NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
4890 | 1g04 | 4650 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HN1 GLY 1 5.651 11.342 1.698 2 2H GLY 1 HN2 GLY 1 7.225 11.414 2.208 3 3H GLY 1 HN3 GLY 1 5.995 11.393 3.317 4 1HA GLY 1 1HA GLY 1 5.412 9.182 2.098 5 2HA GLY 1 2HA GLY 1 7.133 9.240 1.769 6 H ASN 2 H ASN 2 5.972 10.855 4.680 7 HA ASN 2 HA ASN 2 7.564 9.144 6.257 8 1HB ASN 2 1HB ASN 2 6.848 10.584 8.127 9 2HB ASN 2 2HB ASN 2 7.212 11.593 6.741 10 1HD2 ASN 2 1HD2 ASN 2 4.823 10.460 8.928 11 2HD2 ASN 2 2HD2 ASN 2 3.441 11.305 8.315 12 H ASP 3 H ASP 3 4.236 9.247 5.166 13 HA ASP 3 HA ASP 3 3.440 7.437 7.296 14 1HB ASP 3 1HB ASP 3 1.901 9.156 5.315 15 2HB ASP 3 2HB ASP 3 1.104 7.858 6.181 16 H TYR 4 H TYR 4 2.283 5.418 6.647 17 HA TYR 4 HA TYR 4 1.938 4.683 3.962 18 1HB TYR 4 1HB TYR 4 3.856 2.905 4.106 19 2HB TYR 4 2HB TYR 4 4.372 4.560 3.847 20 HD1 TYR 4 1HD TYR 4 5.608 5.773 5.541 21 HD2 TYR 4 2HD TYR 4 4.152 1.826 6.320 22 HE1 TYR 4 1HE TYR 4 7.082 5.629 7.607 23 HE2 TYR 4 2HE TYR 4 5.632 1.695 8.383 24 HH TYR 4 HH TYR 4 6.986 2.756 9.693 25 H GLU 5 H GLU 5 2.402 1.868 4.214 26 HA GLU 5 HA GLU 5 1.453 0.883 6.633 27 1HB GLU 5 1HB GLU 5 -0.602 1.854 4.775 28 2HB GLU 5 2HB GLU 5 -0.803 0.147 5.116 29 1HG GLU 5 1HG GLU 5 -0.246 2.004 7.431 30 2HG GLU 5 2HG GLU 5 -1.849 2.026 6.722 31 H ASP 6 H ASP 6 3.152 -0.615 6.239 32 HA ASP 6 HA ASP 6 3.056 -2.112 3.800 33 1HB ASP 6 1HB ASP 6 4.884 -1.987 6.211 34 2HB ASP 6 2HB ASP 6 4.987 -3.372 5.142 35 H ARG 7 H ARG 7 1.364 -3.640 3.795 36 HA ARG 7 HA ARG 7 1.556 -5.741 5.675 37 1HB ARG 7 1HB ARG 7 -0.322 -3.596 6.206 38 2HB ARG 7 2HB ARG 7 -1.239 -5.033 5.797 39 1HG ARG 7 1HG ARG 7 -0.283 -6.305 7.579 40 2HG ARG 7 2HG ARG 7 1.062 -5.198 7.773 41 1HD ARG 7 1HD ARG 7 -0.839 -3.427 8.352 42 2HD ARG 7 2HD ARG 7 -1.817 -4.848 8.656 43 HE ARG 7 HE ARG 7 -0.218 -5.533 10.390 44 1HH1 ARG 7 1HH1 ARG 7 0.753 -4.711 12.302 45 2HH1 ARG 7 2HH1 ARG 7 1.316 -3.074 12.345 46 1HH2 ARG 7 1HH2 ARG 7 0.463 -2.370 9.008 47 2HH2 ARG 7 2HH2 ARG 7 1.449 -1.873 10.342 48 H TYR 8 H TYR 8 -1.190 -4.314 3.751 49 HA TYR 8 HA TYR 8 -2.432 -6.270 2.670 50 1HB TYR 8 1HB TYR 8 -1.554 -3.663 1.851 51 2HB TYR 8 2HB TYR 8 -1.228 -4.686 0.466 52 HD1 TYR 8 1HD TYR 8 -3.636 -2.646 1.981 53 HD2 TYR 8 2HD TYR 8 -3.269 -6.323 -0.175 54 HE1 TYR 8 1HE TYR 8 -6.075 -2.488 1.283 55 HE2 TYR 8 2HE TYR 8 -5.710 -6.152 -0.867 56 HH TYR 8 HH TYR 8 -7.707 -3.421 0.230 57 H TYR 9 H TYR 9 -1.836 -8.337 2.212 58 HA TYR 9 HA TYR 9 0.627 -9.259 1.591 59 1HB TYR 9 1HB TYR 9 -1.050 -10.908 0.135 60 2HB TYR 9 2HB TYR 9 -0.965 -10.966 1.885 61 HD1 TYR 9 1HD TYR 9 -3.071 -10.367 -0.953 62 HD2 TYR 9 2HD TYR 9 -2.637 -9.522 3.219 63 HE1 TYR 9 1HE TYR 9 -5.541 -9.785 -0.806 64 HE2 TYR 9 2HE TYR 9 -5.109 -8.943 3.351 65 HH TYR 9 HH TYR 9 -7.186 -9.240 0.483 66 H ARG 10 H ARG 10 2.015 -8.448 0.077 67 HA ARG 10 HA ARG 10 0.950 -7.513 -2.396 68 1HB ARG 10 1HB ARG 10 3.825 -7.764 -1.376 69 2HB ARG 10 2HB ARG 10 3.390 -6.999 -2.891 70 1HG ARG 10 1HG ARG 10 3.270 -5.085 -1.644 71 2HG ARG 10 2HG ARG 10 1.689 -5.682 -1.180 72 1HD ARG 10 1HD ARG 10 2.422 -6.414 0.929 73 2HD ARG 10 2HD ARG 10 4.072 -6.660 0.393 74 HE ARG 10 HE ARG 10 4.536 -4.470 1.035 75 1HH1 ARG 10 1HH1 ARG 10 4.116 -2.243 1.386 76 2HH1 ARG 10 2HH1 ARG 10 2.477 -1.694 1.504 77 1HH2 ARG 10 1HH2 ARG 10 0.747 -3.101 0.827 78 2HH2 ARG 10 2HH2 ARG 10 1.058 -4.794 0.638 79 H GLU 11 H GLU 11 0.292 -9.150 -3.798 80 HA GLU 11 HA GLU 11 2.174 -11.351 -4.137 81 1HB GLU 11 1HB GLU 11 -0.460 -11.792 -5.333 82 2HB GLU 11 2HB GLU 11 0.414 -12.778 -4.178 83 1HG GLU 11 1HG GLU 11 -0.892 -10.203 -3.254 84 2HG GLU 11 2HG GLU 11 -1.874 -11.637 -3.478 85 H ASN 12 H ASN 12 -0.294 -9.416 -5.992 86 HA ASN 12 HA ASN 12 1.336 -8.400 -7.844 87 1HB ASN 12 1HB ASN 12 2.143 -10.407 -8.785 88 2HB ASN 12 2HB ASN 12 0.659 -11.281 -8.458 89 1HD2 ASN 12 1HD2 ASN 12 -0.258 -11.051 -11.784 90 2HD2 ASN 12 2HD2 ASN 12 0.038 -12.003 -10.368 91 H MET 13 H MET 13 -1.419 -10.685 -8.519 92 HA MET 13 HA MET 13 -2.879 -8.816 -9.930 93 1HB MET 13 1HB MET 13 -3.974 -11.215 -8.366 94 2HB MET 13 2HB MET 13 -4.680 -10.502 -9.802 95 1HG MET 13 1HG MET 13 -2.454 -11.091 -11.006 96 2HG MET 13 2HG MET 13 -2.071 -12.065 -9.601 97 1HE MET 13 1HE MET 13 -2.003 -14.366 -10.542 98 2HE MET 13 2HE MET 13 -3.113 -14.996 -11.783 99 3HE MET 13 3HE MET 13 -2.052 -13.617 -12.156 100 H TYR 14 H TYR 14 -5.524 -8.879 -8.962 101 HA TYR 14 HA TYR 14 -5.524 -6.728 -7.201 102 1HB TYR 14 1HB TYR 14 -7.321 -7.595 -8.841 103 2HB TYR 14 2HB TYR 14 -7.626 -8.920 -7.735 104 HD1 TYR 14 1HD TYR 14 -9.922 -7.442 -8.427 105 HD2 TYR 14 2HD TYR 14 -6.953 -6.431 -5.516 106 HE1 TYR 14 1HE TYR 14 -11.617 -6.013 -7.182 107 HE2 TYR 14 2HE TYR 14 -8.658 -5.006 -4.282 108 HH TYR 14 HH TYR 14 -12.004 -5.141 -5.039 109 H ARG 15 H ARG 15 -4.015 -7.475 -5.481 110 HA ARG 15 HA ARG 15 -5.539 -8.972 -3.514 111 1HB ARG 15 1HB ARG 15 -2.723 -9.461 -4.493 112 2HB ARG 15 2HB ARG 15 -3.047 -9.732 -2.793 113 1HG ARG 15 1HG ARG 15 -5.091 -10.891 -4.621 114 2HG ARG 15 2HG ARG 15 -3.493 -11.586 -4.801 115 1HD ARG 15 1HD ARG 15 -3.435 -11.922 -2.269 116 2HD ARG 15 2HD ARG 15 -5.105 -11.396 -2.212 117 HE ARG 15 HE ARG 15 -5.339 -13.352 -4.042 118 1HH1 ARG 15 1HH1 ARG 15 -3.084 -13.455 -1.350 119 2HH1 ARG 15 2HH1 ARG 15 -3.612 -15.010 -0.798 120 1HH2 ARG 15 1HH2 ARG 15 -5.763 -15.552 -3.542 121 2HH2 ARG 15 2HH2 ARG 15 -4.877 -16.325 -2.270 122 H TYR 16 H TYR 16 -3.956 -6.138 -4.434 123 HA TYR 16 HA TYR 16 -4.216 -4.936 -1.926 124 1HB TYR 16 1HB TYR 16 -2.018 -5.091 -1.082 125 2HB TYR 16 2HB TYR 16 -2.017 -6.583 -2.001 126 HD1 TYR 16 1HD TYR 16 -0.414 -3.435 -1.520 127 HD2 TYR 16 2HD TYR 16 -1.164 -6.449 -4.462 128 HE1 TYR 16 1HE TYR 16 1.555 -2.597 -2.892 129 HE2 TYR 16 2HE TYR 16 0.807 -5.601 -5.824 130 HH TYR 16 HH TYR 16 2.744 -2.849 -4.671 131 HA PRO 17 HA PRO 17 -3.873 -1.559 -4.678 132 1HB PRO 17 1HB PRO 17 -3.627 0.504 -2.811 133 2HB PRO 17 2HB PRO 17 -5.153 -0.242 -3.241 134 1HG PRO 17 1HG PRO 17 -3.572 -0.552 -0.763 135 2HG PRO 17 2HG PRO 17 -5.259 -0.931 -1.043 136 1HD PRO 17 1HD PRO 17 -3.083 -2.794 -0.894 137 2HD PRO 17 2HD PRO 17 -4.751 -3.160 -1.289 138 H ASN 18 H ASN 18 -1.833 -0.209 -2.074 139 HA ASN 18 HA ASN 18 0.553 -0.909 -3.384 140 1HB ASN 18 1HB ASN 18 0.795 1.915 -3.512 141 2HB ASN 18 2HB ASN 18 0.707 0.817 -4.875 142 1HD2 ASN 18 1HD2 ASN 18 -2.315 2.017 -6.014 143 2HD2 ASN 18 2HD2 ASN 18 -0.769 1.289 -6.296 144 H GLN 19 H GLN 19 -0.685 2.092 -1.713 145 HA GLN 19 HA GLN 19 -0.189 3.039 0.176 146 1HB GLN 19 1HB GLN 19 0.645 0.397 1.398 147 2HB GLN 19 2HB GLN 19 -0.197 1.734 2.155 148 1HG GLN 19 1HG GLN 19 -2.067 1.204 0.326 149 2HG GLN 19 2HG GLN 19 -1.285 -0.363 0.265 150 1HE2 GLN 19 1HE2 GLN 19 -1.892 -1.125 3.761 151 2HE2 GLN 19 2HE2 GLN 19 -0.465 -0.710 2.872 152 H VAL 20 H VAL 20 1.838 3.194 -1.711 153 HA VAL 20 HA VAL 20 4.155 3.356 0.031 154 HB VAL 20 HB VAL 20 5.544 2.368 -1.858 155 1HG1 VAL 20 1HG1 VAL 20 3.699 0.403 -0.471 156 2HG1 VAL 20 2HG1 VAL 20 5.391 0.159 -0.966 157 3HG1 VAL 20 3HG1 VAL 20 5.005 1.279 0.362 158 1HG2 VAL 20 1HG2 VAL 20 4.220 0.568 -3.147 159 2HG2 VAL 20 2HG2 VAL 20 2.778 1.528 -2.735 160 3HG2 VAL 20 3HG2 VAL 20 4.089 2.256 -3.696 161 H TYR 21 H TYR 21 3.629 5.638 -0.073 162 HA TYR 21 HA TYR 21 5.051 7.025 -1.990 163 1HB TYR 21 1HB TYR 21 2.753 8.054 -2.982 164 2HB TYR 21 2HB TYR 21 3.443 6.612 -3.698 165 HD1 TYR 21 1HD TYR 21 1.630 6.836 -0.444 166 HD2 TYR 21 2HD TYR 21 1.517 5.514 -4.511 167 HE1 TYR 21 1HE TYR 21 -0.524 5.569 0.020 168 HE2 TYR 21 2HE TYR 21 -0.637 4.251 -4.033 169 HH TYR 21 HH TYR 21 -1.924 3.447 -2.399 170 H TYR 22 H TYR 22 4.159 9.495 -2.046 171 HA TYR 22 HA TYR 22 3.762 10.127 0.773 172 1HB TYR 22 1HB TYR 22 4.181 12.493 -0.540 173 2HB TYR 22 2HB TYR 22 5.518 11.446 -0.106 174 HD1 TYR 22 1HD TYR 22 3.018 11.720 -2.904 175 HD2 TYR 22 2HD TYR 22 7.090 11.073 -1.762 176 HE1 TYR 22 1HE TYR 22 3.685 11.546 -5.352 177 HE2 TYR 22 2HE TYR 22 7.743 10.902 -4.213 178 HH TYR 22 HH TYR 22 5.356 10.692 -6.703 179 H ARG 23 H ARG 23 1.415 9.134 0.078 180 HA ARG 23 HA ARG 23 -0.145 11.461 -0.716 181 1HB ARG 23 1HB ARG 23 -0.272 8.615 -1.493 182 2HB ARG 23 2HB ARG 23 -1.824 9.203 -0.931 183 1HG ARG 23 1HG ARG 23 -2.112 10.087 -3.005 184 2HG ARG 23 2HG ARG 23 -0.926 11.297 -2.559 185 1HD ARG 23 1HD ARG 23 -0.167 10.313 -4.635 186 2HD ARG 23 2HD ARG 23 0.898 9.715 -3.379 187 HE ARG 23 HE ARG 23 -0.052 7.550 -3.593 188 1HH1 ARG 23 1HH1 ARG 23 -3.095 8.591 -5.950 189 2HH1 ARG 23 2HH1 ARG 23 -2.072 9.855 -5.354 190 1HH2 ARG 23 1HH2 ARG 23 -2.054 6.487 -6.267 191 2HH2 ARG 23 2HH2 ARG 23 -0.765 6.036 -5.202 192 HA PRO 24 HA PRO 24 -2.127 9.264 3.078 193 1HB PRO 24 1HB PRO 24 -0.421 7.591 4.524 194 2HB PRO 24 2HB PRO 24 -1.563 7.015 3.327 195 1HG PRO 24 1HG PRO 24 1.378 7.229 3.130 196 2HG PRO 24 2HG PRO 24 0.278 6.285 2.146 197 1HD PRO 24 1HD PRO 24 1.541 8.756 1.419 198 2HD PRO 24 2HD PRO 24 0.352 7.871 0.483 199 H VAL 25 H VAL 25 0.300 11.260 2.605 200 HA VAL 25 HA VAL 25 0.883 11.759 5.415 201 HB VAL 25 HB VAL 25 2.468 13.409 4.509 202 1HG1 VAL 25 1HG1 VAL 25 4.078 11.833 3.669 203 2HG1 VAL 25 2HG1 VAL 25 3.081 11.005 4.890 204 3HG1 VAL 25 3HG1 VAL 25 2.793 10.712 3.158 205 1HG2 VAL 25 1HG2 VAL 25 1.524 12.418 1.797 206 2HG2 VAL 25 2HG2 VAL 25 1.274 14.046 2.473 207 3HG2 VAL 25 3HG2 VAL 25 2.919 13.486 2.085 208 H CYS 26 H CYS 26 -1.237 12.741 2.823 209 HA CYS 26 HA CYS 26 -1.666 15.378 3.380 210 1HB CYS 26 1HB CYS 26 -2.655 14.223 1.461 211 2HB CYS 26 2HB CYS 26 -3.693 13.288 2.519 212 HG CYS 26 HG CYS 26 -5.273 15.016 3.236 Start of MODEL 2 1 1H GLY 1 HN1 GLY 1 5.265 10.502 1.586 2 2H GLY 1 HN2 GLY 1 6.683 11.136 2.162 3 3H GLY 1 HN3 GLY 1 5.494 10.671 3.217 4 1HA GLY 1 1HA GLY 1 5.839 8.413 1.927 5 2HA GLY 1 2HA GLY 1 7.448 9.099 1.823 6 H ASN 2 H ASN 2 6.152 10.537 4.535 7 HA ASN 2 HA ASN 2 7.669 8.834 6.221 8 1HB ASN 2 1HB ASN 2 7.094 10.468 7.985 9 2HB ASN 2 2HB ASN 2 7.555 11.328 6.529 10 1HD2 ASN 2 1HD2 ASN 2 5.087 10.661 8.808 11 2HD2 ASN 2 2HD2 ASN 2 3.742 11.450 8.054 12 H ASP 3 H ASP 3 4.556 8.700 4.912 13 HA ASP 3 HA ASP 3 3.599 7.206 7.226 14 1HB ASP 3 1HB ASP 3 2.203 9.187 5.423 15 2HB ASP 3 2HB ASP 3 1.263 7.850 6.056 16 H TYR 4 H TYR 4 2.641 5.152 6.704 17 HA TYR 4 HA TYR 4 1.934 4.496 4.022 18 1HB TYR 4 1HB TYR 4 3.784 2.570 4.177 19 2HB TYR 4 2HB TYR 4 4.281 4.163 3.642 20 HD1 TYR 4 1HD TYR 4 5.779 5.512 4.952 21 HD2 TYR 4 2HD TYR 4 4.268 1.829 6.519 22 HE1 TYR 4 1HE TYR 4 7.485 5.605 6.835 23 HE2 TYR 4 2HE TYR 4 5.979 1.934 8.396 24 HH TYR 4 HH TYR 4 7.541 3.087 9.342 25 H GLU 5 H GLU 5 2.364 1.638 4.302 26 HA GLU 5 HA GLU 5 1.425 0.766 6.783 27 1HB GLU 5 1HB GLU 5 -0.610 1.638 4.846 28 2HB GLU 5 2HB GLU 5 -0.824 -0.040 5.306 29 1HG GLU 5 1HG GLU 5 -0.263 1.961 7.494 30 2HG GLU 5 2HG GLU 5 -1.858 1.969 6.768 31 H ASP 6 H ASP 6 3.221 -0.667 6.365 32 HA ASP 6 HA ASP 6 3.178 -2.267 4.031 33 1HB ASP 6 1HB ASP 6 4.826 -2.154 6.568 34 2HB ASP 6 2HB ASP 6 4.967 -3.560 5.532 35 H ARG 7 H ARG 7 1.467 -3.765 3.909 36 HA ARG 7 HA ARG 7 1.465 -5.858 5.792 37 1HB ARG 7 1HB ARG 7 -0.409 -3.651 6.190 38 2HB ARG 7 2HB ARG 7 -1.298 -5.117 5.826 39 1HG ARG 7 1HG ARG 7 -0.410 -6.282 7.701 40 2HG ARG 7 2HG ARG 7 0.954 -5.193 7.856 41 1HD ARG 7 1HD ARG 7 -0.990 -3.374 8.268 42 2HD ARG 7 2HD ARG 7 -1.904 -4.793 8.739 43 HE ARG 7 HE ARG 7 -0.484 -5.093 10.612 44 1HH1 ARG 7 1HH1 ARG 7 0.966 -4.264 12.179 45 2HH1 ARG 7 2HH1 ARG 7 2.118 -3.055 11.721 46 1HH2 ARG 7 1HH2 ARG 7 0.664 -2.462 8.570 47 2HH2 ARG 7 2HH2 ARG 7 1.993 -2.074 9.611 48 H TYR 8 H TYR 8 -1.301 -4.457 3.910 49 HA TYR 8 HA TYR 8 -2.483 -6.334 2.717 50 1HB TYR 8 1HB TYR 8 -1.533 -3.734 1.947 51 2HB TYR 8 2HB TYR 8 -1.205 -4.752 0.559 52 HD1 TYR 8 1HD TYR 8 -3.568 -2.629 1.979 53 HD2 TYR 8 2HD TYR 8 -3.295 -6.378 -0.063 54 HE1 TYR 8 1HE TYR 8 -5.991 -2.411 1.239 55 HE2 TYR 8 2HE TYR 8 -5.719 -6.147 -0.797 56 HH TYR 8 HH TYR 8 -7.698 -3.451 0.347 57 H TYR 9 H TYR 9 -1.835 -8.416 2.352 58 HA TYR 9 HA TYR 9 0.616 -9.344 1.746 59 1HB TYR 9 1HB TYR 9 -1.040 -10.998 0.276 60 2HB TYR 9 2HB TYR 9 -0.986 -11.044 2.027 61 HD1 TYR 9 1HD TYR 9 -3.029 -10.410 -0.863 62 HD2 TYR 9 2HD TYR 9 -2.690 -9.637 3.331 63 HE1 TYR 9 1HE TYR 9 -5.500 -9.823 -0.764 64 HE2 TYR 9 2HE TYR 9 -5.163 -9.053 3.416 65 HH TYR 9 HH TYR 9 -7.224 -9.528 0.611 66 H ARG 10 H ARG 10 2.021 -8.511 0.255 67 HA ARG 10 HA ARG 10 1.017 -7.556 -2.220 68 1HB ARG 10 1HB ARG 10 3.823 -7.877 -1.062 69 2HB ARG 10 2HB ARG 10 3.562 -7.280 -2.689 70 1HG ARG 10 1HG ARG 10 3.442 -5.225 -1.690 71 2HG ARG 10 2HG ARG 10 1.799 -5.691 -1.295 72 1HD ARG 10 1HD ARG 10 2.343 -6.249 0.937 73 2HD ARG 10 2HD ARG 10 4.031 -6.535 0.567 74 HE ARG 10 HE ARG 10 4.464 -4.211 0.718 75 1HH1 ARG 10 1HH1 ARG 10 3.921 -2.060 1.295 76 2HH1 ARG 10 2HH1 ARG 10 2.256 -1.606 1.436 77 1HH2 ARG 10 1HH2 ARG 10 0.605 -3.249 1.389 78 2HH2 ARG 10 2HH2 ARG 10 1.054 -4.912 1.206 79 H GLU 11 H GLU 11 0.344 -9.089 -3.714 80 HA GLU 11 HA GLU 11 2.111 -11.385 -4.052 81 1HB GLU 11 1HB GLU 11 -0.546 -11.680 -5.256 82 2HB GLU 11 2HB GLU 11 0.295 -12.741 -4.143 83 1HG GLU 11 1HG GLU 11 -0.878 -10.146 -3.111 84 2HG GLU 11 2HG GLU 11 -1.939 -11.513 -3.391 85 H ASN 12 H ASN 12 -0.300 -9.376 -5.905 86 HA ASN 12 HA ASN 12 1.345 -8.338 -7.720 87 1HB ASN 12 1HB ASN 12 2.199 -10.319 -8.670 88 2HB ASN 12 2HB ASN 12 0.728 -11.223 -8.371 89 1HD2 ASN 12 1HD2 ASN 12 -0.061 -11.014 -11.731 90 2HD2 ASN 12 2HD2 ASN 12 -0.003 -11.901 -10.245 91 H MET 13 H MET 13 -1.405 -10.653 -8.351 92 HA MET 13 HA MET 13 -2.852 -8.815 -9.834 93 1HB MET 13 1HB MET 13 -3.791 -11.279 -8.260 94 2HB MET 13 2HB MET 13 -4.717 -10.503 -9.529 95 1HG MET 13 1HG MET 13 -2.700 -10.926 -11.088 96 2HG MET 13 2HG MET 13 -2.039 -11.936 -9.818 97 1HE MET 13 1HE MET 13 -1.957 -14.115 -10.684 98 2HE MET 13 2HE MET 13 -3.206 -14.984 -11.608 99 3HE MET 13 3HE MET 13 -2.356 -13.603 -12.341 100 H TYR 14 H TYR 14 -5.513 -8.917 -8.863 101 HA TYR 14 HA TYR 14 -5.536 -6.723 -7.142 102 1HB TYR 14 1HB TYR 14 -7.318 -7.589 -8.782 103 2HB TYR 14 2HB TYR 14 -7.612 -8.935 -7.698 104 HD1 TYR 14 1HD TYR 14 -9.916 -7.455 -8.401 105 HD2 TYR 14 2HD TYR 14 -7.000 -6.495 -5.421 106 HE1 TYR 14 1HE TYR 14 -11.641 -6.071 -7.149 107 HE2 TYR 14 2HE TYR 14 -8.736 -5.114 -4.178 108 HH TYR 14 HH TYR 14 -12.093 -5.013 -5.292 109 H ARG 15 H ARG 15 -4.044 -7.438 -5.396 110 HA ARG 15 HA ARG 15 -5.581 -8.915 -3.425 111 1HB ARG 15 1HB ARG 15 -2.733 -9.390 -4.337 112 2HB ARG 15 2HB ARG 15 -3.130 -9.695 -2.657 113 1HG ARG 15 1HG ARG 15 -5.055 -10.821 -4.652 114 2HG ARG 15 2HG ARG 15 -3.455 -11.538 -4.666 115 1HD ARG 15 1HD ARG 15 -3.611 -12.046 -2.252 116 2HD ARG 15 2HD ARG 15 -5.148 -11.212 -2.141 117 HE ARG 15 HE ARG 15 -6.132 -12.958 -3.598 118 1HH1 ARG 15 1HH1 ARG 15 -2.970 -13.638 -2.213 119 2HH1 ARG 15 2HH1 ARG 15 -3.135 -15.356 -2.360 120 1HH2 ARG 15 1HH2 ARG 15 -6.239 -15.211 -4.013 121 2HH2 ARG 15 2HH2 ARG 15 -5.063 -16.261 -3.295 122 H TYR 16 H TYR 16 -3.988 -6.094 -4.368 123 HA TYR 16 HA TYR 16 -4.284 -4.845 -1.894 124 1HB TYR 16 1HB TYR 16 -2.115 -5.014 -0.984 125 2HB TYR 16 2HB TYR 16 -2.098 -6.516 -1.887 126 HD1 TYR 16 1HD TYR 16 -0.476 -3.388 -1.382 127 HD2 TYR 16 2HD TYR 16 -1.186 -6.403 -4.334 128 HE1 TYR 16 1HE TYR 16 1.539 -2.578 -2.705 129 HE2 TYR 16 2HE TYR 16 0.831 -5.583 -5.646 130 HH TYR 16 HH TYR 16 2.822 -2.912 -4.409 131 HA PRO 17 HA PRO 17 -3.825 -1.522 -4.694 132 1HB PRO 17 1HB PRO 17 -3.578 0.572 -2.860 133 2HB PRO 17 2HB PRO 17 -5.108 -0.157 -3.305 134 1HG PRO 17 1HG PRO 17 -3.579 -0.447 -0.792 135 2HG PRO 17 2HG PRO 17 -5.267 -0.803 -1.097 136 1HD PRO 17 1HD PRO 17 -3.127 -2.699 -0.874 137 2HD PRO 17 2HD PRO 17 -4.793 -3.044 -1.293 138 H ASN 18 H ASN 18 -1.833 -0.082 -2.114 139 HA ASN 18 HA ASN 18 0.575 -0.870 -3.356 140 1HB ASN 18 1HB ASN 18 0.859 1.946 -3.530 141 2HB ASN 18 2HB ASN 18 0.771 0.826 -4.875 142 1HD2 ASN 18 1HD2 ASN 18 -2.213 2.046 -6.077 143 2HD2 ASN 18 2HD2 ASN 18 -0.817 1.038 -6.266 144 H GLN 19 H GLN 19 -0.599 2.208 -1.786 145 HA GLN 19 HA GLN 19 -0.120 3.179 0.095 146 1HB GLN 19 1HB GLN 19 0.571 0.507 1.358 147 2HB GLN 19 2HB GLN 19 -0.155 1.910 2.118 148 1HG GLN 19 1HG GLN 19 -2.069 1.497 0.279 149 2HG GLN 19 2HG GLN 19 -1.427 -0.133 0.296 150 1HE2 GLN 19 1HE2 GLN 19 -2.137 -0.699 3.805 151 2HE2 GLN 19 2HE2 GLN 19 -0.702 -0.574 2.843 152 H VAL 20 H VAL 20 1.926 3.374 -1.678 153 HA VAL 20 HA VAL 20 4.222 3.404 0.090 154 HB VAL 20 HB VAL 20 5.644 2.389 -1.697 155 1HG1 VAL 20 1HG1 VAL 20 3.524 0.497 -0.633 156 2HG1 VAL 20 2HG1 VAL 20 5.217 0.121 -1.036 157 3HG1 VAL 20 3HG1 VAL 20 4.844 1.171 0.352 158 1HG2 VAL 20 1HG2 VAL 20 3.905 0.715 -3.055 159 2HG2 VAL 20 2HG2 VAL 20 3.053 2.278 -3.063 160 3HG2 VAL 20 3HG2 VAL 20 4.703 2.161 -3.720 161 H TYR 21 H TYR 21 3.528 5.706 -0.032 162 HA TYR 21 HA TYR 21 5.093 7.111 -1.873 163 1HB TYR 21 1HB TYR 21 2.791 8.198 -2.836 164 2HB TYR 21 2HB TYR 21 3.510 6.801 -3.613 165 HD1 TYR 21 1HD TYR 21 1.590 6.939 -0.404 166 HD2 TYR 21 2HD TYR 21 1.673 5.623 -4.474 167 HE1 TYR 21 1HE TYR 21 -0.552 5.622 -0.030 168 HE2 TYR 21 2HE TYR 21 -0.469 4.311 -4.086 169 HH TYR 21 HH TYR 21 -1.859 3.546 -2.572 170 H TYR 22 H TYR 22 3.875 9.584 -1.969 171 HA TYR 22 HA TYR 22 3.601 10.173 0.891 172 1HB TYR 22 1HB TYR 22 4.032 12.562 -0.311 173 2HB TYR 22 2HB TYR 22 5.375 11.477 -0.012 174 HD1 TYR 22 1HD TYR 22 2.730 11.860 -2.662 175 HD2 TYR 22 2HD TYR 22 6.874 11.293 -1.762 176 HE1 TYR 22 1HE TYR 22 3.275 11.839 -5.145 177 HE2 TYR 22 2HE TYR 22 7.404 11.274 -4.248 178 HH TYR 22 HH TYR 22 4.832 11.789 -6.643 179 H ARG 23 H ARG 23 1.287 9.099 -0.158 180 HA ARG 23 HA ARG 23 -0.299 11.438 -0.824 181 1HB ARG 23 1HB ARG 23 -0.474 8.521 -1.474 182 2HB ARG 23 2HB ARG 23 -2.011 9.301 -1.156 183 1HG ARG 23 1HG ARG 23 -1.903 9.879 -3.372 184 2HG ARG 23 2HG ARG 23 -0.879 11.178 -2.795 185 1HD ARG 23 1HD ARG 23 0.515 10.273 -4.432 186 2HD ARG 23 2HD ARG 23 1.062 9.358 -3.041 187 HE ARG 23 HE ARG 23 -0.198 7.442 -3.813 188 1HH1 ARG 23 1HH1 ARG 23 -0.981 9.262 -7.325 189 2HH1 ARG 23 2HH1 ARG 23 -0.224 10.160 -6.052 190 1HH2 ARG 23 1HH2 ARG 23 -1.002 6.911 -7.154 191 2HH2 ARG 23 2HH2 ARG 23 -1.088 6.234 -5.562 192 HA PRO 24 HA PRO 24 -2.332 9.215 2.926 193 1HB PRO 24 1HB PRO 24 -0.650 7.530 4.388 194 2HB PRO 24 2HB PRO 24 -1.772 6.964 3.167 195 1HG PRO 24 1HG PRO 24 1.172 7.178 3.021 196 2HG PRO 24 2HG PRO 24 0.088 6.242 2.011 197 1HD PRO 24 1HD PRO 24 1.363 8.718 1.325 198 2HD PRO 24 2HD PRO 24 0.190 7.841 0.363 199 H VAL 25 H VAL 25 0.002 11.274 2.503 200 HA VAL 25 HA VAL 25 0.613 11.721 5.317 201 HB VAL 25 HB VAL 25 2.164 13.399 4.460 202 1HG1 VAL 25 1HG1 VAL 25 3.682 11.847 3.200 203 2HG1 VAL 25 2HG1 VAL 25 3.026 11.169 4.710 204 3HG1 VAL 25 3HG1 VAL 25 2.346 10.672 3.142 205 1HG2 VAL 25 1HG2 VAL 25 1.163 12.582 1.711 206 2HG2 VAL 25 2HG2 VAL 25 0.904 14.155 2.503 207 3HG2 VAL 25 3HG2 VAL 25 2.547 13.652 2.039 208 H CYS 26 H CYS 26 -1.701 12.553 2.913 209 HA CYS 26 HA CYS 26 -2.153 15.226 3.646 210 1HB CYS 26 1HB CYS 26 -2.909 14.029 1.517 211 2HB CYS 26 2HB CYS 26 -4.209 13.339 2.469 212 HG CYS 26 HG CYS 26 -5.464 15.395 3.049 Start of MODEL 3 1 1H GLY 1 HN1 GLY 1 5.112 10.742 1.777 2 2H GLY 1 HN2 GLY 1 6.635 11.318 2.080 3 3H GLY 1 HN3 GLY 1 5.657 10.865 3.336 4 1HA GLY 1 1HA GLY 1 5.740 8.667 1.781 5 2HA GLY 1 2HA GLY 1 7.370 9.306 1.719 6 H ASN 2 H ASN 2 6.489 10.608 4.544 7 HA ASN 2 HA ASN 2 7.841 8.657 6.032 8 1HB ASN 2 1HB ASN 2 7.240 10.150 7.989 9 2HB ASN 2 2HB ASN 2 7.982 11.023 6.663 10 1HD2 ASN 2 1HD2 ASN 2 5.325 10.782 8.730 11 2HD2 ASN 2 2HD2 ASN 2 4.123 11.678 7.863 12 H ASP 3 H ASP 3 4.598 8.994 4.941 13 HA ASP 3 HA ASP 3 3.630 7.371 7.160 14 1HB ASP 3 1HB ASP 3 2.483 9.604 5.619 15 2HB ASP 3 2HB ASP 3 1.414 8.216 5.630 16 H TYR 4 H TYR 4 2.481 5.399 6.604 17 HA TYR 4 HA TYR 4 1.752 4.757 3.960 18 1HB TYR 4 1HB TYR 4 3.600 2.843 3.944 19 2HB TYR 4 2HB TYR 4 4.094 4.459 3.478 20 HD1 TYR 4 1HD TYR 4 5.673 5.707 4.786 21 HD2 TYR 4 2HD TYR 4 4.146 1.983 6.238 22 HE1 TYR 4 1HE TYR 4 7.449 5.679 6.605 23 HE2 TYR 4 2HE TYR 4 5.927 1.969 8.053 24 HH TYR 4 HH TYR 4 7.580 3.014 8.956 25 H GLU 5 H GLU 5 2.227 1.888 4.182 26 HA GLU 5 HA GLU 5 1.399 0.976 6.685 27 1HB GLU 5 1HB GLU 5 -0.725 1.877 4.868 28 2HB GLU 5 2HB GLU 5 -0.909 0.183 5.280 29 1HG GLU 5 1HG GLU 5 -0.255 2.087 7.521 30 2HG GLU 5 2HG GLU 5 -1.874 2.157 6.852 31 H ASP 6 H ASP 6 3.133 -0.489 6.229 32 HA ASP 6 HA ASP 6 2.979 -2.057 3.858 33 1HB ASP 6 1HB ASP 6 4.781 -2.085 6.314 34 2HB ASP 6 2HB ASP 6 4.933 -3.291 5.051 35 H ARG 7 H ARG 7 1.223 -3.523 3.900 36 HA ARG 7 HA ARG 7 1.401 -5.607 5.816 37 1HB ARG 7 1HB ARG 7 -0.474 -3.434 6.257 38 2HB ARG 7 2HB ARG 7 -1.387 -4.883 5.887 39 1HG ARG 7 1HG ARG 7 -0.428 -6.101 7.715 40 2HG ARG 7 2HG ARG 7 0.888 -4.958 7.902 41 1HD ARG 7 1HD ARG 7 -0.908 -3.192 8.497 42 2HD ARG 7 2HD ARG 7 -2.052 -4.516 8.587 43 HE ARG 7 HE ARG 7 -0.782 -5.457 10.448 44 1HH1 ARG 7 1HH1 ARG 7 0.213 -4.942 12.445 45 2HH1 ARG 7 2HH1 ARG 7 0.966 -3.397 12.660 46 1HH2 ARG 7 1HH2 ARG 7 0.535 -2.405 9.306 47 2HH2 ARG 7 2HH2 ARG 7 1.177 -1.953 10.850 48 H TYR 8 H TYR 8 -1.246 -4.166 3.762 49 HA TYR 8 HA TYR 8 -2.499 -6.171 2.729 50 1HB TYR 8 1HB TYR 8 -1.641 -3.566 1.890 51 2HB TYR 8 2HB TYR 8 -1.285 -4.600 0.520 52 HD1 TYR 8 1HD TYR 8 -3.754 -2.606 2.036 53 HD2 TYR 8 2HD TYR 8 -3.280 -6.233 -0.184 54 HE1 TYR 8 1HE TYR 8 -6.185 -2.484 1.304 55 HE2 TYR 8 2HE TYR 8 -5.713 -6.098 -0.908 56 HH TYR 8 HH TYR 8 -7.842 -3.595 0.381 57 H TYR 9 H TYR 9 -1.886 -8.237 2.293 58 HA TYR 9 HA TYR 9 0.591 -9.147 1.709 59 1HB TYR 9 1HB TYR 9 -1.095 -10.796 0.229 60 2HB TYR 9 2HB TYR 9 -0.956 -10.889 1.973 61 HD1 TYR 9 1HD TYR 9 -3.146 -10.221 -0.792 62 HD2 TYR 9 2HD TYR 9 -2.602 -9.513 3.392 63 HE1 TYR 9 1HE TYR 9 -5.615 -9.661 -0.558 64 HE2 TYR 9 2HE TYR 9 -5.073 -8.956 3.612 65 HH TYR 9 HH TYR 9 -6.929 -8.066 1.316 66 H ARG 10 H ARG 10 2.016 -8.497 0.170 67 HA ARG 10 HA ARG 10 0.971 -7.526 -2.309 68 1HB ARG 10 1HB ARG 10 3.823 -7.786 -1.231 69 2HB ARG 10 2HB ARG 10 3.444 -7.085 -2.792 70 1HG ARG 10 1HG ARG 10 3.310 -5.113 -1.643 71 2HG ARG 10 2HG ARG 10 1.714 -5.671 -1.185 72 1HD ARG 10 1HD ARG 10 2.364 -6.218 0.981 73 2HD ARG 10 2HD ARG 10 3.988 -6.668 0.501 74 HE ARG 10 HE ARG 10 4.676 -4.473 0.905 75 1HH1 ARG 10 1HH1 ARG 10 4.435 -2.222 1.256 76 2HH1 ARG 10 2HH1 ARG 10 2.849 -1.557 1.460 77 1HH2 ARG 10 1HH2 ARG 10 1.003 -2.825 0.739 78 2HH2 ARG 10 2HH2 ARG 10 1.156 -4.550 0.780 79 H GLU 11 H GLU 11 0.324 -9.143 -3.730 80 HA GLU 11 HA GLU 11 2.166 -11.386 -4.015 81 1HB GLU 11 1HB GLU 11 -0.435 -11.827 -5.255 82 2HB GLU 11 2HB GLU 11 0.379 -12.775 -4.027 83 1HG GLU 11 1HG GLU 11 -0.869 -10.146 -3.213 84 2HG GLU 11 2HG GLU 11 -1.926 -11.513 -3.505 85 H ASN 12 H ASN 12 -0.249 -9.437 -5.925 86 HA ASN 12 HA ASN 12 1.424 -8.459 -7.762 87 1HB ASN 12 1HB ASN 12 2.219 -10.452 -8.712 88 2HB ASN 12 2HB ASN 12 0.759 -11.343 -8.329 89 1HD2 ASN 12 1HD2 ASN 12 0.077 -11.258 -11.748 90 2HD2 ASN 12 2HD2 ASN 12 0.271 -12.155 -10.279 91 H MET 13 H MET 13 -1.351 -10.712 -8.461 92 HA MET 13 HA MET 13 -2.764 -8.835 -9.908 93 1HB MET 13 1HB MET 13 -3.818 -11.262 -8.351 94 2HB MET 13 2HB MET 13 -4.638 -10.490 -9.694 95 1HG MET 13 1HG MET 13 -2.663 -11.049 -11.174 96 2HG MET 13 2HG MET 13 -1.924 -11.893 -9.829 97 1HE MET 13 1HE MET 13 -1.875 -13.774 -11.805 98 2HE MET 13 2HE MET 13 -3.330 -14.622 -12.382 99 3HE MET 13 3HE MET 13 -3.018 -12.944 -12.888 100 H TYR 14 H TYR 14 -5.432 -8.889 -8.960 101 HA TYR 14 HA TYR 14 -5.418 -6.717 -7.208 102 1HB TYR 14 1HB TYR 14 -7.209 -7.463 -8.871 103 2HB TYR 14 2HB TYR 14 -7.526 -8.868 -7.872 104 HD1 TYR 14 1HD TYR 14 -9.854 -7.472 -8.420 105 HD2 TYR 14 2HD TYR 14 -6.871 -6.426 -5.537 106 HE1 TYR 14 1HE TYR 14 -11.579 -6.147 -7.105 107 HE2 TYR 14 2HE TYR 14 -8.607 -5.105 -4.231 108 HH TYR 14 HH TYR 14 -11.854 -4.639 -5.510 109 H ARG 15 H ARG 15 -4.009 -7.436 -5.425 110 HA ARG 15 HA ARG 15 -5.600 -8.921 -3.509 111 1HB ARG 15 1HB ARG 15 -2.790 -9.504 -4.439 112 2HB ARG 15 2HB ARG 15 -3.132 -9.737 -2.736 113 1HG ARG 15 1HG ARG 15 -5.163 -10.869 -4.619 114 2HG ARG 15 2HG ARG 15 -3.589 -11.639 -4.659 115 1HD ARG 15 1HD ARG 15 -3.690 -11.955 -2.169 116 2HD ARG 15 2HD ARG 15 -5.275 -11.206 -2.144 117 HE ARG 15 HE ARG 15 -6.205 -13.125 -3.223 118 1HH1 ARG 15 1HH1 ARG 15 -2.862 -13.640 -2.231 119 2HH1 ARG 15 2HH1 ARG 15 -2.639 -14.982 -3.303 120 1HH2 ARG 15 1HH2 ARG 15 -6.093 -15.286 -4.004 121 2HH2 ARG 15 2HH2 ARG 15 -4.660 -16.214 -3.710 122 H TYR 16 H TYR 16 -3.821 -6.166 -4.400 123 HA TYR 16 HA TYR 16 -4.121 -4.959 -1.875 124 1HB TYR 16 1HB TYR 16 -1.925 -5.163 -1.036 125 2HB TYR 16 2HB TYR 16 -1.949 -6.643 -1.974 126 HD1 TYR 16 1HD TYR 16 -0.299 -3.524 -1.459 127 HD2 TYR 16 2HD TYR 16 -1.094 -6.497 -4.431 128 HE1 TYR 16 1HE TYR 16 1.681 -2.700 -2.824 129 HE2 TYR 16 2HE TYR 16 0.889 -5.663 -5.785 130 HH TYR 16 HH TYR 16 2.634 -2.765 -4.829 131 HA PRO 17 HA PRO 17 -3.746 -1.585 -4.632 132 1HB PRO 17 1HB PRO 17 -3.582 0.473 -2.750 133 2HB