 14 H ALA 14 -11.739 -17.882 0.205 105 HA ALA 14 HA ALA 14 -9.275 -18.964 -0.277 106 HB1 ALA 14 1HB ALA 14 -9.934 -20.810 1.244 107 HB2 ALA 14 2HB ALA 14 -10.345 -19.209 1.861 108 HB3 ALA 14 3HB ALA 14 -11.599 -20.234 1.163 109 H THR 15 H THR 15 -8.898 -19.607 -2.375 110 HA THR 15 HA THR 15 -10.146 -22.151 -3.144 111 HB THR 15 HB THR 15 -11.293 -20.484 -4.474 112 HG1 THR 15 HG1 THR 15 -10.428 -21.199 -6.613 113 HG21 THR 15 1HG2 THR 15 -8.754 -19.633 -5.796 114 HG22 THR 15 2HG2 THR 15 -9.218 -18.885 -4.267 115 HG23 THR 15 3HG2 THR 15 -10.292 -18.782 -5.661 116 H GLY 16 H GLY 16 -8.842 -22.608 -5.502 117 HA2 GLY 16 2HA GLY 16 -6.128 -23.078 -4.543 118 HA3 GLY 16 3HA GLY 16 -6.877 -23.814 -5.952 119 H LYS 17 H LYS 17 -7.113 -20.390 -5.533 120 HA LYS 17 HA LYS 17 -4.745 -19.668 -6.927 121 HB2 LYS 17 2HB LYS 17 -5.391 -19.522 -9.086 122 HB3 LYS 17 3HB LYS 17 -6.594 -20.717 -8.617 123 HG2 LYS 17 2HG LYS 17 -7.144 -17.775 -8.444 124 HG3 LYS 17 3HG LYS 17 -7.388 -18.687 -9.935 125 HD2 LYS 17 2HD LYS 17 -8.633 -20.251 -8.046 126 HD3 LYS 17 3HD LYS 17 -8.991 -18.612 -7.497 127 HE2 LYS 17 2HE LYS 17 -9.311 -19.171 -10.389 128 HE3 LYS 17 3HE LYS 17 -10.486 -19.903 -9.298 129 HZ1 LYS 17 1HZ LYS 17 -11.423 -17.870 -9.819 130 HZ2 LYS 17 2HZ LYS 17 -9.948 -17.045 -9.780 131 HZ3 LYS 17 3HZ LYS 17 -10.673 -17.548 -8.337 132 H CYS 18 H CYS 18 -4.307 -17.585 -6.529 133 HA CYS 18 HA CYS 18 -6.250 -15.528 -6.415 134 HB2 CYS 18 2HB CYS 18 -6.985 -16.223 -4.325 135 HB3 CYS 18 3HB CYS 18 -5.390 -16.792 -3.840 136 H GLN 19 H GLN 19 -5.091 -13.974 -7.333 137 HA GLN 19 HA GLN 19 -3.045 -12.584 -6.162 138 HB2 GLN 19 2HB GLN 19 -1.014 -13.339 -7.245 139 HB3 GLN 19 3HB GLN 19 -1.729 -14.670 -6.344 140 HG2 GLN 19 2HG GLN 19 -2.690 -14.637 -9.057 141 HG3 GLN 19 3HG GLN 19 -0.928 -14.665 -9.009 142 HE21 GLN 19 1HE2 GLN 19 -3.846 -16.318 -8.011 143 HE22 GLN 19 2HE2 GLN 19 -3.112 -17.859 -7.745 144 H ARG 20 H ARG 20 -1.469 -12.600 -8.835 145 HA ARG 20 HA ARG 20 -3.446 -11.238 -10.517 146 HB2 ARG 20 2HB ARG 20 -2.245 -9.257 -10.699 147 HB3 ARG 20 3HB ARG 20 -2.063 -9.655 -8.995 148 HG2 ARG 20 2HG ARG 20 -0.043 -10.069 -11.185 149 HG3 ARG 20 3HG ARG 20 0.048 -8.929 -9.842 150 HD2 ARG 20 2HD ARG 20 0.254 -11.925 -9.773 151 HD3 ARG 20 3HD ARG 20 1.435 -10.732 -9.235 152 HE ARG 20 HE ARG 20 -1.127 -10.832 -7.842 153 HH11 ARG 20 1HH1 ARG 20 2.277 -11.559 -7.884 154 HH12 ARG 20 2HH1 ARG 20 2.377 -11.809 -6.172 155 HH21 ARG 20 1HH2 ARG 20 -1.008 -11.158 -5.588 156 HH22 ARG 20 2HH2 ARG 20 0.508 -11.581 -4.867 157 H MET 21 H MET 21 -2.272 -10.560 -12.666 158 HA MET 21 HA MET 21 -1.356 -12.975 -13.861 159 HB2 MET 21 2HB MET 21 -1.781 -10.168 -14.805 160 HB3 MET 21 3HB MET 21 -0.875 -11.285 -15.817 161 HG2 MET 21 2HG MET 21 -3.470 -12.229 -14.760 162 HG3 MET 21 3HG MET 21 -3.509 -10.974 -15.997 163 HE1 MET 21 1HE MET 21 -2.549 -12.230 -19.090 164 HE2 MET 21 2HE MET 21 -2.107 -10.981 -17.926 165 HE3 MET 21 3HE MET 21 -0.960 -12.261 -18.325 166 H1 GLY 33 H GLY 33 -25.812 -18.527 -18.074 167 HA2 GLY 33 2HA GLY 33 -27.388 -20.153 -17.698 168 HA3 GLY 33 3HA GLY 33 -28.284 -19.417 -19.019 169 H SER 34 H SER 34 -25.099 -20.702 -19.548 170 HA SER 34 HA SER 34 -26.285 -23.040 -20.892 171 HB2 SER 34 2HB SER 34 -24.686 -20.892 -22.017 172 HB3 SER 34 3HB SER 34 -23.927 -22.463 -22.274 173 HG SER 34 HG SER 34 -25.560 -21.678 -23.871 174 H LYS 35 H LYS 35 -23.325 -21.661 -19.504 175 HA LYS 35 HA LYS 35 -22.669 -24.295 -18.419 176 HB2 LYS 35 2HB LYS 35 -20.274 -23.973 -19.084 177 HB3 LYS 35 3HB LYS 35 -21.369 -24.264 -20.429 178 HG2 LYS 35 2HG LYS 35 -20.300 -22.522 -21.347 179 HG3 LYS 35 3HG LYS 35 -21.401 -21.567 -20.351 180 HD2 LYS 35 2HD LYS 35 -19.744 -20.836 -19.030 181 HD3 LYS 35 3HD LYS 35 -19.000 -22.433 -18.930 182 HE2 LYS 35 2HE LYS 35 -17.431 -21.016 -20.004 183 HE3 LYS 35 3HE LYS 35 -18.121 -22.047 -21.256 184 HZ1 LYS 35 1HZ LYS 35 -18.422 -20.120 -22.325 185 HZ2 LYS 35 2HZ LYS 35 -18.298 -19.184 -20.922 186 HZ3 LYS 35 3HZ LYS 35 -19.766 -19.928 -21.315 187 H LYS 36 H LYS 36 -22.247 -24.119 -16.325 188 HA LYS 36 HA LYS 36 -20.748 -21.850 -15.305 189 HB2 LYS 36 2HB LYS 36 -22.423 -21.396 -13.528 190 HB3 LYS 36 3HB LYS 36 -23.003 -21.005 -15.141 191 HG2 LYS 36 2HG LYS 36 -23.614 -23.685 -13.993 192 HG3 LYS 36 3HG LYS 36 -24.526 -22.277 -13.443 193 HD2 LYS 36 2HD LYS 36 -24.912 -21.778 -15.918 194 HD3 LYS 36 3HD LYS 36 -24.333 -23.419 -16.218 195 HE2 LYS 36 2HE LYS 36 -26.190 -23.698 -14.171 196 HE3 LYS 36 3HE LYS 36 -26.908 -22.507 -15.255 197 HZ1 LYS 36 1HZ LYS 36 -27.603 -24.329 -16.337 198 HZ2 LYS 36 2HZ LYS 36 -26.408 -25.329 -15.680 199 HZ3 LYS 36 3HZ LYS 36 -26.045 -24.331 -16.997 200 HA PRO 37 HA PRO 37 -19.910 -26.005 -13.327 201 HB2 PRO 37 2HB PRO 37 -17.246 -26.010 -13.848 202 HB3 PRO 37 3HB PRO 37 -18.447 -26.645 -14.978 203 HG2 PRO 37 2HG PRO 37 -17.072 -23.986 -14.971 204 HG3 PRO 37 3HG PRO 37 -17.406 -25.068 -16.335 205 HD2 PRO 37 2HD PRO 37 -18.922 -22.889 -15.799 206 HD3 PRO 37 3HD PRO 37 -19.594 -24.367 -16.518 207 H VAL 38 H VAL 38 -17.961 -23.031 -13.306 208 HA VAL 38 HA VAL 38 -17.608 -23.381 -10.399 209 HB VAL 38 HB VAL 38 -15.507 -23.524 -11.831 210 HG11 VAL 38 1HG1 VAL 38 -15.900 -20.541 -12.028 211 HG12 VAL 38 2HG1 VAL 38 -14.551 -21.485 -12.664 212 HG13 VAL 38 3HG1 VAL 38 -16.163 -21.671 -13.356 213 HG21 VAL 38 1HG2 VAL 38 -15.414 -21.277 -9.841 214 HG22 VAL 38 2HG2 VAL 38 -15.686 -22.948 -9.347 215 HG23 VAL 38 3HG2 VAL 38 -14.193 -22.505 -10.175 216 HA PRO 39 HA PRO 39 -19.963 -19.635 -10.102 217 HB2 PRO 39 2HB PRO 39 -19.582 -19.230 -7.445 218 HB3 PRO 39 3HB PRO 39 -20.694 -20.448 -8.081 219 HG2 PRO 39 2HG PRO 39 -17.900 -20.783 -7.057 220 HG3 PRO 39 3HG PRO 39 -19.328 -21.794 -6.765 221 HD2 PRO 39 2HD PRO 39 -17.418 -22.457 -8.566 222 HD3 PRO 39 3HD PRO 39 -19.127 -22.882 -8.786 223 H ILE 40 H ILE 40 -16.621 -19.978 -9.178 224 HA ILE 40 HA ILE 40 -16.296 -17.055 -9.161 225 HB ILE 40 HB ILE 40 -14.405 -17.270 -7.844 226 HG12 ILE 40 2HG1 ILE 40 -14.147 -19.893 -9.192 227 HG13 ILE 40 3HG1 ILE 40 -12.910 -18.710 -8.781 228 HG21 ILE 40 1HG2 ILE 40 -16.510 -18.033 -6.709 229 HG22 ILE 40 2HG2 ILE 40 -15.967 -19.690 -6.971 230 HG23 ILE 40 3HG2 ILE 40 -15.013 -18.598 -5.967 231 HD11 ILE 40 1HD1 ILE 40 -14.154 -20.767 -6.982 232 HD12 ILE 40 2HD1 ILE 40 -12.476 -20.659 -7.516 233 HD13 ILE 40 3HD1 ILE 40 -13.126 -19.457 -6.402 234 H ILE 41 H ILE 41 -15.051 -16.043 -10.643 235 HA ILE 41 HA ILE 41 -13.435 -17.667 -12.475 236 HB ILE 41 HB ILE 41 -14.470 -17.024 -14.377 237 HG12 ILE 41 2HG1 ILE 41 -15.874 -14.592 -13.550 238 HG13 ILE 41 3HG1 ILE 41 -14.130 -14.490 -13.336 239 HG21 ILE 41 1HG2 ILE 41 -16.749 -16.415 -12.502 240 HG22 ILE 41 2HG2 ILE 41 -16.858 -16.980 -14.169 241 HG23 ILE 41 3HG2 ILE 41 -16.210 -18.042 -12.918 242 HD11 ILE 41 1HD1 ILE 41 -15.222 -15.486 -15.919 243 HD12 ILE 41 2HD1 ILE 41 -15.235 -13.756 -15.573 244 HD13 ILE 41 3HD1 ILE 41 -13.710 -14.643 -15.582 245 H TYR 42 H TYR 42 -12.168 -16.113 -13.994 246 HA TYR 42 HA TYR 42 -11.362 -13.683 -12.565 247 HB2 TYR 42 2HB TYR 42 -8.942 -14.357 -13.206 248 HB3 TYR 42 3HB TYR 42 -9.681 -15.107 -11.796 249 HD1 TYR 42 HD1 TYR 42 -10.729 -16.119 -15.142 250 HD2 TYR 42 HD2 TYR 42 -8.104 -16.976 -11.905 251 HE1 TYR 42 HE1 TYR 42 -10.286 -18.341 -16.098 252 HE2 TYR 42 HE2 TYR 42 -7.653 -19.200 -12.853 253 HH TYR 42 HH TYR 42 -8.549 -20.778 -14.353 254 H CYS 43 H CYS 43 -12.708 -12.843 -14.367 255 HA CYS 43 HA CYS 43 -11.155 -12.670 -16.866 256 HB2 CYS 43 2HB CYS 43 -13.266 -13.761 -17.285 257 HB3 CYS 43 3HB CYS 43 -14.141 -12.494 -16.431 258 H ASN 44 H ASN 44 -10.019 -10.830 -16.737 259 HA ASN 44 HA ASN 44 -11.266 -8.437 -15.613 260 HB2 ASN 44 2HB ASN 44 -9.124 -8.657 -14.721 261 HB3 ASN 44 3HB ASN 44 -8.443 -9.232 -16.240 262 HD21 ASN 44 1HD2 ASN 44 -8.362 -7.639 -18.015 263 HD22 ASN 44 2HD2 ASN 44 -8.011 -5.996 -17.614 264 H ALA 45 H ALA 45 -10.718 -6.339 -16.780 265 HA ALA 45 HA ALA 45 -12.051 -6.052 -19.105 266 HB1 ALA 45 1HB ALA 45 -10.137 -4.182 -19.509 267 HB2 ALA 45 2HB ALA 45 -11.487 -3.996 -18.390 268 HB3 ALA 45 3HB ALA 45 -9.913 -4.520 -17.793 269 H ALA 46 H ALA 46 -10.991 -5.278 -21.274 270 HA ALA 46 HA ALA 46 -10.116 -7.433 -22.695 271 HB1 ALA 46 1HB ALA 46 -9.478 -4.530 -23.195 272 HB2 ALA 46 2HB ALA 46 -9.249 -5.825 -24.371 273 HB3 ALA 46 3HB ALA 46 -10.869 -5.432 -23.796 274 H THR 47 H THR 47 -8.545 -8.663 -21.699 275 HA THR 47 HA THR 47 -5.830 -7.556 -21.832 276 HB THR 47 HB THR 47 -6.431 -7.439 -19.482 277 HG1 THR 47 HG1 THR 47 -4.804 -9.042 -18.720 278 HG21 THR 47 1HG2 THR 47 -6.769 -10.409 -19.357 279 HG22 THR 47 2HG2 THR 47 -8.141 -9.387 -19.786 280 HG23 THR 47 3HG2 THR 47 -7.330 -9.170 -18.235 281 H GLY 48 H GLY 48 -4.402 -9.728 -20.996 282 HA2 GLY 48 2HA GLY 48 -4.881 -11.583 -23.202 283 HA3 GLY 48 3HA GLY 48 -3.408 -11.455 -22.253 284 H LYS 49 H LYS 49 -6.506 -11.623 -20.688 285 HA LYS 49 HA LYS 49 -6.569 -14.452 -20.365 286 HB2 LYS 49 2HB LYS 49 -5.337 -14.761 -18.529 287 HB3 LYS 49 3HB LYS 49 -4.791 -13.095 -18.669 288 HG2 LYS 49 2HG LYS 49 -7.394 -13.621 -17.335 289 HG3 LYS 49 3HG LYS 49 -5.905 -13.998 -16.467 290 HD2 LYS 49 2HD LYS 49 -5.128 -11.679 -16.905 291 HD3 LYS 49 3HD LYS 49 -6.698 -11.329 -17.630 292 HE2 LYS 49 2HE LYS 49 -7.647 -11.042 -15.634 293 HE3 LYS 49 3HE LYS 49 -6.976 -12.554 -15.024 294 HZ1 LYS 49 1HZ LYS 49 -6.294 -10.254 -14.005 295 HZ2 LYS 49 2HZ LYS 49 -5.185 -10.252 -15.282 296 HZ3 LYS 49 3HZ LYS 49 -5.169 -11.509 -14.150 297 H CYS 50 H CYS 50 -8.584 -15.059 -19.851 298 HA CYS 50 HA CYS 50 -10.282 -13.664 -18.070 299 HB2 CYS 50 2HB CYS 50 -10.639 -12.002 -19.687 300 HB3 CYS 50 3HB CYS 50 -10.635 -13.161 -21.013 301 H GLN 51 H GLN 51 -11.431 -15.245 -17.200 302 HA GLN 51 HA GLN 51 -13.236 -16.885 -18.438 303 HB2 GLN 51 2HB GLN 51 -11.840 -19.099 -18.255 304 HB3 GLN 51 3HB GLN 51 -11.755 -18.112 -19.707 305 HG2 GLN 51 2HG GLN 51 -9.600 -17.602 -19.390 306 HG3 GLN 51 3HG GLN 51 -9.795 -17.412 -17.649 307 HE21 GLN 51 1HE2 GLN 51 -10.752 -19.885 -16.949 308 HE22 GLN 51 2HE2 GLN 51 -9.538 -21.079 -17.238 309 H ARG 52 H ARG 52 -12.591 -19.362 -16.992 310 HA ARG 52 HA ARG 52 -12.647 -18.467 -14.203 311 HB2 ARG 52 2HB ARG 52 -14.659 -19.506 -13.680 312 HB3 ARG 52 3HB ARG 52 -14.993 -18.810 -15.260 313 HG2 ARG 52 2HG ARG 52 -14.354 -21.681 -14.629 314 HG3 ARG 52 3HG ARG 52 -15.885 -21.020 -15.207 315 HD2 ARG 52 2HD ARG 52 -13.288 -21.304 -16.690 316 HD3 ARG 52 3HD ARG 52 -14.860 -21.993 -17.092 317 HE ARG 52 HE ARG 52 -14.647 -19.089 -17.097 318 HH11 ARG 52 1HH1 ARG 52 -14.724 -22.061 -18.910 319 HH12 ARG 52 2HH1 ARG 52 -15.116 -21.288 -20.410 320 HH21 ARG 52 1HH2 ARG 52 -15.163 -18.060 -19.066 321 HH22 ARG 52 2HH2 ARG 52 -15.365 -19.012 -20.498 322 H MET 53 H MET 53 -12.719 -20.517 -12.730 323 HA MET 53 HA MET 53 -10.484 -22.165 -13.559 324 HB2 MET 53 2HB MET 53 -11.764 -21.422 -11.025 325 HB3 MET 53 3HB MET 53 -11.236 -23.098 -11.089 326 HG2 MET 53 2HG MET 53 -9.485 -20.724 -11.678 327 HG3 MET 53 3HG MET 53 -9.557 -21.569 -10.133 328 HE1 MET 53 1HE MET 53 -9.025 -24.947 -10.820 329 HE2 MET 53 2HE MET 53 -7.473 -24.362 -10.221 330 HE3 MET 53 3HE MET 53 -8.974 -23.658 -9.617 Start of MODEL 12 1 H1 GLY 1 H GLY 1 5.518 2.354 -1.531 2 HA2 GLY 1 2HA GLY 1 4.230 0.049 -2.158 3 HA3 GLY 1 3HA GLY 1 5.231 0.915 -3.315 4 H SER 2 H SER 2 4.676 -2.039 -2.535 5 HA SER 2 HA SER 2 7.464 -2.892 -2.188 6 HB2 SER 2 2HB SER 2 4.828 -4.288 -1.756 7 HB3 SER 2 3HB SER 2 6.345 -5.183 -1.844 8 HG SER 2 HG SER 2 7.090 -3.755 -0.131 9 H LYS 3 H LYS 3 4.714 -4.410 -3.848 10 HA LYS 3 HA LYS 3 6.204 -4.363 -6.364 11 HB2 LYS 3 2HB LYS 3 5.681 -6.790 -6.716 12 HB3 LYS 3 3HB LYS 3 6.865 -6.475 -5.454 13 HG2 LYS 3 2HG LYS 3 5.618 -7.913 -4.273 14 HG3 LYS 3 3HG LYS 3 4.593 -6.503 -3.997 15 HD2 LYS 3 2HD LYS 3 2.921 -7.344 -5.230 16 HD3 LYS 3 3HD LYS 3 4.016 -7.884 -6.505 17 HE2 LYS 3 2HE LYS 3 3.995 -9.363 -3.922 18 HE3 LYS 3 3HE LYS 3 2.650 -9.601 -5.037 19 HZ1 LYS 3 1HZ LYS 3 4.628 -9.899 -6.725 20 HZ2 LYS 3 2HZ LYS 3 4.062 -11.190 -5.790 21 HZ3 LYS 3 3HZ LYS 3 5.459 -10.357 -5.324 22 H LYS 4 H LYS 4 4.910 -3.718 -7.945 23 HA LYS 4 HA LYS 4 2.128 -4.584 -8.008 24 HB2 LYS 4 2HB LYS 4 2.754 -1.661 -8.361 25 HB3 LYS 4 3HB LYS 4 1.185 -2.423 -8.140 26 HG2 LYS 4 2HG LYS 4 1.519 -1.508 -6.073 27 HG3 LYS 4 3HG LYS 4 2.183 -3.125 -5.828 28 HD2 LYS 4 2HD LYS 4 3.991 -2.041 -5.056 29 HD3 LYS 4 3HD LYS 4 4.358 -1.766 -6.761 30 HE2 LYS 4 2HE LYS 4 2.536 0.236 -6.020 31 HE3 LYS 4 3HE LYS 4 3.703 0.131 -4.703 32 HZ1 LYS 4 1HZ LYS 4 5.487 0.396 -6.305 33 HZ2 LYS 4 2HZ LYS 4 4.413 1.699 -6.399 34 HZ3 LYS 4 3HZ LYS 4 4.373 0.483 -7.575 35 HA PRO 5 HA PRO 5 4.358 -4.469 -12.117 36 HB2 PRO 5 2HB PRO 5 3.882 -7.067 -12.742 37 HB3 PRO 5 3HB PRO 5 5.293 -6.545 -11.814 38 HG2 PRO 5 2HG PRO 5 2.712 -7.711 -10.843 39 HG3 PRO 5 3HG PRO 5 4.369 -8.072 -10.323 40 HD2 PRO 5 2HD PRO 5 2.723 -6.444 -8.919 41 HD3 PRO 5 3HD PRO 5 4.482 -6.211 -8.967 42 H VAL 6 H VAL 6 1.419 -6.335 -11.325 43 HA VAL 6 HA VAL 6 0.154 -5.197 -13.733 44 HB VAL 6 HB VAL 6 0.436 -7.693 -13.704 45 HG11 VAL 6 1HG1 VAL 6 -1.716 -7.643 -11.598 46 HG12 VAL 6 2HG1 VAL 6 -0.876 -9.049 -12.255 47 HG13 VAL 6 3HG1 VAL 6 -0.009 -7.897 -11.239 48 HG21 VAL 6 1HG2 VAL 6 -2.475 -6.970 -13.679 49 HG22 VAL 6 2HG2 VAL 6 -1.387 -6.351 -14.921 50 HG23 VAL 6 3HG2 VAL 6 -1.620 -8.090 -14.740 51 HA PRO 7 HA PRO 7 -2.488 -3.057 -10.876 52 HB2 PRO 7 2HB PRO 7 -4.190 -2.047 -12.734 53 HB3 PRO 7 3HB PRO 7 -2.573 -1.390 -12.455 54 HG2 PRO 7 2HG PRO 7 -3.511 -3.274 -14.584 55 HG3 PRO 7 3HG PRO 7 -2.426 -1.878 -14.724 56 HD2 PRO 7 2HD PRO 7 -1.515 -4.426 -14.615 57 HD3 PRO 7 3HD PRO 7 -0.604 -3.057 -13.946 58 H ILE 8 H ILE 8 -3.498 -5.485 -13.154 59 HA ILE 8 HA ILE 8 -6.085 -5.766 -11.792 60 HB ILE 8 HB ILE 8 -6.946 -6.793 -13.662 61 HG12 ILE 8 2HG1 ILE 8 -4.190 -7.814 -13.985 62 HG13 ILE 8 3HG1 ILE 8 -5.730 -8.634 -14.214 63 HG21 ILE 8 1HG2 ILE 8 -6.182 -4.454 -14.139 64 HG22 ILE 8 2HG2 ILE 8 -4.774 -5.147 -14.940 65 HG23 ILE 8 3HG2 ILE 8 -6.391 -5.471 -15.564 66 HD11 ILE 8 1HD1 ILE 8 -4.634 -8.535 -16.315 67 HD12 ILE 8 2HD1 ILE 8 -5.973 -7.387 -16.363 68 HD13 ILE 8 3HD1 ILE 8 -4.322 -6.808 -16.139 69 H ILE 9 H ILE 9 -6.655 -7.603 -10.720 70 HA ILE 9 HA ILE 9 -4.770 -9.849 -10.701 71 HB ILE 9 HB ILE 9 -4.278 -9.760 -8.513 72 HG12 ILE 9 2HG1 ILE 9 -6.561 -8.390 -7.335 73 HG13 ILE 9 3HG1 ILE 9 -7.051 -9.797 -8.273 74 HG21 ILE 9 1HG2 ILE 9 -4.124 -7.536 -7.598 75 HG22 ILE 9 2HG2 ILE 9 -3.806 -7.473 -9.331 76 HG23 ILE 9 3HG2 ILE 9 -5.371 -6.957 -8.703 77 HD11 ILE 9 1HD1 ILE 9 -4.811 -10.073 -6.339 78 HD12 ILE 9 2HD1 ILE 9 -6.468 -10.006 -5.737 79 HD13 ILE 9 3HD1 ILE 9 -5.994 -11.264 -6.878 80 H TYR 10 H TYR 10 -5.742 -11.737 -9.422 81 HA TYR 10 HA TYR 10 -8.662 -11.817 -9.619 82 HB2 TYR 10 2HB TYR 10 -8.353 -14.173 -10.642 83 HB3 TYR 10 3HB TYR 10 -8.165 -12.774 -11.693 84 HD1 TYR 10 HD1 TYR 10 -5.511 -13.467 -9.319 85 HD2 TYR 10 HD2 TYR 10 -6.909 -14.219 -13.267 86 HE1 TYR 10 HE1 TYR 10 -3.269 -14.252 -9.957 87 HE2 TYR 10 HE2 TYR 10 -4.671 -15.007 -13.916 88 HH TYR 10 HH TYR 10 -1.919 -14.518 -11.981 89 H CYS 11 H CYS 11 -8.239 -11.647 -7.259 90 HA CYS 11 HA CYS 11 -7.476 -14.233 -6.080 91 HB2 CYS 11 2HB CYS 11 -6.092 -12.474 -5.226 92 HB3 CYS 11 3HB CYS 11 -7.487 -11.443 -4.924 93 H ASN 12 H ASN 12 -9.281 -15.427 -5.907 94 HA ASN 12 HA ASN 12 -11.760 -14.166 -5.005 95 HB2 ASN 12 2HB ASN 12 -12.223 -15.528 -6.845 96 HB3 ASN 12 3HB ASN 12 -11.103 -16.783 -6.321 97 HD21 ASN 12 1HD2 ASN 12 -11.704 -18.022 -4.415 98 HD22 ASN 12 2HD2 ASN 12 -13.377 -18.326 -4.109 99 H ALA 13 H ALA 13 -13.112 -15.580 -3.480 100 HA ALA 13 HA ALA 13 -12.121 -15.613 -0.969 101 HB1 ALA 13 1HB ALA 13 -14.316 -16.078 -0.835 102 HB2 ALA 13 2HB ALA 13 -14.308 -17.046 -2.310 103 HB3 ALA 13 3HB ALA 13 -13.768 -17.754 -0.788 104 H ALA 14 H ALA 14 -11.887 -17.712 0.435 105 HA ALA 14 HA ALA 14 -9.417 -18.814 0.020 106 HB1 ALA 14 1HB ALA 14 -10.515 -18.993 2.149 107 HB2 ALA 14 2HB ALA 14 -11.766 -20.030 1.464 108 HB3 ALA 14 3HB ALA 14 -10.106 -20.613 1.584 109 H THR 15 H THR 15 -9.011 -19.521 -2.050 110 HA THR 15 HA THR 15 -10.259 -22.081 -2.764 111 HB THR 15 HB THR 15 -11.381 -20.450 -4.158 112 HG1 THR 15 HG1 THR 15 -11.156 -22.053 -5.531 113 HG21 THR 15 1HG2 THR 15 -10.343 -18.809 -5.423 114 HG22 THR 15 2HG2 THR 15 -8.790 -19.646 -5.424 115 HG23 THR 15 3HG2 THR 15 -9.350 -18.827 -3.966 116 H GLY 16 H GLY 16 -8.922 -22.599 -5.096 117 HA2 GLY 16 2HA GLY 16 -6.225 -23.058 -4.084 118 HA3 GLY 16 3HA GLY 16 -6.956 -23.827 -5.484 119 H LYS 17 H LYS 17 -7.183 -20.393 -5.157 120 HA LYS 17 HA LYS 17 -4.792 -19.708 -6.523 121 HB2 LYS 17 2HB LYS 17 -5.360 -19.785 -8.686 122 HB3 LYS 17 3HB LYS 17 -6.739 -20.759 -8.193 123 HG2 LYS 17 2HG LYS 17 -6.960 -17.789 -8.125 124 HG3 LYS 17 3HG LYS 17 -7.069 -18.634 -9.670 125 HD2 LYS 17 2HD LYS 17 -8.862 -20.058 -8.697 126 HD3 LYS 17 3HD LYS 17 -8.804 -19.064 -7.239 127 HE2 LYS 17 2HE LYS 17 -10.494 -18.010 -8.352 128 HE3 LYS 17 3HE LYS 17 -9.118 -17.110 -8.989 129 HZ1 LYS 17 1HZ LYS 17 -10.814 -19.096 -10.313 130 HZ2 LYS 17 2HZ LYS 17 -9.192 -19.000 -10.781 131 HZ3 LYS 17 3HZ LYS 17 -10.190 -17.641 -10.910 132 H CYS 18 H CYS 18 -4.368 -17.614 -6.171 133 HA CYS 18 HA CYS 18 -6.313 -15.557 -6.176 134 HB2 CYS 18 2HB CYS 18 -7.120 -16.163 -4.092 135 HB3 CYS 18 3HB CYS 18 -5.558 -16.765 -3.546 136 H GLN 19 H GLN 19 -5.116 -14.045 -7.118 137 HA GLN 19 HA GLN 19 -3.113 -12.612 -5.919 138 HB2 GLN 19 2HB GLN 19 -1.054 -13.402 -6.998 139 HB3 GLN 19 3HB GLN 19 -1.746 -14.634 -5.950 140 HG2 GLN 19 2HG GLN 19 -2.290 -14.593 -8.896 141 HG3 GLN 19 3HG GLN 19 -0.849 -15.357 -8.226 142 HE21 GLN 19 1HE2 GLN 19 -4.254 -15.561 -8.663 143 HE22 GLN 19 2HE2 GLN 19 -4.466 -17.140 -7.997 144 H ARG 20 H ARG 20 -1.427 -12.643 -8.492 145 HA ARG 20 HA ARG 20 -3.348 -11.401 -10.323 146 HB2 ARG 20 2HB ARG 20 -2.220 -9.378 -10.482 147 HB3 ARG 20 3HB ARG 20 -2.112 -9.730 -8.763 148 HG2 ARG 20 2HG ARG 20 0.034 -10.101 -10.838 149 HG3 ARG 20 3HG ARG 20 0.011 -8.940 -9.509 150 HD2 ARG 20 2HD ARG 20 0.364 -11.917 -9.402 151 HD3 ARG 20 3HD ARG 20 1.424 -10.657 -8.772 152 HE ARG 20 HE ARG 20 -1.229 -10.927 -7.585 153 HH11 ARG 20 1HH1 ARG 20 2.210 -11.424 -7.358 154 HH12 ARG 20 2HH1 ARG 20 2.193 -11.672 -5.644 155 HH21 ARG 20 1HH2 ARG 20 -1.264 -11.251 -5.327 156 HH22 ARG 20 2HH2 ARG 20 0.216 -11.574 -4.490 157 H MET 21 H MET 21 -2.049 -10.716 -12.410 158 HA MET 21 HA MET 21 -0.599 -13.117 -13.240 159 HB2 MET 21 2HB MET 21 -2.008 -10.927 -14.751 160 HB3 MET 21 3HB MET 21 -0.938 -12.065 -15.559 161 HG2 MET 21 2HG MET 21 -3.215 -13.007 -13.859 162 HG3 MET 21 3HG MET 21 -3.449 -12.549 -15.544 163 HE1 MET 21 1HE MET 21 -1.615 -13.134 -17.165 164 HE2 MET 21 2HE MET 21 -0.390 -14.374 -16.896 165 HE3 MET 21 3HE MET 21 -1.908 -14.791 -17.695 166 H1 GLY 33 H GLY 33 -26.233 -18.969 -17.432 167 HA2 GLY 33 2HA GLY 33 -28.076 -20.337 -17.375 168 HA3 GLY 33 3HA GLY 33 -28.664 -19.465 -18.783 169 H SER 34 H SER 34 -25.574 -20.950 -19.040 170 HA SER 34 HA SER 34 -26.738 -23.274 -20.411 171 HB2 SER 34 2HB SER 34 -25.146 -23.025 -22.251 172 HB3 SER 34 3HB SER 34 -26.142 -21.577 -22.106 173 HG SER 34 HG SER 34 -24.449 -20.456 -21.410 174 H LYS 35 H