NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
644899 | 6oc2 | 30594 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 HT1 GLU 1 7.211 15.804 -16.884 2 H2 GLU 1 HT2 GLU 1 6.541 16.778 -15.665 3 H3 GLU 1 HT3 GLU 1 5.860 15.259 -16.010 4 HA GLU 1 HA GLU 1 7.641 14.103 -15.132 5 HB2 GLU 1 HB2 GLU 1 9.755 15.196 -14.393 6 HB3 GLU 1 HB1 GLU 1 9.444 15.495 -16.138 7 HG2 GLU 1 HG2 GLU 1 8.493 17.775 -15.564 8 HG3 GLU 1 HG1 GLU 1 8.890 17.479 -13.825 9 H MET 2 HN MET 2 5.369 16.173 -14.194 10 HA MET 2 HA MET 2 4.360 16.597 -12.262 11 HB2 MET 2 HB2 MET 2 6.429 14.689 -11.043 12 HB3 MET 2 HB1 MET 2 5.133 15.481 -10.093 13 HG2 MET 2 HG2 MET 2 3.392 14.373 -11.416 14 HG3 MET 2 HG1 MET 2 4.615 13.683 -12.530 15 HE1 MET 2 HE1 MET 2 4.673 13.689 -8.262 16 HE2 MET 2 HE2 MET 2 3.261 12.581 -8.349 17 HE3 MET 2 HE3 MET 2 3.219 14.156 -9.212 18 H ARG 3 HN ARG 3 4.949 17.321 -9.813 19 HA ARG 3 HA ARG 3 7.038 19.267 -10.216 20 HB2 ARG 3 HB2 ARG 3 4.791 20.292 -10.018 21 HB3 ARG 3 HB1 ARG 3 4.555 19.378 -8.489 22 HG2 ARG 3 HG2 ARG 3 6.287 20.638 -7.350 23 HG3 ARG 3 HG1 ARG 3 6.835 21.403 -8.884 24 HD2 ARG 3 HD2 ARG 3 4.685 22.650 -9.070 25 HD3 ARG 3 HD1 ARG 3 4.059 21.824 -7.578 26 HE ARG 3 HE ARG 3 5.447 23.223 -6.261 27 HH11 ARG 3 HH11 ARG 3 6.304 23.447 -9.717 28 HH12 ARG 3 HH12 ARG 3 7.374 24.794 -9.519 29 HH21 ARG 3 HH21 ARG 3 6.899 25.054 -6.000 30 HH22 ARG 3 HH22 ARG 3 7.718 25.722 -7.372 31 H LEU 4 HN LEU 4 5.301 17.480 -7.748 32 HA LEU 4 HA LEU 4 7.399 17.681 -5.887 33 HB2 LEU 4 HB2 LEU 4 5.474 15.354 -5.862 34 HB3 LEU 4 HB1 LEU 4 6.033 16.371 -4.473 35 HG LEU 4 HG LEU 4 4.607 18.270 -5.605 36 HD11 LEU 4 HD11 LEU 4 3.992 15.999 -7.395 37 HD12 LEU 4 HD12 LEU 4 3.517 17.738 -7.538 38 HD13 LEU 4 HD13 LEU 4 2.497 16.596 -6.581 39 HD21 LEU 4 HD21 LEU 4 2.488 17.283 -4.453 40 HD22 LEU 4 HD22 LEU 4 3.976 17.446 -3.446 41 HD23 LEU 4 HD23 LEU 4 3.500 15.829 -4.098 42 H SER 5 HN SER 5 6.375 15.503 -8.479 43 HA SER 5 HA SER 5 7.241 13.567 -9.220 44 HB2 SER 5 HB2 SER 5 8.849 15.380 -10.127 45 HB3 SER 5 HB1 SER 5 9.966 14.937 -8.780 46 HG SER 5 HG SER 5 9.393 13.662 -11.130 47 H ORN 6 HN ORN 6 10.415 13.499 -7.888 48 HA ORN 6 HA ORN 6 9.482 11.563 -5.909 49 HB2 ORN 6 HB1 ORN 6 12.301 12.200 -6.985 50 HB3 ORN 6 HB2 ORN 6 11.336 10.734 -7.361 51 HG2 ORN 6 HG1 ORN 6 12.286 11.454 -4.512 52 HG3 ORN 6 HG2 ORN 6 13.236 10.444 -5.646 53 HD2 ORN 6 HD2 ORN 6 10.378 9.557 -5.273 54 HD3 ORN 6 HD1 ORN 6 11.904 8.588 -5.338 55 H PHE 7 HN PHE 7 8.532 13.675 -4.901 56 HA PHE 7 HA PHE 7 10.239 15.478 -3.784 57 HB2 PHE 7 HB2 PHE 7 8.169 15.795 -2.186 58 HB3 PHE 7 HB1 PHE 7 7.955 16.131 -3.915 59 HD1 PHE 7 HD1 PHE 7 6.642 14.543 -1.116 60 HD2 PHE 7 HD2 PHE 7 7.025 14.131 -5.287 61 HE1 PHE 7 HE1 PHE 7 4.657 13.209 -1.145 62 HE2 PHE 7 HE2 PHE 7 5.010 12.784 -5.329 63 HZ PHE 7 HZ PHE 7 3.825 12.342 -3.222 64 H PHE 8 HN PHE 8 8.339 14.312 -1.238 65 HA PHE 8 HA PHE 8 10.710 13.083 -0.063 66 HB2 PHE 8 HB2 PHE 8 8.661 13.908 1.906 67 HB3 PHE 8 HB1 PHE 8 10.369 14.521 1.757 68 HD1 PHE 8 HD1 PHE 8 6.954 14.994 1.016 69 HD2 PHE 8 HD2 PHE 8 10.883 16.234 0.183 70 HE1 PHE 8 HE1 PHE 8 6.082 16.788 -0.330 71 HE2 PHE 8 HE2 PHE 8 10.021 18.076 -1.117 72 HZ PHE 8 HZ PHE 8 7.612 18.281 -1.408 73 H ARG 9 HN ARG 9 8.121 12.416 -1.740 74 HA ARG 9 HA ARG 9 6.383 10.808 -0.377 75 HB2 ARG 9 HB2 ARG 9 6.481 11.482 -2.936 76 HB3 ARG 9 HB1 ARG 9 7.436 9.984 -3.114 77 HG2 ARG 9 HG2 ARG 9 5.590 8.625 -2.213 78 HG3 ARG 9 HG1 ARG 9 4.625 10.101 -1.866 79 HD2 ARG 9 HD2 ARG 9 4.552 10.630 -4.344 80 HD3 ARG 9 HD1 ARG 9 5.473 9.097 -4.676 81 HE ARG 9 HE ARG 9 2.633 9.316 -3.840 82 HH11 ARG 9 HH11 ARG 9 5.554 7.290 -4.134 83 HH12 ARG 9 HH12 ARG 9 4.694 5.787 -4.150 84 HH21 ARG 9 HH21 ARG 9 1.471 7.272 -3.860 85 HH22 ARG 9 HH22 ARG 9 2.335 5.777 -3.992 86 H ASN 10 HN ASN 10 9.731 10.118 -1.343 87 HA ASN 10 HA ASN 10 9.469 7.327 -1.161 88 HB2 ASN 10 HB2 ASN 10 11.901 9.187 -0.896 89 HB3 ASN 10 HB1 ASN 10 12.025 7.386 -0.877 90 HD21 ASN 10 HD21 ASN 10 11.568 10.270 -2.884 91 H PHE 11 HN PHE 11 9.286 9.825 1.200 92 HA PHE 11 HA PHE 11 9.781 7.807 3.276 93 HB2 PHE 11 HB2 PHE 11 11.309 10.003 3.222 94 HB3 PHE 11 HB1 PHE 11 9.822 10.823 3.826 95 HD1 PHE 11 HD1 PHE 11 11.815 7.724 4.550 96 HD2 PHE 11 HD2 PHE 11 9.685 11.069 6.083 97 HE1 PHE 11 HE1 PHE 11 12.397 7.053 6.834 98 HE2 PHE 11 HE2 PHE 11 10.267 10.392 8.364 99 HZ PHE 11 HZ PHE 11 11.624 8.385 8.742 100 H ILE 12 HN ILE 12 8.027 11.018 2.829 101 HA ILE 12 HA ILE 12 5.505 9.830 3.050 102 HB ILE 12 HB ILE 12 4.876 11.354 5.043 103 HG12 ILE 12 HG12 ILE 12 7.114 10.937 6.690 104 HG13 ILE 12 HG11 ILE 12 7.856 11.490 5.146 105 HG21 ILE 12 HG21 ILE 12 6.465 8.804 5.681 106 HG22 ILE 12 HG22 ILE 12 4.837 8.799 4.905 107 HG23 ILE 12 HG23 ILE 12 5.050 9.478 6.560 108 HD11 ILE 12 HD11 ILE 12 6.965 13.626 5.315 109 HD12 ILE 12 HD12 ILE 12 6.947 13.218 7.073 110 HD13 ILE 12 HD13 ILE 12 5.441 13.052 6.091 111 H LEU 13 HN LEU 13 5.198 12.820 4.393 112 HA LEU 13 HA LEU 13 6.065 14.671 2.760 113 HB2 LEU 13 HB2 LEU 13 5.314 14.304 0.605 114 HB3 LEU 13 HB1 LEU 13 4.349 12.896 1.150 115 HG LEU 13 HG LEU 13 3.305 15.704 1.689 116 HD11 LEU 13 HD11 LEU 13 2.429 16.029 -0.478 117 HD12 LEU 13 HD12 LEU 13 2.767 14.329 -0.983 118 HD13 LEU 13 HD13 LEU 13 4.135 15.496 -0.765 119 HD21 LEU 13 HD21 LEU 13 1.392 13.671 0.742 120 HD22 LEU 13 HD22 LEU 13 1.439 14.576 2.306 121 HD23 LEU 13 HD23 LEU 13 2.375 13.035 2.125 122 H GLN 14 HN GLN 14 3.406 13.082 4.418 123 HA GLN 14 HA GLN 14 1.867 15.445 4.633 124 HB2 GLN 14 HB2 GLN 14 1.832 12.782 6.099 125 HB3 GLN 14 HB1 GLN 14 0.834 14.161 6.690 126 HG2 GLN 14 HG2 GLN 14 -0.194 14.351 4.370 127 HG3 GLN 14 HG1 GLN 14 0.709 12.852 3.899 128 HE21 GLN 14 HE21 GLN 14 -1.612 14.140 6.386 129 HE22 GLN 14 HE22 GLN 14 -2.430 12.638 6.651 130 H ARG 15 HN ARG 15 1.755 16.973 6.163 131 HA ARG 15 HA ARG 15 4.133 17.428 7.593 132 HB2 ARG 15 HB2 ARG 15 1.396 18.810 7.633 133 HB3 ARG 15 HB1 ARG 15 2.829 19.416 8.535 134 HG2 ARG 15 HG2 ARG 15 2.661 20.674 6.459 135 HG3 ARG 15 HG1 ARG 15 4.096 19.603 6.357 136 HD2 ARG 15 HD2 ARG 15 2.681 19.717 4.199 137 HD3 ARG 15 HD1 ARG 15 2.898 18.032 4.837 138 HE ARG 15 HE ARG 15 0.575 17.968 5.325 139 HH11 ARG 15 HH11 ARG 15 1.643 21.295 4.597 140 HH12 ARG 15 HH12 ARG 15 0.043 21.951 4.508 141 HH21 ARG 15 HH21 ARG 15 -1.597 18.867 5.198 142 HH22 ARG 15 HH22 ARG 15 -1.828 20.548 4.856 143 H LYS 16 HN LYS 16 1.098 15.853 8.231 144 HA LYS 16 HA LYS 16 1.098 16.090 11.013 145 HB2 LYS 16 HB2 LYS 16 -0.894 15.293 9.738 146 HB3 LYS 16 HB1 LYS 16 0.042 13.858 9.199 147 HG2 LYS 16 HG2 LYS 16 0.149 12.973 11.468 148 HG3 LYS 16 HG1 LYS 16 -0.545 14.487 12.153 149 HD2 LYS 16 HD2 LYS 16 -2.273 12.728 12.032 150 HD3 LYS 16 HD1 LYS 16 -2.675 14.075 10.909 151 HE2 LYS 16 HE2 LYS 16 -1.793 12.758 8.974 152 HE3 LYS 16 HE1 LYS 16 -1.333 11.407 10.095 153 HZ1 LYS 16 HZ1 LYS 16 -3.634 11.159 10.682 154 HZ2 LYS 16 HZ2 LYS 16 -3.450 11.054 8.998 155 HZ3 LYS 16 HZ3 LYS 16 -4.087 12.465 9.696 156 H LYS 17 HN LYS 17 2.643 13.913 8.692 157 HA LYS 17 HA LYS 17 3.591 12.122 10.678 158 HB2 LYS 17 HB2 LYS 17 3.828 12.467 7.721 159 HB3 LYS 17 HB1 LYS 17 5.348 11.885 8.489 160 HG2 LYS 17 HG2 LYS 17 4.523 9.808 8.733 161 HG3 LYS 17 HG1 LYS 17 3.069 10.421 9.600 162 HD2 LYS 17 HD2 LYS 17 3.280 10.616 6.551 163 HD3 LYS 17 HD1 LYS 17 2.779 9.082 7.338 164 HE2 LYS 17 HE2 LYS 17 1.350 11.619 8.227 165 HE3 LYS 17 HE1 LYS 17 0.990 10.982 6.565 166 HZ1 LYS 17 HZ1 LYS 17 -0.144 9.327 7.425 167 HZ2 LYS 17 HZ2 LYS 17 -0.075 10.126 8.922 168 HZ3 LYS 17 HZ3 LYS 17 1.062 8.920 8.550 Start of MODEL 2 1 H1 GLU 1 HT1 GLU 1 6.623 17.203 -15.749 2 H2 GLU 1 HT2 GLU 1 6.428 16.807 -17.390 3 H3 GLU 1 HT3 GLU 1 7.721 16.150 -16.505 4 HA GLU 1 HA GLU 1 5.016 15.285 -16.731 5 HB2 GLU 1 HB2 GLU 1 7.644 14.081 -15.702 6 HB3 GLU 1 HB1 GLU 1 6.105 13.148 -15.749 7 HG2 GLU 1 HG2 GLU 1 5.969 13.372 -18.211 8 HG3 GLU 1 HG1 GLU 1 7.416 14.456 -18.227 9 H MET 2 HN MET 2 7.291 15.966 -13.988 10 HA MET 2 HA MET 2 4.930 16.079 -12.286 11 HB2 MET 2 HB2 MET 2 7.277 14.209 -11.945 12 HB3 MET 2 HB1 MET 2 6.722 15.092 -10.481 13 HG2 MET 2 HG2 MET 2 4.890 13.408 -12.291 14 HG3 MET 2 HG1 MET 2 5.694 12.787 -10.814 15 HE1 MET 2 HE1 MET 2 3.400 11.960 -10.062 16 HE2 MET 2 HE2 MET 2 2.613 12.681 -11.508 17 HE3 MET 2 HE3 MET 2 1.927 12.973 -9.873 18 H ARG 3 HN ARG 3 5.521 17.067 -10.130 19 HA ARG 3 HA ARG 3 7.563 19.048 -10.635 20 HB2 ARG 3 HB2 ARG 3 5.285 20.038 -10.565 21 HB3 ARG 3 HB1 ARG 3 5.038 19.241 -8.973 22 HG2 ARG 3 HG2 ARG 3 6.744 20.615 -7.917 23 HG3 ARG 3 HG1 ARG 3 7.278 21.281 -9.501 24 HD2 ARG 3 HD2 ARG 3 5.863 22.948 -8.297 25 HD3 ARG 3 HD1 ARG 3 4.993 22.356 -9.777 26 HE ARG 3 HE ARG 3 3.414 21.269 -8.380 27 HH11 ARG 3 HH11 ARG 3 6.228 22.412 -6.511 28 HH12 ARG 3 HH12 ARG 3 5.513 22.113 -4.963 29 HH21 ARG 3 HH21 ARG 3 2.446 20.866 -6.275 30 HH22 ARG 3 HH22 ARG 3 3.327 21.218 -4.827 31 H LEU 4 HN LEU 4 5.786 17.434 -8.073 32 HA LEU 4 HA LEU 4 7.796 17.859 -6.168 33 HB2 LEU 4 HB2 LEU 4 5.998 15.441 -6.001 34 HB3 LEU 4 HB1 LEU 4 6.395 16.639 -4.708 35 HG LEU 4 HG LEU 4 4.936 18.297 -6.147 36 HD11 LEU 4 HD11 LEU 4 3.969 17.475 -8.041 37 HD12 LEU 4 HD12 LEU 4 3.024 16.323 -7.020 38 HD13 LEU 4 HD13 LEU 4 4.617 15.820 -7.701 39 HD21 LEU 4 HD21 LEU 4 4.287 17.598 -3.903 40 HD22 LEU 4 HD22 LEU 4 3.782 15.966 -4.490 41 HD23 LEU 4 HD23 LEU 4 2.839 17.431 -4.969 42 H SER 5 HN SER 5 6.971 15.449 -8.598 43 HA SER 5 HA SER 5 7.970 13.622 -9.315 44 HB2 SER 5 HB2 SER 5 10.477 15.107 -8.346 45 HB3 SER 5 HB1 SER 5 10.560 13.529 -9.229 46 HG SER 5 HG SER 5 9.775 16.068 -10.091 47 H ORN 6 HN ORN 6 10.633 13.670 -6.980 48 HA ORN 6 HA ORN 6 9.435 11.285 -5.765 49 HB2 ORN 6 HB1 ORN 6 12.250 12.225 -6.378 50 HB3 ORN 6 HB2 ORN 6 11.548 10.588 -6.546 51 HG2 ORN 6 HG1 ORN 6 12.097 11.757 -3.762 52 HG3 ORN 6 HG2 ORN 6 13.413 11.043 -4.742 53 HD2 ORN 6 HD2 ORN 6 10.968 9.313 -4.621 54 HD3 ORN 6 HD1 ORN 6 12.710 8.893 -4.375 55 H PHE 7 HN PHE 7 9.681 14.575 -5.327 56 HA PHE 7 HA PHE 7 10.459 15.839 -3.581 57 HB2 PHE 7 HB2 PHE 7 8.235 16.074 -2.247 58 HB3 PHE 7 HB1 PHE 7 8.204 16.390 -3.992 59 HD1 PHE 7 HD1 PHE 7 6.523 15.023 -1.401 60 HD2 PHE 7 HD2 PHE 7 7.676 14.125 -5.350 61 HE1 PHE 7 HE1 PHE 7 4.618 13.574 -1.615 62 HE2 PHE 7 HE2 PHE 7 5.767 12.676 -5.576 63 HZ PHE 7 HZ PHE 7 4.219 12.415 -3.677 64 H PHE 8 HN PHE 8 8.305 14.509 -1.372 65 HA PHE 8 HA PHE 8 10.540 13.406 0.134 66 HB2 PHE 8 HB2 PHE 8 8.399 14.433 1.897 67 HB3 PHE 8 HB1 PHE 8 10.140 14.963 1.839 68 HD1 PHE 8 HD1 PHE 8 6.815 15.560 0.795 69 HD2 PHE 8 HD2 PHE 8 10.852 16.560 0.227 70 HE1 PHE 8 HE1 PHE 8 6.140 17.290 -0.696 71 HE2 PHE 8 HE2 PHE 8 10.181 18.359 -1.234 72 HZ PHE 8 HZ PHE 8 7.812 18.647 -1.724 73 H ARG 9 HN ARG 9 8.212 12.608 -1.718 74 HA ARG 9 HA ARG 9 6.264 11.194 -0.382 75 HB2 ARG 9 HB2 ARG 9 6.670 11.564 -2.982 76 HB3 ARG 9 HB1 ARG 9 7.605 10.049 -2.871 77 HG2 ARG 9 HG2 ARG 9 5.654 8.802 -2.092 78 HG3 ARG 9 HG1 ARG 9 4.685 10.308 -1.939 79 HD2 ARG 9 HD2 ARG 9 4.003 9.207 -4.024 80 HD3 ARG 9 HD1 ARG 9 5.017 10.640 -4.504 81 HE ARG 9 HE ARG 9 6.733 8.342 -4.189 82 HH11 ARG 9 HH11 ARG 9 4.125 9.640 -6.237 83 HH12 ARG 9 HH12 ARG 9 4.648 8.839 -7.680 84 HH21 ARG 9 HH21 ARG 9 7.447 7.252 -6.151 85 HH22 ARG 9 HH22 ARG 9 6.570 7.457 -7.629 86 H ASN 10 HN ASN 10 9.677 10.372 -1.027 87 HA ASN 10 HA ASN 10 9.457 7.638 -0.538 88 HB2 ASN 10 HB2 ASN 10 11.793 9.584 -0.085 89 HB3 ASN 10 HB1 ASN 10 11.939 7.794 0.082 90 HD21 ASN 10 HD21 ASN 10 11.719 10.518 -2.150 91 H PHE 11 HN PHE 11 9.314 10.453 1.589 92 HA PHE 11 HA PHE 11 9.662 8.690 3.887 93 HB2 PHE 11 HB2 PHE 11 9.220 11.741 3.736 94 HB3 PHE 11 HB1 PHE 11 9.427 10.804 5.264 95 HD1 PHE 11 HD1 PHE 11 11.072 12.341 2.415 96 HD2 PHE 11 HD2 PHE 11 11.598 9.768 5.758 97 HE1 PHE 11 HE1 PHE 11 13.499 12.648 2.271 98 HE2 PHE 11 HE2 PHE 11 14.025 10.081 5.612 99 HZ PHE 11 HZ PHE 11 14.978 11.520 3.870 100 H ILE 12 HN ILE 12 7.342 11.374 2.920 101 HA ILE 12 HA ILE 12 5.121 9.730 2.876 102 HB ILE 12 HB ILE 12 4.113 11.179 4.947 103 HG12 ILE 12 HG12 ILE 12 5.748 10.524 6.908 104 HG13 ILE 12 HG11 ILE 12 7.023 10.552 5.655 105 HG21 ILE 12 HG21 ILE 12 4.713 8.764 6.191 106 HG22 ILE 12 HG22 ILE 12 4.924 8.343 4.451 107 HG23 ILE 12 HG23 ILE 12 3.360 9.029 5.029 108 HD11 ILE 12 HD11 ILE 12 6.775 12.883 5.248 109 HD12 ILE 12 HD12 ILE 12 6.499 12.764 7.029 110 HD13 ILE 12 HD13 ILE 12 5.093 12.917 5.907 111 H LEU 13 HN LEU 13 6.637 12.826 3.457 112 HA LEU 13 HA LEU 13 6.390 14.691 2.354 113 HB2 LEU 13 HB2 LEU 13 5.546 14.406 0.228 114 HB3 LEU 13 HB1 LEU 13 4.483 13.067 0.764 115 HG LEU 13 HG LEU 13 3.782 15.965 1.442 116 HD11 LEU 13 HD11 LEU 13 2.622 16.324 -0.627 117 HD12 LEU 13 HD12 LEU 13 2.949 14.641 -1.189 118 HD13 LEU 13 HD13 LEU 13 4.311 15.825 -1.037 119 HD21 LEU 13 HD21 LEU 13 2.609 13.470 2.044 120 HD22 LEU 13 HD22 LEU 13 1.596 14.107 0.688 121 HD23 LEU 13 HD23 LEU 13 1.825 15.093 2.189 122 H GLN 14 HN GLN 14 3.811 13.159 4.208 123 HA GLN 14 HA GLN 14 2.445 15.598 4.568 124 HB2 GLN 14 HB2 GLN 14 2.144 12.813 5.514 125 HB3 GLN 14 HB1 GLN 14 1.737 14.026 6.776 126 HG2 GLN 14 HG2 GLN 14 -0.331 13.987 5.747 127 HG3 GLN 14 HG1 GLN 14 0.462 15.185 4.641 128 HE21 GLN 14 HE21 GLN 14 -1.298 14.264 3.151 129 HE22 GLN 14 HE22 GLN 14 -0.887 12.878 2.199 130 H ARG 15 HN ARG 15 1.957 16.237 6.974 131 HA ARG 15 HA ARG 15 4.573 16.808 8.083 132 HB2 ARG 15 HB2 ARG 15 2.080 18.435 8.683 133 HB3 ARG 15 HB1 ARG 15 3.800 18.956 8.748 134 HG2 ARG 15 HG2 ARG 15 2.906 20.056 6.826 135 HG3 ARG 15 HG1 ARG 15 3.850 18.677 6.168 136 HD2 ARG 15 HD2 ARG 15 1.847 17.410 5.638 137 HD3 ARG 15 HD1 ARG 15 0.792 18.496 6.643 138 HE ARG 15 HE ARG 15 1.705 18.931 3.893 139 HH11 ARG 15 HH11 ARG 15 0.689 20.478 6.944 140 HH12 ARG 15 HH12 ARG 15 0.104 21.926 6.195 141 HH21 ARG 15 HH21 ARG 15 0.908 20.904 2.880 142 HH22 ARG 15 HH22 ARG 15 0.231 22.170 3.846 143 H LYS 16 HN LYS 16 1.250 15.749 8.611 144 HA LYS 16 HA LYS 16 1.509 15.640 11.431 145 HB2 LYS 16 HB2 LYS 16 -0.606 14.330 11.383 146 HB3 LYS 16 HB1 LYS 16 -0.740 15.816 10.391 147 HG2 LYS 16 HG2 LYS 16 -0.260 14.442 8.337 148 HG3 LYS 16 HG1 LYS 16 -0.241 12.969 9.369 149 HD2 LYS 16 HD2 LYS 16 -2.583 13.390 10.061 150 HD3 LYS 16 HD1 LYS 16 -2.612 14.914 9.103 151 HE2 LYS 16 HE2 LYS 16 -2.212 13.613 7.012 152 HE3 LYS 16 HE1 LYS 16 -2.196 12.079 7.976 153 HZ1 LYS 16 HZ1 LYS 16 -4.420 12.290 8.467 154 HZ2 LYS 16 HZ2 LYS 16 -4.343 12.807 6.851 155 HZ3 LYS 16 HZ3 LYS 16 -4.484 13.946 8.102 156 H LYS 17 HN LYS 17 2.507 13.695 8.771 157 HA LYS 17 HA LYS 17 2.658 11.292 10.337 158 HB2 LYS 17 HB2 LYS 17 3.130 12.077 7.483 159 HB3 LYS 17 HB1 LYS 17 4.319 10.891 8.123 160 HG2 LYS 17 HG2 LYS 17 2.823 9.193 8.135 161 HG3 LYS 17 HG1 LYS 17 1.544 10.204 8.895 162 HD2 LYS 17 HD2 LYS 17 2.211 10.760 5.992 163 HD3 LYS 17 HD1 LYS 17 1.365 9.219 6.358 164 HE2 LYS 17 HE2 LYS 17 0.267 11.756 7.650 165 HE3 LYS 17 HE1 LYS 17 0.004 11.515 5.867 166 HZ1 LYS 17 HZ1 LYS 17 -0.542 9.333 7.783 167 HZ2 LYS 17 HZ2 LYS 17 -1.187 9.612 6.237 168 HZ3 LYS 17 HZ3 LYS 17 -1.667 10.582 7.546 Start of MODEL 3 1 H1 GLU 1 HT1 GLU 1 6.236 17.366 -14.656 2 H2 GLU 1 HT2 GLU 1 5.717 17.249 -16.269 3 H3 GLU 1 HT3 GLU 1 6.182 15.852 -15.425 4 HA GLU 1 HA GLU 1 3.682 17.202 -15.501 5 HB2 GLU 1 HB2 GLU 1 4.696 14.484 -14.503 6 HB3 GLU 1 HB1 GLU 1 2.958 14.948 -14.443 7 HG2 GLU 1 HG2 GLU 1 2.862 15.168 -16.904 8 HG3 GLU 1 HG1 GLU 1 4.644 14.893 -17.038 9 H MET 2 HN MET 2 5.842 15.970 -12.849 10 HA MET 2 HA MET 2 4.367 17.772 -11.077 11 HB2 MET 2 HB2 MET 2 5.155 14.874 -10.507 12 HB3 MET 2 HB1 MET 2 4.865 16.072 -9.199 13 HG2 MET 2 HG2 MET 2 2.543 16.417 -9.988 14 HG3 MET 2 HG1 MET 2 2.813 15.293 -11.362 15 HE1 MET 2 HE1 MET 2 0.585 14.344 -10.621 16 HE2 MET 2 HE2 MET 2 0.455 15.262 -9.081 17 HE3 MET 2 HE3 MET 2 0.242 13.477 -9.084 18 H ARG 3 HN ARG 3 5.532 18.522 -9.302 19 HA ARG 3 HA ARG 3 8.346 18.567 -9.849 20 HB2 ARG 3 HB2 ARG 3 7.145 20.711 -9.363 21 HB3 ARG 3 HB1 ARG 3 6.660 19.992 -7.789 22 HG2 ARG 3 HG2 ARG 3 8.919 19.933 -6.980 23 HG3 ARG 3 HG1 ARG 3 9.595 20.330 -8.601 24 HD2 ARG 3 HD2 ARG 3 8.595 22.615 -8.494 25 HD3 ARG 3 HD1 ARG 3 7.824 22.216 -6.898 26 HE ARG 3 HE ARG 3 9.943 22.435 -5.857 27 HH11 ARG 3 HH11 ARG 3 10.252 22.374 -9.411 28 HH12 ARG 3 HH12 ARG 3 11.925 22.821 -9.423 29 HH21 ARG 3 HH21 ARG 3 12.214 23.042 -5.881 30 HH22 ARG 3 HH22 ARG 3 13.058 23.207 -7.384 31 H LEU 4 HN LEU 4 6.030 17.952 -7.256 32 HA LEU 4 HA LEU 4 8.147 16.726 -5.776 33 HB2 LEU 4 HB2 LEU 4 6.208 16.108 -4.172 34 HB3 LEU 4 HB1 LEU 4 6.736 17.820 -4.224 35 HG LEU 4 HG LEU 4 4.432 16.744 -5.919 36 HD11 LEU 4 HD11 LEU 4 4.446 17.704 -3.011 37 HD12 LEU 4 HD12 LEU 4 3.702 16.217 -3.726 38 HD13 LEU 4 HD13 LEU 4 2.972 17.842 -4.050 39 HD21 LEU 4 HD21 LEU 4 4.365 18.834 -6.765 40 HD22 LEU 4 HD22 LEU 4 5.829 19.266 -5.798 41 HD23 LEU 4 HD23 LEU 4 4.177 19.534 -5.108 42 H SER 5 HN SER 5 8.401 15.384 -7.590 43 HA SER 5 HA SER 5 6.542 13.144 -7.487 44 HB2 SER 5 HB2 SER 5 7.031 13.988 -9.831 45 HB3 SER 5 HB1 SER 5 8.789 13.687 -9.539 46 HG SER 5 HG SER 5 8.481 11.637 -9.768 47 H ORN 6 HN ORN 6 7.154 11.718 -5.877 48 HA ORN 6 HA ORN 6 8.388 10.260 -4.769 49 HB2 ORN 6 HB1 ORN 6 11.070 10.862 -6.005 50 HB3 ORN 6 HB2 ORN 6 9.836 10.130 -7.091 51 HG2 ORN 6 HG1 ORN 6 10.494 8.119 -6.250 52 HG3 ORN 6 HG2 ORN 6 9.601 8.570 -4.760 53 HD2 ORN 6 HD2 ORN 6 12.435 8.046 -5.049 54 HD3 ORN 6 HD1 ORN 6 12.264 9.807 -4.670 55 H PHE 7 HN PHE 7 9.234 13.558 -5.222 56 HA PHE 7 HA PHE 7 10.878 14.785 -4.104 57 HB2 PHE 7 HB2 PHE 7 9.239 15.631 -2.157 58 HB3 PHE 7 HB1 PHE 7 8.845 15.934 -3.862 59 HD1 PHE 7 HD1 PHE 7 7.560 14.932 -0.843 60 HD2 PHE 7 HD2 PHE 7 7.508 13.932 -4.910 61 HE1 PHE 7 HE1 PHE 7 5.368 13.988 -0.569 62 HE2 PHE 7 HE2 PHE 7 5.317 13.004 -4.678 63 HZ PHE 7 HZ PHE 7 4.233 13.030 -2.458 64 H PHE 8 HN PHE 8 9.183 14.138 -1.213 65 HA PHE 8 HA PHE 8 11.585 12.849 -0.172 66 HB2 PHE 8 HB2 PHE 8 9.772 14.036 1.884 67 HB3 PHE 8 HB1 PHE 8 11.538 14.382 1.615 68 HD1 PHE 8 HD1 PHE 8 8.258 15.495 1.263 69 HD2 PHE 8 HD2 PHE 8 12.130 15.721 -0.373 70 HE1 PHE 8 HE1 PHE 8 7.538 17.301 -0.150 71 HE2 PHE 8 HE2 PHE 8 11.432 17.568 -1.756 72 HZ PHE 8 HZ PHE 8 9.106 18.273 -1.684 73 H ARG 9 HN ARG 9 8.742 12.387 -1.488 74 HA ARG 9 HA ARG 9 7.121 10.900 0.174 75 HB2 ARG 9 HB2 ARG 9 6.829 11.677 -2.357 76 HB3 ARG 9 HB1 ARG 9 7.561 10.085 -2.721 77 HG2 ARG 9 HG2 ARG 9 5.758 8.900 -1.581 78 HG3 ARG 9 HG1 ARG 9 5.084 10.434 -0.931 79 HD2 ARG 9 HD2 ARG 9 3.698 9.744 -2.848 80 HD3 ARG 9 HD1 ARG 9 4.677 11.180 -3.386 81 HE ARG 9 HE ARG 9 6.136 8.753 -3.967 82 HH11 ARG 9 HH11 ARG 9 3.245 10.606 -4.908 83 HH12 ARG 9 HH12 ARG 9 3.244 10.066 -6.553 84 HH21 ARG 9 HH21 ARG 