NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
603898 | 2n1s | 25574 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 1.842 -0.899 -1.787 3 HB1 ALA 1 1HB ALA 1 0.654 1.145 -2.333 4 HB2 ALA 1 2HB ALA 1 1.915 2.107 -1.558 5 HB3 ALA 1 3HB ALA 1 2.281 1.181 -3.014 6 H ALA 2 H ALA 2 3.515 1.929 -0.424 7 HA ALA 2 HA ALA 2 5.839 0.409 0.302 8 HB1 ALA 2 1HB ALA 2 6.373 0.398 -1.984 9 HB2 ALA 2 2HB ALA 2 5.864 2.074 -2.198 10 HB3 ALA 2 3HB ALA 2 7.335 1.707 -1.297 11 H GLY 3 H GLY 3 5.431 3.735 -0.917 12 HA2 GLY 3 2HA GLY 3 5.027 5.560 0.670 13 HA3 GLY 3 3HA GLY 3 6.041 4.691 1.811 14 H GLN 4 H GLN 4 6.124 7.421 0.387 15 HA GLN 4 HA GLN 4 8.686 7.249 -0.981 16 HB2 GLN 4 2HB GLN 4 6.951 9.661 -0.425 17 HB3 GLN 4 3HB GLN 4 8.356 9.618 -1.481 18 HG2 GLN 4 2HG GLN 4 7.174 8.831 -3.187 19 HG3 GLN 4 3HG GLN 4 6.394 7.606 -2.187 20 HE21 GLN 4 1HE2 GLN 4 4.388 7.983 -1.361 21 HE22 GLN 4 2HE2 GLN 4 3.432 9.364 -1.765 22 H CYS 5 H CYS 5 10.586 8.152 -0.265 23 HA CYS 5 HA CYS 5 10.977 8.270 2.540 24 HB2 CYS 5 2HB CYS 5 12.862 9.320 0.426 25 HB3 CYS 5 3HB CYS 5 13.271 8.754 2.042 26 H TYR 6 H TYR 6 11.634 10.049 3.828 27 HA TYR 6 HA TYR 6 10.562 12.617 2.872 28 HB2 TYR 6 2HB TYR 6 10.644 11.303 5.555 29 HB3 TYR 6 3HB TYR 6 10.650 13.062 5.476 30 HD1 TYR 6 HD2 TYR 6 8.736 10.051 4.459 31 HD2 TYR 6 HD1 TYR 6 8.659 14.258 5.089 32 HE1 TYR 6 HE2 TYR 6 6.290 10.040 4.194 33 HE2 TYR 6 HE1 TYR 6 6.214 14.259 4.827 34 HH TYR 6 HH TYR 6 4.364 12.903 4.807 35 H ARG 7 H ARG 7 12.056 14.032 2.283 36 HA ARG 7 HA ARG 7 14.064 15.101 2.073 37 HB2 ARG 7 2HB ARG 7 13.066 15.896 4.307 38 HB3 ARG 7 3HB ARG 7 14.267 14.859 5.065 39 HG2 ARG 7 2HG ARG 7 16.022 16.184 4.425 40 HG3 ARG 7 3HG ARG 7 15.160 16.837 3.030 41 HD2 ARG 7 2HD ARG 7 13.729 17.572 5.366 42 HD3 ARG 7 3HD ARG 7 15.431 17.943 5.636 43 HE ARG 7 HE ARG 7 14.674 18.865 3.091 44 HH11 ARG 7 1HH1 ARG 7 14.160 19.554 6.465 45 HH12 ARG 7 2HH1 ARG 7 13.871 21.243 6.210 46 HH21 ARG 7 1HH2 ARG 7 14.296 21.088 2.743 47 HH22 ARG 7 2HH2 ARG 7 13.948 22.114 4.093 48 H GLY 8 H GLY 8 14.308 12.354 1.671 49 HA2 GLY 8 2HA GLY 8 16.006 10.829 1.368 50 HA3 GLY 8 3HA GLY 8 17.111 12.015 2.048 51 H ARG 9 H ARG 9 14.281 10.825 3.737 52 HA ARG 9 HA ARG 9 15.871 8.986 5.333 53 HB2 ARG 9 2HB ARG 9 15.859 11.470 6.256 54 HB3 ARG 9 3HB ARG 9 14.282 10.992 6.867 55 HG2 ARG 9 2HG ARG 9 15.346 10.181 8.635 56 HG3 ARG 9 3HG ARG 9 15.930 8.892 7.581 57 HD2 ARG 9 2HD ARG 9 17.841 10.446 6.979 58 HD3 ARG 9 3HD ARG 9 17.310 11.460 8.321 59 HE ARG 9 HE ARG 9 17.724 8.726 9.073 60 HH11 ARG 9 1HH1 ARG 9 19.280 11.796 8.550 61 HH12 ARG 9 2HH1 ARG 9 20.605 11.453 9.612 62 HH21 ARG 9 1HH2 ARG 9 19.464 8.262 10.475 63 HH22 ARG 9 2HH2 ARG 9 20.709 9.442 10.706 64 H CYS 10 H CYS 10 14.706 7.285 6.016 65 HA CYS 10 HA CYS 10 11.777 7.443 5.728 66 HB2 CYS 10 2HB CYS 10 13.683 5.172 5.171 67 HB3 CYS 10 3HB CYS 10 11.949 4.923 5.353 68 H SER 11 H SER 11 10.496 6.252 7.216 69 HA SER 11 HA SER 11 11.697 6.114 9.858 70 HB2 SER 11 2HB SER 11 8.819 5.778 8.980 71 HB3 SER 11 3HB SER 11 9.373 5.843 10.652 72 HG SER 11 HG SER 11 9.169 7.880 8.757 73 H GLY 12 H GLY 12 10.407 4.234 11.211 74 HA2 GLY 12 2HA GLY 12 10.434 1.994 11.707 75 HA3 GLY 12 3HA GLY 12 9.981 1.746 10.027 76 H GLY 13 H GLY 13 12.954 3.376 10.710 77 HA2 GLY 13 2HA GLY 13 15.141 2.788 10.344 78 HA3 GLY 13 3HA GLY 13 14.698 1.200 10.953 79 H LEU 14 H LEU 14 12.975 2.339 8.210 80 HA LEU 14 HA LEU 14 13.971 0.188 6.603 81 HB2 LEU 14 2HB LEU 14 12.004 2.404 6.183 82 HB3 LEU 14 3HB LEU 14 12.537 1.413 4.826 83 HG LEU 14 HG LEU 14 11.158 0.383 7.305 84 HD11 LEU 14 1HD1 LEU 14 9.499 -0.140 5.233 85 HD12 LEU 14 2HD1 LEU 14 10.171 1.412 4.737 86 HD13 LEU 14 3HD1 LEU 14 9.356 1.262 6.293 87 HD21 LEU 14 3HD2 LEU 14 11.731 -1.659 6.654 88 HD22 LEU 14 1HD2 LEU 14 12.768 -0.941 5.420 89 HD23 LEU 14 2HD2 LEU 14 11.099 -1.362 5.034 90 H CYS 15 H CYS 15 14.423 0.829 4.165 91 HA CYS 15 HA CYS 15 16.523 2.898 4.210 92 HB2 CYS 15 2HB CYS 15 16.429 0.225 2.821 93 HB3 CYS 15 3HB CYS 15 17.548 1.492 2.329 94 H CYS 16 H CYS 16 16.822 4.157 2.334 95 HA CYS 16 HA CYS 16 14.372 4.574 0.833 96 HB2 CYS 16 2HB CYS 16 15.851 6.415 1.872 97 HB3 CYS 16 3HB CYS 16 16.917 6.145 0.497 98 H SER 17 H SER 17 14.020 3.864 -1.163 99 HA SER 17 HA SER 17 16.077 2.374 -2.535 100 HB2 SER 17 2HB SER 17 14.371 1.568 -3.934 101 HB3 SER 17 3HB SER 17 13.558 1.794 -2.385 102 HG SER 17 HG SER 17 12.298 3.174 -3.322 103 H LYS 18 H LYS 18 16.270 2.699 -4.974 104 HA LYS 18 HA LYS 18 17.285 5.309 -5.445 105 HB2 LYS 18 2HB LYS 18 18.251 3.296 -6.481 106 HB3 LYS 18 3HB LYS 18 16.771 3.059 -7.400 107 HG2 LYS 18 2HG LYS 18 17.165 4.943 -8.735 108 HG3 LYS 18 3HG LYS 18 18.385 5.576 -7.629 109 HD2 LYS 18 2HD LYS 18 18.814 2.917 -8.917 110 HD3 LYS 18 3HD LYS 18 19.094 4.388 -9.853 111 HE2 LYS 18 2HE LYS 18 20.998 4.833 -8.770 112 HE3 LYS 18 3HE LYS 18 20.278 4.497 -7.197 113 HZ1 LYS 18 3HZ LYS 18 21.506 2.666 -7.174 114 HZ2 LYS 18 1HZ LYS 18 21.963 2.850 -8.793 115 HZ3 LYS 18 2HZ LYS 18 20.525 2.048 -8.406 116 H TYR 19 H TYR 19 14.172 4.085 -5.573 117 HA TYR 19 HA TYR 19 13.304 5.989 -7.627 118 HB2 TYR 19 2HB TYR 19 12.129 3.506 -6.457 119 HB3 TYR 19 3HB TYR 19 11.037 4.729 -7.097 120 HD1 TYR 19 HD2 TYR 19 11.418 5.498 -9.517 121 HD2 TYR 19 HD1 TYR 19 13.154 1.970 -7.890 122 HE1 TYR 19 HE2 TYR 19 11.772 4.631 -11.791 123 HE2 TYR 19 HE1 TYR 19 13.514 1.094 -10.160 124 HH TYR 19 HH TYR 19 13.554 1.654 -12.365 125 H GLY 20 H GLY 20 13.949 6.171 -4.504 126 HA2 GLY 20 2HA GLY 20 13.377 7.836 -2.992 127 HA3 GLY 20 3HA GLY 20 12.086 8.334 -4.075 128 H TYR 21 H TYR 21 11.970 5.026 -3.519 129 HA TYR 21 HA TYR 21 9.791 5.407 -1.585 130 HB2 TYR 21 2HB TYR 21 10.320 2.990 -3.320 131 HB3 TYR 21 3HB TYR 21 8.872 3.324 -2.377 132 HD1 TYR 21 HD2 TYR 21 8.395 6.164 -3.058 133 HD2 TYR 21 HD1 TYR 21 9.558 2.897 -5.524 134 HE1 TYR 21 HE2 TYR 21 7.382 7.278 -5.002 135 HE2 TYR 21 HE1 TYR 21 8.549 4.003 -7.475 136 HH TYR 21 HH TYR 21 7.012 5.666 -8.059 137 H CYS 22 H CYS 22 9.783 4.396 0.357 138 HA CYS 22 HA CYS 22 12.274 3.356 1.329 139 HB2 CYS 22 2HB CYS 22 9.624 3.333 2.774 140 HB3 CYS 22 3HB CYS 22 11.237 3.317 3.479 141 H GLY 23 H GLY 23 12.586 1.280 2.305 142 HA2 GLY 23 2HA GLY 23 10.788 -0.840 2.284 143 HA3 GLY 23 3HA GLY 23 11.598 -0.858 0.724 144 H SER 24 H SER 24 12.432 -2.941 1.343 145 HA SER 24 HA SER 24 14.824 -2.691 3.036 146 HB2 SER 24 2HB SER 24 12.941 -3.905 4.209 147 HB3 SER 24 3HB SER 24 13.073 -5.155 2.972 148 HG SER 24 HG SER 24 14.589 -4.763 5.166 149 H GLY 25 H GLY 25 15.948 -5.123 2.715 150 HA2 GLY 25 2HA GLY 25 16.785 -6.665 1.146 151 HA3 GLY 25 3HA GLY 25 15.989 -5.762 -0.134 152 HA PRO 26 HA PRO 26 20.453 -4.665 0.032 153 HB2 PRO 26 2HB PRO 26 21.406 -6.006 -2.150 154 HB3 PRO 26 3HB PRO 26 21.546 -6.616 -0.513 155 HG2 PRO 26 2HG PRO 26 19.715 -7.486 -2.665 156 HG3 PRO 26 3HG PRO 26 20.168 -8.334 -1.199 157 HD2 PRO 26 2HD PRO 26 17.700 -6.958 -1.693 158 HD3 PRO 26 3HD PRO 26 18.200 -7.705 -0.189 159 H ALA 27 H ALA 27 18.090 -4.798 -2.333 160 HA ALA 27 HA ALA 27 19.321 -2.865 -4.077 161 HB1 ALA 27 1HB ALA 27 17.416 -3.078 -5.439 162 HB2 ALA 27 2HB ALA 27 17.698 -4.689 -4.778 163 HB3 ALA 27 3HB ALA 27 16.427 -3.670 -4.104 164 H TYR 28 H TYR 28 17.900 -2.618 -1.109 165 HA TYR 28 HA TYR 28 16.935 0.114 -1.651 166 HB2 TYR 28 2HB TYR 28 16.002 -1.949 0.333 167 HB3 TYR 28 3HB TYR 28 15.648 -0.239 0.550 168 HD1 TYR 28 HD2 TYR 28 15.511 -2.706 -2.264 169 HD2 TYR 28 HD1 TYR 28 13.540 0.390 -0.112 170 HE1 TYR 28 HE2 TYR 28 13.559 -2.928 -3.744 171 HE2 TYR 28 HE1 TYR 28 11.582 0.176 -1.586 172 HH TYR 28 HH TYR 28 10.826 -2.258 -3.296 173 H CYS 29 H CYS 29 18.709 -1.954 0.595 174 HA CYS 29 HA CYS 29 19.657 0.384 2.068 175 HB2 CYS 29 2HB CYS 29 19.894 -2.585 2.551 176 HB3 CYS 29 3HB CYS 29 20.763 -1.396 3.515 177 H GLY 30 H GLY 30 20.694 -1.906 -0.307 178 HA2 GLY 30 2HA GLY 30 23.513 -1.463 0.071 179 HA3 GLY 30 3HA GLY 30 22.760 -2.327 -1.261 Start of MODEL 2 1 H1 ALA 1 H ALA 1 0.208 0.127 -1.931 2 HA ALA 1 HA ALA 1 2.612 1.143 -2.845 3 HB1 ALA 1 1HB ALA 1 1.992 3.068 -1.145 4 HB2 ALA 1 2HB ALA 1 1.050 2.788 -2.609 5 HB3 ALA 1 3HB ALA 1 0.474 2.174 -1.060 6 H ALA 2 H ALA 2 4.627 1.152 -2.095 7 HA ALA 2 HA ALA 2 5.252 -0.089 0.415 8 HB1 ALA 2 1HB ALA 2 7.293 1.379 -1.189 9 HB2 ALA 2 2HB ALA 2 7.436 -0.136 -0.298 10 HB3 ALA 2 3HB ALA 2 6.579 -0.098 -1.839 11 H GLY 3 H GLY 3 5.698 3.186 -0.923 12 HA2 GLY 3 2HA GLY 3 5.001 4.971 0.724 13 HA3 GLY 3 3HA GLY 3 6.076 4.148 1.844 14 H GLN 4 H GLN 4 5.985 6.898 0.459 15 HA GLN 4 HA GLN 4 8.537 6.895 -0.937 16 HB2 GLN 4 2HB GLN 4 6.657 8.234 -1.813 17 HB3 GLN 4 3HB GLN 4 6.655 9.181 -0.331 18 HG2 GLN 4 2HG GLN 4 8.952 9.917 -0.834 19 HG3 GLN 4 3HG GLN 4 8.875 9.030 -2.356 20 HE21 GLN 4 1HE2 GLN 4 8.839 11.998 -1.261 21 HE22 GLN 4 2HE2 GLN 4 7.725 12.755 -2.342 22 H CYS 5 H CYS 5 10.390 7.894 -0.225 23 HA CYS 5 HA CYS 5 10.803 7.996 2.577 24 HB2 CYS 5 2HB CYS 5 12.604 9.180 0.462 25 HB3 CYS 5 3HB CYS 5 13.060 8.615 2.066 26 H TYR 6 H TYR 6 11.952 9.983 3.560 27 HA TYR 6 HA TYR 6 10.601 12.457 2.722 28 HB2 TYR 6 2HB TYR 6 9.520 11.259 4.727 29 HB3 TYR 6 3HB TYR 6 10.956 11.740 5.625 30 HD1 TYR 6 HD1 TYR 6 11.381 14.095 6.124 31 HD2 TYR 6 HD2 TYR 6 7.863 12.885 4.059 32 HE1 TYR 6 HE1 TYR 6 10.372 16.294 6.567 33 HE2 TYR 6 HE2 TYR 6 6.845 15.081 4.495 34 HH TYR 6 HH TYR 6 8.110 17.283 6.726 35 H ARG 7 H ARG 7 12.222 13.713 2.059 36 HA ARG 7 HA ARG 7 14.252 14.755 1.950 37 HB2 ARG 7 2HB ARG 7 13.602 14.861 4.891 38 HB3 ARG 7 3HB ARG 7 15.011 15.668 4.214 39 HG2 ARG 7 2HG ARG 7 13.315 16.767 2.603 40 HG3 ARG 7 3HG ARG 7 12.114 16.261 3.793 41 HD2 ARG 7 2HD ARG 7 12.610 18.029 5.039 42 HD3 ARG 7 3HD ARG 7 14.266 17.445 5.199 43 HE ARG 7 HE ARG 7 13.912 18.766 2.720 44 HH11 ARG 7 1HH1 ARG 7 14.244 19.372 6.132 45 HH12 ARG 7 2HH1 ARG 7 14.926 20.950 5.918 46 HH21 ARG 7 1HH2 ARG 7 14.809 20.842 2.425 47 HH22 ARG 7 2HH2 ARG 7 15.247 21.785 3.809 48 H GLY 8 H GLY 8 14.422 11.916 1.989 49 HA2 GLY 8 2HA GLY 8 16.202 10.432 1.939 50 HA3 GLY 8 3HA GLY 8 17.196 11.649 2.726 51 H ARG 9 H ARG 9 14.127 10.622 4.039 52 HA ARG 9 HA ARG 9 15.467 8.906 5.993 53 HB2 ARG 9 2HB ARG 9 15.112 11.430 6.717 54 HB3 ARG 9 3HB ARG 9 13.476 10.870 7.034 55 HG2 ARG 9 2HG ARG 9 14.415 9.102 8.494 56 HG3 ARG 9 3HG ARG 9 16.016 9.804 8.246 57 HD2 ARG 9 2HD ARG 9 14.812 12.005 9.029 58 HD3 ARG 9 3HD ARG 9 13.681 10.869 9.764 59 HE ARG 9 HE ARG 9 15.247 10.439 11.362 60 HH11 ARG 9 1HH1 ARG 9 16.846 11.791 8.580 61 HH12 ARG 9 2HH1 ARG 9 18.397 11.872 9.348 62 HH21 ARG 9 1HH2 ARG 9 17.284 10.541 12.384 63 HH22 ARG 9 2HH2 ARG 9 18.645 11.160 11.512 64 H CYS 10 H CYS 10 14.295 7.163 6.549 65 HA CYS 10 HA CYS 10 11.444 7.127 5.807 66 HB2 CYS 10 2HB CYS 10 13.566 5.041 5.339 67 HB3 CYS 10 3HB CYS 10 11.855 4.626 5.369 68 H SER 11 H SER 11 10.100 5.701 7.046 69 HA SER 11 HA SER 11 10.887 5.619 9.825 70 HB2 SER 11 2HB SER 11 8.339 5.173 8.318 71 HB3 SER 11 3HB SER 11 8.481 4.548 9.960 72 HG SER 11 HG SER 11 9.021 6.688 10.620 73 H GLY 12 H GLY 12 10.036 3.546 11.047 74 HA2 GLY 12 2HA GLY 12 10.484 1.352 11.551 75 HA3 GLY 12 3HA GLY 12 10.091 1.026 9.869 76 H GLY 13 H GLY 13 12.721 3.158 10.609 77 HA2 GLY 13 2HA GLY 13 14.972 2.989 10.185 78 HA3 GLY 13 3HA GLY 13 14.838 1.378 10.876 79 H LEU 14 H LEU 14 13.002 2.179 8.049 80 HA LEU 14 HA LEU 14 14.271 0.093 6.553 81 HB2 LEU 14 2HB LEU 14 12.088 2.063 6.009 82 HB3 LEU 14 3HB LEU 14 12.774 1.115 4.691 83 HG LEU 14 HG LEU 14 11.551 -0.108 7.158 84 HD11 LEU 14 1HD1 LEU 14 9.837 1.159 6.025 85 HD12 LEU 14 2HD1 LEU 14 9.591 -0.563 5.735 86 HD13 LEU 14 3HD1 LEU 14 10.295 0.451 4.476 87 HD21 LEU 14 3HD2 LEU 14 11.875 -2.132 6.181 88 HD22 LEU 14 1HD2 LEU 14 13.234 -1.274 5.455 89 HD23 LEU 14 2HD2 LEU 14 11.739 -1.489 4.543 90 H CYS 15 H CYS 15 14.717 0.704 4.100 91 HA CYS 15 HA CYS 15 16.646 2.930 4.148 92 HB2 CYS 15 2HB CYS 15 16.706 0.276 2.720 93 HB3 CYS 15 3HB CYS 15 17.744 1.616 2.242 94 H CYS 16 H CYS 16 16.861 4.230 2.287 95 HA CYS 16 HA CYS 16 14.382 4.523 0.805 96 HB2 CYS 16 2HB CYS 16 15.753 6.435 1.860 97 HB3 CYS 16 3HB CYS 16 16.832 6.242 0.482 98 H SER 17 H SER 17 14.059 3.821 -1.199 99 HA SER 17 HA SER 17 16.190 2.470 -2.602 100 HB2 SER 17 2HB SER 17 14.524 1.585 -4.002 101 HB3 SER 17 3HB SER 17 13.710 1.744 -2.446 102 HG SER 17 HG SER 17 12.366 3.061 -3.358 103 H LYS 18 H LYS 18 16.349 2.838 -5.037 104 HA LYS 18 HA LYS 18 17.209 5.508 -5.478 105 HB2 LYS 18 2HB LYS 18 17.664 4.738 -7.789 106 HB3 LYS 18 3HB LYS 18 18.340 3.667 -6.568 107 HG2 LYS 18 2HG LYS 18 16.876 1.969 -7.045 108 HG3 LYS 18 3HG LYS 18 15.644 3.064 -7.679 109 HD2 LYS 18 2HD LYS 18 16.466 2.953 -9.761 110 HD3 LYS 18 3HD LYS 18 18.133 3.113 -9.204 111 HE2 LYS 18 2HE LYS 18 16.913 0.545 -8.533 112 HE3 LYS 18 3HE LYS 18 17.008 0.847 -10.268 113 HZ1 LYS 18 3HZ LYS 18 19.284 0.901 -10.228 114 HZ2 LYS 18 1HZ LYS 18 18.987 -0.249 -9.022 115 HZ3 LYS 18 2HZ LYS 18 19.373 1.342 -8.597 116 H TYR 19 H TYR 19 14.171 4.108 -5.606 117 HA TYR 19 HA TYR 19 13.182 5.987 -7.629 118 HB2 TYR 19 2HB TYR 19 12.153 3.427 -6.482 119 HB3 TYR 19 3HB TYR 19 10.995 4.593 -7.111 120 HD1 TYR 19 HD2 TYR 19 11.139 5.284 -9.515 121 HD2 TYR 19 HD1 TYR 19 13.454 2.082 -7.937 122 HE1 TYR 19 HE2 TYR 19 11.539 4.457 -11.796 123 HE2 TYR 19 HE1 TYR 19 13.861 1.247 -10.214 124 HH TYR 19 HH TYR 19 12.550 2.936 -13.052 125 H GLY 20 H GLY 20 13.835 6.165 -4.508 126 HA2 GLY 20 2HA GLY 20 13.178 7.773 -2.970 127 HA3 GLY 20 3HA GLY 20 11.854 8.211 -4.039 128 H TYR 21 H TYR 21 11.933 4.894 -3.526 129 HA TYR 21 HA TYR 21 9.747 5.124 -1.576 130 HB2 TYR 21 2HB TYR 21 10.402 2.765 -3.347 131 HB3 TYR 21 3HB TYR 21 8.944 3.002 -2.391 132 HD1 TYR 21 HD2 TYR 21 8.291 5.814 -3.026 133 HD2 TYR 21 HD1 TYR 21 9.639 2.664 -5.549 134 HE1 TYR 21 HE2 TYR 21 7.202 6.895 -4.948 135 HE2 TYR 21 HE1 TYR 21 8.555 3.737 -7.479 136 HH TYR 21 HH TYR 21 7.561 5.619 -8.221 137 H CYS 22 H CYS 22 9.811 4.089 0.352 138 HA CYS 22 HA CYS 22 12.363 3.178 1.294 139 HB2 CYS 22 2HB CYS 22 9.730 2.987 2.757 140 HB3 CYS 22 3HB CYS 22 11.347 3.055 3.451 141 H GLY 23 H GLY 23 12.799 1.111 2.238 142 HA2 GLY 23 2HA GLY 23 11.122 -1.106 2.201 143 HA3 GLY 23 3HA GLY 23 11.921 -1.058 0.637 144 H SER 24 H SER 24 12.877 -3.097 1.219 145 HA SER 24 HA SER 24 15.261 -2.737 2.904 146 HB2 SER 24 2HB SER 24 13.457 -4.072 4.068 147 HB3 SER 24 3HB SER 24 13.652 -5.295 2.813 148 HG SER 24 HG SER 24 15.169 -6.018 4.075 149 H GLY 25 H GLY 25 16.519 -5.096 2.542 150 HA2 GLY 25 2HA GLY 25 17.434 -6.566 0.947 151 HA3 GLY 25 3HA GLY 25 16.579 -5.692 -0.316 152 HA PRO 26 HA PRO 26 20.974 -4.344 -0.158 153 HB2 PRO 26 2HB PRO 26 21.988 -5.599 -2.364 154 HB3 PRO 26 3HB PRO 26 22.174 -6.222 -0.737 155 HG2 PRO 26 2HG PRO 26 20.382 -7.165 -2.891 156 HG3 PRO 26 3HG PRO 26 20.891 -8.006 -1.440 157 HD2 PRO 26 2HD PRO 26 18.346 -6.766 -1.901 158 HD3 PRO 26 3HD PRO 26 18.897 -7.505 -0.411 159 H ALA 27 H ALA 27 18.607 -4.579 -2.512 160 HA ALA 27 HA ALA 27 19.716 -2.555 -4.235 161 HB1 ALA 27 1HB ALA 27 17.615 -2.744 -5.465 162 HB2 ALA 27 2HB ALA 27 18.315 -4.332 -5.149 163 HB3 ALA 27 3HB ALA 27 16.952 -3.762 -4.186 164 H TYR 28 H TYR 28 18.302 -2.430 -1.256 165 HA TYR 28 HA TYR 28 17.180 0.249 -1.754 166 HB2 TYR 28 2HB TYR 28 16.379 -1.891 0.206 167 HB3 TYR 28 3HB TYR 28 15.930 -0.207 0.450 168 HD1 TYR 28 HD2 TYR 28 15.914 -2.638 -2.399 169 HD2 TYR 28 HD1 TYR 28 13.784 0.311 -0.191 170 HE1 TYR 28 HE2 TYR 28 13.969 -2.949 -3.871 171 HE2 TYR 28 HE1 TYR 28 11.832 0.006 -1.656 172 HH TYR 28 HH TYR 28 11.796 -1.123 -4.461 173 H CYS 29 H CYS 29 19.083 -1.745 0.453 174 HA CYS 29 HA CYS 29 19.907 0.623 1.952 175 HB2 CYS 29 2HB CYS 29 20.307 -2.334 2.395 176 HB3 CYS 29 3HB CYS 29 21.122 -1.114 3.366 177 H GLY 30 H GLY 30 21.054 -1.571 -0.461 178 HA2 GLY 30 2HA GLY 30 22.908 -1.324 -1.835 179 HA3 GLY 30 3HA GLY 30 23.416 0.042 -0.853 Start of MODEL 3 1 H1 ALA 1 H ALA 1 1.192 2.539 -1.772 2 HA ALA 1 HA ALA 1 1.740 -0.136 -1.804 3 HB1 ALA 1 1HB ALA 1 3.048 0.231 -3.784 4 HB2 ALA 1 2HB ALA 1 1.690 1.357 -3.786 5 HB3 ALA 1 3HB ALA 1 3.303 1.923 -3.353 6 H ALA 2 H ALA 2 3.693 2.407 -0.466 7 HA ALA 2 HA ALA 2 5.328 0.582 0.962 8 HB1 ALA 2 1HB ALA 2 6.474 1.846 -1.501 9 HB2 ALA 2 2HB ALA 2 7.501 1.423 -0.130 10 HB3 ALA 2 3HB ALA 2 6.576 0.171 -0.958 11 H GLY 3 H GLY 3 5.765 3.818 -0.494 12 HA2 GLY 3 2HA GLY 3 5.183 5.705 1.079 13 HA3 GLY 3 3HA GLY 3 6.193 4.854 2.239 14 H GLN 4 H GLN 4 6.296 7.550 0.755 15 HA GLN 4 HA GLN 4 8.852 7.325 -0.617 16 HB2 GLN 4 2HB GLN 4 6.920 9.600 -0.201 17 HB3 GLN 4 3HB GLN 4 8.508 9.837 -0.918 18 HG2 GLN 4 2HG GLN 4 7.911 8.918 -2.877 19 HG3 GLN 4 3HG GLN 4 6.899 7.692 -2.116 20 HE21 GLN 4 1HE2 GLN 4 6.774 10.130 -4.192 21 HE22 GLN 4 2HE2 GLN 4 5.171 10.713 -3.918 22 H CYS 5 H CYS 5 10.766 8.198 0.084 23 HA CYS 5 HA CYS 5 11.156 8.391 2.884 24 HB2 CYS 5 2HB CYS 5 13.065 9.340 0.745 25 HB3 CYS 5 3HB CYS 5 13.459 8.811 2.377 26 H TYR 6 H TYR 6 11.850 10.194 4.120 27 HA TYR 6 HA TYR 6 10.830 12.754 3.088 28 HB2 TYR 6 2HB TYR 6 10.940 11.559 5.836 29 HB3 TYR 6 3HB TYR 6 10.871 13.307 5.643 30 HD1 TYR 6 HD1 TYR 6 8.875 14.384 4.754 31 HD2 TYR 6 HD2 TYR 6 9.039 10.164 5.270 32 HE1 TYR 6 HE1 TYR 6 6.432 14.265 4.505 33 HE2 TYR 6 HE2 TYR 6 6.596 10.033 5.021 34 HH TYR 6 HH TYR 6 4.579 12.500 5.358 35 H ARG 7 H ARG 7 12.481 13.885 2.269 36 HA ARG 7 HA ARG 7 14.542 14.841 2.026 37 HB2 ARG 7 2HB ARG 7 14.130 15.143 5.005 38 HB3 ARG 7 3HB ARG 7 15.373 15.983 4.087 39 HG2 ARG 7 2HG ARG 7 12.599 16.258 3.112 40 HG3 ARG 7 3HG ARG 7 12.990 17.047 4.641 41 HD2 ARG 7 2HD ARG 7 14.502 17.401 2.055 42 HD3 ARG 7 3HD ARG 7 13.311 18.530 2.700 43 HE ARG 7 HE ARG 7 16.038 18.234 3.529 44 HH11 ARG 7 1HH1 ARG 7 12.850 19.196 4.545 45 HH12 ARG 7 2HH1 ARG 7 13.424 20.252 5.793 46 HH21 ARG 7 1HH2 ARG 7 16.806 19.621 5.169 47 HH22 ARG 7 2HH2 ARG 7 15.675 20.493 6.146 48 H GLY 8 H GLY 8 14.592 11.990 2.310 49 HA2 GLY 8 2HA GLY 8 16.447 10.548 2.208 50 HA3 GLY 8 3HA GLY 8 17.374 11.709 3.146 51 H ARG 9 H ARG 9 14.216 10.850 4.249 52 HA ARG 9 HA ARG 9 15.414 9.098 6.293 53 HB2 ARG 9 2HB ARG 9 13.206 11.129 6.673 54 HB3 ARG 9 3HB ARG 9 13.770 10.004 7.901 55 HG2 ARG 9 2HG ARG 9 15.633 11.952 6.593 56 HG3 ARG 9 3HG ARG 9 14.636 12.406 7.977 57 HD2 ARG 9 2HD ARG 9 16.291 11.614 9.246 58 HD3 ARG 9 3HD ARG 9 15.745 10.010 8.758 59 HE ARG 9 HE ARG 9 17.663 9.791 7.549 60 HH11 ARG 9 1HH1 ARG 9 17.088 13.178 8.109 61 HH12 ARG 9 2HH1 ARG 9 18.585 13.683 7.399 62 HH21 ARG 9 1HH2 ARG 9 19.638 10.443 6.612 63 HH22 ARG 9 2HH2 ARG 9 20.035 12.127 6.547 64 H CYS 10 H CYS 10 13.847 7.615 7.325 65 HA CYS 10 HA CYS 10 11.444 7.027 5.800 66 HB2 CYS 10 2HB CYS 10 13.842 5.217 5.905 67 HB3 CYS 10 3HB CYS 10 12.223 4.556 5.706 68 H SER 11 H SER 11 10.313 5.050 6.797 69 HA SER 11 HA SER 11 10.373 5.410 9.698 70 HB2 SER 11 2HB SER 11 8.311 3.870 8.121 71 HB3 SER 11 3HB SER 11 8.152 4.561 9.736 72 HG SER 11 HG SER 11 7.120 5.864 8.187 73 H GLY 12 H GLY 12 10.080 3.508 11.093 74 HA2 GLY 12 2HA GLY 12 10.889 1.513 11.895 75 HA3 GLY 12 3HA GLY 12 10.403 0.865 10.335 76 H GLY 13 H GLY 13 12.850 3.350 10.727 77 HA2 GLY 13 2HA GLY 13 15.061 3.381 10.103 78 HA3 GLY 13 3HA GLY 13 15.149 1.829 10.921 79 H LEU 14 H LEU 14 13.165 2.434 8.093 80 HA LEU 14 HA LEU 14 14.371 0.243 6.701 81 HB2 LEU 14 2HB LEU 14 12.229 2.232 6.060 82 HB3 LEU 14 3HB LEU 14 12.869 1.174 4.804 83 HG LEU 14 HG LEU 14 11.655 0.157 7.367 84 HD11 LEU 14 1HD1 LEU 14 10.380 1.251 4.997 85 HD12 LEU 14 2HD1 LEU 14 9.689 0.827 6.563 86 HD13 LEU 14 3HD1 LEU 14 9.896 -0.413 5.326 87 HD21 LEU 14 3HD2 LEU 14 11.800 -1.363 4.813 88 HD22 LEU 14 1HD2 LEU 14 11.833 -1.942 6.479 89 HD23 LEU 14 2HD2 LEU 14 13.267 -1.192 5.777 90 H CYS 15 H CYS 15 14.806 0.696 4.217 91 HA CYS 15 HA CYS 15 16.837 2.824 4.137 