LYS 35 -23.785 -21.796 -19.113 175 HA LYS 35 HA LYS 35 -23.029 -24.398 -18.014 176 HB2 LYS 35 2HB LYS 35 -20.674 -24.056 -18.751 177 HB3 LYS 35 3HB LYS 35 -21.794 -24.327 -20.080 178 HG2 LYS 35 2HG LYS 35 -21.756 -21.575 -19.788 179 HG3 LYS 35 3HG LYS 35 -20.079 -22.063 -19.533 180 HD2 LYS 35 2HD LYS 35 -21.734 -23.003 -21.867 181 HD3 LYS 35 3HD LYS 35 -20.724 -21.557 -21.920 182 HE2 LYS 35 2HE LYS 35 -18.753 -22.883 -21.440 183 HE3 LYS 35 3HE LYS 35 -19.740 -24.334 -21.272 184 HZ1 LYS 35 1HZ LYS 35 -20.408 -23.416 -23.729 185 HZ2 LYS 35 2HZ LYS 35 -19.288 -24.645 -23.418 186 HZ3 LYS 35 3HZ LYS 35 -18.756 -23.056 -23.649 187 H LYS 36 H LYS 36 -22.571 -24.179 -15.932 188 HA LYS 36 HA LYS 36 -21.102 -21.862 -14.978 189 HB2 LYS 36 2HB LYS 36 -22.749 -21.420 -13.170 190 HB3 LYS 36 3HB LYS 36 -23.371 -21.064 -14.776 191 HG2 LYS 36 2HG LYS 36 -23.898 -23.739 -13.574 192 HG3 LYS 36 3HG LYS 36 -24.832 -22.343 -13.033 193 HD2 LYS 36 2HD LYS 36 -25.251 -21.902 -15.525 194 HD3 LYS 36 3HD LYS 36 -24.676 -23.551 -15.778 195 HE2 LYS 36 2HE LYS 36 -26.405 -24.226 -14.018 196 HE3 LYS 36 3HE LYS 36 -27.087 -22.617 -14.248 197 HZ1 LYS 36 1HZ LYS 36 -26.726 -23.662 -16.777 198 HZ2 LYS 36 2HZ LYS 36 -28.193 -23.443 -15.963 199 HZ3 LYS 36 3HZ LYS 36 -27.383 -24.925 -15.863 200 HA PRO 37 HA PRO 37 -20.128 -25.968 -12.959 201 HB2 PRO 37 2HB PRO 37 -17.476 -25.921 -13.539 202 HB3 PRO 37 3HB PRO 37 -18.687 -26.599 -14.634 203 HG2 PRO 37 2HG PRO 37 -17.372 -23.910 -14.695 204 HG3 PRO 37 3HG PRO 37 -17.712 -25.020 -16.035 205 HD2 PRO 37 2HD PRO 37 -19.264 -22.868 -15.497 206 HD3 PRO 37 3HD PRO 37 -19.919 -24.370 -16.180 207 H VAL 38 H VAL 38 -18.060 -23.061 -13.057 208 HA VAL 38 HA VAL 38 -17.743 -23.298 -10.134 209 HB VAL 38 HB VAL 38 -15.648 -23.553 -11.537 210 HG11 VAL 38 1HG1 VAL 38 -16.272 -21.783 -13.176 211 HG12 VAL 38 2HG1 VAL 38 -15.961 -20.580 -11.923 212 HG13 VAL 38 3HG1 VAL 38 -14.650 -21.604 -12.508 213 HG21 VAL 38 1HG2 VAL 38 -15.814 -22.811 -9.096 214 HG22 VAL 38 2HG2 VAL 38 -14.309 -22.464 -9.949 215 HG23 VAL 38 3HG2 VAL 38 -15.496 -21.184 -9.698 216 HA PRO 39 HA PRO 39 -20.003 -19.485 -9.963 217 HB2 PRO 39 2HB PRO 39 -19.617 -19.008 -7.318 218 HB3 PRO 39 3HB PRO 39 -20.760 -20.215 -7.920 219 HG2 PRO 39 2HG PRO 39 -17.979 -20.594 -6.878 220 HG3 PRO 39 3HG PRO 39 -19.435 -21.556 -6.559 221 HD2 PRO 39 2HD PRO 39 -17.539 -22.326 -8.332 222 HD3 PRO 39 3HD PRO 39 -19.259 -22.711 -8.545 223 H ILE 40 H ILE 40 -16.675 -19.887 -9.000 224 HA ILE 40 HA ILE 40 -16.270 -16.976 -9.066 225 HB ILE 40 HB ILE 40 -14.401 -17.207 -7.734 226 HG12 ILE 40 2HG1 ILE 40 -14.163 -19.848 -9.058 227 HG13 ILE 40 3HG1 ILE 40 -12.920 -18.658 -8.687 228 HG21 ILE 40 1HG2 ILE 40 -15.991 -19.610 -6.860 229 HG22 ILE 40 2HG2 ILE 40 -15.004 -18.549 -5.856 230 HG23 ILE 40 3HG2 ILE 40 -16.494 -17.943 -6.579 231 HD11 ILE 40 1HD1 ILE 40 -12.464 -20.582 -7.392 232 HD12 ILE 40 2HD1 ILE 40 -13.110 -19.366 -6.289 233 HD13 ILE 40 3HD1 ILE 40 -14.136 -20.690 -6.841 234 H ILE 41 H ILE 41 -14.996 -16.030 -10.568 235 HA ILE 41 HA ILE 41 -13.439 -17.736 -12.375 236 HB ILE 41 HB ILE 41 -14.453 -17.086 -14.291 237 HG12 ILE 41 2HG1 ILE 41 -15.815 -14.625 -13.461 238 HG13 ILE 41 3HG1 ILE 41 -14.064 -14.552 -13.290 239 HG21 ILE 41 1HG2 ILE 41 -16.198 -18.020 -12.702 240 HG22 ILE 41 2HG2 ILE 41 -16.766 -16.362 -12.515 241 HG23 ILE 41 3HG2 ILE 41 -16.800 -17.132 -14.101 242 HD11 ILE 41 1HD1 ILE 41 -15.257 -13.844 -15.516 243 HD12 ILE 41 2HD1 ILE 41 -13.704 -14.681 -15.536 244 HD13 ILE 41 3HD1 ILE 41 -15.193 -15.577 -15.837 245 H TYR 42 H TYR 42 -12.145 -16.241 -13.938 246 HA TYR 42 HA TYR 42 -11.242 -13.826 -12.535 247 HB2 TYR 42 2HB TYR 42 -8.863 -14.562 -13.238 248 HB3 TYR 42 3HB TYR 42 -9.586 -15.314 -11.821 249 HD1 TYR 42 HD1 TYR 42 -10.737 -16.246 -15.158 250 HD2 TYR 42 HD2 TYR 42 -8.068 -17.223 -11.991 251 HE1 TYR 42 HE1 TYR 42 -10.375 -18.465 -16.155 252 HE2 TYR 42 HE2 TYR 42 -7.698 -19.444 -12.981 253 HH TYR 42 HH TYR 42 -8.021 -20.724 -14.805 254 H CYS 43 H CYS 43 -12.609 -12.933 -14.290 255 HA CYS 43 HA CYS 43 -11.125 -12.795 -16.834 256 HB2 CYS 43 2HB CYS 43 -13.267 -13.821 -17.217 257 HB3 CYS 43 3HB CYS 43 -14.091 -12.561 -16.306 258 H ASN 44 H ASN 44 -9.936 -10.987 -16.728 259 HA ASN 44 HA ASN 44 -11.062 -8.573 -15.535 260 HB2 ASN 44 2HB ASN 44 -8.881 -8.836 -14.775 261 HB3 ASN 44 3HB ASN 44 -8.305 -9.442 -16.325 262 HD21 ASN 44 1HD2 ASN 44 -8.157 -7.901 -18.089 263 HD22 ASN 44 2HD2 ASN 44 -7.780 -6.252 -17.733 264 H ALA 45 H ALA 45 -10.532 -6.477 -16.715 265 HA ALA 45 HA ALA 45 -11.994 -6.139 -18.957 266 HB1 ALA 45 1HB ALA 45 -11.103 -4.037 -19.144 267 HB2 ALA 45 2HB ALA 45 -10.622 -4.441 -17.496 268 HB3 ALA 45 3HB ALA 45 -9.459 -4.584 -18.813 269 H ALA 46 H ALA 46 -10.972 -5.304 -21.157 270 HA ALA 46 HA ALA 46 -10.279 -7.445 -22.689 271 HB1 ALA 46 1HB ALA 46 -10.935 -5.367 -23.694 272 HB2 ALA 46 2HB ALA 46 -9.481 -4.567 -23.094 273 HB3 ALA 46 3HB ALA 46 -9.352 -5.822 -24.326 274 H THR 47 H THR 47 -8.759 -8.817 -21.815 275 HA THR 47 HA THR 47 -5.984 -7.858 -21.948 276 HB THR 47 HB THR 47 -6.477 -7.911 -19.592 277 HG1 THR 47 HG1 THR 47 -4.472 -8.691 -19.773 278 HG21 THR 47 1HG2 THR 47 -7.607 -10.630 -20.197 279 HG22 THR 47 2HG2 THR 47 -8.380 -9.270 -19.381 280 HG23 THR 47 3HG2 THR 47 -7.104 -10.177 -18.569 281 H GLY 48 H GLY 48 -4.671 -10.177 -21.334 282 HA2 GLY 48 2HA GLY 48 -5.275 -11.786 -23.694 283 HA3 GLY 48 3HA GLY 48 -3.796 -11.842 -22.747 284 H LYS 49 H LYS 49 -6.323 -11.865 -20.620 285 HA LYS 49 HA LYS 49 -6.829 -14.729 -20.753 286 HB2 LYS 49 2HB LYS 49 -5.846 -15.324 -18.760 287 HB3 LYS 49 3HB LYS 49 -4.707 -14.108 -19.323 288 HG2 LYS 49 2HG LYS 49 -6.964 -13.530 -17.420 289 HG3 LYS 49 3HG LYS 49 -5.322 -13.935 -16.914 290 HD2 LYS 49 2HD LYS 49 -5.948 -11.649 -18.771 291 HD3 LYS 49 3HD LYS 49 -5.880 -11.469 -17.016 292 HE2 LYS 49 2HE LYS 49 -3.544 -12.766 -17.514 293 HE3 LYS 49 3HE LYS 49 -3.714 -11.794 -18.975 294 HZ1 LYS 49 1HZ LYS 49 -2.509 -10.775 -16.987 295 HZ2 LYS 49 2HZ LYS 49 -4.043 -10.590 -16.299 296 HZ3 LYS 49 3HZ LYS 49 -3.676 -9.829 -17.765 297 H CYS 50 H CYS 50 -8.828 -15.240 -20.075 298 HA CYS 50 HA CYS 50 -10.245 -13.819 -18.067 299 HB2 CYS 50 2HB CYS 50 -10.752 -12.080 -19.497 300 HB3 CYS 50 3HB CYS 50 -10.727 -13.108 -20.927 301 H GLN 51 H GLN 51 -11.438 -15.335 -17.140 302 HA GLN 51 HA GLN 51 -13.426 -16.837 -18.292 303 HB2 GLN 51 2HB GLN 51 -12.136 -19.134 -18.157 304 HB3 GLN 51 3HB GLN 51 -12.119 -18.170 -19.627 305 HG2 GLN 51 2HG GLN 51 -9.926 -17.734 -19.474 306 HG3 GLN 51 3HG GLN 51 -9.977 -17.553 -17.721 307 HE21 GLN 51 1HE2 GLN 51 -10.987 -19.990 -16.967 308 HE22 GLN 51 2HE2 GLN 51 -9.851 -21.231 -17.356 309 H ARG 52 H ARG 52 -12.859 -19.357 -16.882 310 HA ARG 52 HA ARG 52 -12.885 -18.409 -14.096 311 HB2 ARG 52 2HB ARG 52 -14.800 -19.604 -13.563 312 HB3 ARG 52 3HB ARG 52 -15.177 -19.006 -15.174 313 HG2 ARG 52 2HG ARG 52 -14.268 -21.775 -14.426 314 HG3 ARG 52 3HG ARG 52 -15.854 -21.290 -15.031 315 HD2 ARG 52 2HD ARG 52 -13.235 -21.395 -16.496 316 HD3 ARG 52 3HD ARG 52 -14.747 -22.216 -16.884 317 HE ARG 52 HE ARG 52 -14.753 -19.305 -16.980 318 HH11 ARG 52 1HH1 ARG 52 -14.609 -22.331 -18.695 319 HH12 ARG 52 2HH1 ARG 52 -15.055 -21.639 -20.219 320 HH21 ARG 52 1HH2 ARG 52 -15.340 -18.381 -18.981 321 HH22 ARG 52 2HH2 ARG 52 -15.469 -19.391 -20.381 322 H MET 53 H MET 53 -12.794 -20.435 -12.579 323 HA MET 53 HA MET 53 -10.318 -21.726 -13.113 324 HB2 MET 53 2HB MET 53 -12.199 -21.526 -10.891 325 HB3 MET 53 3HB MET 53 -11.467 -23.120 -11.016 326 HG2 MET 53 2HG MET 53 -9.616 -20.848 -11.256 327 HG3 MET 53 3HG MET 53 -10.381 -21.054 -9.682 328 HE1 MET 53 1HE MET 53 -7.362 -23.684 -11.798 329 HE2 MET 53 2HE MET 53 -9.015 -24.142 -12.206 330 HE3 MET 53 3HE MET 53 -8.457 -22.495 -12.504 Start of MODEL 13 1 H1 GLY 1 H GLY 1 3.670 -0.523 -1.063 2 HA2 GLY 1 2HA GLY 1 5.651 1.224 -2.387 3 HA3 GLY 1 3HA GLY 1 5.546 1.099 -0.637 4 H SER 2 H SER 2 5.024 -1.740 -2.539 5 HA SER 2 HA SER 2 7.733 -2.681 -1.859 6 HB2 SER 2 2HB SER 2 6.312 -4.992 -1.894 7 HB3 SER 2 3HB SER 2 6.622 -4.057 -0.431 8 HG SER 2 HG SER 2 4.542 -3.878 -0.293 9 H LYS 3 H LYS 3 5.033 -4.097 -3.684 10 HA LYS 3 HA LYS 3 6.590 -3.907 -6.150 11 HB2 LYS 3 2HB LYS 3 6.563 -6.201 -6.631 12 HB3 LYS 3 3HB LYS 3 7.016 -6.129 -4.933 13 HG2 LYS 3 2HG LYS 3 4.245 -6.687 -5.972 14 HG3 LYS 3 3HG LYS 3 5.389 -7.900 -5.393 15 HD2 LYS 3 2HD LYS 3 5.375 -6.208 -3.291 16 HD3 LYS 3 3HD LYS 3 3.729 -5.981 -3.888 17 HE2 LYS 3 2HE LYS 3 3.381 -8.411 -3.801 18 HE3 LYS 3 3HE LYS 3 5.016 -8.616 -3.174 19 HZ1 LYS 3 1HZ LYS 3 3.524 -8.658 -1.348 20 HZ2 LYS 3 2HZ LYS 3 2.744 -7.244 -1.850 21 HZ3 LYS 3 3HZ LYS 3 4.335 -7.175 -1.280 22 H LYS 4 H LYS 4 5.360 -3.464 -7.877 23 HA LYS 4 HA LYS 4 2.553 -4.208 -7.929 24 HB2 LYS 4 2HB LYS 4 1.832 -1.887 -8.452 25 HB3 LYS 4 3HB LYS 4 2.424 -2.077 -6.807 26 HG2 LYS 4 2HG LYS 4 4.300 -1.165 -8.935 27 HG3 LYS 4 3HG LYS 4 3.142 -0.026 -8.245 28 HD2 LYS 4 2HD LYS 4 4.531 -1.614 -6.231 29 HD3 LYS 4 3HD LYS 4 5.620 -0.632 -7.213 30 HE2 LYS 4 2HE LYS 4 3.172 0.709 -6.258 31 HE3 LYS 4 3HE LYS 4 4.345 0.273 -5.017 32 HZ1 LYS 4 1HZ LYS 4 5.966 1.364 -6.780 33 HZ2 LYS 4 2HZ LYS 4 5.173 2.280 -5.600 34 HZ3 LYS 4 3HZ LYS 4 4.562 2.221 -7.176 35 HA PRO 5 HA PRO 5 4.847 -4.307 -12.004 36 HB2 PRO 5 2HB PRO 5 4.318 -6.916 -12.538 37 HB3 PRO 5 3HB PRO 5 5.727 -6.392 -11.609 38 HG2 PRO 5 2HG PRO 5 3.106 -7.458 -10.634 39 HG3 PRO 5 3HG PRO 5 4.745 -7.838 -10.075 40 HD2 PRO 5 2HD PRO 5 3.119 -6.118 -8.759 41 HD3 PRO 5 3HD PRO 5 4.884 -5.930 -8.789 42 H VAL 6 H VAL 6 1.828 -5.998 -11.142 43 HA VAL 6 HA VAL 6 0.627 -4.927 -13.613 44 HB VAL 6 HB VAL 6 0.887 -7.444 -13.492 45 HG11 VAL 6 1HG1 VAL 6 0.324 -7.640 -11.090 46 HG12 VAL 6 2HG1 VAL 6 -1.343 -7.208 -11.475 47 HG13 VAL 6 3HG1 VAL 6 -0.645 -8.697 -12.115 48 HG21 VAL 6 1HG2 VAL 6 -0.806 -6.103 -14.871 49 HG22 VAL 6 2HG2 VAL 6 -1.121 -7.822 -14.635 50 HG23 VAL 6 3HG2 VAL 6 -1.995 -6.627 -13.678 51 HA PRO 7 HA PRO 7 -2.038 -2.707 -10.847 52 HB2 PRO 7 2HB PRO 7 -3.738 -1.762 -12.740 53 HB3 PRO 7 3HB PRO 7 -2.122 -1.095 -12.482 54 HG2 PRO 7 2HG PRO 7 -3.056 -3.052 -14.546 55 HG3 PRO 7 3HG PRO 7 -1.972 -1.661 -14.733 56 HD2 PRO 7 2HD PRO 7 -1.060 -4.203 -14.535 57 HD3 PRO 7 3HD PRO 7 -0.151 -2.811 -13.913 58 H ILE 8 H ILE 8 -3.064 -5.192 -13.065 59 HA ILE 8 HA ILE 8 -5.579 -5.500 -11.564 60 HB ILE 8 HB ILE 8 -6.630 -6.330 -13.426 61 HG12 ILE 8 2HG1 ILE 8 -3.969 -7.441 -14.036 62 HG13 ILE 8 3HG1 ILE 8 -5.565 -8.153 -14.251 63 HG21 ILE 8 1HG2 ILE 8 -4.526 -4.687 -14.811 64 HG22 ILE 8 2HG2 ILE 8 -6.224 -4.873 -15.246 65 HG23 ILE 8 3HG2 ILE 8 -5.780 -3.983 -13.790 66 HD11 ILE 8 1HD1 ILE 8 -4.645 -7.931 -16.400 67 HD12 ILE 8 2HD1 ILE 8 -5.826 -6.631 -16.247 68 HD13 ILE 8 3HD1 ILE 8 -4.105 -6.282 -16.085 69 H ILE 9 H ILE 9 -6.161 -7.500 -10.747 70 HA ILE 9 HA ILE 9 -4.215 -9.682 -10.988 71 HB ILE 9 HB ILE 9 -3.778 -9.888 -8.780 72 HG12 ILE 9 2HG1 ILE 9 -6.035 -8.480 -7.555 73 HG13 ILE 9 3HG1 ILE 9 -6.526 -9.850 -8.546 74 HG21 ILE 9 1HG2 ILE 9 -3.231 -7.534 -9.452 75 HG22 ILE 9 2HG2 ILE 9 -4.719 -7.032 -8.653 76 HG23 ILE 9 3HG2 ILE 9 -3.429 -7.787 -7.718 77 HD11 ILE 9 1HD1 ILE 9 -5.523 -11.374 -7.173 78 HD12 ILE 9 2HD1 ILE 9 -4.326 -10.220 -6.582 79 HD13 ILE 9 3HD1 ILE 9 -5.990 -10.139 -6.004 80 H TYR 10 H TYR 10 -5.155 -11.699 -9.804 81 HA TYR 10 HA TYR 10 -8.063 -11.845 -10.146 82 HB2 TYR 10 2HB TYR 10 -7.619 -14.160 -11.219 83 HB3 TYR 10 3HB TYR 10 -7.425 -12.722 -12.215 84 HD1 TYR 10 HD1 TYR 10 -4.909 -13.520 -9.697 85 HD2 TYR 10 HD2 TYR 10 -6.006 -13.955 -13.785 86 HE1 TYR 10 HE1 TYR 10 -2.609 -14.207 -10.235 87 HE2 TYR 10 HE2 TYR 10 -3.710 -14.644 -14.334 88 HH TYR 10 HH TYR 10 -1.729 -15.779 -12.870 89 H CYS 11 H CYS 11 -7.794 -11.744 -7.763 90 HA CYS 11 HA CYS 11 -7.153 -14.399 -6.654 91 HB2 CYS 11 2HB CYS 11 -5.605 -12.762 -5.788 92 HB3 CYS 11 3HB CYS 11 -6.923 -11.671 -5.373 93 H ASN 12 H ASN 12 -9.052 -15.427 -6.476 94 HA ASN 12 HA ASN 12 -11.393 -13.962 -5.507 95 HB2 ASN 12 2HB ASN 12 -12.027 -15.190 -7.381 96 HB3 ASN 12 3HB ASN 12 -11.004 -16.559 -6.955 97 HD21 ASN 12 1HD2 ASN 12 -11.655 -17.808 -5.049 98 HD22 ASN 12 2HD2 ASN 12 -13.342 -18.002 -4.730 99 H ALA 13 H ALA 13 -12.859 -15.280 -4.013 100 HA ALA 13 HA ALA 13 -11.853 -15.519 -1.523 101 HB1 ALA 13 1HB ALA 13 -13.700 -17.510 -1.427 102 HB2 ALA 13 2HB ALA 13 -14.075 -15.787 -1.355 103 HB3 ALA 13 3HB ALA 13 -14.188 -16.652 -2.889 104 H ALA 14 H ALA 14 -11.831 -17.700 -0.212 105 HA ALA 14 HA ALA 14 -9.481 -19.010 -0.663 106 HB1 ALA 14 1HB ALA 14 -10.364 -20.832 0.772 107 HB2 ALA 14 2HB ALA 14 -10.635 -19.219 1.433 108 HB3 ALA 14 3HB ALA 14 -11.961 -20.091 0.664 109 H THR 15 H THR 15 -9.109 -19.607 -2.779 110 HA THR 15 HA THR 15 -10.565 -21.998 -3.669 111 HB THR 15 HB THR 15 -11.504 -20.188 -4.973 112 HG1 THR 15 HG1 THR 15 -10.654 -20.913 -7.108 113 HG21 THR 15 1HG2 THR 15 -8.852 -19.540 -6.183 114 HG22 THR 15 2HG2 THR 15 -9.301 -18.798 -4.647 115 HG23 THR 15 3HG2 THR 15 -10.308 -18.553 -6.073 116 H GLY 16 H GLY 16 -9.235 -22.502 -6.003 117 HA2 GLY 16 2HA GLY 16 -6.600 -23.240 -4.984 118 HA3 GLY 16 3HA GLY 16 -7.381 -23.892 -6.416 119 H LYS 17 H LYS 17 -7.301 -20.463 -5.940 120 HA LYS 17 HA LYS 17 -4.858 -19.966 -7.316 121 HB2 LYS 17 2HB LYS 17 -5.494 -19.693 -9.463 122 HB3 LYS 17 3HB LYS 17 -6.831 -20.745 -9.018 123 HG2 LYS 17 2HG LYS 17 -7.017 -17.763 -8.762 124 HG3 LYS 17 3HG LYS 17 -7.380 -18.600 -10.274 125 HD2 LYS 17 2HD LYS 17 -8.773 -20.028 -8.342 126 HD3 LYS 17 3HD LYS 17 -8.977 -18.340 -7.869 127 HE2 LYS 17 2HE LYS 17 -9.743 -17.812 -10.141 128 HE3 LYS 17 3HE LYS 17 -9.565 -19.509 -10.588 129 HZ1 LYS 17 1HZ LYS 17 -11.482 -18.330 -8.663 130 HZ2 LYS 17 2HZ LYS 17 -11.178 -19.992 -8.741 131 HZ3 LYS 17 3HZ LYS 17 -11.825 -19.187 -10.081 132 H CYS 18 H CYS 18 -4.194 -17.941 -6.901 133 HA CYS 18 HA CYS 18 -5.923 -15.706 -6.666 134 HB2 CYS 18 2HB CYS 18 -6.611 -16.477 -4.557 135 HB3 CYS 18 3HB CYS 18 -5.000 -17.053 -4.142 136 H GLN 19 H GLN 19 -4.712 -14.121 -7.439 137 HA GLN 19 HA GLN 19 -2.425 -13.085 -6.356 138 HB2 GLN 19 2HB GLN 19 -0.782 -13.935 -8.225 139 HB3 GLN 19 3HB GLN 19 -1.018 -14.861 -6.749 140 HG2 GLN 19 2HG GLN 19 -1.985 -16.574 -7.822 141 HG3 GLN 19 3HG GLN 19 -2.864 -15.522 -8.929 142 HE21 GLN 19 1HE2 GLN 19 -0.795 -14.121 -10.071 143 HE22 GLN 19 2HE2 GLN 19 0.183 -15.198 -11.003 144 H ARG 20 H ARG 20 -0.972 -12.619 -8.877 145 HA ARG 20 HA ARG 20 -2.981 -11.116 -10.405 146 HB2 ARG 20 2HB ARG 20 -1.813 -9.109 -10.305 147 HB3 ARG 20 3HB ARG 20 -1.628 -9.736 -8.672 148 HG2 ARG 20 2HG ARG 20 0.404 -9.816 -10.890 149 HG3 ARG 20 3HG ARG 20 0.472 -8.863 -9.406 150 HD2 ARG 20 2HD ARG 20 0.739 -11.835 -9.742 151 HD3 ARG 20 3HD ARG 20 1.887 -10.702 -9.029 152 HE ARG 20 HE ARG 20 -0.677 -11.010 -7.685 153 HH11 ARG 20 1HH1 ARG 20 2.710 -11.799 -7.825 154 HH12 ARG 20 2HH1 ARG 20 2.792 -12.316 -6.174 155 HH21 ARG 20 1HH2 ARG 20 -0.583 -11.688 -5.509 156 HH22 ARG 20 2HH2 ARG 20 0.918 -12.253 -4.857 157 H MET 21 H MET 21 -1.911 -10.193 -12.468 158 HA MET 21 HA MET 21 -0.843 -12.406 -13.917 159 HB2 MET 21 2HB MET 21 -1.883 -9.750 -14.518 160 HB3 MET 21 3HB MET 21 -0.510 -10.176 -15.530 161 HG2 MET 21 2HG MET 21 -2.667 -12.184 -15.193 162 HG3 MET 21 3HG MET 21 -2.989 -10.775 -16.201 163 HE1 MET 21 1HE MET 21 -1.405 -10.776 -19.076 164 HE2 MET 21 2HE MET 21 -1.140 -9.858 -17.594 165 HE3 MET 21 3HE MET 21 0.187 -10.768 -18.317 166 H1 GLY 33 H GLY 33 -26.123 -19.206 -17.795 167 HA2 GLY 33 2HA GLY 33 -28.000 -20.521 -17.534 168 HA3 GLY 33 3HA GLY 33 -28.701 -19.710 -18.927 169 H SER 34 H SER 34 -25.596 -21.214 -19.229 170 HA SER 34 HA SER 34 -26.816 -23.545 -20.541 171 HB2 SER 34 2HB SER 34 -24.374 -22.670 -21.864 172 HB3 SER 34 3HB SER 34 -25.947 -23.061 -22.558 173 HG SER 34 HG SER 34 -26.500 -21.007 -22.502 174 H LYS 35 H LYS 35 -23.829 -22.100 -19.286 175 HA LYS 35 HA LYS 35 -23.114 -24.697 -18.147 176 HB2 LYS 35 2HB LYS 35 -20.756 -24.405 -18.896 177 HB3 LYS 35 3HB LYS 35 -21.885 -24.680 -20.216 178 HG2 LYS 35 2HG LYS 35 -21.766 -21.907 -19.911 179 HG3 LYS 35 3HG LYS 35 -20.101 -22.475 -19.764 180 HD2 LYS 35 2HD LYS 35 -21.960 -23.271 -22.000 181 HD3 LYS 35 3HD LYS 35 -20.818 -21.929 -22.101 182 HE2 LYS 35 2HE LYS 35 -18.983 -23.526 -21.608 183 HE3 LYS 35 3HE LYS 35 -20.158 -24.839 -21.658 184 HZ1 LYS 35 1HZ LYS 35 -19.629 -22.993 -23.921 185 HZ2 LYS 35 2HZ LYS 35 -20.598 -24.379 -23.946 186 HZ3 LYS 35 3HZ LYS 35 -18.923 -24.522 -23.759 187 H LYS 36 H LYS 36 -22.650 -24.453 -16.070 188 HA LYS 36 HA LYS 36 -21.136 -22.149 -15.155 189 HB2 LYS 36 2HB LYS 36 -22.770 -21.650 -13.350 190 HB3 LYS 36 3HB LYS 36 -23.388 -21.305 -14.960 191 HG2 LYS 36 2HG LYS 36 -23.965 -23.951 -13.719 192 HG3 LYS 36 3HG LYS 36 -24.872 -22.529 -13.199 193 HD2 LYS 36 2HD LYS 36 -25.278 -22.120 -15.701 194 HD3 LYS 36 3HD LYS 36 -24.744 -23.788 -15.922 195 HE2 LYS 36 2HE LYS 36 -26.975 -22.953 -14.075 196 HE3 LYS 36 3HE LYS 36 -27.219 -23.507 -15.731 197 HZ1 LYS 36 1HZ LYS 36 -27.319 -25.535 -14.860 198 HZ2 LYS 36 2HZ LYS 36 -26.717 -25.029 -13.363 199 HZ3 LYS 36 3HZ LYS 36 -25.649 -25.432 -14.612 200 HA PRO 37 HA PRO 37 -20.233 -26.239 -13.074 201 HB2 PRO 37 2HB PRO 37 -17.582 -26.250 -13.659 202 HB3 PRO 37 3HB PRO 37 -18.807 -26.923 -14.741 203 HG2 PRO 37 2HG PRO 37 -17.444 -24.260 -14.846 204 HG3 PRO 37 3HG PRO 37 -17.806 -25.384 -16.168 205 HD2 PRO 37 2HD PRO 37 -19.318 -23.196 -15.662 206 HD3 PRO 37 3HD PRO 37 -20.001 -24.697 -16.320 207 H VAL 38 H VAL 38 -18.382 -23.213 -13.171 208 HA VAL 38 HA VAL 38 -17.858 -23.526 -10.286 209 HB VAL 38 HB VAL 38 -15.835 -23.531 -11.814 210 HG11 VAL 38 1HG1 VAL 38 -16.676 -21.791 -13.357 211 HG12 VAL 38 2HG1 VAL 38 -16.490 -20.598 -12.070 212 HG13 VAL 38 3HG1 VAL 38 -15.074 -21.426 -12.717 213 HG21 VAL 38 1HG2 VAL 38 -15.947 -22.881 -9.332 214 HG22 VAL 38 2HG2 VAL 38 -14.514 -22.411 -10.247 215 HG23 VAL 38 3HG2 VAL 38 -15.769 -21.221 -9.902 216 HA PRO 39 HA PRO 39 -20.457 -19.956 -9.851 217 HB2 PRO 39 2HB PRO 39 -19.987 -19.549 -7.209 218 HB3 PRO 39 3HB PRO 39 -21.042 -20.833 -7.810 219 HG2 PRO 39 2HG PRO 39 -18.190 -20.989 -6.912 220 HG3 PRO 39 3HG PRO 39 -19.533 -22.095 -6.569 221 HD2 PRO 39 2HD PRO 39 -17.665 -22.614 -8.459 222 HD3 PRO 39 3HD PRO 39 -19.350 -23.151 -8.610 223 H ILE 40 H ILE 40 -17.060 -20.084 -9.106 224 HA ILE 40 HA ILE 40 -16.937 -17.141 -9.140 225 HB ILE 40 HB ILE 40 -15.113 -17.159 -7.749 226 HG12 ILE 40 2HG1 ILE 40 -14.481 -19.676 -9.142 227 HG13 ILE 40 3HG1 ILE 40 -13.410 -18.389 -8.600 228 HG21 ILE 40 1HG2 ILE 40 -16.352 -19.765 -6.899 229 HG22 ILE 40 2HG2 ILE 40 -15.586 -18.545 -5.884 230 HG23 ILE 40 3HG2 ILE 40 -17.131 -18.201 -6.662 231 HD11 ILE 40 1HD1 ILE 40 -12.811 -20.318 -7.394 232 HD12 ILE 40 2HD1 ILE 40 -13.708 -19.297 -6.269 233 HD13 ILE 40 3HD1 ILE 40 -14.491 -20.692 -7.010 234 H ILE 41 H ILE 41 -15.483 -16.100 -10.486 235 HA ILE 41 HA ILE 41 -13.949 -17.753 -12.361 236 HB ILE 41 HB ILE 41 -14.913 -16.973 -14.250 237 HG12 ILE 41 2HG1 ILE 41 -16.179 -14.495 -13.339 238 HG13 ILE 41 3HG1 ILE 41 -14.434 -14.507 -13.108 239 HG21 ILE 41 1HG2 ILE 41 -16.725 -17.900 -12.738 240 HG22 ILE 41 2HG2 ILE 41 -17.216 -16.228 -12.469 241 HG23 ILE 41 3HG2 ILE 41 -17.264 -16.911 -14.094 242 HD11 ILE 41 1HD1 ILE 41 -14.003 -14.576 -15.351 243 HD12 ILE 41 2HD1 ILE 41 -15.545 -15.341 -15.737 244 HD13 ILE 41 3HD1 ILE 41 -15.489 -13.627 -15.325 245 H TYR 42 H TYR 42 -12.572 -16.219 -13.810 246 HA TYR 42 HA TYR 42 -11.635 -13.901 -12.280 247 HB2 TYR 42 2HB TYR 42 -9.253 -14.698 -12.911 248 HB3 TYR 42 3HB TYR 42 -10.059 -15.459 -11.544 249 HD1 TYR 42 HD1 TYR 42 -11.121 -16.272 -14.938 250 HD2 TYR 42 HD2 TYR 42 -8.586 -17.409 -11.716 251 HE1 TYR 42 HE1 TYR 42 -10.797 -18.476 -15.979 252 HE2 TYR 42 HE2 TYR 42 -8.254 -19.617 -12.749 253 HH TYR 42 HH TYR 42 -8.385 -20.564 -15.151 254 H CYS 43 H CYS 43 -12.899 -12.911 -14.064 255 HA CYS 43 HA CYS 43 -11.292 -12.734 -16.530 256 HB2 CYS 43 2HB CYS 43 -13.446 -13.707 -17.027 257 HB3 CYS 43 3HB CYS 43 -14.276 -12.426 -16.151 258 H ASN 44 H ASN 44 -10.067 -10.961 -16.287 259 HA ASN 44 HA ASN 44 -11.250 -8.544 -15.136 260 HB2 ASN 44 2HB ASN 44 -9.179 -8.899 -14.131 261 HB3 ASN 44 3HB ASN 44 -8.440 -9.470 -15.624 262 HD21 ASN 44 1HD2 ASN 44 -8.124 -7.856 -17.330 263 HD22 ASN 44 2HD2 ASN 44 -7.729 -6.238 -16.868 264 H ALA 45 H ALA 45 -10.502 -6.444 -16.202 265 HA ALA 45 HA ALA 45 -11.690 -6.007 -18.582 266 HB1 ALA 45 1HB ALA 45 -10.259 -4.037 -18.870 267 HB2 ALA 45 2HB ALA 45 -10.806 -4.211 -17.202 268 HB3 ALA 45 3HB ALA 45 -9.159 -4.663 -17.641 269 H ALA 46 H ALA 46 -10.448 -5.222 -20.660 270 HA ALA 46 HA ALA 46 -9.645 -7.384 -22.113 271 HB1 ALA 46 1HB ALA 46 -10.189 -5.308 -23.186 272 HB2 ALA 46 2HB ALA 46 -8.792 -4.514 -22.459 273 HB3 ALA 46 3HB ALA 46 -8.558 -5.778 -23.667 274 H THR 47 H THR 47 -8.226 -8.759 -21.080 275 HA THR 47 HA THR 47 -5.439 -7.835 -20.993 276 HB THR 47 HB THR 47 -6.164 -7.812 -18.684 277 HG1 THR 47 HG1 THR 47 -4.750 -9.651 -17.947 278 HG21 THR 47 1HG2 THR 47 -7.323 -9.492 -17.616 279 HG22 THR 47 2HG2 THR 47 -6.743 -10.740 -18.718 280 HG23 THR 47 3HG2 THR 47 -7.995 -9.615 -19.241 281 H GLY 48 H GLY 48 -4.212 -10.146 -20.205 282 HA2 GLY 48 2HA GLY 48 -4.652 -11.827 -22.552 283 HA3 GLY 48 3HA GLY 48 -3.247 -11.861 -21.497 284 H LYS 49 H LYS 49 -6.415 -11.885 -20.100 285 HA LYS 49 HA LYS 49 -6.740 -14.713 -20.003 286 HB2 LYS 49 2HB LYS 49 -5.817 -15.291 -18.029 287 HB3 LYS 49 3HB LYS 49 -4.840 -13.847 -18.255 288 HG2 LYS 49 2HG LYS 49 -7.472 -13.756 -16.823 289 HG3 LYS 49 3HG LYS 49 -5.972 -14.178 -15.995 290 HD2 LYS 49 2HD LYS 49 -5.322 -11.900 -17.427 291 HD3 LYS 49 3HD LYS 49 -6.960 -11.583 -16.852 292 HE2 LYS 49 2HE LYS 49 -6.248 -12.131 -14.567 293 HE3 LYS 49 3HE LYS 49 -4.610 -12.418 -15.153 294 HZ1 LYS 49 1HZ LYS 49 -4.546 -10.258 -14.359 295 HZ2 LYS 49 2HZ LYS 49 -6.078 -9.866 -14.959 296 HZ3 LYS 49 3HZ LYS 49 -4.770 -10.031 -16.020 297 H CYS 50 H CYS 50 -8.812 -15.192 -19.561 298 HA CYS 50 HA CYS 50 -10.449 -13.725 -17.770 299 HB2 CYS 50 2HB CYS 50 -10.622 -12.005 -19.362 300 HB3 CYS 50 3HB CYS 50 -10.691 -13.137 -20.709 301 H GLN 51 H GLN 51 -11.713 -15.252 -16.966 302 HA GLN 51 HA GLN 51 -13.614 -16.712 -18.278 303 HB2 GLN 51 2HB GLN 51 -12.380 -19.029 -18.150 304 HB3 GLN 51 3HB GLN 51 -12.222 -18.008 -19.573 305 HG2 GLN 51 2HG GLN 51 -10.039 -17.645 -19.230 306 HG3 GLN 51 3HG GLN 51 -10.228 -17.516 -17.482 307 HE21 GLN 51 1HE2 GLN 51 -11.357 -19.949 -16.896 308 HE22 GLN 51 2HE2 GLN 51 -10.221 -21.207 -17.232 309 H ARG 52 H ARG 52 -13.142 -19.283 -16.908 310 HA ARG 52 HA ARG 52 -13.238 -18.454 -14.095 311 HB2 ARG 52 2HB ARG 52 -15.281 -19.476 -13.662 312 HB3 ARG 52 3HB ARG 52 -15.552 -18.732 -15.232 313 HG2 ARG 52 2HG ARG 52 -14.968 -21.629 -14.670 314 HG3 ARG 52 3HG ARG 52 -16.480 -20.932 -15.256 315 HD2 ARG 52 2HD ARG 52 -13.860 -21.209 -16.697 316 HD3 ARG 52 3HD ARG 52 -15.437 -21.852 -17.154 317 HE ARG 52 HE ARG 52 -15.165 -18.955 -17.055 318 HH11 ARG 52 1HH1 ARG 52 -15.269 -21.861 -18.969 319 HH12 ARG 52 2HH1 ARG 52 -15.616 -21.030 -20.449 320 HH21 ARG 52 1HH2 ARG 52 -15.623 -17.849 -18.997 321 HH22 ARG 52 2HH2 ARG 52 -15.816 -18.748 -20.464 322 H MET 53 H MET 53 -13.329 -20.492 -12.651 323 HA MET 53 HA MET 53 -11.066 -22.107 -13.349 324 HB2 MET 53 2HB MET 53 -12.655 -21.560 -10.961 325 HB3 MET 53 3HB MET 53 -12.172 -23.246 -11.085 326 HG2 MET 53 2HG MET 53 -10.118 -21.147 -11.534 327 HG3 MET 53 3HG MET 53 -10.662 -21.462 -9.888 328 HE1 MET 53 1HE MET 53 -10.660 -25.244 -10.097 329 HE2 MET 53 2HE MET 53 -9.673 -24.585 -8.792 330 HE3 MET 53 3HE MET 53 -11.191 -23.801 -9.232 Start of MODEL 14 1 H1 GLY 1 H GLY 1 2.640 -2.869 -0.819 2 HA2 GLY 1 2HA GLY 1 2.975 -0.404 -2.355 3 HA3 GLY 1 3HA GLY 1 3.254 -0.311 -0.622 4 H SER 2 H SER 2 4.044 -3.262 -2.214 5 HA SER 2 HA SER 2 6.900 -2.540 -2.098 6 HB2 SER 2 2HB SER 2 5.431 -4.818 -0.968 7 HB3 SER 2 3HB SER 2 6.871 -5.279 -1.876 8 HG SER 2 HG SER 2 6.652 -3.683 0.428 9 H LYS 3 H LYS 3 4.505 -4.626 -3.679 10 HA LYS 3 HA LYS 3 6.025 -4.380 -6.169 11 HB2 LYS 3 2HB LYS 3 5.080 -6.980 -4.954 12 HB3 LYS 3 3HB LYS 3 5.584 -6.815 -6.632 13 HG2 LYS 3 2HG LYS 3 7.714 -7.028 -6.072 14 HG3 LYS 3 3HG LYS 3 7.587 -5.723 -4.891 15 HD2 LYS 3 2HD LYS 3 6.667 -7.335 -3.260 16 HD3 LYS 3 3HD LYS 3 6.895 -8.627 -4.442 17 HE2 LYS 3 2HE LYS 3 9.212 -6.895 -3.720 18 HE3 LYS 3 3HE LYS 3 8.698 -8.147 -2.590 19 HZ1 LYS 3 1HZ LYS 3 9.045 -9.810 -4.236 20 HZ2 LYS 3 2HZ LYS 3 10.442 -8.857 -4.184 21 HZ3 LYS 3 3HZ LYS 3 9.329 -8.660 -5.444 22 H LYS 4 H LYS 4 4.734 -3.704 -7.738 23 HA LYS 4 HA LYS 4 1.995 -4.685 -7.906 24 HB2 LYS 4 2HB LYS 4 2.500 -1.724 -8.096 25 HB3 LYS 4 3HB LYS 4 0.961 -2.563 -7.953 26 HG2 LYS 4 2HG LYS 4 1.210 -1.743 -5.834 27 HG3 LYS 4 3HG LYS 4 1.937 -3.341 -5.656 28 HD2 LYS 4 2HD LYS 4 3.684 -2.231 -4.790 29 HD3 LYS 4 3HD LYS 4 4.069 -1.840 -6.468 30 HE2 LYS 4 2HE LYS 4 2.280 -0.135 -4.748 31 HE3 LYS 4 3HE LYS 4 4.024 0.105 -4.854 32 HZ1 LYS 4 1HZ LYS 4 2.004 0.409 -6.993 33 HZ2 LYS 4 2HZ LYS 4 3.653 0.256 -7.339 34 HZ3 LYS 4 3HZ LYS 4 3.100 1.560 -6.413 35 HA PRO 5 HA PRO 5 4.298 -4.263 -11.954 36 HB2 PRO 5 2HB PRO 5 3.952 -6.845 -12.720 37 HB3 PRO 5 3HB PRO 5 5.319 -6.310 -11.736 38 HG2 PRO 5 2HG PRO 5 2.775 -7.635 -10.882 39 HG3 PRO 5 3HG PRO 5 4.435 -7.950 -10.344 40 HD2 PRO 5 2HD PRO 5 2.690 -6.469 -8.897 41 HD3 PRO 5 3HD PRO 5 4.438 -6.158 -8.894 42 H VAL 6 H VAL 6 1.395 -6.211 -11.259 43 HA VAL 6 HA VAL 6 0.160 -5.091 -13.690 44 HB VAL 6 HB VAL 6 0.458 -7.584 -13.640 45 HG11 VAL 6 1HG1 VAL 6 -1.715 -7.522 -11.555 46 HG12 VAL 6 2HG1 VAL 6 -0.887 -8.937 -12.207 47 HG13 VAL 6 3HG1 VAL 6 -0.012 -7.792 -11.189 48 HG21 VAL 6 1HG2 VAL 6 -2.457 -6.874 -13.665 49 HG22 VAL 6 2HG2 VAL 6 -1.351 -6.271 -14.899 50 HG23 VAL 6 3HG2 VAL 6 -1.585 -8.007 -14.697 51 HA PRO 7 HA PRO 7 -2.549 -2.949 -10.900 52 HB2 PRO 7 2HB PRO 7 -4.230 -1.973 -12.795 53 HB3 PRO 7 3HB PRO 7 -2.623 -1.299 -12.496 54 HG2 PRO 7 2HG PRO 7 -3.510 -3.212 -14.621 55 HG3 PRO 7 3HG PRO 7 -2.436 -1.808 -14.757 56 HD2 PRO 7 2HD PRO 7 -1.504 -4.346 -14.608 57 HD3 PRO 7 3HD PRO 7 -0.616 -2.962 -13.939 58 H ILE 8 H ILE 8 -3.502 -5.407 -13.171 59 HA ILE 8 HA ILE 8 -6.103 -5.703 -11.837 60 HB ILE 8 HB ILE 8 -6.939 -6.740 -13.713 61 HG12 ILE 8 2HG1 ILE 8 -4.171 -7.737 -14.009 62 HG13 ILE 8 3HG1 ILE 8 -5.702 -8.569 -14.259 63 HG21 ILE 8 1HG2 ILE 8 -4.772 -5.078 -14.981 64 HG22 ILE 8 2HG2 ILE 8 -6.386 -5.412 -15.608 65 HG23 ILE 8 3HG2 ILE 8 -6.188 -4.393 -14.183 66 HD11 ILE 8 1HD1 ILE 8 -4.594 -8.460 -16.348 67 HD12 ILE 8 2HD1 ILE 8 -5.926 -7.306 -16.406 68 HD13 ILE 8 3HD1 ILE 8 -4.275 -6.736 -16.162 69 H ILE 9 H ILE 9 -6.669 -7.546 -10.771 70 HA ILE 9 HA ILE 9 -4.767 -9.777 -10.734 71 HB ILE 9 HB ILE 9 -4.291 -9.683 -8.543 72 HG12 ILE 9 2HG1 ILE 9 -6.588 -8.324 -7.382 73 HG13 ILE 9 3HG1 ILE 9 -7.065 -9.733 -8.322 74 HG21 ILE 9 1HG2 ILE 9 -4.095 -7.476 -7.657 75 HG22 ILE 9 2HG2 ILE 9 -3.875 -7.373 -9.403 76 HG23 ILE 9 3HG2 ILE 9 -5.407 -6.890 -8.678 77 HD11 ILE 9 1HD1 ILE 9 -6.474 -9.913 -5.771 78 HD12 ILE 9 2HD1 ILE 9 -6.041 -11.192 -6.906 79 HD13 ILE 9 3HD1 ILE 9 -4.827 -10.020 -6.394 80 H TYR 10 H TYR 10 -5.733 -11.672 -9.467 81 HA TYR 10 HA TYR 10 -8.652 -11.772 -9.684 82 HB2 TYR 10 2HB TYR 10 -8.316 -14.130 -10.694 83 HB3 TYR 10 3HB TYR 10 -8.129 -12.734 -11.750 84 HD1 TYR 10 HD1 TYR 10 -6.851 -14.187 -13.303 85 HD2 TYR 10 HD2 TYR 10 -5.490 -13.390 -9.351 86 HE1 TYR 10 HE1 TYR 10 -4.601 -14.960 -13.928 87 HE2 TYR 10 HE2 TYR 10 -3.236 -14.160 -9.966 88 HH TYR 10 HH TYR 10 -2.522 -15.995 -12.405 89 H CYS 11 H CYS 11 -8.273 -11.594 -7.324 90 HA CYS 11 HA CYS 11 -7.499 -14.169 -6.126 91 HB2 CYS 11 2HB CYS 11 -6.130 -12.407 -5.262 92 HB3 CYS 11 3HB CYS 11 -7.528 -11.373 -4.988 93 H ASN 12 H ASN 12 -9.304 -15.368 -5.977 94 HA ASN 12 HA ASN 12 -11.797 -14.117 -5.101 95 HB2 ASN 12 2HB ASN 12 -12.235 -15.491 -6.937 96 HB3 ASN 12 3HB ASN 12 -11.112 -16.736 -6.398 97 HD21 ASN 12 1HD2 ASN 12 -11.722 -17.963 -4.482 98 HD22 ASN 12 2HD2 ASN 12 -13.396 -18.279 -4.194 99 H ALA 13 H ALA 13 -13.157 -15.525 -3.581 100 HA ALA 13 HA ALA 13 -12.192 -15.541 -1.061 101 HB1 ALA 13 1HB ALA 13 -14.486 -15.930 -1.314 102 HB2 ALA 13 2HB ALA 13 -14.225 -17.349 -2.329 103 HB3 ALA 13 3HB ALA 13 -13.862 -17.419 -0.605 104 H ALA 14 H ALA 14 -11.954 -17.625 0.360 105 HA ALA 14 HA ALA 14 -9.478 -18.718 -0.026 106 HB1 ALA 14 1HB ALA 14 -10.181 -20.520 1.538 107 HB2 ALA 14 2HB ALA 14 -10.581 -18.894 2.095 108 HB3 ALA 14 3HB ALA 14 -11.837 -19.926 1.409 109 H THR 15 H THR 15 -9.050 -19.437 -2.088 110 HA THR 15 HA THR 15 -10.277 -22.008 -2.796 111 HB THR 15 HB THR 15 -11.396 -20.391 -4.209 112 HG1 THR 15 HG1 THR 15 -11.176 -21.903 -5.665 113 HG21 THR 15 1HG2 THR 15 -10.355 -18.754 -5.477 114 HG22 THR 15 2HG2 THR 15 -8.799 -19.585 -5.462 115 HG23 THR 15 3HG2 THR 15 -9.372 -18.759 -4.013 116 H GLY 16 H GLY 16 -8.918 -22.536 -5.112 117 HA2 GLY 16 2HA GLY 16 -6.227 -22.973 -4.074 118 HA3 GLY 16 3HA GLY 16 -6.943 -23.755 -5.475 119 H LYS 17 H LYS 17 -7.192 -20.320 -5.173 120 HA LYS 17 HA LYS 17 -4.792 -19.629 -6.520 121 HB2 LYS 17 2HB LYS 17 -5.335 -19.733 -8.689 122 HB3 LYS 17 3HB LYS 17 -6.717 -20.706 -8.202 123 HG2 LYS 17 2HG LYS 17 -6.946 -17.736 -8.164 124 HG3 LYS 17 3HG LYS 17 -7.035 -18.596 -9.703 125 HD2 LYS 17 2HD LYS 17 -8.838 -20.011 -8.745 126 HD3 LYS 17 3HD LYS 17 -8.794 -19.016 -7.287 127 HE2 LYS 17 2HE LYS 17 -10.459 -17.936 -8.398 128 HE3 LYS 17 3HE LYS 17 -9.080 -17.072 -9.076 129 HZ1 LYS 17 1HZ LYS 17 -10.812 -19.080 -10.325 130 HZ2 LYS 17 2HZ LYS 17 -9.200 -18.986 -10.829 131 HZ3 LYS 17 3HZ LYS 17 -10.208 -17.633 -10.961 132 H CYS 18 H CYS 18 -4.385 -17.536 -6.161 133 HA CYS 18 HA CYS 18 -6.343 -15.489 -6.212 134 HB2 CYS 18 2HB CYS 18 -7.177 -16.077 -4.136 135 HB3 CYS 18 3HB CYS 18 -5.625 -16.682 -3.567 136 H GLN 19 H GLN 19 -5.150 -13.964 -7.133 137 HA GLN 19 HA GLN 19 -3.166 -12.520 -5.917 138 HB2 GLN 19 2HB GLN 19 -1.086 -13.297 -6.879 139 HB3 GLN 19 3HB GLN 19 -1.836 -14.607 -5.976 140 HG2 GLN 19 2HG GLN 19 -2.662 -14.645 -8.737 141 HG3 GLN 19 3HG GLN 19 -0.905 -14.678 -8.593 142 HE21 GLN 19 1HE2 GLN 19 -3.880 -16.290 -7.694 143 HE22 GLN 19 2HE2 GLN 19 -3.169 -17.827 -7.353 144 H ARG 20 H ARG 20 -1.470 -12.596 -8.507 145 HA ARG 20 HA ARG 20 -3.379 -11.317 -10.326 146 HB2 ARG 20 2HB ARG 20 -2.208 -9.321 -10.502 147 HB3 ARG 20 3HB ARG 20 -2.083 -9.672 -8.783 148 HG2 ARG 20 2HG ARG 20 0.023 -10.105 -10.886 149 HG3 ARG 20 3HG ARG 20 0.046 -8.932 -9.568 150 HD2 ARG 20 2HD ARG 20 0.318 -11.918 -9.432 151 HD3 ARG 20 3HD ARG 20 1.434 -10.684 -8.850 152 HE ARG 20 HE ARG 20 -1.197 -10.859 -7.593 153 HH11 ARG 20 1HH1 ARG 20 2.235 -11.422 -7.440 154 HH12 ARG 20 2HH1 ARG 20 2.256 -11.631 -5.720 155 HH21 ARG 20 1HH2 ARG 20 -1.183 -11.133 -5.329 156 HH22 ARG 20 2HH2 ARG 20 0.311 -11.468 -4.520 157 H MET 21 H MET 21 -2.089 -10.674 -12.429 158 HA MET 21 HA MET 21 -0.683 -13.107 -13.252 159 HB2 MET 21 2HB MET 21 -1.643 -10.915 -15.079 160 HB3 MET 21 3HB MET 21 -1.295 -12.592 -15.478 161 HG2 MET 21 2HG MET 21 -3.436 -13.060 -15.224 162 HG3 MET 21 3HG MET 21 -3.297 -12.652 -13.515 163 HE1 MET 21 1HE MET 21 -5.855 -12.639 -14.835 164 HE2 MET 21 2HE MET 21 -6.053 -11.630 -13.403 165 HE3 MET 21 3HE MET 21 -6.624 -11.058 -14.971 166 H1 GLY 33 H GLY 33 -25.497 -19.220 -18.301 167 HA2 GLY 33 2HA GLY 33 -27.521 -20.307 -17.577 168 HA3 GLY 33 3HA GLY 33 -28.344 -19.595 -18.957 169 H SER 34 H SER 34 -25.211 -20.908 -19.496 170 HA SER 34 HA SER 34 -26.428 -23.306 -20.703 171 HB2 SER 34 2HB SER 34 -24.075 -21.715 -21.754 172 HB3 SER 34 3HB SER 34 -24.731 -23.183 -22.479 173 HG SER 34 HG SER 34 -26.706 -22.035 -22.774 174 H LYS 35 H LYS 35 -23.451 -21.932 -19.346 175 HA LYS 35 HA LYS 35 -22.857 -24.535 -18.152 176 HB2 LYS 35 2HB LYS 35 -20.758 -22.942 -19.630 177 HB3 LYS 35 3HB LYS 35 -20.561 -24.521 -18.880 178 HG2 LYS 35 2HG LYS 35 -20.832 -25.227 -21.000 179 HG3 LYS 35 3HG LYS 35 -22.543 -25.097 -20.583 180 HD2 LYS 35 2HD LYS 35 -22.616 -23.857 -22.473 181 HD3 LYS 35 3HD LYS 35 -22.069 -22.574 -21.391 182 HE2 LYS 35 2HE LYS 35 -19.764 -22.986 -22.029 183 HE3 LYS 35 3HE LYS 35 -20.264 -24.335 -23.048 184 HZ1 LYS 35 1HZ LYS 35 -21.766 -22.231 -23.923 185 HZ2 LYS 35 2HZ LYS 35 -20.388 -22.854 -24.680 186 HZ3 LYS 35 3HZ LYS 35 -20.252 -21.538 -23.625 187 H LYS 36 H LYS 36 -22.461 -24.282 -16.062 188 HA LYS 36 HA LYS 36 -20.960 -21.968 -15.124 189 HB2 LYS 36 2HB LYS 36 -23.551 -22.676 -13.767 190 HB3 LYS 36 3HB LYS 36 -22.564 -21.237 -13.552 191 HG2 LYS 36 2HG LYS 36 -24.278 -20.403 -14.812 192 HG3 LYS 36 3HG LYS 36 -23.125 -20.839 -16.075 193 HD2 LYS 36 2HD LYS 36 -24.858 -21.939 -16.985 194 HD3 LYS 36 3HD LYS 36 -24.509 -23.167 -15.766 195 HE2 LYS 36 2HE LYS 36 -26.259 -20.900 -14.984 196 HE3 LYS 36 3HE LYS 36 -26.930 -22.112 -16.075 197 HZ1 LYS 36 1HZ LYS 36 -27.216 -23.474 -14.372 198 HZ2 LYS 36 2HZ LYS 36 -26.667 -22.273 -13.315 199 HZ3 LYS 36 3HZ LYS 36 -25.576 -23.392 -13.961 200 HA PRO 37 HA PRO 37 -19.988 -26.049 -13.057 201 HB2 PRO 37 2HB PRO 37 -17.331 -25.992 -13.607 202 HB3 PRO 37 3HB PRO 37 -18.525 -26.686 -14.709 203 HG2 PRO 37 2HG PRO 37 -17.224 -23.991 -14.779 204 HG3 PRO 37 3HG PRO 37 -17.543 -25.114 -16.114 205 HD2 PRO 37 2HD PRO 37 -19.112 -22.966 -15.612 206 HD3 PRO 37 3HD PRO 37 -19.751 -24.478 -16.289 207 H VAL 38 H VAL 38 -17.964 -23.113 -13.152 208 HA VAL 38 HA VAL 38 -17.669 -23.329 -10.226 209 HB VAL 38 HB VAL 38 -15.556 -23.582 -11.602 210 HG11 VAL 38 1HG1 VAL 38 -16.165 -21.834 -13.264 211 HG12 VAL 38 2HG1 VAL 38 -15.892 -20.615 -12.017 212 HG13 VAL 38 3HG1 VAL 38 -14.557 -21.627 -12.569 213 HG21 VAL 38 1HG2 VAL 38 -15.438 -21.198 -9.782 214 HG22 VAL 38 2HG2 VAL 38 -15.759 -22.819 -9.167 215 HG23 VAL 38 3HG2 VAL 38 -14.245 -22.477 -10.004 216 HA PRO 39 HA PRO 39 -19.957 -19.531 -10.118 217 HB2 PRO 39 2HB PRO 39 -19.611 -19.030 -7.472 218 HB3 PRO 39 3HB PRO 39 -20.738 -20.249 -8.080 219 HG2 PRO 39 2HG PRO 39 -17.970 -20.601 -6.996 220 HG3 PRO 39 3HG PRO 39 -19.423 -21.569 -6.689 221 HD2 PRO 39 2HD PRO 39 -17.498 -22.341 -8.430 222 HD3 PRO 39 3HD PRO 39 -19.212 -22.740 -8.663 223 H ILE 40 H ILE 40 -16.640 -19.903 -9.110 224 HA ILE 40 HA ILE 40 -16.253 -16.990 -9.195 225 HB ILE 40 HB ILE 40 -14.403 -17.196 -7.834 226 HG12 ILE 40 2HG1 ILE 40 -14.126 -19.846 -9.132 227 HG13 ILE 40 3HG1 ILE 40 -12.898 -18.645 -8.749 228 HG21 ILE 40 1HG2 ILE 40 -15.993 -19.600 -6.962 229 HG22 ILE 40 2HG2 ILE 40 -15.023 -18.529 -5.953 230 HG23 ILE 40 3HG2 ILE 40 -16.505 -17.934 -6.700 231 HD11 ILE 40 1HD1 ILE 40 -12.452 -20.558 -7.434 232 HD12 ILE 40 2HD1 ILE 40 -13.119 -19.336 -6.350 233 HD13 ILE 40 3HD1 ILE 40 -14.131 -20.669 -6.906 234 H ILE 41 H ILE 41 -14.954 -16.049 -10.681 235 HA ILE 41 HA ILE 41 -13.365 -17.763 -12.452 236 HB ILE 41 HB ILE 41 -14.352 -17.133 -14.389 237 HG12 ILE 41 2HG1 ILE 41 -15.739 -14.673 -13.597 238 HG13 ILE 41 3HG1 ILE 41 -13.991 -14.590 -13.402 239 HG21 ILE 41 1HG2 ILE 41 -16.706 -17.176 -14.234 240 HG22 ILE 41 2HG2 ILE 41 -16.115 -18.073 -12.836 241 HG23 ILE 41 3HG2 ILE 41 -16.691 -16.417 -12.642 242 HD11 ILE 41 1HD1 ILE 41 -15.081 -15.638 -15.958 243 HD12 ILE 41 2HD1 ILE 41 -15.151 -13.902 -15.649 244 HD13 ILE 41 3HD1 ILE 41 -13.598 -14.738 -15.642 245 H TYR 42 H TYR 42 -12.055 -16.273 -14.009 246 HA TYR 42 HA TYR 42 -11.185 -13.843 -12.613 247 HB2 TYR 42 2HB TYR 42 -8.791 -14.573 -13.270 248 HB3 TYR 42 3HB TYR 42 -9.535 -15.317 -11.859 249 HD1 TYR 42 HD1 TYR 42 -7.999 -17.218 -11.992 250 HD2 TYR 42 HD2 TYR 42 -10.626 -16.282 -15.206 251 HE1 TYR 42 HE1 TYR 42 -7.602 -19.445 -12.957 252 HE2 TYR 42 HE2 TYR 42 -10.237 -18.507 -16.179 253 HH TYR 42 HH TYR 42 -7.749 -20.442 -15.407 254 H CYS 43 H CYS 43 -12.530 -12.975 -14.399 255 HA CYS 43 HA CYS 43 -11.002 -12.848 -16.917 256 HB2 CYS 43 2HB CYS 43 -13.128 -13.900 -17.326 257 HB3 CYS 43 3HB CYS 43 -13.980 -12.634 -16.449 258 H ASN 44 H ASN 44 -9.832 -11.028 -16.803 259 HA ASN 44 HA ASN 44 -11.002 -8.615 -15.652 260 HB2 ASN 44 2HB ASN 44 -8.829 -8.847 -14.859 261 HB3 ASN 44 3HB ASN 44 -8.225 -9.462 -16.395 262 HD21 ASN 44 1HD2 ASN 44 -8.069 -7.935 -18.172 263 HD22 ASN 44 2HD2 ASN 44 -7.714 -6.280 -17.826 264 H ALA 45 H ALA 45 -10.482 -6.523 -16.841 265 HA ALA 45 HA ALA 45 -11.915 -6.219 -19.105 266 HB1 ALA 45 1HB ALA 45 -10.914 -4.128 -19.418 267 HB2 ALA 45 2HB ALA 45 -10.743 -4.441 -17.690 268 HB3 ALA 45 3HB ALA 45 -9.367 -4.671 -18.768 269 H ALA 46 H ALA 46 -10.865 -5.387 -21.297 270 HA ALA 46 HA ALA 46 -10.130 -7.533 -22.804 271 HB1 ALA 46 1HB ALA 46 -9.353 -4.650 -23.216 272 HB2 ALA 46 2HB ALA 46 -9.194 -5.913 -24.438 273 HB3 ALA 46 3HB ALA 46 -10.789 -5.467 -23.833 274 H THR 47 H THR 47 -8.612 -8.884 -21.893 275 HA THR 47 HA THR 47 -5.844 -7.898 -21.989 276 HB THR 47 HB THR 47 -6.380 -7.948 -19.641 277 HG1 THR 47 HG1 THR 47 -4.368 -8.699 -19.750 278 HG21 THR 47 1HG2 THR 47 -7.480 -10.671 -20.270 279 HG22 THR 47 2HG2 THR 47 -8.257 -9.329 -19.430 280 HG23 THR 47 3HG2 THR 47 -6.975 -10.244 -18.636 281 H GLY 48 H GLY 48 -4.523 -10.207 -21.338 282 HA2 GLY 48 2HA GLY 48 -5.067 -11.827 -23.705 283 HA3 GLY 48 3HA GLY 48 -3.607 -11.870 -22.727 284 H LYS 49 H LYS 49 -6.155 -11.905 -20.637 285 HA LYS 49 HA LYS 49 -6.652 -14.771 -20.781 286 HB2 LYS 49 2HB LYS 49 -5.708 -15.358 -18.762 287 HB3 LYS 49 3HB LYS 49 -4.556 -14.154 -19.323 288 HG2 LYS 49 2HG LYS 49 -6.833 -13.536 -17.459 289 HG3 LYS 49 3HG LYS 49 -5.207 -13.961 -16.921 290 HD2 LYS 49 2HD LYS 49 -5.770 -11.680 -18.804 291 HD3 LYS 49 3HD LYS 49 -5.723 -11.488 -17.050 292 HE2 LYS 49 2HE LYS 49 -3.415 -12.456 -17.095 293 HE3 LYS 49 3HE LYS 49 -3.486 -12.397 -18.856 294 HZ1 LYS 49 1HZ LYS 49 -2.975 -10.255 -18.825 295 HZ2 LYS 49 2HZ LYS 49 -2.693 -10.377 -17.162 296 HZ3 LYS 49 3HZ LYS 49 -4.212 -9.895 -17.729 297 H CYS 50 H CYS 50 -8.651 -15.304 -20.106 298 HA CYS 50 HA CYS 50 -10.107 -13.876 -18.133 299 HB2 CYS 50 2HB CYS 50 -10.619 -12.152 -19.574 300 HB3 CYS 50 3HB CYS 50 -10.547 -13.181 -21.001 301 H GLN 51 H GLN 51 -11.306 -15.390 -17.210 302 HA GLN 51 HA GLN 51 -13.264 -16.918 -18.379 303 HB2 GLN 51 2HB GLN 51 -11.962 -19.204 -18.206 304 HB3 GLN 51 3HB GLN 51 -11.925 -18.251 -19.683 305 HG2 GLN 51 2HG GLN 51 -9.738 -17.799 -19.494 306 HG3 GLN 51 3HG GLN 51 -9.821 -17.607 -17.743 307 HE21 GLN 51 1HE2 GLN 51 -10.825 -20.044 -16.989 308 HE22 GLN 51 2HE2 GLN 51 -9.676 -21.282 -17.352 309 H ARG 52 H ARG 52 -12.710 -19.419 -16.939 310 HA ARG 52 HA ARG 52 -12.776 -18.449 -14.162 311 HB2 ARG 52 2HB ARG 52 -14.698 -19.640 -13.645 312 HB3 ARG 52 3HB ARG 52 -15.053 -19.056 -15.266 313 HG2 ARG 52 2HG ARG 52 -14.154 -21.818 -14.482 314 HG3 ARG 52 3HG ARG 52 -15.731 -21.339 -15.114 315 HD2 ARG 52 2HD ARG 52 -13.092 -21.457 -16.540 316 HD3 ARG 52 3HD ARG 52 -14.598 -22.280 -16.943 317 HE ARG 52 HE ARG 52 -14.598 -19.369 -17.063 318 HH11 ARG 52 1HH1 ARG 52 -14.439 -22.411 -18.750 319 HH12 ARG 52 2HH1 ARG 52 -14.863 -21.730 -20.285 320 HH21 ARG 52 1HH2 ARG 52 -15.156 -18.461 -19.080 321 HH22 ARG 52 2HH2 ARG 52 -15.270 -19.483 -20.472 322 H MET 53 H MET 53 -12.705 -20.464 -12.628 323 HA MET 53 HA MET 53 -10.224 -21.763 -13.126 324 HB2 MET 53 2HB MET 53 -12.128 -21.542 -10.921 325 HB3 MET 53 3HB MET 53 -11.378 -23.129 -11.020 326 HG2 MET 53 2HG MET 53 -9.545 -20.846 -11.276 327 HG3 MET 53 3HG MET 53 -10.325 -21.030 -9.707 328 HE1 MET 53 1HE MET 53 -9.550 -24.286 -8.421 329 HE2 MET 53 2HE MET 53 -8.594 -22.935 -7.812 330 HE3 MET 53 3HE MET 53 -10.278 -22.686 -8.278 Start of MODEL 15 1 H1 GLY 1 H GLY 1 2.938 1.120 -2.278 2 HA2 GLY 1 2HA GLY 1 3.527 -1.059 -0.914 3 HA3 GLY 1 3HA GLY 1 3.087 -1.197 -2.610 4 H SER 2 H SER 2 4.348 -3.015 -2.970 5 HA SER 2 HA SER 2 7.250 -2.512 -2.973 6 HB2 SER 2 2HB SER 2 5.769 -5.013 -2.165 7 HB3 SER 2 3HB SER 2 7.472 -5.037 -2.621 8 HG SER 2 HG SER 2 7.332 -4.785 -0.405 9 H LYS 3 H LYS 3 4.641 -4.477 -4.372 10 HA LYS 3 HA LYS 3 5.903 -4.192 -6.994 11 HB2 LYS 3 2HB LYS 3 4.923 -6.864 -5.984 12 HB3 LYS 3 3HB LYS 3 5.728 -6.534 -7.513 13 HG2 LYS 3 2HG LYS 3 7.515 -7.317 -6.388 14 HG3 LYS 3 3HG LYS 3 7.612 -5.642 -5.841 15 HD2 LYS 3 2HD LYS 3 7.765 -6.788 -3.846 16 HD3 LYS 3 3HD LYS 3 6.031 -6.471 -3.936 17 HE2 LYS 3 2HE LYS 3 6.190 -8.728 -3.328 18 HE3 LYS 3 3HE LYS 3 5.847 -8.756 -5.057 19 HZ1 LYS 3 1HZ LYS 3 8.282 -9.505 -3.633 20 HZ2 LYS 3 2HZ LYS 3 8.473 -8.777 -5.148 21 HZ3 LYS 3 3HZ LYS 3 7.571 -10.201 -5.002 22 H LYS 4 H LYS 4 4.448 -3.498 -8.405 23 HA LYS 4 HA LYS 4 1.715 -4.504 -8.305 24 HB2 LYS 4 2HB LYS 4 2.175 -1.535 -8.483 25 HB3 LYS 4 3HB LYS 4 0.664 -2.390 -8.202 26 HG2 LYS 4 2HG LYS 4 1.121 -1.616 -6.101 27 HG3 LYS 4 3HG LYS 4 1.879 -3.209 -6.034 28 HD2 LYS 4 2HD LYS 4 3.687 -2.087 -5.319 29 HD3 LYS 4 3HD LYS 4 3.905 -1.675 -7.021 30 HE2 LYS 4 2HE LYS 4 2.106 0.214 -6.153 31 HE3 LYS 4 3HE LYS 4 3.166 0.013 -4.759 32 HZ1 LYS 4 1HZ LYS 4 4.300 1.586 -5.928 33 HZ2 LYS 4 2HZ LYS 4 3.789 1.021 -7.438 34 HZ3 LYS 4 3HZ LYS 4 5.003 0.199 -6.594 35 HA PRO 5 HA PRO 5 3.576 -3.978 -12.562 36 HB2 PRO 5 2HB PRO 5 3.174 -6.548 -13.341 37 HB3 PRO 5 3HB PRO 5 4.633 -6.017 -12.495 38 HG2 PRO 5 2HG PRO 5 2.204 -7.387 -11.406 39 HG3 PRO 5 3HG PRO 5 3.914 -7.693 -11.052 40 HD2 PRO 5 2HD PRO 5 2.318 -6.261 -9.399 41 HD3 PRO 5 3HD PRO 5 4.054 -5.931 -9.574 42 H VAL 6 H VAL 6 0.804 -6.037 -11.662 43 HA VAL 6 HA VAL 6 -0.708 -4.825 -13.884 44 HB VAL 6 HB VAL 6 -0.333 -7.304 -14.017 45 HG11 VAL 6 1HG1 VAL 6 -1.473 -8.786 -12.538 46 HG12 VAL 6 2HG1 VAL 6 -0.538 -7.666 -11.544 47 HG13 VAL 6 3HG1 VAL 6 -2.279 -7.446 -11.722 48 HG21 VAL 6 1HG2 VAL 6 -2.454 -7.735 -14.890 49 HG22 VAL 6 2HG2 VAL 6 -3.258 -6.715 -13.695 50 HG23 VAL 6 3HG2 VAL 6 -2.311 -5.980 -14.989 51 HA PRO 7 HA PRO 7 -3.174 -2.944 -10.705 52 HB2 PRO 7 2HB PRO 7 -5.066 -1.914 -12.358 53 HB3 PRO 7 3HB PRO 7 -3.456 -1.205 -12.180 54 HG2 PRO 7 2HG PRO 7 -4.502 -3.017 -14.321 55 HG3 PRO 7 3HG PRO 7 -3.486 -1.571 -14.476 56 HD2 PRO 7 2HD PRO 7 -2.474 -4.081 -14.580 57 HD3 PRO 7 3HD PRO 7 -1.561 -2.710 -13.917 58 H ILE 8 H ILE 8 -4.285 -5.293 -13.019 59 HA ILE 8 HA ILE 8 -6.732 -5.752 -11.460 60 HB ILE 8 HB ILE 8 -7.718 -6.704 -13.305 61 HG12 ILE 8 2HG1 ILE 8 -4.970 -7.613 -13.914 62 HG13 ILE 8 3HG1 ILE 8 -6.498 -8.476 -14.047 63 HG21 ILE 8 1HG2 ILE 8 -7.367 -5.272 -15.175 64 HG22 ILE 8 2HG2 ILE 8 -7.064 -4.321 -13.722 65 HG23 ILE 8 3HG2 ILE 8 -5.711 -4.928 -14.677 66 HD11 ILE 8 1HD1 ILE 8 -6.973 -7.143 -16.103 67 HD12 ILE 8 2HD1 ILE 8 -5.328 -6.514 -15.997 68 HD13 ILE 8 3HD1 ILE 8 -5.599 -8.241 -16.229 69 H ILE 9 H ILE 9 -7.146 -7.675 -10.463 70 HA ILE 9 HA ILE 9 -5.183 -9.836 -10.727 71 HB ILE 9 HB ILE 9 -4.505 -9.845 -8.587 72 HG12 ILE 9 2HG1 ILE 9 -6.725 -8.629 -7.147 73 HG13 ILE 9 3HG1 ILE 9 -7.241 -10.008 -8.113 74 HG21 ILE 9 1HG2 ILE 9 -4.257 -7.471 -9.360 75 HG22 ILE 9 2HG2 ILE 9 -5.710 -7.092 -8.437 76 HG23 ILE 9 3HG2 ILE 9 -4.272 -7.689 -7.610 77 HD11 ILE 9 1HD1 ILE 9 -6.420 -10.302 -5.644 78 HD12 ILE 9 2HD1 ILE 9 -6.026 -11.495 -6.883 79 HD13 ILE 9 3HD1 ILE 9 -4.829 -10.293 -6.404 80 H TYR 10 H TYR 10 -5.969 -11.828 -9.480 81 HA TYR 10 HA TYR 10 -8.893 -12.017 -9.443 82 HB2 TYR 10 2HB TYR 10 -8.571 -14.314 -10.594 83 HB3 TYR 10 3HB TYR 10 -8.529 -12.863 -11.590 84 HD1 TYR 10 HD1 TYR 10 -7.339 -14.145 -13.334 85 HD2 TYR 10 HD2 TYR 10 -5.671 -13.575 -9.462 86 HE1 TYR 10 HE1 TYR 10 -5.131 -14.799 -14.196 87 HE2 TYR 10 HE2 TYR 10 -3.457 -14.227 -10.314 88 HH TYR 10 HH TYR 10 -2.709 -15.802 -12.476 89 H CYS 11 H CYS 11 -8.291 -11.931 -7.118 90 HA CYS 11 HA CYS 11 -7.354 -14.538 -6.123 91 HB2 CYS 11 2HB CYS 11 -5.948 -12.779 -5.309 92 HB3 CYS 11 3HB CYS 11 -7.337 -11.801 -4.848 93 H ASN 12 H ASN 12 -9.107 -15.790 -5.857 94 HA ASN 12 HA ASN 12 -11.539 -14.646 -4.712 95 HB2 ASN 12 2HB ASN 12 -12.114 -15.975 -6.539 96 HB3 ASN 12 3HB ASN 12 -10.900 -17.194 -6.161 97 HD21 ASN 12 1HD2 ASN 12 -11.283 -18.569 -4.322 98 HD22 ASN 12 2HD2 ASN 12 -12.906 -18.937 -3.855 99 H ALA 13 H ALA 13 -12.717 -16.138 -3.123 100 HA ALA 13 HA ALA 13 -11.532 -16.202 -0.700 101 HB1 ALA 13 1HB ALA 13 -13.696 -16.749 -0.420 102 HB2 ALA 13 2HB ALA 13 -13.759 -17.696 -1.908 103 HB3 ALA 13 3HB ALA 13 -13.079 -18.402 -0.442 104 H ALA 14 H ALA 14 -11.152 -18.363 0.610 105 HA ALA 14 HA ALA 14 -8.670 -19.340 0.021 106 HB1 ALA 14 1HB ALA 14 -9.642 -19.684 2.184 107 HB2 ALA 14 2HB ALA 14 -10.900 -20.719 1.507 108 HB3 ALA 14 3HB ALA 14 -9.221 -21.258 1.508 109 H THR 15 H THR 15 -8.328 -19.924 -2.098 110 HA THR 15 HA THR 15 -9.532 -22.480 -2.905 111 HB THR 15 HB THR 15 -10.723 -20.806 -4.182 112 HG1 THR 15 HG1 THR 15 -10.352 -21.714 -6.147 113 HG21 THR 15 1HG2 THR 15 -9.207 -19.493 -5.885 114 HG22 THR 15 2HG2 THR 15 -7.982 -19.718 -4.637 115 HG23 THR 15 3HG2 THR 15 -9.481 -18.870 -4.259 116 H GLY 16 H GLY 16 -8.250 -22.857 -5.290 117 HA2 GLY 16 2HA GLY 16 -5.527 -23.336 -4.375 118 HA3 GLY 16 3HA GLY 16 -6.276 -24.004 -5.818 119 H LYS 17 H LYS 17 -6.972 -20.786 -5.804 120 HA LYS 17 HA LYS 17 -4.462 -19.885 -6.964 121 HB2 LYS 17 2HB LYS 17 -5.155 -19.614 -9.118 122 HB3 LYS 17 3HB LYS 17 -6.160 -20.996 -8.698 123 HG2 LYS 17 2HG LYS 17 -7.098 -18.151 -8.454 124 HG3 LYS 17 3HG LYS 17 -7.317 -19.126 -9.909 125 HD2 LYS 17 2HD LYS 17 -8.175 -20.357 -7.363 126 HD3 LYS 17 3HD LYS 17 -9.131 -18.987 -7.931 127 HE2 LYS 17 2HE LYS 17 -8.542 -20.795 -10.097 128 HE3 LYS 17 3HE LYS 17 -9.313 -21.651 -8.762 129 HZ1 LYS 17 1HZ LYS 17 -11.021 -20.850 -10.165 130 HZ2 LYS 17 2HZ LYS 17 -10.353 -19.298 -10.235 131 HZ3 LYS 17 3HZ LYS 17 -11.035 -19.861 -8.793 132 H CYS 18 H CYS 18 -4.100 -17.785 -6.561 133 HA CYS 18 HA CYS 18 -6.140 -15.820 -6.378 134 HB2 CYS 18 2HB CYS 18 -6.765 -16.509 -4.264 135 HB3 CYS 18 3HB CYS 18 -5.152 -17.088 -3.860 136 H GLN 19 H GLN 19 -5.088 -14.223 -7.352 137 HA GLN 19 HA GLN 19 -3.070 -12.731 -6.250 138 HB2 GLN 19 2HB GLN 19 -1.067 -13.382 -7.518 139 HB3 GLN 19 3HB GLN 19 -1.611 -14.671 -6.453 140 HG2 GLN 19 2HG GLN 19 -2.385 -14.585 -9.346 141 HG3 GLN 19 3HG GLN 19 -0.867 -15.301 -8.806 142 HE21 GLN 19 1HE2 GLN 19 -4.274 -15.657 -9.025 143 HE22 GLN 19 2HE2 GLN 19 -4.373 -17.254 -8.376 144 H ARG 20 H ARG 20 -1.595 -12.633 -8.965 145 HA ARG 20 HA ARG 20 -3.704 -11.394 -10.580 146 HB2 ARG 20 2HB ARG 20 -2.651 -9.334 -10.772 147 HB3 ARG 20 3HB ARG 20 -2.383 -9.734 -9.081 148 HG2 ARG 20 2HG ARG 20 -0.418 -9.975 -11.345 149 HG3 ARG 20 3HG ARG 20 -0.355 -8.860 -9.979 150 HD2 ARG 20 2HD ARG 20 0.068 -11.832 -9.998 151 HD3 ARG 20 3HD ARG 20 1.168 -10.568 -9.449 152 HE ARG 20 HE ARG 20 -1.346 -10.915 -8.004 153 HH11 ARG 20 1HH1 ARG 20 2.106 -11.346 -8.140 154 HH12 ARG 20 2HH1 ARG 20 2.269 -11.630 -6.439 155 HH21 ARG 20 1HH2 ARG 20 -1.144 -11.288 -5.763 156 HH22 ARG 20 2HH2 ARG 20 0.419 -11.598 -5.088 157 H MET 21 H MET 21 -2.645 -10.629 -12.756 158 HA MET 21 HA MET 21 -1.135 -12.933 -13.759 159 HB2 MET 21 2HB MET 21 -3.089 -11.036 -14.939 160 HB3 MET 21 3HB MET 21 -1.824 -11.633 -16.004 161 HG2 MET 21 2HG MET 21 -2.654 -13.933 -14.833 162 HG3 MET 21 3HG MET 21 -4.152 -13.006 -14.878 163 HE1 MET 21 1HE MET 21 -1.866 -14.811 -18.390 164 HE2 MET 21 2HE MET 21 -1.014 -13.808 -17.215 165 HE3 MET 21 3HE MET 21 -1.815 -15.291 -16.694 166 H1 GLY 33 H GLY 33 -22.848 -17.401 -18.954 167 HA2 GLY 33 2HA GLY 33 -25.192 -17.207 -18.920 168 HA3 GLY 33 3HA GLY 33 -25.131 -16.459 -20.509 169 H SER 34 H SER 34 -23.483 -19.450 -19.737 170 HA SER 34 HA SER 34 -25.481 -20.919 -21.325 171 HB2 SER 34 2HB SER 34 -22.471 -21.016 -21.538 172 HB3 SER 34 3HB SER 34 -23.507 -22.291 -22.181 173 HG SER 34 HG SER 34 -23.674 -19.543 -22.877 174 H LYS 35 H LYS 35 -22.814 -21.198 -19.000 175 HA LYS 35 HA LYS 35 -24.310 -23.298 -17.619 176 HB2 LYS 35 2HB LYS 35 -21.375 -23.578 -18.282 177 HB3 LYS 35 3HB LYS 35 -22.381 -24.746 -17.436 178 HG2 LYS 35 2HG LYS 35 -22.510 -25.709 -19.457 179 HG3 LYS 35 3HG LYS 35 -23.765 -24.500 -19.735 180 HD2 LYS 35 2HD LYS 35 -22.013 -22.998 -20.677 181 HD3 LYS 35 3HD LYS 35 -20.859 -24.324 -20.525 182 HE2 LYS 35 2HE LYS 35 -22.076 -25.659 -22.081 183 HE3 LYS 35 3HE LYS 35 -23.430 -24.529 -22.081 184 HZ1 LYS 35 1HZ LYS 35 -21.433 -24.549 -23.890 185 HZ2 LYS 35 2HZ LYS 35 -20.912 -23.343 -22.825 186 HZ3 LYS 35 3HZ LYS 35 -22.427 -23.219 -23.566 187 H LYS 36 H LYS 36 -23.051 -23.875 -15.505 188 HA LYS 36 HA LYS 36 -21.600 -21.622 -14.383 189 HB2 LYS 36 2HB LYS 36 -23.142 -21.449 -12.442 190 HB3 LYS 36 3HB LYS 36 -23.875 -20.940 -13.958 191 HG2 LYS 36 2HG LYS 36 -24.240 -23.750 -13.034 192 HG3 LYS 36 3HG LYS 36 -25.186 -22.458 -12.292 193 HD2 LYS 36 2HD LYS 36 -25.117 -22.318 -15.207 194 HD3 LYS 36 3HD LYS 36 -25.840 -23.808 -14.594 195 HE2 LYS 36 2HE LYS 36 -27.515 -22.655 -13.441 196 HE3 LYS 36 3HE LYS 36 -26.636 -21.129 -13.506 197 HZ1 LYS 36 1HZ LYS 36 -27.554 -20.631 -15.451 198 HZ2 LYS 36 2HZ LYS 36 -28.621 -21.920 -15.204 199 HZ3 LYS 36 3HZ LYS 36 -27.210 -22.151 -16.110 200 HA PRO 37 HA PRO 37 -20.370 -25.886 -12.903 201 HB2 PRO 37 2HB PRO 37 -17.764 -25.675 -13.635 202 HB3 PRO 37 3HB PRO 37 -19.022 -26.274 -14.722 203 HG2 PRO 37 2HG PRO 37 -17.797 -23.547 -14.562 204 HG3 PRO 37 3HG PRO 37 -18.189 -24.515 -15.995 205 HD2 PRO 37 2HD PRO 37 -19.769 -22.495 -15.126 206 HD3 PRO 37 3HD PRO 37 -20.419 -23.937 -15.931 207 H VAL 38 H VAL 38 -18.461 -22.877 -12.784 208 HA VAL 38 HA VAL 38 -17.978 -23.405 -9.923 209 HB VAL 38 HB VAL 38 -15.948 -23.522 -11.480 210 HG11 VAL 38 1HG1 VAL 38 -16.255 -20.523 -11.410 211 HG12 VAL 38 2HG1 VAL 38 -14.948 -21.440 -12.162 212 HG13 VAL 38 3HG1 VAL 38 -16.583 -21.533 -12.818 213 HG21 VAL 38 1HG2 VAL 38 -15.703 -21.468 -9.300 214 HG22 VAL 38 2HG2 VAL 38 -15.982 -23.175 -8.957 215 HG23 VAL 38 3HG2 VAL 38 -14.522 -22.675 -9.810 216 HA PRO 39 HA PRO 39 -20.180 -19.609 -9.312 217 HB2 PRO 39 2HB PRO 39 -19.624 -19.331 -6.669 218 HB3 PRO 39 3HB PRO 39 -20.807 -20.490 -7.285 219 HG2 PRO 39 2HG PRO 39 -17.967 -20.943 -6.454 220 HG3 PRO 39 3HG PRO 39 -19.403 -21.927 -6.115 221 HD2 PRO 39 2HD PRO 39 -17.627 -22.561 -8.059 222 HD3 PRO 39 3HD PRO 39 -19.359 -22.931 -8.190 223 H ILE 40 H ILE 40 -16.798 -20.079 -8.614 224 HA ILE 40 HA ILE 40 -16.386 -17.172 -8.471 225 HB ILE 40 HB ILE 40 -14.405 -17.514 -7.323 226 HG12 ILE 40 2HG1 ILE 40 -14.345 -20.085 -8.807 227 HG13 ILE 40 3HG1 ILE 40 -13.051 -18.933 -8.498 228 HG21 ILE 40 1HG2 ILE 40 -16.409 -18.265 -6.045 229 HG22 ILE 40 2HG2 ILE 40 -16.008 -19.924 -6.487 230 HG23 ILE 40 3HG2 ILE 40 -14.894 -18.982 -5.496 231 HD11 ILE 40 1HD1 ILE 40 -14.123 -21.047 -6.657 232 HD12 ILE 40 2HD1 ILE 40 -12.500 -20.905 -7.334 233 HD13 ILE 40 3HD1 ILE 40 -13.054 -19.752 -6.119 234 H ILE 41 H ILE 41 -15.354 -16.106 -10.050 235 HA ILE 41 HA ILE 41 -13.849 -17.636 -12.052 236 HB ILE 41 HB ILE 41 -15.046 -16.956 -13.841 237 HG12 ILE 41 2HG1 ILE 41 -16.414 -14.573 -12.839 238 HG13 ILE 41 3HG1 ILE 41 -14.661 -14.447 -12.744 239 HG21 ILE 41 1HG2 ILE 41 -16.652 -18.051 -12.303 240 HG22 ILE 41 2HG2 ILE 41 -17.162 -16.454 -11.755 241 HG23 ILE 41 3HG2 ILE 41 -17.417 -16.933 -13.433 242 HD11 ILE 41 1HD1 ILE 41 -15.901 -13.648 -14.869 243 HD12 ILE 41 2HD1 ILE 41 -14.401 -14.563 -15.028 244 HD13 ILE 41 3HD1 ILE 41 -15.953 -15.364 -15.271 245 H TYR 42 H TYR 42 -12.720 -16.020 -13.604 246 HA TYR 42 HA TYR 42 -11.859 -13.609 -12.176 247 HB2 TYR 42 2HB TYR 42 -9.475 -14.213 -12.966 248 HB3 TYR 42 3HB TYR 42 -10.116 -15.041 -11.550 249 HD1 TYR 42 HD1 TYR 42 -11.392 -15.973 -14.824 250 HD2 TYR 42 HD2 TYR 42 -8.443 -16.825 -11.878 251 HE1 TYR 42 HE1 TYR 42 -10.954 -18.142 -15.899 252 HE2 TYR 42 HE2 TYR 42 -7.995 -18.995 -12.946 253 HH TYR 42 HH TYR 42 -8.430 -19.839 -15.654 254 H CYS 43 H CYS 43 -13.336 -12.761 -13.869 255 HA CYS 43 HA CYS 43 -11.960 -12.517 -16.464 256 HB2 CYS 43 2HB CYS 43 -14.088 -13.618 -16.752 257 HB3 CYS 43 3HB CYS 43 -14.909 -12.373 -15.815 258 H ASN 44 H ASN 44 -10.831 -10.670 -16.381 259 HA ASN 44 HA ASN 44 -12.016 -8.310 -15.126 260 HB2 ASN 44 2HB ASN 44 -9.817 -8.537 -14.382 261 HB3 ASN 44 3HB ASN 44 -9.234 -9.065 -15.958 262 HD21 ASN 44 1HD2 ASN 44 -9.214 -7.445 -17.678 263 HD22 ASN 44 2HD2 ASN 44 -8.880 -5.801 -17.262 264 H ALA 45 H ALA 45 -11.545 -6.185 -16.289 265 HA ALA 45 HA ALA 45 -13.034 -5.867 -18.517 266 HB1 ALA 45 1HB ALA 45 -10.613 -4.353 -17.601 267 HB2 ALA 45 2HB ALA 45 -11.511 -3.870 -19.041 268 HB3 ALA 45 3HB ALA 45 -12.315 -3.908 -17.472 269 H ALA 46 H ALA 46 -12.096 -5.020 -20.727 270 HA ALA 46 HA ALA 46 -11.313 -7.139 -22.255 271 HB1 ALA 46 1HB ALA 46 -10.541 -5.490 -23.935 272 HB2 ALA 46 2HB ALA 46 -12.123 -5.106 -23.255 273 HB3 ALA 46 3HB ALA 46 -10.694 -4.225 -22.715 274 H THR 47 H THR 47 -9.690 -8.402 -21.398 275 HA THR 47 HA THR 47 -6.985 -7.290 -21.644 276 HB THR 47 HB THR 47 -7.429 -7.257 -19.266 277 HG1 THR 47 HG1 THR 47 -5.522 -8.105 -18.873 278 HG21 THR 47 1HG2 THR 47 -7.865 -10.224 -19.265 279 HG22 THR 47 2HG2 THR 47 -9.217 -9.116 -19.498 280 HG23 THR 47 3HG2 THR 47 -8.260 -9.040 -18.019 281 H GLY 48 H GLY 48 -5.518 -9.494 -20.970 282 HA2 GLY 48 2HA GLY 48 -6.140 -11.274 -23.206 283 HA3 GLY 48 3HA GLY 48 -4.600 -11.161 -22.367 284 H LYS 49 H LYS 49 -7.561 -11.400 -20.568 285 HA LYS 49 HA LYS 49 -7.613 -14.235 -20.340 286 HB2 LYS 49 2HB LYS 49 -6.469 -14.657 -18.422 287 HB3 LYS 49 3HB LYS 49 -5.552 -13.247 -18.936 288 HG2 LYS 49 2HG LYS 49 -7.905 -13.092 -17.071 289 HG3 LYS 49 3HG LYS 49 -6.237 -13.277 -16.525 290 HD2 LYS 49 2HD LYS 49 -6.340 -11.150 -18.416 291 HD3 LYS 49 3HD LYS 49 -7.613 -10.897 -17.219 292 HE2 LYS 49 2HE LYS 49 -6.095 -10.164 -15.775 293 HE3 LYS 49 3HE LYS 49 -5.291 -11.732 -15.832 294 HZ1 LYS 49 1HZ LYS 49 -4.016 -10.958 -17.742 295 HZ2 LYS 49 2HZ LYS 49 -3.767 -9.959 -16.400 296 HZ3 LYS 49 3HZ LYS 49 -4.774 -9.447 -17.659 297 H CYS 50 H CYS 50 -9.588 -14.829 -19.698 298 HA CYS 50 HA CYS 50 -11.086 -13.520 -17.685 299 HB2 CYS 50 2HB CYS 50 -11.633 -11.764 -19.099 300 HB3 CYS 50 3HB CYS 50 -11.627 -12.782 -20.535 301 H GLN 51 H GLN 51 -12.205 -15.117 -16.805 302 HA GLN 51 HA GLN 51 -14.129 -16.670 -17.982 303 HB2 GLN 51 2HB GLN 51 -12.773 -18.910 -18.003 304 HB3 GLN 51 3HB GLN 51 -12.752 -17.852 -19.408 305 HG2 GLN 51 2HG GLN 51 -10.566 -17.470 -19.229 306 HG3 GLN 51 3HG GLN 51 -10.656 -17.241 -17.484 307 HE21 GLN 51 1HE2 GLN 51 -11.633 -19.669 -16.675 308 HE22 GLN 51 2HE2 GLN 51 -10.472 -20.903 -17.009 309 H ARG 52 H ARG 52 -13.484 -19.212 -16.699 310 HA ARG 52 HA ARG 52 -13.264 -18.463 -13.877 311 HB2 ARG 52 2HB ARG 52 -15.290 -19.390 -13.231 312 HB3 ARG 52 3HB ARG 52 -15.710 -18.613 -14.752 313 HG2 ARG 52 2HG ARG 52 -15.199 -21.539 -14.280 314 HG3 ARG 52 3HG ARG 52 -16.731 -20.767 -14.696 315 HD2 ARG 52 2HD ARG 52 -14.304 -21.187 -16.410 316 HD3 ARG 52 3HD ARG 52 -15.968 -21.688 -16.709 317 HE ARG 52 HE ARG 52 -15.407 -18.826 -16.611 318 HH11 ARG 52 1HH1 ARG 52 -16.093 -21.669 -18.499 319 HH12 ARG 52 2HH1 ARG 52 -16.552 -20.779 -19.912 320 HH21 ARG 52 1HH2 ARG 52 -16.010 -17.643 -18.466 321 HH22 ARG 52 2HH2 ARG 52 -16.504 -18.489 -19.893 322 H MET 53 H MET 53 -13.224 -20.507 -12.477 323 HA MET 53 HA MET 53 -12.557 -23.010 -13.537 324 HB2 MET 53 2HB MET 53 -10.262 -23.082 -13.658 325 HB3 MET 53 3HB MET 53 -10.553 -21.436 -14.203 326 HG2 MET 53 2HG MET 53 -9.953 -20.541 -12.088 327 HG3 MET 53 3HG MET 53 -9.924 -22.142 -11.353 328 HE1 MET 53 1HE MET 53 -8.198 -24.094 -12.466 329 HE2 MET 53 2HE MET 53 -6.556 -23.563 -12.101 330 HE3 MET 53 3HE MET 53 -7.838 -23.346 -10.909 Start of MODEL 16 1 H1 GLY 1 H GLY 1 4.117 0.062 -0.776 2 HA2 GLY 1 2HA GLY 1 6.097 -0.041 -2.388 3 HA3 GLY 1 3HA GLY 1 6.511 0.229 -0.701 4 H SER 2 H SER 2 5.396 -2.749 -2.265 5 HA SER 2 HA SER 2 7.987 -3.972 -1.573 6 HB2 SER 2 2HB SER 2 6.474 -6.128 -1.442 7 HB3 SER 2 3HB SER 2 6.589 -5.034 -0.064 8 HG SER 2 HG SER 2 4.635 -4.105 -0.690 9 H LYS 3 H LYS 3 5.143 -5.112 -3.372 10 HA LYS 3 HA LYS 3 6.720 -5.178 -5.832 11 HB2 LYS 3 2HB LYS 3 5.864 -7.525 -6.257 12 HB3 LYS 3 3HB LYS 3 7.117 -7.373 -5.033 13 HG2 LYS 3 2HG LYS 3 4.554 -7.134 -3.793 14 HG3 LYS 3 3HG LYS 3 4.594 -8.587 -4.794 15 HD2 LYS 3 2HD LYS 3 6.628 -9.321 -3.674 16 HD3 LYS 3 3HD LYS 3 6.645 -7.846 -2.705 17 HE2 LYS 3 2HE LYS 3 4.428 -8.508 -1.784 18 HE3 LYS 3 3HE LYS 3 4.571 -10.035 -2.654 19 HZ1 LYS 3 1HZ LYS 3 6.165 -10.795 -1.249 20 HZ2 LYS 3 2HZ LYS 3 5.344 -9.785 -0.168 21 HZ3 LYS 3 3HZ LYS 3 6.776 -9.256 -0.898 22 H LYS 4 H LYS 4 5.569 -4.336 -7.430 23 HA LYS 4 HA LYS 4 2.712 -4.875 -7.620 24 HB2 LYS 4 2HB LYS 4 3.681 -2.034 -7.848 25 HB3 LYS 4 3HB LYS 4 2.027 -2.616 -7.714 26 HG2 LYS 4 2HG LYS 4 2.377 -1.811 -5.604 27 HG3 LYS 4 3HG LYS 4 2.842 -3.501 -5.392 28 HD2 LYS 4 2HD LYS 4 4.727 -2.656 -4.513 29 HD3 LYS 4 3HD LYS 4 5.194 -2.373 -6.191 30 HE2 LYS 4 2HE LYS 4 3.539 -0.303 -4.858 31 HE3 LYS 4 3HE LYS 4 5.221 -0.448 -4.352 32 HZ1 LYS 4 1HZ LYS 4 4.881 1.153 -6.174 33 HZ2 LYS 4 2HZ LYS 4 4.343 -0.106 -7.167 34 HZ3 LYS 4 3HZ LYS 4 5.935 -0.100 -6.597 35 HA PRO 5 HA PRO 5 5.097 -4.892 -11.642 36 HB2 PRO 5 2HB PRO 5 4.355 -7.399 -12.373 37 HB3 PRO 5 3HB PRO 5 5.779 -7.070 -11.379 38 HG2 PRO 5 2HG PRO 5 3.048 -7.962 -10.539 39 HG3 PRO 5 3HG PRO 5 4.632 -8.525 -9.974 40 HD2 PRO 5 2HD PRO 5 3.128 -6.762 -8.573 41 HD3 PRO 5 3HD PRO 5 4.903 -6.731 -8.552 42 H VAL 6 H VAL 6 1.937 -6.430 -11.016 43 HA VAL 6 HA VAL 6 0.884 -5.013 -13.378 44 HB VAL 6 HB VAL 6 1.008 -7.550 -13.534 45 HG11 VAL 6 1HG1 VAL 6 -1.320 -7.391 -11.624 46 HG12 VAL 6 2HG1 VAL 6 -0.671 -8.843 -12.387 47 HG13 VAL 6 3HG1 VAL 6 0.292 -7.965 -11.198 48 HG21 VAL 6 1HG2 VAL 6 -0.502 -5.971 -14.851 49 HG22 VAL 6 2HG2 VAL 6 -0.967 -7.672 -14.798 50 HG23 VAL 6 3HG2 VAL 6 -1.796 -6.499 -13.774 51 HA PRO 7 HA PRO 7 -1.762 -2.991 -10.452 52 HB2 PRO 7 2HB PRO 7 -3.368 -1.766 -12.265 53 HB3 PRO 7 3HB PRO 7 -1.730 -1.209 -11.902 54 HG2 PRO 7 2HG PRO 7 -2.698 -2.883 -14.187 55 HG3 