9 6.136 8.013 -6.203 85 HH22 ARG 9 HH22 ARG 9 4.917 8.565 -7.302 86 H ASN 10 HN ASN 10 10.304 10.185 -0.997 87 HA ASN 10 HA ASN 10 10.134 7.416 -1.181 88 HB2 ASN 10 HB2 ASN 10 12.428 9.202 -0.153 89 HB3 ASN 10 HB1 ASN 10 12.598 7.439 -0.451 90 HD21 ASN 10 HD21 ASN 10 10.525 8.237 -2.921 91 H PHE 11 HN PHE 11 10.338 9.729 1.566 92 HA PHE 11 HA PHE 11 10.150 7.422 3.377 93 HB2 PHE 11 HB2 PHE 11 11.019 10.324 3.951 94 HB3 PHE 11 HB1 PHE 11 10.817 9.044 5.208 95 HD1 PHE 11 HD1 PHE 11 12.914 10.350 2.520 96 HD2 PHE 11 HD2 PHE 11 12.378 7.184 5.308 97 HE1 PHE 11 HE1 PHE 11 15.241 9.659 2.187 98 HE2 PHE 11 HE2 PHE 11 14.707 6.497 4.971 99 HZ PHE 11 HZ PHE 11 16.140 7.732 3.411 100 H ILE 12 HN ILE 12 9.011 10.934 3.095 101 HA ILE 12 HA ILE 12 6.338 10.154 3.344 102 HB ILE 12 HB ILE 12 6.080 11.791 5.414 103 HG12 ILE 12 HG12 ILE 12 7.932 10.825 7.121 104 HG13 ILE 12 HG11 ILE 12 8.948 10.805 5.640 105 HG21 ILE 12 HG21 ILE 12 5.327 9.355 5.068 106 HG22 ILE 12 HG22 ILE 12 5.641 9.858 6.771 107 HG23 ILE 12 HG23 ILE 12 6.856 8.863 5.891 108 HD11 ILE 12 HD11 ILE 12 9.002 12.960 7.127 109 HD12 ILE 12 HD12 ILE 12 7.362 13.313 6.462 110 HD13 ILE 12 HD13 ILE 12 8.781 13.188 5.352 111 H LEU 13 HN LEU 13 6.783 13.149 4.806 112 HA LEU 13 HA LEU 13 7.779 14.781 3.006 113 HB2 LEU 13 HB2 LEU 13 6.563 14.793 1.060 114 HB3 LEU 13 HB1 LEU 13 5.581 13.444 1.699 115 HG LEU 13 HG LEU 13 4.745 16.126 2.729 116 HD11 LEU 13 HD11 LEU 13 5.559 16.227 0.091 117 HD12 LEU 13 HD12 LEU 13 4.221 17.220 0.794 118 HD13 LEU 13 HD13 LEU 13 3.840 15.698 -0.097 119 HD21 LEU 13 HD21 LEU 13 3.653 13.692 2.846 120 HD22 LEU 13 HD22 LEU 13 3.026 14.123 1.206 121 HD23 LEU 13 HD23 LEU 13 2.611 15.154 2.629 122 H GLN 14 HN GLN 14 5.452 13.762 5.328 123 HA GLN 14 HA GLN 14 4.865 14.773 7.202 124 HB2 GLN 14 HB2 GLN 14 6.939 16.492 6.524 125 HB3 GLN 14 HB1 GLN 14 5.529 17.606 6.478 126 HG2 GLN 14 HG2 GLN 14 5.044 17.314 8.775 127 HG3 GLN 14 HG1 GLN 14 5.895 15.715 8.849 128 HE21 GLN 14 HE21 GLN 14 6.446 19.271 8.371 129 HE22 GLN 14 HE22 GLN 14 8.058 19.286 9.000 130 H ARG 15 HN ARG 15 3.630 17.356 7.528 131 HA ARG 15 HA ARG 15 1.796 18.469 7.054 132 HB2 ARG 15 HB2 ARG 15 2.097 17.232 4.279 133 HB3 ARG 15 HB1 ARG 15 0.627 18.163 4.725 134 HG2 ARG 15 HG2 ARG 15 2.020 19.778 3.706 135 HG3 ARG 15 HG1 ARG 15 2.249 20.060 5.467 136 HD2 ARG 15 HD2 ARG 15 4.275 18.169 4.913 137 HD3 ARG 15 HD1 ARG 15 4.242 19.174 3.403 138 HE ARG 15 HE ARG 15 4.973 20.093 6.135 139 HH11 ARG 15 HH11 ARG 15 4.013 20.920 2.799 140 HH12 ARG 15 HH12 ARG 15 4.676 22.520 2.842 141 HH21 ARG 15 HH21 ARG 15 5.873 22.268 6.186 142 HH22 ARG 15 HH22 ARG 15 5.750 23.297 4.799 143 H LYS 16 HN LYS 16 1.180 15.469 5.185 144 HA LYS 16 HA LYS 16 -1.268 15.099 6.575 145 HB2 LYS 16 HB2 LYS 16 -1.397 12.910 5.387 146 HB3 LYS 16 HB1 LYS 16 -1.041 14.254 4.256 147 HG2 LYS 16 HG2 LYS 16 1.396 13.641 4.346 148 HG3 LYS 16 HG1 LYS 16 0.979 12.256 5.412 149 HD2 LYS 16 HD2 LYS 16 -0.452 11.279 3.652 150 HD3 LYS 16 HD1 LYS 16 -0.169 12.705 2.592 151 HE2 LYS 16 HE2 LYS 16 2.263 12.173 2.512 152 HE3 LYS 16 HE1 LYS 16 1.989 10.740 3.579 153 HZ1 LYS 16 HZ1 LYS 16 0.434 11.040 1.098 154 HZ2 LYS 16 HZ2 LYS 16 0.890 9.637 1.938 155 HZ3 LYS 16 HZ3 LYS 16 2.040 10.492 1.026 156 H LYS 17 HN LYS 17 2.019 14.473 7.215 157 HA LYS 17 HA LYS 17 1.305 12.403 9.166 158 HB2 LYS 17 HB2 LYS 17 4.112 13.359 8.346 159 HB3 LYS 17 HB1 LYS 17 3.725 11.946 9.388 160 HG2 LYS 17 HG2 LYS 17 2.975 12.237 6.415 161 HG3 LYS 17 HG1 LYS 17 4.358 11.286 7.063 162 HD2 LYS 17 HD2 LYS 17 2.773 9.831 8.334 163 HD3 LYS 17 HD1 LYS 17 1.382 10.796 7.731 164 HE2 LYS 17 HE2 LYS 17 1.916 10.130 5.383 165 HE3 LYS 17 HE1 LYS 17 3.334 9.165 5.973 166 HZ1 LYS 17 HZ1 LYS 17 0.740 8.333 5.709 167 HZ2 LYS 17 HZ2 LYS 17 0.939 8.532 7.384 168 HZ3 LYS 17 HZ3 LYS 17 1.998 7.528 6.517 Start of MODEL 4 1 H1 GLU 1 HT1 GLU 1 3.393 14.537 -15.414 2 H2 GLU 1 HT2 GLU 1 4.902 14.294 -14.675 3 H3 GLU 1 HT3 GLU 1 4.815 14.622 -16.340 4 HA GLU 1 HA GLU 1 5.458 16.616 -15.465 5 HB2 GLU 1 HB2 GLU 1 3.368 16.713 -16.943 6 HB3 GLU 1 HB1 GLU 1 2.387 16.761 -15.437 7 HG2 GLU 1 HG2 GLU 1 3.468 18.914 -14.762 8 HG3 GLU 1 HG1 GLU 1 4.517 18.863 -16.236 9 H MET 2 HN MET 2 6.366 16.219 -13.319 10 HA MET 2 HA MET 2 4.556 17.228 -11.261 11 HB2 MET 2 HB2 MET 2 6.294 14.722 -11.105 12 HB3 MET 2 HB1 MET 2 5.908 15.681 -9.635 13 HG2 MET 2 HG2 MET 2 3.822 14.451 -11.536 14 HG3 MET 2 HG1 MET 2 4.388 13.699 -10.010 15 HE1 MET 2 HE1 MET 2 1.387 14.254 -10.846 16 HE2 MET 2 HE2 MET 2 0.731 14.707 -9.235 17 HE3 MET 2 HE3 MET 2 1.963 13.405 -9.369 18 H ARG 3 HN ARG 3 5.746 18.024 -9.362 19 HA ARG 3 HA ARG 3 8.237 19.140 -10.283 20 HB2 ARG 3 HB2 ARG 3 6.493 20.804 -9.694 21 HB3 ARG 3 HB1 ARG 3 6.346 20.012 -8.086 22 HG2 ARG 3 HG2 ARG 3 8.575 20.693 -7.432 23 HG3 ARG 3 HG1 ARG 3 8.979 21.230 -9.101 24 HD2 ARG 3 HD2 ARG 3 8.494 23.208 -7.676 25 HD3 ARG 3 HD1 ARG 3 7.165 23.017 -8.904 26 HE ARG 3 HE ARG 3 6.493 21.582 -6.473 27 HH11 ARG 3 HH11 ARG 3 6.831 24.838 -7.877 28 HH12 ARG 3 HH12 ARG 3 5.644 25.572 -6.853 29 HH21 ARG 3 HH21 ARG 3 4.877 22.580 -5.077 30 HH22 ARG 3 HH22 ARG 3 4.515 24.266 -5.233 31 H LEU 4 HN LEU 4 6.625 17.954 -7.402 32 HA LEU 4 HA LEU 4 8.991 17.616 -5.955 33 HB2 LEU 4 HB2 LEU 4 6.638 15.777 -5.515 34 HB3 LEU 4 HB1 LEU 4 7.605 16.678 -4.285 35 HG LEU 4 HG LEU 4 6.445 18.813 -5.299 36 HD11 LEU 4 HD11 LEU 4 3.911 17.547 -5.833 37 HD12 LEU 4 HD12 LEU 4 5.125 16.697 -6.861 38 HD13 LEU 4 HD13 LEU 4 4.938 18.492 -6.980 39 HD21 LEU 4 HD21 LEU 4 6.076 18.058 -3.000 40 HD22 LEU 4 HD22 LEU 4 4.983 16.730 -3.554 41 HD23 LEU 4 HD23 LEU 4 4.472 18.455 -3.729 42 H SER 5 HN SER 5 7.078 15.752 -8.252 43 HA SER 5 HA SER 5 7.388 13.802 -9.226 44 HB2 SER 5 HB2 SER 5 9.581 14.900 -9.961 45 HB3 SER 5 HB1 SER 5 10.386 14.072 -8.573 46 HG SER 5 HG SER 5 10.241 13.084 -10.827 47 H ORN 6 HN ORN 6 10.258 12.773 -7.466 48 HA ORN 6 HA ORN 6 8.564 10.850 -6.048 49 HB2 ORN 6 HB1 ORN 6 11.369 10.853 -7.190 50 HB3 ORN 6 HB2 ORN 6 10.145 9.547 -7.209 51 HG2 ORN 6 HG1 ORN 6 11.557 10.303 -4.591 52 HG3 ORN 6 HG2 ORN 6 12.357 9.261 -5.806 53 HD2 ORN 6 HD2 ORN 6 9.529 8.458 -5.128 54 HD3 ORN 6 HD1 ORN 6 11.008 7.443 -5.366 55 H PHE 7 HN PHE 7 9.942 13.848 -5.638 56 HA PHE 7 HA PHE 7 11.341 14.722 -4.089 57 HB2 PHE 7 HB2 PHE 7 9.616 15.389 -2.230 58 HB3 PHE 7 HB1 PHE 7 9.348 15.924 -3.890 59 HD1 PHE 7 HD1 PHE 7 7.737 14.970 -1.105 60 HD2 PHE 7 HD2 PHE 7 7.962 13.933 -5.208 61 HE1 PHE 7 HE1 PHE 7 5.442 14.251 -1.070 62 HE2 PHE 7 HE2 PHE 7 5.679 13.192 -5.143 63 HZ PHE 7 HZ PHE 7 4.407 13.373 -3.051 64 H PHE 8 HN PHE 8 9.492 13.845 -1.439 65 HA PHE 8 HA PHE 8 11.577 12.012 -0.577 66 HB2 PHE 8 HB2 PHE 8 10.420 13.468 1.705 67 HB3 PHE 8 HB1 PHE 8 12.152 13.500 1.141 68 HD1 PHE 8 HD1 PHE 8 8.871 14.894 0.867 69 HD2 PHE 8 HD2 PHE 8 12.902 15.091 -0.344 70 HE1 PHE 8 HE1 PHE 8 8.403 16.903 -0.376 71 HE2 PHE 8 HE2 PHE 8 12.433 17.130 -1.548 72 HZ PHE 8 HZ PHE 8 10.140 17.955 -1.586 73 H ARG 9 HN ARG 9 8.718 12.121 -1.744 74 HA ARG 9 HA ARG 9 6.834 11.348 0.093 75 HB2 ARG 9 HB2 ARG 9 6.547 11.776 -2.452 76 HB3 ARG 9 HB1 ARG 9 7.123 10.102 -2.692 77 HG2 ARG 9 HG2 ARG 9 5.228 9.189 -1.452 78 HG3 ARG 9 HG1 ARG 9 4.698 10.831 -0.949 79 HD2 ARG 9 HD2 ARG 9 3.255 10.116 -2.811 80 HD3 ARG 9 HD1 ARG 9 4.384 11.385 -3.470 81 HE ARG 9 HE ARG 9 5.591 8.784 -3.803 82 HH11 ARG 9 HH11 ARG 9 2.887 10.804 -4.943 83 HH12 ARG 9 HH12 ARG 9 2.829 10.105 -6.526 84 HH21 ARG 9 HH21 ARG 9 5.514 7.833 -5.955 85 HH22 ARG 9 HH22 ARG 9 4.350 8.386 -7.111 86 H ASN 10 HN ASN 10 9.498 9.494 -1.392 87 HA ASN 10 HA ASN 10 8.552 6.956 -0.706 88 HB2 ASN 10 HB2 ASN 10 11.437 8.002 -0.975 89 HB3 ASN 10 HB1 ASN 10 10.987 6.258 -0.862 90 HD21 ASN 10 HD21 ASN 10 11.312 9.039 -2.951 91 H PHE 11 HN PHE 11 9.870 9.617 1.186 92 HA PHE 11 HA PHE 11 10.181 7.784 3.455 93 HB2 PHE 11 HB2 PHE 11 11.118 10.707 3.113 94 HB3 PHE 11 HB1 PHE 11 11.318 9.726 4.616 95 HD1 PHE 11 HD1 PHE 11 12.546 10.409 1.257 96 HD2 PHE 11 HD2 PHE 11 12.872 7.841 4.630 97 HE1 PHE 11 HE1 PHE 11 14.702 9.591 0.429 98 HE2 PHE 11 HE2 PHE 11 15.029 7.027 3.797 99 HZ PHE 11 HZ PHE 11 15.946 7.900 1.697 100 H ILE 12 HN ILE 12 9.230 11.329 3.108 101 HA ILE 12 HA ILE 12 6.609 10.764 3.874 102 HB ILE 12 HB ILE 12 6.527 12.216 5.794 103 HG12 ILE 12 HG12 ILE 12 9.023 12.519 6.879 104 HG13 ILE 12 HG11 ILE 12 9.416 12.618 5.127 105 HG21 ILE 12 HG21 ILE 12 7.415 10.695 7.491 106 HG22 ILE 12 HG22 ILE 12 8.572 9.977 6.308 107 HG23 ILE 12 HG23 ILE 12 6.795 9.722 6.105 108 HD11 ILE 12 HD11 ILE 12 8.515 14.714 4.947 109 HD12 ILE 12 HD12 ILE 12 8.411 14.732 6.750 110 HD13 ILE 12 HD13 ILE 12 6.983 14.214 5.769 111 H LEU 13 HN LEU 13 5.366 12.493 3.855 112 HA LEU 13 HA LEU 13 6.068 15.028 3.519 113 HB2 LEU 13 HB2 LEU 13 6.939 13.879 1.196 114 HB3 LEU 13 HB1 LEU 13 5.233 14.288 0.765 115 HG LEU 13 HG LEU 13 6.890 16.137 0.304 116 HD11 LEU 13 HD11 LEU 13 5.464 17.936 1.088 117 HD12 LEU 13 HD12 LEU 13 4.846 16.930 2.456 118 HD13 LEU 13 HD13 LEU 13 4.397 16.517 0.757 119 HD21 LEU 13 HD21 LEU 13 7.891 15.435 2.853 120 HD22 LEU 13 HD22 LEU 13 7.049 17.007 3.148 121 HD23 LEU 13 HD23 LEU 13 8.351 16.907 1.902 122 H GLN 14 HN GLN 14 4.443 14.034 5.038 123 HA GLN 14 HA GLN 14 1.857 14.564 3.801 124 HB2 GLN 14 HB2 GLN 14 2.531 12.482 5.945 125 HB3 GLN 14 HB1 GLN 14 0.855 13.073 5.641 126 HG2 GLN 14 HG2 GLN 14 1.050 12.357 3.243 127 HG3 GLN 14 HG1 GLN 14 2.692 11.670 3.600 128 HE21 GLN 14 HE21 GLN 14 2.352 9.459 3.495 129 HE22 GLN 14 HE22 GLN 14 1.194 8.593 4.446 130 H ARG 15 HN ARG 15 0.299 15.480 5.389 131 HA ARG 15 HA ARG 15 1.854 17.356 6.958 132 HB2 ARG 15 HB2 ARG 15 -0.943 17.317 5.791 133 HB3 ARG 15 HB1 ARG 15 -0.597 18.389 7.195 134 HG2 ARG 15 HG2 ARG 15 -0.331 19.490 4.906 135 HG3 ARG 15 HG1 ARG 15 1.090 19.621 5.993 136 HD2 ARG 15 HD2 ARG 15 1.777 19.095 3.614 137 HD3 ARG 15 HD1 ARG 15 2.241 17.738 4.729 138 HE ARG 15 HE ARG 15 0.639 16.353 3.637 139 HH11 ARG 15 HH11 ARG 15 0.217 19.783 2.730 140 HH12 ARG 15 HH12 ARG 15 -0.898 19.463 1.444 141 HH21 ARG 15 HH21 ARG 15 -0.874 15.930 1.884 142 HH22 ARG 15 HH22 ARG 15 -1.528 17.238 0.957 143 H LYS 16 HN LYS 16 0.865 14.348 7.579 144 HA LYS 16 HA LYS 16 -0.521 14.919 10.036 145 HB2 LYS 16 HB2 LYS 16 0.029 12.374 10.453 146 HB3 LYS 16 HB1 LYS 16 -1.221 12.796 9.236 147 HG2 LYS 16 HG2 LYS 16 0.124 12.196 7.425 148 HG3 LYS 16 HG1 LYS 16 1.658 12.531 8.303 149 HD2 LYS 16 HD2 LYS 16 -0.201 10.228 9.105 150 HD3 LYS 16 HD1 LYS 16 1.035 10.048 7.810 151 HE2 LYS 16 HE2 LYS 16 2.811 10.805 9.479 152 HE3 LYS 16 HE1 LYS 16 1.537 10.789 10.767 153 HZ1 LYS 16 HZ1 LYS 16 1.600 8.383 9.204 154 HZ2 LYS 16 HZ2 LYS 16 1.634 8.608 10.886 155 HZ3 LYS 16 HZ3 LYS 16 3.072 8.696 9.988 156 H LYS 17 HN LYS 17 2.645 14.775 8.758 157 HA LYS 17 HA LYS 17 4.057 13.931 11.006 158 HB2 LYS 17 HB2 LYS 17 4.607 15.093 8.357 159 HB3 LYS 17 HB1 LYS 17 5.610 15.908 9.609 160 HG2 LYS 17 HG2 LYS 17 6.820 14.012 8.650 161 HG3 LYS 17 HG1 LYS 17 6.461 13.709 10.381 162 HD2 LYS 17 HD2 LYS 17 6.125 11.692 8.913 163 HD3 LYS 17 HD1 LYS 17 4.651 12.173 9.817 164 HE2 LYS 17 HE2 LYS 17 3.593 13.071 7.836 165 HE3 LYS 17 HE1 LYS 17 5.152 13.071 6.900 166 HZ1 LYS 17 HZ1 LYS 17 5.139 10.622 7.170 167 HZ2 LYS 17 HZ2 LYS 17 3.845 11.228 6.252 168 HZ3 LYS 17 HZ3 LYS 17 3.587 10.722 7.852 Start of MODEL 5 1 H1 GLU 1 HT1 GLU 1 8.500 21.857 -12.711 2 H2 GLU 1 HT2 GLU 1 7.506 22.551 -11.521 3 H3 GLU 1 HT3 GLU 1 7.540 23.207 -13.088 4 HA GLU 1 HA GLU 1 5.580 21.776 -12.452 5 HB2 GLU 1 HB2 GLU 1 6.105 22.493 -14.796 6 HB3 GLU 1 HB1 GLU 1 7.267 21.130 -14.943 7 HG2 GLU 1 HG2 GLU 1 5.157 20.540 -16.093 8 HG3 GLU 1 HG1 GLU 1 5.343 19.491 -14.634 9 H MET 2 HN MET 2 5.326 20.073 -11.019 10 HA MET 2 HA MET 2 6.439 17.557 -11.830 11 HB2 MET 2 HB2 MET 2 7.263 17.081 -9.427 12 HB3 MET 2 HB1 MET 2 8.362 18.095 -10.449 13 HG2 MET 2 HG2 MET 2 7.430 20.161 -9.384 14 HG3 MET 2 HG1 MET 2 6.329 19.155 -8.390 15 HE1 MET 2 HE1 MET 2 8.027 21.339 -7.220 16 HE2 MET 2 HE2 MET 2 8.733 20.579 -5.753 17 HE3 MET 2 HE3 MET 2 7.034 20.224 -6.219 18 H ARG 3 HN ARG 3 5.756 15.829 -10.362 19 HA ARG 3 HA ARG 3 3.254 16.577 -9.161 20 HB2 ARG 3 HB2 ARG 3 2.331 14.456 -9.749 21 HB3 ARG 3 HB1 ARG 3 3.148 15.100 -11.220 22 HG2 ARG 3 HG2 ARG 3 5.248 13.784 -10.149 23 HG3 ARG 3 HG1 ARG 3 3.924 12.795 -9.436 24 HD2 ARG 3 HD2 ARG 3 3.995 13.507 -12.422 25 HD3 ARG 3 HD1 ARG 3 4.816 12.023 -11.760 26 HE ARG 3 HE ARG 3 2.131 12.071 -10.757 27 HH11 ARG 3 HH11 ARG 3 3.921 11.813 -13.825 28 HH12 ARG 3 HH12 ARG 3 2.734 10.830 -14.614 29 HH21 ARG 3 HH21 ARG 3 0.516 10.732 -11.827 30 HH22 ARG 3 HH22 ARG 3 0.763 10.205 -13.458 31 H LEU 4 HN LEU 4 6.144 16.445 -8.435 32 HA LEU 4 HA LEU 4 7.134 16.306 -6.448 33 HB2 LEU 4 HB2 LEU 4 5.060 14.315 -5.448 34 HB3 LEU 4 HB1 LEU 4 6.224 15.288 -4.472 35 HG LEU 4 HG LEU 4 3.788 16.348 -5.994 36 HD11 LEU 4 HD11 LEU 4 3.717 15.031 -3.629 37 HD12 LEU 4 HD12 LEU 4 2.662 16.458 -3.975 38 HD13 LEU 4 HD13 LEU 4 4.169 16.665 -3.004 39 HD21 LEU 4 HD21 LEU 4 4.373 18.571 -4.953 40 HD22 LEU 4 HD22 LEU 4 5.608 18.004 -6.146 41 HD23 LEU 4 HD23 LEU 4 5.931 17.864 -4.373 42 H SER 5 HN SER 5 5.660 13.612 -8.094 43 HA SER 5 HA SER 5 6.413 11.664 -8.719 44 HB2 SER 5 HB2 SER 5 8.345 13.022 -9.715 45 HB3 SER 5 HB1 SER 5 9.279 12.673 -8.210 46 HG SER 5 HG SER 5 8.800 11.132 -10.384 47 H ORN 6 HN ORN 6 9.423 11.268 -7.098 48 HA ORN 6 HA ORN 6 8.010 9.830 -4.961 49 HB2 ORN 6 HB1 ORN 6 10.976 9.481 -5.611 50 HB3 ORN 6 HB2 ORN 6 9.743 8.621 -6.597 51 HG2 ORN 6 HG1 ORN 6 9.269 7.119 -4.932 52 HG3 ORN 6 HG2 ORN 6 9.320 8.367 -3.642 53 HD2 ORN 6 HD2 ORN 6 11.309 6.359 -4.246 54 HD3 ORN 6 HD1 ORN 6 12.040 7.952 -4.686 55 H PHE 7 HN PHE 7 8.531 12.749 -5.204 56 HA PHE 7 HA PHE 7 10.258 14.164 -4.309 57 HB2 PHE 7 HB2 PHE 7 8.617 15.030 -2.425 58 HB3 PHE 7 HB1 PHE 7 8.117 15.103 -4.125 59 HD1 PHE 7 HD1 PHE 7 7.135 14.372 -0.943 60 HD2 PHE 7 HD2 PHE 7 6.818 12.875 -4.869 61 HE1 PHE 7 HE1 PHE 7 5.048 13.334 -0.368 62 HE2 PHE 7 HE2 PHE 7 4.702 11.845 -4.296 63 HZ PHE 7 HZ PHE 7 3.828 12.097 -2.017 64 H PHE 8 HN PHE 8 8.738 13.624 -1.309 65 HA PHE 8 HA PHE 8 11.203 12.473 -0.272 66 HB2 PHE 8 HB2 PHE 8 9.773 14.084 1.751 67 HB3 PHE 8 HB1 PHE 8 11.465 14.336 1.129 68 HD1 PHE 8 HD1 PHE 8 8.043 15.218 0.896 69 HD2 PHE 8 HD2 PHE 8 11.834 15.543 -0.881 70 HE1 PHE 8 HE1 PHE 8 7.137 16.764 -0.679 71 HE2 PHE 8 HE2 PHE 8 10.946 17.162 -2.436 72 HZ PHE 8 HZ PHE 8 8.571 17.695 -2.342 73 H ARG 9 HN ARG 9 8.380 11.785 -1.262 74 HA ARG 9 HA ARG 9 6.749 10.919 0.773 75 HB2 ARG 9 HB2 ARG 9 6.309 10.941 -1.793 76 HB3 ARG 9 HB1 ARG 9 7.186 9.387 -1.841 77 HG2 ARG 9 HG2 ARG 9 5.545 8.291 -0.451 78 HG3 ARG 9 HG1 ARG 9 4.767 9.850 -0.012 79 HD2 ARG 9 HD2 ARG 9 3.353 8.726 -1.695 80 HD3 ARG 9 HD1 ARG 9 4.152 10.144 -2.510 81 HE ARG 9 HE ARG 9 5.821 7.812 -2.824 82 HH11 ARG 9 HH11 ARG 9 2.684 9.183 -3.801 83 HH12 ARG 9 HH12 ARG 9 2.642 8.395 -5.342 84 HH21 ARG 9 HH21 ARG 9 5.769 6.739 -4.922 85 HH22 ARG 9 HH22 ARG 9 4.427 6.981 -5.990 86 H ASN 10 HN ASN 10 9.676 9.410 -0.657 87 HA ASN 10 HA ASN 10 9.237 6.866 0.386 88 HB2 ASN 10 HB2 ASN 10 11.843 8.373 -0.227 89 HB3 ASN 10 HB1 ASN 10 11.807 6.649 0.303 90 HD21 ASN 10 HD21 ASN 10 11.918 8.667 -2.414 91 H PHE 11 HN PHE 11 10.133 9.925 1.916 92 HA PHE 11 HA PHE 11 10.926 8.465 4.312 93 HB2 PHE 11 HB2 PHE 11 10.799 11.498 3.749 94 HB3 PHE 11 HB1 PHE 11 11.344 10.759 5.303 95 HD1 PHE 11 HD1 PHE 11 12.213 11.545 1.853 96 HD2 PHE 11 HD2 PHE 11 13.453 9.540 5.391 97 HE1 PHE 11 HE1 PHE 11 14.506 11.444 0.994 98 HE2 PHE 11 HE2 PHE 11 15.744 9.442 4.528 99 HZ PHE 11 HZ PHE 11 16.274 10.394 2.330 100 H ILE 12 HN ILE 12 8.735 11.311 3.544 101 HA ILE 12 HA ILE 12 6.433 10.034 4.371 102 HB ILE 12 HB ILE 12 6.180 11.856 6.363 103 HG12 ILE 12 HG12 ILE 12 8.121 11.510 7.941 104 HG13 ILE 12 HG11 ILE 12 9.066 10.810 6.587 105 HG21 ILE 12 HG21 ILE 12 5.754 9.223 6.110 106 HG22 ILE 12 HG22 ILE 12 5.832 9.992 7.740 107 HG23 ILE 12 HG23 ILE 12 7.260 9.101 7.094 108 HD11 ILE 12 HD11 ILE 12 9.326 13.398 7.205 109 HD12 ILE 12 HD12 ILE 12 7.802 13.585 6.264 110 HD13 ILE 12 HD13 ILE 12 9.271 12.903 5.472 111 H LEU 13 HN LEU 13 8.378 12.871 3.818 112 HA LEU 13 HA LEU 13 7.972 14.624 2.632 113 HB2 LEU 13 HB2 LEU 13 6.489 14.294 0.938 114 HB3 LEU 13 HB1 LEU 13 5.687 13.001 1.883 115 HG LEU 13 HG LEU 13 4.985 15.790 2.710 116 HD11 LEU 13 HD11 LEU 13 3.669 14.869 0.143 117 HD12 LEU 13 HD12 LEU 13 5.285 15.676 0.040 118 HD13 LEU 13 HD13 LEU 13 3.891 16.530 0.807 119 HD21 LEU 13 HD21 LEU 13 3.804 14.015 3.753 120 HD22 LEU 13 HD22 LEU 13 3.596 13.115 2.206 121 HD23 LEU 13 HD23 LEU 13 2.650 14.629 2.500 122 H GLN 14 HN GLN 14 5.720 13.720 5.219 123 HA GLN 14 HA GLN 14 5.251 14.688 7.097 124 HB2 GLN 14 HB2 GLN 14 6.779 15.998 8.152 125 HB3 GLN 14 HB1 GLN 14 7.760 15.689 6.682 126 HG2 GLN 14 HG2 GLN 14 6.673 17.817 5.682 127 HG3 GLN 14 HG1 GLN 14 6.083 18.171 7.351 128 HE21 GLN 14 HE21 GLN 14 8.269 19.423 5.510 129 HE22 GLN 14 HE22 GLN 14 9.668 19.505 6.524 130 H ARG 15 HN ARG 15 4.608 16.251 4.093 131 HA ARG 15 HA ARG 15 3.224 18.436 5.256 132 HB2 ARG 15 HB2 ARG 15 2.763 17.200 2.489 133 HB3 ARG 15 HB1 ARG 15 2.210 18.821 3.031 134 HG2 ARG 15 HG2 ARG 15 4.972 17.888 2.199 135 HG3 ARG 15 HG1 ARG 15 4.102 19.410 1.815 136 HD2 ARG 15 HD2 ARG 15 4.469 20.077 4.322 137 HD3 ARG 15 HD1 ARG 15 5.623 18.671 4.392 138 HE ARG 15 HE ARG 15 7.085 19.818 2.878 139 HH11 ARG 15 HH11 ARG 15 4.051 21.604 3.473 140 HH12 ARG 15 HH12 ARG 15 4.607 23.082 2.763 141 HH21 ARG 15 HH21 ARG 15 7.830 21.828 1.915 142 HH22 ARG 15 HH22 ARG 15 6.789 23.211 1.861 143 H LYS 16 HN LYS 16 2.448 15.135 4.273 144 HA LYS 16 HA LYS 16 -0.344 15.546 4.851 145 HB2 LYS 16 HB2 LYS 16 0.184 14.081 2.956 146 HB3 LYS 16 HB1 LYS 16 1.316 13.131 3.971 147 HG2 LYS 16 HG2 LYS 16 -0.483 12.132 5.232 148 HG3 LYS 16 HG1 LYS 16 -1.692 13.294 4.575 149 HD2 LYS 16 HD2 LYS 16 -1.930 11.115 3.451 150 HD3 LYS 16 HD1 LYS 16 -1.346 12.345 2.279 151 HE2 LYS 16 HE2 LYS 16 -0.033 10.336 1.880 152 HE3 LYS 16 HE1 LYS 16 1.063 11.476 2.772 153 HZ1 LYS 16 HZ1 LYS 16 1.200 10.065 4.427 154 HZ2 LYS 16 HZ2 LYS 16 0.422 8.909 3.456 155 HZ3 LYS 16 HZ3 LYS 16 -0.480 9.854 4.541 156 H LYS 17 HN LYS 17 2.593 14.679 6.437 157 HA LYS 17 HA LYS 17 1.136 13.230 8.509 158 HB2 LYS 17 HB2 LYS 17 4.148 13.819 8.291 159 HB3 LYS 17 HB1 LYS 17 3.367 12.747 9.504 160 HG2 LYS 17 HG2 LYS 17 3.390 12.288 6.457 161 HG3 LYS 17 HG1 LYS 17 4.472 11.483 7.648 162 HD2 LYS 17 HD2 LYS 17 2.468 10.490 8.787 163 HD3 LYS 17 HD1 LYS 17 1.391 11.293 7.594 164 HE2 LYS 17 HE2 LYS 17 2.454 9.978 5.737 165 HE3 LYS 17 HE1 LYS 17 3.543 9.167 6.942 166 HZ1 LYS 17 HZ1 LYS 17 0.618 9.134 7.317 167 HZ2 LYS 17 HZ2 LYS 17 1.801 