NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21111 | 2h3s | 7233 | 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 H GLY 1 6.232 -18.180 1.332 2 1HA GLY 1 1HA GLY 1 8.396 -17.029 1.574 3 2HA GLY 1 2HA GLY 1 7.874 -17.131 -0.124 4 HA PRO 2 HA PRO 2 7.897 -12.611 1.588 5 1HB PRO 2 1HB PRO 2 10.501 -11.802 1.752 6 2HB PRO 2 2HB PRO 2 9.632 -12.588 3.102 7 1HG PRO 2 1HG PRO 2 11.501 -13.861 1.084 8 2HG PRO 2 2HG PRO 2 11.505 -14.054 2.866 9 1HD PRO 2 1HD PRO 2 10.317 -15.857 1.179 10 2HD PRO 2 2HD PRO 2 9.641 -15.489 2.799 11 H SER 3 H SER 3 6.969 -12.449 -0.417 12 HA SER 3 HA SER 3 7.924 -12.710 -2.955 13 1HB SER 3 1HB SER 3 6.034 -11.061 -3.477 14 2HB SER 3 2HB SER 3 5.612 -12.484 -2.499 15 HG SER 3 HG SER 3 4.715 -10.809 -1.399 16 H GLN 4 H GLN 4 7.501 -9.465 -1.524 17 HA GLN 4 HA GLN 4 10.137 -8.521 -2.293 18 1HB GLN 4 1HB GLN 4 8.884 -8.457 -4.461 19 2HB GLN 4 2HB GLN 4 7.646 -7.470 -3.701 20 1HG GLN 4 1HG GLN 4 9.289 -5.651 -3.343 21 2HG GLN 4 2HG GLN 4 10.569 -6.679 -4.005 22 1HE2 GLN 4 2HE2 GLN 4 10.539 -7.143 -6.272 23 2HE2 GLN 4 1HE2 GLN 4 9.587 -6.191 -7.402 24 HA PRO 5 HA PRO 5 7.801 -6.647 1.230 25 1HB PRO 5 1HB PRO 5 9.325 -7.323 3.354 26 2HB PRO 5 2HB PRO 5 8.240 -8.498 2.582 27 1HG PRO 5 1HG PRO 5 11.198 -8.121 2.107 28 2HG PRO 5 2HG PRO 5 10.337 -9.648 2.435 29 1HD PRO 5 1HD PRO 5 10.999 -8.740 -0.101 30 2HD PRO 5 2HD PRO 5 9.566 -9.753 0.225 31 H THR 6 H THR 6 8.709 -4.835 -0.327 32 HA THR 6 HA THR 6 11.236 -3.593 0.365 33 HB THR 6 HB THR 6 9.861 -1.622 -0.871 34 HG1 THR 6 HG1 THR 6 7.952 -2.317 -1.417 35 1HG2 THR 6 1HG2 THR 6 10.604 -2.575 -3.036 36 2HG2 THR 6 2HG2 THR 6 10.876 -4.147 -2.251 37 3HG2 THR 6 3HG2 THR 6 11.850 -2.735 -1.788 38 H TYR 7 H TYR 7 11.317 -1.347 1.520 39 HA TYR 7 HA TYR 7 9.038 -0.864 3.275 40 1HB TYR 7 1HB TYR 7 10.652 -0.991 5.304 41 2HB TYR 7 2HB TYR 7 10.002 -2.480 4.670 42 HD1 TYR 7 HD1 TYR 7 13.059 -0.293 4.430 43 HD2 TYR 7 HD2 TYR 7 11.440 -4.263 4.093 44 HE1 TYR 7 HE1 TYR 7 15.321 -1.153 3.968 45 HE2 TYR 7 HE2 TYR 7 13.714 -5.153 3.670 46 HH TYR 7 HH TYR 7 16.568 -2.993 3.414 47 HA PRO 8 HA PRO 8 10.694 3.198 2.909 48 1HB PRO 8 1HB PRO 8 9.677 4.447 5.110 49 2HB PRO 8 2HB PRO 8 8.664 3.932 3.726 50 1HG PRO 8 1HG PRO 8 9.141 2.521 6.364 51 2HG PRO 8 2HG PRO 8 7.577 2.816 5.527 52 1HD PRO 8 1HD PRO 8 8.903 0.448 5.338 53 2HD PRO 8 2HD PRO 8 8.006 1.126 3.950 54 H GLY 9 H GLY 9 12.000 4.914 4.348 55 1HA GLY 9 1HA GLY 9 13.785 3.498 6.274 56 2HA GLY 9 2HA GLY 9 14.493 4.178 4.822 57 HA PRO 11 HA PRO 11 13.106 8.315 -4.582 58 1HB PRO 11 1HB PRO 11 12.238 5.695 -4.651 59 2HB PRO 11 2HB PRO 11 13.921 6.208 -4.986 60 1HG PRO 11 1HG PRO 11 12.766 5.161 -2.381 61 2HG PRO 11 2HG PRO 11 14.287 4.675 -3.178 62 1HD PRO 11 1HD PRO 11 14.212 6.492 -1.145 63 2HD PRO 11 2HD PRO 11 15.378 6.672 -2.484 64 H VAL 12 H VAL 12 11.185 9.321 -4.786 65 HA VAL 12 HA VAL 12 9.165 9.371 -2.797 66 HB VAL 12 HB VAL 12 8.956 10.071 -5.764 67 1HG1 VAL 12 1HG1 VAL 12 7.252 11.716 -5.001 68 2HG1 VAL 12 2HG1 VAL 12 6.761 10.056 -4.679 69 3HG1 VAL 12 3HG1 VAL 12 7.368 11.067 -3.350 70 1HG2 VAL 12 1HG2 VAL 12 10.867 11.289 -4.840 71 2HG2 VAL 12 2HG2 VAL 12 9.519 12.396 -5.050 72 3HG2 VAL 12 3HG2 VAL 12 9.913 11.789 -3.430 73 H GLU 13 H GLU 13 9.597 7.401 -5.700 74 HA GLU 13 HA GLU 13 7.152 6.133 -5.994 75 1HB GLU 13 1HB GLU 13 10.047 5.228 -6.322 76 2HB GLU 13 2HB GLU 13 8.720 4.170 -6.785 77 1HG GLU 13 1HG GLU 13 9.038 7.003 -7.892 78 2HG GLU 13 2HG GLU 13 9.789 5.584 -8.621 79 H ASP 14 H ASP 14 9.706 5.361 -3.639 80 HA ASP 14 HA ASP 14 8.509 2.882 -2.700 81 1HB ASP 14 1HB ASP 14 10.894 3.297 -2.479 82 2HB ASP 14 2HB ASP 14 10.597 4.754 -1.544 83 H LEU 15 H LEU 15 8.472 6.247 -1.688 84 HA LEU 15 HA LEU 15 7.048 5.944 0.773 85 1HB LEU 15 1HB LEU 15 8.162 8.100 -0.832 86 2HB LEU 15 2HB LEU 15 6.492 8.509 -0.509 87 HG LEU 15 HG LEU 15 8.006 9.461 1.134 88 1HD1 LEU 15 1HD1 LEU 15 6.845 8.879 3.151 89 2HD1 LEU 15 2HD1 LEU 15 6.406 7.285 2.517 90 3HD1 LEU 15 3HD1 LEU 15 5.675 8.749 1.827 91 1HD2 LEU 15 1HD2 LEU 15 9.709 7.626 1.003 92 2HD2 LEU 15 2HD2 LEU 15 8.672 6.623 2.031 93 3HD2 LEU 15 3HD2 LEU 15 9.332 8.155 2.644 94 H ILE 16 H ILE 16 6.033 6.774 -2.532 95 HA ILE 16 HA ILE 16 3.244 6.962 -1.990 96 HB ILE 16 HB ILE 16 4.780 6.365 -4.549 97 1HG1 ILE 16 1HG1 ILE 16 5.212 8.613 -3.573 98 2HG1 ILE 16 2HG1 ILE 16 4.430 8.676 -5.140 99 1HG2 ILE 16 1HG2 ILE 16 1.815 6.932 -4.155 100 2HG2 ILE 16 2HG2 ILE 16 2.659 7.051 -5.726 101 3HG2 ILE 16 3HG2 ILE 16 2.565 5.509 -4.885 102 1HD1 ILE 16 1HD1 ILE 16 3.552 10.362 -3.588 103 2HD1 ILE 16 2HD1 ILE 16 2.277 9.224 -4.047 104 3HD1 ILE 16 3HD1 ILE 16 3.052 9.105 -2.447 105 H ARG 17 H ARG 17 5.245 4.141 -3.164 106 HA ARG 17 HA ARG 17 3.069 2.356 -3.295 107 1HB ARG 17 1HB ARG 17 6.036 1.976 -2.713 108 2HB ARG 17 2HB ARG 17 4.934 0.600 -2.640 109 1HG ARG 17 1HG ARG 17 4.333 0.773 -4.929 110 2HG ARG 17 2HG ARG 17 5.101 2.361 -5.099 111 1HD ARG 17 1HD ARG 17 6.453 0.611 -6.113 112 2HD ARG 17 2HD ARG 17 7.312 1.385 -4.775 113 HE ARG 17 HE ARG 17 6.446 -0.660 -3.400 114 1HH1 ARG 17 1HH1 ARG 17 7.887 -0.732 -6.617 115 2HH1 ARG 17 2HH1 ARG 17 8.226 -2.425 -6.574 116 1HH2 ARG 17 1HH2 ARG 17 7.090 -2.827 -3.265 117 2HH2 ARG 17 2HH2 ARG 17 7.750 -3.651 -4.638 118 H PHE 18 H PHE 18 5.065 3.183 -0.446 119 HA PHE 18 HA PHE 18 3.792 1.248 1.248 120 1HB PHE 18 1HB PHE 18 6.014 2.401 1.643 121 2HB PHE 18 2HB PHE 18 5.134 3.856 2.075 122 HD1 PHE 18 HD1 PHE 18 3.956 3.985 4.276 123 HD2 PHE 18 HD2 PHE 18 5.842 0.338 2.978 124 HE1 PHE 18 HE1 PHE 18 3.666 3.029 6.533 125 HE2 PHE 18 HE2 PHE 18 5.566 -0.614 5.236 126 HZ PHE 18 HZ PHE 18 4.454 0.723 7.032 127 H TYR 19 H TYR 19 2.871 4.521 0.201 128 HA TYR 19 HA TYR 19 0.849 4.766 2.310 129 1HB TYR 19 1HB TYR 19 2.111 6.643 0.794 130 2HB TYR 19 2HB TYR 19 0.631 6.480 -0.143 131 HD1 TYR 19 HD1 TYR 19 -1.574 6.206 1.619 132 HD2 TYR 19 HD2 TYR 19 2.074 8.419 2.333 133 HE1 TYR 19 HE1 TYR 19 -2.618 7.285 3.531 134 HE2 TYR 19 HE2 TYR 19 0.998 9.575 4.204 135 HH TYR 19 HH TYR 19 -2.284 8.619 5.391 136 H ASN 20 H ASN 20 0.918 4.091 -1.155 137 HA ASN 20 HA ASN 20 -1.775 3.810 -1.771 138 1HB ASN 20 1HB ASN 20 0.150 3.868 -3.335 139 2HB ASN 20 2HB ASN 20 0.637 2.263 -2.828 140 1HD2 ASN 20 2HD2 ASN 20 -0.511 0.450 -3.625 141 2HD2 ASN 20 1HD2 ASN 20 -1.605 0.594 -4.991 142 H ASP 21 H ASP 21 0.352 1.466 -0.108 143 HA ASP 21 HA ASP 21 -1.321 -0.793 -0.364 144 1HB ASP 21 1HB ASP 21 1.038 -0.844 0.478 145 2HB ASP 21 2HB ASP 21 0.488 -0.114 1.994 146 H LEU 22 H LEU 22 -1.352 1.780 2.046 147 HA LEU 22 HA LEU 22 -3.320 0.714 3.793 148 1HB LEU 22 1HB LEU 22 -2.686 3.622 3.142 149 2HB LEU 22 2HB LEU 22 -3.594 3.083 4.533 150 HG LEU 22 HG LEU 22 -0.699 2.262 4.043 151 1HD1 LEU 22 1HD1 LEU 22 -1.774 4.558 5.728 152 2HD1 LEU 22 2HD1 LEU 22 -0.844 4.707 4.222 153 3HD1 LEU 22 3HD1 LEU 22 -0.084 4.009 5.660 154 1HD2 LEU 22 1HD2 LEU 22 -0.734 1.781 6.475 155 2HD2 LEU 22 2HD2 LEU 22 -1.902 0.784 5.601 156 3HD2 LEU 22 3HD2 LEU 22 -2.461 2.189 6.540 157 H GLN 23 H GLN 23 -3.508 2.401 0.731 158 HA GLN 23 HA GLN 23 -6.380 3.002 0.954 159 1HB GLN 23 1HB GLN 23 -4.610 3.192 -1.534 160 2HB GLN 23 2HB GLN 23 -6.194 3.914 -1.268 161 1HG GLN 23 1HG GLN 23 -5.078 5.175 0.706 162 2HG GLN 23 2HG GLN 23 -3.540 4.666 0.007 163 1HE2 GLN 23 2HE2 GLN 23 -6.663 6.342 -0.937 164 2HE2 GLN 23 1HE2 GLN 23 -5.855 7.516 -1.921 165 H GLN 24 H GLN 24 -4.219 0.743 -0.823 166 HA GLN 24 HA GLN 24 -6.186 -0.521 -2.324 167 1HB GLN 24 1HB GLN 24 -3.651 -0.743 -2.541 168 2HB GLN 24 2HB GLN 24 -3.731 -1.873 -1.180 169 1HG GLN 24 1HG GLN 24 -5.426 -3.216 -2.559 170 2HG GLN 24 2HG GLN 24 -5.070 -2.138 -3.906 171 1HE2 GLN 24 2HE2 GLN 24 -3.884 -3.369 -5.329 172 2HE2 GLN 24 1HE2 GLN 24 -2.649 -4.550 -4.883 173 H TYR 25 H TYR 25 -5.082 -1.260 0.947 174 HA TYR 25 HA TYR 25 -6.693 -3.594 1.319 175 1HB TYR 25 1HB TYR 25 -4.894 -2.184 2.915 176 2HB TYR 25 2HB TYR 25 -6.400 -1.934 3.765 177 HD1 TYR 25 HD1 TYR 25 -7.661 -4.741 3.098 178 HD2 TYR 25 HD2 TYR 25 -3.769 -3.545 4.528 179 HE1 TYR 25 HE1 TYR 25 -7.332 -6.976 4.035 180 HE2 TYR 25 HE2 TYR 25 -3.449 -5.782 5.512 181 HH TYR 25 HH TYR 25 -5.782 -8.458 4.882 182 H LEU 26 H LEU 26 -7.631 -0.194 1.314 183 HA LEU 26 HA LEU 26 -10.322 -0.899 2.290 184 1HB LEU 26 1HB LEU 26 -9.059 1.783 1.628 185 2HB LEU 26 2HB LEU 26 -10.694 1.572 2.235 186 HG LEU 26 HG LEU 26 -8.176 0.730 3.733 187 1HD1 LEU 26 1HD1 LEU 26 -8.661 2.661 5.202 188 2HD1 LEU 26 2HD1 LEU 26 -9.993 3.139 4.114 189 3HD1 LEU 26 3HD1 LEU 26 -8.303 3.154 3.547 190 1HD2 LEU 26 1HD2 LEU 26 -11.122 0.726 4.536 191 2HD2 LEU 26 2HD2 LEU 26 -9.765 0.578 5.696 192 3HD2 LEU 26 3HD2 LEU 26 -10.011 -0.646 4.469 193 H ASN 27 H ASN 27 -8.712 -0.620 -0.610 194 HA ASN 27 HA ASN 27 -11.202 -0.149 -2.127 195 1HB ASN 27 1HB ASN 27 -8.370 0.496 -2.567 196 2HB ASN 27 2HB ASN 27 -9.015 -0.363 -3.935 197 1HD2 ASN 27 2HD2 ASN 27 -8.339 2.607 -3.314 198 2HD2 ASN 27 1HD2 ASN 27 -9.816 3.481 -3.684 199 H VAL 28 H VAL 28 -9.429 -2.784 -1.166 200 HA VAL 28 HA VAL 28 -10.691 -4.393 -3.314 201 HB VAL 28 HB VAL 28 -8.130 -4.904 -1.738 202 1HG1 VAL 28 1HG1 VAL 28 -7.772 -6.827 -3.297 203 2HG1 VAL 28 2HG1 VAL 28 -9.165 -7.072 -2.251 204 3HG1 VAL 28 3HG1 VAL 28 -9.411 -6.587 -3.943 205 1HG2 VAL 28 1HG2 VAL 28 -7.822 -3.185 -3.490 206 2HG2 VAL 28 2HG2 VAL 28 -7.032 -4.681 -3.984 207 3HG2 VAL 28 3HG2 VAL 28 -8.612 -4.247 -4.682 208 H VAL 29 H VAL 29 -10.639 -3.750 0.014 209 HA VAL 29 HA VAL 29 -12.193 -6.240 0.502 210 HB VAL 29 HB VAL 29 -10.905 -4.330 2.451 211 1HG1 VAL 29 1HG1 VAL 29 -11.286 -6.239 4.063 212 2HG1 VAL 29 2HG1 VAL 29 -12.773 -5.440 3.535 213 3HG1 VAL 29 3HG1 VAL 29 -12.299 -6.995 2.829 214 1HG2 VAL 29 1HG2 VAL 29 -9.153 -5.465 1.253 215 2HG2 VAL 29 2HG2 VAL 29 -9.350 -6.338 2.777 216 3HG2 VAL 29 3HG2 VAL 29 -10.044 -6.995 1.278 217 H THR 30 H THR 30 -12.422 -2.798 1.411 218 HA THR 30 HA THR 30 -15.186 -3.187 2.012 219 HB THR 30 HB THR 30 -14.947 -0.467 1.676 220 HG1 THR 30 HG1 THR 30 -12.681 -0.516 1.462 221 1HG2 THR 30 1HG2 THR 30 -15.937 -1.724 3.614 222 2HG2 THR 30 2HG2 THR 30 -14.828 -0.464 4.161 223 3HG2 THR 30 3HG2 THR 30 -14.300 -2.154 4.144 224 H ARG 31 H ARG 31 -13.584 -2.336 -1.026 225 HA ARG 31 HA ARG 31 -15.965 -1.504 -2.287 226 1HB ARG 31 1HB ARG 31 -13.601 -1.143 -3.069 227 2HB ARG 31 2HB ARG 31 -13.588 -2.813 -3.647 228 1HG ARG 31 1HG ARG 31 -15.459 -2.293 -5.194 229 2HG ARG 31 2HG ARG 31 -15.519 -0.639 -4.547 230 1HD ARG 31 1HD ARG 31 -13.130 -0.337 -5.293 231 2HD ARG 31 2HD ARG 31 -13.236 -1.943 -6.054 232 HE ARG 31 HE ARG 31 -15.430 -0.313 -6.869 233 1HH1 ARG 31 1HH1 ARG 31 -11.939 -0.781 -7.501 234 2HH1 ARG 31 2HH1 ARG 31 -12.026 -0.135 -9.112 235 1HH2 ARG 31 1HH2 ARG 31 -15.445 0.760 -8.888 236 2HH2 ARG 31 2HH2 ARG 31 -14.026 0.771 -9.905 237 H HIS 32 H HIS 32 -15.180 -4.630 -1.219 238 HA HIS 32 HA HIS 32 -17.328 -5.826 -2.904 239 1HB HIS 32 1HB HIS 32 -14.725 -6.692 -2.744 240 2HB HIS 32 2HB HIS 32 -15.456 -7.640 -1.488 241 HD1 HIS 32 HD1 HIS 32 -18.272 -8.365 -2.969 242 HD2 HIS 32 HD2 HIS 32 -14.408 -8.336 -4.681 243 HE1 HIS 32 HE1 HIS 32 -18.386 -9.817 -5.037 244 H ARG 33 H ARG 33 -16.779 -4.654 0.196 245 HA ARG 33 HA ARG 33 -18.802 -6.552 1.316 246 1HB ARG 33 1HB ARG 33 -16.396 -6.753 2.115 247 2HB ARG 33 2HB ARG 33 -16.638 -5.204 2.941 248 1HG ARG 33 1HG ARG 33 -18.461 -6.168 4.266 249 2HG ARG 33 2HG ARG 33 -18.418 -7.661 3.307 250 1HD ARG 33 1HD ARG 33 -16.214 -8.224 4.111 251 2HD ARG 33 2HD ARG 33 -16.051 -6.662 4.924 252 HE ARG 33 HE ARG 33 -17.894 -8.899 5.667 253 1HH1 ARG 33 1HH1 ARG 33 -15.668 -6.441 6.811 254 2HH1 ARG 33 2HH1 ARG 33 -16.323 -6.379 8.405 255 1HH2 ARG 33 1HH2 ARG 33 -18.780 -8.846 7.742 256 2HH2 ARG 33 2HH2 ARG 33 -18.050 -7.923 9.008 257 H TYR 34 H TYR 34 -17.986 -3.179 0.808 258 HA TYR 34 HA TYR 34 -20.082 -2.219 2.611 259 1HB TYR 34 1HB TYR 34 -17.669 -1.234 2.252 260 2HB TYR 34 2HB TYR 34 -18.341 -0.545 0.781 261 HD1 TYR 34 HD1 TYR 34 -19.979 1.306 0.926 262 HD2 TYR 34 HD2 TYR 34 -18.458 -0.587 4.496 263 HE1 TYR 34 HE1 TYR 34 -20.978 3.104 2.294 264 HE2 TYR 34 HE2 TYR 34 -19.469 1.206 5.870 265 HH TYR 34 HH TYR 34 -21.216 3.971 4.456 266 1HN NH2 35 1H NH2 35 -20.130 -3.641 -0.391 267 2HN NH2 35 2H NH2 35 -21.445 -2.717 -1.076 268 2HN ZAB 10 H AZO 10 12.211 6.478 5.454 269 2HA ZAB 10 2HA AZO 10 12.130 8.345 6.844 270 3HA ZAB 10 3HA AZO 10 13.561 7.760 7.718 271 HG2 ZAB 10 HG2 AZO 10 15.857 7.830 6.360 272 HD2 ZAB 10 HD2 AZO 10 17.242 9.259 4.906 273 HE ZAB 10 HE AZO 10 16.217 11.135 3.659 274 HG1 ZAB 10 HG1 AZO 10 12.365 10.147 5.337 275 HJ2 ZAB 10 HJ2 AZO 10 15.283 14.048 1.426 276 HK2 ZAB 10 HK2 AZO 10 16.359 13.521 -0.755 277 HL ZAB 10 HL AZO 10 16.063 11.286 -1.780 278 HJ1 ZAB 10 HJ1 AZO 10 13.702 10.053 1.601 279 2HM ZAB 10 2HM AZO 10 15.694 8.808 -1.065 280 3HM ZAB 10 3HM AZO 10 14.312 8.479 -0.012 Start of MODEL 2 1 1H GLY 1 H GLY 1 18.206 -10.970 0.384 2 1HA GLY 1 1HA GLY 1 16.890 -11.071 -1.636 3 2HA GLY 1 2HA GLY 1 18.237 -9.944 -1.870 4 HA PRO 2 HA PRO 2 18.503 -13.842 -4.755 5 1HB PRO 2 1HB PRO 2 17.148 -12.980 -7.013 6 2HB PRO 2 2HB PRO 2 16.414 -13.973 -5.731 7 1HG PRO 2 1HG PRO 2 16.235 -10.981 -6.142 8 2HG PRO 2 2HG PRO 2 14.941 -12.120 -5.671 9 1HD PRO 2 1HD PRO 2 16.231 -10.559 -3.853 10 2HD PRO 2 2HD PRO 2 15.656 -12.206 -3.445 11 H SER 3 H SER 3 18.327 -10.375 -5.422 12 HA SER 3 HA SER 3 21.027 -10.196 -6.447 13 1HB SER 3 1HB SER 3 20.205 -8.947 -8.432 14 2HB SER 3 2HB SER 3 19.628 -10.609 -8.454 15 HG SER 3 HG SER 3 18.120 -8.914 -8.964 16 H GLN 4 H GLN 4 20.786 -7.492 -7.095 17 HA GLN 4 HA GLN 4 21.384 -5.672 -5.812 18 1HB GLN 4 1HB GLN 4 19.670 -5.196 -7.392 19 2HB GLN 4 2HB GLN 4 18.413 -5.674 -6.272 20 1HG GLN 4 1HG GLN 4 18.775 -3.166 -6.597 21 2HG GLN 4 2HG GLN 4 18.701 -3.733 -4.924 22 1HE2 GLN 4 2HE2 GLN 4 20.404 -3.163 -3.588 23 2HE2 GLN 4 1HE2 GLN 4 22.014 -2.698 -4.123 24 HA PRO 5 HA PRO 5 20.424 -6.737 -1.449 25 1HB PRO 5 1HB PRO 5 22.883 -6.328 -0.361 26 2HB PRO 5 2HB PRO 5 22.500 -7.791 -1.308 27 1HG PRO 5 1HG PRO 5 23.960 -5.321 -2.246 28 2HG PRO 5 2HG PRO 5 24.373 -7.040 -2.531 29 1HD PRO 5 1HD PRO 5 22.989 -5.439 -4.324 30 2HD PRO 5 2HD PRO 5 22.815 -7.216 -4.253 31 H THR 6 H THR 6 19.049 -4.753 -1.859 32 HA THR 6 HA THR 6 20.191 -2.124 -1.619 33 HB THR 6 HB THR 6 17.425 -2.077 -0.974 34 HG1 THR 6 HG1 THR 6 16.677 -3.769 -1.890 35 1HG2 