PRO 7 3HG PRO 7 -1.547 -1.533 -14.197 56 HD2 PRO 7 2HD PRO 7 -0.756 -4.122 -14.260 57 HD3 PRO 7 3HD PRO 7 0.198 -2.851 -13.470 58 H ILE 8 H ILE 8 -2.847 -5.158 -12.958 59 HA ILE 8 HA ILE 8 -5.427 -5.487 -11.582 60 HB ILE 8 HB ILE 8 -6.396 -6.222 -13.557 61 HG12 ILE 8 2HG1 ILE 8 -3.658 -7.124 -14.191 62 HG13 ILE 8 3HG1 ILE 8 -5.205 -7.893 -14.528 63 HG21 ILE 8 1HG2 ILE 8 -5.633 -3.815 -13.596 64 HG22 ILE 8 2HG2 ILE 8 -4.318 -4.341 -14.645 65 HG23 ILE 8 3HG2 ILE 8 -5.992 -4.535 -15.165 66 HD11 ILE 8 1HD1 ILE 8 -3.829 -5.740 -16.100 67 HD12 ILE 8 2HD1 ILE 8 -4.236 -7.379 -16.610 68 HD13 ILE 8 3HD1 ILE 8 -5.514 -6.191 -16.355 69 H ILE 9 H ILE 9 -6.022 -7.422 -10.743 70 HA ILE 9 HA ILE 9 -4.292 -9.745 -11.208 71 HB ILE 9 HB ILE 9 -3.724 -10.086 -9.049 72 HG12 ILE 9 2HG1 ILE 9 -5.778 -8.572 -7.610 73 HG13 ILE 9 3HG1 ILE 9 -6.439 -9.852 -8.622 74 HG21 ILE 9 1HG2 ILE 9 -4.427 -7.180 -8.709 75 HG22 ILE 9 2HG2 ILE 9 -3.126 -8.080 -7.932 76 HG23 ILE 9 3HG2 ILE 9 -3.052 -7.740 -9.660 77 HD11 ILE 9 1HD1 ILE 9 -5.756 -10.300 -6.136 78 HD12 ILE 9 2HD1 ILE 9 -5.475 -11.511 -7.388 79 HD13 ILE 9 3HD1 ILE 9 -4.149 -10.486 -6.839 80 H TYR 10 H TYR 10 -5.320 -11.734 -10.058 81 HA TYR 10 HA TYR 10 -8.247 -11.620 -10.191 82 HB2 TYR 10 2HB TYR 10 -8.082 -13.902 -11.406 83 HB3 TYR 10 3HB TYR 10 -7.834 -12.432 -12.342 84 HD1 TYR 10 HD1 TYR 10 -5.230 -13.584 -10.059 85 HD2 TYR 10 HD2 TYR 10 -6.637 -13.680 -14.073 86 HE1 TYR 10 HE1 TYR 10 -3.042 -14.430 -10.799 87 HE2 TYR 10 HE2 TYR 10 -4.453 -14.527 -14.824 88 HH TYR 10 HH TYR 10 -2.377 -15.046 -14.233 89 H CYS 11 H CYS 11 -7.795 -11.670 -7.832 90 HA CYS 11 HA CYS 11 -7.331 -14.430 -6.907 91 HB2 CYS 11 2HB CYS 11 -5.559 -13.004 -6.099 92 HB3 CYS 11 3HB CYS 11 -6.721 -11.813 -5.522 93 H ASN 12 H ASN 12 -9.307 -15.273 -6.622 94 HA ASN 12 HA ASN 12 -11.409 -13.642 -5.408 95 HB2 ASN 12 2HB ASN 12 -12.312 -14.737 -7.249 96 HB3 ASN 12 3HB ASN 12 -11.376 -16.202 -6.966 97 HD21 ASN 12 1HD2 ASN 12 -11.986 -17.533 -5.142 98 HD22 ASN 12 2HD2 ASN 12 -13.640 -17.581 -4.647 99 H ALA 13 H ALA 13 -12.868 -14.863 -3.833 100 HA ALA 13 HA ALA 13 -11.690 -15.288 -1.444 101 HB1 ALA 13 1HB ALA 13 -13.823 -17.196 -1.678 102 HB2 ALA 13 2HB ALA 13 -13.780 -15.667 -0.799 103 HB3 ALA 13 3HB ALA 13 -14.252 -15.694 -2.497 104 H ALA 14 H ALA 14 -11.853 -17.544 -0.218 105 HA ALA 14 HA ALA 14 -9.670 -19.049 -0.844 106 HB1 ALA 14 1HB ALA 14 -10.780 -19.260 1.283 107 HB2 ALA 14 2HB ALA 14 -12.194 -19.983 0.515 108 HB3 ALA 14 3HB ALA 14 -10.660 -20.852 0.532 109 H THR 15 H THR 15 -9.434 -19.558 -3.001 110 HA THR 15 HA THR 15 -11.177 -21.715 -3.974 111 HB THR 15 HB THR 15 -11.916 -19.755 -5.167 112 HG1 THR 15 HG1 THR 15 -11.968 -21.062 -6.823 113 HG21 THR 15 1HG2 THR 15 -8.982 -19.300 -5.581 114 HG22 THR 15 2HG2 THR 15 -10.213 -18.175 -5.008 115 HG23 THR 15 3HG2 THR 15 -10.161 -18.635 -6.710 116 H GLY 16 H GLY 16 -9.953 -22.236 -6.367 117 HA2 GLY 16 2HA GLY 16 -7.426 -23.370 -5.448 118 HA3 GLY 16 3HA GLY 16 -8.294 -23.812 -6.910 119 H LYS 17 H LYS 17 -8.239 -20.516 -6.782 120 HA LYS 17 HA LYS 17 -5.589 -20.185 -7.939 121 HB2 LYS 17 2HB LYS 17 -6.232 -19.572 -10.062 122 HB3 LYS 17 3HB LYS 17 -7.426 -20.816 -9.716 123 HG2 LYS 17 2HG LYS 17 -7.914 -17.879 -9.290 124 HG3 LYS 17 3HG LYS 17 -8.327 -18.740 -10.775 125 HD2 LYS 17 2HD LYS 17 -9.311 -19.629 -8.076 126 HD3 LYS 17 3HD LYS 17 -10.182 -18.446 -9.054 127 HE2 LYS 17 2HE LYS 17 -11.209 -20.275 -9.878 128 HE3 LYS 17 3HE LYS 17 -9.768 -20.380 -10.888 129 HZ1 LYS 17 1HZ LYS 17 -9.100 -21.653 -8.552 130 HZ2 LYS 17 2HZ LYS 17 -9.470 -22.388 -10.029 131 HZ3 LYS 17 3HZ LYS 17 -10.681 -22.164 -8.869 132 H CYS 18 H CYS 18 -4.743 -18.227 -7.510 133 HA CYS 18 HA CYS 18 -6.278 -15.862 -7.180 134 HB2 CYS 18 2HB CYS 18 -6.968 -16.500 -5.065 135 HB3 CYS 18 3HB CYS 18 -5.494 -17.407 -4.743 136 H GLN 19 H GLN 19 -4.974 -14.328 -7.906 137 HA GLN 19 HA GLN 19 -2.554 -13.559 -6.881 138 HB2 GLN 19 2HB GLN 19 -1.096 -14.423 -8.899 139 HB3 GLN 19 3HB GLN 19 -1.324 -15.410 -7.461 140 HG2 GLN 19 2HG GLN 19 -2.497 -16.973 -8.558 141 HG3 GLN 19 3HG GLN 19 -3.344 -15.789 -9.553 142 HE21 GLN 19 1HE2 GLN 19 -1.225 -14.504 -10.744 143 HE22 GLN 19 2HE2 GLN 19 -0.400 -15.604 -11.790 144 H ARG 20 H ARG 20 -1.201 -13.066 -9.460 145 HA ARG 20 HA ARG 20 -3.141 -11.291 -10.768 146 HB2 ARG 20 2HB ARG 20 -1.800 -9.405 -10.607 147 HB3 ARG 20 3HB ARG 20 -1.561 -10.162 -9.037 148 HG2 ARG 20 2HG ARG 20 0.301 -10.245 -11.399 149 HG3 ARG 20 3HG ARG 20 0.554 -9.419 -9.860 150 HD2 ARG 20 2HD ARG 20 0.531 -12.368 -10.425 151 HD3 ARG 20 3HD ARG 20 1.822 -11.394 -9.721 152 HE ARG 20 HE ARG 20 -0.661 -11.585 -8.213 153 HH11 ARG 20 1HH1 ARG 20 2.622 -12.653 -8.666 154 HH12 ARG 20 2HH1 ARG 20 2.769 -13.303 -7.067 155 HH21 ARG 20 1HH2 ARG 20 -0.479 -12.436 -6.105 156 HH22 ARG 20 2HH2 ARG 20 1.004 -13.180 -5.611 157 H MET 21 H MET 21 -2.042 -10.302 -12.815 158 HA MET 21 HA MET 21 -1.256 -12.521 -14.450 159 HB2 MET 21 2HB MET 21 -2.123 -9.757 -14.855 160 HB3 MET 21 3HB MET 21 -0.884 -10.267 -15.994 161 HG2 MET 21 2HG MET 21 -3.305 -11.951 -15.494 162 HG3 MET 21 3HG MET 21 -3.351 -10.594 -16.617 163 HE1 MET 21 1HE MET 21 -1.591 -14.651 -16.878 164 HE2 MET 21 2HE MET 21 -2.811 -13.928 -15.829 165 HE3 MET 21 3HE MET 21 -3.233 -14.406 -17.473 166 H1 GLY 33 H GLY 33 -26.076 -22.439 -17.294 167 HA2 GLY 33 2HA GLY 33 -27.397 -24.303 -16.959 168 HA3 GLY 33 3HA GLY 33 -28.368 -23.806 -18.337 169 H SER 34 H SER 34 -24.972 -24.102 -18.812 170 HA SER 34 HA SER 34 -25.311 -26.776 -19.983 171 HB2 SER 34 2HB SER 34 -23.857 -24.497 -21.345 172 HB3 SER 34 3HB SER 34 -24.100 -26.123 -21.983 173 HG SER 34 HG SER 34 -25.613 -24.622 -22.827 174 H LYS 35 H LYS 35 -23.009 -24.255 -19.017 175 HA LYS 35 HA LYS 35 -21.287 -26.333 -17.890 176 HB2 LYS 35 2HB LYS 35 -20.150 -24.116 -19.592 177 HB3 LYS 35 3HB LYS 35 -19.297 -25.497 -18.917 178 HG2 LYS 35 2HG LYS 35 -19.534 -26.234 -21.044 179 HG3 LYS 35 3HG LYS 35 -21.061 -26.825 -20.385 180 HD2 LYS 35 2HD LYS 35 -21.957 -25.744 -22.147 181 HD3 LYS 35 3HD LYS 35 -21.766 -24.317 -21.125 182 HE2 LYS 35 2HE LYS 35 -19.464 -24.065 -22.159 183 HE3 LYS 35 3HE LYS 35 -19.962 -25.283 -23.331 184 HZ1 LYS 35 1HZ LYS 35 -20.417 -23.229 -24.323 185 HZ2 LYS 35 2HZ LYS 35 -21.092 -22.581 -22.914 186 HZ3 LYS 35 3HZ LYS 35 -21.923 -23.775 -23.778 187 H LYS 36 H LYS 36 -20.802 -25.826 -15.867 188 HA LYS 36 HA LYS 36 -20.259 -23.057 -15.141 189 HB2 LYS 36 2HB LYS 36 -22.183 -24.654 -13.467 190 HB3 LYS 36 3HB LYS 36 -21.838 -22.932 -13.389 191 HG2 LYS 36 2HG LYS 36 -23.870 -22.921 -14.434 192 HG3 LYS 36 3HG LYS 36 -22.785 -22.936 -15.827 193 HD2 LYS 36 2HD LYS 36 -24.019 -24.685 -16.506 194 HD3 LYS 36 3HD LYS 36 -23.079 -25.600 -15.324 195 HE2 LYS 36 2HE LYS 36 -25.586 -24.175 -14.516 196 HE3 LYS 36 3HE LYS 36 -25.662 -25.761 -15.282 197 HZ1 LYS 36 1HZ LYS 36 -23.749 -25.954 -13.298 198 HZ2 LYS 36 2HZ LYS 36 -25.299 -26.630 -13.292 199 HZ3 LYS 36 3HZ LYS 36 -25.038 -25.110 -12.599 200 HA PRO 37 HA PRO 37 -17.514 -26.292 -13.175 201 HB2 PRO 37 2HB PRO 37 -15.179 -25.218 -14.049 202 HB3 PRO 37 3HB PRO 37 -16.109 -26.390 -14.990 203 HG2 PRO 37 2HG PRO 37 -16.013 -23.409 -15.242 204 HG3 PRO 37 3HG PRO 37 -15.999 -24.640 -16.517 205 HD2 PRO 37 2HD PRO 37 -18.232 -23.266 -15.844 206 HD3 PRO 37 3HD PRO 37 -18.282 -24.942 -16.425 207 H VAL 38 H VAL 38 -16.884 -22.802 -13.538 208 HA VAL 38 HA VAL 38 -16.138 -22.725 -10.686 209 HB VAL 38 HB VAL 38 -14.333 -22.094 -12.309 210 HG11 VAL 38 1HG1 VAL 38 -14.457 -19.981 -13.467 211 HG12 VAL 38 2HG1 VAL 38 -15.820 -20.991 -13.951 212 HG13 VAL 38 3HG1 VAL 38 -16.061 -19.672 -12.804 213 HG21 VAL 38 1HG2 VAL 38 -14.443 -21.300 -9.944 214 HG22 VAL 38 2HG2 VAL 38 -13.560 -20.226 -11.028 215 HG23 VAL 38 3HG2 VAL 38 -15.203 -19.821 -10.531 216 HA PRO 39 HA PRO 39 -19.794 -20.295 -10.100 217 HB2 PRO 39 2HB PRO 39 -19.246 -19.473 -7.571 218 HB3 PRO 39 3HB PRO 39 -19.793 -21.110 -7.952 219 HG2 PRO 39 2HG PRO 39 -17.018 -20.113 -7.434 220 HG3 PRO 39 3HG PRO 39 -17.802 -21.594 -6.853 221 HD2 PRO 39 2HD PRO 39 -16.079 -21.581 -8.942 222 HD3 PRO 39 3HD PRO 39 -17.443 -22.713 -8.836 223 H ILE 40 H ILE 40 -16.563 -19.031 -9.462 224 HA ILE 40 HA ILE 40 -17.571 -16.309 -9.964 225 HB ILE 40 HB ILE 40 -15.811 -15.415 -8.693 226 HG12 ILE 40 2HG1 ILE 40 -14.215 -17.284 -9.738 227 HG13 ILE 40 3HG1 ILE 40 -13.777 -16.383 -8.291 228 HG21 ILE 40 1HG2 ILE 40 -17.491 -16.302 -7.255 229 HG22 ILE 40 2HG2 ILE 40 -16.816 -17.927 -7.374 230 HG23 ILE 40 3HG2 ILE 40 -15.927 -16.663 -6.524 231 HD11 ILE 40 1HD1 ILE 40 -13.503 -18.947 -8.326 232 HD12 ILE 40 2HD1 ILE 40 -14.191 -18.174 -6.897 233 HD13 ILE 40 3HD1 ILE 40 -15.246 -18.971 -8.063 234 H ILE 41 H ILE 41 -16.055 -14.855 -11.111 235 HA ILE 41 HA ILE 41 -14.351 -16.287 -13.036 236 HB ILE 41 HB ILE 41 -15.383 -15.468 -14.853 237 HG12 ILE 41 2HG1 ILE 41 -16.591 -12.991 -13.909 238 HG13 ILE 41 3HG1 ILE 41 -14.859 -13.044 -13.597 239 HG21 ILE 41 1HG2 ILE 41 -17.207 -16.404 -13.388 240 HG22 ILE 41 2HG2 ILE 41 -17.631 -14.740 -12.992 241 HG23 ILE 41 3HG2 ILE 41 -17.740 -15.304 -14.659 242 HD11 ILE 41 1HD1 ILE 41 -14.325 -13.086 -15.826 243 HD12 ILE 41 2HD1 ILE 41 -15.881 -13.770 -16.298 244 HD13 ILE 41 3HD1 ILE 41 -15.769 -12.074 -15.829 245 H TYR 42 H TYR 42 -12.946 -14.676 -14.286 246 HA TYR 42 HA TYR 42 -12.184 -12.373 -12.643 247 HB2 TYR 42 2HB TYR 42 -9.769 -13.015 -12.936 248 HB3 TYR 42 3HB TYR 42 -10.686 -14.073 -11.869 249 HD1 TYR 42 HD1 TYR 42 -11.598 -14.632 -15.238 250 HD2 TYR 42 HD2 TYR 42 -8.578 -15.526 -12.377 251 HE1 TYR 42 HE1 TYR 42 -10.911 -16.575 -16.580 252 HE2 TYR 42 HE2 TYR 42 -7.882 -17.471 -13.712 253 HH TYR 42 HH TYR 42 -9.719 -18.814 -16.101 254 H CYS 43 H CYS 43 -13.357 -11.404 -14.508 255 HA CYS 43 HA CYS 43 -11.696 -11.255 -16.929 256 HB2 CYS 43 2HB CYS 43 -13.942 -11.916 -17.444 257 HB3 CYS 43 3HB CYS 43 -14.611 -10.620 -16.457 258 H ASN 44 H ASN 44 -10.230 -9.677 -16.614 259 HA ASN 44 HA ASN 44 -11.070 -7.154 -15.401 260 HB2 ASN 44 2HB ASN 44 -9.049 -7.813 -14.445 261 HB3 ASN 44 3HB ASN 44 -8.412 -8.425 -15.970 262 HD21 ASN 44 1HD2 ASN 44 -7.937 -6.796 -17.636 263 HD22 ASN 44 2HD2 ASN 44 -7.321 -5.264 -17.127 264 H ALA 45 H ALA 45 -10.075 -5.141 -16.426 265 HA ALA 45 HA ALA 45 -11.228 -4.498 -18.780 266 HB1 ALA 45 1HB ALA 45 -8.880 -3.460 -17.328 267 HB2 ALA 45 2HB ALA 45 -9.033 -2.966 -19.014 268 HB3 ALA 45 3HB ALA 45 -10.337 -2.631 -17.875 269 H ALA 46 H ALA 46 -9.937 -3.821 -20.856 270 HA ALA 46 HA ALA 46 -9.386 -6.037 -22.355 271 HB1 ALA 46 1HB ALA 46 -8.177 -4.524 -23.909 272 HB2 ALA 46 2HB ALA 46 -9.743 -3.901 -23.390 273 HB3 ALA 46 3HB ALA 46 -8.261 -3.260 -22.682 274 H THR 47 H THR 47 -8.087 -7.560 -21.377 275 HA THR 47 HA THR 47 -5.223 -6.912 -21.330 276 HB THR 47 HB THR 47 -5.904 -6.852 -19.006 277 HG1 THR 47 HG1 THR 47 -4.107 -7.883 -18.618 278 HG21 THR 47 1HG2 THR 47 -7.180 -8.447 -17.930 279 HG22 THR 47 2HG2 THR 47 -6.764 -9.713 -19.086 280 HG23 THR 47 3HG2 THR 47 -7.911 -8.451 -19.534 281 H GLY 48 H GLY 48 -4.223 -9.349 -20.584 282 HA2 GLY 48 2HA GLY 48 -4.869 -10.946 -22.945 283 HA3 GLY 48 3HA GLY 48 -3.451 -11.128 -21.924 284 H LYS 49 H LYS 49 -6.554 -10.860 -20.426 285 HA LYS 49 HA LYS 49 -7.208 -13.622 -20.375 286 HB2 LYS 49 2HB LYS 49 -6.220 -14.398 -18.507 287 HB3 LYS 49 3HB LYS 49 -5.108 -13.052 -18.721 288 HG2 LYS 49 2HG LYS 49 -7.630 -12.697 -17.156 289 HG3 LYS 49 3HG LYS 49 -6.206 -13.433 -16.418 290 HD2 LYS 49 2HD LYS 49 -5.005 -11.322 -17.444 291 HD3 LYS 49 3HD LYS 49 -6.632 -10.642 -17.372 292 HE2 LYS 49 2HE LYS 49 -5.255 -11.935 -15.025 293 HE3 LYS 49 3HE LYS 49 -5.195 -10.205 -15.358 294 HZ1 LYS 49 1HZ LYS 49 -7.017 -10.149 -14.086 295 HZ2 LYS 49 2HZ LYS 49 -7.343 -11.798 -14.271 296 HZ3 LYS 49 3HZ LYS 49 -7.831 -10.702 -15.463 297 H CYS 50 H CYS 50 -9.311 -13.793 -19.929 298 HA CYS 50 HA CYS 50 -10.657 -12.348 -17.912 299 HB2 CYS 50 2HB CYS 50 -10.740 -10.388 -19.109 300 HB3 CYS 50 3HB CYS 50 -10.684 -11.210 -20.665 301 H GLN 51 H GLN 51 -11.971 -13.920 -17.277 302 HA GLN 51 HA GLN 51 -14.194 -14.789 -18.632 303 HB2 GLN 51 2HB GLN 51 -13.654 -16.977 -19.479 304 HB3 GLN 51 3HB GLN 51 -12.568 -15.808 -20.218 305 HG2 GLN 51 2HG GLN 51 -11.617 -17.124 -17.752 306 HG3 GLN 51 3HG GLN 51 -11.747 -18.129 -19.194 307 HE21 GLN 51 1HE2 GLN 51 -10.260 -15.269 -17.827 308 HE22 GLN 51 2HE2 GLN 51 -8.931 -15.200 -18.929 309 H ARG 52 H ARG 52 -13.793 -17.679 -17.805 310 HA ARG 52 HA ARG 52 -14.595 -17.295 -15.049 311 HB2 ARG 52 2HB ARG 52 -14.841 -19.410 -17.073 312 HB3 ARG 52 3HB ARG 52 -14.566 -20.005 -15.442 313 HG2 ARG 52 2HG ARG 52 -16.972 -19.753 -16.174 314 HG3 ARG 52 3HG ARG 52 -16.534 -19.014 -14.632 315 HD2 ARG 52 2HD ARG 52 -17.978 -17.647 -16.243 316 HD3 ARG 52 3HD ARG 52 -16.579 -16.855 -15.520 317 HE ARG 52 HE ARG 52 -15.415 -17.326 -17.665 318 HH11 ARG 52 1HH1 ARG 52 -18.892 -17.197 -17.545 319 HH12 ARG 52 2HH1 ARG 52 -19.065 -16.771 -19.215 320 HH21 ARG 52 1HH2 ARG 52 -15.629 -16.766 -19.866 321 HH22 ARG 52 2HH2 ARG 52 -17.208 -16.527 -20.535 322 H MET 53 H MET 53 -13.530 -18.020 -13.246 323 HA MET 53 HA MET 53 -10.689 -18.291 -13.456 324 HB2 MET 53 2HB MET 53 -12.291 -18.817 -10.965 325 HB3 MET 53 3HB MET 53 -10.649 -18.203 -11.100 326 HG2 MET 53 2HG MET 53 -11.806 -16.205 -12.315 327 HG3 MET 53 3HG MET 53 -13.240 -16.785 -11.472 328 HE1 MET 53 1HE MET 53 -9.520 -14.922 -10.487 329 HE2 MET 53 2HE MET 53 -9.367 -16.181 -9.262 330 HE3 MET 53 3HE MET 53 -9.585 -16.621 -10.957 Start of MODEL 17 1 H1 GLY 1 H GLY 1 4.481 1.182 -1.776 2 HA2 GLY 1 2HA GLY 1 3.263 -0.920 -0.487 3 HA3 GLY 1 3HA GLY 1 2.955 -1.201 -2.195 4 H SER 2 H SER 2 4.202 -3.063 -2.289 5 HA SER 2 HA SER 2 7.105 -2.613 -2.056 6 HB2 SER 2 2HB SER 2 5.685 -5.238 -1.557 7 HB3 SER 2 3HB SER 2 7.398 -4.896 -1.319 8 HG SER 2 HG SER 2 6.486 -4.705 0.664 9 H LYS 3 H LYS 3 4.572 -4.514 -3.656 10 HA LYS 3 HA LYS 3 6.133 -4.420 -6.126 11 HB2 LYS 3 2HB LYS 3 4.877 -6.992 -5.169 12 HB3 LYS 3 3HB LYS 3 5.922 -6.761 -6.565 13 HG2 LYS 3 2HG LYS 3 7.426 -7.647 -5.117 14 HG3 LYS 3 3HG LYS 3 7.617 -5.940 -4.711 15 HD2 LYS 3 2HD LYS 3 7.238 -6.588 -2.600 16 HD3 LYS 3 3HD LYS 3 5.545 -6.702 -3.087 17 HE2 LYS 3 2HE LYS 3 5.967 -8.768 -2.103 18 HE3 LYS 3 3HE LYS 3 6.141 -9.093 -3.827 19 HZ1 LYS 3 1HZ LYS 3 8.431 -8.473 -2.048 20 HZ2 LYS 3 2HZ LYS 3 8.488 -9.056 -3.634 21 HZ3 LYS 3 3HZ LYS 3 7.919 -10.049 -2.388 22 H LYS 4 H LYS 4 4.888 -3.721 -7.723 23 HA LYS 4 HA LYS 4 2.105 -4.569 -7.889 24 HB2 LYS 4 2HB LYS 4 2.759 -1.642 -8.141 25 HB3 LYS 4 3HB LYS 4 1.178 -2.399 -7.995 26 HG2 LYS 4 2HG LYS 4 1.449 -1.547 -5.892 27 HG3 LYS 4 3HG LYS 4 2.095 -3.175 -5.672 28 HD2 LYS 4 2HD LYS 4 3.882 -2.126 -4.809 29 HD3 LYS 4 3HD LYS 4 4.307 -1.803 -6.492 30 HE2 LYS 4 2HE LYS 4 2.610 0.243 -6.007 31 HE3 LYS 4 3HE LYS 4 3.300 0.014 -4.401 32 HZ1 LYS 4 1HZ LYS 4 4.782 1.467 -5.330 33 HZ2 LYS 4 2HZ LYS 4 4.623 0.833 -6.890 34 HZ3 LYS 4 3HZ LYS 4 5.523 -0.002 -5.727 35 HA PRO 5 HA PRO 5 4.453 -4.357 -11.928 36 HB2 PRO 5 2HB PRO 5 3.983 -6.935 -12.637 37 HB3 PRO 5 3HB PRO 5 5.369 -6.446 -11.655 38 HG2 PRO 5 2HG PRO 5 2.755 -7.622 -10.791 39 HG3 PRO 5 3HG PRO 5 4.394 -8.007 -10.233 40 HD2 PRO 5 2HD PRO 5 2.716 -6.407 -8.833 41 HD3 PRO 5 3HD PRO 5 4.477 -6.184 -8.825 42 H VAL 6 H VAL 6 1.457 -6.158 -11.223 43 HA VAL 6 HA VAL 6 0.264 -4.936 -13.628 44 HB VAL 6 HB VAL 6 0.597 -7.456 -13.681 45 HG11 VAL 6 1HG1 VAL 6 -1.716 -7.423 -11.748 46 HG12 VAL 6 2HG1 VAL 6 -0.934 -8.841 -12.449 47 HG13 VAL 6 3HG1 VAL 6 -0.054 -7.818 -11.311 48 HG21 VAL 6 1HG2 VAL 6 -1.063 -6.066 -15.033 49 HG22 VAL 6 2HG2 VAL 6 -1.377 -7.797 -14.905 50 HG23 VAL 6 3HG2 VAL 6 -2.290 -6.660 -13.914 51 HA PRO 7 HA PRO 7 -2.506 -3.014 -10.748 52 HB2 PRO 7 2HB PRO 7 -4.220 -1.993 -12.589 53 HB3 PRO 7 3HB PRO 7 -2.630 -1.294 -12.266 54 HG2 PRO 7 2HG PRO 7 -3.479 -3.128 -14.474 55 HG3 PRO 7 3HG PRO 7 -2.441 -1.692 -14.549 56 HD2 PRO 7 2HD PRO 7 -1.445 -4.210 -14.522 57 HD3 PRO 7 3HD PRO 7 -0.589 -2.837 -13.791 58 H ILE 8 H ILE 8 -3.433 -5.361 -13.154 59 HA ILE 8 HA ILE 8 -5.982 -5.823 -11.763 60 HB ILE 8 HB ILE 8 -6.871 -6.740 -13.693 61 HG12 ILE 8 2HG1 ILE 8 -4.064 -7.489 -14.253 62 HG13 ILE 8 3HG1 ILE 8 -5.547 -8.403 -14.508 63 HG21 ILE 8 1HG2 ILE 8 -4.895 -4.795 -14.863 64 HG22 ILE 8 2HG2 ILE 8 -6.520 -5.163 -15.437 65 HG23 ILE 8 3HG2 ILE 8 -6.297 -4.306 -13.912 66 HD11 ILE 8 1HD1 ILE 8 -4.605 -7.985 -16.633 67 HD12 ILE 8 2HD1 ILE 8 -5.998 -6.915 -16.475 68 HD13 ILE 8 3HD1 ILE 8 -4.367 -6.276 -16.268 69 H ILE 9 H ILE 9 -6.422 -7.733 -10.790 70 HA ILE 9 HA ILE 9 -4.510 -9.937 -11.096 71 HB ILE 9 HB ILE 9 -3.944 -10.092 -8.914 72 HG12 ILE 9 2HG1 ILE 9 -6.123 -8.656 -7.588 73 HG13 ILE 9 3HG1 ILE 9 -6.676 -10.039 -8.525 74 HG21 ILE 9 1HG2 ILE 9 -3.382 -7.784 -9.629 75 HG22 ILE 9 2HG2 ILE 9 -4.869 -7.225 -8.866 76 HG23 ILE 9 3HG2 ILE 9 -3.594 -7.947 -7.886 77 HD11 ILE 9 1HD1 ILE 9 -5.986 -10.283 -6.011 78 HD12 ILE 9 2HD1 ILE 9 -5.607 -11.544 -7.184 79 HD13 ILE 9 3HD1 ILE 9 -4.364 -10.394 -6.694 80 H TYR 10 H TYR 10 -5.390 -11.923 -9.822 81 HA TYR 10 HA TYR 10 -8.315 -12.055 -9.993 82 HB2 TYR 10 2HB TYR 10 -7.940 -14.401 -11.031 83 HB3 TYR 10 3HB TYR 10 -7.804 -12.987 -12.071 84 HD1 TYR 10 HD1 TYR 10 -6.479 -14.248 -13.696 85 HD2 TYR 10 HD2 TYR 10 -5.147 -13.747 -9.686 86 HE1 TYR 10 HE1 TYR 10 -4.220 -14.956 -14.364 87 HE2 TYR 10 HE2 TYR 10 -2.884 -14.451 -10.344 88 HH TYR 10 HH TYR 10 -2.142 -16.091 -12.909 89 H CYS 11 H CYS 11 -7.919 -11.902 -7.633 90 HA CYS 11 HA CYS 11 -7.210 -14.527 -6.495 91 HB2 CYS 11 2HB CYS 11 -5.642 -12.865 -5.732 92 HB3 CYS 11 3HB CYS 11 -6.945 -11.764 -5.300 93 H ASN 12 H ASN 12 -9.087 -15.571 -6.206 94 HA ASN 12 HA ASN 12 -11.412 -14.113 -5.200 95 HB2 ASN 12 2HB ASN 12 -12.084 -15.464 -6.975 96 HB3 ASN 12 3HB ASN 12 -11.015 -16.783 -6.508 97 HD21 ASN 12 1HD2 ASN 12 -11.561 -17.899 -4.474 98 HD22 ASN 12 2HD2 ASN 12 -13.231 -18.120 -4.093 99 H ALA 13 H ALA 13 -12.780 -15.356 -3.567 100 HA ALA 13 HA ALA 13 -11.664 -15.435 -1.115 101 HB1 ALA 13 1HB ALA 13 -13.481 -16.920 -0.400 102 HB2 ALA 13 2HB ALA 13 -14.057 -15.643 -1.473 103 HB3 ALA 13 3HB ALA 13 -13.841 -17.281 -2.089 104 H ALA 14 H ALA 14 -11.530 -17.521 0.323 105 HA ALA 14 HA ALA 14 -9.186 -18.828 -0.171 106 HB1 ALA 14 1HB ALA 14 -10.224 -18.906 1.995 107 HB2 ALA 14 2HB ALA 14 -11.571 -19.852 1.361 108 HB3 ALA 14 3HB ALA 14 -9.956 -20.557 1.432 109 H THR 15 H THR 15 -8.922 -19.563 -2.259 110 HA THR 15 HA THR 15 -10.368 -22.036 -2.898 111 HB THR 15 HB THR 15 -11.447 -20.323 -4.239 112 HG1 THR 15 HG1 THR 15 -11.262 -21.411 -6.131 113 HG21 THR 15 1HG2 THR 15 -9.271 -18.875 -4.192 114 HG22 THR 15 2HG2 THR 15 -10.361 -18.778 -5.575 115 HG23 THR 15 3HG2 THR 15 -8.890 -19.744 -5.677 116 H GLY 16 H GLY 16 -9.189 -22.660 -5.281 117 HA2 GLY 16 2HA GLY 16 -6.467 -23.254 -4.407 118 HA3 GLY 16 3HA GLY 16 -7.322 -24.019 -5.738 119 H LYS 17 H LYS 17 -7.266 -20.558 -5.437 120 HA LYS 17 HA LYS 17 -4.965 -20.113 -7.056 121 HB2 LYS 17 2HB LYS 17 -5.800 -20.163 -9.126 122 HB3 LYS 17 3HB LYS 17 -7.270 -20.860 -8.460 123 HG2 LYS 17 2HG LYS 17 -6.945 -17.905 -8.406 124 HG3 LYS 17 3HG LYS 17 -7.336 -18.694 -9.936 125 HD2 LYS 17 2HD LYS 17 -9.224 -19.847 -8.690 126 HD3 LYS 17 3HD LYS 17 -8.912 -18.715 -7.372 127 HE2 LYS 17 2HE LYS 17 -9.573 -17.935 -10.211 128 HE3 LYS 17 3HE LYS 17 -10.727 -17.972 -8.878 129 HZ1 LYS 17 1HZ LYS 17 -8.389 -16.454 -8.247 130 HZ2 LYS 17 2HZ LYS 17 -10.018 -16.011 -8.148 131 HZ3 LYS 17 3HZ LYS 17 -9.185 -15.846 -9.611 132 H CYS 18 H CYS 18 -4.275 -18.075 -6.782 133 HA CYS 18 HA CYS 18 -5.969 -15.825 -6.510 134 HB2 CYS 18 2HB CYS 18 -6.523 -16.526 -4.330 135 HB3 CYS 18 3HB CYS 18 -4.880 -17.060 -3.991 136 H GLN 19 H GLN 19 -4.802 -14.271 -7.407 137 HA GLN 19 HA GLN 19 -2.437 -13.227 -6.512 138 HB2 GLN 19 2HB GLN 19 -0.935 -14.147 -8.465 139 HB3 GLN 19 3HB GLN 19 -1.078 -15.031 -6.951 140 HG2 GLN 19 2HG GLN 19 -2.139 -16.759 -7.907 141 HG3 GLN 19 3HG GLN 19 -3.073 -15.726 -8.987 142 HE21 GLN 19 1HE2 GLN 19 -1.062 -14.389 -10.297 143 HE22 GLN 19 2HE2 GLN 19 -0.159 -15.505 -11.258 144 H ARG 20 H ARG 20 -1.153 -12.823 -9.121 145 HA ARG 20 HA ARG 20 -3.253 -11.356 -10.559 146 HB2 ARG 20 2HB ARG 20 -2.075 -9.353 -10.587 147 HB3 ARG 20 3HB ARG 20 -1.785 -9.939 -8.954 148 HG2 ARG 20 2HG ARG 20 0.096 -10.073 -11.298 149 HG3 ARG 20 3HG ARG 20 0.267 -9.099 -9.836 150 HD2 ARG 20 2HD ARG 20 0.492 -12.079 -10.142 151 HD3 ARG 20 3HD ARG 20 1.695 -10.943 -9.531 152 HE ARG 20 HE ARG 20 -0.770 -11.206 -8.005 153 HH11 ARG 20 1HH1 ARG 20 2.593 -12.030 -8.370 154 HH12 ARG 20 2HH1 ARG 20 2.786 -12.521 -6.720 155 HH21 ARG 20 1HH2 ARG 20 -0.528 -11.849 -5.830 156 HH22 ARG 20 2HH2 ARG 20 1.011 -12.418 -5.276 157 H MET 21 H MET 21 -2.230 -10.437 -12.689 158 HA MET 21 HA MET 21 -1.317 -12.704 -14.170 159 HB2 MET 21 2HB MET 21 -2.264 -9.993 -14.754 160 HB3 MET 21 3HB MET 21 -1.016 -10.555 -15.859 161 HG2 MET 21 2HG MET 21 -3.293 -12.365 -15.257 162 HG3 MET 21 3HG MET 21 -3.565 -10.987 -16.320 163 HE1 MET 21 1HE MET 21 -1.724 -10.314 -17.884 164 HE2 MET 21 2HE MET 21 -0.620 -11.398 -18.730 165 HE3 MET 21 3HE MET 21 -2.294 -11.249 -19.266 166 H1 GLY 33 H GLY 33 -25.549 -19.655 -18.132 167 HA2 GLY 33 2HA GLY 33 -27.641 -20.727 -17.968 168 HA3 GLY 33 3HA GLY 33 -28.139 -19.933 -19.454 169 H SER 34 H SER 34 -25.049 -21.454 -19.416 170 HA SER 34 HA SER 34 -26.137 -23.854 -20.710 171 HB2 SER 34 2HB SER 34 -24.099 -23.607 -22.319 172 HB3 SER 34 3HB SER 34 -25.553 -22.658 -22.628 173 HG SER 34 HG SER 34 -23.717 -21.344 -22.748 174 H LYS 35 H LYS 35 -23.252 -22.266 -19.391 175 HA LYS 35 HA LYS 35 -22.516 -24.791 -18.110 176 HB2 LYS 35 2HB LYS 35 -20.519 -23.112 -19.635 177 HB3 LYS 35 3HB LYS 35 -20.206 -24.631 -18.805 178 HG2 LYS 35 2HG LYS 35 -20.431 -25.508 -20.854 179 HG3 LYS 35 3HG LYS 35 -22.158 -25.396 -20.506 180 HD2 LYS 35 2HD LYS 35 -22.183 -23.165 -21.587 181 HD3 LYS 35 3HD LYS 35 -20.485 -23.386 -22.013 182 HE2 LYS 35 2HE LYS 35 -22.538 -25.417 -22.805 183 HE3 LYS 35 3HE LYS 35 -22.311 -23.952 -23.759 184 HZ1 LYS 35 1HZ LYS 35 -20.996 -25.995 -24.435 185 HZ2 LYS 35 2HZ LYS 35 -20.045 -25.719 -23.064 186 HZ3 LYS 35 3HZ LYS 35 -20.131 -24.549 -24.282 187 H LYS 36 H LYS 36 -22.167 -24.454 -16.024 188 HA LYS 36 HA LYS 36 -20.775 -22.068 -15.125 189 HB2 LYS 36 2HB LYS 36 -22.515 -21.556 -13.426 190 HB3 LYS 36 3HB LYS 36 -23.060 -21.293 -15.077 191 HG2 LYS 36 2HG LYS 36 -23.616 -23.908 -13.761 192 HG3 LYS 36 3HG LYS 36 -24.593 -22.498 -13.345 193 HD2 LYS 36 2HD LYS 36 -24.880 -22.201 -15.881 194 HD3 LYS 36 3HD LYS 36 -24.286 -23.859 -16.004 195 HE2 LYS 36 2HE LYS 36 -26.497 -23.259 -14.099 196 HE3 LYS 36 3HE LYS 36 -26.861 -23.340 -15.822 197 HZ1 LYS 36 1HZ LYS 36 -25.657 -25.564 -15.746 198 HZ2 LYS 36 2HZ LYS 36 -27.196 -25.494 -15.047 199 HZ3 LYS 36 3HZ LYS 36 -25.819 -25.473 -14.064 200 HA PRO 37 HA PRO 37 -19.852 -26.045 -12.843 201 HB2 PRO 37 2HB PRO 37 -17.176 -25.989 -13.293 202 HB3 PRO 37 3HB PRO 37 -18.322 -26.742 -14.408 203 HG2 PRO 37 2HG PRO 37 -17.039 -24.041 -14.550 204 HG3 PRO 37 3HG PRO 37 -17.298 -25.226 -15.843 205 HD2 PRO 37 2HD PRO 37 -18.902 -23.072 -15.499 206 HD3 PRO 37 3HD PRO 37 -19.502 -24.618 -16.131 207 H VAL 38 H VAL 38 -17.828 -23.111 -12.994 208 HA VAL 38 HA VAL 38 -17.545 -23.244 -10.066 209 HB VAL 38 HB VAL 38 -15.435 -23.305 -11.415 210 HG11 VAL 38 1HG1 VAL 38 -16.046 -20.418 -12.016 211 HG12 VAL 38 2HG1 VAL 38 -14.664 -21.367 -12.567 212 HG13 VAL 38 3HG1 VAL 38 -16.281 -21.728 -13.172 213 HG21 VAL 38 1HG2 VAL 38 -15.692 -22.401 -9.039 214 HG22 VAL 38 2HG2 VAL 38 -14.235 -21.949 -9.924 215 HG23 VAL 38 3HG2 VAL 38 -15.563 -20.799 -9.766 216 HA PRO 39 HA PRO 39 -20.203 -19.692 -9.920 217 HB2 PRO 39 2HB PRO 39 -19.899 -19.190 -7.269 218 HB3 PRO 39 3HB PRO 39 -20.906 -20.504 -7.889 219 HG2 PRO 39 2HG PRO 39 -18.114 -20.602 -6.814 220 HG3 PRO 39 3HG PRO 39 -19.468 -21.709 -6.515 221 HD2 PRO 39 2HD PRO 39 -17.483 -22.274 -8.268 222 HD3 PRO 39 3HD PRO 39 -19.152 -22.832 -8.503 223 H ILE 40 H ILE 40 -16.862 -19.759 -8.927 224 HA ILE 40 HA ILE 40 -16.750 -16.826 -8.915 225 HB ILE 40 HB ILE 40 -14.834 -16.920 -7.640 226 HG12 ILE 40 2HG1 ILE 40 -14.339 -19.423 -9.135 227 HG13 ILE 40 3HG1 ILE 40 -13.221 -18.143 -8.679 228 HG21 ILE 40 1HG2 ILE 40 -16.044 -19.548 -6.824 229 HG22 ILE 40 2HG2 ILE 40 -15.260 -18.341 -5.807 230 HG23 ILE 40 3HG2 ILE 40 -16.835 -18.001 -6.522 231 HD11 ILE 40 1HD1 ILE 40 -14.201 -20.418 -6.982 232 HD12 ILE 40 2HD1 ILE 40 -12.557 -20.109 -7.542 233 HD13 ILE 40 3HD1 ILE 40 -13.296 -19.045 -6.345 234 H ILE 41 H ILE 41 -15.504 -15.682 -10.334 235 HA ILE 41 HA ILE 41 -13.941 -17.170 -12.321 236 HB ILE 41 HB ILE 41 -15.103 -16.499 -14.120 237 HG12 ILE 41 2HG1 ILE 41 -16.345 -14.009 -13.264 238 HG13 ILE 41 3HG1 ILE 41 -14.600 -13.985 -13.035 239 HG21 ILE 41 1HG2 ILE 41 -17.234 -15.789 -12.111 240 HG22 ILE 41 2HG2 ILE 41 -17.474 -16.301 -13.780 241 HG23 ILE 41 3HG2 ILE 41 -16.823 -17.434 -12.596 242 HD11 ILE 41 1HD1 ILE 41 -15.658 -14.948 -15.633 243 HD12 ILE 41 2HD1 ILE 41 -15.709 -13.219 -15.289 244 HD13 ILE 41 3HD1 ILE 41 -14.169 -14.077 -15.266 245 H TYR 42 H TYR 42 -12.668 -15.586 -13.735 246 HA TYR 42 HA TYR 42 -11.907 -13.167 -12.267 247 HB2 TYR 42 2HB TYR 42 -9.464 -13.826 -12.850 248 HB3 TYR 42 3HB TYR 42 -10.233 -14.570 -11.453 249 HD1 TYR 42 HD1 TYR 42 -11.235 -15.629 -14.790 250 HD2 TYR 42 HD2 TYR 42 -8.605 -16.411 -11.538 251 HE1 TYR 42 HE1 TYR 42 -10.758 -17.856 -15.719 252 HE2 TYR 42 HE2 TYR 42 -8.120 -18.640 -12.459 253 HH TYR 42 HH TYR 42 -9.289 -19.621 -15.610 254 H CYS 43 H CYS 43 -13.209 -12.334 -14.105 255 HA CYS 43 HA CYS 43 -11.653 -12.227 -16.603 256 HB2 CYS 43 2HB CYS 43 -13.840 -13.106 -17.021 257 HB3 CYS 43 3HB CYS 43 -14.600 -11.829 -16.077 258 H ASN 44 H ASN 44 -10.345 -10.503 -16.490 259 HA ASN 44 HA ASN 44 -11.346 -8.004 -15.348 260 HB2 ASN 44 2HB ASN 44 -9.223 -8.426 -14.484 261 HB3 ASN 44 3HB ASN 44 -8.617 -9.060 -16.011 262 HD21 ASN 44 1HD2 ASN 44 -8.355 -7.501 -17.773 263 HD22 ASN 44 2HD2 ASN 44 -7.868 -5.890 -17.381 264 H ALA 45 H ALA 45 -10.583 -5.969 -16.530 265 HA ALA 45 HA ALA 45 -11.924 -5.550 -18.834 266 HB1 ALA 45 1HB ALA 45 -9.623 -3.985 -19.154 267 HB2 ALA 45 2HB ALA 45 -11.145 -3.519 -18.394 268 HB3 ALA 45 3HB ALA 45 -9.837 -4.181 -17.414 269 H ALA 46 H ALA 46 -10.827 -4.891 -21.021 270 HA ALA 46 HA ALA 46 -10.181 -7.136 -22.437 271 HB1 ALA 46 1HB ALA 46 -10.791 -5.099 -23.552 272 HB2 ALA 46 2HB ALA 46 -9.325 -4.299 -22.986 273 HB3 ALA 46 3HB ALA 46 -9.215 -5.620 -24.149 274 H THR 47 H THR 47 -8.693 -8.487 -21.480 275 HA THR 47 HA THR 47 -5.901 -7.597 -21.659 276 HB THR 47 HB THR 47 -6.434 -7.461 -19.301 277 HG1 THR 47 HG1 THR 47 -4.417 -8.218 -19.405 278 HG21 THR 47 1HG2 THR 47 -7.062 -10.386 -19.206 279 HG22 THR 47 2HG2 THR 47 -8.333 -9.223 -19.583 280 HG23 THR 47 3HG2 THR 47 -7.466 -9.117 -18.050 281 H GLY 48 H GLY 48 -4.646 -9.896 -20.855 282 HA2 GLY 48 2HA GLY 48 -5.270 -11.662 -23.092 283 HA3 GLY 48 3HA GLY 48 -3.805 -11.689 -22.122 284 H LYS 49 H LYS 49 -6.862 -11.574 -20.513 285 HA LYS 49 HA LYS 49 -7.297 -14.373 -20.305 286 HB2 LYS 49 2HB LYS 49 -6.098 -14.968 -18.512 287 HB3 LYS 49 3HB LYS 49 -5.229 -13.449 -18.697 288 HG2 LYS 49 2HG LYS 49 -7.783 -13.485 -17.163 289 HG3 LYS 49 3HG LYS 49 -6.309 -14.098 -16.412 290 HD2 LYS 49 2HD LYS 49 -5.194 -11.958 -16.908 291 HD3 LYS 49 3HD LYS 49 -6.700 -11.350 -17.599 292 HE2 LYS 49 2HE LYS 49 -7.231 -10.630 -15.561 293 HE3 LYS 49 3HE LYS 49 -7.415 -12.320 -15.092 294 HZ1 LYS 49 1HZ LYS 49 -4.933 -10.704 -14.869 295 HZ2 LYS 49 2HZ LYS 49 -5.065 -12.342 -14.469 296 HZ3 LYS 49 3HZ LYS 49 -5.929 -11.184 -13.589 297 H CYS 50 H CYS 50 -9.350 -14.717 -19.705 298 HA CYS 50 HA CYS 50 -10.732 -13.184 -17.765 299 HB2 CYS 50 2HB CYS 50 -11.033 -11.413 -19.224 300 HB3 CYS 50 3HB CYS 50 -11.078 -12.454 -20.643 301 H GLN 51 H GLN 51 -11.847 -14.778 -16.861 302 HA GLN 51 HA GLN 51 -14.026 -16.034 -17.945 303 HB2 GLN 51 2HB GLN 51 -13.282 -18.263 -18.537 304 HB3 GLN 51 3HB GLN 51 -12.445 -17.078 -19.530 305 HG2 GLN 51 2HG GLN 51 -10.952 -17.652 -17.136 306 HG3 GLN 51 3HG GLN 51 -11.314 -19.128 -18.030 307 HE21 GLN 51 1HE2 GLN 51 -9.792 -15.982 -18.192 308 HE22 GLN 51 2HE2 GLN 51 -8.767 -16.333 -19.537 309 H ARG 52 H ARG 52 -13.044 -18.753 -16.813 310 HA ARG 52 HA ARG 52 -12.975 -18.044 -13.970 311 HB2 ARG 52 2HB ARG 52 -14.822 -19.329 -13.383 312 HB3 ARG 52 3HB ARG 52 -15.347 -18.568 -14.878 313 HG2 ARG 52 2HG ARG 52 -14.367 -21.389 -14.518 314 HG3 ARG 52 3HG ARG 52 -16.003 -20.861 -14.922 315 HD2 ARG 52 2HD ARG 52 -13.527 -20.753 -16.621 316 HD3 ARG 52 3HD ARG 52 -15.047 -21.583 -16.951 317 HE ARG 52 HE ARG 52 -15.095 -18.671 -16.762 318 HH11 ARG 52 1HH1 ARG 52 -15.188 -21.538 -18.734 319 HH12 ARG 52 2HH1 ARG 52 -15.828 -20.721 -20.121 320 HH21 ARG 52 1HH2 ARG 52 -15.938 -17.584 -18.581 321 HH22 ARG 52 2HH2 ARG 52 -16.254 -18.471 -20.033 322 H MET 53 H MET 53 -12.753 -20.205 -12.654 323 HA MET 53 HA MET 53 -10.868 -21.969 -14.071 324 HB2 MET 53 2HB MET 53 -9.464 -22.060 -12.099 325 HB3 MET 53 3HB MET 53 -9.667 -20.386 -12.596 326 HG2 MET 53 2HG MET 53 -10.140 -19.995 -10.459 327 HG3 MET 53 3HG MET 53 -11.713 -20.703 -10.821 328 HE1 MET 53 1HE MET 53 -11.826 -22.479 -7.751 329 HE2 MET 53 2HE MET 53 -12.521 -21.458 -9.010 330 HE3 MET 53 3HE MET 53 -12.461 -23.207 -9.227 Start of MODEL 18 1 H1 GLY 1 H GLY 1 0.744 -0.452 -1.062 2 HA2 GLY 1 2HA GLY 1 0.990 0.811 -3.310 3 HA3 GLY 1 3HA GLY 1 1.441 2.144 -2.257 4 H SER 2 H SER 2 2.255 -1.308 -2.065 5 HA SER 2 HA SER 2 5.084 -0.542 -1.946 6 HB2 SER 2 2HB SER 2 4.478 -3.352 -1.420 7 HB3 SER 2 3HB SER 2 5.361 -2.188 -0.432 8 HG SER 2 HG SER 2 3.113 -3.123 0.201 9 H LYS 3 H LYS 3 2.905 -2.858 -3.520 10 HA LYS 3 HA LYS 3 4.717 -2.925 -5.814 11 HB2 LYS 3 2HB LYS 3 4.357 -5.433 -5.951 12 HB3 LYS 3 3HB LYS 3 5.435 -4.874 -4.678 13 HG2 LYS 3 2HG LYS 3 2.703 -5.034 -3.752 14 HG3 LYS 3 3HG LYS 3 3.265 -6.576 -4.400 15 HD2 LYS 3 2HD LYS 3 4.939 -4.995 -2.476 16 HD3 LYS 3 3HD LYS 3 3.666 -6.077 -1.906 17 HE2 LYS 3 2HE LYS 3 5.283 -7.393 -3.884 18 HE3 LYS 3 3HE LYS 3 6.302 -6.740 -2.602 19 HZ1 LYS 3 1HZ LYS 3 4.007 -7.986 -1.506 20 HZ2 LYS 3 2HZ LYS 3 5.640 -8.340 -1.242 21 HZ3 LYS 3 3HZ LYS 3 4.815 -9.064 -2.530 22 H LYS 4 H LYS 4 3.602 -2.543 -7.603 23 HA LYS 4 HA LYS 4 0.933 -3.664 -7.932 24 HB2 LYS 4 2HB LYS 4 1.370 -0.741 -8.502 25 HB3 LYS 4 3HB LYS 4 -0.150 -1.620 -8.411 26 HG2 LYS 4 2HG LYS 4 -0.179 -0.494 -6.423 27 HG3 LYS 4 3HG LYS 4 0.569 -2.014 -5.928 28 HD2 LYS 4 2HD LYS 4 2.162 -0.704 -5.042 29 HD3 LYS 4 3HD LYS 4 2.739 -0.552 -6.703 30 HE2 LYS 4 2HE LYS 4 0.607 1.300 -5.763 31 HE3 LYS 4 3HE LYS 4 2.257 1.569 -5.204 32 HZ1 LYS 4 1HZ LYS 4 1.147 1.801 -7.901 33 HZ2 LYS 4 2HZ LYS 4 2.752 1.290 -7.754 34 HZ3 LYS 4 3HZ LYS 4 2.277 2.781 -7.111 35 HA PRO 5 HA PRO 5 3.688 -3.724 -11.711 36 HB2 PRO 5 2HB PRO 5 3.509 -6.402 -12.119 37 HB3 PRO 5 3HB PRO 5 4.734 -5.669 -11.077 38 HG2 PRO 5 2HG PRO 5 2.145 -6.973 -10.330 39 HG3 PRO 5 3HG PRO 5 3.737 -7.130 -9.566 40 HD2 PRO 5 2HD PRO 5 1.791 -5.538 -8.562 41 HD3 PRO 5 3HD PRO 5 3.517 -5.150 -8.408 42 H VAL 6 H VAL 6 0.828 -5.777 -11.116 43 HA VAL 6 HA VAL 6 -0.226 -4.901 -13.728 44 HB VAL 6 HB VAL 6 0.410 -7.355 -13.538 45 HG11 VAL 6 1HG1 VAL 6 -2.078 -7.468 -11.837 46 HG12 VAL 6 2HG1 VAL 6 -1.087 -8.832 -12.358 47 HG13 VAL 6 3HG1 VAL 6 -0.433 -7.646 -11.228 48 HG21 VAL 6 1HG2 VAL 6 -2.510 -6.958 -14.116 49 HG22 VAL 6 2HG2 VAL 6 -1.255 -6.285 -15.156 50 HG23 VAL 6 3HG2 VAL 6 -1.363 -8.029 -14.919 51 HA PRO 7 HA PRO 7 -3.509 -3.151 -11.315 52 HB2 PRO 7 2HB PRO 7 -5.124 -2.499 -13.398 53 HB3 PRO 7 3HB PRO 7 -3.674 -1.577 -12.981 54 HG2 PRO 7 2HG PRO 7 -4.049 -3.664 -15.094 55 HG3 PRO 7 3HG PRO 7 -3.191 -2.115 -15.191 56 HD2 PRO 7 2HD PRO 7 -1.906 -4.474 -14.847 57 HD3 PRO 7 3HD PRO 7 -1.308 -2.951 -14.158 58 H ILE 8 H ILE 8 -3.876 -5.769 -13.588 59 HA ILE 8 HA ILE 8 -6.470 -6.469 -12.386 60 HB ILE 8 HB ILE 8 -7.090 -7.564 -14.322 61 HG12 ILE 8 2HG1 ILE 8 -4.186 -8.039 -14.608 62 HG13 ILE 8 3HG1 ILE 8 -5.542 -9.114 -14.933 63 HG21 ILE 8 1HG2 ILE 8 -6.775 -6.054 -16.125 64 HG22 ILE 8 2HG2 ILE 8 -6.748 -5.094 -14.646 65 HG23 ILE 8 3HG2 ILE 8 -5.239 -5.488 -15.469 66 HD11 ILE 8 1HD1 ILE 8 -5.961 -7.786 -17.016 67 HD12 ILE 8 2HD1 ILE 8 -4.431 -6.964 -16.710 68 HD13 ILE 8 3HD1 ILE 8 -4.456 -8.705 -16.991 69 H ILE 9 H ILE 9 -6.770 -8.409 -11.394 70 HA ILE 9 HA ILE 9 -4.556 -10.334 -11.398 71 HB ILE 9 HB ILE 9 -4.220 -10.346 -9.160 72 HG12 ILE 9 2HG1 ILE 9 -6.693 -9.136 -8.155 73 HG13 ILE 9 3HG1 ILE 9 -6.958 -10.628 -9.051 74 HG21 ILE 9 1HG2 ILE 9 -4.222 -8.140 -8.222 75 HG22 ILE 9 2HG2 ILE 9 -3.870 -8.013 -9.945 76 HG23 ILE 9 3HG2 ILE 9 -5.479 -7.615 -9.342 77 HD11 ILE 9 1HD1 ILE 9 -4.846 -10.564 -6.959 78 HD12 ILE 9 2HD1 ILE 9 -6.539 -10.662 -6.475 79 HD13 ILE 9 3HD1 ILE 9 -5.846 -11.905 -7.516 80 H TYR 10 H TYR 10 -5.300 -12.369 -10.097 81 HA TYR 10 HA TYR 10 -8.143 -12.915 -10.561 82 HB2 TYR 10 2HB TYR 10 -7.353 -15.220 -11.442 83 HB3 TYR 10 3HB TYR 10 -7.294 -13.838 -12.530 84 HD1 TYR 10 HD1 TYR 10 -4.830 -14.145 -9.854 85 HD2 TYR 10 HD2 TYR 10 -5.648 -14.961 -13.949 86 HE1 TYR 10 HE1 TYR 10 -2.437 -14.559 -10.243 87 HE2 TYR 10 HE2 TYR 10 -3.257 -15.379 -14.349 88 HH TYR 10 HH TYR 10 -1.153 -16.131 -12.301 89 H CYS 11 H CYS 11 -7.998 -12.614 -8.179 90 HA CYS 11 HA CYS 11 -7.185 -15.128 -6.874 91 HB2 CYS 11 2HB CYS 11 -5.717 -13.315 -6.163 92 HB3 CYS 11 3HB CYS 11 -7.109 -12.328 -5.731 93 H ASN 12 H ASN 12 -9.026 -16.224 -6.582 94 HA ASN 12 HA ASN 12 -11.424 -14.781 -5.708 95 HB2 ASN 12 2HB ASN 12 -12.702 -16.624 -6.467 96 HB3 ASN 12 3HB ASN 12 -11.463 -16.381 -7.695 97 HD21 ASN 12 1HD2 ASN 12 -12.195 -18.254 -4.791 98 HD22 ASN 12 2HD2 ASN 12 -11.349 -19.678 -5.283 99 H ALA 13 H ALA 13 -12.850 -16.527 -4.331 100 HA ALA 13 HA ALA 13 -12.080 -16.416 -1.752 101 HB1 ALA 13 1HB ALA 13 -13.580 -18.699 -3.029 102 HB2 ALA 13 2HB ALA 13 -13.531 -18.353 -1.300 103 HB3 ALA 13 3HB ALA 13 -14.274 -17.201 -2.410 104 H ALA 14 H ALA 14 -11.527 -18.342 -0.275 105 HA ALA 14 HA ALA 14 -8.890 -19.071 -0.627 106 HB1 ALA 14 1HB ALA 14 -9.884 -19.192 1.539 107 HB2 ALA 14 2HB ALA 14 -11.040 -20.412 1.002 108 HB3 ALA 14 3HB ALA 14 -9.325 -20.810 1.114 109 H THR 15 H THR 15 -8.501 -19.873 -2.694 110 HA THR 15 HA THR 15 -9.423 -22.637 -3.130 111 HB THR 15 HB THR 15 -10.605 -21.227 -4.712 112 HG1 THR 15 HG1 THR 15 -9.638 -22.164 -6.688 113 HG21 THR 15 1HG2 THR 15 -7.886 -20.088 -5.166 114 HG22 THR 15 2HG2 THR 15 -9.440 -19.268 -5.021 115 HG23 THR 15 3HG2 THR 15 -9.029 -20.123 -6.508 116 H GLY 16 H GLY 16 -7.949 -23.255 -5.355 117 HA2 GLY 16 2HA GLY 16 -5.305 -23.513 -4.198 118 HA3 GLY 16 3HA GLY 16 -5.887 -24.294 -5.660 119 H LYS 17 H LYS 17 -6.776 -21.251 -6.162 120 HA LYS 17 HA LYS 17 -4.159 -20.340 -7.137 121 HB2 LYS 17 2HB LYS 17 -4.756 -20.370 -9.297 122 HB3 LYS 17 3HB LYS 17 -6.088 -21.406 -8.802 123 HG2 LYS 17 2HG LYS 17 -6.385 -18.435 -8.719 124 HG3 LYS 17 3HG LYS 17 -6.566 -19.313 -10.240 125 HD2 LYS 17 2HD LYS 17 -8.065 -20.750 -8.366 126 HD3 LYS 17 3HD LYS 17 -8.414 -19.050 -8.042 127 HE2 LYS 17 2HE LYS 17 -8.394 -19.831 -10.882 128 HE3 LYS 17 3HE LYS 17 -9.685 -20.535 -9.909 129 HZ1 LYS 17 1HZ LYS 17 -10.078 -18.279 -11.036 130 HZ2 LYS 17 2HZ LYS 17 -9.130 -17.642 -9.789 131 HZ3 LYS 17 3HZ LYS 17 -10.562 -18.466 -9.426 132 H CYS 18 H CYS 18 -3.757 -18.248 -6.754 133 HA CYS 18 HA CYS 18 -5.757 -16.231 -6.686 134 HB2 CYS 18 2HB CYS 18 -6.437 -16.895 -4.567 135 HB3 CYS 18 3HB CYS 18 -4.820 -17.412 -4.099 136 H GLN 19 H GLN 19 -4.715 -14.562 -7.527 137 HA GLN 19 HA GLN 19 -2.630 -13.177 -6.439 138 HB2 GLN 19 2HB GLN 19 -0.801 -13.930 -8.171 139 HB3 GLN 19 3HB GLN 19 -0.995 -14.782 -6.645 140 HG2 GLN 19 2HG GLN 19 -1.699 -16.669 -7.634 141 HG3 GLN 19 3HG GLN 19 -2.624 -15.806 -8.862 142 HE21 GLN 19 1HE2 GLN 19 -0.661 -14.242 -9.984 143 HE22 GLN 19 2HE2 GLN 19 0.491 -15.252 -10.783 144 H ARG 20 H ARG 20 -1.125 -12.701 -8.930 145 HA ARG 20 HA ARG 20 -3.232 -11.559 -10.630 146 HB2 ARG 20 2HB ARG 20 -2.304 -9.429 -10.641 147 HB3 ARG 20 3HB ARG 20 -2.109 -9.916 -8.963 148 HG2 ARG 20 2HG ARG 20 -0.004 -9.899 -11.111 149 HG3 ARG 20 3HG ARG 20 -0.094 -8.863 -9.685 150 HD2 ARG 20 2HD ARG 20 0.505 -11.804 -9.829 151 HD3 ARG 20 3HD ARG 20 1.509 -10.512 -9.173 152 HE ARG 20 HE ARG 20 -1.039 -10.996 -7.854 153 HH11 ARG 20 1HH1 ARG 20 2.411 -11.463 -7.893 154 HH12 ARG 20 2HH1 ARG 20 2.506 -11.870 -6.212 155 HH21 ARG 20 1HH2 ARG 20 -0.927 -11.531 -5.639 156 HH22 ARG 20 2HH2 ARG 20 0.607 -11.910 -4.931 157 H MET 21 H MET 21 -2.156 -10.629 -12.709 158 HA MET 21 HA MET 21 -0.868 -12.802 -14.009 159 HB2 MET 21 2HB MET 21 -2.009 -10.228 -14.756 160 HB3 MET 21 3HB MET 21 -0.556 -10.603 -15.673 161 HG2 MET 21 2HG MET 21 -2.776 -12.591 -15.385 162 HG3 MET 21 3HG MET 21 -2.815 -11.334 -16.619 163 HE1 MET 21 1HE MET 21 -0.672 -15.248 -16.611 164 HE2 MET 21 2HE MET 21 -1.741 -14.542 -15.398 165 HE3 MET 21 3HE MET 21 -2.376 -14.984 -16.984 166 H1 GLY 33 H GLY 33 -26.507 -15.452 -18.341 167 HA2 GLY 33 2HA GLY 33 -27.235 -17.594 -16.491 168 HA3 GLY 33 3HA GLY 33 -28.339 -16.674 -17.502 169 H SER 34 H SER 34 -25.392 -18.379 -18.470 170 HA SER 34 HA SER 34 -27.061 -20.256 -20.007 171 HB2 SER 34 2HB SER 34 -25.673 -18.231 -21.193 172 HB3 SER 34 3HB SER 34 -24.477 -19.526 -21.231 173 HG SER 34 HG SER 34 -25.555 -20.302 -22.844 174 H LYS 35 H LYS 35 -23.829 -19.592 -18.702 175 HA LYS 35 HA LYS 35 -23.597 -22.417 -17.982 176 HB2 LYS 35 2HB LYS 35 -21.199 -22.385 -18.769 177 HB3 LYS 35 3HB LYS 35 -22.410 -22.392 -20.043 178 HG2 LYS 35 2HG LYS 35 -21.645 -19.703 -19.265 179 HG3 LYS 35 3HG LYS 35 -20.275 -20.666 -19.823 180 HD2 LYS 35 2HD LYS 35 -22.742 -20.851 -21.436 181 HD3 LYS 35 3HD LYS 35 -21.902 -19.299 -21.473 182 HE2 LYS 35 2HE LYS 35 -20.089 -20.152 -22.546 183 HE3 LYS 35 3HE LYS 35 -20.246 -21.734 -21.785 184 HZ1 LYS 35 1HZ LYS 35 -22.408 -21.085 -23.571 185 HZ2 LYS 35 2HZ LYS 35 -21.480 -22.495 -23.464 186 HZ3 LYS 35 3HZ LYS 35 -20.903 -21.168 -24.340 187 H LYS 36 H LYS 36 -23.054 -22.578 -15.917 188 HA LYS 36 HA LYS 36 -21.114 -20.755 -14.753 189 HB2 LYS 36 2HB LYS 36 -22.588 -20.242 -12.819 190 HB3 LYS 36 3HB LYS 36 -23.163 -19.552 -14.332 191 HG2 LYS 36 2HG LYS 36 -24.201 -22.204 -13.457 192 HG3 LYS 36 3HG LYS 36 -24.813 -20.735 -12.693 193 HD2 LYS 36 2HD LYS 36 -25.194 -19.883 -15.082 194 HD3 LYS 36 3HD LYS 36 -24.977 -21.564 -15.576 195 HE2 LYS 36 2HE LYS 36 -27.185 -21.737 -15.224 