8.040 7.853 168 HZ3 LYS 17 HZ3 LYS 17 1.352 8.068 6.216 Start of MODEL 6 1 H1 GLU 1 HT1 GLU 1 7.268 16.304 -15.288 2 H2 GLU 1 HT2 GLU 1 6.795 17.779 -14.590 3 H3 GLU 1 HT3 GLU 1 6.527 17.497 -16.244 4 HA GLU 1 HA GLU 1 4.490 16.980 -15.608 5 HB2 GLU 1 HB2 GLU 1 5.619 14.794 -16.299 6 HB3 GLU 1 HB1 GLU 1 5.897 14.458 -14.554 7 HG2 GLU 1 HG2 GLU 1 3.424 14.448 -14.136 8 HG3 GLU 1 HG1 GLU 1 3.122 14.828 -15.879 9 H MET 2 HN MET 2 6.806 16.343 -12.915 10 HA MET 2 HA MET 2 4.677 17.244 -11.116 11 HB2 MET 2 HB2 MET 2 6.646 14.951 -10.611 12 HB3 MET 2 HB1 MET 2 5.658 15.738 -9.333 13 HG2 MET 2 HG2 MET 2 3.571 15.017 -10.447 14 HG3 MET 2 HG1 MET 2 4.501 14.318 -11.808 15 HE1 MET 2 HE1 MET 2 3.852 12.845 -7.512 16 HE2 MET 2 HE2 MET 2 3.484 14.428 -8.278 17 HE3 MET 2 HE3 MET 2 5.154 14.068 -7.718 18 H ARG 3 HN ARG 3 5.497 18.162 -9.125 19 HA ARG 3 HA ARG 3 8.012 19.433 -9.671 20 HB2 ARG 3 HB2 ARG 3 6.090 20.924 -9.233 21 HB3 ARG 3 HB1 ARG 3 5.838 20.063 -7.674 22 HG2 ARG 3 HG2 ARG 3 7.933 20.870 -6.771 23 HG3 ARG 3 HG1 ARG 3 8.458 21.509 -8.369 24 HD2 ARG 3 HD2 ARG 3 5.959 22.531 -6.881 25 HD3 ARG 3 HD1 ARG 3 7.604 23.292 -6.742 26 HE ARG 3 HE ARG 3 6.989 23.023 -9.526 27 HH11 ARG 3 HH11 ARG 3 5.870 24.720 -6.601 28 HH12 ARG 3 HH12 ARG 3 5.267 26.105 -7.447 29 HH21 ARG 3 HH21 ARG 3 6.174 24.907 -10.678 30 HH22 ARG 3 HH22 ARG 3 5.443 26.213 -9.807 31 H LEU 4 HN LEU 4 6.213 17.973 -7.036 32 HA LEU 4 HA LEU 4 8.447 17.792 -5.358 33 HB2 LEU 4 HB2 LEU 4 6.200 15.773 -5.221 34 HB3 LEU 4 HB1 LEU 4 7.022 16.632 -3.861 35 HG LEU 4 HG LEU 4 5.819 18.773 -4.779 36 HD11 LEU 4 HD11 LEU 4 4.727 16.727 -6.620 37 HD12 LEU 4 HD12 LEU 4 4.533 18.525 -6.650 38 HD13 LEU 4 HD13 LEU 4 3.410 17.510 -5.667 39 HD21 LEU 4 HD21 LEU 4 5.253 17.854 -2.613 40 HD22 LEU 4 HD22 LEU 4 4.391 16.445 -3.348 41 HD23 LEU 4 HD23 LEU 4 3.692 18.108 -3.483 42 H SER 5 HN SER 5 6.972 15.877 -7.920 43 HA SER 5 HA SER 5 7.575 14.002 -8.913 44 HB2 SER 5 HB2 SER 5 9.793 15.267 -9.250 45 HB3 SER 5 HB1 SER 5 10.416 14.405 -7.791 46 HG SER 5 HG SER 5 10.596 13.557 -10.149 47 H ORN 6 HN ORN 6 10.219 12.863 -6.965 48 HA ORN 6 HA ORN 6 8.304 11.115 -5.582 49 HB2 ORN 6 HB1 ORN 6 11.307 10.600 -5.649 50 HB3 ORN 6 HB2 ORN 6 10.328 10.207 -7.105 51 HG2 ORN 6 HG1 ORN 6 9.218 8.450 -6.069 52 HG3 ORN 6 HG2 ORN 6 9.270 9.215 -4.446 53 HD2 ORN 6 HD2 ORN 6 10.915 7.088 -5.371 54 HD3 ORN 6 HD1 ORN 6 12.001 8.533 -5.428 55 H PHE 7 HN PHE 7 9.360 13.988 -5.052 56 HA PHE 7 HA PHE 7 10.829 14.935 -3.530 57 HB2 PHE 7 HB2 PHE 7 8.988 15.404 -1.664 58 HB3 PHE 7 HB1 PHE 7 8.786 16.026 -3.307 59 HD1 PHE 7 HD1 PHE 7 7.094 14.790 -0.689 60 HD2 PHE 7 HD2 PHE 7 7.570 14.054 -4.829 61 HE1 PHE 7 HE1 PHE 7 4.841 13.954 -0.817 62 HE2 PHE 7 HE2 PHE 7 5.319 13.206 -4.936 63 HZ PHE 7 HZ PHE 7 3.952 13.166 -2.904 64 H PHE 8 HN PHE 8 8.935 13.806 -0.953 65 HA PHE 8 HA PHE 8 11.158 12.151 -0.074 66 HB2 PHE 8 HB2 PHE 8 9.806 13.362 2.229 67 HB3 PHE 8 HB1 PHE 8 11.533 13.617 1.713 68 HD1 PHE 8 HD1 PHE 8 8.119 14.679 1.415 69 HD2 PHE 8 HD2 PHE 8 12.138 15.345 0.335 70 HE1 PHE 8 HE1 PHE 8 7.471 16.680 0.241 71 HE2 PHE 8 HE2 PHE 8 11.491 17.378 -0.790 72 HZ PHE 8 HZ PHE 8 9.134 17.965 -0.867 73 H ARG 9 HN ARG 9 8.276 12.098 -1.311 74 HA ARG 9 HA ARG 9 6.510 11.013 0.502 75 HB2 ARG 9 HB2 ARG 9 6.086 11.669 -1.972 76 HB3 ARG 9 HB1 ARG 9 6.785 10.079 -2.402 77 HG2 ARG 9 HG2 ARG 9 5.030 8.897 -1.171 78 HG3 ARG 9 HG1 ARG 9 4.380 10.444 -0.523 79 HD2 ARG 9 HD2 ARG 9 3.794 11.181 -2.870 80 HD3 ARG 9 HD1 ARG 9 4.406 9.590 -3.505 81 HE ARG 9 HE ARG 9 1.893 10.046 -1.993 82 HH11 ARG 9 HH11 ARG 9 4.381 7.742 -3.100 83 HH12 ARG 9 HH12 ARG 9 3.352 6.353 -3.009 84 HH21 ARG 9 HH21 ARG 9 0.501 8.155 -1.867 85 HH22 ARG 9 HH22 ARG 9 1.110 6.593 -2.295 86 H ASN 10 HN ASN 10 9.290 9.559 -1.207 87 HA ASN 10 HA ASN 10 8.592 6.895 -0.729 88 HB2 ASN 10 HB2 ASN 10 11.347 8.243 -0.980 89 HB3 ASN 10 HB1 ASN 10 11.120 6.458 -0.879 90 HD21 ASN 10 HD21 ASN 10 11.917 8.699 -3.068 91 H PHE 11 HN PHE 11 9.721 9.494 1.372 92 HA PHE 11 HA PHE 11 10.191 7.502 3.473 93 HB2 PHE 11 HB2 PHE 11 10.995 10.479 3.360 94 HB3 PHE 11 HB1 PHE 11 11.289 9.375 4.759 95 HD1 PHE 11 HD1 PHE 11 12.395 10.449 1.471 96 HD2 PHE 11 HD2 PHE 11 12.890 7.527 4.520 97 HE1 PHE 11 HE1 PHE 11 14.551 9.799 0.504 98 HE2 PHE 11 HE2 PHE 11 15.045 6.883 3.550 99 HZ PHE 11 HZ PHE 11 15.877 8.017 1.541 100 H ILE 12 HN ILE 12 9.040 11.006 3.373 101 HA ILE 12 HA ILE 12 6.496 10.205 4.257 102 HB ILE 12 HB ILE 12 7.740 12.237 6.072 103 HG12 ILE 12 HG12 ILE 12 7.848 10.255 7.800 104 HG13 ILE 12 HG11 ILE 12 8.068 9.230 6.344 105 HG21 ILE 12 HG21 ILE 12 5.345 12.166 6.160 106 HG22 ILE 12 HG22 ILE 12 5.830 11.141 7.563 107 HG23 ILE 12 HG23 ILE 12 5.291 10.366 6.027 108 HD11 ILE 12 HD11 ILE 12 9.896 11.251 5.801 109 HD12 ILE 12 HD12 ILE 12 10.315 9.722 6.672 110 HD13 ILE 12 HD13 ILE 12 9.951 11.222 7.608 111 H LEU 13 HN LEU 13 5.109 11.437 3.816 112 HA LEU 13 HA LEU 13 5.280 14.137 3.759 113 HB2 LEU 13 HB2 LEU 13 6.593 13.439 1.539 114 HB3 LEU 13 HB1 LEU 13 4.903 13.262 0.920 115 HG LEU 13 HG LEU 13 5.809 15.584 0.578 116 HD11 LEU 13 HD11 LEU 13 3.836 16.801 1.370 117 HD12 LEU 13 HD12 LEU 13 3.522 15.578 2.662 118 HD13 LEU 13 HD13 LEU 13 3.309 15.134 0.927 119 HD21 LEU 13 HD21 LEU 13 6.899 15.193 3.163 120 HD22 LEU 13 HD22 LEU 13 5.592 16.413 3.425 121 HD23 LEU 13 HD23 LEU 13 6.898 16.741 2.226 122 H GLN 14 HN GLN 14 3.759 12.918 5.109 123 HA GLN 14 HA GLN 14 1.371 12.264 3.631 124 HB2 GLN 14 HB2 GLN 14 2.412 11.620 6.351 125 HB3 GLN 14 HB1 GLN 14 0.699 12.157 6.378 126 HG2 GLN 14 HG2 GLN 14 0.011 10.427 4.829 127 HG3 GLN 14 HG1 GLN 14 1.728 9.949 4.503 128 HE21 GLN 14 HE21 GLN 14 0.274 7.876 5.321 129 HE22 GLN 14 HE22 GLN 14 0.519 7.491 6.990 130 H ARG 15 HN ARG 15 0.904 13.726 6.777 131 HA ARG 15 HA ARG 15 0.250 16.198 5.363 132 HB2 ARG 15 HB2 ARG 15 -1.369 14.622 7.418 133 HB3 ARG 15 HB1 ARG 15 -1.645 16.382 7.162 134 HG2 ARG 15 HG2 ARG 15 -3.234 14.891 5.868 135 HG3 ARG 15 HG1 ARG 15 -2.305 16.041 4.846 136 HD2 ARG 15 HD2 ARG 15 -1.039 14.321 3.806 137 HD3 ARG 15 HD1 ARG 15 -1.158 13.216 5.247 138 HE ARG 15 HE ARG 15 -3.206 12.400 4.400 139 HH11 ARG 15 HH11 ARG 15 -2.256 15.405 2.731 140 HH12 ARG 15 HH12 ARG 15 -3.480 15.296 1.511 141 HH21 ARG 15 HH21 ARG 15 -4.868 12.254 2.739 142 HH22 ARG 15 HH22 ARG 15 -4.989 13.473 1.516 143 H LYS 16 HN LYS 16 1.516 14.539 8.192 144 HA LYS 16 HA LYS 16 1.735 16.835 9.799 145 HB2 LYS 16 HB2 LYS 16 1.967 14.427 10.639 146 HB3 LYS 16 HB1 LYS 16 3.534 14.355 9.759 147 HG2 LYS 16 HG2 LYS 16 4.516 16.063 11.183 148 HG3 LYS 16 HG1 LYS 16 2.927 16.430 11.946 149 HD2 LYS 16 HD2 LYS 16 4.319 15.025 13.440 150 HD3 LYS 16 HD1 LYS 16 2.844 14.137 12.916 151 HE2 LYS 16 HE2 LYS 16 4.175 12.902 11.192 152 HE3 LYS 16 HE1 LYS 16 5.665 13.814 11.683 153 HZ1 LYS 16 HZ1 LYS 16 4.623 11.488 12.780 154 HZ2 LYS 16 HZ2 LYS 16 4.432 12.697 13.958 155 HZ3 LYS 16 HZ3 LYS 16 5.966 12.390 13.297 156 H LYS 17 HN LYS 17 3.644 15.256 7.300 157 HA LYS 17 HA LYS 17 5.802 17.153 7.687 158 HB2 LYS 17 HB2 LYS 17 5.402 14.660 5.959 159 HB3 LYS 17 HB1 LYS 17 6.716 15.827 5.576 160 HG2 LYS 17 HG2 LYS 17 6.435 14.717 8.410 161 HG3 LYS 17 HG1 LYS 17 7.202 13.721 7.129 162 HD2 LYS 17 HD2 LYS 17 9.042 14.820 8.096 163 HD3 LYS 17 HD1 LYS 17 8.684 15.854 6.670 164 HE2 LYS 17 HE2 LYS 17 7.864 17.622 7.975 165 HE3 LYS 17 HE1 LYS 17 7.320 16.527 9.318 166 HZ1 LYS 17 HZ1 LYS 17 9.355 17.976 9.669 167 HZ2 LYS 17 HZ2 LYS 17 10.188 16.895 8.658 168 HZ3 LYS 17 HZ3 LYS 17 9.475 16.337 10.095 Start of MODEL 7 1 H1 GLU 1 HT1 GLU 1 5.953 18.133 -15.081 2 H2 GLU 1 HT2 GLU 1 5.293 18.078 -16.646 3 H3 GLU 1 HT3 GLU 1 6.353 16.856 -16.129 4 HA GLU 1 HA GLU 1 3.541 17.176 -15.696 5 HB2 GLU 1 HB2 GLU 1 4.646 15.248 -16.903 6 HB3 GLU 1 HB1 GLU 1 5.464 14.799 -15.364 7 HG2 GLU 1 HG2 GLU 1 3.244 14.360 -14.284 8 HG3 GLU 1 HG1 GLU 1 2.399 14.848 -15.806 9 H MET 2 HN MET 2 6.465 16.511 -13.677 10 HA MET 2 HA MET 2 4.750 17.003 -11.358 11 HB2 MET 2 HB2 MET 2 6.878 14.812 -11.621 12 HB3 MET 2 HB1 MET 2 6.222 15.386 -10.049 13 HG2 MET 2 HG2 MET 2 3.943 14.678 -10.697 14 HG3 MET 2 HG1 MET 2 4.528 14.179 -12.316 15 HE1 MET 2 HE1 MET 2 2.780 12.527 -10.310 16 HE2 MET 2 HE2 MET 2 3.476 10.882 -10.510 17 HE3 MET 2 HE3 MET 2 3.272 11.951 -11.940 18 H ARG 3 HN ARG 3 5.946 17.745 -9.483 19 HA ARG 3 HA ARG 3 8.379 19.047 -10.339 20 HB2 ARG 3 HB2 ARG 3 6.577 20.685 -9.885 21 HB3 ARG 3 HB1 ARG 3 6.316 19.898 -8.290 22 HG2 ARG 3 HG2 ARG 3 8.479 20.621 -7.467 23 HG3 ARG 3 HG1 ARG 3 8.988 21.180 -9.101 24 HD2 ARG 3 HD2 ARG 3 7.270 22.985 -9.055 25 HD3 ARG 3 HD1 ARG 3 6.662 22.388 -7.451 26 HE ARG 3 HE ARG 3 8.563 23.348 -6.411 27 HH11 ARG 3 HH11 ARG 3 8.928 23.283 -9.957 28 HH12 ARG 3 HH12 ARG 3 10.349 24.274 -9.982 29 HH21 ARG 3 HH21 ARG 3 10.492 24.694 -6.448 30 HH22 ARG 3 HH22 ARG 3 11.252 25.088 -7.954 31 H LEU 4 HN LEU 4 6.622 17.837 -7.558 32 HA LEU 4 HA LEU 4 8.927 17.584 -5.979 33 HB2 LEU 4 HB2 LEU 4 6.543 15.766 -5.597 34 HB3 LEU 4 HB1 LEU 4 7.484 16.663 -4.343 35 HG LEU 4 HG LEU 4 6.388 18.808 -5.394 36 HD11 LEU 4 HD11 LEU 4 5.073 16.695 -6.992 37 HD12 LEU 4 HD12 LEU 4 4.982 18.494 -7.165 38 HD13 LEU 4 HD13 LEU 4 3.857 17.634 -6.044 39 HD21 LEU 4 HD21 LEU 4 4.887 16.723 -3.692 40 HD22 LEU 4 HD22 LEU 4 4.301 18.416 -3.939 41 HD23 LEU 4 HD23 LEU 4 5.886 18.120 -3.127 42 H SER 5 HN SER 5 7.133 15.658 -8.322 43 HA SER 5 HA SER 5 7.493 13.679 -9.227 44 HB2 SER 5 HB2 SER 5 10.413 14.192 -8.400 45 HB3 SER 5 HB1 SER 5 9.897 12.788 -9.418 46 HG SER 5 HG SER 5 9.866 15.545 -9.968 47 H ORN 6 HN ORN 6 10.193 12.567 -7.282 48 HA ORN 6 HA ORN 6 8.266 10.947 -5.762 49 HB2 ORN 6 HB1 ORN 6 11.251 10.329 -5.987 50 HB3 ORN 6 HB2 ORN 6 10.138 9.841 -7.312 51 HG2 ORN 6 HG1 ORN 6 9.138 8.180 -6.057 52 HG3 ORN 6 HG2 ORN 6 9.255 9.102 -4.521 53 HD2 ORN 6 HD2 ORN 6 10.903 6.912 -5.359 54 HD3 ORN 6 HD1 ORN 6 11.956 8.375 -5.496 55 H PHE 7 HN PHE 7 9.605 13.789 -5.484 56 HA PHE 7 HA PHE 7 11.165 14.720 -4.077 57 HB2 PHE 7 HB2 PHE 7 9.470 15.418 -2.156 58 HB3 PHE 7 HB1 PHE 7 9.212 15.955 -3.818 59 HD1 PHE 7 HD1 PHE 7 7.593 14.969 -1.030 60 HD2 PHE 7 HD2 PHE 7 7.786 14.011 -5.154 61 HE1 PHE 7 HE1 PHE 7 5.294 14.275 -0.999 62 HE2 PHE 7 HE2 PHE 7 5.491 13.292 -5.090 63 HZ PHE 7 HZ PHE 7 4.240 13.445 -2.989 64 H PHE 8 HN PHE 8 9.348 13.878 -1.355 65 HA PHE 8 HA PHE 8 11.506 12.143 -0.465 66 HB2 PHE 8 HB2 PHE 8 10.253 13.581 1.786 67 HB3 PHE 8 HB1 PHE 8 11.994 13.661 1.255 68 HD1 PHE 8 HD1 PHE 8 8.687 14.955 0.927 69 HD2 PHE 8 HD2 PHE 8 12.715 15.247 -0.267 70 HE1 PHE 8 HE1 PHE 8 8.166 16.938 -0.341 71 HE2 PHE 8 HE2 PHE 8 12.197 17.257 -1.500 72 HZ PHE 8 HZ PHE 8 9.883 18.019 -1.558 73 H ARG 9 HN ARG 9 8.613 12.180 -1.630 74 HA ARG 9 HA ARG 9 6.802 11.294 0.234 75 HB2 ARG 9 HB2 ARG 9 6.407 11.830 -2.270 76 HB3 ARG 9 HB1 ARG 9 7.030 10.189 -2.616 77 HG2 ARG 9 HG2 ARG 9 5.211 9.145 -1.379 78 HG3 ARG 9 HG1 ARG 9 4.659 10.734 -0.740 79 HD2 ARG 9 HD2 ARG 9 4.062 11.475 -3.077 80 HD3 ARG 9 HD1 ARG 9 4.605 9.860 -3.715 81 HE ARG 9 HE ARG 9 2.745 9.295 -1.654 82 HH11 ARG 9 HH11 ARG 9 2.857 11.070 -4.740 83 HH12 ARG 9 HH12 ARG 9 1.187 10.816 -5.124 84 HH21 ARG 9 HH21 ARG 9 0.475 8.948 -2.175 85 HH22 ARG 9 HH22 ARG 9 -0.190 9.588 -3.640 86 H ASN 10 HN ASN 10 9.496 9.577 -1.374 87 HA ASN 10 HA ASN 10 8.641 6.993 -0.753 88 HB2 ASN 10 HB2 ASN 10 11.470 8.166 -1.044 89 HB3 ASN 10 HB1 ASN 10 11.146 6.407 -0.822 90 HD21 ASN 10 HD21 ASN 10 11.812 8.728 -3.143 91 H PHE 11 HN PHE 11 9.956 9.631 1.203 92 HA PHE 11 HA PHE 11 10.256 7.753 3.432 93 HB2 PHE 11 HB2 PHE 11 11.133 10.702 3.177 94 HB3 PHE 11 HB1 PHE 11 11.352 9.681 4.649 95 HD1 PHE 11 HD1 PHE 11 12.566 10.482 1.309 96 HD2 PHE 11 HD2 PHE 11 12.952 7.838 4.616 97 HE1 PHE 11 HE1 PHE 11 14.739 9.733 0.459 98 HE2 PHE 11 HE2 PHE 11 15.125 7.092 3.762 99 HZ PHE 11 HZ PHE 11 16.021 8.039 1.685 100 H ILE 12 HN ILE 12 9.235 11.290 3.191 101 HA ILE 12 HA ILE 12 6.623 10.628 3.907 102 HB ILE 12 HB ILE 12 6.425 11.919 5.877 103 HG12 ILE 12 HG12 ILE 12 8.776 12.594 7.017 104 HG13 ILE 12 HG11 ILE 12 9.275 12.698 5.288 105 HG21 ILE 12 HG21 ILE 12 7.625 10.517 7.534 106 HG22 ILE 12 HG22 ILE 12 8.765 9.952 6.258 107 HG23 ILE 12 HG23 ILE 12 7.019 9.501 6.173 108 HD11 ILE 12 HD11 ILE 12 7.979 14.733 6.767 109 HD12 ILE 12 HD12 ILE 12 6.632 14.024 5.795 110 HD13 ILE 12 HD13 ILE 12 8.110 14.657 4.968 111 H LEU 13 HN LEU 13 5.302 12.279 3.854 112 HA LEU 13 HA LEU 13 5.950 14.846 3.594 113 HB2 LEU 13 HB2 LEU 13 6.864 13.788 1.262 114 HB3 LEU 13 HB1 LEU 13 5.142 14.132 0.825 115 HG LEU 13 HG LEU 13 6.724 16.064 0.415 116 HD11 LEU 13 HD11 LEU 13 4.626 16.721 2.564 117 HD12 LEU 13 HD12 LEU 13 4.210 16.322 0.854 118 HD13 LEU 13 HD13 LEU 13 5.210 17.780 1.223 119 HD21 LEU 13 HD21 LEU 13 8.134 16.860 2.042 120 HD22 LEU 13 HD22 LEU 13 7.726 15.352 2.964 121 HD23 LEU 13 HD23 LEU 13 6.816 16.882 3.278 122 H GLN 14 HN GLN 14 4.363 13.845 5.095 123 HA GLN 14 HA GLN 14 1.746 14.327 3.887 124 HB2 GLN 14 HB2 GLN 14 2.493 12.416 6.168 125 HB3 GLN 14 HB1 GLN 14 0.805 12.962 5.855 126 HG2 GLN 14 HG2 GLN 14 0.942 12.053 3.529 127 HG3 GLN 14 HG1 GLN 14 2.614 11.444 3.874 128 HE21 GLN 14 HE21 GLN 14 2.274 9.216 3.879 129 HE22 GLN 14 HE22 GLN 14 1.208 8.396 4.969 130 H ARG 15 HN ARG 15 0.261 15.465 5.358 131 HA ARG 15 HA ARG 15 1.875 17.387 6.782 132 HB2 ARG 15 HB2 ARG 15 -1.161 17.485 6.645 133 HB3 ARG 15 HB1 ARG 15 0.010 18.847 6.757 134 HG2 ARG 15 HG2 ARG 15 -0.780 17.173 4.324 135 HG3 ARG 15 HG1 ARG 15 -0.746 18.955 4.514 136 HD2 ARG 15 HD2 ARG 15 1.392 19.054 3.640 137 HD3 ARG 15 HD1 ARG 15 2.011 17.826 4.825 138 HE ARG 15 HE ARG 15 1.499 16.073 3.245 139 HH11 ARG 15 HH11 ARG 15 0.524 19.315 2.100 140 HH12 ARG 15 HH12 ARG 15 0.376 18.846 0.438 141 HH21 ARG 15 HH21 ARG 15 1.303 15.451 0.993 142 HH22 ARG 15 HH22 ARG 15 0.826 16.612 -0.201 143 H LYS 16 HN LYS 16 0.733 14.411 7.501 144 HA LYS 16 HA LYS 16 -0.445 14.840 10.008 145 HB2 LYS 16 HB2 LYS 16 -0.608 12.644 8.839 146 HB3 LYS 16 HB1 LYS 16 1.181 12.491 8.895 147 HG2 LYS 16 HG2 LYS 16 1.167 12.280 11.324 148 HG3 LYS 16 HG1 LYS 16 -0.589 12.674 11.405 149 HD2 LYS 16 HD2 LYS 16 -0.256 10.244 11.641 150 HD3 LYS 16 HD1 LYS 16 -1.106 10.599 10.095 151 HE2 LYS 16 HE2 LYS 16 1.042 10.352 8.832 152 HE3 LYS 16 HE1 LYS 16 1.923 10.033 10.386 153 HZ1 LYS 16 HZ1 LYS 16 0.271 8.302 8.800 154 HZ2 LYS 16 HZ2 LYS 16 -0.148 8.286 10.446 155 HZ3 LYS 16 HZ3 LYS 16 1.446 7.938 9.972 156 H LYS 17 HN LYS 17 2.827 14.512 8.727 157 HA LYS 17 HA LYS 17 4.106 14.415 11.244 158 HB2 LYS 17 HB2 LYS 17 4.916 14.679 8.358 159 HB3 LYS 17 HB1 LYS 17 6.008 15.510 9.519 160 HG2 LYS 17 HG2 LYS 17 7.001 13.552 10.006 161 HG3 LYS 17 HG1 LYS 17 5.446 12.932 10.662 162 HD2 LYS 17 HD2 LYS 17 6.683 12.567 7.905 163 HD3 LYS 17 HD1 LYS 17 6.081 11.327 9.048 164 HE2 LYS 17 HE2 LYS 17 3.706 12.595 8.553 165 HE3 LYS 17 HE1 LYS 17 4.571 12.996 6.999 166 HZ1 LYS 17 HZ1 LYS 17 3.761 10.995 6.474 167 HZ2 LYS 17 HZ2 LYS 17 3.681 10.429 8.072 168 HZ3 LYS 17 HZ3 LYS 17 5.165 10.433 7.245 Start of MODEL 8 1 H1 GLU 1 HT1 GLU 1 2.845 15.606 -15.071 2 H2 GLU 1 HT2 GLU 1 4.190 14.604 -14.800 3 H3 GLU 1 HT3 GLU 1 3.893 15.225 -16.353 4 HA GLU 1 HA GLU 1 5.696 16.337 -15.112 5 HB2 GLU 1 HB2 GLU 1 4.488 17.421 -17.029 6 HB3 GLU 1 HB1 GLU 1 3.235 18.013 -15.887 7 HG2 GLU 1 HG2 GLU 1 4.789 19.859 -16.424 8 HG3 GLU 1 HG1 GLU 1 5.014 19.393 -14.693 9 H MET 2 HN MET 2 5.880 15.854 -12.841 10 HA MET 2 HA MET 2 4.377 17.769 -11.203 11 HB2 MET 2 HB2 MET 2 5.118 14.900 -10.413 12 HB3 MET 2 HB1 MET 2 4.406 16.131 -9.320 13 HG2 MET 2 HG2 MET 2 3.071 14.887 -11.801 14 HG3 MET 2 HG1 MET 2 2.699 14.507 -10.091 15 HE1 MET 2 HE1 MET 2 0.787 17.123 -8.564 16 HE2 MET 2 HE2 MET 2 2.506 17.646 -8.620 17 HE3 MET 2 HE3 MET 2 2.103 15.904 -8.438 18 H ARG 3 HN ARG 3 5.464 18.334 -9.223 19 HA ARG 3 HA ARG 3 8.292 18.283 -9.674 20 HB2 ARG 3 HB2 ARG 3 7.129 20.457 -9.151 21 HB3 ARG 3 HB1 ARG 3 6.664 19.717 -7.582 22 HG2 ARG 3 HG2 ARG 3 8.956 19.575 -6.838 23 HG3 ARG 3 HG1 ARG 3 9.587 20.009 -8.466 24 HD2 ARG 3 HD2 ARG 3 8.611 22.305 -8.255 25 HD3 ARG 3 HD1 ARG 3 7.923 21.869 -6.632 26 HE ARG 3 HE ARG 3 10.100 22.032 -5.704 27 HH11 ARG 3 HH11 ARG 3 10.211 22.059 -9.270 28 HH12 ARG 3 HH12 ARG 3 11.886 22.490 -9.365 29 HH21 ARG 3 HH21 ARG 3 12.372 22.619 -5.840 30 HH22 ARG 3 HH22 ARG 3 13.134 22.812 -7.382 31 H LEU 4 HN LEU 4 6.024 17.939 -7.004 32 HA LEU 4 HA LEU 4 7.931 16.367 -5.602 33 HB2 LEU 4 HB2 LEU 4 5.488 15.906 -4.349 34 HB3 LEU 4 HB1 LEU 4 6.688 17.144 -3.849 35 HG LEU 4 HG LEU 4 5.540 18.802 -5.372 36 HD11 LEU 4 HD11 LEU 4 3.699 16.396 -5.864 37 HD12 LEU 4 HD12 LEU 4 4.392 17.567 -7.058 38 HD13 LEU 4 HD13 LEU 4 3.048 18.078 -5.962 39 HD21 LEU 4 HD21 LEU 4 5.068 18.667 -2.918 40 HD22 LEU 4 HD22 LEU 4 3.727 17.501 -3.243 41 HD23 LEU 4 HD23 LEU 4 3.617 19.199 -3.855 42 H SER 5 HN SER 5 8.017 15.055 -7.620 43 HA SER 5 HA SER 5 5.829 13.207 -7.849 44 HB2 SER 5 HB2 SER 5 7.159 13.807 -9.943 45 HB3 SER 5 HB1 SER 5 8.619 13.063 -9.183 46 HG SER 5 HG SER 5 6.621 11.332 -9.006 47 H ORN 6 HN ORN 6 9.423 12.801 -7.315 48 HA ORN 6 HA ORN 6 8.700 10.990 -5.121 49 HB2 ORN 6 HB1 ORN 6 11.362 10.720 -6.606 50 HB3 ORN 6 HB2 ORN 6 9.908 9.872 -7.242 51 HG2 ORN 6 HG1 ORN 6 10.377 8.186 -5.792 52 HG3 ORN 6 HG2 ORN 6 9.868 9.284 -4.468 53 HD2 ORN 6 HD2 ORN 6 12.561 8.230 -5.103 54 HD3 ORN 6 HD1 ORN 6 12.578 10.036 -5.031 55 H PHE 7 HN PHE 7 8.588 13.107 -4.121 56 HA PHE 7 HA PHE 7 10.910 14.681 -3.938 57 HB2 PHE 7 HB2 PHE 7 9.314 15.695 -2.030 58 HB3 PHE 7 HB1 PHE 7 8.911 15.941 -3.744 59 HD1 PHE 7 HD1 PHE 7 7.664 15.031 -0.651 60 HD2 PHE 7 HD2 PHE 7 7.425 14.042 -4.724 61 HE1 PHE 7 HE1 PHE 7 5.451 14.177 -0.293 62 HE2 PHE 7 HE2 PHE 7 5.196 13.186 -4.389 63 HZ PHE 7 HZ PHE 7 4.209 13.264 -2.134 64 H PHE 8 HN PHE 8 9.285 14.322 -0.950 65 HA PHE 8 HA PHE 8 11.587 12.845 0.084 66 HB2 PHE 8 HB2 PHE 8 9.798 14.119 2.113 67 HB3 PHE 8 HB1 PHE 8 11.574 14.411 1.844 68 HD1 PHE 8 HD1 PHE 8 8.333 15.624 1.478 69 HD2 PHE 8 HD2 PHE 8 12.203 15.697 -0.178 70 HE1 PHE 8 HE1 PHE 8 7.660 17.415 0.027 71 HE2 PHE 8 HE2 PHE 8 11.550 17.532 -1.602 72 HZ PHE 8 HZ PHE 8 9.241 18.301 -1.538 73 H ARG 9 HN ARG 9 8.721 12.520 -1.253 74 HA ARG 9 HA ARG 9 6.992 11.145 0.366 75 HB2 ARG 9 HB2 ARG 9 6.759 11.900 -2.136 76 HB3 ARG 9 HB1 ARG 9 7.519 10.330 -2.527 77 HG2 ARG 9 HG2 ARG 9 5.693 9.097 -1.452 78 HG3 ARG 9 HG1 ARG 9 4.966 10.620 -0.831 79 HD2 ARG 9 HD2 ARG 9 4.530 11.386 -3.208 80 HD3 ARG 9 HD1 ARG 9 5.229 9.822 -3.821 81 HE ARG 9 HE ARG 9 2.603 10.190 -2.484 82 HH11 ARG 9 HH11 ARG 9 5.214 7.971 -3.474 83 HH12 ARG 9 HH12 ARG 9 4.218 6.556 -3.478 84 HH21 ARG 9 HH21 ARG 9 1.252 8.263 -2.492 85 HH22 ARG 9 HH22 ARG 9 1.928 6.726 -2.911 86 H ASN 10 HN ASN 10 10.065 10.066 -1.045 87 HA ASN 10 HA ASN 10 9.534 7.330 -0.905 88 HB2 ASN 10 HB2 ASN 10 12.150 8.926 -0.698 89 HB3 ASN 10 HB1 ASN 10 12.114 7.127 -0.639 90 HD21 ASN 10 HD21 ASN 10 12.205 9.921 -2.706 91 H PHE 11 HN PHE 11 10.014 9.778 1.576 92 HA PHE 11 HA PHE 11 10.237 7.595 3.537 93 HB2 PHE 11 HB2 PHE 11 11.095 10.545 3.813 94 HB3 PHE 11 HB1 PHE 11 11.128 9.331 5.148 95 HD1 PHE 11 HD1 PHE 11 12.767 10.571 2.140 96 HD2 PHE 11 HD2 PHE 11 12.739 7.500 5.080 97 HE1 PHE 11 HE1 PHE 11 15.044 9.930 1.497 98 HE2 PHE 11 HE2 PHE 11 15.015 6.862 4.433 99 HZ PHE 11 HZ PHE 11 16.170 8.076 2.642 100 H ILE 12 HN ILE 12 9.041 11.059 3.213 101 HA ILE 12 HA ILE 12 6.404 10.360 3.811 102 HB ILE 12 HB ILE 12 6.337 11.981 5.822 103 HG12 ILE 12 HG12 ILE 12 8.671 11.132 7.138 104 HG13 ILE 12 HG11 ILE 12 9.265 11.613 5.514 105 HG21 ILE 12 HG21 ILE 12 6.178 10.132 7.282 106 HG22 ILE 12 HG22 ILE 12 7.582 9.285 6.535 107 HG23 ILE 12 HG23 ILE 12 6.003 9.346 5.668 108 HD11 ILE 12 HD11 ILE 12 8.744 13.862 5.834 109 HD12 ILE 12 HD12 ILE 12 8.983 13.393 7.560 110 HD13 ILE 12 HD13 ILE 12 7.317 13.499 6.877 111 H LEU 13 HN LEU 13 6.950 13.362 5.100 112 HA LEU 13 HA LEU 13 7.915 14.931 3.228 113 HB2 LEU 13 HB2 LEU 13 6.649 14.898 1.317 114 HB3 LEU 13 HB1 LEU 13 5.619 13.624 2.038 115 HG LEU 13 HG LEU 13 4.984 16.391 2.995 116 HD11 LEU 13 HD11 LEU 13 5.672 16.382 0.345 117 HD12 LEU 13 HD12 LEU 13 4.370 17.419 1.052 118 HD13 LEU 13 HD13 LEU 13 3.941 15.872 0.227 119 HD21 LEU 13 HD21 LEU 13 3.064 14.448 1.664 120 HD22 LEU 13 HD22 LEU 13 2.818 15.536 3.084 121 HD23 LEU 13 HD23 LEU 13 3.784 14.015 3.266 122 H GLN 14 HN GLN 14 5.537 14.042 5.603 123 HA GLN 14 HA GLN 14 5.017 15.121 7.462 124 HB2 GLN 14 HB2 GLN 14 7.227 16.559 6.922 125 HB3 GLN 14 HB1 GLN 14 6.019 17.821 6.500 126 HG2 GLN 14 HG2 GLN 14 5.318 18.103 8.688 127 HG3 GLN 14 HG1 GLN 14 5.618 16.364 9.118 128 HE21 GLN 14 HE21 GLN 14 7.247 19.513 8.387 129 HE22 GLN 14 HE22 GLN 14 8.695 19.179 9.274 130 H ARG 15 HN ARG 15 3.377 16.732 8.209 131 HA ARG 15 HA ARG 15 1.582 17.990 7.966 132 HB2 ARG 15 HB2 ARG 15 2.267 18.135 4.983 133 HB3 ARG 15 HB1 ARG 15 0.762 18.831 5.664 134 HG2 ARG 15 HG2 ARG 15 2.460 20.591 5.441 135 HG3 ARG 15 HG1 ARG 15 2.109 20.295 7.180 136 HD2 ARG 15 HD2 ARG 15 4.198 18.870 7.343 137 HD3 ARG 15 HD1 ARG 15 4.555 19.215 5.600 138 HE ARG 15 HE ARG 15 5.281 21.356 6.253 139 HH11 ARG 15 HH11 ARG 15 3.397 19.850 8.870 140 HH12 ARG 15 HH12 ARG 15 3.812 21.039 10.058 141 HH21 ARG 15 HH21 ARG 15 5.843 22.974 7.865 142 HH22 ARG 15 HH22 ARG 15 5.223 22.843 9.476 143 H LYS 16 HN LYS 16 1.754 15.886 5.067 144 HA LYS 16 HA LYS 16 -0.912 15.064 5.355 145 HB2 LYS 16 HB2 LYS 16 0.431 14.837 3.216 146 HB3 LYS 16 HB1 LYS 16 1.432 13.592 4.037 147 HG2 LYS 16 HG2 LYS 16 -0.371 12.025 4.133 148 HG3 LYS 16 HG1 LYS 16 -1.609 13.289 3.795 149 HD2 LYS 16 HD2 LYS 16 -1.233 11.896 1.789 150 HD3 LYS 16 HD1 LYS 16 -0.692 13.585 1.491 151 HE2 LYS 16 HE2 LYS 16 1.029 12.140 0.564 152 HE3 LYS 16 HE1 LYS 16 1.707 12.782 2.122 153 HZ1 LYS 16 HZ1 LYS 16 1.573 10.197 1.413 154 HZ2 LYS 16 HZ2 LYS 16 0.185 10.341 2.381 155 HZ3 LYS 16 HZ3 LYS 16 1.705 10.772 3.006 156 H LYS 17 HN LYS 17 2.186 14.112 6.667 157 HA LYS 17 HA LYS 17 1.047 11.723 7.867 158 HB2 LYS 17 HB2 LYS 17 3.862 12.912 8.228 159 HB3 LYS 17 HB1 LYS 17 3.323 11.261 8.705 160 HG2 LYS 17 HG2 LYS 17 3.486 12.338 5.821 161 HG3 LYS 17 HG1 LYS 17 4.683 11.255 6.612 162 HD2 LYS 17 HD2 LYS 17 2.914 9.505 6.900 163 HD3 LYS 17 HD1 LYS 17 1.705 10.591 6.132 164 HE2 LYS 17 HE2 LYS 17 3.021 10.562 3.997 165 HE3 LYS 17 HE1 LYS 17 4.246 9.470 4.769 166 HZ1 LYS 17 HZ1 LYS 17 1.434 8.676 4.894 167 HZ2 LYS 17 HZ2 LYS 17 2.840 7.741 4.719 168 HZ3 LYS 17 HZ3 LYS 17 2.211 8.587 3.387 Start of MODEL 9 1 H1 GLU 1 HT1 GLU 1 5.144 17.061 -16.168 2 H2 GLU 1 HT2 GLU 1 4.985 18.217 -14.934 3 H3 GLU 1 HT3 GLU 1 3.906 18.220 -16.246 4 HA GLU 1 HA GLU 1 2.558 17.087 -14.953 5 HB2 GLU 1 HB2 GLU 1 4.676 14.884 -15.310 6 HB3 GLU 1 HB1 GLU 1 2.947 14.611 -14.901 7 HG2 GLU 1 HG2 GLU 1 3.988 15.868 -17.534 8 HG3 GLU 1 HG1 GLU 1 3.388 14.176 -17.329 9 H MET 2 HN MET 2 5.945 16.351 -13.855 10 HA MET 2 HA MET 2 4.970 16.796 -11.132 11 HB2 MET 2 HB2 MET 2 6.811 14.511 -12.029 12 HB3 MET 2 HB1 MET 2 6.595 15.030 -10.321 13 HG2 MET 2 HG2 MET 2 4.097 14.551 -10.578 14 HG3 MET 2 HG1 MET 2 4.451 13.851 -12.190 15 HE1 MET 2 HE1 MET 2 6.287 10.675 -11.760 16 HE2 MET 2 HE2 MET 2 7.226 12.206 -11.851 17 HE3 MET 2 HE3 MET 2 5.691 12.037 -12.773 18 H ARG 3 HN ARG 3 6.590 17.338 -9.663 19 HA ARG 3 HA ARG 3 8.920 18.448 -10.955 20 HB2 ARG 3 HB2 ARG 3 7.215 19.662 -8.774 21 HB3 ARG 3 HB1 ARG 3 8.708 20.423 -9.447 22 HG2 ARG 3 HG2 ARG 3 7.479 20.372 -11.732 23 HG3 ARG 3 HG1 ARG 3 6.007 19.943 -10.789 24 HD2 ARG 3 HD2 ARG 3 6.266 22.071 -9.440 25 HD3 ARG 3 HD1 ARG 3 7.705 22.506 -10.458 26 HE ARG 3 HE ARG 3 6.246 22.943 -12.296 27 HH11 ARG 3 HH11 ARG 3 4.521 21.507 -9.524 28 HH12 ARG 3 HH12 ARG 3 2.939 21.856 -10.132 29 HH21 ARG 3 HH21 ARG 3 4.091 23.417 -13.118 30 HH22 ARG 3 HH22 ARG 3 2.691 22.961 -12.209 31 H LEU 4 HN LEU 4 7.250 17.684 -8.004 32 HA LEU 4 HA LEU 4 9.580 17.433 -6.458 33 HB2 LEU 4 HB2 LEU 4 7.049 15.885 -5.874 34 HB3 LEU 4 HB1 LEU 4 8.117 16.760 -4.710 35 HG LEU 4 HG LEU 4 7.244 18.920 -5.964 36 HD11 LEU 4 HD11 LEU 4 5.690 18.600 -7.601 37 HD12 LEU 4 HD12 LEU 4 4.557 17.972 -6.342 38 HD13 LEU 4 HD13 LEU 4 5.613 16.828 -7.253 39 HD21 LEU 4 HD21 LEU 4 5.542 17.262 -3.993 40 HD22 LEU 4 HD22 LEU 4 5.286 19.015 -4.352 41 HD23 LEU 4 HD23 LEU 4 6.827 18.466 -3.589 42 H SER 5 HN SER 5 7.578 15.381 -8.494 43 HA SER 5 HA SER 5 7.706 13.207 -9.025 44 HB2 SER 5 HB2 SER 5 10.653 14.003 -9.376 45 HB3 SER 5 HB1 SER 5 9.874 12.556 -10.132 46 HG SER 5 HG SER 5 9.835 15.154 -10.870 47 H ORN 6 HN ORN 6 7.236 12.313 -6.788 48 HA ORN 6 HA ORN 6 7.631 10.687 -5.329 49 HB2 ORN 6 HB1 ORN 6 10.324 10.379 -6.767 50 HB3 ORN 6 HB2 ORN 6 8.907 9.291 -6.850 51 HG2 ORN 6 HG1 ORN 6 10.584 9.757 -4.307 52 HG3 ORN 6 HG2 ORN 6 10.874 8.435 -5.480 53 HD2 ORN 6 HD2 ORN 6 8.037 8.647 -4.452 54 HD3 ORN 6 HD1 ORN 6 9.063 7.189 -4.757 55 H PHE 7 HN PHE 7 9.672 13.481 -5.668 56 HA PHE 7 HA PHE 7 11.312 14.260 -4.349 57 HB2 PHE 7 HB2 PHE 7 9.886 15.432 -2.445 58 HB3 PHE 7 HB1 PHE 7 9.651 15.870 -4.138 59 HD1 PHE 7 HD1 PHE 7 8.018 15.524 -1.241 60 HD2 PHE 7 HD2 PHE 7 7.822 14.078 -5.223 61 HE1 PHE 7 HE1 PHE 7 5.626 15.291 -1.063 62 HE2 PHE 7 HE2 PHE 7 5.448 13.816 -5.013 63 HZ PHE 7 HZ PHE 7 4.344 14.443 -2.910 64 H PHE 8 HN PHE 8 9.534 14.043 -1.492 65 HA PHE 8 HA PHE 8 11.304 11.956 -0.523 66 HB2 PHE 8 HB2 PHE 8 10.703 13.837 1.635 67 HB3 PHE 8 HB1 PHE 8 12.335 13.506 0.902 68 HD1 PHE 8 HD1 PHE 8 9.308 15.440 0.747 69 HD2 PHE 8 HD2 PHE 8 13.179 14.783 -0.791 70 HE1 PHE 8 HE1 PHE 8 9.055 17.344 -0.705 71 HE2 PHE 8 HE2 PHE 8 12.941 16.725 -2.197 72 HZ PHE 8 HZ PHE 8 10.832 17.935 -2.166 73 H ARG 9 HN ARG 9 8.426 12.510 -1.510 74 HA ARG 9 HA ARG 9 6.623 12.386 0.560 75 HB2 ARG 9 HB2 ARG 9 6.145 12.598 -1.970 76 HB3 ARG 9 HB1 ARG 9 6.371 10.828 -2.067 77 HG2 ARG 9 HG2 ARG 9 4.488 10.447 -0.528 78 HG3 ARG 9 HG1 ARG 9 4.303 12.216 -0.264 79 HD2 ARG 9 HD2 ARG 9 3.736 12.525 -2.708 80 HD3 ARG 9 HD1 ARG 9 3.886 10.730 -2.954 81 HE ARG 9 HE ARG 9 1.686 12.151 -1.553 82 HH11 ARG 9 HH11 ARG 9 3.421 9.094 -2.164 83 HH12 ARG 9 HH12 ARG 9 2.092 8.075 -1.724 84 HH21 ARG 9 HH21 ARG 9 -0.115 10.763 -0.957 85 HH22 ARG 9 HH22 ARG 9 0.048 9.042 -1.027 86 H ASN 10 HN ASN 10 8.688 9.846 -0.861 87 HA ASN 10 HA ASN 10 7.275 7.701 0.318 88 HB2 ASN 10 HB2 ASN 10 10.233 7.878 -0.520 89 HB3 ASN 10 HB1 ASN 10 9.321 6.357 -0.193 90 HD21 ASN 10 HD21 ASN 10 10.234 8.674 -2.570 91 H PHE 11 HN PHE 11 9.228 10.239 1.616 92 HA PHE 11 HA PHE 11 9.689 8.599 4.009 93 HB2 PHE 11 HB2 PHE 11 11.259 11.072 3.036 94 HB3 PHE 11 HB1 PHE 11 11.517 10.234 4.615 95 HD1 PHE 11 HD1 PHE 11 12.141 10.198 1.035 96 HD2 PHE 11 HD2 PHE 11 12.448 7.968 4.643 97 HE1 PHE 11 HE1 PHE 11 13.758 8.694 -0.029 98 HE2 PHE 11 HE2 PHE 11 14.064 6.468 3.575 99 HZ PHE 11 HZ PHE 11 14.721 6.828 1.239 100 H ILE 12 HN ILE 12 9.631 12.213 3.287 101 HA ILE 12 HA ILE 12 7.235 12.388 4.793 102 HB ILE 12 HB ILE 12 9.501 14.189 5.621 103 HG12 ILE 12 HG12 ILE 12 9.147 12.744 7.877 104 HG13 ILE 12 HG11 ILE 12 8.748 11.459 6.689 105 HG21 ILE 12 HG21 ILE 12 7.505 14.060 7.628 106 HG22 ILE 12 HG22 ILE 12 6.561 13.944 6.092 107 HG23 ILE 12 HG23 ILE 12 7.667 15.342 6.369 108 HD11 ILE 12 HD11 ILE 12 11.062 12.521 5.546 109 HD12 ILE 12 HD12 ILE 12 11.030 11.097 6.661 110 HD13 ILE 12 HD13 ILE 12 11.399 12.742 7.309 111 H LEU 13 HN LEU 13 6.025 13.687 4.131 112 HA LEU 13 HA LEU 13 6.447 16.201 3.352 113 HB2 LEU 13 HB2 LEU 13 7.550 14.731 1.308 114 HB3 LEU 13 HB1 LEU 13 5.847 14.933 0.742 115 HG LEU 13 HG LEU 13 7.283 16.834 -0.005 116 HD11 LEU 13 HD11 LEU 13 5.850 18.707 0.841 117 HD12 LEU 13 HD12 LEU 13 5.211 17.629 2.144 118 HD13 LEU 13 HD13 LEU 13 4.866 17.258 0.411 119 HD21 LEU 13 HD21 LEU 13 8.290 16.617 2.725 120 HD22 LEU 13 HD22 LEU 13 7.633 18.281 2.477 121 HD23 LEU 13 HD23 LEU 13 8.905 17.642 1.371 122 H GLN 14 HN GLN 14 4.799 14.664 4.876 123 HA GLN 14 HA GLN 14 2.304 15.401 3.637 124 HB2 GLN 14 HB2 GLN 14 2.785 12.662 4.933 125 HB3 GLN 14 HB1 GLN 14 1.159 13.343 4.561 126 HG2 GLN 14 HG2 GLN 14 1.832 13.562 2.148 127 HG3 GLN 14 HG1 GLN 14 3.396 12.729 2.540 128 HE21 GLN 14 HE21 GLN 14 3.347 10.582 2.029 129 HE22 GLN 14 HE22 GLN 14 1.980 9.532 2.182 130 H ARG 15 HN ARG 15 0.582 15.551 5.310 131 HA ARG 15 HA ARG 15 1.893 16.753 7.598 132 HB2 ARG 15 HB2 ARG 15 -0.858 16.988 6.317 133 HB3 ARG 15 HB1 ARG 15 -0.597 17.545 8.008 134 HG2 ARG 15 HG2 ARG 15 -0.351 19.406 6.350 135 HG3 ARG 15 HG1 ARG 15 1.144 19.125 7.300 136 HD2 ARG 15 HD2 ARG 15 1.572 19.558 4.803 137 HD3 ARG 15 HD1 ARG 15 2.219 17.954 5.360 138 HE ARG 15 HE ARG 15 0.617 16.883 3.975 139 HH11 ARG 15 HH11 ARG 15 -0.198 20.332 4.421 140 HH12 ARG 15 HH12 ARG 15 -1.453 20.348 3.229 141 HH21 ARG 15 HH21 ARG 15 -1.091 16.916 2.351 142 HH22 ARG 15 HH22 ARG 15 -1.969 18.373 2.034 143 H LYS 16 HN LYS 16 1.168 13.696 6.974 144 HA LYS 16 HA LYS 16 -0.394 13.234 9.386 145 HB2 LYS 16 HB2 LYS 16 0.915 10.977 7.839 146 HB3 LYS 16 HB1 LYS 16 -0.667 10.993 8.691 147 HG2 LYS 16 HG2 LYS 16 -1.531 12.553 6.839 148 HG3 LYS 16 HG1 LYS 16 0.010 12.232 5.964 149 HD2 LYS 16 HD2 LYS 16 -1.983 10.063 6.871 150 HD3 LYS 16 HD1 LYS 16 -1.907 10.765 5.218 151 HE2 LYS 16 HE2 LYS 16 0.494 9.951 5.021 152 HE3 LYS 16 HE1 LYS 16 0.323 9.161 6.643 153 HZ1 LYS 16 HZ1 LYS 16 -1.098 8.553 4.119 154 HZ2 LYS 16 HZ2 LYS 16 -1.684 8.037 5.628 155 HZ3 LYS 16 HZ3 LYS 16 -0.151 7.537 5.095 156 H LYS 17 HN LYS 17 2.733 13.915 8.443 157 HA LYS 17 HA LYS 17 3.881 12.177 10.507 158 HB2 LYS 17 HB2 LYS 17 4.974 13.461 7.964 159 HB3 LYS 17 HB1 LYS 17 6.098 13.108 9.325 160 HG2 LYS 17 HG2 LYS 17 5.874 10.797 9.122 161 HG3 LYS 17 HG1 LYS 17 4.222 10.897 8.420 162 HD2 LYS 17 HD2 LYS 17 6.771 11.776 6.947 163 HD3 LYS 17 HD1 LYS 17 6.081 10.126 6.836 164 HE2 LYS 17 HE2 LYS 17 3.826 11.565 6.188 165 HE3 LYS 17 HE1 LYS 17 5.099 12.736 5.612 166 HZ1 LYS 17 HZ1 LYS 17 6.124 10.660 4.551 167 HZ2 LYS 17 HZ2 LYS 17 4.745 11.358 3.837 168 HZ3 LYS 17 HZ3 LYS 17 4.597 9.946 4.768 Start of MODEL 10 1 H1 GLU 1 HT1 GLU 1 3.652 18.063 -15.452 2 H2 GLU 1 HT2 GLU 1 4.746 16.814 -15.089 3 H3 GLU 1 HT3 GLU 1 4.530 18.100 -13.998 4 HA GLU 1 HA GLU 1 2.034 17.210 -14.253 5 HB2 GLU 1 HB2 GLU 1 2.896 15.262 -15.618 6 HB3 GLU 1 HB1 GLU 1 3.911 14.775 -14.215 7 HG2 GLU 1 HG2 GLU 1 1.858 14.390 -12.828 8 HG3 GLU 1 HG1 GLU 1 0.817 14.922 -14.207 9 H MET 2 HN MET 2 5.206 16.492 -12.684 10 HA MET 2 HA MET 2 3.842 16.962 -10.137 11 HB2 MET 2 HB2 MET 2 5.932 14.796 -10.719 12 HB3 MET 2 HB1 MET 2 5.490 15.346 -9.065 13 HG2 MET 2 HG2 MET 2 3.142 14.626 -9.422 14 HG3 MET 2 HG1 MET 2 3.529 14.125 -11.100 15 HE1 MET 2 HE1 MET 2 2.754 10.813 -9.207 16 HE2 MET 2 HE2 MET 2 2.330 11.935 -10.546 17 HE3 MET 2 HE3 MET 2 2.076 12.438 -8.838 18 H ARG 3 HN ARG 3 5.256 17.743 -8.460 19 HA ARG 3 HA ARG 3 7.572 19.020 -9.627 20 HB2 ARG 3 HB2 ARG 3 5.860 20.691 -9.009 21 HB3 ARG 3 HB1 ARG 3 5.747 19.926 -7.385 22 HG2 ARG 3 HG2 ARG 3 7.978 20.637 -6.780 23 HG3 ARG 3 HG1 ARG 3 8.351 21.147 -8.465 24 HD2 ARG 3 HD2 ARG 3 6.692 22.996 -8.315 25 HD3 ARG 3 HD1 ARG 3 6.196 22.443 -6.658 26 HE ARG 3 HE ARG 3 8.193 23.379 -5.785 27 HH11 ARG 3 HH11 ARG 3 8.290 23.230 -9.348 28 HH12 ARG 3 HH12 ARG 3 9.728 24.182 -9.499 29 HH21 ARG 3 HH21 ARG 3 10.146 24.671 -5.998 30 HH22 ARG 3 HH22 ARG 3 10.800 25.014 -7.564 31 H LEU 4 HN LEU 4 6.135 17.835 -6.660 32 HA LEU 4 HA LEU 4 8.591 17.629 -5.322 33 HB2 LEU 4 HB2 LEU 4 6.282 15.778 -4.700 34 HB3 LEU 4 HB1 LEU 4 7.337 16.682 -3.543 35 HG LEU 4 HG LEU 4 6.119 18.818 -4.495 36 HD11 LEU 4 HD11 LEU 4 3.545 17.614 -4.861 37 HD12 LEU 4 HD12 LEU 4 4.663 16.678 -5.923 38 HD13 LEU 4 HD13 LEU 4 4.535 18.474 -6.101 39 HD21 LEU 4 HD21 LEU 4 4.865 16.734 -2.607 40 HD22 LEU 4 HD22 LEU 4 4.176 18.390 -2.834 41 HD23 LEU 4 HD23 LEU 4 5.849 18.190 -2.185 42 H SER 5 HN SER 5 6.607 15.653 -7.465 43 HA SER 5 HA SER 5 6.935 13.678 -8.402 44 HB2 SER 5 HB2 SER 5 9.107 14.810 -9.213 45 HB3 SER 5 HB1 SER 5 9.947 13.997 -7.837 46 HG SER 5 HG SER 5 9.657 13.010 -10.128 47 H ORN 6 HN ORN 6 9.830 12.485 -6.936 48 HA ORN 6 HA ORN 6 8.156 10.961 -5.066 49 HB2 ORN 6 HB1 ORN 6 11.049 10.277 -5.783 50 HB3 ORN 6 HB2 ORN 6 9.713 9.785 -6.879 51 HG2 ORN 6 HG1 ORN 6 9.003 8.115 -5.480 52 HG3 ORN 6 HG2 ORN 6 9.222 9.110 -4.001 53 HD2 ORN 6 HD2 ORN 6 10.906 6.964 -4.973 54 HD3 ORN 6 HD1 ORN 6 11.866 8.488 -5.123 55 H PHE 7 HN PHE 7 9.247 13.776 -4.849 56 HA PHE 7 HA PHE 7 11.111 14.720 -3.719 57 HB2 PHE 7 HB2 PHE 7 9.625 15.445 -1.649 58 HB3 PHE 7 HB1 PHE 7 9.145 15.923 -3.290 59 HD1 PHE 7 HD1 PHE 7 8.061 14.667 -0.275 60 HD2 PHE 7 HD2 PHE 7 7.533 14.163 -4.424 61 HE1 PHE 7 HE1 PHE 7 5.857 13.821 0.116 62 HE2 PHE 7 HE2 PHE 7 5.299 13.325 -4.029 63 HZ PHE 7 HZ PHE 7 4.473 13.172 -1.720 64 H PHE 8 HN PHE 8 9.523 13.850 -0.835 65 HA PHE 8 HA PHE 8 11.781 12.162 -0.112 66 HB2 PHE 8 HB2 PHE 8 10.653 13.539 2.245 67 HB3 PHE 8 HB1 PHE 8 12.347 13.680 1.589 68 HD1 PHE 8 HD1 PHE 8 9.063 14.967 1.685 69 HD2 PHE 8 HD2 PHE 8 12.846 15.235 -0.120 70 HE1 PHE 8 HE1 PHE 8 8.335 16.931 0.496 71 HE2 PHE 8 HE2 PHE 8 12.151 17.239 -1.274 72 HZ PHE 8 HZ PHE 8 9.860 18.023 -0.995 73 H ARG 9 HN ARG 9 8.875 12.129 -1.125 74 HA ARG 9 HA ARG 9 7.097 11.180 0.731 75 HB2 ARG 9 HB2 ARG 9 6.802 11.661 -1.851 76 HB3 ARG 9 HB1 ARG 9 7.311 9.963 -2.062 77 HG2 ARG 9 HG2 ARG 9 5.414 9.139 -0.766 78 HG3 ARG 9 HG1 ARG 9 4.953 10.807 -0.279 79 HD2 ARG 9 HD2 ARG 9 3.440 10.124 -2.092 80 HD3 ARG 9 HD1 ARG 9 4.605 11.326 -2.810 81 HE ARG 9 HE ARG 9 5.671 8.649 -3.096 82 HH11 ARG 9 HH11 ARG 9 3.107 10.828 -4.262 83 HH12 ARG 9 HH12 ARG 9 2.984 10.100 -5.828 84 HH21 ARG 9 HH21 ARG 9 5.506 7.656 -5.225 85 HH22 ARG 9 HH22 ARG 9 4.374 8.264 -6.384 86 H ASN 10 HN ASN 10 9.803 9.490 -0.897 87 HA ASN 10 HA ASN 10 8.926 6.906 -0.317 88 HB2 ASN 10 HB2 ASN 10 11.751 8.059 -0.671 89 HB3 ASN 10 HB1 ASN 10 11.430 6.300 -0.447 90 HD21 ASN 10 HD21 ASN 10 11.737 8.841 -2.750 91 H PHE 11 HN PHE 11 10.148 9.482 1.740 92 HA PHE 11 HA PHE 11 10.482 7.478 3.864 93 HB2 PHE 11 HB2 PHE 11 11.612 10.342 3.682 94 HB3 PHE 11 HB1 PHE 11 11.773 9.258 5.115 95 HD1 PHE 11 HD1 PHE 11 12.977 10.063 1.775 96 HD2 PHE 11 HD2 PHE 11 13.182 7.265 4.971 97 HE1 PHE 11 HE1 PHE 11 15.048 9.141 0.840 98 HE2 PHE 11 HE2 PHE 11 15.252 6.348 4.032 99 HZ PHE 11 HZ PHE 11 16.186 7.284 1.967 100 H ILE 12 HN ILE 12 9.706 11.074 3.699 101 HA ILE 12 HA ILE 12 7.132 10.857 4.371 102 HB ILE 12 HB ILE 12 7.212 10.427 6.575 103 HG12 ILE 12 HG12 ILE 12 6.906 12.944 6.345 104 HG13 ILE 12 HG11 ILE 12 7.285 12.305 7.963 105 HG21 ILE 12 HG21 ILE 12 10.219 10.971 6.306 106 HG22 ILE 12 HG22 ILE 12 9.373 9.449 6.780 107 HG23 ILE 12 HG23 ILE 12 9.470 10.824 7.939 108 HD11 ILE 12 HD11 ILE 12 8.595 14.449 6.667 109 HD12 ILE 12 HD12 ILE 12 9.742 13.072 6.449 110 HD13 ILE 12 HD13 ILE 12 9.209 13.550 8.108 111 H LEU 13 HN LEU 13 6.335 12.944 4.272 112 HA LEU 13 HA LEU 13 8.403 14.899 3.678 113 HB2 LEU 13 HB2 LEU 13 7.272 15.539 1.772 114 HB3 LEU 13 HB1 LEU 13 6.808 13.802 1.853 115 HG LEU 13 HG LEU 13 5.057 15.889 3.203 116 HD11 LEU 13 HD11 LEU 13 5.842 16.140 0.478 117 HD12 LEU 13 HD12 LEU 13 4.409 16.903 1.279 118 HD13 LEU 13 HD13 LEU 13 4.223 15.326 0.423 119 HD21 LEU 13 HD21 LEU 13 3.327 14.240 2.885 120 HD22 LEU 13 HD22 LEU 13 4.783 13.290 3.391 121 HD23 LEU 13 HD23 LEU 13 4.289 13.343 1.652 122 H GLN 14 HN GLN 14 5.557 14.003 5.484 123 HA GLN 14 HA GLN 14 4.519 14.934 7.149 124 HB2 GLN 14 HB2 GLN 14 6.879 15.506 7.946 125 HB3 GLN 14 HB1 GLN 14 6.622 17.138 7.221 126 HG2 GLN 14 HG2 GLN 14 4.680 17.548 8.639 127 HG3 GLN 14 HG1 GLN 14 4.735 15.854 9.270 128 HE21 GLN 14 HE21 GLN 14 5.210 18.766 10.457 129 HE22 GLN 14 HE22 GLN 14 6.660 18.579 11.384 130 H ARG 15 HN ARG 15 3.050 15.384 5.248 131 HA ARG 15 HA ARG 15 2.248 18.125 5.506 132 HB2 ARG 15 HB2 ARG 15 3.283 16.971 2.928 133 HB3 ARG 15 HB1 ARG 15 1.729 17.867 2.818 134 HG2 ARG 15 HG2 ARG 15 3.226 19.603 2.440 135 HG3 ARG 15 HG1 ARG 15 3.038 19.724 4.223 136 HD2 ARG 15 HD2 ARG 15 5.162 17.886 3.991 137 HD3 ARG 15 HD1 ARG 15 5.466 19.019 2.604 138 HE ARG 15 HE ARG 15 5.479 19.705 5.511 139 HH11 ARG 15 HH11 ARG 15 5.468 20.785 2.105 140 HH12 ARG 15 HH12 ARG 15 6.108 22.357 2.443 141 HH21 ARG 15 HH21 ARG 15 6.349 21.844 5.959 142 HH22 ARG 15 HH22 ARG 15 6.618 22.969 4.671 143 H LYS 16 HN LYS 16 1.758 15.075 3.704 144 HA LYS 16 HA LYS 16 -1.106 15.313 4.190 145 HB2 LYS 16 HB2 LYS 16 0.453 13.144 2.661 146 HB3 LYS 16 HB1 LYS 16 -1.332 13.354 2.680 147 HG2 LYS 16 HG2 LYS 16 -1.030 15.619 1.581 148 HG3 LYS 16 HG1 LYS 16 0.735 15.282 1.475 149 HD2 LYS 16 HD2 LYS 16 -1.434 13.474 0.245 150 HD3 LYS 16 HD1 LYS 16 -0.602 14.794 -0.649 151 HE2 LYS 16 HE2 LYS 16 1.623 13.662 -0.203 152 HE3 LYS 16 HE1 LYS 16 0.741 12.307 0.618 153 HZ1 LYS 16 HZ1 LYS 16 0.721 13.113 -2.222 154 HZ2 LYS 16 HZ2 LYS 16 -0.567 12.223 -1.566 155 HZ3 LYS 16 HZ3 LYS 16 1.009 11.593 -1.523 156 H LYS 17 HN LYS 17 1.605 14.321 5.790 157 HA LYS 17 HA LYS 17 0.267 11.966 6.914 158 HB2 LYS 17 HB2 LYS 17 3.220 12.541 7.372 159 HB3 LYS 17 HB1 LYS 17 2.370 10.955 7.313 160 HG2 LYS 17 HG2 LYS 17 2.944 12.765 4.879 161 HG3 LYS 17 HG1 LYS 17 3.904 11.325 5.357 162 HD2 LYS 17 HD2 LYS 17 1.994 9.838 4.960 163 HD3 LYS 17 HD1 LYS 17 0.896 11.233 4.688 164 HE2 LYS 17 HE2 LYS 17 2.200 11.878 2.639 165 HE3 LYS 17 HE1 LYS 17 3.318 10.473 2.916 166 HZ1 LYS 17 HZ1 LYS 17 1.860 9.126 2.014 167 HZ2 LYS 17 HZ2 LYS 17 0.967 10.483 1.518 168 HZ3 LYS 17 HZ3 