92 HB2 CYS 15 2HB CYS 15 16.635 0.180 2.701 93 HB3 CYS 15 3HB CYS 15 17.757 1.439 2.197 94 H CYS 16 H CYS 16 17.041 4.123 2.282 95 HA CYS 16 HA CYS 16 14.524 4.577 0.908 96 HB2 CYS 16 2HB CYS 16 16.116 6.374 1.911 97 HB3 CYS 16 3HB CYS 16 17.036 6.151 0.427 98 H SER 17 H SER 17 14.072 3.912 -1.084 99 HA SER 17 HA SER 17 16.050 2.434 -2.581 100 HB2 SER 17 2HB SER 17 14.273 1.667 -3.911 101 HB3 SER 17 3HB SER 17 13.537 1.869 -2.322 102 HG SER 17 HG SER 17 12.245 3.278 -3.170 103 H LYS 18 H LYS 18 16.133 2.805 -5.018 104 HA LYS 18 HA LYS 18 17.143 5.418 -5.486 105 HB2 LYS 18 2HB LYS 18 16.651 3.035 -7.257 106 HB3 LYS 18 3HB LYS 18 17.233 4.560 -7.911 107 HG2 LYS 18 2HG LYS 18 19.141 4.418 -6.291 108 HG3 LYS 18 3HG LYS 18 18.597 2.784 -5.904 109 HD2 LYS 18 2HD LYS 18 18.683 2.519 -8.534 110 HD3 LYS 18 3HD LYS 18 19.845 3.839 -8.391 111 HE2 LYS 18 2HE LYS 18 20.755 2.233 -6.447 112 HE3 LYS 18 3HE LYS 18 20.042 1.022 -7.512 113 HZ1 LYS 18 3HZ LYS 18 21.828 1.169 -8.786 114 HZ2 LYS 18 1HZ LYS 18 22.486 2.372 -7.796 115 HZ3 LYS 18 2HZ LYS 18 21.493 2.797 -9.098 116 H TYR 19 H TYR 19 14.020 4.214 -5.492 117 HA TYR 19 HA TYR 19 13.069 6.155 -7.474 118 HB2 TYR 19 2HB TYR 19 11.921 3.672 -6.271 119 HB3 TYR 19 3HB TYR 19 10.820 4.910 -6.865 120 HD1 TYR 19 HD2 TYR 19 10.730 5.453 -9.251 121 HD2 TYR 19 HD1 TYR 19 13.260 2.360 -7.790 122 HE1 TYR 19 HE2 TYR 19 10.985 4.588 -11.540 123 HE2 TYR 19 HE1 TYR 19 13.524 1.488 -10.075 124 HH TYR 19 HH TYR 19 11.556 2.452 -12.648 125 H GLY 20 H GLY 20 13.855 6.272 -4.373 126 HA2 GLY 20 2HA GLY 20 13.375 7.930 -2.818 127 HA3 GLY 20 3HA GLY 20 12.035 8.449 -3.830 128 H TYR 21 H TYR 21 11.921 5.136 -3.315 129 HA TYR 21 HA TYR 21 9.850 5.505 -1.264 130 HB2 TYR 21 2HB TYR 21 10.267 3.144 -3.107 131 HB3 TYR 21 3HB TYR 21 8.898 3.408 -2.032 132 HD1 TYR 21 HD2 TYR 21 8.033 6.077 -2.475 133 HD2 TYR 21 HD1 TYR 21 9.610 3.322 -5.308 134 HE1 TYR 21 HE2 TYR 21 6.842 7.255 -4.275 135 HE2 TYR 21 HE1 TYR 21 8.424 4.493 -7.116 136 HH TYR 21 HH TYR 21 6.194 6.044 -7.152 137 H CYS 22 H CYS 22 9.938 4.464 0.659 138 HA CYS 22 HA CYS 22 12.465 3.377 1.476 139 HB2 CYS 22 2HB CYS 22 9.886 3.392 3.049 140 HB3 CYS 22 3HB CYS 22 11.526 3.286 3.681 141 H GLY 23 H GLY 23 12.786 1.281 2.427 142 HA2 GLY 23 2HA GLY 23 10.964 -0.814 2.457 143 HA3 GLY 23 3HA GLY 23 11.694 -0.818 0.858 144 H SER 24 H SER 24 12.534 -2.919 1.398 145 HA SER 24 HA SER 24 15.009 -2.729 2.974 146 HB2 SER 24 2HB SER 24 13.170 -3.939 4.219 147 HB3 SER 24 3HB SER 24 13.225 -5.170 2.957 148 HG SER 24 HG SER 24 14.669 -5.155 5.074 149 H GLY 25 H GLY 25 16.082 -5.169 2.558 150 HA2 GLY 25 2HA GLY 25 16.825 -6.693 0.926 151 HA3 GLY 25 3HA GLY 25 15.971 -5.765 -0.298 152 HA PRO 26 HA PRO 26 20.448 -4.710 -0.353 153 HB2 PRO 26 2HB PRO 26 21.270 -6.026 -2.603 154 HB3 PRO 26 3HB PRO 26 21.491 -6.662 -0.985 155 HG2 PRO 26 2HG PRO 26 19.540 -7.482 -3.049 156 HG3 PRO 26 3HG PRO 26 20.062 -8.356 -1.622 157 HD2 PRO 26 2HD PRO 26 17.585 -6.951 -1.964 158 HD3 PRO 26 3HD PRO 26 18.157 -7.726 -0.500 159 H ALA 27 H ALA 27 17.958 -4.781 -2.586 160 HA ALA 27 HA ALA 27 19.114 -2.837 -4.369 161 HB1 ALA 27 1HB ALA 27 16.230 -3.688 -4.214 162 HB2 ALA 27 2HB ALA 27 17.070 -2.960 -5.584 163 HB3 ALA 27 3HB ALA 27 17.474 -4.598 -5.071 164 H TYR 28 H TYR 28 17.861 -2.618 -1.323 165 HA TYR 28 HA TYR 28 16.910 0.135 -1.771 166 HB2 TYR 28 2HB TYR 28 16.050 -1.946 0.227 167 HB3 TYR 28 3HB TYR 28 15.733 -0.235 0.489 168 HD1 TYR 28 HD1 TYR 28 15.411 -2.659 -2.348 169 HD2 TYR 28 HD2 TYR 28 13.607 0.441 -0.060 170 HE1 TYR 28 HE1 TYR 28 13.382 -2.831 -3.727 171 HE2 TYR 28 HE2 TYR 28 11.572 0.278 -1.433 172 HH TYR 28 HH TYR 28 10.607 -0.681 -3.187 173 H CYS 29 H CYS 29 18.767 -1.996 0.345 174 HA CYS 29 HA CYS 29 19.827 0.304 1.803 175 HB2 CYS 29 2HB CYS 29 20.055 -2.676 2.227 176 HB3 CYS 29 3HB CYS 29 20.971 -1.506 3.171 177 H GLY 30 H GLY 30 20.700 -1.961 -0.660 178 HA2 GLY 30 2HA GLY 30 22.503 -1.854 -2.116 179 HA3 GLY 30 3HA GLY 30 23.145 -0.517 -1.172 Start of MODEL 4 1 H1 ALA 1 H ALA 1 2.682 -0.808 -4.573 2 HA ALA 1 HA ALA 1 3.012 1.440 -2.967 3 HB1 ALA 1 1HB ALA 1 1.492 -1.107 -2.441 4 HB2 ALA 1 2HB ALA 1 1.369 0.342 -1.443 5 HB3 ALA 1 3HB ALA 1 0.870 0.391 -3.134 6 H ALA 2 H ALA 2 4.112 1.876 -1.144 7 HA ALA 2 HA ALA 2 5.000 -0.082 0.703 8 HB1 ALA 2 1HB ALA 2 6.559 -0.376 -1.319 9 HB2 ALA 2 2HB ALA 2 7.279 1.150 -0.805 10 HB3 ALA 2 3HB ALA 2 7.286 -0.239 0.282 11 H GLY 3 H GLY 3 5.518 3.142 -0.657 12 HA2 GLY 3 2HA GLY 3 4.843 4.933 0.992 13 HA3 GLY 3 3HA GLY 3 5.969 4.142 2.085 14 H GLN 4 H GLN 4 5.782 6.873 0.675 15 HA GLN 4 HA GLN 4 8.287 6.900 -0.804 16 HB2 GLN 4 2HB GLN 4 6.093 8.884 -0.330 17 HB3 GLN 4 3HB GLN 4 7.667 9.442 -0.879 18 HG2 GLN 4 2HG GLN 4 7.461 7.807 -2.779 19 HG3 GLN 4 3HG GLN 4 5.788 7.563 -2.278 20 HE21 GLN 4 1HE2 GLN 4 5.748 8.340 -4.654 21 HE22 GLN 4 2HE2 GLN 4 5.495 10.035 -4.867 22 H CYS 5 H CYS 5 10.157 7.869 -0.140 23 HA CYS 5 HA CYS 5 10.625 8.058 2.649 24 HB2 CYS 5 2HB CYS 5 12.395 9.155 0.461 25 HB3 CYS 5 3HB CYS 5 12.878 8.638 2.073 26 H TYR 6 H TYR 6 11.836 10.072 3.523 27 HA TYR 6 HA TYR 6 10.470 12.524 2.647 28 HB2 TYR 6 2HB TYR 6 9.552 11.312 4.794 29 HB3 TYR 6 3HB TYR 6 10.951 12.053 5.564 30 HD1 TYR 6 HD1 TYR 6 7.717 12.677 3.958 31 HD2 TYR 6 HD2 TYR 6 11.081 14.458 5.859 32 HE1 TYR 6 HE1 TYR 6 6.459 14.777 4.204 33 HE2 TYR 6 HE2 TYR 6 9.833 16.562 6.111 34 HH TYR 6 HH TYR 6 6.458 16.835 5.043 35 H ARG 7 H ARG 7 12.127 13.653 1.820 36 HA ARG 7 HA ARG 7 14.171 14.650 1.602 37 HB2 ARG 7 2HB ARG 7 12.960 15.828 3.583 38 HB3 ARG 7 3HB ARG 7 14.159 15.015 4.581 39 HG2 ARG 7 2HG ARG 7 15.772 16.102 2.732 40 HG3 ARG 7 3HG ARG 7 14.458 17.280 2.722 41 HD2 ARG 7 2HD ARG 7 14.972 18.053 4.769 42 HD3 ARG 7 3HD ARG 7 15.316 16.441 5.395 43 HE ARG 7 HE ARG 7 17.348 17.321 3.611 44 HH11 ARG 7 1HH1 ARG 7 16.154 17.676 6.861 45 HH12 ARG 7 2HH1 ARG 7 17.697 18.107 7.521 46 HH21 ARG 7 1HH2 ARG 7 19.386 17.887 4.467 47 HH22 ARG 7 2HH2 ARG 7 19.535 18.228 6.157 48 H GLY 8 H GLY 8 14.380 11.873 1.782 49 HA2 GLY 8 2HA GLY 8 16.153 10.384 1.866 50 HA3 GLY 8 3HA GLY 8 17.123 11.636 2.626 51 H ARG 9 H ARG 9 14.026 10.775 3.944 52 HA ARG 9 HA ARG 9 15.292 9.105 5.992 53 HB2 ARG 9 2HB ARG 9 13.526 11.488 6.582 54 HB3 ARG 9 3HB ARG 9 14.101 10.331 7.774 55 HG2 ARG 9 2HG ARG 9 16.404 11.196 6.494 56 HG3 ARG 9 3HG ARG 9 15.416 12.648 6.663 57 HD2 ARG 9 2HD ARG 9 15.447 12.567 8.957 58 HD3 ARG 9 3HD ARG 9 15.685 10.821 8.998 59 HE ARG 9 HE ARG 9 17.966 11.992 7.884 60 HH11 ARG 9 1HH1 ARG 9 16.278 11.849 10.926 61 HH12 ARG 9 2HH1 ARG 9 17.709 12.071 11.878 62 HH21 ARG 9 1HH2 ARG 9 19.856 12.284 9.127 63 HH22 ARG 9 2HH2 ARG 9 19.743 12.319 10.854 64 H CYS 10 H CYS 10 14.182 7.289 6.230 65 HA CYS 10 HA CYS 10 11.337 7.269 5.474 66 HB2 CYS 10 2HB CYS 10 13.470 5.146 5.372 67 HB3 CYS 10 3HB CYS 10 11.759 4.732 5.317 68 H SER 11 H SER 11 10.079 5.480 6.639 69 HA SER 11 HA SER 11 10.533 5.837 9.505 70 HB2 SER 11 2HB SER 11 8.285 6.298 8.313 71 HB3 SER 11 3HB SER 11 8.105 4.544 8.279 72 HG SER 11 HG SER 11 7.270 5.868 10.176 73 H GLY 12 H GLY 12 9.852 3.907 10.897 74 HA2 GLY 12 2HA GLY 12 10.358 1.792 11.631 75 HA3 GLY 12 3HA GLY 12 9.955 1.272 10.001 76 H GLY 13 H GLY 13 12.551 3.524 10.579 77 HA2 GLY 13 2HA GLY 13 14.805 3.368 10.170 78 HA3 GLY 13 3HA GLY 13 14.696 1.793 10.942 79 H LEU 14 H LEU 14 12.847 2.410 8.079 80 HA LEU 14 HA LEU 14 14.159 0.277 6.692 81 HB2 LEU 14 2HB LEU 14 11.947 2.182 6.023 82 HB3 LEU 14 3HB LEU 14 12.638 1.135 4.785 83 HG LEU 14 HG LEU 14 11.375 0.148 7.341 84 HD11 LEU 14 1HD1 LEU 14 9.783 1.315 5.819 85 HD12 LEU 14 2HD1 LEU 14 9.434 -0.396 6.061 86 HD13 LEU 14 3HD1 LEU 14 10.201 0.144 4.567 87 HD21 LEU 14 3HD2 LEU 14 13.121 -1.124 5.636 88 HD22 LEU 14 1HD2 LEU 14 11.539 -1.638 5.048 89 HD23 LEU 14 2HD2 LEU 14 11.985 -1.911 6.733 90 H CYS 15 H CYS 15 14.613 0.751 4.221 91 HA CYS 15 HA CYS 15 16.509 3.002 4.156 92 HB2 CYS 15 2HB CYS 15 16.548 0.323 2.766 93 HB3 CYS 15 3HB CYS 15 17.612 1.648 2.305 94 H CYS 16 H CYS 16 16.664 4.278 2.288 95 HA CYS 16 HA CYS 16 14.173 4.508 0.823 96 HB2 CYS 16 2HB CYS 16 15.576 6.447 1.807 97 HB3 CYS 16 3HB CYS 16 16.601 6.230 0.393 98 H SER 17 H SER 17 13.823 3.762 -1.161 99 HA SER 17 HA SER 17 15.933 2.372 -2.556 100 HB2 SER 17 2HB SER 17 14.249 1.457 -3.914 101 HB3 SER 17 3HB SER 17 13.456 1.653 -2.352 102 HG SER 17 HG SER 17 12.098 2.941 -3.282 103 H LYS 18 H LYS 18 16.069 2.677 -4.999 104 HA LYS 18 HA LYS 18 16.921 5.338 -5.517 105 HB2 LYS 18 2HB LYS 18 17.755 3.085 -6.524 106 HB3 LYS 18 3HB LYS 18 16.447 3.309 -7.679 107 HG2 LYS 18 2HG LYS 18 17.392 5.331 -8.487 108 HG3 LYS 18 3HG LYS 18 18.572 5.375 -7.175 109 HD2 LYS 18 2HD LYS 18 19.196 2.996 -8.206 110 HD3 LYS 18 3HD LYS 18 18.543 3.755 -9.659 111 HE2 LYS 18 2HE LYS 18 20.404 5.412 -8.092 112 HE3 LYS 18 3HE LYS 18 21.114 3.981 -8.837 113 HZ1 LYS 18 3HZ LYS 18 20.264 6.420 -10.053 114 HZ2 LYS 18 1HZ LYS 18 19.562 5.074 -10.801 115 HZ3 LYS 18 2HZ LYS 18 21.245 5.191 -10.678 116 H TYR 19 H TYR 19 13.886 3.932 -5.577 117 HA TYR 19 HA TYR 19 12.874 5.734 -7.656 118 HB2 TYR 19 2HB TYR 19 11.844 3.238 -6.374 119 HB3 TYR 19 3HB TYR 19 10.688 4.379 -7.051 120 HD1 TYR 19 HD1 TYR 19 11.682 5.303 -9.492 121 HD2 TYR 19 HD2 TYR 19 12.251 1.455 -7.768 122 HE1 TYR 19 HE1 TYR 19 12.058 4.361 -11.733 123 HE2 TYR 19 HE2 TYR 19 12.630 0.503 -10.003 124 HH TYR 19 HH TYR 19 13.163 2.421 -12.752 125 H GLY 20 H GLY 20 13.523 5.948 -4.498 126 HA2 GLY 20 2HA GLY 20 12.916 7.668 -3.047 127 HA3 GLY 20 3HA GLY 20 11.570 8.055 -4.108 128 H TYR 21 H TYR 21 11.647 4.766 -3.474 129 HA TYR 21 HA TYR 21 9.523 5.078 -1.467 130 HB2 TYR 21 2HB TYR 21 10.110 2.787 -3.352 131 HB3 TYR 21 3HB TYR 21 8.812 2.803 -2.163 132 HD1 TYR 21 HD1 TYR 21 10.082 4.612 -5.157 133 HD2 TYR 21 HD2 TYR 21 6.723 3.699 -2.710 134 HE1 TYR 21 HE1 TYR 21 8.601 5.689 -6.798 135 HE2 TYR 21 HE2 TYR 21 5.233 4.772 -4.346 136 HH TYR 21 HH TYR 21 5.802 5.282 -7.297 137 H CYS 22 H CYS 22 9.636 4.094 0.486 138 HA CYS 22 HA CYS 22 12.207 3.182 1.373 139 HB2 CYS 22 2HB CYS 22 9.619 3.054 2.920 140 HB3 CYS 22 3HB CYS 22 11.258 3.125 3.561 141 H GLY 23 H GLY 23 12.646 1.136 2.370 142 HA2 GLY 23 2HA GLY 23 10.945 -1.064 2.428 143 HA3 GLY 23 3HA GLY 23 11.714 -1.067 0.848 144 H SER 24 H SER 24 12.663 -3.098 1.465 145 HA SER 24 HA SER 24 15.077 -2.720 3.102 146 HB2 SER 24 2HB SER 24 13.282 -4.021 4.317 147 HB3 SER 24 3HB SER 24 13.450 -5.268 3.082 148 HG SER 24 HG SER 24 15.043 -4.713 5.222 149 H GLY 25 H GLY 25 16.318 -5.089 2.767 150 HA2 GLY 25 2HA GLY 25 17.207 -6.591 1.189 151 HA3 GLY 25 3HA GLY 25 16.331 -5.744 -0.078 152 HA PRO 26 HA PRO 26 20.730 -4.399 -0.024 153 HB2 PRO 26 2HB PRO 26 21.708 -5.706 -2.216 154 HB3 PRO 26 3HB PRO 26 21.919 -6.291 -0.578 155 HG2 PRO 26 2HG PRO 26 20.092 -7.283 -2.679 156 HG3 PRO 26 3HG PRO 26 20.624 -8.090 -1.217 157 HD2 PRO 26 2HD PRO 26 18.072 -6.860 -1.666 158 HD3 PRO 26 3HD PRO 26 18.648 -7.563 -0.168 159 H ALA 27 H ALA 27 18.323 -4.685 -2.330 160 HA ALA 27 HA ALA 27 19.404 -2.707 -4.122 161 HB1 ALA 27 1HB ALA 27 16.623 -3.868 -3.999 162 HB2 ALA 27 2HB ALA 27 17.310 -2.935 -5.329 163 HB3 ALA 27 3HB ALA 27 17.966 -4.523 -4.935 164 H TYR 28 H TYR 28 18.044 -2.506 -1.121 165 HA TYR 28 HA TYR 28 16.925 0.167 -1.663 166 HB2 TYR 28 2HB TYR 28 16.145 -1.923 0.359 167 HB3 TYR 28 3HB TYR 28 15.705 -0.231 0.568 168 HD1 TYR 28 HD2 TYR 28 15.637 -2.738 -2.214 169 HD2 TYR 28 HD1 TYR 28 13.554 0.282 -0.059 170 HE1 TYR 28 HE2 TYR 28 13.669 -3.079 -3.649 171 HE2 TYR 28 HE1 TYR 28 11.580 -0.052 -1.488 172 HH TYR 28 HH TYR 28 11.031 -0.923 -3.695 173 H CYS 29 H CYS 29 18.852 -1.787 0.560 174 HA CYS 29 HA CYS 29 19.711 0.611 1.990 175 HB2 CYS 29 2HB CYS 29 20.120 -2.336 2.497 176 HB3 CYS 29 3HB CYS 29 20.928 -1.087 3.437 177 H GLY 30 H GLY 30 20.807 -1.642 -0.390 178 HA2 GLY 30 2HA GLY 30 22.641 -1.433 -1.798 179 HA3 GLY 30 3HA GLY 30 23.176 -0.055 -0.848 Start of MODEL 5 1 H1 ALA 1 H ALA 1 2.057 2.304 -0.729 2 HA ALA 1 HA ALA 1 1.121 0.151 0.814 3 HB1 ALA 1 1HB ALA 1 1.907 -0.483 -1.972 4 HB2 ALA 1 2HB ALA 1 2.454 -1.580 -0.704 5 HB3 ALA 1 3HB ALA 1 0.732 -1.268 -0.917 6 H ALA 2 H ALA 2 3.958 0.812 -1.254 7 HA ALA 2 HA ALA 2 5.833 -0.028 0.702 8 HB1 ALA 2 1HB ALA 2 6.391 -0.076 -1.650 9 HB2 ALA 2 2HB ALA 2 6.215 1.676 -1.756 10 HB3 ALA 2 3HB ALA 2 7.516 0.977 -0.791 11 H GLY 3 H GLY 3 5.500 3.253 -0.663 12 HA2 GLY 3 2HA GLY 3 5.010 5.133 0.827 13 HA3 GLY 3 3HA GLY 3 5.954 4.309 2.058 14 H GLN 4 H GLN 4 6.119 6.986 0.542 15 HA GLN 4 HA GLN 4 8.761 6.772 -0.659 16 HB2 GLN 4 2HB GLN 4 7.019 8.163 -1.731 17 HB3 GLN 4 3HB GLN 4 6.984 9.191 -0.305 18 HG2 GLN 4 2HG GLN 4 9.436 9.628 -0.718 19 HG3 GLN 4 3HG GLN 4 9.216 8.843 -2.280 20 HE21 GLN 4 1HE2 GLN 4 8.967 11.716 -0.538 21 HE22 GLN 4 2HE2 GLN 4 8.162 12.666 -1.736 22 H CYS 5 H CYS 5 10.609 7.739 0.128 23 HA CYS 5 HA CYS 5 10.838 7.944 2.945 24 HB2 CYS 5 2HB CYS 5 12.826 8.966 0.914 25 HB3 CYS 5 3HB CYS 5 13.149 8.446 2.565 26 H TYR 6 H TYR 6 12.143 9.966 3.813 27 HA TYR 6 HA TYR 6 10.832 12.420 2.862 28 HB2 TYR 6 2HB TYR 6 9.717 11.428 4.917 29 HB3 TYR 6 3HB TYR 6 11.206 11.777 5.788 30 HD1 TYR 6 HD1 TYR 6 8.620 13.448 3.680 31 HD2 TYR 6 HD2 TYR 6 11.462 13.839 6.822 32 HE1 TYR 6 HE1 TYR 6 7.827 15.737 4.104 33 HE2 TYR 6 HE2 TYR 6 10.676 16.129 7.255 34 HH TYR 6 HH TYR 6 7.882 17.322 6.325 35 H ARG 7 H ARG 7 12.657 13.248 1.917 36 HA ARG 7 HA ARG 7 14.751 14.140 1.721 37 HB2 ARG 7 2HB ARG 7 13.433 15.673 3.347 38 HB3 ARG 7 3HB ARG 7 14.482 14.997 4.586 39 HG2 ARG 7 2HG ARG 7 16.419 15.889 3.565 40 HG3 ARG 7 3HG ARG 7 15.534 16.306 2.096 41 HD2 ARG 7 2HD ARG 7 14.271 17.984 3.280 42 HD3 ARG 7 3HD ARG 7 15.004 17.504 4.810 43 HE ARG 7 HE ARG 7 16.993 18.261 2.940 44 HH11 ARG 7 1HH1 ARG 7 14.546 19.576 5.038 45 HH12 ARG 7 2HH1 ARG 7 15.355 21.094 5.247 46 HH21 ARG 7 1HH2 ARG 7 18.068 20.255 3.207 47 HH22 ARG 7 2HH2 ARG 7 17.358 21.479 4.204 48 H GLY 8 H GLY 8 14.722 11.397 2.533 49 HA2 GLY 8 2HA GLY 8 16.613 10.011 2.868 50 HA3 GLY 8 3HA GLY 8 17.367 11.304 3.789 51 H ARG 9 H ARG 9 14.088 10.650 4.531 52 HA ARG 9 HA ARG 9 14.905 9.059 6.872 53 HB2 ARG 9 2HB ARG 9 12.869 11.294 6.788 54 HB3 ARG 9 3HB ARG 9 13.156 10.248 8.172 55 HG2 ARG 9 2HG ARG 9 15.261 11.164 8.582 56 HG3 ARG 9 3HG ARG 9 15.365 11.873 6.969 57 HD2 ARG 9 2HD ARG 9 14.935 13.583 8.653 58 HD3 ARG 9 3HD ARG 9 13.580 13.438 7.534 59 HE ARG 9 HE ARG 9 13.118 11.802 9.774 60 HH11 ARG 9 1HH1 ARG 9 13.262 15.162 8.876 61 HH12 ARG 9 2HH1 ARG 9 12.144 15.672 10.098 62 HH21 ARG 9 1HH2 ARG 9 11.644 12.460 11.387 63 HH22 ARG 9 2HH2 ARG 9 11.225 14.134 11.526 64 H CYS 10 H CYS 10 14.096 7.087 6.602 65 HA CYS 10 HA CYS 10 11.456 6.787 5.349 66 HB2 CYS 10 2HB CYS 10 13.861 5.022 5.561 67 HB3 CYS 10 3HB CYS 10 12.274 4.278 5.385 68 H SER 11 H SER 11 10.434 4.564 6.220 69 HA SER 11 HA SER 11 9.600 5.138 8.872 70 HB2 SER 11 2HB SER 11 8.524 2.770 8.599 71 HB3 SER 11 3HB SER 11 7.942 4.105 7.605 72 HG SER 11 HG SER 11 8.523 2.997 5.931 73 H GLY 12 H GLY 12 10.289 4.385 10.786 74 HA2 GLY 12 2HA GLY 12 11.695 3.394 12.312 75 HA3 GLY 12 3HA GLY 12 11.432 1.939 11.361 76 H GLY 13 H GLY 13 13.146 1.048 10.405 77 HA2 GLY 13 2HA GLY 13 15.521 2.752 9.979 78 HA3 GLY 13 3HA GLY 13 15.650 1.148 10.684 79 H LEU 14 H LEU 14 13.491 1.991 8.044 80 HA LEU 14 HA LEU 14 14.531 -0.131 6.431 81 HB2 LEU 14 2HB LEU 14 12.438 1.976 6.038 82 HB3 LEU 14 3HB LEU 14 12.944 0.942 4.704 83 HG LEU 14 HG LEU 14 11.826 -0.099 7.303 84 HD11 LEU 14 1HD1 LEU 14 10.098 -0.420 5.034 85 HD12 LEU 14 2HD1 LEU 14 10.450 1.287 5.299 86 HD13 LEU 14 3HD1 LEU 14 9.765 0.316 6.601 87 HD21 LEU 14 3HD2 LEU 14 11.747 -1.605 4.753 88 HD22 LEU 14 1HD2 LEU 14 11.951 -2.181 6.407 89 HD23 LEU 14 2HD2 LEU 14 13.311 -1.452 5.554 90 H CYS 15 H CYS 15 14.856 0.455 3.972 91 HA CYS 15 HA CYS 15 16.871 2.603 3.883 92 HB2 CYS 15 2HB CYS 15 16.716 -0.039 2.435 93 HB3 CYS 15 3HB CYS 15 17.794 1.254 1.921 94 H CYS 16 H CYS 16 16.997 3.917 2.033 95 HA CYS 16 HA CYS 16 14.441 4.292 0.705 96 HB2 CYS 16 2HB CYS 16 16.096 6.108 1.697 97 HB3 CYS 16 3HB CYS 16 16.826 5.985 0.099 98 H SER 17 H SER 17 13.985 3.644 -1.293 99 HA SER 17 HA SER 17 15.988 2.242 -2.828 100 HB2 SER 17 2HB SER 17 14.219 1.440 -4.149 101 HB3 SER 17 3HB SER 17 13.496 1.599 -2.548 102 HG SER 17 HG SER 17 12.155 2.984 -3.359 103 H LYS 18 H LYS 18 16.032 2.642 -5.261 104 HA LYS 18 HA LYS 18 16.960 5.289 -5.711 105 HB2 LYS 18 2HB LYS 18 16.415 3.033 -7.648 106 HB3 LYS 18 3HB LYS 18 17.235 4.531 -8.068 107 HG2 LYS 18 2HG LYS 18 18.273 2.843 -5.835 108 HG3 LYS 18 3HG LYS 18 18.618 2.410 -7.511 109 HD2 LYS 18 2HD LYS 18 19.070 5.229 -6.698 110 HD3 LYS 18 3HD LYS 18 20.203 4.015 -6.098 111 HE2 LYS 18 2HE LYS 18 19.521 3.892 -8.973 112 HE3 LYS 18 3HE LYS 18 20.492 5.268 -8.452 113 HZ1 LYS 18 3HZ LYS 18 22.207 3.881 -8.669 114 HZ2 LYS 18 1HZ LYS 18 21.227 2.502 -8.709 115 HZ3 LYS 18 2HZ LYS 18 21.686 3.171 -7.225 116 H TYR 19 H TYR 19 13.873 3.993 -5.697 117 HA TYR 19 HA TYR 19 12.844 5.925 -7.648 118 HB2 TYR 19 2HB TYR 19 11.806 3.387 -6.475 119 HB3 TYR 19 3HB TYR 19 10.638 4.601 -6.984 120 HD1 TYR 19 HD1 TYR 19 11.144 5.600 -9.415 121 HD2 TYR 19 HD2 TYR 19 12.416 1.788 -8.018 122 HE1 TYR 19 HE1 TYR 19 11.341 4.821 -11.740 123 HE2 TYR 19 HE2 TYR 19 12.618 0.999 -10.339 124 HH TYR 19 HH TYR 19 11.390 2.794 -13.004 125 H GLY 20 H GLY 20 13.658 6.025 -4.548 126 HA2 GLY 20 2HA GLY 20 13.155 7.664 -2.979 127 HA3 GLY 20 3HA GLY 20 11.786 8.150 -3.967 128 H TYR 21 H TYR 21 11.772 4.832 -3.482 129 HA TYR 21 HA TYR 21 9.724 5.123 -1.396 130 HB2 TYR 21 2HB TYR 21 10.182 2.791 -3.266 131 HB3 TYR 21 3HB TYR 21 8.823 3.005 -2.168 132 HD1 TYR 21 HD2 TYR 21 7.869 5.648 -2.572 133 HD2 TYR 21 HD1 TYR 21 9.490 2.972 -5.456 134 HE1 TYR 21 HE2 TYR 21 6.616 6.806 -4.343 135 HE2 TYR 21 HE1 TYR 21 8.243 4.125 -7.235 136 HH TYR 21 HH TYR 21 7.198 6.237 -7.679 137 H CYS 22 H CYS 22 9.876 4.075 0.519 138 HA CYS 22 HA CYS 22 12.444 3.051 1.284 139 HB2 CYS 22 2HB CYS 22 9.894 2.982 2.903 140 HB3 CYS 22 3HB CYS 22 11.548 2.925 3.504 141 H GLY 23 H GLY 23 12.832 0.959 2.224 142 HA2 GLY 23 2HA GLY 23 11.068 -1.184 2.265 143 HA3 GLY 23 3HA GLY 23 11.775 -1.160 0.656 144 H SER 24 H SER 24 12.679 -3.240 1.168 145 HA SER 24 HA SER 24 15.169 -2.994 2.713 146 HB2 SER 24 2HB SER 24 13.380 -4.260 3.974 147 HB3 SER 24 3HB SER 24 13.451 -5.482 2.704 148 HG SER 24 HG SER 24 15.086 -6.273 3.737 149 H GLY 25 H GLY 25 16.300 -5.403 2.266 150 HA2 GLY 25 2HA GLY 25 17.065 -6.894 0.616 151 HA3 GLY 25 3HA GLY 25 16.165 -5.987 -0.590 152 HA PRO 26 HA PRO 26 20.606 -4.798 -0.713 153 HB2 PRO 26 2HB PRO 26 21.430 -6.078 -2.982 154 HB3 PRO 26 3HB PRO 26 21.697 -6.716 -1.371 155 HG2 PRO 26 2HG PRO 26 19.737 -7.584 -3.407 156 HG3 PRO 26 3HG PRO 26 20.308 -8.448 -1.994 157 HD2 PRO 26 2HD PRO 26 17.785 -7.116 -2.288 158 HD3 PRO 26 3HD PRO 26 18.403 -7.880 -0.837 159 H ALA 27 H ALA 27 18.082 -4.931 -2.902 160 HA ALA 27 HA ALA 27 19.149 -2.949 -4.697 161 HB1 ALA 27 1HB ALA 27 16.249 -3.653 -4.583 162 HB2 ALA 27 2HB ALA 27 17.257 -3.267 -5.978 163 HB3 ALA 27 3HB ALA 27 17.417 -4.831 -5.179 164 H TYR 28 H TYR 28 17.946 -2.777 -1.627 165 HA TYR 28 HA TYR 28 16.918 -0.046 -2.045 166 HB2 TYR 28 2HB TYR 28 16.140 -2.158 -0.045 167 HB3 TYR 28 3HB TYR 28 15.783 -0.456 0.228 168 HD1 TYR 28 HD2 TYR 28 15.480 -2.882 -2.609 169 HD2 TYR 28 HD1 TYR 28 13.633 0.169 -0.289 170 HE1 TYR 28 HE2 TYR 28 13.437 -3.100 -3.960 171 HE2 TYR 28 HE1 TYR 28 11.584 -0.041 -1.633 172 HH TYR 28 HH TYR 28 11.450 -2.140 -4.462 173 H CYS 29 H CYS 29 18.862 -2.142 0.026 174 HA CYS 29 HA CYS 29 19.884 0.173 1.486 175 HB2 CYS 29 2HB CYS 29 20.193 -2.803 1.882 176 HB3 CYS 29 3HB CYS 29 21.100 -1.619 2.818 177 H GLY 30 H GLY 30 20.777 -2.045 -1.011 178 HA2 GLY 30 2HA GLY 30 22.550 -1.866 -2.497 179 HA3 GLY 30 3HA GLY 30 23.180 -0.535 -1.538 Start of MODEL 6 1 H1 ALA 1 H ALA 1 3.095 -0.876 -3.680 2 HA ALA 1 HA ALA 1 1.878 1.118 -2.101 3 HB1 ALA 1 1HB ALA 1 1.534 -1.604 -0.886 4 HB2 ALA 1 2HB ALA 1 0.832 -0.067 -0.377 5 HB3 ALA 1 3HB ALA 1 0.265 -0.851 -1.852 6 H ALA 2 H ALA 2 3.505 1.983 -1.004 7 HA ALA 2 HA ALA 2 5.351 0.396 0.509 8 HB1 ALA 2 1HB ALA 2 6.150 1.499 -2.127 9 HB2 ALA 2 2HB ALA 2 7.314 1.602 -0.805 10 HB3 ALA 2 3HB ALA 2 6.681 0.033 -1.302 11 H GLY 3 H GLY 3 5.579 3.572 -1.106 12 HA2 GLY 3 2HA GLY 3 4.827 5.513 0.317 13 HA3 GLY 3 3HA GLY 3 5.806 4.782 1.580 14 H GLN 4 H GLN 4 5.869 7.390 -0.057 15 HA GLN 4 HA GLN 4 8.508 7.214 -1.269 16 HB2 GLN 4 2HB GLN 4 6.580 9.531 -1.031 17 HB3 GLN 4 3HB GLN 4 8.110 9.581 -1.897 18 HG2 GLN 4 2HG GLN 4 7.305 8.443 -3.663 19 HG3 GLN 4 3HG GLN 4 6.276 7.413 -2.668 20 HE21 GLN 4 1HE2 GLN 4 4.265 7.628 -3.330 21 HE22 GLN 4 2HE2 GLN 4 3.465 9.117 -3.688 22 H CYS 5 H CYS 5 10.332 8.241 -0.526 23 HA CYS 5 HA CYS 5 10.557 8.603 2.276 24 HB2 CYS 5 2HB CYS 5 12.524 9.545 0.187 25 HB3 CYS 5 3HB CYS 5 12.858 9.132 1.865 26 H TYR 6 H TYR 6 11.068 10.503 3.447 27 HA TYR 6 HA TYR 6 9.980 12.945 2.217 28 HB2 TYR 6 2HB TYR 6 9.724 13.667 4.662 29 HB3 TYR 6 3HB TYR 6 8.642 12.406 4.080 30 HD1 TYR 6 HD2 TYR 6 8.894 10.101 4.842 31 HD2 TYR 6 HD1 TYR 6 11.438 13.184 6.301 32 HE1 TYR 6 HE2 TYR 6 9.613 8.631 6.678 33 HE2 TYR 6 HE1 TYR 6 12.166 11.722 8.140 34 HH TYR 6 HH TYR 6 10.665 9.255 9.232 35 H ARG 7 H ARG 7 11.374 14.494 1.734 36 HA ARG 7 HA ARG 7 13.334 15.655 1.570 37 HB2 ARG 7 2HB ARG 7 12.259 16.347 3.821 38 HB3 ARG 7 3HB ARG 7 13.543 15.395 4.556 39 HG2 ARG 7 2HG ARG 7 14.796 17.048 2.674 40 HG3 ARG 7 3HG ARG 7 13.623 18.062 3.518 41 HD2 ARG 7 2HD ARG 7 14.567 17.089 5.669 42 HD3 ARG 7 3HD ARG 7 15.884 16.458 4.682 43 HE ARG 7 HE ARG 7 15.836 19.081 4.035 44 HH11 ARG 7 1HH1 ARG 7 15.949 17.370 7.065 45 HH12 ARG 7 2HH1 ARG 7 16.838 18.612 7.883 46 HH21 ARG 7 1HH2 ARG 7 17.007 20.723 5.101 47 HH22 ARG 7 2HH2 ARG 7 17.439 20.519 6.765 48 H GLY 8 H GLY 8 13.606 12.802 1.332 49 HA2 GLY 8 2HA GLY 8 15.388 11.371 1.000 50 HA3 GLY 8 3HA GLY 8 16.450 12.616 1.640 51 H ARG 9 H ARG 9 13.674 11.272 3.330 52 HA ARG 9 HA ARG 9 15.406 9.646 5.020 53 HB2 ARG 9 2HB ARG 9 15.402 11.846 6.103 54 HB3 ARG 9 3HB ARG 9 13.644 11.845 6.115 55 HG2 ARG 9 2HG ARG 9 14.412 11.270 8.297 56 HG3 ARG 9 3HG ARG 9 13.714 9.826 7.562 57 HD2 ARG 9 2HD ARG 9 16.449 9.866 6.869 58 HD3 ARG 9 3HD ARG 9 16.351 10.235 8.590 59 HE ARG 9 HE ARG 9 14.700 8.027 7.966 60 HH11 ARG 9 1HH1 ARG 9 18.044 8.922 8.335 61 HH12 ARG 9 2HH1 ARG 9 18.555 7.331 8.792 62 HH21 ARG 9 1HH2 ARG 9 15.360 5.928 8.566 63 HH22 ARG 9 2HH2 ARG 9 17.027 5.628 8.922 64 H CYS 10 H CYS 10 14.350 7.973 6.074 65 HA CYS 10 HA CYS 10 11.461 7.720 5.589 66 HB2 CYS 10 2HB CYS 10 13.588 5.645 5.044 67 HB3 CYS 10 3HB CYS 10 11.870 5.269 5.137 68 H SER 11 H SER 11 10.296 6.883 7.240 69 HA SER 11 HA SER 11 11.573 6.651 9.797 70 HB2 SER 11 2HB SER 11 9.219 7.583 9.278 71 HB3 SER 11 3HB SER 11 8.712 5.895 9.236 72 HG SER 11 HG SER 11 8.619 6.026 11.321 73 H GLY 12 H GLY 12 10.354 4.693 11.160 74 HA2 GLY 12 2HA GLY 12 10.535 2.461 11.664 75 HA3 GLY 12 3HA GLY 12 10.090 2.184 9.986 76 H GLY 13 H GLY 13 12.966 3.984 10.683 77 HA2 GLY 13 2HA GLY 13 15.175 3.539 10.247 78 HA3 GLY 13 3HA GLY 13 14.853 1.957 10.941 79 H LEU 14 H LEU 14 13.089 2.958 8.135 80 HA LEU 14 HA LEU 14 14.164 0.759 6.625 81 HB2 LEU 14 2HB LEU 14 12.058 2.828 6.154 82 HB3 LEU 14 3HB LEU 14 12.647 1.846 4.815 83 HG LEU 14 HG LEU 14 11.475 0.678 7.332 84 HD11 LEU 14 1HD1 LEU 14 10.170 1.683 4.851 85 HD12 LEU 14 2HD1 LEU 14 9.622 1.760 6.525 86 HD13 LEU 14 3HD1 LEU 14 9.530 0.239 5.636 87 HD21 LEU 14 3HD2 LEU 14 11.629 -0.610 4.635 88 HD22 LEU 14 1HD2 LEU 14 11.485 -1.359 6.225 89 HD23 LEU 14 2HD2 LEU 14 13.015 -0.639 5.726 90 H CYS 15 H CYS 15 14.538 1.336 4.150 91 HA CYS 15 HA CYS 15 16.516 3.520 4.083 92 HB2 CYS 15 2HB CYS 15 16.575 0.798 2.783 93 HB3 CYS 15 3HB CYS 15 17.636 2.110 2.280 94 H CYS 16 H CYS 16 16.738 4.690 2.130 95 HA CYS 16 HA CYS 16 14.249 4.901 0.649 96 HB2 CYS 16 2HB CYS 16 15.718 6.850 1.580 97 HB3 CYS 16 3HB CYS 16 16.672 6.591 0.122 98 H SER 17 H SER 17 13.911 4.089 -1.312 99 HA SER 17 HA SER 17 16.022 2.628 -2.633 100 HB2 SER 17 2HB SER 17 14.343 1.678 -3.972 101 HB3 SER 17 3HB SER 17 13.535 1.942 -2.427 102 HG SER 17 HG SER 17 12.205 3.219 -3.413 103 H LYS 18 H LYS 18 16.181 2.842 -5.085 104 HA LYS 18 HA LYS 18 17.070 5.471 -5.692 105 HB2 LYS 18 2HB LYS 18 16.793 2.938 -7.288 106 HB3 LYS 18 3HB LYS 18 17.269 4.445 -8.060 107 HG2 LYS 18 2HG LYS 18 19.005 4.423 -6.018 108 HG3 LYS 18 3HG LYS 18 18.776 2.687 -6.236 109 HD2 LYS 18 2HD LYS 18 19.319 4.453 -8.593 110 HD3 LYS 18 3HD LYS 18 20.645 3.900 -7.567 111 HE2 LYS 18 2HE LYS 18 18.722 1.839 -8.445 112 HE3 LYS 18 3HE LYS 18 19.741 2.537 -9.703 113 HZ1 LYS 18 3HZ LYS 18 20.419 0.588 -7.823 114 HZ2 LYS 18 1HZ LYS 18 21.337 1.965 -7.471 115 HZ3 LYS 18 2HZ LYS 18 21.404 1.275 -9.014 116 H TYR 19 H TYR 19 14.017 4.098 -5.729 117 HA TYR 19 HA TYR 19 13.044 5.852 -7.868 118 HB2 TYR 19 2HB TYR 19 11.982 3.392 -6.544 119 HB3 TYR 19 3HB TYR 19 10.841 4.527 -7.258 120 HD1 TYR 19 HD1 TYR 19 13.560 2.159 -7.948 121 HD2 TYR 19 HD2 TYR 19 10.703 4.811 -9.653 122 HE1 TYR 19 HE1 TYR 19 13.959 1.158 -10.159 123 HE2 TYR 19 HE2 TYR 19 11.093 3.816 -11.869 124 HH TYR 19 HH TYR 19 13.063 2.550 -12.996 125 H GLY 20 H GLY 20 13.702 6.215 -4.758 126 HA2 GLY 20 2HA GLY 20 13.074 7.939 -3.334 127 HA3 GLY 20 3HA GLY 20 11.750 8.319 -4.426 128 H TYR 21 H TYR 21 11.792 5.043 -3.693 129 HA TYR 21 HA TYR 21 9.622 5.430 -1.749 130 HB2 TYR 21 2HB TYR 21 10.236 2.975 -3.404 131 HB3 TYR 21 3HB TYR 21 8.808 3.244 -2.411 132 HD1 TYR 21 HD1 TYR 21 7.898 5.874 -3.094 133 HD2 TYR 21 HD2 TYR 21 9.614 2.917 -5.626 134 HE1 TYR 21 HE1 TYR 21 6.737 6.862 -5.024 135 HE2 TYR 21 HE2 TYR 21 8.459 3.898 -7.563 136 HH TYR 21 HH TYR 21 7.481 6.029 -8.240 137 H CYS 22 H CYS 22 9.692 4.531 0.244 138 HA CYS 22 HA CYS 22 12.237 3.634 1.219 139 HB2 CYS 22 2HB CYS 22 9.616 3.598 2.716 140 HB3 CYS 22 3HB CYS 22 11.241 3.674 3.389 141 H GLY 23 H GLY 23 12.639 1.627 2.304 142 HA2 GLY 23 2HA GLY 23 10.916 -0.552 2.425 143 HA3 GLY 23 3HA GLY 23 11.708 -0.628 0.858 144 H SER 24 H SER 24 12.631 -2.639 1.568 145 HA SER 24 HA SER 24 15.025 -2.215 3.222 146 HB2 SER 24 2HB SER 24 13.200 -3.442 4.471 147 HB3 SER 24 3HB SER 24 13.371 -4.745 3.295 148 HG SER 24 HG SER 24 14.881 -5.414 4.591 149 H GLY 25 H GLY 25 16.241 -4.614 3.009 150 HA2 GLY 25 2HA GLY 25 17.131 -6.194 1.511 151 HA3 GLY 25 3HA GLY 25 16.282 -5.394 0.196 152 HA PRO 26 HA PRO 26 20.695 -4.100 0.246 153 HB2 PRO 26 2HB PRO 26 21.682 -5.511 -1.875 154 HB3 PRO 26 3HB PRO 26 21.867 -6.029 -0.211 155 HG2 PRO 26 2HG PRO 26 20.052 -7.088 -2.291 156 HG3 PRO 26 3HG PRO 26 20.557 -7.837 -0.789 157 HD2 PRO 26 2HD PRO 26 18.026 -6.596 -1.322 158 HD3 PRO 26 3HD PRO 26 18.575 -7.242 0.212 159 H ALA 27 H ALA 27 18.311 -4.453 -2.072 160 HA ALA 27 HA ALA 27 19.438 -2.568 -3.934 161 HB1 ALA 27 1HB ALA 27 17.799 -4.527 -4.401 162 HB2 ALA 27 2HB ALA 27 16.556 -3.363 -3.938 163 HB3 ALA 27 3HB ALA 27 17.626 -3.017 -5.297 164 H TYR 28 H TYR 28 18.046 -2.222 -0.962 165 HA TYR 28 HA TYR 28 16.970 0.440 -1.630 166 HB2 TYR 28 2HB TYR 28 16.138 -1.552 0.469 167 HB3 TYR 28 3HB TYR 28 15.720 0.152 0.602 168 HD1 TYR 28 HD1 TYR 28 15.648 -2.465 -2.076 169 HD2 TYR 28 HD2 TYR 28 13.585 0.671 -0.072 170 HE1 TYR 28 HE1 TYR 28 13.691 -2.839 -3.518 171 HE2 TYR 28 HE2 TYR 28 11.622 0.305 -1.508 172 HH TYR 28 HH TYR 28 10.641 -1.413 -2.882 173 H CYS 29 H CYS 29 18.849 -1.443 0.692 174 HA CYS 29 HA CYS 29 19.722 1.003 2.032 175 HB2 CYS 29 2HB CYS 29 20.068 -1.927 2.666 176 HB3 CYS 29 3HB CYS 29 20.912 -0.661 3.553 177 H GLY 30 H GLY 30 20.815 -1.362 -0.239 178 HA2 GLY 30 2HA GLY 30 23.621 -0.744 0.078 179 HA3 GLY 30 3HA GLY 30 22.911 -1.781 -1.150 Start of MODEL 7 1 H1 ALA 1 H ALA 1 1.381 1.911 -1.698 2 HA ALA 1 HA ALA 1 1.816 -0.803 -1.584 3 HB1 ALA 1 1HB ALA 1 3.269 1.300 -3.174 4 HB2 ALA 1 2HB ALA 1 3.475 -0.433 -3.426 5 HB3 ALA 1 3HB ALA 1 1.899 0.314 -3.684 6 H ALA 2 H ALA 2 3.962 1.802 -0.567 7 HA ALA 2 HA ALA 2 5.436 -0.023 1.109 8 HB1 ALA 2 1HB ALA 2 7.607 0.341 0.155 9 HB2 ALA 2 2HB ALA 2 6.536 -0.273 -1.105 10 HB3 ALA 2 3HB ALA 2 6.941 1.442 -1.052 11 H GLY 3 H GLY 3 5.669 3.218 -0.377 12 HA2 GLY 3 2HA GLY 3 5.068 5.058 1.248 13 HA3 GLY 3 3HA GLY 3 6.227 4.287 2.320 14 H GLN 4 H GLN 4 6.010 6.981 0.844 15 HA GLN 4 HA GLN 4 8.459 6.947 -0.726 16 HB2 GLN 4 2HB GLN 4 6.259 8.911 -0.264 17 HB3 GLN 4 3HB GLN 4 7.828 9.518 -0.778 18 HG2 GLN 4 2HG GLN 4 7.746 8.300 -2.798 19 HG3 GLN 4 3HG GLN 4 6.370 7.345 -2.249 20 HE21 GLN 4 1HE2 GLN 4 6.687 8.999 -4.638 21 HE22 GLN 4 2HE2 GLN 4 5.406 10.157 -4.588 22 H CYS 5 H CYS 5 10.362 7.907 -0.154 23 HA CYS 5 HA CYS 5 10.931 8.170 2.609 24 HB2 CYS 5 2HB CYS 5 12.636 9.182 0.331 25 HB3 CYS 5 3HB CYS 5 13.168 8.702 1.939 26 H TYR 6 H TYR 6 12.145 10.176 3.428 27 HA TYR 6 HA TYR 6 10.827 12.633 2.495 28 HB2 TYR 6 2HB TYR 6 9.697 11.712 4.535 29 HB3 TYR 6 3HB TYR 6 11.213 11.912 5.406 30 HD1 TYR 6 HD1 TYR 6 8.669 13.819 3.468 31 HD2 TYR 6 HD2 TYR 6 11.703 13.942 6.449 32 HE1 TYR 6 HE1 TYR 6 8.050 16.141 3.994 33 HE2 TYR 6 HE2 TYR 6 11.092 16.263 6.984 34 HH TYR 6 HH TYR 6 9.955 18.210 5.695 35 H ARG 7 H ARG 7 12.519 13.685 1.628 36 HA ARG 7 HA ARG 7 14.585 14.629 1.389 37 HB2 ARG 7 2HB ARG 7 13.389 15.915 3.304 38 HB3 ARG 7 3HB ARG 7 14.548 15.108 4.352 39 HG2 ARG 7 2HG ARG 7 16.308 16.053 2.690 40 HG3 ARG 7 3HG ARG 7 15.015 17.169 2.247 41 HD2 ARG 7 2HD ARG 7 15.417 18.398 4.052 42 HD3 ARG 7 3HD ARG 7 15.164 16.997 5.092 43 HE ARG 7 HE ARG 7 17.760 17.035 3.884 44 HH11 ARG 7 1HH1 ARG 7 15.842 18.253 6.523 45 HH12 ARG 7 2HH1 ARG 7 17.204 18.520 7.560 46 HH21 ARG 7 1HH2 ARG 7 19.561 17.383 5.241 47 HH22 ARG 7 2HH2 ARG 7 19.318 18.026 6.830 48 H GLY 8 H GLY 8 14.623 11.799 1.857 49 HA2 GLY 8 2HA GLY 8 16.477 10.354 1.897 50 HA3 GLY 8 3HA GLY 8 17.381 11.575 2.781 51 H ARG 9 H ARG 9 14.193 10.783 3.853 52 HA ARG 9 HA ARG 9 15.338 9.173 6.040 53 HB2 ARG 9 2HB ARG 9 14.476 11.635 6.480 54 HB3 ARG 9 3HB ARG 9 12.906 10.843 6.497 55 HG2 ARG 9 2HG ARG 9 13.316 9.759 8.448 56 HG3 ARG 9 3HG ARG 9 15.050 9.636 8.143 57 HD2 ARG 9 2HD ARG 9 15.329 11.329 9.559 58 HD3 ARG 9 3HD ARG 9 14.555 12.367 8.362 59 HE ARG 9 HE ARG 9 12.662 11.006 10.014 60 HH11 ARG 9 1HH1 ARG 9 14.808 13.742 9.852 61 HH12 ARG 9 2HH1 ARG 9 13.901 14.686 10.987 62 HH21 ARG 9 1HH2 ARG 9 11.459 12.238 11.509 63 HH22 ARG 9 2HH2 ARG 9 11.996 13.829 11.929 64 H CYS 10 H CYS 10 13.872 7.647 7.034 65 HA CYS 10 HA CYS 10 11.426 7.014 5.598 66 HB2 CYS 10 2HB CYS 10 13.864 5.255 5.607 67 HB3 CYS 10 3HB CYS 10 12.252 4.559 5.472 68 H SER 11 H SER 11 10.278 5.140 6.647 69 HA SER 11 HA SER 11 10.439 5.477 9.531 70 HB2 SER 11 2HB SER 11 8.302 4.130 9.501 71 HB3 SER 11 3HB SER 11 8.231 5.652 8.613 72 HG SER 11 HG SER 11 8.571 3.050 7.537 73 H GLY 12 H GLY 12 10.266 3.590 10.965 74 HA2 GLY 12 2HA GLY 12 11.175 1.645 11.783 75 HA3 GLY 12 3HA GLY 12 10.700 0.951 10.239 76 H GLY 13 H GLY 13 13.019 3.562 10.524 77 HA2 GLY 13 2HA GLY 13 15.216 3.690 9.862 78 HA3 GLY 13 3HA GLY 13 15.399 2.171 10.728 79 H LEU 14 H LEU 14 13.331 2.554 7.927 80 HA LEU 14 HA LEU 14 14.647 0.398 6.582 81 HB2 LEU 14 2HB LEU 14 12.368 2.222 5.922 82 HB3 LEU 14 3HB LEU 14 13.047 1.159 4.691 83 HG LEU 14 HG LEU 14 11.960 0.162 7.318 84 HD11 LEU 14 1HD1 LEU 14 10.589 0.647 4.696 85 HD12 LEU 14 2HD1 LEU 14 10.078 1.117 6.317 86 HD13 LEU 14 3HD1 LEU 14 10.019 -0.577 5.830 87 HD21 LEU 14 3HD2 LEU 14 12.285 -1.944 6.518 88 HD22 LEU 14 1HD2 LEU 14 13.609 -1.126 5.688 89 HD23 LEU 14 2HD2 LEU 14 12.102 -1.455 4.833 90 H CYS 15 H CYS 15 14.997 0.791 4.074 91 HA CYS 15 HA CYS 15 16.873 3.050 3.871 92 HB2 CYS 15 2HB CYS 15 16.836 0.352 2.516 93 HB3 CYS 15 3HB CYS 15 17.882 1.667 1.991 94 H CYS 16 H CYS 16 16.937 4.297 1.979 95 HA CYS 16 HA CYS 16 14.376 4.519 0.641 96 HB2 CYS 16 2HB CYS 16 15.866 6.458 1.513 97 HB3 CYS 16 3HB CYS 16 16.782 6.213 0.030 98 H SER 17 H SER 17 13.913 3.746 -1.310 99 HA SER 17 HA SER 17 15.933 2.307 -2.789 100 HB2 SER 17 2HB SER 17 14.170 1.388 -4.040 101 HB3 SER 17 3HB SER 17 13.463 1.620 -2.441 102 HG SER 17 HG SER 17 12.070 2.906 -3.322 103 H LYS 18 H LYS 18 15.941 2.569 -5.241 104 HA LYS 18 HA LYS 18 16.793 5.210 -5.851 105 HB2 LYS 18 2HB LYS 18 17.787 3.215 -6.895 106 HB3 LYS 18 3HB LYS 18 16.262 2.878 -7.704 107 HG2 LYS 18 2HG LYS 18 16.609 4.429 -9.292 108 HG3 LYS 18 3HG LYS 18 17.364 5.563 -8.170 109 HD2 LYS 18 2HD LYS 18 18.797 3.060 -8.966 110 HD3 LYS 18 3HD LYS 18 18.793 4.458 -10.044 111 HE2 LYS 18 2HE LYS 18 20.084 5.709 -8.646 112 HE3 LYS 18 3HE LYS 18 19.453 4.936 -7.193 113 HZ1 LYS 18 3HZ LYS 18 21.571 4.105 -7.279 114 HZ2 LYS 18 1HZ LYS 18 21.622 4.060 -8.970 115 HZ3 LYS 18 2HZ LYS 18 20.739 2.895 -8.118 116 H TYR 19 H TYR 19 13.744 3.837 -5.725 117 HA TYR 19 HA TYR 19 12.641 5.612 -7.781 118 HB2 TYR 19 2HB TYR 19 11.655 3.153 -6.397 119 HB3 TYR 19 3HB TYR 19 10.477 4.296 -7.033 120 HD1 TYR 19 HD2 TYR 19 13.301 2.092 -7.963 121 HD2 TYR 19 HD1 TYR 19 10.014 4.409 -9.353 122 HE1 TYR 19 HE2 TYR 19 13.551 1.096 -10.198 123 HE2 TYR 19 HE1 TYR 19 10.255 3.419 -11.592 124 HH TYR 19 HH TYR 19 12.465 2.278 -12.871 125 H GLY 20 H GLY 20 13.461 5.876 -4.666 126 HA2 GLY 20 2HA GLY 20 12.951 7.632 -3.219 127 HA3 GLY 20 3HA GLY 20 11.554 8.014 -4.213 128 H TYR 21 H TYR 21 11.636 4.737 -3.516 129 HA TYR 21 HA TYR 21 9.628 5.112 -1.402 130 HB2 TYR 21 2HB TYR 21 10.078 2.780 -3.275 131 HB3 TYR 21 3HB TYR 21 8.847 2.838 -2.018 132 HD1 TYR 21 HD1 TYR 21 9.978 4.569 -5.111 133 HD2 TYR 21 HD2 TYR 21 6.745 3.757 -2.467 134 HE1 TYR 21 HE1 TYR 21 8.426 5.639 -6.691 135 HE2 TYR 21 HE2 TYR 21 5.184 4.824 -4.040 136 HH TYR 21 HH TYR 21 5.833 6.842 -6.190 137 H CYS 22 H CYS 22 9.845 4.170 0.561 138 HA CYS 22 HA CYS 22 12.448 3.228 1.312 139 HB2 CYS 22 2HB CYS 22 9.948 3.198 3.005 140 HB3 CYS 22 3HB CYS 22 11.620 3.218 3.557 141 H GLY 23 H GLY 23 12.905 1.195 2.334 142 HA2 GLY 23 2HA GLY 23 11.169 -0.969 2.535 143 HA3 GLY 23 3HA GLY 23 11.850 -1.021 0.915 144 H SER 24 H SER 24 12.804 -3.051 1.510 145 HA SER 24 HA SER 24 15.305 -2.687 3.016 146 HB2 SER 24 2HB SER 24 13.554 -3.939 4.343 147 HB3 SER 24 3HB SER 24 13.639 -5.208 3.122 148 HG SER 24 HG SER 24 15.283 -4.744 5.197 149 H GLY 25 H GLY 25 16.489 -5.082 2.657 150 HA2 GLY 25 2HA GLY 25 17.276 -6.621 1.063 151 HA3 GLY 25 3HA GLY 25 16.342 -5.788 -0.171 152 HA PRO 26 HA PRO 26 20.752 -4.497 -0.385 153 HB2 PRO 26 2HB PRO 26 21.593 -5.858 -2.601 154 HB3 PRO 26 3HB PRO 26 21.887 -6.414 -0.965 155 HG2 PRO 26 2HG PRO 26 19.936 -7.423 -2.943 156 HG3 PRO 26 3HG PRO 26 20.539 -8.208 -1.497 157 HD2 PRO 26 2HD PRO 26 17.980 -6.955 -1.830 158 HD3 PRO 26 3HD PRO 26 18.629 -7.637 -0.352 159 H ALA 27 H ALA 27 18.216 -4.793 -2.545 160 HA ALA 27 HA ALA 27 19.219 -2.868 -4.437 161 HB1 ALA 27 1HB ALA 27 16.868 -3.011 -5.349 162 HB2 ALA 27 2HB ALA 27 17.780 -4.520 -5.325 163 HB3 ALA 27 3HB ALA 27 16.550 -4.214 -4.098 164 H TYR 28 H TYR 28 18.035 -2.587 -1.367 165 HA TYR 28 HA TYR 28 16.930 0.093 -1.899 166 HB2 TYR 28 2HB TYR 28 16.230 -1.944 0.204 167 HB3 TYR 28 3HB TYR 28 15.831 -0.242 0.404 168 HD1 TYR 28 HD1 TYR 28 15.566 -2.799 -2.320 169 HD2 TYR 28 HD2 TYR 28 13.659 0.301 -0.116 170 HE1 TYR 28 HE1 TYR 28 13.515 -3.133 -3.636 171 HE2 TYR 28 HE2 TYR 28 11.603 -0.025 -1.426 172 HH TYR 28 HH TYR 28 11.057 -0.963 -3.791 173 H CYS 29 H CYS 29 18.943 -1.851 0.256 174 HA CYS 29 HA CYS 29 19.920 0.559 1.587 175 HB2 CYS 29 2HB CYS 29 20.296 -2.385 2.131 176 HB3 CYS 29 3HB CYS 29 21.193 -1.139 2.992 177 H GLY 30 H GLY 30 20.846 -1.759 -0.804 178 HA2 GLY 30 2HA GLY 30 22.593 -1.557 -2.331 179 HA3 GLY 30 3HA GLY 30 23.241 -0.232 -1.376 Start of MODEL 8 1 H1 ALA 1 H ALA 1 1.855 2.322 -0.925 2 HA ALA 1 HA ALA 1 2.059 0.123 -2.644 3 HB1 ALA 1 1HB ALA 1 3.739 2.486 -3.472 4 HB2 ALA 1 2HB ALA 1 3.965 0.836 -4.055 5 HB3 ALA 1 3HB ALA 1 2.471 1.702 -4.416 6 H ALA 2 H ALA 2 4.112 2.571 -1.068 7 HA ALA 2 HA ALA 2 5.113 0.623 0.796 8 HB1 ALA 2 1HB ALA 2 6.466 0.379 -1.387 9 HB2 ALA 2 2HB ALA 2 7.215 1.903 -0.910 10 HB3 ALA 2 3HB ALA 2 7.337 0.493 0.142 11 H GLY 3 H GLY 3 5.789 3.814 -0.647 12 HA2 GLY 3 2HA GLY 3 5.204 5.717 0.884 13 HA3 GLY 3 3HA GLY 3 6.138 4.853 2.097 14 H GLN 4 H GLN 4 6.369 7.536 0.603 15 HA GLN 4 HA GLN 4 8.985 7.249 -0.638 16 HB2 GLN 4 2HB GLN 4 7.012 9.499 -0.394 17 HB3 GLN 4 3HB GLN 4 8.671 9.814 -0.885 18 HG2 GLN 4 2HG GLN 4 7.873 7.701 -2.490 19 HG3 GLN 4 3HG GLN 4 6.459 8.750 -2.407 20 HE21 GLN 4 1HE2 GLN 4 6.820 11.043 -2.894 21 HE22 GLN 4 2HE2 GLN 4 7.991 11.456 -4.094 22 H CYS 5 H CYS 5 10.879 8.080 0.155 23 HA CYS 5 HA CYS 5 11.127 8.297 2.970 24 HB2 CYS 5 2HB CYS 5 13.169 9.178 0.926 25 HB3 CYS 5 3HB CYS 5 13.463 8.653 2.581 26 H TYR 6 H TYR 6 12.576 10.249 3.797 27 HA TYR 6 HA TYR 6 11.396 12.765 2.838 28 HB2 TYR 6 2HB TYR 6 11.551 11.780 5.686 29 HB3 TYR 6 3HB TYR 6 11.299 13.474 5.278 30 HD1 TYR 6 HD1 TYR 6 9.420 13.469 3.121 31 HD2 TYR 6 HD2 TYR 6 9.584 10.887 6.499 32 HE1 TYR 6 HE1 TYR 6 7.002 13.065 2.922 33 HE2 TYR 6 HE2 TYR 6 7.167 10.475 6.309 34 HH TYR 6 HH TYR 6 5.109 12.175 5.008 35 H ARG 7 H ARG 7 13.263 13.445 1.844 36 HA ARG 7 HA ARG 7 15.406 14.204 1.607 37 HB2 ARG 7 2HB ARG 7 14.736 15.189 4.383 38 HB3 ARG 7 3HB ARG 7 16.148 15.711 3.473 39 HG2 ARG 7 2HG ARG 7 14.961 17.132 2.231 40 HG3 ARG 7 3HG ARG 7 13.657 15.969 1.983 41 HD2 ARG 7 2HD ARG 7 12.426 16.824 3.649 42 HD3 ARG 7 3HD ARG 7 13.820 16.986 4.716 43 HE ARG 7 HE ARG 7 14.034 18.960 2.771 44 HH11 ARG 7 1HH1 ARG 7 11.888 18.087 5.370 45 HH12 ARG 7 2HH1 ARG 7 11.395 19.718 5.685 46 HH21 ARG 7 1HH2 ARG 7 13.393 21.111 3.175 47 HH22 ARG 7 2HH2 ARG 7 12.251 21.437 4.435 48 H GLY 8 H GLY 8 15.219 11.490 2.496 49 HA2 GLY 8 2HA GLY 8 17.036 10.007 2.849 50 HA3 GLY 8 3HA GLY 8 17.862 11.274 3.744 51 H ARG 9 H ARG 9 14.557 10.836 4.509 52 HA ARG 9 HA ARG 9 15.289 9.252 6.883 53 HB2 ARG 9 2HB ARG 9 13.230 11.461 6.821 54 HB3 ARG 9 3HB ARG 9 13.779 10.563 8.229 55 HG2 ARG 9 2HG ARG 9 15.549 12.346 6.574 56 HG3 ARG 9 3HG ARG 9 14.715 12.856 8.043 57 HD2 ARG 9 2HD ARG 9 15.890 10.733 9.054 58 HD3 ARG 9 3HD ARG 9 17.000 10.973 7.705 59 HE ARG 9 HE ARG 9 16.722 13.430 8.946 60 HH11 ARG 9 1HH1 ARG 9 17.872 10.250 9.773 61 HH12 ARG 9 2HH1 ARG 9 19.025 10.826 10.931 62 HH21 ARG 9 1HH2 ARG 9 18.237 14.201 10.468 63 HH22 ARG 9 2HH2 ARG 9 19.231 13.073 11.326 64 H CYS 10 H CYS 10 14.378 7.318 6.682 65 HA CYS 10 HA CYS 10 11.732 7.113 5.420 66 HB2 CYS 10 2HB CYS 10 14.040 5.228 5.703 67 HB3 CYS 10 3HB CYS 10 12.417 4.572 5.517 68 H SER 11 H SER 11 10.599 4.968 6.348 69 HA SER 11 HA SER 11 9.813 5.657 8.995 70 HB2 SER 11 2HB SER 11 8.312 4.627 7.258 71 HB3 SER 11 3HB SER 11 9.168 3.105 7.503 72 HG SER 11 HG SER 11 7.598 4.548 9.366 73 H GLY 12 H GLY 12 10.434 4.858 10.918 74 HA2 GLY 12 2HA GLY 12 11.767 3.781 12.450 75 HA3 GLY 12 3HA GLY 12 11.415 2.344 11.502 76 H GLY 13 H GLY 13 13.075 1.340 10.565 77 HA2 GLY 13 2HA GLY 13 15.554 2.889 10.140 78 HA3 GLY 13 3HA GLY 13 15.578 1.280 10.848 79 H LEU 14 H LEU 14 13.477 2.242 8.205 80 HA LEU 14 HA LEU 14 14.398 0.063 6.595 81 HB2 LEU 14 2HB LEU 14 12.425 2.283 6.197 82 HB3 LEU 14 3HB LEU 14 12.872 1.216 4.867 83 HG LEU 14 HG LEU 14 11.767 0.175 7.464 84 HD11 LEU 14 1HD1 LEU 14 9.643 0.574 6.856 85 HD12 LEU 14 2HD1 LEU 14 9.973 0.315 5.144 86 HD13 LEU 14 3HD1 LEU 14 10.354 1.867 5.889 87 HD21 LEU 14 3HD2 LEU 14 12.985 -1.131 5.425 88 HD22 LEU 14 1HD2 LEU 14 11.300 -1.194 4.907 89 HD23 LEU 14 2HD2 LEU 14 11.764 -1.845 6.479 90 H CYS 15 H CYS 15 14.757 0.624 4.137 91 HA CYS 15 HA CYS 15 16.871 2.674 4.037 92 