NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
642372 | 6ct1 | 30441 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 1 HT1 PRO 1 -15.409 -0.768 -5.299 2 H3 PRO 1 HT2 PRO 1 -16.540 0.187 -5.969 3 HA PRO 1 HA PRO 1 -14.541 1.416 -5.702 4 HB2 PRO 1 HB2 PRO 1 -15.489 2.854 -3.551 5 HB3 PRO 1 HB1 PRO 1 -16.001 3.082 -5.229 6 HG2 PRO 1 HG2 PRO 1 -17.336 1.555 -3.036 7 HG3 PRO 1 HG1 PRO 1 -18.065 2.509 -4.340 8 HD2 PRO 1 HD2 PRO 1 -18.091 -0.150 -4.407 9 HD3 PRO 1 HD1 PRO 1 -17.908 0.819 -5.848 10 H MET 2 HN MET 2 -12.601 1.603 -4.656 11 HA MET 2 HA MET 2 -12.108 -0.235 -2.512 12 HB2 MET 2 HB2 MET 2 -10.309 1.764 -3.891 13 HB3 MET 2 HB1 MET 2 -9.769 0.646 -2.652 14 HG2 MET 2 HG2 MET 2 -10.918 -0.108 -5.329 15 HG3 MET 2 HG1 MET 2 -9.210 -0.130 -4.896 16 HE1 MET 2 HE1 MET 2 -8.916 -2.622 -5.657 17 HE2 MET 2 HE2 MET 2 -10.596 -2.629 -6.193 18 HE3 MET 2 HE3 MET 2 -9.990 -3.936 -5.176 19 H ALA 3 HN ALA 3 -12.554 0.241 -0.517 20 HA ALA 3 HA ALA 3 -11.971 2.946 0.486 21 HB1 ALA 3 HB1 ALA 3 -14.402 2.786 0.154 22 HB2 ALA 3 HB2 ALA 3 -13.994 2.914 1.866 23 HB3 ALA 3 HB3 ALA 3 -14.443 1.353 1.182 24 H ARG 4 HN ARG 4 -12.751 -0.386 1.341 25 HA ARG 4 HA ARG 4 -11.524 -0.284 3.932 26 HB2 ARG 4 HB2 ARG 4 -12.351 -2.647 2.215 27 HB3 ARG 4 HB1 ARG 4 -11.895 -2.736 3.908 28 HG2 ARG 4 HG2 ARG 4 -13.821 -1.439 4.550 29 HG3 ARG 4 HG1 ARG 4 -14.249 -1.176 2.860 30 HD2 ARG 4 HD2 ARG 4 -15.626 -2.920 3.882 31 HD3 ARG 4 HD1 ARG 4 -14.637 -3.569 2.575 32 HE ARG 4 HE ARG 4 -13.235 -3.890 4.943 33 HH11 ARG 4 HH11 ARG 4 -16.291 -5.086 3.596 34 HH12 ARG 4 HH12 ARG 4 -16.188 -6.613 4.330 35 HH21 ARG 4 HH21 ARG 4 -13.098 -6.011 5.980 36 HH22 ARG 4 HH22 ARG 4 -14.331 -7.147 5.724 37 H ASN 5 HN ASN 5 -10.683 -1.145 0.733 38 HA ASN 5 HA ASN 5 -7.914 -1.763 1.464 39 HB2 ASN 5 HB2 ASN 5 -9.132 -3.398 0.011 40 HB3 ASN 5 HB1 ASN 5 -9.420 -2.114 -1.148 41 HD21 ASN 5 HD21 ASN 5 -8.039 -4.676 -1.401 42 HD22 ASN 5 HD22 ASN 5 -6.465 -4.332 -1.989 43 H LYS 6 HN LYS 6 -6.646 -0.014 1.338 44 HA LYS 6 HA LYS 6 -7.393 2.111 -0.495 45 HB2 LYS 6 HB2 LYS 6 -5.580 2.166 1.908 46 HB3 LYS 6 HB1 LYS 6 -6.176 3.552 1.005 47 HG2 LYS 6 HG2 LYS 6 -8.441 3.089 1.722 48 HG3 LYS 6 HG1 LYS 6 -7.895 1.638 2.561 49 HD2 LYS 6 HD2 LYS 6 -6.518 2.976 4.018 50 HD3 LYS 6 HD1 LYS 6 -6.997 4.415 3.113 51 HE2 LYS 6 HE2 LYS 6 -8.816 2.619 4.730 52 HE3 LYS 6 HE1 LYS 6 -8.277 4.231 5.201 53 HZ1 LYS 6 HZ1 LYS 6 -10.091 3.498 2.974 54 HZ2 LYS 6 HZ2 LYS 6 -9.398 5.027 3.123 55 HZ3 LYS 6 HZ3 LYS 6 -10.444 4.468 4.313 56 HA PRO 7 HA PRO 7 -3.832 -0.223 -2.327 57 HB2 PRO 7 HB2 PRO 7 -4.151 0.826 -4.855 58 HB3 PRO 7 HB1 PRO 7 -4.959 -0.629 -4.267 59 HG2 PRO 7 HG2 PRO 7 -5.994 2.163 -4.458 60 HG3 PRO 7 HG1 PRO 7 -6.818 0.635 -4.815 61 HD2 PRO 7 HD2 PRO 7 -7.262 1.971 -2.544 62 HD3 PRO 7 HD1 PRO 7 -7.239 0.197 -2.580 63 H LYS 8 HN LYS 8 -4.582 3.169 -2.669 64 HA LYS 8 HA LYS 8 -2.106 4.014 -3.726 65 HB2 LYS 8 HB2 LYS 8 -3.990 5.609 -1.984 66 HB3 LYS 8 HB1 LYS 8 -2.726 6.258 -3.008 67 HG2 LYS 8 HG2 LYS 8 -5.149 4.768 -3.990 68 HG3 LYS 8 HG1 LYS 8 -4.951 6.521 -3.970 69 HD2 LYS 8 HD2 LYS 8 -3.069 6.338 -5.496 70 HD3 LYS 8 HD1 LYS 8 -3.215 4.578 -5.486 71 HE2 LYS 8 HE2 LYS 8 -4.260 5.525 -7.479 72 HE3 LYS 8 HE1 LYS 8 -5.445 4.747 -6.437 73 HZ1 LYS 8 HZ1 LYS 8 -6.120 6.926 -5.618 74 HZ2 LYS 8 HZ2 LYS 8 -6.247 6.884 -7.286 75 HZ3 LYS 8 HZ3 LYS 8 -4.954 7.676 -6.562 76 H ILE 9 HN ILE 9 -3.373 3.955 -0.452 77 HA ILE 9 HA ILE 9 -0.946 4.985 0.687 78 HB ILE 9 HB ILE 9 -3.360 3.784 2.081 79 HG12 ILE 9 HG12 ILE 9 -2.706 6.687 1.496 80 HG13 ILE 9 HG11 ILE 9 -3.920 5.734 0.655 81 HG21 ILE 9 HG21 ILE 9 -1.381 3.836 3.516 82 HG22 ILE 9 HG22 ILE 9 -2.557 5.040 4.048 83 HG23 ILE 9 HG23 ILE 9 -1.135 5.542 3.139 84 HD11 ILE 9 HD11 ILE 9 -5.179 5.518 2.739 85 HD12 ILE 9 HD12 ILE 9 -4.929 7.207 2.298 86 HD13 ILE 9 HD13 ILE 9 -3.954 6.472 3.572 87 H LEU 10 HN LEU 10 -2.624 1.842 0.609 88 HA LEU 10 HA LEU 10 -0.932 0.499 2.347 89 HB2 LEU 10 HB2 LEU 10 -3.235 -0.179 1.648 90 HB3 LEU 10 HB1 LEU 10 -2.598 -0.628 0.091 91 HG LEU 10 HG LEU 10 -3.117 -2.514 1.628 92 HD11 LEU 10 HD11 LEU 10 -0.235 -2.345 0.776 93 HD12 LEU 10 HD12 LEU 10 -1.590 -2.894 -0.209 94 HD13 LEU 10 HD13 LEU 10 -1.095 -3.822 1.208 95 HD21 LEU 10 HD21 LEU 10 -1.583 -3.042 3.454 96 HD22 LEU 10 HD22 LEU 10 -2.415 -1.510 3.728 97 HD23 LEU 10 HD23 LEU 10 -0.737 -1.521 3.184 98 H LYS 11 HN LYS 11 -0.898 0.562 -1.274 99 HA LYS 11 HA LYS 11 1.373 -1.094 -1.288 100 HB2 LYS 11 HB2 LYS 11 -0.021 -1.110 -3.262 101 HB3 LYS 11 HB1 LYS 11 0.240 0.605 -3.522 102 HG2 LYS 11 HG2 LYS 11 1.546 -0.780 -5.096 103 HG3 LYS 11 HG1 LYS 11 2.576 0.212 -4.068 104 HD2 LYS 11 HD2 LYS 11 2.923 -1.804 -2.601 105 HD3 LYS 11 HD1 LYS 11 2.035 -2.753 -3.796 106 HE2 LYS 11 HE2 LYS 11 3.690 -2.201 -5.495 107 HE3 LYS 11 HE1 LYS 11 4.542 -1.173 -4.348 108 HZ1 LYS 11 HZ1 LYS 11 5.602 -3.323 -4.617 109 HZ2 LYS 11 HZ2 LYS 11 4.226 -4.121 -4.130 110 HZ3 LYS 11 HZ3 LYS 11 5.085 -3.153 -3.030 111 H ARG 12 HN ARG 12 1.048 2.373 -1.064 112 HA ARG 12 HA ARG 12 3.744 2.893 -1.700 113 HB2 ARG 12 HB2 ARG 12 1.735 4.440 -0.118 114 HB3 ARG 12 HB1 ARG 12 3.403 4.979 -0.233 115 HG2 ARG 12 HG2 ARG 12 3.193 5.054 -2.673 116 HG3 ARG 12 HG1 ARG 12 1.513 4.537 -2.522 117 HD2 ARG 12 HD2 ARG 12 1.722 6.960 -2.807 118 HD3 ARG 12 HD1 ARG 12 0.971 6.525 -1.271 119 HE ARG 12 HE ARG 12 3.681 6.776 -0.800 120 HH11 ARG 12 HH11 ARG 12 1.076 8.905 -1.875 121 HH12 ARG 12 HH12 ARG 12 1.741 10.301 -1.147 122 HH21 ARG 12 HH21 ARG 12 4.593 8.672 0.177 123 HH22 ARG 12 HH22 ARG 12 3.791 10.167 0.036 124 H ILE 13 HN ILE 13 2.191 2.520 1.473 125 HA ILE 13 HA ILE 13 4.558 2.626 3.002 126 HB ILE 13 HB ILE 13 1.975 1.131 3.580 127 HG12 ILE 13 HG12 ILE 13 1.630 3.544 3.311 128 HG13 ILE 13 HG11 ILE 13 1.383 3.062 4.983 129 HG21 ILE 13 HG21 ILE 13 4.192 1.852 5.494 130 HG22 ILE 13 HG22 ILE 13 3.766 0.231 4.950 131 HG23 ILE 13 HG23 ILE 13 2.635 1.152 5.942 132 HD11 ILE 13 HD11 ILE 13 3.625 3.917 5.535 133 HD12 ILE 13 HD12 ILE 13 2.571 5.162 4.871 134 HD13 ILE 13 HD13 ILE 13 3.823 4.442 3.861 135 H LEU 14 HN LEU 14 2.876 -0.045 1.466 136 HA LEU 14 HA LEU 14 4.590 -2.067 2.375 137 HB2 LEU 14 HB2 LEU 14 2.356 -2.516 1.487 138 HB3 LEU 14 HB1 LEU 14 2.868 -1.966 -0.092 139 HG LEU 14 HG LEU 14 4.435 -3.867 -0.234 140 HD11 LEU 14 HD11 LEU 14 4.247 -5.707 1.363 141 HD12 LEU 14 HD12 LEU 14 3.160 -4.734 2.355 142 HD13 LEU 14 HD13 LEU 14 4.839 -4.237 2.133 143 HD21 LEU 14 HD21 LEU 14 2.217 -4.034 -1.193 144 HD22 LEU 14 HD22 LEU 14 1.578 -4.605 0.348 145 HD23 LEU 14 HD23 LEU 14 2.732 -5.594 -0.549 146 H ALA 15 HN ALA 15 4.887 0.280 -0.251 147 HA ALA 15 HA ALA 15 6.803 -1.241 -1.730 148 HB1 ALA 15 HB1 ALA 15 5.389 0.450 -2.823 149 HB2 ALA 15 HB2 ALA 15 7.107 0.767 -3.073 150 HB3 ALA 15 HB3 ALA 15 6.197 1.711 -1.893 151 H LYS 16 HN LYS 16 6.926 0.646 1.041 152 HA LYS 16 HA LYS 16 9.609 1.530 0.846 153 HB2 LYS 16 HB2 LYS 16 8.019 0.899 3.345 154 HB3 LYS 16 HB1 LYS 16 9.463 1.893 3.269 155 HG2 LYS 16 HG2 LYS 16 6.776 2.532 2.044 156 HG3 LYS 16 HG1 LYS 16 7.481 3.283 3.472 157 HD2 LYS 16 HD2 LYS 16 8.665 3.418 0.688 158 HD3 LYS 16 HD1 LYS 16 7.662 4.668 1.412 159 HE2 LYS 16 HE2 LYS 16 10.295 3.699 2.529 160 HE3 LYS 16 HE1 LYS 16 10.077 5.150 1.560 161 HZ1 LYS 16 HZ1 LYS 16 10.116 5.661 3.921 162 HZ2 LYS 16 HZ2 LYS 16 8.820 4.637 4.202 163 HZ3 LYS 16 HZ3 LYS 16 8.598 6.015 3.277 164 H ILE 17 HN ILE 17 8.066 -1.331 2.194 165 HA ILE 17 HA ILE 17 10.703 -2.510 2.545 166 HB ILE 17 HB ILE 17 9.538 -4.453 3.626 167 HG12 ILE 17 HG12 ILE 17 7.103 -2.643 3.509 168 HG13 ILE 17 HG11 ILE 17 7.304 -4.128 2.589 169 HG21 ILE 17 HG21 ILE 17 9.084 -3.262 5.727 170 HG22 ILE 17 HG22 ILE 17 9.120 -1.733 4.848 171 HG23 ILE 17 HG23 ILE 17 10.574 -2.726 4.950 172 HD11 ILE 17 HD11 ILE 17 7.173 -3.911 5.588 173 HD12 ILE 17 HD12 ILE 17 7.362 -5.404 4.669 174 HD13 ILE 17 HD13 ILE 17 5.879 -4.460 4.524 175 H PHE 18 HN PHE 18 7.743 -3.225 0.726 176 HA PHE 18 HA PHE 18 9.256 -5.210 -0.791 177 HB2 PHE 18 HB2 PHE 18 7.408 -6.174 0.543 178 HB3 PHE 18 HB1 PHE 18 6.280 -5.091 -0.251 179 HD1 PHE 18 HD1 PHE 18 8.629 -7.877 -0.860 180 HD2 PHE 18 HD2 PHE 18 5.265 -5.704 -2.276 181 HE1 PHE 18 HE1 PHE 18 8.273 -9.573 -2.599 182 HE2 PHE 18 HE2 PHE 18 4.902 -7.393 -4.022 183 HZ PHE 18 HZ PHE 18 6.409 -9.332 -4.185 184 H LYS 19 HN LYS 19 9.894 -4.169 -2.573 185 HA LYS 19 HA LYS 19 8.365 -2.055 -3.707 186 HB2 LYS 19 HB2 LYS 19 10.976 -3.338 -4.514 187 HB3 LYS 19 HB1 LYS 19 10.210 -2.065 -5.441 188 HG2 LYS 19 HG2 LYS 19 11.944 -1.162 -4.075 189 HG3 LYS 19 HG1 LYS 19 10.394 -0.542 -3.500 190 HD2 LYS 19 HD2 LYS 19 11.734 -1.064 -1.584 191 HD3 LYS 19 HD1 LYS 19 10.521 -2.332 -1.713 192 HE2 LYS 19 HE2 LYS 19 12.181 -3.766 -2.850 193 HE3 LYS 19 HE1 LYS 19 13.380 -2.501 -2.641 194 HZ1 LYS 19 HZ1 LYS 19 13.580 -4.181 -0.948 195 HZ2 LYS 19 HZ2 LYS 19 12.008 -3.935 -0.414 196 HZ3 LYS 19 HZ3 LYS 19 13.167 -2.715 -0.250 Start of MODEL 2 1 H2 PRO 1 HT1 PRO 1 -10.483 10.726 13.452 2 H3 PRO 1 HT2 PRO 1 -11.690 11.797 13.044 3 HA PRO 1 HA PRO 1 -11.419 9.724 11.703 4 HB2 PRO 1 HB2 PRO 1 -10.924 11.617 9.615 5 HB3 PRO 1 HB1 PRO 1 -12.468 10.922 10.126 6 HG2 PRO 1 HG2 PRO 1 -11.781 13.570 10.482 7 HG3 PRO 1 HG1 PRO 1 -12.981 12.706 11.451 8 HD2 PRO 1 HD2 PRO 1 -10.180 13.412 12.044 9 HD3 PRO 1 HD1 PRO 1 -11.540 13.390 13.148 10 H MET 2 HN MET 2 -9.735 8.369 11.470 11 HA MET 2 HA MET 2 -7.148 9.493 10.732 12 HB2 MET 2 HB2 MET 2 -7.911 6.697 11.602 13 HB3 MET 2 HB1 MET 2 -6.286 7.199 11.175 14 HG2 MET 2 HG2 MET 2 -6.282 8.768 13.045 15 HG3 MET 2 HG1 MET 2 -7.914 8.261 13.470 16 HE1 MET 2 HE1 MET 2 -5.784 6.699 16.354 17 HE2 MET 2 HE2 MET 2 -7.181 7.696 15.952 18 HE3 MET 2 HE3 MET 2 -5.556 8.259 15.562 19 H ALA 3 HN ALA 3 -6.029 8.686 8.933 20 HA ALA 3 HA ALA 3 -7.607 8.229 6.650 21 HB1 ALA 3 HB1 ALA 3 -5.375 9.264 6.557 22 HB2 ALA 3 HB2 ALA 3 -5.496 7.868 5.487 23 HB3 ALA 3 HB3 ALA 3 -4.650 7.725 7.024 24 H ARG 4 HN ARG 4 -7.970 6.371 5.500 25 HA ARG 4 HA ARG 4 -7.756 3.918 7.064 26 HB2 ARG 4 HB2 ARG 4 -9.251 4.526 4.520 27 HB3 ARG 4 HB1 ARG 4 -9.320 2.991 5.375 28 HG2 ARG 4 HG2 ARG 4 -10.296 5.659 6.399 29 HG3 ARG 4 HG1 ARG 4 -11.314 4.383 5.736 30 HD2 ARG 4 HD2 ARG 4 -11.454 4.296 8.126 31 HD3 ARG 4 HD1 ARG 4 -10.511 2.910 7.583 32 HE ARG 4 HE ARG 4 -8.814 5.048 8.167 33 HH11 ARG 4 HH11 ARG 4 -10.873 2.719 9.829 34 HH12 ARG 4 HH12 ARG 4 -9.946 2.654 11.250 35 HH21 ARG 4 HH21 ARG 4 -7.492 4.965 10.106 36 HH22 ARG 4 HH22 ARG 4 -7.987 3.981 11.416 37 H ASN 5 HN ASN 5 -7.110 1.953 5.865 38 HA ASN 5 HA ASN 5 -4.769 2.571 4.346 39 HB2 ASN 5 HB2 ASN 5 -4.684 0.714 5.965 40 HB3 ASN 5 HB1 ASN 5 -5.945 -0.124 5.070 41 HD21 ASN 5 HD21 ASN 5 -2.634 0.945 4.990 42 HD22 ASN 5 HD22 ASN 5 -2.112 -0.155 3.762 43 H LYS 6 HN LYS 6 -5.634 3.567 2.643 44 HA LYS 6 HA LYS 6 -7.401 2.178 0.841 45 HB2 LYS 6 HB2 LYS 6 -5.805 4.715 0.369 46 HB3 LYS 6 HB1 LYS 6 -7.172 4.157 -0.579 47 HG2 LYS 6 HG2 LYS 6 -7.238 5.122 2.282 48 HG3 LYS 6 HG1 LYS 6 -7.848 5.979 0.871 49 