PRO 17 2HB PRO 17 -5.086 -0.285 -3.234 134 1HG PRO 17 1HG PRO 17 -3.587 -0.590 -0.705 135 2HG PRO 17 2HG PRO 17 -5.261 -0.983 -1.044 136 1HD PRO 17 1HD PRO 17 -3.075 -2.828 -0.827 137 2HD PRO 17 2HD PRO 17 -4.725 -3.207 -1.280 138 H ASN 18 H ASN 18 -1.808 -0.228 -1.954 139 HA ASN 18 HA ASN 18 0.631 -0.911 -3.157 140 1HB ASN 18 1HB ASN 18 0.847 1.914 -3.339 141 2HB ASN 18 2HB ASN 18 0.835 0.783 -4.678 142 1HD2 ASN 18 1HD2 ASN 18 -1.984 2.230 -6.003 143 2HD2 ASN 18 2HD2 ASN 18 -0.608 1.193 -6.180 144 H GLN 19 H GLN 19 -0.563 2.201 -1.683 145 HA GLN 19 HA GLN 19 -0.213 3.161 0.232 146 1HB GLN 19 1HB GLN 19 0.639 0.572 1.551 147 2HB GLN 19 2HB GLN 19 -0.262 1.908 2.241 148 1HG GLN 19 1HG GLN 19 -1.962 1.187 0.207 149 2HG GLN 19 2HG GLN 19 -1.229 -0.366 0.555 150 1HE2 GLN 19 1HE2 GLN 19 -2.445 -0.650 3.890 151 2HE2 GLN 19 2HE2 GLN 19 -0.943 -0.744 3.032 152 H VAL 20 H VAL 20 1.897 3.162 -1.653 153 HA VAL 20 HA VAL 20 4.155 3.444 0.171 154 HB VAL 20 HB VAL 20 5.613 2.444 -1.631 155 1HG1 VAL 20 1HG1 VAL 20 3.649 0.539 -0.313 156 2HG1 VAL 20 2HG1 VAL 20 5.310 0.174 -0.841 157 3HG1 VAL 20 3HG1 VAL 20 5.032 1.305 0.506 158 1HG2 VAL 20 1HG2 VAL 20 4.483 0.761 -3.114 159 2HG2 VAL 20 2HG2 VAL 20 2.922 1.476 -2.644 160 3HG2 VAL 20 3HG2 VAL 20 4.124 2.457 -3.516 161 H TYR 21 H TYR 21 3.546 5.719 0.021 162 HA TYR 21 HA TYR 21 5.012 7.104 -1.883 163 1HB TYR 21 1HB TYR 21 2.689 8.106 -2.880 164 2HB TYR 21 2HB TYR 21 3.434 6.698 -3.610 165 HD1 TYR 21 1HD TYR 21 1.571 6.830 -0.377 166 HD2 TYR 21 2HD TYR 21 1.563 5.534 -4.454 167 HE1 TYR 21 1HE TYR 21 -0.546 5.486 0.046 168 HE2 TYR 21 2HE TYR 21 -0.553 4.195 -4.017 169 HH TYR 21 HH TYR 21 -1.802 3.296 -2.365 170 H TYR 22 H TYR 22 3.964 9.563 -2.002 171 HA TYR 22 HA TYR 22 3.608 10.222 0.822 172 1HB TYR 22 1HB TYR 22 3.947 12.581 -0.525 173 2HB TYR 22 2HB TYR 22 5.317 11.579 -0.088 174 HD1 TYR 22 1HD TYR 22 2.825 11.940 -2.876 175 HD2 TYR 22 2HD TYR 22 6.851 11.033 -1.745 176 HE1 TYR 22 1HE TYR 22 3.479 11.752 -5.325 177 HE2 TYR 22 2HE TYR 22 7.491 10.849 -4.198 178 HH TYR 22 HH TYR 22 5.033 11.120 -6.727 179 H ARG 23 H ARG 23 1.296 9.091 -0.084 180 HA ARG 23 HA ARG 23 -0.339 11.376 -0.829 181 1HB ARG 23 1HB ARG 23 -0.423 8.469 -1.454 182 2HB ARG 23 2HB ARG 23 -1.986 9.130 -1.018 183 1HG ARG 23 1HG ARG 23 -2.111 9.786 -3.201 184 2HG ARG 23 2HG ARG 23 -1.050 11.095 -2.719 185 1HD ARG 23 1HD ARG 23 0.053 10.128 -4.595 186 2HD ARG 23 2HD ARG 23 0.923 9.478 -3.219 187 HE ARG 23 HE ARG 23 -0.203 7.352 -3.526 188 1HH1 ARG 23 1HH1 ARG 23 -1.547 8.551 -7.136 189 2HH1 ARG 23 2HH1 ARG 23 -1.044 9.734 -5.975 190 1HH2 ARG 23 1HH2 ARG 23 -1.690 6.309 -6.495 191 2HH2 ARG 23 2HH2 ARG 23 -0.815 5.787 -5.094 192 HA PRO 24 HA PRO 24 -2.289 9.240 3.013 193 1HB PRO 24 1HB PRO 24 -0.583 7.585 4.481 194 2HB PRO 24 2HB PRO 24 -1.728 6.994 3.292 195 1HG PRO 24 1HG PRO 24 1.214 7.201 3.089 196 2HG PRO 24 2HG PRO 24 0.111 6.245 2.119 197 1HD PRO 24 1HD PRO 24 1.376 8.704 1.357 198 2HD PRO 24 2HD PRO 24 0.186 7.808 0.435 199 H VAL 25 H VAL 25 0.407 11.045 2.553 200 HA VAL 25 HA VAL 25 1.065 11.591 5.276 201 HB VAL 25 HB VAL 25 2.359 13.445 4.270 202 1HG1 VAL 25 1HG1 VAL 25 3.948 12.022 3.037 203 2HG1 VAL 25 2HG1 VAL 25 3.355 11.222 4.512 204 3HG1 VAL 25 3HG1 VAL 25 2.713 10.745 2.922 205 1HG2 VAL 25 1HG2 VAL 25 1.171 12.440 1.661 206 2HG2 VAL 25 2HG2 VAL 25 0.897 14.029 2.414 207 3HG2 VAL 25 3HG2 VAL 25 2.512 13.601 1.802 208 H CYS 26 H CYS 26 -1.489 12.476 3.093 209 HA CYS 26 HA CYS 26 -1.995 15.044 4.143 210 1HB CYS 26 1HB CYS 26 -2.815 14.443 1.946 211 2HB CYS 26 2HB CYS 26 -3.752 13.113 2.597 212 HG CYS 26 HG CYS 26 -4.024 16.300 3.465 Start of MODEL 4 1 1H GLY 1 HN1 GLY 1 6.070 11.015 1.834 2 2H GLY 1 HN2 GLY 1 7.665 10.632 2.060 3 3H GLY 1 HN3 GLY 1 6.696 10.945 3.366 4 1HA GLY 1 1HA GLY 1 5.324 8.998 2.281 5 2HA GLY 1 2HA GLY 1 6.944 8.568 1.770 6 H ASN 2 H ASN 2 6.433 10.428 4.757 7 HA ASN 2 HA ASN 2 7.832 8.518 6.237 8 1HB ASN 2 1HB ASN 2 7.219 9.974 8.195 9 2HB ASN 2 2HB ASN 2 7.845 10.910 6.853 10 1HD2 ASN 2 1HD2 ASN 2 5.200 10.278 8.917 11 2HD2 ASN 2 2HD2 ASN 2 4.107 11.482 8.319 12 H ASP 3 H ASP 3 4.478 8.967 5.324 13 HA ASP 3 HA ASP 3 3.633 7.174 7.453 14 1HB ASP 3 1HB ASP 3 2.072 9.034 5.604 15 2HB ASP 3 2HB ASP 3 1.293 7.893 6.682 16 H TYR 4 H TYR 4 2.543 5.189 6.861 17 HA TYR 4 HA TYR 4 1.817 4.659 4.159 18 1HB TYR 4 1HB TYR 4 3.578 2.686 4.161 19 2HB TYR 4 2HB TYR 4 4.185 4.293 3.817 20 HD1 TYR 4 1HD TYR 4 5.799 5.331 5.228 21 HD2 TYR 4 2HD TYR 4 3.862 1.732 6.494 22 HE1 TYR 4 1HE TYR 4 7.447 5.112 7.152 23 HE2 TYR 4 2HE TYR 4 5.516 1.526 8.414 24 HH TYR 4 HH TYR 4 7.309 2.314 9.334 25 H GLU 5 H GLU 5 2.283 1.738 4.450 26 HA GLU 5 HA GLU 5 1.245 0.850 6.863 27 1HB GLU 5 1HB GLU 5 -0.743 1.861 4.975 28 2HB GLU 5 2HB GLU 5 -0.994 0.152 5.271 29 1HG GLU 5 1HG GLU 5 -0.462 1.957 7.636 30 2HG GLU 5 2HG GLU 5 -2.048 2.004 6.891 31 H ASP 6 H ASP 6 3.126 -0.506 6.291 32 HA ASP 6 HA ASP 6 2.983 -2.109 3.978 33 1HB ASP 6 1HB ASP 6 4.753 -1.855 6.386 34 2HB ASP 6 2HB ASP 6 4.784 -3.409 5.577 35 H ARG 7 H ARG 7 1.326 -3.658 3.878 36 HA ARG 7 HA ARG 7 1.370 -5.727 5.790 37 1HB ARG 7 1HB ARG 7 -0.491 -3.549 6.222 38 2HB ARG 7 2HB ARG 7 -1.417 -4.965 5.765 39 1HG ARG 7 1HG ARG 7 -0.422 -6.291 7.560 40 2HG ARG 7 2HG ARG 7 0.739 -5.029 7.923 41 1HD ARG 7 1HD ARG 7 -1.337 -3.506 8.386 42 2HD ARG 7 2HD ARG 7 -2.268 -4.991 8.399 43 HE ARG 7 HE ARG 7 -0.884 -5.779 10.291 44 1HH1 ARG 7 1HH1 ARG 7 -0.598 -5.022 12.469 45 2HH1 ARG 7 2HH1 ARG 7 0.227 -3.515 12.690 46 1HH2 ARG 7 1HH2 ARG 7 -0.197 -2.470 9.350 47 2HH2 ARG 7 2HH2 ARG 7 0.201 -1.954 10.955 48 H TYR 8 H TYR 8 -1.197 -4.233 3.673 49 HA TYR 8 HA TYR 8 -2.409 -6.236 2.565 50 1HB TYR 8 1HB TYR 8 -1.534 -3.596 1.809 51 2HB TYR 8 2HB TYR 8 -1.204 -4.603 0.413 52 HD1 TYR 8 1HD TYR 8 -3.593 -2.538 1.871 53 HD2 TYR 8 2HD TYR 8 -3.265 -6.279 -0.179 54 HE1 TYR 8 1HE TYR 8 -6.031 -2.375 1.169 55 HE2 TYR 8 2HE TYR 8 -5.704 -6.103 -0.875 56 HH TYR 8 HH TYR 8 -7.739 -3.489 0.333 57 H TYR 9 H TYR 9 -1.657 -8.289 2.217 58 HA TYR 9 HA TYR 9 0.851 -9.070 1.570 59 1HB TYR 9 1HB TYR 9 -0.796 -10.837 0.177 60 2HB TYR 9 2HB TYR 9 -0.577 -10.896 1.915 61 HD1 TYR 9 1HD TYR 9 -2.890 -10.202 -0.793 62 HD2 TYR 9 2HD TYR 9 -2.265 -9.786 3.419 63 HE1 TYR 9 1HE TYR 9 -5.375 -9.780 -0.458 64 HE2 TYR 9 2HE TYR 9 -4.752 -9.365 3.739 65 HH TYR 9 HH TYR 9 -6.992 -9.653 1.028 66 H ARG 10 H ARG 10 2.130 -8.150 0.012 67 HA ARG 10 HA ARG 10 0.965 -7.366 -2.454 68 1HB ARG 10 1HB ARG 10 3.879 -7.467 -1.523 69 2HB ARG 10 2HB ARG 10 3.358 -6.746 -3.033 70 1HG ARG 10 1HG ARG 10 3.214 -4.824 -1.792 71 2HG ARG 10 2HG ARG 10 1.659 -5.469 -1.305 72 1HD ARG 10 1HD ARG 10 2.366 -5.896 0.836 73 2HD ARG 10 2HD ARG 10 3.904 -6.545 0.304 74 HE ARG 10 HE ARG 10 4.833 -4.478 0.821 75 1HH1 ARG 10 1HH1 ARG 10 4.889 -2.222 1.198 76 2HH1 ARG 10 2HH1 ARG 10 3.520 -1.246 0.784 77 1HH2 ARG 10 1HH2 ARG 10 1.574 -2.251 -0.004 78 2HH2 ARG 10 2HH2 ARG 10 1.444 -3.978 0.001 79 H GLU 11 H GLU 11 0.337 -9.070 -3.791 80 HA GLU 11 HA GLU 11 2.295 -11.202 -4.128 81 1HB GLU 11 1HB GLU 11 -0.345 -11.729 -5.288 82 2HB GLU 11 2HB GLU 11 0.580 -12.686 -4.148 83 1HG GLU 11 1HG GLU 11 -0.762 -10.145 -3.192 84 2HG GLU 11 2HG GLU 11 -1.731 -11.588 -3.418 85 H ASN 12 H ASN 12 -0.238 -9.364 -5.994 86 HA ASN 12 HA ASN 12 1.348 -8.341 -7.879 87 1HB ASN 12 1HB ASN 12 2.195 -10.375 -8.756 88 2HB ASN 12 2HB ASN 12 0.701 -11.243 -8.463 89 1HD2 ASN 12 1HD2 ASN 12 -0.395 -10.926 -11.711 90 2HD2 ASN 12 2HD2 ASN 12 -0.112 -11.893 -10.302 91 H MET 13 H MET 13 -1.357 -10.708 -8.475 92 HA MET 13 HA MET 13 -2.876 -8.913 -9.916 93 1HB MET 13 1HB MET 13 -3.730 -11.377 -8.295 94 2HB MET 13 2HB MET 13 -4.709 -10.628 -9.539 95 1HG MET 13 1HG MET 13 -2.749 -11.029 -11.164 96 2HG MET 13 2HG MET 13 -2.007 -11.999 -9.908 97 1HE MET 13 1HE MET 13 -1.950 -13.482 -11.936 98 2HE MET 13 2HE MET 13 -3.164 -14.757 -12.201 99 3HE MET 13 3HE MET 13 -3.310 -13.199 -13.048 100 H TYR 14 H TYR 14 -5.524 -9.126 -8.834 101 HA TYR 14 HA TYR 14 -5.542 -6.886 -7.147 102 1HB TYR 14 1HB TYR 14 -7.341 -7.779 -8.752 103 2HB TYR 14 2HB TYR 14 -7.595 -9.129 -7.663 104 HD1 TYR 14 1HD TYR 14 -9.955 -7.760 -8.273 105 HD2 TYR 14 2HD TYR 14 -6.958 -6.603 -5.448 106 HE1 TYR 14 1HE TYR 14 -11.679 -6.402 -6.990 107 HE2 TYR 14 2HE TYR 14 -8.692 -5.248 -4.175 108 HH TYR 14 HH TYR 14 -12.094 -5.351 -5.099 109 H ARG 15 H ARG 15 -4.009 -7.578 -5.426 110 HA ARG 15 HA ARG 15 -5.491 -9.067 -3.423 111 1HB ARG 15 1HB ARG 15 -2.692 -9.548 -4.439 112 2HB ARG 15 2HB ARG 15 -2.965 -9.765 -2.722 113 1HG ARG 15 1HG ARG 15 -4.928 -11.027 -4.636 114 2HG ARG 15 2HG ARG 15 -3.350 -11.770 -4.469 115 1HD ARG 15 1HD ARG 15 -3.689 -11.861 -1.967 116 2HD ARG 15 2HD ARG 15 -5.295 -11.192 -2.181 117 HE ARG 15 HE ARG 15 -5.865 -13.229 -3.521 118 1HH1 ARG 15 1HH1 ARG 15 -2.853 -13.374 -1.719 119 2HH1 ARG 15 2HH1 ARG 15 -2.927 -15.088 -1.479 120 1HH2 ARG 15 1HH2 ARG 15 -6.072 -15.467 -3.015 121 2HH2 ARG 15 2HH2 ARG 15 -4.712 -16.302 -2.342 122 H TYR 16 H TYR 16 -3.886 -6.247 -4.412 123 HA TYR 16 HA TYR 16 -4.177 -4.979 -1.940 124 1HB TYR 16 1HB TYR 16 -1.984 -5.108 -1.066 125 2HB TYR 16 2HB TYR 16 -1.999 -6.640 -1.917 126 HD1 TYR 16 1HD TYR 16 -0.381 -3.468 -1.590 127 HD2 TYR 16 2HD TYR 16 -1.087 -6.666 -4.343 128 HE1 TYR 16 1HE TYR 16 1.616 -2.725 -2.977 129 HE2 TYR 16 2HE TYR 16 0.912 -5.912 -5.721 130 HH TYR 16 HH TYR 16 2.530 -2.903 -5.051 131 HA PRO 17 HA PRO 17 -3.776 -1.688 -4.790 132 1HB PRO 17 1HB PRO 17 -3.612 0.429 -2.975 133 2HB PRO 17 2HB PRO 17 -5.116 -0.341 -3.438 134 1HG PRO 17 1HG PRO 17 -3.623 -0.567 -0.897 135 2HG PRO 17 2HG PRO 17 -5.297 -0.969 -1.226 136 1HD PRO 17 1HD PRO 17 -3.114 -2.809 -0.946 137 2HD PRO 17 2HD PRO 17 -4.764 -3.199 -1.390 138 H ASN 18 H ASN 18 -1.861 -0.184 -2.187 139 HA ASN 18 HA ASN 18 0.584 -0.922 -3.382 140 1HB ASN 18 1HB ASN 18 0.849 1.875 -3.599 141 2HB ASN 18 2HB ASN 18 0.720 0.752 -4.938 142 1HD2 ASN 18 1HD2 ASN 18 -2.309 1.937 -6.065 143 2HD2 ASN 18 2HD2 ASN 18 -0.956 0.872 -6.256 144 H GLN 19 H GLN 19 -0.627 2.179 -1.896 145 HA GLN 19 HA GLN 19 -0.256 3.149 0.010 146 1HB GLN 19 1HB GLN 19 0.635 0.594 1.353 147 2HB GLN 19 2HB GLN 19 -0.321 1.906 2.011 148 1HG GLN 19 1HG GLN 19 -2.012 1.147 0.034 149 2HG GLN 19 2HG GLN 19 -1.182 -0.380 0.254 150 1HE2 GLN 19 1HE2 GLN 19 -2.204 -0.847 3.672 151 2HE2 GLN 19 2HE2 GLN 19 -0.741 -0.798 2.745 152 H VAL 20 H VAL 20 1.831 3.188 -1.883 153 HA VAL 20 HA VAL 20 4.111 3.448 -0.080 154 HB VAL 20 HB VAL 20 5.527 2.519 -1.989 155 1HG1 VAL 20 1HG1 VAL 20 3.709 0.615 -0.473 156 2HG1 VAL 20 2HG1 VAL 20 5.289 0.216 -1.189 157 3HG1 VAL 20 3HG1 VAL 20 5.190 1.370 0.163 158 1HG2 VAL 20 1HG2 VAL 20 4.128 0.644 -3.208 159 2HG2 VAL 20 2HG2 VAL 20 2.774 1.761 -2.911 160 3HG2 VAL 20 3HG2 VAL 20 4.185 2.302 -3.852 161 H TYR 21 H TYR 21 3.645 5.720 -0.131 162 HA TYR 21 HA TYR 21 5.015 7.139 -2.063 163 1HB TYR 21 1HB TYR 21 2.680 8.209 -2.938 164 2HB TYR 21 2HB TYR 21 3.352 6.796 -3.727 165 HD1 TYR 21 1HD TYR 21 1.561 7.026 -0.447 166 HD2 TYR 21 2HD TYR 21 1.490 5.589 -4.476 167 HE1 TYR 21 1HE TYR 21 -0.571 5.731 0.045 168 HE2 TYR 21 2HE TYR 21 -0.642 4.300 -3.971 169 HH TYR 21 HH TYR 21 -1.865 3.454 -2.244 170 H TYR 22 H TYR 22 4.004 9.617 -2.064 171 HA TYR 22 HA TYR 22 3.707 10.177 0.796 172 1HB TYR 22 1HB TYR 22 4.275 12.555 -0.317 173 2HB TYR 22 2HB TYR 22 5.560 11.377 -0.131 174 HD1 TYR 22 1HD TYR 22 2.804 11.689 -2.665 175 HD2 TYR 22 2HD TYR 22 7.017 11.575 -1.929 176 HE1 TYR 22 1HE TYR 22 3.251 11.774 -5.167 177 HE2 TYR 22 2HE TYR 22 7.450 11.661 -4.433 178 HH TYR 22 HH TYR 22 4.752 11.962 -6.719 179 H ARG 23 H ARG 23 1.344 9.237 -0.147 180 HA ARG 23 HA ARG 23 -0.135 11.639 -0.850 181 1HB ARG 23 1HB ARG 23 -0.442 8.734 -1.494 182 2HB ARG 23 2HB ARG 23 -1.943 9.570 -1.150 183 1HG ARG 23 1HG ARG 23 -1.912 10.402 -3.258 184 2HG ARG 23 2HG ARG 23 -0.496 11.341 -2.830 185 1HD ARG 23 1HD ARG 23 -0.031 9.942 -4.818 186 2HD ARG 23 2HD ARG 23 0.986 9.450 -3.479 187 HE ARG 23 HE ARG 23 -0.110 7.382 -3.437 188 1HH1 ARG 23 1HH1 ARG 23 -3.185 8.493 -5.800 189 2HH1 ARG 23 2HH1 ARG 23 -1.894 9.606 -5.492 190 1HH2 ARG 23 1HH2 ARG 23 -3.013 6.300 -5.045 191 2HH2 ARG 23 2HH2 ARG 23 -1.757 5.868 -3.933 192 HA PRO 24 HA PRO 24 -2.246 9.531 2.923 193 1HB PRO 24 1HB PRO 24 -0.647 7.756 4.371 194 2HB PRO 24 2HB PRO 24 -1.809 7.253 3.160 195 1HG PRO 24 1HG PRO 24 1.142 7.305 2.988 196 2HG PRO 24 2HG PRO 24 0.000 6.430 1.988 197 1HD PRO 24 1HD PRO 24 1.403 8.833 1.290 198 2HD PRO 24 2HD PRO 24 0.175 8.022 0.338 199 H VAL 25 H VAL 25 0.207 11.450 2.480 200 HA VAL 25 HA VAL 25 0.747 11.908 5.320 201 HB VAL 25 HB VAL 25 2.527 13.397 4.462 202 1HG1 VAL 25 1HG1 VAL 25 4.016 11.596 3.656 203 2HG1 VAL 25 2HG1 VAL 25 3.047 11.090 5.061 204 3HG1 VAL 25 3HG1 VAL 25 2.601 10.542 3.427 205 1HG2 VAL 25 1HG2 VAL 25 1.519 12.425 1.777 206 2HG2 VAL 25 2HG2 VAL 25 1.724 14.100 2.342 207 3HG2 VAL 25 3HG2 VAL 25 3.153 13.091 2.012 208 H CYS 26 H CYS 26 -1.271 12.884 2.718 209 HA CYS 26 HA CYS 26 -1.425 15.623 3.191 210 1HB CYS 26 1HB CYS 26 -2.330 14.321 1.197 211 2HB CYS 26 2HB CYS 26 -3.695 13.875 2.202 212 HG CYS 26 HG CYS 26 -2.639 16.988 2.015 Start of MODEL 5 1 1H GLY 1 HN1 GLY 1 5.748 10.539 2.856 2 2H GLY 1 HN2 GLY 1 5.243 10.414 1.284 3 3H GLY 1 HN3 GLY 1 6.778 10.934 1.622 4 1HA GLY 1 1HA GLY 1 5.761 8.305 1.387 5 2HA GLY 1 2HA GLY 1 7.411 8.880 1.260 6 H ASN 2 H ASN 2 6.514 10.285 4.080 7 HA ASN 2 HA ASN 2 7.918 8.399 5.606 8 1HB ASN 2 1HB ASN 2 7.528 9.938 7.470 9 2HB ASN 2 2HB ASN 2 7.846 10.901 6.040 10 1HD2 ASN 2 1HD2 ASN 2 5.596 10.057 8.489 11 2HD2 ASN 2 2HD2 ASN 2 4.164 10.817 7.879 12 H ASP 3 H ASP 3 4.569 8.892 4.693 13 HA ASP 3 HA ASP 3 3.669 7.238 6.902 14 1HB ASP 3 1HB ASP 3 2.366 9.195 5.019 15 2HB ASP 3 2HB ASP 3 1.371 7.887 5.626 16 H TYR 4 H TYR 4 2.515 5.237 6.436 17 HA TYR 4 HA TYR 4 1.843 4.456 3.811 18 1HB TYR 4 1HB TYR 4 3.682 2.530 3.974 19 2HB TYR 4 2HB TYR 4 4.185 4.106 3.397 20 HD1 TYR 4 1HD TYR 4 5.943 5.246 4.455 21 HD2 TYR 4 2HD TYR 4 3.980 2.053 6.517 22 HE1 TYR 4 1HE TYR 4 7.683 5.361 6.305 23 HE2 TYR 4 2HE TYR 4 5.726 2.178 8.360 24 HH TYR 4 HH TYR 4 7.617 3.044 8.988 25 H GLU 5 H GLU 5 2.308 1.599 4.214 26 HA GLU 5 HA GLU 5 1.416 0.823 6.734 27 1HB GLU 5 1HB GLU 5 -0.673 1.634 4.823 28 2HB GLU 5 2HB GLU 5 -0.883 -0.019 5.365 29 1HG GLU 5 1HG GLU 5 -0.187 1.927 7.520 30 2HG GLU 5 2HG GLU 5 -1.744 2.196 6.762 31 H ASP 6 H ASP 6 3.369 -0.445 6.012 32 HA ASP 6 HA ASP 6 3.171 -2.176 3.840 33 1HB ASP 6 1HB ASP 6 4.883 -2.226 6.364 34 2HB ASP 6 2HB ASP 6 5.093 -3.381 5.063 35 H ARG 7 H ARG 7 1.411 -3.636 3.850 36 HA ARG 7 HA ARG 7 1.519 -5.697 5.786 37 1HB ARG 7 1HB ARG 7 -0.319 -3.495 6.211 38 2HB ARG 7 2HB ARG 7 -1.260 -4.921 5.821 39 1HG ARG 7 1HG ARG 7 -0.370 -6.165 7.660 40 2HG ARG 7 2HG ARG 7 0.988 -5.076 7.858 41 1HD ARG 7 1HD ARG 7 -1.217 -3.376 8.181 42 2HD ARG 7 2HD ARG 7 -1.760 -4.861 8.935 43 HE ARG 7 HE ARG 7 0.930 -4.282 9.785 44 1HH1 ARG 7 1HH1 ARG 7 1.165 -3.811 12.048 45 2HH1 ARG 7 2HH1 ARG 7 0.086 -2.632 12.716 46 1HH2 ARG 7 1HH2 ARG 7 -2.291 -2.915 10.139 47 2HH2 ARG 7 2HH2 ARG 7 -2.116 -2.615 11.836 48 H TYR 8 H TYR 8 -1.086 -4.224 3.702 49 HA TYR 8 HA TYR 8 -2.348 -6.231 2.666 50 1HB TYR 8 1HB TYR 8 -1.479 -3.621 1.839 51 2HB TYR 8 2HB TYR 8 -1.143 -4.652 0.463 52 HD1 TYR 8 1HD TYR 8 -3.560 -2.602 1.938 53 HD2 TYR 8 2HD TYR 8 -3.179 -6.312 -0.159 54 HE1 TYR 8 1HE TYR 8 -5.997 -2.460 1.229 55 HE2 TYR 8 2HE TYR 8 -5.618 -6.157 -0.862 56 HH TYR 8 HH TYR 8 -7.666 -3.513 0.308 57 H TYR 9 H TYR 9 -1.771 -8.287 2.160 58 HA TYR 9 HA TYR 9 0.719 -9.200 1.594 59 1HB TYR 9 1HB TYR 9 -0.950 -10.838 0.099 60 2HB TYR 9 2HB TYR 9 -0.848 -10.929 1.846 61 HD1 TYR 9 1HD TYR 9 -2.979 -10.264 -0.965 62 HD2 TYR 9 2HD TYR 9 -2.519 -9.541 3.227 63 HE1 TYR 9 1HE TYR 9 -5.451 -9.697 -0.784 64 HE2 TYR 9 2HE TYR 9 -4.993 -8.977 3.394 65 HH TYR 9 HH TYR 9 -7.184 -9.836 1.256 66 H ARG 10 H ARG 10 2.082 -8.211 0.134 67 HA ARG 10 HA ARG 10 1.052 -7.352 -2.365 68 1HB ARG 10 1HB ARG 10 3.874 -7.486 -1.200 69 2HB ARG 10 2HB ARG 10 3.551 -6.862 -2.806 70 1HG ARG 10 1HG ARG 10 3.185 -4.845 -1.825 71 2HG ARG 10 2HG ARG 10 1.676 -5.506 -1.229 72 1HD ARG 10 1HD ARG 10 2.483 -5.792 0.922 73 2HD ARG 10 2HD ARG 10 4.093 -6.221 0.381 74 HE ARG 10 HE ARG 10 4.701 -3.936 0.364 75 1HH1 ARG 10 1HH1 ARG 10 4.410 -1.765 1.033 76 2HH1 ARG 10 2HH1 ARG 10 2.808 -1.149 1.262 77 1HH2 ARG 10 1HH2 ARG 10 0.987 -2.604 1.191 78 2HH2 ARG 10 2HH2 ARG 10 1.265 -4.307 1.046 79 H GLU 11 H GLU 11 0.390 -9.103 -3.659 80 HA GLU 11 HA GLU 11 2.359 -11.218 -4.010 81 1HB GLU 11 1HB GLU 11 -0.220 -11.753 -5.260 82 2HB GLU 11 2HB GLU 11 0.629 -12.677 -4.037 83 1HG GLU 11 1HG GLU 11 -0.725 -10.104 -3.211 84 2HG GLU 11 2HG GLU 11 -1.725 -11.512 -3.509 85 H ASN 12 H ASN 12 -0.152 -9.419 -5.945 86 HA ASN 12 HA ASN 12 1.512 -8.361 -7.770 87 1HB ASN 12 1HB ASN 12 2.347 -10.346 -8.713 88 2HB ASN 12 2HB ASN 12 0.893 -11.256 -8.350 89 1HD2 ASN 12 1HD2 ASN 12 -0.136 -11.101 -11.639 90 2HD2 ASN 12 2HD2 ASN 12 0.350 -12.047 -10.272 91 H MET 13 H MET 13 -1.209 -10.673 -8.482 92 HA MET 13 HA MET 13 -2.669 -8.828 -9.917 93 1HB MET 13 1HB MET 13 -3.745 -11.231 -8.342 94 2HB MET 13 2HB MET 13 -4.471 -10.525 -9.772 95 1HG MET 13 1HG MET 13 -2.174 -11.071 -10.940 96 2HG MET 13 2HG MET 13 -1.898 -12.131 -9.571 97 1HE MET 13 1HE MET 13 -1.696 -14.117 -11.237 98 2HE MET 13 2HE MET 13 -2.969 -14.628 -12.372 99 3HE MET 13 3HE MET 13 -2.090 -13.105 -12.647 100 H TYR 14 H TYR 14 -5.330 -8.929 -8.963 101 HA TYR 14 HA TYR 14 -5.362 -6.751 -7.225 102 1HB TYR 14 1HB TYR 14 -7.142 -7.582 -8.871 103 2HB TYR 14 2HB TYR 14 -7.425 -8.962 -7.828 104 HD1 TYR 14 1HD TYR 14 -9.785 -7.636 -8.394 105 HD2 TYR 14 2HD TYR 14 -6.798 -6.434 -5.576 106 HE1 TYR 14 1HE TYR 14 -11.526 -6.305 -7.105 107 HE2 TYR 14 2HE TYR 14 -8.550 -5.108 -4.297 108 HH TYR 14 HH TYR 14 -11.848 -4.816 -5.534 109 H ARG 15 H ARG 15 -3.870 -7.490 -5.482 110 HA ARG 15 HA ARG 15 -5.416 -8.983 -3.529 111 1HB ARG 15 1HB ARG 15 -2.584 -9.455 -4.465 112 2HB ARG 15 2HB ARG 15 -2.926 -9.715 -2.767 113 1HG ARG 15 1HG ARG 15 -4.878 -10.909 -4.707 114 2HG ARG 15 2HG ARG 15 -3.283 -11.634 -4.672 115 1HD ARG 15 1HD ARG 15 -3.482 -12.296 -2.402 116 2HD ARG 15 2HD ARG 15 -4.722 -11.107 -2.057 117 HE ARG 15 HE ARG 15 -5.915 -12.720 -3.968 118 1HH1 ARG 15 1HH1 ARG 15 -4.068 -13.666 -1.127 119 2HH1 ARG 15 2HH1 ARG 15 -5.329 -14.667 -0.488 120 1HH2 ARG 15 1HH2 ARG 15 -7.351 -14.406 -3.371 121 2HH2 ARG 15 2HH2 ARG 15 -6.996 -15.383 -1.986 122 H TYR 16 H TYR 16 -3.775 -6.160 -4.444 123 HA TYR 16 HA TYR 16 -4.110 -4.934 -1.949 124 1HB TYR 16 1HB TYR 16 -1.929 -5.080 -1.059 125 2HB TYR 16 2HB TYR 16 -1.907 -6.578 -1.969 126 HD1 TYR 16 1HD TYR 16 -0.319 -3.425 -1.477 127 HD2 TYR 16 2HD TYR 16 -1.006 -6.460 -4.412 128 HE1 TYR 16 1HE TYR 16 1.676 -2.593 -2.814 129 HE2 TYR 16 2HE TYR 16 0.992 -5.618 -5.740 130 HH TYR 16 HH TYR 16 2.986 -2.955 -4.502 131 HA PRO 17 HA PRO 17 -3.724 -1.584 -4.729 132 1HB PRO 17 1HB PRO 17 -3.565 0.498 -2.873 133 2HB PRO 17 2HB PRO 17 -5.067 -0.270 -3.348 134 1HG PRO 17 1HG PRO 17 -3.568 -0.539 -0.815 135 2HG PRO 17 2HG PRO 17 -5.241 -0.941 -1.149 136 1HD PRO 17 1HD PRO 17 -3.050 -2.777 -0.910 137 2HD PRO 17 2HD PRO 17 -4.699 -3.166 -1.357 138 H ASN 18 H ASN 18 -1.818 -0.101 -2.112 139 HA ASN 18 HA ASN 18 0.626 -0.797 -3.363 140 1HB ASN 18 1HB ASN 18 0.748 2.069 -3.362 141 2HB ASN 18 2HB ASN 18 0.863 1.003 -4.748 142 1HD2 ASN 18 1HD2 ASN 18 -2.174 1.861 -6.122 143 2HD2 ASN 18 2HD2 ASN 18 -0.779 0.835 -6.158 144 H GLN 19 H GLN 19 -0.600 2.188 -1.665 145 HA GLN 19 HA GLN 19 -0.202 3.047 0.288 146 1HB GLN 19 1HB GLN 19 0.707 0.379 1.404 147 2HB GLN 19 2HB GLN 19 -0.148 1.669 2.226 148 1HG GLN 19 1HG GLN 19 -1.936 1.095 0.211 149 2HG GLN 19 2HG GLN 19 -1.212 -0.484 0.450 150 1HE2 GLN 19 1HE2 GLN 19 -2.246 -0.824 3.881 151 2HE2 GLN 19 2HE2 GLN 19 -0.911 -1.106 2.813 152 H VAL 20 H VAL 20 1.847 3.257 -1.618 153 HA VAL 20 HA VAL 20 4.136 3.499 0.155 154 HB VAL 20 HB VAL 20 5.603 2.536 -1.636 155 1HG1 VAL 20 1HG1 VAL 20 3.642 0.529 -0.486 156 2HG1 VAL 20 2HG1 VAL 20 5.359 0.277 -0.883 157 3HG1 VAL 20 3HG1 VAL 20 4.904 1.339 0.472 158 1HG2 VAL 20 1HG2 VAL 20 4.149 0.724 -2.991 159 2HG2 VAL 20 2HG2 VAL 20 2.939 2.023 -2.863 160 3HG2 VAL 20 3HG2 VAL 20 4.514 2.346 -3.626 161 H TYR 21 H TYR 21 3.662 5.762 0.079 162 HA TYR 21 HA TYR 21 5.011 7.187 -1.845 163 1HB TYR 21 1HB TYR 21 2.670 8.184 -2.795 164 2HB TYR 21 2HB TYR 21 3.404 6.782 -3.549 165 HD1 TYR 21 1HD TYR 21 1.658 6.799 -0.260 166 HD2 TYR 21 2HD TYR 21 1.460 5.709 -4.392 167 HE1 TYR 21 1HE TYR 21 -0.448 5.449 0.190 168 HE2 TYR 21 2HE TYR 21 -0.646 4.363 -3.929 169 HH TYR 21 HH TYR 21 -1.925 3.507 -2.366 170 H TYR 22 H TYR 22 3.920 9.637 -1.916 171 HA TYR 22 HA TYR 22 3.598 10.248 0.925 172 1HB TYR 22 1HB TYR 22 3.923 12.629 -0.406 173 2HB TYR 22 2HB TYR 22 5.294 11.637 0.048 174 HD1 TYR 22 1HD TYR 22 2.901 12.211 -2.772 175 HD2 TYR 22 2HD TYR 22 6.792 10.879 -1.589 176 HE1 TYR 22 1HE TYR 22 3.590 12.032 -5.212 177 HE2 TYR 22 2HE TYR 22 7.467 10.705 -4.034 178 HH TYR 22 HH TYR 22 5.203 11.653 -6.602 179 H ARG 23 H ARG 23 1.284 9.128 -0.027 180 HA ARG 23 HA ARG 23 -0.353 11.436 -0.693 181 1HB ARG 23 1HB ARG 23 -0.390 8.589 -1.487 182 2HB ARG 23 2HB ARG 23 -1.962 9.136 -0.941 183 1HG ARG 23 1HG ARG 23 -2.230 9.972 -3.043 184 2HG ARG 23 2HG ARG 23 -1.155 11.261 -2.539 185 1HD ARG 23 1HD ARG 23 -0.233 10.376 -4.587 186 2HD ARG 23 2HD ARG 23 0.811 9.810 -3.298 187 HE ARG 23 HE ARG 23 0.128 7.611 -3.736 188 1HH1 ARG 23 1HH1 ARG 23 -2.890 8.613 -6.216 189 2HH1 ARG 23 2HH1 ARG 23 -1.936 9.857 -5.480 190 1HH2 ARG 23 1HH2 ARG 23 -2.447 6.382 -5.750 191 2HH2 ARG 23 2HH2 ARG 23 -1.201 5.964 -4.621 192 HA PRO 24 HA PRO 24 -2.265 9.140 3.079 193 1HB PRO 24 1HB PRO 24 -0.490 7.547 4.534 194 2HB PRO 24 2HB PRO 24 -1.597 6.919 3.329 195 1HG PRO 24 1HG PRO 24 1.332 7.272 3.149 196 2HG PRO 24 2HG PRO 24 0.284 6.278 2.158 197 1HD PRO 24 1HD PRO 24 1.432 8.807 1.441 198 2HD PRO 24 2HD PRO 24 0.292 7.869 0.497 199 H VAL 25 H VAL 25 0.286 11.117 2.652 200 HA VAL 25 HA VAL 25 0.876 11.651 5.410 201 HB VAL 25 HB VAL 25 2.226 13.459 4.501 202 1HG1 VAL 25 1HG1 VAL 25 3.802 12.117 3.197 203 2HG1 VAL 25 2HG1 VAL 25 3.142 11.171 4.553 204 3HG1 VAL 25 3HG1 VAL 25 2.540 10.897 2.900 205 1HG2 VAL 25 1HG2 VAL 25 1.046 12.690 1.810 206 2HG2 VAL 25 2HG2 VAL 25 0.754 14.205 2.697 207 3HG2 VAL 25 3HG2 VAL 25 2.379 13.841 2.070 208 H CYS 26 H CYS 26 -1.627 12.436 3.146 209 HA CYS 26 HA CYS 26 -2.248 15.013 3.983 210 1HB CYS 26 1HB CYS 26 -4.071 12.853 2.874 211 2HB CYS 26 2HB CYS 26 -4.497 14.546 3.031 212 HG CYS 26 HG CYS 26 -3.874 13.914 0.524 Start of MODEL 6 1 1H GLY 1 HN1 GLY 1 6.190 10.942 3.296 2 2H GLY 1 HN2 GLY 1 5.670 10.887 1.725 3 3H GLY 1 HN3 GLY 1 7.283 11.053 2.057 4 1HA GLY 1 1HA GLY 1 5.652 8.716 1.983 5 2HA GLY 1 2HA GLY 1 7.371 8.892 1.687 6 H ASN 2 H ASN 2 6.186 10.415 4.608 7 HA ASN 2 HA ASN 2 7.763 8.636 6.148 8 1HB ASN 2 1HB ASN 2 6.936 10.085 8.074 9 2HB ASN 2 2HB ASN 2 7.703 10.992 6.785 10 1HD2 ASN 2 1HD2 ASN 2 5.020 10.729 8.749 11 2HD2 ASN 2 2HD2 ASN 2 3.788 11.493 7.801 12 H ASP 3 H ASP 3 4.377 9.037 5.221 13 HA ASP 3 HA ASP 3 3.557 7.207 7.319 14 1HB ASP 3 1HB ASP 3 2.174 9.234 5.577 15 2HB ASP 3 2HB ASP 3 1.231 7.843 6.072 16 H TYR 4 H TYR 4 2.295 5.263 6.691 17 HA TYR 4 HA TYR 4 1.757 4.618 4.011 18 1HB TYR 4 1HB TYR 4 3.590 2.687 4.124 19 2HB TYR 4 2HB TYR 4 4.118 4.296 3.673 20 HD1 TYR 4 1HD TYR 4 5.729 5.460 4.966 21 HD2 TYR 4 2HD TYR 4 3.884 1.940 6.551 22 HE1 TYR 4 1HE TYR 4 7.392 5.445 6.889 23 HE2 TYR 4 2HE TYR 4 5.552 1.938 8.469 24 HH TYR 4 HH TYR 4 7.275 2.884 9.354 25 H GLU 5 H GLU 5 2.137 1.760 4.216 26 HA GLU 5 HA GLU 5 1.175 0.835 6.672 27 1HB GLU 5 1HB GLU 5 -0.834 1.780 4.744 28 2HB GLU 5 2HB GLU 5 -1.069 0.092 5.151 29 1HG GLU 5 1HG GLU 5 -0.731 2.325 7.209 30 2HG GLU 5 2HG GLU 5 -2.279 1.682 6.696 31 H ASP 6 H ASP 6 3.098 -0.465 6.046 32 HA ASP 6 HA ASP 6 2.895 -2.098 3.747 33 1HB ASP 6 1HB ASP 6 4.725 -2.404 6.173 34 2HB ASP 6 2HB ASP 6 4.974 -3.130 4.597 35 H ARG 7 H ARG 7 1.142 -3.575 3.862 36 HA ARG 7 HA ARG 7 1.429 -5.653 5.780 37 1HB ARG 7 1HB ARG 7 -0.483 -3.521 6.251 38 2HB ARG 7 2HB ARG 7 -1.374 -4.990 5.908 39 1HG ARG 7 1HG ARG 7 -0.379 -6.172 7.729 40 2HG ARG 7 2HG ARG 7 0.951 -5.038 7.861 41 1HD ARG 7 1HD ARG 7 -1.931 -4.184 8.368 42 2HD ARG 7 2HD ARG 7 -0.938 -4.868 9.639 43 HE ARG 7 HE ARG 7 -0.712 -2.194 8.520 44 1HH1 ARG 7 1HH1 ARG 7 0.908 -0.799 9.333 45 2HH1 ARG 7 2HH1 ARG 7 2.176 -1.435 10.326 46 1HH2 ARG 7 1HH2 ARG 7 1.113 -4.778 10.067 47 2HH2 ARG 7 2HH2 ARG 7 2.426 -3.745 10.522 48 H TYR 8 H TYR 8 -1.113 -4.189 3.607 49 HA TYR 8 HA TYR 8 -2.419 -6.254 2.661 50 1HB TYR 8 1HB TYR 8 -1.560 -3.652 1.781 51 2HB TYR 8 2HB TYR 8 -1.252 -4.711 0.419 52 HD1 TYR 8 1HD TYR 8 -3.649 -2.647 1.936 53 HD2 TYR 8 2HD TYR 8 -3.292 -6.354 -0.171 54 HE1 TYR 8 1HE TYR 8 -6.098 -2.513 1.269 55 HE2 TYR 8 2HE TYR 8 -5.743 -6.207 -0.831 56 