LYS 17 0.575 9.692 2.969 Start of MODEL 11 1 H1 GLU 1 HT1 GLU 1 6.085 14.931 -15.695 2 H2 GLU 1 HT2 GLU 1 6.513 13.994 -14.345 3 H3 GLU 1 HT3 GLU 1 6.575 15.690 -14.257 4 HA GLU 1 HA GLU 1 4.038 15.240 -15.015 5 HB2 GLU 1 HB2 GLU 1 4.968 13.100 -13.022 6 HB3 GLU 1 HB1 GLU 1 3.241 13.575 -13.196 7 HG2 GLU 1 HG2 GLU 1 3.212 12.840 -15.561 8 HG3 GLU 1 HG1 GLU 1 4.986 12.493 -15.511 9 H MET 2 HN MET 2 6.182 15.154 -12.090 10 HA MET 2 HA MET 2 4.638 17.455 -11.133 11 HB2 MET 2 HB2 MET 2 5.616 15.079 -9.473 12 HB3 MET 2 HB1 MET 2 5.194 16.676 -8.764 13 HG2 MET 2 HG2 MET 2 2.871 16.435 -9.757 14 HG3 MET 2 HG1 MET 2 3.309 14.780 -10.292 15 HE1 MET 2 HE1 MET 2 3.601 12.608 -7.274 16 HE2 MET 2 HE2 MET 2 4.982 13.439 -8.066 17 HE3 MET 2 HE3 MET 2 3.608 12.841 -9.056 18 H ARG 3 HN ARG 3 5.753 18.872 -9.818 19 HA ARG 3 HA ARG 3 8.420 19.190 -10.531 20 HB2 ARG 3 HB2 ARG 3 6.937 21.100 -10.037 21 HB3 ARG 3 HB1 ARG 3 6.724 20.444 -8.378 22 HG2 ARG 3 HG2 ARG 3 9.016 20.877 -7.790 23 HG3 ARG 3 HG1 ARG 3 9.471 21.232 -9.494 24 HD2 ARG 3 HD2 ARG 3 9.273 23.359 -8.220 25 HD3 ARG 3 HD1 ARG 3 7.914 23.260 -9.427 26 HE ARG 3 HE ARG 3 7.086 22.108 -6.897 27 HH11 ARG 3 HH11 ARG 3 7.853 25.181 -8.523 28 HH12 ARG 3 HH12 ARG 3 6.789 26.141 -7.552 29 HH21 ARG 3 HH21 ARG 3 5.638 23.412 -5.572 30 HH22 ARG 3 HH22 ARG 3 5.509 25.117 -5.843 31 H LEU 4 HN LEU 4 6.702 18.147 -7.716 32 HA LEU 4 HA LEU 4 8.947 17.841 -6.091 33 HB2 LEU 4 HB2 LEU 4 6.609 15.965 -5.815 34 HB3 LEU 4 HB1 LEU 4 7.421 16.944 -4.529 35 HG LEU 4 HG LEU 4 5.459 17.960 -6.665 36 HD11 LEU 4 HD11 LEU 4 3.753 17.628 -5.222 37 HD12 LEU 4 HD12 LEU 4 4.689 18.256 -3.809 38 HD13 LEU 4 HD13 LEU 4 4.878 16.533 -4.327 39 HD21 LEU 4 HD21 LEU 4 7.120 19.424 -4.555 40 HD22 LEU 4 HD22 LEU 4 5.515 20.070 -5.069 41 HD23 LEU 4 HD23 LEU 4 6.830 19.842 -6.291 42 H SER 5 HN SER 5 7.227 15.923 -8.499 43 HA SER 5 HA SER 5 7.643 13.959 -9.422 44 HB2 SER 5 HB2 SER 5 9.920 15.029 -9.947 45 HB3 SER 5 HB1 SER 5 10.563 14.222 -8.466 46 HG SER 5 HG SER 5 10.486 13.228 -10.809 47 H ORN 6 HN ORN 6 10.303 12.761 -7.508 48 HA ORN 6 HA ORN 6 8.351 11.206 -5.957 49 HB2 ORN 6 HB1 ORN 6 11.334 10.563 -6.137 50 HB3 ORN 6 HB2 ORN 6 10.235 10.068 -7.470 51 HG2 ORN 6 HG1 ORN 6 9.210 8.426 -6.210 52 HG3 ORN 6 HG2 ORN 6 9.305 9.368 -4.685 53 HD2 ORN 6 HD2 ORN 6 10.953 7.156 -5.459 54 HD3 ORN 6 HD1 ORN 6 12.017 8.609 -5.606 55 H PHE 7 HN PHE 7 9.630 14.048 -5.666 56 HA PHE 7 HA PHE 7 11.179 15.011 -4.260 57 HB2 PHE 7 HB2 PHE 7 9.467 15.687 -2.347 58 HB3 PHE 7 HB1 PHE 7 9.195 16.210 -4.011 59 HD1 PHE 7 HD1 PHE 7 7.605 15.157 -1.205 60 HD2 PHE 7 HD2 PHE 7 7.810 14.276 -5.346 61 HE1 PHE 7 HE1 PHE 7 5.324 14.400 -1.178 62 HE2 PHE 7 HE2 PHE 7 5.531 13.503 -5.291 63 HZ PHE 7 HZ PHE 7 4.283 13.584 -3.181 64 H PHE 8 HN PHE 8 9.363 14.138 -1.548 65 HA PHE 8 HA PHE 8 11.532 12.420 -0.653 66 HB2 PHE 8 HB2 PHE 8 10.274 13.836 1.601 67 HB3 PHE 8 HB1 PHE 8 12.012 13.940 1.065 68 HD1 PHE 8 HD1 PHE 8 8.675 15.178 0.710 69 HD2 PHE 8 HD2 PHE 8 12.720 15.561 -0.401 70 HE1 PHE 8 HE1 PHE 8 8.142 17.163 -0.552 71 HE2 PHE 8 HE2 PHE 8 12.186 17.575 -1.622 72 HZ PHE 8 HZ PHE 8 9.860 18.291 -1.715 73 H ARG 9 HN ARG 9 8.685 12.408 -1.859 74 HA ARG 9 HA ARG 9 6.829 11.536 -0.033 75 HB2 ARG 9 HB2 ARG 9 6.507 12.011 -2.562 76 HB3 ARG 9 HB1 ARG 9 7.158 10.370 -2.849 77 HG2 ARG 9 HG2 ARG 9 5.317 9.335 -1.639 78 HG3 ARG 9 HG1 ARG 9 4.723 10.932 -1.062 79 HD2 ARG 9 HD2 ARG 9 4.187 11.601 -3.434 80 HD3 ARG 9 HD1 ARG 9 4.777 9.978 -4.013 81 HE ARG 9 HE ARG 9 2.861 9.448 -1.989 82 HH11 ARG 9 HH11 ARG 9 3.056 11.090 -5.144 83 HH12 ARG 9 HH12 ARG 9 1.408 10.782 -5.579 84 HH21 ARG 9 HH21 ARG 9 0.621 9.029 -2.580 85 HH22 ARG 9 HH22 ARG 9 -0.001 9.590 -4.096 86 H ASN 10 HN ASN 10 9.575 9.811 -1.550 87 HA ASN 10 HA ASN 10 8.732 7.236 -0.881 88 HB2 ASN 10 HB2 ASN 10 11.554 8.428 -1.161 89 HB3 ASN 10 HB1 ASN 10 11.244 6.671 -0.904 90 HD21 ASN 10 HD21 ASN 10 11.771 9.067 -3.261 91 H PHE 11 HN PHE 11 10.001 9.931 1.030 92 HA PHE 11 HA PHE 11 10.320 8.116 3.306 93 HB2 PHE 11 HB2 PHE 11 11.076 11.092 2.983 94 HB3 PHE 11 HB1 PHE 11 11.288 10.137 4.499 95 HD1 PHE 11 HD1 PHE 11 12.560 10.836 1.152 96 HD2 PHE 11 HD2 PHE 11 12.976 8.390 4.605 97 HE1 PHE 11 HE1 PHE 11 14.791 10.153 0.402 98 HE2 PHE 11 HE2 PHE 11 15.207 7.710 3.850 99 HZ PHE 11 HZ PHE 11 16.116 8.590 1.749 100 H ILE 12 HN ILE 12 9.161 11.599 2.986 101 HA ILE 12 HA ILE 12 6.558 10.873 3.628 102 HB ILE 12 HB ILE 12 6.332 12.316 5.588 103 HG12 ILE 12 HG12 ILE 12 8.723 12.578 6.851 104 HG13 ILE 12 HG11 ILE 12 9.284 12.667 5.145 105 HG21 ILE 12 HG21 ILE 12 7.049 10.718 7.269 106 HG22 ILE 12 HG22 ILE 12 8.346 10.072 6.194 107 HG23 ILE 12 HG23 ILE 12 6.609 9.782 5.791 108 HD11 ILE 12 HD11 ILE 12 8.487 14.799 4.913 109 HD12 ILE 12 HD12 ILE 12 8.162 14.797 6.689 110 HD13 ILE 12 HD13 ILE 12 6.855 14.334 5.531 111 H LEU 13 HN LEU 13 5.236 12.587 3.660 112 HA LEU 13 HA LEU 13 5.923 15.153 3.411 113 HB2 LEU 13 HB2 LEU 13 6.765 14.071 1.052 114 HB3 LEU 13 HB1 LEU 13 5.046 14.471 0.653 115 HG LEU 13 HG LEU 13 6.694 16.342 0.209 116 HD11 LEU 13 HD11 LEU 13 5.260 18.120 1.022 117 HD12 LEU 13 HD12 LEU 13 4.652 17.094 2.379 118 HD13 LEU 13 HD13 LEU 13 4.199 16.700 0.677 119 HD21 LEU 13 HD21 LEU 13 7.751 15.617 2.704 120 HD22 LEU 13 HD22 LEU 13 6.840 17.129 3.094 121 HD23 LEU 13 HD23 LEU 13 8.123 17.155 1.822 122 H GLN 14 HN GLN 14 4.309 13.706 4.827 123 HA GLN 14 HA GLN 14 1.674 14.246 3.705 124 HB2 GLN 14 HB2 GLN 14 2.584 12.483 6.048 125 HB3 GLN 14 HB1 GLN 14 0.863 12.958 5.804 126 HG2 GLN 14 HG2 GLN 14 0.784 11.852 3.629 127 HG3 GLN 14 HG1 GLN 14 2.559 11.493 3.687 128 HE21 GLN 14 HE21 GLN 14 0.254 9.570 3.546 129 HE22 GLN 14 HE22 GLN 14 0.400 8.547 4.935 130 H ARG 15 HN ARG 15 0.148 14.990 5.688 131 HA ARG 15 HA ARG 15 1.705 17.196 6.808 132 HB2 ARG 15 HB2 ARG 15 -1.190 16.859 5.962 133 HB3 ARG 15 HB1 ARG 15 -0.804 18.021 7.283 134 HG2 ARG 15 HG2 ARG 15 -0.877 19.040 4.943 135 HG3 ARG 15 HG1 ARG 15 0.636 19.338 5.861 136 HD2 ARG 15 HD2 ARG 15 1.086 18.753 3.428 137 HD3 ARG 15 HD1 ARG 15 1.817 17.524 4.549 138 HE ARG 15 HE ARG 15 0.253 15.915 3.741 139 HH11 ARG 15 HH11 ARG 15 -0.620 19.218 2.688 140 HH12 ARG 15 HH12 ARG 15 -1.834 18.701 1.564 141 HH21 ARG 15 HH21 ARG 15 -1.394 15.227 2.210 142 HH22 ARG 15 HH22 ARG 15 -2.281 16.397 1.290 143 H LYS 16 HN LYS 16 2.362 16.913 8.823 144 HA LYS 16 HA LYS 16 2.449 16.246 10.911 145 HB2 LYS 16 HB2 LYS 16 -0.557 16.388 10.590 146 HB3 LYS 16 HB1 LYS 16 0.159 15.705 12.091 147 HG2 LYS 16 HG2 LYS 16 1.372 18.287 11.175 148 HG3 LYS 16 HG1 LYS 16 -0.357 18.400 11.671 149 HD2 LYS 16 HD2 LYS 16 0.727 18.781 13.711 150 HD3 LYS 16 HD1 LYS 16 0.449 17.007 13.796 151 HE2 LYS 16 HE2 LYS 16 2.795 16.566 13.074 152 HE3 LYS 16 HE1 LYS 16 3.083 18.345 12.865 153 HZ1 LYS 16 HZ1 LYS 16 2.034 17.902 15.420 154 HZ2 LYS 16 HZ2 LYS 16 3.580 18.445 14.976 155 HZ3 LYS 16 HZ3 LYS 16 3.287 16.783 15.175 156 H LYS 17 HN LYS 17 3.182 14.488 9.224 157 HA LYS 17 HA LYS 17 1.994 12.065 8.985 158 HB2 LYS 17 HB2 LYS 17 4.606 11.296 9.255 159 HB3 LYS 17 HB1 LYS 17 3.993 12.117 7.774 160 HG2 LYS 17 HG2 LYS 17 5.006 13.816 10.112 161 HG3 LYS 17 HG1 LYS 17 6.188 13.006 9.024 162 HD2 LYS 17 HD2 LYS 17 5.786 14.450 7.303 163 HD3 LYS 17 HD1 LYS 17 4.011 14.399 7.539 164 HE2 LYS 17 HE2 LYS 17 5.019 16.712 7.873 165 HE3 LYS 17 HE1 LYS 17 4.160 16.116 9.363 166 HZ1 LYS 17 HZ1 LYS 17 6.894 16.796 8.966 167 HZ2 LYS 17 HZ2 LYS 17 6.758 15.208 9.551 168 HZ3 LYS 17 HZ3 LYS 17 6.041 16.491 10.402 Start of MODEL 12 1 H1 GLU 1 HT1 GLU 1 4.772 17.043 -15.097 2 H2 GLU 1 HT2 GLU 1 4.512 18.275 -13.958 3 H3 GLU 1 HT3 GLU 1 3.652 18.278 -15.422 4 HA GLU 1 HA GLU 1 2.040 17.316 -14.310 5 HB2 GLU 1 HB2 GLU 1 4.086 15.036 -14.454 6 HB3 GLU 1 HB1 GLU 1 2.383 14.777 -13.934 7 HG2 GLU 1 HG2 GLU 1 1.532 15.541 -16.132 8 HG3 GLU 1 HG1 GLU 1 3.204 15.973 -16.667 9 H MET 2 HN MET 2 5.177 16.571 -12.654 10 HA MET 2 HA MET 2 3.744 17.050 -10.148 11 HB2 MET 2 HB2 MET 2 5.807 14.844 -10.676 12 HB3 MET 2 HB1 MET 2 5.296 15.376 -9.037 13 HG2 MET 2 HG2 MET 2 2.944 14.716 -9.541 14 HG3 MET 2 HG1 MET 2 3.432 14.202 -11.187 15 HE1 MET 2 HE1 MET 2 2.133 12.046 -10.664 16 HE2 MET 2 HE2 MET 2 1.814 12.566 -8.974 17 HE3 MET 2 HE3 MET 2 2.468 10.923 -9.300 18 H ARG 3 HN ARG 3 5.124 17.793 -8.426 19 HA ARG 3 HA ARG 3 7.492 19.035 -9.522 20 HB2 ARG 3 HB2 ARG 3 5.797 20.716 -8.881 21 HB3 ARG 3 HB1 ARG 3 5.664 19.917 -7.275 22 HG2 ARG 3 HG2 ARG 3 7.919 20.562 -6.658 23 HG3 ARG 3 HG1 ARG 3 8.286 21.132 -8.325 24 HD2 ARG 3 HD2 ARG 3 6.660 22.992 -8.093 25 HD3 ARG 3 HD1 ARG 3 6.168 22.389 -6.449 26 HE ARG 3 HE ARG 3 8.981 22.716 -6.355 27 HH11 ARG 3 HH11 ARG 3 6.082 24.683 -6.988 28 HH12 ARG 3 HH12 ARG 3 6.754 26.153 -6.366 29 HH21 ARG 3 HH21 ARG 3 9.899 24.715 -5.511 30 HH22 ARG 3 HH22 ARG 3 8.962 26.170 -5.513 31 H LEU 4 HN LEU 4 5.995 17.797 -6.611 32 HA LEU 4 HA LEU 4 8.394 17.524 -5.205 33 HB2 LEU 4 HB2 LEU 4 6.090 15.632 -4.746 34 HB3 LEU 4 HB1 LEU 4 7.079 16.519 -3.520 35 HG LEU 4 HG LEU 4 5.869 18.661 -4.462 36 HD11 LEU 4 HD11 LEU 4 4.522 16.559 -6.024 37 HD12 LEU 4 HD12 LEU 4 4.328 18.354 -6.114 38 HD13 LEU 4 HD13 LEU 4 3.333 17.393 -4.953 39 HD21 LEU 4 HD21 LEU 4 3.827 18.072 -2.910 40 HD22 LEU 4 HD22 LEU 4 5.484 18.057 -2.196 41 HD23 LEU 4 HD23 LEU 4 4.677 16.501 -2.638 42 H SER 5 HN SER 5 6.498 15.603 -7.482 43 HA SER 5 HA SER 5 6.799 13.537 -8.298 44 HB2 SER 5 HB2 SER 5 9.675 14.622 -8.450 45 HB3 SER 5 HB1 SER 5 9.140 13.103 -9.276 46 HG SER 5 HG SER 5 8.645 15.753 -9.857 47 H ORN 6 HN ORN 6 10.135 12.990 -7.445 48 HA ORN 6 HA ORN 6 9.214 11.140 -5.370 49 HB2 ORN 6 HB1 ORN 6 11.892 11.314 -6.891 50 HB3 ORN 6 HB2 ORN 6 10.624 10.071 -7.150 51 HG2 ORN 6 HG1 ORN 6 12.211 10.461 -4.527 52 HG3 ORN 6 HG2 ORN 6 12.593 9.253 -5.796 53 HD2 ORN 6 HD2 ORN 6 9.748 9.180 -4.775 54 HD3 ORN 6 HD1 ORN 6 10.889 7.830 -5.160 55 H PHE 7 HN PHE 7 8.839 13.389 -4.275 56 HA PHE 7 HA PHE 7 10.993 14.845 -3.478 57 HB2 PHE 7 HB2 PHE 7 9.300 15.480 -1.558 58 HB3 PHE 7 HB1 PHE 7 8.908 15.927 -3.232 59 HD1 PHE 7 HD1 PHE 7 7.744 14.611 -0.287 60 HD2 PHE 7 HD2 PHE 7 7.437 14.087 -4.455 61 HE1 PHE 7 HE1 PHE 7 5.589 13.642 0.004 62 HE2 PHE 7 HE2 PHE 7 5.239 13.111 -4.157 63 HZ PHE 7 HZ PHE 7 4.326 12.912 -1.888 64 H PHE 8 HN PHE 8 9.228 13.849 -0.670 65 HA PHE 8 HA PHE 8 11.560 12.291 0.137 66 HB2 PHE 8 HB2 PHE 8 10.309 13.582 2.453 67 HB3 PHE 8 HB1 PHE 8 11.988 13.855 1.807 68 HD1 PHE 8 HD1 PHE 8 8.608 14.871 1.863 69 HD2 PHE 8 HD2 PHE 8 12.385 15.466 0.132 70 HE1 PHE 8 HE1 PHE 8 7.739 16.781 0.679 71 HE2 PHE 8 HE2 PHE 8 11.546 17.420 -1.017 72 HZ PHE 8 HZ PHE 8 9.191 18.002 -0.773 73 H ARG 9 HN ARG 9 8.378 12.150 -0.702 74 HA ARG 9 HA ARG 9 7.122 10.869 1.415 75 HB2 ARG 9 HB2 ARG 9 5.597 9.792 -0.226 76 HB3 ARG 9 HB1 ARG 9 5.822 11.527 -0.583 77 HG2 ARG 9 HG2 ARG 9 7.531 10.946 -2.335 78 HG3 ARG 9 HG1 ARG 9 7.270 9.203 -1.988 79 HD2 ARG 9 HD2 ARG 9 4.960 11.065 -2.861 80 HD3 ARG 9 HD1 ARG 9 5.989 10.150 -4.043 81 HE ARG 9 HE ARG 9 3.971 9.010 -2.194 82 HH11 ARG 9 HH11 ARG 9 6.848 8.468 -4.232 83 HH12 ARG 9 HH12 ARG 9 6.559 6.775 -4.454 84 HH21 ARG 9 HH21 ARG 9 3.583 6.708 -2.501 85 HH22 ARG 9 HH22 ARG 9 4.673 5.761 -3.457 86 H ASN 10 HN ASN 10 9.733 9.716 -0.619 87 HA ASN 10 HA ASN 10 9.092 6.988 -0.405 88 HB2 ASN 10 HB2 ASN 10 11.786 8.422 -0.786 89 HB3 ASN 10 HB1 ASN 10 11.604 6.627 -0.821 90 HD21 ASN 10 HD21 ASN 10 11.804 9.337 -2.809 91 H PHE 11 HN PHE 11 10.091 9.408 1.846 92 HA PHE 11 HA PHE 11 10.682 7.281 3.784 93 HB2 PHE 11 HB2 PHE 11 11.556 10.245 3.787 94 HB3 PHE 11 HB1 PHE 11 11.794 9.110 5.169 95 HD1 PHE 11 HD1 PHE 11 12.947 10.152 1.868 96 HD2 PHE 11 HD2 PHE 11 13.402 7.292 4.982 97 HE1 PHE 11 HE1 PHE 11 15.111 9.476 0.936 98 HE2 PHE 11 HE2 PHE 11 15.564 6.622 4.046 99 HZ PHE 11 HZ PHE 11 16.422 7.712 2.024 100 H ILE 12 HN ILE 12 9.608 10.799 3.837 101 HA ILE 12 HA ILE 12 7.040 10.322 4.427 102 HB ILE 12 HB ILE 12 6.927 10.073 6.634 103 HG12 ILE 12 HG12 ILE 12 6.980 12.620 6.485 104 HG13 ILE 12 HG11 ILE 12 7.270 11.890 8.084 105 HG21 ILE 12 HG21 ILE 12 9.143 10.086 8.078 106 HG22 ILE 12 HG22 ILE 12 9.991 10.195 6.493 107 HG23 ILE 12 HG23 ILE 12 8.921 8.786 6.853 108 HD11 ILE 12 HD11 ILE 12 8.862 13.861 6.871 109 HD12 ILE 12 HD12 ILE 12 9.790 12.349 6.536 110 HD13 ILE 12 HD13 ILE 12 9.377 12.796 8.237 111 H LEU 13 HN LEU 13 6.055 12.332 4.296 112 HA LEU 13 HA LEU 13 7.981 14.440 3.737 113 HB2 LEU 13 HB2 LEU 13 6.793 15.017 1.843 114 HB3 LEU 13 HB1 LEU 13 6.434 13.256 1.921 115 HG LEU 13 HG LEU 13 4.577 15.175 3.334 116 HD11 LEU 13 HD11 LEU 13 3.770 16.224 1.487 117 HD12 LEU 13 HD12 LEU 13 3.840 14.723 0.491 118 HD13 LEU 13 HD13 LEU 13 5.327 15.744 0.692 119 HD21 LEU 13 HD21 LEU 13 4.403 12.622 3.449 120 HD22 LEU 13 HD22 LEU 13 4.057 12.639 1.673 121 HD23 LEU 13 HD23 LEU 13 2.925 13.454 2.817 122 H GLN 14 HN GLN 14 5.247 13.341 5.569 123 HA GLN 14 HA GLN 14 4.009 14.203 7.155 124 HB2 GLN 14 HB2 GLN 14 5.027 15.520 8.901 125 HB3 GLN 14 HB1 GLN 14 6.223 14.329 8.299 126 HG2 GLN 14 HG2 GLN 14 7.397 16.070 6.999 127 HG3 GLN 14 HG1 GLN 14 6.139 17.296 7.436 128 HE21 GLN 14 HE21 GLN 14 6.417 18.449 9.307 129 HE22 GLN 14 HE22 GLN 14 7.555 18.074 10.555 130 H ARG 15 HN ARG 15 4.147 15.851 4.453 131 HA ARG 15 HA ARG 15 2.933 18.235 5.609 132 HB2 ARG 15 HB2 ARG 15 4.327 17.661 3.002 133 HB3 ARG 15 HB1 ARG 15 2.901 18.753 2.909 134 HG2 ARG 15 HG2 ARG 15 4.708 20.241 3.214 135 HG3 ARG 15 HG1 ARG 15 4.013 20.084 4.862 136 HD2 ARG 15 HD2 ARG 15 5.809 18.470 5.508 137 HD3 ARG 15 HD1 ARG 15 6.492 18.528 3.825 138 HE ARG 15 HE ARG 15 6.715 20.634 5.905 139 HH11 ARG 15 HH11 ARG 15 6.922 19.755 2.454 140 HH12 ARG 15 HH12 ARG 15 7.954 21.077 2.025 141 HH21 ARG 15 HH21 ARG 15 8.116 22.424 5.316 142 HH22 ARG 15 HH22 ARG 15 8.645 22.618 3.679 143 H LYS 16 HN LYS 16 2.318 15.213 4.089 144 HA LYS 16 HA LYS 16 -0.449 16.064 3.646 145 HB2 LYS 16 HB2 LYS 16 -0.345 15.082 1.579 146 HB3 LYS 16 HB1 LYS 16 1.378 14.685 1.875 147 HG2 LYS 16 HG2 LYS 16 0.723 12.538 2.955 148 HG3 LYS 16 HG1 LYS 16 -1.016 12.936 2.723 149 HD2 LYS 16 HD2 LYS 16 -0.382 11.415 0.957 150 HD3 LYS 16 HD1 LYS 16 -0.592 13.038 0.215 151 HE2 LYS 16 HE2 LYS 16 1.884 13.377 0.195 152 HE3 LYS 16 HE1 LYS 16 2.120 11.775 1.009 153 HZ1 LYS 16 HZ1 LYS 16 2.301 11.103 -1.086 154 HZ2 LYS 16 HZ2 LYS 16 1.433 12.407 -1.740 155 HZ3 LYS 16 HZ3 LYS 16 0.603 11.089 -1.063 156 H LYS 17 HN LYS 17 1.761 14.404 5.581 157 HA LYS 17 HA LYS 17 -0.157 12.349 6.338 158 HB2 LYS 17 HB2 LYS 17 2.603 12.886 7.578 159 HB3 LYS 17 HB1 LYS 17 1.615 11.390 7.722 160 HG2 LYS 17 HG2 LYS 17 2.896 12.452 5.128 161 HG3 LYS 17 HG1 LYS 17 3.543 11.123 6.149 162 HD2 LYS 17 HD2 LYS 17 1.471 9.787 5.736 163 HD3 LYS 17 HD1 LYS 17 0.798 11.120 4.737 164 HE2 LYS 17 HE2 LYS 17 2.690 10.868 3.108 165 HE3 LYS 17 HE1 LYS 17 3.373 9.521 4.115 166 HZ1 LYS 17 HZ1 LYS 17 0.596 9.170 3.506 167 HZ2 LYS 17 HZ2 LYS 17 1.915 8.126 3.276 168 HZ3 LYS 17 HZ3 LYS 17 1.551 9.306 2.109 Start of MODEL 13 1 H1 GLU 1 HT1 GLU 1 2.655 16.326 -14.985 2 H2 GLU 1 HT2 GLU 1 3.675 15.375 -15.958 3 H3 GLU 1 HT3 GLU 1 3.195 16.917 -16.485 4 HA GLU 1 HA GLU 1 5.501 16.362 -15.282 5 HB2 GLU 1 HB2 GLU 1 5.726 18.830 -14.946 6 HB3 GLU 1 HB1 GLU 1 4.963 18.443 -16.529 7 HG2 GLU 1 HG2 GLU 1 2.678 18.878 -15.515 8 HG3 GLU 1 HG1 GLU 1 3.480 19.345 -13.965 9 H MET 2 HN MET 2 6.542 16.816 -13.208 10 HA MET 2 HA MET 2 4.628 17.082 -11.011 11 HB2 MET 2 HB2 MET 2 6.945 15.083 -11.190 12 HB3 MET 2 HB1 MET 2 6.135 15.540 -9.651 13 HG2 MET 2 HG2 MET 2 3.973 14.679 -10.490 14 HG3 MET 2 HG1 MET 2 4.712 14.286 -12.075 15 HE1 MET 2 HE1 MET 2 3.838 10.833 -10.518 16 HE2 MET 2 HE2 MET 2 3.577 12.022 -11.841 17 HE3 MET 2 HE3 MET 2 2.979 12.376 -10.184 18 H ARG 3 HN ARG 3 5.636 17.823 -9.016 19 HA ARG 3 HA ARG 3 7.980 19.382 -9.661 20 HB2 ARG 3 HB2 ARG 3 5.991 20.803 -9.221 21 HB3 ARG 3 HB1 ARG 3 5.760 19.923 -7.671 22 HG2 ARG 3 HG2 ARG 3 7.854 20.806 -6.770 23 HG3 ARG 3 HG1 ARG 3 8.285 21.546 -8.354 24 HD2 ARG 3 HD2 ARG 3 6.305 23.076 -8.188 25 HD3 ARG 3 HD1 ARG 3 5.864 22.336 -6.589 26 HE ARG 3 HE ARG 3 8.124 24.189 -7.124 27 HH11 ARG 3 HH11 ARG 3 6.622 21.778 -4.968 28 HH12 ARG 3 HH12 ARG 3 7.450 22.311 -3.545 29 HH21 ARG 3 HH21 ARG 3 9.245 24.911 -5.187 30 HH22 ARG 3 HH22 ARG 3 8.965 24.122 -3.672 31 H LEU 4 HN LEU 4 6.216 17.890 -7.023 32 HA LEU 4 HA LEU 4 8.468 17.748 -5.355 33 HB2 LEU 4 HB2 LEU 4 6.250 15.709 -5.162 34 HB3 LEU 4 HB1 LEU 4 7.032 16.645 -3.830 35 HG LEU 4 HG LEU 4 5.792 18.713 -4.899 36 HD11 LEU 4 HD11 LEU 4 4.773 16.526 -6.598 37 HD12 LEU 4 HD12 LEU 4 4.484 18.307 -6.725 38 HD13 LEU 4 HD13 LEU 4 3.420 17.290 -5.679 39 HD21 LEU 4 HD21 LEU 4 5.240 17.985 -2.674 40 HD22 LEU 4 HD22 LEU 4 4.473 16.462 -3.270 41 HD23 LEU 4 HD23 LEU 4 3.669 18.054 -3.561 42 H SER 5 HN SER 5 6.933 15.793 -7.854 43 HA SER 5 HA SER 5 7.493 13.901 -8.838 44 HB2 SER 5 HB2 SER 5 10.331 14.644 -7.907 45 HB3 SER 5 HB1 SER 5 9.976 13.245 -9.000 46 HG SER 5 HG SER 5 9.720 16.008 -9.432 47 H ORN 6 HN ORN 6 10.240 12.974 -6.856 48 HA ORN 6 HA ORN 6 8.461 11.068 -5.497 49 HB2 ORN 6 HB1 ORN 6 11.509 10.848 -5.705 50 HB3 ORN 6 HB2 ORN 6 10.450 10.225 -7.016 51 HG2 ORN 6 HG1 ORN 6 9.762 8.408 -5.789 52 HG3 ORN 6 HG2 ORN 6 9.675 9.332 -4.252 53 HD2 ORN 6 HD2 ORN 6 11.729 7.477 -5.102 54 HD3 ORN 6 HD1 ORN 6 12.490 9.117 -5.074 55 H PHE 7 HN PHE 7 9.402 14.022 -5.010 56 HA PHE 7 HA PHE 7 10.797 15.054 -3.496 57 HB2 PHE 7 HB2 PHE 7 8.978 15.401 -1.585 58 HB3 PHE 7 HB1 PHE 7 8.723 16.051 -3.205 59 HD1 PHE 7 HD1 PHE 7 7.108 14.701 -0.570 60 HD2 PHE 7 HD2 PHE 7 7.579 14.063 -4.745 61 HE1 PHE 7 HE1 PHE 7 4.902 13.754 -0.709 62 HE2 PHE 7 HE2 PHE 7 5.380 13.093 -4.839 63 HZ PHE 7 HZ PHE 7 4.038 12.951 -2.794 64 H PHE 8 HN PHE 8 8.995 13.780 -0.908 65 HA PHE 8 HA PHE 8 11.335 12.268 -0.074 66 HB2 PHE 8 HB2 PHE 8 9.961 13.452 2.238 67 HB3 PHE 8 HB1 PHE 8 11.679 13.737 1.707 68 HD1 PHE 8 HD1 PHE 8 8.240 14.683 1.402 69 HD2 PHE 8 HD2 PHE 8 12.233 15.487 0.328 70 HE1 PHE 8 HE1 PHE 8 7.527 16.677 0.244 71 HE2 PHE 8 HE2 PHE 8 11.517 17.504 -0.792 72 HZ PHE 8 HZ PHE 8 9.135 18.010 -0.859 73 H ARG 9 HN ARG 9 8.322 12.072 -1.151 74 HA ARG 9 HA ARG 9 6.848 10.813 0.824 75 HB2 ARG 9 HB2 ARG 9 5.506 9.752 -0.982 76 HB3 ARG 9 HB1 ARG 9 5.782 11.491 -1.300 77 HG2 ARG 9 HG2 ARG 9 7.634 10.926 -2.878 78 HG3 ARG 9 HG1 ARG 9 7.385 9.178 -2.550 79 HD2 ARG 9 HD2 ARG 9 5.177 11.026 -3.697 80 HD3 ARG 9 HD1 ARG 9 6.282 9.997 -4.712 81 HE ARG 9 HE ARG 9 5.137 8.301 -2.719 82 HH11 ARG 9 HH11 ARG 9 4.164 10.333 -5.477 83 HH12 ARG 9 HH12 ARG 9 2.789 9.371 -5.902 84 HH21 ARG 9 HH21 ARG 9 3.264 6.987 -3.296 85 HH22 ARG 9 HH22 ARG 9 2.269 7.435 -4.640 86 H ASN 10 HN ASN 10 9.683 9.672 -0.906 