HB2 CYS 15 2HB CYS 15 16.620 0.028 2.606 93 HB3 CYS 15 3HB CYS 15 17.777 1.265 2.125 94 H CYS 16 H CYS 16 17.055 3.967 2.186 95 HA CYS 16 HA CYS 16 14.533 4.422 0.824 96 HB2 CYS 16 2HB CYS 16 16.243 6.186 1.796 97 HB3 CYS 16 3HB CYS 16 17.005 5.992 0.221 98 H SER 17 H SER 17 14.061 3.770 -1.170 99 HA SER 17 HA SER 17 16.003 2.245 -2.664 100 HB2 SER 17 2HB SER 17 14.208 1.510 -3.988 101 HB3 SER 17 3HB SER 17 13.481 1.731 -2.396 102 HG SER 17 HG SER 17 12.212 3.159 -3.248 103 H LYS 18 H LYS 18 16.093 2.602 -5.101 104 HA LYS 18 HA LYS 18 17.148 5.196 -5.584 105 HB2 LYS 18 2HB LYS 18 18.022 3.176 -6.687 106 HB3 LYS 18 3HB LYS 18 16.497 2.983 -7.541 107 HG2 LYS 18 2HG LYS 18 16.941 4.663 -9.005 108 HG3 LYS 18 3HG LYS 18 17.917 5.567 -7.844 109 HD2 LYS 18 2HD LYS 18 18.803 2.972 -9.092 110 HD3 LYS 18 3HD LYS 18 19.184 4.556 -9.771 111 HE2 LYS 18 2HE LYS 18 20.970 4.596 -8.445 112 HE3 LYS 18 3HE LYS 18 19.867 4.750 -7.078 113 HZ1 LYS 18 3HZ LYS 18 21.018 2.250 -8.185 114 HZ2 LYS 18 1HZ LYS 18 19.778 2.276 -7.034 115 HZ3 LYS 18 2HZ LYS 18 21.295 2.922 -6.657 116 H TYR 19 H TYR 19 14.006 4.046 -5.583 117 HA TYR 19 HA TYR 19 13.086 5.974 -7.589 118 HB2 TYR 19 2HB TYR 19 11.887 3.547 -6.320 119 HB3 TYR 19 3HB TYR 19 10.813 4.796 -6.940 120 HD1 TYR 19 HD1 TYR 19 13.315 2.263 -7.839 121 HD2 TYR 19 HD2 TYR 19 10.596 5.185 -9.313 122 HE1 TYR 19 HE1 TYR 19 13.547 1.328 -10.102 123 HE2 TYR 19 HE2 TYR 19 10.820 4.258 -11.580 124 HH TYR 19 HH TYR 19 13.065 2.637 -12.690 125 H GLY 20 H GLY 20 13.847 6.062 -4.450 126 HA2 GLY 20 2HA GLY 20 13.435 7.798 -2.949 127 HA3 GLY 20 3HA GLY 20 12.091 8.316 -3.956 128 H TYR 21 H TYR 21 11.912 5.021 -3.388 129 HA TYR 21 HA TYR 21 9.892 5.465 -1.299 130 HB2 TYR 21 2HB TYR 21 10.218 3.172 -3.246 131 HB3 TYR 21 3HB TYR 21 8.965 3.277 -2.015 132 HD1 TYR 21 HD1 TYR 21 10.295 5.033 -5.014 133 HD2 TYR 21 HD2 TYR 21 6.945 4.356 -2.481 134 HE1 TYR 21 HE1 TYR 21 8.863 6.267 -6.588 135 HE2 TYR 21 HE2 TYR 21 5.503 5.587 -4.048 136 HH TYR 21 HH TYR 21 6.004 7.512 -5.883 137 H CYS 22 H CYS 22 10.001 4.447 0.633 138 HA CYS 22 HA CYS 22 12.511 3.288 1.399 139 HB2 CYS 22 2HB CYS 22 9.971 3.410 3.031 140 HB3 CYS 22 3HB CYS 22 11.619 3.244 3.629 141 H GLY 23 H GLY 23 12.777 1.196 2.388 142 HA2 GLY 23 2HA GLY 23 10.888 -0.838 2.469 143 HA3 GLY 23 3HA GLY 23 11.600 -0.889 0.862 144 H SER 24 H SER 24 12.387 -3.002 1.406 145 HA SER 24 HA SER 24 14.876 -2.875 2.968 146 HB2 SER 24 2HB SER 24 13.010 -4.026 4.228 147 HB3 SER 24 3HB SER 24 13.023 -5.264 2.973 148 HG SER 24 HG SER 24 14.675 -4.957 5.083 149 H GLY 25 H GLY 25 15.877 -5.347 2.559 150 HA2 GLY 25 2HA GLY 25 16.580 -6.895 0.936 151 HA3 GLY 25 3HA GLY 25 15.729 -5.964 -0.288 152 HA PRO 26 HA PRO 26 20.224 -4.996 -0.407 153 HB2 PRO 26 2HB PRO 26 20.995 -6.353 -2.651 154 HB3 PRO 26 3HB PRO 26 21.223 -6.975 -1.029 155 HG2 PRO 26 2HG PRO 26 19.232 -7.781 -3.060 156 HG3 PRO 26 3HG PRO 26 19.754 -8.648 -1.630 157 HD2 PRO 26 2HD PRO 26 17.300 -7.200 -1.959 158 HD3 PRO 26 3HD PRO 26 17.874 -7.969 -0.493 159 H ALA 27 H ALA 27 17.703 -5.037 -2.601 160 HA ALA 27 HA ALA 27 18.873 -3.145 -4.429 161 HB1 ALA 27 1HB ALA 27 16.016 -4.079 -4.169 162 HB2 ALA 27 2HB ALA 27 16.686 -3.150 -5.511 163 HB3 ALA 27 3HB ALA 27 17.249 -4.793 -5.210 164 H TYR 28 H TYR 28 17.675 -2.858 -1.364 165 HA TYR 28 HA TYR 28 16.798 -0.082 -1.830 166 HB2 TYR 28 2HB TYR 28 15.898 -2.116 0.200 167 HB3 TYR 28 3HB TYR 28 15.633 -0.393 0.443 168 HD1 TYR 28 HD1 TYR 28 15.209 -2.850 -2.352 169 HD2 TYR 28 HD2 TYR 28 13.526 0.345 -0.102 170 HE1 TYR 28 HE1 TYR 28 13.163 -2.980 -3.710 171 HE2 TYR 28 HE2 TYR 28 11.474 0.222 -1.452 172 HH TYR 28 HH TYR 28 11.079 -0.788 -4.109 173 H CYS 29 H CYS 29 18.614 -2.248 0.286 174 HA CYS 29 HA CYS 29 19.757 0.032 1.711 175 HB2 CYS 29 2HB CYS 29 19.899 -2.949 2.159 176 HB3 CYS 29 3HB CYS 29 20.866 -1.802 3.080 177 H GLY 30 H GLY 30 20.535 -2.272 -0.745 178 HA2 GLY 30 2HA GLY 30 23.397 -1.884 -0.542 179 HA3 GLY 30 3HA GLY 30 22.551 -2.816 -1.769 Start of MODEL 9 1 H1 ALA 1 H ALA 1 7.876 -2.577 3.259 2 HA ALA 1 HA ALA 1 8.339 -0.084 1.992 3 HB1 ALA 1 1HB ALA 1 8.455 -1.818 0.497 4 HB2 ALA 1 2HB ALA 1 7.068 -2.657 1.194 5 HB3 ALA 1 3HB ALA 1 6.821 -1.232 0.185 6 H ALA 2 H ALA 2 7.164 1.344 3.433 7 HA ALA 2 HA ALA 2 4.276 1.187 3.470 8 HB1 ALA 2 1HB ALA 2 4.683 3.534 4.604 9 HB2 ALA 2 2HB ALA 2 4.979 2.028 5.474 10 HB3 ALA 2 3HB ALA 2 6.327 2.912 4.758 11 H GLY 3 H GLY 3 6.314 4.013 2.751 12 HA2 GLY 3 2HA GLY 3 4.863 4.375 0.224 13 HA3 GLY 3 3HA GLY 3 4.819 5.670 1.411 14 H GLN 4 H GLN 4 5.977 7.245 0.459 15 HA GLN 4 HA GLN 4 8.495 6.611 -0.854 16 HB2 GLN 4 2HB GLN 4 6.685 8.971 -0.749 17 HB3 GLN 4 3HB GLN 4 8.389 9.267 -1.066 18 HG2 GLN 4 2HG GLN 4 8.179 7.514 -2.901 19 HG3 GLN 4 3HG GLN 4 6.437 7.676 -2.690 20 HE21 GLN 4 1HE2 GLN 4 5.660 8.839 -4.293 21 HE22 GLN 4 2HE2 GLN 4 6.337 10.304 -4.910 22 H CYS 5 H CYS 5 10.350 8.183 -0.412 23 HA CYS 5 HA CYS 5 10.967 8.017 2.400 24 HB2 CYS 5 2HB CYS 5 12.659 9.274 0.239 25 HB3 CYS 5 3HB CYS 5 13.193 8.628 1.787 26 H TYR 6 H TYR 6 12.130 9.955 3.412 27 HA TYR 6 HA TYR 6 10.780 12.468 2.697 28 HB2 TYR 6 2HB TYR 6 9.618 11.399 4.613 29 HB3 TYR 6 3HB TYR 6 11.128 11.427 5.517 30 HD1 TYR 6 HD1 TYR 6 9.085 13.858 3.530 31 HD2 TYR 6 HD2 TYR 6 11.284 13.094 7.092 32 HE1 TYR 6 HE1 TYR 6 8.551 16.119 4.337 33 HE2 TYR 6 HE2 TYR 6 10.756 15.352 7.909 34 HH TYR 6 HH TYR 6 9.526 17.778 5.942 35 H ARG 7 H ARG 7 12.417 13.694 2.001 36 HA ARG 7 HA ARG 7 14.458 14.711 1.870 37 HB2 ARG 7 2HB ARG 7 13.758 14.830 4.788 38 HB3 ARG 7 3HB ARG 7 15.267 15.518 4.203 39 HG2 ARG 7 2HG ARG 7 14.247 17.269 3.225 40 HG3 ARG 7 3HG ARG 7 12.850 16.313 2.726 41 HD2 ARG 7 2HD ARG 7 11.679 17.095 4.443 42 HD3 ARG 7 3HD ARG 7 12.879 16.461 5.569 43 HE ARG 7 HE ARG 7 12.573 19.190 4.711 44 HH11 ARG 7 1HH1 ARG 7 14.759 16.821 6.026 45 HH12 ARG 7 2HH1 ARG 7 15.796 17.997 6.764 46 HH21 ARG 7 1HH2 ARG 7 13.930 20.747 5.679 47 HH22 ARG 7 2HH2 ARG 7 15.323 20.229 6.567 48 H GLY 8 H GLY 8 14.567 11.849 1.927 49 HA2 GLY 8 2HA GLY 8 16.374 10.384 1.794 50 HA3 GLY 8 3HA GLY 8 17.355 11.554 2.663 51 H ARG 9 H ARG 9 14.254 10.540 3.883 52 HA ARG 9 HA ARG 9 15.473 8.625 5.710 53 HB2 ARG 9 2HB ARG 9 14.143 11.188 6.574 54 HB3 ARG 9 3HB ARG 9 14.269 9.795 7.640 55 HG2 ARG 9 2HG ARG 9 16.216 10.649 8.284 56 HG3 ARG 9 3HG ARG 9 16.843 10.111 6.724 57 HD2 ARG 9 2HD ARG 9 16.834 12.209 5.842 58 HD3 ARG 9 3HD ARG 9 15.442 12.720 6.795 59 HE ARG 9 HE ARG 9 18.171 13.098 7.453 60 HH11 ARG 9 1HH1 ARG 9 15.073 12.380 8.871 61 HH12 ARG 9 2HH1 ARG 9 15.475 13.061 10.413 62 HH21 ARG 9 1HH2 ARG 9 18.712 13.997 9.479 63 HH22 ARG 9 2HH2 ARG 9 17.545 13.981 10.757 64 H CYS 10 H CYS 10 14.208 6.900 5.826 65 HA CYS 10 HA CYS 10 11.370 7.184 5.124 66 HB2 CYS 10 2HB CYS 10 13.302 4.881 4.980 67 HB3 CYS 10 3HB CYS 10 11.562 4.613 4.926 68 H SER 11 H SER 11 9.878 5.628 6.252 69 HA SER 11 HA SER 11 10.395 5.779 9.126 70 HB2 SER 11 2HB SER 11 8.281 6.729 8.227 71 HB3 SER 11 3HB SER 11 7.820 5.118 7.675 72 HG SER 11 HG SER 11 8.342 5.857 10.367 73 H GLY 12 H GLY 12 9.280 3.903 10.394 74 HA2 GLY 12 2HA GLY 12 9.382 1.696 11.013 75 HA3 GLY 12 3HA GLY 12 9.076 1.331 9.321 76 H GLY 13 H GLY 13 11.886 3.181 10.102 77 HA2 GLY 13 2HA GLY 13 14.127 2.706 9.969 78 HA3 GLY 13 3HA GLY 13 13.723 1.112 10.590 79 H LEU 14 H LEU 14 12.191 2.097 7.672 80 HA LEU 14 HA LEU 14 13.408 -0.050 6.223 81 HB2 LEU 14 2HB LEU 14 11.434 2.097 5.531 82 HB3 LEU 14 3HB LEU 14 12.097 1.036 4.290 83 HG LEU 14 HG LEU 14 10.614 0.040 6.717 84 HD11 LEU 14 1HD1 LEU 14 8.673 -0.204 5.316 85 HD12 LEU 14 2HD1 LEU 14 9.547 0.443 3.928 86 HD13 LEU 14 3HD1 LEU 14 9.186 1.484 5.305 87 HD21 LEU 14 3HD2 LEU 14 11.172 -1.986 6.006 88 HD22 LEU 14 1HD2 LEU 14 12.204 -1.244 4.784 89 HD23 LEU 14 2HD2 LEU 14 10.528 -1.639 4.401 90 H CYS 15 H CYS 15 14.087 0.521 3.835 91 HA CYS 15 HA CYS 15 16.159 2.603 4.041 92 HB2 CYS 15 2HB CYS 15 16.080 0.030 2.461 93 HB3 CYS 15 3HB CYS 15 17.298 1.276 2.209 94 H CYS 16 H CYS 16 16.529 3.992 2.301 95 HA CYS 16 HA CYS 16 14.187 4.501 0.672 96 HB2 CYS 16 2HB CYS 16 15.547 6.293 1.870 97 HB3 CYS 16 3HB CYS 16 16.782 6.039 0.641 98 H SER 17 H SER 17 13.938 3.883 -1.369 99 HA SER 17 HA SER 17 16.061 2.454 -2.704 100 HB2 SER 17 2HB SER 17 14.430 1.723 -4.226 101 HB3 SER 17 3HB SER 17 13.537 1.879 -2.713 102 HG SER 17 HG SER 17 12.323 3.290 -3.663 103 H LYS 18 H LYS 18 16.394 2.897 -5.104 104 HA LYS 18 HA LYS 18 17.424 5.530 -5.392 105 HB2 LYS 18 2HB LYS 18 17.083 3.277 -7.375 106 HB3 LYS 18 3HB LYS 18 17.900 4.789 -7.749 107 HG2 LYS 18 2HG LYS 18 19.745 4.248 -6.560 108 HG3 LYS 18 3HG LYS 18 18.836 3.339 -5.351 109 HD2 LYS 18 2HD LYS 18 20.196 1.804 -6.602 110 HD3 LYS 18 3HD LYS 18 18.507 1.541 -7.040 111 HE2 LYS 18 2HE LYS 18 18.769 2.519 -9.132 112 HE3 LYS 18 3HE LYS 18 20.224 3.390 -8.650 113 HZ1 LYS 18 3HZ LYS 18 21.457 1.725 -9.391 114 HZ2 LYS 18 1HZ LYS 18 20.065 0.942 -9.949 115 HZ3 LYS 18 2HZ LYS 18 20.654 0.616 -8.398 116 H TYR 19 H TYR 19 14.330 4.310 -5.752 117 HA TYR 19 HA TYR 19 13.572 6.287 -7.780 118 HB2 TYR 19 2HB TYR 19 12.315 3.784 -6.734 119 HB3 TYR 19 3HB TYR 19 11.280 5.029 -7.426 120 HD1 TYR 19 HD2 TYR 19 11.773 5.802 -9.805 121 HD2 TYR 19 HD1 TYR 19 13.477 2.287 -8.116 122 HE1 TYR 19 HE2 TYR 19 12.271 4.964 -12.063 123 HE2 TYR 19 HE1 TYR 19 13.980 1.441 -10.370 124 HH TYR 19 HH TYR 19 14.202 2.104 -12.578 125 H GLY 20 H GLY 20 14.000 6.280 -4.579 126 HA2 GLY 20 2HA GLY 20 13.376 7.935 -3.064 127 HA3 GLY 20 3HA GLY 20 12.139 8.468 -4.193 128 H TYR 21 H TYR 21 11.993 5.145 -3.763 129 HA TYR 21 HA TYR 21 9.737 5.463 -1.904 130 HB2 TYR 21 2HB TYR 21 10.340 3.266 -3.894 131 HB3 TYR 21 3HB TYR 21 8.963 3.275 -2.798 132 HD1 TYR 21 HD1 TYR 21 10.531 5.183 -5.579 133 HD2 TYR 21 HD2 TYR 21 6.970 4.340 -3.408 134 HE1 TYR 21 HE1 TYR 21 9.227 6.446 -7.239 135 HE2 TYR 21 HE2 TYR 21 5.656 5.599 -5.062 136 HH TYR 21 HH TYR 21 7.179 7.491 -7.563 137 H CYS 22 H CYS 22 9.630 4.333 -0.027 138 HA CYS 22 HA CYS 22 12.074 3.234 0.998 139 HB2 CYS 22 2HB CYS 22 9.360 3.130 2.314 140 HB3 CYS 22 3HB CYS 22 10.938 3.072 3.092 141 H GLY 23 H GLY 23 12.342 1.105 1.869 142 HA2 GLY 23 2HA GLY 23 10.549 -1.008 1.637 143 HA3 GLY 23 3HA GLY 23 11.438 -0.937 0.123 144 H SER 24 H SER 24 12.228 -3.061 0.679 145 HA SER 24 HA SER 24 14.534 -2.911 2.500 146 HB2 SER 24 2HB SER 24 12.594 -4.190 3.497 147 HB3 SER 24 3HB SER 24 12.793 -5.365 2.196 148 HG SER 24 HG SER 24 14.022 -6.160 3.798 149 H GLY 25 H GLY 25 15.683 -5.315 2.097 150 HA2 GLY 25 2HA GLY 25 16.605 -6.763 0.485 151 HA3 GLY 25 3HA GLY 25 15.878 -5.782 -0.779 152 HA PRO 26 HA PRO 26 20.325 -4.706 -0.301 153 HB2 PRO 26 2HB PRO 26 21.401 -5.917 -2.501 154 HB3 PRO 26 3HB PRO 26 21.451 -6.623 -0.898 155 HG2 PRO 26 2HG PRO 26 19.744 -7.362 -3.196 156 HG3 PRO 26 3HG PRO 26 20.116 -8.295 -1.760 157 HD2 PRO 26 2HD PRO 26 17.677 -6.889 -2.310 158 HD3 PRO 26 3HD PRO 26 18.094 -7.725 -0.827 159 H ALA 27 H ALA 27 18.100 -4.698 -2.801 160 HA ALA 27 HA ALA 27 19.424 -2.663 -4.352 161 HB1 ALA 27 1HB ALA 27 16.554 -3.548 -4.572 162 HB2 ALA 27 2HB ALA 27 17.540 -2.756 -5.802 163 HB3 ALA 27 3HB ALA 27 17.902 -4.411 -5.313 164 H TYR 28 H TYR 28 17.835 -2.594 -1.463 165 HA TYR 28 HA TYR 28 16.887 0.162 -1.898 166 HB2 TYR 28 2HB TYR 28 15.853 -2.015 -0.094 167 HB3 TYR 28 3HB TYR 28 15.475 -0.321 0.199 168 HD1 TYR 28 HD2 TYR 28 15.518 -2.627 -2.752 169 HD2 TYR 28 HD1 TYR 28 13.406 0.339 -0.551 170 HE1 TYR 28 HE2 TYR 28 13.658 -2.772 -4.354 171 HE2 TYR 28 HE1 TYR 28 11.539 0.201 -2.147 172 HH TYR 28 HH TYR 28 10.946 -0.552 -4.227 173 H CYS 29 H CYS 29 18.544 -2.031 0.317 174 HA CYS 29 HA CYS 29 19.391 0.217 1.979 175 HB2 CYS 29 2HB CYS 29 19.693 -2.773 2.304 176 HB3 CYS 29 3HB CYS 29 20.382 -1.596 3.418 177 H GLY 30 H GLY 30 20.575 -1.924 -0.464 178 HA2 GLY 30 2HA GLY 30 23.368 -1.412 0.102 179 HA3 GLY 30 3HA GLY 30 22.726 -2.324 -1.256 Start of MODEL 10 1 H1 ALA 1 H ALA 1 4.896 3.185 -3.488 2 HA ALA 1 HA ALA 1 2.218 3.278 -2.789 3 HB1 ALA 1 1HB ALA 1 1.250 1.269 -3.299 4 HB2 ALA 1 2HB ALA 1 2.281 1.484 -4.714 5 HB3 ALA 1 3HB ALA 1 2.795 0.424 -3.402 6 H ALA 2 H ALA 2 5.277 1.597 -2.508 7 HA ALA 2 HA ALA 2 4.862 0.435 0.031 8 HB1 ALA 2 1HB ALA 2 6.648 -0.351 -1.357 9 HB2 ALA 2 2HB ALA 2 7.402 1.244 -1.376 10 HB3 ALA 2 3HB ALA 2 7.347 0.312 0.120 11 H GLY 3 H GLY 3 5.827 3.640 -0.988 12 HA2 GLY 3 2HA GLY 3 5.130 5.302 0.824 13 HA3 GLY 3 3HA GLY 3 6.249 4.395 1.831 14 H GLN 4 H GLN 4 6.105 7.243 0.663 15 HA GLN 4 HA GLN 4 8.598 7.347 -0.835 16 HB2 GLN 4 2HB GLN 4 6.875 9.663 0.047 17 HB3 GLN 4 3HB GLN 4 8.101 9.661 -1.215 18 HG2 GLN 4 2HG GLN 4 6.535 7.797 -2.236 19 HG3 GLN 4 3HG GLN 4 5.323 8.625 -1.260 20 HE21 GLN 4 1HE2 GLN 4 4.374 10.345 -2.103 21 HE22 GLN 4 2HE2 GLN 4 4.920 11.223 -3.487 22 H CYS 5 H CYS 5 10.506 8.118 -0.084 23 HA CYS 5 HA CYS 5 10.963 8.121 2.712 24 HB2 CYS 5 2HB CYS 5 12.780 9.180 0.539 25 HB3 CYS 5 3HB CYS 5 13.256 8.686 2.160 26 H TYR 6 H TYR 6 11.782 9.865 4.012 27 HA TYR 6 HA TYR 6 10.614 12.453 3.243 28 HB2 TYR 6 2HB TYR 6 9.849 11.193 5.359 29 HB3 TYR 6 3HB TYR 6 11.396 11.678 6.044 30 HD1 TYR 6 HD1 TYR 6 8.377 13.105 4.382 31 HD2 TYR 6 HD2 TYR 6 11.580 13.734 7.111 32 HE1 TYR 6 HE1 TYR 6 7.410 15.279 5.006 33 HE2 TYR 6 HE2 TYR 6 10.622 15.909 7.743 34 HH TYR 6 HH TYR 6 9.129 17.563 6.949 35 H ARG 7 H ARG 7 11.976 14.004 2.681 36 HA ARG 7 HA ARG 7 13.926 15.135 2.319 37 HB2 ARG 7 2HB ARG 7 14.249 14.546 5.267 38 HB3 ARG 7 3HB ARG 7 15.130 15.777 4.373 39 HG2 ARG 7 2HG ARG 7 12.134 15.761 4.551 40 HG3 ARG 7 3HG ARG 7 13.155 16.551 5.754 41 HD2 ARG 7 2HD ARG 7 13.343 18.332 4.444 42 HD3 ARG 7 3HD ARG 7 14.047 17.335 3.172 43 HE ARG 7 HE ARG 7 12.056 17.433 2.060 44 HH11 ARG 7 1HH1 ARG 7 11.524 18.291 5.391 45 HH12 ARG 7 2HH1 ARG 7 9.867 18.738 5.147 46 HH21 ARG 7 1HH2 ARG 7 9.877 18.018 1.726 47 HH22 ARG 7 2HH2 ARG 7 8.932 18.582 3.062 48 H GLY 8 H GLY 8 14.064 12.335 1.740 49 HA2 GLY 8 2HA GLY 8 15.722 10.913 0.993 50 HA3 GLY 8 3HA GLY 8 16.913 12.055 1.599 51 H ARG 9 H ARG 9 14.372 10.621 3.554 52 HA ARG 9 HA ARG 9 16.158 8.656 4.702 53 HB2 ARG 9 2HB ARG 9 16.490 11.008 5.822 54 HB3 ARG 9 3HB ARG 9 14.984 10.612 6.640 55 HG2 ARG 9 2HG ARG 9 16.459 8.329 6.981 56 HG3 ARG 9 3HG ARG 9 17.679 9.600 7.080 57 HD2 ARG 9 2HD ARG 9 15.166 9.348 8.723 58 HD3 ARG 9 3HD ARG 9 16.829 9.173 9.284 59 HE ARG 9 HE ARG 9 15.391 11.622 8.862 60 HH11 ARG 9 1HH1 ARG 9 18.541 10.147 9.005 61 HH12 ARG 9 2HH1 ARG 9 19.357 11.622 9.404 62 HH21 ARG 9 1HH2 ARG 9 16.454 13.571 9.387 63 HH22 ARG 9 2HH2 ARG 9 18.169 13.569 9.622 64 H CYS 10 H CYS 10 15.065 6.945 5.492 65 HA CYS 10 HA CYS 10 12.138 7.112 5.468 66 HB2 CYS 10 2HB CYS 10 14.026 4.757 5.320 67 HB3 CYS 10 3HB CYS 10 12.278 4.594 5.449 68 H SER 11 H SER 11 11.170 5.348 7.056 69 HA SER 11 HA SER 11 11.589 6.335 9.665 70 HB2 SER 11 2HB SER 11 10.271 3.688 9.132 71 HB3 SER 11 3HB SER 11 9.859 4.910 10.335 72 HG SER 11 HG SER 11 9.264 4.823 7.599 73 H GLY 12 H GLY 12 12.491 5.362 11.497 74 HA2 GLY 12 2HA GLY 12 14.942 4.121 11.219 75 HA3 GLY 12 3HA GLY 12 13.977 4.076 12.687 76 H GLY 13 H GLY 13 15.160 2.302 10.016 77 HA2 GLY 13 2HA GLY 13 15.187 -0.169 10.698 78 HA3 GLY 13 3HA GLY 13 13.438 0.009 10.698 79 H LEU 14 H LEU 14 13.310 1.729 8.398 80 HA LEU 14 HA LEU 14 13.678 -0.312 6.344 81 HB2 LEU 14 2HB LEU 14 12.084 2.228 6.486 82 HB3 LEU 14 3HB LEU 14 12.326 1.366 4.968 83 HG LEU 14 HG LEU 14 10.988 0.217 7.416 84 HD11 LEU 14 1HD1 LEU 14 8.965 0.814 6.595 85 HD12 LEU 14 2HD1 LEU 14 9.498 0.740 4.916 86 HD13 LEU 14 3HD1 LEU 14 9.908 2.138 5.910 87 HD21 LEU 14 3HD2 LEU 14 11.836 -1.606 6.257 88 HD22 LEU 14 1HD2 LEU 14 11.601 -0.843 4.684 89 HD23 LEU 14 2HD2 LEU 14 10.211 -1.439 5.590 90 H CYS 15 H CYS 15 14.160 0.686 4.077 91 HA CYS 15 HA CYS 15 16.358 2.628 4.321 92 HB2 CYS 15 2HB CYS 15 16.340 0.021 2.799 93 HB3 CYS 15 3HB CYS 15 17.511 1.299 2.489 94 H CYS 16 H CYS 16 16.701 3.983 2.541 95 HA CYS 16 HA CYS 16 14.333 4.429 0.933 96 HB2 CYS 16 2HB CYS 16 15.788 6.230 2.090 97 HB3 CYS 16 3HB CYS 16 16.885 6.008 0.730 98 H SER 17 H SER 17 14.065 3.796 -1.103 99 HA SER 17 HA SER 17 16.171 2.334 -2.432 100 HB2 SER 17 2HB SER 17 14.523 1.587 -3.930 101 HB3 SER 17 3HB SER 17 13.648 1.762 -2.409 102 HG SER 17 HG SER 17 12.433 3.182 -3.346 103 H LYS 18 H LYS 18 16.470 2.735 -4.848 104 HA LYS 18 HA LYS 18 17.516 5.354 -5.191 105 HB2 LYS 18 2HB LYS 18 18.522 3.371 -6.245 106 HB3 LYS 18 3HB LYS 18 17.083 3.168 -7.236 107 HG2 LYS 18 2HG LYS 18 17.653 4.836 -8.649 108 HG3 LYS 18 3HG LYS 18 18.423 5.796 -7.383 109 HD2 LYS 18 2HD LYS 18 20.267 5.153 -8.578 110 HD3 LYS 18 3HD LYS 18 20.170 3.822 -7.423 111 HE2 LYS 18 2HE LYS 18 18.827 3.696 -10.106 112 HE3 LYS 18 3HE LYS 18 20.516 3.238 -9.891 113 HZ1 LYS 18 3HZ LYS 18 18.168 1.766 -9.270 114 HZ2 LYS 18 1HZ LYS 18 19.140 1.937 -7.896 115 HZ3 LYS 18 2HZ LYS 18 19.778 1.247 -9.302 116 H TYR 19 H TYR 19 14.408 4.152 -5.490 117 HA TYR 19 HA TYR 19 13.636 6.107 -7.534 118 HB2 TYR 19 2HB TYR 19 12.401 3.613 -6.457 119 HB3 TYR 19 3HB TYR 19 11.336 4.860 -7.097 120 HD1 TYR 19 HD1 TYR 19 11.579 5.571 -9.483 121 HD2 TYR 19 HD2 TYR 19 13.664 2.217 -7.900 122 HE1 TYR 19 HE1 TYR 19 11.991 4.757 -11.767 123 HE2 TYR 19 HE2 TYR 19 14.082 1.394 -10.180 124 HH TYR 19 HH TYR 19 12.460 2.321 -12.795 125 H GLY 20 H GLY 20 14.128 6.170 -4.355 126 HA2 GLY 20 2HA GLY 20 13.532 7.844 -2.852 127 HA3 GLY 20 3HA GLY 20 12.280 8.365 -3.970 128 H TYR 21 H TYR 21 12.128 5.050 -3.475 129 HA TYR 21 HA TYR 21 9.904 5.411 -1.587 130 HB2 TYR 21 2HB TYR 21 10.450 3.131 -3.499 131 HB3 TYR 21 3HB TYR 21 9.050 3.268 -2.440 132 HD1 TYR 21 HD1 TYR 21 8.300 6.086 -2.769 133 HD2 TYR 21 HD2 TYR 21 9.606 3.254 -5.662 134 HE1 TYR 21 HE1 TYR 21 7.095 7.327 -4.518 135 HE2 TYR 21 HE2 TYR 21 8.406 4.487 -7.420 136 HH TYR 21 HH TYR 21 7.340 6.414 -7.917 137 H CYS 22 H CYS 22 9.849 4.349 0.324 138 HA CYS 22 HA CYS 22 12.297 3.223 1.304 139 HB2 CYS 22 2HB CYS 22 9.584 3.340 2.637 140 HB3 CYS 22 3HB CYS 22 11.123 3.024 3.431 141 H GLY 23 H GLY 23 12.482 1.112 2.310 142 HA2 GLY 23 2HA GLY 23 10.654 -0.961 2.143 143 HA3 GLY 23 3HA GLY 23 11.519 -0.959 0.613 144 H SER 24 H SER 24 12.297 -3.069 1.184 145 HA SER 24 HA SER 24 14.622 -2.928 2.980 146 HB2 SER 24 2HB SER 24 12.671 -4.140 4.036 147 HB3 SER 24 3HB SER 24 12.824 -5.350 2.763 148 HG SER 24 HG SER 24 14.474 -4.832 4.942 149 H GLY 25 H GLY 25 15.708 -5.371 2.621 150 HA2 GLY 25 2HA GLY 25 16.596 -6.869 1.044 151 HA3 GLY 25 3HA GLY 25 15.844 -5.932 -0.238 152 HA PRO 26 HA PRO 26 20.307 -4.870 0.085 153 HB2 PRO 26 2HB PRO 26 21.316 -6.165 -2.100 154 HB3 PRO 26 3HB PRO 26 21.404 -6.815 -0.475 155 HG2 PRO 26 2HG PRO 26 19.631 -7.620 -2.700 156 HG3 PRO 26 3HG PRO 26 20.035 -8.506 -1.242 157 HD2 PRO 26 2HD PRO 26 17.592 -7.101 -1.775 158 HD3 PRO 26 3HD PRO 26 18.043 -7.888 -0.276 159 H ALA 27 H ALA 27 18.003 -4.917 -2.336 160 HA ALA 27 HA ALA 27 19.298 -2.967 -4.012 161 HB1 ALA 27 1HB ALA 27 16.635 -4.324 -4.022 162 HB2 ALA 27 2HB ALA 27 16.912 -2.911 -5.040 163 HB3 ALA 27 3HB ALA 27 17.912 -4.350 -5.239 164 H TYR 28 H TYR 28 17.814 -2.764 -1.068 165 HA TYR 28 HA TYR 28 16.927 0.003 -1.564 166 HB2 TYR 28 2HB TYR 28 15.882 -2.087 0.335 167 HB3 TYR 28 3HB TYR 28 15.560 -0.374 0.583 168 HD1 TYR 28 HD2 TYR 28 15.450 -2.784 -2.282 169 HD2 TYR 28 HD1 TYR 28 13.498 0.334 -0.144 170 HE1 TYR 28 HE2 TYR 28 13.544 -2.925 -3.829 171 HE2 TYR 28 HE1 TYR 28 11.585 0.201 -1.684 172 HH TYR 28 HH TYR 28 10.599 -1.087 -3.288 173 H CYS 29 H CYS 29 18.577 -2.170 0.677 174 HA CYS 29 HA CYS 29 19.536 0.102 2.243 175 HB2 CYS 29 2HB CYS 29 19.703 -2.884 2.654 176 HB3 CYS 29 3HB CYS 29 20.538 -1.729 3.687 177 H GLY 30 H GLY 30 20.586 -2.139 -0.168 178 HA2 GLY 30 2HA GLY 30 22.503 -2.013 -1.473 179 HA3 GLY 30 3HA GLY 30 