HH TYR 8 HH TYR 8 -7.665 -3.355 0.004 57 H TYR 9 H TYR 9 -1.851 -8.308 2.149 58 HA TYR 9 HA TYR 9 0.653 -9.213 1.598 59 1HB TYR 9 1HB TYR 9 -1.052 -10.854 0.110 60 2HB TYR 9 2HB TYR 9 -0.867 -10.975 1.849 61 HD1 TYR 9 1HD TYR 9 -3.144 -10.331 -0.835 62 HD2 TYR 9 2HD TYR 9 -2.469 -9.570 3.321 63 HE1 TYR 9 1HE TYR 9 -5.608 -9.786 -0.527 64 HE2 TYR 9 2HE TYR 9 -4.935 -9.027 3.615 65 HH TYR 9 HH TYR 9 -6.877 -8.926 2.681 66 H ARG 10 H ARG 10 2.028 -8.333 0.099 67 HA ARG 10 HA ARG 10 0.980 -7.462 -2.394 68 1HB ARG 10 1HB ARG 10 3.811 -7.629 -1.256 69 2HB ARG 10 2HB ARG 10 3.483 -7.019 -2.866 70 1HG ARG 10 1HG ARG 10 3.219 -4.988 -1.866 71 2HG ARG 10 2HG ARG 10 1.653 -5.583 -1.354 72 1HD ARG 10 1HD ARG 10 2.319 -5.403 0.808 73 2HD ARG 10 2HD ARG 10 3.523 -6.644 0.522 74 HE ARG 10 HE ARG 10 5.131 -4.866 -0.089 75 1HH1 ARG 10 1HH1 ARG 10 6.089 -3.108 1.064 76 2HH1 ARG 10 2HH1 ARG 10 5.065 -1.899 1.764 77 1HH2 ARG 10 1HH2 ARG 10 2.761 -2.297 1.919 78 2HH2 ARG 10 2HH2 ARG 10 2.064 -3.471 0.853 79 H GLU 11 H GLU 11 0.270 -9.225 -3.650 80 HA GLU 11 HA GLU 11 2.194 -11.379 -3.994 81 1HB GLU 11 1HB GLU 11 -0.405 -11.857 -5.234 82 2HB GLU 11 2HB GLU 11 0.431 -12.799 -4.015 83 1HG GLU 11 1HG GLU 11 -0.846 -10.193 -3.176 84 2HG GLU 11 2HG GLU 11 -1.890 -11.568 -3.476 85 H ASN 12 H ASN 12 -0.238 -9.467 -5.918 86 HA ASN 12 HA ASN 12 1.429 -8.487 -7.759 87 1HB ASN 12 1HB ASN 12 2.232 -10.518 -8.654 88 2HB ASN 12 2HB ASN 12 0.733 -11.370 -8.344 89 1HD2 ASN 12 1HD2 ASN 12 -0.048 -11.192 -11.714 90 2HD2 ASN 12 2HD2 ASN 12 0.162 -12.117 -10.264 91 H MET 13 H MET 13 -1.322 -10.760 -8.477 92 HA MET 13 HA MET 13 -2.748 -8.886 -9.914 93 1HB MET 13 1HB MET 13 -3.838 -11.308 -8.377 94 2HB MET 13 2HB MET 13 -4.579 -10.565 -9.780 95 1HG MET 13 1HG MET 13 -2.275 -11.092 -10.971 96 2HG MET 13 2HG MET 13 -2.032 -12.211 -9.645 97 1HE MET 13 1HE MET 13 -1.722 -13.422 -11.934 98 2HE MET 13 2HE MET 13 -2.994 -14.515 -12.531 99 3HE MET 13 3HE MET 13 -2.854 -12.868 -13.192 100 H TYR 14 H TYR 14 -5.404 -8.902 -9.024 101 HA TYR 14 HA TYR 14 -5.432 -6.769 -7.250 102 1HB TYR 14 1HB TYR 14 -7.199 -7.608 -8.930 103 2HB TYR 14 2HB TYR 14 -7.532 -8.946 -7.849 104 HD1 TYR 14 1HD TYR 14 -9.819 -7.485 -8.549 105 HD2 TYR 14 2HD TYR 14 -6.890 -6.455 -5.605 106 HE1 TYR 14 1HE TYR 14 -11.538 -6.068 -7.323 107 HE2 TYR 14 2HE TYR 14 -8.619 -5.042 -4.390 108 HH TYR 14 HH TYR 14 -11.925 -4.746 -5.666 109 H ARG 15 H ARG 15 -4.034 -7.428 -5.451 110 HA ARG 15 HA ARG 15 -5.592 -8.948 -3.539 111 1HB ARG 15 1HB ARG 15 -2.776 -9.487 -4.471 112 2HB ARG 15 2HB ARG 15 -3.101 -9.706 -2.762 113 1HG ARG 15 1HG ARG 15 -5.132 -10.897 -4.604 114 2HG ARG 15 2HG ARG 15 -3.543 -11.633 -4.672 115 1HD ARG 15 1HD ARG 15 -3.577 -12.009 -2.218 116 2HD ARG 15 2HD ARG 15 -5.119 -11.188 -2.090 117 HE ARG 15 HE ARG 15 -6.022 -13.026 -3.632 118 1HH1 ARG 15 1HH1 ARG 15 -3.409 -13.545 -1.331 119 2HH1 ARG 15 2HH1 ARG 15 -3.754 -15.234 -1.166 120 1HH2 ARG 15 1HH2 ARG 15 -5.914 -15.324 -3.957 121 2HH2 ARG 15 2HH2 ARG 15 -5.109 -16.277 -2.755 122 H TYR 16 H TYR 16 -3.993 -6.124 -4.425 123 HA TYR 16 HA TYR 16 -4.288 -4.922 -1.923 124 1HB TYR 16 1HB TYR 16 -2.099 -5.069 -1.047 125 2HB TYR 16 2HB TYR 16 -2.095 -6.571 -1.950 126 HD1 TYR 16 1HD TYR 16 -0.490 -3.417 -1.491 127 HD2 TYR 16 2HD TYR 16 -1.198 -6.481 -4.391 128 HE1 TYR 16 1HE TYR 16 1.503 -2.605 -2.845 129 HE2 TYR 16 2HE TYR 16 0.798 -5.660 -5.736 130 HH TYR 16 HH TYR 16 2.622 -2.800 -4.688 131 HA PRO 17 HA PRO 17 -3.901 -1.552 -4.680 132 1HB PRO 17 1HB PRO 17 -3.720 0.516 -2.811 133 2HB PRO 17 2HB PRO 17 -5.228 -0.241 -3.282 134 1HG PRO 17 1HG PRO 17 -3.714 -0.536 -0.760 135 2HG PRO 17 2HG PRO 17 -5.391 -0.927 -1.086 136 1HD PRO 17 1HD PRO 17 -3.207 -2.775 -0.874 137 2HD PRO 17 2HD PRO 17 -4.861 -3.153 -1.313 138 H ASN 18 H ASN 18 -1.903 -0.306 -1.971 139 HA ASN 18 HA ASN 18 0.508 -0.963 -3.204 140 1HB ASN 18 1HB ASN 18 0.776 1.845 -3.409 141 2HB ASN 18 2HB ASN 18 0.691 0.716 -4.747 142 1HD2 ASN 18 1HD2 ASN 18 -2.231 2.065 -5.977 143 2HD2 ASN 18 2HD2 ASN 18 -0.661 1.375 -6.220 144 H GLN 19 H GLN 19 -0.812 2.069 -1.653 145 HA GLN 19 HA GLN 19 -0.369 3.079 0.217 146 1HB GLN 19 1HB GLN 19 0.349 0.433 1.518 147 2HB GLN 19 2HB GLN 19 -0.433 1.822 2.245 148 1HG GLN 19 1HG GLN 19 -2.244 1.298 0.278 149 2HG GLN 19 2HG GLN 19 -1.602 -0.318 0.495 150 1HE2 GLN 19 1HE2 GLN 19 -2.629 -0.650 3.924 151 2HE2 GLN 19 2HE2 GLN 19 -1.212 -0.835 2.945 152 H VAL 20 H VAL 20 1.733 3.203 -1.558 153 HA VAL 20 HA VAL 20 3.980 3.338 0.277 154 HB VAL 20 HB VAL 20 5.453 2.311 -1.476 155 1HG1 VAL 20 1HG1 VAL 20 3.361 0.451 -0.299 156 2HG1 VAL 20 2HG1 VAL 20 5.024 0.029 -0.774 157 3HG1 VAL 20 3HG1 VAL 20 4.741 1.132 0.595 158 1HG2 VAL 20 1HG2 VAL 20 3.563 0.582 -2.709 159 2HG2 VAL 20 2HG2 VAL 20 2.983 2.249 -2.937 160 3HG2 VAL 20 3HG2 VAL 20 4.618 1.794 -3.476 161 H TYR 21 H TYR 21 3.412 5.628 0.137 162 HA TYR 21 HA TYR 21 4.938 6.989 -1.751 163 1HB TYR 21 1HB TYR 21 2.616 8.080 -2.690 164 2HB TYR 21 2HB TYR 21 3.344 6.693 -3.476 165 HD1 TYR 21 1HD TYR 21 1.485 6.748 -0.236 166 HD2 TYR 21 2HD TYR 21 1.477 5.549 -4.343 167 HE1 TYR 21 1HE TYR 21 -0.640 5.407 0.152 168 HE2 TYR 21 2HE TYR 21 -0.647 4.212 -3.941 169 HH TYR 21 HH TYR 21 -1.890 3.265 -2.294 170 H TYR 22 H TYR 22 3.995 9.483 -1.821 171 HA TYR 22 HA TYR 22 3.620 10.100 1.015 172 1HB TYR 22 1HB TYR 22 4.216 12.454 -0.155 173 2HB TYR 22 2HB TYR 22 5.491 11.284 0.123 174 HD1 TYR 22 1HD TYR 22 2.935 12.114 -2.504 175 HD2 TYR 22 2HD TYR 22 6.916 10.803 -1.644 176 HE1 TYR 22 1HE TYR 22 3.477 12.106 -4.988 177 HE2 TYR 22 2HE TYR 22 7.445 10.800 -4.130 178 HH TYR 22 HH TYR 22 4.943 11.656 -6.506 179 H ARG 23 H ARG 23 1.295 9.126 -0.215 180 HA ARG 23 HA ARG 23 -0.157 11.548 -0.872 181 1HB ARG 23 1HB ARG 23 -0.391 8.680 -1.619 182 2HB ARG 23 2HB ARG 23 -1.931 9.421 -1.231 183 1HG ARG 23 1HG ARG 23 -1.950 10.328 -3.308 184 2HG ARG 23 2HG ARG 23 -0.611 11.349 -2.823 185 1HD ARG 23 1HD ARG 23 0.009 10.116 -4.856 186 2HD ARG 23 2HD ARG 23 1.004 9.563 -3.523 187 HE ARG 23 HE ARG 23 -0.055 7.463 -3.610 188 1HH1 ARG 23 1HH1 ARG 23 -2.817 8.570 -6.333 189 2HH1 ARG 23 2HH1 ARG 23 -1.786 9.769 -5.626 190 1HH2 ARG 23 1HH2 ARG 23 -2.693 6.365 -5.615 191 2HH2 ARG 23 2HH2 ARG 23 -1.465 5.892 -4.489 192 HA PRO 24 HA PRO 24 -2.415 9.401 2.794 193 1HB PRO 24 1HB PRO 24 -0.853 7.649 4.309 194 2HB PRO 24 2HB PRO 24 -1.953 7.129 3.048 195 1HG PRO 24 1HG PRO 24 1.001 7.227 3.005 196 2HG PRO 24 2HG PRO 24 -0.083 6.336 1.956 197 1HD PRO 24 1HD PRO 24 1.311 8.761 1.321 198 2HD PRO 24 2HD PRO 24 0.139 7.932 0.316 199 H VAL 25 H VAL 25 0.486 11.003 2.560 200 HA VAL 25 HA VAL 25 0.887 11.519 5.341 201 HB VAL 25 HB VAL 25 2.472 13.212 4.488 202 1HG1 VAL 25 1HG1 VAL 25 3.993 11.587 3.326 203 2HG1 VAL 25 2HG1 VAL 25 3.295 10.983 4.847 204 3HG1 VAL 25 3HG1 VAL 25 2.640 10.431 3.286 205 1HG2 VAL 25 1HG2 VAL 25 1.227 12.452 1.848 206 2HG2 VAL 25 2HG2 VAL 25 1.569 14.068 2.512 207 3HG2 VAL 25 3HG2 VAL 25 2.904 13.044 1.931 208 H CYS 26 H CYS 26 -1.271 12.640 2.848 209 HA CYS 26 HA CYS 26 -1.671 15.218 4.018 210 1HB CYS 26 1HB CYS 26 -3.154 13.708 1.845 211 2HB CYS 26 2HB CYS 26 -3.591 15.319 2.377 212 HG CYS 26 HG CYS 26 -0.772 15.914 2.193 Start of MODEL 7 1 1H GLY 1 HN1 GLY 1 5.906 11.252 3.630 2 2H GLY 1 HN2 GLY 1 5.083 11.013 2.213 3 3H GLY 1 HN3 GLY 1 6.624 11.618 2.184 4 1HA GLY 1 1HA GLY 1 5.799 8.980 2.084 5 2HA GLY 1 2HA GLY 1 7.425 9.623 1.967 6 H ASN 2 H ASN 2 6.346 10.881 4.840 7 HA ASN 2 HA ASN 2 7.910 9.094 6.326 8 1HB ASN 2 1HB ASN 2 7.228 10.484 8.264 9 2HB ASN 2 2HB ASN 2 7.632 11.515 6.906 10 1HD2 ASN 2 1HD2 ASN 2 5.309 10.639 9.188 11 2HD2 ASN 2 2HD2 ASN 2 3.968 11.576 8.617 12 H ASP 3 H ASP 3 4.514 9.331 5.414 13 HA ASP 3 HA ASP 3 3.784 7.446 7.496 14 1HB ASP 3 1HB ASP 3 2.218 9.277 5.647 15 2HB ASP 3 2HB ASP 3 1.415 7.939 6.445 16 H TYR 4 H TYR 4 2.483 5.499 6.812 17 HA TYR 4 HA TYR 4 2.160 4.865 4.077 18 1HB TYR 4 1HB TYR 4 3.890 2.867 4.397 19 2HB TYR 4 2HB TYR 4 4.532 4.450 4.005 20 HD1 TYR 4 1HD TYR 4 5.953 5.627 5.526 21 HD2 TYR 4 2HD TYR 4 3.966 2.052 6.782 22 HE1 TYR 4 1HE TYR 4 7.390 5.555 7.622 23 HE2 TYR 4 2HE TYR 4 5.410 1.993 8.874 24 HH TYR 4 HH TYR 4 7.533 2.802 9.616 25 H GLU 5 H GLU 5 2.352 2.013 4.305 26 HA GLU 5 HA GLU 5 1.156 1.111 6.655 27 1HB GLU 5 1HB GLU 5 -0.659 2.233 4.637 28 2HB GLU 5 2HB GLU 5 -1.025 0.552 4.965 29 1HG GLU 5 1HG GLU 5 -0.498 2.360 7.321 30 2HG GLU 5 2HG GLU 5 -2.024 2.540 6.480 31 H ASP 6 H ASP 6 3.029 -0.298 6.120 32 HA ASP 6 HA ASP 6 2.821 -1.891 3.780 33 1HB ASP 6 1HB ASP 6 4.608 -2.076 6.250 34 2HB ASP 6 2HB ASP 6 4.785 -3.116 4.851 35 H ARG 7 H ARG 7 1.381 -3.622 3.690 36 HA ARG 7 HA ARG 7 1.415 -5.577 5.675 37 1HB ARG 7 1HB ARG 7 -0.492 -3.421 6.072 38 2HB ARG 7 2HB ARG 7 -1.380 -4.887 5.707 39 1HG ARG 7 1HG ARG 7 -0.422 -6.072 7.559 40 2HG ARG 7 2HG ARG 7 0.871 -4.906 7.750 41 1HD ARG 7 1HD ARG 7 -2.056 -4.142 8.136 42 2HD ARG 7 2HD ARG 7 -1.082 -4.774 9.449 43 HE ARG 7 HE ARG 7 -0.630 -2.184 8.032 44 1HH1 ARG 7 1HH1 ARG 7 0.461 -0.594 9.265 45 2HH1 ARG 7 2HH1 ARG 7 1.167 -1.017 10.789 46 1HH2 ARG 7 1HH2 ARG 7 0.319 -4.428 10.570 47 2HH2 ARG 7 2HH2 ARG 7 1.236 -3.247 11.444 48 H TYR 8 H TYR 8 -1.138 -4.129 3.507 49 HA TYR 8 HA TYR 8 -2.380 -6.177 2.487 50 1HB TYR 8 1HB TYR 8 -1.491 -3.562 1.638 51 2HB TYR 8 2HB TYR 8 -1.211 -4.619 0.270 52 HD1 TYR 8 1HD TYR 8 -3.550 -2.501 1.770 53 HD2 TYR 8 2HD TYR 8 -3.293 -6.257 -0.264 54 HE1 TYR 8 1HE TYR 8 -6.003 -2.328 1.124 55 HE2 TYR 8 2HE TYR 8 -5.746 -6.071 -0.903 56 HH TYR 8 HH TYR 8 -7.730 -3.415 0.316 57 H TYR 9 H TYR 9 -1.674 -8.237 2.131 58 HA TYR 9 HA TYR 9 0.838 -9.051 1.520 59 1HB TYR 9 1HB TYR 9 -0.794 -10.841 0.162 60 2HB TYR 9 2HB TYR 9 -0.628 -10.843 1.907 61 HD1 TYR 9 1HD TYR 9 -2.851 -10.211 -0.893 62 HD2 TYR 9 2HD TYR 9 -2.354 -9.683 3.324 63 HE1 TYR 9 1HE TYR 9 -5.341 -9.761 -0.648 64 HE2 TYR 9 2HE TYR 9 -4.845 -9.235 3.554 65 HH TYR 9 HH TYR 9 -6.663 -8.335 1.986 66 H ARG 10 H ARG 10 2.163 -8.289 -0.068 67 HA ARG 10 HA ARG 10 1.024 -7.454 -2.533 68 1HB ARG 10 1HB ARG 10 3.918 -7.674 -1.568 69 2HB ARG 10 2HB ARG 10 3.474 -7.009 -3.127 70 1HG ARG 10 1HG ARG 10 3.417 -5.021 -1.980 71 2HG ARG 10 2HG ARG 10 1.806 -5.546 -1.533 72 1HD ARG 10 1HD ARG 10 2.449 -6.163 0.638 73 2HD ARG 10 2HD ARG 10 4.103 -6.503 0.172 74 HE ARG 10 HE ARG 10 4.651 -4.260 0.557 75 1HH1 ARG 10 1HH1 ARG 10 4.247 -2.062 1.061 76 2HH1 ARG 10 2HH1 ARG 10 2.621 -1.539 1.348 77 1HH2 ARG 10 1HH2 ARG 10 0.859 -2.895 0.598 78 2HH2 ARG 10 2HH2 ARG 10 1.145 -4.598 0.463 79 H GLU 11 H GLU 11 0.311 -9.124 -3.867 80 HA GLU 11 HA GLU 11 2.156 -11.356 -4.194 81 1HB GLU 11 1HB GLU 11 -0.501 -11.797 -5.327 82 2HB GLU 11 2HB GLU 11 0.373 -12.752 -4.146 83 1HG GLU 11 1HG GLU 11 -0.905 -10.125 -3.323 84 2HG GLU 11 2HG GLU 11 -1.884 -11.573 -3.448 85 H ASN 12 H ASN 12 -0.353 -9.497 -6.073 86 HA ASN 12 HA ASN 12 1.246 -8.518 -7.976 87 1HB ASN 12 1HB ASN 12 2.053 -10.588 -8.816 88 2HB ASN 12 2HB ASN 12 0.536 -11.415 -8.524 89 1HD2 ASN 12 1HD2 ASN 12 -0.314 -11.196 -11.864 90 2HD2 ASN 12 2HD2 ASN 12 -0.175 -12.105 -10.397 91 H MET 13 H MET 13 -1.516 -10.845 -8.476 92 HA MET 13 HA MET 13 -3.008 -9.039 -9.949 93 1HB MET 13 1HB MET 13 -4.162 -11.329 -8.284 94 2HB MET 13 2HB MET 13 -4.736 -10.748 -9.834 95 1HG MET 13 1HG MET 13 -2.552 -11.511 -10.876 96 2HG MET 13 2HG MET 13 -2.087 -12.187 -9.328 97 1HE MET 13 1HE MET 13 -1.642 -14.196 -10.626 98 2HE MET 13 2HE MET 13 -2.841 -15.459 -10.994 99 3HE MET 13 3HE MET 13 -2.545 -14.147 -12.160 100 H TYR 14 H TYR 14 -5.642 -9.124 -8.907 101 HA TYR 14 HA TYR 14 -5.620 -6.900 -7.224 102 1HB TYR 14 1HB TYR 14 -7.458 -7.714 -8.782 103 2HB TYR 14 2HB TYR 14 -7.684 -9.126 -7.770 104 HD1 TYR 14 1HD TYR 14 -10.104 -7.945 -8.138 105 HD2 TYR 14 2HD TYR 14 -7.003 -6.529 -5.554 106 HE1 TYR 14 1HE TYR 14 -11.823 -6.680 -6.757 107 HE2 TYR 14 2HE TYR 14 -8.733 -5.269 -4.181 108 HH TYR 14 HH TYR 14 -12.165 -5.339 -5.104 109 H ARG 15 H ARG 15 -4.089 -7.587 -5.501 110 HA ARG 15 HA ARG 15 -5.585 -9.014 -3.465 111 1HB ARG 15 1HB ARG 15 -2.807 -9.589 -4.496 112 2HB ARG 15 2HB ARG 15 -3.080 -9.783 -2.776 113 1HG ARG 15 1HG ARG 15 -5.170 -10.985 -4.546 114 2HG ARG 15 2HG ARG 15 -3.590 -11.736 -4.636 115 1HD ARG 15 1HD ARG 15 -3.581 -11.991 -2.134 116 2HD ARG 15 2HD ARG 15 -5.176 -11.269 -2.063 117 HE ARG 15 HE ARG 15 -5.860 -13.226 -3.637 118 1HH1 ARG 15 1HH1 ARG 15 -3.086 -13.524 -1.504 119 2HH1 ARG 15 2HH1 ARG 15 -3.368 -15.196 -1.153 120 1HH2 ARG 15 1HH2 ARG 15 -6.284 -15.421 -3.117 121 2HH2 ARG 15 2HH2 ARG 15 -5.198 -16.284 -2.080 122 H TYR 16 H TYR 16 -4.009 -6.228 -4.502 123 HA TYR 16 HA TYR 16 -4.189 -4.944 -2.034 124 1HB TYR 16 1HB TYR 16 -1.982 -5.114 -1.218 125 2HB TYR 16 2HB TYR 16 -2.018 -6.632 -2.094 126 HD1 TYR 16 1HD TYR 16 -0.399 -3.457 -1.761 127 HD2 TYR 16 2HD TYR 16 -1.161 -6.624 -4.536 128 HE1 TYR 16 1HE TYR 16 1.562 -2.691 -3.186 129 HE2 TYR 16 2HE TYR 16 0.803 -5.846 -5.951 130 HH TYR 16 HH TYR 16 2.617 -2.930 -5.070 131 HA PRO 17 HA PRO 17 -3.854 -1.689 -4.935 132 1HB PRO 17 1HB PRO 17 -3.668 0.447 -3.143 133 2HB PRO 17 2HB PRO 17 -5.177 -0.332 -3.576 134 1HG PRO 17 1HG PRO 17 -3.646 -0.530 -1.055 135 2HG PRO 17 2HG PRO 17 -5.323 -0.938 -1.355 136 1HD PRO 17 1HD PRO 17 -3.132 -2.771 -1.091 137 2HD PRO 17 2HD PRO 17 -4.788 -3.169 -1.506 138 H ASN 18 H ASN 18 -1.856 -0.302 -2.302 139 HA ASN 18 HA ASN 18 0.546 -0.989 -3.586 140 1HB ASN 18 1HB ASN 18 0.776 1.838 -3.713 141 2HB ASN 18 2HB ASN 18 0.715 0.737 -5.075 142 1HD2 ASN 18 1HD2 ASN 18 -2.366 1.778 -6.231 143 2HD2 ASN 18 2HD2 ASN 18 -0.893 0.893 -6.452 144 H GLN 19 H GLN 19 -0.615 2.078 -1.992 145 HA GLN 19 HA GLN 19 -0.128 3.036 -0.106 146 1HB GLN 19 1HB GLN 19 0.516 0.368 1.178 147 2HB GLN 19 2HB GLN 19 -0.242 1.772 1.903 148 1HG GLN 19 1HG GLN 19 -2.080 1.308 -0.025 149 2HG GLN 19 2HG GLN 19 -1.444 -0.321 0.101 150 1HE2 GLN 19 1HE2 GLN 19 -2.378 -0.815 3.528 151 2HE2 GLN 19 2HE2 GLN 19 -0.874 -0.703 2.676 152 H VAL 20 H VAL 20 1.925 3.275 -1.816 153 HA VAL 20 HA VAL 20 4.212 3.196 -0.042 154 HB VAL 20 HB VAL 20 5.620 2.226 -1.886 155 1HG1 VAL 20 1HG1 VAL 20 3.503 0.398 -0.700 156 2HG1 VAL 20 2HG1 VAL 20 5.101 -0.094 -1.311 157 3HG1 VAL 20 3HG1 VAL 20 4.980 0.950 0.125 158 1HG2 VAL 20 1HG2 VAL 20 4.228 0.635 -3.409 159 2HG2 VAL 20 2HG2 VAL 20 2.887 1.753 -3.062 160 3HG2 VAL 20 3HG2 VAL 20 4.368 2.355 -3.845 161 H TYR 21 H TYR 21 3.496 5.514 -0.121 162 HA TYR 21 HA TYR 21 5.124 6.956 -1.881 163 1HB TYR 21 1HB TYR 21 2.863 8.085 -2.879 164 2HB TYR 21 2HB TYR 21 3.578 6.692 -3.666 165 HD1 TYR 21 1HD TYR 21 1.485 6.954 -0.561 166 HD2 TYR 21 2HD TYR 21 1.845 5.404 -4.532 167 HE1 TYR 21 1HE TYR 21 -0.685 5.664 -0.261 168 HE2 TYR 21 2HE TYR 21 -0.327 4.119 -4.219 169 HH TYR 21 HH TYR 21 -1.835 3.462 -2.780 170 H TYR 22 H TYR 22 4.168 9.449 -1.881 171 HA TYR 22 HA TYR 22 3.784 9.966 0.963 172 1HB TYR 22 1HB TYR 22 4.188 12.384 -0.189 173 2HB TYR 22 2HB TYR 22 5.541 11.300 0.067 174 HD1 TYR 22 1HD TYR 22 2.916 12.020 -2.522 175 HD2 TYR 22 2HD TYR 22 6.960 10.875 -1.722 176 HE1 TYR 22 1HE TYR 22 3.428 12.059 -5.013 177 HE2 TYR 22 2HE TYR 22 7.458 10.918 -4.215 178 HH TYR 22 HH TYR 22 4.926 11.820 -6.543 179 H ARG 23 H ARG 23 1.452 8.937 0.151 180 HA ARG 23 HA ARG 23 -0.154 11.262 -0.542 181 1HB ARG 23 1HB ARG 23 -0.264 8.402 -1.307 182 2HB ARG 23 2HB ARG 23 -1.817 9.011 -0.771 183 1HG ARG 23 1HG ARG 23 -1.999 9.709 -2.953 184 2HG ARG 23 2HG ARG 23 -1.079 11.085 -2.378 185 1HD ARG 23 1HD ARG 23 0.167 10.412 -4.264 186 2HD ARG 23 2HD ARG 23 1.041 9.639 -2.957 187 HE ARG 23 HE ARG 23 0.336 7.540 -3.740 188 1HH1 ARG 23 1HH1 ARG 23 -2.321 9.021 -6.387 189 2HH1 ARG 23 2HH1 ARG 23 -1.169 10.076 -5.639 190 1HH2 ARG 23 1HH2 ARG 23 -1.962 6.711 -6.235 191 2HH2 ARG 23 2HH2 ARG 23 -0.985 6.092 -4.946 192 HA PRO 24 HA PRO 24 -2.065 9.013 3.257 193 1HB PRO 24 1HB PRO 24 -0.320 7.353 4.674 194 2HB PRO 24 2HB PRO 24 -1.467 6.770 3.484 195 1HG PRO 24 1HG PRO 24 1.469 7.026 3.258 196 2HG PRO 24 2HG PRO 24 0.371 6.073 2.279 197 1HD PRO 24 1HD PRO 24 1.592 8.566 1.557 198 2HD PRO 24 2HD PRO 24 0.406 7.672 0.627 199 H VAL 25 H VAL 25 0.141 11.148 2.770 200 HA VAL 25 HA VAL 25 0.885 11.586 5.555 201 HB VAL 25 HB VAL 25 2.243 13.432 4.560 202 1HG1 VAL 25 1HG1 VAL 25 3.961 11.959 3.633 203 2HG1 VAL 25 2HG1 VAL 25 3.194 11.211 5.054 204 3HG1 VAL 25 3HG1 VAL 25 2.758 10.665 3.417 205 1HG2 VAL 25 1HG2 VAL 25 1.273 12.229 1.947 206 2HG2 VAL 25 2HG2 VAL 25 0.980 13.881 2.544 207 3HG2 VAL 25 3HG2 VAL 25 2.627 13.374 2.100 208 H CYS 26 H CYS 26 -1.480 12.470 3.160 209 HA CYS 26 HA CYS 26 -2.047 15.061 3.797 210 1HB CYS 26 1HB CYS 26 -4.049 12.878 3.127 211 2HB CYS 26 2HB CYS 26 -4.330 14.603 3.002 212 HG CYS 26 HG CYS 26 -2.020 12.780 1.477 Start of MODEL 8 1 1H GLY 1 HN1 GLY 1 6.060 11.217 3.288 2 2H GLY 1 HN2 GLY 1 4.961 10.914 2.088 3 3H GLY 1 HN3 GLY 1 6.459 11.507 1.708 4 1HA GLY 1 1HA GLY 1 5.681 8.899 1.781 5 2HA GLY 1 2HA GLY 1 7.299 9.524 1.529 6 H ASN 2 H ASN 2 6.118 10.649 4.531 7 HA ASN 2 HA ASN 2 7.885 8.857 5.877 8 1HB ASN 2 1HB ASN 2 7.399 10.276 7.863 9 2HB ASN 2 2HB ASN 2 7.791 11.278 6.479 10 1HD2 ASN 2 1HD2 ASN 2 5.323 10.188 8.663 11 2HD2 ASN 2 2HD2 ASN 2 4.016 11.194 8.134 12 H ASP 3 H ASP 3 4.611 8.874 4.911 13 HA ASP 3 HA ASP 3 3.883 7.165 7.159 14 1HB ASP 3 1HB ASP 3 2.148 8.877 5.320 15 2HB ASP 3 2HB ASP 3 1.487 7.724 6.462 16 H TYR 4 H TYR 4 2.518 5.244 6.555 17 HA TYR 4 HA TYR 4 1.969 4.620 3.863 18 1HB TYR 4 1HB TYR 4 3.734 2.607 4.055 19 2HB TYR 4 2HB TYR 4 4.300 4.180 3.527 20 HD1 TYR 4 1HD TYR 4 5.886 5.420 4.807 21 HD2 TYR 4 2HD TYR 4 4.082 1.911 6.462 22 HE1 TYR 4 1HE TYR 4 7.558 5.455 6.722 23 HE2 TYR 4 2HE TYR 4 5.760 1.958 8.372 24 HH TYR 4 HH TYR 4 7.790 2.799 8.960 25 H GLU 5 H GLU 5 2.346 1.722 4.164 26 HA GLU 5 HA GLU 5 1.257 0.879 6.587 27 1HB GLU 5 1HB GLU 5 -0.661 1.854 4.608 28 2HB GLU 5 2HB GLU 5 -0.931 0.155 4.941 29 1HG GLU 5 1HG GLU 5 -0.501 2.094 7.235 30 2HG GLU 5 2HG GLU 5 -2.075 1.980 6.472 31 H ASP 6 H ASP 6 3.123 -0.522 6.142 32 HA ASP 6 HA ASP 6 3.041 -2.172 3.846 33 1HB ASP 6 1HB ASP 6 4.748 -1.934 6.321 34 2HB ASP 6 2HB ASP 6 4.843 -3.429 5.412 35 H ARG 7 H ARG 7 1.247 -3.598 3.828 36 HA ARG 7 HA ARG 7 1.305 -5.664 5.771 37 1HB ARG 7 1HB ARG 7 -0.580 -3.456 6.071 38 2HB ARG 7 2HB ARG 7 -1.465 -4.934 5.748 39 1HG ARG 7 1HG ARG 7 -0.533 -6.051 7.656 40 2HG ARG 7 2HG ARG 7 0.757 -4.876 7.823 41 1HD ARG 7 1HD ARG 7 -2.113 -3.934 8.051 42 2HD ARG 7 2HD ARG 7 -1.388 -4.771 9.409 43 HE ARG 7 HE ARG 7 -0.772 -2.074 8.516 44 1HH1 ARG 7 1HH1 ARG 7 0.890 -0.890 9.627 45 2HH1 ARG 7 2HH1 ARG 7 2.213 -1.800 10.277 46 1HH2 ARG 7 1HH2 ARG 7 0.403 -4.837 10.340 47 2HH2 ARG 7 2HH2 ARG 7 1.649 -3.938 11.142 48 H TYR 8 H TYR 8 -1.405 -4.320 3.759 49 HA TYR 8 HA TYR 8 -2.557 -6.313 2.658 50 1HB TYR 8 1HB TYR 8 -1.736 -3.685 1.837 51 2HB TYR 8 2HB TYR 8 -1.371 -4.710 0.463 52 HD1 TYR 8 1HD TYR 8 -3.832 -2.697 1.902 53 HD2 TYR 8 2HD TYR 8 -3.375 -6.423 -0.151 54 HE1 TYR 8 1HE TYR 8 -6.267 -2.605 1.177 55 HE2 TYR 8 2HE TYR 8 -5.811 -6.318 -0.869 56 HH TYR 8 HH TYR 8 -7.896 -3.655 0.212 57 H TYR 9 H TYR 9 -1.872 -8.364 2.245 58 HA TYR 9 HA TYR 9 0.626 -9.207 1.667 59 1HB TYR 9 1HB TYR 9 -0.987 -10.910 0.185 60 2HB TYR 9 2HB TYR 9 -0.895 -10.977 1.933 61 HD1 TYR 9 1HD TYR 9 -3.038 -10.482 -0.883 62 HD2 TYR 9 2HD TYR 9 -2.602 -9.547 3.269 63 HE1 TYR 9 1HE TYR 9 -5.526 -9.984 -0.726 64 HE2 TYR 9 2HE TYR 9 -5.091 -9.053 3.412 65 HH TYR 9 HH TYR 9 -6.888 -8.251 1.350 66 H ARG 10 H ARG 10 2.037 -8.481 0.146 67 HA ARG 10 HA ARG 10 0.998 -7.515 -2.327 68 1HB ARG 10 1HB ARG 10 3.847 -7.795 -1.249 69 2HB ARG 10 2HB ARG 10 3.477 -7.082 -2.807 70 1HG ARG 10 1HG ARG 10 3.389 -5.126 -1.609 71 2HG ARG 10 2HG ARG 10 1.756 -5.646 -1.245 72 1HD ARG 10 1HD ARG 10 2.294 -6.305 0.936 73 2HD ARG 10 2HD ARG 10 3.954 -6.691 0.530 74 HE ARG 10 HE ARG 10 4.556 -4.483 1.011 75 1HH1 ARG 10 1HH1 ARG 10 4.208 -2.297 1.581 76 2HH1 ARG 10 2HH1 ARG 10 2.606 -1.638 1.543 77 1HH2 ARG 10 1HH2 ARG 10 0.813 -2.983 0.929 78 2HH2 ARG 10 2HH2 ARG 10 1.060 -4.678 0.668 79 H GLU 11 H GLU 11 0.310 -9.150 -3.721 80 HA GLU 11 HA GLU 11 2.162 -11.375 -4.064 81 1HB GLU 11 1HB GLU 11 -0.461 -11.790 -5.276 82 2HB GLU 11 2HB GLU 11 0.379 -12.769 -4.090 83 1HG GLU 11 1HG GLU 11 -0.873 -10.161 -3.204 84 2HG GLU 11 2HG GLU 11 -1.911 -11.548 -3.472 85 H ASN 12 H ASN 12 -0.262 -9.387 -5.920 86 HA ASN 12 HA ASN 12 1.357 -8.369 -7.757 87 1HB ASN 12 1HB ASN 12 2.230 -10.320 -8.724 88 2HB ASN 12 2HB ASN 12 0.805 -11.271 -8.352 89 1HD2 ASN 12 1HD2 ASN 12 -0.046 -11.171 -11.716 90 2HD2 ASN 12 2HD2 ASN 12 0.434 -12.092 -10.330 91 H MET 13 H MET 13 -1.349 -10.720 -8.424 92 HA MET 13 HA MET 13 -2.824 -8.905 -9.894 93 1HB MET 13 1HB MET 13 -3.720 -11.381 -8.314 94 2HB MET 13 2HB MET 13 -4.674 -10.615 -9.569 95 1HG MET 13 1HG MET 13 -2.830 -11.058 -11.222 96 2HG MET 13 2HG MET 13 -1.905 -11.853 -9.964 97 1HE MET 13 1HE MET 13 -1.969 -14.238 -9.548 98 2HE MET 13 2HE MET 13 -2.837 -15.330 -10.654 99 3HE MET 13 3HE MET 13 -1.728 -14.099 -11.306 100 H TYR 14 H TYR 14 -5.480 -9.006 -8.946 101 HA TYR 14 HA TYR 14 -5.523 -6.821 -7.215 102 1HB TYR 14 1HB TYR 14 -7.279 -7.716 -8.888 103 2HB TYR 14 2HB TYR 14 -7.607 -9.024 -7.769 104 HD1 TYR 14 1HD TYR 14 -9.881 -7.539 -8.548 105 HD2 TYR 14 2HD TYR 14 -6.992 -6.521 -5.560 106 HE1 TYR 14 1HE TYR 14 -11.605 -6.095 -7.363 107 HE2 TYR 14 2HE TYR 14 -8.726 -5.080 -4.385 108 HH TYR 14 HH TYR 14 -12.037 -4.843 -5.661 109 H ARG 15 H ARG 15 -4.018 -7.599 -5.480 110 HA ARG 15 HA ARG 15 -5.582 -9.084 -3.531 111 1HB ARG 15 1HB ARG 15 -2.738 -9.530 -4.443 112 2HB ARG 15 2HB ARG 15 -3.094 -9.798 -2.748 113 1HG ARG 15 1HG ARG 15 -4.965 -11.008 -4.780 114 2HG ARG 15 2HG ARG 15 -3.387 -11.745 -4.587 115 1HD ARG 15 1HD ARG 15 -3.826 -11.881 -2.081 116 2HD ARG 15 2HD ARG 15 -5.451 -11.296 -2.378 117 HE ARG 15 HE ARG 15 -6.015 -13.366 -3.409 118 1HH1 ARG 15 1HH1 ARG 15 -2.667 -13.296 -2.339 119 2HH1 ARG 15 2HH1 ARG 15 -2.383 -14.968 -2.695 120 1HH2 ARG 15 1HH2 ARG 15 -5.612 -15.552 -3.971 121 2HH2 ARG 15 2HH2 ARG 15 -4.101 -16.281 -3.542 122 H TYR 16 H TYR 16 -3.865 -6.274 -4.432 123 HA TYR 16 HA TYR 16 -4.271 -5.028 -1.950 124 1HB TYR 16 1HB TYR 16 -2.099 -5.157 -1.020 125 2HB TYR 16 2HB TYR 16 -2.099 -6.688 -1.874 126 HD1 TYR 16 1HD TYR 16 -0.446 -3.554 -1.472 127 HD2 TYR 16 2HD TYR 16 -1.153 -6.683 -4.302 128 HE1 TYR 16 1HE TYR 16 1.590 -2.818 -2.805 129 HE2 TYR 16 2HE TYR 16 0.886 -5.937 -5.625 130 HH TYR 16 HH TYR 16 2.969 -3.347 -4.418 131 HA PRO 17 HA PRO 17 -3.786 -1.693 -4.733 132 1HB PRO 17 1HB PRO 17 -3.653 0.396 -2.883 133 2HB PRO 17 2HB PRO 17 -5.150 -0.361 -3.391 134 1HG PRO 17 1HG PRO 17 -3.716 -0.633 -0.821 135 2HG PRO 17 2HG PRO 17 -5.384 -1.021 -1.194 136 1HD PRO 17 1HD PRO 17 -3.216 -2.876 -0.894 137 2HD PRO 17 2HD PRO 17 -4.857 -3.252 -1.380 138 H ASN 18 H ASN 18 -1.873 -0.406 -1.985 139 HA ASN 18 HA ASN 18 0.573 -1.087 -3.153 140 1HB ASN 18 1HB ASN 18 0.998 1.632 -3.403 141 2HB ASN 18 2HB ASN 18 0.636 0.573 -4.752 142 1HD2 ASN 18 1HD2 ASN 18 -2.143 2.423 -5.618 143 2HD2 ASN 18 2HD2 ASN 18 -0.763 1.469 -6.049 144 H GLN 19 H GLN 19 -0.713 1.978 -1.643 145 HA GLN 19 HA GLN 19 -0.409 2.912 0.292 146 1HB GLN 19 1HB GLN 19 0.527 0.297 1.515 147 2HB GLN 19 2HB GLN 19 -0.342 1.607 2.290 148 1HG GLN 19 1HG GLN 19 -2.133 0.987 0.318 149 2HG GLN 19 2HG GLN 19 -1.381 -0.582 0.527 150 1HE2 GLN 19 1HE2 GLN 19 -2.481 -1.131 3.857 151 2HE2 GLN 19 2HE2 GLN 19 -1.115 -1.329 2.811 152 H VAL 20 H VAL 20 1.670 3.164 -1.541 153 HA VAL 20 HA VAL 20 3.910 3.502 0.275 154 HB VAL 20 HB VAL 20 5.456 2.535 -1.428 155 1HG1 VAL 20 1HG1 VAL 20 3.441 0.602 -0.232 156 2HG1 VAL 20 2HG1 VAL 20 5.094 0.203 -0.760 157 3HG1 VAL 20 3HG1 VAL 20 4.840 1.308 0.612 158 1HG2 VAL 20 1HG2 VAL 20 3.988 0.672 -2.792 159 2HG2 VAL 20 2HG2 VAL 20 2.895 2.077 -2.822 160 3HG2 VAL 20 3HG2 VAL 20 4.548 2.221 -3.467 161 H TYR 21 H TYR 21 3.562 5.746 0.168 162 HA TYR 21 HA TYR 21 4.825 7.120 -1.851 163 1HB TYR 21 1HB TYR 21 2.431 8.150 -2.651 164 2HB TYR 21 2HB TYR 21 3.121 6.755 -3.457 165 HD1 TYR 21 1HD TYR 21 1.438 6.926 -0.118 166 HD2 TYR 21 2HD TYR 21 1.263 5.505 -4.150 167 HE1 TYR 21 1HE TYR 21 -0.638 5.569 0.443 168 HE2 TYR 21 2HE TYR 21 -0.813 4.154 -3.575 169 HH TYR 21 HH TYR 21 -1.921 3.241 -1.773 170 H TYR 22 H TYR 22 3.787 9.591 -1.887 171 HA TYR 22 HA TYR 22 3.592 10.229 0.965 172 1HB TYR 22 1HB TYR 22 4.058 12.585 -0.290 173 2HB TYR 22 2HB TYR 22 5.375 11.461 -0.020 174 HD1 TYR 22 1HD TYR 22 2.666 11.957 -2.584 175 HD2 TYR 22 2HD TYR 22 6.794 11.135 -1.816 176 HE1 TYR 22 1HE TYR 22 3.123 11.881 -5.083 177 HE2 TYR 22 2HE TYR 22 7.237 11.062 -4.318 178 HH TYR 22 HH TYR 22 4.611 11.681 -6.633 179 H ARG 23 H ARG 23 1.212 9.210 -0.039 180 HA ARG 23 HA ARG 23 -0.320 11.589 -0.678 181 1HB ARG 23 1HB ARG 23 -0.614 8.665 -1.253 182 2HB ARG 23 2HB ARG 23 -2.112 9.506 -0.906 183 1HG ARG 23 1HG ARG 23 -1.988 9.894 -3.193 184 2HG ARG 23 2HG ARG 23 -1.131 11.311 -2.621 185 1HD ARG 23 1HD ARG 23 0.410 10.534 -4.187 