87 HA ASN 10 HA ASN 10 9.126 6.932 -0.688 88 HB2 ASN 10 HB2 ASN 10 11.786 8.475 -0.687 89 HB3 ASN 10 HB1 ASN 10 11.705 6.676 -0.619 90 HD21 ASN 10 HD21 ASN 10 12.203 9.218 -2.721 91 H PHE 11 HN PHE 11 10.066 9.470 1.591 92 HA PHE 11 HA PHE 11 10.425 7.431 3.660 93 HB2 PHE 11 HB2 PHE 11 10.858 10.489 3.765 94 HB3 PHE 11 HB1 PHE 11 11.149 9.348 5.133 95 HD1 PHE 11 HD1 PHE 11 12.431 10.743 2.034 96 HD2 PHE 11 HD2 PHE 11 12.999 7.741 4.990 97 HE1 PHE 11 HE1 PHE 11 14.740 10.431 1.275 98 HE2 PHE 11 HE2 PHE 11 15.308 7.432 4.229 99 HZ PHE 11 HZ PHE 11 16.180 8.775 2.370 100 H ILE 12 HN ILE 12 8.821 10.739 3.309 101 HA ILE 12 HA ILE 12 6.306 9.769 3.686 102 HB ILE 12 HB ILE 12 6.022 11.233 5.885 103 HG12 ILE 12 HG12 ILE 12 7.751 10.653 7.557 104 HG13 ILE 12 HG11 ILE 12 8.761 9.919 6.271 105 HG21 ILE 12 HG21 ILE 12 5.575 8.635 5.181 106 HG22 ILE 12 HG22 ILE 12 5.333 9.245 6.858 107 HG23 ILE 12 HG23 ILE 12 6.849 8.372 6.430 108 HD11 ILE 12 HD11 ILE 12 7.836 12.827 6.003 109 HD12 ILE 12 HD12 ILE 12 9.299 12.027 5.313 110 HD13 ILE 12 HD13 ILE 12 9.230 12.419 7.073 111 H LEU 13 HN LEU 13 4.835 11.376 3.970 112 HA LEU 13 HA LEU 13 5.108 14.002 3.997 113 HB2 LEU 13 HB2 LEU 13 6.499 13.288 1.686 114 HB3 LEU 13 HB1 LEU 13 4.848 13.655 1.075 115 HG LEU 13 HG LEU 13 6.313 15.653 1.115 116 HD11 LEU 13 HD11 LEU 13 4.728 17.193 2.300 117 HD12 LEU 13 HD12 LEU 13 3.951 15.762 3.080 118 HD13 LEU 13 HD13 LEU 13 3.876 15.965 1.288 119 HD21 LEU 13 HD21 LEU 13 7.045 14.625 3.720 120 HD22 LEU 13 HD22 LEU 13 6.290 16.246 3.965 121 HD23 LEU 13 HD23 LEU 13 7.704 16.075 2.864 122 H GLN 14 HN GLN 14 3.385 12.251 4.895 123 HA GLN 14 HA GLN 14 1.041 12.663 3.175 124 HB2 GLN 14 HB2 GLN 14 0.122 10.533 3.805 125 HB3 GLN 14 HB1 GLN 14 1.829 10.208 3.344 126 HG2 GLN 14 HG2 GLN 14 2.459 10.330 5.826 127 HG3 GLN 14 HG1 GLN 14 0.692 10.426 6.208 128 HE21 GLN 14 HE21 GLN 14 -0.431 8.530 6.386 129 HE22 GLN 14 HE22 GLN 14 0.119 6.983 5.840 130 H ARG 15 HN ARG 15 2.591 13.706 5.897 131 HA ARG 15 HA ARG 15 0.056 13.974 7.319 132 HB2 ARG 15 HB2 ARG 15 2.637 14.393 8.822 133 HB3 ARG 15 HB1 ARG 15 1.057 13.780 9.422 134 HG2 ARG 15 HG2 ARG 15 2.440 11.892 9.540 135 HG3 ARG 15 HG1 ARG 15 1.585 11.655 7.975 136 HD2 ARG 15 HD2 ARG 15 3.499 12.197 6.684 137 HD3 ARG 15 HD1 ARG 15 4.285 13.118 8.033 138 HE ARG 15 HE ARG 15 4.314 10.175 7.649 139 HH11 ARG 15 HH11 ARG 15 4.757 12.941 9.857 140 HH12 ARG 15 HH12 ARG 15 5.788 12.090 10.959 141 HH21 ARG 15 HH21 ARG 15 5.713 9.025 9.150 142 HH22 ARG 15 HH22 ARG 15 6.340 9.830 10.549 143 H LYS 16 HN LYS 16 1.522 15.873 9.201 144 HA LYS 16 HA LYS 16 0.983 18.244 7.795 145 HB2 LYS 16 HB2 LYS 16 2.047 19.389 9.738 146 HB3 LYS 16 HB1 LYS 16 0.892 18.131 10.293 147 HG2 LYS 16 HG2 LYS 16 2.820 16.547 10.600 148 HG3 LYS 16 HG1 LYS 16 3.944 17.864 10.116 149 HD2 LYS 16 HD2 LYS 16 3.190 19.243 12.034 150 HD3 LYS 16 HD1 LYS 16 2.001 17.973 12.501 151 HE2 LYS 16 HE2 LYS 16 3.861 16.352 12.856 152 HE3 LYS 16 HE1 LYS 16 5.062 17.626 12.390 153 HZ1 LYS 16 HZ1 LYS 16 4.812 18.668 14.332 154 HZ2 LYS 16 HZ2 LYS 16 4.285 17.148 14.876 155 HZ3 LYS 16 HZ3 LYS 16 3.151 18.344 14.465 156 H LYS 17 HN LYS 17 3.529 16.023 7.751 157 HA LYS 17 HA LYS 17 5.754 17.638 7.464 158 HB2 LYS 17 HB2 LYS 17 5.001 14.900 6.309 159 HB3 LYS 17 HB1 LYS 17 6.555 15.688 5.863 160 HG2 LYS 17 HG2 LYS 17 5.662 14.984 8.724 161 HG3 LYS 17 HG1 LYS 17 6.832 14.052 7.728 162 HD2 LYS 17 HD2 LYS 17 8.321 15.322 8.969 163 HD3 LYS 17 HD1 LYS 17 8.080 16.442 7.584 164 HE2 LYS 17 HE2 LYS 17 7.062 18.033 8.899 165 HE3 LYS 17 HE1 LYS 17 6.063 16.808 9.788 166 HZ1 LYS 17 HZ1 LYS 17 8.888 17.594 10.275 167 HZ2 LYS 17 HZ2 LYS 17 8.175 16.216 10.967 168 HZ3 LYS 17 HZ3 LYS 17 7.548 17.758 11.303 Start of MODEL 14 1 H1 GLU 1 HT1 GLU 1 5.032 15.140 -16.477 2 H2 GLU 1 HT2 GLU 1 5.536 14.821 -14.887 3 H3 GLU 1 HT3 GLU 1 5.951 16.291 -15.631 4 HA GLU 1 HA GLU 1 3.917 17.187 -15.404 5 HB2 GLU 1 HB2 GLU 1 1.811 15.867 -15.144 6 HB3 GLU 1 HB1 GLU 1 2.716 15.384 -16.621 7 HG2 GLU 1 HG2 GLU 1 3.684 13.405 -15.366 8 HG3 GLU 1 HG1 GLU 1 2.700 13.868 -13.922 9 H MET 2 HN MET 2 6.021 16.232 -13.409 10 HA MET 2 HA MET 2 4.288 16.560 -11.073 11 HB2 MET 2 HB2 MET 2 6.665 14.641 -11.326 12 HB3 MET 2 HB1 MET 2 5.958 15.160 -9.756 13 HG2 MET 2 HG2 MET 2 3.715 14.238 -10.548 14 HG3 MET 2 HG1 MET 2 4.553 13.571 -11.986 15 HE1 MET 2 HE1 MET 2 6.661 10.745 -10.992 16 HE2 MET 2 HE2 MET 2 7.405 12.377 -10.900 17 HE3 MET 2 HE3 MET 2 6.170 12.024 -12.157 18 H ARG 3 HN ARG 3 5.366 17.518 -9.247 19 HA ARG 3 HA ARG 3 7.645 19.057 -10.135 20 HB2 ARG 3 HB2 ARG 3 5.671 20.499 -9.749 21 HB3 ARG 3 HB1 ARG 3 5.471 19.735 -8.134 22 HG2 ARG 3 HG2 ARG 3 7.535 20.712 -7.311 23 HG3 ARG 3 HG1 ARG 3 7.997 21.287 -8.953 24 HD2 ARG 3 HD2 ARG 3 6.106 22.893 -8.971 25 HD3 ARG 3 HD1 ARG 3 5.523 22.264 -7.366 26 HE ARG 3 HE ARG 3 8.232 23.008 -6.982 27 HH11 ARG 3 HH11 ARG 3 5.163 24.504 -7.997 28 HH12 ARG 3 HH12 ARG 3 5.543 26.074 -7.373 29 HH21 ARG 3 HH21 ARG 3 8.750 25.142 -6.133 30 HH22 ARG 3 HH22 ARG 3 7.618 26.443 -6.295 31 H LEU 4 HN LEU 4 6.005 17.718 -7.344 32 HA LEU 4 HA LEU 4 8.275 17.805 -5.710 33 HB2 LEU 4 HB2 LEU 4 6.163 15.676 -5.354 34 HB3 LEU 4 HB1 LEU 4 6.925 16.722 -4.093 35 HG LEU 4 HG LEU 4 5.573 18.668 -5.243 36 HD11 LEU 4 HD11 LEU 4 3.257 17.103 -5.914 37 HD12 LEU 4 HD12 LEU 4 4.628 16.355 -6.816 38 HD13 LEU 4 HD13 LEU 4 4.260 18.114 -7.026 39 HD21 LEU 4 HD21 LEU 4 4.319 16.442 -3.517 40 HD22 LEU 4 HD22 LEU 4 3.525 18.038 -3.824 41 HD23 LEU 4 HD23 LEU 4 5.113 17.969 -2.965 42 H SER 5 HN SER 5 6.837 15.599 -8.052 43 HA SER 5 HA SER 5 7.523 13.689 -8.916 44 HB2 SER 5 HB2 SER 5 9.612 15.084 -9.478 45 HB3 SER 5 HB1 SER 5 10.378 14.388 -8.000 46 HG SER 5 HG SER 5 10.668 13.342 -10.161 47 H ORN 6 HN ORN 6 10.348 12.924 -7.048 48 HA ORN 6 HA ORN 6 8.679 11.123 -5.436 49 HB2 ORN 6 HB1 ORN 6 11.711 10.889 -5.736 50 HB3 ORN 6 HB2 ORN 6 10.636 10.248 -7.025 51 HG2 ORN 6 HG1 ORN 6 9.996 8.443 -5.774 52 HG3 ORN 6 HG2 ORN 6 9.824 9.411 -4.271 53 HD2 ORN 6 HD2 ORN 6 11.938 7.567 -4.958 54 HD3 ORN 6 HD1 ORN 6 12.676 9.218 -4.981 55 H PHE 7 HN PHE 7 9.332 14.070 -5.076 56 HA PHE 7 HA PHE 7 10.900 15.211 -3.685 57 HB2 PHE 7 HB2 PHE 7 9.039 15.802 -1.908 58 HB3 PHE 7 HB1 PHE 7 8.767 16.193 -3.617 59 HD1 PHE 7 HD1 PHE 7 7.344 14.997 -0.774 60 HD2 PHE 7 HD2 PHE 7 7.567 14.150 -4.894 61 HE1 PHE 7 HE1 PHE 7 5.193 13.935 -0.661 62 HE2 PHE 7 HE2 PHE 7 5.397 13.085 -4.788 63 HZ PHE 7 HZ PHE 7 4.213 12.993 -2.637 64 H PHE 8 HN PHE 8 8.980 14.211 -1.060 65 HA PHE 8 HA PHE 8 11.272 12.795 0.050 66 HB2 PHE 8 HB2 PHE 8 9.589 14.051 2.131 67 HB3 PHE 8 HB1 PHE 8 11.354 14.345 1.806 68 HD1 PHE 8 HD1 PHE 8 8.024 15.446 1.339 69 HD2 PHE 8 HD2 PHE 8 12.011 15.840 0.069 70 HE1 PHE 8 HE1 PHE 8 7.379 17.297 -0.018 71 HE2 PHE 8 HE2 PHE 8 11.380 17.755 -1.254 72 HZ PHE 8 HZ PHE 8 9.037 18.408 -1.321 73 H ARG 9 HN ARG 9 8.589 12.405 -1.400 74 HA ARG 9 HA ARG 9 6.708 11.208 0.204 75 HB2 ARG 9 HB2 ARG 9 6.603 11.731 -2.342 76 HB3 ARG 9 HB1 ARG 9 7.481 10.195 -2.580 77 HG2 ARG 9 HG2 ARG 9 5.669 8.901 -1.603 78 HG3 ARG 9 HG1 ARG 9 4.820 10.389 -1.058 79 HD2 ARG 9 HD2 ARG 9 3.684 9.582 -3.087 80 HD3 ARG 9 HD1 ARG 9 4.628 11.066 -3.563 81 HE ARG 9 HE ARG 9 6.294 8.739 -3.929 82 HH11 ARG 9 HH11 ARG 9 3.366 10.322 -5.195 83 HH12 ARG 9 HH12 ARG 9 3.561 9.739 -6.813 84 HH21 ARG 9 HH21 ARG 9 6.563 7.944 -6.130 85 HH22 ARG 9 HH22 ARG 9 5.412 8.363 -7.354 86 H ASN 10 HN ASN 10 9.789 9.911 -1.116 87 HA ASN 10 HA ASN 10 9.212 7.228 -0.652 88 HB2 ASN 10 HB2 ASN 10 11.879 8.751 -0.598 89 HB3 ASN 10 HB1 ASN 10 11.768 6.961 -0.417 90 HD21 ASN 10 HD21 ASN 10 12.223 9.478 -2.652 91 H PHE 11 HN PHE 11 10.002 9.907 1.547 92 HA PHE 11 HA PHE 11 10.425 7.982 3.689 93 HB2 PHE 11 HB2 PHE 11 10.428 11.068 3.715 94 HB3 PHE 11 HB1 PHE 11 10.751 10.025 5.153 95 HD1 PHE 11 HD1 PHE 11 12.084 11.436 2.076 96 HD2 PHE 11 HD2 PHE 11 12.796 8.685 5.239 97 HE1 PHE 11 HE1 PHE 11 14.467 11.392 1.505 98 HE2 PHE 11 HE2 PHE 11 15.178 8.644 4.664 99 HZ PHE 11 HZ PHE 11 16.016 9.997 2.797 100 H ILE 12 HN ILE 12 8.397 11.016 3.263 101 HA ILE 12 HA ILE 12 5.993 9.675 3.557 102 HB ILE 12 HB ILE 12 5.571 11.179 5.810 103 HG12 ILE 12 HG12 ILE 12 7.265 10.333 7.502 104 HG13 ILE 12 HG11 ILE 12 8.329 9.851 6.139 105 HG21 ILE 12 HG21 ILE 12 4.749 8.858 5.170 106 HG22 ILE 12 HG22 ILE 12 5.177 9.041 6.912 107 HG23 ILE 12 HG23 ILE 12 6.302 8.187 5.795 108 HD11 ILE 12 HD11 ILE 12 8.786 12.171 7.244 109 HD12 ILE 12 HD12 ILE 12 7.276 12.735 6.437 110 HD13 ILE 12 HD13 ILE 12 8.665 12.149 5.445 111 H LEU 13 HN LEU 13 8.002 12.512 3.842 112 HA LEU 13 HA LEU 13 7.812 14.425 2.844 113 HB2 LEU 13 HB2 LEU 13 6.508 14.488 0.980 114 HB3 LEU 13 HB1 LEU 13 5.563 13.093 1.591 115 HG LEU 13 HG LEU 13 4.854 15.727 2.848 116 HD11 LEU 13 HD11 LEU 13 3.988 16.862 1.026 117 HD12 LEU 13 HD12 LEU 13 3.839 15.376 0.016 118 HD13 LEU 13 HD13 LEU 13 5.462 16.132 0.276 119 HD21 LEU 13 HD21 LEU 13 3.626 13.635 3.286 120 HD22 LEU 13 HD22 LEU 13 3.260 13.454 1.529 121 HD23 LEU 13 HD23 LEU 13 2.556 14.835 2.461 122 H GLN 14 HN GLN 14 5.633 13.160 5.232 123 HA GLN 14 HA GLN 14 5.006 14.021 7.156 124 HB2 GLN 14 HB2 GLN 14 7.305 15.492 6.710 125 HB3 GLN 14 HB1 GLN 14 6.077 16.802 6.778 126 HG2 GLN 14 HG2 GLN 14 5.341 16.096 9.011 127 HG3 GLN 14 HG1 GLN 14 6.372 14.609 8.925 128 HE21 GLN 14 HE21 GLN 14 8.438 14.749 9.722 129 HE22 GLN 14 HE22 GLN 14 9.287 16.219 10.058 130 H ARG 15 HN ARG 15 4.304 16.874 7.659 131 HA ARG 15 HA ARG 15 2.674 18.291 7.324 132 HB2 ARG 15 HB2 ARG 15 2.714 17.153 4.513 133 HB3 ARG 15 HB1 ARG 15 1.345 18.201 5.021 134 HG2 ARG 15 HG2 ARG 15 2.932 19.659 3.987 135 HG3 ARG 15 HG1 ARG 15 3.084 19.942 5.756 136 HD2 ARG 15 HD2 ARG 15 4.935 17.785 5.030 137 HD3 ARG 15 HD1 ARG 15 5.180 19.174 3.885 138 HE ARG 15 HE ARG 15 5.661 19.181 6.819 139 HH11 ARG 15 HH11 ARG 15 5.152 21.047 3.819 140 HH12 ARG 15 HH12 ARG 15 5.948 22.474 4.392 141 HH21 ARG 15 HH21 ARG 15 6.743 21.122 7.590 142 HH22 ARG 15 HH22 ARG 15 6.867 22.517 6.572 143 H LYS 16 HN LYS 16 1.270 15.710 5.317 144 HA LYS 16 HA LYS 16 -1.109 15.720 6.783 145 HB2 LYS 16 HB2 LYS 16 -0.937 14.834 4.436 146 HB3 LYS 16 HB1 LYS 16 0.119 13.515 5.044 147 HG2 LYS 16 HG2 LYS 16 -1.726 12.591 6.396 148 HG3 LYS 16 HG1 LYS 16 -2.790 13.971 5.944 149 HD2 LYS 16 HD2 LYS 16 -3.341 11.997 4.575 150 HD3 LYS 16 HD1 LYS 16 -2.644 13.291 3.537 151 HE2 LYS 16 HE2 LYS 16 -0.423 12.145 3.554 152 HE3 LYS 16 HE1 LYS 16 -1.086 10.857 4.648 153 HZ1 LYS 16 HZ1 LYS 16 -1.161 10.965 1.885 154 HZ2 LYS 16 HZ2 LYS 16 -2.763 11.197 2.397 155 HZ3 LYS 16 HZ3 LYS 16 -1.897 9.830 2.910 156 H LYS 17 HN LYS 17 1.961 14.037 6.996 157 HA LYS 17 HA LYS 17 0.987 12.141 8.921 158 HB2 LYS 17 HB2 LYS 17 3.622 12.765 7.575 159 HB3 LYS 17 HB1 LYS 17 3.706 11.990 9.195 160 HG2 LYS 17 HG2 LYS 17 3.722 10.149 7.753 161 HG3 LYS 17 HG1 LYS 17 1.987 10.266 8.215 162 HD2 LYS 17 HD2 LYS 17 1.924 11.849 6.000 163 HD3 LYS 17 HD1 LYS 17 3.338 10.835 5.560 164 HE2 LYS 17 HE2 LYS 17 0.544 9.761 6.349 165 HE3 LYS 17 HE1 LYS 17 1.209 9.866 4.665 166 HZ1 LYS 17 HZ1 LYS 17 1.459 7.788 6.404 167 HZ2 LYS 17 HZ2 LYS 17 2.981 8.539 6.478 168 HZ3 LYS 17 HZ3 LYS 17 2.355 8.035 4.982 Start of MODEL 15 1 H1 GLU 1 HT1 GLU 1 6.213 13.758 -17.319 2 H2 GLU 1 HT2 GLU 1 5.153 13.406 -16.038 3 H3 GLU 1 HT3 GLU 1 6.831 13.443 -15.769 4 HA GLU 1 HA GLU 1 6.956 15.731 -16.034 5 HB2 GLU 1 HB2 GLU 1 5.369 15.817 -18.003 6 HB3 GLU 1 HB1 GLU 1 3.996 15.613 -16.860 7 HG2 GLU 1 HG2 GLU 1 4.556 17.787 -15.751 8 HG3 GLU 1 HG1 GLU 1 5.978 17.992 -16.848 9 H MET 2 HN MET 2 7.324 15.619 -13.765 10 HA MET 2 HA MET 2 4.885 16.110 -12.219 11 HB2 MET 2 HB2 MET 2 7.236 14.321 -11.399 12 HB3 MET 2 HB1 MET 2 5.972 14.920 -10.271 13 HG2 MET 2 HG2 MET 2 4.217 13.715 -11.531 14 HG3 MET 2 HG1 MET 2 5.416 13.185 -12.752 15 HE1 MET 2 HE1 MET 2 4.312 11.828 -8.635 16 HE2 MET 2 HE2 MET 2 4.302 13.483 -9.335 17 HE3 MET 2 HE3 MET 2 5.742 12.898 -8.432 18 H ARG 3 HN ARG 3 5.288 17.277 -10.226 19 HA ARG 3 HA ARG 3 7.580 18.976 -10.607 20 HB2 ARG 3 HB2 ARG 3 5.411 20.164 -10.572 21 HB3 ARG 3 HB1 ARG 3 5.017 19.334 -9.028 22 HG2 ARG 3 HG2 ARG 3 5.703 21.662 -8.590 23 HG3 ARG 3 HG1 ARG 3 6.892 20.512 -7.889 24 HD2 ARG 3 HD2 ARG 3 8.451 20.904 -9.806 25 HD3 ARG 3 HD1 ARG 3 7.233 22.014 -10.581 26 HE ARG 3 HE ARG 3 7.634 23.013 -7.965 27 HH11 ARG 3 HH11 ARG 3 9.572 22.291 -10.866 28 HH12 ARG 3 HH12 ARG 3 10.731 23.549 -10.594 29 HH21 ARG 3 HH21 ARG 3 9.212 24.725 -7.594 30 HH22 ARG 3 HH22 ARG 3 10.522 24.955 -8.702 31 H LEU 4 HN LEU 4 5.679 17.399 -8.116 32 HA LEU 4 HA LEU 4 7.628 17.721 -6.131 33 HB2 LEU 4 HB2 LEU 4 5.773 15.342 -6.129 34 HB3 LEU 4 HB1 LEU 4 6.194 16.447 -4.762 35 HG LEU 4 HG LEU 4 4.807 18.239 -6.084 36 HD11 LEU 4 HD11 LEU 4 3.878 17.594 -8.065 37 HD12 LEU 4 HD12 LEU 4 2.829 16.451 -7.140 38 HD13 LEU 4 HD13 LEU 4 4.401 15.880 -7.815 39 HD21 LEU 4 HD21 LEU 4 2.648 17.295 -5.030 40 HD22 LEU 4 HD22 LEU 4 4.070 17.440 -3.926 41 HD23 LEU 4 HD23 LEU 4 3.606 15.826 -4.594 42 H SER 5 HN SER 5 6.875 15.397 -8.676 43 HA SER 5 HA SER 5 7.859 13.474 -9.267 44 HB2 SER 5 HB2 SER 5 9.489 15.259 -10.128 45 HB3 SER 5 HB1 SER 5 10.477 14.976 -8.644 46 HG SER 5 HG SER 5 10.913 13.776 -10.716 47 H ORN 6 HN ORN 6 10.878 13.667 -7.574 48 HA ORN 6 HA ORN 6 9.863 11.683 -5.679 49 HB2 ORN 6 HB1 ORN 6 12.745 12.433 -6.481 50 HB3 ORN 6 HB2 ORN 6 11.867 10.962 -7.020 51 HG2 ORN 6 HG1 ORN 6 12.621 11.622 -4.099 52 HG3 ORN 6 HG2 ORN 6 13.528 10.518 -5.183 53 HD2 ORN 6 HD2 ORN 6 10.594 9.877 -4.936 54 HD3 ORN 6 HD1 ORN 6 12.036 8.787 -4.901 55 H PHE 7 HN PHE 7 8.769 13.797 -4.808 56 HA PHE 7 HA PHE 7 10.350 15.645 -3.572 57 HB2 PHE 7 HB2 PHE 7 8.107 16.068 -2.274 58 HB3 PHE 7 HB1 PHE 7 8.120 16.323 -4.031 59 HD1 PHE 7 HD1 PHE 7 6.339 15.130 -1.417 60 HD2 PHE 7 HD2 PHE 7 7.402 14.062 -5.349 61 HE1 PHE 7 HE1 PHE 7 4.322 13.864 -1.605 62 HE2 PHE 7 HE2 PHE 7 5.368 12.755 -5.534 63 HZ PHE 7 HZ PHE 7 3.827 12.677 -3.627 64 H PHE 8 HN PHE 8 8.144 14.658 -1.197 65 HA PHE 8 HA PHE 8 10.361 13.476 0.292 66 HB2 PHE 8 HB2 PHE 8 8.217 14.518 2.013 67 HB3 PHE 8 HB1 PHE 8 9.941 15.084 1.925 68 HD1 PHE 8 HD1 PHE 8 6.577 15.549 0.820 69 HD2 PHE 8 HD2 PHE 8 10.608 16.665 0.320 70 HE1 PHE 8 HE1 PHE 8 5.896 17.240 -0.720 71 HE2 PHE 8 HE2 PHE 8 9.913 18.414 -1.189 72 HZ PHE 8 HZ PHE 8 7.549 18.616 -1.729 73 H ARG 9 HN ARG 9 7.810 12.691 -1.471 74 HA ARG 9 HA ARG 9 6.079 11.219 0.096 75 HB2 ARG 9 HB2 ARG 9 5.940 11.728 -2.443 76 HB3 ARG 9 HB1 ARG 9 7.039 10.343 -2.672 77 HG2 ARG 9 HG2 ARG 9 5.406 8.817 -1.632 78 HG3 ARG 9 HG1 ARG 9 4.313 10.194 -1.259 79 HD2 ARG 9 HD2 ARG 9 4.071 10.658 -3.745 80 HD3 ARG 9 HD1 ARG 9 5.106 9.202 -4.088 81 HE ARG 9 HE ARG 9 2.303 9.193 -3.118 82 HH11 ARG 9 HH11 ARG 9 5.380 7.423 -3.482 83 HH12 ARG 9 HH12 ARG 9 4.657 5.850 -3.404 84 HH21 ARG 9 HH21 ARG 9 1.330 7.056 -3.012 85 HH22 ARG 9 HH22 ARG 9 2.319 5.639 -3.133 86 H ASN 10 HN ASN 10 9.354 10.446 -1.108 87 HA ASN 10 HA ASN 10 9.194 7.694 -0.700 88 HB2 ASN 10 HB2 ASN 10 11.596 9.607 -0.517 89 HB3 ASN 10 HB1 ASN 10 11.738 7.810 -0.463 90 HD21 ASN 10 HD21 ASN 10 11.944 10.481 -2.505 91 H PHE 11 HN PHE 11 9.375 10.419 1.543 92 HA PHE 11 HA PHE 11 10.049 8.550 3.688 93 HB2 PHE 11 HB2 PHE 11 9.689 11.615 3.738 94 HB3 PHE 11 HB1 PHE 11 10.128 10.598 5.164 95 HD1 PHE 11 HD1 PHE 11 11.299 12.216 2.126 96 HD2 PHE 11 HD2 PHE 11 12.322 9.513 5.245 97 HE1 PHE 11 HE1 PHE 11 13.673 12.480 1.578 98 HE2 PHE 11 HE2 PHE 11 14.696 9.780 4.693 99 HZ PHE 11 HZ PHE 11 15.373 11.262 2.860 100 H ILE 12 HN ILE 12 7.684 11.297 3.087 101 HA ILE 12 HA ILE 12 5.495 9.599 3.579 102 HB ILE 12 HB ILE 12 4.924 11.591 5.483 103 HG12 ILE 12 HG12 ILE 12 6.674 10.889 7.288 104 HG13 ILE 12 HG11 ILE 12 7.722 10.408 5.922 105 HG21 ILE 12 HG21 ILE 12 5.314 8.571 5.435 106 HG22 ILE 12 HG22 ILE 12 3.822 9.549 5.723 107 HG23 ILE 12 HG23 ILE 12 5.065 9.394 7.023 108 HD11 ILE 12 HD11 ILE 12 6.444 13.189 5.898 109 HD12 ILE 12 HD12 ILE 12 7.990 12.628 5.151 110 HD13 ILE 12 HD13 ILE 12 7.889 12.875 6.935 111 H LEU 13 HN LEU 13 6.761 12.915 3.714 112 HA LEU 13 HA LEU 13 6.346 14.562 2.321 113 HB2 LEU 13 HB2 LEU 13 5.514 14.044 0.260 114 HB3 LEU 13 HB1 LEU 13 4.838 12.519 0.919 115 HG LEU 13 HG LEU 13 3.070 13.684 -0.161 116 HD11 LEU 13 HD11 LEU 13 2.080 14.630 2.460 117 HD12 LEU 13 HD12 LEU 13 2.823 12.988 2.547 118 HD13 LEU 13 HD13 LEU 13 1.481 13.311 1.386 119 HD21 LEU 13 HD21 LEU 13 2.978 16.221 1.387 120 HD22 LEU 13 HD22 LEU 13 2.862 15.925 -0.389 121 HD23 LEU 13 HD23 LEU 13 4.483 16.034 0.401 122 H GLN 14 HN GLN 14 4.131 13.091 4.533 123 HA GLN 14 HA GLN 14 2.413 15.375 4.580 124 HB2 GLN 14 HB2 GLN 14 2.485 12.710 5.829 125 HB3 GLN 14 HB1 GLN 14 2.100 13.981 7.033 126 HG2 GLN 14 HG2 GLN 14 0.629 14.193 4.402 127 HG3 GLN 14 HG1 GLN 14 0.204 12.773 5.446 128 HE21 GLN 14 HE21 GLN 14 -1.927 13.880 5.693 129 HE22 GLN 14 HE22 GLN 14 -2.100 15.131 6.877 130 H ARG 15 HN ARG 15 2.010 16.274 7.030 131 HA ARG 15 HA ARG 15 4.687 17.140 7.823 132 HB2 ARG 15 HB2 ARG 15 1.995 18.553 7.765 133 HB3 ARG 15 HB1 ARG 15 3.239 19.069 8.956 134 HG2 ARG 15 HG2 ARG 15 3.384 20.491 6.967 135 HG3 ARG 15 HG1 ARG 15 4.861 19.481 7.094 136 HD2 ARG 15 HD2 ARG 15 3.894 19.685 4.709 137 HD3 ARG 15 HD1 ARG 15 4.067 17.974 5.291 138 HE ARG 15 HE ARG 15 1.701 17.782 5.320 139 HH11 ARG 15 HH11 ARG 15 2.718 21.183 4.937 140 HH12 ARG 15 HH12 ARG 15 1.133 21.774 4.564 141 HH21 ARG 15 HH21 ARG 15 -0.450 18.594 4.812 142 HH22 ARG 15 HH22 ARG 15 -0.696 20.277 4.492 143 H LYS 16 HN LYS 16 1.759 15.536 8.741 144 HA LYS 16 HA LYS 16 2.837 15.376 11.471 145 HB2 LYS 16 HB2 LYS 16 0.418 14.864 12.151 146 HB3 LYS 16 HB1 LYS 16 0.765 16.573 11.720 147 HG2 LYS 16 HG2 LYS 16 -0.551 16.524 9.847 148 HG3 LYS 16 HG1 LYS 16 -0.042 14.855 9.410 149 HD2 LYS 16 HD2 LYS 16 -1.911 15.391 11.783 150 HD3 LYS 16 HD1 LYS 16 -2.537 15.259 10.101 151 HE2 LYS 16 HE2 LYS 16 -1.561 12.971 9.890 152 HE3 LYS 16 HE1 LYS 16 -0.863 13.098 11.559 153 HZ1 LYS 16 HZ1 LYS 16 -2.827 12.690 12.460 154 HZ2 LYS 16 HZ2 LYS 16 -3.272 12.091 10.934 155 HZ3 LYS 16 HZ3 LYS 16 -3.691 13.675 11.380 156 H LYS 17 HN LYS 17 2.110 13.911 8.555 157 HA LYS 17 HA LYS 17 1.468 11.815 7.931 158 HB2 LYS 17 HB2 LYS 17 3.328 10.132 8.532 159 HB3 LYS 17 HB1 LYS 17 3.847 11.639 7.699 160 HG2 LYS 17 HG2 LYS 17 3.833 11.958 10.651 161 HG3 LYS 17 HG1 LYS 17 4.849 10.576 10.136 162 HD2 LYS 17 HD2 LYS 17 6.048 12.824 10.333 163 HD3 LYS 17 HD1 LYS 17 6.255 11.967 8.775 164 HE2 LYS 17 HE2 LYS 17 4.712 13.485 7.625 165 HE3 LYS 17 HE1 LYS 17 4.159 14.195 9.206 166 HZ1 LYS 17 HZ1 LYS 17 6.034 15.250 7.675 167 HZ2 LYS 17 HZ2 LYS 17 7.021 14.283 8.672 168 HZ3 LYS 17 HZ3 LYS 17 5.985 15.437 9.366 Start