196 HE3 LYS 36 3HE LYS 36 -26.746 -21.816 -13.518 197 HZ1 LYS 36 1HZ LYS 36 -28.232 -20.127 -13.440 198 HZ2 LYS 36 2HZ LYS 36 -27.945 -19.626 -15.030 199 HZ3 LYS 36 3HZ LYS 36 -26.859 -19.208 -13.802 200 HA PRO 37 HA PRO 37 -20.955 -25.207 -13.329 201 HB2 PRO 37 2HB PRO 37 -18.365 -25.614 -14.033 202 HB3 PRO 37 3HB PRO 37 -19.715 -25.881 -15.142 203 HG2 PRO 37 2HG PRO 37 -17.879 -23.527 -14.926 204 HG3 PRO 37 3HG PRO 37 -18.471 -24.354 -16.378 205 HD2 PRO 37 2HD PRO 37 -19.535 -22.028 -15.490 206 HD3 PRO 37 3HD PRO 37 -20.500 -23.262 -16.325 207 H VAL 38 H VAL 38 -18.561 -22.598 -13.079 208 HA VAL 38 HA VAL 38 -18.149 -23.357 -10.260 209 HB VAL 38 HB VAL 38 -16.179 -23.742 -11.883 210 HG11 VAL 38 1HG1 VAL 38 -15.902 -20.763 -11.517 211 HG12 VAL 38 2HG1 VAL 38 -14.804 -21.836 -12.386 212 HG13 VAL 38 3HG1 VAL 38 -16.427 -21.541 -13.009 213 HG21 VAL 38 1HG2 VAL 38 -14.589 -23.212 -10.169 214 HG22 VAL 38 2HG2 VAL 38 -15.681 -22.025 -9.455 215 HG23 VAL 38 3HG2 VAL 38 -16.081 -23.741 -9.392 216 HA PRO 39 HA PRO 39 -19.608 -19.258 -9.440 217 HB2 PRO 39 2HB PRO 39 -18.938 -19.181 -6.810 218 HB3 PRO 39 3HB PRO 39 -20.323 -20.093 -7.423 219 HG2 PRO 39 2HG PRO 39 -17.584 -21.063 -6.704 220 HG3 PRO 39 3HG PRO 39 -19.159 -21.796 -6.349 221 HD2 PRO 39 2HD PRO 39 -17.577 -22.654 -8.371 222 HD3 PRO 39 3HD PRO 39 -19.349 -22.713 -8.455 223 H ILE 40 H ILE 40 -16.343 -20.333 -8.798 224 HA ILE 40 HA ILE 40 -15.429 -17.546 -8.623 225 HB ILE 40 HB ILE 40 -13.442 -18.299 -7.610 226 HG12 ILE 40 2HG1 ILE 40 -14.146 -20.878 -8.901 227 HG13 ILE 40 3HG1 ILE 40 -12.578 -20.098 -8.726 228 HG21 ILE 40 1HG2 ILE 40 -15.458 -20.219 -6.485 229 HG22 ILE 40 2HG2 ILE 40 -14.197 -19.323 -5.639 230 HG23 ILE 40 3HG2 ILE 40 -15.607 -18.474 -6.274 231 HD11 ILE 40 1HD1 ILE 40 -14.055 -21.793 -6.750 232 HD12 ILE 40 2HD1 ILE 40 -12.440 -22.022 -7.421 233 HD13 ILE 40 3HD1 ILE 40 -12.738 -20.727 -6.262 234 H ILE 41 H ILE 41 -14.476 -16.633 -10.315 235 HA ILE 41 HA ILE 41 -13.062 -18.315 -12.254 236 HB ILE 41 HB ILE 41 -14.284 -17.742 -14.057 237 HG12 ILE 41 2HG1 ILE 41 -15.532 -15.229 -13.250 238 HG13 ILE 41 3HG1 ILE 41 -13.775 -15.169 -13.159 239 HG21 ILE 41 1HG2 ILE 41 -15.906 -18.624 -12.390 240 HG22 ILE 41 2HG2 ILE 41 -16.345 -16.961 -12.004 241 HG23 ILE 41 3HG2 ILE 41 -16.638 -17.596 -13.622 242 HD11 ILE 41 1HD1 ILE 41 -13.516 -15.439 -15.419 243 HD12 ILE 41 2HD1 ILE 41 -15.070 -16.252 -15.610 244 HD13 ILE 41 3HD1 ILE 41 -15.013 -14.509 -15.349 245 H TYR 42 H TYR 42 -11.907 -16.828 -13.907 246 HA TYR 42 HA TYR 42 -10.999 -14.339 -12.660 247 HB2 TYR 42 2HB TYR 42 -8.619 -15.061 -13.382 248 HB3 TYR 42 3HB TYR 42 -9.285 -15.731 -11.897 249 HD1 TYR 42 HD1 TYR 42 -7.667 -17.584 -12.027 250 HD2 TYR 42 HD2 TYR 42 -10.555 -16.943 -15.084 251 HE1 TYR 42 HE1 TYR 42 -7.268 -19.859 -12.872 252 HE2 TYR 42 HE2 TYR 42 -10.165 -19.216 -15.938 253 HH TYR 42 HH TYR 42 -9.313 -21.389 -15.065 254 H CYS 43 H CYS 43 -12.437 -13.599 -14.434 255 HA CYS 43 HA CYS 43 -10.995 -13.552 -17.005 256 HB2 CYS 43 2HB CYS 43 -13.099 -14.744 -17.242 257 HB3 CYS 43 3HB CYS 43 -13.973 -13.411 -16.495 258 H ASN 44 H ASN 44 -9.913 -11.671 -16.994 259 HA ASN 44 HA ASN 44 -11.279 -9.251 -16.055 260 HB2 ASN 44 2HB ASN 44 -9.194 -9.348 -15.013 261 HB3 ASN 44 3HB ASN 44 -8.397 -9.991 -16.447 262 HD21 ASN 44 1HD2 ASN 44 -8.149 -8.530 -18.274 263 HD22 ASN 44 2HD2 ASN 44 -7.916 -6.845 -17.971 264 H ALA 45 H ALA 45 -10.649 -7.219 -17.335 265 HA ALA 45 HA ALA 45 -11.856 -7.112 -19.743 266 HB1 ALA 45 1HB ALA 45 -10.830 -5.217 -18.352 267 HB2 ALA 45 2HB ALA 45 -9.370 -5.495 -19.302 268 HB3 ALA 45 3HB ALA 45 -10.869 -5.029 -20.106 269 H ALA 46 H ALA 46 -10.655 -6.467 -21.895 270 HA ALA 46 HA ALA 46 -9.710 -8.718 -23.114 271 HB1 ALA 46 1HB ALA 46 -9.059 -5.849 -23.765 272 HB2 ALA 46 2HB ALA 46 -8.721 -7.212 -24.831 273 HB3 ALA 46 3HB ALA 46 -10.386 -6.817 -24.406 274 H THR 47 H THR 47 -8.204 -9.877 -21.947 275 HA THR 47 HA THR 47 -5.486 -8.765 -21.974 276 HB THR 47 HB THR 47 -6.211 -8.539 -19.678 277 HG1 THR 47 HG1 THR 47 -4.710 -10.322 -18.800 278 HG21 THR 47 1HG2 THR 47 -6.601 -11.481 -19.377 279 HG22 THR 47 2HG2 THR 47 -7.921 -10.511 -20.031 280 HG23 THR 47 3HG2 THR 47 -7.273 -10.153 -18.431 281 H GLY 48 H GLY 48 -4.107 -10.888 -20.950 282 HA2 GLY 48 2HA GLY 48 -4.433 -12.842 -23.096 283 HA3 GLY 48 3HA GLY 48 -3.028 -12.666 -22.054 284 H LYS 49 H LYS 49 -6.195 -12.755 -20.651 285 HA LYS 49 HA LYS 49 -6.334 -15.567 -20.241 286 HB2 LYS 49 2HB LYS 49 -5.362 -15.876 -18.230 287 HB3 LYS 49 3HB LYS 49 -4.479 -14.406 -18.621 288 HG2 LYS 49 2HG LYS 49 -7.103 -14.317 -17.175 289 HG3 LYS 49 3HG LYS 49 -5.578 -14.572 -16.323 290 HD2 LYS 49 2HD LYS 49 -5.015 -12.428 -17.945 291 HD3 LYS 49 3HD LYS 49 -6.695 -12.137 -17.487 292 HE2 LYS 49 2HE LYS 49 -4.740 -12.924 -15.380 293 HE3 LYS 49 3HE LYS 49 -4.706 -11.272 -15.996 294 HZ1 LYS 49 1HZ LYS 49 -6.760 -12.626 -14.417 295 HZ2 LYS 49 2HZ LYS 49 -7.278 -11.484 -15.551 296 HZ3 LYS 49 3HZ LYS 49 -6.203 -11.031 -14.326 297 H CYS 50 H CYS 50 -8.377 -16.109 -19.767 298 HA CYS 50 HA CYS 50 -10.090 -14.599 -18.090 299 HB2 CYS 50 2HB CYS 50 -10.375 -13.014 -19.794 300 HB3 CYS 50 3HB CYS 50 -10.349 -14.236 -21.062 301 H GLN 51 H GLN 51 -11.265 -16.129 -17.165 302 HA GLN 51 HA GLN 51 -13.093 -17.779 -18.340 303 HB2 GLN 51 2HB GLN 51 -11.751 -20.014 -18.093 304 HB3 GLN 51 3HB GLN 51 -11.632 -19.071 -19.572 305 HG2 GLN 51 2HG GLN 51 -9.465 -18.626 -19.263 306 HG3 GLN 51 3HG GLN 51 -9.667 -18.347 -17.534 307 HE21 GLN 51 1HE2 GLN 51 -10.704 -20.762 -16.735 308 HE22 GLN 51 2HE2 GLN 51 -9.518 -21.999 -16.953 309 H ARG 52 H ARG 52 -12.549 -20.214 -16.822 310 HA ARG 52 HA ARG 52 -12.509 -19.252 -14.058 311 HB2 ARG 52 2HB ARG 52 -14.588 -20.088 -13.479 312 HB3 ARG 52 3HB ARG 52 -14.896 -19.459 -15.092 313 HG2 ARG 52 2HG ARG 52 -14.452 -22.329 -14.309 314 HG3 ARG 52 3HG ARG 52 -15.942 -21.593 -14.901 315 HD2 ARG 52 2HD ARG 52 -13.404 -22.165 -16.399 316 HD3 ARG 52 3HD ARG 52 -15.039 -22.723 -16.751 317 HE ARG 52 HE ARG 52 -14.552 -19.855 -16.902 318 HH11 ARG 52 1HH1 ARG 52 -14.952 -22.890 -18.561 319 HH12 ARG 52 2HH1 ARG 52 -15.297 -22.156 -20.093 320 HH21 ARG 52 1HH2 ARG 52 -15.006 -18.878 -18.913 321 HH22 ARG 52 2HH2 ARG 52 -15.327 -19.874 -20.291 322 H MET 53 H MET 53 -12.742 -21.280 -12.547 323 HA MET 53 HA MET 53 -11.033 -23.408 -13.659 324 HB2 MET 53 2HB MET 53 -10.977 -22.038 -10.986 325 HB3 MET 53 3HB MET 53 -10.317 -23.657 -11.178 326 HG2 MET 53 2HG MET 53 -9.080 -22.459 -13.214 327 HG3 MET 53 3HG MET 53 -9.307 -21.063 -12.162 328 HE1 MET 53 1HE MET 53 -6.516 -21.903 -13.059 329 HE2 MET 53 2HE MET 53 -5.601 -22.995 -12.018 330 HE3 MET 53 3HE MET 53 -6.811 -23.641 -13.128 Start of MODEL 19 1 H1 GLY 1 H GLY 1 3.791 -0.466 -1.647 2 HA2 GLY 1 2HA GLY 1 5.052 0.298 -3.488 3 HA3 GLY 1 3HA GLY 1 6.157 1.089 -2.374 4 H SER 2 H SER 2 5.030 -2.230 -3.044 5 HA SER 2 HA SER 2 7.826 -3.116 -2.781 6 HB2 SER 2 2HB SER 2 6.551 -4.229 -1.125 7 HB3 SER 2 3HB SER 2 5.218 -4.530 -2.239 8 HG SER 2 HG SER 2 7.607 -5.900 -1.909 9 H LYS 3 H LYS 3 4.967 -4.570 -4.310 10 HA LYS 3 HA LYS 3 6.294 -4.449 -6.913 11 HB2 LYS 3 2HB LYS 3 5.749 -6.859 -7.311 12 HB3 LYS 3 3HB LYS 3 6.998 -6.593 -6.101 13 HG2 LYS 3 2HG LYS 3 4.557 -6.649 -4.713 14 HG3 LYS 3 3HG LYS 3 4.513 -7.987 -5.863 15 HD2 LYS 3 2HD LYS 3 7.031 -7.614 -4.354 16 HD3 LYS 3 3HD LYS 3 5.633 -8.175 -3.434 17 HE2 LYS 3 2HE LYS 3 5.553 -9.718 -5.716 18 HE3 LYS 3 3HE LYS 3 7.279 -9.580 -5.384 19 HZ1 LYS 3 1HZ LYS 3 5.879 -11.458 -4.291 20 HZ2 LYS 3 2HZ LYS 3 5.451 -10.251 -3.186 21 HZ3 LYS 3 3HZ LYS 3 7.077 -10.668 -3.395 22 H LYS 4 H LYS 4 4.905 -3.743 -8.382 23 HA LYS 4 HA LYS 4 2.121 -4.601 -8.300 24 HB2 LYS 4 2HB LYS 4 2.741 -1.668 -8.582 25 HB3 LYS 4 3HB LYS 4 1.182 -2.432 -8.303 26 HG2 LYS 4 2HG LYS 4 1.636 -1.600 -6.224 27 HG3 LYS 4 3HG LYS 4 2.304 -3.227 -6.079 28 HD2 LYS 4 2HD LYS 4 4.159 -2.181 -5.370 29 HD3 LYS 4 3HD LYS 4 4.429 -1.838 -7.080 30 HE2 LYS 4 2HE LYS 4 2.752 0.186 -6.379 31 HE3 LYS 4 3HE LYS 4 3.660 -0.045 -4.885 32 HZ1 LYS 4 1HZ LYS 4 4.995 0.240 -7.511 33 HZ2 LYS 4 2HZ LYS 4 5.674 0.398 -5.970 34 HZ3 LYS 4 3HZ LYS 4 4.608 1.577 -6.550 35 HA PRO 5 HA PRO 5 4.088 -4.343 -12.535 36 HB2 PRO 5 2HB PRO 5 3.566 -6.917 -13.221 37 HB3 PRO 5 3HB PRO 5 5.034 -6.429 -12.366 38 HG2 PRO 5 2HG PRO 5 2.516 -7.627 -11.275 39 HG3 PRO 5 3HG PRO 5 4.201 -8.007 -10.874 40 HD2 PRO 5 2HD PRO 5 2.652 -6.428 -9.312 41 HD3 PRO 5 3HD PRO 5 4.405 -6.196 -9.463 42 H VAL 6 H VAL 6 1.201 -6.238 -11.629 43 HA VAL 6 HA VAL 6 -0.209 -5.021 -13.914 44 HB VAL 6 HB VAL 6 0.053 -7.514 -13.980 45 HG11 VAL 6 1HG1 VAL 6 -1.931 -7.514 -11.713 46 HG12 VAL 6 2HG1 VAL 6 -1.168 -8.908 -12.481 47 HG13 VAL 6 3HG1 VAL 6 -0.204 -7.801 -11.502 48 HG21 VAL 6 1HG2 VAL 6 -1.840 -6.142 -15.027 49 HG22 VAL 6 2HG2 VAL 6 -2.084 -7.881 -14.862 50 HG23 VAL 6 3HG2 VAL 6 -2.844 -6.772 -13.721 51 HA PRO 7 HA PRO 7 -2.654 -2.945 -10.845 52 HB2 PRO 7 2HB PRO 7 -4.471 -1.888 -12.564 53 HB3 PRO 7 3HB PRO 7 -2.836 -1.242 -12.377 54 HG2 PRO 7 2HG PRO 7 -3.918 -3.074 -14.482 55 HG3 PRO 7 3HG PRO 7 -2.840 -1.678 -14.661 56 HD2 PRO 7 2HD PRO 7 -1.933 -4.229 -14.670 57 HD3 PRO 7 3HD PRO 7 -0.975 -2.877 -14.031 58 H ILE 8 H ILE 8 -3.840 -5.296 -13.127 59 HA ILE 8 HA ILE 8 -6.323 -5.612 -11.594 60 HB ILE 8 HB ILE 8 -7.316 -6.583 -13.428 61 HG12 ILE 8 2HG1 ILE 8 -4.592 -7.596 -13.975 62 HG13 ILE 8 3HG1 ILE 8 -6.146 -8.410 -14.115 63 HG21 ILE 8 1HG2 ILE 8 -5.233 -4.910 -14.814 64 HG22 ILE 8 2HG2 ILE 8 -6.896 -5.203 -15.319 65 HG23 ILE 8 3HG2 ILE 8 -6.569 -4.231 -13.885 66 HD11 ILE 8 1HD1 ILE 8 -4.874 -6.535 -16.086 67 HD12 ILE 8 2HD1 ILE 8 -5.216 -8.254 -16.287 68 HD13 ILE 8 3HD1 ILE 8 -6.542 -7.095 -16.203 69 H ILE 9 H ILE 9 -6.845 -7.496 -10.565 70 HA ILE 9 HA ILE 9 -4.942 -9.725 -10.711 71 HB ILE 9 HB ILE 9 -4.366 -9.702 -8.544 72 HG12 ILE 9 2HG1 ILE 9 -6.628 -8.442 -7.221 73 HG13 ILE 9 3HG1 ILE 9 -7.130 -9.811 -8.207 74 HG21 ILE 9 1HG2 ILE 9 -4.232 -7.515 -7.541 75 HG22 ILE 9 2HG2 ILE 9 -3.977 -7.373 -9.280 76 HG23 ILE 9 3HG2 ILE 9 -5.530 -6.922 -8.577 77 HD11 ILE 9 1HD1 ILE 9 -6.041 -11.321 -6.904 78 HD12 ILE 9 2HD1 ILE 9 -4.800 -10.170 -6.409 79 HD13 ILE 9 3HD1 ILE 9 -6.410 -10.095 -5.692 80 H TYR 10 H TYR 10 -5.844 -11.674 -9.481 81 HA TYR 10 HA TYR 10 -8.769 -11.785 -9.574 82 HB2 TYR 10 2HB TYR 10 -8.441 -14.110 -10.691 83 HB3 TYR 10 3HB TYR 10 -8.367 -12.664 -11.692 84 HD1 TYR 10 HD1 TYR 10 -7.129 -13.914 -13.410 85 HD2 TYR 10 HD2 TYR 10 -5.577 -13.426 -9.478 86 HE1 TYR 10 HE1 TYR 10 -4.902 -14.583 -14.212 87 HE2 TYR 10 HE2 TYR 10 -3.346 -14.092 -10.270 88 HH TYR 10 HH TYR 10 -2.114 -14.694 -12.012 89 H CYS 11 H CYS 11 -8.286 -11.708 -7.229 90 HA CYS 11 HA CYS 11 -7.448 -14.329 -6.181 91 HB2 CYS 11 2HB CYS 11 -6.043 -12.598 -5.309 92 HB3 CYS 11 3HB CYS 11 -7.430 -11.586 -4.918 93 H ASN 12 H ASN 12 -9.232 -15.546 -5.979 94 HA ASN 12 HA ASN 12 -11.691 -14.343 -4.953 95 HB2 ASN 12 2HB ASN 12 -12.217 -15.663 -6.800 96 HB3 ASN 12 3HB ASN 12 -11.044 -16.905 -6.372 97 HD21 ASN 12 1HD2 ASN 12 -11.521 -18.191 -4.444 98 HD22 ASN 12 2HD2 ASN 12 -13.171 -18.560 -4.087 99 H ALA 13 H ALA 13 -12.972 -15.803 -3.416 100 HA ALA 13 HA ALA 13 -11.889 -15.890 -0.944 101 HB1 ALA 13 1HB ALA 13 -14.206 -16.992 -2.185 102 HB2 ALA 13 2HB ALA 13 -13.541 -18.178 -1.062 103 HB3 ALA 13 3HB ALA 13 -13.954 -16.561 -0.494 104 H ALA 14 H ALA 14 -11.588 -18.021 0.398 105 HA ALA 14 HA ALA 14 -9.128 -19.091 -0.129 106 HB1 ALA 14 1HB ALA 14 -11.417 -20.375 1.354 107 HB2 ALA 14 2HB ALA 14 -9.745 -20.935 1.409 108 HB3 ALA 14 3HB ALA 14 -10.161 -19.337 2.028 109 H THR 15 H THR 15 -8.788 -19.736 -2.233 110 HA THR 15 HA THR 15 -10.037 -22.287 -2.975 111 HB THR 15 HB THR 15 -11.217 -20.625 -4.284 112 HG1 THR 15 HG1 THR 15 -11.063 -21.977 -5.895 113 HG21 THR 15 1HG2 THR 15 -10.231 -18.947 -5.545 114 HG22 THR 15 2HG2 THR 15 -8.673 -19.771 -5.610 115 HG23 THR 15 3HG2 THR 15 -9.197 -18.991 -4.118 116 H GLY 16 H GLY 16 -8.774 -22.720 -5.369 117 HA2 GLY 16 2HA GLY 16 -6.039 -23.181 -4.458 118 HA3 GLY 16 3HA GLY 16 -6.813 -23.926 -5.849 119 H LYS 17 H LYS 17 -7.073 -20.505 -5.446 120 HA LYS 17 HA LYS 17 -4.734 -19.764 -6.878 121 HB2 LYS 17 2HB LYS 17 -5.385 -19.778 -9.022 122 HB3 LYS 17 3HB LYS 17 -6.717 -20.803 -8.503 123 HG2 LYS 17 2HG LYS 17 -7.006 -17.840 -8.350 124 HG3 LYS 17 3HG LYS 17 -7.170 -18.657 -9.906 125 HD2 LYS 17 2HD LYS 17 -8.865 -20.161 -8.837 126 HD3 LYS 17 3HD LYS 17 -8.789 -19.129 -7.407 127 HE2 LYS 17 2HE LYS 17 -9.438 -18.098 -10.160 128 HE3 LYS 17 3HE LYS 17 -10.667 -18.639 -9.017 129 HZ1 LYS 17 1HZ LYS 17 -10.602 -16.429 -8.539 130 HZ2 LYS 17 2HZ LYS 17 -8.966 -16.257 -8.930 131 HZ3 LYS 17 3HZ LYS 17 -9.414 -16.964 -7.460 132 H CYS 18 H CYS 18 -4.318 -17.674 -6.497 133 HA CYS 18 HA CYS 18 -6.280 -15.638 -6.379 134 HB2 CYS 18 2HB CYS 18 -7.004 -16.272 -4.281 135 HB3 CYS 18 3HB CYS 18 -5.432 -16.913 -3.816 136 H GLN 19 H GLN 19 -5.151 -14.064 -7.299 137 HA GLN 19 HA GLN 19 -3.099 -12.664 -6.147 138 HB2 GLN 19 2HB GLN 19 -1.082 -13.392 -7.278 139 HB3 GLN 19 3HB GLN 19 -1.766 -14.732 -6.368 140 HG2 GLN 19 2HG GLN 19 -2.782 -14.696 -9.062 141 HG3 GLN 19 3HG GLN 19 -1.019 -14.712 -9.048 142 HE21 GLN 19 1HE2 GLN 19 -3.905 -16.390 -8.002 143 HE22 GLN 19 2HE2 GLN 19 -3.156 -17.927 -7.756 144 H ARG 20 H ARG 20 -1.573 -12.650 -8.853 145 HA ARG 20 HA ARG 20 -3.591 -11.277 -10.477 146 HB2 ARG 20 2HB ARG 20 -2.393 -9.296 -10.670 147 HB3 ARG 20 3HB ARG 20 -2.159 -9.711 -8.978 148 HG2 ARG 20 2HG ARG 20 -0.209 -10.113 -11.233 149 HG3 ARG 20 3HG ARG 20 -0.075 -8.978 -9.888 150 HD2 ARG 20 2HD ARG 20 0.137 -11.973 -9.843 151 HD3 ARG 20 3HD ARG 20 1.327 -10.780 -9.324 152 HE ARG 20 HE ARG 20 -1.201 -10.906 -7.870 153 HH11 ARG 20 1HH1 ARG 20 2.208 -11.601 -7.999 154 HH12 ARG 20 2HH1 ARG 20 2.353 -11.860 -6.292 155 HH21 ARG 20 1HH2 ARG 20 -1.023 -11.244 -5.621 156 HH22 ARG 20 2HH2 ARG 20 0.514 -11.657 -4.941 157 H MET 21 H MET 21 -2.470 -10.585 -12.651 158 HA MET 21 HA MET 21 -1.586 -12.995 -13.884 159 HB2 MET 21 2HB MET 21 -2.097 -10.197 -14.784 160 HB3 MET 21 3HB MET 21 -1.137 -11.242 -15.823 161 HG2 MET 21 2HG MET 21 -3.651 -12.392 -14.809 162 HG3 MET 21 3HG MET 21 -3.810 -11.053 -15.943 163 HE1 MET 21 1HE MET 21 -1.803 -11.014 -17.839 164 HE2 MET 21 2HE MET 21 -1.814 -12.325 -19.017 165 HE3 MET 21 3HE MET 21 -3.287 -11.405 -18.708 166 H1 GLY 33 H GLY 33 -25.766 -18.298 -20.341 167 HA2 GLY 33 2HA GLY 33 -26.212 -19.898 -17.896 168 HA3 GLY 33 3HA GLY 33 -27.509 -19.500 -19.013 169 H SER 34 H SER 34 -24.373 -20.257 -20.269 170 HA SER 34 HA SER 34 -25.472 -22.735 -21.387 171 HB2 SER 34 2HB SER 34 -23.285 -20.863 -22.247 172 HB3 SER 34 3HB SER 34 -23.333 -22.517 -22.857 173 HG SER 34 HG SER 34 -24.635 -20.500 -23.817 174 H LYS 35 H LYS 35 -22.571 -21.474 -19.781 175 HA LYS 35 HA LYS 35 -22.097 -24.134 -18.664 176 HB2 LYS 35 2HB LYS 35 -19.674 -23.965 -19.168 177 HB3 LYS 35 3HB LYS 35 -20.668 -24.095 -20.613 178 HG2 LYS 35 2HG LYS 35 -20.313 -21.337 -19.983 179 HG3 LYS 35 3HG LYS 35 -18.740 -22.139 -19.990 180 HD2 LYS 35 2HD LYS 35 -20.622 -22.747 -22.208 181 HD3 LYS 35 3HD LYS 35 -19.834 -21.168 -22.204 182 HE2 LYS 35 2HE LYS 35 -17.647 -22.359 -21.955 183 HE3 LYS 35 3HE LYS 35 -18.512 -23.877 -22.193 184 HZ1 LYS 35 1HZ LYS 35 -19.352 -22.484 -24.300 185 HZ2 LYS 35 2HZ LYS 35 -17.998 -23.496 -24.332 186 HZ3 LYS 35 3HZ LYS 35 -17.802 -21.829 -24.120 187 H LYS 36 H LYS 36 -21.833 -23.975 -16.544 188 HA LYS 36 HA LYS 36 -20.319 -21.773 -15.404 189 HB2 LYS 36 2HB LYS 36 -22.105 -21.249 -13.757 190 HB3 LYS 36 3HB LYS 36 -22.538 -20.827 -15.408 191 HG2 LYS 36 2HG LYS 36 -23.358 -23.476 -14.317 192 HG3 LYS 36 3HG LYS 36 -24.251 -22.026 -13.852 193 HD2 LYS 36 2HD LYS 36 -24.359 -21.540 -16.377 194 HD3 LYS 36 3HD LYS 36 -23.903 -23.233 -16.577 195 HE2 LYS 36 2HE LYS 36 -26.265 -22.295 -14.956 196 HE3 LYS 36 3HE LYS 36 -26.364 -22.806 -16.640 197 HZ1 LYS 36 1HZ LYS 36 -25.038 -24.842 -15.416 198 HZ2 LYS 36 2HZ LYS 36 -26.679 -24.836 -15.825 199 HZ3 LYS 36 3HZ LYS 36 -26.194 -24.395 -14.265 200 HA PRO 37 HA PRO 37 -19.817 -25.960 -13.382 201 HB2 PRO 37 2HB PRO 37 -17.123 -26.080 -13.696 202 HB3 PRO 37 3HB PRO 37 -18.259 -26.662 -14.918 203 HG2 PRO 37 2HG PRO 37 -16.775 -24.065 -14.795 204 HG3 PRO 37 3HG PRO 37 -17.050 -25.131 -16.184 205 HD2 PRO 37 2HD PRO 37 -18.507 -22.889 -15.759 206 HD3 PRO 37 3HD PRO 37 -19.185 -24.336 -16.533 207 H VAL 38 H VAL 38 -17.887 -22.995 -13.181 208 HA VAL 38 HA VAL 38 -17.674 -23.419 -10.270 209 HB VAL 38 HB VAL 38 -15.502 -23.485 -11.629 210 HG11 VAL 38 1HG1 VAL 38 -15.937 -20.501 -11.661 211 HG12 VAL 38 2HG1 VAL 38 -14.526 -21.375 -12.261 212 HG13 VAL 38 3HG1 VAL 38 -16.085 -21.552 -13.069 213 HG21 VAL 38 1HG2 VAL 38 -15.579 -21.392 -9.471 214 HG22 VAL 38 2HG2 VAL 38 -15.765 -23.113 -9.137 215 HG23 VAL 38 3HG2 VAL 38 -14.273 -22.512 -9.860 216 HA PRO 39 HA PRO 39 -20.072 -19.707 -9.976 217 HB2 PRO 39 2HB PRO 39 -19.759 -19.321 -7.307 218 HB3 PRO 39 3HB PRO 39 -20.833 -20.552 -7.980 219 HG2 PRO 39 2HG PRO 39 -18.059 -20.847 -6.896 220 HG3 PRO 39 3HG PRO 39 -19.474 -21.886 -6.645 221 HD2 PRO 39 2HD PRO 39 -17.512 -22.497 -8.409 222 HD3 PRO 39 3HD PRO 39 -19.208 -22.951 -8.672 223 H ILE 40 H ILE 40 -16.751 -19.996 -8.943 224 HA ILE 40 HA ILE 40 -16.473 -17.079 -8.821 225 HB ILE 40 HB ILE 40 -14.521 -17.345 -7.596 226 HG12 ILE 40 2HG1 ILE 40 -14.322 -19.937 -9.043 227 HG13 ILE 40 3HG1 ILE 40 -13.085 -18.723 -8.734 228 HG21 ILE 40 1HG2 ILE 40 -15.059 -18.766 -5.773 229 HG22 ILE 40 2HG2 ILE 40 -16.587 -18.192 -6.438 230 HG23 ILE 40 3HG2 ILE 40 -16.027 -19.825 -6.798 231 HD11 ILE 40 1HD1 ILE 40 -14.114 -20.828 -6.858 232 HD12 ILE 40 2HD1 ILE 40 -12.485 -20.648 -7.511 233 HD13 ILE 40 3HD1 ILE 40 -13.099 -19.482 -6.340 234 H ILE 41 H ILE 41 -15.442 -15.954 -10.355 235 HA ILE 41 HA ILE 41 -13.761 -17.388 -12.286 236 HB ILE 41 HB ILE 41 -14.955 -16.841 -14.104 237 HG12 ILE 41 2HG1 ILE 41 -16.341 -14.403 -13.326 238 HG13 ILE 41 3HG1 ILE 41 -14.602 -14.272 -13.090 239 HG21 ILE 41 1HG2 ILE 41 -16.621 -17.812 -12.516 240 HG22 ILE 41 2HG2 ILE 41 -17.149 -16.170 -12.153 241 HG23 ILE 41 3HG2 ILE 41 -17.323 -16.811 -13.786 242 HD11 ILE 41 1HD1 ILE 41 -15.576 -15.373 -15.664 243 HD12 ILE 41 2HD1 ILE 41 -15.746 -13.642 -15.373 244 HD13 ILE 41 3HD1 ILE 41 -14.152 -14.394 -15.313 245 H TYR 42 H TYR 42 -12.575 -15.768 -13.731 246 HA TYR 42 HA TYR 42 -11.972 -13.272 -12.317 247 HB2 TYR 42 2HB TYR 42 -9.494 -13.785 -12.878 248 HB3 TYR 42 3HB TYR 42 -10.219 -14.562 -11.475 249 HD1 TYR 42 HD1 TYR 42 -11.146 -15.728 -14.795 250 HD2 TYR 42 HD2 TYR 42 -8.465 -16.289 -11.539 251 HE1 TYR 42 HE1 TYR 42 -10.521 -17.930 -15.696 252 HE2 TYR 42 HE2 TYR 42 -7.832 -18.492 -12.432 253 HH TYR 42 HH TYR 42 -8.964 -19.600 -15.563 254 H CYS 43 H CYS 43 -13.315 -12.550 -14.169 255 HA CYS 43 HA CYS 43 -11.776 -12.413 -16.674 256 HB2 CYS 43 2HB CYS 43 -13.917 -13.408 -17.063 257 HB3 CYS 43 3HB CYS 43 -14.736 -12.153 -16.139 258 H ASN 44 H ASN 44 -10.543 -10.627 -16.565 259 HA ASN 44 HA ASN 44 -11.663 -8.159 -15.478 260 HB2 ASN 44 2HB ASN 44 -9.514 -8.462 -14.628 261 HB3 ASN 44 3HB ASN 44 -8.891 -9.087 -16.152 262 HD21 ASN 44 1HD2 ASN 44 -8.732 -7.541 -17.940 263 HD22 ASN 44 2HD2 ASN 