186 2HD ARG 23 2HD ARG 23 1.002 9.701 -2.764 187 HE ARG 23 HE ARG 23 0.015 7.651 -3.555 188 1HH1 ARG 23 1HH1 ARG 23 -0.691 9.312 -7.158 189 2HH1 ARG 23 2HH1 ARG 23 -0.415 10.338 -5.790 190 1HH2 ARG 23 1HH2 ARG 23 -1.011 7.030 -6.833 191 2HH2 ARG 23 2HH2 ARG 23 -0.731 6.333 -5.272 192 HA PRO 24 HA PRO 24 -2.299 9.518 3.186 193 1HB PRO 24 1HB PRO 24 -0.628 7.806 4.628 194 2HB PRO 24 2HB PRO 24 -1.810 7.254 3.458 195 1HG PRO 24 1HG PRO 24 1.133 7.361 3.210 196 2HG PRO 24 2HG PRO 24 -0.016 6.443 2.257 197 1HD PRO 24 1HD PRO 24 1.320 8.858 1.475 198 2HD PRO 24 2HD PRO 24 0.086 8.003 0.571 199 H VAL 25 H VAL 25 0.209 11.407 2.647 200 HA VAL 25 HA VAL 25 0.897 11.911 5.423 201 HB VAL 25 HB VAL 25 2.467 13.522 4.471 202 1HG1 VAL 25 1HG1 VAL 25 3.987 11.956 3.506 203 2HG1 VAL 25 2HG1 VAL 25 2.996 11.054 4.679 204 3HG1 VAL 25 3HG1 VAL 25 2.660 10.915 2.937 205 1HG2 VAL 25 1HG2 VAL 25 1.074 12.821 1.885 206 2HG2 VAL 25 2HG2 VAL 25 1.425 14.425 2.574 207 3HG2 VAL 25 3HG2 VAL 25 2.744 13.435 1.905 208 H CYS 26 H CYS 26 -1.412 12.867 3.018 209 HA CYS 26 HA CYS 26 -1.753 15.535 3.840 210 1HB CYS 26 1HB CYS 26 -3.843 13.772 2.534 211 2HB CYS 26 2HB CYS 26 -3.743 15.521 2.497 212 HG CYS 26 HG CYS 26 -1.936 15.831 0.892 Start of MODEL 9 1 1H GLY 1 HN1 GLY 1 6.116 11.072 3.645 2 2H GLY 1 HN2 GLY 1 5.128 10.773 2.350 3 3H GLY 1 HN3 GLY 1 6.698 11.236 2.103 4 1HA GLY 1 1HA GLY 1 5.721 8.697 2.237 5 2HA GLY 1 2HA GLY 1 7.398 9.192 2.120 6 H ASN 2 H ASN 2 6.189 10.648 4.908 7 HA ASN 2 HA ASN 2 7.639 8.851 6.531 8 1HB ASN 2 1HB ASN 2 6.876 10.380 8.394 9 2HB ASN 2 2HB ASN 2 7.607 11.253 7.063 10 1HD2 ASN 2 1HD2 ASN 2 4.695 10.527 8.800 11 2HD2 ASN 2 2HD2 ASN 2 3.755 11.853 8.202 12 H ASP 3 H ASP 3 4.525 8.808 5.189 13 HA ASP 3 HA ASP 3 3.532 7.217 7.423 14 1HB ASP 3 1HB ASP 3 2.038 9.014 5.463 15 2HB ASP 3 2HB ASP 3 1.215 7.838 6.468 16 H TYR 4 H TYR 4 2.343 5.253 6.783 17 HA TYR 4 HA TYR 4 1.844 4.621 4.080 18 1HB TYR 4 1HB TYR 4 3.662 2.675 4.261 19 2HB TYR 4 2HB TYR 4 4.207 4.276 3.803 20 HD1 TYR 4 1HD TYR 4 5.744 5.491 5.157 21 HD2 TYR 4 2HD TYR 4 3.940 1.917 6.665 22 HE1 TYR 4 1HE TYR 4 7.360 5.496 7.120 23 HE2 TYR 4 2HE TYR 4 5.561 1.934 8.624 24 HH TYR 4 HH TYR 4 7.017 3.170 9.741 25 H GLU 5 H GLU 5 2.222 1.755 4.317 26 HA GLU 5 HA GLU 5 1.176 0.845 6.740 27 1HB GLU 5 1HB GLU 5 -0.771 1.795 4.754 28 2HB GLU 5 2HB GLU 5 -1.025 0.107 5.152 29 1HG GLU 5 1HG GLU 5 -0.499 1.955 7.459 30 2HG GLU 5 2HG GLU 5 -2.036 2.152 6.640 31 H ASP 6 H ASP 6 3.159 -0.410 6.099 32 HA ASP 6 HA ASP 6 3.020 -2.055 3.825 33 1HB ASP 6 1HB ASP 6 4.772 -1.953 6.303 34 2HB ASP 6 2HB ASP 6 4.939 -3.277 5.168 35 H ARG 7 H ARG 7 1.381 -3.630 3.775 36 HA ARG 7 HA ARG 7 1.525 -5.698 5.682 37 1HB ARG 7 1HB ARG 7 -0.374 -3.562 6.167 38 2HB ARG 7 2HB ARG 7 -1.275 -5.006 5.750 39 1HG ARG 7 1HG ARG 7 -0.230 -6.285 7.528 40 2HG ARG 7 2HG ARG 7 0.968 -5.038 7.814 41 1HD ARG 7 1HD ARG 7 -1.996 -4.430 8.124 42 2HD ARG 7 2HD ARG 7 -1.102 -5.188 9.427 43 HE ARG 7 HE ARG 7 -0.819 -2.417 8.485 44 1HH1 ARG 7 1HH1 ARG 7 0.512 -1.026 9.716 45 2HH1 ARG 7 2HH1 ARG 7 1.579 -1.684 10.912 46 1HH2 ARG 7 1HH2 ARG 7 0.675 -5.033 10.304 47 2HH2 ARG 7 2HH2 ARG 7 1.712 -3.982 11.209 48 H TYR 8 H TYR 8 -1.182 -4.289 3.690 49 HA TYR 8 HA TYR 8 -2.399 -6.259 2.600 50 1HB TYR 8 1HB TYR 8 -1.504 -3.655 1.779 51 2HB TYR 8 2HB TYR 8 -1.168 -4.690 0.405 52 HD1 TYR 8 1HD TYR 8 -3.570 -2.605 1.839 53 HD2 TYR 8 2HD TYR 8 -3.222 -6.349 -0.202 54 HE1 TYR 8 1HE TYR 8 -6.002 -2.444 1.115 55 HE2 TYR 8 2HE TYR 8 -5.655 -6.176 -0.919 56 HH TYR 8 HH TYR 8 -7.566 -3.296 -0.129 57 H TYR 9 H TYR 9 -1.783 -8.327 2.170 58 HA TYR 9 HA TYR 9 0.698 -9.236 1.596 59 1HB TYR 9 1HB TYR 9 -1.019 -10.859 0.090 60 2HB TYR 9 2HB TYR 9 -0.820 -11.001 1.825 61 HD1 TYR 9 1HD TYR 9 -3.099 -10.233 -0.847 62 HD2 TYR 9 2HD TYR 9 -2.421 -9.689 3.342 63 HE1 TYR 9 1HE TYR 9 -5.558 -9.682 -0.513 64 HE2 TYR 9 2HE TYR 9 -4.882 -9.140 3.662 65 HH TYR 9 HH TYR 9 -6.799 -8.861 2.717 66 H ARG 10 H ARG 10 2.128 -8.592 0.060 67 HA ARG 10 HA ARG 10 1.114 -7.571 -2.401 68 1HB ARG 10 1HB ARG 10 3.939 -7.964 -1.302 69 2HB ARG 10 2HB ARG 10 3.635 -7.302 -2.896 70 1HG ARG 10 1HG ARG 10 3.613 -5.291 -1.794 71 2HG ARG 10 2HG ARG 10 1.956 -5.722 -1.423 72 1HD ARG 10 1HD ARG 10 2.456 -6.338 0.788 73 2HD ARG 10 2HD ARG 10 4.115 -6.757 0.414 74 HE ARG 10 HE ARG 10 4.736 -4.543 0.832 75 1HH1 ARG 10 1HH1 ARG 10 4.339 -2.419 1.614 76 2HH1 ARG 10 2HH1 ARG 10 2.825 -1.660 1.249 77 1HH2 ARG 10 1HH2 ARG 10 1.026 -2.978 0.574 78 2HH2 ARG 10 2HH2 ARG 10 1.305 -4.609 0.062 79 H GLU 11 H GLU 11 0.373 -9.128 -3.844 80 HA GLU 11 HA GLU 11 2.112 -11.442 -4.204 81 1HB GLU 11 1HB GLU 11 -0.565 -11.727 -5.356 82 2HB GLU 11 2HB GLU 11 0.279 -12.776 -4.233 83 1HG GLU 11 1HG GLU 11 -0.850 -10.149 -3.234 84 2HG GLU 11 2HG GLU 11 -1.932 -11.505 -3.479 85 H ASN 12 H ASN 12 -0.336 -9.463 -6.042 86 HA ASN 12 HA ASN 12 1.301 -8.455 -7.898 87 1HB ASN 12 1HB ASN 12 2.085 -10.457 -8.857 88 2HB ASN 12 2HB ASN 12 0.610 -11.332 -8.496 89 1HD2 ASN 12 1HD2 ASN 12 -0.368 -11.132 -11.804 90 2HD2 ASN 12 2HD2 ASN 12 -0.212 -12.018 -10.323 91 H MET 13 H MET 13 -1.510 -10.711 -8.459 92 HA MET 13 HA MET 13 -2.952 -8.846 -9.911 93 1HB MET 13 1HB MET 13 -3.978 -11.247 -8.297 94 2HB MET 13 2HB MET 13 -4.817 -10.495 -9.638 95 1HG MET 13 1HG MET 13 -2.738 -11.048 -11.077 96 2HG MET 13 2HG MET 13 -2.187 -12.037 -9.739 97 1HE MET 13 1HE MET 13 -2.565 -14.612 -11.431 98 2HE MET 13 2HE MET 13 -3.630 -14.128 -12.772 99 3HE MET 13 3HE MET 13 -2.296 -13.064 -12.266 100 H TYR 14 H TYR 14 -5.598 -8.925 -8.857 101 HA TYR 14 HA TYR 14 -5.537 -6.716 -7.148 102 1HB TYR 14 1HB TYR 14 -7.382 -7.506 -8.730 103 2HB TYR 14 2HB TYR 14 -7.651 -8.895 -7.696 104 HD1 TYR 14 1HD TYR 14 -9.997 -7.483 -8.210 105 HD2 TYR 14 2HD TYR 14 -6.940 -6.451 -5.401 106 HE1 TYR 14 1HE TYR 14 -11.683 -6.147 -6.855 107 HE2 TYR 14 2HE TYR 14 -8.636 -5.119 -4.055 108 HH TYR 14 HH TYR 14 -12.009 -4.866 -5.152 109 H ARG 15 H ARG 15 -3.994 -7.503 -5.456 110 HA ARG 15 HA ARG 15 -5.524 -8.919 -3.435 111 1HB ARG 15 1HB ARG 15 -2.759 -9.524 -4.481 112 2HB ARG 15 2HB ARG 15 -3.028 -9.739 -2.763 113 1HG ARG 15 1HG ARG 15 -5.168 -10.877 -4.498 114 2HG ARG 15 2HG ARG 15 -3.600 -11.636 -4.689 115 1HD ARG 15 1HD ARG 15 -3.488 -11.920 -2.167 116 2HD ARG 15 2HD ARG 15 -5.117 -11.283 -2.059 117 HE ARG 15 HE ARG 15 -5.634 -13.250 -3.757 118 1HH1 ARG 15 1HH1 ARG 15 -2.850 -13.565 -1.696 119 2HH1 ARG 15 2HH1 ARG 15 -3.274 -15.136 -1.102 120 1HH2 ARG 15 1HH2 ARG 15 -6.341 -15.288 -2.825 121 2HH2 ARG 15 2HH2 ARG 15 -5.177 -16.197 -1.920 122 H TYR 16 H TYR 16 -3.926 -6.134 -4.419 123 HA TYR 16 HA TYR 16 -4.076 -4.896 -1.930 124 1HB TYR 16 1HB TYR 16 -1.882 -5.136 -1.110 125 2HB TYR 16 2HB TYR 16 -1.919 -6.615 -2.049 126 HD1 TYR 16 1HD TYR 16 -0.292 -3.463 -1.575 127 HD2 TYR 16 2HD TYR 16 -1.046 -6.509 -4.483 128 HE1 TYR 16 1HE TYR 16 1.681 -2.644 -2.955 129 HE2 TYR 16 2HE TYR 16 0.929 -5.680 -5.853 130 HH TYR 16 HH TYR 16 2.724 -2.793 -4.863 131 HA PRO 17 HA PRO 17 -3.704 -1.600 -4.780 132 1HB PRO 17 1HB PRO 17 -3.522 0.504 -2.951 133 2HB PRO 17 2HB PRO 17 -5.031 -0.257 -3.411 134 1HG PRO 17 1HG PRO 17 -3.525 -0.508 -0.880 135 2HG PRO 17 2HG PRO 17 -5.202 -0.900 -1.202 136 1HD PRO 17 1HD PRO 17 -3.025 -2.751 -0.949 137 2HD PRO 17 2HD PRO 17 -4.679 -3.132 -1.385 138 H ASN 18 H ASN 18 -1.735 -0.227 -2.125 139 HA ASN 18 HA ASN 18 0.685 -0.933 -3.354 140 1HB ASN 18 1HB ASN 18 0.922 1.892 -3.533 141 2HB ASN 18 2HB ASN 18 0.889 0.763 -4.873 142 1HD2 ASN 18 1HD2 ASN 18 -2.018 2.073 -6.165 143 2HD2 ASN 18 2HD2 ASN 18 -0.566 1.147 -6.351 144 H GLN 19 H GLN 19 -0.568 2.128 -1.809 145 HA GLN 19 HA GLN 19 -0.158 3.100 0.087 146 1HB GLN 19 1HB GLN 19 0.707 0.529 1.417 147 2HB GLN 19 2HB GLN 19 -0.247 1.843 2.076 148 1HG GLN 19 1HG GLN 19 -1.878 1.055 0.010 149 2HG GLN 19 2HG GLN 19 -1.112 -0.473 0.395 150 1HE2 GLN 19 1HE2 GLN 19 -2.372 -0.701 3.736 151 2HE2 GLN 19 2HE2 GLN 19 -0.866 -0.801 2.885 152 H VAL 20 H VAL 20 1.928 3.166 -1.787 153 HA VAL 20 HA VAL 20 4.208 3.373 0.018 154 HB VAL 20 HB VAL 20 5.607 2.464 -1.932 155 1HG1 VAL 20 1HG1 VAL 20 3.854 0.485 -0.442 156 2HG1 VAL 20 2HG1 VAL 20 5.499 0.219 -1.066 157 3HG1 VAL 20 3HG1 VAL 20 5.230 1.351 0.281 158 1HG2 VAL 20 1HG2 VAL 20 4.241 0.592 -3.137 159 2HG2 VAL 20 2HG2 VAL 20 2.837 1.617 -2.752 160 3HG2 VAL 20 3HG2 VAL 20 4.166 2.263 -3.744 161 H TYR 21 H TYR 21 3.513 5.653 -0.071 162 HA TYR 21 HA TYR 21 4.989 7.098 -1.949 163 1HB TYR 21 1HB TYR 21 2.626 8.144 -2.828 164 2HB TYR 21 2HB TYR 21 3.368 6.786 -3.650 165 HD1 TYR 21 1HD TYR 21 1.400 6.983 -0.457 166 HD2 TYR 21 2HD TYR 21 1.681 5.383 -4.416 167 HE1 TYR 21 1HE TYR 21 -0.687 5.589 -0.050 168 HE2 TYR 21 2HE TYR 21 -0.407 3.995 -3.995 169 HH TYR 21 HH TYR 21 -1.871 3.348 -2.535 170 H TYR 22 H TYR 22 4.115 9.566 -1.910 171 HA TYR 22 HA TYR 22 3.689 10.098 0.933 172 1HB TYR 22 1HB TYR 22 4.323 12.478 -0.113 173 2HB TYR 22 2HB TYR 22 5.587 11.275 0.053 174 HD1 TYR 22 1HD TYR 22 2.868 11.769 -2.497 175 HD2 TYR 22 2HD TYR 22 7.064 11.434 -1.727 176 HE1 TYR 22 1HE TYR 22 3.345 11.918 -4.990 177 HE2 TYR 22 2HE TYR 22 7.526 11.585 -4.223 178 HH TYR 22 HH TYR 22 4.860 12.045 -6.525 179 H ARG 23 H ARG 23 1.356 9.176 -0.200 180 HA ARG 23 HA ARG 23 -0.082 11.607 -0.871 181 1HB ARG 23 1HB ARG 23 -0.409 8.706 -1.556 182 2HB ARG 23 2HB ARG 23 -1.901 9.587 -1.295 183 1HG ARG 23 1HG ARG 23 -1.728 10.520 -3.352 184 2HG ARG 23 2HG ARG 23 -0.211 11.270 -2.896 185 1HD ARG 23 1HD ARG 23 -0.054 9.747 -4.927 186 2HD ARG 23 2HD ARG 23 1.075 9.354 -3.645 187 HE ARG 23 HE ARG 23 -0.277 7.436 -3.052 188 1HH1 ARG 23 1HH1 ARG 23 -2.017 7.538 -6.654 189 2HH1 ARG 23 2HH1 ARG 23 -0.904 8.787 -6.204 190 1HH2 ARG 23 1HH2 ARG 23 -2.853 6.101 -5.028 191 2HH2 ARG 23 2HH2 ARG 23 -2.251 6.187 -3.406 192 HA PRO 24 HA PRO 24 -2.357 9.451 2.776 193 1HB PRO 24 1HB PRO 24 -0.844 7.611 4.236 194 2HB PRO 24 2HB PRO 24 -1.970 7.159 2.971 195 1HG PRO 24 1HG PRO 24 0.985 7.159 2.908 196 2HG PRO 24 2HG PRO 24 -0.136 6.331 1.845 197 1HD PRO 24 1HD PRO 24 1.335 8.722 1.259 198 2HD PRO 24 2HD PRO 24 0.129 7.958 0.243 199 H VAL 25 H VAL 25 0.224 11.277 2.476 200 HA VAL 25 HA VAL 25 0.823 11.607 5.290 201 HB VAL 25 HB VAL 25 2.376 13.334 4.449 202 1HG1 VAL 25 1HG1 VAL 25 3.930 11.789 3.335 203 2HG1 VAL 25 2HG1 VAL 25 3.116 11.009 4.713 204 3HG1 VAL 25 3HG1 VAL 25 2.596 10.646 3.050 205 1HG2 VAL 25 1HG2 VAL 25 1.202 12.561 1.764 206 2HG2 VAL 25 2HG2 VAL 25 1.279 14.176 2.509 207 3HG2 VAL 25 3HG2 VAL 25 2.770 13.384 1.944 208 H CYS 26 H CYS 26 -1.435 12.738 2.911 209 HA CYS 26 HA CYS 26 -1.795 15.335 3.955 210 1HB CYS 26 1HB CYS 26 -3.615 13.607 2.247 211 2HB CYS 26 2HB CYS 26 -3.912 15.292 2.622 212 HG CYS 26 HG CYS 26 -0.910 15.128 1.874 Start of MODEL 10 1 1H GLY 1 HN1 GLY 1 5.908 11.129 3.703 2 2H GLY 1 HN2 GLY 1 4.953 10.741 2.406 3 3H GLY 1 HN3 GLY 1 6.437 11.435 2.164 4 1HA GLY 1 1HA GLY 1 5.853 8.787 2.170 5 2HA GLY 1 2HA GLY 1 7.443 9.523 2.120 6 H ASN 2 H ASN 2 5.991 10.638 4.949 7 HA ASN 2 HA ASN 2 7.587 8.834 6.484 8 1HB ASN 2 1HB ASN 2 7.060 10.326 8.365 9 2HB ASN 2 2HB ASN 2 7.454 11.313 6.971 10 1HD2 ASN 2 1HD2 ASN 2 5.275 10.753 9.420 11 2HD2 ASN 2 2HD2 ASN 2 3.872 11.576 8.823 12 H ASP 3 H ASP 3 4.348 9.058 5.310 13 HA ASP 3 HA ASP 3 3.418 7.332 7.469 14 1HB ASP 3 1HB ASP 3 2.274 9.647 6.894 15 2HB ASP 3 2HB ASP 3 1.600 8.788 5.523 16 H TYR 4 H TYR 4 2.316 5.358 6.821 17 HA TYR 4 HA TYR 4 1.630 4.819 4.139 18 1HB TYR 4 1HB TYR 4 3.516 2.919 4.120 19 2HB TYR 4 2HB TYR 4 3.965 4.548 3.657 20 HD1 TYR 4 1HD TYR 4 5.640 5.725 4.838 21 HD2 TYR 4 2HD TYR 4 3.944 2.188 6.547 22 HE1 TYR 4 1HE TYR 4 7.411 5.748 6.662 23 HE2 TYR 4 2HE TYR 4 5.721 2.223 8.365 24 HH TYR 4 HH TYR 4 7.417 3.258 9.201 25 H GLU 5 H GLU 5 2.111 1.959 4.228 26 HA GLU 5 HA GLU 5 1.233 0.951 6.694 27 1HB GLU 5 1HB GLU 5 -0.826 1.849 4.811 28 2HB GLU 5 2HB GLU 5 -0.977 0.135 5.140 29 1HG GLU 5 1HG GLU 5 -0.584 2.113 7.413 30 2HG GLU 5 2HG GLU 5 -2.178 1.840 6.737 31 H ASP 6 H ASP 6 2.981 -0.498 6.339 32 HA ASP 6 HA ASP 6 3.004 -1.998 3.908 33 1HB ASP 6 1HB ASP 6 4.735 -1.738 6.355 34 2HB ASP 6 2HB ASP 6 4.855 -3.242 5.464 35 H ARG 7 H ARG 7 1.341 -3.553 3.813 36 HA ARG 7 HA ARG 7 1.481 -5.674 5.668 37 1HB ARG 7 1HB ARG 7 -0.470 -3.558 6.134 38 2HB ARG 7 2HB ARG 7 -1.317 -5.041 5.738 39 1HG ARG 7 1HG ARG 7 -0.462 -6.199 7.600 40 2HG ARG 7 2HG ARG 7 0.965 -5.188 7.711 41 1HD ARG 7 1HD ARG 7 -1.822 -4.077 8.249 42 2HD ARG 7 2HD ARG 7 -0.879 -4.844 9.511 43 HE ARG 7 HE ARG 7 -0.339 -2.238 8.254 44 1HH1 ARG 7 1HH1 ARG 7 1.254 -0.930 9.266 45 2HH1 ARG 7 2HH1 ARG 7 2.509 -1.694 10.184 46 1HH2 ARG 7 1HH2 ARG 7 0.873 -4.817 10.319 47 2HH2 ARG 7 2HH2 ARG 7 2.236 -3.904 10.874 48 H TYR 8 H TYR 8 -1.296 -4.307 3.757 49 HA TYR 8 HA TYR 8 -2.430 -6.266 2.587 50 1HB TYR 8 1HB TYR 8 -1.627 -3.602 1.850 51 2HB TYR 8 2HB TYR 8 -1.288 -4.580 0.437 52 HD1 TYR 8 1HD TYR 8 -3.700 -2.576 1.919 53 HD2 TYR 8 2HD TYR 8 -3.324 -6.316 -0.125 54 HE1 TYR 8 1HE TYR 8 -6.149 -2.463 1.246 55 HE2 TYR 8 2HE TYR 8 -5.774 -6.189 -0.792 56 HH TYR 8 HH TYR 8 -7.721 -3.343 0.028 57 H TYR 9 H TYR 9 -1.651 -8.301 2.199 58 HA TYR 9 HA TYR 9 0.839 -9.062 1.518 59 1HB TYR 9 1HB TYR 9 -0.747 -10.809 0.078 60 2HB TYR 9 2HB TYR 9 -0.639 -10.866 1.826 61 HD1 TYR 9 1HD TYR 9 -2.792 -10.277 -1.009 62 HD2 TYR 9 2HD TYR 9 -2.403 -9.653 3.205 63 HE1 TYR 9 1HE TYR 9 -5.292 -9.853 -0.834 64 HE2 TYR 9 2HE TYR 9 -4.905 -9.232 3.367 65 HH TYR 9 HH TYR 9 -6.701 -8.500 1.934 66 H ARG 10 H ARG 10 2.191 -8.331 -0.048 67 HA ARG 10 HA ARG 10 1.058 -7.327 -2.464 68 1HB ARG 10 1HB ARG 10 3.971 -7.647 -1.579 69 2HB ARG 10 2HB ARG 10 3.465 -6.800 -3.027 70 1HG ARG 10 1HG ARG 10 3.552 -4.986 -1.593 71 2HG ARG 10 2HG ARG 10 1.899 -5.477 -1.278 72 1HD ARG 10 1HD ARG 10 2.409 -6.377 0.819 73 2HD ARG 10 2HD ARG 10 4.047 -6.802 0.364 74 HE ARG 10 HE ARG 10 4.743 -4.725 1.158 75 1HH1 ARG 10 1HH1 ARG 10 4.532 -2.537 1.827 76 2HH1 ARG 10 2HH1 ARG 10 3.058 -1.691 1.495 77 1HH2 ARG 10 1HH2 ARG 10 1.146 -2.912 0.949 78 2HH2 ARG 10 2HH2 ARG 10 1.268 -4.615 0.658 79 H GLU 11 H GLU 11 0.283 -8.999 -3.787 80 HA GLU 11 HA GLU 11 2.142 -11.190 -4.260 81 1HB GLU 11 1HB GLU 11 -0.545 -11.566 -5.365 82 2HB GLU 11 2HB GLU 11 0.361 -12.594 -4.273 83 1HG GLU 11 1HG GLU 11 -0.866 -10.024 -3.234 84 2HG GLU 11 2HG GLU 11 -1.876 -11.440 -3.446 85 H ASN 12 H ASN 12 -0.382 -9.235 -6.017 86 HA ASN 12 HA ASN 12 1.162 -8.163 -7.894 87 1HB ASN 12 1HB ASN 12 2.030 -10.074 -8.930 88 2HB ASN 12 2HB ASN 12 0.658 -11.070 -8.484 89 1HD2 ASN 12 1HD2 ASN 12 -0.477 -10.988 -11.752 90 2HD2 ASN 12 2HD2 ASN 12 0.002 -11.884 -10.349 91 H MET 13 H MET 13 -1.531 -10.550 -8.483 92 HA MET 13 HA MET 13 -3.083 -8.728 -9.874 93 1HB MET 13 1HB MET 13 -4.057 -11.177 -8.308 94 2HB MET 13 2HB MET 13 -4.812 -10.485 -9.730 95 1HG MET 13 1HG MET 13 -2.531 -10.969 -10.933 96 2HG MET 13 2HG MET 13 -2.180 -12.001 -9.561 97 1HE MET 13 1HE MET 13 -3.760 -13.990 -8.778 98 2HE MET 13 2HE MET 13 -4.069 -15.118 -10.120 99 3HE MET 13 3HE MET 13 -2.452 -14.405 -9.912 100 H TYR 14 H TYR 14 -5.704 -8.908 -8.851 101 HA TYR 14 HA TYR 14 -5.755 -6.769 -7.076 102 1HB TYR 14 1HB TYR 14 -7.568 -7.627 -8.657 103 2HB TYR 14 2HB TYR 14 -7.747 -9.052 -7.652 104 HD1 TYR 14 1HD TYR 14 -10.197 -7.897 -8.028 105 HD2 TYR 14 2HD TYR 14 -7.132 -6.491 -5.394 106 HE1 TYR 14 1HE TYR 14 -11.943 -6.690 -6.628 107 HE2 TYR 14 2HE TYR 14 -8.888 -5.289 -4.004 108 HH TYR 14 HH TYR 14 -12.332 -5.579 -4.808 109 H ARG 15 H ARG 15 -4.172 -7.471 -5.399 110 HA ARG 15 HA ARG 15 -5.596 -9.012 -3.395 111 1HB ARG 15 1HB ARG 15 -2.795 -9.442 -4.452 112 2HB ARG 15 2HB ARG 15 -3.085 -9.748 -2.751 113 1HG ARG 15 1HG ARG 15 -5.084 -10.909 -4.665 114 2HG ARG 15 2HG ARG 15 -3.483 -11.621 -4.691 115 1HD ARG 15 1HD ARG 15 -3.638 -11.889 -2.157 116 2HD ARG 15 2HD ARG 15 -5.300 -11.341 -2.250 117 HE ARG 15 HE ARG 15 -5.909 -13.362 -3.378 118 1HH1 ARG 15 1HH1 ARG 15 -2.652 -13.406 -2.116 119 2HH1 ARG 15 2HH1 ARG 15 -2.343 -15.039 -2.602 120 1HH2 ARG 15 1HH2 ARG 15 -5.390 -15.419 -4.322 121 2HH2 ARG 15 2HH2 ARG 15 -3.832 -16.117 -4.028 122 H TYR 16 H TYR 16 -3.998 -6.177 -4.372 123 HA TYR 16 HA TYR 16 -4.250 -4.940 -1.881 124 1HB TYR 16 1HB TYR 16 -2.054 -5.108 -1.027 125 2HB TYR 16 2HB TYR 16 -2.079 -6.619 -1.914 126 HD1 TYR 16 1HD TYR 16 -0.444 -3.466 -1.519 127 HD2 TYR 16 2HD TYR 16 -1.192 -6.583 -4.352 128 HE1 TYR 16 1HE TYR 16 1.544 -2.695 -2.902 129 HE2 TYR 16 2HE TYR 16 0.800 -5.802 -5.726 130 HH TYR 16 HH TYR 16 2.732 -3.008 -4.672 131 HA PRO 17 HA PRO 17 -3.859 -1.621 -4.700 132 1HB PRO 17 1HB PRO 17 -3.695 0.475 -2.861 133 2HB PRO 17 2HB PRO 17 -5.199 -0.290 -3.333 134 1HG PRO 17 1HG PRO 17 -3.706 -0.546 -0.794 135 2HG PRO 17 2HG PRO 17 -5.380 -0.944 -1.128 136 1HD PRO 17 1HD PRO 17 -3.197 -2.787 -0.871 137 2HD PRO 17 2HD PRO 17 -4.847 -3.172 -1.318 138 H ASN 18 H ASN 18 -1.891 -0.314 -2.001 139 HA ASN 18 HA ASN 18 0.527 -0.979 -3.249 140 1HB ASN 18 1HB ASN 18 0.836 1.810 -3.391 141 2HB ASN 18 2HB ASN 18 0.656 0.735 -4.764 142 1HD2 ASN 18 1HD2 ASN 18 -2.238 2.278 -5.817 143 2HD2 ASN 18 2HD2 ASN 18 -0.798 1.374 -6.145 144 H GLN 19 H GLN 19 -0.744 2.032 -1.623 145 HA GLN 19 HA GLN 19 -0.313 2.971 0.286 146 1HB GLN 19 1HB GLN 19 0.465 0.321 1.529 147 2HB GLN 19 2HB GLN 19 -0.387 1.665 2.264 148 1HG GLN 19 1HG GLN 19 -2.277 1.207 0.542 149 2HG GLN 19 2HG GLN 19 -1.454 -0.301 0.196 150 1HE2 GLN 19 1HE2 GLN 19 -1.753 -1.397 3.725 151 2HE2 GLN 19 2HE2 GLN 19 -0.696 -1.444 2.355 152 H VAL 20 H VAL 20 1.783 3.088 -1.545 153 HA VAL 20 HA VAL 20 4.039 3.251 0.278 154 HB VAL 20 HB VAL 20 5.507 2.224 -1.480 155 1HG1 VAL 20 1HG1 VAL 20 3.424 0.412 -0.213 156 2HG1 VAL 20 2HG1 VAL 20 5.027 -0.088 -0.803 157 3HG1 VAL 20 3HG1 VAL 20 4.895 1.030 0.576 158 1HG2 VAL 20 1HG2 VAL 20 4.050 0.461 -2.865 159 2HG2 VAL 20 2HG2 VAL 20 2.838 1.759 -2.736 160 3HG2 VAL 20 3HG2 VAL 20 4.418 2.089 -3.485 161 H TYR 21 H TYR 21 3.620 5.533 0.173 162 HA TYR 21 HA TYR 21 5.081 6.899 -1.715 163 1HB TYR 21 1HB TYR 21 2.825 7.964 -2.762 164 2HB TYR 21 2HB TYR 21 3.508 6.509 -3.461 165 HD1 TYR 21 1HD TYR 21 1.616 6.777 -0.254 166 HD2 TYR 21 2HD TYR 21 1.588 5.434 -4.316 167 HE1 TYR 21 1HE TYR 21 -0.570 5.547 0.161 168 HE2 TYR 21 2HE TYR 21 -0.598 4.209 -3.888 169 HH TYR 21 HH TYR 21 -1.907 3.391 -2.237 170 H TYR 22 H TYR 22 4.238 9.382 -1.788 171 HA TYR 22 HA TYR 22 3.750 10.013 1.020 172 1HB TYR 22 1HB TYR 22 4.346 12.366 -0.173 173 2HB TYR 22 2HB TYR 22 5.624 11.218 0.175 174 HD1 TYR 22 1HD TYR 22 3.188 12.065 -2.552 175 HD2 TYR 22 2HD TYR 22 7.081 10.611 -1.536 176 HE1 TYR 22 1HE TYR 22 3.817 12.008 -5.014 177 HE2 TYR 22 2HE TYR 22 7.698 10.560 -4.001 178 HH TYR 22 HH TYR 22 6.209 12.186 -6.264 179 H ARG 23 H ARG 23 1.436 9.035 -0.110 180 HA ARG 23 HA ARG 23 -0.010 11.430 -0.883 181 1HB ARG 23 1HB ARG 23 -0.220 8.552 -1.565 182 2HB ARG 23 2HB ARG 23 -1.771 9.264 -1.166 183 1HG ARG 23 1HG ARG 23 -1.768 9.918 -3.363 184 2HG ARG 23 2HG ARG 23 -0.767 11.234 -2.781 185 1HD ARG 23 1HD ARG 23 0.575 10.419 -4.517 186 2HD ARG 23 2HD ARG 23 1.232 9.519 -3.165 187 HE ARG 23 HE ARG 23 0.267 7.539 -4.012 188 1HH1 ARG 23 1HH1 ARG 23 -1.641 9.384 -7.050 189 2HH1 ARG 23 2HH1 ARG 23 -0.777 10.328 -5.882 190 1HH2 ARG 23 1HH2 ARG 23 -1.761 7.074 -6.814 191 2HH2 ARG 23 2HH2 ARG 23 -0.813 6.287 -5.597 192 HA PRO 24 HA PRO 24 -2.319 9.405 2.817 193 1HB PRO 24 1HB PRO 24 -0.829 7.607 4.350 194 2HB PRO 24 2HB PRO 24 -1.945 7.120 3.090 195 1HG PRO 24 1HG PRO 24 1.010 7.104 3.055 196 2HG PRO 24 2HG PRO 24 -0.104 6.247 2.009 197 1HD PRO 24 1HD PRO 24 1.384 8.611 1.359 198 2HD PRO 24 2HD PRO 24 0.183 7.820 0.358 199 H VAL 25 H VAL 25 -0.065 11.422 2.467 200 HA VAL 25 HA VAL 25 0.478 11.827 5.323 201 HB VAL 25 HB VAL 25 2.265 13.332 4.527 202 1HG1 VAL 25 1HG1 VAL 25 3.789 11.557 3.724 203 2HG1 VAL 25 2HG1 VAL 25 2.795 11.022 5.100 204 3HG1 VAL 25 3HG1 VAL 25 2.387 10.495 3.449 205 1HG2 VAL 25 1HG2 VAL 25 1.348 12.385 1.799 206 2HG2 VAL 25 2HG2 VAL 25 1.487 14.056 2.397 207 3HG2 VAL 25 3HG2 VAL 25 2.954 13.093 2.096 208 H CYS 26 H CYS 26 -1.296 12.923 2.521 209 HA CYS 26 HA CYS 26 -1.553 15.608 3.096 210 1HB CYS 26 1HB CYS 26 -3.383 13.644 1.704 211 2HB CYS 26 2HB CYS 26 -3.810 15.334 1.879 212 HG CYS 26 HG CYS 26 -0.890 14.255 0.760 Start of MODEL 11 1 1H GLY 1 HN1 GLY 1 6.907 11.045 2.490 2 2H GLY 1 HN2 GLY 1 5.459 10.432 3.007 3 3H GLY 1 HN3 GLY 1 5.783 10.535 1.387 4 1HA GLY 1 1HA GLY 1 6.082 8.324 1.844 5 2HA GLY 1 2HA GLY 1 7.691 9.016 1.767 6 H ASN 2 H ASN 2 6.313 10.361 4.508 7 HA ASN 2 HA ASN 2 7.841 8.626 6.163 8 1HB ASN 2 1HB ASN 2 7.158 10.207 7.982 9 2HB ASN 2 2HB ASN 2 7.793 11.068 6.593 10 1HD2 ASN 2 1HD2 ASN 2 5.340 10.985 8.813 11 2HD2 ASN 2 2HD2 ASN 2 3.946 11.449 7.894 12 H ASP 3 H ASP 3 4.548 8.935 5.039 13 HA ASP 3 HA ASP 3 3.625 7.267 7.242 14 1HB ASP 3 1HB ASP 3 2.379 9.401 5.572 15 2HB ASP 3 2HB ASP 3 1.350 8.010 5.853 16 H TYR 4 H TYR 4 2.446 5.298 6.679 17 HA TYR 4 HA TYR 4 1.744 4.631 4.046 18 1HB TYR 4 1HB TYR 4 3.624 2.762 3.991 19 2HB TYR 4 2HB TYR 4 4.100 4.393 3.564 20 HD1 TYR 4 1HD TYR 4 5.748 5.559 4.818 21 HD2 TYR 4 2HD TYR 4 4.090 1.925 6.351 22 HE1 TYR 4 1HE TYR 4 7.521 5.510 6.639 23 HE2 TYR 4 2HE TYR 4 5.869 1.889 8.167 24 HH TYR 4 HH TYR 4 7.590 2.866 9.017 25 H GLU 5 H GLU 5 2.209 1.785 4.221 26 HA GLU 5 HA GLU 5 1.436 0.850 6.744 27 1HB GLU 5 1HB GLU 5 -0.711 1.704 4.923 28 2HB GLU 5 2HB GLU 5 -0.865 0.015 5.366 29 1HG GLU 5 1HG GLU 5 -0.365 2.179 7.452 30 2HG GLU 5 2HG GLU 5 -1.984 1.762 6.927 31 H ASP 6 H ASP 6 2.956 -0.788 6.507 32 HA ASP 6 HA ASP 6 2.938 -2.280 4.051 33 1HB ASP 6 1HB ASP 6 4.642 -2.506 6.576 34 2HB ASP 6 2HB ASP 6 4.884 -3.485 5.143 35 H ARG 7 H ARG 7 1.244 -3.797 3.995 36 HA ARG 7 HA ARG 7 1.318 -5.869 5.907 37 1HB ARG 7 1HB ARG 7 -0.520 -3.680 6.369 38 2HB ARG 7 2HB ARG 7 -1.464 -5.089 5.928 39 1HG ARG 7 1HG ARG 7 -0.542 -6.405 7.726 40 2HG ARG 7 2HG ARG 7 0.749 -5.255 8.011 41 1HD ARG 7 1HD ARG 7 -2.167 -4.442 8.329 42 2HD ARG 7 2HD ARG 7 -1.304 -5.231 9.634 43 HE ARG 7 HE ARG 7 -0.922 -2.489 8.703 44 1HH1 ARG 7 1HH1 ARG 7 0.743 -1.212 9.632 45 2HH1 ARG 7 2HH1 ARG 7 1.730 -1.888 10.884 46 1HH2 ARG 7 1HH2 ARG 7 0.425 -5.132 10.598 47 2HH2 ARG 7 2HH2 ARG 7 1.812 -4.226 11.104 48 H TYR 8 H TYR 8 -1.186 -4.314 3.754 49 HA TYR 8 HA TYR 8 -2.492 -6.284 2.687 50 1HB TYR 8 1HB TYR 8 -1.486 -3.709 1.879 51 2HB TYR 8 2HB TYR 8 -1.185 -4.762 0.511 52 HD1 TYR 8 1HD TYR 8 -3.517 -2.590 1.952 53 HD2 TYR 8 2HD TYR 8 -3.291 -6.319 -0.134 54 HE1 TYR 8 1HE TYR 8 -5.936 -2.332 1.211 55 HE2 TYR 8 2HE TYR 8 -5.710 -6.047 -0.868 56 HH TYR 8 HH TYR 8 -7.682 -3.411 0.366 57 H TYR 9 H TYR 9 -1.902 -8.372 2.306 58 HA TYR 9 HA TYR 9 0.561 -9.341 1.769 59 1HB TYR 9 1HB TYR 9 -1.109 -10.983 0.289 60 2HB TYR 9 2HB TYR 9 -1.053 -11.027 2.040 61 HD1 TYR 9 1HD TYR 9 -3.086 -10.349 -0.853 62 HD2 TYR 9 2HD TYR 9 -2.743 -9.620 3.349 63 HE1 TYR 9 1HE TYR 9 -5.550 -9.730 -0.752 64 HE2 TYR 9 2HE TYR 9 -5.208 -9.004 3.435 65 HH TYR 9 HH TYR 9 -6.934 -8.303 2.082 66 H ARG 10 H ARG 10 1.995 -8.534 0.289 67 HA ARG 10 HA ARG 10 1.026 -7.623 -2.222 68 1HB ARG 10 1HB ARG 10 3.833 -7.922 -1.050 69 2HB ARG 10 2HB ARG 10 3.546 -7.284 -2.657 70 1HG ARG 10 1HG ARG 10 3.371 -5.253 -1.635 71 2HG ARG 10 2HG ARG 10 1.769 -5.778 -1.156 72 1HD ARG 10 1HD ARG 10 2.409 -6.216 1.040 73 2HD ARG 10 2HD ARG 10 4.036 -6.689 0.591 74 HE ARG 10 HE ARG 10 4.728 -4.457 0.796 75 1HH1 ARG 10 1HH1 ARG 10 4.458 -2.238 1.301 76 2HH1 ARG 10 2HH1 ARG 10 2.879 -1.532 1.219 77 1HH2 ARG 10 1HH2 ARG 10 1.014 -2.935 1.191 78 2HH2 ARG 10 2HH2 ARG 10 1.212 -4.603 0.766 79 H GLU 11 H GLU 11 0.342 -9.249 -3.624 80 HA GLU 11 HA GLU 11 2.152 -11.518 -3.903 81 1HB GLU 11 1HB GLU 11 -0.474 -11.863 -5.155 82 2HB GLU 11 2HB GLU 11 0.343 -12.884 -3.989 83 1HG GLU 11 1HG GLU 11 -0.862 -10.264 -3.064 84 2HG GLU 11 2HG GLU 11 -1.915 -11.638 -3.336 85 H ASN 12 H ASN 12 -0.253 -9.611 -5.870 86 HA ASN 12 HA ASN 12 1.472 -8.633 -7.682 87 1HB ASN 12 1HB ASN 12 2.234 -10.687 -8.566 88 2HB ASN 12 2HB ASN 12 0.706 -11.497 -8.281 89 1HD2 ASN 12 1HD2 ASN 12 -0.221 -11.224 -11.587 90 2HD2 ASN 12 2HD2 ASN 12 0.149 -12.221 -10.220 91 H MET 13 H MET 13 -1.348 -10.838 -8.360 92 HA MET 13 HA MET 13 -2.713 -8.947 -9.841 93 1HB MET 13 1HB MET 13 -3.937 -11.271 -8.262 94 2HB MET 13 2HB MET 13 -4.561 -10.574 -9.743 95 1HG MET 13 1HG MET 13 -2.475 -11.326 -10.948 96 2HG MET 13 2HG MET 13 -1.910 -12.073 -9.467 97 1HE MET 13 1HE MET 13 -4.057 -12.385 -12.589 98 2HE MET 13 2HE MET 13 -5.413 -13.431 -12.104 99 3HE MET 13 3HE MET 13 -5.294 -11.774 -11.464 100 H TYR 14 H TYR 14 -5.390 -8.958 -8.897 101 HA TYR 14 HA TYR 14 -5.354 -6.761 -7.179 102 1HB TYR 14 1HB TYR 14 -7.148 -7.568 -8.837 103 2HB TYR 14 2HB TYR 14 -7.500 -8.899 -7.754 104 HD1 TYR 14 1HD TYR 14 -9.791 -7.478 -8.388 105 HD2 TYR 14 2HD TYR 14 -6.778 -6.339 -5.571 106 HE1 TYR 14 1HE TYR 14 -11.479 -6.030 -7.157 107 HE2 TYR 14 2HE TYR 14 -8.477 -4.896 -4.349 108 HH TYR 14 HH TYR 14 -11.750 -4.492 -5.627 109 