of MODEL 16 1 H1 GLU 1 HT1 GLU 1 5.776 15.406 -15.985 2 H2 GLU 1 HT2 GLU 1 6.600 15.541 -14.505 3 H3 GLU 1 HT3 GLU 1 7.000 16.570 -15.797 4 HA GLU 1 HA GLU 1 5.636 18.039 -14.961 5 HB2 GLU 1 HB2 GLU 1 3.601 15.858 -15.688 6 HB3 GLU 1 HB1 GLU 1 3.113 17.519 -15.198 7 HG2 GLU 1 HG2 GLU 1 4.300 18.506 -17.139 8 HG3 GLU 1 HG1 GLU 1 4.947 16.884 -17.607 9 H MET 2 HN MET 2 6.831 17.144 -12.804 10 HA MET 2 HA MET 2 4.622 16.775 -10.923 11 HB2 MET 2 HB2 MET 2 7.311 15.307 -10.887 12 HB3 MET 2 HB1 MET 2 6.219 15.428 -9.464 13 HG2 MET 2 HG2 MET 2 4.387 14.346 -10.867 14 HG3 MET 2 HG1 MET 2 5.598 14.082 -12.162 15 HE1 MET 2 HE1 MET 2 7.422 12.719 -12.236 16 HE2 MET 2 HE2 MET 2 7.982 11.469 -11.072 17 HE3 MET 2 HE3 MET 2 8.312 13.206 -10.751 18 H ARG 3 HN ARG 3 5.102 17.534 -8.777 19 HA ARG 3 HA ARG 3 7.133 19.583 -8.895 20 HB2 ARG 3 HB2 ARG 3 4.824 20.474 -8.670 21 HB3 ARG 3 HB1 ARG 3 4.616 19.421 -7.228 22 HG2 ARG 3 HG2 ARG 3 6.309 20.637 -5.982 23 HG3 ARG 3 HG1 ARG 3 6.793 21.580 -7.437 24 HD2 ARG 3 HD2 ARG 3 3.974 21.694 -6.192 25 HD3 ARG 3 HD1 ARG 3 5.307 22.869 -5.812 26 HE ARG 3 HE ARG 3 5.056 22.744 -8.655 27 HH11 ARG 3 HH11 ARG 3 3.180 23.680 -5.775 28 HH12 ARG 3 HH12 ARG 3 2.264 24.911 -6.580 29 HH21 ARG 3 HH21 ARG 3 3.812 24.419 -9.751 30 HH22 ARG 3 HH22 ARG 3 2.630 25.336 -8.880 31 H LEU 4 HN LEU 4 5.400 17.458 -6.728 32 HA LEU 4 HA LEU 4 7.340 17.587 -4.710 33 HB2 LEU 4 HB2 LEU 4 5.631 15.134 -5.089 34 HB3 LEU 4 HB1 LEU 4 5.963 16.049 -3.562 35 HG LEU 4 HG LEU 4 4.487 17.928 -4.706 36 HD11 LEU 4 HD11 LEU 4 4.252 15.747 -6.677 37 HD12 LEU 4 HD12 LEU 4 3.594 17.430 -6.747 38 HD13 LEU 4 HD13 LEU 4 2.638 16.117 -5.960 39 HD21 LEU 4 HD21 LEU 4 3.682 17.003 -2.687 40 HD22 LEU 4 HD22 LEU 4 3.569 15.334 -3.368 41 HD23 LEU 4 HD23 LEU 4 2.364 16.590 -3.849 42 H SER 5 HN SER 5 6.698 15.643 -7.594 43 HA SER 5 HA SER 5 7.806 13.936 -8.514 44 HB2 SER 5 HB2 SER 5 9.474 15.879 -8.868 45 HB3 SER 5 HB1 SER 5 10.363 15.266 -7.421 46 HG SER 5 HG SER 5 10.980 14.535 -9.629 47 H ORN 6 HN ORN 6 10.732 13.622 -6.760 48 HA ORN 6 HA ORN 6 9.472 11.523 -5.154 49 HB2 ORN 6 HB1 ORN 6 12.492 11.971 -5.472 50 HB3 ORN 6 HB2 ORN 6 11.564 10.974 -6.646 51 HG2 ORN 6 HG1 ORN 6 11.633 9.186 -5.251 52 HG3 ORN 6 HG2 ORN 6 10.853 10.133 -3.940 53 HD2 ORN 6 HD2 ORN 6 13.718 9.345 -4.284 54 HD3 ORN 6 HD1 ORN 6 13.508 11.096 -3.884 55 H PHE 7 HN PHE 7 8.594 13.613 -4.090 56 HA PHE 7 HA PHE 7 10.094 15.296 -2.667 57 HB2 PHE 7 HB2 PHE 7 7.926 15.261 -1.138 58 HB3 PHE 7 HB1 PHE 7 7.793 15.812 -2.822 59 HD1 PHE 7 HD1 PHE 7 6.448 13.762 -0.349 60 HD2 PHE 7 HD2 PHE 7 7.105 13.955 -4.503 61 HE1 PHE 7 HE1 PHE 7 4.584 12.304 -0.692 62 HE2 PHE 7 HE2 PHE 7 5.203 12.503 -4.861 63 HZ PHE 7 HZ PHE 7 3.940 11.684 -2.919 64 H PHE 8 HN PHE 8 8.127 13.633 -0.411 65 HA PHE 8 HA PHE 8 10.549 12.611 0.856 66 HB2 PHE 8 HB2 PHE 8 8.235 12.978 2.695 67 HB3 PHE 8 HB1 PHE 8 9.889 13.734 2.805 68 HD1 PHE 8 HD1 PHE 8 6.541 14.052 1.818 69 HD2 PHE 8 HD2 PHE 8 10.409 15.640 1.428 70 HE1 PHE 8 HE1 PHE 8 5.629 15.911 0.600 71 HE2 PHE 8 HE2 PHE 8 9.499 17.551 0.262 72 HZ PHE 8 HZ PHE 8 7.109 17.617 -0.192 73 H ARG 9 HN ARG 9 8.144 11.794 -1.078 74 HA ARG 9 HA ARG 9 6.715 9.760 0.119 75 HB2 ARG 9 HB2 ARG 9 6.338 8.812 -2.134 76 HB3 ARG 9 HB1 ARG 9 6.134 10.585 -2.131 77 HG2 ARG 9 HG2 ARG 9 8.465 10.851 -3.034 78 HG3 ARG 9 HG1 ARG 9 8.626 9.062 -3.087 79 HD2 ARG 9 HD2 ARG 9 6.432 10.645 -4.603 80 HD3 ARG 9 HD1 ARG 9 7.996 10.075 -5.338 81 HE ARG 9 HE ARG 9 6.784 7.810 -4.099 82 HH11 ARG 9 HH11 ARG 9 6.152 10.180 -6.681 83 HH12 ARG 9 HH12 ARG 9 5.220 9.097 -7.661 84 HH21 ARG 9 HH21 ARG 9 5.516 6.334 -5.430 85 HH22 ARG 9 HH22 ARG 9 4.852 6.872 -6.936 86 H ASN 10 HN ASN 10 10.125 9.844 -0.567 87 HA ASN 10 HA ASN 10 10.384 7.048 -0.934 88 HB2 ASN 10 HB2 ASN 10 12.374 9.195 0.016 89 HB3 ASN 10 HB1 ASN 10 12.824 7.462 -0.188 90 HD21 ASN 10 HD21 ASN 10 12.752 10.504 -1.730 91 H PHE 11 HN PHE 11 9.438 9.056 1.688 92 HA PHE 11 HA PHE 11 9.941 6.819 3.516 93 HB2 PHE 11 HB2 PHE 11 11.281 9.084 3.967 94 HB3 PHE 11 HB1 PHE 11 9.674 9.713 4.489 95 HD1 PHE 11 HD1 PHE 11 11.845 6.697 5.025 96 HD2 PHE 11 HD2 PHE 11 9.224 9.586 6.715 97 HE1 PHE 11 HE1 PHE 11 12.210 5.734 7.248 98 HE2 PHE 11 HE2 PHE 11 9.591 8.618 8.935 99 HZ PHE 11 HZ PHE 11 11.085 6.692 9.204 100 H ILE 12 HN ILE 12 7.942 9.914 3.184 101 HA ILE 12 HA ILE 12 5.541 8.497 3.056 102 HB ILE 12 HB ILE 12 4.612 9.722 5.142 103 HG12 ILE 12 HG12 ILE 12 6.924 9.228 6.800 104 HG13 ILE 12 HG11 ILE 12 7.463 10.277 5.442 105 HG21 ILE 12 HG21 ILE 12 4.545 7.686 6.247 106 HG22 ILE 12 HG22 ILE 12 6.289 7.331 5.952 107 HG23 ILE 12 HG23 ILE 12 5.088 7.129 4.620 108 HD11 ILE 12 HD11 ILE 12 6.181 12.055 6.098 109 HD12 ILE 12 HD12 ILE 12 6.307 11.254 7.713 110 HD13 ILE 12 HD13 ILE 12 4.831 11.020 6.699 111 H LEU 13 HN LEU 13 4.957 11.282 4.786 112 HA LEU 13 HA LEU 13 5.609 13.430 3.490 113 HB2 LEU 13 HB2 LEU 13 5.067 13.223 1.232 114 HB3 LEU 13 HB1 LEU 13 4.145 11.720 1.541 115 HG LEU 13 HG LEU 13 2.953 14.409 2.327 116 HD11 LEU 13 HD11 LEU 13 2.106 14.861 0.150 117 HD12 LEU 13 HD12 LEU 13 2.617 13.252 -0.487 118 HD13 LEU 13 HD13 LEU 13 3.863 14.504 -0.088 119 HD21 LEU 13 HD21 LEU 13 2.142 11.621 2.332 120 HD22 LEU 13 HD22 LEU 13 1.084 12.518 1.163 121 HD23 LEU 13 HD23 LEU 13 1.217 13.075 2.878 122 H GLN 14 HN GLN 14 3.208 11.250 4.646 123 HA GLN 14 HA GLN 14 1.122 11.552 5.443 124 HB2 GLN 14 HB2 GLN 14 3.150 11.810 7.311 125 HB3 GLN 14 HB1 GLN 14 2.143 13.249 7.661 126 HG2 GLN 14 HG2 GLN 14 0.119 11.841 7.921 127 HG3 GLN 14 HG1 GLN 14 1.072 10.364 7.488 128 HE21 GLN 14 HE21 GLN 14 -0.001 10.007 9.836 129 HE22 GLN 14 HE22 GLN 14 1.066 10.327 11.160 130 H ARG 15 HN ARG 15 2.169 14.739 6.760 131 HA ARG 15 HA ARG 15 0.069 15.868 5.072 132 HB2 ARG 15 HB2 ARG 15 0.482 16.132 8.074 133 HB3 ARG 15 HB1 ARG 15 -0.267 17.482 7.151 134 HG2 ARG 15 HG2 ARG 15 -2.060 16.131 8.057 135 HG3 ARG 15 HG1 ARG 15 -2.012 15.858 6.281 136 HD2 ARG 15 HD2 ARG 15 -1.070 13.647 6.516 137 HD3 ARG 15 HD1 ARG 15 -0.562 13.945 8.236 138 HE ARG 15 HE ARG 15 -3.274 13.218 7.280 139 HH11 ARG 15 HH11 ARG 15 -1.270 14.632 9.868 140 HH12 ARG 15 HH12 ARG 15 -2.408 14.313 11.133 141 HH21 ARG 15 HH21 ARG 15 -4.819 12.787 9.001 142 HH22 ARG 15 HH22 ARG 15 -4.459 13.247 10.632 143 H LYS 16 HN LYS 16 2.067 17.346 7.607 144 HA LYS 16 HA LYS 16 2.903 19.349 5.743 145 HB2 LYS 16 HB2 LYS 16 4.095 20.353 7.658 146 HB3 LYS 16 HB1 LYS 16 2.419 19.919 8.133 147 HG2 LYS 16 HG2 LYS 16 3.267 17.801 9.156 148 HG3 LYS 16 HG1 LYS 16 4.941 18.267 8.707 149 HD2 LYS 16 HD2 LYS 16 4.770 20.302 10.125 150 HD3 LYS 16 HD1 LYS 16 3.075 19.871 10.553 151 HE2 LYS 16 HE2 LYS 16 3.863 17.740 11.576 152 HE3 LYS 16 HE1 LYS 16 5.571 18.162 11.146 153 HZ1 LYS 16 HZ1 LYS 16 5.470 20.037 12.565 154 HZ2 LYS 16 HZ2 LYS 16 4.900 18.701 13.445 155 HZ3 LYS 16 HZ3 LYS 16 3.806 19.852 12.843 156 H LYS 17 HN LYS 17 3.915 16.231 6.386 157 HA LYS 17 HA LYS 17 6.708 16.663 6.510 158 HB2 LYS 17 HB2 LYS 17 4.902 14.270 6.127 159 HB3 LYS 17 HB1 LYS 17 6.543 14.134 5.419 160 HG2 LYS 17 HG2 LYS 17 7.237 13.466 7.458 161 HG3 LYS 17 HG1 LYS 17 7.080 15.189 7.959 162 HD2 LYS 17 HD2 LYS 17 5.190 12.840 8.459 163 HD3 LYS 17 HD1 LYS 17 5.869 14.025 9.622 164 HE2 LYS 17 HE2 LYS 17 4.402 15.824 8.484 165 HE3 LYS 17 HE1 LYS 17 3.596 14.472 7.571 166 HZ1 LYS 17 HZ1 LYS 17 3.086 13.456 9.724 167 HZ2 LYS 17 HZ2 LYS 17 2.403 15.009 9.557 168 HZ3 LYS 17 HZ3 LYS 17 3.775 14.789 10.531 Start of MODEL 17 1 H1 GLU 1 HT1 GLU 1 5.410 16.246 -16.940 2 H2 GLU 1 HT2 GLU 1 5.360 15.620 -15.364 3 H3 GLU 1 HT3 GLU 1 6.639 16.633 -15.835 4 HA GLU 1 HA GLU 1 5.419 18.511 -15.753 5 HB2 GLU 1 HB2 GLU 1 2.929 18.588 -15.901 6 HB3 GLU 1 HB1 GLU 1 3.642 17.719 -17.305 7 HG2 GLU 1 HG2 GLU 1 3.141 15.506 -16.175 8 HG3 GLU 1 HG1 GLU 1 2.361 16.402 -14.813 9 H MET 2 HN MET 2 6.258 16.398 -13.672 10 HA MET 2 HA MET 2 4.650 17.567 -11.510 11 HB2 MET 2 HB2 MET 2 5.682 14.679 -11.708 12 HB3 MET 2 HB1 MET 2 5.066 15.427 -10.196 13 HG2 MET 2 HG2 MET 2 2.824 15.706 -11.181 14 HG3 MET 2 HG1 MET 2 3.409 15.153 -12.781 15 HE1 MET 2 HE1 MET 2 2.518 12.799 -8.930 16 HE2 MET 2 HE2 MET 2 2.628 14.570 -9.216 17 HE3 MET 2 HE3 MET 2 4.127 13.595 -9.023 18 H ARG 3 HN ARG 3 5.732 17.997 -9.628 19 HA ARG 3 HA ARG 3 8.578 17.844 -9.996 20 HB2 ARG 3 HB2 ARG 3 8.848 19.670 -8.528 21 HB3 ARG 3 HB1 ARG 3 7.605 20.109 -9.759 22 HG2 ARG 3 HG2 ARG 3 5.813 19.470 -8.113 23 HG3 ARG 3 HG1 ARG 3 7.091 19.176 -6.881 24 HD2 ARG 3 HD2 ARG 3 7.846 21.558 -7.089 25 HD3 ARG 3 HD1 ARG 3 6.529 21.855 -8.306 26 HE ARG 3 HE ARG 3 5.364 20.708 -5.928 27 HH11 ARG 3 HH11 ARG 3 6.967 23.652 -7.132 28 HH12 ARG 3 HH12 ARG 3 6.152 24.726 -6.046 29 HH21 ARG 3 HH21 ARG 3 4.253 22.169 -4.452 30 HH22 ARG 3 HH22 ARG 3 4.583 23.868 -4.496 31 H LEU 4 HN LEU 4 5.888 16.781 -8.165 32 HA LEU 4 HA LEU 4 7.700 15.904 -6.097 33 HB2 LEU 4 HB2 LEU 4 5.087 14.733 -5.767 34 HB3 LEU 4 HB1 LEU 4 5.928 15.902 -4.692 35 HG LEU 4 HG LEU 4 5.054 17.780 -6.129 36 HD11 LEU 4 HD11 LEU 4 2.797 16.460 -7.373 37 HD12 LEU 4 HD12 LEU 4 4.287 15.571 -7.879 38 HD13 LEU 4 HD13 LEU 4 4.153 17.351 -8.170 39 HD21 LEU 4 HD21 LEU 4 3.889 17.410 -4.091 40 HD22 LEU 4 HD22 LEU 4 3.180 15.846 -4.662 41 HD23 LEU 4 HD23 LEU 4 2.577 17.414 -5.335 42 H SER 5 HN SER 5 8.690 14.859 -8.052 43 HA SER 5 HA SER 5 7.362 12.400 -8.750 44 HB2 SER 5 HB2 SER 5 9.720 11.858 -9.841 45 HB3 SER 5 HB1 SER 5 8.735 13.173 -10.596 46 HG SER 5 HG SER 5 10.517 14.217 -10.289 47 H ORN 6 HN ORN 6 10.738 13.016 -7.516 48 HA ORN 6 HA ORN 6 10.150 11.010 -5.438 49 HB2 ORN 6 HB1 ORN 6 12.870 11.725 -6.711 50 HB3 ORN 6 HB2 ORN 6 12.004 10.165 -6.920 51 HG2 ORN 6 HG1 ORN 6 12.941 11.229 -4.173 52 HG3 ORN 6 HG2 ORN 6 13.951 10.182 -5.222 53 HD2 ORN 6 HD2 ORN 6 11.196 9.084 -4.788 54 HD3 ORN 6 HD1 ORN 6 12.809 8.279 -4.634 55 H PHE 7 HN PHE 7 9.106 12.937 -4.493 56 HA PHE 7 HA PHE 7 10.801 15.094 -3.801 57 HB2 PHE 7 HB2 PHE 7 8.599 15.649 -2.416 58 HB3 PHE 7 HB1 PHE 7 8.561 15.789 -4.187 59 HD1 PHE 7 HD1 PHE 7 6.882 14.632 -1.413 60 HD2 PHE 7 HD2 PHE 7 7.846 13.561 -5.352 61 HE1 PHE 7 HE1 PHE 7 4.902 13.293 -1.501 62 HE2 PHE 7 HE2 PHE 7 5.844 12.214 -5.472 63 HZ PHE 7 HZ PHE 7 4.359 12.096 -3.507 64 H PHE 8 HN PHE 8 8.619 14.270 -1.311 65 HA PHE 8 HA PHE 8 10.868 13.276 0.273 66 HB2 PHE 8 HB2 PHE 8 8.565 14.237 1.868 67 HB3 PHE 8 HB1 PHE 8 10.262 14.893 1.863 68 HD1 PHE 8 HD1 PHE 8 6.946 15.278 0.820 69 HD2 PHE 8 HD2 PHE 8 10.939 16.327 0.017 70 HE1 PHE 8 HE1 PHE 8 6.180 16.863 -0.817 71 HE2 PHE 8 HE2 PHE 8 10.182 17.960 -1.590 72 HZ PHE 8 HZ PHE 8 7.793 18.136 -2.046 73 H ARG 9 HN ARG 9 8.495 12.374 -1.621 74 HA ARG 9 HA ARG 9 6.676 10.799 -0.311 75 HB2 ARG 9 HB2 ARG 9 7.012 11.316 -2.892 76 HB3 ARG 9 HB1 ARG 9 7.994 9.824 -2.870 77 HG2 ARG 9 HG2 ARG 9 6.097 8.488 -2.098 78 HG3 ARG 9 HG1 ARG 9 5.090 9.957 -1.863 79 HD2 ARG 9 HD2 ARG 9 4.431 8.833 -3.987 80 HD3 ARG 9 HD1 ARG 9 5.246 10.404 -4.391 81 HE ARG 9 HE ARG 9 7.076 9.186 -5.290 82 HH11 ARG 9 HH11 ARG 9 4.861 7.049 -3.485 83 HH12 ARG 9 HH12 ARG 9 5.598 5.578 -4.026 84 HH21 ARG 9 HH21 ARG 9 8.072 7.186 -6.019 85 HH22 ARG 9 HH22 ARG 9 7.453 5.658 -5.489 86 H ASN 10 HN ASN 10 10.118 10.196 -0.933 87 HA ASN 10 HA ASN 10 9.934 7.418 -0.569 88 HB2 ASN 10 HB2 ASN 10 12.270 9.394 -0.311 89 HB3 ASN 10 HB1 ASN 10 12.468 7.616 -0.073 90 HD21 ASN 10 HD21 ASN 10 12.260 10.207 -2.444 91 H PHE 11 HN PHE 11 9.471 10.055 1.595 92 HA PHE 11 HA PHE 11 9.893 8.204 3.842 93 HB2 PHE 11 HB2 PHE 11 9.958 11.289 3.840 94 HB3 PHE 11 HB1 PHE 11 10.026 10.259 5.321 95 HD1 PHE 11 HD1 PHE 11 11.864 11.609 2.486 96 HD2 PHE 11 HD2 PHE 11 12.002 8.883 5.748 97 HE1 PHE 11 HE1 PHE 11 14.308 11.517 2.312 98 HE2 PHE 11 HE2 PHE 11 14.444 8.796 5.569 99 HZ PHE 11 HZ PHE 11 15.600 10.113 3.851 100 H ILE 12 HN ILE 12 7.990 11.166 2.811 101 HA ILE 12 HA ILE 12 5.540 9.920 2.923 102 HB ILE 12 HB ILE 12 4.730 11.652 4.796 103 HG12 ILE 12 HG12 ILE 12 6.511 10.961 6.782 104 HG13 ILE 12 HG11 ILE 12 7.646 11.208 5.415 105 HG21 ILE 12 HG21 ILE 12 5.194 8.771 4.613 106 HG22 ILE 12 HG22 ILE 12 3.843 9.682 5.385 107 HG23 ILE 12 HG23 ILE 12 5.347 9.334 6.320 108 HD11 ILE 12 HD11 ILE 12 5.473 13.292 5.943 109 HD12 ILE 12 HD12 ILE 12 7.094 13.491 5.177 110 HD13 ILE 12 HD13 ILE 12 6.962 13.268 6.963 111 H LEU 13 HN LEU 13 5.242 13.049 4.189 112 HA LEU 13 HA LEU 13 6.089 14.822 2.511 113 HB2 LEU 13 HB2 LEU 13 5.453 14.339 0.324 114 HB3 LEU 13 HB1 LEU 13 4.464 12.954 0.883 115 HG LEU 13 HG LEU 13 3.379 15.767 1.254 116 HD11 LEU 13 HD11 LEU 13 2.952 14.294 -1.382 117 HD12 LEU 13 HD12 LEU 13 4.354 15.418 -1.159 118 HD13 LEU 13 HD13 LEU 13 2.659 16.026 -0.969 119 HD21 LEU 13 HD21 LEU 13 1.532 13.689 0.282 120 HD22 LEU 13 HD22 LEU 13 1.503 14.625 1.828 121 HD23 LEU 13 HD23 LEU 13 2.459 13.091 1.718 122 H GLN 14 HN GLN 14 3.489 13.185 4.131 123 HA GLN 14 HA GLN 14 1.733 15.367 4.261 124 HB2 GLN 14 HB2 GLN 14 2.087 12.827 5.900 125 HB3 GLN 14 HB1 GLN 14 0.925 14.093 6.423 126 HG2 GLN 14 HG2 GLN 14 -0.484 12.748 5.127 127 HG3 GLN 14 HG1 GLN 14 0.075 13.934 3.880 128 HE21 GLN 14 HE21 GLN 14 -0.801 11.587 2.864 129 HE22 GLN 14 HE22 GLN 14 0.503 10.567 2.360 130 H ARG 15 HN ARG 15 1.302 16.822 5.929 131 HA ARG 15 HA ARG 15 3.715 17.581 7.314 132 HB2 ARG 15 HB2 ARG 15 0.974 18.927 6.997 133 HB3 ARG 15 HB1 ARG 15 2.332 19.635 7.936 134 HG2 ARG 15 HG2 ARG 15 2.283 20.678 5.731 135 HG3 ARG 15 HG1 ARG 15 3.750 19.657 5.859 136 HD2 ARG 15 HD2 ARG 15 2.503 19.516 3.593 137 HD3 ARG 15 HD1 ARG 15 2.758 17.914 4.405 138 HE ARG 15 HE ARG 15 0.413 17.746 4.711 139 HH11 ARG 15 HH11 ARG 15 1.348 21.063 3.785 140 HH12 ARG 15 HH12 ARG 15 -0.272 21.607 3.509 141 HH21 ARG 15 HH21 ARG 15 -1.789 18.491 4.329 142 HH22 ARG 15 HH22 ARG 15 -2.085 20.120 3.824 143 H LYS 16 HN LYS 16 1.214 15.473 7.884 144 HA LYS 16 HA LYS 16 1.017 16.216 10.702 145 HB2 LYS 16 HB2 LYS 16 -0.487 13.816 10.238 146 HB3 LYS 16 HB1 LYS 16 -1.138 15.454 10.591 147 HG2 LYS 16 HG2 LYS 16 -1.244 15.984 8.184 148 HG3 LYS 16 HG1 LYS 16 -0.443 14.426 7.774 149 HD2 LYS 16 HD2 LYS 16 -2.947 14.274 9.459 150 HD3 LYS 16 HD1 LYS 16 -3.144 14.766 7.741 151 HE2 LYS 16 HE2 LYS 16 -1.909 12.689 7.011 152 HE3 LYS 16 HE1 LYS 16 -1.751 12.187 8.747 153 HZ1 LYS 16 HZ1 LYS 16 -4.100 12.065 8.918 154 HZ2 LYS 16 HZ2 LYS 16 -3.630 11.191 7.541 155 HZ3 LYS 16 HZ3 LYS 16 -4.335 12.725 7.372 156 H LYS 17 HN LYS 17 2.719 14.277 8.487 157 HA LYS 17 HA LYS 17 3.151 12.149 10.392 158 HB2 LYS 17 HB2 LYS 17 3.815 12.680 7.477 159 HB3 LYS 17 HB1 LYS 17 4.910 11.584 8.397 160 HG2 LYS 17 HG2 LYS 17 3.136 10.327 7.203 161 HG3 LYS 17 HG1 LYS 17 3.027 10.110 8.979 162 HD2 LYS 17 HD2 LYS 17 0.959 11.071 9.096 163 HD3 LYS 17 HD1 LYS 17 1.394 12.386 7.956 164 HE2 LYS 17 HE2 LYS 17 -0.406 10.997 6.983 165 HE3 LYS 17 HE1 LYS 17 1.114 10.760 6.020 166 HZ1 LYS 17 HZ1 LYS 17 1.272 8.874 7.962 167 HZ2 LYS 17 HZ2 LYS 17 0.733 8.633 6.369 168 HZ3 LYS 17 HZ3 LYS 17 -0.390 8.901 7.616 Start of MODEL 18 1 H1 GLU 1 HT1 GLU 1 3.852 14.180 -16.428 2 H2 GLU 1 HT2 GLU 1 3.111 14.077 -14.903 3 H3 GLU 1 HT3 GLU 1 4.712 13.547 -15.107 4 HA GLU 1 HA GLU 1 5.539 15.665 -15.345 5 HB2 GLU 1 HB2 GLU 1 3.726 16.430 -16.932 6 HB3 GLU 1 HB1 GLU 1 2.620 16.617 -15.525 7 HG2 GLU 1 HG2 GLU 1 4.105 18.385 -14.555 8 HG3 GLU 1 HG1 GLU 1 5.263 18.181 -15.929 9 H MET 2 HN MET 2 6.385 15.693 -13.265 10 HA MET 2 HA MET 2 4.490 16.542 -11.203 11 HB2 MET 2 HB2 MET 2 6.637 14.373 -10.942 12 HB3 MET 2 HB1 MET 2 5.877 15.192 -9.535 13 HG2 MET 2 HG2 MET 2 3.631 14.371 -10.261 14 HG3 MET 2 HG1 MET 2 4.380 13.556 -11.672 15 HE1 MET 2 HE1 MET 2 3.093 10.758 -9.209 16 HE2 MET 2 HE2 MET 2 2.968 11.490 -10.846 17 HE3 MET 2 HE3 MET 2 2.436 12.422 -9.404 18 H ARG 3 HN ARG 3 5.518 17.600 -9.386 19 HA ARG 3 HA ARG 3 7.941 18.886 -10.280 20 HB2 ARG 3 HB2 ARG 3 6.021 20.439 -9.991 21 HB3 ARG 3 HB1 ARG 3 5.811 19.794 -8.326 22 HG2 ARG 3 HG2 ARG 3 7.865 20.770 -7.557 23 HG3 ARG 3 HG1 ARG 3 8.432 21.109 -9.230 24 HD2 ARG 3 HD2 ARG 3 7.665 23.218 -8.156 25 HD3 ARG 3 HD1 ARG 3 6.509 22.771 -9.487 26 HE ARG 3 HE ARG 3 5.617 21.623 -6.980 27 HH11 ARG 3 HH11 ARG 3 5.981 24.703 -8.737 28 HH12 ARG 3 HH12 ARG 3 4.638 25.479 -7.967 29 HH21 ARG 3 HH21 ARG 3 3.792 22.680 -5.930 30 HH22 ARG 3 HH22 ARG 3 3.373 24.309 -6.342 31 H LEU 4 HN LEU 4 6.202 17.830 -7.437 32 HA LEU 4 HA LEU 4 8.345 17.855 -5.706 33 HB2 LEU 4 HB2 LEU 4 6.439 15.601 -5.364 34 HB3 LEU 4 HB1 LEU 4 6.822 16.942 -4.215 35 HG LEU 4 HG LEU 4 5.394 18.388 -5.975 36 HD11 LEU 4 HD11 LEU 4 4.534 15.488 -6.519 37 HD12 LEU 4 HD12 LEU 4 4.854 16.816 -7.700 38 HD13 LEU 4 HD13 LEU 4 3.363 16.850 -6.684 39 HD21 LEU 4 HD21 LEU 4 3.922 16.510 -4.034 40 HD22 LEU 4 HD22 LEU 4 3.487 18.196 -4.514 41 HD23 LEU 4 HD23 LEU 4 4.941 17.896 -3.488 42 H SER 5 HN SER 5 7.082 15.558 -8.075 43 HA SER 5 HA SER 5 7.863 13.688 -8.921 44 HB2 SER 5 HB2 SER 5 10.582 14.905 -8.171 45 HB3 SER 5 HB1 SER 5 10.417 13.373 -9.120 46 HG SER 5 HG SER 5 9.668 16.008 -9.778 47 H ORN 6 HN ORN 6 10.762 13.394 -6.879 48 HA ORN 6 HA ORN 6 9.274 11.343 -5.385 49 HB2 ORN 6 HB1 ORN 6 12.292 11.273 -5.398 50 HB3 ORN 6 HB2 ORN 6 11.478 10.801 -6.931 51 HG2 ORN 6 HG1 ORN 6 10.905 8.776 -6.082 52 HG3 ORN 6 HG2 ORN 6 10.119 9.532 -4.656 53 HD2 ORN 6 HD2 ORN 6 12.643 8.059 -4.793 54 HD3 ORN 6 HD1 ORN 6 12.983 9.748 -4.241 55 H PHE 7 HN PHE 7 9.606 14.315 -5.037 56 HA PHE 7 HA PHE 7 10.949 15.587 -3.511 57 HB2 PHE 7 HB2 PHE 7 8.809 15.941 -1.920 58 HB3 PHE 7 HB1 PHE 7 8.807 16.492 -3.604 59 HD1 PHE 7 HD1 PHE 7 6.631 16.048 -1.684 60 HD2 PHE 7 HD2 PHE 7 8.102 13.533 -4.734 61 HE1 PHE 7 HE1 PHE 7 4.480 15.060 -1.946 62 HE2 PHE 7 HE2 PHE 7 5.950 12.535 -4.960 63 HZ PHE 7 HZ PHE 7 4.124 13.296 -3.529 64 H PHE 8 HN PHE 8 8.796 14.295 -1.116 65 HA PHE 8 HA PHE 8 11.154 13.109 0.164 66 HB2 PHE 8 HB2 PHE 8 9.037 13.931 2.078 67 HB3 PHE 8 HB1 PHE 8 10.777 14.466 2.032 68 HD1 PHE 8 HD1 PHE 8 7.417 15.206 1.241 69 HD2 PHE 8 HD2 PHE 8 11.457 16.114 0.436 70 HE1 PHE 8 HE1 PHE 8 6.730 17.112 -0.053 71 HE2 PHE 8 HE2 PHE 8 10.768 18.047 -0.825 72 HZ PHE 8 HZ PHE 8 8.397 18.469 -1.116 73 H ARG 9 HN ARG 9 8.344 12.612 -1.428 74 HA ARG 9 HA ARG 9 6.781 10.942 0.055 75 HB2 ARG 9 HB2 ARG 9 6.184 11.865 -2.188 76 HB3 ARG 9 HB1 ARG 9 7.389 10.770 -2.943 77 HG2 ARG 9 HG2 ARG 9 6.110 8.798 -2.292 78 HG3 ARG 9 HG1 ARG 9 5.000 9.785 -1.280 79 HD2 ARG 9 HD2 ARG 9 4.125 10.941 -3.324 80 HD3 ARG 9 HD1 ARG 9 5.274 9.992 -4.365 81 HE ARG 9 HE ARG 9 2.825 8.955 -3.019 82 HH11 ARG 9 HH11 ARG 9 5.888 8.317 -4.725 83 HH12 ARG 9 HH12 ARG 9 5.474 6.702 -5.190 84 HH21 ARG 9 HH21 ARG 9 2.263 6.751 -3.648 85 HH22 ARG 9 HH22 ARG 9 3.377 5.798 -4.568 86 H ASN 10 HN ASN 10 10.063 10.349 -0.857 87 HA ASN 10 HA