THR 6 1HG2 THR 6 18.783 -1.577 -3.642 36 2HG2 THR 6 2HG2 THR 6 18.709 -0.422 -2.300 37 3HG2 THR 6 3HG2 THR 6 17.215 -0.937 -3.099 38 H TYR 7 H TYR 7 21.007 -1.380 0.169 39 HA TYR 7 HA TYR 7 20.536 -2.697 2.728 40 1HB TYR 7 1HB TYR 7 22.264 -0.458 1.727 41 2HB TYR 7 2HB TYR 7 21.792 -0.390 3.409 42 HD1 TYR 7 HD1 TYR 7 22.941 -3.096 1.030 43 HD2 TYR 7 HD2 TYR 7 23.320 -1.276 4.910 44 HE1 TYR 7 HE1 TYR 7 24.694 -4.754 1.618 45 HE2 TYR 7 HE2 TYR 7 25.008 -2.942 5.546 46 HH TYR 7 HH TYR 7 25.714 -5.292 4.850 47 HA PRO 8 HA PRO 8 17.000 -0.384 3.907 48 1HB PRO 8 1HB PRO 8 17.143 -0.334 6.628 49 2HB PRO 8 2HB PRO 8 16.992 -1.872 5.732 50 1HG PRO 8 1HG PRO 8 19.567 -0.580 6.710 51 2HG PRO 8 2HG PRO 8 18.977 -2.235 7.047 52 1HD PRO 8 1HD PRO 8 20.686 -1.791 5.018 53 2HD PRO 8 2HD PRO 8 19.315 -2.924 4.801 54 H GLY 9 H GLY 9 16.370 1.573 5.439 55 1HA GLY 9 1HA GLY 9 16.794 3.703 6.269 56 2HA GLY 9 2HA GLY 9 18.494 3.569 5.799 57 HA PRO 11 HA PRO 11 13.557 6.160 -4.108 58 1HB PRO 11 1HB PRO 11 12.375 4.523 -2.299 59 2HB PRO 11 2HB PRO 11 14.129 4.475 -2.643 60 1HG PRO 11 1HG PRO 11 12.756 5.923 -0.357 61 2HG PRO 11 2HG PRO 11 14.153 4.809 -0.267 62 1HD PRO 11 1HD PRO 11 14.469 7.489 -0.350 63 2HD PRO 11 2HD PRO 11 15.613 6.399 -1.190 64 H VAL 12 H VAL 12 12.119 7.607 -5.033 65 HA VAL 12 HA VAL 12 9.940 8.882 -3.593 66 HB VAL 12 HB VAL 12 10.406 8.468 -6.576 67 1HG1 VAL 12 1HG1 VAL 12 8.071 9.140 -6.096 68 2HG1 VAL 12 2HG1 VAL 12 8.673 10.519 -5.158 69 3HG1 VAL 12 3HG1 VAL 12 8.966 10.436 -6.905 70 1HG2 VAL 12 1HG2 VAL 12 11.198 10.806 -4.786 71 2HG2 VAL 12 2HG2 VAL 12 12.311 9.690 -5.604 72 3HG2 VAL 12 3HG2 VAL 12 11.319 10.780 -6.561 73 H GLU 13 H GLU 13 10.186 6.071 -5.839 74 HA GLU 13 HA GLU 13 7.438 5.443 -5.917 75 1HB GLU 13 1HB GLU 13 9.894 3.639 -6.171 76 2HB GLU 13 2HB GLU 13 8.249 3.121 -6.501 77 1HG GLU 13 1HG GLU 13 9.258 3.657 -8.587 78 2HG GLU 13 2HG GLU 13 8.019 4.863 -8.251 79 H ASP 14 H ASP 14 9.925 4.429 -3.546 80 HA ASP 14 HA ASP 14 8.281 2.502 -2.276 81 1HB ASP 14 1HB ASP 14 10.789 2.738 -2.088 82 2HB ASP 14 2HB ASP 14 10.517 4.077 -0.957 83 H LEU 15 H LEU 15 8.802 5.916 -1.575 84 HA LEU 15 HA LEU 15 7.324 6.104 0.821 85 1HB LEU 15 1HB LEU 15 8.815 7.861 0.129 86 2HB LEU 15 2HB LEU 15 7.962 8.073 -1.408 87 HG LEU 15 HG LEU 15 5.984 8.916 -0.229 88 1HD1 LEU 15 1HD1 LEU 15 6.304 7.800 1.984 89 2HD1 LEU 15 2HD1 LEU 15 6.190 9.557 2.196 90 3HD1 LEU 15 3HD1 LEU 15 7.770 8.738 2.242 91 1HD2 LEU 15 1HD2 LEU 15 7.674 10.492 -1.069 92 2HD2 LEU 15 2HD2 LEU 15 8.526 10.419 0.501 93 3HD2 LEU 15 3HD2 LEU 15 6.893 11.097 0.393 94 H ILE 16 H ILE 16 6.334 6.465 -2.573 95 HA ILE 16 HA ILE 16 3.565 7.062 -1.974 96 HB ILE 16 HB ILE 16 4.963 6.115 -4.502 97 1HG1 ILE 16 1HG1 ILE 16 5.765 8.314 -3.835 98 2HG1 ILE 16 2HG1 ILE 16 4.759 8.449 -5.257 99 1HG2 ILE 16 1HG2 ILE 16 2.917 6.990 -5.699 100 2HG2 ILE 16 2HG2 ILE 16 2.660 5.507 -4.768 101 3HG2 ILE 16 3HG2 ILE 16 2.105 7.057 -4.122 102 1HD1 ILE 16 1HD1 ILE 16 3.992 9.215 -2.415 103 2HD1 ILE 16 2HD1 ILE 16 4.280 10.285 -3.793 104 3HD1 ILE 16 3HD1 ILE 16 2.867 9.234 -3.797 105 H ARG 17 H ARG 17 5.346 4.047 -2.842 106 HA ARG 17 HA ARG 17 3.116 2.361 -2.977 107 1HB ARG 17 1HB ARG 17 5.413 1.727 -3.660 108 2HB ARG 17 2HB ARG 17 5.958 1.683 -1.993 109 1HG ARG 17 1HG ARG 17 3.600 0.004 -2.811 110 2HG ARG 17 2HG ARG 17 5.188 -0.519 -3.308 111 1HD ARG 17 1HD ARG 17 4.758 0.100 -0.394 112 2HD ARG 17 2HD ARG 17 4.050 -1.358 -1.058 113 HE ARG 17 HE ARG 17 6.863 -0.794 -0.568 114 1HH1 ARG 17 1HH1 ARG 17 4.626 -2.950 -2.408 115 2HH1 ARG 17 2HH1 ARG 17 5.654 -4.329 -2.104 116 1HH2 ARG 17 1HH2 ARG 17 8.155 -2.565 -0.396 117 2HH2 ARG 17 2HH2 ARG 17 7.594 -4.130 -0.982 118 H PHE 18 H PHE 18 5.129 3.131 -0.090 119 HA PHE 18 HA PHE 18 3.753 1.436 1.687 120 1HB PHE 18 1HB PHE 18 5.943 2.467 2.140 121 2HB PHE 18 2HB PHE 18 5.184 4.051 2.260 122 HD1 PHE 18 HD1 PHE 18 4.482 4.822 4.394 123 HD2 PHE 18 HD2 PHE 18 4.996 0.589 3.755 124 HE1 PHE 18 HE1 PHE 18 3.924 4.395 6.767 125 HE2 PHE 18 HE2 PHE 18 4.412 0.153 6.123 126 HZ PHE 18 HZ PHE 18 3.891 2.062 7.649 127 H TYR 19 H TYR 19 2.779 4.583 0.423 128 HA TYR 19 HA TYR 19 0.722 4.972 2.480 129 1HB TYR 19 1HB TYR 19 2.032 6.800 1.231 130 2HB TYR 19 2HB TYR 19 1.056 6.433 -0.164 131 HD1 TYR 19 HD1 TYR 19 -1.203 7.305 -0.349 132 HD2 TYR 19 HD2 TYR 19 0.952 7.568 3.392 133 HE1 TYR 19 HE1 TYR 19 -2.936 8.797 0.555 134 HE2 TYR 19 HE2 TYR 19 -0.808 9.033 4.304 135 HH TYR 19 HH TYR 19 -2.860 10.048 3.919 136 H ASN 20 H ASN 20 0.843 4.377 -1.014 137 HA ASN 20 HA ASN 20 -1.876 4.039 -1.542 138 1HB ASN 20 1HB ASN 20 -0.085 4.344 -3.233 139 2HB ASN 20 2HB ASN 20 0.513 2.732 -2.899 140 1HD2 ASN 20 2HD2 ASN 20 -0.282 1.116 -4.211 141 2HD2 ASN 20 1HD2 ASN 20 -1.748 1.258 -5.203 142 H ASP 21 H ASP 21 0.386 1.601 -0.255 143 HA ASP 21 HA ASP 21 -1.179 -0.694 -0.863 144 1HB ASP 21 1HB ASP 21 1.164 -0.761 -0.061 145 2HB ASP 21 2HB ASP 21 0.630 -0.301 1.530 146 H LEU 22 H LEU 22 -1.462 1.557 1.916 147 HA LEU 22 HA LEU 22 -3.420 0.031 3.348 148 1HB LEU 22 1HB LEU 22 -2.924 3.061 3.284 149 2HB LEU 22 2HB LEU 22 -4.110 2.258 4.328 150 HG LEU 22 HG LEU 22 -2.077 0.820 5.137 151 1HD1 LEU 22 1HD1 LEU 22 -0.665 3.375 4.256 152 2HD1 LEU 22 2HD1 LEU 22 -0.460 1.822 3.457 153 3HD1 LEU 22 3HD1 LEU 22 0.055 1.992 5.126 154 1HD2 LEU 22 1HD2 LEU 22 -2.425 3.713 5.990 155 2HD2 LEU 22 2HD2 LEU 22 -1.609 2.438 6.925 156 3HD2 LEU 22 3HD2 LEU 22 -3.338 2.306 6.592 157 H GLN 23 H GLN 23 -3.592 2.559 0.905 158 HA GLN 23 HA GLN 23 -6.447 2.806 0.864 159 1HB GLN 23 1HB GLN 23 -4.452 3.461 -1.361 160 2HB GLN 23 2HB GLN 23 -6.102 4.083 -1.198 161 1HG GLN 23 1HG GLN 23 -5.444 5.204 0.936 162 2HG GLN 23 2HG GLN 23 -3.791 4.638 0.733 163 1HE2 GLN 23 2HE2 GLN 23 -5.388 7.413 0.527 164 2HE2 GLN 23 1HE2 GLN 23 -4.618 8.133 -0.853 165 H GLN 24 H GLN 24 -4.107 0.768 -0.904 166 HA GLN 24 HA GLN 24 -5.911 -0.329 -2.762 167 1HB GLN 24 1HB GLN 24 -3.338 -0.430 -2.764 168 2HB GLN 24 2HB GLN 24 -3.501 -1.752 -1.593 169 1HG GLN 24 1HG GLN 24 -4.961 -2.932 -3.331 170 2HG GLN 24 2HG GLN 24 -4.485 -1.674 -4.472 171 1HE2 GLN 24 2HE2 GLN 24 -3.962 -4.652 -4.497 172 2HE2 GLN 24 1HE2 GLN 24 -2.227 -4.754 -4.645 173 H TYR 25 H TYR 25 -5.056 -1.279 0.522 174 HA TYR 25 HA TYR 25 -6.574 -3.746 0.680 175 1HB TYR 25 1HB TYR 25 -4.755 -2.983 2.259 176 2HB TYR 25 2HB TYR 25 -5.862 -1.776 2.893 177 HD1 TYR 25 HD1 TYR 25 -7.111 -2.330 4.816 178 HD2 TYR 25 HD2 TYR 25 -5.686 -5.479 2.237 179 HE1 TYR 25 HE1 TYR 25 -7.903 -4.001 6.432 180 HE2 TYR 25 HE2 TYR 25 -6.524 -7.174 3.859 181 HH TYR 25 HH TYR 25 -8.263 -6.203 6.822 182 H LEU 26 H LEU 26 -7.409 -0.389 1.720 183 HA LEU 26 HA LEU 26 -10.128 -1.026 2.151 184 1HB LEU 26 1HB LEU 26 -8.790 1.578 1.324 185 2HB LEU 26 2HB LEU 26 -10.475 1.509 1.786 186 HG LEU 26 HG LEU 26 -8.285 0.573 3.651 187 1HD1 LEU 26 1HD1 LEU 26 -8.384 2.778 4.742 188 2HD1 LEU 26 2HD1 LEU 26 -9.449 3.374 3.460 189 3HD1 LEU 26 3HD1 LEU 26 -7.762 2.892 3.092 190 1HD2 LEU 26 1HD2 LEU 26 -9.970 0.963 5.388 191 2HD2 LEU 26 2HD2 LEU 26 -10.652 -0.102 4.143 192 3HD2 LEU 26 3HD2 LEU 26 -11.103 1.614 4.184 193 H ASN 27 H ASN 27 -8.524 -0.618 -0.740 194 HA ASN 27 HA ASN 27 -10.929 -0.161 -2.311 195 1HB ASN 27 1HB ASN 27 -8.219 0.306 -2.844 196 2HB ASN 27 2HB ASN 27 -8.534 -1.104 -3.835 197 1HD2 ASN 27 2HD2 ASN 27 -9.734 2.225 -3.078 198 2HD2 ASN 27 1HD2 ASN 27 -10.294 2.511 -4.719 199 H VAL 28 H VAL 28 -9.696 -2.923 -1.088 200 HA VAL 28 HA VAL 28 -11.335 -4.536 -2.987 201 HB VAL 28 HB VAL 28 -8.713 -5.370 -1.687 202 1HG1 VAL 28 1HG1 VAL 28 -10.409 -6.775 -3.804 203 2HG1 VAL 28 2HG1 VAL 28 -8.785 -7.290 -3.281 204 3HG1 VAL 28 3HG1 VAL 28 -10.122 -7.319 -2.131 205 1HG2 VAL 28 1HG2 VAL 28 -8.244 -3.698 -3.474 206 2HG2 VAL 28 2HG2 VAL 28 -7.714 -5.302 -3.942 207 3HG2 VAL 28 3HG2 VAL 28 -9.215 -4.652 -4.613 208 H VAL 29 H VAL 29 -10.672 -3.565 0.195 209 HA VAL 29 HA VAL 29 -12.136 -5.880 1.329 210 HB VAL 29 HB VAL 29 -10.593 -3.570 2.550 211 1HG1 VAL 29 1HG1 VAL 29 -11.050 -4.732 4.757 212 2HG1 VAL 29 2HG1 VAL 29 -12.515 -4.024 4.066 213 3HG1 VAL 29 3HG1 VAL 29 -12.235 -5.766 3.941 214 1HG2 VAL 29 1HG2 VAL 29 -10.210 -6.592 2.650 215 2HG2 VAL 29 2HG2 VAL 29 -9.306 -5.479 1.609 216 3HG2 VAL 29 3HG2 VAL 29 -9.167 -5.346 3.356 217 H THR 30 H THR 30 -12.549 -2.359 1.662 218 HA THR 30 HA THR 30 -15.316 -2.706 2.335 219 HB THR 30 HB THR 30 -15.000 -0.070 1.339 220 HG1 THR 30 HG1 THR 30 -13.169 0.638 2.140 221 1HG2 THR 30 1HG2 THR 30 -16.337 -0.696 3.279 222 2HG2 THR 30 2HG2 THR 30 -15.177 0.579 3.697 223 3HG2 THR 30 3HG2 THR 30 -14.868 -1.104 4.185 224 H ARG 31 H ARG 31 -13.652 -2.132 -0.724 225 HA ARG 31 HA ARG 31 -15.974 -1.720 -2.281 226 1HB ARG 31 1HB ARG 31 -13.398 -1.340 -2.719 227 2HB ARG 31 2HB ARG 31 -13.487 -2.957 -3.426 228 1HG ARG 31 1HG ARG 31 -15.181 -2.168 -5.027 229 2HG ARG 31 2HG ARG 31 -15.295 -0.610 -4.172 230 1HD ARG 31 1HD ARG 31 -12.898 -0.163 -4.730 231 2HD ARG 31 2HD ARG 31 -12.869 -1.656 -5.691 232 HE ARG 31 HE ARG 31 -15.066 -0.123 -6.539 233 1HH1 ARG 31 1HH1 ARG 31 -11.488 0.228 -6.549 234 2HH1 ARG 31 2HH1 ARG 31 -11.472 1.163 -7.988 235 1HH2 ARG 31 1HH2 ARG 31 -14.992 1.243 -8.411 236 2HH2 ARG 31 2HH2 ARG 31 -13.476 1.827 -9.001 237 H HIS 32 H HIS 32 -15.336 -4.507 -0.629 238 HA HIS 32 HA HIS 32 -16.763 -6.237 -2.579 239 1HB HIS 32 1HB HIS 32 -14.304 -6.710 -2.133 240 2HB HIS 32 2HB HIS 32 -14.751 -7.119 -0.477 241 HD1 HIS 32 HD1 HIS 32 -17.027 -9.120 -0.747 242 HD2 HIS 32 HD2 HIS 32 -13.984 -8.684 -3.609 243 HE1 HIS 32 HE1 HIS 32 -16.933 -11.341 -2.004 244 H ARG 33 H ARG 33 -17.167 -4.425 0.195 245 HA ARG 33 HA ARG 33 -19.250 -6.289 1.263 246 1HB ARG 33 1HB ARG 33 -17.342 -4.551 2.898 247 2HB ARG 33 2HB ARG 33 -18.663 -5.524 3.548 248 1HG ARG 33 1HG ARG 33 -16.254 -6.655 2.047 249 2HG ARG 33 2HG ARG 33 -16.365 -6.548 3.785 250 1HD ARG 33 1HD ARG 33 -18.609 -7.962 2.309 251 2HD ARG 33 2HD ARG 33 -17.048 -8.746 2.426 252 HE ARG 33 HE ARG 33 -18.930 -8.112 4.611 253 1HH1 ARG 33 1HH1 ARG 33 -15.875 -9.648 3.598 254 2HH1 ARG 33 2HH1 ARG 33 -15.549 -10.381 5.110 255 1HH2 ARG 33 1HH2 ARG 33 -18.360 -8.794 6.702 256 2HH2 ARG 33 2HH2 ARG 33 -17.071 -9.941 6.951 257 H TYR 34 H TYR 34 -18.056 -2.924 1.488 258 HA TYR 34 HA TYR 34 -20.722 -1.869 1.936 259 1HB TYR 34 1HB TYR 34 -18.610 -1.020 2.962 260 2HB TYR 34 2HB TYR 34 -18.002 -0.603 1.370 261 HD1 TYR 34 HD1 TYR 34 -18.891 1.273 0.123 262 HD2 TYR 34 HD2 TYR 34 -20.301 0.358 4.103 263 HE1 TYR 34 HE1 TYR 34 -19.857 3.509 0.279 264 HE2 TYR 34 HE2 TYR 34 -21.239 2.647 4.300 265 HH TYR 34 HH TYR 34 -20.870 5.011 1.619 266 1HN NH2 35 1H NH2 35 -18.260 -1.934 -0.726 267 2HN NH2 35 2H NH2 35 -19.472 -1.841 -2.009 268 2HN ZAB 10 H AZO 10 15.401 3.283 4.038 269 2HA ZAB 10 2HA AZO 10 16.358 4.809 1.714 270 3HA ZAB 10 3HA AZO 10 14.760 4.040 1.942 271 HG2 ZAB 10 HG2 AZO 10 13.045 5.134 3.430 272 HD2 ZAB 10 HD2 AZO 10 12.224 7.264 4.424 273 HE ZAB 10 HE AZO 10 13.687 9.276 4.469 274 HG1 ZAB 10 HG1 AZO 10 16.779 7.051 2.457 275 HJ2 ZAB 10 HJ2 AZO 10 13.851 10.956 2.477 276 HK2 ZAB 10 HK2 AZO 10 12.356 11.036 0.499 277 HL ZAB 10 HL AZO 10 13.205 10.325 -1.721 278 HJ1 ZAB 10 HJ1 AZO 10 17.056 9.432 0.063 279 2HM ZAB 10 2HM AZO 10 15.988 10.068 -2.953 280 3HM ZAB 10 3HM AZO 10 16.561 8.638 -2.105 Start of MODEL 3 1 1H GLY 1 H GLY 1 -14.517 21.637 10.019 2 1HA GLY 1 1HA GLY 1 -13.287 19.045 9.268 3 2HA GLY 1 2HA GLY 1 -13.292 20.466 8.204 4 HA PRO 2 HA PRO 2 -10.166 21.028 11.841 5 1HB PRO 2 1HB PRO 2 -8.238 19.101 11.826 6 2HB PRO 2 2HB PRO 2 -9.799 18.878 12.677 7 1HG PRO 2 1HG PRO 2 -9.063 17.925 9.893 8 2HG PRO 2 2HG PRO 2 -9.752 16.958 11.237 9 1HD PRO 2 1HD PRO 2 -11.325 18.034 9.296 10 2HD PRO 2 2HD PRO 2 -11.878 17.972 10.994 11 H SER 3 H SER 3 -7.920 21.813 11.579 12 HA SER 3 HA SER 3 -7.391 22.807 8.926 13 1HB SER 3 1HB SER 3 -5.277 23.627 10.246 14 2HB SER 3 2HB SER 3 -6.864 24.326 10.571 15 HG SER 3 HG SER 3 -5.782 23.834 12.468 16 H GLN 4 H GLN 4 -5.403 22.443 7.784 17 HA GLN 4 HA GLN 4 -4.310 19.673 8.056 18 1HB GLN 4 1HB GLN 4 -4.621 21.532 5.658 19 2HB GLN 4 2HB GLN 4 -3.713 20.027 5.611 20 1HG GLN 4 1HG GLN 4 -5.786 18.794 6.314 21 2HG GLN 4 2HG GLN 4 -6.680 20.315 6.184 22 1HE2 GLN 4 2HE2 GLN 4 -7.112 17.818 4.644 23 2HE2 GLN 4 1HE2 GLN 4 -6.903 18.256 2.955 24 HA PRO 5 HA PRO 5 -0.395 21.590 8.919 25 1HB PRO 5 1HB PRO 5 1.460 19.876 7.861 26 2HB PRO 5 2HB PRO 5 0.439 19.421 9.257 27 1HG PRO 5 1HG PRO 5 -0.026 18.781 6.320 28 2HG PRO 5 2HG PRO 5 -0.055 17.650 7.706 29 1HD PRO 5 1HD PRO 5 -2.333 18.731 6.701 30 2HD PRO 5 2HD PRO 5 -2.141 18.483 8.460 31 H THR 6 H THR 6 1.483 22.668 7.828 32 HA THR 6 HA THR 6 1.054 23.123 4.922 33 HB THR 6 HB THR 6 2.202 25.232 6.737 34 HG1 THR 6 HG1 THR 6 -0.301 25.813 6.463 35 1HG2 THR 6 1HG2 THR 6 2.147 25.611 4.266 36 2HG2 THR 6 2HG2 THR 6 1.130 26.759 5.140 37 3HG2 THR 6 3HG2 THR 6 0.384 25.389 4.293 38 H TYR 7 H TYR 7 2.992 21.612 6.990 39 HA TYR 7 HA TYR 7 5.656 22.345 6.040 40 1HB TYR 7 1HB TYR 7 4.597 19.906 7.548 41 2HB TYR 7 2HB TYR 7 6.284 20.296 7.386 42 HD1 TYR 7 HD1 TYR 7 4.391 19.843 9.860 43 HD2 TYR 7 HD2 TYR 7 6.162 23.347 8.047 44 HE1 TYR 7 HE1 TYR 7 4.457 20.933 12.052 45 HE2 TYR 7 HE2 TYR 7 6.230 24.445 10.272 46 HH TYR 7 HH TYR 7 5.351 22.672 13.258 47 HA PRO 8 HA PRO 8 5.766 19.554 2.563 48 1HB PRO 8 1HB PRO 8 8.282 18.445 2.602 49 2HB PRO 8 2HB PRO 8 7.960 20.160 2.191 50 1HG PRO 8 1HG PRO 8 8.783 19.018 4.882 51 2HG PRO 8 2HG PRO 8 9.519 20.391 3.995 52 1HD PRO 8 1HD PRO 8 7.699 20.832 5.933 53 2HD PRO 8 2HD PRO 8 7.644 21.791 4.431 54 H GLY 9 H GLY 9 5.372 17.357 2.056 55 1HA GLY 9 1HA GLY 9 4.996 15.516 4.340 56 2HA GLY 9 2HA GLY 9 4.259 15.411 2.741 57 HA PRO 11 HA PRO 11 12.736 9.964 -3.397 58 1HB PRO 11 1HB PRO 11 11.766 7.626 -2.528 59 2HB PRO 11 2HB PRO 11 13.498 7.963 -2.472 60 1HG PRO 11 1HG PRO 11 11.482 8.322 -0.208 61 2HG PRO 11 2HG PRO 11 13.025 7.404 -0.148 62 1HD PRO 11 1HD PRO 11 12.725 9.999 0.686 63 2HD PRO 11 2HD PRO 11 14.249 9.417 -0.046 64 H VAL 12 H VAL 12 10.592 8.681 -3.947 65 HA VAL 12 HA VAL 12 8.167 9.957 -2.832 66 HB VAL 12 HB VAL 12 8.672 9.757 -5.828 67 1HG1 VAL 12 1HG1 VAL 12 6.830 11.345 -5.983 68 2HG1 VAL 12 2HG1 VAL 12 6.331 9.955 -5.030 69 3HG1 VAL 12 3HG1 VAL 12 6.740 11.472 -4.205 70 1HG2 VAL 12 1HG2 VAL 12 9.217 12.234 -4.155 71 2HG2 VAL 12 2HG2 VAL 12 10.393 11.326 -5.128 72 3HG2 VAL 12 3HG2 VAL 12 9.085 12.194 -5.922 73 H GLU 13 H GLU 13 9.613 7.431 -4.966 74 HA GLU 13 HA GLU 13 7.297 5.967 -5.489 75 1HB GLU 13 1HB GLU 13 10.174 5.004 -5.214 76 2HB GLU 13 2HB GLU 13 8.885 4.070 -5.958 77 1HG GLU 13 1HG GLU 13 9.987 6.726 -6.938 78 2HG GLU 13 2HG GLU 13 10.259 5.152 -7.639 79 H ASP 14 H ASP 14 8.919 6.065 -2.424 80 HA ASP 14 HA ASP 14 7.725 3.507 -1.516 81 1HB ASP 14 1HB ASP 14 9.040 3.871 0.525 82 2HB ASP 14 2HB ASP 14 10.057 3.788 -0.919 83 H LEU 15 H LEU 15 7.525 7.015 -1.214 84 HA LEU 15 HA LEU 15 5.749 7.062 1.050 85 1HB LEU 15 1HB LEU 15 7.014 9.025 0.445 86 2HB LEU 15 2HB LEU 15 6.345 9.031 -1.187 87 HG LEU 15 HG LEU 15 4.113 9.530 -0.322 88 1HD1 LEU 15 1HD1 LEU 15 5.454 9.676 2.424 89 2HD1 LEU 15 2HD1 LEU 15 4.183 8.533 1.932 90 3HD1 LEU 15 3HD1 LEU 15 3.816 10.253 2.054 91 1HD2 LEU 15 1HD2 LEU 15 4.576 11.847 0.354 92 2HD2 LEU 15 2HD2 LEU 15 5.633 11.347 -0.978 93 3HD2 LEU 15 3HD2 LEU 15 6.264 11.434 0.690 94 H ILE 16 H ILE 16 5.201 7.376 -2.491 95 HA ILE 16 HA ILE 16 2.376 7.194 -2.307 96 HB ILE 16 HB ILE 16 4.235 6.496 -4.628 97 1HG1 ILE 16 1HG1 ILE 16 2.591 9.010 -4.038 98 2HG1 ILE 16 2HG1 ILE 16 4.322 8.862 -3.755 99 1HG2 ILE 16 1HG2 ILE 16 2.119 6.806 -6.040 100 2HG2 ILE 16 2HG2 ILE 16 2.091 5.381 -5.017 101 3HG2 ILE 16 3HG2 ILE 16 1.188 6.813 -4.526 102 1HD1 ILE 16 1HD1 ILE 16 2.964 8.786 -6.470 103 2HD1 ILE 16 2HD1 ILE 16 4.011 10.039 -5.809 104 3HD1 ILE 16 3HD1 ILE 16 4.687 8.438 -6.184 105 H ARG 17 H ARG 17 4.850 4.594 -2.605 106 HA ARG 17 HA ARG 17 2.864 2.557 -2.954 107 1HB ARG 17 1HB ARG 17 5.218 2.288 -3.664 108 2HB ARG 17 2HB ARG 17 5.749 2.349 -1.970 109 1HG ARG 17 1HG ARG 17 4.491 0.245 -1.521 110 2HG ARG 17 2HG ARG 17 3.978 0.206 -3.225 111 1HD ARG 17 1HD ARG 17 6.869 0.238 -2.320 112 2HD ARG 17 2HD ARG 17 5.964 -1.258 -2.626 113 HE ARG 17 HE ARG 17 5.685 0.427 -4.885 114 1HH1 ARG 17 1HH1 ARG 17 8.289 -1.427 -3.342 115 2HH1 ARG 17 2HH1 ARG 17 8.980 -1.951 -4.843 116 1HH2 ARG 17 1HH2 ARG 17 6.739 0.096 -6.724 117 2HH2 ARG 17 2HH2 ARG 17 8.110 -0.982 -6.890 118 H PHE 18 H PHE 18 4.440 3.847 -0.041 119 HA PHE 18 HA PHE 18 3.424 1.923 1.777 120 1HB PHE 18 1HB PHE 18 5.266 3.439 2.246 121 2HB PHE 18 2HB PHE 18 4.242 4.845 2.006 122 HD1 PHE 18 HD1 PHE 18 2.446 5.405 3.686 123 HD2 PHE 18 HD2 PHE 18 5.521 2.459 4.400 124 HE1 PHE 18 HE1 PHE 18 2.195 5.712 6.124 125 HE2 PHE 18 HE2 PHE 18 5.263 2.757 6.810 126 HZ PHE 18 HZ PHE 18 3.613 4.437 7.705 127 H TYR 19 H TYR 19 2.107 4.909 0.352 128 HA TYR 19 HA TYR 19 -0.282 4.941 1.998 129 1HB TYR 19 1HB TYR 19 0.825 6.863 0.656 130 2HB TYR 19 2HB TYR 19 0.001 6.238 -0.743 131 HD1 TYR 19 HD1 TYR 19 -2.660 5.860 -0.458 132 HD2 TYR 19 HD2 TYR 19 -0.253 8.443 2.023 133 HE1 TYR 19 HE1 TYR 19 -4.693 7.056 0.260 134 HE2 TYR 19 HE2 TYR 19 -2.269 9.682 2.700 135 HH TYR 19 HH TYR 19 -4.599 9.943 2.347 136 H ASN 20 H ASN 20 0.505 3.939 -1.285 137 HA ASN 20 HA ASN 20 -2.058 3.047 -2.129 138 1HB ASN 20 1HB ASN 20 -0.194 3.338 -3.724 139 2HB ASN 20 2HB ASN 20 0.683 2.011 -2.962 140 1HD2 ASN 20 2HD2 ASN 20 0.554 0.154 -4.201 141 2HD2 ASN 20 1HD2 ASN 20 -0.815 -0.291 -5.182 142 H ASP 21 H ASP 21 0.436 1.270 -0.288 143 HA ASP 21 HA ASP 21 -0.793 -1.292 -0.381 144 1HB ASP 21 1HB ASP 21 1.360 -1.320 0.509 145 2HB ASP 21 2HB ASP 21 1.101 0.136 1.466 146 H LEU 22 H LEU 22 -1.134 1.315 2.043 147 HA LEU 22 HA LEU 22 -3.159 0.034 3.569 148 1HB LEU 22 1HB LEU 22 -2.510 2.988 3.182 149 2HB LEU 22 2HB LEU 22 -3.590 2.369 4.420 150 HG LEU 22 HG LEU 22 -0.641 1.614 4.196 151 1HD1 LEU 22 1HD1 LEU 22 -0.328 3.157 6.082 152 2HD1 LEU 22 2HD1 LEU 22 -2.042 3.620 6.002 153 3HD1 LEU 22 3HD1 LEU 22 -0.926 3.998 4.661 154 1HD2 LEU 22 1HD2 LEU 22 -0.953 0.843 6.542 155 2HD2 LEU 22 2HD2 LEU 22 -1.884 -0.114 5.392 156 3HD2 LEU 22 3HD2 LEU 22 -2.699 1.119 6.395 157 H GLN 23 H GLN 23 -3.370 2.431 0.898 158 HA GLN 23 HA GLN 23 -6.194 2.645 0.949 159 1HB GLN 23 1HB GLN 23 -4.781 4.349 0.039 160 2HB GLN 23 2HB GLN 23 -4.080 3.247 -1.157 161 1HG GLN 23 1HG GLN 23 -5.951 3.277 -2.507 162 2HG GLN 23 2HG GLN 23 -7.037 3.580 -1.157 163 1HE2 GLN 23 2HE2 GLN 23 -4.484 5.184 -3.081 164 2HE2 GLN 23 1HE2 GLN 23 -5.139 6.795 -2.939 165 H GLN 24 H GLN 24 -4.031 0.284 -0.644 166 HA GLN 24 HA GLN 24 -5.947 -0.846 -2.416 167 1HB GLN 24 1HB GLN 24 -3.536 -1.200 -2.659 168 2HB GLN 24 2HB GLN 24 -3.493 -2.039 -1.113 169 1HG GLN 24 1HG GLN 24 -5.077 -3.761 -2.105 170 2HG GLN 24 2HG GLN 24 -4.872 -2.955 -3.660 171 1HE2 GLN 24 2HE2 GLN 24 -3.143 -3.648 -4.877 172 2HE2 GLN 24 1HE2 GLN 24 -1.766 -4.549 -4.293 173 H TYR 25 H TYR 25 -4.932 -1.593 0.879 174 HA TYR 25 HA TYR 25 -6.700 -3.762 1.367 175 1HB TYR 25 1HB TYR 25 -4.704 -2.947 2.735 176 2HB TYR 25 2HB TYR 25 -5.773 -1.756 3.444 177 HD1 TYR 25 HD1 TYR 25 -7.264 -2.366 5.244 178 HD2 TYR 25 HD2 TYR 25 -5.183 -5.415 3.005 179 HE1 TYR 25 HE1 TYR 25 -7.832 -4.040 6.993 180 HE2 TYR 25 HE2 TYR 25 -5.773 -7.091 4.728 181 HH TYR 25 HH TYR 25 -7.263 -6.196 7.824 182 H LEU 26 H LEU 26 -7.455 -0.436 0.941 183 HA LEU 26 HA LEU 26 -10.135 -0.760 2.153 184 1HB LEU 26 1HB LEU 26 -8.587 1.764 1.467 185 2HB LEU 26 2HB LEU 26 -10.220 1.738 2.129 186 HG LEU 26 HG LEU 26 -7.791 0.552 3.531 187 1HD1 LEU 26 1HD1 LEU 26 -9.211 3.190 4.014 188 2HD1 LEU 26 2HD1 LEU 26 -7.578 2.991 3.310 189 3HD1 LEU 26 3HD1 LEU 26 -7.886 2.534 4.994 190 1HD2 LEU 26 1HD2 LEU 26 -9.853 -0.508 4.324 191 2HD2 LEU 26 2HD2 LEU 26 -10.620 1.089 4.527 192 3HD2 LEU 26 3HD2 LEU 26 -9.260 0.608 5.554 193 H ASN 27 H ASN 27 -8.632 -0.984 -0.792 194 HA ASN 27 HA ASN 27 -11.008 -0.166 -2.351 195 1HB ASN 27 1HB ASN 27 -8.013 -0.124 -2.771 196 2HB ASN 27 2HB ASN 27 -8.976 -0.620 -4.112 197 1HD2 ASN 27 2HD2 ASN 27 -8.398 2.041 -1.853 198 2HD2 ASN 27 1HD2 ASN 27 -9.215 3.274 -2.838 199 H VAL 28 H VAL 28 -9.210 -2.838 -1.232 200 HA VAL 28 HA VAL 28 -10.507 -4.611 -3.194 201 HB VAL 28 HB VAL 28 -8.012 -5.005 -1.512 202 1HG1 VAL 28 1HG1 VAL 28 -8.999 -7.196 -2.035 203 2HG1 VAL 28 2HG1 VAL 28 -9.147 -6.742 -3.753 204 3HG1 VAL 28 3HG1 VAL 28 -7.555 -6.960 -3.009 205 1HG2 VAL 28 1HG2 VAL 28 -8.302 -4.469 -4.520 206 2HG2 VAL 28 2HG2 VAL 28 -7.622 -3.338 -3.341 207 3HG2 VAL 28 3HG2 VAL 28 -6.781 -4.841 -3.691 208 H VAL 29 H VAL 29 -10.591 -3.642 0.003 209 HA VAL 29 HA VAL 29 -12.283 -6.027 0.700 210 HB VAL 29 HB VAL 29 -10.917 -4.135 2.610 211 1HG1 VAL 29 1HG1 VAL 29 -12.874 -5.319 3.542 212 2HG1 VAL 29 2HG1 VAL 29 -12.177 -6.875 3.038 213 3HG1 VAL 29 3HG1 VAL 29 -11.379 -5.896 4.283 214 1HG2 VAL 29 1HG2 VAL 29 -9.269 -5.933 3.075 215 2HG2 VAL 29 2HG2 VAL 29 -9.929 -6.884 1.735 216 3HG2 VAL 29 3HG2 VAL 29 -9.122 -5.333 1.428 217 H THR 30 H THR 30 -12.073 -2.544 1.390 218 HA THR 30 HA THR 30 -14.818 -2.446 2.150 219 HB THR 30 HB THR 30 -13.519 0.099 1.304 220 HG1 THR 30 HG1 THR 30 -12.081 0.084 2.925 221 1HG2 THR 30 1HG2 THR 30 -15.697 -0.061 2.536 222 2HG2 THR 30 2HG2 THR 30 -14.483 0.917 3.365 223 3HG2 THR 30 3HG2 THR 30 -14.838 -0.746 3.921 224 H ARG 31 H ARG 31 -13.372 -2.249 -1.068 225 HA ARG 31 HA ARG 31 -15.430 -0.697 -2.273 226 1HB ARG 31 1HB ARG 31 -13.369 -0.957 -3.400 227 2HB ARG 31 2HB ARG 31 -13.414 -2.693 -3.243 228 1HG ARG 31 1HG ARG 31 -13.690 -2.063 -5.531 229 2HG ARG 31 2HG ARG 31 -15.161 -2.870 -4.967 230 1HD ARG 31 1HD ARG 31 -16.366 -0.838 -4.868 231 2HD ARG 31 2HD ARG 31 -14.886 0.147 -4.874 232 HE ARG 31 HE ARG 31 -15.050 -1.367 -7.290 233 1HH1 ARG 31 1HH1 ARG 31 -16.434 1.428 -5.693 234 2HH1 ARG 31 2HH1 ARG 31 -16.456 2.473 -7.079 235 1HH2 ARG 31 1HH2 ARG 31 -15.123 -0.164 -9.136 236 2HH2 ARG 31 2HH2 ARG 31 -15.671 1.483 -9.185 237 H HIS 32 H HIS 32 -15.283 -3.961 -1.300 238 HA HIS 32 HA HIS 32 -17.948 -4.602 -2.388 239 1HB HIS 32 1HB HIS 32 -15.582 -6.180 -1.481 240 2HB HIS 32 2HB HIS 32 -17.115 -6.912 -1.206 241 HD1 HIS 32 HD1 HIS 32 -18.692 -7.348 -3.501 242 HD2 HIS 32 HD2 HIS 32 -14.738 -5.968 -4.042 243 HE1 HIS 32 HE1 HIS 32 -18.130 -7.672 -5.953 244 H ARG 33 H ARG 33 -17.437 -2.680 -0.045 245 HA ARG 33 HA ARG 33 -19.506 -3.913 1.661 246 1HB ARG 33 1HB ARG 33 -17.074 -4.233 2.596 247 2HB ARG 33 2HB ARG 33 -17.150 -2.514 2.959 248 1HG ARG 33 1HG ARG 33 -17.873 -3.529 4.947 249 2HG ARG 33 2HG ARG 33 -19.367 -3.012 4.197 250 1HD ARG 33 1HD ARG 33 -19.671 -5.268 5.064 251 2HD ARG 33 2HD ARG 33 -19.743 -5.319 3.319 252 HE ARG 33 HE ARG 33 -18.065 -6.779 3.296 253 1HH1 ARG 33 1HH1 ARG 33 -17.900 -5.292 6.509 254 2HH1 ARG 33 2HH1 ARG 33 -16.247 -5.699 6.809 255 1HH2 ARG 33 1HH2 ARG 33 -15.926 -7.620 3.812 256 2HH2 ARG 33 2HH2 ARG 33 -15.095 -7.002 5.211 257 H TYR 34 H TYR 34 -17.581 -0.851 1.341 258 HA TYR 34 HA TYR 34 -19.760 0.742 2.396 259 1HB TYR 34 1HB TYR 34 -17.407 1.306 2.762 260 2HB TYR 34 2HB TYR 34 -17.150 1.527 1.040 261 HD1 TYR 34 HD1 TYR 34 -18.353 3.461 -0.139 262 HD2 TYR 34 HD2 TYR 34 -18.176 3.053 4.155 263 HE1 TYR 34 HE1 TYR 34 -18.972 5.825 0.102 264 HE2 TYR 34 HE2 TYR 34 -18.792 5.444 4.409 265 HH TYR 34 HH TYR 34 -19.737 7.440 1.604 266 1HN NH2 35 1H NH2 35 -21.558 1.223 1.200 267 2HN NH2 35 2H NH2 35 -21.600 1.298 -0.547 268 2HN ZAB 10 H AZO 10 7.529 16.136 2.358 269 2HA ZAB 10 2HA AZO 10 8.634 13.437 2.519 270 3HA ZAB 10 3HA AZO 10 8.421 14.080 0.867 271 HG2 ZAB 10 HG2 AZO 10 9.808 14.937 4.250 272 HD2 ZAB 10 HD2 AZO 10 11.762 16.406 4.592 273 HE ZAB 10 HE AZO 10 12.854 17.517 2.646 274 HG1 ZAB 10 HG1 AZO 10 10.015 15.640 -0.005 275 HJ2 ZAB 10 HJ2 AZO 10 15.812 17.413 -0.171 276 HK2 ZAB 10 HK2 AZO 10 17.481 15.606 -0.062 277 HL ZAB 10 HL AZO 10 16.771 13.238 -0.106 278 HJ1 ZAB 10 HJ1 AZO 10 12.643 14.480 -0.395 279 2HM ZAB 10 2HM AZO 10 15.095 11.633 -0.086 280 3HM ZAB 10 3HM AZO 10 13.572 12.134 0.649 Start of MODEL 4 1 1H GLY 1 H GLY 1 30.380 16.565 3.273 2 1HA GLY 1 1HA GLY 1 32.860 17.721 4.428 3 2HA GLY 1 2HA GLY 1 31.487 18.690 3.818 4 HA PRO 2 HA PRO 2 30.671 17.963 8.299 5 1HB PRO 2 1HB PRO 2 29.334 20.289 8.838 6 2HB PRO 2 2HB PRO 2 31.120 20.208 8.750 7 1HG PRO 2 1HG PRO 2 29.184 21.073 6.580 8 2HG PRO 2 2HG PRO 2 30.669 21.912 7.131 9 1HD PRO 2 1HD PRO 2 30.636 20.289 4.932 10 2HD PRO 2 2HD PRO 2 32.063 20.367 6.012 11 H SER 3 H SER 3 28.622 17.583 9.354 12 HA SER 3 HA SER 3 26.099 17.757 7.952 13 1HB SER 3 1HB SER 3 27.667 15.161 8.140 14 2HB SER 3 2HB SER 3 25.927 15.108 8.387 15 HG SER 3 HG SER 3 25.900 14.881 6.386 16 H GLN 4 H GLN 4 24.444 16.580 9.243 17 HA GLN 4 HA GLN 4 24.739 15.831 11.941 18 1HB GLN 4 1HB GLN 4 23.283 17.636 12.892 19 2HB GLN 4 2HB GLN 4 24.918 18.155 12.522 20 1HG GLN 4 1HG GLN 4 24.210 19.441 10.639 21 2HG GLN 4 2HG GLN 4 22.618 18.655 10.601 22 1HE2 GLN 4 2HE2 GLN 4 21.388 20.579 10.861 23 2HE2 GLN 4 1HE2 GLN 4 21.274 21.313 12.459 24 HA PRO 5 HA PRO 5 21.013 14.088 10.327 25 1HB PRO 5 1HB PRO 5 19.736 13.091 12.481 26 2HB PRO 5 2HB PRO 5 21.347 12.507 11.997 27 1HG PRO 5 1HG PRO 5 20.722 14.509 14.165 28 2HG PRO 5 2HG PRO 5 21.838 13.101 14.202 29 1HD PRO 5 1HD PRO 5 22.639 15.698 13.690 30 2HD PRO 5 2HD PRO 5 23.486 14.250 13.061 31 H THR 6 H THR 6 19.124 14.858 9.588 32 HA THR 6 HA THR 6 17.486 16.737 11.165 33 HB THR 6 HB THR 6 18.249 17.150 8.241 34 HG1 THR 6 HG1 THR 6 19.881 18.143 8.874 35 1HG2 THR 6 1HG2 THR 6 17.283 19.440 8.607 36 2HG2 THR 6 2HG2 THR 6 16.643 18.869 10.168 37 3HG2 THR 6 3HG2 THR 6 16.100 18.135 8.644 38 H TYR 7 H TYR 7 15.255 16.616 10.418 39 HA TYR 7 HA TYR 7 13.439 15.315 10.089 40 1HB TYR 7 1HB TYR 7 13.914 16.813 8.124 41 2HB TYR 7 2HB TYR 7 14.539 15.412 7.272 42 HD1 TYR 7 HD1 TYR 7 11.522 16.924 8.846 43 HD2 TYR 7 HD2 TYR 7 13.045 13.814 6.266 44 HE1 TYR 7 HE1 TYR 7 9.223 16.430 8.099 45 HE2 TYR 7 HE2 TYR 7 10.761 13.297 5.541 46 HH TYR 7 HH TYR 7 7.935 15.211 6.646 47 HA PRO 8 HA PRO 8 15.721 11.225 10.040 48 1HB PRO 8 1HB PRO 8 14.763 10.275 12.469 49 2HB PRO 8 2HB PRO 8 16.227 11.282 12.281 50 1HG PRO 8 1HG PRO 8 13.475 12.154 13.082 51 2HG PRO 8 2HG PRO 8 15.063 12.641 13.754 52 1HD PRO 8 1HD PRO 8 13.675 14.165 11.954 53 2HD PRO 8 2HD PRO 8 15.463 14.102 11.992 54 H GLY 9 H GLY 9 14.688 10.158 8.443 55 1HA GLY 9 1HA GLY 9 11.831 9.361 8.783 56 2HA GLY 9 2HA GLY 9 12.700 9.503 7.250 57 HA PRO 11 HA PRO 11 13.835 8.819 0.360 58 1HB PRO 11 1HB PRO 11 12.437 6.517 0.767 59 2HB PRO 11 2HB PRO 11 14.224 6.578 0.786 60 1HG PRO 11 1HG PRO 11 12.333 6.644 3.160 61 2HG PRO 11 2HG PRO 11 13.788 5.627 2.928 62 1HD PRO 11 1HD PRO 11 13.839 7.964 4.353 63 2HD PRO 11 2HD PRO 11 15.236 7.437 3.366 64 H VAL 12 H VAL 12 11.875 9.008 -0.777 65 HA VAL 12 HA VAL 12 9.455 9.820 0.784 66 HB VAL 12 HB VAL 12 10.404 10.795 -1.925 67 1HG1 VAL 12 1HG1 VAL 12 7.943 10.868 -1.700 68 2HG1 VAL 12 2HG1 VAL 12 8.106 11.760 -0.176 69 3HG1 VAL 12 3HG1 VAL 12 8.624 12.492 -1.712 70 1HG2 VAL 12 1HG2 VAL 12 10.490 12.167 0.796 71 2HG2 VAL 12 2HG2 VAL 12 11.888 11.721 -0.202 72 3HG2 VAL 12 3HG2 VAL 12 10.784 12.992 -0.741 73 H GLU 13 H GLU 13 10.826 7.831 -1.847 74 HA GLU 13 HA GLU 13 8.355 6.962 -2.931 75 1HB GLU 13 1HB GLU 13 11.055 5.548 -2.701 76 2HB GLU 13 2HB GLU 13 9.698 4.953 -3.666 77 1HG GLU 13 1HG GLU 13 11.132 7.616 -4.063 78 2HG GLU 13 2HG GLU 13 11.315 6.178 -5.067 79 H ASP 14 H ASP 14 9.911 6.235 0.051 80 HA ASP 14 HA ASP 14 8.692 3.754 0.725 81 1HB ASP 14 1HB ASP 14 10.719 4.830 1.826 82 2HB ASP 14 2HB ASP 14 9.622 5.973 2.604 83 H LEU 15 H LEU 15 7.892 7.125 1.408 84 HA LEU 15 HA LEU 15 5.547 6.726 2.924 85 1HB LEU 15 1HB LEU 15 6.949 8.975 1.459 86 2HB LEU 15 2HB LEU 15 5.272 9.182 1.828 87 HG LEU 15 HG LEU 15 5.708 8.841 4.230 88 1HD1 LEU 15 1HD1 LEU 15 7.691 7.374 4.169 89 2HD1 LEU 15 2HD1 LEU 15 8.049 8.841 5.072 90 3HD1 LEU 15 3HD1 LEU 15 8.651 8.671 3.410 91 1HD2 LEU 15 1HD2 LEU 15 6.864 10.979 4.533 92 2HD2 LEU 15 2HD2 LEU 15 5.749 11.077 3.187 93 3HD2 LEU 15 3HD2 LEU 15 7.490 10.913 2.874 94 H ILE 16 H ILE 16 6.218 6.900 -0.521 95 HA ILE 16 HA ILE 16 3.453 7.264 -1.400 96 HB ILE 16 HB ILE 16 6.071 6.444 -2.740 97 1HG1 ILE 16 1HG1 ILE 16 5.829 8.851 -2.077 98 2HG1 ILE 16 2HG1 ILE 16 6.181 8.535 -3.766 99 1HG2 ILE 16 1HG2 ILE 16 4.516 5.265 -4.059 100 2HG2 ILE 16 2HG2 ILE 16 3.365 6.611 -4.055 101 3HG2 ILE 16 3HG2 ILE 16 4.897 6.742 -4.938 102 1HD1 ILE 16 1HD1 ILE 16 3.833 8.984 -4.377 103 2HD1 ILE 16 2HD1 ILE 16 3.442 9.277 -2.659 104 3HD1 ILE 16 3HD1 ILE 16 4.559 10.342 -3.536 105 H ARG 17 H ARG 17 5.761 4.436 -1.497 106 HA ARG 17 HA ARG 17 3.679 2.673 -2.212 107 1HB ARG 17 1HB ARG 17 5.192 