H ARG 15 H ARG 15 -3.929 -7.484 -5.399 110 HA ARG 15 HA ARG 15 -5.528 -8.925 -3.452 111 1HB ARG 15 1HB ARG 15 -2.705 -9.504 -4.358 112 2HB ARG 15 2HB ARG 15 -3.075 -9.739 -2.661 113 1HG ARG 15 1HG ARG 15 -4.940 -10.899 -4.745 114 2HG ARG 15 2HG ARG 15 -3.429 -11.719 -4.406 115 1HD ARG 15 1HD ARG 15 -4.009 -11.950 -2.032 116 2HD ARG 15 2HD ARG 15 -5.428 -10.940 -2.230 117 HE ARG 15 HE ARG 15 -6.541 -12.721 -3.378 118 1HH1 ARG 15 1HH1 ARG 15 -3.476 -13.670 -1.984 119 2HH1 ARG 15 2HH1 ARG 15 -3.620 -15.330 -2.457 120 1HH2 ARG 15 1HH2 ARG 15 -6.611 -14.865 -4.258 121 2HH2 ARG 15 2HH2 ARG 15 -5.430 -16.020 -3.736 122 H TYR 16 H TYR 16 -3.765 -6.177 -4.386 123 HA TYR 16 HA TYR 16 -4.084 -4.905 -1.911 124 1HB TYR 16 1HB TYR 16 -1.923 -5.127 -0.988 125 2HB TYR 16 2HB TYR 16 -1.950 -6.637 -1.878 126 HD1 TYR 16 1HD TYR 16 -0.259 -3.525 -1.420 127 HD2 TYR 16 2HD TYR 16 -0.992 -6.610 -4.293 128 HE1 TYR 16 1HE TYR 16 1.787 -2.793 -2.740 129 HE2 TYR 16 2HE TYR 16 1.057 -5.868 -5.602 130 HH TYR 16 HH TYR 16 2.954 -3.059 -4.540 131 HA PRO 17 HA PRO 17 -3.527 -1.616 -4.737 132 1HB PRO 17 1HB PRO 17 -3.341 0.487 -2.908 133 2HB PRO 17 2HB PRO 17 -4.857 -0.236 -3.407 134 1HG PRO 17 1HG PRO 17 -3.427 -0.518 -0.835 135 2HG PRO 17 2HG PRO 17 -5.104 -0.868 -1.203 136 1HD PRO 17 1HD PRO 17 -2.983 -2.773 -0.886 137 2HD PRO 17 2HD PRO 17 -4.633 -3.113 -1.367 138 H ASN 18 H ASN 18 -1.609 -0.242 -2.053 139 HA ASN 18 HA ASN 18 0.838 -1.050 -3.119 140 1HB ASN 18 1HB ASN 18 1.193 1.718 -3.539 141 2HB ASN 18 2HB ASN 18 1.111 0.492 -4.788 142 1HD2 ASN 18 1HD2 ASN 18 -1.729 1.802 -6.216 143 2HD2 ASN 18 2HD2 ASN 18 -0.366 0.735 -6.284 144 H GLN 19 H GLN 19 -0.484 2.118 -1.870 145 HA GLN 19 HA GLN 19 -0.172 3.226 -0.030 146 1HB GLN 19 1HB GLN 19 0.733 0.784 1.500 147 2HB GLN 19 2HB GLN 19 -0.279 2.109 2.040 148 1HG GLN 19 1HG GLN 19 -1.844 1.143 0.014 149 2HG GLN 19 2HG GLN 19 -1.022 -0.335 0.474 150 1HE2 GLN 19 1HE2 GLN 19 -2.168 -0.089 3.970 151 2HE2 GLN 19 2HE2 GLN 19 -0.699 -0.289 3.074 152 H VAL 20 H VAL 20 1.938 3.332 -1.815 153 HA VAL 20 HA VAL 20 4.178 3.650 0.025 154 HB VAL 20 HB VAL 20 5.694 2.708 -1.715 155 1HG1 VAL 20 1HG1 VAL 20 3.732 0.592 -0.824 156 2HG1 VAL 20 2HG1 VAL 20 5.506 0.499 -0.945 157 3HG1 VAL 20 3HG1 VAL 20 4.751 1.468 0.343 158 1HG2 VAL 20 1HG2 VAL 20 4.165 0.923 -3.132 159 2HG2 VAL 20 2HG2 VAL 20 3.127 2.369 -3.121 160 3HG2 VAL 20 3HG2 VAL 20 4.785 2.469 -3.761 161 H TYR 21 H TYR 21 3.653 5.908 -0.044 162 HA TYR 21 HA TYR 21 5.023 7.362 -1.943 163 1HB TYR 21 1HB TYR 21 2.665 8.350 -2.879 164 2HB TYR 21 2HB TYR 21 3.430 6.980 -3.660 165 HD1 TYR 21 1HD TYR 21 1.587 7.005 -0.410 166 HD2 TYR 21 2HD TYR 21 1.595 5.772 -4.507 167 HE1 TYR 21 1HE TYR 21 -0.494 5.602 0.000 168 HE2 TYR 21 2HE TYR 21 -0.486 4.375 -4.084 169 HH TYR 21 HH TYR 21 -1.796 3.524 -2.541 170 H TYR 22 H TYR 22 3.826 9.798 -2.013 171 HA TYR 22 HA TYR 22 3.525 10.384 0.840 172 1HB TYR 22 1HB TYR 22 3.841 12.781 -0.410 173 2HB TYR 22 2HB TYR 22 5.227 11.764 -0.071 174 HD1 TYR 22 1HD TYR 22 2.610 12.097 -2.753 175 HD2 TYR 22 2HD TYR 22 6.734 11.469 -1.803 176 HE1 TYR 22 1HE TYR 22 3.179 12.037 -5.230 177 HE2 TYR 22 2HE TYR 22 7.289 11.411 -4.283 178 HH TYR 22 HH TYR 22 6.325 11.073 -6.333 179 H ARG 23 H ARG 23 1.234 9.227 -0.173 180 HA ARG 23 HA ARG 23 -0.442 11.521 -0.785 181 1HB ARG 23 1HB ARG 23 -0.516 8.620 -1.523 182 2HB ARG 23 2HB ARG 23 -2.077 9.338 -1.178 183 1HG ARG 23 1HG ARG 23 -2.004 9.999 -3.370 184 2HG ARG 23 2HG ARG 23 -0.998 11.299 -2.764 185 1HD ARG 23 1HD ARG 23 0.299 10.403 -4.534 186 2HD ARG 23 2HD ARG 23 1.012 9.664 -3.114 187 HE ARG 23 HE ARG 23 0.081 7.569 -3.728 188 1HH1 ARG 23 1HH1 ARG 23 -1.749 9.051 -7.003 189 2HH1 ARG 23 2HH1 ARG 23 -1.429 10.090 -5.655 190 1HH2 ARG 23 1HH2 ARG 23 -1.479 6.748 -6.741 191 2HH2 ARG 23 2HH2 ARG 23 -0.540 6.145 -5.416 192 HA PRO 24 HA PRO 24 -2.350 9.102 2.910 193 1HB PRO 24 1HB PRO 24 -0.577 7.466 4.319 194 2HB PRO 24 2HB PRO 24 -1.678 6.876 3.089 195 1HG PRO 24 1HG PRO 24 1.252 7.240 2.934 196 2HG PRO 24 2HG PRO 24 0.209 6.277 1.905 197 1HD PRO 24 1HD PRO 24 1.355 8.831 1.277 198 2HD PRO 24 2HD PRO 24 0.221 7.922 0.298 199 H VAL 25 H VAL 25 0.006 11.215 2.535 200 HA VAL 25 HA VAL 25 0.636 11.627 5.329 201 HB VAL 25 HB VAL 25 1.948 13.521 4.448 202 1HG1 VAL 25 1HG1 VAL 25 3.597 12.151 3.171 203 2HG1 VAL 25 2HG1 VAL 25 3.032 11.371 4.668 204 3HG1 VAL 25 3HG1 VAL 25 2.394 10.841 3.093 205 1HG2 VAL 25 1HG2 VAL 25 0.945 12.587 1.737 206 2HG2 VAL 25 2HG2 VAL 25 0.546 14.126 2.536 207 3HG2 VAL 25 3HG2 VAL 25 2.217 13.802 2.014 208 H CYS 26 H CYS 26 -1.850 12.424 3.067 209 HA CYS 26 HA CYS 26 -2.507 14.989 3.825 210 1HB CYS 26 1HB CYS 26 -4.415 12.771 3.012 211 2HB CYS 26 2HB CYS 26 -4.750 14.491 2.970 212 HG CYS 26 HG CYS 26 -3.125 12.549 1.012 Start of MODEL 12 1 1H GLY 1 HN1 GLY 1 5.700 10.812 2.644 2 2H GLY 1 HN2 GLY 1 6.828 10.789 1.433 3 3H GLY 1 HN3 GLY 1 7.314 10.796 3.016 4 1HA GLY 1 1HA GLY 1 5.641 8.649 1.987 5 2HA GLY 1 2HA GLY 1 7.373 8.626 1.721 6 H ASN 2 H ASN 2 6.412 10.320 4.607 7 HA ASN 2 HA ASN 2 7.710 8.364 6.181 8 1HB ASN 2 1HB ASN 2 7.155 9.922 8.074 9 2HB ASN 2 2HB ASN 2 7.895 10.769 6.730 10 1HD2 ASN 2 1HD2 ASN 2 5.212 10.512 8.784 11 2HD2 ASN 2 2HD2 ASN 2 4.056 11.495 7.948 12 H ASP 3 H ASP 3 4.516 8.848 4.975 13 HA ASP 3 HA ASP 3 3.406 7.285 7.171 14 1HB ASP 3 1HB ASP 3 2.152 9.245 5.207 15 2HB ASP 3 2HB ASP 3 1.166 8.116 6.115 16 H TYR 4 H TYR 4 2.337 5.306 6.612 17 HA TYR 4 HA TYR 4 1.520 4.685 3.993 18 1HB TYR 4 1HB TYR 4 3.396 2.790 3.895 19 2HB TYR 4 2HB TYR 4 3.834 4.413 3.400 20 HD1 TYR 4 1HD TYR 4 5.668 5.481 4.390 21 HD2 TYR 4 2HD TYR 4 3.847 2.172 6.400 22 HE1 TYR 4 1HE TYR 4 7.528 5.500 6.123 23 HE2 TYR 4 2HE TYR 4 5.712 2.203 8.126 24 HH TYR 4 HH TYR 4 7.467 3.236 8.858 25 H GLU 5 H GLU 5 1.915 1.849 4.085 26 HA GLU 5 HA GLU 5 1.196 0.912 6.647 27 1HB GLU 5 1HB GLU 5 -0.944 1.699 4.780 28 2HB GLU 5 2HB GLU 5 -1.077 0.022 5.273 29 1HG GLU 5 1HG GLU 5 -0.605 2.227 7.316 30 2HG GLU 5 2HG GLU 5 -2.222 1.837 6.764 31 H ASP 6 H ASP 6 2.902 -0.574 6.301 32 HA ASP 6 HA ASP 6 2.882 -2.125 3.909 33 1HB ASP 6 1HB ASP 6 4.580 -2.098 6.433 34 2HB ASP 6 2HB ASP 6 4.785 -3.351 5.225 35 H ARG 7 H ARG 7 1.139 -3.607 3.871 36 HA ARG 7 HA ARG 7 1.262 -5.705 5.774 37 1HB ARG 7 1HB ARG 7 -0.656 -3.549 6.159 38 2HB ARG 7 2HB ARG 7 -1.529 -5.020 5.777 39 1HG ARG 7 1HG ARG 7 -0.584 -6.206 7.636 40 2HG ARG 7 2HG ARG 7 0.695 -5.028 7.850 41 1HD ARG 7 1HD ARG 7 -2.238 -4.270 8.185 42 2HD ARG 7 2HD ARG 7 -1.306 -4.937 9.511 43 HE ARG 7 HE ARG 7 -1.122 -2.242 8.477 44 1HH1 ARG 7 1HH1 ARG 7 0.511 -0.827 9.227 45 2HH1 ARG 7 2HH1 ARG 7 1.833 -1.449 10.158 46 1HH2 ARG 7 1HH2 ARG 7 0.685 -4.776 10.116 47 2HH2 ARG 7 2HH2 ARG 7 1.999 -3.735 10.552 48 H TYR 8 H TYR 8 -1.266 -4.221 3.600 49 HA TYR 8 HA TYR 8 -2.493 -6.238 2.519 50 1HB TYR 8 1HB TYR 8 -1.583 -3.618 1.730 51 2HB TYR 8 2HB TYR 8 -1.252 -4.651 0.354 52 HD1 TYR 8 1HD TYR 8 -3.644 -2.557 1.794 53 HD2 TYR 8 2HD TYR 8 -3.314 -6.294 -0.264 54 HE1 TYR 8 1HE TYR 8 -6.074 -2.380 1.067 55 HE2 TYR 8 2HE TYR 8 -5.745 -6.104 -0.984 56 HH TYR 8 HH TYR 8 -7.772 -3.462 0.193 57 H TYR 9 H TYR 9 -1.758 -8.302 2.208 58 HA TYR 9 HA TYR 9 0.724 -9.157 1.644 59 1HB TYR 9 1HB TYR 9 -0.912 -10.832 0.119 60 2HB TYR 9 2HB TYR 9 -0.772 -10.944 1.862 61 HD1 TYR 9 1HD TYR 9 -2.967 -10.250 -0.903 62 HD2 TYR 9 2HD TYR 9 -2.456 -9.662 3.304 63 HE1 TYR 9 1HE TYR 9 -5.448 -9.748 -0.664 64 HE2 TYR 9 2HE TYR 9 -4.939 -9.162 3.529 65 HH TYR 9 HH TYR 9 -6.896 -9.286 2.516 66 H ARG 10 H ARG 10 2.153 -8.394 0.152 67 HA ARG 10 HA ARG 10 1.174 -7.429 -2.333 68 1HB ARG 10 1HB ARG 10 4.003 -7.800 -1.232 69 2HB ARG 10 2HB ARG 10 3.668 -7.066 -2.788 70 1HG ARG 10 1HG ARG 10 3.675 -5.130 -1.536 71 2HG ARG 10 2HG ARG 10 1.994 -5.559 -1.287 72 1HD ARG 10 1HD ARG 10 2.373 -6.361 0.901 73 2HD ARG 10 2HD ARG 10 4.066 -6.699 0.600 74 HE ARG 10 HE ARG 10 4.540 -4.544 1.339 75 1HH1 ARG 10 1HH1 ARG 10 4.174 -2.311 1.731 76 2HH1 ARG 10 2HH1 ARG 10 2.561 -1.692 1.612 77 1HH2 ARG 10 1HH2 ARG 10 1.052 -2.870 0.220 78 2HH2 ARG 10 2HH2 ARG 10 1.204 -4.595 0.192 79 H GLU 11 H GLU 11 0.436 -9.050 -3.724 80 HA GLU 11 HA GLU 11 2.219 -11.329 -4.062 81 1HB GLU 11 1HB GLU 11 -0.417 -11.594 -5.319 82 2HB GLU 11 2HB GLU 11 0.386 -12.661 -4.184 83 1HG GLU 11 1HG GLU 11 -0.767 -10.042 -3.188 84 2HG GLU 11 2HG GLU 11 -1.844 -11.392 -3.485 85 H ASN 12 H ASN 12 -0.133 -9.320 -5.990 86 HA ASN 12 HA ASN 12 1.541 -8.291 -7.770 87 1HB ASN 12 1HB ASN 12 2.463 -10.271 -8.660 88 2HB ASN 12 2HB ASN 12 0.993 -11.193 -8.411 89 1HD2 ASN 12 1HD2 ASN 12 0.270 -11.006 -11.786 90 2HD2 ASN 12 2HD2 ASN 12 0.366 -11.904 -10.308 91 H MET 13 H MET 13 -1.162 -10.661 -8.408 92 HA MET 13 HA MET 13 -2.589 -8.888 -9.990 93 1HB MET 13 1HB MET 13 -3.462 -11.353 -8.383 94 2HB MET 13 2HB MET 13 -4.469 -10.589 -9.597 95 1HG MET 13 1HG MET 13 -2.507 -10.939 -11.251 96 2HG MET 13 2HG MET 13 -1.778 -11.960 -10.027 97 1HE MET 13 1HE MET 13 -3.287 -13.785 -8.742 98 2HE MET 13 2HE MET 13 -3.901 -15.055 -9.828 99 3HE MET 13 3HE MET 13 -2.219 -14.491 -9.979 100 H TYR 14 H TYR 14 -5.278 -9.017 -9.069 101 HA TYR 14 HA TYR 14 -5.350 -6.773 -7.392 102 1HB TYR 14 1HB TYR 14 -7.089 -7.535 -9.070 103 2HB TYR 14 2HB TYR 14 -7.374 -8.981 -8.122 104 HD1 TYR 14 1HD TYR 14 -9.752 -7.707 -8.664 105 HD2 TYR 14 2HD TYR 14 -6.870 -6.546 -5.724 106 HE1 TYR 14 1HE TYR 14 -11.564 -6.494 -7.357 107 HE2 TYR 14 2HE TYR 14 -8.691 -5.337 -4.426 108 HH TYR 14 HH TYR 14 -12.065 -5.465 -5.511 109 H ARG 15 H ARG 15 -3.952 -7.472 -5.570 110 HA ARG 15 HA ARG 15 -5.585 -8.922 -3.659 111 1HB ARG 15 1HB ARG 15 -2.759 -9.494 -4.522 112 2HB ARG 15 2HB ARG 15 -3.098 -9.651 -2.810 113 1HG ARG 15 1HG ARG 15 -5.123 -10.902 -4.616 114 2HG ARG 15 2HG ARG 15 -3.535 -11.640 -4.664 115 1HD ARG 15 1HD ARG 15 -3.596 -11.777 -2.117 116 2HD ARG 15 2HD ARG 15 -5.250 -11.201 -2.173 117 HE ARG 15 HE ARG 15 -5.754 -13.243 -3.606 118 1HH1 ARG 15 1HH1 ARG 15 -2.845 -13.239 -1.625 119 2HH1 ARG 15 2HH1 ARG 15 -2.940 -14.929 -1.258 120 1HH2 ARG 15 1HH2 ARG 15 -5.810 -15.504 -3.204 121 2HH2 ARG 15 2HH2 ARG 15 -4.429 -16.261 -2.482 122 H TYR 16 H TYR 16 -3.887 -6.137 -4.558 123 HA TYR 16 HA TYR 16 -4.266 -4.887 -2.075 124 1HB TYR 16 1HB TYR 16 -2.090 -5.015 -1.164 125 2HB TYR 16 2HB TYR 16 -2.070 -6.531 -2.042 126 HD1 TYR 16 1HD TYR 16 -0.471 -3.373 -1.605 127 HD2 TYR 16 2HD TYR 16 -1.141 -6.475 -4.475 128 HE1 TYR 16 1HE TYR 16 1.541 -2.581 -2.942 129 HE2 TYR 16 2HE TYR 16 0.874 -5.672 -5.802 130 HH TYR 16 HH TYR 16 2.358 -2.673 -5.186 131 HA PRO 17 HA PRO 17 -3.854 -1.571 -4.895 132 1HB PRO 17 1HB PRO 17 -3.783 0.533 -3.059 133 2HB PRO 17 2HB PRO 17 -5.258 -0.260 -3.572 134 1HG PRO 17 1HG PRO 17 -3.837 -0.482 -0.990 135 2HG PRO 17 2HG PRO 17 -5.492 -0.911 -1.372 136 1HD PRO 17 1HD PRO 17 -3.285 -2.713 -1.044 137 2HD PRO 17 2HD PRO 17 -4.914 -3.130 -1.539 138 H ASN 18 H ASN 18 -1.955 -0.335 -2.098 139 HA ASN 18 HA ASN 18 0.488 -0.903 -3.344 140 1HB ASN 18 1HB ASN 18 0.643 1.951 -3.277 141 2HB ASN 18 2HB ASN 18 0.744 0.922 -4.692 142 1HD2 ASN 18 1HD2 ASN 18 -2.185 2.066 -6.075 143 2HD2 ASN 18 2HD2 ASN 18 -0.767 1.078 -6.190 144 H GLN 19 H GLN 19 -0.809 2.023 -1.591 145 HA GLN 19 HA GLN 19 -0.485 2.815 0.404 146 1HB GLN 19 1HB GLN 19 0.517 0.164 1.466 147 2HB GLN 19 2HB GLN 19 -0.447 1.377 2.284 148 1HG GLN 19 1HG GLN 19 -2.132 0.763 0.208 149 2HG GLN 19 2HG GLN 19 -1.308 -0.774 0.390 150 1HE2 GLN 19 1HE2 GLN 19 -2.297 -1.179 3.879 151 2HE2 GLN 19 2HE2 GLN 19 -0.797 -0.921 3.051 152 H VAL 20 H VAL 20 1.601 3.094 -1.494 153 HA VAL 20 HA VAL 20 3.829 3.451 0.328 154 HB VAL 20 HB VAL 20 5.378 2.481 -1.410 155 1HG1 VAL 20 1HG1 VAL 20 3.505 0.451 -0.158 156 2HG1 VAL 20 2HG1 VAL 20 5.237 0.263 -0.525 157 3HG1 VAL 20 3HG1 VAL 20 4.715 1.377 0.762 158 1HG2 VAL 20 1HG2 VAL 20 3.944 0.513 -2.628 159 2HG2 VAL 20 2HG2 VAL 20 2.767 1.848 -2.653 160 3HG2 VAL 20 3HG2 VAL 20 4.372 2.064 -3.391 161 H TYR 21 H TYR 21 3.684 5.679 0.201 162 HA TYR 21 HA TYR 21 4.888 7.017 -1.838 163 1HB TYR 21 1HB TYR 21 2.503 8.056 -2.663 164 2HB TYR 21 2HB TYR 21 3.192 6.651 -3.452 165 HD1 TYR 21 1HD TYR 21 1.491 6.857 -0.124 166 HD2 TYR 21 2HD TYR 21 1.331 5.405 -4.145 167 HE1 TYR 21 1HE TYR 21 -0.593 5.514 0.436 168 HE2 TYR 21 2HE TYR 21 -0.753 4.067 -3.572 169 HH TYR 21 HH TYR 21 -2.045 3.355 -1.963 170 H TYR 22 H TYR 22 4.005 9.498 -1.892 171 HA TYR 22 HA TYR 22 3.732 10.174 0.941 172 1HB TYR 22 1HB TYR 22 4.275 12.502 -0.364 173 2HB TYR 22 2HB TYR 22 5.558 11.368 0.009 174 HD1 TYR 22 1HD TYR 22 3.063 12.099 -2.698 175 HD2 TYR 22 2HD TYR 22 6.970 10.667 -1.705 176 HE1 TYR 22 1HE TYR 22 3.634 11.923 -5.169 177 HE2 TYR 22 2HE TYR 22 7.529 10.496 -4.179 178 HH TYR 22 HH TYR 22 6.698 10.516 -6.215 179 H ARG 23 H ARG 23 1.341 9.221 -0.033 180 HA ARG 23 HA ARG 23 -0.107 11.642 -0.729 181 1HB ARG 23 1HB ARG 23 -0.395 8.774 -1.437 182 2HB ARG 23 2HB ARG 23 -1.912 9.516 -0.970 183 1HG ARG 23 1HG ARG 23 -2.052 10.486 -3.011 184 2HG ARG 23 2HG ARG 23 -0.605 11.410 -2.661 185 1HD ARG 23 1HD ARG 23 -0.357 10.064 -4.750 186 2HD ARG 23 2HD ARG 23 0.826 9.604 -3.541 187 HE ARG 23 HE ARG 23 -0.165 7.490 -3.413 188 1HH1 ARG 23 1HH1 ARG 23 -3.514 8.487 -5.424 189 2HH1 ARG 23 2HH1 ARG 23 -2.505 9.740 -4.783 190 1HH2 ARG 23 1HH2 ARG 23 -3.178 6.292 -4.703 191 2HH2 ARG 23 2HH2 ARG 23 -1.672 5.861 -3.963 192 HA PRO 24 HA PRO 24 -2.236 9.575 3.057 193 1HB PRO 24 1HB PRO 24 -0.650 7.796 4.514 194 2HB PRO 24 2HB PRO 24 -1.818 7.295 3.307 195 1HG PRO 24 1HG PRO 24 1.133 7.322 3.132 196 2HG PRO 24 2HG PRO 24 -0.017 6.450 2.139 197 1HD PRO 24 1HD PRO 24 1.404 8.837 1.425 198 2HD PRO 24 2HD PRO 24 0.169 8.030 0.479 199 H VAL 25 H VAL 25 0.564 11.221 2.645 200 HA VAL 25 HA VAL 25 1.097 11.728 5.434 201 HB VAL 25 HB VAL 25 2.760 13.302 4.525 202 1HG1 VAL 25 1HG1 VAL 25 4.228 11.619 3.504 203 2HG1 VAL 25 2HG1 VAL 25 3.349 10.946 4.898 204 3HG1 VAL 25 3HG1 VAL 25 2.830 10.549 3.242 205 1HG2 VAL 25 1HG2 VAL 25 1.490 12.531 1.893 206 2HG2 VAL 25 2HG2 VAL 25 1.817 14.155 2.545 207 3HG2 VAL 25 3HG2 VAL 25 3.163 13.131 1.990 208 H CYS 26 H CYS 26 -1.149 12.759 3.041 209 HA CYS 26 HA CYS 26 -1.355 15.463 3.725 210 1HB CYS 26 1HB CYS 26 -3.058 13.487 2.264 211 2HB CYS 26 2HB CYS 26 -3.825 14.962 2.820 212 HG CYS 26 HG CYS 26 -1.045 14.639 1.044 Start of MODEL 13 1 1H GLY 1 HN1 GLY 1 5.542 10.457 2.482 2 2H GLY 1 HN2 GLY 1 6.838 10.773 1.502 3 3H GLY 1 HN3 GLY 1 7.021 10.790 3.147 4 1HA GLY 1 1HA GLY 1 6.067 8.372 1.872 5 2HA GLY 1 2HA GLY 1 7.769 8.770 1.752 6 H ASN 2 H ASN 2 6.595 10.220 4.580 7 HA ASN 2 HA ASN 2 7.956 8.292 6.155 8 1HB ASN 2 1HB ASN 2 7.260 9.854 8.059 9 2HB ASN 2 2HB ASN 2 8.177 10.631 6.784 10 1HD2 ASN 2 1HD2 ASN 2 5.372 10.662 8.625 11 2HD2 ASN 2 2HD2 ASN 2 4.371 11.729 7.698 12 H ASP 3 H ASP 3 4.703 8.886 5.045 13 HA ASP 3 HA ASP 3 3.635 7.256 7.207 14 1HB ASP 3 1HB ASP 3 2.282 9.131 5.215 15 2HB ASP 3 2HB ASP 3 1.388 8.097 6.311 16 H TYR 4 H TYR 4 2.390 5.348 6.625 17 HA TYR 4 HA TYR 4 1.626 4.730 4.008 18 1HB TYR 4 1HB TYR 4 3.455 2.803 3.891 19 2HB TYR 4 2HB TYR 4 3.950 4.423 3.442 20 HD1 TYR 4 1HD TYR 4 5.778 5.438 4.508 21 HD2 TYR 4 2HD TYR 4 3.874 2.083 6.360 22 HE1 TYR 4 1HE TYR 4 7.612 5.358 6.267 23 HE2 TYR 4 2HE TYR 4 5.715 2.015 8.112 24 HH TYR 4 HH TYR 4 7.362 3.245 9.038 25 H GLU 5 H GLU 5 1.858 1.916 4.044 26 HA GLU 5 HA GLU 5 1.120 0.986 6.622 27 1HB GLU 5 1HB GLU 5 -0.961 1.808 4.706 28 2HB GLU 5 2HB GLU 5 -1.138 0.135 5.197 29 1HG GLU 5 1HG GLU 5 -0.710 2.378 7.216 30 2HG GLU 5 2HG GLU 5 -2.307 1.910 6.669 31 H ASP 6 H ASP 6 2.864 -0.482 6.260 32 HA ASP 6 HA ASP 6 2.811 -2.075 3.898 33 1HB ASP 6 1HB ASP 6 4.584 -1.745 6.299 34 2HB ASP 6 2HB ASP 6 4.654 -3.300 5.495 35 H ARG 7 H ARG 7 1.158 -3.635 3.857 36 HA ARG 7 HA ARG 7 1.265 -5.667 5.812 37 1HB ARG 7 1HB ARG 7 -0.648 -3.518 6.186 38 2HB ARG 7 2HB ARG 7 -1.534 -4.978 5.794 39 1HG ARG 7 1HG ARG 7 -0.649 -6.171 7.663 40 2HG ARG 7 2HG ARG 7 0.684 -5.051 7.866 41 1HD ARG 7 1HD ARG 7 -2.222 -4.200 8.241 42 2HD ARG 7 2HD ARG 7 -1.261 -4.845 9.556 43 HE ARG 7 HE ARG 7 -0.973 -2.205 8.311 44 1HH1 ARG 7 1HH1 ARG 7 0.307 -0.722 9.511 45 2HH1 ARG 7 2HH1 ARG 7 1.534 -1.314 10.580 46 1HH2 ARG 7 1HH2 ARG 7 0.871 -4.713 9.931 47 2HH2 ARG 7 2HH2 ARG 7 1.899 -3.600 10.771 48 H TYR 8 H TYR 8 -1.398 -4.315 3.725 49 HA TYR 8 HA TYR 8 -2.574 -6.326 2.655 50 1HB TYR 8 1HB TYR 8 -1.682 -3.725 1.796 51 2HB TYR 8 2HB TYR 8 -1.342 -4.789 0.446 52 HD1 TYR 8 1HD TYR 8 -3.777 -2.725 1.911 53 HD2 TYR 8 2HD TYR 8 -3.364 -6.416 -0.213 54 HE1 TYR 8 1HE TYR 8 -6.207 -2.584 1.178 55 HE2 TYR 8 2HE TYR 8 -5.795 -6.262 -0.939 56 HH TYR 8 HH TYR 8 -7.823 -3.540 0.118 57 H TYR 9 H TYR 9 -1.949 -8.388 2.229 58 HA TYR 9 HA TYR 9 0.552 -9.293 1.743 59 1HB TYR 9 1HB TYR 9 -1.035 -10.976 0.229 60 2HB TYR 9 2HB TYR 9 -1.037 -11.012 1.981 61 HD1 TYR 9 1HD TYR 9 -3.006 -10.480 -0.964 62 HD2 TYR 9 2HD TYR 9 -2.785 -9.558 3.208 63 HE1 TYR 9 1HE TYR 9 -5.486 -9.921 -0.949 64 HE2 TYR 9 2HE TYR 9 -5.266 -9.002 3.209 65 HH TYR 9 HH TYR 9 -7.209 -9.453 1.990 66 H ARG 10 H ARG 10 1.986 -8.408 0.303 67 HA ARG 10 HA ARG 10 1.051 -7.514 -2.221 68 1HB ARG 10 1HB ARG 10 3.802 -7.719 -0.921 69 2HB ARG 10 2HB ARG 10 3.624 -7.200 -2.586 70 1HG ARG 10 1HG ARG 10 3.345 -5.105 -1.734 71 2HG ARG 10 2HG ARG 10 1.725 -5.626 -1.314 72 1HD ARG 10 1HD ARG 10 2.209 -5.782 0.935 73 2HD ARG 10 2HD ARG 10 3.811 -6.435 0.654 74 HE ARG 10 HE ARG 10 4.693 -4.255 0.660 75 1HH1 ARG 10 1HH1 ARG 10 4.586 -2.007 1.066 76 2HH1 ARG 10 2HH1 ARG 10 3.050 -1.208 1.106 77 1HH2 ARG 10 1HH2 ARG 10 1.124 -2.381 0.547 78 2HH2 ARG 10 2HH2 ARG 10 1.195 -4.096 0.314 79 H GLU 11 H GLU 11 0.474 -9.091 -3.711 80 HA GLU 11 HA GLU 11 2.327 -11.331 -3.961 81 1HB GLU 11 1HB GLU 11 -0.252 -11.764 -5.260 82 2HB GLU 11 2HB GLU 11 0.556 -12.739 -4.049 83 1HG GLU 11 1HG GLU 11 -0.716 -10.145 -3.171 84 2HG GLU 11 2HG GLU 11 -1.767 -11.502 -3.525 85 H ASN 12 H ASN 12 -0.117 -9.491 -5.944 86 HA ASN 12 HA ASN 12 1.591 -8.422 -7.718 87 1HB ASN 12 1HB ASN 12 2.461 -10.420 -8.620 88 2HB ASN 12 2HB ASN 12 0.980 -11.315 -8.346 89 1HD2 ASN 12 1HD2 ASN 12 -0.079 -11.034 -11.599 90 2HD2 ASN 12 2HD2 ASN 12 0.393 -12.041 -10.272 91 H MET 13 H MET 13 -1.117 -10.746 -8.460 92 HA MET 13 HA MET 13 -2.540 -8.907 -9.952 93 1HB MET 13 1HB MET 13 -3.512 -11.385 -8.421 94 2HB MET 13 2HB MET 13 -4.400 -10.608 -9.717 95 1HG MET 13 1HG MET 13 -2.423 -11.044 -11.256 96 2HG MET 13 2HG MET 13 -1.657 -11.937 -9.958 97 1HE MET 13 1HE MET 13 -3.307 -13.880 -8.579 98 2HE MET 13 2HE MET 13 -3.408 -15.219 -9.748 99 3HE MET 13 3HE MET 13 -1.901 -14.286 -9.592 100 H TYR 14 H TYR 14 -5.227 -9.035 -9.056 101 HA TYR 14 HA TYR 14 -5.308 -6.855 -7.316 102 1HB TYR 14 1HB TYR 14 -7.040 -7.678 -9.015 103 2HB TYR 14 2HB TYR 14 -7.351 -9.065 -7.990 104 HD1 TYR 14 1HD TYR 14 -9.703 -7.769 -8.592 105 HD2 TYR 14 2HD TYR 14 -6.783 -6.520 -5.726 106 HE1 TYR 14 1HE TYR 14 -11.482 -6.450 -7.344 107 HE2 TYR 14 2HE TYR 14 -8.572 -5.205 -4.487 108 HH TYR 14 HH TYR 14 -11.901 -5.083 -5.724 109 H ARG 15 H ARG 15 -3.911 -7.530 -5.504 110 HA ARG 15 HA ARG 15 -5.497 -9.054 -3.613 111 1HB ARG 15 1HB ARG 15 -2.619 -9.514 -4.433 112 2HB ARG 15 2HB ARG 15 -3.066 -9.828 -2.767 113 1HG ARG 15 1HG ARG 15 -4.971 -10.952 -4.756 114 2HG ARG 15 2HG ARG 15 -3.357 -11.628 -4.859 115 1HD ARG 15 1HD ARG 15 -3.406 -12.210 -2.450 116 2HD ARG 15 2HD ARG 15 -4.969 -11.439 -2.267 117 HE ARG 15 HE ARG 15 -5.671 -13.187 -4.128 118 1HH1 ARG 15 1HH1 ARG 15 -3.357 -13.770 -1.523 119 2HH1 ARG 15 2HH1 ARG 15 -3.973 -15.356 -1.201 120 1HH2 ARG 15 1HH2 ARG 15 -5.890 -15.470 -4.170 121 2HH2 ARG 15 2HH2 ARG 15 -5.220 -16.414 -2.881 122 H TYR 16 H TYR 16 -3.887 -6.217 -4.473 123 HA TYR 16 HA TYR 16 -4.256 -5.015 -1.975 124 1HB TYR 16 1HB TYR 16 -2.090 -5.155 -1.054 125 2HB TYR 16 2HB TYR 16 -2.029 -6.635 -1.991 126 HD1 TYR 16 1HD TYR 16 -0.530 -3.437 -1.438 127 HD2 TYR 16 2HD TYR 16 -1.063 -6.485 -4.393 128 HE1 TYR 16 1HE TYR 16 1.471 -2.547 -2.728 129 HE2 TYR 16 2HE TYR 16 0.941 -5.585 -5.673 130 HH TYR 16 HH TYR 16 2.544 -2.614 -4.654 131 HA PRO 17 HA PRO 17 -3.867 -1.637 -4.721 132 1HB PRO 17 1HB PRO 17 -3.730 0.431 -2.848 133 2HB PRO 17 2HB PRO 17 -5.226 -0.341 -3.337 134 1HG PRO 17 1HG PRO 17 -3.738 -0.622 -0.798 135 2HG PRO 17 2HG PRO 17 -5.407 -1.031 -1.144 136 1HD PRO 17 1HD PRO 17 -3.207 -2.856 -0.907 137 2HD PRO 17 2HD PRO 17 -4.851 -3.251 -1.367 138 H ASN 18 H ASN 18 -1.963 -0.225 -2.052 139 HA ASN 18 HA ASN 18 0.486 -0.890 -3.274 140 1HB ASN 18 1HB ASN 18 0.709 1.926 -3.378 141 2HB ASN 18 2HB ASN 18 0.633 0.846 -4.756 142 1HD2 ASN 18 1HD2 ASN 18 -2.467 1.886 -5.869 143 2HD2 ASN 18 2HD2 ASN 18 -0.955 1.083 -6.137 144 H GLN 19 H GLN 19 -0.749 2.146 -1.677 145 HA GLN 19 HA GLN 19 -0.354 3.069 0.246 146 1HB GLN 19 1HB GLN 19 0.422 0.430 1.509 147 2HB GLN 19 2HB GLN 19 -0.458 1.768 2.221 148 1HG GLN 19 1HG GLN 19 -2.210 1.198 0.253 149 2HG GLN 19 2HG GLN 19 -1.451 -0.378 0.349 150 1HE2 GLN 19 1HE2 GLN 19 -2.487 -1.150 3.652 151 2HE2 GLN 19 2HE2 GLN 19 -0.970 -0.944 2.842 152 H VAL 20 H VAL 20 1.740 3.239 -1.547 153 HA VAL 20 HA VAL 20 3.990 3.380 0.279 154 HB VAL 20 HB VAL 20 5.454 2.377 -1.532 155 1HG1 VAL 20 1HG1 VAL 20 3.478 0.550 -0.123 156 2HG1 VAL 20 2HG1 VAL 20 5.070 0.078 -0.762 157 3HG1 VAL 20 3HG1 VAL 20 4.960 1.235 0.586 158 1HG2 VAL 20 1HG2 VAL 20 3.976 0.533 -2.791 159 2HG2 VAL 20 2HG2 VAL 20 2.749 1.816 -2.659 160 3HG2 VAL 20 3HG2 VAL 20 4.293 2.141 -3.483 161 H TYR 21 H TYR 21 3.398 5.666 0.127 162 HA TYR 21 HA TYR 21 4.916 7.029 -1.769 163 1HB TYR 21 1HB TYR 21 2.619 8.106 -2.736 164 2HB TYR 21 2HB TYR 21 3.304 6.674 -3.479 165 HD1 TYR 21 1HD TYR 21 1.452 6.914 -0.240 166 HD2 TYR 21 2HD TYR 21 1.417 5.528 -4.287 167 HE1 TYR 21 1HE TYR 21 -0.706 5.645 0.206 168 HE2 TYR 21 2HE TYR 21 -0.741 4.265 -3.828 169 HH TYR 21 HH TYR 21 -2.038 3.461 -2.185 170 H TYR 22 H TYR 22 4.084 9.516 -1.810 171 HA TYR 22 HA TYR 22 3.702 10.146 1.010 172 1HB TYR 22 1HB TYR 22 4.255 12.495 -0.131 173 2HB TYR 22 2HB TYR 22 5.544 11.315 0.002 174 HD1 TYR 22 1HD TYR 22 2.773 12.171 -2.393 175 HD2 TYR 22 2HD TYR 22 6.851 10.981 -1.880 176 HE1 TYR 22 1HE TYR 22 3.123 12.260 -4.909 177 HE2 TYR 22 2HE TYR 22 7.187 11.074 -4.398 178 HH TYR 22 HH TYR 22 6.311 11.909 -6.299 179 H ARG 23 H ARG 23 1.346 9.138 0.006 180 HA ARG 23 HA ARG 23 -0.166 11.509 -0.713 181 1HB ARG 23 1HB ARG 23 -0.376 8.622 -1.352 182 2HB ARG 23 2HB ARG 23 -1.912 9.316 -0.872 183 1HG ARG 23 1HG ARG 23 -2.071 10.010 -3.040 184 2HG ARG 23 2HG ARG 23 -0.957 11.279 -2.570 185 1HD ARG 23 1HD ARG 23 0.145 10.354 -4.430 186 2HD ARG 23 2HD ARG 23 0.925 9.507 -3.109 187 HE ARG 23 HE ARG 23 -0.176 7.511 -3.734 188 1HH1 ARG 23 1HH1 ARG 23 -2.392 9.249 -6.623 189 2HH1 ARG 23 2HH1 ARG 23 -1.531 10.241 -5.493 190 1HH2 ARG 23 1HH2 ARG 23 -2.121 6.935 -6.568 191 2HH2 ARG 23 2HH2 ARG 23 -1.392 6.206 -5.176 192 HA PRO 24 HA PRO 24 -2.256 9.510 3.128 193 1HB PRO 24 1HB PRO 24 -0.673 7.740 4.599 194 2HB PRO 24 2HB PRO 24 -1.851 7.230 3.406 195 1HG PRO 24 1HG PRO 24 1.099 7.236 3.214 196 2HG PRO 24 2HG PRO 24 -0.063 6.359 2.238 197 1HD PRO 24 1HD PRO 24 1.370 8.726 1.485 198 2HD PRO 24 2HD PRO 24 0.125 7.915 0.557 199 H VAL 25 H VAL 25 0.361 11.286 2.643 200 HA VAL 25 HA VAL 25 1.094 11.741 5.394 201 HB VAL 25 HB VAL 25 2.575 13.435 4.432 202 1HG1 VAL 25 1HG1 VAL 25 4.082 11.945 3.343 203 2HG1 VAL 25 2HG1 VAL 25 3.166 10.971 4.517 204 3HG1 VAL 25 3HG1 VAL 25 2.756 10.897 2.786 205 1HG2 VAL 25 1HG2 VAL 25 1.288 12.682 1.786 206 2HG2 VAL 25 2HG2 VAL 25 1.180 14.254 2.614 207 3HG2 VAL 25 3HG2 VAL 25 2.742 13.691 1.973 208 H CYS 26 H CYS 26 -1.416 12.685 3.234 209 HA CYS 26 HA CYS 26 -1.831 15.310 3.761 210 1HB CYS 26 1HB CYS 26 -3.892 13.101 3.475 211 2HB CYS 26 2HB CYS 26 -4.271 14.812 3.438 212 HG CYS 26 HG CYS 26 -2.371 12.988 1.450 Start of MODEL 14 1 1H GLY 1 HN1 GLY 1 5.730 10.934 1.864 2 2H GLY 1 HN2 GLY 1 7.371 11.050 2.052 3 3H GLY 1 HN3 GLY 1 6.390 10.967 3.382 4 1HA GLY 1 1HA GLY 1 5.703 8.767 2.025 5 2HA GLY 1 2HA GLY 1 7.428 8.893 1.745 6 H ASN 2 H ASN 2 6.350 10.450 4.668 7 HA ASN 2 HA ASN 2 7.834 8.602 6.201 8 1HB ASN 2 1HB ASN 2 7.163 10.058 8.120 9 2HB ASN 2 2HB ASN 2 7.750 11.018 6.776 10 1HD2 ASN 2 1HD2 ASN 2 5.408 10.793 9.052 11 2HD2 ASN 2 2HD2 ASN 2 4.005 11.424 8.257 12 H ASP 3 H ASP 3 4.440 9.161 5.326 13 HA ASP 3 HA ASP 3 3.587 7.280 7.362 14 1HB ASP 3 1HB ASP 3 2.041 9.142 5.501 15 2HB ASP 3 2HB ASP 3 1.260 8.000 6.576 16 H TYR 4 H TYR 4 2.365 5.355 6.710 17 HA TYR 4 HA TYR 4 1.689 4.827 4.030 18 1HB TYR 4 1HB TYR 4 3.514 2.901 3.954 19 2HB TYR 4 2HB TYR 4 4.046 4.531 3.594 20 HD1 TYR 4 1HD TYR 4 5.791 5.515 4.828 21 HD2 TYR 4 2HD TYR 4 3.804 2.063 6.391 22 HE1 TYR 4 1HE TYR 4 7.517 5.354 6.687 23 HE2 TYR 4 2HE TYR 4 5.536 1.914 8.245 24 HH TYR 4 HH TYR 4 7.167 2.974 9.270 25 H GLU 5 H GLU 5 2.145 1.941 4.153 26 HA GLU 5 HA GLU 5 1.217 0.966 6.607 27 1HB GLU 5 1HB GLU 5 -0.815 1.909 4.719 28 2HB GLU 5 2HB GLU 5 -1.003 0.196 5.038 29 1HG GLU 5 1HG GLU 5 -0.554 