23.094 -0.729 -0.429 Start of MODEL 11 1 H1 ALA 1 H ALA 1 0.184 -1.157 -0.117 2 HA ALA 1 HA ALA 1 1.950 0.045 -1.845 3 HB1 ALA 1 1HB ALA 1 0.006 1.142 -0.754 4 HB2 ALA 1 2HB ALA 1 0.963 1.278 0.722 5 HB3 ALA 1 3HB ALA 1 1.473 2.122 -0.741 6 H ALA 2 H ALA 2 3.996 0.886 -1.736 7 HA ALA 2 HA ALA 2 5.743 -0.255 0.254 8 HB1 ALA 2 1HB ALA 2 6.660 -0.278 -1.891 9 HB2 ALA 2 2HB ALA 2 6.182 1.390 -2.215 10 HB3 ALA 2 3HB ALA 2 7.496 1.052 -1.088 11 H GLY 3 H GLY 3 5.571 3.095 -0.965 12 HA2 GLY 3 2HA GLY 3 4.894 4.790 0.783 13 HA3 GLY 3 3HA GLY 3 6.087 3.996 1.800 14 H GLN 4 H GLN 4 5.752 6.775 0.516 15 HA GLN 4 HA GLN 4 8.197 6.955 -1.051 16 HB2 GLN 4 2HB GLN 4 5.932 8.233 -1.432 17 HB3 GLN 4 3HB GLN 4 6.587 9.340 -0.232 18 HG2 GLN 4 2HG GLN 4 8.703 9.184 -1.843 19 HG3 GLN 4 3HG GLN 4 7.434 8.836 -3.017 20 HE21 GLN 4 1HE2 GLN 4 9.089 11.110 -3.065 21 HE22 GLN 4 2HE2 GLN 4 8.095 12.502 -2.824 22 H CYS 5 H CYS 5 10.075 7.870 -0.385 23 HA CYS 5 HA CYS 5 10.600 8.018 2.395 24 HB2 CYS 5 2HB CYS 5 12.300 9.095 0.137 25 HB3 CYS 5 3HB CYS 5 12.842 8.681 1.761 26 H TYR 6 H TYR 6 11.334 9.857 3.605 27 HA TYR 6 HA TYR 6 10.010 12.342 2.753 28 HB2 TYR 6 2HB TYR 6 9.256 11.221 4.889 29 HB3 TYR 6 3HB TYR 6 10.839 11.595 5.561 30 HD1 TYR 6 HD2 TYR 6 11.533 14.039 5.699 31 HD2 TYR 6 HD1 TYR 6 7.535 12.818 4.905 32 HE1 TYR 6 HE2 TYR 6 10.727 16.264 6.367 33 HE2 TYR 6 HE1 TYR 6 6.718 15.040 5.571 34 HH TYR 6 HH TYR 6 8.446 17.670 5.702 35 H ARG 7 H ARG 7 11.270 13.949 2.120 36 HA ARG 7 HA ARG 7 13.148 15.174 1.684 37 HB2 ARG 7 2HB ARG 7 12.479 15.687 4.141 38 HB3 ARG 7 3HB ARG 7 13.910 14.754 4.558 39 HG2 ARG 7 2HG ARG 7 15.348 16.290 3.508 40 HG3 ARG 7 3HG ARG 7 14.013 17.080 2.666 41 HD2 ARG 7 2HD ARG 7 13.406 18.297 4.484 42 HD3 ARG 7 3HD ARG 7 13.884 17.036 5.620 43 HE ARG 7 HE ARG 7 15.488 19.219 4.689 44 HH11 ARG 7 1HH1 ARG 7 15.564 15.960 5.911 45 HH12 ARG 7 2HH1 ARG 7 17.173 16.095 6.541 46 HH21 ARG 7 1HH2 ARG 7 17.606 19.409 5.514 47 HH22 ARG 7 2HH2 ARG 7 18.333 18.057 6.315 48 H GLY 8 H GLY 8 13.428 12.358 1.211 49 HA2 GLY 8 2HA GLY 8 15.149 11.003 0.479 50 HA3 GLY 8 3HA GLY 8 16.285 12.233 1.013 51 H ARG 9 H ARG 9 13.869 10.728 3.073 52 HA ARG 9 HA ARG 9 15.792 8.921 4.258 53 HB2 ARG 9 2HB ARG 9 16.312 11.041 5.385 54 HB3 ARG 9 3HB ARG 9 14.628 11.199 5.869 55 HG2 ARG 9 2HG ARG 9 15.711 8.657 6.695 56 HG3 ARG 9 3HG ARG 9 16.682 10.000 7.302 57 HD2 ARG 9 2HD ARG 9 13.716 10.161 7.520 58 HD3 ARG 9 3HD ARG 9 14.590 9.109 8.633 59 HE ARG 9 HE ARG 9 15.839 11.614 8.609 60 HH11 ARG 9 1HH1 ARG 9 12.850 10.142 9.617 61 HH12 ARG 9 2HH1 ARG 9 12.578 11.268 10.905 62 HH21 ARG 9 1HH2 ARG 9 15.493 13.102 10.303 63 HH22 ARG 9 2HH2 ARG 9 14.082 12.952 11.294 64 H CYS 10 H CYS 10 14.827 7.193 5.189 65 HA CYS 10 HA CYS 10 11.892 7.176 5.201 66 HB2 CYS 10 2HB CYS 10 13.914 4.933 5.091 67 HB3 CYS 10 3HB CYS 10 12.182 4.673 5.266 68 H SER 11 H SER 11 11.064 5.422 6.873 69 HA SER 11 HA SER 11 11.485 6.525 9.435 70 HB2 SER 11 2HB SER 11 10.298 3.795 8.988 71 HB3 SER 11 3HB SER 11 9.874 4.996 10.209 72 HG SER 11 HG SER 11 8.492 5.798 8.859 73 H GLY 12 H GLY 12 12.476 5.664 11.280 74 HA2 GLY 12 2HA GLY 12 14.989 4.557 10.986 75 HA3 GLY 12 3HA GLY 12 14.060 4.507 12.476 76 H GLY 13 H GLY 13 15.287 2.713 9.840 77 HA2 GLY 13 2HA GLY 13 15.473 0.273 10.598 78 HA3 GLY 13 3HA GLY 13 13.717 0.350 10.639 79 H LEU 14 H LEU 14 13.437 1.984 8.288 80 HA LEU 14 HA LEU 14 13.868 -0.103 6.292 81 HB2 LEU 14 2HB LEU 14 12.140 2.350 6.392 82 HB3 LEU 14 3HB LEU 14 12.393 1.452 4.898 83 HG LEU 14 HG LEU 14 11.177 0.318 7.416 84 HD11 LEU 14 1HD1 LEU 14 10.042 1.783 5.143 85 HD12 LEU 14 2HD1 LEU 14 9.397 1.515 6.762 86 HD13 LEU 14 3HD1 LEU 14 9.231 0.265 5.529 87 HD21 LEU 14 3HD2 LEU 14 10.502 -1.511 5.832 88 HD22 LEU 14 1HD2 LEU 14 12.228 -1.425 6.189 89 HD23 LEU 14 2HD2 LEU 14 11.612 -0.806 4.656 90 H CYS 15 H CYS 15 14.239 0.843 3.982 91 HA CYS 15 HA CYS 15 16.325 2.915 4.103 92 HB2 CYS 15 2HB CYS 15 16.438 0.257 2.676 93 HB3 CYS 15 3HB CYS 15 17.530 1.588 2.311 94 H CYS 16 H CYS 16 16.543 4.221 2.270 95 HA CYS 16 HA CYS 16 14.125 4.456 0.696 96 HB2 CYS 16 2HB CYS 16 15.484 6.388 1.743 97 HB3 CYS 16 3HB CYS 16 16.579 6.169 0.381 98 H SER 17 H SER 17 13.851 3.723 -1.305 99 HA SER 17 HA SER 17 16.012 2.332 -2.622 100 HB2 SER 17 2HB SER 17 14.380 1.427 -4.049 101 HB3 SER 17 3HB SER 17 13.529 1.614 -2.516 102 HG SER 17 HG SER 17 12.211 2.918 -3.482 103 H LYS 18 H LYS 18 16.235 2.647 -5.060 104 HA LYS 18 HA LYS 18 17.116 5.306 -5.534 105 HB2 LYS 18 2HB LYS 18 17.899 2.988 -6.537 106 HB3 LYS 18 3HB LYS 18 16.715 3.375 -7.779 107 HG2 LYS 18 2HG LYS 18 17.971 5.027 -8.655 108 HG3 LYS 18 3HG LYS 18 18.604 5.528 -7.085 109 HD2 LYS 18 2HD LYS 18 19.788 3.135 -7.287 110 HD3 LYS 18 3HD LYS 18 19.632 3.519 -9.002 111 HE2 LYS 18 2HE LYS 18 20.611 5.730 -7.343 112 HE3 LYS 18 3HE LYS 18 21.679 4.328 -7.392 113 HZ1 LYS 18 3HZ LYS 18 20.582 5.613 -9.828 114 HZ2 LYS 18 1HZ LYS 18 21.823 4.467 -9.734 115 HZ3 LYS 18 2HZ LYS 18 22.075 6.035 -9.152 116 H TYR 19 H TYR 19 14.079 3.913 -5.709 117 HA TYR 19 HA TYR 19 13.149 5.730 -7.813 118 HB2 TYR 19 2HB TYR 19 12.109 3.205 -6.621 119 HB3 TYR 19 3HB TYR 19 10.935 4.362 -7.239 120 HD1 TYR 19 HD2 TYR 19 13.698 2.112 -8.134 121 HD2 TYR 19 HD1 TYR 19 10.724 4.776 -9.604 122 HE1 TYR 19 HE2 TYR 19 14.072 1.263 -10.412 123 HE2 TYR 19 HE1 TYR 19 11.088 3.933 -11.886 124 HH TYR 19 HH TYR 19 13.583 2.496 -12.939 125 H GLY 20 H GLY 20 13.703 5.954 -4.650 126 HA2 GLY 20 2HA GLY 20 13.042 7.655 -3.205 127 HA3 GLY 20 3HA GLY 20 11.737 8.054 -4.313 128 H TYR 21 H TYR 21 11.796 4.759 -3.675 129 HA TYR 21 HA TYR 21 9.597 5.071 -1.748 130 HB2 TYR 21 2HB TYR 21 10.230 2.750 -3.582 131 HB3 TYR 21 3HB TYR 21 8.851 2.848 -2.492 132 HD1 TYR 21 HD2 TYR 21 7.842 5.534 -2.888 133 HD2 TYR 21 HD1 TYR 21 9.415 2.805 -5.748 134 HE1 TYR 21 HE2 TYR 21 6.522 6.630 -4.651 135 HE2 TYR 21 HE1 TYR 21 8.100 3.893 -7.519 136 HH TYR 21 HH TYR 21 5.747 5.383 -7.412 137 H CYS 22 H CYS 22 9.652 4.093 0.206 138 HA CYS 22 HA CYS 22 12.183 3.145 1.164 139 HB2 CYS 22 2HB CYS 22 9.501 3.175 2.564 140 HB3 CYS 22 3HB CYS 22 11.074 2.971 3.329 141 H GLY 23 H GLY 23 12.512 1.093 2.249 142 HA2 GLY 23 2HA GLY 23 10.798 -1.082 2.218 143 HA3 GLY 23 3HA GLY 23 11.625 -1.099 0.667 144 H SER 24 H SER 24 12.536 -3.134 1.301 145 HA SER 24 HA SER 24 14.888 -2.790 3.034 146 HB2 SER 24 2HB SER 24 13.033 -4.069 4.180 147 HB3 SER 24 3HB SER 24 13.230 -5.318 2.950 148 HG SER 24 HG SER 24 14.995 -4.530 4.991 149 H GLY 25 H GLY 25 16.106 -5.179 2.742 150 HA2 GLY 25 2HA GLY 25 17.045 -6.686 1.202 151 HA3 GLY 25 3HA GLY 25 16.212 -5.844 -0.096 152 HA PRO 26 HA PRO 26 20.612 -4.515 0.079 153 HB2 PRO 26 2HB PRO 26 21.647 -5.837 -2.077 154 HB3 PRO 26 3HB PRO 26 21.808 -6.415 -0.431 155 HG2 PRO 26 2HG PRO 26 20.039 -7.410 -2.580 156 HG3 PRO 26 3HG PRO 26 20.525 -8.211 -1.099 157 HD2 PRO 26 2HD PRO 26 17.993 -6.972 -1.628 158 HD3 PRO 26 3HD PRO 26 18.521 -7.671 -0.111 159 H ALA 27 H ALA 27 18.263 -4.791 -2.282 160 HA ALA 27 HA ALA 27 19.405 -2.839 -4.063 161 HB1 ALA 27 1HB ALA 27 17.988 -4.607 -4.942 162 HB2 ALA 27 2HB ALA 27 16.632 -4.022 -3.977 163 HB3 ALA 27 3HB ALA 27 17.284 -3.025 -5.277 164 H TYR 28 H TYR 28 17.976 -2.604 -1.094 165 HA TYR 28 HA TYR 28 16.918 0.086 -1.675 166 HB2 TYR 28 2HB TYR 28 16.040 -1.984 0.327 167 HB3 TYR 28 3HB TYR 28 15.624 -0.284 0.517 168 HD1 TYR 28 HD1 TYR 28 15.592 -2.807 -2.250 169 HD2 TYR 28 HD2 TYR 28 13.509 0.276 -0.187 170 HE1 TYR 28 HE1 TYR 28 13.663 -3.119 -3.744 171 HE2 TYR 28 HE2 TYR 28 11.573 -0.029 -1.674 172 HH TYR 28 HH TYR 28 11.721 -2.101 -4.480 173 H CYS 29 H CYS 29 18.741 -1.897 0.609 174 HA CYS 29 HA CYS 29 19.600 0.489 2.059 175 HB2 CYS 29 2HB CYS 29 19.953 -2.463 2.585 176 HB3 CYS 29 3HB CYS 29 20.734 -1.218 3.554 177 H GLY 30 H GLY 30 20.724 -1.784 -0.287 178 HA2 GLY 30 2HA GLY 30 22.603 -1.610 -1.639 179 HA3 GLY 30 3HA GLY 30 23.138 -0.246 -0.668 Start of MODEL 12 1 H1 ALA 1 H ALA 1 3.039 0.136 -2.980 2 HA ALA 1 HA ALA 1 1.600 1.873 -1.289 3 HB1 ALA 1 1HB ALA 1 1.312 -1.058 -0.635 4 HB2 ALA 1 2HB ALA 1 0.835 0.280 0.411 5 HB3 ALA 1 3HB ALA 1 0.019 0.034 -1.132 6 H ALA 2 H ALA 2 4.289 1.441 -2.172 7 HA ALA 2 HA ALA 2 5.831 0.281 -0.063 8 HB1 ALA 2 1HB ALA 2 6.631 0.412 -2.391 9 HB2 ALA 2 2HB ALA 2 6.728 2.167 -2.238 10 HB3 ALA 2 3HB ALA 2 7.759 1.138 -1.245 11 H GLY 3 H GLY 3 5.821 3.660 -1.218 12 HA2 GLY 3 2HA GLY 3 5.124 5.336 0.540 13 HA3 GLY 3 3HA GLY 3 6.256 4.489 1.584 14 H GLN 4 H GLN 4 6.043 7.302 0.349 15 HA GLN 4 HA GLN 4 8.551 7.449 -1.118 16 HB2 GLN 4 2HB GLN 4 6.375 9.421 -0.482 17 HB3 GLN 4 3HB GLN 4 7.931 9.963 -1.097 18 HG2 GLN 4 2HG GLN 4 7.094 9.666 -3.126 19 HG3 GLN 4 3HG GLN 4 7.229 7.934 -2.825 20 HE21 GLN 4 1HE2 GLN 4 5.415 6.739 -2.503 21 HE22 GLN 4 2HE2 GLN 4 3.812 7.368 -2.650 22 H CYS 5 H CYS 5 10.426 8.289 -0.358 23 HA CYS 5 HA CYS 5 10.842 8.371 2.443 24 HB2 CYS 5 2HB CYS 5 12.662 9.431 0.274 25 HB3 CYS 5 3HB CYS 5 13.126 8.980 1.911 26 H TYR 6 H TYR 6 11.588 10.167 3.714 27 HA TYR 6 HA TYR 6 10.368 12.704 2.861 28 HB2 TYR 6 2HB TYR 6 10.876 11.535 5.594 29 HB3 TYR 6 3HB TYR 6 10.446 13.225 5.355 30 HD1 TYR 6 HD1 TYR 6 8.414 13.097 3.268 31 HD2 TYR 6 HD2 TYR 6 9.045 10.524 6.598 32 HE1 TYR 6 HE1 TYR 6 6.031 12.490 3.243 33 HE2 TYR 6 HE2 TYR 6 6.663 9.909 6.581 34 HH TYR 6 HH TYR 6 4.784 9.867 4.961 35 H ARG 7 H ARG 7 11.701 14.275 2.288 36 HA ARG 7 HA ARG 7 13.629 15.448 1.937 37 HB2 ARG 7 2HB ARG 7 12.876 15.929 4.390 38 HB3 ARG 7 3HB ARG 7 14.298 14.988 4.824 39 HG2 ARG 7 2HG ARG 7 15.299 16.738 2.974 40 HG3 ARG 7 3HG ARG 7 14.088 17.712 3.810 41 HD2 ARG 7 2HD ARG 7 15.180 16.717 5.958 42 HD3 ARG 7 3HD ARG 7 16.546 16.398 4.889 43 HE ARG 7 HE ARG 7 15.705 19.076 4.603 44 HH11 ARG 7 1HH1 ARG 7 17.341 16.963 6.834 45 HH12 ARG 7 2HH1 ARG 7 18.284 18.230 7.545 46 HH21 ARG 7 1HH2 ARG 7 16.940 20.753 5.532 47 HH22 ARG 7 2HH2 ARG 7 18.055 20.386 6.805 48 H GLY 8 H GLY 8 13.851 12.640 1.430 49 HA2 GLY 8 2HA GLY 8 15.560 11.242 0.754 50 HA3 GLY 8 3HA GLY 8 16.708 12.430 1.353 51 H ARG 9 H ARG 9 14.166 10.976 3.292 52 HA ARG 9 HA ARG 9 15.981 9.092 4.527 53 HB2 ARG 9 2HB ARG 9 16.186 11.503 5.588 54 HB3 ARG 9 3HB ARG 9 14.710 11.025 6.415 55 HG2 ARG 9 2HG ARG 9 16.655 8.921 6.575 56 HG3 ARG 9 3HG ARG 9 17.344 10.443 7.144 57 HD2 ARG 9 2HD ARG 9 14.648 9.493 8.058 58 HD3 ARG 9 3HD ARG 9 16.131 8.959 8.847 59 HE ARG 9 HE ARG 9 16.177 11.749 8.693 60 HH11 ARG 9 1HH1 ARG 9 14.390 9.216 10.277 61 HH12 ARG 9 2HH1 ARG 9 13.993 10.182 11.659 62 HH21 ARG 9 1HH2 ARG 9 15.661 13.031 10.508 63 HH22 ARG 9 2HH2 ARG 9 14.716 12.352 11.790 64 H CYS 10 H CYS 10 14.920 7.373 5.347 65 HA CYS 10 HA CYS 10 11.990 7.455 5.255 66 HB2 CYS 10 2HB CYS 10 13.944 5.151 5.203 67 HB3 CYS 10 3HB CYS 10 12.199 4.943 5.299 68 H SER 11 H SER 11 11.038 5.706 6.867 69 HA SER 11 HA SER 11 11.379 6.766 9.458 70 HB2 SER 11 2HB SER 11 10.042 4.181 8.622 71 HB3 SER 11 3HB SER 11 9.842 4.985 10.179 72 HG SER 11 HG SER 11 8.299 5.360 8.245 73 H GLY 12 H GLY 12 12.264 5.855 11.332 74 HA2 GLY 12 2HA GLY 12 14.753 4.675 11.133 75 HA3 GLY 12 3HA GLY 12 13.758 4.636 12.581 76 H GLY 13 H GLY 13 15.046 2.837 9.977 77 HA2 GLY 13 2HA GLY 13 15.124 0.384 10.712 78 HA3 GLY 13 3HA GLY 13 13.372 0.513 10.676 79 H LEU 14 H LEU 14 13.241 2.179 8.337 80 HA LEU 14 HA LEU 14 13.703 0.105 6.335 81 HB2 LEU 14 2HB LEU 14 12.039 2.603 6.391 82 HB3 LEU 14 3HB LEU 14 12.334 1.716 4.897 83 HG LEU 14 HG LEU 14 10.979 0.584 7.344 84 HD11 LEU 14 1HD1 LEU 14 8.919 0.808 6.175 85 HD12 LEU 14 2HD1 LEU 14 9.736 1.367 4.716 86 HD13 LEU 14 3HD1 LEU 14 9.709 2.385 6.156 87 HD21 LEU 14 3HD2 LEU 14 12.089 -1.137 6.081 88 HD22 LEU 14 1HD2 LEU 14 11.418 -0.517 4.572 89 HD23 LEU 14 2HD2 LEU 14 10.353 -1.236 5.781 90 H CYS 15 H CYS 15 14.200 1.069 4.055 91 HA CYS 15 HA CYS 15 16.338 3.077 4.296 92 HB2 CYS 15 2HB CYS 15 16.431 0.438 2.833 93 HB3 CYS 15 3HB CYS 15 17.576 1.741 2.532 94 H CYS 16 H CYS 16 16.673 4.403 2.495 95 HA CYS 16 HA CYS 16 14.330 4.733 0.825 96 HB2 CYS 16 2HB CYS 16 15.696 6.609 1.962 97 HB3 CYS 16 3HB CYS 16 16.841 6.382 0.645 98 H SER 17 H SER 17 14.125 4.047 -1.202 99 HA SER 17 HA SER 17 16.299 2.612 -2.447 100 HB2 SER 17 2HB SER 17 14.707 1.785 -3.963 101 HB3 SER 17 3HB SER 17 13.793 1.972 -2.467 102 HG SER 17 HG SER 17 12.558 3.327 -3.471 103 H LYS 18 H LYS 18 16.646 2.963 -4.864 104 HA LYS 18 HA LYS 18 17.625 5.603 -5.247 105 HB2 LYS 18 2HB LYS 18 18.274 4.816 -7.482 106 HB3 LYS 18 3HB LYS 18 18.747 3.673 -6.232 107 HG2 LYS 18 2HG LYS 18 16.938 2.211 -6.792 108 HG3 LYS 18 3HG LYS 18 16.266 3.397 -7.913 109 HD2 LYS 18 2HD LYS 18 18.637 3.207 -9.031 110 HD3 LYS 18 3HD LYS 18 18.665 1.647 -8.204 111 HE2 LYS 18 2HE LYS 18 17.141 0.752 -9.591 112 HE3 LYS 18 3HE LYS 18 16.166 2.220 -9.624 113 HZ1 LYS 18 3HZ LYS 18 17.180 1.607 -11.790 114 HZ2 LYS 18 1HZ LYS 18 18.707 1.900 -11.122 115 HZ3 LYS 18 2HZ LYS 18 17.588 3.161 -11.261 116 H TYR 19 H TYR 19 14.561 4.305 -5.588 117 HA TYR 19 HA TYR 19 13.784 6.176 -7.706 118 HB2 TYR 19 2HB TYR 19 12.573 3.696 -6.563 119 HB3 TYR 19 3HB TYR 19 11.511 4.890 -7.301 120 HD1 TYR 19 HD2 TYR 19 12.635 5.812 -9.651 121 HD2 TYR 19 HD1 TYR 19 13.119 1.944 -7.946 122 HE1 TYR 19 HE2 TYR 19 13.152 4.901 -11.877 123 HE2 TYR 19 HE1 TYR 19 13.639 1.023 -10.166 124 HH TYR 19 HH TYR 19 13.519 3.053 -13.070 125 H GLY 20 H GLY 20 14.176 6.309 -4.499 126 HA2 GLY 20 2HA GLY 20 13.513 8.031 -3.073 127 HA3 GLY 20 3HA GLY 20 12.268 8.477 -4.230 128 H TYR 21 H TYR 21 12.193 5.179 -3.649 129 HA TYR 21 HA TYR 21 9.932 5.530 -1.802 130 HB2 TYR 21 2HB TYR 21 10.573 3.251 -3.686 131 HB3 TYR 21 3HB TYR 21 9.185 3.307 -2.605 132 HD1 TYR 21 HD1 TYR 21 10.771 5.105 -5.450 133 HD2 TYR 21 HD2 TYR 21 7.187 4.300 -3.302 134 HE1 TYR 21 HE1 TYR 21 9.475 6.273 -7.185 135 HE2 TYR 21 HE2 TYR 21 5.882 5.464 -5.032 136 HH TYR 21 HH TYR 21 7.380 6.622 -7.996 137 H CYS 22 H CYS 22 9.873 4.514 0.134 138 HA CYS 22 HA CYS 22 12.334 3.479 1.180 139 HB2 CYS 22 2HB CYS 22 9.597 3.558 2.466 140 HB3 CYS 22 3HB CYS 22 11.129 3.298 3.293 141 H GLY 23 H GLY 23 12.555 1.399 2.246 142 HA2 GLY 23 2HA GLY 23 10.787 -0.726 2.097 143 HA3 GLY 23 3HA GLY 23 11.682 -0.739 0.585 144 H SER 24 H SER 24 12.505 -2.812 1.226 145 HA SER 24 HA SER 24 14.785 -2.563 3.066 146 HB2 SER 24 2HB SER 24 12.846 -3.805 4.109 147 HB3 SER 24 3HB SER 24 13.061 -5.039 2.868 148 HG SER 24 HG SER 24 14.272 -4.969 5.134 149 H GLY 25 H GLY 25 15.947 -4.982 2.789 150 HA2 GLY 25 2HA GLY 25 16.914 -6.490 1.268 151 HA3 GLY 25 3HA GLY 25 16.160 -5.608 -0.052 152 HA PRO 26 HA PRO 26 20.582 -4.403 0.333 153 HB2 PRO 26 2HB PRO 26 21.674 -5.721 -1.798 154 HB3 PRO 26 3HB PRO 26 21.748 -6.327 -0.155 155 HG2 PRO 26 2HG PRO 26 20.047 -7.242 -2.393 156 HG3 PRO 26 3HG PRO 26 20.447 -8.078 -0.906 157 HD2 PRO 26 2HD PRO 26 17.974 -6.762 -1.523 158 HD3 PRO 26 3HD PRO 26 18.417 -7.497 0.005 159 H ALA 27 H ALA 27 18.330 -4.579 -2.130 160 HA ALA 27 HA ALA 27 19.600 -2.635 -3.831 161 HB1 ALA 27 1HB ALA 27 17.228 -2.673 -4.898 162 HB2 ALA 27 2HB ALA 27 18.279 -4.081 -5.052 163 HB3 ALA 27 3HB ALA 27 16.982 -4.075 -3.857 164 H TYR 28 H TYR 28 18.053 -2.401 -0.921 165 HA TYR 28 HA TYR 28 17.101 0.327 -1.504 166 HB2 TYR 28 2HB TYR 28 16.073 -1.744 0.425 167 HB3 TYR 28 3HB TYR 28 15.699 -0.036 0.622 168 HD1 TYR 28 HD1 TYR 28 15.716 -2.522 -2.179 169 HD2 TYR 28 HD2 TYR 28 13.637 0.599 -0.170 170 HE1 TYR 28 HE1 TYR 28 13.848 -2.757 -3.761 171 HE2 TYR 28 HE2 TYR 28 11.762 0.372 -1.746 172 HH TYR 28 HH TYR 28 11.989 -1.455 -4.621 173 H CYS 29 H CYS 29 18.764 -1.745 0.821 174 HA CYS 29 HA CYS 29 19.626 0.591 2.350 175 HB2 CYS 29 2HB CYS 29 19.872 -2.378 2.837 176 HB3 CYS 29 3HB CYS 29 20.646 -1.173 3.860 177 H GLY 30 H GLY 30 20.788 -1.678 0.017 178 HA2 GLY 30 2HA GLY 30 23.585 -1.201 0.545 179 HA3 GLY 30 3HA GLY 30 22.915 -2.108 -0.802 Start of MODEL 13 1 H1 ALA 1 H ALA 1 6.966 -2.637 1.871 2 HA ALA 1 HA ALA 1 8.619 -0.412 1.395 3 HB1 ALA 1 1HB ALA 1 8.910 -1.502 -0.802 4 HB2 ALA 1 2HB ALA 1 7.170 -1.377 -1.067 5 HB3 ALA 1 3HB ALA 1 8.146 0.084 -0.919 6 H ALA 2 H ALA 2 7.508 1.175 2.307 7 HA ALA 2 HA ALA 2 4.633 0.997 2.579 8 HB1 ALA 2 1HB ALA 2 5.482 1.778 4.547 9 HB2 ALA 2 2HB ALA 2 6.780 2.676 3.760 10 HB3 ALA 2 3HB ALA 2 5.136 3.313 3.751 11 H GLY 3 H GLY 3 6.592 3.862 1.799 12 HA2 GLY 3 2HA GLY 3 5.145 4.257 -0.690 13 HA3 GLY 3 3HA GLY 3 4.802 5.431 0.573 14 H GLN 4 H GLN 4 5.749 7.250 -0.130 15 HA GLN 4 HA GLN 4 8.405 7.150 -1.314 16 HB2 GLN 4 2HB GLN 4 6.605 9.530 -0.832 17 HB3 GLN 4 3HB GLN 4 8.068 9.512 -1.808 18 HG2 GLN 4 2HG GLN 4 6.982 7.872 -3.314 19 HG3 GLN 4 3HG GLN 4 5.501 8.049 -2.374 20 HE21 GLN 4 1HE2 GLN 4 4.111 9.177 -3.526 21 HE22 GLN 4 2HE2 GLN 4 4.451 10.632 -4.392 22 H CYS 5 H CYS 5 10.231 8.079 -0.448 23 HA CYS 5 HA CYS 5 10.422 8.142 2.378 24 HB2 CYS 5 2HB CYS 5 12.391 9.180 0.328 25 HB3 CYS 5 3HB CYS 5 12.743 8.820 2.016 26 H TYR 6 H TYR 6 11.114 9.946 3.697 27 HA TYR 6 HA TYR 6 9.814 12.435 2.855 28 HB2 TYR 6 2HB TYR 6 9.359 11.113 5.095 29 HB3 TYR 6 3HB TYR 6 10.785 11.985 5.647 30 HD1 TYR 6 HD1 TYR 6 7.839 12.935 3.544 31 HD2 TYR 6 HD2 TYR 6 10.184 13.750 7.000 32 HE1 TYR 6 HE1 TYR 6 6.443 14.904 4.020 33 HE2 TYR 6 HE2 TYR 6 8.794 15.720 7.486 34 HH TYR 6 HH TYR 6 6.095 16.305 6.709 35 H ARG 7 H ARG 7 11.038 14.046 2.160 36 HA ARG 7 HA ARG 7 12.883 15.300 1.670 37 HB2 ARG 7 2HB ARG 7 12.252 15.799 4.157 38 HB3 ARG 7 3HB ARG 7 13.747 14.946 4.518 39 HG2 ARG 7 2HG ARG 7 14.881 16.556 2.920 40 HG3 ARG 7 3HG ARG 7 13.386 17.492 2.972 41 HD2 ARG 7 2HD ARG 7 13.618 17.937 5.267 42 HD3 ARG 7 3HD ARG 7 14.831 16.674 5.473 43 HE ARG 7 HE ARG 7 15.938 18.457 3.706 44 HH11 ARG 7 1HH1 ARG 7 14.673 18.604 6.946 45 HH12 ARG 7 2HH1 ARG 7 15.723 19.892 7.437 46 HH21 ARG 7 1HH2 ARG 7 17.325 20.153 4.340 47 HH22 ARG 7 2HH2 ARG 7 17.230 20.773 5.954 48 H GLY 8 H GLY 8 13.204 12.477 1.239 49 HA2 GLY 8 2HA GLY 8 14.942 11.157 0.478 50 HA3 GLY 8 3HA GLY 8 16.064 12.406 0.996 51 H ARG 9 H ARG 9 13.697 10.880 3.094 52 HA ARG 9 HA ARG 9 15.656 9.098 4.258 53 HB2 ARG 9 2HB ARG 9 15.907 11.477 5.277 54 HB3 ARG 9 3HB ARG 9 14.408 11.099 6.114 55 HG2 ARG 9 2HG ARG 9 16.341 8.958 6.352 56 HG3 ARG 9 3HG ARG 9 16.970 10.494 6.953 57 HD2 ARG 9 2HD ARG 9 14.210 9.813 7.748 58 HD3 ARG 9 3HD ARG 9 15.485 8.805 8.431 59 HE ARG 9 HE ARG 9 14.940 11.569 9.035 60 HH11 ARG 9 1HH1 ARG 9 17.310 9.020 9.085 61 HH12 ARG 9 2HH1 ARG 9 18.252 9.742 10.347 62 HH21 ARG 9 1HH2 ARG 9 16.171 12.530 10.698 63 HH22 ARG 9 2HH2 ARG 9 17.602 11.738 11.264 64 H CYS 10 H CYS 10 14.716 7.350 5.159 65 HA CYS 10 HA CYS 10 11.781 7.335 5.280 66 HB2 CYS 10 2HB CYS 10 13.750 5.047 5.074 67 HB3 CYS 10 3HB CYS 10 12.001 4.863 5.168 68 H SER 11 H SER 11 11.218 5.274 6.884 69 HA SER 11 HA SER 11 12.631 5.652 9.413 70 HB2 SER 11 2HB SER 11 9.639 6.030 9.135 71 HB3 SER 11 3HB SER 11 10.551 6.069 10.644 72 HG SER 11 HG SER 11 10.297 7.986 8.678 73 H GLY 12 H GLY 12 11.094 4.246 11.112 74 HA2 GLY 12 2HA GLY 12 10.571 2.109 11.767 75 HA3 GLY 12 3HA GLY 12 9.923 1.887 10.149 76 H GLY 13 H GLY 13 13.241 2.773 10.416 77 HA2 GLY 13 2HA GLY 13 15.197 1.572 10.178 78 HA3 GLY 13 3HA GLY 13 14.297 0.117 10.581 79 H LEU 14 H LEU 14 13.054 2.027 8.015 80 HA LEU 14 HA LEU 14 13.676 -0.094 6.130 81 HB2 LEU 14 2HB LEU 14 11.922 2.342 6.020 82 HB3 LEU 14 3HB LEU 14 12.245 1.355 4.595 83 HG LEU 14 HG LEU 14 10.994 0.285 7.120 84 HD11 LEU 14 1HD1 LEU 14 9.288 0.559 4.773 85 HD12 LEU 14 2HD1 LEU 14 9.819 2.103 5.438 86 HD13 LEU 14 3HD1 LEU 14 8.968 0.949 6.463 87 HD21 LEU 14 3HD2 LEU 14 10.283 -1.530 5.571 88 HD22 LEU 14 1HD2 LEU 14 12.027 -1.433 5.810 89 HD23 LEU 14 2HD2 LEU 14 11.305 -0.807 4.328 90 H CYS 15 H CYS 15 14.145 0.743 3.797 91 HA CYS 15 HA CYS 15 16.265 2.784 3.945 92 HB2 CYS 15 2HB CYS 15 16.269 0.189 