ASN 10 9.960 7.599 -1.298 88 HB2 ASN 10 HB2 ASN 10 12.062 9.292 0.193 89 HB3 ASN 10 HB1 ASN 10 12.279 7.545 -0.158 90 HD21 ASN 10 HD21 ASN 10 10.697 8.327 -2.903 91 H PHE 11 HN PHE 11 9.762 9.669 1.638 92 HA PHE 11 HA PHE 11 9.322 7.211 3.184 93 HB2 PHE 11 HB2 PHE 11 11.221 8.854 3.944 94 HB3 PHE 11 HB1 PHE 11 9.885 9.988 4.371 95 HD1 PHE 11 HD1 PHE 11 11.134 6.523 4.987 96 HD2 PHE 11 HD2 PHE 11 8.864 9.815 6.431 97 HE1 PHE 11 HE1 PHE 11 10.904 5.416 7.162 98 HE2 PHE 11 HE2 PHE 11 8.636 8.703 8.602 99 HZ PHE 11 HZ PHE 11 9.656 6.503 8.970 100 H ILE 12 HN ILE 12 8.233 10.763 3.120 101 HA ILE 12 HA ILE 12 5.552 9.937 3.021 102 HB ILE 12 HB ILE 12 4.893 11.310 4.996 103 HG12 ILE 12 HG12 ILE 12 6.943 11.236 6.802 104 HG13 ILE 12 HG11 ILE 12 7.888 11.497 5.290 105 HG21 ILE 12 HG21 ILE 12 5.244 9.514 6.660 106 HG22 ILE 12 HG22 ILE 12 6.591 8.832 5.678 107 HG23 ILE 12 HG23 ILE 12 4.904 8.802 5.038 108 HD11 ILE 12 HD11 ILE 12 6.760 13.546 6.770 109 HD12 ILE 12 HD12 ILE 12 5.431 13.237 5.585 110 HD13 ILE 12 HD13 ILE 12 7.087 13.652 5.000 111 H LEU 13 HN LEU 13 4.555 12.463 3.682 112 HA LEU 13 HA LEU 13 6.240 14.417 2.633 113 HB2 LEU 13 HB2 LEU 13 5.907 14.331 0.378 114 HB3 LEU 13 HB1 LEU 13 5.200 12.709 0.666 115 HG LEU 13 HG LEU 13 3.703 13.886 -0.730 116 HD11 LEU 13 HD11 LEU 13 2.000 14.485 1.607 117 HD12 LEU 13 HD12 LEU 13 2.818 12.875 1.710 118 HD13 LEU 13 HD13 LEU 13 1.800 13.284 0.277 119 HD21 LEU 13 HD21 LEU 13 3.186 16.133 -0.718 120 HD22 LEU 13 HD22 LEU 13 4.763 16.215 0.162 121 HD23 LEU 13 HD23 LEU 13 3.201 16.261 1.081 122 H GLN 14 HN GLN 14 3.255 13.190 3.914 123 HA GLN 14 HA GLN 14 1.915 15.687 3.726 124 HB2 GLN 14 HB2 GLN 14 1.346 13.174 5.371 125 HB3 GLN 14 HB1 GLN 14 0.326 14.657 5.470 126 HG2 GLN 14 HG2 GLN 14 -0.070 14.540 2.993 127 HG3 GLN 14 HG1 GLN 14 0.895 13.008 2.933 128 HE21 GLN 14 HE21 GLN 14 -2.251 14.206 3.131 129 HE22 GLN 14 HE22 GLN 14 -3.030 12.852 3.874 130 H ARG 15 HN ARG 15 1.232 16.985 5.557 131 HA ARG 15 HA ARG 15 3.532 17.524 7.169 132 HB2 ARG 15 HB2 ARG 15 0.814 18.849 6.757 133 HB3 ARG 15 HB1 ARG 15 1.871 19.348 8.121 134 HG2 ARG 15 HG2 ARG 15 2.170 20.831 6.155 135 HG3 ARG 15 HG1 ARG 15 3.684 19.962 6.565 136 HD2 ARG 15 HD2 ARG 15 3.222 20.076 4.052 137 HD3 ARG 15 HD1 ARG 15 3.338 18.372 4.666 138 HE ARG 15 HE ARG 15 1.030 18.082 4.183 139 HH11 ARG 15 HH11 ARG 15 1.951 21.528 4.055 140 HH12 ARG 15 HH12 ARG 15 0.464 22.056 3.341 141 HH21 ARG 15 HH21 ARG 15 -0.989 18.809 3.212 142 HH22 ARG 15 HH22 ARG 15 -1.234 20.485 2.857 143 H LYS 16 HN LYS 16 1.086 15.276 7.415 144 HA LYS 16 HA LYS 16 0.604 15.680 10.243 145 HB2 LYS 16 HB2 LYS 16 -0.055 13.231 8.509 146 HB3 LYS 16 HB1 LYS 16 -0.712 13.591 10.141 147 HG2 LYS 16 HG2 LYS 16 -1.823 15.660 9.164 148 HG3 LYS 16 HG1 LYS 16 -1.270 15.120 7.538 149 HD2 LYS 16 HD2 LYS 16 -3.051 13.471 9.438 150 HD3 LYS 16 HD1 LYS 16 -3.648 14.456 8.056 151 HE2 LYS 16 HE2 LYS 16 -2.270 13.043 6.474 152 HE3 LYS 16 HE1 LYS 16 -1.729 12.028 7.878 153 HZ1 LYS 16 HZ1 LYS 16 -3.928 11.340 8.248 154 HZ2 LYS 16 HZ2 LYS 16 -3.652 11.184 6.580 155 HZ3 LYS 16 HZ3 LYS 16 -4.581 12.478 7.171 156 H LYS 17 HN LYS 17 3.003 14.490 8.198 157 HA LYS 17 HA LYS 17 3.864 12.548 10.222 158 HB2 LYS 17 HB2 LYS 17 4.037 12.636 7.183 159 HB3 LYS 17 HB1 LYS 17 5.364 11.832 8.102 160 HG2 LYS 17 HG2 LYS 17 4.099 10.017 8.581 161 HG3 LYS 17 HG1 LYS 17 2.680 11.016 9.068 162 HD2 LYS 17 HD2 LYS 17 3.301 10.904 6.114 163 HD3 LYS 17 HD1 LYS 17 2.721 9.380 6.864 164 HE2 LYS 17 HE2 LYS 17 1.233 12.038 7.329 165 HE3 LYS 17 HE1 LYS 17 0.935 11.021 5.857 166 HZ1 LYS 17 HZ1 LYS 17 0.948 9.368 8.124 167 HZ2 LYS 17 HZ2 LYS 17 -0.330 9.736 7.067 168 HZ3 LYS 17 HZ3 LYS 17 -0.060 10.696 8.442 Start of MODEL 19 1 H1 GLU 1 HT1 GLU 1 4.867 17.946 -14.479 2 H2 GLU 1 HT2 GLU 1 4.069 17.826 -15.974 3 H3 GLU 1 HT3 GLU 1 5.349 16.771 -15.608 4 HA GLU 1 HA GLU 1 2.582 16.611 -14.946 5 HB2 GLU 1 HB2 GLU 1 4.976 14.691 -14.922 6 HB3 GLU 1 HB1 GLU 1 3.311 14.166 -14.484 7 HG2 GLU 1 HG2 GLU 1 2.470 14.728 -16.741 8 HG3 GLU 1 HG1 GLU 1 4.067 15.441 -17.201 9 H MET 2 HN MET 2 5.697 16.290 -13.105 10 HA MET 2 HA MET 2 4.086 16.684 -10.695 11 HB2 MET 2 HB2 MET 2 6.361 14.662 -11.057 12 HB3 MET 2 HB1 MET 2 5.746 15.204 -9.457 13 HG2 MET 2 HG2 MET 2 3.431 14.386 -10.155 14 HG3 MET 2 HG1 MET 2 4.178 13.691 -11.628 15 HE1 MET 2 HE1 MET 2 7.005 12.365 -10.690 16 HE2 MET 2 HE2 MET 2 5.693 12.052 -11.878 17 HE3 MET 2 HE3 MET 2 6.191 10.762 -10.730 18 H ARG 3 HN ARG 3 5.275 17.603 -8.927 19 HA ARG 3 HA ARG 3 7.563 19.056 -9.925 20 HB2 ARG 3 HB2 ARG 3 5.668 20.554 -9.385 21 HB3 ARG 3 HB1 ARG 3 5.555 19.768 -7.772 22 HG2 ARG 3 HG2 ARG 3 7.692 20.670 -7.071 23 HG3 ARG 3 HG1 ARG 3 8.075 21.241 -8.735 24 HD2 ARG 3 HD2 ARG 3 6.233 22.915 -8.624 25 HD3 ARG 3 HD1 ARG 3 5.748 22.297 -6.986 26 HE ARG 3 HE ARG 3 7.618 23.414 -6.050 27 HH11 ARG 3 HH11 ARG 3 7.829 23.314 -9.609 28 HH12 ARG 3 HH12 ARG 3 9.168 24.407 -9.711 29 HH21 ARG 3 HH21 ARG 3 9.435 24.900 -6.195 30 HH22 ARG 3 HH22 ARG 3 10.096 25.322 -7.739 31 H LEU 4 HN LEU 4 6.069 17.731 -7.048 32 HA LEU 4 HA LEU 4 8.445 17.708 -5.570 33 HB2 LEU 4 HB2 LEU 4 6.293 15.639 -5.112 34 HB3 LEU 4 HB1 LEU 4 7.161 16.643 -3.888 35 HG LEU 4 HG LEU 4 5.801 18.643 -4.954 36 HD11 LEU 4 HD11 LEU 4 4.346 18.122 -6.633 37 HD12 LEU 4 HD12 LEU 4 3.401 17.136 -5.451 38 HD13 LEU 4 HD13 LEU 4 4.688 16.355 -6.445 39 HD21 LEU 4 HD21 LEU 4 3.863 18.114 -3.377 40 HD22 LEU 4 HD22 LEU 4 5.502 17.933 -2.639 41 HD23 LEU 4 HD23 LEU 4 4.572 16.468 -3.145 42 H SER 5 HN SER 5 6.774 15.589 -7.843 43 HA SER 5 HA SER 5 7.331 13.670 -8.780 44 HB2 SER 5 HB2 SER 5 9.432 14.998 -9.458 45 HB3 SER 5 HB1 SER 5 10.266 14.243 -8.046 46 HG SER 5 HG SER 5 10.368 13.229 -10.239 47 H ORN 6 HN ORN 6 10.240 12.769 -7.111 48 HA ORN 6 HA ORN 6 8.620 10.976 -5.447 49 HB2 ORN 6 HB1 ORN 6 11.644 10.778 -5.923 50 HB3 ORN 6 HB2 ORN 6 10.475 10.061 -7.084 51 HG2 ORN 6 HG1 ORN 6 10.058 8.272 -5.735 52 HG3 ORN 6 HG2 ORN 6 9.877 9.296 -4.271 53 HD2 ORN 6 HD2 ORN 6 12.126 7.593 -5.046 54 HD3 ORN 6 HD1 ORN 6 12.702 9.304 -4.983 55 H PHE 7 HN PHE 7 9.498 13.967 -5.149 56 HA PHE 7 HA PHE 7 11.068 15.056 -3.795 57 HB2 PHE 7 HB2 PHE 7 9.359 15.579 -1.848 58 HB3 PHE 7 HB1 PHE 7 8.959 16.042 -3.512 59 HD1 PHE 7 HD1 PHE 7 7.750 14.699 -0.616 60 HD2 PHE 7 HD2 PHE 7 7.651 14.093 -4.782 61 HE1 PHE 7 HE1 PHE 7 5.604 13.647 -0.396 62 HE2 PHE 7 HE2 PHE 7 5.490 13.037 -4.573 63 HZ PHE 7 HZ PHE 7 4.465 12.827 -2.347 64 H PHE 8 HN PHE 8 9.357 13.959 -1.079 65 HA PHE 8 HA PHE 8 11.716 12.478 -0.211 66 HB2 PHE 8 HB2 PHE 8 10.152 13.647 2.027 67 HB3 PHE 8 HB1 PHE 8 11.909 13.916 1.638 68 HD1 PHE 8 HD1 PHE 8 8.575 15.052 1.355 69 HD2 PHE 8 HD2 PHE 8 12.528 15.499 -0.019 70 HE1 PHE 8 HE1 PHE 8 7.908 17.001 0.115 71 HE2 PHE 8 HE2 PHE 8 11.882 17.489 -1.219 72 HZ PHE 8 HZ PHE 8 9.549 18.175 -1.186 73 H ARG 9 HN ARG 9 8.963 12.180 -1.525 74 HA ARG 9 HA ARG 9 7.101 10.951 0.046 75 HB2 ARG 9 HB2 ARG 9 7.011 11.543 -2.489 76 HB3 ARG 9 HB1 ARG 9 7.821 9.972 -2.758 77 HG2 ARG 9 HG2 ARG 9 5.957 8.740 -1.803 78 HG3 ARG 9 HG1 ARG 9 5.180 10.249 -1.211 79 HD2 ARG 9 HD2 ARG 9 4.809 11.011 -3.583 80 HD3 ARG 9 HD1 ARG 9 5.601 9.486 -4.188 81 HE ARG 9 HE ARG 9 3.554 8.659 -2.406 82 HH11 ARG 9 HH11 ARG 9 3.902 10.521 -5.422 83 HH12 ARG 9 HH12 ARG 9 2.342 10.096 -6.046 84 HH21 ARG 9 HH21 ARG 9 1.433 8.081 -3.253 85 HH22 ARG 9 HH22 ARG 9 0.915 8.685 -4.790 86 H ASN 10 HN ASN 10 10.203 9.660 -1.139 87 HA ASN 10 HA ASN 10 9.549 6.964 -0.824 88 HB2 ASN 10 HB2 ASN 10 12.228 8.450 -0.613 89 HB3 ASN 10 HB1 ASN 10 12.093 6.656 -0.498 90 HD21 ASN 10 HD21 ASN 10 12.071 9.463 -2.650 91 H PHE 11 HN PHE 11 10.107 9.555 1.500 92 HA PHE 11 HA PHE 11 10.241 7.512 3.611 93 HB2 PHE 11 HB2 PHE 11 10.914 10.522 3.733 94 HB3 PHE 11 HB1 PHE 11 10.962 9.391 5.139 95 HD1 PHE 11 HD1 PHE 11 12.656 10.565 2.137 96 HD2 PHE 11 HD2 PHE 11 12.682 7.659 5.241 97 HE1 PHE 11 HE1 PHE 11 14.995 10.035 1.626 98 HE2 PHE 11 HE2 PHE 11 15.020 7.134 4.726 99 HZ PHE 11 HZ PHE 11 16.178 8.320 2.918 100 H ILE 12 HN ILE 12 8.938 10.898 3.065 101 HA ILE 12 HA ILE 12 6.295 10.142 3.357 102 HB ILE 12 HB ILE 12 6.030 11.795 5.429 103 HG12 ILE 12 HG12 ILE 12 7.782 10.738 7.182 104 HG13 ILE 12 HG11 ILE 12 8.848 10.696 5.737 105 HG21 ILE 12 HG21 ILE 12 5.227 9.363 5.019 106 HG22 ILE 12 HG22 ILE 12 5.432 9.890 6.730 107 HG23 ILE 12 HG23 ILE 12 6.679 8.852 5.957 108 HD11 ILE 12 HD11 ILE 12 7.336 13.253 6.568 109 HD12 ILE 12 HD12 ILE 12 8.759 13.097 5.467 110 HD13 ILE 12 HD13 ILE 12 8.956 12.827 7.239 111 H LEU 13 HN LEU 13 6.894 13.110 4.872 112 HA LEU 13 HA LEU 13 7.852 14.799 3.158 113 HB2 LEU 13 HB2 LEU 13 6.726 14.715 1.158 114 HB3 LEU 13 HB1 LEU 13 5.558 13.535 1.821 115 HG LEU 13 HG LEU 13 5.177 16.436 2.586 116 HD11 LEU 13 HD11 LEU 13 5.787 16.198 0.013 117 HD12 LEU 13 HD12 LEU 13 4.341 17.163 0.515 118 HD13 LEU 13 HD13 LEU 13 4.132 15.486 -0.116 119 HD21 LEU 13 HD21 LEU 13 3.040 15.740 3.037 120 HD22 LEU 13 HD22 LEU 13 3.786 14.090 3.041 121 HD23 LEU 13 HD23 LEU 13 2.950 14.705 1.561 122 H GLN 14 HN GLN 14 5.521 13.644 5.379 123 HA GLN 14 HA GLN 14 4.872 14.519 7.313 124 HB2 GLN 14 HB2 GLN 14 5.743 17.352 6.589 125 HB3 GLN 14 HB1 GLN 14 5.527 16.632 8.222 126 HG2 GLN 14 HG2 GLN 14 7.545 15.141 7.734 127 HG3 GLN 14 HG1 GLN 14 7.793 16.099 6.218 128 HE21 GLN 14 HE21 GLN 14 8.975 17.958 6.358 129 HE22 GLN 14 HE22 GLN 14 9.347 18.806 7.820 130 H ARG 15 HN ARG 15 3.867 17.293 7.618 131 HA ARG 15 HA ARG 15 2.065 18.484 7.195 132 HB2 ARG 15 HB2 ARG 15 2.535 17.349 4.423 133 HB3 ARG 15 HB1 ARG 15 0.997 18.219 4.757 134 HG2 ARG 15 HG2 ARG 15 2.527 19.847 3.867 135 HG3 ARG 15 HG1 ARG 15 2.381 20.180 5.625 136 HD2 ARG 15 HD2 ARG 15 4.748 20.338 5.263 137 HD3 ARG 15 HD1 ARG 15 4.573 18.623 5.821 138 HE ARG 15 HE ARG 15 5.224 17.904 3.698 139 HH11 ARG 15 HH11 ARG 15 4.210 21.331 3.591 140 HH12 ARG 15 HH12 ARG 15 4.774 21.606 1.976 141 HH21 ARG 15 HH21 ARG 15 5.995 18.296 1.505 142 HH22 ARG 15 HH22 ARG 15 5.803 19.854 0.773 143 H LYS 16 HN LYS 16 1.111 15.781 5.076 144 HA LYS 16 HA LYS 16 -1.370 15.568 6.409 145 HB2 LYS 16 HB2 LYS 16 -1.439 13.267 5.101 146 HB3 LYS 16 HB1 LYS 16 -1.539 14.802 4.173 147 HG2 LYS 16 HG2 LYS 16 0.679 14.624 3.388 148 HG3 LYS 16 HG1 LYS 16 1.164 13.494 4.700 149 HD2 LYS 16 HD2 LYS 16 -0.267 11.714 3.710 150 HD3 LYS 16 HD1 LYS 16 -0.799 12.847 2.418 151 HE2 LYS 16 HE2 LYS 16 1.509 13.023 1.562 152 HE3 LYS 16 HE1 LYS 16 2.120 11.993 2.921 153 HZ1 LYS 16 HZ1 LYS 16 1.316 10.150 1.975 154 HZ2 LYS 16 HZ2 LYS 16 1.458 11.056 0.546 155 HZ3 LYS 16 HZ3 LYS 16 -0.052 10.904 1.308 156 H LYS 17 HN LYS 17 1.798 14.401 7.036 157 HA LYS 17 HA LYS 17 0.844 12.105 8.520 158 HB2 LYS 17 HB2 LYS 17 3.543 13.293 7.808 159 HB3 LYS 17 HB1 LYS 17 3.446 12.284 9.288 160 HG2 LYS 17 HG2 LYS 17 4.072 11.221 6.931 161 HG3 LYS 17 HG1 LYS 17 3.053 10.322 8.109 162 HD2 LYS 17 HD2 LYS 17 1.018 10.854 6.895 163 HD3 LYS 17 HD1 LYS 17 1.855 12.086 5.895 164 HE2 LYS 17 HE2 LYS 17 1.443 10.042 4.565 165 HE3 LYS 17 HE1 LYS 17 3.227 10.243 4.824 166 HZ1 LYS 17 HZ1 LYS 17 1.365 8.277 5.937 167 HZ2 LYS 17 HZ2 LYS 17 2.669 8.772 6.905 168 HZ3 LYS 17 HZ3 LYS 17 2.956 8.095 5.374 Start of MODEL 20 1 H1 GLU 1 HT1 GLU 1 4.650 17.022 -14.826 2 H2 GLU 1 HT2 GLU 1 4.310 18.242 -13.691 3 H3 GLU 1 HT3 GLU 1 3.453 18.182 -15.157 4 HA GLU 1 HA GLU 1 1.906 17.155 -13.996 5 HB2 GLU 1 HB2 GLU 1 2.913 15.352 -15.455 6 HB3 GLU 1 HB1 GLU 1 3.976 14.882 -14.082 7 HG2 GLU 1 HG2 GLU 1 1.973 14.261 -12.709 8 HG3 GLU 1 HG1 GLU 1 0.881 14.771 -14.056 9 H MET 2 HN MET 2 5.130 16.635 -12.454 10 HA MET 2 HA MET 2 3.727 16.836 -9.892 11 HB2 MET 2 HB2 MET 2 6.025 14.923 -10.567 12 HB3 MET 2 HB1 MET 2 5.501 15.324 -8.894 13 HG2 MET 2 HG2 MET 2 3.245 14.393 -9.347 14 HG3 MET 2 HG1 MET 2 3.709 14.039 -11.042 15 HE1 MET 2 HE1 MET 2 2.754 11.672 -10.666 16 HE2 MET 2 HE2 MET 2 2.385 12.096 -8.959 17 HE3 MET 2 HE3 MET 2 3.237 10.561 -9.339 18 H ARG 3 HN ARG 3 5.061 17.649 -8.166 19 HA ARG 3 HA ARG 3 7.267 19.183 -9.235 20 HB2 ARG 3 HB2 ARG 3 5.420 20.694 -8.593 21 HB3 ARG 3 HB1 ARG 3 5.295 19.834 -7.021 22 HG2 ARG 3 HG2 ARG 3 6.445 21.984 -6.703 23 HG3 ARG 3 HG1 ARG 3 7.580 20.627 -6.392 24 HD2 ARG 3 HD2 ARG 3 8.621 20.936 -8.646 25 HD3 ARG 3 HD1 ARG 3 7.433 22.264 -9.022 26 HE ARG 3 HE ARG 3 8.674 22.977 -6.572 27 HH11 ARG 3 HH11 ARG 3 9.586 22.283 -9.943 28 HH12 ARG 3 HH12 ARG 3 10.947 23.353 -9.959 29 HH21 ARG 3 HH21 ARG 3 10.528 24.433 -6.590 30 HH22 ARG 3 HH22 ARG 3 11.492 24.596 -8.019 31 H LEU 4 HN LEU 4 5.863 17.762 -6.355 32 HA LEU 4 HA LEU 4 8.287 17.695 -4.953 33 HB2 LEU 4 HB2 LEU 4 6.139 15.621 -4.491 34 HB3 LEU 4 HB1 LEU 4 7.063 16.570 -3.261 35 HG LEU 4 HG LEU 4 5.678 18.620 -4.171 36 HD11 LEU 4 HD11 LEU 4 4.499 16.426 -5.755 37 HD12 LEU 4 HD12 LEU 4 4.177 18.205 -5.840 38 HD13 LEU 4 HD13 LEU 4 3.251 17.171 -4.685 39 HD21 LEU 4 HD21 LEU 4 5.388 17.865 -1.902 40 HD22 LEU 4 HD22 LEU 4 4.563 16.344 -2.423 41 HD23 LEU 4 HD23 LEU 4 3.728 17.936 -2.608 42 H SER 5 HN SER 5 6.541 15.668 -7.245 43 HA SER 5 HA SER 5 7.045 13.776 -8.263 44 HB2 SER 5 HB2 SER 5 9.949 14.589 -7.644 45 HB3 SER 5 HB1 SER 5 9.504 13.190 -8.702 46 HG SER 5 HG SER 5 9.133 15.951 -9.077 47 H ORN 6 HN ORN 6 10.013 12.881 -6.642 48 HA ORN 6 HA ORN 6 8.424 11.013 -5.019 49 HB2 ORN 6 HB1 ORN 6 11.415 10.707 -5.567 50 HB3 ORN 6 HB2 ORN 6 10.227 10.167 -6.804 51 HG2 ORN 6 HG1 ORN 6 9.589 8.329 -5.587 52 HG3 ORN 6 HG2 ORN 6 9.622 9.213 -4.024 53 HD2 ORN 6 HD2 ORN 6 11.554 7.316 -5.024 54 HD3 ORN 6 HD1 ORN 6 12.374 8.928 -5.037 55 H PHE 7 HN PHE 7 9.332 13.944 -4.652 56 HA PHE 7 HA PHE 7 10.987 14.979 -3.347 57 HB2 PHE 7 HB2 PHE 7 9.348 15.449 -1.321 58 HB3 PHE 7 HB1 PHE 7 8.901 15.971 -2.957 59 HD1 PHE 7 HD1 PHE 7 7.787 14.503 -0.071 60 HD2 PHE 7 HD2 PHE 7 7.529 14.093 -4.257 61 HE1 PHE 7 HE1 PHE 7 5.652 13.444 0.169 62 HE2 PHE 7 HE2 PHE 7 5.368 13.036 -4.012 63 HZ PHE 7 HZ PHE 7 4.438 12.730 -1.757 64 H PHE 8 HN PHE 8 9.371 13.818 -0.591 65 HA PHE 8 HA PHE 8 11.743 12.297 0.146 66 HB2 PHE 8 HB2 PHE 8 10.402 13.448 2.515 67 HB3 PHE 8 HB1 PHE 8 12.103 13.767 1.944 68 HD1 PHE 8 HD1 PHE 8 8.718 14.758 1.942 69 HD2 PHE 8 HD2 PHE 8 12.534 15.450 0.338 70 HE1 PHE 8 HE1 PHE 8 7.865 16.705 0.815 71 HE2 PHE 8 HE2 PHE 8 11.711 17.441 -0.753 72 HZ PHE 8 HZ PHE 8 9.346 18.003 -0.549 73 H ARG 9 HN ARG 9 8.941 12.052 -1.024 74 HA ARG 9 HA ARG 9 7.132 10.870 0.654 75 HB2 ARG 9 HB2 ARG 9 6.892 11.481 -1.859 76 HB3 ARG 9 HB1 ARG 9 7.705 9.931 -2.204 77 HG2 ARG 9 HG2 ARG 9 5.907 8.654 -1.173 78 HG3 ARG 9 HG1 ARG 9 5.132 10.148 -0.538 79 HD2 ARG 9 HD2 ARG 9 4.646 10.923 -2.878 80 HD3 ARG 9 HD1 ARG 9 5.463 9.436 -3.539 81 HE ARG 9 HE ARG 9 3.494 8.529 -1.697 82 HH11 ARG 9 HH11 ARG 9 3.718 10.397 -4.722 83 HH12 ARG 9 HH12 ARG 9 2.164 9.914 -5.317 84 HH21 ARG 9 HH21 ARG 9 1.382 7.867 -2.508 85 HH22 ARG 9 HH22 ARG 9 0.814 8.450 -4.036 86 H ASN 10 HN ASN 10 10.048 9.483 -0.905 87 HA ASN 10 HA ASN 10 9.365 6.814 -0.489 88 HB2 ASN 10 HB2 ASN 10 12.100 8.205 -0.631 89 HB3 ASN 10 HB1 ASN 10 11.911 6.416 -0.522 90 HD21 ASN 10 HD21 ASN 10 12.102 9.117 -2.657 91 H PHE 11 HN PHE 11 10.261 9.362 1.762 92 HA PHE 11 HA PHE 11 10.669 7.275 3.791 93 HB2 PHE 11 HB2 PHE 11 11.542 10.233 3.813 94 HB3 PHE 11 HB1 PHE 11 11.710 9.102 5.210 95 HD1 PHE 11 HD1 PHE 11 13.029 10.143 1.976 96 HD2 PHE 11 HD2 PHE 11 13.310 7.267 5.095 97 HE1 PHE 11 HE1 PHE 11 15.229 9.453 1.145 98 HE2 PHE 11 HE2 PHE 11 15.510 6.581 4.261 99 HZ PHE 11 HZ PHE 11 16.471 7.672 2.287 100 H ILE 12 HN ILE 12 9.602 10.790 3.808 101 HA ILE 12 HA ILE 12 7.020 10.329 4.322 102 HB ILE 12 HB ILE 12 7.007 9.807 6.506 103 HG12 ILE 12 HG12 ILE 12 6.617 12.345 6.393 104 HG13 ILE 12 HG11 ILE 12 6.907 11.605 7.988 105 HG21 ILE 12 HG21 ILE 12 9.173 10.211 7.997 106 HG22 ILE 12 HG22 ILE 12 9.993 10.508 6.420 107 HG23 ILE 12 HG23 ILE 12 9.204 8.918 6.743 108 HD11 ILE 12 HD11 ILE 12 9.390 12.607 6.595 109 HD12 ILE 12 HD12 ILE 12 8.874 12.777 8.317 110 HD13 ILE 12 HD13 ILE 12 8.197 13.881 7.059 111 H LEU 13 HN LEU 13 6.069 12.368 4.304 112 HA LEU 13 HA LEU 13 8.030 14.462 3.844 113 HB2 LEU 13 HB2 LEU 13 6.874 15.159 1.964 114 HB3 LEU 13 HB1 LEU 13 6.606 13.377 1.917 115 HG LEU 13 HG LEU 13 4.595 15.116 3.368 116 HD11 LEU 13 HD11 LEU 13 3.895 14.794 0.525 117 HD12 LEU 13 HD12 LEU 13 5.425 15.751 0.717 118 HD13 LEU 13 HD13 LEU 13 3.907 16.277 1.556 119 HD21 LEU 13 HD21 LEU 13 3.947 12.810 1.494 120 HD22 LEU 13 HD22 LEU 13 3.185 13.284 3.057 121 HD23 LEU 13 HD23 LEU 13 4.770 12.422 3.058 122 H GLN 14 HN GLN 14 5.105 13.395 5.476 123 HA GLN 14 HA GLN 14 4.170 14.174 7.285 124 HB2 GLN 14 HB2 GLN 14 6.401 15.054 8.021 125 HB3 GLN 14 HB1 GLN 14 6.038 16.590 7.153 126 HG2 GLN 14 HG2 GLN 14 4.130 17.048 8.572 127 HG3 GLN 14 HG1 GLN 14 4.251 15.416 9.346 128 HE21 GLN 14 HE21 GLN 14 4.665 18.454 10.235 129 HE22 GLN 14 HE22 GLN 14 6.129 18.389 11.155 130 H ARG 15 HN ARG 15 4.777 16.737 4.835 131 HA ARG 15 HA ARG 15 2.640 18.305 5.648 132 HB2 ARG 15 HB2 ARG 15 4.156 18.075 3.030 133 HB3 ARG 15 HB1 ARG 15 2.696 19.122 3.134 134 HG2 ARG 15 HG2 ARG 15 4.472 20.611 3.602 135 HG3 ARG 15 HG1 ARG 15 3.824 20.198 5.226 136 HD2 ARG 15 HD2 ARG 15 5.734 18.271 5.131 137 HD3 ARG 15 HD1 ARG 15 6.488 19.417 3.946 138 HE ARG 15 HE ARG 15 6.046 19.885 6.854 139 HH11 ARG 15 HH11 ARG 15 6.815 21.207 3.627 140 HH12 ARG 15 HH12 ARG 15 7.599 22.629 4.229 141 HH21 ARG 15 HH21 ARG 15 7.115 21.820 7.663 142 HH22 ARG 15 HH22 ARG 15 7.773 22.982 6.561 143 H LYS 16 HN LYS 16 2.725 15.577 3.317 144 HA LYS 16 HA LYS 16 -0.069 16.062 2.776 145 HB2 LYS 16 HB2 LYS 16 1.221 15.336 0.847 146 HB3 LYS 16 HB1 LYS 16 1.935 13.986 1.778 147 HG2 LYS 16 HG2 LYS 16 -0.170 12.772 1.817 148 HG3 LYS 16 HG1 LYS 16 -1.064 14.187 1.150 149 HD2 LYS 16 HD2 LYS 16 -0.671 12.520 -0.620 150 HD3 LYS 16 HD1 LYS 16 0.261 14.018 -0.969 151 HE2 LYS 16 HE2 LYS 16 2.348 12.951 -0.084 152 HE3 LYS 16 HE1 LYS 16 1.415 11.446 0.309 153 HZ1 LYS 16 HZ1 LYS 16 2.396 11.079 -1.742 154 HZ2 LYS 16 HZ2 LYS 16 2.009 12.621 -2.346 155 HZ3 LYS 16 HZ3 LYS 16 0.785 11.466 -2.122 156 H LYS 17 HN LYS 17 1.839 14.489 5.130 157 HA LYS 17 HA LYS 17 -0.259 12.507 5.617 158 HB2 LYS 17 HB2 LYS 17 2.420 12.852 7.090 159 HB3 LYS 17 HB1 LYS 17 1.277 11.472 7.251 160 HG2 LYS 17 HG2 LYS 17 2.829 12.229 4.703 161 HG3 LYS 17 HG1 LYS 17 3.261 10.909 5.838 162 HD2 LYS 17 HD2 LYS 17 1.077 9.779 5.352 163 HD3 LYS 17 HD1 LYS 17 0.643 11.103 4.216 164 HE2 LYS 17 HE2 LYS 17 2.613 10.523 2.773 165 HE3 LYS 17 HE1 LYS 17 3.055 9.186 3.918 166 HZ1 LYS 17 HZ1 LYS 17 0.699 8.386 3.502 167 HZ2 LYS 17 HZ2 LYS 17 1.831 8.202 2.249 168 HZ3 LYS 17 HZ3 LYS 17 0.676 9.446 2.176
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