2.110 7.347 30 2HG GLU 5 2HG GLU 5 -2.151 1.965 6.640 31 H ASP 6 H ASP 6 2.794 -0.637 6.383 32 HA ASP 6 HA ASP 6 2.817 -2.126 3.919 33 1HB ASP 6 1HB ASP 6 4.534 -2.286 6.441 34 2HB ASP 6 2HB ASP 6 4.784 -3.296 5.031 35 H ARG 7 H ARG 7 1.223 -3.735 3.844 36 HA ARG 7 HA ARG 7 1.318 -5.767 5.788 37 1HB ARG 7 1HB ARG 7 -0.655 -3.633 6.127 38 2HB ARG 7 2HB ARG 7 -1.472 -5.155 5.829 39 1HG ARG 7 1HG ARG 7 -0.478 -6.207 7.729 40 2HG ARG 7 2HG ARG 7 0.796 -5.010 7.843 41 1HD ARG 7 1HD ARG 7 -2.100 -4.164 8.179 42 2HD ARG 7 2HD ARG 7 -1.246 -4.899 9.521 43 HE ARG 7 HE ARG 7 -0.734 -2.243 8.358 44 1HH1 ARG 7 1HH1 ARG 7 0.893 -0.944 9.315 45 2HH1 ARG 7 2HH1 ARG 7 1.896 -1.600 10.565 46 1HH2 ARG 7 1HH2 ARG 7 0.505 -4.808 10.450 47 2HH2 ARG 7 2HH2 ARG 7 1.311 -3.687 11.496 48 H TYR 8 H TYR 8 -1.251 -4.334 3.629 49 HA TYR 8 HA TYR 8 -2.455 -6.370 2.566 50 1HB TYR 8 1HB TYR 8 -1.587 -3.744 1.755 51 2HB TYR 8 2HB TYR 8 -1.247 -4.780 0.383 52 HD1 TYR 8 1HD TYR 8 -3.684 -2.753 1.888 53 HD2 TYR 8 2HD TYR 8 -3.265 -6.416 -0.283 54 HE1 TYR 8 1HE TYR 8 -6.120 -2.616 1.171 55 HE2 TYR 8 2HE TYR 8 -5.702 -6.266 -0.992 56 HH TYR 8 HH TYR 8 -7.681 -3.470 -0.061 57 H TYR 9 H TYR 9 -1.800 -8.417 2.111 58 HA TYR 9 HA TYR 9 0.733 -9.247 1.573 59 1HB TYR 9 1HB TYR 9 -0.869 -10.984 0.122 60 2HB TYR 9 2HB TYR 9 -0.772 -11.026 1.871 61 HD1 TYR 9 1HD TYR 9 -2.884 -10.354 -0.993 62 HD2 TYR 9 2HD TYR 9 -2.531 -9.830 3.238 63 HE1 TYR 9 1HE TYR 9 -5.377 -9.879 -0.837 64 HE2 TYR 9 2HE TYR 9 -5.025 -9.358 3.380 65 HH TYR 9 HH TYR 9 -6.826 -8.836 2.192 66 H ARG 10 H ARG 10 2.101 -8.399 0.060 67 HA ARG 10 HA ARG 10 1.042 -7.527 -2.428 68 1HB ARG 10 1HB ARG 10 3.930 -7.765 -1.439 69 2HB ARG 10 2HB ARG 10 3.454 -6.963 -2.923 70 1HG ARG 10 1HG ARG 10 3.363 -5.089 -1.607 71 2HG ARG 10 2HG ARG 10 1.783 -5.697 -1.159 72 1HD ARG 10 1HD ARG 10 2.482 -6.384 0.946 73 2HD ARG 10 2HD ARG 10 4.087 -6.819 0.394 74 HE ARG 10 HE ARG 10 4.819 -4.605 0.768 75 1HH1 ARG 10 1HH1 ARG 10 4.608 -2.534 1.737 76 2HH1 ARG 10 2HH1 ARG 10 3.032 -1.829 1.878 77 1HH2 ARG 10 1HH2 ARG 10 1.164 -3.227 1.779 78 2HH2 ARG 10 2HH2 ARG 10 1.325 -4.822 1.124 79 H GLU 11 H GLU 11 0.328 -9.274 -3.698 80 HA GLU 11 HA GLU 11 2.228 -11.450 -4.033 81 1HB GLU 11 1HB GLU 11 -0.362 -11.881 -5.309 82 2HB GLU 11 2HB GLU 11 0.444 -12.843 -4.086 83 1HG GLU 11 1HG GLU 11 -0.807 -10.222 -3.252 84 2HG GLU 11 2HG GLU 11 -1.864 -11.585 -3.564 85 H ASN 12 H ASN 12 -0.142 -9.482 -5.977 86 HA ASN 12 HA ASN 12 1.547 -8.511 -7.789 87 1HB ASN 12 1HB ASN 12 2.375 -10.525 -8.689 88 2HB ASN 12 2HB ASN 12 0.884 -11.396 -8.387 89 1HD2 ASN 12 1HD2 ASN 12 0.505 -11.290 -11.851 90 2HD2 ASN 12 2HD2 ASN 12 0.377 -12.159 -10.359 91 H MET 13 H MET 13 -1.206 -10.788 -8.504 92 HA MET 13 HA MET 13 -2.604 -8.944 -10.006 93 1HB MET 13 1HB MET 13 -3.845 -11.241 -8.408 94 2HB MET 13 2HB MET 13 -4.387 -10.616 -9.953 95 1HG MET 13 1HG MET 13 -2.167 -11.371 -10.960 96 2HG MET 13 2HG MET 13 -1.784 -12.128 -9.427 97 1HE MET 13 1HE MET 13 -3.154 -13.789 -8.257 98 2HE MET 13 2HE MET 13 -3.921 -15.141 -9.124 99 3HE MET 13 3HE MET 13 -2.189 -14.803 -9.357 100 H TYR 14 H TYR 14 -5.274 -8.938 -9.120 101 HA TYR 14 HA TYR 14 -5.279 -6.749 -7.394 102 1HB TYR 14 1HB TYR 14 -7.042 -7.492 -9.083 103 2HB TYR 14 2HB TYR 14 -7.390 -8.889 -8.084 104 HD1 TYR 14 1HD TYR 14 -9.681 -7.433 -8.720 105 HD2 TYR 14 2HD TYR 14 -6.784 -6.488 -5.716 106 HE1 TYR 14 1HE TYR 14 -11.426 -6.091 -7.449 107 HE2 TYR 14 2HE TYR 14 -8.539 -5.150 -4.455 108 HH TYR 14 HH TYR 14 -11.830 -4.815 -5.757 109 H ARG 15 H ARG 15 -3.876 -7.524 -5.599 110 HA ARG 15 HA ARG 15 -5.532 -8.962 -3.695 111 1HB ARG 15 1HB ARG 15 -2.692 -9.527 -4.542 112 2HB ARG 15 2HB ARG 15 -3.080 -9.750 -2.848 113 1HG ARG 15 1HG ARG 15 -5.097 -10.910 -4.695 114 2HG ARG 15 2HG ARG 15 -3.507 -11.631 -4.849 115 1HD ARG 15 1HD ARG 15 -3.480 -11.946 -2.318 116 2HD ARG 15 2HD ARG 15 -5.137 -11.380 -2.276 117 HE ARG 15 HE ARG 15 -5.352 -13.360 -4.118 118 1HH1 ARG 15 1HH1 ARG 15 -3.245 -13.498 -1.309 119 2HH1 ARG 15 2HH1 ARG 15 -3.964 -14.943 -0.682 120 1HH2 ARG 15 1HH2 ARG 15 -5.881 -15.530 -3.597 121 2HH2 ARG 15 2HH2 ARG 15 -5.201 -16.267 -2.184 122 H TYR 16 H TYR 16 -3.940 -6.143 -4.549 123 HA TYR 16 HA TYR 16 -4.246 -4.959 -2.035 124 1HB TYR 16 1HB TYR 16 -2.050 -5.080 -1.176 125 2HB TYR 16 2HB TYR 16 -2.027 -6.573 -2.094 126 HD1 TYR 16 1HD TYR 16 -0.450 -3.419 -1.597 127 HD2 TYR 16 2HD TYR 16 -1.171 -6.422 -4.558 128 HE1 TYR 16 1HE TYR 16 1.519 -2.561 -2.957 129 HE2 TYR 16 2HE TYR 16 0.801 -5.554 -5.908 130 HH TYR 16 HH TYR 16 2.596 -2.689 -4.837 131 HA PRO 17 HA PRO 17 -3.932 -1.564 -4.771 132 1HB PRO 17 1HB PRO 17 -3.762 0.494 -2.889 133 2HB PRO 17 2HB PRO 17 -5.265 -0.282 -3.350 134 1HG PRO 17 1HG PRO 17 -3.722 -0.572 -0.845 135 2HG PRO 17 2HG PRO 17 -5.396 -0.985 -1.157 136 1HD PRO 17 1HD PRO 17 -3.184 -2.803 -0.980 137 2HD PRO 17 2HD PRO 17 -4.837 -3.202 -1.406 138 H ASN 18 H ASN 18 -1.990 -0.121 -2.155 139 HA ASN 18 HA ASN 18 0.442 -0.782 -3.425 140 1HB ASN 18 1HB ASN 18 0.681 2.017 -3.542 141 2HB ASN 18 2HB ASN 18 0.507 0.950 -4.922 142 1HD2 ASN 18 1HD2 ASN 18 -2.563 2.178 -5.890 143 2HD2 ASN 18 2HD2 ASN 18 -1.012 1.507 -6.269 144 H GLN 19 H GLN 19 -0.834 2.204 -1.761 145 HA GLN 19 HA GLN 19 -0.389 3.133 0.150 146 1HB GLN 19 1HB GLN 19 0.425 0.467 1.344 147 2HB GLN 19 2HB GLN 19 -0.389 1.807 2.127 148 1HG GLN 19 1HG GLN 19 -2.232 1.300 0.205 149 2HG GLN 19 2HG GLN 19 -1.518 -0.297 0.296 150 1HE2 GLN 19 1HE2 GLN 19 -2.304 -0.740 3.826 151 2HE2 GLN 19 2HE2 GLN 19 -0.860 -0.624 2.876 152 H VAL 20 H VAL 20 1.686 3.229 -1.737 153 HA VAL 20 HA VAL 20 3.968 3.424 0.058 154 HB VAL 20 HB VAL 20 5.401 2.437 -1.776 155 1HG1 VAL 20 1HG1 VAL 20 3.436 0.596 -0.370 156 2HG1 VAL 20 2HG1 VAL 20 5.014 0.121 -1.044 157 3HG1 VAL 20 3HG1 VAL 20 4.935 1.258 0.324 158 1HG2 VAL 20 1HG2 VAL 20 4.156 0.712 -3.199 159 2HG2 VAL 20 2HG2 VAL 20 2.673 1.608 -2.789 160 3HG2 VAL 20 3HG2 VAL 20 3.989 2.420 -3.671 161 H TYR 21 H TYR 21 3.628 5.697 -0.004 162 HA TYR 21 HA TYR 21 4.996 7.067 -1.958 163 1HB TYR 21 1HB TYR 21 2.668 8.183 -2.820 164 2HB TYR 21 2HB TYR 21 3.329 6.772 -3.620 165 HD1 TYR 21 1HD TYR 21 1.619 6.874 -0.303 166 HD2 TYR 21 2HD TYR 21 1.382 5.698 -4.409 167 HE1 TYR 21 1HE TYR 21 -0.522 5.591 0.181 168 HE2 TYR 21 2HE TYR 21 -0.758 4.419 -3.912 169 HH TYR 21 HH TYR 21 -2.003 3.565 -2.276 170 H TYR 22 H TYR 22 4.048 9.569 -1.978 171 HA TYR 22 HA TYR 22 3.832 10.174 0.873 172 1HB TYR 22 1HB TYR 22 4.281 12.544 -0.362 173 2HB TYR 22 2HB TYR 22 5.602 11.418 -0.118 174 HD1 TYR 22 1HD TYR 22 2.966 12.290 -2.637 175 HD2 TYR 22 2HD TYR 22 6.901 10.761 -1.943 176 HE1 TYR 22 1HE TYR 22 3.395 12.239 -5.142 177 HE2 TYR 22 2HE TYR 22 7.317 10.716 -4.451 178 HH TYR 22 HH TYR 22 6.507 11.077 -6.414 179 H ARG 23 H ARG 23 1.440 9.168 -0.078 180 HA ARG 23 HA ARG 23 -0.101 11.560 -0.663 181 1HB ARG 23 1HB ARG 23 -0.248 8.777 -1.550 182 2HB ARG 23 2HB ARG 23 -1.771 9.246 -0.823 183 1HG ARG 23 1HG ARG 23 -2.300 10.292 -2.764 184 2HG ARG 23 2HG ARG 23 -1.053 11.471 -2.409 185 1HD ARG 23 1HD ARG 23 -0.584 10.567 -4.613 186 2HD ARG 23 2HD ARG 23 0.640 9.941 -3.526 187 HE ARG 23 HE ARG 23 -0.261 7.777 -3.760 188 1HH1 ARG 23 1HH1 ARG 23 -3.513 8.960 -5.835 189 2HH1 ARG 23 2HH1 ARG 23 -2.512 10.146 -5.066 190 1HH2 ARG 23 1HH2 ARG 23 -2.924 6.715 -5.750 191 2HH2 ARG 23 2HH2 ARG 23 -1.591 6.211 -4.765 192 HA PRO 24 HA PRO 24 -2.085 9.369 3.127 193 1HB PRO 24 1HB PRO 24 -0.472 7.517 4.458 194 2HB PRO 24 2HB PRO 24 -1.685 7.077 3.273 195 1HG PRO 24 1HG PRO 24 1.259 7.081 2.999 196 2HG PRO 24 2HG PRO 24 0.066 6.261 2.011 197 1HD PRO 24 1HD PRO 24 1.490 8.660 1.345 198 2HD PRO 24 2HD PRO 24 0.215 7.904 0.410 199 H VAL 25 H VAL 25 0.266 11.334 2.668 200 HA VAL 25 HA VAL 25 1.046 11.625 5.471 201 HB VAL 25 HB VAL 25 2.690 13.221 4.589 202 1HG1 VAL 25 1HG1 VAL 25 4.091 11.565 3.347 203 2HG1 VAL 25 2HG1 VAL 25 3.381 10.922 4.847 204 3HG1 VAL 25 3HG1 VAL 25 2.678 10.486 3.271 205 1HG2 VAL 25 1HG2 VAL 25 1.314 12.611 1.976 206 2HG2 VAL 25 2HG2 VAL 25 1.760 14.186 2.676 207 3HG2 VAL 25 3HG2 VAL 25 3.020 13.116 2.015 208 H CYS 26 H CYS 26 -1.238 12.710 3.133 209 HA CYS 26 HA CYS 26 -1.457 15.388 3.943 210 1HB CYS 26 1HB CYS 26 -3.551 13.595 2.668 211 2HB CYS 26 2HB CYS 26 -3.625 15.343 2.774 212 HG CYS 26 HG CYS 26 -2.010 13.348 0.851 Start of MODEL 15 1 1H GLY 1 HN1 GLY 1 4.939 11.450 2.597 2 2H GLY 1 HN2 GLY 1 6.347 11.774 1.787 3 3H GLY 1 HN3 GLY 1 6.356 11.626 3.437 4 1HA GLY 1 1HA GLY 1 5.293 9.358 2.093 5 2HA GLY 1 2HA GLY 1 6.968 9.691 1.701 6 H ASN 2 H ASN 2 5.905 10.892 4.808 7 HA ASN 2 HA ASN 2 7.664 9.035 6.070 8 1HB ASN 2 1HB ASN 2 7.050 10.373 8.151 9 2HB ASN 2 2HB ASN 2 7.709 11.346 6.852 10 1HD2 ASN 2 1HD2 ASN 2 4.892 10.542 8.725 11 2HD2 ASN 2 2HD2 ASN 2 3.715 11.519 7.912 12 H ASP 3 H ASP 3 4.509 8.878 4.998 13 HA ASP 3 HA ASP 3 3.708 7.242 7.276 14 1HB ASP 3 1HB ASP 3 2.122 9.060 5.435 15 2HB ASP 3 2HB ASP 3 1.321 7.720 6.231 16 H TYR 4 H TYR 4 2.520 5.236 6.685 17 HA TYR 4 HA TYR 4 2.039 4.550 3.987 18 1HB TYR 4 1HB TYR 4 3.881 2.652 4.173 19 2HB TYR 4 2HB TYR 4 4.429 4.267 3.770 20 HD1 TYR 4 1HD TYR 4 5.977 5.410 5.154 21 HD2 TYR 4 2HD TYR 4 4.046 1.879 6.606 22 HE1 TYR 4 1HE TYR 4 7.540 5.371 7.159 23 HE2 TYR 4 2HE TYR 4 5.615 1.852 8.606 24 HH TYR 4 HH TYR 4 7.185 2.886 9.672 25 H GLU 5 H GLU 5 2.285 1.743 4.158 26 HA GLU 5 HA GLU 5 1.299 0.829 6.630 27 1HB GLU 5 1HB GLU 5 -0.647 1.761 4.630 28 2HB GLU 5 2HB GLU 5 -0.902 0.080 5.055 29 1HG GLU 5 1HG GLU 5 -0.410 2.064 7.280 30 2HG GLU 5 2HG GLU 5 -1.982 2.055 6.506 31 H ASP 6 H ASP 6 3.024 -0.680 6.326 32 HA ASP 6 HA ASP 6 2.989 -2.265 3.947 33 1HB ASP 6 1HB ASP 6 4.731 -2.044 6.406 34 2HB ASP 6 2HB ASP 6 4.835 -3.509 5.451 35 H ARG 7 H ARG 7 1.286 -3.778 3.920 36 HA ARG 7 HA ARG 7 1.373 -5.825 5.858 37 1HB ARG 7 1HB ARG 7 -0.493 -3.633 6.271 38 2HB ARG 7 2HB ARG 7 -1.407 -5.083 5.905 39 1HG ARG 7 1HG ARG 7 -0.529 -6.270 7.768 40 2HG ARG 7 2HG ARG 7 0.861 -5.213 7.914 41 1HD ARG 7 1HD ARG 7 -1.901 -4.032 8.283 42 2HD ARG 7 2HD ARG 7 -1.214 -4.982 9.585 43 HE ARG 7 HE ARG 7 -0.105 -2.430 8.511 44 1HH1 ARG 7 1HH1 ARG 7 1.570 -1.466 9.751 45 2HH1 ARG 7 2HH1 ARG 7 1.959 -2.114 11.310 46 1HH2 ARG 7 1HH2 ARG 7 -0.172 -4.903 11.007 47 2HH2 ARG 7 2HH2 ARG 7 0.938 -4.067 12.042 48 H TYR 8 H TYR 8 -1.178 -4.320 3.727 49 HA TYR 8 HA TYR 8 -2.444 -6.348 2.691 50 1HB TYR 8 1HB TYR 8 -1.609 -3.717 1.899 51 2HB TYR 8 2HB TYR 8 -1.252 -4.726 0.511 52 HD1 TYR 8 1HD TYR 8 -3.711 -2.741 2.018 53 HD2 TYR 8 2HD TYR 8 -3.256 -6.396 -0.158 54 HE1 TYR 8 1HE TYR 8 -6.147 -2.625 1.301 55 HE2 TYR 8 2HE TYR 8 -5.694 -6.267 -0.869 56 HH TYR 8 HH TYR 8 -7.728 -3.536 0.155 57 H TYR 9 H TYR 9 -1.800 -8.398 2.223 58 HA TYR 9 HA TYR 9 0.688 -9.267 1.632 59 1HB TYR 9 1HB TYR 9 -0.923 -10.936 0.136 60 2HB TYR 9 2HB TYR 9 -0.883 -11.001 1.886 61 HD1 TYR 9 1HD TYR 9 -2.937 -10.487 -0.990 62 HD2 TYR 9 2HD TYR 9 -2.604 -9.536 3.168 63 HE1 TYR 9 1HE TYR 9 -5.421 -9.952 -0.905 64 HE2 TYR 9 2HE TYR 9 -5.089 -9.005 3.239 65 HH TYR 9 HH TYR 9 -6.825 -8.321 1.710 66 H ARG 10 H ARG 10 2.122 -8.610 0.107 67 HA ARG 10 HA ARG 10 1.100 -7.545 -2.338 68 1HB ARG 10 1HB ARG 10 3.935 -7.915 -1.254 69 2HB ARG 10 2HB ARG 10 3.602 -7.194 -2.816 70 1HG ARG 10 1HG ARG 10 3.562 -5.235 -1.620 71 2HG ARG 10 2HG ARG 10 1.909 -5.704 -1.276 72 1HD ARG 10 1HD ARG 10 2.434 -6.481 0.899 73 2HD ARG 10 2HD ARG 10 4.125 -6.733 0.515 74 HE ARG 10 HE ARG 10 4.522 -4.545 1.198 75 1HH1 ARG 10 1HH1 ARG 10 4.068 -2.317 1.537 76 2HH1 ARG 10 2HH1 ARG 10 2.527 -1.681 1.065 77 1HH2 ARG 10 1HH2 ARG 10 0.795 -3.152 0.538 78 2HH2 ARG 10 2HH2 ARG 10 1.092 -4.858 0.525 79 H GLU 11 H GLU 11 0.391 -9.100 -3.801 80 HA GLU 11 HA GLU 11 2.185 -11.367 -4.196 81 1HB GLU 11 1HB GLU 11 -0.471 -11.723 -5.358 82 2HB GLU 11 2HB GLU 11 0.384 -12.739 -4.215 83 1HG GLU 11 1HG GLU 11 -0.853 -10.135 -3.272 84 2HG GLU 11 2HG GLU 11 -1.867 -11.548 -3.489 85 H ASN 12 H ASN 12 -0.314 -9.420 -6.001 86 HA ASN 12 HA ASN 12 1.292 -8.342 -7.843 87 1HB ASN 12 1HB ASN 12 2.133 -10.278 -8.864 88 2HB ASN 12 2HB ASN 12 0.721 -11.234 -8.461 89 1HD2 ASN 12 1HD2 ASN 12 -0.485 -11.050 -11.687 90 2HD2 ASN 12 2HD2 ASN 12 -0.090 -11.969 -10.273 91 H MET 13 H MET 13 -1.443 -10.671 -8.474 92 HA MET 13 HA MET 13 -2.940 -8.831 -9.889 93 1HB MET 13 1HB MET 13 -3.932 -11.259 -8.296 94 2HB MET 13 2HB MET 13 -4.746 -10.534 -9.668 95 1HG MET 13 1HG MET 13 -2.556 -11.039 -11.004 96 2HG MET 13 2HG MET 13 -2.117 -12.072 -9.658 97 1HE MET 13 1HE MET 13 -3.557 -13.885 -8.705 98 2HE MET 13 2HE MET 13 -4.328 -15.049 -9.808 99 3HE MET 13 3HE MET 13 -2.603 -14.653 -9.997 100 H TYR 14 H TYR 14 -5.566 -8.886 -8.908 101 HA TYR 14 HA TYR 14 -5.560 -6.736 -7.145 102 1HB TYR 14 1HB TYR 14 -7.361 -7.599 -8.781 103 2HB TYR 14 2HB TYR 14 -7.665 -8.925 -7.677 104 HD1 TYR 14 1HD TYR 14 -9.923 -7.339 -8.428 105 HD2 TYR 14 2HD TYR 14 -7.021 -6.545 -5.386 106 HE1 TYR 14 1HE TYR 14 -11.615 -5.912 -7.176 107 HE2 TYR 14 2HE TYR 14 -8.722 -5.122 -4.144 108 HH TYR 14 HH TYR 14 -12.016 -4.722 -5.425 109 H ARG 15 H ARG 15 -3.997 -7.579 -5.472 110 HA ARG 15 HA ARG 15 -5.532 -9.048 -3.488 111 1HB ARG 15 1HB ARG 15 -2.704 -9.511 -4.460 112 2HB ARG 15 2HB ARG 15 -3.058 -9.830 -2.773 113 1HG ARG 15 1HG ARG 15 -5.017 -10.941 -4.752 114 2HG ARG 15 2HG ARG 15 -3.423 -11.668 -4.765 115 1HD ARG 15 1HD ARG 15 -3.610 -12.023 -2.262 116 2HD ARG 15 2HD ARG 15 -5.245 -11.394 -2.325 117 HE ARG 15 HE ARG 15 -5.963 -13.355 -3.478 118 1HH1 ARG 15 1HH1 ARG 15 -2.557 -13.464 -2.626 119 2HH1 ARG 15 2HH1 ARG 15 -2.349 -15.107 -3.131 120 1HH2 ARG 15 1HH2 ARG 15 -5.658 -15.486 -4.276 121 2HH2 ARG 15 2HH2 ARG 15 -4.127 -16.269 -4.066 122 H TYR 16 H TYR 16 -3.874 -6.231 -4.407 123 HA TYR 16 HA TYR 16 -4.159 -5.024 -1.896 124 1HB TYR 16 1HB TYR 16 -1.965 -5.199 -1.040 125 2HB TYR 16 2HB TYR 16 -1.979 -6.694 -1.956 126 HD1 TYR 16 1HD TYR 16 -0.356 -3.547 -1.491 127 HD2 TYR 16 2HD TYR 16 -1.095 -6.598 -4.398 128 HE1 TYR 16 1HE TYR 16 1.631 -2.738 -2.855 129 HE2 TYR 16 2HE TYR 16 0.894 -5.779 -5.752 130 HH TYR 16 HH TYR 16 2.844 -3.032 -4.611 131 HA PRO 17 HA PRO 17 -3.781 -1.664 -4.669 132 1HB PRO 17 1HB PRO 17 -3.635 0.407 -2.800 133 2HB PRO 17 2HB PRO 17 -5.133 -0.361 -3.287 134 1HG PRO 17 1HG PRO 17 -3.646 -0.644 -0.748 135 2HG PRO 17 2HG PRO 17 -5.317 -1.046 -1.092 136 1HD PRO 17 1HD PRO 17 -3.124 -2.880 -0.854 137 2HD PRO 17 2HD PRO 17 -4.770 -3.269 -1.312 138 H ASN 18 H ASN 18 -1.840 -0.348 -1.960 139 HA ASN 18 HA ASN 18 0.598 -1.009 -3.153 140 1HB ASN 18 1HB ASN 18 0.848 1.797 -3.373 141 2HB ASN 18 2HB ASN 18 0.776 0.661 -4.706 142 1HD2 ASN 18 1HD2 ASN 18 -2.267 1.747 -5.917 143 2HD2 ASN 18 2HD2 ASN 18 -0.776 0.889 -6.123 144 H GLN 19 H GLN 19 -0.634 2.102 -1.704 145 HA GLN 19 HA GLN 19 -0.294 3.082 0.202 146 1HB GLN 19 1HB GLN 19 0.576 0.537 1.577 147 2HB GLN 19 2HB GLN 19 -0.398 1.851 2.207 148 1HG GLN 19 1HG GLN 19 -2.021 1.048 0.166 149 2HG GLN 19 2HG GLN 19 -1.217 -0.474 0.497 150 1HE2 GLN 19 1HE2 GLN 19 -2.632 -1.058 3.650 151 2HE2 GLN 19 2HE2 GLN 19 -1.174 -1.237 2.732 152 H VAL 20 H VAL 20 1.815 3.147 -1.644 153 HA VAL 20 HA VAL 20 4.062 3.427 0.188 154 HB VAL 20 HB VAL 20 5.545 2.427 -1.586 155 1HG1 VAL 20 1HG1 VAL 20 3.568 0.496 -0.329 156 2HG1 VAL 20 2HG1 VAL 20 5.254 0.165 -0.795 157 3HG1 VAL 20 3HG1 VAL 20 4.904 1.285 0.544 158 1HG2 VAL 20 1HG2 VAL 20 4.104 0.582 -2.894 159 2HG2 VAL 20 2HG2 VAL 20 2.873 1.863 -2.783 160 3HG2 VAL 20 3HG2 VAL 20 4.436 2.196 -3.566 161 H TYR 21 H TYR 21 3.491 5.697 0.039 162 HA TYR 21 HA TYR 21 4.925 7.057 -1.923 163 1HB TYR 21 1HB TYR 21 2.555 8.114 -2.774 164 2HB TYR 21 2HB TYR 21 3.262 6.725 -3.576 165 HD1 TYR 21 1HD TYR 21 1.542 6.801 -0.260 166 HD2 TYR 21 2HD TYR 21 1.370 5.555 -4.349 167 HE1 TYR 21 1HE TYR 21 -0.552 5.446 0.234 168 HE2 TYR 21 2HE TYR 21 -0.723 4.204 -3.842 169 HH TYR 21 HH TYR 21 -1.985 3.379 -2.241 170 H TYR 22 H TYR 22 3.999 9.541 -1.965 171 HA TYR 22 HA TYR 22 3.743 10.183 0.873 172 1HB TYR 22 1HB TYR 22 4.190 12.538 -0.405 173 2HB TYR 22 2HB TYR 22 5.515 11.430 -0.102 174 HD1 TYR 22 1HD TYR 22 2.932 12.223 -2.701 175 HD2 TYR 22 2HD TYR 22 6.857 10.732 -1.881 176 HE1 TYR 22 1HE TYR 22 3.419 12.113 -5.194 177 HE2 TYR 22 2HE TYR 22 7.331 10.628 -4.377 178 HH TYR 22 HH TYR 22 6.185 10.491 -6.420 179 H ARG 23 H ARG 23 1.367 9.152 -0.147 180 HA ARG 23 HA ARG 23 -0.174 11.536 -0.752 181 1HB ARG 23 1HB ARG 23 -0.352 8.691 -1.532 182 2HB ARG 23 2HB ARG 23 -1.890 9.310 -0.964 183 1HG ARG 23 1HG ARG 23 -2.067 9.981 -3.168 184 2HG ARG 23 2HG ARG 23 -1.225 11.389 -2.552 185 1HD ARG 23 1HD ARG 23 0.112 10.843 -4.401 186 2HD ARG 23 2HD ARG 23 0.968 10.012 -3.117 187 HE ARG 23 HE ARG 23 0.343 7.956 -4.053 188 1HH1 ARG 23 1HH1 ARG 23 -2.360 9.490 -6.624 189 2HH1 ARG 23 2HH1 ARG 23 -1.738 10.482 -5.348 190 1HH2 ARG 23 1HH2 ARG 23 -1.778 7.244 -6.731 191 2HH2 ARG 23 2HH2 ARG 23 -0.600 6.603 -5.635 192 HA PRO 24 HA PRO 24 -2.117 9.345 3.069 193 1HB PRO 24 1HB PRO 24 -0.362 7.735 4.529 194 2HB PRO 24 2HB PRO 24 -1.498 7.114 3.348 195 1HG PRO 24 1HG PRO 24 1.436 7.394 3.128 196 2HG PRO 24 2HG PRO 24 0.352 6.409 2.166 197 1HD PRO 24 1HD PRO 24 1.551 8.897 1.393 198 2HD PRO 24 2HD PRO 24 0.378 7.971 0.479 199 H VAL 25 H VAL 25 0.149 11.451 2.543 200 HA VAL 25 HA VAL 25 0.729 12.003 5.357 201 HB VAL 25 HB VAL 25 2.316 13.658 4.409 202 1HG1 VAL 25 1HG1 VAL 25 3.984 12.102 4.130 203 2HG1 VAL 25 2HG1 VAL 25 2.723 11.074 4.853 204 3HG1 VAL 25 3HG1 VAL 25 2.989 11.052 3.093 205 1HG2 VAL 25 1HG2 VAL 25 1.193 12.608 1.820 206 2HG2 VAL 25 2HG2 VAL 25 1.530 14.285 2.313 207 3HG2 VAL 25 3HG2 VAL 25 2.872 13.192 1.899 208 H CYS 26 H CYS 26 -1.441 12.771 2.793 209 HA CYS 26 HA CYS 26 -1.852 15.488 3.386 210 1HB CYS 26 1HB CYS 26 -3.781 13.529 2.099 211 2HB CYS 26 2HB CYS 26 -3.871 15.278 2.028 212 HG CYS 26 HG CYS 26 -1.908 13.117 0.594 Start of MODEL 16 1 1H GLY 1 HN1 GLY 1 5.018 10.232 1.709 2 2H GLY 1 HN2 GLY 1 6.544 10.875 1.706 3 3H GLY 1 HN3 GLY 1 5.761 10.607 3.141 4 1HA GLY 1 1HA GLY 1 5.793 8.218 1.772 5 2HA GLY 1 2HA GLY 1 7.408 8.895 1.704 6 H ASN 2 H ASN 2 6.229 10.371 4.392 7 HA ASN 2 HA ASN 2 7.663 8.653 6.093 8 1HB ASN 2 1HB ASN 2 7.020 10.256 7.864 9 2HB ASN 2 2HB ASN 2 7.499 11.137 6.426 10 1HD2 ASN 2 1HD2 ASN 2 5.025 10.451 8.667 11 2HD2 ASN 2 2HD2 ASN 2 3.764 11.434 8.001 12 H ASP 3 H ASP 3 4.342 8.941 4.991 13 HA ASP 3 HA ASP 3 3.444 7.279 7.204 14 1HB ASP 3 1HB ASP 3 2.065 9.170 5.284 15 2HB ASP 3 2HB ASP 3 1.130 7.877 6.008 16 H TYR 4 H TYR 4 2.182 5.318 6.656 17 HA TYR 4 HA TYR 4 1.586 4.544 4.045 18 1HB TYR 4 1HB TYR 4 3.487 2.698 4.078 19 2HB TYR 4 2HB TYR 4 3.953 4.321 3.611 20 HD1 TYR 4 1HD TYR 4 5.592 5.518 4.832 21 HD2 TYR 4 2HD TYR 4 3.895 1.960 6.494 22 HE1 TYR 4 1HE TYR 4 7.333 5.544 6.684 23 HE2 TYR 4 2HE TYR 4 5.642 1.998 8.341 24 HH TYR 4 HH TYR 4 7.065 3.526 9.438 25 H GLU 5 H GLU 5 2.044 1.718 4.292 26 HA GLU 5 HA GLU 5 1.256 0.842 6.836 27 1HB GLU 5 1HB GLU 5 -0.874 1.611 4.948 28 2HB GLU 5 2HB GLU 5 -1.022 -0.053 5.477 29 1HG GLU 5 1HG GLU 5 -0.406 1.978 7.602 30 2HG GLU 5 2HG GLU 5 -2.010 2.045 6.900 31 H ASP 6 H ASP 6 2.978 -0.638 6.489 32 HA ASP 6 HA ASP 6 2.981 -2.217 4.131 33 1HB ASP 6 1HB ASP 6 4.618 -2.053 6.663 34 2HB ASP 6 2HB ASP 6 4.751 -3.505 5.692 35 H ARG 7 H ARG 7 1.252 -3.700 4.006 36 HA ARG 7 HA ARG 7 1.250 -5.795 5.901 37 1HB ARG 7 1HB ARG 7 -0.666 -3.603 6.214 38 2HB ARG 7 2HB ARG 7 -1.517 -5.097 5.874 39 1HG ARG 7 1HG ARG 7 -0.660 -6.185 7.800 40 2HG ARG 7 2HG ARG 7 0.704 -5.092 7.935 41 1HD ARG 7 1HD ARG 7 -2.057 -3.904 8.185 42 2HD ARG 7 2HD ARG 7 -1.469 -4.869 9.525 43 HE ARG 7 HE ARG 7 -0.609 -2.213 8.864 44 1HH1 ARG 7 1HH1 ARG 7 1.405 -1.346 9.581 45 2HH1 ARG 7 2HH1 ARG 7 2.512 -2.357 10.448 46 1HH2 ARG 7 1HH2 ARG 7 0.545 -5.247 10.236 47 2HH2 ARG 7 2HH2 ARG 7 1.747 -4.456 11.200 48 H TYR 8 H TYR 8 -1.333 -4.319 3.799 49 HA TYR 8 HA TYR 8 -2.480 -6.333 2.644 50 1HB TYR 8 1HB TYR 8 -1.683 -3.647 1.946 51 2HB TYR 8 2HB TYR 8 -1.345 -4.615 0.524 52 HD1 TYR 8 1HD TYR 8 -3.782 -2.673 2.103 53 HD2 TYR 8 2HD TYR 8 -3.357 -6.301 -0.125 54 HE1 TYR 8 1HE TYR 8 -6.232 -2.558 1.434 55 HE2 TYR 8 2HE TYR 8 -5.808 -6.173 -0.787 56 HH TYR 8 HH TYR 8 -7.916 -3.701 0.576 57 H TYR 9 H TYR 9 -1.677 -8.349 2.222 58 HA TYR 9 HA TYR 9 0.834 -9.078 1.595 59 1HB TYR 9 1HB TYR 9 -0.742 -10.763 0.032 60 2HB TYR 9 2HB TYR 9 -0.598 -10.925 1.770 61 HD1 TYR 9 1HD TYR 9 -2.825 -10.270 -0.969 62 HD2 TYR 9 2HD TYR 9 -2.327 -9.721 3.245 63 HE1 TYR 9 1HE TYR 9 -5.324 -9.876 -0.718 64 HE2 TYR 9 2HE TYR 9 -4.828 -9.329 3.481 65 HH TYR 9 HH TYR 9 -6.849 -9.864 2.324 66 H ARG 10 H ARG 10 2.203 -8.177 0.123 67 HA ARG 10 HA ARG 10 1.147 -7.161 -2.309 68 1HB ARG 10 1HB ARG 10 3.988 -7.426 -1.213 69 2HB ARG 10 2HB ARG 10 3.646 -6.710 -2.776 70 1HG ARG 10 1HG ARG 10 3.500 -4.760 -1.577 71 2HG ARG 10 2HG ARG 10 1.868 -5.306 -1.245 72 1HD ARG 10 1HD ARG 10 2.392 -6.013 0.938 73 2HD ARG 10 2HD ARG 10 4.082 -6.285 0.562 74 HE ARG 10 HE ARG 10 4.534 -4.037 1.049 75 1HH1 ARG 10 1HH1 ARG 10 3.985 -1.976 1.919 76 2HH1 ARG 10 2HH1 ARG 10 2.407 -1.341 1.593 77 1HH2 ARG 10 1HH2 ARG 10 0.691 -2.816 1.010 78 2HH2 ARG 10 2HH2 ARG 10 1.058 -4.481 0.704 79 H GLU 11 H GLU 11 0.452 -8.775 -3.736 80 HA GLU 11 HA GLU 11 2.353 -10.931 -4.214 81 1HB GLU 11 1HB GLU 11 -0.300 -11.325 -5.393 82 2HB GLU 11 2HB GLU 11 0.601 -12.368 -4.311 83 1HG GLU 11 1HG GLU 11 -0.703 -9.855 -3.227 84 2HG GLU 11 2HG GLU 11 -1.677 -11.285 -3.503 85 H ASN 12 H ASN 12 -0.264 -9.184 -6.053 86 HA ASN 12 HA ASN 12 1.330 -7.947 -7.843 87 1HB ASN 12 1HB ASN 12 2.264 -9.840 -8.872 88 2HB ASN 12 2HB ASN 12 0.876 -10.850 -8.518 89 1HD2 ASN 12 1HD2 ASN 12 -0.307 -10.629 -11.746 90 2HD2 ASN 12 2HD2 ASN 12 0.220 -11.591 -10.405 91 H MET 13 H MET 13 -1.310 -10.384 -8.478 92 HA MET 13 HA MET 13 -2.874 -8.608 -9.906 93 1HB MET 13 1HB MET 13 -3.844 -11.033 -8.300 94 2HB MET 13 2HB MET 13 -4.580 -10.382 -9.751 95 1HG MET 13 1HG MET 13 -2.371 -10.903 -10.971 96 2HG MET 13 2HG MET 13 -1.869 -11.769 -9.533 97 1HE MET 13 1HE MET 13 -2.739 -12.805 -12.833 98 2HE MET 13 2HE MET 13 -1.578 -13.433 -11.639 99 3HE MET 13 3HE MET 13 -2.895 -14.474 -12.233 100 H TYR 14 H TYR 14 -5.499 -8.774 -8.919 101 HA TYR 14 HA TYR 14 -5.565 -6.619 -7.151 102 1HB TYR 14 1HB TYR 14 -7.339 -7.460 -8.795 103 2HB TYR 14 2HB TYR 14 -7.583 -8.865 -7.777 104 HD1 TYR 14 1HD TYR 14 -9.975 -7.578 -8.304 105 HD2 TYR 14 2HD TYR 14 -6.997 -6.369 -5.480 106 HE1 TYR 14 1HE TYR 14 -11.736 -6.312 -6.978 107 HE2 TYR 14 2HE TYR 14 -8.768 -5.107 -4.164 108 HH TYR 14 HH TYR 14 -12.174 -5.260 -5.119 109 H ARG 15 H ARG 15 -3.997 -7.434 -5.469 110 HA ARG 15 HA ARG 15 -5.505 -8.982 -3.523 111 1HB ARG 15 1HB ARG 15 -2.650 -9.305 -4.461 112 2HB ARG 15 2HB ARG 15 -2.995 -9.636 -2.775 113 1HG ARG 15 1HG ARG 15 -4.901 -10.847 -4.738 114 2HG ARG 15 2HG ARG 15 -3.271 -11.487 -4.780 115 1HD ARG 15 1HD ARG 15 -3.402 -11.856 -2.272 116 2HD ARG 15 2HD ARG 15 -5.072 -11.328 -2.315 117 HE ARG 15 HE ARG 15 -5.494 -13.255 -3.911 118 1HH1 ARG 15 1HH1 ARG 15 -2.763 -13.330 -1.695 119 2HH1 ARG 15 2HH1 ARG 15 -2.611 -15.055 -1.738 120 1HH2 ARG 15 1HH2 ARG 15 -5.223 -15.528 -4.046 121 2HH2 ARG 15 2HH2 ARG 15 -4.147 -16.320 -2.944 122 H TYR 16 H TYR 16 -3.869 -6.104 -4.384 123 HA TYR 16 HA TYR 16 -4.294 -4.926 -1.866 124 1HB TYR 16 1HB TYR 16 -2.111 -5.015 -0.969 125 2HB TYR 16 2HB TYR 16 -2.048 -6.503 -1.892 126 HD1 TYR 16 1HD TYR 16 -0.508 -3.350 -1.337 127 HD2 TYR 16 2HD TYR 16 -1.174 -6.305 -4.359 128 HE1 TYR 16 1HE TYR 16 1.471 -2.455 -2.660 129 HE2 TYR 16 2HE TYR 16 0.806 -5.400 -5.670 130 HH TYR 16 HH TYR 16 2.537 -2.519 -4.562 131 HA PRO 17 HA PRO 17 -3.982 -1.504 -4.566 132 1HB PRO 17 1HB PRO 17 -3.845 0.541 -2.668 133 2HB PRO 17 2HB PRO 17 -5.337 -0.244 -3.145 134 1HG PRO 17 1HG PRO 17 -3.809 -0.539 -0.632 135 2HG PRO 17 2HG PRO 17 -5.477 -0.965 -0.959 136 1HD PRO 17 1HD PRO 17 -3.251 -2.764 -0.778 137 2HD PRO 17 2HD PRO 17 -4.896 -3.174 -1.220 138 H ASN 18 H ASN 18 -2.029 -0.186 -1.868 139 HA ASN 18 HA ASN 18 0.397 -0.775 -3.151 140 1HB ASN 18 1HB ASN 18 0.465 2.100 -3.154 141 2HB ASN 18 2HB ASN 18 0.634 1.029 -4.530 142 1HD2 ASN 18 1HD2 ASN 18 -2.425 1.766 -5.953 143 2HD2 ASN 18 2HD2 ASN 18 -0.883 0.980 -6.029 144 H GLN 19 H GLN 19 -0.806 2.241 -1.498 145 HA GLN 19 HA GLN 19 -0.370 3.145 0.426 146 1HB GLN 19 1HB GLN 19 0.343 0.486 1.678 147 2HB GLN 19 2HB GLN 19 -0.524 1.835 2.384 148 1HG GLN 19 1HG GLN 19 -2.334 1.351 0.532 149 2HG GLN 19 2HG GLN 19 -1.535 -0.200 0.369 150 1HE2 GLN 19 1HE2 GLN 19 -2.270 -1.356 3.675 151 2HE2 GLN 19 2HE2 GLN 19 -0.807 -0.877 2.880 152 H VAL 20 H VAL 20 1.769 3.002 -1.476 153 HA VAL 20 HA VAL 20 4.008 3.207 0.378 154 HB VAL 20 HB VAL 20 5.427 2.075 -1.405 155 1HG1 VAL 20 1HG1 VAL 20 3.423 0.494 0.235 156 2HG1 VAL 20 2HG1 VAL 20 4.852 -0.216 -0.554 157 3HG1 VAL 20 3HG1 VAL 20 5.056 1.011 0.719 158 1HG2 VAL 20 1HG2 VAL 20 4.002 0.246 -2.620 159 2HG2 VAL 20 2HG2 VAL 20 2.667 1.402 -2.396 160 3HG2 VAL 20 3HG2 VAL 20 4.117 1.883 -3.310 161 