HD2 LYS 6 HD2 LYS 6 -8.910 3.345 1.925 50 HD3 LYS 6 HD1 LYS 6 -9.645 4.917 2.199 51 HE2 LYS 6 HE2 LYS 6 -9.251 3.606 -0.494 52 HE3 LYS 6 HE1 LYS 6 -10.758 3.661 0.416 53 HZ1 LYS 6 HZ1 LYS 6 -9.306 6.038 -0.642 54 HZ2 LYS 6 HZ2 LYS 6 -10.734 6.082 0.224 55 HZ3 LYS 6 HZ3 LYS 6 -10.704 5.359 -1.288 56 HA PRO 7 HA PRO 7 -4.464 -0.249 -1.367 57 HB2 PRO 7 HB2 PRO 7 -5.554 1.081 -3.807 58 HB3 PRO 7 HB1 PRO 7 -5.254 -0.632 -3.489 59 HG2 PRO 7 HG2 PRO 7 -7.719 0.307 -3.326 60 HG3 PRO 7 HG1 PRO 7 -7.120 -0.861 -2.135 61 HD2 PRO 7 HD2 PRO 7 -7.585 2.066 -1.844 62 HD3 PRO 7 HD1 PRO 7 -7.764 0.759 -0.659 63 H LYS 8 HN LYS 8 -4.706 3.067 -2.669 64 HA LYS 8 HA LYS 8 -2.103 3.083 -3.748 65 HB2 LYS 8 HB2 LYS 8 -2.318 5.530 -3.899 66 HB3 LYS 8 HB1 LYS 8 -3.740 4.709 -4.508 67 HG2 LYS 8 HG2 LYS 8 -4.923 5.232 -2.412 68 HG3 LYS 8 HG1 LYS 8 -3.481 6.048 -1.823 69 HD2 LYS 8 HD2 LYS 8 -4.842 6.871 -4.383 70 HD3 LYS 8 HD1 LYS 8 -5.347 7.503 -2.826 71 HE2 LYS 8 HE2 LYS 8 -3.843 9.078 -3.904 72 HE3 LYS 8 HE1 LYS 8 -3.068 8.412 -2.479 73 HZ1 LYS 8 HZ1 LYS 8 -2.523 7.438 -5.248 74 HZ2 LYS 8 HZ2 LYS 8 -1.609 7.125 -3.834 75 HZ3 LYS 8 HZ3 LYS 8 -1.658 8.643 -4.478 76 H ILE 9 HN ILE 9 -3.271 3.867 -0.563 77 HA ILE 9 HA ILE 9 -0.792 4.994 0.358 78 HB ILE 9 HB ILE 9 -3.150 3.922 1.959 79 HG12 ILE 9 HG12 ILE 9 -2.505 6.770 1.145 80 HG13 ILE 9 HG11 ILE 9 -3.773 5.776 0.442 81 HG21 ILE 9 HG21 ILE 9 -2.270 5.292 3.798 82 HG22 ILE 9 HG22 ILE 9 -0.882 5.735 2.803 83 HG23 ILE 9 HG23 ILE 9 -1.111 4.058 3.301 84 HD11 ILE 9 HD11 ILE 9 -3.637 6.695 3.305 85 HD12 ILE 9 HD12 ILE 9 -4.922 5.718 2.596 86 HD13 ILE 9 HD13 ILE 9 -4.667 7.374 2.046 87 H LEU 10 HN LEU 10 -2.454 1.940 0.430 88 HA LEU 10 HA LEU 10 -0.740 0.448 2.041 89 HB2 LEU 10 HB2 LEU 10 -2.936 -0.339 1.383 90 HB3 LEU 10 HB1 LEU 10 -2.444 -0.387 -0.297 91 HG LEU 10 HG LEU 10 -0.847 -2.199 0.249 92 HD11 LEU 10 HD11 LEU 10 -2.125 -2.105 2.976 93 HD12 LEU 10 HD12 LEU 10 -0.448 -1.714 2.591 94 HD13 LEU 10 HD13 LEU 10 -1.036 -3.362 2.393 95 HD21 LEU 10 HD21 LEU 10 -2.550 -3.937 0.570 96 HD22 LEU 10 HD22 LEU 10 -3.042 -2.727 -0.615 97 HD23 LEU 10 HD23 LEU 10 -3.712 -2.690 1.015 98 H LYS 11 HN LYS 11 -0.777 0.919 -1.477 99 HA LYS 11 HA LYS 11 1.462 -0.655 -2.048 100 HB2 LYS 11 HB2 LYS 11 0.378 1.734 -3.522 101 HB3 LYS 11 HB1 LYS 11 1.648 0.697 -4.145 102 HG2 LYS 11 HG2 LYS 11 -1.188 -0.114 -3.522 103 HG3 LYS 11 HG1 LYS 11 -0.494 0.114 -5.123 104 HD2 LYS 11 HD2 LYS 11 0.273 -2.008 -3.105 105 HD3 LYS 11 HD1 LYS 11 -0.623 -2.241 -4.598 106 HE2 LYS 11 HE2 LYS 11 2.245 -1.329 -4.370 107 HE3 LYS 11 HE1 LYS 11 1.704 -2.929 -4.854 108 HZ1 LYS 11 HZ1 LYS 11 0.693 -1.975 -6.825 109 HZ2 LYS 11 HZ2 LYS 11 2.320 -1.548 -6.745 110 HZ3 LYS 11 HZ3 LYS 11 1.153 -0.417 -6.365 111 H ARG 12 HN ARG 12 1.223 2.658 -1.027 112 HA ARG 12 HA ARG 12 3.946 3.231 -1.451 113 HB2 ARG 12 HB2 ARG 12 1.847 4.538 0.244 114 HB3 ARG 12 HB1 ARG 12 3.517 5.090 0.266 115 HG2 ARG 12 HG2 ARG 12 1.774 4.951 -2.191 116 HG3 ARG 12 HG1 ARG 12 2.108 6.412 -1.253 117 HD2 ARG 12 HD2 ARG 12 4.141 4.726 -2.736 118 HD3 ARG 12 HD1 ARG 12 3.573 6.331 -3.180 119 HE ARG 12 HE ARG 12 4.470 6.907 -0.834 120 HH11 ARG 12 HH11 ARG 12 6.065 4.816 -3.216 121 HH12 ARG 12 HH12 ARG 12 7.630 5.071 -2.630 122 HH21 ARG 12 HH21 ARG 12 6.648 7.281 -0.016 123 HH22 ARG 12 HH22 ARG 12 7.964 6.538 -0.795 124 H ILE 13 HN ILE 13 2.243 2.394 1.589 125 HA ILE 13 HA ILE 13 4.646 2.263 3.059 126 HB ILE 13 HB ILE 13 3.422 1.005 4.809 127 HG12 ILE 13 HG12 ILE 13 1.074 1.080 2.897 128 HG13 ILE 13 HG11 ILE 13 1.984 -0.366 3.309 129 HG21 ILE 13 HG21 ILE 13 3.292 3.403 4.806 130 HG22 ILE 13 HG22 ILE 13 1.747 2.730 5.327 131 HG23 ILE 13 HG23 ILE 13 1.927 3.364 3.690 132 HD11 ILE 13 HD11 ILE 13 1.245 -0.154 5.637 133 HD12 ILE 13 HD12 ILE 13 -0.120 -0.267 4.526 134 HD13 ILE 13 HD13 ILE 13 0.332 1.294 5.209 135 H LEU 14 HN LEU 14 2.984 -0.118 1.146 136 HA LEU 14 HA LEU 14 4.588 -2.320 1.866 137 HB2 LEU 14 HB2 LEU 14 2.406 -2.580 0.797 138 HB3 LEU 14 HB1 LEU 14 3.000 -1.787 -0.642 139 HG LEU 14 HG LEU 14 4.576 -3.678 -0.987 140 HD11 LEU 14 HD11 LEU 14 4.774 -4.458 1.299 141 HD12 LEU 14 HD12 LEU 14 4.227 -5.759 0.244 142 HD13 LEU 14 HD13 LEU 14 3.078 -4.939 1.301 143 HD21 LEU 14 HD21 LEU 14 2.437 -3.607 -2.151 144 HD22 LEU 14 HD22 LEU 14 1.659 -4.423 -0.795 145 HD23 LEU 14 HD23 LEU 14 2.876 -5.267 -1.750 146 H ALA 15 HN ALA 15 4.992 0.337 -0.467 147 HA ALA 15 HA ALA 15 6.992 -0.967 -2.003 148 HB1 ALA 15 HB1 ALA 15 7.441 1.257 -2.919 149 HB2 ALA 15 HB2 ALA 15 6.426 1.978 -1.673 150 HB3 ALA 15 HB3 ALA 15 5.712 0.916 -2.886 151 H LYS 16 HN LYS 16 6.961 0.776 0.935 152 HA LYS 16 HA LYS 16 9.709 1.429 1.048 153 HB2 LYS 16 HB2 LYS 16 7.678 1.058 3.229 154 HB3 LYS 16 HB1 LYS 16 9.291 1.719 3.461 155 HG2 LYS 16 HG2 LYS 16 8.717 3.594 1.977 156 HG3 LYS 16 HG1 LYS 16 7.105 2.913 1.754 157 HD2 LYS 16 HD2 LYS 16 7.068 4.699 3.420 158 HD3 LYS 16 HD1 LYS 16 6.678 3.146 4.162 159 HE2 LYS 16 HE2 LYS 16 9.016 2.961 4.930 160 HE3 LYS 16 HE1 LYS 16 9.351 4.535 4.214 161 HZ1 LYS 16 HZ1 LYS 16 8.972 4.662 6.574 162 HZ2 LYS 16 HZ2 LYS 16 7.471 3.949 6.427 163 HZ3 LYS 16 HZ3 LYS 16 7.742 5.504 5.783 164 H ILE 17 HN ILE 17 7.818 -1.328 2.123 165 HA ILE 17 HA ILE 17 10.211 -2.517 3.258 166 HB ILE 17 HB ILE 17 8.242 -2.687 4.667 167 HG12 ILE 17 HG12 ILE 17 8.963 -5.402 3.525 168 HG13 ILE 17 HG11 ILE 17 9.848 -4.546 4.776 169 HG21 ILE 17 HG21 ILE 17 6.259 -3.988 4.053 170 HG22 ILE 17 HG22 ILE 17 6.903 -4.168 2.419 171 HG23 ILE 17 HG23 ILE 17 6.488 -2.567 3.033 172 HD11 ILE 17 HD11 ILE 17 8.478 -6.321 5.713 173 HD12 ILE 17 HD12 ILE 17 7.033 -5.591 5.011 174 HD13 ILE 17 HD13 ILE 17 7.926 -4.741 6.272 175 H PHE 18 HN PHE 18 7.999 -3.084 0.555 176 HA PHE 18 HA PHE 18 9.525 -5.462 -0.117 177 HB2 PHE 18 HB2 PHE 18 7.020 -5.603 -0.001 178 HB3 PHE 18 HB1 PHE 18 6.942 -4.463 -1.331 179 HD1 PHE 18 HD1 PHE 18 8.566 -7.715 -0.492 180 HD2 PHE 18 HD2 PHE 18 6.644 -5.326 -3.438 181 HE1 PHE 18 HE1 PHE 18 8.641 -9.600 -2.057 182 HE2 PHE 18 HE2 PHE 18 6.723 -7.211 -5.015 183 HZ PHE 18 HZ PHE 18 7.722 -9.353 -4.318 184 H LYS 19 HN LYS 19 11.335 -4.266 -0.728 185 HA LYS 19 HA LYS 19 11.101 -3.326 -3.425 186 HB2 LYS 19 HB2 LYS 19 13.121 -1.742 -2.694 187 HB3 LYS 19 HB1 LYS 19 11.448 -1.239 -2.595 188 HG2 LYS 19 HG2 LYS 19 12.541 -0.548 -0.581 189 HG3 LYS 19 HG1 LYS 19 11.449 -1.852 -0.184 190 HD2 LYS 19 HD2 LYS 19 13.415 -2.224 1.084 191 HD3 LYS 19 HD1 LYS 19 13.463 -3.388 -0.230 192 HE2 LYS 19 HE2 LYS 19 14.985 -0.766 -0.180 193 HE3 LYS 19 HE1 LYS 19 15.657 -2.325 0.269 194 HZ1 LYS 19 HZ1 LYS 19 16.323 -1.944 -1.931 195 HZ2 LYS 19 HZ2 LYS 19 14.811 -1.398 -2.410 196 HZ3 LYS 19 HZ3 LYS 19 15.033 -3.039 -2.063 Start of MODEL 3 1 H2 PRO 1 HT1 PRO 1 -18.160 -0.209 11.954 2 H3 PRO 1 HT2 PRO 1 -17.107 -1.317 12.519 3 HA PRO 1 HA PRO 1 -18.067 -3.070 11.237 4 HB2 PRO 1 HB2 PRO 1 -19.028 -1.542 9.105 5 HB3 PRO 1 HB1 PRO 1 -20.011 -2.528 10.197 6 HG2 PRO 1 HG2 PRO 1 -19.441 0.401 10.298 7 HG3 PRO 1 HG1 PRO 1 -20.931 -0.466 10.707 8 HD2 PRO 1 HD2 PRO 1 -19.401 0.459 12.648 9 HD3 PRO 1 HD1 PRO 1 -20.158 -1.121 12.755 10 H MET 2 HN MET 2 -17.188 -3.106 8.826 11 HA MET 2 HA MET 2 -15.032 -1.158 8.563 12 HB2 MET 2 HB2 MET 2 -13.463 -2.912 7.835 13 HB3 MET 2 HB1 MET 2 -13.978 -3.153 9.493 14 HG2 MET 2 HG2 MET 2 -15.467 -4.935 8.802 15 HG3 MET 2 HG1 MET 2 -15.076 -4.632 7.114 16 HE1 MET 2 HE1 MET 2 -12.778 -5.178 5.984 17 HE2 MET 2 HE2 MET 2 -11.367 -5.791 6.841 18 HE3 MET 2 HE3 MET 2 -11.927 -4.148 7.139 19 H ALA 3 HN ALA 3 -14.003 -1.396 6.320 20 HA ALA 3 HA ALA 3 -15.794 -2.175 4.218 21 HB1 ALA 3 HB1 ALA 3 -16.699 0.032 4.868 22 HB2 ALA 3 HB2 ALA 3 -15.970 0.089 3.269 23 HB3 ALA 3 HB3 ALA 3 -15.103 0.751 4.652 24 H ARG 4 HN ARG 4 -14.424 -0.435 2.294 25 HA ARG 4 HA ARG 4 -11.930 -1.913 2.186 26 HB2 ARG 4 HB2 ARG 4 -13.285 -0.145 0.119 27 HB3 ARG 4 HB1 ARG 4 -11.762 -0.976 -0.111 28 HG2 ARG 4 HG2 ARG 4 -14.333 -2.381 0.531 29 HG3 ARG 4 HG1 ARG 4 -13.733 -2.104 -1.109 30 HD2 ARG 4 HD2 ARG 4 -12.313 -3.622 1.077 31 HD3 ARG 4 HD1 ARG 4 -13.147 -4.335 -0.303 32 HE ARG 4 HE ARG 4 -11.551 -2.924 -1.640 33 HH11 ARG 4 HH11 ARG 4 -10.662 -4.416 1.478 34 HH12 ARG 4 HH12 ARG 4 -9.035 -4.652 1.068 35 HH21 ARG 4 HH21 ARG 4 -9.269 -3.271 -2.184 36 HH22 ARG 4 HH22 ARG 4 -8.214 -3.972 -1.048 37 H ASN 5 HN ASN 5 -10.110 -0.490 1.029 38 HA ASN 5 HA ASN 5 -9.800 2.079 2.390 39 HB2 ASN 5 HB2 ASN 5 -8.760 0.152 3.741 40 HB3 ASN 5 HB1 ASN 5 -7.697 -0.120 2.375 41 HD21 ASN 5 HD21 ASN 5 -6.968 0.475 5.063 42 HD22 ASN 5 HD22 ASN 5 -6.107 1.975 5.058 43 H LYS 6 HN LYS 6 -8.027 3.256 1.278 44 HA LYS 6 HA LYS 6 -8.149 2.716 -1.538 45 HB2 LYS 6 HB2 LYS 6 -6.901 4.891 -1.750 46 HB3 LYS 6 HB1 LYS 6 -8.461 5.005 -0.955 47 HG2 LYS 6 HG2 LYS 6 -7.235 5.013 1.234 48 HG3 LYS 6 HG1 LYS 6 -5.737 5.088 0.308 49 HD2 LYS 6 HD2 LYS 6 -6.391 7.157 -0.707 50 HD3 LYS 6 HD1 LYS 6 -7.977 7.078 0.054 51 HE2 LYS 6 HE2 LYS 6 -6.906 7.245 2.262 52 HE3 LYS 6 HE1 LYS 6 -5.332 7.356 1.474 53 HZ1 LYS 6 HZ1 LYS 6 -6.023 9.395 0.419 54 HZ2 LYS 6 HZ2 LYS 6 -6.230 9.545 2.080 55 HZ3 LYS 6 HZ3 LYS 6 -7.556 9.281 1.085 56 HA PRO 7 HA PRO 7 -4.549 0.211 -1.411 57 HB2 PRO 7 HB2 PRO 7 -4.159 -0.024 -4.092 58 HB3 PRO 7 HB1 PRO 7 -5.398 -0.915 -3.201 59 HG2 PRO 7 HG2 PRO 7 -5.664 1.584 -4.825 60 HG3 PRO 7 HG1 PRO 7 -6.732 0.169 -4.770 61 HD2 PRO 7 HD2 PRO 7 -7.296 2.444 -3.455 62 HD3 PRO 7 HD1 PRO 7 -7.734 0.849 -2.803 63 H LYS 8 HN LYS 8 -4.596 3.317 -2.878 64 HA LYS 8 HA LYS 8 -1.979 3.495 -3.856 65 HB2 LYS 8 HB2 LYS 8 -3.764 5.662 -2.755 66 HB3 LYS 8 HB1 LYS 8 -2.208 5.978 -3.503 67 HG2 LYS 8 HG2 LYS 8 -3.019 4.984 -5.591 68 HG3 LYS 8 HG1 LYS 8 -4.591 4.705 -4.839 69 HD2 LYS 8 HD2 LYS 8 -4.880 7.101 -4.500 70 HD3 LYS 8 HD1 LYS 8 -3.274 7.406 -5.155 71 HE2 LYS 8 HE2 LYS 8 -4.973 7.886 -6.824 72 HE3 LYS 8 HE1 LYS 8 -3.993 6.513 -7.322 73 HZ1 LYS 8 HZ1 LYS 8 -6.367 6.171 -7.728 74 HZ2 LYS 8 HZ2 LYS 8 -6.696 6.319 -6.089 75 HZ3 LYS 8 HZ3 LYS 8 -5.775 5.030 -6.649 76 H ILE 9 HN ILE 9 -3.195 4.278 -0.605 77 HA ILE 9 HA ILE 9 -0.567 5.016 0.266 78 HB ILE 9 HB ILE 9 -1.508 5.155 2.550 79 HG12 ILE 9 HG12 ILE 9 -4.117 4.260 1.274 80 HG13 ILE 9 HG11 ILE 9 -3.142 3.299 2.370 81 HG21 ILE 9 HG21 ILE 9 -3.076 7.004 2.131 82 HG22 ILE 9 HG22 ILE 9 -3.166 6.522 0.436 83 HG23 ILE 9 HG23 ILE 9 -1.639 7.090 1.110 84 HD11 ILE 9 HD11 ILE 9 -3.559 4.900 4.163 85 HD12 ILE 9 HD12 ILE 9 -5.067 4.271 3.498 86 HD13 ILE 9 HD13 ILE 9 -4.517 5.888 3.060 87 H LEU 10 HN LEU 10 -2.520 2.168 0.338 88 HA LEU 10 HA LEU 10 -1.025 0.719 2.250 89 HB2 LEU 10 HB2 LEU 10 -2.778 -0.327 0.033 90 HB3 LEU 10 HB1 LEU 10 -2.206 -1.246 1.410 91 HG LEU 10 HG LEU 10 -4.127 1.076 1.499 92 HD11 LEU 10 HD11 LEU 10 -5.138 -0.921 0.610 93 HD12 LEU 10 HD12 LEU 10 -5.726 -0.625 2.250 94 HD13 LEU 10 HD13 LEU 10 -4.515 -1.870 1.959 95 HD21 LEU 10 HD21 LEU 10 -4.365 0.513 3.890 96 HD22 LEU 10 HD22 LEU 10 -2.745 1.075 3.496 97 HD23 LEU 10 HD23 LEU 10 -3.042 -0.645 3.737 98 H LYS 11 HN LYS 11 -0.972 0.705 -1.309 99 HA LYS 11 HA LYS 11 1.122 -1.159 -1.531 100 HB2 LYS 11 HB2 LYS 11 0.087 0.962 -3.397 101 HB3 LYS 11 HB1 LYS 11 1.490 -0.005 -3.813 102 HG2 LYS 11 HG2 LYS 11 -1.259 -1.092 -3.205 103 HG3 LYS 11 HG1 LYS 11 -0.572 -0.873 -4.819 104 HD2 LYS 11 HD2 LYS 11 1.316 -2.364 -4.105 105 HD3 LYS 11 HD1 LYS 11 0.410 -2.715 -2.640 106 HE2 LYS 11 HE2 LYS 11 -0.538 -3.249 -5.453 107 HE3 LYS 11 HE1 LYS 11 0.133 -4.450 -4.356 108 HZ1 LYS 11 HZ1 LYS 11 -2.250 -4.537 -4.377 109 HZ2 LYS 11 HZ2 LYS 11 -2.373 -2.918 -3.940 110 HZ3 LYS 11 HZ3 LYS 11 -1.731 -4.033 -2.857 111 H ARG 12 HN ARG 12 1.097 2.340 -1.231 112 HA ARG 12 HA ARG 12 3.770 2.845 -1.600 113 HB2 ARG 12 HB2 ARG 12 1.539 4.278 -1.037 114 HB3 ARG 12 HB1 ARG 12 2.381 4.377 0.498 115 HG2 ARG 12 HG2 ARG 12 2.969 6.263 -0.824 116 HG3 ARG 12 HG1 ARG 12 4.373 5.192 -0.739 117 HD2 ARG 12 HD2 ARG 12 4.080 5.975 -3.000 118 HD3 ARG 12 HD1 ARG 12 3.762 4.252 -2.946 119 HE ARG 12 HE ARG 12 1.453 5.969 -2.682 120 HH11 ARG 12 HH11 ARG 12 3.385 3.963 -4.853 121 HH12 ARG 12 HH12 ARG 12 2.265 3.995 -6.124 122 HH21 ARG 12 HH21 ARG 12 -0.084 6.013 -4.384 123 HH22 ARG 12 HH22 ARG 12 0.228 5.197 -5.860 124 H ILE 13 HN ILE 13 2.017 2.025 1.410 125 HA ILE 13 HA ILE 13 4.171 2.152 3.211 126 HB ILE 13 HB ILE 13 1.782 0.265 3.307 127 HG12 ILE 13 HG12 ILE 13 2.186 2.937 4.675 128 HG13 ILE 13 HG11 ILE 13 1.216 2.692 3.228 129 HG21 ILE 13 HG21 ILE 13 2.211 0.109 5.719 130 HG22 ILE 13 HG22 ILE 13 3.655 1.103 5.525 131 HG23 ILE 13 HG23 ILE 13 3.580 -0.496 4.782 132 HD11 ILE 13 HD11 ILE 13 -0.171 2.840 5.215 133 HD12 ILE 13 HD12 ILE 13 0.694 1.483 5.937 134 HD13 ILE 13 HD13 ILE 13 -0.286 1.236 4.493 135 H LEU 14 HN LEU 14 3.005 -0.548 1.278 136 HA LEU 14 HA LEU 14 5.038 -2.314 2.165 137 HB2 LEU 14 HB2 LEU 14 3.022 -2.473 -0.049 138 HB3 LEU 14 HB1 LEU 14 4.322 -3.636 0.035 139 HG LEU 14 HG LEU 14 2.305 -4.573 0.977 140 HD11 LEU 14 HD11 LEU 14 4.405 -5.274 1.939 141 HD12 LEU 14 HD12 LEU 14 3.114 -5.292 3.135 142 HD13 LEU 14 HD13 LEU 14 4.300 -3.991 3.146 143 HD21 LEU 14 HD21 LEU 14 1.256 -3.691 3.002 144 HD22 LEU 14 HD22 LEU 14 1.189 -2.508 1.694 145 HD23 LEU 14 HD23 LEU 14 2.369 -2.324 2.990 146 H ALA 15 HN ALA 15 4.995 0.191 -0.228 147 HA ALA 15 HA ALA 15 7.104 -0.912 -1.806 148 HB1 ALA 15 HB1 ALA 15 5.482 0.692 -2.724 149 HB2 ALA 15 HB2 ALA 15 7.147 1.237 -2.919 150 HB3 ALA 15 HB3 ALA 15 6.131 1.939 -1.657 151 H LYS 16 HN LYS 16 6.958 0.714 1.162 152 HA LYS 16 HA LYS 16 9.635 1.730 1.119 153 HB2 LYS 16 HB2 LYS 16 7.870 1.042 3.470 154 HB3 LYS 16 HB1 LYS 16 9.407 1.874 3.587 155 HG2 LYS 16 HG2 LYS 16 8.430 3.712 2.211 156 HG3 LYS 16 HG1 LYS 16 6.873 2.881 2.315 157 HD2 LYS 16 HD2 LYS 16 6.959 3.001 4.743 158 HD3 LYS 16 HD1 LYS 16 8.527 3.800 4.661 159 HE2 LYS 16 HE2 LYS 16 7.447 5.652 3.407 160 HE3 LYS 16 HE1 LYS 16 5.896 4.851 3.647 161 HZ1 LYS 16 HZ1 LYS 16 6.250 6.569 5.302 162 HZ2 LYS 16 HZ2 LYS 16 7.682 5.850 5.796 163 HZ3 LYS 16 HZ3 LYS 16 6.220 5.070 6.067 164 H ILE 17 HN ILE 17 8.088 -1.259 1.891 165 HA ILE 17 HA ILE 17 10.516 -2.398 3.033 166 HB ILE 17 HB ILE 17 7.917 -3.800 2.317 167 HG12 ILE 17 HG12 ILE 17 8.783 -2.716 5.006 168 HG13 ILE 17 HG11 ILE 17 7.580 -1.958 3.967 169 HG21 ILE 17 HG21 ILE 17 8.682 -5.519 3.902 170 HG22 ILE 17 HG22 ILE 17 10.174 -4.618 4.156 171 HG23 ILE 17 HG23 ILE 17 9.823 -5.311 2.572 172 HD11 ILE 17 HD11 ILE 17 6.160 -3.941 4.198 173 HD12 ILE 17 HD12 ILE 17 6.534 -3.218 5.762 174 HD13 ILE 17 HD13 ILE 17 7.373 -4.679 5.244 175 H PHE 18 HN PHE 18 8.382 -2.917 0.187 176 HA PHE 18 HA PHE 18 10.474 -4.411 -1.089 177 HB2 PHE 18 HB2 PHE 18 7.522 -4.121 -1.614 178 HB3 PHE 18 HB1 PHE 18 8.634 -5.127 -2.517 179 HD1 PHE 18 HD1 PHE 18 6.639 -4.792 0.497 180 HD2 PHE 18 HD2 PHE 18 9.570 -7.172 -1.461 181 HE1 PHE 18 HE1 PHE 18 6.188 -6.632 2.070 182 HE2 PHE 18 HE2 PHE 18 9.127 -9.015 0.107 183 HZ PHE 18 HZ PHE 18 7.434 -8.746 1.875 184 H LYS 19 HN LYS 19 11.715 -2.747 -1.986 185 HA LYS 19 HA LYS 19 10.466 -0.544 -3.314 186 HB2 LYS 19 HB2 LYS 19 13.361 -1.419 -3.153 187 HB3 LYS 19 HB1 LYS 19 12.817 0.014 -3.995 188 HG2 LYS 19 HG2 LYS 19 13.735 0.631 -1.893 189 HG3 LYS 19 HG1 LYS 19 11.997 0.937 -1.832 190 HD2 LYS 19 HD2 LYS 19 12.726 0.004 0.270 191 HD3 LYS 19 HD1 LYS 19 11.788 -1.223 -0.575 192 HE2 LYS 19 HE2 LYS 19 13.865 -2.299 -1.320 193 HE3 LYS 19 HE1 LYS 19 14.803 -1.061 -0.487 194 HZ1 LYS 19 HZ1 LYS 19 14.591 -3.124 0.805 195 HZ2 LYS 19 HZ2 LYS 19 12.923 -2.944 0.842 196 HZ3 LYS 19 HZ3 LYS 19 13.910 -1.804 1.596 Start of MODEL 4 1 H2 PRO 1 HT1 PRO 1 -17.538 -1.272 5.622 2 H3 PRO 1 HT2 PRO 1 -18.245 0.202 5.459 3 HA PRO 1 HA PRO 1 -16.917 1.143 7.206 4 HB2 PRO 1 HB2 PRO 1 -14.698 -0.502 7.039 5 HB3 PRO 1 HB1 PRO 1 -15.783 -0.384 8.433 6 HG2 PRO 1 HG2 PRO 1 -15.755 -2.396 6.226 7 HG3 PRO 1 HG1 PRO 1 -16.122 -2.625 7.944 8 HD2 PRO 1 HD2 PRO 1 -18.097 -2.605 6.179 9 HD3 PRO 1 HD1 PRO 1 -18.258 -1.832 7.742 10 H MET 2 HN MET 2 -15.491 2.541 6.296 11 HA MET 2 HA MET 2 -15.131 2.281 3.435 12 HB2 MET 2 HB2 MET 2 -14.481 4.530 5.339 13 HB3 MET 2 HB1 MET 2 -14.316 4.610 3.590 14 HG2 MET 2 HG2 MET 2 -16.693 4.327 3.320 15 HG3 MET 2 HG1 MET 2 -16.893 4.127 5.058 16 HE1 MET 2 HE1 MET 2 -18.552 7.580 4.291 17 HE2 MET 2 HE2 MET 2 -18.755 6.036 5.104 18 HE3 MET 2 HE3 MET 2 -18.575 6.088 3.349 19 H ALA 3 HN ALA 3 -13.056 2.667 2.471 20 HA ALA 3 HA ALA 3 -11.013 1.201 3.825 21 HB1 ALA 3 HB1 ALA 3 -11.387 0.891 1.420 22 HB2 ALA 3 HB2 ALA 3 -9.748 1.460 1.743 23 HB3 ALA 3 HB3 ALA 3 -10.968 2.580 1.138 24 H ARG 4 HN ARG 4 -10.168 2.265 5.428 25 HA ARG 4 HA ARG 4 -9.591 5.073 5.486 26 HB2 ARG 4 HB2 ARG 4 -8.383 2.875 7.158 27 HB3 ARG 4 HB1 ARG 4 -8.389 4.588 7.528 28 HG2 ARG 4 HG2 ARG 4 -10.806 4.520 7.790 29 HG3 ARG 4 HG1 ARG 4 -10.793 2.795 7.402 30 HD2 ARG 4 HD2 ARG 4 -10.849 3.120 9.810 31 HD3 ARG 4 HD1 ARG 4 -9.328 2.383 9.302 32 HE ARG 4 HE ARG 4 -9.547 5.255 9.718 33 HH11 ARG 4 HH11 ARG 4 -7.928 2.182 10.450 34 HH12 ARG 4 HH12 ARG 4 -6.788 2.878 11.514 35 HH21 ARG 4 HH21 ARG 4 -7.979 6.178 11.248 36 HH22 ARG 4 HH22 ARG 4 -6.807 5.154 11.963 37 H ASN 5 HN ASN 5 -7.689 2.185 5.325 38 HA ASN 5 HA ASN 5 -5.423 3.657 4.265 39 HB2 ASN 5 HB2 ASN 5 -4.889 1.972 5.959 40 HB3 ASN 5 HB1 ASN 5 -5.710 0.731 5.022 41 HD21 ASN 5 HD21 ASN 5 -4.635 -0.241 3.355 42 HD22 ASN 5 HD22 ASN 5 -2.979 0.068 2.986 43 H LYS 6 HN LYS 6 -6.075 4.259 2.341 44 HA LYS 6 HA LYS 6 -7.463 2.742 0.431 45 HB2 LYS 6 HB2 LYS 6 -5.479 4.968 -0.079 46 HB3 LYS 6 HB1 LYS 6 -6.743 4.429 -1.165 47 HG2 LYS 6 HG2 LYS 6 -8.440 5.253 0.393 48 HG3 LYS 6 HG1 LYS 6 -7.166 5.779 1.499 49 HD2 LYS 6 HD2 LYS 6 -6.263 7.227 -0.303 50 HD3 LYS 6 HD1 LYS 6 -7.625 6.755 -1.314 51 HE2 LYS 6 HE2 LYS 6 -7.794 8.229 1.323 52 HE3 LYS 6 HE1 LYS 6 -7.965 8.942 -0.270 53 HZ1 LYS 6 HZ1 LYS 6 -10.120 8.538 0.760 54 HZ2 LYS 6 HZ2 LYS 6 -9.809 6.903 0.879 55 HZ3 LYS 6 HZ3 LYS 6 -9.957 7.625 -0.627 56 HA PRO 7 HA PRO 7 -4.391 -0.107 -1.235 57 HB2 PRO 7 HB2 PRO 7 -5.398 0.929 -3.850 58 HB3 PRO 7 HB1 PRO 7 -5.152 -0.741 -3.336 59 HG2 PRO 7 HG2 PRO 7 -7.600 0.294 -3.398 60 HG3 PRO 7 HG1 PRO 7 -7.103 -0.787 -2.084 61 HD2 PRO 7 HD2 PRO 7 -7.506 2.162 -2.051 62 HD3 PRO 7 HD1 PRO 7 -7.734 0.965 -0.766 63 H LYS 8 HN LYS 8 -4.683 3.159 -2.521 64 HA LYS 8 HA LYS 8 -2.206 3.573 -3.755 65 HB2 LYS 8 HB2 LYS 8 -3.848 5.423 -2.024 66 HB3 LYS 8 HB1 LYS 8 -2.421 5.942 -2.897 67 HG2 LYS 8 HG2 LYS 8 -4.829 4.737 -4.203 68 HG3 LYS 8 HG1 LYS 8 -4.596 6.475 -3.988 69 HD2 LYS 8 HD2 LYS 8 -2.495 6.303 -5.263 70 HD3 LYS 8 HD1 LYS 8 -2.814 4.584 -5.512 71 HE2 LYS 8 HE2 LYS 8 -4.817 5.094 -6.725 72 HE3 LYS 8 HE1 LYS 8 -4.637 6.807 -6.363 73 HZ1 LYS 8 HZ1 LYS 8 -3.898 6.260 -8.592 74 HZ2 LYS 8 HZ2 LYS 8 -2.729 5.205 -7.976 75 HZ3 LYS 8 HZ3 LYS 8 -2.622 6.847 -7.658 76 H ILE 9 HN ILE 9 -3.103 4.149 -0.412 77 HA ILE 9 HA ILE 9 -0.548 4.894 0.537 78 HB ILE 9 HB ILE 9 -2.913 3.811 2.107 79 HG12 ILE 9 HG12 ILE 9 -2.247 6.681 1.413 80 HG13 ILE 9 HG11 ILE 9 -3.505 5.735 0.634 81 HG21 ILE 9 HG21 ILE 9 -1.971 5.111 3.962 82 HG22 ILE 9 HG22 ILE 9 -0.608 5.577 2.947 83 HG23 ILE 9 HG23 ILE 9 -0.834 3.886 3.396 84 HD11 ILE 9 HD11 ILE 9 -4.692 5.567 2.761 85 HD12 ILE 9 HD12 ILE 9 -4.418 7.250 2.306 86 HD13 ILE 9 HD13 ILE 9 -3.412 6.491 3.541 87 H LEU 10 HN LEU 10 -2.393 1.934 0.472 88 HA LEU 10 HA LEU 10 -0.802 0.230 1.982 89 HB2 LEU 10 HB2 LEU 10 -3.074 -0.272 1.126 90 HB3 LEU 10 HB1 LEU 10 -2.408 -0.403 -0.484 91 HG LEU 10 HG LEU 10 -1.064 -2.342 0.264 92 HD11 LEU 10 HD11 LEU 10 -0.945 -1.851 2.646 93 HD12 LEU 10 HD12 LEU 10 -1.643 -3.446 2.373 94 HD13 LEU 10 HD13 LEU 10 -2.685 -2.088 2.794 95 HD21 LEU 10 HD21 LEU 10 -4.046 -2.558 0.652 96 HD22 LEU 10 HD22 LEU 10 -2.951 -3.908 0.359 97 HD23 LEU 10 HD23 LEU 10 -3.178 -2.673 -0.880 98 H LYS 11 HN LYS 11 -0.731 0.864 -1.529 99 HA LYS 11 HA LYS 11 1.473 -0.816 -2.012 100 HB2 LYS 11 HB2 LYS 11 0.422 1.491 -3.639 101 HB3 LYS 11 HB1 LYS 11 1.692 0.405 -4.180 102 HG2 LYS 11 HG2 LYS 11 0.133 -1.480 -4.001 103 HG3 LYS 11 HG1 LYS 11 -1.136 -0.363 -3.505 104 HD2 LYS 11 HD2 LYS 11 -0.915 0.822 -5.643 105 HD3 LYS 11 HD1 LYS 11 0.337 -0.319 -6.137 106 HE2 LYS 11 HE2 LYS 11 -1.267 -2.157 -5.942 107 HE3 LYS 11 HE1 LYS 11 -2.512 -1.010 -5.456 108 HZ1 LYS 11 HZ1 LYS 11 -2.261 0.066 -7.636 109 HZ2 LYS 11 HZ2 LYS 11 -2.734 -1.545 -7.742 110 HZ3 LYS 11 HZ3 LYS 11 -1.147 -1.131 -8.089 111 H ARG 12 HN ARG 12 1.274 2.599 -1.231 112 HA ARG 12 HA ARG 12 4.006 3.177 -1.601 113 HB2 ARG 12 HB2 ARG 12 1.846 4.475 0.001 114 HB3 ARG 12 HB1 ARG 12 3.511 4.835 0.407 115 HG2 ARG 12 HG2 ARG 12 2.635 6.560 -1.021 116 HG3 ARG 12 HG1 ARG 12 3.897 5.672 -1.852 117 HD2 ARG 12 HD2 ARG 12 0.958 5.157 -2.251 118 HD3 ARG 12 HD1 ARG 12 1.881 6.306 -3.213 119 HE ARG 12 HE ARG 12 3.155 3.815 -3.242 120 HH11 ARG 12 HH11 ARG 12 0.313 5.452 -4.519 121 HH12 ARG 12 HH12 ARG 12 0.142 4.477 -5.897 122 HH21 ARG 12 HH21 ARG 12 2.962 2.445 -5.167 123 HH22 ARG 12 HH22 ARG 12 1.698 2.700 -6.276 124 H ILE 13 HN ILE 13 2.325 2.367 1.456 125 HA ILE 13 HA ILE 13 4.705 2.207 2.926 126 HB ILE 13 HB ILE 13 2.600 2.444 4.139 127 HG12 ILE 13 HG12 ILE 13 3.949 -0.177 4.832 128 HG13 ILE 13 HG11 ILE 13 4.454 1.421 5.361 129 HG21 ILE 13 HG21 ILE 13 0.996 0.607 4.393 130 HG22 ILE 13 HG22 ILE 13 1.900 -0.324 3.198 131 HG23 ILE 13 HG23 ILE 13 1.114 1.183 2.730 132 HD11 ILE 13 HD11 ILE 13 3.296 0.227 7.131 133 HD12 ILE 13 HD12 ILE 13 1.879 0.041 6.098 134 HD13 ILE 13 HD13 ILE 13 2.374 1.647 6.634 135 H LEU 14 HN LEU 14 3.030 -0.270 1.074 136 HA LEU 14 HA LEU 14 4.829 -2.300 1.888 137 HB2 LEU 14 HB2 LEU 14 2.647 -2.152 -0.113 138 HB3 LEU 14 HB1 LEU 14 3.867 -3.379 -0.360 139 HG LEU 14 HG LEU 14 1.899 -4.271 0.789 140 HD11 LEU 14 HD11 LEU 14 4.030 -5.304 1.199 141 HD12 LEU 14 HD12 LEU 14 3.031 -5.363 2.649 142 HD13 LEU 14 HD13 LEU 14 4.351 -4.202 2.535 143 HD21 LEU 14 HD21 LEU 14 1.371 -3.634 3.087 144 HD22 LEU 14 HD22 LEU 14 1.193 -2.256 1.996 145 HD23 LEU 14 HD23 LEU 14 2.616 -2.386 3.033 146 H ALA 15 HN ALA 15 5.083 0.192 -0.508 147 HA ALA 15 HA ALA 