0.846 -1.807 108 2HB ARG 17 2HB ARG 17 6.024 2.174 -2.618 109 1HG ARG 17 1HG ARG 17 6.868 2.878 -0.298 110 2HG ARG 17 2HG ARG 17 6.192 1.369 0.306 111 1HD ARG 17 1HD ARG 17 8.596 1.214 -0.066 112 2HD ARG 17 2HD ARG 17 7.715 0.085 -1.098 113 HE ARG 17 HE ARG 17 8.012 2.277 -2.713 114 1HH1 ARG 17 1HH1 ARG 17 10.360 0.324 -0.881 115 2HH1 ARG 17 2HH1 ARG 17 11.680 0.732 -1.920 116 1HH2 ARG 17 1HH2 ARG 17 9.729 2.614 -4.218 117 2HH2 ARG 17 2HH2 ARG 17 11.288 1.982 -3.893 118 H PHE 18 H PHE 18 4.703 3.560 1.086 119 HA PHE 18 HA PHE 18 3.184 1.617 2.449 120 1HB PHE 18 1HB PHE 18 4.804 3.192 3.463 121 2HB PHE 18 2HB PHE 18 3.707 4.531 3.164 122 HD1 PHE 18 HD1 PHE 18 2.251 5.198 4.947 123 HD2 PHE 18 HD2 PHE 18 3.844 1.181 4.893 124 HE1 PHE 18 HE1 PHE 18 1.461 4.835 7.269 125 HE2 PHE 18 HE2 PHE 18 2.958 0.804 7.167 126 HZ PHE 18 HZ PHE 18 1.782 2.641 8.372 127 H TYR 19 H TYR 19 2.227 4.746 1.043 128 HA TYR 19 HA TYR 19 -0.498 4.552 2.031 129 1HB TYR 19 1HB TYR 19 1.131 6.589 1.129 130 2HB TYR 19 2HB TYR 19 0.066 6.412 -0.227 131 HD1 TYR 19 HD1 TYR 19 -2.454 6.783 0.124 132 HD2 TYR 19 HD2 TYR 19 0.381 7.268 3.350 133 HE1 TYR 19 HE1 TYR 19 -4.200 7.859 1.507 134 HE2 TYR 19 HE2 TYR 19 -1.348 8.362 4.714 135 HH TYR 19 HH TYR 19 -3.698 8.601 4.895 136 H ASN 20 H ASN 20 1.156 3.717 -0.912 137 HA ASN 20 HA ASN 20 -1.197 3.437 -2.603 138 1HB ASN 20 1HB ASN 20 1.667 2.528 -2.864 139 2HB ASN 20 2HB ASN 20 0.433 1.870 -3.918 140 1HD2 ASN 20 2HD2 ASN 20 1.391 5.141 -2.675 141 2HD2 ASN 20 1HD2 ASN 20 0.988 5.997 -4.144 142 H ASP 21 H ASP 21 0.619 1.134 -0.508 143 HA ASP 21 HA ASP 21 -1.102 -1.060 -1.320 144 1HB ASP 21 1HB ASP 21 1.262 -1.239 -0.313 145 2HB ASP 21 2HB ASP 21 0.502 -0.969 1.258 146 H LEU 22 H LEU 22 -1.026 1.167 1.489 147 HA LEU 22 HA LEU 22 -3.179 -0.021 2.874 148 1HB LEU 22 1HB LEU 22 -1.961 2.748 2.876 149 2HB LEU 22 2HB LEU 22 -3.350 2.390 3.893 150 HG LEU 22 HG LEU 22 -0.747 0.820 3.994 151 1HD1 LEU 22 1HD1 LEU 22 -1.762 3.000 5.874 152 2HD1 LEU 22 2HD1 LEU 22 -0.465 3.200 4.656 153 3HD1 LEU 22 3HD1 LEU 22 -0.236 2.085 6.000 154 1HD2 LEU 22 1HD2 LEU 22 -2.650 -0.498 4.848 155 2HD2 LEU 22 2HD2 LEU 22 -3.159 0.863 5.878 156 3HD2 LEU 22 3HD2 LEU 22 -1.625 0.014 6.164 157 H GLN 23 H GLN 23 -3.281 2.562 0.370 158 HA GLN 23 HA GLN 23 -6.125 2.924 0.764 159 1HB GLN 23 1HB GLN 23 -6.119 4.326 -1.166 160 2HB GLN 23 2HB GLN 23 -4.647 4.648 -0.260 161 1HG GLN 23 1HG GLN 23 -3.495 3.056 -1.944 162 2HG GLN 23 2HG GLN 23 -4.972 3.168 -2.901 163 1HE2 GLN 23 2HE2 GLN 23 -2.400 5.042 -1.401 164 2HE2 GLN 23 1HE2 GLN 23 -2.439 6.454 -2.454 165 H GLN 24 H GLN 24 -4.159 0.822 -1.364 166 HA GLN 24 HA GLN 24 -6.295 -0.228 -2.885 167 1HB GLN 24 1HB GLN 24 -3.877 -0.443 -3.380 168 2HB GLN 24 2HB GLN 24 -3.718 -1.576 -2.036 169 1HG GLN 24 1HG GLN 24 -5.264 -3.146 -3.137 170 2HG GLN 24 2HG GLN 24 -5.489 -2.009 -4.475 171 1HE2 GLN 24 2HE2 GLN 24 -3.169 -1.221 -5.395 172 2HE2 GLN 24 1HE2 GLN 24 -1.982 -2.517 -5.602 173 H TYR 25 H TYR 25 -4.921 -1.188 0.215 174 HA TYR 25 HA TYR 25 -6.531 -3.469 0.704 175 1HB TYR 25 1HB TYR 25 -4.458 -2.739 1.942 176 2HB TYR 25 2HB TYR 25 -5.424 -1.518 2.758 177 HD1 TYR 25 HD1 TYR 25 -5.701 -2.111 5.010 178 HD2 TYR 25 HD2 TYR 25 -5.900 -5.204 1.994 179 HE1 TYR 25 HE1 TYR 25 -6.163 -3.795 6.748 180 HE2 TYR 25 HE2 TYR 25 -6.372 -6.875 3.725 181 HH TYR 25 HH TYR 25 -6.997 -5.961 7.133 182 H LEU 26 H LEU 26 -7.550 -0.089 0.775 183 HA LEU 26 HA LEU 26 -10.030 -0.961 2.177 184 1HB LEU 26 1HB LEU 26 -8.979 1.789 1.440 185 2HB LEU 26 2HB LEU 26 -10.592 1.515 2.088 186 HG LEU 26 HG LEU 26 -8.031 0.750 3.543 187 1HD1 LEU 26 1HD1 LEU 26 -8.264 3.194 3.305 188 2HD1 LEU 26 2HD1 LEU 26 -8.445 2.674 4.984 189 3HD1 LEU 26 3HD1 LEU 26 -9.883 3.112 4.039 190 1HD2 LEU 26 1HD2 LEU 26 -9.936 -0.609 4.313 191 2HD2 LEU 26 2HD2 LEU 26 -10.958 0.832 4.425 192 3HD2 LEU 26 3HD2 LEU 26 -9.591 0.631 5.521 193 H ASN 27 H ASN 27 -8.853 -0.191 -0.849 194 HA ASN 27 HA ASN 27 -11.445 -0.103 -2.071 195 1HB ASN 27 1HB ASN 27 -9.000 0.967 -2.681 196 2HB ASN 27 2HB ASN 27 -8.943 -0.454 -3.725 197 1HD2 ASN 27 2HD2 ASN 27 -8.820 2.076 -4.817 198 2HD2 ASN 27 1HD2 ASN 27 -10.353 2.495 -5.517 199 H VAL 28 H VAL 28 -9.519 -2.661 -1.207 200 HA VAL 28 HA VAL 28 -10.943 -4.474 -3.110 201 HB VAL 28 HB VAL 28 -8.270 -4.820 -1.685 202 1HG1 VAL 28 1HG1 VAL 28 -7.937 -6.784 -3.177 203 2HG1 VAL 28 2HG1 VAL 28 -9.281 -7.020 -2.075 204 3HG1 VAL 28 3HG1 VAL 28 -9.605 -6.606 -3.770 205 1HG2 VAL 28 1HG2 VAL 28 -8.762 -4.392 -4.663 206 2HG2 VAL 28 2HG2 VAL 28 -8.165 -3.138 -3.572 207 3HG2 VAL 28 3HG2 VAL 28 -7.196 -4.573 -3.843 208 H VAL 29 H VAL 29 -10.619 -3.576 0.190 209 HA VAL 29 HA VAL 29 -11.987 -6.118 0.988 210 HB VAL 29 HB VAL 29 -10.459 -4.119 2.650 211 1HG1 VAL 29 1HG1 VAL 29 -12.218 -5.206 4.010 212 2HG1 VAL 29 2HG1 VAL 29 -11.662 -6.799 3.453 213 3HG1 VAL 29 3HG1 VAL 29 -10.613 -5.792 4.467 214 1HG2 VAL 29 1HG2 VAL 29 -9.742 -6.928 1.705 215 2HG2 VAL 29 2HG2 VAL 29 -8.940 -5.420 1.234 216 3HG2 VAL 29 3HG2 VAL 29 -8.822 -5.989 2.895 217 H THR 30 H THR 30 -12.287 -2.627 1.642 218 HA THR 30 HA THR 30 -14.971 -3.171 2.594 219 HB THR 30 HB THR 30 -14.625 -0.352 2.093 220 HG1 THR 30 HG1 THR 30 -12.882 0.026 3.317 221 1HG2 THR 30 1HG2 THR 30 -14.677 -2.068 4.621 222 2HG2 THR 30 2HG2 THR 30 -16.088 -1.341 3.811 223 3HG2 THR 30 3HG2 THR 30 -14.877 -0.313 4.591 224 H ARG 31 H ARG 31 -13.645 -2.409 -0.556 225 HA ARG 31 HA ARG 31 -15.991 -1.327 -1.712 226 1HB ARG 31 1HB ARG 31 -13.762 -1.326 -2.772 227 2HB ARG 31 2HB ARG 31 -13.856 -3.087 -2.972 228 1HG ARG 31 1HG ARG 31 -15.797 -2.768 -4.534 229 2HG ARG 31 2HG ARG 31 -15.610 -1.008 -4.350 230 1HD ARG 31 1HD ARG 31 -13.262 -1.221 -5.189 231 2HD ARG 31 2HD ARG 31 -13.517 -2.961 -5.420 232 HE ARG 31 HE ARG 31 -15.566 -1.571 -6.809 233 1HH1 ARG 31 1HH1 ARG 31 -12.003 -1.995 -7.093 234 2HH1 ARG 31 2HH1 ARG 31 -11.990 -1.279 -8.668 235 1HH2 ARG 31 1HH2 ARG 31 -15.434 -0.758 -8.859 236 2HH2 ARG 31 2HH2 ARG 31 -13.902 -0.588 -9.666 237 H HIS 32 H HIS 32 -15.207 -4.555 -0.927 238 HA HIS 32 HA HIS 32 -17.186 -5.965 -2.436 239 1HB HIS 32 1HB HIS 32 -15.589 -6.610 0.057 240 2HB HIS 32 2HB HIS 32 -16.724 -7.732 -0.629 241 HD1 HIS 32 HD1 HIS 32 -14.306 -9.157 -0.819 242 HD2 HIS 32 HD2 HIS 32 -15.154 -6.076 -3.570 243 HE1 HIS 32 HE1 HIS 32 -12.859 -9.582 -2.869 244 H ARG 33 H ARG 33 -17.566 -3.993 0.361 245 HA ARG 33 HA ARG 33 -20.336 -5.032 0.776 246 1HB ARG 33 1HB ARG 33 -20.047 -4.352 3.162 247 2HB ARG 33 2HB ARG 33 -19.007 -5.677 2.627 248 1HG ARG 33 1HG ARG 33 -17.113 -4.093 2.366 249 2HG ARG 33 2HG ARG 33 -18.107 -2.787 3.031 250 1HD ARG 33 1HD ARG 33 -17.347 -5.365 4.441 251 2HD ARG 33 2HD ARG 33 -16.478 -3.826 4.555 252 HE ARG 33 HE ARG 33 -19.014 -3.118 5.278 253 1HH1 ARG 33 1HH1 ARG 33 -16.494 -5.341 6.417 254 2HH1 ARG 33 2HH1 ARG 33 -17.102 -5.502 8.029 255 1HH2 ARG 33 1HH2 ARG 33 -19.821 -3.243 7.455 256 2HH2 ARG 33 2HH2 ARG 33 -18.971 -4.171 8.649 257 H TYR 34 H TYR 34 -18.267 -2.074 1.009 258 HA TYR 34 HA TYR 34 -20.562 -0.328 1.198 259 1HB TYR 34 1HB TYR 34 -18.392 0.131 2.276 260 2HB TYR 34 2HB TYR 34 -17.609 0.190 0.700 261 HD1 TYR 34 HD1 TYR 34 -17.053 2.341 0.015 262 HD2 TYR 34 HD2 TYR 34 -20.679 1.790 2.302 263 HE1 TYR 34 HE1 TYR 34 -17.541 4.742 -0.159 264 HE2 TYR 34 HE2 TYR 34 -21.165 4.202 2.121 265 HH TYR 34 HH TYR 34 -19.059 6.457 0.254 266 1HN NH2 35 1H NH2 35 -18.987 -1.936 -1.507 267 2HN NH2 35 2H NH2 35 -19.822 -0.987 -2.696 268 2HN ZAB 10 H AZO 10 14.025 7.756 6.566 269 2HA ZAB 10 2HA AZO 10 14.626 5.506 8.370 270 3HA ZAB 10 3HA AZO 10 13.481 5.173 7.052 271 HG2 ZAB 10 HG2 AZO 10 14.382 4.419 5.025 272 HD2 ZAB 10 HD2 AZO 10 16.265 4.244 3.423 273 HE ZAB 10 HE AZO 10 18.425 5.386 3.901 274 HG1 ZAB 10 HG1 AZO 10 16.801 6.889 7.600 275 HJ2 ZAB 10 HJ2 AZO 10 20.394 8.752 3.279 276 HK2 ZAB 10 HK2 AZO 10 19.355 10.246 1.580 277 HL ZAB 10 HL AZO 10 17.043 11.035 1.872 278 HJ1 ZAB 10 HJ1 AZO 10 16.769 8.830 5.583 279 2HM ZAB 10 2HM AZO 10 14.851 9.948 4.777 280 3HM ZAB 10 3HM AZO 10 15.303 11.504 4.085 Start of MODEL 5 1 1H GLY 1 H GLY 1 19.994 27.857 -0.662 2 1HA GLY 1 1HA GLY 1 22.376 28.231 -0.206 3 2HA GLY 1 2HA GLY 1 21.388 28.421 1.260 4 HA PRO 2 HA PRO 2 24.420 25.335 2.587 5 1HB PRO 2 1HB PRO 2 24.008 25.485 5.294 6 2HB PRO 2 2HB PRO 2 24.853 26.771 4.385 7 1HG PRO 2 1HG PRO 2 21.921 26.666 5.167 8 2HG PRO 2 2HG PRO 2 23.084 28.005 5.438 9 1HD PRO 2 1HD PRO 2 21.391 27.979 3.309 10 2HD PRO 2 2HD PRO 2 23.058 28.607 3.153 11 H SER 3 H SER 3 24.134 23.382 4.278 12 HA SER 3 HA SER 3 21.465 22.252 4.305 13 1HB SER 3 1HB SER 3 22.471 20.082 3.282 14 2HB SER 3 2HB SER 3 22.010 21.401 2.203 15 HG SER 3 HG SER 3 24.094 20.450 1.781 16 H GLN 4 H GLN 4 22.078 19.706 5.275 17 HA GLN 4 HA GLN 4 24.046 19.714 7.295 18 1HB GLN 4 1HB GLN 4 22.589 19.798 9.294 19 2HB GLN 4 2HB GLN 4 22.534 21.303 8.425 20 1HG GLN 4 1HG GLN 4 20.345 20.458 7.357 21 2HG GLN 4 2HG GLN 4 20.415 19.113 8.507 22 1HE2 GLN 4 2HE2 GLN 4 19.833 19.538 10.678 23 2HE2 GLN 4 1HE2 GLN 4 19.291 21.098 11.258 24 HA PRO 5 HA PRO 5 22.966 15.465 6.768 25 1HB PRO 5 1HB PRO 5 23.431 14.265 9.206 26 2HB PRO 5 2HB PRO 5 24.727 14.850 8.136 27 1HG PRO 5 1HG PRO 5 23.487 16.289 10.492 28 2HG PRO 5 2HG PRO 5 25.221 16.026 10.141 29 1HD PRO 5 1HD PRO 5 24.036 18.339 9.468 30 2HD PRO 5 2HD PRO 5 25.173 17.580 8.325 31 H THR 6 H THR 6 21.278 14.027 6.910 32 HA THR 6 HA THR 6 18.917 14.822 8.421 33 HB THR 6 HB THR 6 18.360 12.414 7.126 34 HG1 THR 6 HG1 THR 6 20.158 12.221 5.907 35 1HG2 THR 6 1HG2 THR 6 18.255 15.230 5.966 36 2HG2 THR 6 2HG2 THR 6 17.033 14.471 7.017 37 3HG2 THR 6 3HG2 THR 6 17.318 13.820 5.398 38 H TYR 7 H TYR 7 18.037 13.571 10.108 39 HA TYR 7 HA TYR 7 19.998 12.097 11.663 40 1HB TYR 7 1HB TYR 7 17.181 13.090 12.040 41 2HB TYR 7 2HB TYR 7 17.671 11.716 12.987 42 HD1 TYR 7 HD1 TYR 7 19.255 15.057 12.019 43 HD2 TYR 7 HD2 TYR 7 18.489 12.123 15.094 44 HE1 TYR 7 HE1 TYR 7 20.446 16.452 13.656 45 HE2 TYR 7 HE2 TYR 7 19.687 13.494 16.723 46 HH TYR 7 HH TYR 7 20.960 15.358 17.057 47 HA PRO 8 HA PRO 8 18.955 8.047 10.225 48 1HB PRO 8 1HB PRO 8 19.484 6.458 12.392 49 2HB PRO 8 2HB PRO 8 20.761 7.363 11.525 50 1HG PRO 8 1HG PRO 8 19.307 8.197 14.046 51 2HG PRO 8 2HG PRO 8 21.077 8.164 13.753 52 1HD PRO 8 1HD PRO 8 19.628 10.432 13.482 53 2HD PRO 8 2HD PRO 8 20.990 10.063 12.380 54 H GLY 9 H GLY 9 17.439 6.169 10.612 55 1HA GLY 9 1HA GLY 9 15.458 5.187 11.399 56 2HA GLY 9 2HA GLY 9 15.313 6.475 12.608 57 HA PRO 11 HA PRO 11 13.751 8.107 -0.298 58 1HB PRO 11 1HB PRO 11 12.547 6.140 1.108 59 2HB PRO 11 2HB PRO 11 14.320 6.330 1.098 60 1HG PRO 11 1HG PRO 11 12.372 7.302 3.218 61 2HG PRO 11 2HG PRO 11 13.895 6.396 3.445 62 1HD PRO 11 1HD PRO 11 13.722 9.133 3.657 63 2HD PRO 11 2HD PRO 11 15.201 8.310 3.077 64 H VAL 12 H VAL 12 12.417 10.014 -0.860 65 HA VAL 12 HA VAL 12 9.911 10.632 0.407 66 HB VAL 12 HB VAL 12 10.817 11.209 -2.439 67 1HG1 VAL 12 1HG1 VAL 12 8.945 12.794 -0.633 68 2HG1 VAL 12 2HG1 VAL 12 9.409 13.208 -2.294 69 3HG1 VAL 12 3HG1 VAL 12 8.425 11.770 -1.991 70 1HG2 VAL 12 1HG2 VAL 12 12.610 12.063 -1.175 71 2HG2 VAL 12 2HG2 VAL 12 11.566 13.461 -1.379 72 3HG2 VAL 12 3HG2 VAL 12 11.561 12.576 0.161 73 H GLU 13 H GLU 13 10.854 8.399 -2.170 74 HA GLU 13 HA GLU 13 8.305 7.755 -3.207 75 1HB GLU 13 1HB GLU 13 10.580 7.327 -4.209 76 2HB GLU 13 2HB GLU 13 10.820 6.034 -3.016 77 1HG GLU 13 1HG GLU 13 10.125 5.113 -5.168 78 2HG GLU 13 2HG GLU 13 8.913 4.778 -3.959 79 H ASP 14 H ASP 14 9.918 6.687 -0.263 80 HA ASP 14 HA ASP 14 8.643 4.226 0.242 81 1HB ASP 14 1HB ASP 14 10.535 5.229 1.551 82 2HB ASP 14 2HB ASP 14 9.434 6.440 2.205 83 H LEU 15 H LEU 15 7.727 7.519 1.083 84 HA LEU 15 HA LEU 15 5.308 6.924 2.377 85 1HB LEU 15 1HB LEU 15 6.776 9.307 1.487 86 2HB LEU 15 2HB LEU 15 5.070 9.517 1.180 87 HG LEU 15 HG LEU 15 5.602 10.452 3.292 88 1HD1 LEU 15 1HD1 LEU 15 3.408 9.255 3.163 89 2HD1 LEU 15 2HD1 LEU 15 4.069 9.375 4.798 90 3HD1 LEU 15 3HD1 LEU 15 4.170 7.841 3.925 91 1HD2 LEU 15 1HD2 LEU 15 6.713 7.738 4.102 92 2HD2 LEU 15 2HD2 LEU 15 6.539 9.143 5.167 93 3HD2 LEU 15 3HD2 LEU 15 7.655 9.209 3.790 94 H ILE 16 H ILE 16 5.942 6.833 -1.046 95 HA ILE 16 HA ILE 16 3.082 7.345 -1.707 96 HB ILE 16 HB ILE 16 5.507 6.764 -3.462 97 1HG1 ILE 16 1HG1 ILE 16 4.719 8.904 -4.578 98 2HG1 ILE 16 2HG1 ILE 16 3.550 9.118 -3.278 99 1HG2 ILE 16 1HG2 ILE 16 3.605 5.514 -4.407 100 2HG2 ILE 16 2HG2 ILE 16 2.566 6.943 -4.260 101 3HG2 ILE 16 3HG2 ILE 16 3.933 6.934 -5.393 102 1HD1 ILE 16 1HD1 ILE 16 6.574 9.020 -2.935 103 2HD1 ILE 16 2HD1 ILE 16 5.616 10.499 -3.068 104 3HD1 ILE 16 3HD1 ILE 16 5.387 9.438 -1.673 105 H ARG 17 H ARG 17 5.525 4.716 -1.925 106 HA ARG 17 HA ARG 17 3.780 2.622 -2.617 107 1HB ARG 17 1HB ARG 17 6.299 2.603 -0.882 108 2HB ARG 17 2HB ARG 17 5.535 1.139 -1.522 109 1HG ARG 17 1HG ARG 17 5.996 1.754 -3.779 110 2HG ARG 17 2HG ARG 17 6.490 3.401 -3.327 111 1HD ARG 17 1HD ARG 17 8.389 2.544 -2.070 112 2HD ARG 17 2HD ARG 17 7.943 0.872 -2.478 113 HE ARG 17 HE ARG 17 8.087 2.144 -4.896 114 1HH1 ARG 17 1HH1 ARG 17 10.433 1.571 -2.254 115 2HH1 ARG 17 2HH1 ARG 17 11.802 1.766 -3.338 116 1HH2 ARG 17 1HH2 ARG 17 10.004 2.045 -6.277 117 2HH2 ARG 17 2HH2 ARG 17 11.558 2.025 -5.500 118 H PHE 18 H PHE 18 4.802 3.532 0.709 119 HA PHE 18 HA PHE 18 3.223 1.560 2.012 120 1HB PHE 18 1HB PHE 18 4.473 4.180 2.880 121 2HB PHE 18 2HB PHE 18 3.496 3.225 3.970 122 HD1 PHE 18 HD1 PHE 18 4.750 2.143 5.557 123 HD2 PHE 18 HD2 PHE 18 6.286 2.294 1.517 124 HE1 PHE 18 HE1 PHE 18 6.723 0.887 6.245 125 HE2 PHE 18 HE2 PHE 18 8.240 1.003 2.214 126 HZ PHE 18 HZ PHE 18 8.480 0.267 4.589 127 H TYR 19 H TYR 19 2.284 4.641 0.613 128 HA TYR 19 HA TYR 19 -0.177 4.877 2.215 129 1HB TYR 19 1HB TYR 19 1.157 6.806 1.344 130 2HB TYR 19 2HB TYR 19 0.736 6.372 -0.300 131 HD1 TYR 19 HD1 TYR 19 -1.874 6.202 -0.825 132 HD2 TYR 19 HD2 TYR 19 -0.156 8.303 2.541 133 HE1 TYR 19 HE1 TYR 19 -3.968 7.450 -0.534 134 HE2 TYR 19 HE2 TYR 19 -2.233 9.569 2.832 135 HH TYR 19 HH TYR 19 -4.393 9.892 2.057 136 H ASN 20 H ASN 20 0.817 4.306 -1.117 137 HA ASN 20 HA ASN 20 -1.589 3.705 -2.344 138 1HB ASN 20 1HB ASN 20 0.541 4.087 -3.496 139 2HB ASN 20 2HB ASN 20 1.085 2.477 -2.996 140 1HD2 ASN 20 2HD2 ASN 20 0.820 1.009 -4.651 141 2HD2 ASN 20 1HD2 ASN 20 -0.491 1.060 -5.821 142 H ASP 21 H ASP 21 0.504 1.445 -0.507 143 HA ASP 21 HA ASP 21 -1.086 -0.860 -1.162 144 1HB ASP 21 1HB ASP 21 1.268 -0.996 -0.387 145 2HB ASP 21 2HB ASP 21 0.761 -0.435 1.212 146 H LEU 22 H LEU 22 -1.314 1.540 1.446 147 HA LEU 22 HA LEU 22 -3.241 -0.023 2.973 148 1HB LEU 22 1HB LEU 22 -2.420 2.914 3.059 149 2HB LEU 22 2HB LEU 22 -3.654 2.223 4.115 150 HG LEU 22 HG LEU 22 -0.790 1.192 3.936 151 1HD1 LEU 22 1HD1 LEU 22 -2.082 3.037 5.976 152 2HD1 LEU 22 2HD1 LEU 22 -0.745 3.392 4.878 153 3HD1 LEU 22 3HD1 LEU 22 -0.501 2.234 6.185 154 1HD2 LEU 22 1HD2 LEU 22 -2.114 -0.587 4.668 155 2HD2 LEU 22 2HD2 LEU 22 -3.165 0.423 5.668 156 3HD2 LEU 22 3HD2 LEU 22 -1.458 0.076 6.139 157 H GLN 23 H GLN 23 -3.461 2.617 0.557 158 HA GLN 23 HA GLN 23 -6.363 2.575 0.701 159 1HB GLN 23 1HB GLN 23 -6.416 3.805 -1.398 160 2HB GLN 23 2HB GLN 23 -5.301 4.553 -0.252 161 1HG GLN 23 1HG GLN 23 -3.423 3.879 -1.436 162 2HG GLN 23 2HG GLN 23 -4.273 2.585 -2.308 163 1HE2 GLN 23 2HE2 GLN 23 -5.424 2.986 -4.216 164 2HE2 GLN 23 1HE2 GLN 23 -5.198 4.503 -5.055 165 H GLN 24 H GLN 24 -4.082 0.324 -0.666 166 HA GLN 24 HA GLN 24 -5.774 -0.731 -2.768 167 1HB GLN 24 1HB GLN 24 -3.145 -0.985 -2.395 168 2HB GLN 24 2HB GLN 24 -3.630 -2.325 -1.350 169 1HG GLN 24 1HG GLN 24 -3.230 -3.307 -3.414 170 2HG GLN 24 2HG GLN 24 -4.989 -3.187 -3.364 171 1HE2 GLN 24 2HE2 GLN 24 -2.232 -2.548 -5.259 172 2HE2 GLN 24 1HE2 GLN 24 -2.971 -1.359 -6.352 173 H TYR 25 H TYR 25 -4.900 -1.784 0.483 174 HA TYR 25 HA TYR 25 -6.701 -3.922 0.792 175 1HB TYR 25 1HB TYR 25 -4.851 -3.235 2.321 176 2HB TYR 25 2HB TYR 25 -5.797 -1.861 2.856 177 HD1 TYR 25 HD1 TYR 25 -7.301 -2.081 4.694 178 HD2 TYR 25 HD2 TYR 25 -5.700 -5.596 2.775 179 HE1 TYR 25 HE1 TYR 25 -7.979 -3.436 6.631 180 HE2 TYR 25 HE2 TYR 25 -6.349 -6.964 4.719 181 HH TYR 25 HH TYR 25 -7.587 -5.475 7.720 182 H LEU 26 H LEU 26 -7.264 -0.462 1.613 183 HA LEU 26 HA LEU 26 -9.990 -0.880 2.213 184 1HB LEU 26 1HB LEU 26 -8.533 1.653 1.357 185 2HB LEU 26 2HB LEU 26 -10.165 1.644 2.029 186 HG LEU 26 HG LEU 26 -7.725 0.535 3.504 187 1HD1 LEU 26 1HD1 LEU 26 -9.104 3.228 3.792 188 2HD1 LEU 26 2HD1 LEU 26 -7.466 2.933 3.179 189 3HD1 LEU 26 3HD1 LEU 26 -7.836 2.588 4.866 190 1HD2 LEU 26 1HD2 LEU 26 -9.774 -0.478 4.333 191 2HD2 LEU 26 2HD2 LEU 26 -10.592 1.095 4.395 192 3HD2 LEU 26 3HD2 LEU 26 -9.238 0.734 5.483 193 H ASN 27 H ASN 27 -8.639 -0.879 -0.828 194 HA ASN 27 HA ASN 27 -11.224 -0.318 -2.113 195 1HB ASN 27 1HB ASN 27 -8.377 -0.014 -2.911 196 2HB ASN 27 2HB ASN 27 -9.304 -0.777 -4.113 197 1HD2 ASN 27 2HD2 ASN 27 -8.100 2.045 -3.736 198 2HD2 ASN 27 1HD2 ASN 27 -9.368 3.169 -4.111 199 H VAL 28 H VAL 28 -9.556 -2.981 -1.040 200 HA VAL 28 HA VAL 28 -11.133 -4.678 -2.905 201 HB VAL 28 HB VAL 28 -8.493 -5.345 -1.523 202 1HG1 VAL 28 1HG1 VAL 28 -8.449 -7.306 -3.040 203 2HG1 VAL 28 2HG1 VAL 28 -9.836 -7.364 -1.972 204 3HG1 VAL 28 3HG1 VAL 28 -10.046 -6.863 -3.680 205 1HG2 VAL 28 1HG2 VAL 28 -8.065 -3.678 -3.297 206 2HG2 VAL 28 2HG2 VAL 28 -7.467 -5.252 -3.785 207 3HG2 VAL 28 3HG2 VAL 28 -9.000 -4.634 -4.449 208 H VAL 29 H VAL 29 -10.596 -3.734 0.308 209 HA VAL 29 HA VAL 29 -12.038 -6.086 1.370 210 HB VAL 29 HB VAL 29 -10.680 -3.740 2.710 211 1HG1 VAL 29 1HG1 VAL 29 -12.591 -4.393 4.134 212 2HG1 VAL 29 2HG1 VAL 29 -12.131 -6.105 3.988 213 3HG1 VAL 29 3HG1 VAL 29 -11.078 -4.957 4.842 214 1HG2 VAL 29 1HG2 VAL 29 -10.083 -6.727 2.606 215 2HG2 VAL 29 2HG2 VAL 29 -9.181 -5.473 1.739 216 3HG2 VAL 29 3HG2 VAL 29 -9.152 -5.503 3.504 217 H THR 30 H THR 30 -12.415 -2.574 1.765 218 HA THR 30 HA THR 30 -15.218 -2.902 2.259 219 HB THR 30 HB THR 30 -14.901 -0.235 2.162 220 HG1 THR 30 HG1 THR 30 -12.649 -0.236 1.660 221 1HG2 THR 30 1HG2 THR 30 -13.896 -2.008 4.439 222 2HG2 THR 30 2HG2 THR 30 -15.607 -1.667 4.107 223 3HG2 THR 30 3HG2 THR 30 -14.528 -0.351 4.566 224 H ARG 31 H ARG 31 -13.475 -1.941 -0.678 225 HA ARG 31 HA ARG 31 -15.800 -0.749 -1.850 226 1HB ARG 31 1HB ARG 31 -13.368 -0.731 -2.737 227 2HB ARG 31 2HB ARG 31 -13.740 -2.353 -3.366 228 1HG ARG 31 1HG ARG 31 -15.648 -1.257 -4.692 229 2HG ARG 31 2HG ARG 31 -14.944 0.304 -4.202 230 1HD ARG 31 1HD ARG 31 -12.714 -0.591 -5.119 231 2HD ARG 31 2HD ARG 31 -13.643 -1.945 -5.801 232 HE ARG 31 HE ARG 31 -14.943 0.325 -6.708 233 1HH1 ARG 31 1HH1 ARG 31 -11.880 -1.378 -7.223 234 2HH1 ARG 31 2HH1 ARG 31 -11.367 -0.386 -8.548 235 1HH2 ARG 31 1HH2 ARG 31 -14.142 1.822 -8.319 236 2HH2 ARG 31 2HH2 ARG 31 -12.820 1.387 -9.318 237 H HIS 32 H HIS 32 -14.870 -4.007 -1.432 238 HA HIS 32 HA HIS 32 -17.069 -5.080 -3.083 239 1HB HIS 32 1HB HIS 32 -14.502 -5.874 -2.810 240 2HB HIS 32 2HB HIS 32 -15.218 -6.861 -1.534 241 HD1 HIS 32 HD1 HIS 32 -17.843 -7.876 -2.853 242 HD2 HIS 32 HD2 HIS 32 -14.166 -7.368 -4.857 243 HE1 HIS 32 HE1 HIS 32 -17.973 -9.273 -5.001 244 H ARG 33 H ARG 33 -16.868 -4.144 0.192 245 HA ARG 33 HA ARG 33 -19.147 -5.950 0.807 246 1HB ARG 33 1HB ARG 33 -17.072 -6.982 1.668 247 2HB ARG 33 2HB ARG 33 -16.833 -5.586 2.728 248 1HG ARG 33 1HG ARG 33 -18.843 -6.102 3.973 249 2HG ARG 33 2HG ARG 33 -19.380 -7.268 2.751 250 1HD ARG 33 1HD ARG 33 -17.628 -8.810 3.366 251 2HD ARG 33 2HD ARG 33 -16.855 -7.620 4.389 252 HE ARG 33 HE ARG 33 -19.341 -9.128 4.913 253 1HH1 ARG 33 1HH1 ARG 33 -17.042 -6.652 6.101 254 2HH1 ARG 33 2HH1 ARG 33 -17.686 -6.635 7.698 255 1HH2 ARG 33 1HH2 ARG 33 -20.181 -9.090 7.060 256 2HH2 ARG 33 2HH2 ARG 33 -19.480 -8.039 8.254 257 H TYR 34 H TYR 34 -17.991 -2.727 0.827 258 HA TYR 34 HA TYR 34 -20.149 -1.929 2.695 259 1HB TYR 34 1HB TYR 34 -17.771 -1.485 3.456 260 2HB TYR 34 2HB TYR 34 -17.620 -0.362 2.110 261 HD1 TYR 34 HD1 TYR 34 -19.319 1.592 1.972 262 HD2 TYR 34 HD2 TYR 34 -18.850 -0.871 5.481 263 HE1 TYR 34 HE1 TYR 34 -20.457 3.313 3.344 264 HE2 TYR 34 HE2 TYR 34 -19.924 0.867 6.862 265 HH TYR 34 HH TYR 34 -20.858 3.032 6.897 266 1HN NH2 35 1H NH2 35 -18.128 -0.871 -0.109 267 2HN NH2 35 2H NH2 35 -19.459 -0.252 -1.032 268 2HN ZAB 10 H AZO 10 15.679 6.461 9.114 269 2HA ZAB 10 2HA AZO 10 13.354 7.122 7.998 270 3HA ZAB 10 3HA AZO 10 13.945 8.715 8.528 271 HG2 ZAB 10 HG2 AZO 10 14.431 5.953 6.187 272 HD2 ZAB 10 HD2 AZO 10 16.181 5.888 4.427 273 HE ZAB 10 HE AZO 10 17.971 7.607 4.382 274 HG1 ZAB 10 HG1 AZO 10 16.319 9.412 7.933 275 HJ2 ZAB 10 HJ2 AZO 10 20.187 11.094 3.348 276 HK2 ZAB 10 HK2 AZO 10 19.398 11.993 1.187 277 HL ZAB 10 HL AZO 10 16.978 12.071 0.660 278 HJ1 ZAB 10 HJ1 AZO 10 16.093 10.369 4.509 279 2HM ZAB 10 2HM AZO 10 14.324 11.168 3.150 280 3HM ZAB 10 3HM AZO 10 14.696 12.297 1.868 Start of MODEL 6 1 1H GLY 1 H GLY 1 -15.816 19.481 -4.788 2 1HA GLY 1 1HA GLY 1 -13.621 18.483 -4.363 3 2HA GLY 1 2HA GLY 1 -13.512 19.686 -5.657 4 HA PRO 2 HA PRO 2 -11.567 21.529 -1.675 5 1HB PRO 2 1HB PRO 2 -10.255 19.829 -0.030 6 2HB PRO 2 2HB PRO 2 -12.033 20.000 0.076 7 1HG PRO 2 1HG PRO 2 -10.443 17.856 -1.373 8 2HG PRO 2 2HG PRO 2 -11.827 17.639 -0.262 9 1HD PRO 2 1HD PRO 2 -12.055 17.712 -3.023 10 2HD PRO 2 2HD PRO 2 -13.363 18.227 -1.926 11 H SER 3 H SER 3 -9.243 22.093 -1.476 12 HA SER 3 HA SER 3 -7.743 21.547 -3.841 13 1HB SER 3 1HB SER 3 -6.852 22.712 -1.159 14 2HB SER 3 2HB SER 3 -5.982 22.842 -2.703 15 HG SER 3 HG SER 3 -7.080 24.496 -3.074 16 H GLN 4 H GLN 4 -5.273 20.890 -3.526 17 HA GLN 4 HA GLN 4 -4.954 18.630 -1.665 18 1HB GLN 4 1HB GLN 4 -4.136 17.205 -3.527 19 2HB GLN 4 2HB GLN 4 -5.854 17.516 -3.560 20 1HG GLN 4 1HG GLN 4 -3.811 18.882 -5.328 21 2HG GLN 4 2HG GLN 4 -4.778 17.481 -5.778 22 1HE2 GLN 4 2HE2 GLN 4 -7.359 17.853 -5.480 23 2HE2 GLN 4 1HE2 GLN 4 -7.874 19.471 -5.933 24 HA PRO 5 HA PRO 5 -1.263 21.446 -2.329 25 1HB PRO 5 1HB PRO 5 -0.995 22.552 0.166 26 2HB PRO 5 2HB PRO 5 -2.034 23.263 -1.111 27 1HG PRO 5 1HG PRO 5 -2.875 21.395 1.126 28 2HG PRO 5 2HG PRO 5 -3.627 22.957 0.651 29 1HD PRO 5 1HD PRO 5 -4.667 20.644 -0.246 30 2HD PRO 5 2HD PRO 5 -4.490 22.048 -1.338 31 H THR 6 H THR 6 0.343 19.994 -2.426 32 HA THR 6 HA THR 6 0.638 17.932 -0.337 33 HB THR 6 HB THR 6 2.350 17.118 -2.040 34 HG1 THR 6 HG1 THR 6 1.051 18.489 -4.057 35 1HG2 THR 6 1HG2 THR 6 0.188 16.031 -1.892 36 2HG2 THR 6 2HG2 THR 6 0.632 16.202 -3.600 37 3HG2 THR 6 3HG2 THR 6 -0.569 17.291 -2.890 38 H TYR 7 H TYR 7 2.878 17.526 0.437 39 HA TYR 7 HA TYR 7 4.713 19.830 0.372 40 1HB TYR 7 1HB TYR 7 3.241 20.208 2.328 41 2HB TYR 7 2HB TYR 7 3.725 18.663 2.998 42 HD1 TYR 7 HD1 TYR 7 5.116 21.935 1.739 43 HD2 TYR 7 HD2 TYR 7 5.664 18.629 4.457 44 HE1 TYR 7 HE1 TYR 7 7.036 23.069 2.760 45 HE2 TYR 7 HE2 TYR 7 7.594 19.768 5.481 46 HH TYR 7 HH TYR 7 8.860 22.867 4.122 47 HA PRO 8 HA PRO 8 6.445 15.527 -0.103 48 1HB PRO 8 1HB PRO 8 7.701 15.823 -2.503 49 2HB PRO 8 2HB PRO 8 5.956 15.459 -2.371 50 1HG PRO 8 1HG PRO 8 7.256 18.156 -2.858 51 2HG PRO 8 2HG PRO 8 5.840 17.429 -3.657 52 1HD PRO 8 1HD PRO 8 5.676 19.246 -1.589 53 2HD PRO 8 2HD PRO 8 4.438 17.999 -1.921 54 H GLY 9 H GLY 9 8.213 15.295 1.128 55 1HA GLY 9 1HA GLY 9 10.300 17.433 1.178 56 2HA GLY 9 2HA GLY 9 9.909 16.322 2.497 57 HA PRO 11 HA PRO 11 13.400 8.929 -2.891 58 1HB PRO 11 1HB PRO 11 12.138 6.606 -3.755 59 2HB PRO 11 2HB PRO 11 13.863 6.984 -4.043 60 1HG PRO 11 1HG PRO 11 12.693 5.350 -1.805 61 2HG PRO 11 2HG PRO 11 14.060 4.913 -2.889 62 1HD PRO 11 1HD PRO 11 14.451 5.900 -0.408 63 2HD PRO 11 2HD PRO 11 15.473 6.484 -1.757 64 H VAL 12 H VAL 12 11.483 9.833 -3.236 65 HA VAL 12 HA VAL 12 9.453 9.805 -1.201 66 HB VAL 12 HB VAL 12 9.079 10.941 -3.991 67 1HG1 VAL 12 1HG1 VAL 12 8.250 11.957 -1.246 68 2HG1 VAL 12 2HG1 VAL 12 7.832 12.691 -2.808 69 3HG1 VAL 12 3HG1 VAL 12 7.198 11.092 -2.383 70 1HG2 VAL 12 1HG2 VAL 12 10.150 13.066 -3.246 71 2HG2 VAL 12 2HG2 VAL 12 10.816 12.226 -1.845 72 3HG2 VAL 12 3HG2 VAL 12 11.299 11.757 -3.486 73 H GLU 13 H GLU 13 9.645 8.370 -4.483 74 HA GLU 13 HA GLU 13 6.983 7.512 -4.657 75 1HB GLU 13 1HB GLU 13 8.653 7.543 -6.484 76 2HB GLU 13 2HB GLU 13 9.475 6.174 -5.719 77 1HG GLU 13 1HG GLU 13 7.359 4.817 -6.004 78 2HG GLU 13 2HG GLU 13 6.629 6.208 -6.834 79 H ASP 14 H ASP 14 9.787 5.791 -3.176 80 HA ASP 14 HA ASP 14 8.433 3.373 -2.690 81 1HB ASP 14 1HB ASP 14 10.673 4.649 -1.075 82 2HB ASP 14 2HB ASP 14 10.132 2.983 -0.911 83 H LEU 15 H LEU 15 8.354 6.439 -0.980 84 HA LEU 15 HA LEU 15 7.024 5.417 1.403 85 1HB LEU 15 1HB LEU 15 8.460 7.372 1.569 86 2HB LEU 15 2HB LEU 15 7.536 8.219 0.324 87 HG LEU 15 HG LEU 15 5.536 8.188 1.796 88 1HD1 LEU 15 1HD1 LEU 15 6.175 6.236 3.240 89 2HD1 LEU 15 2HD1 LEU 15 5.863 7.671 4.199 90 3HD1 LEU 15 3HD1 LEU 15 7.533 7.180 3.877 91 1HD2 LEU 15 1HD2 LEU 15 6.257 9.986 3.240 92 2HD2 LEU 15 2HD2 LEU 15 7.032 10.149 1.660 93 3HD2 LEU 15 3HD2 LEU 15 7.961 9.524 3.036 94 H ILE 16 H ILE 16 6.132 6.953 -1.692 95 HA ILE 16 HA ILE 16 3.340 7.312 -1.106 96 HB ILE 16 HB ILE 16 4.841 7.054 -3.747 97 1HG1 ILE 16 1HG1 ILE 16 3.568 9.498 -2.439 98 2HG1 ILE 16 2HG1 ILE 16 5.257 9.081 -2.228 99 1HG2 ILE 16 1HG2 ILE 16 2.782 7.937 -4.832 100 2HG2 ILE 16 2HG2 ILE 16 2.525 6.350 -4.125 101 3HG2 ILE 16 3HG2 ILE 16 1.922 7.788 -3.282 102 1HD1 ILE 16 1HD1 ILE 16 5.527 9.173 -4.759 103 2HD1 ILE 16 2HD1 ILE 16 3.904 9.894 -4.821 104 3HD1 ILE 16 3HD1 ILE 16 5.212 10.708 -3.949 105 H ARG 17 H ARG 17 5.269 4.608 -2.466 106 HA ARG 17 HA ARG 17 3.095 2.869 -3.076 107 1HB ARG 17 1HB ARG 17 5.920 2.243 -2.130 108 2HB ARG 17 2HB ARG 17 4.801 1.008 -2.656 109 1HG ARG 17 1HG ARG 17 5.700 3.287 -4.487 110 2HG ARG 17 2HG ARG 17 6.583 1.782 -4.283 111 1HD ARG 17 1HD ARG 17 5.373 1.255 -6.131 112 2HD ARG 17 2HD ARG 17 4.327 0.601 -4.870 113 HE ARG 17 HE ARG 17 3.737 3.363 -5.646 114 1HH1 ARG 17 1HH1 ARG 17 3.169 -0.049 -6.539 115 2HH1 ARG 17 2HH1 ARG 17 1.985 0.309 -7.725 116 1HH2 ARG 17 1HH2 ARG 17 1.959 3.815 -7.046 117 2HH2 ARG 17 2HH2 ARG 17 1.105 2.525 -7.845 118 H PHE 18 H PHE 18 4.964 3.164 -0.010 119 HA PHE 18 HA PHE 18 3.541 1.273 1.482 120 1HB PHE 18 1HB PHE 18 5.645 2.480 2.117 121 2HB PHE 18 2HB PHE 18 4.703 3.914 2.458 122 HD1 PHE 18 HD1 PHE 18 2.939 3.813 4.374 123 HD2 PHE 18 HD2 PHE 18 5.970 0.798 3.778 124 HE1 PHE 18 HE1 PHE 18 2.770 3.165 6.753 125 HE2 PHE 18 HE2 PHE 18 5.803 0.162 6.153 126 HZ PHE 18 HZ PHE 18 4.221 1.370 7.669 127 H TYR 19 H TYR 19 2.620 4.602 0.622 128 HA TYR 19 HA TYR 19 0.343 4.689 2.472 129 1HB TYR 19 1HB TYR 19 1.645 6.688 1.355 130 2HB TYR 19 2HB TYR 19 0.656 6.383 -0.033 131 HD1 TYR 19 HD1 TYR 19 -1.177 7.831 -0.262 132 HD2 TYR 19 HD2 TYR 19 0.084 6.691 3.715 133 HE1 TYR 19 HE1 TYR 19 -2.919 9.283 0.710 134 HE2 TYR 19 HE2 TYR 19 -1.690 8.107 4.677 135 HH TYR 19 HH TYR 19 -3.222 9.928 4.165 136 H ASN 20 H ASN 20 0.898 4.119 -0.943 137 HA ASN 20 HA ASN 20 -1.787 3.739 -1.791 138 1HB ASN 20 1HB ASN 20 0.400 4.034 -3.206 139 2HB ASN 20 2HB ASN 20 0.530 2.281 -3.071 140 1HD2 ASN 20 2HD2 ASN 20 -0.026 1.624 -5.191 141 2HD2 ASN 20 1HD2 ASN 20 -1.521 2.094 -5.961 142 H ASP 21 H ASP 21 0.333 1.582 -0.048 143 HA ASP 21 HA ASP 21 -0.917 -0.935 -0.558 144 1HB ASP 21 1HB ASP 21 1.334 -0.384 0.579 145 2HB ASP 21 2HB ASP 21 0.423 -0.053 2.036 146 H LEU 22 H LEU 22 -1.257 1.474 2.035 147 HA LEU 22 HA LEU 22 -3.278 0.274 3.539 148 1HB LEU 22 1HB LEU 22 -2.845 3.248 3.161 149 2HB LEU 22 2HB LEU 22 -3.697 2.484 4.494 150 HG LEU 22 HG LEU 22 -0.775 2.037 3.834 151 1HD1 LEU 22 1HD1 LEU 22 -2.022 3.822 5.984 152 2HD1 LEU 22 2HD1 LEU 22 -1.196 4.376 4.519 153 3HD1 LEU 22 3HD1 LEU 22 -0.280 3.521 5.756 154 1HD2 LEU 22 1HD2 LEU 22 -0.626 1.114 6.137 155 2HD2 LEU 22 2HD2 LEU 22 -1.592 0.158 5.033 156 3HD2 LEU 22 3HD2 LEU 22 -2.415 1.170 6.233 157 H GLN 23 H GLN 23 -3.371 2.473 0.801 158 HA GLN 23 HA GLN 23 -6.235 2.824 0.680 159 1HB GLN 23 1HB GLN 23 -4.099 3.305 -1.427 160 2HB GLN 23 2HB GLN 23 -5.777 3.864 -1.524 161 1HG GLN 23 1HG GLN 23 -5.462 5.174 0.545 162 2HG GLN 23 2HG GLN 23 -3.771 4.659 0.631 163 1HE2 GLN 23 2HE2 GLN 23 -5.062 7.352 0.323 164 2HE2 GLN 23 1HE2 GLN 23 -4.364 8.096 -1.101 165 H GLN 24 H GLN 24 -3.947 0.489 -0.748 166 HA GLN 24 HA GLN 24 -5.674 -0.598 -2.697 167 1HB GLN 24 1HB GLN 24 -3.175 -1.066 -2.513 168 2HB GLN 24 2HB GLN 24 -3.533 -2.054 -1.134 169 1HG GLN 24 1HG GLN 24 -3.172 -3.402 -3.103 170 2HG GLN 24 2HG GLN 24 -4.792 -3.645 -2.465 171 1HE2 GLN 24 2HE2 GLN 24 -6.601 -2.636 -3.622 172 2HE2 GLN 24 1HE2 GLN 24 -6.483 -2.327 -5.346 173 H TYR 25 H TYR 25 -5.128 -1.345 0.693 174 HA TYR 25 HA TYR 25 -6.771 -3.637 0.986 175 1HB TYR 25 1HB TYR 25 -5.081 -2.747 2.613 176 2HB TYR 25 2HB TYR 25 -6.173 -1.443 3.020 177 HD1 TYR 25 HD1 TYR 25 -8.458 -1.997 4.097 178 