H TYR 21 H TYR 21 3.612 5.501 0.157 162 HA TYR 21 HA TYR 21 5.157 6.723 -1.785 163 1HB TYR 21 1HB TYR 21 2.899 7.844 -2.821 164 2HB TYR 21 2HB TYR 21 3.570 6.380 -3.514 165 HD1 TYR 21 1HD TYR 21 1.708 6.668 -0.293 166 HD2 TYR 21 2HD TYR 21 1.632 5.322 -4.353 167 HE1 TYR 21 1HE TYR 21 -0.482 5.452 0.143 168 HE2 TYR 21 2HE TYR 21 -0.558 4.111 -3.903 169 HH TYR 21 HH TYR 21 -1.895 3.354 -2.293 170 H TYR 22 H TYR 22 4.167 9.240 -2.019 171 HA TYR 22 HA TYR 22 3.855 10.011 0.789 172 1HB TYR 22 1HB TYR 22 4.454 12.295 -0.509 173 2HB TYR 22 2HB TYR 22 5.725 11.131 -0.188 174 HD1 TYR 22 1HD TYR 22 3.114 11.761 -2.821 175 HD2 TYR 22 2HD TYR 22 7.146 10.630 -1.946 176 HE1 TYR 22 1HE TYR 22 3.621 11.620 -5.308 177 HE2 TYR 22 2HE TYR 22 7.640 10.492 -4.436 178 HH TYR 22 HH TYR 22 6.567 10.238 -6.470 179 H ARG 23 H ARG 23 1.490 9.025 -0.157 180 HA ARG 23 HA ARG 23 0.049 11.420 -0.962 181 1HB ARG 23 1HB ARG 23 -0.171 8.560 -1.691 182 2HB ARG 23 2HB ARG 23 -1.716 9.246 -1.229 183 1HG ARG 23 1HG ARG 23 -1.868 10.219 -3.269 184 2HG ARG 23 2HG ARG 23 -0.476 11.210 -2.880 185 1HD ARG 23 1HD ARG 23 0.036 10.012 -4.931 186 2HD ARG 23 2HD ARG 23 1.028 9.322 -3.663 187 HE ARG 23 HE ARG 23 -0.134 7.302 -3.886 188 1HH1 ARG 23 1HH1 ARG 23 -3.029 8.763 -6.271 189 2HH1 ARG 23 2HH1 ARG 23 -1.973 9.867 -5.453 190 1HH2 ARG 23 1HH2 ARG 23 -3.084 6.535 -5.587 191 2HH2 ARG 23 2HH2 ARG 23 -1.822 5.917 -4.574 192 HA PRO 24 HA PRO 24 -2.184 9.356 2.765 193 1HB PRO 24 1HB PRO 24 -0.634 7.594 4.279 194 2HB PRO 24 2HB PRO 24 -1.760 7.080 3.039 195 1HG PRO 24 1HG PRO 24 1.195 7.124 2.957 196 2HG PRO 24 2HG PRO 24 0.081 6.241 1.931 197 1HD PRO 24 1HD PRO 24 1.511 8.633 1.251 198 2HD PRO 24 2HD PRO 24 0.311 7.815 0.271 199 H VAL 25 H VAL 25 0.372 11.208 2.385 200 HA VAL 25 HA VAL 25 0.940 11.659 5.195 201 HB VAL 25 HB VAL 25 2.560 13.276 4.338 202 1HG1 VAL 25 1HG1 VAL 25 4.058 11.688 3.202 203 2HG1 VAL 25 2HG1 VAL 25 3.227 10.931 4.583 204 3HG1 VAL 25 3HG1 VAL 25 2.684 10.591 2.922 205 1HG2 VAL 25 1HG2 VAL 25 1.517 12.497 1.593 206 2HG2 VAL 25 2HG2 VAL 25 1.343 14.084 2.379 207 3HG2 VAL 25 3HG2 VAL 25 2.956 13.495 1.911 208 H CYS 26 H CYS 26 -1.251 12.688 2.707 209 HA CYS 26 HA CYS 26 -1.615 15.331 3.665 210 1HB CYS 26 1HB CYS 26 -3.685 13.825 2.075 211 2HB CYS 26 2HB CYS 26 -3.297 15.534 2.046 212 HG CYS 26 HG CYS 26 -1.528 12.945 0.993 Start of MODEL 17 1 1H GLY 1 HN1 GLY 1 4.981 10.784 2.029 2 2H GLY 1 HN2 GLY 1 6.472 11.158 1.415 3 3H GLY 1 HN3 GLY 1 6.228 11.156 3.053 4 1HA GLY 1 1HA GLY 1 5.543 8.692 1.838 5 2HA GLY 1 2HA GLY 1 7.223 9.130 1.596 6 H ASN 2 H ASN 2 6.001 10.677 4.401 7 HA ASN 2 HA ASN 2 7.612 9.013 6.029 8 1HB ASN 2 1HB ASN 2 7.054 10.601 7.814 9 2HB ASN 2 2HB ASN 2 7.351 11.514 6.349 10 1HD2 ASN 2 1HD2 ASN 2 5.185 10.794 8.839 11 2HD2 ASN 2 2HD2 ASN 2 3.821 11.713 8.295 12 H ASP 3 H ASP 3 4.330 9.041 4.926 13 HA ASP 3 HA ASP 3 3.527 7.402 7.199 14 1HB ASP 3 1HB ASP 3 2.016 9.261 5.347 15 2HB ASP 3 2HB ASP 3 1.155 7.933 6.100 16 H TYR 4 H TYR 4 2.345 5.394 6.672 17 HA TYR 4 HA TYR 4 1.706 4.644 4.049 18 1HB TYR 4 1HB TYR 4 3.642 2.821 4.080 19 2HB TYR 4 2HB TYR 4 4.064 4.449 3.585 20 HD1 TYR 4 1HD TYR 4 5.544 5.817 4.903 21 HD2 TYR 4 2HD TYR 4 4.245 2.011 6.365 22 HE1 TYR 4 1HE TYR 4 7.309 5.908 6.730 23 HE2 TYR 4 2HE TYR 4 6.015 2.116 8.188 24 HH TYR 4 HH TYR 4 7.365 3.552 9.302 25 H GLU 5 H GLU 5 2.296 1.809 4.325 26 HA GLU 5 HA GLU 5 1.561 0.876 6.832 27 1HB GLU 5 1HB GLU 5 -0.660 1.761 5.135 28 2HB GLU 5 2HB GLU 5 -0.795 0.055 5.513 29 1HG GLU 5 1HG GLU 5 -0.123 2.007 7.729 30 2HG GLU 5 2HG GLU 5 -1.781 1.882 7.176 31 H ASP 6 H ASP 6 3.133 -0.709 6.468 32 HA ASP 6 HA ASP 6 3.037 -2.183 4.022 33 1HB ASP 6 1HB ASP 6 4.767 -2.317 6.525 34 2HB ASP 6 2HB ASP 6 4.922 -3.501 5.242 35 H ARG 7 H ARG 7 1.386 -3.732 3.902 36 HA ARG 7 HA ARG 7 1.416 -5.827 5.778 37 1HB ARG 7 1HB ARG 7 -0.417 -3.638 6.272 38 2HB ARG 7 2HB ARG 7 -1.361 -5.039 5.806 39 1HG ARG 7 1HG ARG 7 -0.558 -6.351 7.616 40 2HG ARG 7 2HG ARG 7 0.862 -5.349 7.844 41 1HD ARG 7 1HD ARG 7 -1.907 -4.173 8.262 42 2HD ARG 7 2HD ARG 7 -1.159 -5.124 9.529 43 HE ARG 7 HE ARG 7 -0.280 -2.472 8.567 44 1HH1 ARG 7 1HH1 ARG 7 1.162 -1.355 9.952 45 2HH1 ARG 7 2HH1 ARG 7 2.147 -2.249 11.062 46 1HH2 ARG 7 1HH2 ARG 7 0.691 -5.361 10.328 47 2HH2 ARG 7 2HH2 ARG 7 1.629 -4.488 11.493 48 H TYR 8 H TYR 8 -1.180 -4.278 3.742 49 HA TYR 8 HA TYR 8 -2.462 -6.173 2.598 50 1HB TYR 8 1HB TYR 8 -1.396 -3.614 1.819 51 2HB TYR 8 2HB TYR 8 -1.103 -4.661 0.445 52 HD1 TYR 8 1HD TYR 8 -3.399 -2.447 1.866 53 HD2 TYR 8 2HD TYR 8 -3.239 -6.180 -0.218 54 HE1 TYR 8 1HE TYR 8 -5.805 -2.134 1.106 55 HE2 TYR 8 2HE TYR 8 -5.645 -5.854 -0.972 56 HH TYR 8 HH TYR 8 -7.520 -3.059 0.141 57 H TYR 9 H TYR 9 -1.918 -8.271 2.202 58 HA TYR 9 HA TYR 9 0.541 -9.272 1.656 59 1HB TYR 9 1HB TYR 9 -1.186 -10.892 0.201 60 2HB TYR 9 2HB TYR 9 -1.071 -10.951 1.949 61 HD1 TYR 9 1HD TYR 9 -3.174 -10.149 -0.882 62 HD2 TYR 9 2HD TYR 9 -2.720 -9.616 3.339 63 HE1 TYR 9 1HE TYR 9 -5.626 -9.504 -0.692 64 HE2 TYR 9 2HE TYR 9 -5.173 -8.973 3.514 65 HH TYR 9 HH TYR 9 -6.917 -8.161 2.209 66 H ARG 10 H ARG 10 1.958 -8.481 0.149 67 HA ARG 10 HA ARG 10 0.972 -7.556 -2.342 68 1HB ARG 10 1HB ARG 10 3.832 -8.012 -1.349 69 2HB ARG 10 2HB ARG 10 3.424 -7.184 -2.839 70 1HG ARG 10 1HG ARG 10 3.531 -5.320 -1.489 71 2HG ARG 10 2HG ARG 10 1.865 -5.744 -1.151 72 1HD ARG 10 1HD ARG 10 2.370 -6.645 0.965 73 2HD ARG 10 2HD ARG 10 4.023 -7.031 0.528 74 HE ARG 10 HE ARG 10 4.651 -4.918 1.282 75 1HH1 ARG 10 1HH1 ARG 10 4.327 -2.804 2.094 76 2HH1 ARG 10 2HH1 ARG 10 2.813 -2.006 1.835 77 1HH2 ARG 10 1HH2 ARG 10 1.050 -3.154 0.851 78 2HH2 ARG 10 2HH2 ARG 10 1.248 -4.812 0.392 79 H GLU 11 H GLU 11 0.200 -9.156 -3.730 80 HA GLU 11 HA GLU 11 1.908 -11.497 -4.037 81 1HB GLU 11 1HB GLU 11 -0.723 -11.718 -5.295 82 2HB GLU 11 2HB GLU 11 0.034 -12.768 -4.113 83 1HG GLU 11 1HG GLU 11 -1.031 -10.087 -3.202 84 2HG GLU 11 2HG GLU 11 -2.169 -11.386 -3.504 85 H ASN 12 H ASN 12 -0.390 -9.451 -5.990 86 HA ASN 12 HA ASN 12 1.356 -8.532 -7.793 87 1HB ASN 12 1HB ASN 12 2.093 -10.561 -8.719 88 2HB ASN 12 2HB ASN 12 0.588 -11.389 -8.373 89 1HD2 ASN 12 1HD2 ASN 12 -0.148 -11.263 -11.761 90 2HD2 ASN 12 2HD2 ASN 12 -0.057 -12.139 -10.270 91 H MET 13 H MET 13 -1.533 -10.675 -8.409 92 HA MET 13 HA MET 13 -2.838 -8.751 -9.931 93 1HB MET 13 1HB MET 13 -4.205 -11.007 -8.386 94 2HB MET 13 2HB MET 13 -4.658 -10.361 -9.950 95 1HG MET 13 1HG MET 13 -2.549 -11.264 -10.944 96 2HG MET 13 2HG MET 13 -2.072 -11.891 -9.379 97 1HE MET 13 1HE MET 13 -3.028 -13.082 -12.524 98 2HE MET 13 2HE MET 13 -1.963 -13.984 -11.420 99 3HE MET 13 3HE MET 13 -3.463 -14.732 -12.019 100 H TYR 14 H TYR 14 -5.536 -8.792 -8.957 101 HA TYR 14 HA TYR 14 -5.477 -6.582 -7.244 102 1HB TYR 14 1HB TYR 14 -7.291 -7.299 -8.883 103 2HB TYR 14 2HB TYR 14 -7.614 -8.709 -7.894 104 HD1 TYR 14 1HD TYR 14 -9.951 -7.360 -8.373 105 HD2 TYR 14 2HD TYR 14 -6.909 -6.223 -5.587 106 HE1 TYR 14 1HE TYR 14 -11.659 -6.032 -7.037 107 HE2 TYR 14 2HE TYR 14 -8.628 -4.900 -4.261 108 HH TYR 14 HH TYR 14 -11.941 -4.556 -5.443 109 H ARG 15 H ARG 15 -4.022 -7.390 -5.496 110 HA ARG 15 HA ARG 15 -5.648 -8.783 -3.536 111 1HB ARG 15 1HB ARG 15 -2.867 -9.454 -4.494 112 2HB ARG 15 2HB ARG 15 -3.193 -9.660 -2.784 113 1HG ARG 15 1HG ARG 15 -5.236 -10.762 -4.697 114 2HG ARG 15 2HG ARG 15 -3.698 -11.598 -4.614 115 1HD ARG 15 1HD ARG 15 -3.937 -11.925 -2.187 116 2HD ARG 15 2HD ARG 15 -5.377 -10.927 -2.151 117 HE ARG 15 HE ARG 15 -6.474 -12.672 -3.612 118 1HH1 ARG 15 1HH1 ARG 15 -3.670 -13.524 -1.664 119 2HH1 ARG 15 2HH1 ARG 15 -4.016 -15.221 -1.678 120 1HH2 ARG 15 1HH2 ARG 15 -6.997 -14.899 -3.522 121 2HH2 ARG 15 2HH2 ARG 15 -5.864 -16.019 -2.842 122 H TYR 16 H TYR 16 -3.758 -6.105 -4.476 123 HA TYR 16 HA TYR 16 -4.039 -4.816 -2.004 124 1HB TYR 16 1HB TYR 16 -1.887 -5.119 -1.075 125 2HB TYR 16 2HB TYR 16 -1.992 -6.639 -1.941 126 HD1 TYR 16 1HD TYR 16 -0.198 -3.546 -1.587 127 HD2 TYR 16 2HD TYR 16 -0.978 -6.763 -4.298 128 HE1 TYR 16 1HE TYR 16 1.884 -2.941 -2.915 129 HE2 TYR 16 2HE TYR 16 1.107 -6.147 -5.617 130 HH TYR 16 HH TYR 16 3.032 -3.307 -4.722 131 HA PRO 17 HA PRO 17 -3.340 -1.576 -4.859 132 1HB PRO 17 1HB PRO 17 -3.181 0.539 -3.040 133 2HB PRO 17 2HB PRO 17 -4.691 -0.159 -3.591 134 1HG PRO 17 1HG PRO 17 -3.365 -0.448 -0.965 135 2HG PRO 17 2HG PRO 17 -5.034 -0.768 -1.393 136 1HD PRO 17 1HD PRO 17 -2.965 -2.711 -0.981 137 2HD PRO 17 2HD PRO 17 -4.602 -3.023 -1.522 138 H ASN 18 H ASN 18 -1.483 -0.282 -2.083 139 HA ASN 18 HA ASN 18 0.976 -1.109 -3.129 140 1HB ASN 18 1HB ASN 18 1.369 1.689 -3.366 141 2HB ASN 18 2HB ASN 18 1.354 0.528 -4.679 142 1HD2 ASN 18 1HD2 ASN 18 -1.393 1.973 -6.174 143 2HD2 ASN 18 2HD2 ASN 18 0.089 1.081 -6.267 144 H GLN 19 H GLN 19 -0.227 2.052 -1.759 145 HA GLN 19 HA GLN 19 0.010 3.009 0.176 146 1HB GLN 19 1HB GLN 19 0.921 0.452 1.517 147 2HB GLN 19 2HB GLN 19 -0.040 1.756 2.186 148 1HG GLN 19 1HG GLN 19 -1.673 0.984 0.122 149 2HG GLN 19 2HG GLN 19 -0.891 -0.545 0.473 150 1HE2 GLN 19 1HE2 GLN 19 -2.065 -0.745 3.879 151 2HE2 GLN 19 2HE2 GLN 19 -0.545 -0.722 3.050 152 H VAL 20 H VAL 20 2.097 3.338 -1.554 153 HA VAL 20 HA VAL 20 4.313 3.623 0.290 154 HB VAL 20 HB VAL 20 5.886 2.672 -1.407 155 1HG1 VAL 20 1HG1 VAL 20 3.923 0.604 -0.382 156 2HG1 VAL 20 2HG1 VAL 20 5.677 0.433 -0.628 157 3HG1 VAL 20 3HG1 VAL 20 5.059 1.477 0.675 158 1HG2 VAL 20 1HG2 VAL 20 4.457 0.805 -2.790 159 2HG2 VAL 20 2HG2 VAL 20 3.328 2.181 -2.808 160 3HG2 VAL 20 3HG2 VAL 20 4.976 2.373 -3.453 161 H TYR 21 H TYR 21 3.679 5.869 0.133 162 HA TYR 21 HA TYR 21 5.099 7.301 -1.766 163 1HB TYR 21 1HB TYR 21 2.732 8.222 -2.760 164 2HB TYR 21 2HB TYR 21 3.550 6.864 -3.506 165 HD1 TYR 21 1HD TYR 21 1.743 6.751 -0.255 166 HD2 TYR 21 2HD TYR 21 1.668 5.723 -4.407 167 HE1 TYR 21 1HE TYR 21 -0.305 5.297 0.135 168 HE2 TYR 21 2HE TYR 21 -0.380 4.272 -4.004 169 HH TYR 21 HH TYR 21 -1.579 3.256 -2.419 170 H TYR 22 H TYR 22 3.932 9.720 -1.901 171 HA TYR 22 HA TYR 22 3.540 10.365 0.924 172 1HB TYR 22 1HB TYR 22 3.897 12.736 -0.289 173 2HB TYR 22 2HB TYR 22 5.281 11.687 -0.052 174 HD1 TYR 22 1HD TYR 22 2.605 12.411 -2.579 175 HD2 TYR 22 2HD TYR 22 6.637 11.166 -1.875 176 HE1 TYR 22 1HE TYR 22 3.054 12.426 -5.081 177 HE2 TYR 22 2HE TYR 22 7.073 11.185 -4.380 178 HH TYR 22 HH TYR 22 5.667 12.709 -6.439 179 H ARG 23 H ARG 23 1.286 9.154 -0.136 180 HA ARG 23 HA ARG 23 -0.405 11.423 -0.801 181 1HB ARG 23 1HB ARG 23 -0.381 8.546 -1.585 182 2HB ARG 23 2HB ARG 23 -1.976 9.167 -1.207 183 1HG ARG 23 1HG ARG 23 -2.022 10.015 -3.314 184 2HG ARG 23 2HG ARG 23 -0.869 11.214 -2.764 185 1HD ARG 23 1HD ARG 23 0.141 10.214 -4.696 186 2HD ARG 23 2HD ARG 23 0.992 9.524 -3.328 187 HE ARG 23 HE ARG 23 -0.048 7.428 -3.731 188 1HH1 ARG 23 1HH1 ARG 23 -2.320 8.786 -6.773 189 2HH1 ARG 23 2HH1 ARG 23 -1.679 9.902 -5.613 190 1HH2 ARG 23 1HH2 ARG 23 -1.905 6.513 -6.544 191 2HH2 ARG 23 2HH2 ARG 23 -0.836 5.950 -5.303 192 HA PRO 24 HA PRO 24 -2.397 8.978 2.830 193 1HB PRO 24 1HB PRO 24 -0.672 7.308 4.258 194 2HB PRO 24 2HB PRO 24 -1.748 6.744 2.996 195 1HG PRO 24 1HG PRO 24 1.187 7.084 2.913 196 2HG PRO 24 2HG PRO 24 0.161 6.144 1.848 197 1HD PRO 24 1HD PRO 24 1.343 8.695 1.281 198 2HD PRO 24 2HD PRO 24 0.224 7.809 0.264 199 H VAL 25 H VAL 25 0.155 10.970 2.561 200 HA VAL 25 HA VAL 25 0.665 11.370 5.363 201 HB VAL 25 HB VAL 25 2.036 13.241 4.550 202 1HG1 VAL 25 1HG1 VAL 25 3.702 11.901 3.350 203 2HG1 VAL 25 2HG1 VAL 25 2.983 10.975 4.690 204 3HG1 VAL 25 3HG1 VAL 25 2.473 10.657 3.014 205 1HG2 VAL 25 1HG2 VAL 25 0.943 12.452 1.831 206 2HG2 VAL 25 2HG2 VAL 25 0.750 14.013 2.665 207 3HG2 VAL 25 3HG2 VAL 25 2.354 13.508 2.080 208 H CYS 26 H CYS 26 -1.651 12.398 2.948 209 HA CYS 26 HA CYS 26 -2.290 14.883 4.097 210 1HB CYS 26 1HB CYS 26 -3.743 13.034 2.197 211 2HB CYS 26 2HB CYS 26 -4.480 14.513 2.781 212 HG CYS 26 HG CYS 26 -1.471 15.113 2.107 Start of MODEL 18 1 1H GLY 1 HN1 GLY 1 4.889 10.065 2.522 2 2H GLY 1 HN2 GLY 1 6.132 10.815 1.725 3 3H GLY 1 HN3 GLY 1 6.036 10.899 3.376 4 1HA GLY 1 1HA GLY 1 6.215 8.308 2.083 5 2HA GLY 1 2HA GLY 1 7.662 9.280 2.260 6 H ASN 2 H ASN 2 5.959 10.418 4.791 7 HA ASN 2 HA ASN 2 7.331 8.685 6.592 8 1HB ASN 2 1HB ASN 2 6.472 10.279 8.334 9 2HB ASN 2 2HB ASN 2 7.279 11.120 7.026 10 1HD2 ASN 2 1HD2 ASN 2 4.309 10.490 8.660 11 2HD2 ASN 2 2HD2 ASN 2 3.278 11.577 7.791 12 H ASP 3 H ASP 3 4.247 8.863 5.057 13 HA ASP 3 HA ASP 3 3.040 7.318 7.213 14 1HB ASP 3 1HB ASP 3 1.861 9.097 5.045 15 2HB ASP 3 2HB ASP 3 0.866 7.917 5.876 16 H TYR 4 H TYR 4 2.312 5.203 6.686 17 HA TYR 4 HA TYR 4 1.865 4.430 3.974 18 1HB TYR 4 1HB TYR 4 3.750 2.603 4.303 19 2HB TYR 4 2HB TYR 4 4.274 4.222 3.883 20 HD1 TYR 4 1HD TYR 4 5.547 5.569 5.427 21 HD2 TYR 4 2HD TYR 4 3.988 1.775 6.644 22 HE1 TYR 4 1HE TYR 4 7.009 5.626 7.506 23 HE2 TYR 4 2HE TYR 4 5.455 1.846 8.719 24 HH TYR 4 HH TYR 4 6.822 3.023 9.913 25 H GLU 5 H GLU 5 2.351 1.603 4.399 26 HA GLU 5 HA GLU 5 1.280 0.737 6.802 27 1HB GLU 5 1HB GLU 5 -0.693 1.622 4.813 28 2HB GLU 5 2HB GLU 5 -0.920 -0.061 5.242 29 1HG GLU 5 1HG GLU 5 -0.486 2.012 7.416 30 2HG GLU 5 2HG GLU 5 -2.073 1.815 6.699 31 H ASP 6 H ASP 6 3.177 -0.612 6.328 32 HA ASP 6 HA ASP 6 3.138 -2.246 4.028 33 1HB ASP 6 1HB ASP 6 4.805 -2.012 6.530 34 2HB ASP 6 2HB ASP 6 4.932 -3.499 5.613 35 H ARG 7 H ARG 7 1.559 -3.862 3.882 36 HA ARG 7 HA ARG 7 1.572 -5.918 5.774 37 1HB ARG 7 1HB ARG 7 -0.306 -3.751 6.253 38 2HB ARG 7 2HB ARG 7 -1.211 -5.190 5.828 39 1HG ARG 7 1HG ARG 7 -0.285 -6.457 7.637 40 2HG ARG 7 2HG ARG 7 1.036 -5.330 7.869 41 1HD ARG 7 1HD ARG 7 -1.855 -4.461 8.266 42 2HD ARG 7 2HD ARG 7 -0.961 -5.242 9.555 43 HE ARG 7 HE ARG 7 -0.406 -2.563 8.401 44 1HH1 ARG 7 1HH1 ARG 7 0.717 -1.154 9.824 45 2HH1 ARG 7 2HH1 ARG 7 1.743 -1.823 11.050 46 1HH2 ARG 7 1HH2 ARG 7 0.781 -5.158 10.451 47 2HH2 ARG 7 2HH2 ARG 7 1.698 -4.105 11.477 48 H TYR 8 H TYR 8 -1.104 -4.436 3.797 49 HA TYR 8 HA TYR 8 -2.289 -6.423 2.653 50 1HB TYR 8 1HB TYR 8 -1.528 -3.739 1.964 51 2HB TYR 8 2HB TYR 8 -1.174 -4.680 0.528 52 HD1 TYR 8 1HD TYR 8 -3.609 -2.731 2.024 53 HD2 TYR 8 2HD TYR 8 -3.191 -6.454 -0.042 54 HE1 TYR 8 1HE TYR 8 -6.060 -2.642 1.353 55 HE2 TYR 8 2HE TYR 8 -5.643 -6.352 -0.707 56 HH TYR 8 HH TYR 8 -7.721 -3.732 0.465 57 H TYR 9 H TYR 9 -1.509 -8.444 2.205 58 HA TYR 9 HA TYR 9 0.984 -9.169 1.480 59 1HB TYR 9 1HB TYR 9 -0.653 -10.882 0.017 60 2HB TYR 9 2HB TYR 9 -0.432 -11.018 1.750 61 HD1 TYR 9 1HD TYR 9 -2.773 -10.365 -0.907 62 HD2 TYR 9 2HD TYR 9 -2.109 -9.849 3.288 63 HE1 TYR 9 1HE TYR 9 -5.261 -9.979 -0.553 64 HE2 TYR 9 2HE TYR 9 -4.599 -9.465 3.628 65 HH TYR 9 HH TYR 9 -6.669 -10.017 2.532 66 H ARG 10 H ARG 10 2.258 -8.216 -0.054 67 HA ARG 10 HA ARG 10 1.070 -7.280 -2.456 68 1HB ARG 10 1HB ARG 10 3.954 -7.422 -1.457 69 2HB ARG 10 2HB ARG 10 3.543 -6.770 -3.031 70 1HG ARG 10 1HG ARG 10 3.352 -4.785 -1.904 71 2HG ARG 10 2HG ARG 10 1.761 -5.384 -1.475 72 1HD ARG 10 1HD ARG 10 2.393 -5.931 0.709 73 2HD ARG 10 2HD ARG 10 4.059 -6.249 0.269 74 HE ARG 10 HE ARG 10 4.502 -3.863 0.262 75 1HH1 ARG 10 1HH1 ARG 10 4.236 -2.005 1.603 76 2HH1 ARG 10 2HH1 ARG 10 2.632 -1.543 2.064 77 1HH2 ARG 10 1HH2 ARG 10 0.942 -3.157 2.024 78 2HH2 ARG 10 2HH2 ARG 10 1.142 -4.556 1.021 79 H GLU 11 H GLU 11 0.420 -8.869 -3.910 80 HA GLU 11 HA GLU 11 2.350 -11.002 -4.394 81 1HB GLU 11 1HB GLU 11 -0.328 -11.474 -5.491 82 2HB GLU 11 2HB GLU 11 0.636 -12.488 -4.435 83 1HG GLU 11 1HG GLU 11 -0.638 -10.007 -3.271 84 2HG GLU 11 2HG GLU 11 -1.660 -11.394 -3.591 85 H ASN 12 H ASN 12 -0.307 -9.197 -6.119 86 HA ASN 12 HA ASN 12 1.204 -8.004 -7.982 87 1HB ASN 12 1HB ASN 12 2.102 -9.913 -9.025 88 2HB ASN 12 2HB ASN 12 0.708 -10.907 -8.647 89 1HD2 ASN 12 1HD2 ASN 12 -0.181 -10.717 -11.994 90 2HD2 ASN 12 2HD2 ASN 12 -0.004 -11.627 -10.531 91 H MET 13 H MET 13 -1.432 -10.442 -8.607 92 HA MET 13 HA MET 13 -3.051 -8.656 -9.941 93 1HB MET 13 1HB MET 13 -3.714 -11.223 -8.395 94 2HB MET 13 2HB MET 13 -4.833 -10.445 -9.497 95 1HG MET 13 1HG MET 13 -3.250 -10.754 -11.381 96 2HG MET 13 2HG MET 13 -2.052 -11.432 -10.297 97 1HE MET 13 1HE MET 13 -5.912 -11.986 -11.390 98 2HE MET 13 2HE MET 13 -4.688 -11.994 -12.682 99 3HE MET 13 3HE MET 13 -5.542 -13.496 -12.257 100 H TYR 14 H TYR 14 -5.660 -9.059 -8.745 101 HA TYR 14 HA TYR 14 -5.707 -6.847 -7.008 102 1HB TYR 14 1HB TYR 14 -7.533 -7.720 -8.567 103 2HB TYR 14 2HB TYR 14 -7.675 -9.153 -7.569 104 HD1 TYR 14 1HD TYR 14 -10.113 -7.817 -8.030 105 HD2 TYR 14 2HD TYR 14 -7.092 -6.813 -5.171 106 HE1 TYR 14 1HE TYR 14 -11.852 -6.645 -6.593 107 HE2 TYR 14 2HE TYR 14 -8.842 -5.645 -3.744 108 HH TYR 14 HH TYR 14 -12.249 -5.585 -4.759 109 H ARG 15 H ARG 15 -4.075 -7.555 -5.373 110 HA ARG 15 HA ARG 15 -5.444 -9.137 -3.359 111 1HB ARG 15 1HB ARG 15 -2.653 -9.499 -4.466 112 2HB ARG 15 2HB ARG 15 -2.906 -9.825 -2.763 113 1HG ARG 15 1HG ARG 15 -4.860 -11.014 -4.731 114 2HG ARG 15 2HG ARG 15 -3.262 -11.727 -4.630 115 1HD ARG 15 1HD ARG 15 -3.547 -12.057 -2.173 116 2HD ARG 15 2HD ARG 15 -5.127 -11.303 -2.244 117 HE ARG 15 HE ARG 15 -5.968 -13.203 -3.491 118 1HH1 ARG 15 1HH1 ARG 15 -2.560 -13.555 -2.683 119 2HH1 ARG 15 2HH1 ARG 15 -2.635 -15.282 -2.580 120 1HH2 ARG 15 1HH2 ARG 15 -5.990 -15.486 -3.639 121 2HH2 ARG 15 2HH2 ARG 15 -4.524 -16.378 -3.404 122 H TYR 16 H TYR 16 -3.948 -6.251 -4.323 123 HA TYR 16 HA TYR 16 -4.176 -5.054 -1.815 124 1HB TYR 16 1HB TYR 16 -1.961 -5.176 -1.002 125 2HB TYR 16 2HB TYR 16 -1.968 -6.680 -1.903 126 HD1 TYR 16 1HD TYR 16 -0.433 -3.459 -1.537 127 HD2 TYR 16 2HD TYR 16 -1.091 -6.636 -4.327 128 HE1 TYR 16 1HE TYR 16 1.512 -2.631 -2.950 129 HE2 TYR 16 2HE TYR 16 0.857 -5.797 -5.730 130 HH TYR 16 HH TYR 16 2.289 -2.739 -5.179 131 HA PRO 17 HA PRO 17 -3.918 -1.696 -4.604 132 1HB PRO 17 1HB PRO 17 -3.796 0.382 -2.742 133 2HB PRO 17 2HB PRO 17 -5.282 -0.421 -3.207 134 1HG PRO 17 1HG PRO 17 -3.755 -0.662 -0.688 135 2HG PRO 17 2HG PRO 17 -5.420 -1.105 -1.009 136 1HD PRO 17 1HD PRO 17 -3.181 -2.886 -0.795 137 2HD PRO 17 2HD PRO 17 -4.824 -3.314 -1.230 138 H ASN 18 H ASN 18 -1.995 -0.264 -1.954 139 HA ASN 18 HA ASN 18 0.444 -0.875 -3.219 140 1HB ASN 18 1HB ASN 18 0.593 1.955 -3.308 141 2HB ASN 18 2HB ASN 18 0.560 0.874 -4.686 142 1HD2 ASN 18 1HD2 ASN 18 -2.527 1.893 -5.838 143 2HD2 ASN 18 2HD2 ASN 18 -0.994 1.127 -6.092 144 H GLN 19 H GLN 19 -0.763 2.167 -1.623 145 HA GLN 19 HA GLN 19 -0.367 3.086 0.303 146 1HB GLN 19 1HB GLN 19 0.470 0.480 1.583 147 2HB GLN 19 2HB GLN 19 -0.467 1.793 2.269 148 1HG GLN 19 1HG GLN 19 -2.187 1.136 0.310 149 2HG GLN 19 2HG GLN 19 -1.360 -0.406 0.404 150 1HE2 GLN 19 1HE2 GLN 19 -2.357 -1.161 3.762 151 2HE2 GLN 19 2HE2 GLN 19 -0.985 -1.208 2.705 152 H VAL 20 H VAL 20 1.740 3.055 -1.611 153 HA VAL 20 HA VAL 20 4.006 3.299 0.209 154 HB VAL 20 HB VAL 20 5.418 2.294 -1.672 155 1HG1 VAL 20 1HG1 VAL 20 3.573 0.440 -0.127 156 2HG1 VAL 20 2HG1 VAL 20 5.182 0.044 -0.777 157 3HG1 VAL 20 3HG1 VAL 20 5.021 1.235 0.535 158 1HG2 VAL 20 1HG2 VAL 20 4.021 0.413 -2.849 159 2HG2 VAL 20 2HG2 VAL 20 2.651 1.510 -2.552 160 3HG2 VAL 20 3HG2 VAL 20 4.039 2.061 -3.520 161 H TYR 21 H TYR 21 3.536 5.582 0.081 162 HA TYR 21 HA TYR 21 4.981 6.923 -1.861 163 1HB TYR 21 1HB TYR 21 2.667 8.007 -2.793 164 2HB TYR 21 2HB TYR 21 3.346 6.579 -3.548 165 HD1 TYR 21 1HD TYR 21 1.558 6.776 -0.274 166 HD2 TYR 21 2HD TYR 21 1.432 5.459 -4.343 167 HE1 TYR 21 1HE TYR 21 -0.589 5.498 0.198 168 HE2 TYR 21 2HE TYR 21 -0.714 4.186 -3.857 169 HH TYR 21 HH TYR 21 -2.023 3.415 -2.256 170 H TYR 22 H TYR 22 4.274 9.409 -1.874 171 HA TYR 22 HA TYR 22 3.813 10.044 0.937 172 1HB TYR 22 1HB TYR 22 4.522 12.373 -0.249 173 2HB TYR 22 2HB TYR 22 5.742 11.168 0.112 174 HD1 TYR 22 1HD TYR 22 3.275 11.824 -2.654 175 HD2 TYR 22 2HD TYR 22 7.283 10.792 -1.570 176 HE1 TYR 22 1HE TYR 22 3.925 11.737 -5.110 177 HE2 TYR 22 2HE TYR 22 7.919 10.708 -4.030 178 HH TYR 22 HH TYR 22 6.262 12.093 -6.366 179 H ARG 23 H ARG 23 1.462 9.182 -0.250 180 HA ARG 23 HA ARG 23 0.135 11.655 -0.986 181 1HB ARG 23 1HB ARG 23 -0.162 8.830 -1.767 182 2HB ARG 23 2HB ARG 23 -1.698 9.517 -1.278 183 1HG ARG 23 1HG ARG 23 -1.815 10.373 -3.385 184 2HG ARG 23 2HG ARG 23 -0.641 11.557 -2.845 185 1HD ARG 23 1HD ARG 23 0.166 10.505 -4.914 186 2HD ARG 23 2HD ARG 23 1.219 10.048 -3.590 187 HE ARG 23 HE ARG 23 0.238 7.834 -3.583 188 1HH1 ARG 23 1HH1 ARG 23 -1.554 8.589 -7.117 189 2HH1 ARG 23 2HH1 ARG 23 -1.046 9.910 -6.119 190 1HH2 ARG 23 1HH2 ARG 23 -1.443 6.417 -6.292 191 2HH2 ARG 23 2HH2 ARG 23 -0.561 6.097 -4.836 192 HA PRO 24 HA PRO 24 -2.229 9.669 2.707 193 1HB PRO 24 1HB PRO 24 -0.711 7.950 4.302 194 2HB PRO 24 2HB PRO 24 -1.805 7.401 3.047 195 1HG PRO 24 1HG PRO 24 1.150 7.454 3.036 196 2HG PRO 24 2HG PRO 24 0.065 6.542 2.006 197 1HD PRO 24 1HD PRO 24 1.504 8.922 1.302 198 2HD PRO 24 2HD PRO 24 0.331 8.075 0.313 199 H VAL 25 H VAL 25 0.165 11.625 2.325 200 HA VAL 25 HA VAL 25 0.621 12.150 5.167 201 HB VAL 25 HB VAL 25 2.405 13.616 4.385 202 1HG1 VAL 25 1HG1 VAL 25 3.911 11.889 3.478 203 2HG1 VAL 25 2HG1 VAL 25 2.918 11.262 4.816 204 3HG1 VAL 25 3HG1 VAL 25 2.508 10.850 3.134 205 1HG2 VAL 25 1HG2 VAL 25 1.411 12.834 1.634 206 2HG2 VAL 25 2HG2 VAL 25 1.606 14.465 2.318 207 3HG2 VAL 25 3HG2 VAL 25 3.041 13.488 1.922 208 H CYS 26 H CYS 26 -1.330 13.043 2.468 209 HA CYS 26 HA CYS 26 -1.598 15.776 2.946 210 1HB CYS 26 1HB CYS 26 -3.773 13.989 1.832 211 2HB CYS 26 2HB CYS 26 -3.501 15.691 1.511 212 HG CYS 26 HG CYS 26 -2.082 12.994 0.409 Start of MODEL 19 1 1H GLY 1 HN1 GLY 1 5.561 11.200 3.067 2 2H GLY 1 HN2 GLY 1 5.544 11.331 1.416 3 3H GLY 1 HN3 GLY 1 6.984 11.342 2.233 4 1HA GLY 1 1HA GLY 1 5.159 9.114 1.776 5 2HA GLY 1 2HA GLY 1 6.849 9.239 1.327 6 H ASN 2 H ASN 2 6.294 10.668 4.407 7 HA ASN 2 HA ASN 2 7.836 8.703 5.663 8 1HB ASN 2 1HB ASN 2 7.383 10.031 7.733 9 2HB ASN 2 2HB ASN 2 7.826 11.077 6.399 10 1HD2 ASN 2 1HD2 ASN 2 5.376 10.100 8.608 11 2HD2 ASN 2 2HD2 ASN 2 4.101 11.166 8.118 12 H ASP 3 H ASP 3 4.465 9.016 4.905 13 HA ASP 3 HA ASP 3 3.714 7.264 7.092 14 1HB ASP 3 1HB ASP 3 2.201 9.068 5.185 15 2HB ASP 3 2HB ASP 3 1.349 7.753 5.968 16 H TYR 4 H TYR 4 2.554 5.238 6.581 17 HA TYR 4 HA TYR 4 2.024 4.457 3.922 18 1HB TYR 4 1HB TYR 4 3.882 2.590 4.097 19 2HB TYR 4 2HB TYR 4 4.424 4.203 3.679 20 HD1 TYR 4 1HD TYR 4 6.117 5.226 4.932 21 HD2 TYR 4 2HD TYR 4 3.947 1.957 6.638 22 HE1 TYR 4 1HE TYR 4 7.704 5.200 6.918 23 HE2 TYR 4 2HE TYR 4 5.541 1.942 8.618 24 HH TYR 4 HH TYR 4 7.090 3.129 9.688 25 H GLU 5 H GLU 5 2.238 1.675 4.143 26 HA GLU 5 HA GLU 5 1.336 0.829 6.680 27 1HB GLU 5 1HB GLU 5 -0.660 1.619 4.636 28 2HB GLU 5 2HB GLU 5 -0.907 0.003 5.266 29 1HG GLU 5 1HG GLU 5 -0.296 2.139 7.285 30 2HG GLU 5 2HG GLU 5 -1.858 2.239 6.497 31 H ASP 6 H ASP 6 2.975 -0.749 6.468 32 HA ASP 6 HA ASP 6 2.985 -2.362 4.107 33 1HB ASP 6 1HB ASP 6 4.626 -2.246 6.658 34 2HB ASP 6 2HB ASP 6 4.782 -3.621 5.584 35 H ARG 7 H ARG 7 1.294 -3.877 4.023 36 HA ARG 7 HA ARG 7 1.263 -5.898 5.971 37 1HB ARG 7 1HB ARG 7 -0.539 -3.659 6.374 38 2HB ARG 7 2HB ARG 7 -1.498 -5.068 5.968 39 1HG ARG 7 1HG ARG 7 -0.690 -6.319 7.826 40 2HG ARG 7 2HG ARG 7 0.719 -5.297 8.026 41 1HD ARG 7 1HD ARG 7 -2.131 -4.291 8.460 42 2HD ARG 7 2HD ARG 7 -1.147 -4.950 9.751 43 HE ARG 7 HE ARG 7 -0.841 -2.332 8.494 44 1HH1 ARG 7 1HH1 ARG 7 0.876 -0.971 9.168 45 2HH1 ARG 7 2HH1 ARG 7 1.999 -1.544 10.355 46 1HH2 ARG 7 1HH2 ARG 7 0.717 -4.802 10.470 47 2HH2 ARG 7 2HH2 ARG 7 2.160 -3.871 10.699 48 H TYR 8 H TYR 8 -1.236 -4.332 3.823 49 HA TYR 8 HA TYR 8 -2.543 -6.299 2.755 50 1HB TYR 8 1HB TYR 8 -1.550 -3.720 1.951 51 2HB TYR 8 2HB TYR 8 -1.246 -4.767 0.579 52 HD1 TYR 8 1HD TYR 8 -3.589 -2.616 2.039 53 HD2 TYR 8 2HD TYR 8 -3.342 -6.326 -0.078 54 HE1 TYR 8 1HE TYR 8 -6.010 -2.366 1.303 55 HE2 TYR 8 2HE TYR 8 -5.764 -6.063 -0.807 56 HH TYR 8 HH TYR 8 -7.637 -3.199 0.162 57 H TYR 9 H TYR 9 -1.987 -8.380 2.315 58 HA TYR 9 HA TYR 9 0.473 -9.368 1.793 59 1HB TYR 9 1HB TYR 9 -1.175 -10.979 0.275 60 2HB TYR 9 2HB TYR 9 -1.187 -11.023 2.027 61 HD1 TYR 9 1HD TYR 9 -3.106 -10.350 -0.936 62 HD2 TYR 9 2HD TYR 9 -2.900 -9.566 3.265 63 HE1 TYR 9 1HE TYR 9 -5.564 -9.700 -0.929 64 HE2 TYR 9 2HE TYR 9 -5.359 -8.919 3.258 65 HH TYR 9 HH TYR 9 -7.015 -8.167 1.782 66 H ARG 10 H ARG 10 1.936 -8.553 0.347 67 HA ARG 10 HA ARG 10 1.010 -7.586 -2.160 68 1HB ARG 10 1HB ARG 10 3.807 -7.938 -0.974 69 2HB ARG 10 2HB ARG 10 3.526 -7.237 -2.555 70 1HG ARG 10 1HG ARG 10 3.375 -5.248 -1.443 71 2HG ARG 10 2HG ARG 10 1.759 -5.772 -1.015 72 1HD ARG 10 1HD ARG 10 2.355 -6.318 1.170 73 2HD ARG 10 2HD ARG 10 3.987 -6.781 0.730 74 HE ARG 10 HE ARG 10 4.670 -4.599 1.181 75 1HH1 ARG 10 1HH1 ARG 10 4.449 -2.347 1.510 76 2HH1 ARG 10 2HH1 ARG 10 2.880 -1.616 1.453 77 1HH2 ARG 10 1HH2 ARG 10 1.023 -2.897 0.904 78 2HH2 ARG 10 2HH2 ARG 10 1.201 -4.592 0.598 79 H GLU 11 H GLU 11 0.364 -9.152 -3.637 80 HA GLU 11 HA GLU 11 2.170 -11.424 -3.934 81 1HB GLU 11 1HB GLU 11 -0.432 -11.819 -5.188 82 2HB GLU 11 2HB GLU 11 0.371 -12.797 -3.976 83 1HG GLU 11 1HG GLU 11 -0.863 -10.172 -3.123 84 2HG GLU 11 2HG GLU 11 -1.924 -11.533 -3.431 85 H