2.394 93 HB3 CYS 15 3HB CYS 15 17.466 1.463 2.190 94 H CYS 16 H CYS 16 16.493 4.165 2.196 95 HA CYS 16 HA CYS 16 14.110 4.506 0.597 96 HB2 CYS 16 2HB CYS 16 15.637 6.331 1.719 97 HB3 CYS 16 3HB CYS 16 16.572 6.170 0.236 98 H SER 17 H SER 17 13.828 3.832 -1.424 99 HA SER 17 HA SER 17 15.956 2.416 -2.766 100 HB2 SER 17 2HB SER 17 14.308 1.601 -4.229 101 HB3 SER 17 3HB SER 17 13.453 1.769 -2.696 102 HG SER 17 HG SER 17 12.175 3.128 -3.639 103 H LYS 18 H LYS 18 16.208 2.792 -5.192 104 HA LYS 18 HA LYS 18 17.168 5.437 -5.586 105 HB2 LYS 18 2HB LYS 18 16.810 3.139 -7.516 106 HB3 LYS 18 3HB LYS 18 17.623 4.646 -7.917 107 HG2 LYS 18 2HG LYS 18 18.854 3.780 -5.579 108 HG3 LYS 18 3HG LYS 18 18.629 2.321 -6.546 109 HD2 LYS 18 2HD LYS 18 19.619 3.630 -8.484 110 HD3 LYS 18 3HD LYS 18 20.091 4.844 -7.292 111 HE2 LYS 18 2HE LYS 18 20.863 2.265 -6.345 112 HE3 LYS 18 3HE LYS 18 21.437 2.457 -8.001 113 HZ1 LYS 18 3HZ LYS 18 21.957 4.843 -6.679 114 HZ2 LYS 18 1HZ LYS 18 23.077 3.691 -7.211 115 HZ3 LYS 18 2HZ LYS 18 22.458 3.605 -5.639 116 H TYR 19 H TYR 19 14.094 4.137 -5.821 117 HA TYR 19 HA TYR 19 13.232 6.029 -7.886 118 HB2 TYR 19 2HB TYR 19 12.069 3.537 -6.720 119 HB3 TYR 19 3HB TYR 19 10.978 4.737 -7.404 120 HD1 TYR 19 HD1 TYR 19 11.028 5.243 -9.800 121 HD2 TYR 19 HD2 TYR 19 13.535 2.238 -8.128 122 HE1 TYR 19 HE1 TYR 19 11.455 4.353 -12.053 123 HE2 TYR 19 HE2 TYR 19 13.969 1.341 -10.377 124 HH TYR 19 HH TYR 19 13.922 2.153 -12.723 125 H GLY 20 H GLY 20 13.750 6.129 -4.695 126 HA2 GLY 20 2HA GLY 20 13.144 7.835 -3.225 127 HA3 GLY 20 3HA GLY 20 11.856 8.295 -4.329 128 H TYR 21 H TYR 21 11.818 4.987 -3.762 129 HA TYR 21 HA TYR 21 9.627 5.321 -1.829 130 HB2 TYR 21 2HB TYR 21 10.182 3.066 -3.767 131 HB3 TYR 21 3HB TYR 21 8.839 3.111 -2.630 132 HD1 TYR 21 HD2 TYR 21 10.311 4.930 -5.521 133 HD2 TYR 21 HD1 TYR 21 6.819 4.127 -3.227 134 HE1 TYR 21 HE2 TYR 21 8.950 6.124 -7.186 135 HE2 TYR 21 HE1 TYR 21 5.448 5.317 -4.886 136 HH TYR 21 HH TYR 21 5.443 6.503 -6.761 137 H CYS 22 H CYS 22 9.658 4.299 0.100 138 HA CYS 22 HA CYS 22 12.155 3.224 1.016 139 HB2 CYS 22 2HB CYS 22 9.504 3.278 2.469 140 HB3 CYS 22 3HB CYS 22 11.102 3.101 3.186 141 H GLY 23 H GLY 23 12.429 1.135 2.014 142 HA2 GLY 23 2HA GLY 23 10.609 -0.964 1.955 143 HA3 GLY 23 3HA GLY 23 11.434 -0.979 0.404 144 H SER 24 H SER 24 12.267 -3.061 0.978 145 HA SER 24 HA SER 24 14.619 -2.863 2.735 146 HB2 SER 24 2HB SER 24 12.709 -4.114 3.820 147 HB3 SER 24 3HB SER 24 12.872 -5.323 2.547 148 HG SER 24 HG SER 24 14.202 -6.121 4.015 149 H GLY 25 H GLY 25 15.756 -5.279 2.366 150 HA2 GLY 25 2HA GLY 25 16.658 -6.761 0.782 151 HA3 GLY 25 3HA GLY 25 15.860 -5.850 -0.492 152 HA PRO 26 HA PRO 26 20.299 -4.670 -0.249 153 HB2 PRO 26 2HB PRO 26 21.306 -5.953 -2.443 154 HB3 PRO 26 3HB PRO 26 21.438 -6.590 -0.816 155 HG2 PRO 26 2HG PRO 26 19.651 -7.456 -3.006 156 HG3 PRO 26 3HG PRO 26 20.102 -8.321 -1.550 157 HD2 PRO 26 2HD PRO 26 17.614 -6.984 -2.051 158 HD3 PRO 26 3HD PRO 26 18.110 -7.749 -0.554 159 H ALA 27 H ALA 27 17.957 -4.792 -2.630 160 HA ALA 27 HA ALA 27 19.172 -2.822 -4.341 161 HB1 ALA 27 1HB ALA 27 16.954 -2.859 -5.493 162 HB2 ALA 27 2HB ALA 27 17.743 -4.432 -5.372 163 HB3 ALA 27 3HB ALA 27 16.412 -4.028 -4.288 164 H TYR 28 H TYR 28 17.734 -2.636 -1.372 165 HA TYR 28 HA TYR 28 16.776 0.107 -1.868 166 HB2 TYR 28 2HB TYR 28 15.810 -1.995 0.060 167 HB3 TYR 28 3HB TYR 28 15.450 -0.288 0.300 168 HD1 TYR 28 HD2 TYR 28 15.354 -2.724 -2.543 169 HD2 TYR 28 HD1 TYR 28 13.362 0.366 -0.402 170 HE1 TYR 28 HE2 TYR 28 13.428 -2.923 -4.060 171 HE2 TYR 28 HE1 TYR 28 11.430 0.176 -1.912 172 HH TYR 28 HH TYR 28 11.494 -1.972 -4.715 173 H CYS 29 H CYS 29 18.512 -2.016 0.355 174 HA CYS 29 HA CYS 29 19.440 0.286 1.897 175 HB2 CYS 29 2HB CYS 29 19.740 -2.692 2.316 176 HB3 CYS 29 3HB CYS 29 20.486 -1.483 3.355 177 H GLY 30 H GLY 30 20.506 -1.936 -0.525 178 HA2 GLY 30 2HA GLY 30 23.324 -1.439 -0.093 179 HA3 GLY 30 3HA GLY 30 22.615 -2.374 -1.402 Start of MODEL 14 1 H1 ALA 1 H ALA 1 7.604 -2.638 2.823 2 HA ALA 1 HA ALA 1 8.446 0.013 2.271 3 HB1 ALA 1 1HB ALA 1 6.976 -2.102 0.796 4 HB2 ALA 1 2HB ALA 1 6.855 -0.445 0.202 5 HB3 ALA 1 3HB ALA 1 8.434 -1.214 0.353 6 H ALA 2 H ALA 2 6.945 1.691 1.359 7 HA ALA 2 HA ALA 2 4.236 1.698 2.365 8 HB1 ALA 2 1HB ALA 2 5.003 2.476 4.375 9 HB2 ALA 2 2HB ALA 2 6.403 3.275 3.659 10 HB3 ALA 2 3HB ALA 2 4.802 4.000 3.509 11 H GLY 3 H GLY 3 6.485 4.365 1.667 12 HA2 GLY 3 2HA GLY 3 5.284 4.773 -0.950 13 HA3 GLY 3 3HA GLY 3 4.955 6.025 0.238 14 H GLN 4 H GLN 4 6.116 7.720 -0.457 15 HA GLN 4 HA GLN 4 8.836 7.333 -1.414 16 HB2 GLN 4 2HB GLN 4 7.121 9.815 -1.223 17 HB3 GLN 4 3HB GLN 4 8.739 9.767 -1.911 18 HG2 GLN 4 2HG GLN 4 7.644 7.862 -3.391 19 HG3 GLN 4 3HG GLN 4 6.178 8.761 -3.003 20 HE21 GLN 4 1HE2 GLN 4 5.841 9.500 -5.065 21 HE22 GLN 4 2HE2 GLN 4 6.863 10.666 -5.828 22 H CYS 5 H CYS 5 10.663 8.254 -0.479 23 HA CYS 5 HA CYS 5 10.682 8.346 2.354 24 HB2 CYS 5 2HB CYS 5 12.809 9.263 0.407 25 HB3 CYS 5 3HB CYS 5 13.048 8.944 2.121 26 H TYR 6 H TYR 6 11.379 10.143 3.688 27 HA TYR 6 HA TYR 6 10.214 12.663 2.753 28 HB2 TYR 6 2HB TYR 6 10.980 11.890 5.573 29 HB3 TYR 6 3HB TYR 6 10.010 13.274 5.080 30 HD1 TYR 6 HD2 TYR 6 7.854 12.615 3.654 31 HD2 TYR 6 HD1 TYR 6 9.872 10.030 6.366 32 HE1 TYR 6 HE2 TYR 6 5.809 11.268 3.884 33 HE2 TYR 6 HE1 TYR 6 7.832 8.676 6.602 34 HH TYR 6 HH TYR 6 5.604 8.616 6.193 35 H ARG 7 H ARG 7 11.516 14.227 2.096 36 HA ARG 7 HA ARG 7 13.421 15.411 1.666 37 HB2 ARG 7 2HB ARG 7 12.718 15.997 4.094 38 HB3 ARG 7 3HB ARG 7 14.119 15.044 4.564 39 HG2 ARG 7 2HG ARG 7 15.467 16.540 3.018 40 HG3 ARG 7 3HG ARG 7 14.046 17.584 2.971 41 HD2 ARG 7 2HD ARG 7 14.554 16.929 5.682 42 HD3 ARG 7 3HD ARG 7 16.082 17.425 4.954 43 HE ARG 7 HE ARG 7 14.221 19.299 4.164 44 HH11 ARG 7 1HH1 ARG 7 15.511 18.113 7.173 45 HH12 ARG 7 2HH1 ARG 7 15.295 19.616 8.008 46 HH21 ARG 7 1HH2 ARG 7 13.932 21.282 5.253 47 HH22 ARG 7 2HH2 ARG 7 14.395 21.417 6.915 48 H GLY 8 H GLY 8 13.657 12.569 1.283 49 HA2 GLY 8 2HA GLY 8 15.375 11.181 0.600 50 HA3 GLY 8 3HA GLY 8 16.520 12.398 1.144 51 H ARG 9 H ARG 9 14.026 10.974 3.167 52 HA ARG 9 HA ARG 9 15.883 9.148 4.427 53 HB2 ARG 9 2HB ARG 9 16.266 11.448 5.456 54 HB3 ARG 9 3HB ARG 9 14.647 11.308 6.127 55 HG2 ARG 9 2HG ARG 9 15.309 9.914 7.740 56 HG3 ARG 9 3HG ARG 9 16.338 8.986 6.647 57 HD2 ARG 9 2HD ARG 9 18.162 10.049 7.351 58 HD3 ARG 9 3HD ARG 9 17.416 11.623 7.083 59 HE ARG 9 HE ARG 9 17.633 10.203 9.581 60 HH11 ARG 9 1HH1 ARG 9 15.931 12.665 7.802 61 HH12 ARG 9 2HH1 ARG 9 15.382 13.495 9.221 62 HH21 ARG 9 1HH2 ARG 9 16.917 11.286 11.456 63 HH22 ARG 9 2HH2 ARG 9 15.945 12.710 11.299 64 H CYS 10 H CYS 10 14.858 7.447 5.331 65 HA CYS 10 HA CYS 10 11.919 7.527 5.346 66 HB2 CYS 10 2HB CYS 10 13.811 5.171 5.196 67 HB3 CYS 10 3HB CYS 10 12.055 5.050 5.235 68 H SER 11 H SER 11 11.245 5.480 6.930 69 HA SER 11 HA SER 11 12.594 5.816 9.500 70 HB2 SER 11 2HB SER 11 9.599 6.122 9.322 71 HB3 SER 11 3HB SER 11 10.654 6.482 10.688 72 HG SER 11 HG SER 11 10.697 8.428 9.919 73 H GLY 12 H GLY 12 10.964 4.457 11.151 74 HA2 GLY 12 2HA GLY 12 10.368 2.335 11.790 75 HA3 GLY 12 3HA GLY 12 9.749 2.135 10.157 76 H GLY 13 H GLY 13 13.082 2.923 10.465 77 HA2 GLY 13 2HA GLY 13 15.007 1.669 10.256 78 HA3 GLY 13 3HA GLY 13 14.067 0.245 10.679 79 H LEU 14 H LEU 14 12.949 2.182 8.058 80 HA LEU 14 HA LEU 14 13.473 -0.005 6.221 81 HB2 LEU 14 2HB LEU 14 11.861 2.521 6.052 82 HB3 LEU 14 3HB LEU 14 12.161 1.514 4.637 83 HG LEU 14 HG LEU 14 10.802 0.521 7.137 84 HD11 LEU 14 1HD1 LEU 14 9.735 2.416 5.545 85 HD12 LEU 14 2HD1 LEU 14 8.790 1.186 6.384 86 HD13 LEU 14 3HD1 LEU 14 9.227 0.959 4.691 87 HD21 LEU 14 3HD2 LEU 14 11.235 -0.598 4.381 88 HD22 LEU 14 1HD2 LEU 14 9.987 -1.209 5.467 89 HD23 LEU 14 2HD2 LEU 14 11.685 -1.301 5.936 90 H CYS 15 H CYS 15 14.019 0.773 3.878 91 HA CYS 15 HA CYS 15 16.267 2.672 4.035 92 HB2 CYS 15 2HB CYS 15 16.115 0.076 2.491 93 HB3 CYS 15 3HB CYS 15 17.402 1.263 2.310 94 H CYS 16 H CYS 16 16.599 4.028 2.285 95 HA CYS 16 HA CYS 16 14.264 4.511 0.655 96 HB2 CYS 16 2HB CYS 16 15.935 6.225 1.787 97 HB3 CYS 16 3HB CYS 16 16.813 6.020 0.275 98 H SER 17 H SER 17 13.962 3.835 -1.362 99 HA SER 17 HA SER 17 16.014 2.284 -2.672 100 HB2 SER 17 2HB SER 17 14.334 1.556 -4.145 101 HB3 SER 17 3HB SER 17 13.476 1.789 -2.622 102 HG SER 17 HG SER 17 12.292 3.214 -3.590 103 H LYS 18 H LYS 18 16.308 2.625 -5.099 104 HA LYS 18 HA LYS 18 17.431 5.204 -5.502 105 HB2 LYS 18 2HB LYS 18 18.050 2.863 -6.534 106 HB3 LYS 18 3HB LYS 18 16.897 3.333 -7.776 107 HG2 LYS 18 2HG LYS 18 18.226 5.007 -8.576 108 HG3 LYS 18 3HG LYS 18 19.019 5.272 -7.022 109 HD2 LYS 18 2HD LYS 18 19.881 2.793 -7.510 110 HD3 LYS 18 3HD LYS 18 19.643 3.330 -9.174 111 HE2 LYS 18 2HE LYS 18 21.081 5.138 -7.302 112 HE3 LYS 18 3HE LYS 18 21.929 3.710 -7.894 113 HZ1 LYS 18 3HZ LYS 18 21.553 4.426 -10.146 114 HZ2 LYS 18 1HZ LYS 18 22.295 5.679 -9.285 115 HZ3 LYS 18 2HZ LYS 18 20.640 5.751 -9.624 116 H TYR 19 H TYR 19 14.286 4.091 -5.757 117 HA TYR 19 HA TYR 19 13.559 6.020 -7.840 118 HB2 TYR 19 2HB TYR 19 12.231 3.610 -6.672 119 HB3 TYR 19 3HB TYR 19 11.228 4.868 -7.386 120 HD1 TYR 19 HD2 TYR 19 12.263 5.708 -9.772 121 HD2 TYR 19 HD1 TYR 19 12.728 1.843 -8.054 122 HE1 TYR 19 HE2 TYR 19 12.674 4.770 -12.008 123 HE2 TYR 19 HE1 TYR 19 13.142 0.895 -10.286 124 HH TYR 19 HH TYR 19 14.083 2.386 -12.772 125 H GLY 20 H GLY 20 14.052 6.107 -4.647 126 HA2 GLY 20 2HA GLY 20 13.532 7.852 -3.190 127 HA3 GLY 20 3HA GLY 20 12.284 8.381 -4.308 128 H TYR 21 H TYR 21 12.034 5.087 -3.740 129 HA TYR 21 HA TYR 21 9.850 5.557 -1.829 130 HB2 TYR 21 2HB TYR 21 10.299 3.262 -3.748 131 HB3 TYR 21 3HB TYR 21 8.950 3.387 -2.625 132 HD1 TYR 21 HD2 TYR 21 10.550 5.110 -5.508 133 HD2 TYR 21 HD1 TYR 21 6.994 4.506 -3.250 134 HE1 TYR 21 HE2 TYR 21 9.273 6.367 -7.193 135 HE2 TYR 21 HE1 TYR 21 5.708 5.761 -4.929 136 HH TYR 21 HH TYR 21 6.081 6.250 -7.544 137 H CYS 22 H CYS 22 9.794 4.543 0.105 138 HA CYS 22 HA CYS 22 12.216 3.340 1.063 139 HB2 CYS 22 2HB CYS 22 9.550 3.549 2.474 140 HB3 CYS 22 3HB CYS 22 11.124 3.283 3.218 141 H GLY 23 H GLY 23 12.363 1.243 2.071 142 HA2 GLY 23 2HA GLY 23 10.433 -0.754 1.999 143 HA3 GLY 23 3HA GLY 23 11.275 -0.822 0.458 144 H SER 24 H SER 24 11.980 -2.946 1.061 145 HA SER 24 HA SER 24 14.321 -2.865 2.840 146 HB2 SER 24 2HB SER 24 12.333 -4.000 3.913 147 HB3 SER 24 3HB SER 24 12.441 -5.226 2.649 148 HG SER 24 HG SER 24 13.720 -6.092 4.117 149 H GLY 25 H GLY 25 15.326 -5.343 2.500 150 HA2 GLY 25 2HA GLY 25 16.159 -6.885 0.936 151 HA3 GLY 25 3HA GLY 25 15.430 -5.939 -0.353 152 HA PRO 26 HA PRO 26 19.926 -5.013 -0.062 153 HB2 PRO 26 2HB PRO 26 20.884 -6.364 -2.236 154 HB3 PRO 26 3HB PRO 26 20.959 -6.998 -0.604 155 HG2 PRO 26 2HG PRO 26 19.152 -7.773 -2.812 156 HG3 PRO 26 3HG PRO 26 19.535 -8.654 -1.346 157 HD2 PRO 26 2HD PRO 26 17.134 -7.180 -1.885 158 HD3 PRO 26 3HD PRO 26 17.567 -7.963 -0.378 159 H ALA 27 H ALA 27 17.612 -5.017 -2.474 160 HA ALA 27 HA ALA 27 18.958 -3.127 -4.177 161 HB1 ALA 27 1HB ALA 27 16.687 -3.025 -5.300 162 HB2 ALA 27 2HB ALA 27 17.487 -4.597 -5.284 163 HB3 ALA 27 3HB ALA 27 16.176 -4.263 -4.153 164 H TYR 28 H TYR 28 17.496 -2.844 -1.229 165 HA TYR 28 HA TYR 28 16.696 -0.056 -1.752 166 HB2 TYR 28 2HB TYR 28 15.592 -2.089 0.175 167 HB3 TYR 28 3HB TYR 28 15.324 -0.364 0.401 168 HD1 TYR 28 HD2 TYR 28 15.128 -2.808 -2.430 169 HD2 TYR 28 HD1 TYR 28 13.285 0.401 -0.331 170 HE1 TYR 28 HE2 TYR 28 13.213 -2.908 -3.970 171 HE2 TYR 28 HE1 TYR 28 11.364 0.309 -1.864 172 HH TYR 28 HH TYR 28 10.286 -1.243 -3.373 173 H CYS 29 H CYS 29 18.286 -2.257 0.504 174 HA CYS 29 HA CYS 29 19.319 -0.002 2.047 175 HB2 CYS 29 2HB CYS 29 19.473 -2.990 2.484 176 HB3 CYS 29 3HB CYS 29 20.238 -1.804 3.536 177 H GLY 30 H GLY 30 20.293 -2.294 -0.350 178 HA2 GLY 30 2HA GLY 30 22.206 -2.211 -1.671 179 HA3 GLY 30 3HA GLY 30 22.848 -0.961 -0.616 Start of MODEL 15 1 H1 ALA 1 H ALA 1 7.446 -2.577 0.618 2 HA ALA 1 HA ALA 1 8.357 0.007 1.250 3 HB1 ALA 1 1HB ALA 1 7.865 0.551 -1.090 4 HB2 ALA 1 2HB ALA 1 8.710 -0.990 -0.939 5 HB3 ALA 1 3HB ALA 1 6.974 -0.963 -1.249 6 H ALA 2 H ALA 2 7.294 1.605 2.199 7 HA ALA 2 HA ALA 2 4.404 1.584 2.344 8 HB1 ALA 2 1HB ALA 2 6.560 3.226 3.612 9 HB2 ALA 2 2HB ALA 2 4.876 3.748 3.680 10 HB3 ALA 2 3HB ALA 2 5.347 2.195 4.372 11 H GLY 3 H GLY 3 6.554 4.355 1.750 12 HA2 GLY 3 2HA GLY 3 5.197 4.926 -0.764 13 HA3 GLY 3 3HA GLY 3 4.947 6.090 0.528 14 H GLN 4 H GLN 4 6.056 7.835 -0.130 15 HA GLN 4 HA GLN 4 8.709 7.527 -1.284 16 HB2 GLN 4 2HB GLN 4 7.050 10.007 -0.800 17 HB3 GLN 4 3HB GLN 4 8.583 9.961 -1.659 18 HG2 GLN 4 2HG GLN 4 7.672 8.810 -3.470 19 HG3 GLN 4 3HG GLN 4 6.249 8.315 -2.555 20 HE21 GLN 4 1HE2 GLN 4 4.563 9.223 -3.499 21 HE22 GLN 4 2HE2 GLN 4 4.423 10.888 -3.937 22 H CYS 5 H CYS 5 10.592 8.391 -0.408 23 HA CYS 5 HA CYS 5 10.793 8.300 2.417 24 HB2 CYS 5 2HB CYS 5 12.824 9.436 0.489 25 HB3 CYS 5 3HB CYS 5 13.127 8.804 2.105 26 H TYR 6 H TYR 6 11.440 9.980 3.859 27 HA TYR 6 HA TYR 6 10.437 12.621 3.039 28 HB2 TYR 6 2HB TYR 6 10.652 11.383 5.791 29 HB3 TYR 6 3HB TYR 6 10.107 13.027 5.473 30 HD1 TYR 6 HD1 TYR 6 8.266 12.893 3.335 31 HD2 TYR 6 HD2 TYR 6 8.898 10.032 6.419 32 HE1 TYR 6 HE1 TYR 6 5.965 12.078 3.041 33 HE2 TYR 6 HE2 TYR 6 6.599 9.207 6.134 34 HH TYR 6 HH TYR 6 4.325 10.813 3.984 35 H ARG 7 H ARG 7 11.895 14.157 2.737 36 HA ARG 7 HA ARG 7 13.905 15.243 2.689 37 HB2 ARG 7 2HB ARG 7 12.905 15.699 5.016 38 HB3 ARG 7 3HB ARG 7 14.105 14.560 5.613 39 HG2 ARG 7 2HG ARG 7 15.829 15.990 5.289 40 HG3 ARG 7 3HG ARG 7 15.086 16.739 3.874 41 HD2 ARG 7 2HD ARG 7 13.372 17.654 5.618 42 HD3 ARG 7 3HD ARG 7 14.660 17.316 6.773 43 HE ARG 7 HE ARG 7 15.836 19.098 5.938 44 HH11 ARG 7 1HH1 ARG 7 13.242 18.301 3.757 45 HH12 ARG 7 2HH1 ARG 7 13.461 19.712 2.775 46 HH21 ARG 7 1HH2 ARG 7 16.133 20.959 4.653 47 HH22 ARG 7 2HH2 ARG 7 15.106 21.222 3.285 48 H GLY 8 H GLY 8 14.055 12.454 2.041 49 HA2 GLY 8 2HA GLY 8 15.745 10.981 1.507 50 HA3 GLY 8 3HA GLY 8 16.883 12.104 2.237 51 H ARG 9 H ARG 9 14.112 10.650 3.854 52 HA ARG 9 HA ARG 9 15.787 8.735 5.246 53 HB2 ARG 9 2HB ARG 9 14.416 11.007 6.692 54 HB3 ARG 9 3HB ARG 9 15.083 9.587 7.486 55 HG2 ARG 9 2HG ARG 9 17.307 10.168 6.714 56 HG3 ARG 9 3HG ARG 9 16.657 11.559 5.844 57 HD2 ARG 9 2HD ARG 9 15.719 12.243 8.168 58 HD3 ARG 9 3HD ARG 9 16.930 11.123 8.792 59 HE ARG 9 HE ARG 9 18.196 12.830 6.988 60 HH11 ARG 9 1HH1 ARG 9 16.597 12.989 10.076 61 HH12 ARG 9 2HH1 ARG 9 17.523 14.343 10.633 62 HH21 ARG 9 1HH2 ARG 9 19.423 14.613 7.709 63 HH22 ARG 9 2HH2 ARG 9 19.130 15.266 9.285 64 H CYS 10 H CYS 10 14.674 6.950 5.776 65 HA CYS 10 HA CYS 10 11.762 7.016 5.396 66 HB2 CYS 10 2HB CYS 10 13.776 4.775 5.210 67 HB3 CYS 10 3HB CYS 10 12.038 4.495 5.216 68 H SER 11 H SER 11 10.837 4.913 6.694 69 HA SER 11 HA SER 11 10.789 5.729 9.394 70 HB2 SER 11 2HB SER 11 8.969 4.478 8.128 71 HB3 SER 11 3HB SER 11 9.925 3.018 8.379 72 HG SER 11 HG SER 11 8.229 4.168 10.057 73 H GLY 12 H GLY 12 11.413 4.495 11.279 74 HA2 GLY 12 2HA GLY 12 14.104 3.698 11.238 75 HA3 GLY 12 3HA GLY 12 12.982 3.420 12.562 76 H GLY 13 H GLY 13 14.531 2.060 9.776 77 HA2 GLY 13 2HA GLY 13 14.949 -0.415 10.220 78 HA3 GLY 13 3HA GLY 13 13.196 -0.519 10.294 79 H LEU 14 H LEU 14 13.059 1.572 8.111 80 HA LEU 14 HA LEU 14 13.306 -0.324 5.905 81 HB2 LEU 14 2HB LEU 14 11.861 2.285 6.249 82 HB3 LEU 14 3HB LEU 14 12.051 1.529 4.668 83 HG LEU 14 HG LEU 14 10.626 0.316 7.036 84 HD11 LEU 14 1HD1 LEU 14 9.631 2.337 5.703 85 HD12 LEU 14 2HD1 LEU 14 8.626 0.946 6.109 86 HD13 LEU 14 3HD1 LEU 14 9.300 1.103 4.487 87 HD21 LEU 14 3HD2 LEU 14 11.760 -0.893 4.750 88 HD22 LEU 14 1HD2 LEU 14 10.011 -0.887 4.524 89 HD23 LEU 14 2HD2 LEU 14 10.711 -1.624 5.965 90 H CYS 15 H CYS 15 13.845 0.810 3.718 91 HA CYS 15 HA CYS 15 16.105 2.654 4.078 92 HB2 CYS 15 2HB CYS 15 16.083 0.102 2.462 93 HB3 CYS 15 3HB CYS 15 17.303 1.356 2.269 94 H CYS 16 H CYS 16 16.504 4.065 2.363 95 HA CYS 16 HA CYS 16 14.196 4.614 0.714 96 HB2 CYS 16 2HB CYS 16 15.725 6.328 1.919 97 HB3 CYS 16 3HB CYS 16 16.809 6.091 0.552 98 H SER 17 H SER 17 13.917 3.980 -1.317 99 HA SER 17 HA SER 17 15.995 2.489 -2.656 100 HB2 SER 17 2HB SER 17 14.334 1.787 -4.161 101 HB3 SER 17 3HB SER 17 13.460 1.969 -2.640 102 HG SER 17 HG SER 17 12.272 3.413 -3.575 103 H LYS 18 H LYS 18 16.303 2.905 -5.070 104 HA LYS 18 HA LYS 18 17.403 5.504 -5.388 105 HB2 LYS 18 2HB LYS 18 17.115 3.088 -7.124 106 HB3 LYS 18 3HB LYS 18 17.554 4.619 -7.870 107 HG2 LYS 18 2HG LYS 18 19.524 4.783 -6.507 108 HG3 LYS 18 3HG LYS 18 19.053 3.351 -5.588 109 HD2 LYS 18 2HD LYS 18 19.319 3.110 -8.543 110 HD3 LYS 18 3HD LYS 18 20.792 3.211 -7.575 111 HE2 LYS 18 2HE LYS 18 18.920 1.375 -6.387 112 HE3 LYS 18 3HE LYS 18 19.223 0.945 -8.070 113 HZ1 LYS 18 3HZ LYS 18 21.151 1.133 -5.843 114 HZ2 LYS 18 1HZ LYS 18 21.669 1.222 -7.451 115 HZ3 LYS 18 2HZ LYS 18 20.871 -0.161 -6.895 116 H TYR 19 H TYR 19 14.270 4.370 -5.699 117 HA TYR 19 HA TYR 19 13.541 6.362 -7.723 118 HB2 TYR 19 2HB TYR 19 12.263 3.876 -6.683 119 HB3 TYR 19 3HB TYR 19 11.215 5.151 -7.295 120 HD1 TYR 19 HD1 TYR 19 11.281 5.788 -9.660 121 HD2 TYR 19 HD2 TYR 19 13.672 2.601 -8.167 122 HE1 TYR 19 HE1 TYR 19 11.668 5.009 -11.961 123 HE2 TYR 19 HE2 TYR 19 14.067 1.814 -10.464 124 HH TYR 19 HH TYR 19 13.628 2.117 -12.615 125 H GLY 20 H GLY 20 14.035 6.389 -4.548 126 HA2 GLY 20 2HA GLY 20 13.466 8.048 -3.021 127 HA3 GLY 20 3HA GLY 20 12.231 8.613 -4.137 128 H TYR 21 H TYR 21 12.017 5.291 -3.672 129 HA TYR 21 HA TYR 21 9.789 5.680 -1.792 130 HB2 TYR 21 2HB TYR 21 10.288 3.417 -3.737 131 HB3 TYR 21 3HB TYR 21 8.891 3.566 -2.677 132 HD1 TYR 21 HD2 TYR 21 7.625 5.917 -2.933 133 HD2 TYR 21 HD1 TYR 21 10.025 4.080 -5.927 134 HE1 TYR 21 HE2 TYR 21 6.445 7.208 -4.663 135 HE2 TYR 21 HE1 TYR 21 8.853 5.366 -7.665 136 HH TYR 21 HH TYR 21 6.776 6.531 -8.008 137 H CYS 22 H CYS 22 9.700 4.589 0.103 138 HA CYS 22 HA CYS 22 12.120 3.394 1.074 139 HB2 CYS 22 2HB CYS 22 9.408 3.541 2.407 140 HB3 CYS 22 3HB CYS 22 10.945 3.202 3.195 141 H GLY 23 H GLY 23 12.272 1.265 2.024 142 HA2 GLY 23 2HA GLY 23 10.392 -0.765 1.831 143 HA3 GLY 23 3HA GLY 23 11.261 -0.758 0.303 144 H SER 24 H SER 24 11.991 -2.893 0.845 145 HA SER 24 HA SER 24 14.308 -2.832 2.655 146 HB2 SER 24 2HB SER 24 12.328 -4.025 3.676 147 HB3 SER 24 3HB SER 24 12.463 -5.212 2.379 148 HG SER 24 HG SER 24 14.371 -4.603 4.384 149 H GLY 25 H GLY 25 15.351 -5.286 2.256 150 HA2 GLY 25 2HA GLY 25 16.217 -6.773 0.654 151 HA3 GLY 25 3HA GLY 25 15.495 -5.793 -0.614 152 HA PRO 26 HA PRO 26 19.978 -4.835 -0.232 153 HB2 PRO 26 2HB PRO 26 20.978 -6.108 -2.434 154 HB3 PRO 26 3HB PRO 26 21.038 -6.792 -0.822 155 HG2 PRO 26 2HG PRO 26 19.268 -7.514 -3.077 156 HG3 PRO 26 3HG PRO 26 19.640 -8.437 -1.635 157 HD2 PRO 26 2HD PRO 26 17.232 -6.970 -2.160 158 HD3 PRO 26 3HD PRO 26 17.653 -7.796 -0.673 159 H ALA 27 H ALA 27 17.698 -4.788 -2.678 160 HA ALA 27 HA ALA 27 19.049 -2.829 -4.299 161 HB1 ALA 27 1HB ALA 27 16.145 -3.623 -4.410 162 HB2 ALA 27 2HB ALA 27 17.103 -2.858 -5.679 163 HB3 ALA 27 3HB ALA 27 17.443 -4.521 -5.199 164 H TYR 28 H TYR 28 17.539 -2.656 -1.367 165 HA TYR 28 HA TYR 28 16.705 0.135 -1.817 166 HB2 TYR 28 2HB TYR 28 15.609 -1.973 0.033 167 HB3 TYR 28 3HB TYR 28 15.315 -0.261 0.312 168 HD1 TYR 28 HD2 TYR 28 15.189 -2.609 -2.603 169 HD2 TYR 28 HD1 TYR 28 13.269 0.494 -0.414 170 HE1 TYR 28 HE2 TYR 28 13.292 -2.686 -4.167 171 HE2 TYR 28 HE1 TYR 28 11.366 0.424 -1.971 172 HH TYR 28 HH TYR 28 10.348 -1.380 -3.552 173 H CYS 29 H CYS 29 18.296 -2.109 0.399 174 HA CYS 29 HA CYS 29 19.282 0.118 2.012 175 HB2 CYS 29 2HB CYS 29 19.429 -2.878 2.374 176 HB3 CYS 29 3HB CYS 29 20.220 -1.732 3.451 177 H GLY 30 H GLY 30 20.313 -2.100 -0.428 178 HA2 GLY 30 2HA GLY 30 23.136 -1.767 0.083 179 HA3 GLY 30 3HA GLY 30 22.412 -2.596 -1.287 