15 7.168 -1.184 -1.957 148 HB1 ALA 15 HB1 ALA 15 7.479 0.946 -3.103 149 HB2 ALA 15 HB2 ALA 15 6.424 1.733 -1.927 150 HB3 ALA 15 HB3 ALA 15 5.763 0.526 -3.027 151 H LYS 16 HN LYS 16 6.855 0.869 0.732 152 HA LYS 16 HA LYS 16 9.615 1.536 0.983 153 HB2 LYS 16 HB2 LYS 16 7.835 2.945 1.891 154 HB3 LYS 16 HB1 LYS 16 7.320 1.637 2.937 155 HG2 LYS 16 HG2 LYS 16 9.265 1.855 4.290 156 HG3 LYS 16 HG1 LYS 16 10.023 2.944 3.128 157 HD2 LYS 16 HD2 LYS 16 9.083 4.142 5.092 158 HD3 LYS 16 HD1 LYS 16 8.364 4.651 3.567 159 HE2 LYS 16 HE2 LYS 16 6.429 3.183 4.019 160 HE3 LYS 16 HE1 LYS 16 7.152 2.729 5.561 161 HZ1 LYS 16 HZ1 LYS 16 6.372 5.486 4.784 162 HZ2 LYS 16 HZ2 LYS 16 6.940 4.998 6.310 163 HZ3 LYS 16 HZ3 LYS 16 5.458 4.465 5.743 164 H ILE 17 HN ILE 17 7.556 -1.044 1.990 165 HA ILE 17 HA ILE 17 9.527 -2.264 3.740 166 HB ILE 17 HB ILE 17 6.925 -3.354 2.616 167 HG12 ILE 17 HG12 ILE 17 7.527 -2.305 5.384 168 HG13 ILE 17 HG11 ILE 17 6.701 -1.389 4.130 169 HG21 ILE 17 HG21 ILE 17 8.435 -5.166 3.208 170 HG22 ILE 17 HG22 ILE 17 7.098 -5.085 4.356 171 HG23 ILE 17 HG23 ILE 17 8.685 -4.459 4.804 172 HD11 ILE 17 HD11 ILE 17 4.878 -2.996 4.143 173 HD12 ILE 17 HD12 ILE 17 5.148 -2.342 5.758 174 HD13 ILE 17 HD13 ILE 17 5.721 -3.961 5.352 175 H PHE 18 HN PHE 18 8.050 -2.937 0.568 176 HA PHE 18 HA PHE 18 10.168 -4.870 0.016 177 HB2 PHE 18 HB2 PHE 18 7.905 -5.844 0.166 178 HB3 PHE 18 HB1 PHE 18 7.331 -4.713 -1.043 179 HD1 PHE 18 HD1 PHE 18 7.902 -5.035 -3.409 180 HD2 PHE 18 HD2 PHE 18 9.196 -7.779 -0.427 181 HE1 PHE 18 HE1 PHE 18 8.405 -6.688 -5.158 182 HE2 PHE 18 HE2 PHE 18 9.710 -9.440 -2.187 183 HZ PHE 18 HZ PHE 18 9.310 -8.888 -4.548 184 H LYS 19 HN LYS 19 11.631 -3.631 -0.975 185 HA LYS 19 HA LYS 19 10.793 -2.396 -3.432 186 HB2 LYS 19 HB2 LYS 19 12.693 -0.755 -3.107 187 HB3 LYS 19 HB1 LYS 19 11.343 -0.540 -2.018 188 HG2 LYS 19 HG2 LYS 19 13.889 -1.966 -1.226 189 HG3 LYS 19 HG1 LYS 19 13.655 -0.237 -1.040 190 HD2 LYS 19 HD2 LYS 19 11.713 -0.688 0.429 191 HD3 LYS 19 HD1 LYS 19 12.021 -2.415 0.275 192 HE2 LYS 19 HE2 LYS 19 14.261 -2.070 1.255 193 HE3 LYS 19 HE1 LYS 19 13.895 -0.364 1.453 194 HZ1 LYS 19 HZ1 LYS 19 13.505 -1.499 3.518 195 HZ2 LYS 19 HZ2 LYS 19 12.519 -2.635 2.775 196 HZ3 LYS 19 HZ3 LYS 19 12.006 -1.033 2.894 Start of MODEL 5 1 H2 PRO 1 HT1 PRO 1 -11.402 6.992 9.611 2 H3 PRO 1 HT2 PRO 1 -13.015 6.670 9.381 3 HA PRO 1 HA PRO 1 -13.202 8.085 7.556 4 HB2 PRO 1 HB2 PRO 1 -10.278 8.179 7.219 5 HB3 PRO 1 HB1 PRO 1 -11.487 9.418 6.854 6 HG2 PRO 1 HG2 PRO 1 -9.855 9.597 8.995 7 HG3 PRO 1 HG1 PRO 1 -11.514 10.213 9.020 8 HD2 PRO 1 HD2 PRO 1 -10.337 7.832 10.281 9 HD3 PRO 1 HD1 PRO 1 -11.651 8.803 10.851 10 H MET 2 HN MET 2 -12.081 7.350 5.368 11 HA MET 2 HA MET 2 -11.863 4.453 5.478 12 HB2 MET 2 HB2 MET 2 -12.099 6.379 3.160 13 HB3 MET 2 HB1 MET 2 -11.913 4.645 2.978 14 HG2 MET 2 HG2 MET 2 -14.019 4.296 4.144 15 HG3 MET 2 HG1 MET 2 -14.199 6.039 4.333 16 HE1 MET 2 HE1 MET 2 -16.905 4.991 1.650 17 HE2 MET 2 HE2 MET 2 -16.644 5.712 3.240 18 HE3 MET 2 HE3 MET 2 -16.329 3.997 2.988 19 H ALA 3 HN ALA 3 -9.880 3.772 5.900 20 HA ALA 3 HA ALA 3 -7.618 5.207 4.695 21 HB1 ALA 3 HB1 ALA 3 -7.557 5.021 7.141 22 HB2 ALA 3 HB2 ALA 3 -6.220 4.147 6.392 23 HB3 ALA 3 HB3 ALA 3 -7.617 3.263 7.005 24 H ARG 4 HN ARG 4 -8.804 1.946 5.361 25 HA ARG 4 HA ARG 4 -6.799 0.678 3.770 26 HB2 ARG 4 HB2 ARG 4 -9.365 -0.403 4.932 27 HB3 ARG 4 HB1 ARG 4 -8.117 -1.383 4.176 28 HG2 ARG 4 HG2 ARG 4 -6.525 -0.712 5.888 29 HG3 ARG 4 HG1 ARG 4 -7.745 0.322 6.631 30 HD2 ARG 4 HD2 ARG 4 -7.557 -1.782 7.835 31 HD3 ARG 4 HD1 ARG 4 -9.136 -1.643 7.060 32 HE ARG 4 HE ARG 4 -7.484 -2.966 5.300 33 HH11 ARG 4 HH11 ARG 4 -8.652 -3.583 8.575 34 HH12 ARG 4 HH12 ARG 4 -8.771 -5.260 8.379 35 HH21 ARG 4 HH21 ARG 4 -7.623 -5.260 5.021 36 HH22 ARG 4 HH22 ARG 4 -8.172 -6.245 6.309 37 H ASN 5 HN ASN 5 -9.731 2.166 3.067 38 HA ASN 5 HA ASN 5 -10.388 0.705 0.690 39 HB2 ASN 5 HB2 ASN 5 -12.044 2.047 2.070 40 HB3 ASN 5 HB1 ASN 5 -11.259 3.498 1.460 41 HD21 ASN 5 HD21 ASN 5 -13.184 4.213 0.506 42 HD22 ASN 5 HD22 ASN 5 -13.800 3.496 -0.928 43 H LYS 6 HN LYS 6 -7.926 2.907 1.440 44 HA LYS 6 HA LYS 6 -7.641 3.829 -1.307 45 HB2 LYS 6 HB2 LYS 6 -6.166 4.567 1.214 46 HB3 LYS 6 HB1 LYS 6 -5.946 5.309 -0.361 47 HG2 LYS 6 HG2 LYS 6 -8.141 6.249 -0.285 48 HG3 LYS 6 HG1 LYS 6 -8.511 5.373 1.208 49 HD2 LYS 6 HD2 LYS 6 -6.809 6.571 2.382 50 HD3 LYS 6 HD1 LYS 6 -6.288 7.344 0.885 51 HE2 LYS 6 HE2 LYS 6 -8.462 8.488 0.738 52 HE3 LYS 6 HE1 LYS 6 -8.986 7.675 2.210 53 HZ1 LYS 6 HZ1 LYS 6 -6.707 9.573 2.042 54 HZ2 LYS 6 HZ2 LYS 6 -7.273 8.838 3.435 55 HZ3 LYS 6 HZ3 LYS 6 -8.230 9.966 2.643 56 HA PRO 7 HA PRO 7 -4.711 0.238 -1.139 57 HB2 PRO 7 HB2 PRO 7 -4.568 -0.074 -3.855 58 HB3 PRO 7 HB1 PRO 7 -5.786 -0.850 -2.840 59 HG2 PRO 7 HG2 PRO 7 -5.993 1.639 -4.477 60 HG3 PRO 7 HG1 PRO 7 -7.165 0.319 -4.294 61 HD2 PRO 7 HD2 PRO 7 -7.455 2.634 -2.985 62 HD3 PRO 7 HD1 PRO 7 -7.896 1.091 -2.243 63 H LYS 8 HN LYS 8 -4.583 3.327 -2.703 64 HA LYS 8 HA LYS 8 -1.960 3.154 -3.699 65 HB2 LYS 8 HB2 LYS 8 -1.950 5.605 -3.796 66 HB3 LYS 8 HB1 LYS 8 -3.434 4.943 -4.450 67 HG2 LYS 8 HG2 LYS 8 -4.579 5.519 -2.320 68 HG3 LYS 8 HG1 LYS 8 -3.073 6.234 -1.750 69 HD2 LYS 8 HD2 LYS 8 -3.091 7.819 -3.587 70 HD3 LYS 8 HD1 LYS 8 -4.555 7.074 -4.227 71 HE2 LYS 8 HE2 LYS 8 -5.768 7.712 -2.201 72 HE3 LYS 8 HE1 LYS 8 -4.305 8.449 -1.554 73 HZ1 LYS 8 HZ1 LYS 8 -5.775 10.107 -2.556 74 HZ2 LYS 8 HZ2 LYS 8 -5.713 9.305 -4.029 75 HZ3 LYS 8 HZ3 LYS 8 -4.320 10.009 -3.405 76 H ILE 9 HN ILE 9 -3.167 4.118 -0.504 77 HA ILE 9 HA ILE 9 -0.546 4.874 0.350 78 HB ILE 9 HB ILE 9 -1.424 5.114 2.612 79 HG12 ILE 9 HG12 ILE 9 -4.017 3.888 1.617 80 HG13 ILE 9 HG11 ILE 9 -2.856 3.070 2.653 81 HG21 ILE 9 HG21 ILE 9 -3.401 6.123 0.577 82 HG22 ILE 9 HG22 ILE 9 -1.912 6.919 1.083 83 HG23 ILE 9 HG23 ILE 9 -3.240 6.724 2.227 84 HD11 ILE 9 HD11 ILE 9 -4.742 3.921 3.930 85 HD12 ILE 9 HD12 ILE 9 -4.408 5.555 3.356 86 HD13 ILE 9 HD13 ILE 9 -3.249 4.733 4.403 87 H LEU 10 HN LEU 10 -2.475 2.029 0.401 88 HA LEU 10 HA LEU 10 -0.891 0.481 2.153 89 HB2 LEU 10 HB2 LEU 10 -2.719 -0.421 -0.070 90 HB3 LEU 10 HB1 LEU 10 -2.081 -1.446 1.196 91 HG LEU 10 HG LEU 10 -4.001 0.854 1.594 92 HD11 LEU 10 HD11 LEU 10 -5.041 -1.049 0.500 93 HD12 LEU 10 HD12 LEU 10 -5.614 -0.886 2.158 94 HD13 LEU 10 HD13 LEU 10 -4.421 -2.120 1.755 95 HD21 LEU 10 HD21 LEU 10 -2.540 0.578 3.532 96 HD22 LEU 10 HD22 LEU 10 -2.899 -1.147 3.573 97 HD23 LEU 10 HD23 LEU 10 -4.174 0.025 3.903 98 H LYS 11 HN LYS 11 -0.886 0.940 -1.336 99 HA LYS 11 HA LYS 11 1.133 -0.941 -1.923 100 HB2 LYS 11 HB2 LYS 11 -0.332 -0.133 -3.674 101 HB3 LYS 11 HB1 LYS 11 0.192 1.520 -3.410 102 HG2 LYS 11 HG2 LYS 11 1.181 0.627 -5.432 103 HG3 LYS 11 HG1 LYS 11 2.428 0.936 -4.228 104 HD2 LYS 11 HD2 LYS 11 2.431 -1.469 -3.655 105 HD3 LYS 11 HD1 LYS 11 1.221 -1.747 -4.914 106 HE2 LYS 11 HE2 LYS 11 2.789 -0.881 -6.591 107 HE3 LYS 11 HE1 LYS 11 3.985 -0.626 -5.325 108 HZ1 LYS 11 HZ1 LYS 11 4.372 -2.666 -6.542 109 HZ2 LYS 11 HZ2 LYS 11 2.871 -3.264 -6.122 110 HZ3 LYS 11 HZ3 LYS 11 4.037 -2.999 -4.933 111 H ARG 12 HN ARG 12 1.221 2.551 -1.294 112 HA ARG 12 HA ARG 12 3.966 2.839 -1.772 113 HB2 ARG 12 HB2 ARG 12 2.187 4.511 0.001 114 HB3 ARG 12 HB1 ARG 12 3.821 4.950 -0.476 115 HG2 ARG 12 HG2 ARG 12 3.085 4.900 -2.844 116 HG3 ARG 12 HG1 ARG 12 1.439 4.611 -2.283 117 HD2 ARG 12 HD2 ARG 12 1.719 6.959 -2.733 118 HD3 ARG 12 HD1 ARG 12 1.558 6.713 -0.993 119 HE ARG 12 HE ARG 12 4.251 6.785 -2.020 120 HH11 ARG 12 HH11 ARG 12 1.649 8.632 -0.519 121 HH12 ARG 12 HH12 ARG 12 2.646 9.892 0.027 122 HH21 ARG 12 HH21 ARG 12 5.624 8.508 -1.287 123 HH22 ARG 12 HH22 ARG 12 4.989 9.827 -0.422 124 H ILE 13 HN ILE 13 2.250 2.363 1.329 125 HA ILE 13 HA ILE 13 4.640 2.293 2.816 126 HB ILE 13 HB ILE 13 3.379 1.268 4.659 127 HG12 ILE 13 HG12 ILE 13 1.078 1.106 2.696 128 HG13 ILE 13 HG11 ILE 13 1.978 -0.270 3.315 129 HG21 ILE 13 HG21 ILE 13 3.245 3.668 4.359 130 HG22 ILE 13 HG22 ILE 13 1.711 3.044 4.968 131 HG23 ILE 13 HG23 ILE 13 1.873 3.475 3.266 132 HD11 ILE 13 HD11 ILE 13 1.173 0.228 5.566 133 HD12 ILE 13 HD12 ILE 13 -0.157 -0.037 4.437 134 HD13 ILE 13 HD13 ILE 13 0.266 1.602 4.934 135 H LEU 14 HN LEU 14 3.047 -0.122 0.924 136 HA LEU 14 HA LEU 14 4.447 -2.379 1.932 137 HB2 LEU 14 HB2 LEU 14 2.401 -2.565 0.556 138 HB3 LEU 14 HB1 LEU 14 3.263 -1.880 -0.801 139 HG LEU 14 HG LEU 14 4.766 -3.863 -0.791 140 HD11 LEU 14 HD11 LEU 14 4.078 -5.857 0.433 141 HD12 LEU 14 HD12 LEU 14 2.818 -4.926 1.244 142 HD13 LEU 14 HD13 LEU 14 4.517 -4.542 1.522 143 HD21 LEU 14 HD21 LEU 14 1.821 -4.425 -1.084 144 HD22 LEU 14 HD22 LEU 14 3.127 -5.388 -1.777 145 HD23 LEU 14 HD23 LEU 14 2.876 -3.727 -2.313 146 H ALA 15 HN ALA 15 5.082 0.105 -0.490 147 HA ALA 15 HA ALA 15 7.364 -1.225 -1.556 148 HB1 ALA 15 HB1 ALA 15 6.502 1.658 -1.792 149 HB2 ALA 15 HB2 ALA 15 6.055 0.357 -2.895 150 HB3 ALA 15 HB3 ALA 15 7.738 0.868 -2.769 151 H LYS 16 HN LYS 16 6.709 0.804 1.066 152 HA LYS 16 HA LYS 16 9.421 1.699 1.475 153 HB2 LYS 16 HB2 LYS 16 7.456 3.068 2.094 154 HB3 LYS 16 HB1 LYS 16 7.023 1.871 3.303 155 HG2 LYS 16 HG2 LYS 16 9.175 2.308 4.457 156 HG3 LYS 16 HG1 LYS 16 9.511 3.579 3.282 157 HD2 LYS 16 HD2 LYS 16 7.169 3.491 5.188 158 HD3 LYS 16 HD1 LYS 16 8.596 4.510 5.357 159 HE2 LYS 16 HE2 LYS 16 8.019 5.660 3.263 160 HE3 LYS 16 HE1 LYS 16 6.602 4.631 3.088 161 HZ1 LYS 16 HZ1 LYS 16 6.004 6.752 3.991 162 HZ2 LYS 16 HZ2 LYS 16 7.064 6.581 5.284 163 HZ3 LYS 16 HZ3 LYS 16 5.722 5.568 5.148 164 H ILE 17 HN ILE 17 7.156 -0.487 3.117 165 HA ILE 17 HA ILE 17 9.073 -1.268 5.084 166 HB ILE 17 HB ILE 17 6.351 -2.444 4.447 167 HG12 ILE 17 HG12 ILE 17 7.171 -0.477 6.600 168 HG13 ILE 17 HG11 ILE 17 6.314 -0.052 5.125 169 HG21 ILE 17 HG21 ILE 17 7.748 -4.030 5.670 170 HG22 ILE 17 HG22 ILE 17 6.449 -3.419 6.696 171 HG23 ILE 17 HG23 ILE 17 8.087 -2.805 6.894 172 HD11 ILE 17 HD11 ILE 17 4.419 -1.427 5.841 173 HD12 ILE 17 HD12 ILE 17 4.803 -0.180 7.027 174 HD13 ILE 17 HD13 ILE 17 5.287 -1.851 7.316 175 H PHE 18 HN PHE 18 7.658 -2.873 2.231 176 HA PHE 18 HA PHE 18 9.168 -5.269 2.833 177 HB2 PHE 18 HB2 PHE 18 6.795 -5.481 2.276 178 HB3 PHE 18 HB1 PHE 18 7.072 -4.694 0.733 179 HD1 PHE 18 HD1 PHE 18 7.362 -6.015 -1.138 180 HD2 PHE 18 HD2 PHE 18 8.179 -7.651 2.702 181 HE1 PHE 18 HE1 PHE 18 7.726 -8.218 -2.158 182 HE2 PHE 18 HE2 PHE 18 8.547 -9.853 1.687 183 HZ PHE 18 HZ PHE 18 8.318 -10.139 -0.747 184 H LYS 19 HN LYS 19 11.236 -4.966 2.313 185 HA LYS 19 HA LYS 19 11.781 -4.496 -0.484 186 HB2 LYS 19 HB2 LYS 19 13.978 -3.319 0.431 187 HB3 LYS 19 HB1 LYS 19 12.486 -2.425 0.231 188 HG2 LYS 19 HG2 LYS 19 13.402 -1.751 2.321 189 HG3 LYS 19 HG1 LYS 19 12.048 -2.805 2.694 190 HD2 LYS 19 HD2 LYS 19 13.649 -4.665 3.053 191 HD3 LYS 19 HD1 LYS 19 14.968 -3.540 2.737 192 HE2 LYS 19 HE2 LYS 19 14.691 -3.811 5.122 193 HE3 LYS 19 HE1 LYS 19 14.235 -2.176 4.649 194 HZ1 LYS 19 HZ1 LYS 19 11.902 -2.840 4.759 195 HZ2 LYS 19 HZ2 LYS 19 12.665 -3.107 6.219 196 HZ3 LYS 19 HZ3 LYS 19 12.337 -4.401 5.199 Start of MODEL 6 1 H2 PRO 1 HT1 PRO 1 -18.708 -4.346 2.845 2 H3 PRO 1 HT2 PRO 1 -19.405 -5.598 2.093 3 HA PRO 1 HA PRO 1 -17.244 -5.224 1.224 4 HB2 PRO 1 HB2 PRO 1 -18.149 -4.100 -1.119 5 HB3 PRO 1 HB1 PRO 1 -18.274 -5.816 -0.713 6 HG2 PRO 1 HG2 PRO 1 -20.331 -3.661 -0.463 7 HG3 PRO 1 HG1 PRO 1 -20.535 -5.356 -0.938 8 HD2 PRO 1 HD2 PRO 1 -21.258 -4.557 1.474 9 HD3 PRO 1 HD1 PRO 1 -20.509 -6.116 1.200 10 H MET 2 HN MET 2 -15.780 -3.752 1.876 11 HA MET 2 HA MET 2 -15.866 -1.117 0.736 12 HB2 MET 2 HB2 MET 2 -15.568 0.030 2.923 13 HB3 MET 2 HB1 MET 2 -17.160 -0.687 2.749 14 HG2 MET 2 HG2 MET 2 -16.446 -2.584 4.138 15 HG3 MET 2 HG1 MET 2 -14.863 -1.844 4.328 16 HE1 MET 2 HE1 MET 2 -15.599 1.214 4.663 17 HE2 MET 2 HE2 MET 2 -14.445 0.407 5.728 18 HE3 MET 2 HE3 MET 2 -15.754 1.372 6.412 19 H ALA 3 HN ALA 3 -13.827 -0.373 0.396 20 HA ALA 3 HA ALA 3 -11.657 -2.136 1.059 21 HB1 ALA 3 HB1 ALA 3 -11.723 -1.030 -1.145 22 HB2 ALA 3 HB2 ALA 3 -10.293 -0.542 -0.236 23 HB3 ALA 3 HB3 ALA 3 -11.672 0.548 -0.354 24 H ARG 4 HN ARG 4 -10.565 -1.972 2.882 25 HA ARG 4 HA ARG 4 -11.177 0.195 4.669 26 HB2 ARG 4 HB2 ARG 4 -9.320 -2.154 5.101 27 HB3 ARG 4 HB1 ARG 4 -9.936 -1.056 6.318 28 HG2 ARG 4 HG2 ARG 4 -11.538 -3.050 4.732 29 HG3 ARG 4 HG1 ARG 4 -11.116 -3.153 6.439 30 HD2 ARG 4 HD2 ARG 4 -12.936 -1.163 5.109 31 HD3 ARG 4 HD1 ARG 4 -13.382 -2.416 6.263 32 HE ARG 4 HE ARG 4 -11.608 -0.196 6.996 33 HH11 ARG 4 HH11 ARG 4 -14.519 -2.122 7.651 34 HH12 ARG 4 HH12 ARG 4 -14.913 -1.276 9.063 35 HH21 ARG 4 HH21 ARG 4 -12.203 1.005 8.900 36 HH22 ARG 4 HH22 ARG 4 -13.564 0.555 9.797 37 H ASN 5 HN ASN 5 -8.137 -1.316 3.967 38 HA ASN 5 HA ASN 5 -6.745 1.185 4.328 39 HB2 ASN 5 HB2 ASN 5 -5.770 -0.897 5.209 40 HB3 ASN 5 HB1 ASN 5 -5.723 -1.576 3.589 41 HD21 ASN 5 HD21 ASN 5 -3.489 -1.908 3.971 42 HD22 ASN 5 HD22 ASN 5 -2.354 -0.626 3.793 43 H LYS 6 HN LYS 6 -6.496 2.561 2.786 44 HA LYS 6 HA LYS 6 -7.563 2.168 0.218 45 HB2 LYS 6 HB2 LYS 6 -5.634 4.354 1.020 46 HB3 LYS 6 HB1 LYS 6 -6.791 4.393 -0.299 47 HG2 LYS 6 HG2 LYS 6 -7.442 4.325 2.637 48 HG3 LYS 6 HG1 LYS 6 -7.548 5.729 1.583 49 HD2 LYS 6 HD2 LYS 6 -9.307 4.679 0.301 50 HD3 LYS 6 HD1 LYS 6 -9.132 3.187 1.230 51 HE2 LYS 6 HE2 LYS 6 -9.963 5.860 2.339 52 HE3 LYS 6 HE1 LYS 6 -11.043 4.511 2.007 53 HZ1 LYS 6 HZ1 LYS 6 -9.711 3.199 3.653 54 HZ2 LYS 6 HZ2 LYS 6 -10.532 4.493 4.302 55 HZ3 LYS 6 HZ3 LYS 6 -8.883 4.619 4.041 56 HA PRO 7 HA PRO 7 -4.442 -0.331 -1.715 57 HB2 PRO 7 HB2 PRO 7 -5.471 1.147 -4.098 58 HB3 PRO 7 HB1 PRO 7 -5.168 -0.584 -3.895 59 HG2 PRO 7 HG2 PRO 7 -7.640 0.354 -3.759 60 HG3 PRO 7 HG1 PRO 7 -7.097 -0.908 -2.641 61 HD2 PRO 7 HD2 PRO 7 -7.583 1.987 -2.135 62 HD3 PRO 7 HD1 PRO 7 -7.776 0.590 -1.057 63 H LYS 8 HN LYS 8 -4.664 3.089 -2.445 64 HA LYS 8 HA LYS 8 -2.179 3.283 -3.809 65 HB2 LYS 8 HB2 LYS 8 -3.770 5.456 -2.451 66 HB3 LYS 8 HB1 LYS 8 -2.480 5.704 -3.617 67 HG2 LYS 8 HG2 LYS 8 -3.805 4.667 -5.344 68 HG3 LYS 8 HG1 LYS 8 -5.068 4.280 -4.173 69 HD2 LYS 8 HD2 LYS 8 -5.342 6.706 -3.748 70 HD3 LYS 8 HD1 LYS 8 -4.171 7.028 -5.023 71 HE2 LYS 8 HE2 LYS 8 -5.614 5.927 -6.654 72 HE3 LYS 8 HE1 LYS 8 -6.773 5.544 -5.384 73 HZ1 LYS 8 HZ1 LYS 8 -7.458 7.487 -6.631 74 HZ2 LYS 8 HZ2 LYS 8 -6.010 8.272 -6.256 75 HZ3 LYS 8 HZ3 LYS 8 -7.098 7.917 -5.037 76 H ILE 9 HN ILE 9 -3.115 4.406 -0.498 77 HA ILE 9 HA ILE 9 -0.412 4.889 0.163 78 HB ILE 9 HB ILE 9 -2.280 6.064 1.354 79 HG12 ILE 9 HG12 ILE 9 -1.350 5.922 3.652 80 HG13 ILE 9 HG11 ILE 9 -0.450 4.489 3.174 81 HG21 ILE 9 HG21 ILE 9 -3.552 4.968 3.105 82 HG22 ILE 9 HG22 ILE 9 -2.720 3.450 2.776 83 HG23 ILE 9 HG23 ILE 9 -3.795 4.135 1.563 84 HD11 ILE 9 HD11 ILE 9 0.954 6.474 3.194 85 HD12 ILE 9 HD12 ILE 9 -0.103 7.249 2.012 86 HD13 ILE 9 HD13 ILE 9 0.821 5.813 1.568 87 H LEU 10 HN LEU 10 -2.504 2.140 0.454 88 HA LEU 10 HA LEU 10 -1.106 0.421 2.122 89 HB2 LEU 10 HB2 LEU 10 -3.344 0.026 1.062 90 HB3 LEU 10 HB1 LEU 10 -2.551 -0.228 -0.465 91 HG LEU 10 HG LEU 10 -2.208 -2.062 1.934 92 HD11 LEU 10 HD11 LEU 10 -4.529 -2.003 1.229 93 HD12 LEU 10 HD12 LEU 10 -3.782 -3.538 0.788 94 HD13 LEU 10 HD13 LEU 10 -4.046 -2.302 -0.440 95 HD21 LEU 10 HD21 LEU 10 -1.626 -2.501 -1.008 96 HD22 LEU 10 HD22 LEU 10 -1.414 -3.691 0.276 97 HD23 LEU 10 HD23 LEU 10 -0.408 -2.243 0.240 98 H LYS 11 HN LYS 11 -0.835 0.936 -1.337 99 HA LYS 11 HA LYS 11 1.283 -0.819 -1.850 100 HB2 LYS 11 HB2 LYS 11 -0.288 0.037 -3.527 101 HB3 LYS 11 HB1 LYS 11 0.390 1.637 -3.333 102 HG2 LYS 11 HG2 LYS 11 2.462 0.952 -4.294 103 HG3 LYS 11 HG1 LYS 11 1.947 -0.741 -4.310 104 HD2 LYS 11 HD2 LYS 11 0.105 -0.155 -5.807 105 HD3 LYS 11 HD1 LYS 11 0.652 1.521 -5.806 106 HE2 LYS 11 HE2 LYS 11 2.668 0.936 -6.904 107 HE3 LYS 11 HE1 LYS 11 2.343 -0.789 -6.715 108 HZ1 LYS 11 HZ1 LYS 11 0.717 1.090 -8.344 109 HZ2 LYS 11 HZ2 LYS 11 0.448 -0.561 -8.153 110 HZ3 LYS 11 HZ3 LYS 11 1.833 -0.032 -8.939 111 H ARG 12 HN ARG 12 1.162 2.606 -1.070 112 HA ARG 12 HA ARG 12 3.893 3.114 -1.492 113 HB2 ARG 12 HB2 ARG 12 1.651 4.597 -0.625 114 HB3 ARG 12 HB1 ARG 12 2.888 4.781 0.615 115 HG2 ARG 12 HG2 ARG 12 3.089 6.548 -0.997 116 HG3 ARG 12 HG1 ARG 12 4.487 5.481 -1.134 117 HD2 ARG 12 HD2 ARG 12 3.760 6.004 -3.339 118 HD3 ARG 12 HD1 ARG 12 3.311 4.333 -3.025 119 HE ARG 12 HE ARG 12 1.208 6.106 -2.352 120 HH11 ARG 12 HH11 ARG 12 2.679 4.419 -5.092 121 HH12 ARG 12 HH12 ARG 12 1.351 4.643 -6.123 122 HH21 ARG 12 HH21 ARG 12 -0.578 6.411 -3.730 123 HH22 ARG 12 HH22 ARG 12 -0.574 5.828 -5.341 124 H ILE 13 HN ILE 13 2.145 2.370 1.510 125 HA ILE 13 HA ILE 13 4.343 2.340 3.249 126 HB ILE 13 HB ILE 13 1.849 0.598 3.399 127 HG12 ILE 13 HG12 ILE 13 2.354 3.280 4.709 128 HG13 ILE 13 HG11 ILE 13 1.432 3.075 3.225 129 HG21 ILE 13 HG21 ILE 13 2.301 0.527 5.813 130 HG22 ILE 13 HG22 ILE 13 3.768 1.473 5.566 131 HG23 ILE 13 HG23 ILE 13 3.645 -0.152 4.893 132 HD11 ILE 13 HD11 ILE 13 -0.013 3.308 5.183 133 HD12 ILE 13 HD12 ILE 13 0.727 1.871 5.897 134 HD13 ILE 13 HD13 ILE 13 -0.209 1.736 4.411 135 H LEU 14 HN LEU 14 2.898 -0.176 1.282 136 HA LEU 14 HA LEU 14 4.582 -2.290 2.018 137 HB2 LEU 14 HB2 LEU 14 2.410 -2.581 0.919 138 HB3 LEU 14 HB1 LEU 14 3.029 -1.818 -0.526 139 HG LEU 14 HG LEU 14 4.608 -3.710 -0.809 140 HD11 LEU 14 HD11 LEU 14 3.098 -4.913 1.502 141 HD12 LEU 14 HD12 LEU 14 4.795 -4.431 1.500 142 HD13 LEU 14 HD13 LEU 14 4.253 -5.760 0.476 143 HD21 LEU 14 HD21 LEU 14 1.695 -4.463 -0.614 144 HD22 LEU 14 HD22 LEU 14 2.922 -5.330 -1.536 145 HD23 LEU 14 HD23 LEU 14 2.479 -3.685 -1.988 146 H ALA 15 HN ALA 15 4.960 0.362 -0.287 147 HA ALA 15 HA ALA 15 6.969 -0.897 -1.854 148 HB1 ALA 15 HB1 ALA 15 6.269 2.030 -1.664 149 HB2 ALA 15 HB2 ALA 15 5.509 0.867 -2.750 150 HB3 ALA 15 HB3 ALA 15 7.218 1.260 -2.934 151 H LYS 16 HN LYS 16 7.006 0.612 1.140 152 HA LYS 16 HA LYS 16 9.761 1.407 0.983 153 HB2 LYS 16 HB2 LYS 16 7.869 1.244 3.331 154 HB3 LYS 16 HB1 LYS 16 9.545 1.761 3.481 155 HG2 LYS 16 HG2 LYS 16 9.123 3.595 1.915 156 HG3 LYS 16 HG1 LYS 16 7.450 3.074 1.768 157 HD2 LYS 16 HD2 LYS 16 8.734 3.967 4.357 158 HD3 LYS 16 HD1 LYS 16 7.809 5.026 3.297 159 HE2 LYS 16 HE2 LYS 16 5.862 3.550 3.574 160 HE3 LYS 16 HE1 LYS 16 6.782 2.559 4.712 161 HZ1 LYS 16 HZ1 LYS 16 7.003 4.551 6.120 162 HZ2 LYS 16 HZ2 LYS 16 5.390 4.127 5.892 163 HZ3 LYS 16 HZ3 LYS 16 6.037 5.420 5.044 164 H ILE 17 HN ILE 17 8.011 -1.401 2.041 165 HA ILE 17 HA ILE 17 10.531 -2.573 2.932 166 HB ILE 17 HB ILE 17 8.708 -3.006 4.476 167 HG12 ILE 17 HG12 ILE 17 9.352 -5.552 2.977 168 HG13 ILE 17 HG11 ILE 17 10.373 -4.804 4.194 169 HG21 ILE 17 HG21 ILE 17 6.796 -2.780 3.023 170 HG22 ILE 17 HG22 ILE 17 6.712 -4.313 3.896 171 HG23 ILE 17 HG23 ILE 17 7.208 -4.288 2.204 172 HD11 ILE 17 HD11 ILE 17 9.155 -6.684 5.113 173 HD12 ILE 17 HD12 ILE 17 7.623 -5.943 4.646 174 HD13 ILE 17 HD13 ILE 17 8.635 -5.181 5.875 175 H PHE 18 HN PHE 18 7.964 -3.156 0.619 176 HA PHE 18 HA PHE 18 9.524 -5.088 -0.852 177 HB2 PHE 18 HB2 PHE 18 7.149 -5.566 -0.388 178 HB3 PHE 18 HB1 PHE 18 6.689 -4.016 -1.055 179 HD1 PHE 18 HD1 PHE 18 6.021 -3.867 -3.269 180 HD2 PHE 18 HD2 PHE 18 8.185 -7.290 -1.976 181 HE1 PHE 18 HE1 PHE 18 5.562 -4.959 -5.421 182 HE2 PHE 18 HE2 PHE 18 7.731 -8.382 -4.135 183 HZ PHE 18 HZ PHE 18 6.425 -7.225 -5.853 184 H LYS 19 HN LYS 19 11.159 -3.452 -1.310 185 HA LYS 19 HA LYS 19 10.614 -1.061 -2.625 186 HB2 LYS 19 HB2 LYS 19 13.082 -2.726 -2.362 187 HB3 LYS 19 HB1 LYS 19 13.003 -1.028 -2.815 188 HG2 LYS 19 HG2 LYS 19 12.320 -0.368 -0.667 189 HG3 LYS 19 HG1 LYS 19 11.936 -2.030 -0.194 190 HD2 LYS 19 HD2 LYS 19 14.204 -2.652 -0.285 191 HD3 LYS 19 HD1 LYS 19 14.632 -1.110 -1.005 192 HE2 LYS 19 HE2 LYS 19 15.271 -1.265 1.320 193 HE3 LYS 19 HE1 LYS 19 14.062 0.008 1.115 194 HZ1 LYS 19 HZ1 LYS 19 13.524 -2.757 2.094 195 HZ2 LYS 19 HZ2 LYS 19 12.413 -1.455 2.063 196 HZ3 LYS 19 HZ3 LYS 19 13.745 -1.416 3.070 Start of MODEL 7 1 H2 PRO 1 HT1 PRO 1 -13.855 14.490 -1.168 2 H3 PRO 1 HT2 PRO 1 -12.754 15.564 -0.741 3 HA PRO 1 HA PRO 1 -11.984 14.378 -2.604 4 HB2 PRO 1 HB2 PRO 1 -10.388 12.615 -1.108 5 HB3 PRO 1 HB1 PRO 1 -9.962 14.251 -1.625 6 HG2 PRO 1 HG2 PRO 1 -11.006 13.314 0.993 7 HG3 PRO 1 HG1 PRO 1 -9.931 14.671 0.635 8 HD2 PRO 1 HD2 PRO 1 -12.470 15.108 1.309 9 HD3 PRO 1 HD1 PRO 1 -11.631 16.084 0.105 10 H MET 2 HN MET 2 -11.253 12.056 -3.292 11 HA MET 2 HA MET 2 -13.511 10.255 -2.807 12 HB2 MET 2 HB2 MET 2 -11.453 10.296 -5.022 13 HB3 MET 2 HB1 MET 2 -12.747 9.119 -4.880 14 HG2 MET 2 HG2 MET 2 -14.396 10.903 -5.131 15 HG3 MET 2 HG1 MET 2 -13.097 12.081 -5.263 16 HE1 MET 2 HE1 MET 2 -11.407 11.079 -8.667 17 HE2 MET 2 HE2 MET 2 -10.939 10.512 -7.067 18 HE3 MET 2 HE3 MET 2 -11.388 12.202 -7.305 19 H ALA 3 HN ALA 3 -13.085 8.927 -1.219 20 HA ALA 3 HA ALA 3 -12.211 7.350 0.078 21 HB1 ALA 3 HB1 ALA 3 -10.549 5.781 -0.766 22 HB2 ALA 3 HB2 ALA 3 -10.158 6.875 -2.091 23 HB3 ALA 3 HB3 ALA 3 -11.749 6.114 -2.017 24 H ARG 4 HN ARG 4 -11.348 7.922 1.895 25 HA ARG 4 HA ARG 4 -9.238 9.835 2.042 26 HB2 ARG 4 HB2 ARG 4 -10.565 8.155 4.165 27 HB3 ARG 4 HB1 ARG 4 -9.323 9.344 4.514 28 HG2 ARG 4 HG2 ARG 4 -10.765 11.097 3.580 29 HG3 ARG 4 HG1 ARG 4 -12.018 9.893 3.282 30 HD2 ARG 4 HD2 ARG 4 -12.450 11.109 5.352 31 HD3 ARG 4 HD1 ARG 4 -12.123 9.405 5.670 32 HE ARG 4 HE ARG 4 -9.725 10.808 5.849 33 HH11 ARG 4 HH11 ARG 4 -12.791 10.608 7.597 34 HH12 ARG 4 HH12 ARG 4 -12.135 10.970 9.124 35 HH21 ARG 4 HH21 ARG 4 -8.779 11.253 7.966 36 HH22 ARG 4 HH22 ARG 4 -9.772 11.326 9.339 37 H ASN 5 HN ASN 5 -9.464 6.539 3.142 38 HA ASN 5 HA ASN 5 -6.564 6.390 2.997 39 HB2 ASN 5 HB2 ASN 5 -7.660 5.562 5.079 40 HB3 ASN 5 HB1 ASN 5 -8.507 4.352 4.125 41 HD21 ASN 5 HD21 ASN 5 -5.405 5.390 5.296 42 HD22 ASN 5 HD22 ASN 5 -4.598 3.875 5.130 43 H LYS 6 HN LYS 6 -6.334 6.404 0.906 44 HA LYS 6 HA LYS 6 -7.717 4.749 -0.942 45 HB2 LYS 6 HB2 LYS 6 -5.146 6.301 -1.168 46 HB3 LYS 6 HB1 LYS 6 -5.940 5.501 -2.511 47 HG2 LYS 6 HG2 LYS 6 -7.859 6.944 -2.283 48 HG3 LYS 6 HG1 LYS 6 -7.152 7.696 -0.850 49 HD2 LYS 6 HD2 LYS 6 -5.320 8.559 -2.151 50 HD3 LYS 6 HD1 LYS 6 -5.888 7.698 -3.579 51 HE2 LYS 6 HE2 LYS 6 -6.469 10.066 -3.666 52 HE3 LYS 6 HE1 LYS 6 -7.909 9.051 -3.604 53 HZ1 LYS 6 HZ1 LYS 6 -8.176 9.582 -1.289 54 HZ2 LYS 6 HZ2 LYS 6 -8.009 11.021 -2.159 55 HZ3 LYS 6 HZ3 LYS 6 -6.715 10.427 -1.274 56 HA PRO 7 HA PRO 7 -5.357 0.960 -0.684 57 HB2 PRO 7 HB2 PRO 7 -5.182 0.384 -3.396 58 HB3 PRO 7 HB1 PRO 7 -6.560 -0.026 -2.369 59 HG2 PRO 7 HG2 PRO 7 -6.205 2.293 -4.224 60 HG3 PRO 7 HG1 PRO 7 -7.645 1.299 -3.935 61 HD2 PRO 7 HD2 PRO 7 -7.409 3.734 -2.867 62 HD3 PRO 7 HD1 PRO 7 -8.162 2.406 -1.959 63 H LYS 8 HN LYS 8 -4.473 3.584 -2.702 64 HA LYS 8 HA LYS 8 -1.869 2.866 -3.439 65 HB2 LYS 8 HB2 LYS 8 -3.174 4.742 -4.396 66 HB3 LYS 8 HB1 LYS 8 -2.952 5.630 -2.902 67 HG2 LYS 8 HG2 LYS 8 -0.550 5.694 -3.274 68 HG3 LYS 8 HG1 LYS 8 -0.742 4.742 -4.749 69 HD2 LYS 8 HD2 LYS 8 -2.169 6.528 -5.677 70 HD3 LYS 8 HD1 LYS 8 -1.894 7.476 -4.217 71 HE2 LYS 8 HE2 LYS 8 0.503 7.517 -4.701 72 HE3 LYS 8 HE1 LYS 8 0.228 6.566 -6.157 73 HZ1 LYS 8 HZ1 LYS 8 -1.121 8.338 -7.035 74 HZ2 LYS 8 HZ2 LYS 8 0.410 8.937 -6.652 75 HZ3 LYS 8 HZ3 LYS 8 -0.911 9.255 -5.647 76 H ILE 9 HN ILE 9 -3.188 4.117 -0.419 77 HA ILE 9 HA ILE 9 -0.736 5.029 0.697 78 HB ILE 9 HB ILE 9 -3.273 4.090 2.086 79 HG12 ILE 9 HG12 ILE 9 -3.715 5.992 0.616 80 HG13 ILE 9 HG11 ILE 9 -3.838 6.483 2.298 81 HG21 ILE 9 HG21 ILE 9 -2.509 5.352 4.042 82 HG22 ILE 9 HG22 ILE 9 -0.994 5.708 3.215 83 HG23 ILE 9 HG23 ILE 9 -1.400 4.042 3.630 84 HD11 ILE 9 HD11 ILE 9 -1.603 7.497 2.143 85 HD12 ILE 9 HD12 ILE 9 -2.735 8.186 0.982 86 HD13 ILE 9 HD13 ILE 9 -1.520 7.029 0.443 87 H LEU 10 HN LEU 10 -2.520 2.001 0.844 88 HA LEU 10 HA LEU 10 -0.645 0.691 2.524 89 HB2 LEU 10 HB2 LEU 10 -2.886 -0.352 0.805 90 HB3 LEU 10 HB1 LEU 10 -1.815 -1.430 1.670 91 HG LEU 10 HG LEU 10 -3.842 -1.212 2.901 92 HD11 LEU 10 HD11 LEU 10 -1.695 0.380 4.271 93 HD12 LEU 10 HD12 LEU 10 -1.812 -1.377 4.198 94 HD13 LEU 10 HD13 LEU 10 -3.047 -0.448 5.043 95 HD21 LEU 10 HD21 LEU 10 -4.667 0.918 3.778 96 HD22 LEU 10 HD22 LEU 10 -4.635 0.926 2.012 97 HD23 LEU 10 HD23 LEU 10 -3.381 1.769 2.922 98 H LYS 11 HN LYS 11 -1.028 1.053 -0.898 99 HA LYS 11 HA LYS 11 0.906 -0.851 -1.700 100 HB2 LYS 11 HB2 LYS 11 -0.809 0.172 -3.203 101 HB3 LYS 11 HB1 LYS 11 0.051 1.697 -3.090 102 HG2 LYS 11 HG2 LYS 11 1.997 0.677 -4.151 103 HG3 LYS 11 HG1 LYS 11 1.123 -0.851 -4.272 104 HD2 LYS 11 HD2 LYS 11 -0.582 0.261 -5.658 105 HD3 LYS 11 HD1 LYS 11 0.340 1.761 -5.566 106 HE2 LYS 11 HE2 LYS 11 1.297 -0.838 -6.757 107 HE3 LYS 11 HE1 LYS 11 0.767 0.576 -7.664 108 HZ1 LYS 11 HZ1 LYS 11 3.109 0.457 -5.842 109 HZ2 LYS 11 HZ2 LYS 11 2.618 1.821 -6.700 110 HZ3 LYS 11 HZ3 LYS 11 3.172 0.459 -7.524 111 H ARG 12 HN ARG 12 1.012 2.590 -1.023 112 HA ARG 12 HA ARG 12 3.670 3.164 -1.550 113 HB2 ARG 12 HB2 ARG 12 1.675 4.319 0.338 114 HB3 ARG 12 HB1 ARG 12 3.330 4.914 0.306 115 HG2 ARG 12 HG2 ARG 12 3.135 5.624 -1.926 116 HG3 ARG 12 HG1 ARG 12 1.626 4.744 -2.152 117 HD2 ARG 12 HD2 ARG 12 1.386 7.223 -1.846 118 HD3 ARG 12 HD1 ARG 12 0.438 6.226 -0.755 119 HE ARG 12 HE ARG 12 2.499 6.611 0.760 120 HH11 ARG 12 HH11 ARG 12 1.237 9.071 -1.467 121 HH12 ARG 12 HH12 ARG 12 1.373 10.343 -0.356 122 HH21 ARG 12 HH21 ARG 12 2.655 8.364 2.280 123 HH22 ARG 12 HH22 ARG 12 2.202 9.951 1.841 124 H ILE 13 HN ILE 13 2.298 2.377 1.656 125 HA ILE 13 HA ILE 13 4.844 2.245 2.851 126 HB ILE 13 HB ILE 13 2.819 2.527 4.233 127 HG12 ILE 13 HG12 ILE 13 3.360 0.953 6.078 128 HG13 ILE 13 HG11 ILE 13 4.371 0.036 4.969 129 HG21 ILE 13 HG21 ILE 13 1.358 0.633 4.773 130 HG22 ILE 13 HG22 ILE 13 2.201 -0.329 3.555 131 HG23 ILE 13 HG23 ILE 13 1.290 1.100 3.071 132 HD11 ILE 13 HD11 ILE 13 5.842 1.962 4.702 133 HD12 ILE 13 HD12 ILE 13 5.688 1.509 6.399 134 HD13 ILE 13 HD13 ILE 13 4.808 2.904 5.775 135 H LEU 14 HN LEU 14 3.033 -0.112 1.083 136 HA LEU 14 HA LEU 14 4.593 -2.364 1.790 137 HB2 LEU 14 HB2 LEU 14 2.348 -2.532 0.778 138 HB3 LEU 14 HB1 LEU 14 2.982 -1.862 -0.710 139 HG LEU 14 HG LEU 14 4.477 -3.842 -0.903 140 HD11 LEU 14 HD11 LEU 14 2.854 -4.869 1.417 141 HD12 LEU 14 HD12 LEU 14 4.576 -4.485 1.431 142 HD13 LEU 14 HD13 LEU 14 3.981 -5.819 0.451 143 HD21 LEU 14 HD21 LEU 14 2.725 -5.364 -1.634 144 HD22 LEU 14 HD22 LEU 14 2.354 -3.706 -2.113 145 HD23 LEU 14 HD23 LEU 14 1.529 -4.437 -0.734 146 H ALA 15 HN ALA 15 4.917 0.210 -0.591 147 HA ALA 15 HA ALA 15 6.967 -1.114 -2.098 148 HB1 ALA 15 HB1 ALA 15 5.491 0.539 -3.141 149 HB2 ALA 15 HB2 ALA 15 7.177 1.044 -3.264 150 HB3 ALA 15 HB3 ALA 15 6.118 1.784 -2.064 151 H LYS 16 HN LYS 16 6.826 0.561 0.793 152 HA LYS 16 HA LYS 16 9.502 1.581 0.783 153 HB2 LYS 16 HB2 LYS 16 7.574 2.525 2.154 154 HB3 LYS 16 HB1 LYS 16 7.713 1.105 3.166 155 HG2 LYS 16 HG2 LYS 16 8.863 2.913 4.243 156 HG3 LYS 16 HG1 LYS 16 10.048 1.728 3.697 157 HD2 LYS 16 HD2 LYS 16 10.862 3.962 3.213 158 HD3 LYS 16 HD1 LYS 16 10.489 3.153 1.695 159 HE2 LYS 16 HE2 LYS 16 8.299 4.316 1.665 160 HE3 LYS 16 HE1 LYS 16 8.756 5.154 3.138 161 HZ1 LYS 16 HZ1 LYS 16 10.591 6.178 1.921 162 HZ2 LYS 16 HZ2 LYS 16 9.113 6.516 1.192 163 HZ3 LYS 16 HZ3 LYS 16 10.125 5.366 0.516 164 H ILE 17 HN ILE 17 7.768 -1.151 2.178 165 HA ILE 17 HA ILE 17 10.180 -2.282 3.319 166 HB ILE 17 HB ILE 17 8.658 -4.090 4.158 167 HG12 ILE 17 HG12 ILE 17 6.488 -2.341 2.954 168 HG13 ILE 17 HG11 ILE 17 6.950 -3.932 2.370 169 HG21 ILE 17 HG21 ILE 17 7.536 -2.670 5.821 170 HG22 ILE 17 HG22 ILE 17 7.881 -1.253 4.831 171 HG23 ILE 17 HG23 ILE 17 9.206 -2.173 5.543 172 HD11 ILE 17 HD11 ILE 17 4.889 -3.982 3.666 173 HD12 ILE 17 HD12 ILE 17 5.747 -3.322 5.059 174 HD13 ILE 17 HD13 ILE 17 6.159 -4.923 4.445 175 H PHE 18 HN PHE 18 8.063 -2.879 0.587 176 HA PHE 18 HA PHE 18 9.789 -5.100 -0.182 177 HB2 PHE 18 HB2 PHE 18 7.461 -5.815 0.277 178 HB3 PHE 18 HB1 PHE 18 6.871 -4.613 -0.856 179 HD1 PHE 18 HD1 PHE 18 6.414 -5.262 -3.008 180 HD2 PHE 18 HD2 PHE 18 9.153 -7.555 -0.713 181 HE1 PHE 18 HE1 PHE 18 6.548 -6.912 -4.826 182 HE2 PHE 18 HE2 PHE 18 9.292 -9.213 -2.526 183 HZ PHE 18 HZ PHE 18 7.984 -8.887 -4.587 184 H LYS 19 HN LYS 19 11.215 -4.205 -1.432 185 HA LYS 19 HA LYS 19 10.845 -1.890 -3.002 186 HB2 LYS 19 HB2 LYS 19 12.997 -3.969 -3.396 187 HB3 LYS 19 HB1 LYS 19 13.063 -2.265 -3.794 188 HG2 LYS 19 HG2 LYS 19 13.109 -3.491 -1.042 189 HG3 LYS 19 HG1 LYS 19 14.432 -2.688 -1.880 190 HD2 LYS 19 HD2 LYS 19 13.099 -0.596 -1.841 191 HD3 LYS 19 HD1 LYS 19 11.880 -1.437 -0.885 192 HE2 LYS 19 HE2 LYS 19 13.590 -1.945 0.818 193 HE3 LYS 19 HE1 LYS 19 14.761 -1.020 -0.110 194 HZ1 LYS 19 HZ1 LYS 19 12.303 -0.009 1.173 195 HZ2 LYS 19 HZ2 LYS 19 13.288 0.919 0.168 196 HZ3 LYS 19 HZ3 LYS 19 13.894 0.309 1.640 Start of MODEL 8 1 H2 PRO 1 HT1 PRO 1 -13.189 10.362 4.370 2 H3 PRO 1 HT2 PRO 1 -14.761 10.842 4.487 3 HA PRO 1 HA PRO 1 -15.007 11.043 2.135 4 HB2 PRO 1 HB2 PRO 1 -13.065 9.297 1.253 5 HB3 PRO 1 HB1 PRO 1 -12.995 11.058 1.046 6 HG2 PRO 1 HG2 PRO 1 -11.719 9.337 3.138 7 HG3 PRO 1 HG1 PRO 1 -11.047 10.738 2.283 8 HD2 PRO 1 HD2 PRO 1 -11.871 11.043 4.768 9 HD3 PRO 1 HD1 PRO 1 -12.208 12.245 3.539 10 H MET 2 HN MET 2 -15.268 8.753 0.912 11 HA MET 2 HA MET 2 -16.263 6.880 2.897 12 HB2 MET 2 HB2 MET 2 -16.364 6.846 -0.122 13 HB3 MET 2 HB1 MET 2 -17.024 5.567 0.882 14 HG2 MET 2 HG2 MET 2 -18.586 7.138 1.870 15 HG3 MET 2 HG1 MET 2 -17.925 8.444 0.890 16 HE1 MET 2 HE1 MET 2 -20.309 9.065 -0.051 17 HE2 MET 2 HE2 MET 2 -21.024 7.808 0.959 18 HE3 MET 2 HE3 MET 2 -21.424 7.894 -0.754 19 H ALA 3 HN ALA 3 -13.799 7.102 0.427 20 HA ALA 3 HA ALA 3 -12.764 4.488 1.047 21 HB1 ALA 3 HB1 ALA 3 -11.053 4.998 -0.625 22 HB2 ALA 3 HB2 ALA 3 -11.623 6.663 -0.714 23 HB3 ALA 3 HB3 ALA 3 -12.657 5.352 -1.270 24 H ARG 4 HN ARG 4 -12.070 4.517 3.114 25 HA ARG 4 HA ARG 4 -10.270 6.684 3.846 26 HB2 ARG 4 HB2 ARG 4 -10.450 6.129 6.146 27 HB3 ARG 4 HB1 ARG 4 -12.066 6.020 5.491 28 HG2 ARG 4 HG2 ARG 4 -10.260 3.674 6.085 29 HG3 ARG 4 HG1 ARG 4 -11.521 4.275 7.151 30 HD2 ARG 4 HD2 ARG 4 -11.886 3.127 4.400 31 HD3 ARG 4 HD1 ARG 4 -12.240 2.305 5.915 32 HE ARG 4 HE ARG 4 -13.634 4.791 5.541 33 HH11 ARG 4 HH11 ARG 4 -13.717 1.289 4.981 34 HH12 ARG 4 HH12 ARG 4 -15.401 1.194 4.835 35 HH21 ARG 4 HH21 ARG 4 -16.005 4.673 5.317 36 HH22 ARG 4 HH22 ARG 4 -16.727 3.161 5.037 37 H ASN 5 HN ASN 5 -10.223 3.324 3.152 38 HA ASN 5 HA ASN 5 -7.332 3.323 3.649 39 HB2 ASN 5 HB2 ASN 5 -8.599 1.637 5.021 40 HB3 ASN 5 HB1 ASN 5 -9.157 0.904 3.524 41 HD21 ASN 5 HD21 ASN 5 -5.882 2.168 4.274 42 HD22 ASN 5 HD22 ASN 5 -5.124 0.641 4.073 43 H LYS 6 HN LYS 6 -6.987 4.257 1.639 44 HA LYS 6 HA LYS 6 -7.987 3.014 -0.723 45 HB2 LYS 6 HB2 LYS 6 -5.883 5.149 -0.361 46 HB3 LYS 6 HB1 LYS 6 -6.668 4.719 -1.875 47 HG2 LYS 6 HG2 LYS 6 -8.826 5.442 -0.958 48 HG3 LYS 6 HG1 LYS 6 -8.027 5.884 0.550 49 HD2 LYS 6 HD2 LYS 6 -6.655 7.503 -0.646 50 HD3 LYS 6 HD1 LYS 6 -7.438 7.031 -2.157 51 HE2 LYS 6 HE2 LYS 6 -9.600 7.789 -1.259 52 HE3 LYS 6 HE1 LYS 6 -8.805 8.263 0.241 53 HZ1 LYS 6 HZ1 LYS 6 -9.105 10.165 -1.135 54 HZ2 LYS 6 HZ2 LYS 6 -8.352 9.431 -2.447 55 HZ3 LYS 6 HZ3 LYS 6 -7.459 9.821 -1.062 56 HA PRO 7 HA PRO 7 -4.676 -0.030 -1.058 57 HB2 PRO 7 HB2 PRO 7 -5.157 0.232 -3.980 58 HB3 PRO 7 HB1 PRO 7 -5.200 -1.216 -2.969 59 HG2 PRO 7 HG2 PRO 7 -7.460 -0.144 -3.880 60 HG3 PRO 7 HG1 PRO 7 -7.365 -0.800 -2.236 61 HD2 PRO 7 HD2 PRO 7 -7.297 2.054 -3.143 62 HD3 PRO 7 HD1 PRO 7 -8.122 1.319 -1.746 63 H LYS 8 HN LYS 8 -4.797 2.959 -2.622 64 HA LYS 8 HA LYS 8 -2.298 3.082 -3.918 65 HB2 LYS 8 HB2 LYS 8 -3.903 5.333 -2.714 66 HB3 LYS 8 HB1 LYS 8 -2.642 5.479 -3.931 67 HG2 LYS 8 HG2 LYS 8 -4.009 4.238 -5.524 68 HG3 LYS 8 HG1 LYS 8 -5.263 4.033 -4.303 69 HD2 LYS 8 HD2 LYS 8 -5.873 5.839 -5.794 70 HD3 LYS 8 HD1 LYS 8 -5.517 6.488 -4.196 71 HE2 LYS 8 HE2 LYS 8 -3.280 7.121 -4.947 72 HE3 LYS 8 HE1 LYS 8 -3.628 6.467 -6.545 73 HZ1 LYS 8 HZ1 LYS 8 -5.078 8.719 -5.260 74 HZ2 LYS 8 HZ2 LYS 8 -5.329 8.143 -6.824 75 HZ3 LYS 8 HZ3 LYS 8 -3.876 8.878 -6.411 76 H ILE 9 HN ILE 9 -3.322 3.985 -0.605 77 HA ILE 9 HA ILE 9 -0.674 4.925 -0.007 78 HB ILE 9 HB ILE 9 -2.581 6.048 1.099 79 HG12 ILE 9 HG12 ILE 9 -1.790 6.010 3.463 80 HG13 ILE 9 HG11 ILE 9 -0.791 4.617 3.069 81 HG21 ILE 9 HG21 ILE 9 -3.075 3.449 2.515 82 HG22 ILE 9 HG22 ILE 9 -4.120 4.212 1.317 83 HG23 ILE 9 HG23 ILE 9 -3.864 4.984 2.883 84 HD11 ILE 9 HD11 ILE 9 0.495 6.683 3.109 85 HD12 ILE 9 HD12 ILE 9 -0.538 7.359 1.849 86 HD13 ILE 9 HD13 ILE 9 0.487 5.964 1.501 87 H LEU 10 HN LEU 10 -2.510 2.034 0.411 88 HA LEU 10 HA LEU 10 -0.772 0.640 2.130 89 HB2 LEU 10 HB2 LEU 10 -2.572 -0.393 -0.060 90 HB3 LEU 10 HB1 LEU 10 -1.727 -1.425 1.074 91 HG LEU 10 HG LEU 10 -3.854 0.595 1.799 92 HD11 LEU 10 HD11 LEU 10 -5.225 -1.365 2.289 93 HD12 LEU 10 HD12 LEU 10 -3.934 -2.419 1.717 94 HD13 LEU 10 HD13 LEU 10 -4.752 -1.340 0.591 95 HD21 LEU 10 HD21 LEU 10 -2.233 0.329 3.592 96 HD22 LEU 10 HD22 LEU 10 -2.355 -1.423 3.468 97 HD23 LEU 10 HD23 LEU 10 -3.738 -0.486 4.021 98 H LYS 11 HN LYS 11 -0.905 0.916 -1.380 99 HA LYS 11 HA LYS 11 1.247 -0.663 -2.110 100 HB2 LYS 11 HB2 LYS 11 -0.286 0.342 -3.712 101 HB3 LYS 11 HB1 