HD2 TYR 25 HD2 TYR 25 -5.252 -4.880 3.654 179 HE1 TYR 25 HE1 TYR 25 -9.456 -3.396 5.880 180 HE2 TYR 25 HE2 TYR 25 -6.233 -6.249 5.461 181 HH TYR 25 HH TYR 25 -7.864 -6.187 7.316 182 H LEU 26 H LEU 26 -7.535 -0.160 1.624 183 HA LEU 26 HA LEU 26 -10.300 -0.553 2.031 184 1HB LEU 26 1HB LEU 26 -8.850 1.906 0.984 185 2HB LEU 26 2HB LEU 26 -10.517 1.909 1.554 186 HG LEU 26 HG LEU 26 -8.148 1.165 3.288 187 1HD1 LEU 26 1HD1 LEU 26 -8.412 3.365 4.313 188 2HD1 LEU 26 2HD1 LEU 26 -9.698 3.780 3.140 189 3HD1 LEU 26 3HD1 LEU 26 -8.012 3.510 2.590 190 1HD2 LEU 26 1HD2 LEU 26 -9.756 1.539 5.165 191 2HD2 LEU 26 2HD2 LEU 26 -10.224 0.189 4.132 192 3HD2 LEU 26 3HD2 LEU 26 -11.058 1.743 3.980 193 H ASN 27 H ASN 27 -8.667 -0.919 -0.832 194 HA ASN 27 HA ASN 27 -11.043 -0.349 -2.480 195 1HB ASN 27 1HB ASN 27 -8.160 0.007 -2.855 196 2HB ASN 27 2HB ASN 27 -8.663 -1.199 -3.993 197 1HD2 ASN 27 2HD2 ASN 27 -7.891 1.858 -4.039 198 2HD2 ASN 27 1HD2 ASN 27 -8.949 2.310 -5.364 199 H VAL 28 H VAL 28 -9.427 -2.984 -1.175 200 HA VAL 28 HA VAL 28 -10.875 -4.799 -3.035 201 HB VAL 28 HB VAL 28 -8.205 -5.057 -1.599 202 1HG1 VAL 28 1HG1 VAL 28 -9.655 -7.186 -3.215 203 2HG1 VAL 28 2HG1 VAL 28 -7.939 -7.268 -2.765 204 3HG1 VAL 28 3HG1 VAL 28 -9.177 -7.284 -1.505 205 1HG2 VAL 28 1HG2 VAL 28 -7.263 -5.246 -3.871 206 2HG2 VAL 28 2HG2 VAL 28 -8.892 -5.171 -4.578 207 3HG2 VAL 28 3HG2 VAL 28 -8.219 -3.762 -3.756 208 H VAL 29 H VAL 29 -10.620 -3.665 0.129 209 HA VAL 29 HA VAL 29 -12.045 -6.138 1.131 210 HB VAL 29 HB VAL 29 -10.730 -3.939 2.743 211 1HG1 VAL 29 1HG1 VAL 29 -10.972 -5.538 4.610 212 2HG1 VAL 29 2HG1 VAL 29 -12.558 -5.083 3.977 213 3HG1 VAL 29 3HG1 VAL 29 -11.854 -6.668 3.563 214 1HG2 VAL 29 1HG2 VAL 29 -9.813 -6.776 2.058 215 2HG2 VAL 29 2HG2 VAL 29 -9.038 -5.281 1.510 216 3HG2 VAL 29 3HG2 VAL 29 -9.018 -5.699 3.213 217 H THR 30 H THR 30 -12.362 -2.618 1.524 218 HA THR 30 HA THR 30 -15.133 -2.964 2.274 219 HB THR 30 HB THR 30 -14.698 -0.228 1.924 220 HG1 THR 30 HG1 THR 30 -12.427 -1.236 3.293 221 1HG2 THR 30 1HG2 THR 30 -14.502 -0.200 4.382 222 2HG2 THR 30 2HG2 THR 30 -14.224 -1.959 4.395 223 3HG2 THR 30 3HG2 THR 30 -15.779 -1.318 3.861 224 H ARG 31 H ARG 31 -13.610 -2.363 -0.853 225 HA ARG 31 HA ARG 31 -15.894 -1.056 -1.931 226 1HB ARG 31 1HB ARG 31 -13.551 -1.059 -2.913 227 2HB ARG 31 2HB ARG 31 -13.851 -2.691 -3.491 228 1HG ARG 31 1HG ARG 31 -14.179 -1.051 -5.255 229 2HG ARG 31 2HG ARG 31 -15.700 -1.882 -4.920 230 1HD ARG 31 1HD ARG 31 -16.659 -0.022 -3.854 231 2HD ARG 31 2HD ARG 31 -15.093 0.684 -3.445 232 HE ARG 31 HE ARG 31 -16.660 1.172 -5.775 233 1HH1 ARG 31 1HH1 ARG 31 -13.286 1.166 -4.565 234 2HH1 ARG 31 2HH1 ARG 31 -12.681 2.110 -5.879 235 1HH2 ARG 31 1HH2 ARG 31 -15.833 2.252 -7.528 236 2HH2 ARG 31 2HH2 ARG 31 -14.145 2.649 -7.686 237 H HIS 32 H HIS 32 -15.196 -4.369 -1.539 238 HA HIS 32 HA HIS 32 -17.337 -5.429 -3.114 239 1HB HIS 32 1HB HIS 32 -15.221 -6.456 -1.378 240 2HB HIS 32 2HB HIS 32 -16.722 -7.227 -0.973 241 HD1 HIS 32 HD1 HIS 32 -17.237 -9.355 -2.434 242 HD2 HIS 32 HD2 HIS 32 -14.932 -6.377 -4.361 243 HE1 HIS 32 HE1 HIS 32 -16.651 -10.263 -4.694 244 H ARG 33 H ARG 33 -17.753 -3.426 -0.575 245 HA ARG 33 HA ARG 33 -20.285 -4.711 0.265 246 1HB ARG 33 1HB ARG 33 -18.091 -4.724 1.924 247 2HB ARG 33 2HB ARG 33 -18.745 -3.162 2.335 248 1HG ARG 33 1HG ARG 33 -19.617 -4.694 3.874 249 2HG ARG 33 2HG ARG 33 -20.967 -4.289 2.801 250 1HD ARG 33 1HD ARG 33 -21.021 -6.641 3.312 251 2HD ARG 33 2HD ARG 33 -20.583 -6.456 1.613 252 HE ARG 33 HE ARG 33 -18.174 -6.718 2.406 253 1HH1 ARG 33 1HH1 ARG 33 -20.804 -8.451 4.227 254 2HH1 ARG 33 2HH1 ARG 33 -19.714 -9.644 4.759 255 1HH2 ARG 33 1HH2 ARG 33 -16.850 -8.285 3.231 256 2HH2 ARG 33 2HH2 ARG 33 -17.498 -9.586 4.218 257 H TYR 34 H TYR 34 -18.486 -1.650 0.888 258 HA TYR 34 HA TYR 34 -20.878 -0.078 0.472 259 1HB TYR 34 1HB TYR 34 -17.949 0.600 0.884 260 2HB TYR 34 2HB TYR 34 -19.229 1.791 0.807 261 HD1 TYR 34 HD1 TYR 34 -20.936 1.966 2.641 262 HD2 TYR 34 HD2 TYR 34 -17.608 -0.759 2.842 263 HE1 TYR 34 HE1 TYR 34 -21.229 1.791 5.105 264 HE2 TYR 34 HE2 TYR 34 -17.898 -0.946 5.299 265 HH TYR 34 HH TYR 34 -19.350 -0.421 7.126 266 1HN NH2 35 1H NH2 35 -21.059 1.644 -1.112 267 2HN NH2 35 2H NH2 35 -20.169 1.622 -2.622 268 2HN ZAB 10 H AZO 10 10.434 14.065 2.275 269 2HA ZAB 10 2HA AZO 10 12.074 13.129 0.080 270 3HA ZAB 10 3HA AZO 10 13.013 13.511 1.545 271 HG2 ZAB 10 HG2 AZO 10 10.445 11.328 0.070 272 HD2 ZAB 10 HD2 AZO 10 9.842 9.121 1.018 273 HE ZAB 10 HE AZO 10 10.666 8.478 3.260 274 HG1 ZAB 10 HG1 AZO 10 12.716 12.247 3.607 275 HJ2 ZAB 10 HJ2 AZO 10 13.530 6.476 5.473 276 HK2 ZAB 10 HK2 AZO 10 14.722 4.924 3.939 277 HL ZAB 10 HL AZO 10 15.554 5.724 1.744 278 HJ1 ZAB 10 HJ1 AZO 10 13.978 9.639 2.563 279 2HM ZAB 10 2HM AZO 10 15.915 9.208 0.921 280 3HM ZAB 10 3HM AZO 10 16.055 7.587 0.268 Start of MODEL 7 1 1H GLY 1 H GLY 1 11.206 -15.347 1.621 2 1HA GLY 1 1HA GLY 1 10.005 -15.246 -0.467 3 2HA GLY 1 2HA GLY 1 8.495 -15.442 0.441 4 HA PRO 2 HA PRO 2 8.882 -10.922 -0.087 5 1HB PRO 2 1HB PRO 2 6.264 -10.329 -0.287 6 2HB PRO 2 2HB PRO 2 7.127 -11.200 -1.579 7 1HG PRO 2 1HG PRO 2 5.438 -12.415 0.648 8 2HG PRO 2 2HG PRO 2 5.286 -12.686 -1.108 9 1HD PRO 2 1HD PRO 2 6.734 -14.348 0.485 10 2HD PRO 2 2HD PRO 2 7.226 -13.968 -1.192 11 H SER 3 H SER 3 9.838 -10.745 1.987 12 HA SER 3 HA SER 3 8.319 -10.798 4.451 13 1HB SER 3 1HB SER 3 10.515 -10.236 5.419 14 2HB SER 3 2HB SER 3 10.682 -11.523 4.221 15 HG SER 3 HG SER 3 12.258 -10.138 3.708 16 H GLN 4 H GLN 4 9.187 -8.643 5.889 17 HA GLN 4 HA GLN 4 8.472 -6.177 4.425 18 1HB GLN 4 1HB GLN 4 6.934 -5.535 6.220 19 2HB GLN 4 2HB GLN 4 6.398 -7.027 5.474 20 1HG GLN 4 1HG GLN 4 7.134 -8.328 7.373 21 2HG GLN 4 2HG GLN 4 8.005 -6.955 8.074 22 1HE2 GLN 4 2HE2 GLN 4 6.922 -6.290 9.924 23 2HE2 GLN 4 1HE2 GLN 4 5.185 -6.100 9.998 24 HA PRO 5 HA PRO 5 11.863 -4.658 6.861 25 1HB PRO 5 1HB PRO 5 11.326 -2.002 7.212 26 2HB PRO 5 2HB PRO 5 11.710 -2.689 5.609 27 1HG PRO 5 1HG PRO 5 8.969 -2.120 6.771 28 2HG PRO 5 2HG PRO 5 9.595 -1.678 5.155 29 1HD PRO 5 1HD PRO 5 8.058 -3.878 5.551 30 2HD PRO 5 2HD PRO 5 9.404 -3.888 4.379 31 H THR 6 H THR 6 12.414 -3.819 9.062 32 HA THR 6 HA THR 6 10.156 -4.083 10.985 33 HB THR 6 HB THR 6 13.043 -4.813 11.518 34 HG1 THR 6 HG1 THR 6 12.732 -6.229 10.023 35 1HG2 THR 6 1HG2 THR 6 10.370 -5.637 12.736 36 2HG2 THR 6 2HG2 THR 6 11.712 -4.803 13.542 37 3HG2 THR 6 3HG2 THR 6 11.902 -6.487 13.055 38 H TYR 7 H TYR 7 11.847 -1.657 9.730 39 HA TYR 7 HA TYR 7 12.013 -0.156 12.330 40 1HB TYR 7 1HB TYR 7 13.798 -0.018 9.884 41 2HB TYR 7 2HB TYR 7 13.748 1.227 11.119 42 HD1 TYR 7 HD1 TYR 7 14.994 -2.132 10.346 43 HD2 TYR 7 HD2 TYR 7 14.444 0.863 13.411 44 HE1 TYR 7 HE1 TYR 7 16.804 -3.156 11.696 45 HE2 TYR 7 HE2 TYR 7 16.163 -0.224 14.803 46 HH TYR 7 HH TYR 7 17.537 -2.041 15.018 47 HA PRO 8 HA PRO 8 8.885 1.640 9.410 48 1HB PRO 8 1HB PRO 8 6.861 2.083 11.296 49 2HB PRO 8 2HB PRO 8 7.009 0.651 10.243 50 1HG PRO 8 1HG PRO 8 7.889 0.969 13.091 51 2HG PRO 8 2HG PRO 8 7.079 -0.432 12.314 52 1HD PRO 8 1HD PRO 8 9.760 -0.411 12.764 53 2HD PRO 8 2HD PRO 8 9.070 -1.144 11.284 54 H GLY 9 H GLY 9 8.414 3.762 9.129 55 1HA GLY 9 1HA GLY 9 8.068 5.974 10.321 56 2HA GLY 9 2HA GLY 9 9.718 5.712 10.918 57 HA PRO 11 HA PRO 11 14.645 8.157 -1.622 58 1HB PRO 11 1HB PRO 11 13.568 5.909 -2.675 59 2HB PRO 11 2HB PRO 11 15.319 6.021 -2.331 60 1HG PRO 11 1HG PRO 11 13.156 4.685 -0.724 61 2HG PRO 11 2HG PRO 11 14.798 4.084 -1.097 62 1HD PRO 11 1HD PRO 11 14.006 5.453 1.257 63 2HD PRO 11 2HD PRO 11 15.686 5.249 0.723 64 H VAL 12 H VAL 12 12.318 7.926 -2.860 65 HA VAL 12 HA VAL 12 10.243 8.400 -0.765 66 HB VAL 12 HB VAL 12 10.279 9.729 -3.479 67 1HG1 VAL 12 1HG1 VAL 12 8.880 10.339 -0.826 68 2HG1 VAL 12 2HG1 VAL 12 8.821 11.368 -2.269 69 3HG1 VAL 12 3HG1 VAL 12 8.113 9.749 -2.316 70 1HG2 VAL 12 1HG2 VAL 12 11.452 10.776 -0.863 71 2HG2 VAL 12 2HG2 VAL 12 12.331 10.489 -2.385 72 3HG2 VAL 12 3HG2 VAL 12 11.123 11.767 -2.300 73 H GLU 13 H GLU 13 11.019 6.560 -3.688 74 HA GLU 13 HA GLU 13 8.426 5.798 -4.424 75 1HB GLU 13 1HB GLU 13 10.446 5.416 -5.721 76 2HB GLU 13 2HB GLU 13 11.041 4.230 -4.551 77 1HG GLU 13 1HG GLU 13 9.352 2.647 -5.164 78 2HG GLU 13 2HG GLU 13 8.380 3.872 -5.986 79 H ASP 14 H ASP 14 10.512 4.446 -1.835 80 HA ASP 14 HA ASP 14 8.758 2.298 -1.230 81 1HB ASP 14 1HB ASP 14 10.112 1.704 0.447 82 2HB ASP 14 2HB ASP 14 11.232 2.624 -0.539 83 H LEU 15 H LEU 15 8.670 5.678 -0.322 84 HA LEU 15 HA LEU 15 6.858 5.461 1.885 85 1HB LEU 15 1HB LEU 15 8.635 7.325 0.950 86 2HB LEU 15 2HB LEU 15 7.178 7.945 0.218 87 HG LEU 15 HG LEU 15 7.616 9.026 2.237 88 1HD1 LEU 15 1HD1 LEU 15 5.532 8.767 3.482 89 2HD1 LEU 15 2HD1 LEU 15 5.278 7.148 2.796 90 3HD1 LEU 15 3HD1 LEU 15 5.216 8.586 1.752 91 1HD2 LEU 15 1HD2 LEU 15 7.516 6.395 3.769 92 2HD2 LEU 15 2HD2 LEU 15 7.812 8.013 4.430 93 3HD2 LEU 15 3HD2 LEU 15 8.991 7.284 3.336 94 H ILE 16 H ILE 16 6.639 6.406 -1.555 95 HA ILE 16 HA ILE 16 3.860 6.862 -1.690 96 HB ILE 16 HB ILE 16 5.877 5.943 -3.779 97 1HG1 ILE 16 1HG1 ILE 16 6.392 8.138 -2.852 98 2HG1 ILE 16 2HG1 ILE 16 5.908 8.258 -4.526 99 1HG2 ILE 16 1HG2 ILE 16 4.270 6.794 -5.495 100 2HG2 ILE 16 2HG2 ILE 16 3.773 5.298 -4.694 101 3HG2 ILE 16 3HG2 ILE 16 3.015 6.834 -4.241 102 1HD1 ILE 16 1HD1 ILE 16 5.017 10.093 -3.161 103 2HD1 ILE 16 2HD1 ILE 16 3.696 9.127 -3.834 104 3HD1 ILE 16 3HD1 ILE 16 4.158 8.959 -2.121 105 H ARG 17 H ARG 17 5.656 3.778 -2.332 106 HA ARG 17 HA ARG 17 3.203 2.371 -2.836 107 1HB ARG 17 1HB ARG 17 4.454 0.314 -2.732 108 2HB ARG 17 2HB ARG 17 5.369 1.530 -3.635 109 1HG ARG 17 1HG ARG 17 6.628 2.004 -1.485 110 2HG ARG 17 2HG ARG 17 5.880 0.564 -0.787 111 1HD ARG 17 1HD ARG 17 7.693 0.655 -3.241 112 2HD ARG 17 2HD ARG 17 8.156 0.155 -1.609 113 HE ARG 17 HE ARG 17 5.959 -1.254 -3.034 114 1HH1 ARG 17 1HH1 ARG 17 9.374 -1.401 -2.067 115 2HH1 ARG 17 2HH1 ARG 17 9.429 -3.128 -2.051 116 1HH2 ARG 17 1HH2 ARG 17 5.973 -3.524 -2.858 117 2HH2 ARG 17 2HH2 ARG 17 7.451 -4.349 -2.437 118 H PHE 18 H PHE 18 4.998 2.756 0.225 119 HA PHE 18 HA PHE 18 3.316 1.102 1.781 120 1HB PHE 18 1HB PHE 18 5.491 1.934 2.468 121 2HB PHE 18 2HB PHE 18 4.949 3.600 2.386 122 HD1 PHE 18 HD1 PHE 18 3.454 4.552 4.127 123 HD2 PHE 18 HD2 PHE 18 5.111 0.587 4.425 124 HE1 PHE 18 HE1 PHE 18 3.130 4.596 6.594 125 HE2 PHE 18 HE2 PHE 18 4.807 0.638 6.878 126 HZ PHE 18 HZ PHE 18 3.845 2.653 7.967 127 H TYR 19 H TYR 19 2.874 4.469 0.694 128 HA TYR 19 HA TYR 19 0.633 4.962 2.489 129 1HB TYR 19 1HB TYR 19 2.214 6.656 1.324 130 2HB TYR 19 2HB TYR 19 1.231 6.454 -0.100 131 HD1 TYR 19 HD1 TYR 19 -1.275 7.053 -0.003 132 HD2 TYR 19 HD2 TYR 19 1.507 8.037 3.156 133 HE1 TYR 19 HE1 TYR 19 -2.814 8.804 0.801 134 HE2 TYR 19 HE2 TYR 19 -0.051 9.785 3.969 135 HH TYR 19 HH TYR 19 -3.063 10.119 3.447 136 H ASN 20 H ASN 20 1.030 4.186 -0.900 137 HA ASN 20 HA ASN 20 -1.755 4.202 -1.640 138 1HB ASN 20 1HB ASN 20 0.166 4.512 -3.207 139 2HB ASN 20 2HB ASN 20 0.593 2.809 -2.943 140 1HD2 ASN 20 2HD2 ASN 20 -0.326 1.333 -4.357 141 2HD2 ASN 20 1HD2 ASN 20 -1.668 1.716 -5.416 142 H ASP 21 H ASP 21 0.409 1.586 -0.448 143 HA ASP 21 HA ASP 21 -1.246 -0.611 -1.117 144 1HB ASP 21 1HB ASP 21 0.959 -0.092 0.859 145 2HB ASP 21 2HB ASP 21 -0.084 -1.481 1.146 146 H LEU 22 H LEU 22 -1.235 1.549 1.712 147 HA LEU 22 HA LEU 22 -3.318 0.256 3.165 148 1HB LEU 22 1HB LEU 22 -2.466 3.181 3.116 149 2HB LEU 22 2HB LEU 22 -3.547 2.483 4.312 150 HG LEU 22 HG LEU 22 -0.731 1.417 3.933 151 1HD1 LEU 22 1HD1 LEU 22 -0.542 3.787 4.437 152 2HD1 LEU 22 2HD1 LEU 22 -0.104 2.852 5.861 153 3HD1 LEU 22 3HD1 LEU 22 -1.695 3.637 5.786 154 1HD2 LEU 22 1HD2 LEU 22 -1.059 0.538 6.184 155 2HD2 LEU 22 2HD2 LEU 22 -2.345 -0.035 5.142 156 3HD2 LEU 22 3HD2 LEU 22 -2.687 1.281 6.274 157 H GLN 23 H GLN 23 -3.404 2.243 0.283 158 HA GLN 23 HA GLN 23 -6.220 3.007 0.631 159 1HB GLN 23 1HB GLN 23 -4.556 3.133 -1.946 160 2HB GLN 23 2HB GLN 23 -6.122 3.862 -1.644 161 1HG GLN 23 1HG GLN 23 -3.484 4.636 -0.372 162 2HG GLN 23 2HG GLN 23 -4.472 5.584 -1.494 163 1HE2 GLN 23 2HE2 GLN 23 -3.575 5.693 1.590 164 2HE2 GLN 23 1HE2 GLN 23 -5.085 6.285 2.307 165 H GLN 24 H GLN 24 -4.259 0.667 -1.243 166 HA GLN 24 HA GLN 24 -6.398 -0.533 -2.617 167 1HB GLN 24 1HB GLN 24 -3.927 -0.825 -3.062 168 2HB GLN 24 2HB GLN 24 -3.891 -1.986 -1.733 169 1HG GLN 24 1HG GLN 24 -5.570 -3.387 -2.820 170 2HG GLN 24 2HG GLN 24 -5.817 -2.188 -4.094 171 1HE2 GLN 24 2HE2 GLN 24 -3.593 -1.577 -5.230 172 2HE2 GLN 24 1HE2 GLN 24 -2.712 -3.008 -5.789 173 H TYR 25 H TYR 25 -5.050 -1.193 0.568 174 HA TYR 25 HA TYR 25 -6.628 -3.477 1.171 175 1HB TYR 25 1HB TYR 25 -4.608 -2.582 2.443 176 2HB TYR 25 2HB TYR 25 -5.684 -1.392 3.186 177 HD1 TYR 25 HD1 TYR 25 -6.712 -2.002 5.232 178 HD2 TYR 25 HD2 TYR 25 -5.470 -5.099 2.502 179 HE1 TYR 25 HE1 TYR 25 -7.425 -3.735 6.863 180 HE2 TYR 25 HE2 TYR 25 -6.217 -6.824 4.104 181 HH TYR 25 HH TYR 25 -6.696 -7.128 6.395 182 H LEU 26 H LEU 26 -7.674 -0.197 0.933 183 HA LEU 26 HA LEU 26 -10.223 -0.903 2.243 184 1HB LEU 26 1HB LEU 26 -9.137 1.799 1.456 185 2HB LEU 26 2HB LEU 26 -10.699 1.523 2.236 186 HG LEU 26 HG LEU 26 -7.996 0.806 3.442 187 1HD1 LEU 26 1HD1 LEU 26 -9.880 3.099 4.133 188 2HD1 LEU 26 2HD1 LEU 26 -8.327 3.247 3.246 189 3HD1 LEU 26 3HD1 LEU 26 -8.344 2.716 4.928 190 1HD2 LEU 26 1HD2 LEU 26 -10.801 0.658 4.595 191 2HD2 LEU 26 2HD2 LEU 26 -9.310 0.580 5.568 192 3HD2 LEU 26 3HD2 LEU 26 -9.639 -0.665 4.372 193 H ASN 27 H ASN 27 -8.800 -0.386 -0.728 194 HA ASN 27 HA ASN 27 -11.276 -0.108 -2.184 195 1HB ASN 27 1HB ASN 27 -8.810 0.905 -2.560 196 2HB ASN 27 2HB ASN 27 -8.544 -0.615 -3.427 197 1HD2 ASN 27 2HD2 ASN 27 -8.232 1.814 -4.699 198 2HD2 ASN 27 1HD2 ASN 27 -9.708 2.168 -5.615 199 H VAL 28 H VAL 28 -9.431 -2.751 -1.231 200 HA VAL 28 HA VAL 28 -10.893 -4.448 -3.183 201 HB VAL 28 HB VAL 28 -8.208 -4.869 -1.783 202 1HG1 VAL 28 1HG1 VAL 28 -9.547 -6.649 -3.879 203 2HG1 VAL 28 2HG1 VAL 28 -7.865 -6.817 -3.307 204 3HG1 VAL 28 3HG1 VAL 28 -9.196 -7.075 -2.187 205 1HG2 VAL 28 1HG2 VAL 28 -7.231 -4.682 -4.078 206 2HG2 VAL 28 2HG2 VAL 28 -8.841 -4.289 -4.719 207 3HG2 VAL 28 3HG2 VAL 28 -8.026 -3.191 -3.582 208 H VAL 29 H VAL 29 -10.645 -3.657 0.040 209 HA VAL 29 HA VAL 29 -12.056 -6.224 0.744 210 HB VAL 29 HB VAL 29 -10.729 -4.283 2.631 211 1HG1 VAL 29 1HG1 VAL 29 -12.549 -5.693 3.627 212 2HG1 VAL 29 2HG1 VAL 29 -11.726 -7.145 3.033 213 3HG1 VAL 29 3HG1 VAL 29 -10.950 -6.123 4.253 214 1HG2 VAL 29 1HG2 VAL 29 -8.976 -6.041 2.854 215 2HG2 VAL 29 2HG2 VAL 29 -9.708 -6.909 1.481 216 3HG2 VAL 29 3HG2 VAL 29 -9.003 -5.283 1.264 217 H THR 30 H THR 30 -12.264 -2.786 1.639 218 HA THR 30 HA THR 30 -14.988 -3.125 2.401 219 HB THR 30 HB THR 30 -14.712 -0.393 1.740 220 HG1 THR 30 HG1 THR 30 -12.502 -0.540 1.679 221 1HG2 THR 30 1HG2 THR 30 -15.902 -1.349 3.727 222 2HG2 THR 30 2HG2 THR 30 -14.815 -0.007 4.119 223 3HG2 THR 30 3HG2 THR 30 -14.332 -1.671 4.466 224 H ARG 31 H ARG 31 -13.572 -2.206 -0.723 225 HA ARG 31 HA ARG 31 -16.076 -1.572 -1.971 226 1HB ARG 31 1HB ARG 31 -13.575 -1.152 -2.715 227 2HB ARG 31 2HB ARG 31 -13.702 -2.777 -3.395 228 1HG ARG 31 1HG ARG 31 -14.051 -1.297 -5.161 229 2HG ARG 31 2HG ARG 31 -15.657 -1.922 -4.807 230 1HD ARG 31 1HD ARG 31 -16.259 0.151 -3.656 231 2HD ARG 31 2HD ARG 31 -14.586 0.726 -3.734 232 HE ARG 31 HE ARG 31 -14.705 0.897 -6.103 233 1HH1 ARG 31 1HH1 ARG 31 -17.887 0.850 -4.450 234 2HH1 ARG 31 2HH1 ARG 31 -18.730 1.514 -5.806 235 1HH2 ARG 31 1HH2 ARG 31 -15.909 1.732 -7.939 236 2HH2 ARG 31 2HH2 ARG 31 -17.607 2.017 -7.733 237 H HIS 32 H HIS 32 -14.903 -4.573 -0.880 238 HA HIS 32 HA HIS 32 -16.676 -6.080 -2.696 239 1HB HIS 32 1HB HIS 32 -14.005 -6.454 -2.439 240 2HB HIS 32 2HB HIS 32 -14.585 -7.555 -1.190 241 HD1 HIS 32 HD1 HIS 32 -16.368 -9.533 -2.186 242 HD2 HIS 32 HD2 HIS 32 -14.514 -6.941 -4.954 243 HE1 HIS 32 HE1 HIS 32 -16.921 -10.436 -4.487 244 H ARG 33 H ARG 33 -16.859 -4.725 0.255 245 HA ARG 33 HA ARG 33 -18.653 -6.865 1.194 246 1HB ARG 33 1HB ARG 33 -16.387 -7.086 2.390 247 2HB ARG 33 2HB ARG 33 -16.703 -5.518 3.110 248 1HG ARG 33 1HG ARG 33 -17.389 -7.192 4.698 249 2HG ARG 33 2HG ARG 33 -18.850 -6.439 4.062 250 1HD ARG 33 1HD ARG 33 -18.820 -8.504 2.377 251 2HD ARG 33 2HD ARG 33 -17.732 -9.214 3.558 252 HE ARG 33 HE ARG 33 -20.594 -8.577 3.795 253 1HH1 ARG 33 1HH1 ARG 33 -17.667 -9.723 5.526 254 2HH1 ARG 33 2HH1 ARG 33 -18.570 -10.302 6.871 255 1HH2 ARG 33 1HH2 ARG 33 -21.754 -9.602 5.591 256 2HH2 ARG 33 2HH2 ARG 33 -20.843 -10.101 6.961 257 H TYR 34 H TYR 34 -17.548 -3.473 1.844 258 HA TYR 34 HA TYR 34 -20.212 -2.826 2.938 259 1HB TYR 34 1HB TYR 34 -18.220 -1.810 3.951 260 2HB TYR 34 2HB TYR 34 -17.709 -1.193 2.373 261 HD1 TYR 34 HD1 TYR 34 -17.897 1.124 2.225 262 HD2 TYR 34 HD2 TYR 34 -20.950 -1.083 4.360 263 HE1 TYR 34 HE1 TYR 34 -19.104 3.214 2.652 264 HE2 TYR 34 HE2 TYR 34 -22.179 1.022 4.753 265 HH TYR 34 HH TYR 34 -20.830 4.182 3.782 266 1HN NH2 35 1H NH2 35 -18.208 -2.474 0.007 267 2HN NH2 35 2H NH2 35 -19.558 -2.231 -1.062 268 2HN ZAB 10 H AZO 10 11.400 6.249 9.522 269 2HA ZAB 10 2HA AZO 10 11.567 5.871 6.746 270 3HA ZAB 10 3HA AZO 10 10.808 7.455 6.958 271 HG2 ZAB 10 HG2 AZO 10 13.676 5.607 8.608 272 HD2 ZAB 10 HD2 AZO 10 15.942 6.590 8.824 273 HE ZAB 10 HE AZO 10 16.400 8.856 7.927 274 HG1 ZAB 10 HG1 AZO 10 12.308 9.185 6.631 275 HJ2 ZAB 10 HJ2 AZO 10 17.869 11.508 5.446 276 HK2 ZAB 10 HK2 AZO 10 19.214 10.532 3.624 277 HL ZAB 10 HL AZO 10 18.281 8.715 2.205 278 HJ1 ZAB 10 HJ1 AZO 10 14.594 8.899 4.433 279 2HM ZAB 10 2HM AZO 10 16.590 6.859 2.149 280 3HM ZAB 10 3HM AZO 10 15.028 7.047 2.949 Start of MODEL 8 1 1H GLY 1 H GLY 1 -0.165 -6.408 14.745 2 1HA GLY 1 1HA GLY 1 0.178 -7.850 12.182 3 2HA GLY 1 2HA GLY 1 -0.332 -6.149 12.295 4 HA PRO 2 HA PRO 2 4.408 -6.572 12.670 5 1HB PRO 2 1HB PRO 2 5.355 -6.716 10.123 6 2HB PRO 2 2HB PRO 2 4.782 -8.176 10.986 7 1HG PRO 2 1HG PRO 2 3.233 -6.445 9.022 8 2HG PRO 2 2HG PRO 2 3.423 -8.230 9.002 9 1HD PRO 2 1HD PRO 2 1.250 -6.971 10.108 10 2HD PRO 2 2HD PRO 2 1.906 -8.495 10.777 11 H SER 3 H SER 3 6.021 -4.848 11.597 12 HA SER 3 HA SER 3 4.971 -2.637 10.212 13 1HB SER 3 1HB SER 3 5.184 -0.904 11.988 14 2HB SER 3 2HB SER 3 3.806 -1.982 12.194 15 HG SER 3 HG SER 3 6.235 -1.851 13.615 16 H GLN 4 H GLN 4 6.748 -0.868 10.086 17 HA GLN 4 HA GLN 4 9.464 -1.910 10.671 18 1HB GLN 4 1HB GLN 4 8.321 -0.995 7.983 19 2HB GLN 4 2HB GLN 4 10.044 -1.106 8.299 20 1HG GLN 4 1HG GLN 4 9.816 -3.518 8.832 21 2HG GLN 4 2HG GLN 4 8.091 -3.438 8.515 22 1HE2 GLN 4 2HE2 GLN 4 11.273 -3.014 6.896 23 2HE2 GLN 4 1HE2 GLN 4 10.604 -3.450 5.320 24 HA PRO 5 HA PRO 5 10.151 2.248 11.972 25 1HB PRO 5 1HB PRO 5 12.807 2.702 11.398 26 2HB PRO 5 2HB PRO 5 12.256 1.561 12.660 27 1HG PRO 5 1HG PRO 5 13.014 0.914 9.796 28 2HG PRO 5 2HG PRO 5 13.603 0.132 11.301 29 1HD PRO 5 1HD PRO 5 11.579 -0.945 9.880 30 2HD PRO 5 2HD PRO 5 11.510 -0.941 11.666 31 H THR 6 H THR 6 10.799 4.484 11.253 32 HA THR 6 HA THR 6 10.065 4.885 8.432 33 HB THR 6 HB THR 6 10.377 7.021 10.525 34 HG1 THR 6 HG1 THR 6 8.225 5.201 10.218 35 1HG2 THR 6 1HG2 THR 6 8.514 6.696 8.138 36 2HG2 THR 6 2HG2 THR 6 9.865 7.844 8.287 37 3HG2 THR 6 3HG2 THR 6 8.436 8.019 9.304 38 H TYR 7 H TYR 7 11.249 6.619 7.238 39 HA TYR 7 HA TYR 7 14.072 6.978 7.978 40 1HB TYR 7 1HB TYR 7 12.928 5.639 5.508 41 2HB TYR 7 2HB TYR 7 14.406 6.562 5.373 42 HD1 TYR 7 HD1 TYR 7 12.879 3.550 6.903 43 HD2 TYR 7 HD2 TYR 7 16.491 5.873 6.442 44 HE1 TYR 7 HE1 TYR 7 14.198 1.674 7.815 45 HE2 TYR 7 HE2 TYR 7 17.817 4.010 7.338 46 HH TYR 7 HH TYR 7 16.480 0.839 7.789 47 HA PRO 8 HA PRO 8 13.202 11.080 6.693 48 1HB PRO 8 1HB PRO 8 15.613 11.899 5.512 49 2HB PRO 8 2HB PRO 8 15.258 11.822 7.231 50 1HG PRO 8 1HG PRO 8 16.833 9.924 5.554 51 2HG PRO 8 2HG PRO 8 17.015 10.303 7.280 52 1HD PRO 8 1HD PRO 8 15.803 8.023 6.235 53 2HD PRO 8 2HD PRO 8 15.546 8.653 7.883 54 H GLY 9 H GLY 9 11.609 10.265 5.210 55 1HA GLY 9 1HA GLY 9 12.100 10.520 2.326 56 2HA GLY 9 2HA GLY 9 10.827 9.557 3.113 57 HA PRO 11 HA PRO 11 13.336 7.350 -1.281 58 1HB PRO 11 1HB PRO 11 12.016 6.808 1.170 59 2HB PRO 11 2HB PRO 11 13.536 6.079 0.588 60 1HG PRO 11 1HG PRO 11 13.052 8.301 2.531 61 2HG PRO 11 2HG PRO 11 14.364 7.092 2.531 62 1HD PRO 11 1HD PRO 11 14.649 9.699 1.702 63 2HD PRO 11 2HD PRO 11 15.647 8.370 1.036 64 H VAL 12 H VAL 12 11.480 7.435 -2.342 65 HA VAL 12 HA VAL 12 9.134 8.886 -1.343 66 HB VAL 12 HB VAL 12 10.505 9.568 -3.984 67 1HG1 VAL 12 1HG1 VAL 12 8.510 11.069 -4.389 68 2HG1 VAL 12 2HG1 VAL 12 8.141 9.348 -4.518 69 3HG1 VAL 12 3HG1 VAL 12 7.679 10.240 -3.060 70 1HG2 VAL 12 1HG2 VAL 12 10.316 11.897 -3.158 71 2HG2 VAL 12 2HG2 VAL 12 9.611 11.299 -1.634 72 3HG2 VAL 12 3HG2 VAL 12 11.284 10.892 -2.085 73 H GLU 13 H GLU 13 10.655 6.811 -3.923 74 HA GLU 13 HA GLU 13 8.263 5.858 -5.043 75 1HB GLU 13 1HB GLU 13 10.636 5.580 -5.881 76 2HB GLU 13 2HB GLU 13 10.894 4.336 -4.651 77 1HG GLU 13 1HG GLU 13 9.117 2.955 -5.597 78 2HG GLU 13 2HG GLU 13 8.673 4.243 -6.720 79 H ASP 14 H ASP 14 10.133 4.666 -2.282 80 HA ASP 14 HA ASP 14 8.513 2.374 -1.730 81 1HB ASP 14 1HB ASP 14 9.811 2.139 0.232 82 2HB ASP 14 2HB ASP 14 10.912 2.661 -1.045 83 H LEU 15 H LEU 15 8.602 5.713 -0.654 84 HA LEU 15 HA LEU 15 6.671 5.585 1.412 85 1HB LEU 15 1HB LEU 15 8.369 7.419 0.810 86 2HB LEU 15 2HB LEU 15 7.181 8.025 -0.344 87 HG LEU 15 HG LEU 15 6.564 7.660 2.613 88 1HD1 LEU 15 1HD1 LEU 15 8.502 9.167 2.361 89 2HD1 LEU 15 2HD1 LEU 15 7.071 10.054 2.886 90 3HD1 LEU 15 3HD1 LEU 15 7.597 10.152 1.190 91 1HD2 LEU 15 1HD2 LEU 15 5.260 9.346 0.428 92 2HD2 LEU 15 2HD2 LEU 15 4.852 9.428 2.152 93 3HD2 LEU 15 3HD2 LEU 15 4.541 7.951 1.252 94 H ILE 16 H ILE 16 6.247 6.565 -2.043 95 HA ILE 16 HA ILE 16 3.449 6.865 -1.928 96 HB ILE 16 HB ILE 16 5.115 5.992 -4.335 97 1HG1 ILE 16 1HG1 ILE 16 6.024 8.090 -3.807 98 2HG1 ILE 16 2HG1 ILE 16 4.865 8.426 -5.041 99 1HG2 ILE 16 1HG2 ILE 16 2.730 5.582 -4.746 100 2HG2 ILE 16 2HG2 ILE 16 2.310 7.206 -4.173 101 3HG2 ILE 16 3HG2 ILE 16 3.237 6.983 -5.668 102 1HD1 ILE 16 1HD1 ILE 16 3.254 9.218 -3.283 103 2HD1 ILE 16 2HD1 ILE 16 4.514 8.919 -2.056 104 3HD1 ILE 16 3HD1 ILE 16 4.791 10.107 -3.324 105 H ARG 17 H ARG 17 5.320 3.884 -2.894 106 HA ARG 17 HA ARG 17 2.844 2.453 -3.210 107 1HB ARG 17 1HB ARG 17 4.109 0.410 -3.412 108 2HB ARG 17 2HB ARG 17 4.897 1.687 -4.326 109 1HG ARG 17 1HG ARG 17 6.426 2.017 -2.300 110 2HG ARG 17 2HG ARG 17 5.716 0.544 -1.635 111 1HD ARG 17 1HD ARG 17 6.448 -0.599 -3.824 112 2HD ARG 17 2HD ARG 17 7.363 0.870 -4.176 113 HE ARG 17 HE ARG 17 8.955 0.208 -2.684 114 1HH1 ARG 17 1HH1 ARG 17 6.098 -1.884 -2.250 115 2HH1 ARG 17 2HH1 ARG 17 6.724 -2.665 -0.834 116 1HH2 ARG 17 1HH2 ARG 17 9.810 -0.888 -0.776 117 2HH2 ARG 17 2HH2 ARG 17 8.909 -2.209 -0.105 118 H PHE 18 H PHE 18 4.988 2.699 -0.353 119 HA PHE 18 HA PHE 18 3.569 0.854 1.248 120 1HB PHE 18 1HB PHE 18 5.778 1.811 1.764 121 2HB PHE 18 2HB PHE 18 5.078 3.415 1.934 122 HD1 PHE 18 HD1 PHE 18 3.567 3.939 3.891 123 HD2 PHE 18 HD2 PHE 18 5.785 0.240 3.572 124 HE1 PHE 18 HE1 PHE 18 3.254 3.534 6.312 125 HE2 PHE 18 HE2 PHE 18 5.506 -0.125 6.004 126 HZ PHE 18 HZ PHE 18 4.195 1.499 7.367 127 H TYR 19 H TYR 19 2.958 4.271 0.478 128 HA TYR 19 HA TYR 19 0.870 4.620 2.433 129 1HB TYR 19 1HB TYR 19 2.317 6.404 1.320 130 2HB TYR 19 2HB TYR 19 1.338 6.227 -0.119 131 HD1 TYR 19 HD1 TYR 19 -0.577 7.628 -0.322 132 HD2 TYR 19 HD2 TYR 19 0.999 6.714 3.597 133 HE1 TYR 19 HE1 TYR 19 -2.168 9.224 0.681 134 HE2 TYR 19 HE2 TYR 19 -0.601 8.302 4.614 135 HH TYR 19 HH TYR 19 -1.830 10.352 3.857 136 H ASN 20 H ASN 20 0.898 4.245 -1.083 137 HA ASN 20 HA ASN 20 -1.912 4.118 -1.505 138 1HB ASN 20 1HB ASN 20 -0.308 4.418 -3.340 139 2HB ASN 20 2HB ASN 20 0.268 2.753 -3.118 140 1HD2 ASN 20 2HD2 ASN 20 -0.604 1.383 -4.672 141 2HD2 ASN 20 1HD2 ASN 20 -2.202 1.583 -5.358 142 H ASP 21 H ASP 21 0.358 1.610 -0.468 143 HA ASP 21 HA ASP 21 -1.247 -0.644 -0.909 144 1HB ASP 21 1HB ASP 21 1.222 -0.114 0.434 145 2HB ASP 21 2HB ASP 21 0.202 -0.855 1.635 146 H LEU 22 H LEU 22 -1.275 1.686 1.769 147 HA LEU 22 HA LEU 22 -3.221 0.280 3.386 148 1HB LEU 22 1HB LEU 22 -2.448 3.227 3.289 149 2HB LEU 22 2HB LEU 22 -3.563 2.552 4.458 150 HG LEU 22 HG LEU 22 -0.694 1.569 4.226 151 1HD1 LEU 22 1HD1 LEU 22 -1.861 3.682 6.093 152 2HD1 LEU 22 2HD1 LEU 22 -0.747 3.994 4.724 153 3HD1 LEU 22 3HD1 LEU 22 -0.199 3.054 6.111 154 1HD2 LEU 22 1HD2 LEU 22 -2.811 1.365 6.437 155 2HD2 LEU 22 2HD2 LEU 22 -1.143 0.768 6.535 156 3HD2 LEU 22 3HD2 LEU 22 -2.255 0.031 5.392 157 H GLN 23 H GLN 23 -3.404 2.619 0.714 158 HA GLN 23 HA GLN 23 -6.270 3.107 1.061 159 1HB GLN 23 1HB GLN 23 -4.366 3.698 -1.251 160 2HB GLN 23 2HB GLN 23 -6.107 3.911 -1.354 161 1HG GLN 23 1HG GLN 23 -5.435 6.029 -0.755 162 2HG GLN 23 2HG GLN 23 -5.892 5.363 0.807 163 1HE2 GLN 23 2HE2 GLN 23 -4.180 5.054 2.395 164 2HE2 GLN 23 1HE2 GLN 23 -2.510 5.389 1.960 165 H GLN 24 H GLN 24 -4.223 0.930 -0.939 166 HA GLN 24 HA GLN 24 -6.317 -0.284 -2.372 167 1HB GLN 24 1HB GLN 24 -3.916 -0.494 -2.935 168 2HB GLN 24 2HB GLN 24 -3.687 -1.537 -1.524 169 1HG GLN 24 1HG GLN 24 -5.140 -3.244 -2.442 170 2HG GLN 24 2HG GLN 24 -5.717 -2.149 -3.702 171 1HE2 GLN 24 2HE2 GLN 24 -2.893 -4.198 -2.727 172 2HE2 GLN 24 1HE2 GLN 24 -2.378 -4.380 -4.367 173 H TYR 25 H TYR 25 -4.846 -1.130 0.718 174 HA TYR 25 HA TYR 25 -6.457 -3.419 1.325 175 1HB TYR 25 1HB TYR 25 -4.406 -2.527 2.640 176 2HB TYR 25 2HB TYR 25 -5.510 -1.379 3.390 177 HD1 TYR 25 HD1 TYR 25 -6.995 -2.132 5.217 178 HD2 TYR 25 HD2 TYR 25 -4.770 -4.958 2.853 179 HE1 TYR 25 HE1 TYR 25 -7.630 -3.926 6.796 180 HE2 TYR 25 HE2 TYR 25 -5.422 -6.773 4.420 181 HH TYR 25 HH TYR 25 -7.473 -6.289 7.270 182 H LEU 26 H LEU 26 -7.304 0.030 1.632 183 HA LEU 26 HA LEU 26 -9.833 -0.862 2.816 184 1HB LEU 26 1HB LEU 26 -8.828 1.955 2.268 185 2HB LEU 26 2HB LEU 26 -10.288 1.563 3.183 186 HG LEU 26 HG LEU 26 -7.491 0.713 3.993 187 1HD1 LEU 26 1HD1 LEU 26 -7.814 3.197 4.004 188 2HD1 LEU 26 2HD1 LEU 26 -7.539 2.527 5.621 189 3HD1 LEU 26 3HD1 LEU 26 -9.179 2.987 5.110 190 1HD2 LEU 26 1HD2 LEU 26 -10.058 0.642 5.594 191 2HD2 LEU 26 2HD2 LEU 26 -8.438 0.208 6.175 192 3HD2 LEU 26 3HD2 LEU 26 -9.203 -0.770 4.925 193 H ASN 27 H ASN 27 -8.806 -0.562 -0.301 194 HA ASN 27 HA ASN 27 -11.490 0.186 -1.246 195 1HB ASN 27 1HB ASN 27 -8.640 0.271 -2.289 196 2HB ASN 27 2HB ASN 27 -9.911 0.024 -3.422 197 1HD2 ASN 27 2HD2 ASN 27 -8.437 2.285 -1.273 198 2HD2 ASN 27 1HD2 ASN 27 -9.309 3.723 -1.751 199 H VAL 28 H VAL 28 -9.146 -2.424 -1.156 200 HA VAL 28 HA VAL 28 -10.763 -3.987 -3.105 201 HB VAL 28 HB VAL 28 -8.295 -4.696 -1.449 202 1HG1 VAL 28 1HG1 VAL 28 -9.675 -6.304 -3.651 203 2HG1 VAL 28 2HG1 VAL 28 -8.084 -6.674 -2.944 204 3HG1 VAL 28 3HG1 VAL 28 -9.531 -6.770 -1.940 205 1HG2 VAL 28 1HG2 VAL 28 -7.112 -4.538 -3.595 206 2HG2 VAL 28 2HG2 VAL 28 -8.625 -4.128 -4.436 207 3HG2 VAL 28 3HG2 VAL 28 -7.921 -3.004 -3.259 208 H VAL 29 H VAL 29 -10.365 -3.563 0.349 209 HA VAL 29 HA VAL 29 -11.863 -5.934 1.032 210 HB VAL 29 HB VAL 29 -10.728 -3.585 2.522 211 1HG1 VAL 29 1HG1 VAL 29 -12.798 -4.032 3.765 212 2HG1 VAL 29 2HG1 VAL 29 -12.411 -5.763 3.803 213 3HG1 VAL 29 3HG1 VAL 29 -11.389 -4.607 4.670 214 1HG2 VAL 29 1HG2 VAL 29 -10.243 -6.592 2.699 215 2HG2 VAL 29 2HG2 VAL 29 -9.237 -5.432 1.801 216 3HG2 VAL 29 3HG2 VAL 29 -9.341 -5.324 3.564 217 H THR 30 H THR 30 -12.738 -2.502 0.607 218 HA THR 30 HA THR 30 -15.437 -2.910 1.462 219 HB THR 30 HB THR 30 -15.655 -0.686 0.335 220 HG1 THR 30 HG1 THR 30 -13.122 0.055 0.382 221 1HG2 THR 30 1HG2 THR 30 -13.566 -0.910 2.571 222 2HG2 THR 30 2HG2 THR 30 -15.333 -0.840 2.792 223 3HG2 THR 30 3HG2 THR 30 -14.471 0.567 2.157 224 H ARG 31 H ARG 31 -13.835 -2.483 -1.695 225 HA ARG 31 HA ARG 31 -16.245 -2.697 -3.168 226 1HB ARG 31 1HB ARG 31 -13.406 -3.301 -4.026 227 2HB ARG 31 2HB ARG 31 -14.778 -3.292 -5.137 228 1HG ARG 31 1HG ARG 31 -15.281 -0.933 -4.611 229 2HG ARG 31 2HG ARG 31 -14.008 -0.892 -3.406 230 1HD ARG 31 1HD ARG 31 -13.131 0.129 -5.383 231 2HD ARG 31 2HD ARG 31 -12.335 -1.434 -5.201 232 HE ARG 31 HE ARG 31 -14.730 -1.045 -6.967 233 1HH1 ARG 31 1HH1 ARG 31 -11.310 -2.012 -6.755 234 2HH1 ARG 31 2HH1 ARG 31 -11.349 -3.003 -8.154 235 1HH2 ARG 31 1HH2 ARG 31 -14.795 -2.244 -8.801 236 2HH2 ARG 31 2HH2 ARG 31 -13.371 -2.952 -9.513 237 H HIS 32 H HIS 32 -14.892 -5.245 -1.381 238 HA HIS 32 HA HIS 32 -16.315 -7.286 -3.004 239 1HB HIS 32 1HB HIS 32 -14.023 -7.438 -1.011 240 2HB HIS 32 2HB HIS 32 -14.908 -8.837 -1.580 241 HD1 HIS 32 HD1 HIS 32 -12.136 -9.277 -2.282 242 HD2 HIS 32 HD2 HIS 32 -14.635 -6.858 -4.662 243 HE1 HIS 32 HE1 HIS 32 -11.028 -9.112 -4.560 244 H ARG 33 H ARG 33 -16.907 -5.236 -0.437 245 HA ARG 33 HA ARG 33 -18.790 -7.162 0.841 246 1HB ARG 33 1HB ARG 33 -16.850 -5.277 2.244 247 2HB ARG 