Start of MODEL 16 1 H1 ALA 1 H ALA 1 7.311 0.324 -0.849 2 HA ALA 1 HA ALA 1 6.444 -2.056 0.315 3 HB1 ALA 1 1HB ALA 1 7.253 -1.736 2.647 4 HB2 ALA 1 2HB ALA 1 8.524 -2.161 1.499 5 HB3 ALA 1 3HB ALA 1 8.351 -0.493 2.047 6 H ALA 2 H ALA 2 7.052 1.028 1.974 7 HA ALA 2 HA ALA 2 4.229 1.293 2.550 8 HB1 ALA 2 1HB ALA 2 4.947 3.309 3.819 9 HB2 ALA 2 2HB ALA 2 5.758 1.824 4.318 10 HB3 ALA 2 3HB ALA 2 6.603 2.991 3.301 11 H GLY 3 H GLY 3 6.496 3.820 1.491 12 HA2 GLY 3 2HA GLY 3 5.026 4.364 -0.917 13 HA3 GLY 3 3HA GLY 3 4.699 5.533 0.353 14 H GLN 4 H GLN 4 5.720 7.333 -0.277 15 HA GLN 4 HA GLN 4 8.378 7.172 -1.449 16 HB2 GLN 4 2HB GLN 4 6.763 9.658 -0.884 17 HB3 GLN 4 3HB GLN 4 8.123 9.491 -1.987 18 HG2 GLN 4 2HG GLN 4 6.338 7.625 -2.922 19 HG3 GLN 4 3HG GLN 4 5.299 8.952 -2.406 20 HE21 GLN 4 1HE2 GLN 4 4.705 9.640 -4.407 21 HE22 GLN 4 2HE2 GLN 4 5.801 10.339 -5.545 22 H CYS 5 H CYS 5 10.225 8.066 -0.564 23 HA CYS 5 HA CYS 5 10.421 8.014 2.263 24 HB2 CYS 5 2HB CYS 5 12.420 9.161 0.306 25 HB3 CYS 5 3HB CYS 5 12.744 8.601 1.943 26 H TYR 6 H TYR 6 11.061 9.736 3.675 27 HA TYR 6 HA TYR 6 9.862 12.297 2.894 28 HB2 TYR 6 2HB TYR 6 9.109 11.003 4.976 29 HB3 TYR 6 3HB TYR 6 10.643 11.489 5.691 30 HD1 TYR 6 HD2 TYR 6 8.082 13.266 3.620 31 HD2 TYR 6 HD1 TYR 6 10.329 13.172 7.232 32 HE1 TYR 6 HE2 TYR 6 7.083 15.411 4.291 33 HE2 TYR 6 HE1 TYR 6 9.335 15.316 7.913 34 HH TYR 6 HH TYR 6 7.188 17.113 5.757 35 H ARG 7 H ARG 7 11.178 13.879 2.313 36 HA ARG 7 HA ARG 7 13.084 15.093 1.981 37 HB2 ARG 7 2HB ARG 7 12.317 15.609 4.389 38 HB3 ARG 7 3HB ARG 7 13.673 14.607 4.890 39 HG2 ARG 7 2HG ARG 7 15.217 16.083 3.731 40 HG3 ARG 7 3HG ARG 7 13.867 17.072 3.171 41 HD2 ARG 7 2HD ARG 7 13.339 17.742 5.399 42 HD3 ARG 7 3HD ARG 7 14.470 16.573 6.079 43 HE ARG 7 HE ARG 7 16.183 18.045 5.685 44 HH11 ARG 7 1HH1 ARG 7 13.350 19.076 3.943 45 HH12 ARG 7 2HH1 ARG 7 14.029 20.602 3.483 46 HH21 ARG 7 1HH2 ARG 7 17.087 20.052 5.086 47 HH22 ARG 7 2HH2 ARG 7 16.154 21.156 4.133 48 H GLY 8 H GLY 8 13.361 12.285 1.469 49 HA2 GLY 8 2HA GLY 8 15.110 10.940 0.781 50 HA3 GLY 8 3HA GLY 8 16.227 12.136 1.418 51 H ARG 9 H ARG 9 13.683 10.616 3.299 52 HA ARG 9 HA ARG 9 15.506 8.734 4.525 53 HB2 ARG 9 2HB ARG 9 15.712 11.101 5.634 54 HB3 ARG 9 3HB ARG 9 14.190 10.663 6.399 55 HG2 ARG 9 2HG ARG 9 15.542 9.831 7.987 56 HG3 ARG 9 3HG ARG 9 15.622 8.442 6.902 57 HD2 ARG 9 2HD ARG 9 17.771 8.827 6.372 58 HD3 ARG 9 3HD ARG 9 17.538 10.573 6.289 59 HE ARG 9 HE ARG 9 18.569 9.097 8.487 60 HH11 ARG 9 1HH1 ARG 9 16.639 11.877 7.672 61 HH12 ARG 9 2HH1 ARG 9 17.010 12.727 9.135 62 HH21 ARG 9 1HH2 ARG 9 19.065 10.206 10.418 63 HH22 ARG 9 2HH2 ARG 9 18.391 11.775 10.696 64 H CYS 10 H CYS 10 14.457 6.987 5.295 65 HA CYS 10 HA CYS 10 11.526 7.041 5.183 66 HB2 CYS 10 2HB CYS 10 13.502 4.757 5.083 67 HB3 CYS 10 3HB CYS 10 11.758 4.532 5.161 68 H SER 11 H SER 11 10.574 5.254 6.744 69 HA SER 11 HA SER 11 10.902 6.243 9.365 70 HB2 SER 11 2HB SER 11 8.850 5.085 8.319 71 HB3 SER 11 3HB SER 11 9.659 3.573 8.729 72 HG SER 11 HG SER 11 8.870 5.639 10.506 73 H GLY 12 H GLY 12 11.793 5.296 11.213 74 HA2 GLY 12 2HA GLY 12 14.281 4.120 10.988 75 HA3 GLY 12 3HA GLY 12 13.286 4.049 12.435 76 H GLY 13 H GLY 13 14.574 2.307 9.794 77 HA2 GLY 13 2HA GLY 13 14.646 -0.163 10.483 78 HA3 GLY 13 3HA GLY 13 12.895 -0.029 10.432 79 H LEU 14 H LEU 14 12.797 1.689 8.126 80 HA LEU 14 HA LEU 14 13.272 -0.345 6.086 81 HB2 LEU 14 2HB LEU 14 11.618 2.159 6.178 82 HB3 LEU 14 3HB LEU 14 11.928 1.305 4.668 83 HG LEU 14 HG LEU 14 10.538 0.125 7.072 84 HD11 LEU 14 1HD1 LEU 14 8.528 0.240 5.596 85 HD12 LEU 14 2HD1 LEU 14 9.460 1.257 4.499 86 HD13 LEU 14 3HD1 LEU 14 9.127 1.807 6.141 87 HD21 LEU 14 3HD2 LEU 14 9.855 -1.484 5.089 88 HD22 LEU 14 1HD2 LEU 14 11.339 -1.729 6.010 89 HD23 LEU 14 2HD2 LEU 14 11.400 -0.939 4.434 90 H CYS 15 H CYS 15 13.797 0.667 3.833 91 HA CYS 15 HA CYS 15 15.951 2.649 4.145 92 HB2 CYS 15 2HB CYS 15 16.018 0.040 2.630 93 HB3 CYS 15 3HB CYS 15 17.161 1.343 2.320 94 H CYS 16 H CYS 16 16.333 4.005 2.365 95 HA CYS 16 HA CYS 16 13.996 4.428 0.704 96 HB2 CYS 16 2HB CYS 16 15.385 6.248 1.901 97 HB3 CYS 16 3HB CYS 16 16.532 6.041 0.582 98 H SER 17 H SER 17 13.786 3.783 -1.334 99 HA SER 17 HA SER 17 15.952 2.367 -2.616 100 HB2 SER 17 2HB SER 17 14.354 1.584 -4.148 101 HB3 SER 17 3HB SER 17 13.439 1.745 -2.649 102 HG SER 17 HG SER 17 12.218 3.135 -3.623 103 H LYS 18 H LYS 18 16.303 2.776 -5.022 104 HA LYS 18 HA LYS 18 17.296 5.418 -5.340 105 HB2 LYS 18 2HB LYS 18 18.043 3.115 -6.406 106 HB3 LYS 18 3HB LYS 18 16.936 3.601 -7.684 107 HG2 LYS 18 2HG LYS 18 18.324 5.179 -8.459 108 HG3 LYS 18 3HG LYS 18 18.813 5.688 -6.842 109 HD2 LYS 18 2HD LYS 18 19.959 3.236 -6.975 110 HD3 LYS 18 3HD LYS 18 20.040 3.731 -8.667 111 HE2 LYS 18 2HE LYS 18 22.021 4.571 -7.839 112 HE3 LYS 18 3HE LYS 18 20.952 5.963 -7.682 113 HZ1 LYS 18 3HZ LYS 18 20.858 5.752 -5.417 114 HZ2 LYS 18 1HZ LYS 18 22.440 5.223 -5.702 115 HZ3 LYS 18 2HZ LYS 18 21.208 4.097 -5.429 116 H TYR 19 H TYR 19 14.225 4.145 -5.715 117 HA TYR 19 HA TYR 19 13.460 6.084 -7.778 118 HB2 TYR 19 2HB TYR 19 12.279 3.548 -6.753 119 HB3 TYR 19 3HB TYR 19 11.177 4.771 -7.373 120 HD1 TYR 19 HD2 TYR 19 11.575 5.637 -9.744 121 HD2 TYR 19 HD1 TYR 19 13.429 2.125 -8.217 122 HE1 TYR 19 HE2 TYR 19 12.024 4.882 -12.041 123 HE2 TYR 19 HE1 TYR 19 13.885 1.361 -10.510 124 HH TYR 19 HH TYR 19 13.905 3.215 -13.094 125 H GLY 20 H GLY 20 13.879 6.170 -4.595 126 HA2 GLY 20 2HA GLY 20 13.200 7.817 -3.101 127 HA3 GLY 20 3HA GLY 20 11.968 8.315 -4.252 128 H TYR 21 H TYR 21 11.878 4.995 -3.764 129 HA TYR 21 HA TYR 21 9.592 5.305 -1.941 130 HB2 TYR 21 2HB TYR 21 10.241 3.018 -3.812 131 HB3 TYR 21 3HB TYR 21 8.792 3.165 -2.823 132 HD1 TYR 21 HD2 TYR 21 7.701 5.698 -3.200 133 HD2 TYR 21 HD1 TYR 21 9.850 3.380 -6.048 134 HE1 TYR 21 HE2 TYR 21 6.574 6.905 -5.023 135 HE2 TYR 21 HE1 TYR 21 8.730 4.581 -7.879 136 HH TYR 21 HH TYR 21 6.074 6.130 -7.709 137 H CYS 22 H CYS 22 9.498 4.230 -0.036 138 HA CYS 22 HA CYS 22 11.944 3.168 1.020 139 HB2 CYS 22 2HB CYS 22 9.188 3.204 2.267 140 HB3 CYS 22 3HB CYS 22 10.711 2.935 3.108 141 H GLY 23 H GLY 23 12.160 1.060 2.019 142 HA2 GLY 23 2HA GLY 23 10.396 -1.062 1.795 143 HA3 GLY 23 3HA GLY 23 11.302 -1.030 0.290 144 H SER 24 H SER 24 12.119 -3.122 0.880 145 HA SER 24 HA SER 24 14.393 -2.922 2.734 146 HB2 SER 24 2HB SER 24 12.448 -4.182 3.744 147 HB3 SER 24 3HB SER 24 12.663 -5.388 2.476 148 HG SER 24 HG SER 24 13.770 -5.835 4.500 149 H GLY 25 H GLY 25 15.548 -5.338 2.404 150 HA2 GLY 25 2HA GLY 25 16.506 -6.817 0.848 151 HA3 GLY 25 3HA GLY 25 15.770 -5.891 -0.452 152 HA PRO 26 HA PRO 26 20.199 -4.737 -0.005 153 HB2 PRO 26 2HB PRO 26 21.293 -6.004 -2.165 154 HB3 PRO 26 3HB PRO 26 21.351 -6.657 -0.540 155 HG2 PRO 26 2HG PRO 26 19.657 -7.492 -2.814 156 HG3 PRO 26 3HG PRO 26 20.040 -8.374 -1.349 157 HD2 PRO 26 2HD PRO 26 17.583 -7.018 -1.944 158 HD3 PRO 26 3HD PRO 26 18.009 -7.801 -0.435 159 H ALA 27 H ALA 27 17.967 -4.828 -2.492 160 HA ALA 27 HA ALA 27 19.265 -2.842 -4.123 161 HB1 ALA 27 1HB ALA 27 17.154 -2.880 -5.416 162 HB2 ALA 27 2HB ALA 27 17.865 -4.480 -5.198 163 HB3 ALA 27 3HB ALA 27 16.479 -3.990 -4.223 164 H TYR 28 H TYR 28 17.692 -2.684 -1.223 165 HA TYR 28 HA TYR 28 16.749 0.061 -1.738 166 HB2 TYR 28 2HB TYR 28 15.709 -2.060 0.128 167 HB3 TYR 28 3HB TYR 28 15.337 -0.357 0.373 168 HD1 TYR 28 HD2 TYR 28 15.365 -2.754 -2.505 169 HD2 TYR 28 HD1 TYR 28 13.275 0.297 -0.401 170 HE1 TYR 28 HE2 TYR 28 13.503 -2.937 -4.102 171 HE2 TYR 28 HE1 TYR 28 11.406 0.121 -1.991 172 HH TYR 28 HH TYR 28 10.718 -2.236 -3.767 173 H CYS 29 H CYS 29 18.394 -2.074 0.544 174 HA CYS 29 HA CYS 29 19.252 0.220 2.137 175 HB2 CYS 29 2HB CYS 29 19.484 -2.762 2.548 176 HB3 CYS 29 3HB CYS 29 20.264 -1.589 3.604 177 H GLY 30 H GLY 30 20.425 -1.994 -0.245 178 HA2 GLY 30 2HA GLY 30 23.220 -1.507 0.311 179 HA3 GLY 30 3HA GLY 30 22.565 -2.419 -1.042 Start of MODEL 17 1 H1 ALA 1 H ALA 1 4.510 3.328 4.886 2 HA ALA 1 HA ALA 1 7.289 3.719 5.183 3 HB1 ALA 1 1HB ALA 1 6.174 1.427 6.796 4 HB2 ALA 1 2HB ALA 1 7.880 1.813 6.562 5 HB3 ALA 1 3HB ALA 1 6.841 2.917 7.463 6 H ALA 2 H ALA 2 6.349 3.504 2.880 7 HA ALA 2 HA ALA 2 7.351 1.130 1.747 8 HB1 ALA 2 1HB ALA 2 5.223 0.228 0.818 9 HB2 ALA 2 2HB ALA 2 5.377 0.050 2.566 10 HB3 ALA 2 3HB ALA 2 4.347 1.315 1.896 11 H GLY 3 H GLY 3 5.228 3.918 1.417 12 HA2 GLY 3 2HA GLY 3 5.316 4.039 -1.426 13 HA3 GLY 3 3HA GLY 3 4.828 5.339 -0.349 14 H GLN 4 H GLN 4 5.943 7.082 -0.949 15 HA GLN 4 HA GLN 4 8.713 6.828 -1.802 16 HB2 GLN 4 2HB GLN 4 7.059 8.275 -3.020 17 HB3 GLN 4 3HB GLN 4 7.033 9.330 -1.614 18 HG2 GLN 4 2HG GLN 4 9.516 9.594 -1.903 19 HG3 GLN 4 3HG GLN 4 9.342 8.762 -3.447 20 HE21 GLN 4 1HE2 GLN 4 8.788 11.676 -1.684 21 HE22 GLN 4 2HE2 GLN 4 8.279 12.642 -3.023 22 H CYS 5 H CYS 5 10.450 7.898 -0.825 23 HA CYS 5 HA CYS 5 10.383 7.974 2.008 24 HB2 CYS 5 2HB CYS 5 12.502 9.101 0.167 25 HB3 CYS 5 3HB CYS 5 12.701 8.684 1.866 26 H TYR 6 H TYR 6 10.863 9.795 3.380 27 HA TYR 6 HA TYR 6 9.700 12.288 2.336 28 HB2 TYR 6 2HB TYR 6 8.467 11.245 4.198 29 HB3 TYR 6 3HB TYR 6 9.913 11.330 5.199 30 HD1 TYR 6 HD1 TYR 6 8.074 13.735 2.995 31 HD2 TYR 6 HD2 TYR 6 9.774 12.957 6.817 32 HE1 TYR 6 HE1 TYR 6 7.421 15.987 3.737 33 HE2 TYR 6 HE2 TYR 6 9.124 15.206 7.570 34 HH TYR 6 HH TYR 6 7.182 17.334 5.541 35 H ARG 7 H ARG 7 11.105 13.843 1.910 36 HA ARG 7 HA ARG 7 13.034 15.065 1.873 37 HB2 ARG 7 2HB ARG 7 11.799 15.595 4.134 38 HB3 ARG 7 3HB ARG 7 13.188 14.786 4.847 39 HG2 ARG 7 2HG ARG 7 14.682 16.376 3.744 40 HG3 ARG 7 3HG ARG 7 13.284 17.190 3.037 41 HD2 ARG 7 2HD ARG 7 12.787 18.256 4.951 42 HD3 ARG 7 3HD ARG 7 13.137 16.840 5.941 43 HE ARG 7 HE ARG 7 15.568 17.824 5.028 44 HH11 ARG 7 1HH1 ARG 7 12.936 18.874 7.051 45 HH12 ARG 7 2HH1 ARG 7 13.932 19.884 8.046 46 HH21 ARG 7 1HH2 ARG 7 16.889 19.151 6.330 47 HH22 ARG 7 2HH2 ARG 7 16.180 20.042 7.634 48 H GLY 8 H GLY 8 13.500 12.339 1.440 49 HA2 GLY 8 2HA GLY 8 15.327 10.956 1.215 50 HA3 GLY 8 3HA GLY 8 16.293 12.203 1.990 51 H ARG 9 H ARG 9 13.457 10.757 3.459 52 HA ARG 9 HA ARG 9 15.118 9.069 5.165 53 HB2 ARG 9 2HB ARG 9 14.843 11.377 6.212 54 HB3 ARG 9 3HB ARG 9 13.137 10.986 6.384 55 HG2 ARG 9 2HG ARG 9 13.721 9.055 7.766 56 HG3 ARG 9 3HG ARG 9 15.430 9.460 7.600 57 HD2 ARG 9 2HD ARG 9 14.619 11.794 8.507 58 HD3 ARG 9 3HD ARG 9 13.288 10.833 9.149 59 HE ARG 9 HE ARG 9 15.510 9.472 9.924 60 HH11 ARG 9 1HH1 ARG 9 14.430 12.763 10.272 61 HH12 ARG 9 2HH1 ARG 9 15.249 13.010 11.779 62 HH21 ARG 9 1HH2 ARG 9 16.592 9.785 11.908 63 HH22 ARG 9 2HH2 ARG 9 16.479 11.316 12.708 64 H CYS 10 H CYS 10 14.134 7.215 5.760 65 HA CYS 10 HA CYS 10 11.368 6.837 4.856 66 HB2 CYS 10 2HB CYS 10 13.641 4.926 5.365 67 HB3 CYS 10 3HB CYS 10 11.982 4.364 5.187 68 H SER 11 H SER 11 10.426 4.814 6.264 69 HA SER 11 HA SER 11 10.175 5.935 8.945 70 HB2 SER 11 2HB SER 11 8.512 4.165 7.224 71 HB3 SER 11 3HB SER 11 8.372 3.959 8.970 72 HG SER 11 HG SER 11 8.269 6.545 7.898 73 H GLY 12 H GLY 12 10.331 4.643 10.842 74 HA2 GLY 12 2HA GLY 12 11.488 3.198 12.205 75 HA3 GLY 12 3HA GLY 12 11.016 1.979 11.030 76 H GLY 13 H GLY 13 12.611 0.913 10.065 77 HA2 GLY 13 2HA GLY 13 15.242 2.244 9.875 78 HA3 GLY 13 3HA GLY 13 15.083 0.567 10.379 79 H LEU 14 H LEU 14 13.108 1.967 7.857 80 HA LEU 14 HA LEU 14 13.936 -0.048 6.001 81 HB2 LEU 14 2HB LEU 14 12.086 2.307 5.854 82 HB3 LEU 14 3HB LEU 14 12.483 1.366 4.417 83 HG LEU 14 HG LEU 14 11.127 0.320 6.902 84 HD11 LEU 14 1HD1 LEU 14 9.189 0.057 5.394 85 HD12 LEU 14 2HD1 LEU 14 10.081 0.916 4.139 86 HD13 LEU 14 3HD1 LEU 14 9.650 1.742 5.636 87 HD21 LEU 14 3HD2 LEU 14 10.822 -1.451 4.760 88 HD22 LEU 14 1HD2 LEU 14 11.782 -1.689 6.220 89 HD23 LEU 14 2HD2 LEU 14 12.531 -1.012 4.773 90 H CYS 15 H CYS 15 14.362 0.767 3.635 91 HA CYS 15 HA CYS 15 16.453 2.840 3.748 92 HB2 CYS 15 2HB CYS 15 16.469 0.175 2.336 93 HB3 CYS 15 3HB CYS 15 17.563 1.480 1.888 94 H CYS 16 H CYS 16 16.733 4.128 1.894 95 HA CYS 16 HA CYS 16 14.302 4.440 0.331 96 HB2 CYS 16 2HB CYS 16 15.793 6.307 1.460 97 HB3 CYS 16 3HB CYS 16 16.703 6.183 -0.042 98 H SER 17 H SER 17 14.058 3.797 -1.708 99 HA SER 17 HA SER 17 16.224 2.414 -3.025 100 HB2 SER 17 2HB SER 17 14.609 1.581 -4.513 101 HB3 SER 17 3HB SER 17 13.727 1.737 -2.994 102 HG SER 17 HG SER 17 12.455 3.098 -3.944 103 H LYS 18 H LYS 18 16.517 2.806 -5.439 104 HA LYS 18 HA LYS 18 17.439 5.468 -5.807 105 HB2 LYS 18 2HB LYS 18 17.077 3.415 -7.985 106 HB3 LYS 18 3HB LYS 18 18.230 4.742 -7.932 107 HG2 LYS 18 2HG LYS 18 19.707 3.252 -7.208 108 HG3 LYS 18 3HG LYS 18 18.835 3.282 -5.673 109 HD2 LYS 18 2HD LYS 18 18.500 1.095 -5.978 110 HD3 LYS 18 3HD LYS 18 17.346 1.554 -7.232 111 HE2 LYS 18 2HE LYS 18 18.815 1.102 -8.938 112 HE3 LYS 18 3HE LYS 18 20.236 1.388 -7.934 113 HZ1 LYS 18 3HZ LYS 18 19.756 -0.699 -6.774 114 HZ2 LYS 18 1HZ LYS 18 20.023 -0.945 -8.426 115 HZ3 LYS 18 2HZ LYS 18 18.448 -0.980 -7.810 116 H TYR 19 H TYR 19 14.393 4.115 -6.106 117 HA TYR 19 HA TYR 19 13.538 6.003 -8.179 118 HB2 TYR 19 2HB TYR 19 12.447 3.456 -7.090 119 HB3 TYR 19 3HB TYR 19 11.294 4.645 -7.685 120 HD1 TYR 19 HD1 TYR 19 11.730 5.570 -10.076 121 HD2 TYR 19 HD2 TYR 19 13.443 1.975 -8.577 122 HE1 TYR 19 HE1 TYR 19 12.124 4.804 -12.380 123 HE2 TYR 19 HE2 TYR 19 13.843 1.200 -10.877 124 HH TYR 19 HH TYR 19 12.391 2.298 -13.465 125 H GLY 20 H GLY 20 14.014 6.133 -4.997 126 HA2 GLY 20 2HA GLY 20 13.339 7.808 -3.527 127 HA3 GLY 20 3HA GLY 20 12.061 8.245 -4.652 128 H TYR 21 H TYR 21 12.050 4.940 -4.126 129 HA TYR 21 HA TYR 21 9.820 5.222 -2.233 130 HB2 TYR 21 2HB TYR 21 10.480 2.905 -4.062 131 HB3 TYR 21 3HB TYR 21 9.046 3.055 -3.053 132 HD1 TYR 21 HD2 TYR 21 7.889 5.544 -3.482 133 HD2 TYR 21 HD1 TYR 21 10.060 3.210 -6.300 134 HE1 TYR 21 HE2 TYR 21 6.711 6.677 -5.319 135 HE2 TYR 21 HE1 TYR 21 8.889 4.338 -8.145 136 HH TYR 21 HH TYR 21 6.795 7.083 -7.587 137 H CYS 22 H CYS 22 9.816 4.197 -0.301 138 HA CYS 22 HA CYS 22 12.316 3.218 0.704 139 HB2 CYS 22 2HB CYS 22 9.576 3.314 1.985 140 HB3 CYS 22 3HB CYS 22 11.072 2.919 2.825 141 H GLY 23 H GLY 23 12.554 1.140 1.819 142 HA2 GLY 23 2HA GLY 23 10.860 -1.027 1.665 143 HA3 GLY 23 3HA GLY 23 11.725 -1.013 0.136 144 H SER 24 H SER 24 12.614 -3.065 0.747 145 HA SER 24 HA SER 24 14.933 -2.766 2.528 146 HB2 SER 24 2HB SER 24 13.043 -4.029 3.639 147 HB3 SER 24 3HB SER 24 13.250 -5.275 2.408 148 HG SER 24 HG SER 24 15.317 -4.372 4.130 149 H GLY 25 H GLY 25 16.117 -5.178 2.239 150 HA2 GLY 25 2HA GLY 25 17.064 -6.683 0.706 151 HA3 GLY 25 3HA GLY 25 16.257 -5.827 -0.600 152 HA PRO 26 HA PRO 26 20.668 -4.550 -0.370 153 HB2 PRO 26 2HB PRO 26 21.706 -5.863 -2.529 154 HB3 PRO 26 3HB PRO 26 21.845 -6.460 -0.887 155 HG2 PRO 26 2HG PRO 26 20.083 -7.411 -3.062 156 HG3 PRO 26 3HG PRO 26 20.545 -8.233 -1.585 157 HD2 PRO 26 2HD PRO 26 18.034 -6.957 -2.125 158 HD3 PRO 26 3HD PRO 26 18.539 -7.677 -0.609 159 H ALA 27 H ALA 27 18.335 -4.770 -2.750 160 HA ALA 27 HA ALA 27 19.517 -2.821 -4.508 161 HB1 ALA 27 1HB ALA 27 17.475 -2.997 -5.784 162 HB2 ALA 27 2HB ALA 27 18.029 -4.610 -5.333 163 HB3 ALA 27 3HB ALA 27 16.688 -3.863 -4.465 164 H TYR 28 H TYR 28 18.069 -2.589 -1.545 165 HA TYR 28 HA TYR 28 17.075 0.128 -2.106 166 HB2 TYR 28 2HB TYR 28 16.125 -1.944 -0.139 167 HB3 TYR 28 3HB TYR 28 15.743 -0.238 0.064 168 HD1 TYR 28 HD2 TYR 28 15.690 -2.737 -2.725 169 HD2 TYR 28 HD1 TYR 28 13.653 0.380 -0.665 170 HE1 TYR 28 HE2 TYR 28 13.775 -2.991 -4.247 171 HE2 TYR 28 HE1 TYR 28 11.732 0.133 -2.181 172 HH TYR 28 HH TYR 28 11.809 -1.284 -5.033 173 H CYS 29 H CYS 29 18.834 -1.922 0.165 174 HA CYS 29 HA CYS 29 19.717 0.421 1.669 175 HB2 CYS 29 2HB CYS 29 20.007 -2.547 2.135 176 HB3 CYS 29 3HB CYS 29 20.824 -1.343 3.127 177 H GLY 30 H GLY 30 20.833 -1.827 -0.708 178 HA2 GLY 30 2HA GLY 30 23.639 -1.312 -0.276 179 HA3 GLY 30 3HA GLY 30 22.934 -2.220 -1.606 Start of MODEL 18 1 H1 ALA 1 H ALA 1 3.609 -0.749 -4.709 2 HA ALA 1 HA ALA 1 2.890 1.705 -3.548 3 HB1 ALA 1 1HB ALA 1 0.645 0.483 -3.633 4 HB2 ALA 1 2HB ALA 1 1.298 -0.539 -2.352 5 HB3 ALA 1 3HB ALA 1 1.130 1.197 -2.095 6 H ALA 2 H ALA 2 4.072 2.075 -1.734 7 HA ALA 2 HA ALA 2 5.043 -0.051 -0.068 8 HB1 ALA 2 1HB ALA 2 6.635 -0.372 -1.804 9 HB2 ALA 2 2HB ALA 2 6.945 1.361 -1.925 10 HB3 ALA 2 3HB ALA 2 7.460 0.471 -0.492 11 H GLY 3 H GLY 3 5.459 3.330 -1.068 12 HA2 GLY 3 2HA GLY 3 4.718 4.917 0.753 13 HA3 GLY 3 3HA GLY 3 5.839 4.030 1.776 14 H GLN 4 H GLN 4 5.626 6.897 0.670 15 HA GLN 4 HA GLN 4 8.157 7.129 -0.747 16 HB2 GLN 4 2HB GLN 4 6.070 8.464 -1.329 17 HB3 GLN 4 3HB GLN 4 6.361 9.382 0.143 18 HG2 GLN 4 2HG GLN 4 8.275 10.366 -0.688 19 HG3 GLN 4 3HG GLN 4 8.527 9.100 -1.890 20 HE21 GLN 4 1HE2 GLN 4 7.513 9.229 -3.848 21 HE22 GLN 4 2HE2 GLN 4 6.628 10.618 -4.370 22 H CYS 5 H CYS 5 10.009 7.972 0.076 23 HA CYS 5 HA CYS 5 10.388 7.910 2.884 24 HB2 CYS 5 2HB CYS 5 12.194 9.056 0.744 25 HB3 CYS 5 3HB CYS 5 12.670 8.662 2.392 26 H TYR 6 H TYR 6 11.845 9.937 3.724 27 HA TYR 6 HA TYR 6 10.301 12.384 3.197 28 HB2 TYR 6 2HB TYR 6 10.823 11.035 5.818 29 HB3 TYR 6 3HB TYR 6 10.697 12.790 5.764 30 HD1 TYR 6 HD1 TYR 6 8.576 13.856 5.064 31 HD2 TYR 6 HD2 TYR 6 8.893 9.645 5.581 32 HE1 TYR 6 HE1 TYR 6 6.123 13.687 5.137 33 HE2 TYR 6 HE2 TYR 6 6.441 9.464 5.655 34 HH TYR 6 HH TYR 6 4.503 10.929 6.195 35 H ARG 7 H ARG 7 11.632 13.900 2.488 36 HA ARG 7 HA ARG 7 13.546 15.065 2.045 37 HB2 ARG 7 2HB ARG 7 12.872 15.650 4.483 38 HB3 ARG 7 3HB ARG 7 14.271 14.684 4.934 39 HG2 ARG 7 2HG ARG 7 15.659 16.156 3.470 40 HG3 ARG 7 3HG ARG 7 14.240 17.183 3.262 41 HD2 ARG 7 2HD ARG 7 14.209 17.790 5.526 42 HD3 ARG 7 3HD ARG 7 15.270 16.458 5.985 43 HE ARG 7 HE ARG 7 17.082 17.753 5.438 44 HH11 ARG 7 1HH1 ARG 7 14.194 19.203 4.143 45 HH12 ARG 7 2HH1 ARG 7 14.986 20.669 3.669 46 HH21 ARG 7 1HH2 ARG 7 18.136 19.679 4.819 47 HH22 ARG 7 2HH2 ARG 7 17.228 20.938 4.054 48 H GLY 8 H GLY 8 13.738 12.205 1.681 49 HA2 GLY 8 2HA GLY 8 15.445 10.818 0.955 50 HA3 GLY 8 3HA GLY 8 16.606 12.008 1.525 51 H ARG 9 H ARG 9 14.085 10.604 3.523 52 HA ARG 9 HA ARG 9 15.900 8.718 4.753 53 HB2 ARG 9 2HB ARG 9 15.128 11.293 6.038 54 HB3 ARG 9 3HB ARG 9 15.199 9.857 7.052 55 HG2 ARG 9 2HG ARG 9 17.370 10.232 7.273 56 HG3 ARG 9 3HG ARG 9 17.552 9.792 5.573 57 HD2 ARG 9 2HD ARG 9 17.228 12.121 4.926 58 HD3 ARG 9 3HD ARG 9 17.002 12.569 6.616 59 HE ARG 9 HE ARG 9 19.496 11.262 6.199 60 HH11 ARG 9 1HH1 ARG 9 17.845 14.304 5.830 61 HH12 ARG 9 2HH1 ARG 9 19.292 15.251 5.928 62 HH21 ARG 9 1HH2 ARG 9 21.409 12.497 6.330 63 HH22 ARG 9 2HH2 ARG 9 21.319 14.222 6.212 64 H CYS 10 H CYS 10 14.835 7.022 5.612 65 HA CYS 10 HA CYS 10 11.901 7.155 5.607 66 HB2 CYS 10 2HB CYS 10 13.771 4.779 5.502 67 HB3 CYS 10 3HB CYS 10 12.014 4.667 5.541 68 H SER 11 H SER 11 11.188 5.111 7.198 69 HA SER 11 HA SER 11 12.480 5.487 9.792 70 HB2 SER 11 2HB SER 11 10.411 6.032 10.921 71 HB3 SER 11 3HB SER 11 10.651 7.184 9.608 72 HG SER 11 HG SER 11 8.524 5.807 10.004 73 H GLY 12 H GLY 12 10.851 4.128 11.429 74 HA2 GLY 12 2HA GLY 12 10.261 2.008 12.082 75 HA3 GLY 12 3HA GLY 12 9.665 1.787 10.444 76 H GLY 13 H GLY 13 12.979 2.612 10.727 77 HA2 GLY 13 2HA GLY 13 14.918 1.361 10.595 78 HA3 GLY 13 3HA GLY 13 13.975 -0.070 10.985 79 H LEU 14 H LEU 14 12.932 1.900 8.351 80 HA LEU 14 HA LEU 14 13.575 -0.266 6.506 81 HB2 LEU 14 2HB LEU 14 11.780 2.135 6.347 82 HB3 LEU 14 3HB LEU 14 12.163 1.165 4.927 83 HG LEU 14 HG LEU 14 10.874 0.042 7.409 84 HD11 LEU 14 1HD1 LEU 14 8.761 0.267 6.393 85 HD12 LEU 14 2HD1 LEU 14 9.465 0.765 4.855 86 HD13 LEU 14 3HD1 LEU 14 9.532 1.846 6.247 87 HD21 LEU 14 3HD2 LEU 14 11.015 -1.027 4.593 88 HD22 LEU 14 1HD2 LEU 14 10.345 -1.837 6.010 89 HD23 LEU 14 2HD2 LEU 14 12.079 -1.528 5.909 90 H CYS 15 H CYS 15 14.081 0.573 4.178 91 HA CYS 15 HA CYS 15 16.189 2.624 4.378 92 HB2 CYS 15 2HB CYS 15 16.215 0.094 2.718 93 HB3 CYS 15 3HB CYS 