44 -8.322 -5.903 -17.577 264 H ALA 45 H ALA 45 -11.032 -6.110 -16.700 265 HA ALA 45 HA ALA 45 -12.407 -5.806 -19.001 266 HB1 ALA 45 1HB ALA 45 -11.433 -3.738 -19.243 267 HB2 ALA 45 2HB ALA 45 -11.070 -4.088 -17.553 268 HB3 ALA 45 3HB ALA 45 -9.831 -4.318 -18.787 269 H ALA 46 H ALA 46 -11.367 -5.127 -21.208 270 HA ALA 46 HA ALA 46 -10.600 -7.358 -22.587 271 HB1 ALA 46 1HB ALA 46 -11.340 -5.390 -23.740 272 HB2 ALA 46 2HB ALA 46 -9.928 -4.484 -23.194 273 HB3 ALA 46 3HB ALA 46 -9.734 -5.816 -24.333 274 H THR 47 H THR 47 -9.026 -8.599 -21.619 275 HA THR 47 HA THR 47 -6.294 -7.548 -21.844 276 HB THR 47 HB THR 47 -6.817 -7.391 -19.483 277 HG1 THR 47 HG1 THR 47 -5.027 -8.446 -18.820 278 HG21 THR 47 1HG2 THR 47 -8.606 -9.267 -19.699 279 HG22 THR 47 2HG2 THR 47 -7.721 -9.090 -18.184 280 HG23 THR 47 3HG2 THR 47 -7.263 -10.349 -19.330 281 H GLY 48 H GLY 48 -4.896 -9.748 -21.004 282 HA2 GLY 48 2HA GLY 48 -5.428 -11.596 -23.198 283 HA3 GLY 48 3HA GLY 48 -3.962 -11.521 -22.231 284 H LYS 49 H LYS 49 -7.021 -11.546 -20.620 285 HA LYS 49 HA LYS 49 -7.291 -14.362 -20.352 286 HB2 LYS 49 2HB LYS 49 -6.048 -14.841 -18.557 287 HB3 LYS 49 3HB LYS 49 -5.295 -13.263 -18.751 288 HG2 LYS 49 2HG LYS 49 -7.852 -13.472 -17.237 289 HG3 LYS 49 3HG LYS 49 -6.345 -13.974 -16.468 290 HD2 LYS 49 2HD LYS 49 -5.377 -11.777 -16.914 291 HD3 LYS 49 3HD LYS 49 -6.869 -11.274 -17.713 292 HE2 LYS 49 2HE LYS 49 -7.807 -10.746 -15.766 293 HE3 LYS 49 3HE LYS 49 -7.425 -12.329 -15.092 294 HZ1 LYS 49 1HZ LYS 49 -5.353 -11.577 -14.338 295 HZ2 LYS 49 2HZ LYS 49 -6.431 -10.337 -13.935 296 HZ3 LYS 49 3HZ LYS 49 -5.411 -10.168 -15.274 297 H CYS 50 H CYS 50 -9.316 -14.821 -19.730 298 HA CYS 50 HA CYS 50 -10.795 -13.330 -17.833 299 HB2 CYS 50 2HB CYS 50 -11.176 -11.612 -19.348 300 HB3 CYS 50 3HB CYS 50 -11.198 -12.699 -20.733 301 H GLN 51 H GLN 51 -11.789 -14.986 -16.897 302 HA GLN 51 HA GLN 51 -13.899 -16.384 -17.946 303 HB2 GLN 51 2HB GLN 51 -12.973 -18.610 -18.435 304 HB3 GLN 51 3HB GLN 51 -12.361 -17.389 -19.544 305 HG2 GLN 51 2HG GLN 51 -10.831 -18.231 -17.107 306 HG3 GLN 51 3HG GLN 51 -10.708 -19.093 -18.640 307 HE21 GLN 51 1HE2 GLN 51 -9.831 -16.295 -16.860 308 HE22 GLN 51 2HE2 GLN 51 -8.805 -15.583 -18.054 309 H ARG 52 H ARG 52 -12.782 -19.025 -16.786 310 HA ARG 52 HA ARG 52 -12.725 -18.272 -13.952 311 HB2 ARG 52 2HB ARG 52 -14.492 -19.647 -13.336 312 HB3 ARG 52 3HB ARG 52 -15.066 -18.952 -14.845 313 HG2 ARG 52 2HG ARG 52 -13.926 -21.702 -14.418 314 HG3 ARG 52 3HG ARG 52 -15.584 -21.277 -14.849 315 HD2 ARG 52 2HD ARG 52 -13.100 -21.070 -16.528 316 HD3 ARG 52 3HD ARG 52 -14.566 -21.994 -16.850 317 HE ARG 52 HE ARG 52 -14.793 -19.088 -16.732 318 HH11 ARG 52 1HH1 ARG 52 -14.667 -21.995 -18.643 319 HH12 ARG 52 2HH1 ARG 52 -15.331 -21.249 -20.059 320 HH21 ARG 52 1HH2 ARG 52 -15.667 -18.094 -18.590 321 HH22 ARG 52 2HH2 ARG 52 -15.898 -19.030 -20.028 322 H MET 53 H MET 53 -12.385 -20.413 -12.614 323 HA MET 53 HA MET 53 -10.020 -21.674 -13.766 324 HB2 MET 53 2HB MET 53 -11.054 -21.207 -11.026 325 HB3 MET 53 3HB MET 53 -10.109 -22.670 -11.269 326 HG2 MET 53 2HG MET 53 -8.770 -20.484 -12.515 327 HG3 MET 53 3HG MET 53 -9.191 -20.040 -10.863 328 HE1 MET 53 1HE MET 53 -5.731 -21.296 -12.244 329 HE2 MET 53 2HE MET 53 -6.293 -22.938 -12.554 330 HE3 MET 53 3HE MET 53 -7.162 -21.564 -13.240 Start of MODEL 20 1 H1 GLY 1 H GLY 1 4.260 1.987 -1.849 2 HA2 GLY 1 2HA GLY 1 3.158 -0.100 -0.679 3 HA3 GLY 1 3HA GLY 1 2.753 -0.470 -2.348 4 H SER 2 H SER 2 4.000 -2.414 -2.079 5 HA SER 2 HA SER 2 6.909 -1.949 -2.131 6 HB2 SER 2 2HB SER 2 5.290 -4.309 -1.178 7 HB3 SER 2 3HB SER 2 7.014 -4.438 -1.529 8 HG SER 2 HG SER 2 7.424 -2.918 0.060 9 H LYS 3 H LYS 3 4.298 -3.897 -3.536 10 HA LYS 3 HA LYS 3 5.770 -3.954 -6.062 11 HB2 LYS 3 2HB LYS 3 5.224 -6.372 -6.348 12 HB3 LYS 3 3HB LYS 3 6.386 -6.053 -5.067 13 HG2 LYS 3 2HG LYS 3 3.919 -5.992 -3.796 14 HG3 LYS 3 3HG LYS 3 3.800 -7.330 -4.941 15 HD2 LYS 3 2HD LYS 3 6.301 -7.139 -3.369 16 HD3 LYS 3 3HD LYS 3 4.841 -7.591 -2.485 17 HE2 LYS 3 2HE LYS 3 5.635 -9.649 -3.154 18 HE3 LYS 3 3HE LYS 3 4.505 -9.267 -4.452 19 HZ1 LYS 3 1HZ LYS 3 7.457 -8.973 -4.516 20 HZ2 LYS 3 2HZ LYS 3 6.425 -8.405 -5.729 21 HZ3 LYS 3 3HZ LYS 3 6.521 -10.063 -5.409 22 H LYS 4 H LYS 4 4.477 -3.320 -7.648 23 HA LYS 4 HA LYS 4 1.699 -4.166 -7.719 24 HB2 LYS 4 2HB LYS 4 0.884 -1.847 -8.085 25 HB3 LYS 4 3HB LYS 4 1.504 -2.117 -6.461 26 HG2 LYS 4 2HG LYS 4 3.320 -1.003 -8.545 27 HG3 LYS 4 3HG LYS 4 2.124 0.046 -7.780 28 HD2 LYS 4 2HD LYS 4 3.048 -0.858 -5.560 29 HD3 LYS 4 3HD LYS 4 4.415 -1.430 -6.519 30 HE2 LYS 4 2HE LYS 4 4.794 0.863 -7.314 31 HE3 LYS 4 3HE LYS 4 3.447 1.422 -6.323 32 HZ1 LYS 4 1HZ LYS 4 5.855 0.073 -5.233 33 HZ2 LYS 4 2HZ LYS 4 4.619 0.822 -4.354 34 HZ3 LYS 4 3HZ LYS 4 5.665 1.753 -5.303 35 HA PRO 5 HA PRO 5 3.944 -3.919 -11.815 36 HB2 PRO 5 2HB PRO 5 3.506 -6.507 -12.508 37 HB3 PRO 5 3HB PRO 5 4.907 -5.990 -11.562 38 HG2 PRO 5 2HG PRO 5 2.339 -7.215 -10.630 39 HG3 PRO 5 3HG PRO 5 3.998 -7.566 -10.113 40 HD2 PRO 5 2HD PRO 5 2.325 -5.997 -8.674 41 HD3 PRO 5 3HD PRO 5 4.082 -5.740 -8.710 42 H VAL 6 H VAL 6 1.027 -5.841 -11.079 43 HA VAL 6 HA VAL 6 -0.273 -4.584 -13.409 44 HB VAL 6 HB VAL 6 0.180 -7.082 -13.578 45 HG11 VAL 6 1HG1 VAL 6 -2.098 -7.247 -11.611 46 HG12 VAL 6 2HG1 VAL 6 -1.251 -8.591 -12.379 47 HG13 VAL 6 3HG1 VAL 6 -0.411 -7.569 -11.212 48 HG21 VAL 6 1HG2 VAL 6 -1.789 -7.458 -14.790 49 HG22 VAL 6 2HG2 VAL 6 -2.748 -6.430 -13.724 50 HG23 VAL 6 3HG2 VAL 6 -1.580 -5.707 -14.830 51 HA PRO 7 HA PRO 7 -3.068 -2.928 -10.389 52 HB2 PRO 7 2HB PRO 7 -4.869 -1.912 -12.148 53 HB3 PRO 7 3HB PRO 7 -3.307 -1.150 -11.825 54 HG2 PRO 7 2HG PRO 7 -4.117 -2.925 -14.096 55 HG3 PRO 7 3HG PRO 7 -3.150 -1.438 -14.128 56 HD2 PRO 7 2HD PRO 7 -2.035 -3.904 -14.234 57 HD3 PRO 7 3HD PRO 7 -1.229 -2.524 -13.460 58 H ILE 8 H ILE 8 -3.932 -5.211 -12.877 59 HA ILE 8 HA ILE 8 -6.420 -5.862 -11.450 60 HB ILE 8 HB ILE 8 -7.324 -6.715 -13.401 61 HG12 ILE 8 2HG1 ILE 8 -4.506 -7.315 -14.071 62 HG13 ILE 8 3HG1 ILE 8 -5.956 -8.277 -14.334 63 HG21 ILE 8 1HG2 ILE 8 -5.460 -4.613 -14.488 64 HG22 ILE 8 2HG2 ILE 8 -7.056 -5.049 -15.095 65 HG23 ILE 8 3HG2 ILE 8 -6.896 -4.260 -13.526 66 HD11 ILE 8 1HD1 ILE 8 -6.513 -6.639 -16.191 67 HD12 ILE 8 2HD1 ILE 8 -4.852 -6.067 -16.027 68 HD13 ILE 8 3HD1 ILE 8 -5.168 -7.745 -16.467 69 H ILE 9 H ILE 9 -6.713 -7.816 -10.527 70 HA ILE 9 HA ILE 9 -4.732 -9.922 -11.026 71 HB ILE 9 HB ILE 9 -4.054 -10.145 -8.883 72 HG12 ILE 9 2HG1 ILE 9 -6.228 -8.876 -7.390 73 HG13 ILE 9 3HG1 ILE 9 -6.764 -10.239 -8.366 74 HG21 ILE 9 1HG2 ILE 9 -5.107 -7.337 -8.608 75 HG22 ILE 9 2HG2 ILE 9 -3.714 -8.048 -7.793 76 HG23 ILE 9 3HG2 ILE 9 -3.667 -7.764 -9.533 77 HD11 ILE 9 1HD1 ILE 9 -5.579 -11.753 -7.146 78 HD12 ILE 9 2HD1 ILE 9 -4.352 -10.579 -6.670 79 HD13 ILE 9 3HD1 ILE 9 -5.937 -10.559 -5.899 80 H TYR 10 H TYR 10 -5.468 -11.998 -9.806 81 HA TYR 10 HA TYR 10 -8.388 -12.250 -9.831 82 HB2 TYR 10 2HB TYR 10 -7.997 -14.507 -11.030 83 HB3 TYR 10 3HB TYR 10 -7.949 -13.034 -11.991 84 HD1 TYR 10 HD1 TYR 10 -5.146 -13.782 -9.794 85 HD2 TYR 10 HD2 TYR 10 -6.686 -14.228 -13.735 86 HE1 TYR 10 HE1 TYR 10 -2.900 -14.383 -10.597 87 HE2 TYR 10 HE2 TYR 10 -4.444 -14.832 -14.549 88 HH TYR 10 HH TYR 10 -2.168 -15.932 -13.025 89 H CYS 11 H CYS 11 -7.867 -12.214 -7.494 90 HA CYS 11 HA CYS 11 -6.987 -14.866 -6.553 91 HB2 CYS 11 2HB CYS 11 -5.441 -13.185 -5.786 92 HB3 CYS 11 3HB CYS 11 -6.758 -12.165 -5.215 93 H ASN 12 H ASN 12 -8.805 -16.000 -6.221 94 HA ASN 12 HA ASN 12 -11.105 -14.695 -4.969 95 HB2 ASN 12 2HB ASN 12 -11.848 -15.910 -6.817 96 HB3 ASN 12 3HB ASN 12 -10.733 -17.240 -6.515 97 HD21 ASN 12 1HD2 ASN 12 -11.157 -18.579 -4.626 98 HD22 ASN 12 2HD2 ASN 12 -12.794 -18.842 -4.142 99 H ALA 13 H ALA 13 -12.339 -16.143 -3.382 100 HA ALA 13 HA ALA 13 -11.070 -16.385 -1.013 101 HB1 ALA 13 1HB ALA 13 -13.568 -16.923 -1.821 102 HB2 ALA 13 2HB ALA 13 -12.991 -18.566 -1.538 103 HB3 ALA 13 3HB ALA 13 -12.946 -17.379 -0.234 104 H ALA 14 H ALA 14 -10.788 -18.589 0.222 105 HA ALA 14 HA ALA 14 -8.434 -19.756 -0.527 106 HB1 ALA 14 1HB ALA 14 -9.038 -21.638 0.968 107 HB2 ALA 14 2HB ALA 14 -9.329 -20.053 1.686 108 HB3 ALA 14 3HB ALA 14 -10.679 -20.997 1.056 109 H THR 15 H THR 15 -8.280 -20.308 -2.680 110 HA THR 15 HA THR 15 -9.692 -22.766 -3.439 111 HB THR 15 HB THR 15 -10.902 -20.992 -4.566 112 HG1 THR 15 HG1 THR 15 -10.133 -21.630 -6.841 113 HG21 THR 15 1HG2 THR 15 -9.940 -19.314 -5.861 114 HG22 THR 15 2HG2 THR 15 -8.422 -20.193 -6.049 115 HG23 THR 15 3HG2 THR 15 -8.822 -19.443 -4.504 116 H GLY 16 H GLY 16 -8.645 -23.152 -5.932 117 HA2 GLY 16 2HA GLY 16 -5.861 -23.731 -5.274 118 HA3 GLY 16 3HA GLY 16 -6.775 -24.403 -6.617 119 H LYS 17 H LYS 17 -6.801 -20.982 -6.019 120 HA LYS 17 HA LYS 17 -4.604 -20.310 -7.696 121 HB2 LYS 17 2HB LYS 17 -5.523 -20.262 -9.729 122 HB3 LYS 17 3HB LYS 17 -6.950 -21.040 -9.056 123 HG2 LYS 17 2HG LYS 17 -6.675 -18.083 -8.831 124 HG3 LYS 17 3HG LYS 17 -7.143 -18.794 -10.377 125 HD2 LYS 17 2HD LYS 17 -9.099 -19.737 -9.470 126 HD3 LYS 17 3HD LYS 17 -8.543 -19.499 -7.812 127 HE2 LYS 17 2HE LYS 17 -10.244 -17.869 -8.329 128 HE3 LYS 17 3HE LYS 17 -8.689 -17.056 -8.155 129 HZ1 LYS 17 1HZ LYS 17 -9.655 -17.892 -10.813 130 HZ2 LYS 17 2HZ LYS 17 -8.536 -16.686 -10.420 131 HZ3 LYS 17 3HZ LYS 17 -10.183 -16.438 -10.126 132 H CYS 18 H CYS 18 -3.983 -18.282 -7.260 133 HA CYS 18 HA CYS 18 -5.756 -16.131 -6.761 134 HB2 CYS 18 2HB CYS 18 -6.209 -17.008 -4.628 135 HB3 CYS 18 3HB CYS 18 -4.544 -17.527 -4.389 136 H GLN 19 H GLN 19 -4.683 -14.466 -7.570 137 HA GLN 19 HA GLN 19 -2.330 -13.399 -6.669 138 HB2 GLN 19 2HB GLN 19 -0.871 -14.093 -8.747 139 HB3 GLN 19 3HB GLN 19 -0.915 -15.096 -7.303 140 HG2 GLN 19 2HG GLN 19 -1.936 -16.793 -8.350 141 HG3 GLN 19 3HG GLN 19 -2.964 -15.724 -9.303 142 HE21 GLN 19 1HE2 GLN 19 -1.079 -14.195 -10.589 143 HE22 GLN 19 2HE2 GLN 19 -0.172 -15.190 -11.672 144 H ARG 20 H ARG 20 -1.148 -12.684 -9.234 145 HA ARG 20 HA ARG 20 -3.360 -11.178 -10.457 146 HB2 ARG 20 2HB ARG 20 -2.214 -9.164 -10.384 147 HB3 ARG 20 3HB ARG 20 -1.789 -9.882 -8.836 148 HG2 ARG 20 2HG ARG 20 -0.096 -9.796 -11.322 149 HG3 ARG 20 3HG ARG 20 0.172 -8.923 -9.812 150 HD2 ARG 20 2HD ARG 20 0.452 -11.857 -10.368 151 HD3 ARG 20 3HD ARG 20 1.646 -10.738 -9.711 152 HE ARG 20 HE ARG 20 -0.737 -11.245 -8.112 153 HH11 ARG 20 1HH1 ARG 20 2.645 -11.840 -8.678 154 HH12 ARG 20 2HH1 ARG 20 2.938 -12.453 -7.084 155 HH21 ARG 20 1HH2 ARG 20 -0.365 -12.049 -6.010 156 HH22 ARG 20 2HH2 ARG 20 1.225 -12.572 -5.568 157 H MET 21 H MET 21 -2.492 -10.086 -12.569 158 HA MET 21 HA MET 21 -1.278 -12.235 -14.136 159 HB2 MET 21 2HB MET 21 -2.693 -9.718 -15.032 160 HB3 MET 21 3HB MET 21 -2.111 -10.992 -16.094 161 HG2 MET 21 2HG MET 21 -4.334 -11.516 -15.913 162 HG3 MET 21 3HG MET 21 -3.627 -12.527 -14.655 163 HE1 MET 21 1HE MET 21 -6.390 -12.234 -14.855 164 HE2 MET 21 2HE MET 21 -7.145 -11.503 -13.439 165 HE3 MET 21 3HE MET 21 -6.965 -10.568 -14.924 166 H1 GLY 33 H GLY 33 -22.706 -17.111 -19.596 167 HA2 GLY 33 2HA GLY 33 -24.780 -17.262 -18.547 168 HA3 GLY 33 3HA GLY 33 -25.505 -16.435 -19.917 169 H SER 34 H SER 34 -23.557 -19.399 -19.843 170 HA SER 34 HA SER 34 -25.835 -20.800 -21.079 171 HB2 SER 34 2HB SER 34 -22.857 -21.167 -21.408 172 HB3 SER 34 3HB SER 34 -24.021 -22.381 -21.938 173 HG SER 34 HG SER 34 -25.015 -20.531 -23.118 174 H LYS 35 H LYS 35 -23.111 -21.207 -18.842 175 HA LYS 35 HA LYS 35 -24.722 -23.100 -17.305 176 HB2 LYS 35 2HB LYS 35 -22.794 -24.638 -17.075 177 HB3 LYS 35 3HB LYS 35 -23.387 -24.533 -18.728 178 HG2 LYS 35 2HG LYS 35 -21.219 -22.667 -18.040 179 HG3 LYS 35 3HG LYS 35 -20.790 -24.379 -18.040 180 HD2 LYS 35 2HD LYS 35 -22.341 -23.259 -20.331 181 HD3 LYS 35 3HD LYS 35 -20.604 -22.961 -20.235 182 HE2 LYS 35 2HE LYS 35 -20.091 -25.088 -20.745 183 HE3 LYS 35 3HE LYS 35 -21.387 -25.743 -19.746 184 HZ1 LYS 35 1HZ LYS 35 -22.500 -24.432 -21.974 185 HZ2 LYS 35 2HZ LYS 35 -22.599 -26.067 -21.552 186 HZ3 LYS 35 3HZ LYS 35 -21.321 -25.518 -22.516 187 H LYS 36 H LYS 36 -23.430 -23.696 -15.218 188 HA LYS 36 HA LYS 36 -21.770 -21.498 -14.269 189 HB2 LYS 36 2HB LYS 36 -24.177 -22.316 -12.657 190 HB3 LYS 36 3HB LYS 36 -23.138 -20.915 -12.431 191 HG2 LYS 36 2HG LYS 36 -24.980 -19.941 -13.368 192 HG3 LYS 36 3HG LYS 36 -24.011 -20.259 -14.808 193 HD2 LYS 36 2HD LYS 36 -25.873 -21.244 -15.586 194 HD3 LYS 36 3HD LYS 36 -25.398 -22.592 -14.550 195 HE2 LYS 36 2HE LYS 36 -26.728 -21.414 -12.714 196 HE3 LYS 36 3HE LYS 36 -27.406 -20.423 -14.005 197 HZ1 LYS 36 1HZ LYS 36 -27.863 -22.759 -15.057 198 HZ2 LYS 36 2HZ LYS 36 -28.926 -22.099 -13.920 199 HZ3 LYS 36 3HZ LYS 36 -27.802 -23.271 -13.446 200 HA PRO 37 HA PRO 37 -20.621 -25.769 -12.752 201 HB2 PRO 37 2HB PRO 37 -18.057 -25.679 -13.640 202 HB3 PRO 37 3HB PRO 37 -19.400 -26.252 -14.637 203 HG2 PRO 37 2HG PRO 37 -18.064 -23.573 -14.617 204 HG3 PRO 37 3HG PRO 37 -18.577 -24.557 -16.000 205 HD2 PRO 37 2HD PRO 37 -20.023 -22.456 -15.090 206 HD3 PRO 37 3HD PRO 37 -20.776 -23.889 -15.819 207 H VAL 38 H VAL 38 -18.519 -22.885 -12.845 208 HA VAL 38 HA VAL 38 -17.865 -23.381 -10.013 209 HB VAL 38 HB VAL 38 -15.960 -23.514 -11.686 210 HG11 VAL 38 1HG1 VAL 38 -16.728 -21.598 -13.064 211 HG12 VAL 38 2HG1 VAL 38 -16.289 -20.517 -11.740 212 HG13 VAL 38 3HG1 VAL 38 -15.045 -21.467 -12.554 213 HG21 VAL 38 1HG2 VAL 38 -15.556 -21.347 -9.646 214 HG22 VAL 38 2HG2 VAL 38 -15.808 -23.030 -9.183 215 HG23 VAL 38 3HG2 VAL 38 -14.419 -22.587 -10.176 216 HA PRO 39 HA PRO 39 -20.024 -19.588 -9.225 217 HB2 PRO 39 2HB PRO 39 -19.302 -19.347 -6.619 218 HB3 PRO 39 3HB PRO 39 -20.529 -20.492 -7.174 219 HG2 PRO 39 2HG PRO 39 -17.645 -20.970 -6.529 220 HG3 PRO 39 3HG PRO 39 -19.063 -21.952 -6.113 221 HD2 PRO 39 2HD PRO 39 -17.416 -22.569 -8.172 222 HD3 PRO 39 3HD PRO 39 -19.155 -22.929 -8.198 223 H ILE 40 H ILE 40 -16.607 -20.084 -8.719 224 HA ILE 40 HA ILE 40 -16.177 -17.177 -8.616 225 HB ILE 40 HB ILE 40 -14.171 -17.506 -7.519 226 HG12 ILE 40 2HG1 ILE 40 -14.128 -20.057 -9.020 227 HG13 ILE 40 3HG1 ILE 40 -12.823 -18.924 -8.685 228 HG21 ILE 40 1HG2 ILE 40 -16.154 -18.282 -6.195 229 HG22 ILE 40 2HG2 ILE 40 -15.698 -19.934 -6.606 230 HG23 ILE 40 3HG2 ILE 40 -14.603 -18.928 -5.659 231 HD11 ILE 40 1HD1 ILE 40 -13.920 -21.054 -6.875 232 HD12 ILE 40 2HD1 ILE 40 -12.305 -20.945 -7.576 233 HD13 ILE 40 3HD1 ILE 40 -12.807 -19.796 -6.336 234 H ILE 41 H ILE 41 -15.026 -16.140 -10.165 235 HA ILE 41 HA ILE 41 -13.710 -17.736 -12.245 236 HB ILE 41 HB ILE 41 -14.904 -16.933 -13.991 237 HG12 ILE 41 2HG1 ILE 41 -16.102 -14.510 -12.854 238 HG13 ILE 41 3HG1 ILE 41 -14.342 -14.485 -12.867 239 HG21 ILE 41 1HG2 ILE 41 -16.933 -16.387 -11.830 240 HG22 ILE 41 2HG2 ILE 41 -17.259 -16.799 -13.513 241 HG23 ILE 41 3HG2 ILE 41 -16.523 -17.990 -12.440 242 HD11 ILE 41 1HD1 ILE 41 -15.760 -15.304 -15.343 243 HD12 ILE 41 2HD1 ILE 41 -15.741 -13.597 -14.898 244 HD13 ILE 41 3HD1 ILE 41 -14.224 -14.461 -15.141 245 H TYR 42 H TYR 42 -12.550 -16.151 -13.826 246 HA TYR 42 HA TYR 42 -11.456 -13.854 -12.367 247 HB2 TYR 42 2HB TYR 42 -9.170 -14.583 -13.334 248 HB3 TYR 42 3HB TYR 42 -9.776 -15.413 -11.904 249 HD1 TYR 42 HD1 TYR 42 -11.263 -16.116 -15.161 250 HD2 TYR 42 HD2 TYR 42 -8.311 -17.325 -12.346 251 HE1 TYR 42 HE1 TYR 42 -11.046 -18.272 -16.324 252 HE2 TYR 42 HE2 TYR 42 -8.084 -19.484 -13.502 253 HH TYR 42 HH TYR 42 -8.611 -20.641 -15.361 254 H CYS 43 H CYS 43 -12.969 -12.840 -13.934 255 HA CYS 43 HA CYS 43 -11.707 -12.546 -16.581 256 HB2 CYS 43 2HB CYS 43 -13.872 -13.564 -16.848 257 HB3 CYS 43 3HB CYS 43 -14.621 -12.359 -15.805 258 H ASN 44 H ASN 44 -10.508 -10.744 -16.440 259 HA ASN 44 HA ASN 44 -11.559 -8.411 -15.032 260 HB2 ASN 44 2HB ASN 44 -9.340 -8.688 -14.415 261 HB3 ASN 44 3HB ASN 44 -8.855 -9.236 -16.017 262 HD21 ASN 44 1HD2 ASN 44 -8.781 -7.633 -17.724 263 HD22 ASN 44 2HD2 ASN 44 -8.384 -5.999 -17.328 264 H ALA 45 H ALA 45 -11.108 -6.247 -16.112 265 HA ALA 45 HA ALA 45 -12.699 -5.785 -18.241 266 HB1 ALA 45 1HB ALA 45 -10.811 -4.295 -16.811 267 HB2 ALA 45 2HB ALA 45 -10.406 -4.075 -18.514 268 HB3 ALA 45 3HB ALA 45 -12.028 -3.691 -17.936 269 H ALA 46 H ALA 46 -11.791 -4.799 -20.439 270 HA ALA 46 HA ALA 46 -11.198 -6.831 -22.146 271 HB1 ALA 46 1HB ALA 46 -10.382 -3.940 -22.393 272 HB2 ALA 46 2HB ALA 46 -10.336 -5.108 -23.714 273 HB3 ALA 46 3HB ALA 46 -11.876 -4.679 -22.969 274 H THR 47 H THR 47 -9.655 -8.272 -21.429 275 HA THR 47 HA THR 47 -6.878 -7.331 -21.637 276 HB THR 47 HB THR 47 -7.277 -7.560 -19.267 277 HG1 THR 47 HG1 THR 47 -5.502 -8.727 -18.935 278 HG21 THR 47 1HG2 THR 47 -7.883 -9.841 -18.354 279 HG22 THR 47 2HG2 THR 47 -8.352 -10.279 -19.997 280 HG23 THR 47 3HG2 THR 47 -9.186 -8.969 -19.161 281 H GLY 48 H GLY 48 -5.600 -9.741 -21.215 282 HA2 GLY 48 2HA GLY 48 -6.277 -11.127 -23.691 283 HA3 GLY 48 3HA GLY 48 -4.799 -11.319 -22.761 284 H LYS 49 H LYS 49 -6.934 -11.492 -20.413 285 HA LYS 49 HA LYS 49 -7.707 -14.286 -20.859 286 HB2 LYS 49 2HB LYS 49 -6.693 -15.094 -18.948 287 HB3 LYS 49 3HB LYS 49 -5.506 -13.915 -19.490 288 HG2 LYS 49 2HG LYS 49 -7.615 -13.353 -17.419 289 HG3 LYS 49 3HG LYS 49 -5.966 -13.862 -17.050 290 HD2 LYS 49 2HD LYS 49 -6.794 -11.353 -18.509 291 HD3 LYS 49 3HD LYS 49 -6.147 -11.453 -16.869 292 HE2 LYS 49 2HE LYS 49 -4.756 -11.886 -19.485 293 HE3 LYS 49 3HE LYS 49 -4.299 -10.839 -18.142 294 HZ1 LYS 49 1HZ LYS 49 -3.849 -13.699 -18.506 295 HZ2 LYS 49 2HZ LYS 49 -4.161 -13.167 -16.931 296 HZ3 LYS 49 3HZ LYS 49 -2.855 -12.530 -17.795 297 H CYS 50 H CYS 50 -9.678 -14.812 -20.088 298 HA CYS 50 HA CYS 50 -10.950 -13.475 -17.927 299 HB2 CYS 50 2HB CYS 50 -11.459 -11.652 -19.266 300 HB3 CYS 50 3HB CYS 50 -11.601 -12.631 -20.723 301 H GLN 51 H GLN 51 -12.103 -15.030 -17.014 302 HA GLN 51 HA GLN 51 -14.200 -16.417 -18.107 303 HB2 GLN 51 2HB GLN 51 -12.965 -18.742 -18.228 304 HB3 GLN 51 3HB GLN 51 -13.026 -17.677 -19.626 305 HG2 GLN 51 2HG GLN 51 -10.817 -17.301 -19.603 306 HG3 GLN 51 3HG GLN 51 -10.738 -17.247 -17.843 307 HE21 GLN 51 1HE2 GLN 51 -11.762 -19.710 -17.195 308 HE22 GLN 51 2HE2 GLN 51 -10.690 -20.945 -17.753 309 H ARG 52 H ARG 52 -13.599 -19.036 -16.916 310 HA ARG 52 HA ARG 52 -13.375 -18.286 -14.080 311 HB2 ARG 52 2HB ARG 52 -15.288 -19.445 -13.475 312 HB3 ARG 52 3HB ARG 52 -15.767 -18.736 -15.011 313 HG2 ARG 52 2HG ARG 52 -14.897 -21.572 -14.512 314 HG3 ARG 52 3HG ARG 52 -16.512 -21.005 -14.944 315 HD2 ARG 52 2HD ARG 52 -14.035 -21.099 -16.637 316 HD3 ARG 52 3HD ARG 52 -15.608 -21.835 -16.943 317 HE ARG 52 HE ARG 52 -15.491 -18.925 -16.853 318 HH11 ARG 52 1HH1 ARG 52 -15.643 -21.835 -18.758 319 HH12 ARG 52 2HH1 ARG 52 -16.190 -21.025 -20.189 320 HH21 ARG 52 1HH2 ARG 52 -16.210 -17.847 -18.730 321 HH22 ARG 52 2HH2 ARG 52 -16.511 -18.757 -20.172 322 H MET 53 H MET 53 -13.214 -20.394 -12.708 323 HA MET 53 HA MET 53 -11.493 -22.336 -14.095 324 HB2 MET 53 2HB MET 53 -9.934 -22.353 -12.268 325 HB3 MET 53 3HB MET 53 -10.140 -20.688 -12.795 326 HG2 MET 53 2HG MET 53 -10.588 -20.128 -10.708 327 HG3 MET 53 3HG MET 53 -12.054 -21.102 -10.795 328 HE1 MET 53 1HE MET 53 -12.612 -22.554 -9.184 329 HE2 MET 53 2HE MET 53 -11.920 -23.952 -10.008 330 HE3 MET 53 3HE MET 53 -11.602 -23.693 -8.292
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