ASN 12 H ASN 12 -0.256 -9.484 -5.841 86 HA ASN 12 HA ASN 12 1.443 -8.468 -7.651 87 1HB ASN 12 1HB ASN 12 2.210 -10.522 -8.554 88 2HB ASN 12 2HB ASN 12 0.667 -11.320 -8.317 89 1HD2 ASN 12 1HD2 ASN 12 0.006 -11.018 -11.696 90 2HD2 ASN 12 2HD2 ASN 12 -0.085 -11.907 -10.212 91 H MET 13 H MET 13 -1.347 -10.682 -8.406 92 HA MET 13 HA MET 13 -2.741 -8.786 -9.830 93 1HB MET 13 1HB MET 13 -3.840 -11.186 -8.261 94 2HB MET 13 2HB MET 13 -4.636 -10.411 -9.617 95 1HG MET 13 1HG MET 13 -2.416 -10.963 -10.936 96 2HG MET 13 2HG MET 13 -2.105 -12.091 -9.632 97 1HE MET 13 1HE MET 13 -4.035 -10.935 -12.471 98 2HE MET 13 2HE MET 13 -3.431 -12.441 -13.203 99 3HE MET 13 3HE MET 13 -5.176 -12.223 -12.928 100 H TYR 14 H TYR 14 -5.395 -8.742 -8.909 101 HA TYR 14 HA TYR 14 -5.343 -6.585 -7.151 102 1HB TYR 14 1HB TYR 14 -7.137 -7.367 -8.831 103 2HB TYR 14 2HB TYR 14 -7.520 -8.686 -7.744 104 HD1 TYR 14 1HD TYR 14 -9.742 -7.121 -8.469 105 HD2 TYR 14 2HD TYR 14 -6.797 -6.233 -5.496 106 HE1 TYR 14 1HE TYR 14 -11.408 -5.636 -7.253 107 HE2 TYR 14 2HE TYR 14 -8.473 -4.751 -4.289 108 HH TYR 14 HH TYR 14 -11.737 -4.272 -5.613 109 H ARG 15 H ARG 15 -3.901 -7.409 -5.402 110 HA ARG 15 HA ARG 15 -5.534 -8.838 -3.472 111 1HB ARG 15 1HB ARG 15 -2.707 -9.426 -4.369 112 2HB ARG 15 2HB ARG 15 -3.105 -9.704 -2.685 113 1HG ARG 15 1HG ARG 15 -5.014 -10.773 -4.757 114 2HG ARG 15 2HG ARG 15 -3.477 -11.594 -4.577 115 1HD ARG 15 1HD ARG 15 -3.918 -11.819 -2.101 116 2HD ARG 15 2HD ARG 15 -5.483 -11.065 -2.330 117 HE ARG 15 HE ARG 15 -6.166 -12.989 -3.700 118 1HH1 ARG 15 1HH1 ARG 15 -2.986 -13.362 -2.258 119 2HH1 ARG 15 2HH1 ARG 15 -3.060 -15.092 -2.228 120 1HH2 ARG 15 1HH2 ARG 15 -6.386 -15.268 -3.354 121 2HH2 ARG 15 2HH2 ARG 15 -4.948 -16.184 -3.048 122 H TYR 16 H TYR 16 -3.831 -6.064 -4.346 123 HA TYR 16 HA TYR 16 -4.114 -4.842 -1.859 124 1HB TYR 16 1HB TYR 16 -1.965 -5.103 -0.921 125 2HB TYR 16 2HB TYR 16 -1.994 -6.594 -1.841 126 HD1 TYR 16 1HD TYR 16 -0.260 -3.534 -1.280 127 HD2 TYR 16 2HD TYR 16 -1.039 -6.494 -4.270 128 HE1 TYR 16 1HE TYR 16 1.803 -2.790 -2.565 129 HE2 TYR 16 2HE TYR 16 1.027 -5.740 -5.545 130 HH TYR 16 HH TYR 16 3.175 -3.273 -4.198 131 HA PRO 17 HA PRO 17 -3.497 -1.508 -4.617 132 1HB PRO 17 1HB PRO 17 -3.262 0.558 -2.752 133 2HB PRO 17 2HB PRO 17 -4.794 -0.128 -3.256 134 1HG PRO 17 1HG PRO 17 -3.357 -0.483 -0.697 135 2HG PRO 17 2HG PRO 17 -5.042 -0.795 -1.063 136 1HD PRO 17 1HD PRO 17 -2.956 -2.744 -0.790 137 2HD PRO 17 2HD PRO 17 -4.615 -3.044 -1.269 138 H ASN 18 H ASN 18 -1.563 -0.132 -1.963 139 HA ASN 18 HA ASN 18 0.870 -0.978 -3.101 140 1HB ASN 18 1HB ASN 18 1.078 1.901 -3.265 141 2HB ASN 18 2HB ASN 18 1.306 0.732 -4.550 142 1HD2 ASN 18 1HD2 ASN 18 -1.585 1.522 -6.256 143 2HD2 ASN 18 2HD2 ASN 18 -0.083 0.665 -6.163 144 H GLN 19 H GLN 19 -0.275 2.163 -1.642 145 HA GLN 19 HA GLN 19 0.045 3.098 0.293 146 1HB GLN 19 1HB GLN 19 0.986 0.522 1.574 147 2HB GLN 19 2HB GLN 19 0.056 1.824 2.288 148 1HG GLN 19 1HG GLN 19 -1.576 0.995 0.171 149 2HG GLN 19 2HG GLN 19 -0.874 -0.511 0.727 150 1HE2 GLN 19 1HE2 GLN 19 -2.510 -0.655 3.813 151 2HE2 GLN 19 2HE2 GLN 19 -1.115 -1.145 2.911 152 H VAL 20 H VAL 20 2.107 3.270 -1.584 153 HA VAL 20 HA VAL 20 4.383 3.577 0.201 154 HB VAL 20 HB VAL 20 5.865 2.615 -1.584 155 1HG1 VAL 20 1HG1 VAL 20 3.906 0.778 -0.170 156 2HG1 VAL 20 2HG1 VAL 20 5.430 0.247 -0.920 157 3HG1 VAL 20 3HG1 VAL 20 5.461 1.380 0.452 158 1HG2 VAL 20 1HG2 VAL 20 4.465 0.765 -2.918 159 2HG2 VAL 20 2HG2 VAL 20 3.197 2.007 -2.777 160 3HG2 VAL 20 3HG2 VAL 20 4.745 2.400 -3.563 161 H TYR 21 H TYR 21 3.626 5.827 0.035 162 HA TYR 21 HA TYR 21 5.053 7.264 -1.874 163 1HB TYR 21 1HB TYR 21 2.666 8.175 -2.833 164 2HB TYR 21 2HB TYR 21 3.481 6.822 -3.592 165 HD1 TYR 21 1HD TYR 21 1.600 6.854 -0.360 166 HD2 TYR 21 2HD TYR 21 1.713 5.515 -4.422 167 HE1 TYR 21 1HE TYR 21 -0.434 5.387 0.059 168 HE2 TYR 21 2HE TYR 21 -0.321 4.053 -3.989 169 HH TYR 21 HH TYR 21 -1.741 3.335 -2.533 170 H TYR 22 H TYR 22 3.857 9.677 -2.000 171 HA TYR 22 HA TYR 22 3.519 10.328 0.831 172 1HB TYR 22 1HB TYR 22 3.827 12.698 -0.395 173 2HB TYR 22 2HB TYR 22 5.225 11.662 -0.187 174 HD1 TYR 22 1HD TYR 22 2.457 12.243 -2.659 175 HD2 TYR 22 2HD TYR 22 6.574 11.263 -2.035 176 HE1 TYR 22 1HE TYR 22 2.848 12.256 -5.171 177 HE2 TYR 22 2HE TYR 22 6.952 11.280 -4.549 178 HH TYR 22 HH TYR 22 4.261 11.593 -6.773 179 H ARG 23 H ARG 23 1.254 9.093 -0.163 180 HA ARG 23 HA ARG 23 -0.472 11.329 -0.839 181 1HB ARG 23 1HB ARG 23 -0.384 8.484 -1.613 182 2HB ARG 23 2HB ARG 23 -1.978 8.946 -1.049 183 1HG ARG 23 1HG ARG 23 -2.336 9.802 -3.124 184 2HG ARG 23 2HG ARG 23 -1.254 11.105 -2.675 185 1HD ARG 23 1HD ARG 23 -0.439 10.167 -4.765 186 2HD ARG 23 2HD ARG 23 0.696 9.714 -3.510 187 HE ARG 23 HE ARG 23 -0.181 7.454 -3.547 188 1HH1 ARG 23 1HH1 ARG 23 -2.118 8.248 -6.995 189 2HH1 ARG 23 2HH1 ARG 23 -1.527 9.557 -6.027 190 1HH2 ARG 23 1HH2 ARG 23 -1.845 6.057 -6.276 191 2HH2 ARG 23 2HH2 ARG 23 -1.120 5.737 -4.736 192 HA PRO 24 HA PRO 24 -2.334 9.015 2.944 193 1HB PRO 24 1HB PRO 24 -0.545 7.434 4.395 194 2HB PRO 24 2HB PRO 24 -1.647 6.800 3.189 195 1HG PRO 24 1HG PRO 24 1.279 7.178 3.009 196 2HG PRO 24 2HG PRO 24 0.238 6.178 2.015 197 1HD PRO 24 1HD PRO 24 1.365 8.718 1.304 198 2HD PRO 24 2HD PRO 24 0.233 7.772 0.359 199 H VAL 25 H VAL 25 0.108 11.073 2.506 200 HA VAL 25 HA VAL 25 0.688 11.595 5.286 201 HB VAL 25 HB VAL 25 2.071 13.394 4.383 202 1HG1 VAL 25 1HG1 VAL 25 3.627 11.964 3.016 203 2HG1 VAL 25 2HG1 VAL 25 3.113 11.241 4.559 204 3HG1 VAL 25 3HG1 VAL 25 2.379 10.695 3.033 205 1HG2 VAL 25 1HG2 VAL 25 0.668 12.684 1.817 206 2HG2 VAL 25 2HG2 VAL 25 0.999 14.283 2.526 207 3HG2 VAL 25 3HG2 VAL 25 2.318 13.351 1.779 208 H CYS 26 H CYS 26 -1.753 12.350 2.957 209 HA CYS 26 HA CYS 26 -2.362 14.945 3.906 210 1HB CYS 26 1HB CYS 26 -3.741 12.953 2.122 211 2HB CYS 26 2HB CYS 26 -4.628 14.344 2.713 212 HG CYS 26 HG CYS 26 -2.054 14.058 0.730 Start of MODEL 20 1 1H GLY 1 HN1 GLY 1 6.274 11.014 3.446 2 2H GLY 1 HN2 GLY 1 5.030 10.702 2.399 3 3H GLY 1 HN3 GLY 1 6.506 11.170 1.814 4 1HA GLY 1 1HA GLY 1 5.672 8.662 1.962 5 2HA GLY 1 2HA GLY 1 7.347 9.163 1.857 6 H ASN 2 H ASN 2 6.252 10.485 4.729 7 HA ASN 2 HA ASN 2 7.685 8.586 6.231 8 1HB ASN 2 1HB ASN 2 6.589 10.042 8.180 9 2HB ASN 2 2HB ASN 2 7.829 10.743 7.159 10 1HD2 ASN 2 1HD2 ASN 2 4.485 10.688 8.027 11 2HD2 ASN 2 2HD2 ASN 2 3.978 12.102 7.165 12 H ASP 3 H ASP 3 4.328 9.111 5.282 13 HA ASP 3 HA ASP 3 3.424 7.278 7.342 14 1HB ASP 3 1HB ASP 3 1.931 9.111 5.411 15 2HB ASP 3 2HB ASP 3 1.115 7.975 6.467 16 H TYR 4 H TYR 4 2.253 5.325 6.701 17 HA TYR 4 HA TYR 4 1.654 4.749 4.004 18 1HB TYR 4 1HB TYR 4 3.466 2.814 4.039 19 2HB TYR 4 2HB TYR 4 4.026 4.433 3.673 20 HD1 TYR 4 1HD TYR 4 5.727 5.425 4.959 21 HD2 TYR 4 2HD TYR 4 3.646 2.020 6.502 22 HE1 TYR 4 1HE TYR 4 7.374 5.285 6.892 23 HE2 TYR 4 2HE TYR 4 5.299 1.892 8.429 24 HH TYR 4 HH TYR 4 7.648 2.585 8.833 25 H GLU 5 H GLU 5 2.138 1.852 4.253 26 HA GLU 5 HA GLU 5 1.078 0.956 6.678 27 1HB GLU 5 1HB GLU 5 -0.858 1.819 4.649 28 2HB GLU 5 2HB GLU 5 -1.064 0.124 5.044 29 1HG GLU 5 1HG GLU 5 -0.848 2.317 7.157 30 2HG GLU 5 2HG GLU 5 -2.377 1.754 6.512 31 H ASP 6 H ASP 6 3.055 -0.312 6.190 32 HA ASP 6 HA ASP 6 3.071 -1.968 3.915 33 1HB ASP 6 1HB ASP 6 4.695 -1.745 6.459 34 2HB ASP 6 2HB ASP 6 4.904 -3.163 5.451 35 H ARG 7 H ARG 7 1.397 -3.516 3.812 36 HA ARG 7 HA ARG 7 1.487 -5.596 5.715 37 1HB ARG 7 1HB ARG 7 -0.479 -3.468 6.078 38 2HB ARG 7 2HB ARG 7 -1.307 -4.970 5.716 39 1HG ARG 7 1HG ARG 7 -0.487 -6.056 7.633 40 2HG ARG 7 2HG ARG 7 0.938 -5.041 7.733 41 1HD ARG 7 1HD ARG 7 -1.893 -4.015 8.252 42 2HD ARG 7 2HD ARG 7 -0.825 -4.583 9.520 43 HE ARG 7 HE ARG 7 -0.529 -2.090 7.956 44 1HH1 ARG 7 1HH1 ARG 7 0.943 -0.550 8.792 45 2HH1 ARG 7 2HH1 ARG 7 2.169 -1.053 9.907 46 1HH2 ARG 7 1HH2 ARG 7 0.908 -4.325 10.263 47 2HH2 ARG 7 2HH2 ARG 7 2.097 -3.192 10.814 48 H TYR 8 H TYR 8 -1.290 -4.308 3.761 49 HA TYR 8 HA TYR 8 -2.382 -6.275 2.594 50 1HB TYR 8 1HB TYR 8 -1.545 -3.629 1.805 51 2HB TYR 8 2HB TYR 8 -1.219 -4.649 0.418 52 HD1 TYR 8 1HD TYR 8 -3.614 -2.591 1.877 53 HD2 TYR 8 2HD TYR 8 -3.269 -6.354 -0.129 54 HE1 TYR 8 1HE TYR 8 -6.061 -2.463 1.200 55 HE2 TYR 8 2HE TYR 8 -5.717 -6.213 -0.799 56 HH TYR 8 HH TYR 8 -7.745 -3.539 0.334 57 H TYR 9 H TYR 9 -1.698 -8.309 2.117 58 HA TYR 9 HA TYR 9 0.838 -9.100 1.551 59 1HB TYR 9 1HB TYR 9 -0.799 -10.802 0.052 60 2HB TYR 9 2HB TYR 9 -0.602 -10.930 1.789 61 HD1 TYR 9 1HD TYR 9 -2.894 -10.230 -0.904 62 HD2 TYR 9 2HD TYR 9 -2.278 -9.739 3.301 63 HE1 TYR 9 1HE TYR 9 -5.378 -9.795 -0.584 64 HE2 TYR 9 2HE TYR 9 -4.764 -9.306 3.607 65 HH TYR 9 HH TYR 9 -6.759 -9.516 2.630 66 H ARG 10 H ARG 10 2.239 -8.460 -0.008 67 HA ARG 10 HA ARG 10 1.179 -7.416 -2.439 68 1HB ARG 10 1HB ARG 10 4.038 -7.819 -1.432 69 2HB ARG 10 2HB ARG 10 3.662 -7.073 -2.973 70 1HG ARG 10 1HG ARG 10 3.722 -5.144 -1.710 71 2HG ARG 10 2HG ARG 10 2.047 -5.562 -1.411 72 1HD ARG 10 1HD ARG 10 2.477 -6.339 0.766 73 2HD ARG 10 2HD ARG 10 4.140 -6.760 0.406 74 HE ARG 10 HE ARG 10 4.787 -4.581 0.962 75 1HH1 ARG 10 1HH1 ARG 10 4.489 -2.297 1.200 76 2HH1 ARG 10 2HH1 ARG 10 2.902 -1.724 1.594 77 1HH2 ARG 10 1HH2 ARG 10 1.066 -3.029 0.891 78 2HH2 ARG 10 2HH2 ARG 10 1.281 -4.747 0.865 79 H GLU 11 H GLU 11 0.432 -8.957 -3.895 80 HA GLU 11 HA GLU 11 2.184 -11.253 -4.309 81 1HB GLU 11 1HB GLU 11 -0.504 -11.542 -5.434 82 2HB GLU 11 2HB GLU 11 0.359 -12.599 -4.334 83 1HG GLU 11 1HG GLU 11 -0.783 -9.992 -3.293 84 2HG GLU 11 2HG GLU 11 -1.851 -11.360 -3.536 85 H ASN 12 H ASN 12 -0.303 -9.272 -6.092 86 HA ASN 12 HA ASN 12 1.284 -8.204 -7.947 87 1HB ASN 12 1HB ASN 12 2.135 -10.157 -8.942 88 2HB ASN 12 2HB ASN 12 0.704 -11.098 -8.572 89 1HD2 ASN 12 1HD2 ASN 12 -0.072 -10.957 -11.950 90 2HD2 ASN 12 2HD2 ASN 12 -0.012 -11.830 -10.454 91 H MET 13 H MET 13 -1.448 -10.550 -8.531 92 HA MET 13 HA MET 13 -2.958 -8.710 -9.951 93 1HB MET 13 1HB MET 13 -3.935 -11.160 -8.382 94 2HB MET 13 2HB MET 13 -4.740 -10.435 -9.759 95 1HG MET 13 1HG MET 13 -2.587 -10.929 -11.109 96 2HG MET 13 2HG MET 13 -2.065 -11.900 -9.747 97 1HE MET 13 1HE MET 13 -2.147 -13.719 -12.164 98 2HE MET 13 2HE MET 13 -1.952 -14.115 -10.439 99 3HE MET 13 3HE MET 13 -3.110 -15.028 -11.436 100 H TYR 14 H TYR 14 -5.602 -8.938 -8.883 101 HA TYR 14 HA TYR 14 -5.621 -6.756 -7.130 102 1HB TYR 14 1HB TYR 14 -7.428 -7.605 -8.743 103 2HB TYR 14 2HB TYR 14 -7.663 -8.995 -7.703 104 HD1 TYR 14 1HD TYR 14 -10.041 -7.634 -8.241 105 HD2 TYR 14 2HD TYR 14 -7.029 -6.539 -5.406 106 HE1 TYR 14 1HE TYR 14 -11.767 -6.338 -6.897 107 HE2 TYR 14 2HE TYR 14 -8.765 -5.248 -4.072 108 HH TYR 14 HH TYR 14 -12.149 -5.121 -5.162 109 H ARG 15 H ARG 15 -4.069 -7.494 -5.441 110 HA ARG 15 HA ARG 15 -5.543 -9.010 -3.454 111 1HB ARG 15 1HB ARG 15 -2.780 -9.540 -4.536 112 2HB ARG 15 2HB ARG 15 -3.013 -9.773 -2.815 113 1HG ARG 15 1HG ARG 15 -5.031 -10.968 -4.724 114 2HG ARG 15 2HG ARG 15 -3.477 -11.758 -4.544 115 1HD ARG 15 1HD ARG 15 -3.814 -11.992 -2.115 116 2HD ARG 15 2HD ARG 15 -5.286 -11.043 -2.186 117 HE ARG 15 HE ARG 15 -6.325 -12.866 -3.506 118 1HH1 ARG 15 1HH1 ARG 15 -3.333 -13.606 -1.809 119 2HH1 ARG 15 2HH1 ARG 15 -3.590 -15.319 -1.839 120 1HH2 ARG 15 1HH2 ARG 15 -6.605 -15.134 -3.649 121 2HH2 ARG 15 2HH2 ARG 15 -5.504 -16.188 -2.825 122 H TYR 16 H TYR 16 -3.955 -6.187 -4.399 123 HA TYR 16 HA TYR 16 -4.155 -4.975 -1.901 124 1HB TYR 16 1HB TYR 16 -1.966 -5.192 -1.051 125 2HB TYR 16 2HB TYR 16 -2.000 -6.683 -1.972 126 HD1 TYR 16 1HD TYR 16 -0.391 -3.502 -1.545 127 HD2 TYR 16 2HD TYR 16 -1.066 -6.644 -4.369 128 HE1 TYR 16 1HE TYR 16 1.602 -2.712 -2.910 129 HE2 TYR 16 2HE TYR 16 0.931 -5.844 -5.725 130 HH TYR 16 HH TYR 16 2.845 -3.051 -4.637 131 HA PRO 17 HA PRO 17 -3.751 -1.657 -4.724 132 1HB PRO 17 1HB PRO 17 -3.661 0.435 -2.874 133 2HB PRO 17 2HB PRO 17 -5.143 -0.345 -3.389 134 1HG PRO 17 1HG PRO 17 -3.718 -0.594 -0.811 135 2HG PRO 17 2HG PRO 17 -5.378 -1.008 -1.193 136 1HD PRO 17 1HD PRO 17 -3.183 -2.828 -0.880 137 2HD PRO 17 2HD PRO 17 -4.816 -3.230 -1.375 138 H ASN 18 H ASN 18 -1.845 -0.429 -1.931 139 HA ASN 18 HA ASN 18 0.604 -1.044 -3.096 140 1HB ASN 18 1HB ASN 18 0.935 1.723 -3.310 141 2HB ASN 18 2HB ASN 18 0.740 0.627 -4.663 142 1HD2 ASN 18 1HD2 ASN 18 -2.124 2.194 -5.759 143 2HD2 ASN 18 2HD2 ASN 18 -0.707 1.246 -6.061 144 H GLN 19 H GLN 19 -0.665 2.044 -1.629 145 HA GLN 19 HA GLN 19 -0.345 3.011 0.287 146 1HB GLN 19 1HB GLN 19 0.446 0.437 1.657 147 2HB GLN 19 2HB GLN 19 -0.517 1.762 2.278 148 1HG GLN 19 1HG GLN 19 -2.170 1.070 0.286 149 2HG GLN 19 2HG GLN 19 -1.337 -0.466 0.411 150 1HE2 GLN 19 1HE2 GLN 19 -2.345 -1.093 3.829 151 2HE2 GLN 19 2HE2 GLN 19 -0.873 -0.951 2.927 152 H VAL 20 H VAL 20 1.808 3.091 -1.488 153 HA VAL 20 HA VAL 20 4.004 3.332 0.401 154 HB VAL 20 HB VAL 20 5.518 2.303 -1.360 155 1HG1 VAL 20 1HG1 VAL 20 3.593 0.330 -0.109 156 2HG1 VAL 20 2HG1 VAL 20 5.336 0.137 -0.415 157 3HG1 VAL 20 3HG1 VAL 20 4.772 1.261 0.845 158 1HG2 VAL 20 1HG2 VAL 20 4.075 0.401 -2.584 159 2HG2 VAL 20 2HG2 VAL 20 2.841 1.683 -2.518 160 3HG2 VAL 20 3HG2 VAL 20 4.399 1.988 -3.322 161 H TYR 21 H TYR 21 3.519 5.606 0.219 162 HA TYR 21 HA TYR 21 5.030 6.938 -1.674 163 1HB TYR 21 1HB TYR 21 2.776 7.974 -2.758 164 2HB TYR 21 2HB TYR 21 3.475 6.512 -3.425 165 HD1 TYR 21 1HD TYR 21 1.555 6.820 -0.239 166 HD2 TYR 21 2HD TYR 21 1.569 5.410 -4.278 167 HE1 TYR 21 1HE TYR 21 -0.626 5.581 0.178 168 HE2 TYR 21 2HE TYR 21 -0.611 4.176 -3.848 169 HH TYR 21 HH TYR 21 -1.964 3.423 -2.247 170 H TYR 22 H TYR 22 4.195 9.416 -1.798 171 HA TYR 22 HA TYR 22 3.700 10.106 0.990 172 1HB TYR 22 1HB TYR 22 4.246 12.439 -0.264 173 2HB TYR 22 2HB TYR 22 5.546 11.319 0.095 174 HD1 TYR 22 1HD TYR 22 3.067 12.070 -2.621 175 HD2 TYR 22 2HD TYR 22 6.991 10.692 -1.619 176 HE1 TYR 22 1HE TYR 22 3.669 11.967 -5.089 177 HE2 TYR 22 2HE TYR 22 7.580 10.594 -4.090 178 HH TYR 22 HH TYR 22 5.748 10.319 -6.367 179 H ARG 23 H ARG 23 1.376 9.094 0.057 180 HA ARG 23 HA ARG 23 -0.116 11.454 -0.763 181 1HB ARG 23 1HB ARG 23 -0.311 8.559 -1.449 182 2HB ARG 23 2HB ARG 23 -1.856 9.316 -1.115 183 1HG ARG 23 1HG ARG 23 -1.783 10.007 -3.289 184 2HG ARG 23 2HG ARG 23 -0.667 11.232 -2.717 185 1HD ARG 23 1HD ARG 23 0.522 10.228 -4.503 186 2HD ARG 23 2HD ARG 23 1.202 9.439 -3.093 187 HE ARG 23 HE ARG 23 0.108 7.423 -3.687 188 1HH1 ARG 23 1HH1 ARG 23 -1.637 9.014 -6.957 189 2HH1 ARG 23 2HH1 ARG 23 -0.747 10.036 -5.878 190 1HH2 ARG 23 1HH2 ARG 23 -1.803 6.739 -6.528 191 2HH2 ARG 23 2HH2 ARG 23 -1.103 6.076 -5.088 192 HA PRO 24 HA PRO 24 -2.322 9.299 2.929 193 1HB PRO 24 1HB PRO 24 -0.722 7.594 4.458 194 2HB PRO 24 2HB PRO 24 -1.814 7.039 3.204 195 1HG PRO 24 1HG PRO 24 1.137 7.196 3.155 196 2HG PRO 24 2HG PRO 24 0.070 6.273 2.116 197 1HD PRO 24 1HD PRO 24 1.414 8.719 1.455 198 2HD PRO 24 2HD PRO 24 0.257 7.857 0.460 199 H VAL 25 H VAL 25 0.155 11.254 2.578 200 HA VAL 25 HA VAL 25 0.689 11.717 5.392 201 HB VAL 25 HB VAL 25 2.182 13.487 4.487 202 1HG1 VAL 25 1HG1 VAL 25 3.856 11.942 3.565 203 2HG1 VAL 25 2HG1 VAL 25 3.022 11.230 4.967 204 3HG1 VAL 25 3HG1 VAL 25 2.592 10.712 3.319 205 1HG2 VAL 25 1HG2 VAL 25 1.038 12.511 1.872 206 2HG2 VAL 25 2HG2 VAL 25 1.255 14.178 2.455 207 3HG2 VAL 25 3HG2 VAL 25 2.668 13.220 1.953 208 H CYS 26 H CYS 26 -1.595 12.598 2.962 209 HA CYS 26 HA CYS 26 -2.058 15.254 3.682 210 1HB CYS 26 1HB CYS 26 -4.060 13.272 2.550 211 2HB CYS 26 2HB CYS 26 -4.172 15.020 2.495 212 HG CYS 26 HG CYS 26 -1.936 12.996 1.137 Start of MODEL 21 1 1H GLY 1 HN1 GLY 1 6.105 11.001 3.432 2 2H GLY 1 HN2 GLY 1 5.223 10.823 2.041 3 3H GLY 1 HN3 GLY 1 6.828 11.225 1.959 4 1HA GLY 1 1HA GLY 1 5.668 8.711 1.978 5 2HA GLY 1 2HA GLY 1 7.357 9.137 1.789 6 H ASN 2 H ASN 2 6.326 10.570 4.667 7 HA ASN 2 HA ASN 2 7.785 8.682 6.177 8 1HB ASN 2 1HB ASN 2 7.229 10.193 8.098 9 2HB ASN 2 2HB ASN 2 7.837 11.100 6.727 10 1HD2 ASN 2 1HD2 ASN 2 5.187 10.469 8.813 11 2HD2 ASN 2 2HD2 ASN 2 4.003 11.525 8.118 12 H ASP 3 H ASP 3 4.503 9.042 5.131 13 HA ASP 3 HA ASP 3 3.600 7.331 7.311 14 1HB ASP 3 1HB ASP 3 2.165 9.373 5.576 15 2HB ASP 3 2HB ASP 3 1.261 8.126 6.411 16 H TYR 4 H TYR 4 2.300 5.446 6.687 17 HA TYR 4 HA TYR 4 1.544 4.951 4.020 18 1HB TYR 4 1HB TYR 4 3.302 2.947 3.936 19 2HB TYR 4 2HB TYR 4 3.861 4.552 3.511 20 HD1 TYR 4 1HD TYR 4 5.609 5.593 4.722 21 HD2 TYR 4 2HD TYR 4 3.716 2.104 6.319 22 HE1 TYR 4 1HE TYR 4 7.394 5.441 6.527 23 HE2 TYR 4 2HE TYR 4 5.506 1.965 8.118 24 HH TYR 4 HH TYR 4 7.287 2.843 8.953 25 H GLU 5 H GLU 5 1.839 2.068 4.092 26 HA GLU 5 HA GLU 5 0.989 1.080 6.563 27 1HB GLU 5 1HB GLU 5 -1.095 2.170 4.798 28 2HB GLU 5 2HB GLU 5 -1.367 0.475 5.153 29 1HG GLU 5 1HG GLU 5 -0.606 2.290 7.440 30 2HG GLU 5 2HG GLU 5 -2.232 2.417 6.800 31 H ASP 6 H ASP 6 2.693 -0.401 5.960 32 HA ASP 6 HA ASP 6 2.402 -1.867 3.543 33 1HB ASP 6 1HB ASP 6 4.297 -1.891 5.901 34 2HB ASP 6 2HB ASP 6 4.292 -3.268 4.818 35 H ARG 7 H ARG 7 0.687 -3.356 3.506 36 HA ARG 7 HA ARG 7 0.795 -5.494 5.342 37 1HB ARG 7 1HB ARG 7 -0.991 -3.282 5.936 38 2HB ARG 7 2HB ARG 7 -1.962 -4.682 5.528 39 1HG ARG 7 1HG ARG 7 -0.987 -6.014 7.269 40 2HG ARG 7 2HG ARG 7 0.364 -4.917 7.473 41 1HD ARG 7 1HD ARG 7 -2.476 -3.956 7.975 42 2HD ARG 7 2HD ARG 7 -1.612 -4.844 9.214 43 HE ARG 7 HE ARG 7 -1.051 -2.112 8.308 44 1HH1 ARG 7 1HH1 ARG 7 0.560 -0.934 9.422 45 2HH1 ARG 7 2HH1 ARG 7 1.652 -1.755 10.487 46 1HH2 ARG 7 1HH2 ARG 7 0.260 -4.943 9.936 47 2HH2 ARG 7 2HH2 ARG 7 1.472 -4.049 10.790 48 H TYR 8 H TYR 8 -1.829 -3.850 3.415 49 HA TYR 8 HA TYR 8 -3.187 -5.765 2.327 50 1HB TYR 8 1HB TYR 8 -2.222 -3.153 1.578 51 2HB TYR 8 2HB TYR 8 -2.015 -4.144 0.148 52 HD1 TYR 8 1HD TYR 8 -4.249 -2.055 1.861 53 HD2 TYR 8 2HD TYR 8 -4.156 -5.649 -0.458 54 HE1 TYR 8 1HE TYR 8 -6.708 -1.759 1.291 55 HE2 TYR 8 2HE TYR 8 -6.616 -5.341 -1.020 56 HH TYR 8 HH TYR 8 -8.441 -2.600 0.317 57 H TYR 9 H TYR 9 -2.708 -7.809 1.695 58 HA TYR 9 HA TYR 9 -0.255 -8.769 1.014 59 1HB TYR 9 1HB TYR 9 -2.022 -10.307 -0.471 60 2HB TYR 9 2HB TYR 9 -1.864 -10.461 1.267 61 HD1 TYR 9 1HD TYR 9 -4.065 -9.622 -1.446 62 HD2 TYR 9 2HD TYR 9 -3.451 -9.098 2.756 63 HE1 TYR 9 1HE TYR 9 -6.512 -8.996 -1.159 64 HE2 TYR 9 2HE TYR 9 -5.901 -8.474 3.028 65 HH TYR 9 HH TYR 9 -7.788 -8.133 2.046 66 H ARG 10 H ARG 10 1.101 -7.864 -0.487 67 HA ARG 10 HA ARG 10 0.020 -6.791 -2.876 68 1HB ARG 10 1HB ARG 10 2.893 -7.258 -1.937 69 2HB ARG 10 2HB ARG 10 2.497 -6.449 -3.440 70 1HG ARG 10 1HG ARG 10 2.510 -4.544 -2.174 71 2HG ARG 10 2HG ARG 10 0.900 -5.044 -1.696 72 1HD ARG 10 1HD ARG 10 1.608 -5.836 0.398 73 2HD ARG 10 2HD ARG 10 3.229 -6.194 -0.161 74 HE ARG 10 HE ARG 10 3.867 -4.020 0.406 75 1HH1 ARG 10 1HH1 ARG 10 3.562 -1.861 1.112 76 2HH1 ARG 10 2HH1 ARG 10 1.985 -1.150 1.025 77 1HH2 ARG 10 1HH2 ARG 10 0.134 -2.506 0.629 78 2HH2 ARG 10 2HH2 ARG 10 0.355 -4.192 0.299 79 H GLU 11 H GLU 11 -0.610 -8.111 -4.557 80 HA GLU 11 HA GLU 11 1.099 -10.417 -5.074 81 1HB GLU 11 1HB GLU 11 -1.506 -10.955 -6.110 82 2HB GLU 11 2HB GLU 11 -0.676 -11.781 -4.806 83 1HG GLU 11 1HG GLU 11 -1.877 -9.143 -4.076 84 2HG GLU 11 2HG GLU 11 -3.030 -10.394 -4.498 85 H ASN 12 H ASN 12 -1.585 -8.484 -6.607 86 HA ASN 12 HA ASN 12 -0.111 -7.302 -8.523 87 1HB ASN 12 1HB ASN 12 0.603 -9.283 -9.615 88 2HB ASN 12 2HB ASN 12 -0.886 -10.136 -9.263 89 1HD2 ASN 12 1HD2 ASN 12 -1.921 -9.657 -12.533 90 2HD2 ASN 12 2HD2 ASN 12 -1.646 -10.698 -11.176 91 H MET 13 H MET 13 -2.862 -9.534 -9.292 92 HA MET 13 HA MET 13 -4.457 -7.611 -10.375 93 1HB MET 13 1HB MET 13 -5.307 -10.150 -8.870 94 2HB MET 13 2HB MET 13 -6.289 -9.307 -10.051 95 1HG MET 13 1HG MET 13 -4.349 -9.685 -11.728 96 2HG MET 13 2HG MET 13 -3.663 -10.779 -10.543 97 1HE MET 13 1HE MET 13 -4.580 -11.606 -13.560 98 2HE MET 13 2HE MET 13 -3.728 -12.620 -12.371 99 3HE MET 13 3HE MET 13 -5.203 -13.225 -13.162 100 H TYR 14 H TYR 14 -6.955 -7.466 -9.327 101 HA TYR 14 HA TYR 14 -6.769 -5.516 -7.389 102 1HB TYR 14 1HB TYR 14 -8.692 -6.145 -8.978 103 2HB TYR 14 2HB TYR 14 -9.000 -7.558 -7.989 104 HD1 TYR 14 1HD TYR 14 -11.277 -5.986 -8.375 105 HD2 TYR 14 2HD TYR 14 -8.085 -5.270 -5.617 106 HE1 TYR 14 1HE TYR 14 -12.841 -4.619 -6.909 107 HE2 TYR 14 2HE TYR 14 -9.660 -3.906 -4.160 108 HH TYR 14 HH TYR 14 -13.063 -3.472 -5.099 109 H ARG 15 H ARG 15 -5.266 -6.375 -5.760 110 HA ARG 15 HA ARG 15 -6.752 -7.956 -3.839 111 1HB ARG 15 1HB ARG 15 -4.028 -8.537 -5.004 112 2HB ARG 15 2HB ARG 15 -4.268 -8.891 -3.305 113 1HG ARG 15 1HG ARG 15 -6.337 -9.838 -5.301 114 2HG ARG 15 2HG ARG 15 -4.828 -10.718 -5.164 115 1HD ARG 15 1HD ARG 15 -5.224 -10.934 -2.672 116 2HD ARG 15 2HD ARG 15 -6.774 -10.142 -2.877 117 HE ARG 15 HE ARG 15 -7.611 -12.067 -4.025 118 1HH1 ARG 15 1HH1 ARG 15 -4.260 -12.456 -3.027 119 2HH1 ARG 15 2HH1 ARG 15 -4.218 -14.151 -3.379 120 1HH2 ARG 15 1HH2 ARG 15 -7.568 -14.311 -4.456 121 2HH2 ARG 15 2HH2 ARG 15 -6.127 -15.223 -4.150 122 H TYR 16 H TYR 16 -4.967 -5.189 -4.673 123 HA TYR 16 HA TYR 16 -5.072 -4.116 -2.089 124 1HB TYR 16 1HB TYR 16 -2.859 -4.470 -1.342 125 2HB TYR 16 2HB TYR 16 -3.008 -5.910 -2.331 126 HD1 TYR 16 1HD TYR 16 -1.167 -2.899 -1.780 127 HD2 TYR 16 2HD TYR 16 -2.219 -5.740 -4.800 128 HE1 TYR 16 1HE TYR 16 0.810 -2.145 -3.188 129 HE2 TYR 16 2HE TYR 16 -0.238 -4.977 -6.199 130 HH TYR 16 HH TYR 16 1.866 -2.348 -5.059 131 HA PRO 17 HA PRO 17 -4.588 -0.628 -4.681 132 1HB PRO 17 1HB PRO 17 -4.223 1.315 -2.707 133 2HB PRO 17 2HB PRO 17 -5.789 0.675 -3.165 134 1HG PRO 17 1HG PRO 17 -4.215 0.148 -0.719 135 2HG PRO 17 2HG PRO 17 -5.922 -0.126 -1.006 136 1HD PRO 17 1HD PRO 17 -3.848 -2.107 -0.975 137 2HD PRO 17 2HD PRO 17 -5.534 -2.362 -1.376 138 H ASN 18 H ASN 18 -2.468 0.472 -2.024 139 HA ASN 18 HA ASN 18 -0.124 -0.294 -3.360 140 1HB ASN 18 1HB ASN 18 0.263 2.517 -3.414 141 2HB ASN 18 2HB ASN 18 0.120 1.460 -4.805 142 1HD2 ASN 18 1HD2 ASN 18 -2.817 2.872 -5.917 143 2HD2 ASN 18 2HD2 ASN 18 -1.390 1.932 -6.198 144 H GLN 19 H GLN 19 -1.172 2.746 -1.632 145 HA GLN 19 HA GLN 19 -0.647 3.607 0.290 146 1HB GLN 19 1HB GLN 19 0.079 0.918 1.466 147 2HB GLN 19 2HB GLN 19 -0.749 2.262 2.227 148 1HG GLN 19 1HG GLN 19 -2.554 1.760 0.274 149 2HG GLN 19 2HG GLN 19 -1.841 0.162 0.366 150 1HE2 GLN 19 1HE2 GLN 19 -2.798 -0.467 3.768 151 2HE2 GLN 19 2HE2 GLN 19 -1.343 -0.423 2.829 152 H VAL 20 H VAL 20 1.384 3.692 -1.608 153 HA VAL 20 HA VAL 20 3.710 3.699 0.134 154 HB VAL 20 HB VAL 20 5.045 2.703 -1.786 155 1HG1 VAL 20 1HG1 VAL 20 3.086 0.839 -0.407 156 2HG1 VAL 20 2HG1 VAL 20 4.713 0.442 -1.010 157 3HG1 VAL 20 3HG1 VAL 20 4.521 1.551 0.369 158 1HG2 VAL 20 1HG2 VAL 20 3.664 1.038 -3.161 159 2HG2 VAL 20 2HG2 VAL 20 2.243 1.997 -2.682 160 3HG2 VAL 20 3HG2 VAL 20 3.555 2.755 -3.616 161 H TYR 21 H TYR 21 3.272 6.008 0.099 162 HA TYR 21 HA TYR 21 4.751 7.372 -1.811 163 1HB TYR 21 1HB TYR 21 2.457 8.577 -2.647 164 2HB TYR 21 2HB TYR 21 3.076 7.164 -3.479 165 HD1 TYR 21 1HD TYR 21 1.340 7.291 -0.171 166 HD2 TYR 21 2HD TYR 21 1.127 6.119 -4.280 167 HE1 TYR 21 1HE TYR 21 -0.838 6.061 0.285 168 HE2 TYR 21 2HE TYR 21 -1.050 4.894 -3.810 169 HH TYR 21 HH TYR 21 -2.352 4.092 -2.208 170 H TYR 22 H TYR 22 3.909 9.900 -1.771 171 HA TYR 22 HA TYR 22 3.688 10.447 1.091 172 1HB TYR 22 1HB TYR 22 4.248 12.824 -0.074 173 2HB TYR 22 2HB TYR 22 5.519 11.636 0.139 174 HD1 TYR 22 1HD TYR 22 2.897 12.613 -2.364 175 HD2 TYR 22 2HD TYR 22 6.828 11.061 -1.697 176 HE1 TYR 22 1HE TYR 22 3.333 12.620 -4.869 177 HE2 TYR 22 2HE TYR 22 7.251 11.073 -4.203 178 HH TYR 22 HH TYR 22 6.474 11.559 -6.154 179 H ARG 23 H ARG 23 1.264 9.571 0.184 180 HA ARG 23 HA ARG 23 -0.174 12.031 -0.390 181 1HB ARG 23 1HB ARG 23 -0.548 9.174 -1.164 182 2HB ARG 23 2HB ARG 23 -2.029 9.988 -0.702 183 1HG ARG 23 1HG ARG 23 -2.094 10.908 -2.774 184 2HG ARG 23 2HG ARG 23 -0.690 11.863 -2.340 185 1HD ARG 23 1HD ARG 23 -0.147 10.657 -4.379 186 2HD ARG 23 2HD ARG 23 0.790 9.940 -3.083 187 HE ARG 23 HE ARG 23 -0.462 7.959 -3.284 188 1HH1 ARG 23 1HH1 ARG 23 -3.142 9.483 -5.886 189 2HH1 ARG 23 2HH1 ARG 23 -1.949 10.522 -5.180 190 1HH2 ARG 23 1HH2 ARG 23 -3.199 7.232 -5.323 191 2HH2 ARG 23 2HH2 ARG 23 -2.095 6.606 -4.144 192 HA PRO 24 HA PRO 24 -2.235 9.827 3.355 193 1HB PRO 24 1HB PRO 24 -0.646 7.954 4.685 194 2HB PRO 24 2HB PRO 24 -1.854 7.531 3.488 195 1HG PRO 24 1HG PRO 24 1.091 7.513 3.235 196 2HG PRO 24 2HG PRO 24 -0.101 6.709 2.234 197 1HD PRO 24 1HD PRO 24 1.347 9.101 1.593 198 2HD PRO 24 2HD PRO 24 0.073 8.362 0.644 199 H VAL 25 H VAL 25 0.384 11.606 2.922 200 HA VAL 25 HA VAL 25 1.064 11.924 5.729 201 HB VAL 25 HB VAL 25 2.736 13.500 4.862 202 1HG1 VAL 25 1HG1 VAL 25 4.139 11.846 3.684 203 2HG1 VAL 25 2HG1 VAL 25 3.317 11.137 5.095 204 3HG1 VAL 25 3HG1 VAL 25 2.711 10.808 3.454 205 1HG2 VAL 25 1HG2 VAL 25 1.530 12.812 2.163 206 2HG2 VAL 25 2HG2 VAL 25 1.608 14.412 2.939 207 3HG2 VAL 25 3HG2 VAL 25 3.102 13.617 2.385 208 H CYS 26 H CYS 26 -1.182 13.099 3.387 209 HA CYS 26 HA CYS 26 -1.362 15.765 4.117 210 1HB CYS 26 1HB CYS 26 -3.563 13.921 3.128 211 2HB CYS 26 2HB CYS 26 -3.638 15.672 3.157 212 HG CYS 26 HG CYS 26 -1.795 13.591 1.411
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