15 17.452 1.346 2.675 94 H CYS 16 H CYS 16 16.384 4.078 2.708 95 HA CYS 16 HA CYS 16 14.039 4.409 1.056 96 HB2 CYS 16 2HB CYS 16 15.446 6.246 2.264 97 HB3 CYS 16 3HB CYS 16 16.492 6.127 0.852 98 H SER 17 H SER 17 13.821 3.800 -0.994 99 HA SER 17 HA SER 17 16.009 2.467 -2.325 100 HB2 SER 17 2HB SER 17 14.414 1.668 -3.855 101 HB3 SER 17 3HB SER 17 13.521 1.767 -2.337 102 HG SER 17 HG SER 17 12.240 3.141 -3.255 103 H LYS 18 H LYS 18 16.303 2.923 -4.734 104 HA LYS 18 HA LYS 18 17.225 5.595 -5.022 105 HB2 LYS 18 2HB LYS 18 16.910 3.437 -7.118 106 HB3 LYS 18 3HB LYS 18 17.844 4.916 -7.302 107 HG2 LYS 18 2HG LYS 18 18.483 3.092 -5.040 108 HG3 LYS 18 3HG LYS 18 19.000 2.653 -6.669 109 HD2 LYS 18 2HD LYS 18 19.566 5.354 -5.475 110 HD3 LYS 18 3HD LYS 18 20.649 3.978 -5.250 111 HE2 LYS 18 2HE LYS 18 21.554 4.333 -7.246 112 HE3 LYS 18 3HE LYS 18 19.975 4.179 -8.014 113 HZ1 LYS 18 3HZ LYS 18 20.445 6.712 -6.701 114 HZ2 LYS 18 1HZ LYS 18 19.770 6.386 -8.218 115 HZ3 LYS 18 2HZ LYS 18 21.450 6.413 -8.028 116 H TYR 19 H TYR 19 14.181 4.252 -5.367 117 HA TYR 19 HA TYR 19 13.330 6.196 -7.388 118 HB2 TYR 19 2HB TYR 19 12.230 3.625 -6.364 119 HB3 TYR 19 3HB TYR 19 11.084 4.830 -6.939 120 HD1 TYR 19 HD2 TYR 19 14.078 2.876 -7.947 121 HD2 TYR 19 HD1 TYR 19 10.690 5.104 -9.237 122 HE1 TYR 19 HE2 TYR 19 14.491 2.154 -10.262 123 HE2 TYR 19 HE1 TYR 19 11.093 4.387 -11.555 124 HH TYR 19 HH TYR 19 12.306 3.088 -12.896 125 H GLY 20 H GLY 20 13.784 6.211 -4.190 126 HA2 GLY 20 2HA GLY 20 13.115 7.857 -2.680 127 HA3 GLY 20 3HA GLY 20 11.840 8.326 -3.794 128 H TYR 21 H TYR 21 11.856 5.002 -3.330 129 HA TYR 21 HA TYR 21 9.623 5.235 -1.430 130 HB2 TYR 21 2HB TYR 21 10.252 3.033 -3.407 131 HB3 TYR 21 3HB TYR 21 8.870 3.058 -2.317 132 HD1 TYR 21 HD1 TYR 21 7.976 5.853 -2.545 133 HD2 TYR 21 HD2 TYR 21 9.336 3.159 -5.544 134 HE1 TYR 21 HE1 TYR 21 6.666 7.076 -4.229 135 HE2 TYR 21 HE2 TYR 21 8.031 4.376 -7.237 136 HH TYR 21 HH TYR 21 6.901 6.310 -7.651 137 H CYS 22 H CYS 22 9.651 4.173 0.474 138 HA CYS 22 HA CYS 22 12.148 3.099 1.392 139 HB2 CYS 22 2HB CYS 22 9.457 3.169 2.775 140 HB3 CYS 22 3HB CYS 22 11.007 2.838 3.542 141 H GLY 23 H GLY 23 12.391 0.987 2.394 142 HA2 GLY 23 2HA GLY 23 10.602 -1.124 2.225 143 HA3 GLY 23 3HA GLY 23 11.467 -1.097 0.696 144 H SER 24 H SER 24 12.315 -3.178 1.231 145 HA SER 24 HA SER 24 14.613 -3.004 3.059 146 HB2 SER 24 2HB SER 24 12.690 -4.299 4.064 147 HB3 SER 24 3HB SER 24 12.893 -5.473 2.764 148 HG SER 24 HG SER 24 14.198 -6.301 4.235 149 H GLY 25 H GLY 25 15.781 -5.403 2.661 150 HA2 GLY 25 2HA GLY 25 16.756 -6.829 1.075 151 HA3 GLY 25 3HA GLY 25 15.960 -5.920 -0.201 152 HA PRO 26 HA PRO 26 20.365 -4.644 0.131 153 HB2 PRO 26 2HB PRO 26 21.431 -5.864 -2.070 154 HB3 PRO 26 3HB PRO 26 21.553 -6.528 -0.453 155 HG2 PRO 26 2HG PRO 26 19.818 -7.392 -2.685 156 HG3 PRO 26 3HG PRO 26 20.266 -8.273 -1.238 157 HD2 PRO 26 2HD PRO 26 17.757 -6.982 -1.752 158 HD3 PRO 26 3HD PRO 26 18.248 -7.763 -0.262 159 H ALA 27 H ALA 27 18.055 -4.766 -2.278 160 HA ALA 27 HA ALA 27 19.251 -2.753 -3.949 161 HB1 ALA 27 1HB ALA 27 17.905 -4.105 -5.213 162 HB2 ALA 27 2HB ALA 27 16.688 -4.267 -3.947 163 HB3 ALA 27 3HB ALA 27 16.792 -2.777 -4.884 164 H TYR 28 H TYR 28 17.785 -2.633 -0.985 165 HA TYR 28 HA TYR 28 16.821 0.115 -1.440 166 HB2 TYR 28 2HB TYR 28 15.827 -2.028 0.429 167 HB3 TYR 28 3HB TYR 28 15.454 -0.328 0.691 168 HD1 TYR 28 HD2 TYR 28 15.418 -2.730 -2.182 169 HD2 TYR 28 HD1 TYR 28 13.385 0.342 -0.053 170 HE1 TYR 28 HE2 TYR 28 13.523 -2.912 -3.740 171 HE2 TYR 28 HE1 TYR 28 11.484 0.168 -1.604 172 HH TYR 28 HH TYR 28 10.757 -0.717 -3.534 173 H CYS 29 H CYS 29 18.527 -2.052 0.764 174 HA CYS 29 HA CYS 29 19.408 0.209 2.387 175 HB2 CYS 29 2HB CYS 29 19.799 -2.772 2.713 176 HB3 CYS 29 3HB CYS 29 20.431 -1.563 3.824 177 H GLY 30 H GLY 30 20.542 -1.918 -0.091 178 HA2 GLY 30 2HA GLY 30 23.344 -1.460 0.393 179 HA3 GLY 30 3HA GLY 30 22.642 -2.257 -1.007 Start of MODEL 19 1 H1 ALA 1 H ALA 1 8.494 1.539 3.118 2 HA ALA 1 HA ALA 1 7.851 -0.747 1.581 3 HB1 ALA 1 1HB ALA 1 7.208 -2.291 3.350 4 HB2 ALA 1 2HB ALA 1 8.931 -1.923 3.437 5 HB3 ALA 1 3HB ALA 1 7.809 -1.166 4.568 6 H ALA 2 H ALA 2 6.825 1.764 1.561 7 HA ALA 2 HA ALA 2 4.046 1.260 2.170 8 HB1 ALA 2 1HB ALA 2 4.370 2.190 4.241 9 HB2 ALA 2 2HB ALA 2 5.655 3.262 3.681 10 HB3 ALA 2 3HB ALA 2 3.973 3.626 3.297 11 H GLY 3 H GLY 3 6.142 4.071 1.466 12 HA2 GLY 3 2HA GLY 3 5.048 4.288 -1.202 13 HA3 GLY 3 3HA GLY 3 4.530 5.562 -0.109 14 H GLN 4 H GLN 4 5.592 7.322 -0.791 15 HA GLN 4 HA GLN 4 8.334 7.173 -1.682 16 HB2 GLN 4 2HB GLN 4 6.516 8.705 -2.631 17 HB3 GLN 4 3HB GLN 4 6.757 9.692 -1.196 18 HG2 GLN 4 2HG GLN 4 8.232 10.768 -2.490 19 HG3 GLN 4 3HG GLN 4 9.303 9.442 -2.036 20 HE21 GLN 4 1HE2 GLN 4 6.895 10.350 -4.467 21 HE22 GLN 4 2HE2 GLN 4 7.675 9.557 -5.789 22 H CYS 5 H CYS 5 10.117 8.132 -0.701 23 HA CYS 5 HA CYS 5 10.167 8.030 2.132 24 HB2 CYS 5 2HB CYS 5 12.227 9.244 0.279 25 HB3 CYS 5 3HB CYS 5 12.488 8.716 1.938 26 H TYR 6 H TYR 6 11.435 10.002 3.237 27 HA TYR 6 HA TYR 6 10.045 12.491 2.517 28 HB2 TYR 6 2HB TYR 6 8.853 11.428 4.391 29 HB3 TYR 6 3HB TYR 6 10.348 11.390 5.319 30 HD1 TYR 6 HD1 TYR 6 7.689 13.544 3.985 31 HD2 TYR 6 HD2 TYR 6 11.220 13.388 6.355 32 HE1 TYR 6 HE1 TYR 6 7.191 15.786 4.864 33 HE2 TYR 6 HE2 TYR 6 10.730 15.630 7.241 34 HH TYR 6 HH TYR 6 8.012 17.530 6.032 35 H ARG 7 H ARG 7 11.493 14.011 2.104 36 HA ARG 7 HA ARG 7 13.472 15.148 2.026 37 HB2 ARG 7 2HB ARG 7 12.411 15.686 4.325 38 HB3 ARG 7 3HB ARG 7 13.677 14.658 4.983 39 HG2 ARG 7 2HG ARG 7 15.337 16.143 4.487 40 HG3 ARG 7 3HG ARG 7 14.461 16.835 3.120 41 HD2 ARG 7 2HD ARG 7 13.117 17.237 5.676 42 HD3 ARG 7 3HD ARG 7 14.721 17.966 5.614 43 HE ARG 7 HE ARG 7 12.384 18.869 4.267 44 HH11 ARG 7 1HH1 ARG 7 15.845 18.624 3.975 45 HH12 ARG 7 2HH1 ARG 7 15.982 19.986 2.912 46 HH21 ARG 7 1HH2 ARG 7 12.552 20.663 2.868 47 HH22 ARG 7 2HH2 ARG 7 14.109 21.145 2.284 48 H GLY 8 H GLY 8 13.676 12.293 1.609 49 HA2 GLY 8 2HA GLY 8 15.434 10.862 1.160 50 HA3 GLY 8 3HA GLY 8 16.522 12.042 1.874 51 H ARG 9 H ARG 9 13.731 10.611 3.473 52 HA ARG 9 HA ARG 9 15.405 8.803 5.007 53 HB2 ARG 9 2HB ARG 9 14.252 11.318 6.099 54 HB3 ARG 9 3HB ARG 9 14.172 9.886 7.117 55 HG2 ARG 9 2HG ARG 9 16.709 10.929 5.882 56 HG3 ARG 9 3HG ARG 9 16.159 11.330 7.510 57 HD2 ARG 9 2HD ARG 9 16.314 8.460 6.760 58 HD3 ARG 9 3HD ARG 9 17.828 9.321 7.035 59 HE ARG 9 HE ARG 9 16.300 9.945 9.203 60 HH11 ARG 9 1HH1 ARG 9 17.337 6.975 7.711 61 HH12 ARG 9 2HH1 ARG 9 17.353 6.082 9.195 62 HH21 ARG 9 1HH2 ARG 9 16.319 8.780 11.164 63 HH22 ARG 9 2HH2 ARG 9 16.773 7.110 11.159 64 H CYS 10 H CYS 10 14.317 7.026 5.644 65 HA CYS 10 HA CYS 10 11.417 6.990 5.152 66 HB2 CYS 10 2HB CYS 10 13.506 4.816 5.061 67 HB3 CYS 10 3HB CYS 10 11.781 4.464 5.078 68 H SER 11 H SER 11 10.534 4.888 6.494 69 HA SER 11 HA SER 11 10.379 5.789 9.160 70 HB2 SER 11 2HB SER 11 8.585 4.499 8.039 71 HB3 SER 11 3HB SER 11 9.622 3.073 8.056 72 HG SER 11 HG SER 11 8.279 4.332 10.154 73 H GLY 12 H GLY 12 11.025 4.685 11.104 74 HA2 GLY 12 2HA GLY 12 13.740 3.995 11.161 75 HA3 GLY 12 3HA GLY 12 12.596 3.714 12.465 76 H GLY 13 H GLY 13 14.291 2.326 9.784 77 HA2 GLY 13 2HA GLY 13 14.798 -0.112 10.332 78 HA3 GLY 13 3HA GLY 13 13.050 -0.290 10.351 79 H LEU 14 H LEU 14 12.833 1.676 8.095 80 HA LEU 14 HA LEU 14 13.306 -0.267 5.967 81 HB2 LEU 14 2HB LEU 14 11.637 2.223 6.163 82 HB3 LEU 14 3HB LEU 14 11.926 1.406 4.628 83 HG LEU 14 HG LEU 14 10.679 0.021 6.992 84 HD11 LEU 14 1HD1 LEU 14 8.545 0.395 5.578 85 HD12 LEU 14 2HD1 LEU 14 9.436 1.756 4.898 86 HD13 LEU 14 3HD1 LEU 14 9.117 1.689 6.631 87 HD21 LEU 14 3HD2 LEU 14 11.713 -1.279 5.079 88 HD22 LEU 14 1HD2 LEU 14 10.445 -0.599 4.058 89 HD23 LEU 14 2HD2 LEU 14 10.018 -1.621 5.431 90 H CYS 15 H CYS 15 13.828 0.812 3.761 91 HA CYS 15 HA CYS 15 15.912 2.857 4.117 92 HB2 CYS 15 2HB CYS 15 16.122 0.257 2.597 93 HB3 CYS 15 3HB CYS 15 17.226 1.604 2.339 94 H CYS 16 H CYS 16 16.266 4.230 2.349 95 HA CYS 16 HA CYS 16 13.950 4.567 0.649 96 HB2 CYS 16 2HB CYS 16 15.334 6.418 1.842 97 HB3 CYS 16 3HB CYS 16 16.438 6.240 0.483 98 H SER 17 H SER 17 13.768 3.886 -1.380 99 HA SER 17 HA SER 17 15.976 2.509 -2.630 100 HB2 SER 17 2HB SER 17 14.408 1.665 -4.162 101 HB3 SER 17 3HB SER 17 13.482 1.821 -2.669 102 HG SER 17 HG SER 17 12.227 3.161 -3.669 103 H LYS 18 H LYS 18 16.331 2.894 -5.040 104 HA LYS 18 HA LYS 18 17.256 5.558 -5.389 105 HB2 LYS 18 2HB LYS 18 18.391 3.612 -6.380 106 HB3 LYS 18 3HB LYS 18 16.997 3.327 -7.414 107 HG2 LYS 18 2HG LYS 18 17.537 4.994 -8.836 108 HG3 LYS 18 3HG LYS 18 18.200 6.017 -7.560 109 HD2 LYS 18 2HD LYS 18 19.658 3.519 -8.248 110 HD3 LYS 18 3HD LYS 18 19.748 4.870 -9.380 111 HE2 LYS 18 2HE LYS 18 21.436 5.585 -8.094 112 HE3 LYS 18 3HE LYS 18 20.172 6.106 -6.981 113 HZ1 LYS 18 3HZ LYS 18 20.428 4.161 -5.701 114 HZ2 LYS 18 1HZ LYS 18 21.997 4.724 -5.993 115 HZ3 LYS 18 2HZ LYS 18 21.393 3.409 -6.869 116 H TYR 19 H TYR 19 14.222 4.199 -5.763 117 HA TYR 19 HA TYR 19 13.418 6.079 -7.863 118 HB2 TYR 19 2HB TYR 19 12.293 3.539 -6.788 119 HB3 TYR 19 3HB TYR 19 11.166 4.723 -7.440 120 HD1 TYR 19 HD2 TYR 19 11.174 5.274 -9.813 121 HD2 TYR 19 HD1 TYR 19 13.864 2.382 -8.229 122 HE1 TYR 19 HE2 TYR 19 11.650 4.478 -12.091 123 HE2 TYR 19 HE1 TYR 19 14.349 1.579 -10.502 124 HH TYR 19 HH TYR 19 13.039 1.613 -12.785 125 H GLY 20 H GLY 20 13.807 6.214 -4.668 126 HA2 GLY 20 2HA GLY 20 13.090 7.886 -3.216 127 HA3 GLY 20 3HA GLY 20 11.851 8.330 -4.380 128 H TYR 21 H TYR 21 11.851 5.017 -3.813 129 HA TYR 21 HA TYR 21 9.557 5.308 -1.995 130 HB2 TYR 21 2HB TYR 21 10.244 3.047 -3.884 131 HB3 TYR 21 3HB TYR 21 8.828 3.108 -2.841 132 HD1 TYR 21 HD2 TYR 21 7.810 5.786 -3.157 133 HD2 TYR 21 HD1 TYR 21 9.540 3.222 -6.079 134 HE1 TYR 21 HE2 TYR 21 6.558 6.959 -4.920 135 HE2 TYR 21 HE1 TYR 21 8.294 4.389 -7.850 136 HH TYR 21 HH TYR 21 7.201 6.474 -8.263 137 H CYS 22 H CYS 22 9.493 4.252 -0.079 138 HA CYS 22 HA CYS 22 11.962 3.247 0.977 139 HB2 CYS 22 2HB CYS 22 9.206 3.260 2.227 140 HB3 CYS 22 3HB CYS 22 10.728 2.993 3.071 141 H GLY 23 H GLY 23 12.212 1.153 2.009 142 HA2 GLY 23 2HA GLY 23 10.488 -1.004 1.799 143 HA3 GLY 23 3HA GLY 23 11.403 -0.972 0.299 144 H SER 24 H SER 24 12.253 -3.042 0.920 145 HA SER 24 HA SER 24 14.509 -2.780 2.789 146 HB2 SER 24 2HB SER 24 12.587 -4.069 3.797 147 HB3 SER 24 3HB SER 24 12.825 -5.279 2.536 148 HG SER 24 HG SER 24 14.596 -4.527 4.608 149 H GLY 25 H GLY 25 15.720 -5.169 2.490 150 HA2 GLY 25 2HA GLY 25 16.729 -6.639 0.959 151 HA3 GLY 25 3HA GLY 25 15.974 -5.752 -0.357 152 HA PRO 26 HA PRO 26 20.369 -4.473 0.093 153 HB2 PRO 26 2HB PRO 26 21.507 -5.740 -2.043 154 HB3 PRO 26 3HB PRO 26 21.575 -6.369 -0.409 155 HG2 PRO 26 2HG PRO 26 19.914 -7.281 -2.678 156 HG3 PRO 26 3HG PRO 26 20.314 -8.131 -1.199 157 HD2 PRO 26 2HD PRO 26 17.824 -6.852 -1.825 158 HD3 PRO 26 3HD PRO 26 18.264 -7.600 -0.303 159 H ALA 27 H ALA 27 18.148 -4.656 -2.398 160 HA ALA 27 HA ALA 27 19.400 -2.663 -4.056 161 HB1 ALA 27 1HB ALA 27 17.183 -2.742 -5.270 162 HB2 ALA 27 2HB ALA 27 18.085 -4.257 -5.200 163 HB3 ALA 27 3HB ALA 27 16.708 -4.000 -4.129 164 H TYR 28 H TYR 28 17.818 -2.500 -1.161 165 HA TYR 28 HA TYR 28 16.818 0.217 -1.717 166 HB2 TYR 28 2HB TYR 28 15.812 -1.901 0.172 167 HB3 TYR 28 3HB TYR 28 15.402 -0.203 0.389 168 HD1 TYR 28 HD1 TYR 28 15.497 -2.649 -2.446 169 HD2 TYR 28 HD2 TYR 28 13.336 0.403 -0.416 170 HE1 TYR 28 HE1 TYR 28 13.650 -2.898 -4.051 171 HE2 TYR 28 HE2 TYR 28 11.483 0.161 -2.015 172 HH TYR 28 HH TYR 28 11.689 -2.102 -4.740 173 H CYS 29 H CYS 29 18.495 -1.854 0.600 174 HA CYS 29 HA CYS 29 19.296 0.477 2.168 175 HB2 CYS 29 2HB CYS 29 19.585 -2.494 2.620 176 HB3 CYS 29 3HB CYS 29 20.336 -1.291 3.664 177 H GLY 30 H GLY 30 20.526 -1.739 -0.181 178 HA2 GLY 30 2HA GLY 30 22.471 -1.494 -1.438 179 HA3 GLY 30 3HA GLY 30 22.992 -0.226 -0.339 Start of MODEL 20 1 H1 ALA 1 H ALA 1 4.060 5.176 5.280 2 HA ALA 1 HA ALA 1 6.741 5.831 4.779 3 HB1 ALA 1 1HB ALA 1 5.417 3.697 6.413 4 HB2 ALA 1 2HB ALA 1 7.173 3.774 6.266 5 HB3 ALA 1 3HB ALA 1 6.286 5.135 6.952 6 H ALA 2 H ALA 2 4.905 2.883 4.005 7 HA ALA 2 HA ALA 2 7.040 1.520 2.761 8 HB1 ALA 2 1HB ALA 2 5.322 0.042 1.850 9 HB2 ALA 2 2HB ALA 2 5.042 0.372 3.560 10 HB3 ALA 2 3HB ALA 2 4.073 1.189 2.333 11 H GLY 3 H GLY 3 4.887 4.006 1.663 12 HA2 GLY 3 2HA GLY 3 5.327 3.532 -1.145 13 HA3 GLY 3 3HA GLY 3 4.516 4.919 -0.434 14 H GLN 4 H GLN 4 5.498 6.656 -1.255 15 HA GLN 4 HA GLN 4 8.262 6.727 -1.933 16 HB2 GLN 4 2HB GLN 4 6.750 8.115 -3.167 17 HB3 GLN 4 3HB GLN 4 6.171 8.891 -1.699 18 HG2 GLN 4 2HG GLN 4 8.181 10.082 -1.413 19 HG3 GLN 4 3HG GLN 4 9.023 9.095 -2.606 20 HE21 GLN 4 1HE2 GLN 4 9.056 11.841 -2.726 21 HE22 GLN 4 2HE2 GLN 4 8.162 12.367 -4.108 22 H CYS 5 H CYS 5 9.970 7.739 -0.917 23 HA CYS 5 HA CYS 5 9.932 7.761 1.916 24 HB2 CYS 5 2HB CYS 5 12.017 8.976 0.094 25 HB3 CYS 5 3HB CYS 5 12.237 8.486 1.771 26 H TYR 6 H TYR 6 11.069 9.802 3.001 27 HA TYR 6 HA TYR 6 9.665 12.227 2.109 28 HB2 TYR 6 2HB TYR 6 8.591 10.933 4.095 29 HB3 TYR 6 3HB TYR 6 9.931 11.586 5.031 30 HD1 TYR 6 HD1 TYR 6 7.095 12.596 2.846 31 HD2 TYR 6 HD2 TYR 6 9.819 13.754 5.902 32 HE1 TYR 6 HE1 TYR 6 5.849 14.693 3.153 33 HE2 TYR 6 HE2 TYR 6 8.580 15.855 6.218 34 HH TYR 6 HH TYR 6 6.734 17.218 4.227 35 H ARG 7 H ARG 7 11.114 13.747 1.699 36 HA ARG 7 HA ARG 7 13.072 14.922 1.685 37 HB2 ARG 7 2HB ARG 7 11.855 15.562 3.875 38 HB3 ARG 7 3HB ARG 7 13.086 14.592 4.673 39 HG2 ARG 7 2HG ARG 7 14.688 16.113 3.200 40 HG3 ARG 7 3HG ARG 7 13.313 17.213 3.317 41 HD2 ARG 7 2HD ARG 7 13.377 16.799 5.817 42 HD3 ARG 7 3HD ARG 7 14.935 16.019 5.551 43 HE ARG 7 HE ARG 7 14.977 18.558 4.360 44 HH11 ARG 7 1HH1 ARG 7 14.882 17.084 7.513 45 HH12 ARG 7 2HH1 ARG 7 15.697 18.398 8.295 46 HH21 ARG 7 1HH2 ARG 7 16.050 20.294 5.379 47 HH22 ARG 7 2HH2 ARG 7 16.360 20.224 7.080 48 H GLY 8 H GLY 8 13.370 12.067 1.415 49 HA2 GLY 8 2HA GLY 8 15.180 10.655 1.162 50 HA3 GLY 8 3HA GLY 8 16.193 11.892 1.891 51 H ARG 9 H ARG 9 13.327 10.485 3.370 52 HA ARG 9 HA ARG 9 14.971 8.855 5.144 53 HB2 ARG 9 2HB ARG 9 13.230 11.142 6.046 54 HB3 ARG 9 3HB ARG 9 13.659 9.818 7.120 55 HG2 ARG 9 2HG ARG 9 16.096 10.398 6.422 56 HG3 ARG 9 3HG ARG 9 15.391 11.946 5.952 57 HD2 ARG 9 2HD ARG 9 15.692 12.547 8.083 58 HD3 ARG 9 3HD ARG 9 14.307 11.514 8.437 59 HE ARG 9 HE ARG 9 15.723 10.094 9.516 60 HH11 ARG 9 1HH1 ARG 9 17.582 12.044 7.312 61 HH12 ARG 9 2HH1 ARG 9 19.108 11.414 7.836 62 HH21 ARG 9 1HH2 ARG 9 17.726 9.256 10.215 63 HH22 ARG 9 2HH2 ARG 9 19.189 9.827 9.487 64 H CYS 10 H CYS 10 13.988 7.010 5.756 65 HA CYS 10 HA CYS 10 11.157 6.690 5.007 66 HB2 CYS 10 2HB CYS 10 13.442 4.721 5.037 67 HB3 CYS 10 3HB CYS 10 11.760 4.211 4.934 68 H SER 11 H SER 11 10.400 4.489 6.272 69 HA SER 11 HA SER 11 9.981 5.335 8.927 70 HB2 SER 11 2HB SER 11 8.264 3.977 8.195 71 HB3 SER 11 3HB SER 11 9.354 2.867 7.364 72 HG SER 11 HG SER 11 9.429 1.701 9.102 73 H GLY 12 H GLY 12 10.560 4.183 10.898 74 HA2 GLY 12 2HA GLY 12 13.336 3.802 11.141 75 HA3 GLY 12 3HA GLY 12 12.139 3.381 12.357 76 H GLY 13 H GLY 13 14.112 2.227 9.744 77 HA2 GLY 13 2HA GLY 13 14.880 -0.133 10.235 78 HA3 GLY 13 3HA GLY 13 13.165 -0.519 10.275 79 H LEU 14 H LEU 14 12.859 1.539 8.016 80 HA LEU 14 HA LEU 14 13.365 -0.385 5.878 81 HB2 LEU 14 2HB LEU 14 11.662 2.078 6.095 82 HB3 LEU 14 3HB LEU 14 11.979 1.300 4.546 83 HG LEU 14 HG LEU 14 10.592 0.028 6.906 84 HD11 LEU 14 1HD1 LEU 14 8.739 0.980 6.155 85 HD12 LEU 14 2HD1 LEU 14 8.959 0.158 4.610 86 HD13 LEU 14 3HD1 LEU 14 9.638 1.767 4.857 87 HD21 LEU 14 3HD2 LEU 14 10.037 -1.715 5.158 88 HD22 LEU 14 1HD2 LEU 14 11.706 -1.689 5.728 89 HD23 LEU 14 2HD2 LEU 14 11.298 -0.985 4.163 90 H CYS 15 H CYS 15 13.871 0.731 3.677 91 HA CYS 15 HA CYS 15 15.901 2.823 4.039 92 HB2 CYS 15 2HB CYS 15 16.266 0.248 2.493 93 HB3 CYS 15 3HB CYS 15 17.380 1.611 2.439 94 H CYS 16 H CYS 16 16.160 4.227 2.318 95 HA CYS 16 HA CYS 16 13.918 4.389 0.515 96 HB2 CYS 16 2HB CYS 16 15.206 6.324 1.713 97 HB3 CYS 16 3HB CYS 16 16.317 6.184 0.355 98 H SER 17 H SER 17 13.833 3.664 -1.505 99 HA SER 17 HA SER 17 16.142 2.367 -2.657 100 HB2 SER 17 2HB SER 17 14.663 1.426 -4.223 101 HB3 SER 17 3HB SER 17 13.689 1.557 -2.759 102 HG SER 17 HG SER 17 12.399 2.820 -3.812 103 H LYS 18 H LYS 18 16.540 2.720 -5.070 104 HA LYS 18 HA LYS 18 17.364 5.413 -5.445 105 HB2 LYS 18 2HB LYS 18 18.330 3.162 -6.400 106 HB3 LYS 18 3HB LYS 18 17.202 3.467 -7.714 107 HG2 LYS 18 2HG LYS 18 18.398 5.203 -8.523 108 HG3 LYS 18 3HG LYS 18 18.934 5.723 -6.924 109 HD2 LYS 18 2HD LYS 18 20.865 4.640 -7.155 110 HD3 LYS 18 3HD LYS 18 20.030 3.139 -7.563 111 HE2 LYS 18 2HE LYS 18 21.164 3.459 -9.510 112 HE3 LYS 18 3HE LYS 18 19.713 4.390 -9.880 113 HZ1 LYS 18 3HZ LYS 18 22.206 5.557 -8.769 114 HZ2 LYS 18 1HZ LYS 18 20.841 6.401 -9.303 115 HZ3 LYS 18 2HZ LYS 18 21.802 5.561 -10.412 116 H TYR 19 H TYR 19 14.399 3.922 -5.871 117 HA TYR 19 HA TYR 19 13.573 5.728 -8.026 118 HB2 TYR 19 2HB TYR 19 12.530 3.163 -6.931 119 HB3 TYR 19 3HB TYR 19 11.366 4.288 -7.621 120 HD1 TYR 19 HD1 TYR 19 12.148 5.286 -9.987 121 HD2 TYR 19 HD2 TYR 19 13.416 1.573 -8.342 122 HE1 TYR 19 HE1 TYR 19 12.701 4.481 -12.245 123 HE2 TYR 19 HE2 TYR 19 13.974 0.759 -10.594 124 HH TYR 19 HH TYR 19 13.978 1.206 -12.765 125 H GLY 20 H GLY 20 13.862 5.917 -4.815 126 HA2 GLY 20 2HA GLY 20 13.048 7.598 -3.420 127 HA3 GLY 20 3HA GLY 20 11.817 7.963 -4.621 128 H TYR 21 H TYR 21 11.958 4.665 -3.973 129 HA TYR 21 HA TYR 21 9.616 4.894 -2.206 130 HB2 TYR 21 2HB TYR 21 10.422 2.639 -4.056 131 HB3 TYR 21 3HB TYR 21 8.992 2.649 -3.029 132 HD1 TYR 21 HD1 TYR 21 7.620 5.025 -3.367 133 HD2 TYR 21 HD2 TYR 21 9.975 3.007 -6.280 134 HE1 TYR 21 HE1 TYR 21 6.337 6.123 -5.156 135 HE2 TYR 21 HE2 TYR 21 8.699 4.100 -8.077 136 HH TYR 21 HH TYR 21 7.234 6.522 -8.083 137 H CYS 22 H CYS 22 9.589 3.916 -0.258 138 HA CYS 22 HA CYS 22 12.076 2.979 0.823 139 HB2 CYS 22 2HB CYS 22 9.326 2.984 2.085 140 HB3 CYS 22 3HB CYS 22 10.859 2.786 2.928 141 H GLY 23 H GLY 23 12.369 0.922 1.901 142 HA2 GLY 23 2HA GLY 23 10.660 -1.262 1.755 143 HA3 GLY 23 3HA GLY 23 11.595 -1.266 0.267 144 H SER 24 H SER 24 12.495 -3.286 0.928 145 HA SER 24 HA SER 24 14.689 -2.949 2.859 146 HB2 SER 24 2HB SER 24 12.771 -4.291 3.810 147 HB3 SER 24 3HB SER 24 13.090 -5.499 2.565 148 HG SER 24 HG SER 24 14.200 -5.423 4.873 149 H GLY 25 H GLY 25 15.978 -5.303 2.608 150 HA2 GLY 25 2HA GLY 25 17.089 -6.741 1.125 151 HA3 GLY 25 3HA GLY 25 16.330 -5.905 -0.221 152 HA PRO 26 HA PRO 26 20.658 -4.442 0.308 153 HB2 PRO 26 2HB PRO 26 21.896 -5.693 -1.783 154 HB3 PRO 26 3HB PRO 26 21.950 -6.295 -0.138 155 HG2 PRO 26 2HG PRO 26 20.381 -7.306 -2.430 156 HG3 PRO 26 3HG PRO 26 20.780 -8.118 -0.929 157 HD2 PRO 26 2HD PRO 26 18.256 -6.949 -1.630 158 HD3 PRO 26 3HD PRO 26 18.690 -7.658 -0.087 159 H ALA 27 H ALA 27 18.497 -4.743 -2.221 160 HA ALA 27 HA ALA 27 19.707 -2.737 -3.891 161 HB1 ALA 27 1HB ALA 27 17.693 -2.957 -5.257 162 HB2 ALA 27 2HB ALA 27 18.384 -4.535 -4.873 163 HB3 ALA 27 3HB ALA 27 16.955 -3.964 -4.011 164 H TYR 28 H TYR 28 18.066 -2.582 -1.025 165 HA TYR 28 HA TYR 28 17.003 0.098 -1.637 166 HB2 TYR 28 2HB TYR 28 16.011 -2.022 0.257 167 HB3 TYR 28 3HB TYR 28 15.547 -0.334 0.436 168 HD1 TYR 28 HD1 TYR 28 15.779 -2.825 -2.351 169 HD2 TYR 28 HD2 TYR 28 13.489 0.206 -0.434 170 HE1 TYR 28 HE1 TYR 28 13.980 -3.151 -3.997 171 HE2 TYR 28 HE2 TYR 28 11.684 -0.112 -2.074 172 HH TYR 28 HH TYR 28 10.925 -1.375 -3.755 173 H CYS 29 H CYS 29 18.680 -1.900 0.743 174 HA CYS 29 HA CYS 29 19.375 0.467 2.307 175 HB2 CYS 29 2HB CYS 29 19.794 -2.486 2.791 176 HB3 CYS 29 3HB CYS 29 20.414 -1.230 3.858 177 H GLY 30 H GLY 30 20.727 -1.723 0.001 178 HA2 GLY 30 2HA GLY 30 22.691 -1.425 -1.216 179 HA3 GLY 30 3HA GLY 30 23.144 -0.129 -0.118
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