LYS 11 0.278 1.946 -3.282 102 HG2 LYS 11 HG2 LYS 11 2.514 1.344 -4.158 103 HG3 LYS 11 HG1 LYS 11 1.848 -0.205 -4.684 104 HD2 LYS 11 HD2 LYS 11 0.234 0.955 -6.087 105 HD3 LYS 11 HD1 LYS 11 0.870 2.511 -5.554 106 HE2 LYS 11 HE2 LYS 11 2.388 0.398 -7.077 107 HE3 LYS 11 HE1 LYS 11 1.721 1.881 -7.758 108 HZ1 LYS 11 HZ1 LYS 11 3.213 3.129 -6.252 109 HZ2 LYS 11 HZ2 LYS 11 4.022 2.167 -7.360 110 HZ3 LYS 11 HZ3 LYS 11 3.922 1.667 -5.765 111 H ARG 12 HN ARG 12 1.163 2.729 -1.127 112 HA ARG 12 HA ARG 12 3.876 3.284 -1.517 113 HB2 ARG 12 HB2 ARG 12 1.947 4.559 0.408 114 HB3 ARG 12 HB1 ARG 12 3.557 5.169 0.071 115 HG2 ARG 12 HG2 ARG 12 2.871 5.367 -2.327 116 HG3 ARG 12 HG1 ARG 12 1.225 5.001 -1.809 117 HD2 ARG 12 HD2 ARG 12 1.603 7.417 -1.967 118 HD3 ARG 12 HD1 ARG 12 1.244 6.923 -0.309 119 HE ARG 12 HE ARG 12 4.039 7.052 -1.006 120 HH11 ARG 12 HH11 ARG 12 1.323 8.821 0.398 121 HH12 ARG 12 HH12 ARG 12 2.297 9.908 1.275 122 HH21 ARG 12 HH21 ARG 12 5.370 8.522 0.168 123 HH22 ARG 12 HH22 ARG 12 4.678 9.759 1.111 124 H ILE 13 HN ILE 13 2.187 2.389 1.500 125 HA ILE 13 HA ILE 13 4.618 2.381 2.922 126 HB ILE 13 HB ILE 13 2.425 2.646 4.076 127 HG12 ILE 13 HG12 ILE 13 4.026 0.291 5.093 128 HG13 ILE 13 HG11 ILE 13 4.446 1.982 5.331 129 HG21 ILE 13 HG21 ILE 13 2.062 -0.299 3.558 130 HG22 ILE 13 HG22 ILE 13 1.124 1.012 2.850 131 HG23 ILE 13 HG23 ILE 13 1.032 0.703 4.585 132 HD11 ILE 13 HD11 ILE 13 1.984 0.610 6.369 133 HD12 ILE 13 HD12 ILE 13 2.408 2.303 6.632 134 HD13 ILE 13 HD13 ILE 13 3.413 1.022 7.310 135 H LEU 14 HN LEU 14 2.953 -0.102 1.133 136 HA LEU 14 HA LEU 14 4.677 -2.203 1.911 137 HB2 LEU 14 HB2 LEU 14 2.909 -1.899 -0.505 138 HB3 LEU 14 HB1 LEU 14 3.846 -3.343 -0.184 139 HG LEU 14 HG LEU 14 1.653 -2.255 1.587 140 HD11 LEU 14 HD11 LEU 14 1.692 -4.638 -0.259 141 HD12 LEU 14 HD12 LEU 14 0.794 -3.142 -0.512 142 HD13 LEU 14 HD13 LEU 14 0.383 -4.199 0.838 143 HD21 LEU 14 HD21 LEU 14 1.873 -4.426 2.738 144 HD22 LEU 14 HD22 LEU 14 3.314 -3.432 2.894 145 HD23 LEU 14 HD23 LEU 14 3.295 -4.782 1.759 146 H ALA 15 HN ALA 15 5.074 0.434 -0.332 147 HA ALA 15 HA ALA 15 7.150 -0.776 -1.848 148 HB1 ALA 15 HB1 ALA 15 7.705 1.496 -2.572 149 HB2 ALA 15 HB2 ALA 15 6.680 2.162 -1.301 150 HB3 ALA 15 HB3 ALA 15 5.961 1.242 -2.623 151 H LYS 16 HN LYS 16 6.993 0.604 1.262 152 HA LYS 16 HA LYS 16 9.888 0.690 1.541 153 HB2 LYS 16 HB2 LYS 16 8.512 2.449 2.622 154 HB3 LYS 16 HB1 LYS 16 7.725 1.211 3.593 155 HG2 LYS 16 HG2 LYS 16 9.901 0.656 4.613 156 HG3 LYS 16 HG1 LYS 16 10.648 1.947 3.677 157 HD2 LYS 16 HD2 LYS 16 10.222 2.733 5.918 158 HD3 LYS 16 HD1 LYS 16 9.147 3.571 4.802 159 HE2 LYS 16 HE2 LYS 16 7.306 2.097 5.440 160 HE3 LYS 16 HE1 LYS 16 8.382 1.181 6.493 161 HZ1 LYS 16 HZ1 LYS 16 7.630 4.039 6.831 162 HZ2 LYS 16 HZ2 LYS 16 8.682 3.193 7.825 163 HZ3 LYS 16 HZ3 LYS 16 7.067 2.743 7.759 164 H ILE 17 HN ILE 17 7.120 -0.975 3.027 165 HA ILE 17 HA ILE 17 8.539 -2.665 4.741 166 HB ILE 17 HB ILE 17 5.806 -3.103 3.501 167 HG12 ILE 17 HG12 ILE 17 6.586 -2.009 6.217 168 HG13 ILE 17 HG11 ILE 17 6.019 -1.046 4.860 169 HG21 ILE 17 HG21 ILE 17 7.054 -4.501 5.872 170 HG22 ILE 17 HG22 ILE 17 6.686 -5.226 4.307 171 HG23 ILE 17 HG23 ILE 17 5.378 -4.669 5.350 172 HD11 ILE 17 HD11 ILE 17 4.263 -1.433 6.510 173 HD12 ILE 17 HD12 ILE 17 4.431 -3.176 6.280 174 HD13 ILE 17 HD13 ILE 17 3.862 -2.162 4.956 175 H PHE 18 HN PHE 18 7.389 -3.340 1.444 176 HA PHE 18 HA PHE 18 8.655 -5.954 1.578 177 HB2 PHE 18 HB2 PHE 18 6.305 -5.615 0.684 178 HB3 PHE 18 HB1 PHE 18 7.012 -4.706 -0.638 179 HD1 PHE 18 HD1 PHE 18 6.400 -7.980 0.776 180 HD2 PHE 18 HD2 PHE 18 8.360 -5.866 -2.349 181 HE1 PHE 18 HE1 PHE 18 6.660 -10.067 -0.474 182 HE2 PHE 18 HE2 PHE 18 8.628 -7.952 -3.594 183 HZ PHE 18 HZ PHE 18 7.773 -10.062 -2.661 184 H LYS 19 HN LYS 19 10.642 -6.256 0.655 185 HA LYS 19 HA LYS 19 11.557 -4.177 -1.124 186 HB2 LYS 19 HB2 LYS 19 13.893 -4.667 -0.281 187 HB3 LYS 19 HB1 LYS 19 12.845 -3.848 0.852 188 HG2 LYS 19 HG2 LYS 19 13.262 -6.827 0.941 189 HG3 LYS 19 HG1 LYS 19 14.375 -5.716 1.723 190 HD2 LYS 19 HD2 LYS 19 11.409 -5.870 2.300 191 HD3 LYS 19 HD1 LYS 19 12.648 -6.697 3.239 192 HE2 LYS 19 HE2 LYS 19 13.656 -4.517 3.793 193 HE3 LYS 19 HE1 LYS 19 12.393 -3.705 2.870 194 HZ1 LYS 19 HZ1 LYS 19 11.901 -3.743 5.264 195 HZ2 LYS 19 HZ2 LYS 19 11.885 -5.422 5.255 196 HZ3 LYS 19 HZ3 LYS 19 10.750 -4.572 4.381 Start of MODEL 9 1 H2 PRO 1 HT1 PRO 1 -10.083 4.460 7.773 2 H3 PRO 1 HT2 PRO 1 -10.727 5.146 6.432 3 HA PRO 1 HA PRO 1 -12.352 4.175 7.913 4 HB2 PRO 1 HB2 PRO 1 -12.422 2.219 5.714 5 HB3 PRO 1 HB1 PRO 1 -13.633 3.422 6.195 6 HG2 PRO 1 HG2 PRO 1 -12.145 3.816 4.017 7 HG3 PRO 1 HG1 PRO 1 -12.533 5.163 5.104 8 HD2 PRO 1 HD2 PRO 1 -10.061 3.549 4.850 9 HD3 PRO 1 HD1 PRO 1 -10.169 5.293 5.004 10 H MET 2 HN MET 2 -13.374 1.875 8.324 11 HA MET 2 HA MET 2 -11.418 0.617 9.980 12 HB2 MET 2 HB2 MET 2 -13.289 -0.703 10.870 13 HB3 MET 2 HB1 MET 2 -13.608 1.019 10.922 14 HG2 MET 2 HG2 MET 2 -14.708 -0.897 8.857 15 HG3 MET 2 HG1 MET 2 -15.575 -0.349 10.287 16 HE1 MET 2 HE1 MET 2 -14.816 2.751 10.451 17 HE2 MET 2 HE2 MET 2 -16.453 2.127 10.636 18 HE3 MET 2 HE3 MET 2 -16.136 3.455 9.520 19 H ALA 3 HN ALA 3 -13.130 -0.275 7.043 20 HA ALA 3 HA ALA 3 -11.710 -2.848 7.160 21 HB1 ALA 3 HB1 ALA 3 -13.433 -3.766 5.738 22 HB2 ALA 3 HB2 ALA 3 -14.217 -2.192 5.637 23 HB3 ALA 3 HB3 ALA 3 -14.152 -3.044 7.179 24 H ARG 4 HN ARG 4 -12.991 -0.555 4.799 25 HA ARG 4 HA ARG 4 -11.156 -1.424 2.814 26 HB2 ARG 4 HB2 ARG 4 -13.303 0.579 2.948 27 HB3 ARG 4 HB1 ARG 4 -12.041 0.908 1.780 28 HG2 ARG 4 HG2 ARG 4 -13.962 -0.287 0.793 29 HG3 ARG 4 HG1 ARG 4 -12.468 -1.194 0.651 30 HD2 ARG 4 HD2 ARG 4 -14.261 -2.686 1.257 31 HD3 ARG 4 HD1 ARG 4 -13.155 -2.536 2.614 32 HE ARG 4 HE ARG 4 -15.158 -0.647 2.940 33 HH11 ARG 4 HH11 ARG 4 -14.886 -4.193 2.887 34 HH12 ARG 4 HH12 ARG 4 -16.200 -4.428 3.954 35 HH21 ARG 4 HH21 ARG 4 -16.941 -1.002 4.413 36 HH22 ARG 4 HH22 ARG 4 -17.380 -2.602 4.826 37 H ASN 5 HN ASN 5 -9.236 -0.939 2.619 38 HA ASN 5 HA ASN 5 -8.190 1.607 3.657 39 HB2 ASN 5 HB2 ASN 5 -7.225 -0.386 4.819 40 HB3 ASN 5 HB1 ASN 5 -6.690 -1.010 3.263 41 HD21 ASN 5 HD21 ASN 5 -4.530 -1.005 3.875 42 HD22 ASN 5 HD22 ASN 5 -3.619 0.452 4.072 43 H LYS 6 HN LYS 6 -7.326 2.871 2.175 44 HA LYS 6 HA LYS 6 -7.757 2.329 -0.562 45 HB2 LYS 6 HB2 LYS 6 -6.196 4.558 0.744 46 HB3 LYS 6 HB1 LYS 6 -6.717 4.520 -0.936 47 HG2 LYS 6 HG2 LYS 6 -9.042 4.557 -0.258 48 HG3 LYS 6 HG1 LYS 6 -8.585 4.473 1.438 49 HD2 LYS 6 HD2 LYS 6 -9.160 6.749 0.873 50 HD3 LYS 6 HD1 LYS 6 -7.429 6.655 1.182 51 HE2 LYS 6 HE2 LYS 6 -7.004 6.578 -1.227 52 HE3 LYS 6 HE1 LYS 6 -8.739 6.644 -1.530 53 HZ1 LYS 6 HZ1 LYS 6 -8.762 8.835 -0.434 54 HZ2 LYS 6 HZ2 LYS 6 -7.806 8.789 -1.796 55 HZ3 LYS 6 HZ3 LYS 6 -7.078 8.771 -0.279 56 HA PRO 7 HA PRO 7 -3.998 -0.067 -1.353 57 HB2 PRO 7 HB2 PRO 7 -4.870 0.708 -4.098 58 HB3 PRO 7 HB1 PRO 7 -4.331 -0.863 -3.488 59 HG2 PRO 7 HG2 PRO 7 -6.885 -0.430 -3.876 60 HG3 PRO 7 HG1 PRO 7 -6.346 -1.278 -2.414 61 HD2 PRO 7 HD2 PRO 7 -7.306 1.534 -2.724 62 HD3 PRO 7 HD1 PRO 7 -7.554 0.381 -1.401 63 H LYS 8 HN LYS 8 -4.795 3.069 -2.717 64 HA LYS 8 HA LYS 8 -2.402 3.782 -3.883 65 HB2 LYS 8 HB2 LYS 8 -4.441 5.160 -4.024 66 HB3 LYS 8 HB1 LYS 8 -4.253 5.605 -2.334 67 HG2 LYS 8 HG2 LYS 8 -2.142 6.723 -2.857 68 HG3 LYS 8 HG1 LYS 8 -2.310 6.261 -4.549 69 HD2 LYS 8 HD2 LYS 8 -4.398 7.566 -4.669 70 HD3 LYS 8 HD1 LYS 8 -4.181 8.052 -2.993 71 HE2 LYS 8 HE2 LYS 8 -2.290 8.671 -5.271 72 HE3 LYS 8 HE1 LYS 8 -3.430 9.794 -4.545 73 HZ1 LYS 8 HZ1 LYS 8 -1.226 10.132 -3.692 74 HZ2 LYS 8 HZ2 LYS 8 -1.103 8.540 -3.189 75 HZ3 LYS 8 HZ3 LYS 8 -2.215 9.591 -2.448 76 H ILE 9 HN ILE 9 -3.301 4.003 -0.454 77 HA ILE 9 HA ILE 9 -0.637 4.992 0.080 78 HB ILE 9 HB ILE 9 -2.484 6.071 1.337 79 HG12 ILE 9 HG12 ILE 9 -0.633 4.492 3.138 80 HG13 ILE 9 HG11 ILE 9 -0.219 5.990 2.315 81 HG21 ILE 9 HG21 ILE 9 -3.665 4.892 3.130 82 HG22 ILE 9 HG22 ILE 9 -2.914 3.381 2.618 83 HG23 ILE 9 HG23 ILE 9 -4.026 4.219 1.539 84 HD11 ILE 9 HD11 ILE 9 -2.333 5.658 4.433 85 HD12 ILE 9 HD12 ILE 9 -1.915 7.167 3.619 86 HD13 ILE 9 HD13 ILE 9 -0.733 6.366 4.656 87 H LEU 10 HN LEU 10 -2.536 2.076 0.478 88 HA LEU 10 HA LEU 10 -0.835 0.725 2.243 89 HB2 LEU 10 HB2 LEU 10 -3.092 -0.063 1.755 90 HB3 LEU 10 HB1 LEU 10 -2.615 -0.432 0.108 91 HG LEU 10 HG LEU 10 -1.028 -2.116 0.973 92 HD11 LEU 10 HD11 LEU 10 -0.630 -1.248 3.191 93 HD12 LEU 10 HD12 LEU 10 -1.243 -2.899 3.289 94 HD13 LEU 10 HD13 LEU 10 -2.314 -1.539 3.634 95 HD21 LEU 10 HD21 LEU 10 -3.898 -2.496 1.802 96 HD22 LEU 10 HD22 LEU 10 -2.720 -3.788 1.568 97 HD23 LEU 10 HD23 LEU 10 -3.225 -2.795 0.200 98 H LYS 11 HN LYS 11 -0.846 0.751 -1.317 99 HA LYS 11 HA LYS 11 1.300 -1.075 -1.546 100 HB2 LYS 11 HB2 LYS 11 0.192 0.939 -3.501 101 HB3 LYS 11 HB1 LYS 11 1.519 -0.141 -3.898 102 HG2 LYS 11 HG2 LYS 11 -1.225 -1.036 -3.036 103 HG3 LYS 11 HG1 LYS 11 -0.662 -0.956 -4.707 104 HD2 LYS 11 HD2 LYS 11 1.106 -2.577 -4.190 105 HD3 LYS 11 HD1 LYS 11 0.560 -2.652 -2.517 106 HE2 LYS 11 HE2 LYS 11 -1.594 -3.513 -3.251 107 HE3 LYS 11 HE1 LYS 11 -1.065 -3.418 -4.929 108 HZ1 LYS 11 HZ1 LYS 11 0.629 -5.048 -4.472 109 HZ2 LYS 11 HZ2 LYS 11 -0.862 -5.671 -3.990 110 HZ3 LYS 11 HZ3 LYS 11 0.218 -5.103 -2.845 111 H ARG 12 HN ARG 12 1.181 2.339 -1.061 112 HA ARG 12 HA ARG 12 3.923 2.766 -1.659 113 HB2 ARG 12 HB2 ARG 12 1.683 4.350 -0.901 114 HB3 ARG 12 HB1 ARG 12 2.991 4.698 0.218 115 HG2 ARG 12 HG2 ARG 12 2.956 6.219 -1.724 116 HG3 ARG 12 HG1 ARG 12 4.450 5.295 -1.594 117 HD2 ARG 12 HD2 ARG 12 3.593 5.466 -3.903 118 HD3 ARG 12 HD1 ARG 12 3.740 3.799 -3.368 119 HE ARG 12 HE ARG 12 1.131 4.888 -2.944 120 HH11 ARG 12 HH11 ARG 12 3.199 3.362 -5.386 121 HH12 ARG 12 HH12 ARG 12 1.917 2.804 -6.338 122 HH21 ARG 12 HH21 ARG 12 -0.605 4.115 -4.233 123 HH22 ARG 12 HH22 ARG 12 -0.327 3.246 -5.684 124 H ILE 13 HN ILE 13 2.117 2.235 1.338 125 HA ILE 13 HA ILE 13 4.274 2.227 3.126 126 HB ILE 13 HB ILE 13 1.734 0.547 3.226 127 HG12 ILE 13 HG12 ILE 13 2.348 3.207 4.543 128 HG13 ILE 13 HG11 ILE 13 1.350 2.997 3.111 129 HG21 ILE 13 HG21 ILE 13 3.661 1.232 5.456 130 HG22 ILE 13 HG22 ILE 13 3.427 -0.360 4.733 131 HG23 ILE 13 HG23 ILE 13 2.123 0.391 5.650 132 HD11 ILE 13 HD11 ILE 13 0.760 1.899 5.852 133 HD12 ILE 13 HD12 ILE 13 -0.254 1.705 4.423 134 HD13 ILE 13 HD13 ILE 13 0.003 3.309 5.112 135 H LEU 14 HN LEU 14 2.983 -0.263 1.048 136 HA LEU 14 HA LEU 14 4.791 -2.280 1.944 137 HB2 LEU 14 HB2 LEU 14 3.048 -2.171 -0.512 138 HB3 LEU 14 HB1 LEU 14 3.951 -3.579 0.009 139 HG LEU 14 HG LEU 14 1.722 -2.269 1.572 140 HD11 LEU 14 HD11 LEU 14 1.758 -4.840 0.013 141 HD12 LEU 14 HD12 LEU 14 0.903 -3.363 -0.434 142 HD13 LEU 14 HD13 LEU 14 0.429 -4.252 1.013 143 HD21 LEU 14 HD21 LEU 14 1.857 -4.273 2.992 144 HD22 LEU 14 HD22 LEU 14 3.340 -3.329 3.047 145 HD23 LEU 14 HD23 LEU 14 3.272 -4.811 2.088 146 H ALA 15 HN ALA 15 5.017 0.300 -0.380 147 HA ALA 15 HA ALA 15 7.164 -0.879 -1.869 148 HB1 ALA 15 HB1 ALA 15 7.393 1.329 -2.903 149 HB2 ALA 15 HB2 ALA 15 6.301 2.016 -1.701 150 HB3 ALA 15 HB3 ALA 15 5.699 0.837 -2.866 151 H LYS 16 HN LYS 16 6.859 0.663 1.102 152 HA LYS 16 HA LYS 16 9.500 1.669 1.369 153 HB2 LYS 16 HB2 LYS 16 7.577 0.748 3.516 154 HB3 LYS 16 HB1 LYS 16 9.034 1.689 3.789 155 HG2 LYS 16 HG2 LYS 16 6.646 2.606 2.192 156 HG3 LYS 16 HG1 LYS 16 6.982 3.048 3.863 157 HD2 LYS 16 HD2 LYS 16 9.072 4.113 3.159 158 HD3 LYS 16 HD1 LYS 16 8.747 3.649 1.490 159 HE2 LYS 16 HE2 LYS 16 8.161 5.970 1.880 160 HE3 LYS 16 HE1 LYS 16 6.730 5.021 1.490 161 HZ1 LYS 16 HZ1 LYS 16 6.160 4.975 3.828 162 HZ2 LYS 16 HZ2 LYS 16 6.329 6.555 3.332 163 HZ3 LYS 16 HZ3 LYS 16 7.554 5.830 4.237 164 H ILE 17 HN ILE 17 7.950 -1.398 2.071 165 HA ILE 17 HA ILE 17 10.473 -2.473 3.012 166 HB ILE 17 HB ILE 17 8.496 -3.139 4.298 167 HG12 ILE 17 HG12 ILE 17 8.751 -5.620 4.276 168 HG13 ILE 17 HG11 ILE 17 9.681 -5.478 2.790 169 HG21 ILE 17 HG21 ILE 17 6.785 -3.035 2.617 170 HG22 ILE 17 HG22 ILE 17 6.765 -4.618 3.398 171 HG23 ILE 17 HG23 ILE 17 7.468 -4.434 1.791 172 HD11 ILE 17 HD11 ILE 17 10.439 -4.309 5.462 173 HD12 ILE 17 HD12 ILE 17 11.383 -4.191 3.976 174 HD13 ILE 17 HD13 ILE 17 11.120 -5.761 4.731 175 H PHE 18 HN PHE 18 8.334 -2.800 0.223 176 HA PHE 18 HA PHE 18 10.458 -4.346 -1.048 177 HB2 PHE 18 HB2 PHE 18 8.346 -5.635 -0.796 178 HB3 PHE 18 HB1 PHE 18 7.503 -4.392 -1.710 179 HD1 PHE 18 HD1 PHE 18 10.149 -6.966 -1.922 180 HD2 PHE 18 HD2 PHE 18 7.502 -4.422 -4.076 181 HE1 PHE 18 HE1 PHE 18 10.706 -8.149 -3.999 182 HE2 PHE 18 HE2 PHE 18 8.051 -5.603 -6.158 183 HZ PHE 18 HZ PHE 18 9.656 -7.471 -6.124 184 H LYS 19 HN LYS 19 11.565 -2.946 -2.066 185 HA LYS 19 HA LYS 19 10.236 -0.847 -3.550 186 HB2 LYS 19 HB2 LYS 19 12.467 0.391 -3.409 187 HB3 LYS 19 HB1 LYS 19 11.566 0.250 -1.915 188 HG2 LYS 19 HG2 LYS 19 13.828 -1.621 -2.588 189 HG3 LYS 19 HG1 LYS 19 14.101 -0.065 -1.806 190 HD2 LYS 19 HD2 LYS 19 12.714 -0.728 0.071 191 HD3 LYS 19 HD1 LYS 19 12.290 -2.239 -0.716 192 HE2 LYS 19 HE2 LYS 19 13.979 -2.626 0.954 193 HE3 LYS 19 HE1 LYS 19 14.649 -2.910 -0.648 194 HZ1 LYS 19 HZ1 LYS 19 15.024 -0.417 0.917 195 HZ2 LYS 19 HZ2 LYS 19 15.759 -0.786 -0.560 196 HZ3 LYS 19 HZ3 LYS 19 16.128 -1.679 0.816 Start of MODEL 10 1 H2 PRO 1 HT1 PRO 1 -11.470 -0.204 15.218 2 H3 PRO 1 HT2 PRO 1 -12.727 0.409 16.033 3 HA PRO 1 HA PRO 1 -13.433 -0.588 13.992 4 HB2 PRO 1 HB2 PRO 1 -13.826 1.804 12.687 5 HB3 PRO 1 HB1 PRO 1 -14.858 1.198 13.995 6 HG2 PRO 1 HG2 PRO 1 -12.599 3.151 14.120 7 HG3 PRO 1 HG1 PRO 1 -14.155 3.178 14.971 8 HD2 PRO 1 HD2 PRO 1 -11.976 2.457 16.280 9 HD3 PRO 1 HD1 PRO 1 -13.500 1.627 16.523 10 H MET 2 HN MET 2 -13.297 -0.250 11.528 11 HA MET 2 HA MET 2 -10.658 -0.771 10.733 12 HB2 MET 2 HB2 MET 2 -13.095 -0.086 9.084 13 HB3 MET 2 HB1 MET 2 -11.590 -0.702 8.425 14 HG2 MET 2 HG2 MET 2 -13.372 -2.146 10.379 15 HG3 MET 2 HG1 MET 2 -13.276 -2.467 8.651 16 HE1 MET 2 HE1 MET 2 -11.170 -3.580 7.457 17 HE2 MET 2 HE2 MET 2 -9.633 -3.849 8.284 18 HE3 MET 2 HE3 MET 2 -10.225 -2.211 8.033 19 H ALA 3 HN ALA 3 -9.106 0.609 10.465 20 HA ALA 3 HA ALA 3 -9.609 3.422 10.491 21 HB1 ALA 3 HB1 ALA 3 -7.002 1.933 10.198 22 HB2 ALA 3 HB2 ALA 3 -7.734 2.450 11.717 23 HB3 ALA 3 HB3 ALA 3 -7.190 3.650 10.552 24 H ARG 4 HN ARG 4 -9.364 1.091 8.122 25 HA ARG 4 HA ARG 4 -9.274 1.022 5.940 26 HB2 ARG 4 HB2 ARG 4 -10.452 3.709 6.295 27 HB3 ARG 4 HB1 ARG 4 -10.246 2.996 4.702 28 HG2 ARG 4 HG2 ARG 4 -11.805 1.746 6.956 29 HG3 ARG 4 HG1 ARG 4 -12.520 2.627 5.611 30 HD2 ARG 4 HD2 ARG 4 -10.952 0.034 5.488 31 HD3 ARG 4 HD1 ARG 4 -12.652 0.268 5.125 32 HE ARG 4 HE ARG 4 -11.613 1.888 3.334 33 HH11 ARG 4 HH11 ARG 4 -10.524 -1.388 4.169 34 HH12 ARG 4 HH12 ARG 4 -9.898 -1.696 2.622 35 HH21 ARG 4 HH21 ARG 4 -10.716 1.437 1.237 36 HH22 ARG 4 HH22 ARG 4 -10.013 -0.093 0.927 37 H ASN 5 HN ASN 5 -7.392 0.694 5.431 38 HA ASN 5 HA ASN 5 -5.601 2.924 4.859 39 HB2 ASN 5 HB2 ASN 5 -4.654 0.887 5.972 40 HB3 ASN 5 HB1 ASN 5 -5.087 -0.055 4.547 41 HD21 ASN 5 HD21 ASN 5 -2.918 -0.592 4.227 42 HD22 ASN 5 HD22 ASN 5 -1.778 0.536 3.590 43 H LYS 6 HN LYS 6 -5.533 3.737 2.926 44 HA LYS 6 HA LYS 6 -7.276 2.685 0.916 45 HB2 LYS 6 HB2 LYS 6 -5.531 5.136 1.048 46 HB3 LYS 6 HB1 LYS 6 -6.272 4.652 -0.465 47 HG2 LYS 6 HG2 LYS 6 -7.620 6.354 0.591 48 HG3 LYS 6 HG1 LYS 6 -8.495 4.832 0.569 49 HD2 LYS 6 HD2 LYS 6 -8.863 5.916 2.691 50 HD3 LYS 6 HD1 LYS 6 -7.853 4.498 2.953 51 HE2 LYS 6 HE2 LYS 6 -5.868 5.920 3.034 52 HE3 LYS 6 HE1 LYS 6 -6.869 7.341 2.740 53 HZ1 LYS 6 HZ1 LYS 6 -7.133 5.545 5.090 54 HZ2 LYS 6 HZ2 LYS 6 -7.978 6.972 4.842 55 HZ3 LYS 6 HZ3 LYS 6 -6.307 7.007 5.088 56 HA PRO 7 HA PRO 7 -4.604 -0.058 -1.259 57 HB2 PRO 7 HB2 PRO 7 -5.633 1.332 -3.687 58 HB3 PRO 7 HB1 PRO 7 -5.518 -0.402 -3.360 59 HG2 PRO 7 HG2 PRO 7 -7.857 0.821 -3.174 60 HG3 PRO 7 HG1 PRO 7 -7.388 -0.391 -1.969 61 HD2 PRO 7 HD2 PRO 7 -7.474 2.582 -1.729 62 HD3 PRO 7 HD1 PRO 7 -7.815 1.328 -0.518 63 H LYS 8 HN LYS 8 -4.624 3.315 -2.411 64 HA LYS 8 HA LYS 8 -2.110 3.231 -3.695 65 HB2 LYS 8 HB2 LYS 8 -3.649 5.117 -4.042 66 HB3 LYS 8 HB1 LYS 8 -3.442 5.603 -2.361 67 HG2 LYS 8 HG2 LYS 8 -1.030 5.932 -2.806 68 HG3 LYS 8 HG1 LYS 8 -1.322 5.583 -4.501 69 HD2 LYS 8 HD2 LYS 8 -2.894 7.503 -4.561 70 HD3 LYS 8 HD1 LYS 8 -2.452 7.861 -2.891 71 HE2 LYS 8 HE2 LYS 8 -0.086 8.049 -3.591 72 HE3 LYS 8 HE1 LYS 8 -0.590 7.796 -5.254 73 HZ1 LYS 8 HZ1 LYS 8 -1.889 9.821 -5.143 74 HZ2 LYS 8 HZ2 LYS 8 -0.287 10.128 -4.760 75 HZ3 LYS 8 HZ3 LYS 8 -1.433 10.065 -3.538 76 H ILE 9 HN ILE 9 -3.049 4.083 -0.422 77 HA ILE 9 HA ILE 9 -0.437 4.836 0.426 78 HB ILE 9 HB ILE 9 -2.814 4.037 2.140 79 HG12 ILE 9 HG12 ILE 9 -3.422 5.878 0.651 80 HG13 ILE 9 HG11 ILE 9 -3.284 6.456 2.305 81 HG21 ILE 9 HG21 ILE 9 -0.704 4.035 3.379 82 HG22 ILE 9 HG22 ILE 9 -1.736 5.364 3.899 83 HG23 ILE 9 HG23 ILE 9 -0.370 5.678 2.830 84 HD11 ILE 9 HD11 ILE 9 -2.340 8.037 0.711 85 HD12 ILE 9 HD12 ILE 9 -1.223 6.808 0.129 86 HD13 ILE 9 HD13 ILE 9 -1.091 7.408 1.784 87 H LEU 10 HN LEU 10 -2.353 1.922 0.524 88 HA LEU 10 HA LEU 10 -0.627 0.318 2.029 89 HB2 LEU 10 HB2 LEU 10 -2.881 -0.408 1.446 90 HB3 LEU 10 HB1 LEU 10 -2.444 -0.464 -0.251 91 HG LEU 10 HG LEU 10 -0.837 -2.278 0.242 92 HD11 LEU 10 HD11 LEU 10 -2.011 -2.166 3.010 93 HD12 LEU 10 HD12 LEU 10 -0.342 -1.803 2.560 94 HD13 LEU 10 HD13 LEU 10 -0.964 -3.444 2.398 95 HD21 LEU 10 HD21 LEU 10 -3.069 -2.805 -0.533 96 HD22 LEU 10 HD22 LEU 10 -3.663 -2.789 1.127 97 HD23 LEU 10 HD23 LEU 10 -2.512 -4.024 0.614 98 H LYS 11 HN LYS 11 -0.827 0.826 -1.480 99 HA LYS 11 HA LYS 11 1.351 -0.736 -2.206 100 HB2 LYS 11 HB2 LYS 11 -0.198 0.131 -3.866 101 HB3 LYS 11 HB1 LYS 11 0.279 1.781 -3.498 102 HG2 LYS 11 HG2 LYS 11 2.512 1.346 -4.353 103 HG3 LYS 11 HG1 LYS 11 2.074 -0.329 -4.676 104 HD2 LYS 11 HD2 LYS 11 0.416 0.403 -6.304 105 HD3 LYS 11 HD1 LYS 11 0.790 2.091 -5.944 106 HE2 LYS 11 HE2 LYS 11 3.028 1.831 -6.739 107 HE3 LYS 11 HE1 LYS 11 2.812 0.098 -6.958 108 HZ1 LYS 11 HZ1 LYS 11 1.409 2.236 -8.484 109 HZ2 LYS 11 HZ2 LYS 11 1.170 0.580 -8.662 110 HZ3 LYS 11 HZ3 LYS 11 2.656 1.241 -9.047 111 H ARG 12 HN ARG 12 1.220 2.567 -1.044 112 HA ARG 12 HA ARG 12 3.927 3.192 -1.555 113 HB2 ARG 12 HB2 ARG 12 2.267 4.344 0.702 114 HB3 ARG 12 HB1 ARG 12 3.731 5.031 0.031 115 HG2 ARG 12 HG2 ARG 12 0.989 4.905 -1.185 116 HG3 ARG 12 HG1 ARG 12 1.968 6.320 -0.808 117 HD2 ARG 12 HD2 ARG 12 2.440 4.292 -2.992 118 HD3 ARG 12 HD1 ARG 12 1.924 5.961 -3.195 119 HE ARG 12 HE ARG 12 4.299 6.128 -1.885 120 HH11 ARG 12 HH11 ARG 12 3.201 4.746 -4.962 121 HH12 ARG 12 HH12 ARG 12 4.736 4.818 -5.698 122 HH21 ARG 12 HH21 ARG 12 6.383 6.272 -2.911 123 HH22 ARG 12 HH22 ARG 12 6.612 5.740 -4.505 124 H ILE 13 HN ILE 13 2.386 2.246 1.532 125 HA ILE 13 HA ILE 13 4.844 1.965 2.875 126 HB ILE 13 HB ILE 13 2.832 2.250 4.208 127 HG12 ILE 13 HG12 ILE 13 3.054 0.433 5.884 128 HG13 ILE 13 HG11 ILE 13 4.029 -0.478 4.739 129 HG21 ILE 13 HG21 ILE 13 1.216 1.156 2.821 130 HG22 ILE 13 HG22 ILE 13 1.125 0.526 4.466 131 HG23 ILE 13 HG23 ILE 13 1.909 -0.420 3.199 132 HD11 ILE 13 HD11 ILE 13 4.732 2.192 5.939 133 HD12 ILE 13 HD12 ILE 13 5.718 1.284 4.791 134 HD13 ILE 13 HD13 ILE 13 5.406 0.629 6.397 135 H LEU 14 HN LEU 14 2.979 -0.305 0.992 136 HA LEU 14 HA LEU 14 4.413 -2.630 1.485 137 HB2 LEU 14 HB2 LEU 14 2.336 -2.573 0.209 138 HB3 LEU 14 HB1 LEU 14 3.116 -1.644 -1.050 139 HG LEU 14 HG LEU 14 4.576 -3.599 -1.526 140 HD11 LEU 14 HD11 LEU 14 3.945 -5.781 -0.648 141 HD12 LEU 14 HD12 LEU 14 2.754 -5.020 0.405 142 HD13 LEU 14 HD13 LEU 14 4.473 -4.697 0.637 143 HD21 LEU 14 HD21 LEU 14 2.581 -3.159 -2.844 144 HD22 LEU 14 HD22 LEU 14 1.605 -4.078 -1.697 145 HD23 LEU 14 HD23 LEU 14 2.838 -4.893 -2.659 146 H ALA 15 HN ALA 15 5.049 0.092 -0.750 147 HA ALA 15 HA ALA 15 7.277 -1.255 -1.968 148 HB1 ALA 15 HB1 ALA 15 5.895 0.330 -3.237 149 HB2 ALA 15 HB2 ALA 15 7.584 0.839 -3.199 150 HB3 ALA 15 HB3 ALA 15 6.400 1.629 -2.158 151 H LYS 16 HN LYS 16 6.760 0.716 0.770 152 HA LYS 16 HA LYS 16 9.408 1.719 1.031 153 HB2 LYS 16 HB2 LYS 16 7.311 2.650 1.992 154 HB3 LYS 16 HB1 LYS 16 7.291 1.309 3.120 155 HG2 LYS 16 HG2 LYS 16 9.497 2.072 3.979 156 HG3 LYS 16 HG1 LYS 16 9.366 3.482 2.925 157 HD2 LYS 16 HD2 LYS 16 7.428 2.716 5.106 158 HD3 LYS 16 HD1 LYS 16 8.611 4.018 5.178 159 HE2 LYS 16 HE2 LYS 16 6.398 3.874 3.128 160 HE3 LYS 16 HE1 LYS 16 6.244 4.727 4.631 161 HZ1 LYS 16 HZ1 LYS 16 8.140 6.118 3.969 162 HZ2 LYS 16 HZ2 LYS 16 6.868 6.233 2.891 163 HZ3 LYS 16 HZ3 LYS 16 8.228 5.327 2.482 164 H ILE 17 HN ILE 17 7.551 -0.975 2.379 165 HA ILE 17 HA ILE 17 9.776 -1.981 3.908 166 HB ILE 17 HB ILE 17 7.136 -3.302 3.197 167 HG12 ILE 17 HG12 ILE 17 7.945 -1.884 5.748 168 HG13 ILE 17 HG11 ILE 17 6.905 -1.194 4.505 169 HG21 ILE 17 HG21 ILE 17 7.599 -4.808 5.091 170 HG22 ILE 17 HG22 ILE 17 9.174 -4.042 5.298 171 HG23 ILE 17 HG23 ILE 17 8.824 -4.947 3.827 172 HD11 ILE 17 HD11 ILE 17 5.264 -2.949 4.925 173 HD12 ILE 17 HD12 ILE 17 5.618 -2.028 6.388 174 HD13 ILE 17 HD13 ILE 17 6.312 -3.636 6.165 175 H PHE 18 HN PHE 18 8.075 -2.899 0.958 176 HA PHE 18 HA PHE 18 10.140 -4.875 0.352 177 HB2 PHE 18 HB2 PHE 18 7.977 -5.852 0.909 178 HB3 PHE 18 HB1 PHE 18 7.171 -4.787 -0.220 179 HD1 PHE 18 HD1 PHE 18 9.985 -7.263 -0.339 180 HD2 PHE 18 HD2 PHE 18 6.366 -5.831 -2.056 181 HE1 PHE 18 HE1 PHE 18 10.059 -9.067 -2.011 182 HE2 PHE 18 HE2 PHE 18 6.446 -7.626 -3.728 183 HZ PHE 18 HZ PHE 18 8.294 -9.245 -3.709 184 H LYS 19 HN LYS 19 11.474 -3.806 -1.031 185 HA LYS 19 HA LYS 19 10.225 -2.290 -3.145 186 HB2 LYS 19 HB2 LYS 19 12.355 -1.051 -3.383 187 HB3 LYS 19 HB1 LYS 19 11.625 -0.824 -1.814 188 HG2 LYS 19 HG2 LYS 19 13.935 -2.703 -2.341 189 HG3 LYS 19 HG1 LYS 19 14.125 -1.028 -1.865 190 HD2 LYS 19 HD2 LYS 19 12.776 -3.187 -0.208 191 HD3 LYS 19 HD1 LYS 19 14.392 -2.549 0.036 192 HE2 LYS 19 HE2 LYS 19 13.443 -0.315 0.447 193 HE3 LYS 19 HE1 LYS 19 11.824 -0.979 0.241 194 HZ1 LYS 19 HZ1 LYS 19 12.327 -2.487 2.147 195 HZ2 LYS 19 HZ2 LYS 19 12.251 -0.855 2.511 196 HZ3 LYS 19 HZ3 LYS 19 13.756 -1.598 2.406
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