33 2HB ARG 33 -18.212 -6.032 3.055 248 1HG ARG 33 1HG ARG 33 -16.001 -7.607 1.666 249 2HG ARG 33 2HG ARG 33 -15.980 -7.178 3.376 250 1HD ARG 33 1HD ARG 33 -18.146 -8.853 2.044 251 2HD ARG 33 2HD ARG 33 -16.761 -9.505 2.920 252 HE ARG 33 HE ARG 33 -17.942 -7.649 4.638 253 1HH1 ARG 33 1HH1 ARG 33 -19.118 -10.649 3.104 254 2HH1 ARG 33 2HH1 ARG 33 -19.873 -11.244 4.545 255 1HH2 ARG 33 1HH2 ARG 33 -18.928 -8.429 6.520 256 2HH2 ARG 33 2HH2 ARG 33 -19.947 -9.820 6.484 257 H TYR 34 H TYR 34 -18.224 -3.923 -0.407 258 HA TYR 34 HA TYR 34 -20.911 -3.068 0.406 259 1HB TYR 34 1HB TYR 34 -18.870 -2.016 1.580 260 2HB TYR 34 2HB TYR 34 -18.364 -1.439 0.004 261 HD1 TYR 34 HD1 TYR 34 -19.581 0.418 -1.118 262 HD2 TYR 34 HD2 TYR 34 -20.818 -1.127 2.732 263 HE1 TYR 34 HE1 TYR 34 -20.862 2.488 -0.699 264 HE2 TYR 34 HE2 TYR 34 -22.112 0.913 3.141 265 HH TYR 34 HH TYR 34 -22.257 3.192 2.489 266 1HN NH2 35 1H NH2 35 -21.956 -1.914 -1.379 267 2HN NH2 35 2H NH2 35 -21.256 -1.823 -2.979 268 2HN ZAB 10 H AZO 10 11.715 12.468 1.968 269 2HA ZAB 10 2HA AZO 10 9.263 13.948 2.595 270 3HA ZAB 10 3HA AZO 10 10.761 14.725 3.195 271 HG2 ZAB 10 HG2 AZO 10 8.890 13.581 0.204 272 HD2 ZAB 10 HD2 AZO 10 9.548 14.054 -2.137 273 HE ZAB 10 HE AZO 10 11.732 15.144 -2.626 274 HG1 ZAB 10 HG1 AZO 10 12.531 15.417 1.609 275 HJ2 ZAB 10 HJ2 AZO 10 15.920 15.508 -3.499 276 HK2 ZAB 10 HK2 AZO 10 17.141 13.446 -4.134 277 HL ZAB 10 HL AZO 10 16.904 11.391 -2.787 278 HJ1 ZAB 10 HJ1 AZO 10 14.247 13.463 -0.093 279 2HM ZAB 10 2HM AZO 10 16.380 10.536 -0.477 280 3HM ZAB 10 3HM AZO 10 15.141 11.344 0.490 Start of MODEL 9 1 1H GLY 1 H GLY 1 15.262 -0.808 -10.643 2 1HA GLY 1 1HA GLY 1 12.453 0.089 -10.333 3 2HA GLY 1 2HA GLY 1 13.579 0.739 -11.533 4 HA PRO 2 HA PRO 2 11.514 -2.710 -13.791 5 1HB PRO 2 1HB PRO 2 11.589 -1.624 -16.300 6 2HB PRO 2 2HB PRO 2 10.399 -1.110 -15.076 7 1HG PRO 2 1HG PRO 2 13.043 0.158 -15.742 8 2HG PRO 2 2HG PRO 2 11.450 0.968 -15.623 9 1HD PRO 2 1HD PRO 2 13.203 1.013 -13.549 10 2HD PRO 2 2HD PRO 2 11.462 0.813 -13.245 11 H SER 3 H SER 3 14.535 -1.893 -13.262 12 HA SER 3 HA SER 3 15.908 -4.033 -14.283 13 1HB SER 3 1HB SER 3 15.831 -2.326 -16.316 14 2HB SER 3 2HB SER 3 16.971 -1.382 -15.341 15 HG SER 3 HG SER 3 17.162 -4.082 -16.251 16 H GLN 4 H GLN 4 18.418 -3.279 -13.518 17 HA GLN 4 HA GLN 4 19.617 -2.960 -11.645 18 1HB GLN 4 1HB GLN 4 19.345 -0.716 -12.901 19 2HB GLN 4 2HB GLN 4 18.360 -0.207 -11.544 20 1HG GLN 4 1HG GLN 4 21.224 -1.251 -11.396 21 2HG GLN 4 2HG GLN 4 20.785 0.449 -11.448 22 1HE2 GLN 4 2HE2 GLN 4 19.113 1.127 -9.627 23 2HE2 GLN 4 1HE2 GLN 4 19.559 0.525 -8.037 24 HA PRO 5 HA PRO 5 16.036 -3.772 -8.746 25 1HB PRO 5 1HB PRO 5 16.654 -6.328 -8.030 26 2HB PRO 5 2HB PRO 5 15.731 -5.955 -9.515 27 1HG PRO 5 1HG PRO 5 18.693 -6.560 -9.257 28 2HG PRO 5 2HG PRO 5 17.530 -7.196 -10.456 29 1HD PRO 5 1HD PRO 5 19.207 -5.080 -10.964 30 2HD PRO 5 2HD PRO 5 17.587 -5.226 -11.708 31 H THR 6 H THR 6 16.490 -2.882 -6.713 32 HA THR 6 HA THR 6 19.314 -2.838 -5.895 33 HB THR 6 HB THR 6 17.788 -0.804 -5.923 34 HG1 THR 6 HG1 THR 6 19.639 -0.564 -5.117 35 1HG2 THR 6 1HG2 THR 6 16.487 -0.293 -3.963 36 2HG2 THR 6 2HG2 THR 6 16.865 -1.849 -3.226 37 3HG2 THR 6 3HG2 THR 6 15.843 -1.779 -4.680 38 H TYR 7 H TYR 7 19.610 -3.099 -3.455 39 HA TYR 7 HA TYR 7 19.134 -5.854 -2.854 40 1HB TYR 7 1HB TYR 7 20.217 -5.257 -0.640 41 2HB TYR 7 2HB TYR 7 21.126 -4.878 -2.082 42 HD1 TYR 7 HD1 TYR 7 18.819 -3.266 0.442 43 HD2 TYR 7 HD2 TYR 7 22.147 -2.809 -2.273 44 HE1 TYR 7 HE1 TYR 7 19.158 -0.962 1.237 45 HE2 TYR 7 HE2 TYR 7 22.503 -0.500 -1.453 46 HH TYR 7 HH TYR 7 21.445 1.328 -0.247 47 HA PRO 8 HA PRO 8 15.271 -5.782 -0.764 48 1HB PRO 8 1HB PRO 8 15.621 -7.477 1.404 49 2HB PRO 8 2HB PRO 8 15.426 -8.012 -0.291 50 1HG PRO 8 1HG PRO 8 18.003 -7.594 1.250 51 2HG PRO 8 2HG PRO 8 17.539 -9.002 0.240 52 1HD PRO 8 1HD PRO 8 19.126 -7.078 -0.743 53 2HD PRO 8 2HD PRO 8 17.822 -7.735 -1.765 54 H GLY 9 H GLY 9 14.419 -4.164 0.388 55 1HA GLY 9 1HA GLY 9 14.330 -3.381 2.877 56 2HA GLY 9 2HA GLY 9 15.955 -2.767 2.490 57 HA PRO 11 HA PRO 11 14.226 6.387 -3.903 58 1HB PRO 11 1HB PRO 11 12.693 4.113 -3.704 59 2HB PRO 11 2HB PRO 11 14.406 4.127 -4.205 60 1HG PRO 11 1HG PRO 11 13.273 3.528 -1.450 61 2HG PRO 11 2HG PRO 11 14.534 2.630 -2.345 62 1HD PRO 11 1HD PRO 11 15.090 4.477 -0.405 63 2HD PRO 11 2HD PRO 11 16.162 4.239 -1.817 64 H VAL 12 H VAL 12 12.905 8.202 -3.552 65 HA VAL 12 HA VAL 12 11.004 8.360 -1.434 66 HB VAL 12 HB VAL 12 11.047 9.924 -4.046 67 1HG1 VAL 12 1HG1 VAL 12 8.927 10.215 -2.861 68 2HG1 VAL 12 2HG1 VAL 12 9.776 10.510 -1.324 69 3HG1 VAL 12 3HG1 VAL 12 9.891 11.678 -2.660 70 1HG2 VAL 12 1HG2 VAL 12 12.276 11.652 -2.737 71 2HG2 VAL 12 2HG2 VAL 12 12.378 10.533 -1.361 72 3HG2 VAL 12 3HG2 VAL 12 13.211 10.168 -2.886 73 H GLU 13 H GLU 13 10.805 7.034 -4.714 74 HA GLU 13 HA GLU 13 8.014 6.767 -4.949 75 1HB GLU 13 1HB GLU 13 10.265 4.948 -5.927 76 2HB GLU 13 2HB GLU 13 8.598 4.861 -6.493 77 1HG GLU 13 1HG GLU 13 10.471 7.237 -6.845 78 2HG GLU 13 2HG GLU 13 10.081 6.039 -8.078 79 H ASP 14 H ASP 14 10.229 5.042 -2.794 80 HA ASP 14 HA ASP 14 8.670 2.639 -2.579 81 1HB ASP 14 1HB ASP 14 11.120 3.007 -1.918 82 2HB ASP 14 2HB ASP 14 10.493 3.685 -0.405 83 H LEU 15 H LEU 15 8.738 5.716 -0.848 84 HA LEU 15 HA LEU 15 6.934 5.020 1.231 85 1HB LEU 15 1HB LEU 15 8.138 7.515 0.020 86 2HB LEU 15 2HB LEU 15 6.671 7.714 0.893 87 HG LEU 15 HG LEU 15 8.613 8.158 2.267 88 1HD1 LEU 15 1HD1 LEU 15 7.204 5.655 3.285 89 2HD1 LEU 15 2HD1 LEU 15 6.588 7.320 3.386 90 3HD1 LEU 15 3HD1 LEU 15 8.065 6.875 4.248 91 1HD2 LEU 15 1HD2 LEU 15 9.377 5.231 1.899 92 2HD2 LEU 15 2HD2 LEU 15 10.196 6.398 2.943 93 3HD2 LEU 15 3HD2 LEU 15 10.213 6.618 1.177 94 H ILE 16 H ILE 16 6.521 6.229 -2.085 95 HA ILE 16 HA ILE 16 3.766 6.914 -1.889 96 HB ILE 16 HB ILE 16 5.231 5.849 -4.339 97 1HG1 ILE 16 1HG1 ILE 16 6.530 7.682 -3.431 98 2HG1 ILE 16 2HG1 ILE 16 5.742 8.121 -4.911 99 1HG2 ILE 16 1HG2 ILE 16 3.596 7.230 -5.598 100 2HG2 ILE 16 2HG2 ILE 16 2.816 5.929 -4.690 101 3HG2 ILE 16 3HG2 ILE 16 2.749 7.588 -4.085 102 1HD1 ILE 16 1HD1 ILE 16 4.051 9.436 -3.616 103 2HD1 ILE 16 2HD1 ILE 16 4.839 8.946 -2.103 104 3HD1 ILE 16 3HD1 ILE 16 5.691 9.962 -3.265 105 H ARG 17 H ARG 17 5.313 3.880 -3.129 106 HA ARG 17 HA ARG 17 2.793 2.555 -3.168 107 1HB ARG 17 1HB ARG 17 3.980 0.528 -3.683 108 2HB ARG 17 2HB ARG 17 4.541 1.871 -4.634 109 1HG ARG 17 1HG ARG 17 6.458 0.732 -4.165 110 2HG ARG 17 2HG ARG 17 6.515 2.025 -2.969 111 1HD ARG 17 1HD ARG 17 5.620 0.416 -1.261 112 2HD ARG 17 2HD ARG 17 5.536 -0.829 -2.513 113 HE ARG 17 HE ARG 17 8.085 0.474 -1.647 114 1HH1 ARG 17 1HH1 ARG 17 6.256 -2.557 -2.092 115 2HH1 ARG 17 2HH1 ARG 17 7.517 -3.540 -1.425 116 1HH2 ARG 17 1HH2 ARG 17 9.746 -0.804 -1.027 117 2HH2 ARG 17 2HH2 ARG 17 9.636 -2.522 -0.869 118 H PHE 18 H PHE 18 4.924 3.104 -0.491 119 HA PHE 18 HA PHE 18 3.862 0.944 1.119 120 1HB PHE 18 1HB PHE 18 6.059 2.114 1.552 121 2HB PHE 18 2HB PHE 18 5.180 3.571 1.957 122 HD1 PHE 18 HD1 PHE 18 5.202 3.982 4.289 123 HD2 PHE 18 HD2 PHE 18 4.835 -0.073 2.867 124 HE1 PHE 18 HE1 PHE 18 4.950 3.180 6.616 125 HE2 PHE 18 HE2 PHE 18 4.591 -0.874 5.201 126 HZ PHE 18 HZ PHE 18 4.625 0.734 7.065 127 H TYR 19 H TYR 19 3.086 4.357 0.526 128 HA TYR 19 HA TYR 19 1.060 4.585 2.581 129 1HB TYR 19 1HB TYR 19 2.518 6.377 1.224 130 2HB TYR 19 2HB TYR 19 1.139 6.379 0.153 131 HD1 TYR 19 HD1 TYR 19 -1.222 6.686 1.443 132 HD2 TYR 19 HD2 TYR 19 2.636 7.832 2.995 133 HE1 TYR 19 HE1 TYR 19 -2.324 8.235 3.060 134 HE2 TYR 19 HE2 TYR 19 1.574 9.421 4.522 135 HH TYR 19 HH TYR 19 -0.465 10.494 5.042 136 H ASN 20 H ASN 20 1.049 4.092 -0.942 137 HA ASN 20 HA ASN 20 -1.710 4.084 -1.410 138 1HB ASN 20 1HB ASN 20 0.098 4.125 -3.161 139 2HB ASN 20 2HB ASN 20 0.417 2.421 -2.814 140 1HD2 ASN 20 2HD2 ASN 20 -0.307 1.417 -4.681 141 2HD2 ASN 20 1HD2 ASN 20 -1.859 1.716 -5.430 142 H ASP 21 H ASP 21 0.311 1.473 -0.103 143 HA ASP 21 HA ASP 21 -1.459 -0.694 -0.606 144 1HB ASP 21 1HB ASP 21 0.852 -1.039 0.141 145 2HB ASP 21 2HB ASP 21 0.460 -0.334 1.719 146 H LEU 22 H LEU 22 -1.462 1.812 1.911 147 HA LEU 22 HA LEU 22 -3.428 0.554 3.605 148 1HB LEU 22 1HB LEU 22 -2.751 3.497 3.218 149 2HB LEU 22 2HB LEU 22 -3.770 2.869 4.502 150 HG LEU 22 HG LEU 22 -0.847 2.070 4.129 151 1HD1 LEU 22 1HD1 LEU 22 -2.059 4.218 5.917 152 2HD1 LEU 22 2HD1 LEU 22 -0.958 4.472 4.549 153 3HD1 LEU 22 3HD1 LEU 22 -0.387 3.637 6.001 154 1HD2 LEU 22 1HD2 LEU 22 -2.182 0.470 5.449 155 2HD2 LEU 22 2HD2 LEU 22 -2.743 1.785 6.507 156 3HD2 LEU 22 3HD2 LEU 22 -1.026 1.329 6.476 157 H GLN 23 H GLN 23 -3.592 2.903 0.907 158 HA GLN 23 HA GLN 23 -6.479 3.120 0.994 159 1HB GLN 23 1HB GLN 23 -4.470 3.783 -1.214 160 2HB GLN 23 2HB GLN 23 -6.206 3.985 -1.389 161 1HG GLN 23 1HG GLN 23 -5.561 6.099 -0.775 162 2HG GLN 23 2HG GLN 23 -6.121 5.437 0.749 163 1HE2 GLN 23 2HE2 GLN 23 -4.548 5.186 2.485 164 2HE2 GLN 23 1HE2 GLN 23 -2.910 5.730 2.309 165 H GLN 24 H GLN 24 -4.240 1.025 -0.771 166 HA GLN 24 HA GLN 24 -6.040 -0.260 -2.503 167 1HB GLN 24 1HB GLN 24 -3.533 -0.251 -2.560 168 2HB GLN 24 2HB GLN 24 -3.532 -1.357 -1.202 169 1HG GLN 24 1HG GLN 24 -3.826 -3.142 -2.506 170 2HG GLN 24 2HG GLN 24 -5.209 -2.435 -3.329 171 1HE2 GLN 24 2HE2 GLN 24 -4.527 -0.602 -4.982 172 2HE2 GLN 24 1HE2 GLN 24 -3.141 -0.950 -5.991 173 H TYR 25 H TYR 25 -5.144 -0.904 0.839 174 HA TYR 25 HA TYR 25 -6.700 -3.360 1.091 175 1HB TYR 25 1HB TYR 25 -4.588 -2.573 2.377 176 2HB TYR 25 2HB TYR 25 -5.654 -1.516 3.294 177 HD1 TYR 25 HD1 TYR 25 -6.451 -2.389 5.351 178 HD2 TYR 25 HD2 TYR 25 -5.281 -5.093 2.210 179 HE1 TYR 25 HE1 TYR 25 -6.628 -4.285 6.910 180 HE2 TYR 25 HE2 TYR 25 -5.461 -7.010 3.764 181 HH TYR 25 HH TYR 25 -5.934 -7.681 5.973 182 H LEU 26 H LEU 26 -7.764 -0.240 0.727 183 HA LEU 26 HA LEU 26 -10.246 -0.814 2.271 184 1HB LEU 26 1HB LEU 26 -8.978 1.819 1.485 185 2HB LEU 26 2HB LEU 26 -10.582 1.698 2.196 186 HG LEU 26 HG LEU 26 -8.124 0.581 3.613 187 1HD1 LEU 26 1HD1 LEU 26 -9.219 3.410 3.789 188 2HD1 LEU 26 2HD1 LEU 26 -7.645 2.914 3.155 189 3HD1 LEU 26 3HD1 LEU 26 -7.994 2.685 4.865 190 1HD2 LEU 26 1HD2 LEU 26 -9.530 0.865 5.615 191 2HD2 LEU 26 2HD2 LEU 26 -10.331 -0.167 4.436 192 3HD2 LEU 26 3HD2 LEU 26 -10.851 1.513 4.620 193 H ASN 27 H ASN 27 -8.880 -0.200 -0.709 194 HA ASN 27 HA ASN 27 -11.411 -0.070 -2.104 195 1HB ASN 27 1HB ASN 27 -8.515 0.524 -2.661 196 2HB ASN 27 2HB ASN 27 -9.408 -0.060 -4.020 197 1HD2 ASN 27 2HD2 ASN 27 -8.414 2.749 -2.824 198 2HD2 ASN 27 1HD2 ASN 27 -9.761 3.794 -3.214 199 H VAL 28 H VAL 28 -9.800 -2.617 -1.039 200 HA VAL 28 HA VAL 28 -11.010 -4.324 -3.145 201 HB VAL 28 HB VAL 28 -8.315 -4.875 -1.824 202 1HG1 VAL 28 1HG1 VAL 28 -9.468 -6.951 -2.611 203 2HG1 VAL 28 2HG1 VAL 28 -9.818 -6.203 -4.169 204 3HG1 VAL 28 3HG1 VAL 28 -8.158 -6.599 -3.727 205 1HG2 VAL 28 1HG2 VAL 28 -8.873 -3.965 -4.692 206 2HG2 VAL 28 2HG2 VAL 28 -8.086 -2.976 -3.447 207 3HG2 VAL 28 3HG2 VAL 28 -7.290 -4.427 -4.043 208 H VAL 29 H VAL 29 -10.586 -3.567 0.133 209 HA VAL 29 HA VAL 29 -11.722 -6.147 1.019 210 HB VAL 29 HB VAL 29 -10.843 -3.720 2.605 211 1HG1 VAL 29 1HG1 VAL 29 -12.566 -5.108 3.801 212 2HG1 VAL 29 2HG1 VAL 29 -11.557 -6.533 3.566 213 3HG1 VAL 29 3HG1 VAL 29 -10.989 -5.192 4.580 214 1HG2 VAL 29 1HG2 VAL 29 -8.945 -4.904 1.522 215 2HG2 VAL 29 2HG2 VAL 29 -8.918 -5.091 3.272 216 3HG2 VAL 29 3HG2 VAL 29 -9.475 -6.428 2.265 217 H THR 30 H THR 30 -12.585 -2.752 1.637 218 HA THR 30 HA THR 30 -15.316 -3.394 1.987 219 HB THR 30 HB THR 30 -15.261 -0.700 1.169 220 HG1 THR 30 HG1 THR 30 -13.045 -0.539 1.493 221 1HG2 THR 30 1HG2 THR 30 -15.270 -1.649 4.029 222 2HG2 THR 30 2HG2 THR 30 -16.671 -1.778 2.943 223 3HG2 THR 30 3HG2 THR 30 -15.999 -0.186 3.338 224 H ARG 31 H ARG 31 -13.588 -2.533 -0.979 225 HA ARG 31 HA ARG 31 -15.885 -2.028 -2.550 226 1HB ARG 31 1HB ARG 31 -13.448 -1.580 -3.107 227 2HB ARG 31 2HB ARG 31 -13.320 -3.295 -3.571 228 1HG ARG 31 1HG ARG 31 -15.059 -2.938 -5.306 229 2HG ARG 31 2HG ARG 31 -15.230 -1.247 -4.767 230 1HD ARG 31 1HD ARG 31 -12.877 -0.833 -5.379 231 2HD ARG 31 2HD ARG 31 -12.752 -2.495 -5.958 232 HE ARG 31 HE ARG 31 -14.976 -1.025 -7.131 233 1HH1 ARG 31 1HH1 ARG 31 -11.510 -1.693 -7.501 234 2HH1 ARG 31 2HH1 ARG 31 -11.493 -1.400 -9.203 235 1HH2 ARG 31 1HH2 ARG 31 -15.009 -0.693 -9.269 236 2HH2 ARG 31 2HH2 ARG 31 -13.604 -0.862 -10.296 237 H HIS 32 H HIS 32 -14.702 -4.979 -1.319 238 HA HIS 32 HA HIS 32 -16.615 -6.595 -2.922 239 1HB HIS 32 1HB HIS 32 -13.919 -7.195 -1.657 240 2HB HIS 32 2HB HIS 32 -15.039 -8.466 -2.079 241 HD1 HIS 32 HD1 HIS 32 -12.428 -8.705 -3.487 242 HD2 HIS 32 HD2 HIS 32 -15.679 -6.450 -4.958 243 HE1 HIS 32 HE1 HIS 32 -12.237 -8.734 -6.037 244 H ARG 33 H ARG 33 -16.918 -4.945 -0.217 245 HA ARG 33 HA ARG 33 -18.318 -7.176 1.171 246 1HB ARG 33 1HB ARG 33 -16.151 -6.894 2.268 247 2HB ARG 33 2HB ARG 33 -16.501 -5.214 2.608 248 1HG ARG 33 1HG ARG 33 -18.448 -7.335 3.565 249 2HG ARG 33 2HG ARG 33 -16.885 -7.209 4.366 250 1HD ARG 33 1HD ARG 33 -17.291 -4.776 4.746 251 2HD ARG 33 2HD ARG 33 -18.904 -4.939 4.089 252 HE ARG 33 HE ARG 33 -17.798 -6.001 6.618 253 1HH1 ARG 33 1HH1 ARG 33 -20.673 -5.658 4.550 254 2HH1 ARG 33 2HH1 ARG 33 -21.770 -5.506 5.888 255 1HH2 ARG 33 1HH2 ARG 33 -19.315 -6.183 8.343 256 2HH2 ARG 33 2HH2 ARG 33 -21.017 -6.131 8.052 257 H TYR 34 H TYR 34 -18.135 -3.665 0.475 258 HA TYR 34 HA TYR 34 -20.551 -3.103 1.977 259 1HB TYR 34 1HB TYR 34 -18.626 -1.535 1.656 260 2HB TYR 34 2HB TYR 34 -19.013 -1.438 -0.046 261 HD1 TYR 34 HD1 TYR 34 -20.597 0.195 -0.785 262 HD2 TYR 34 HD2 TYR 34 -20.426 -0.812 3.388 263 HE1 TYR 34 HE1 TYR 34 -22.001 2.159 -0.269 264 HE2 TYR 34 HE2 TYR 34 -21.811 1.170 3.931 265 HH TYR 34 HH TYR 34 -23.646 2.869 1.948 266 1HN NH2 35 1H NH2 35 -21.268 -5.228 0.496 267 2HN NH2 35 2H NH2 35 -22.082 -4.812 -1.008 268 2HN ZAB 10 H AZO 10 16.073 -0.829 1.489 269 2HA ZAB 10 2HA AZO 10 15.601 0.813 -0.123 270 3HA ZAB 10 3HA AZO 10 13.997 0.112 -0.400 271 HG2 ZAB 10 HG2 AZO 10 12.142 1.060 0.613 272 HD2 ZAB 10 HD2 AZO 10 11.163 2.904 1.995 273 HE ZAB 10 HE AZO 10 12.601 4.177 3.549 274 HG1 ZAB 10 HG1 AZO 10 16.017 1.910 2.220 275 HJ2 ZAB 10 HJ2 AZO 10 13.750 7.025 4.407 276 HK2 ZAB 10 HK2 AZO 10 13.416 8.878 2.795 277 HL ZAB 10 HL AZO 10 14.574 8.858 0.609 278 HJ1 ZAB 10 HJ1 AZO 10 16.490 5.131 1.674 279 2HM ZAB 10 2HM AZO 10 16.997 7.871 -0.366 280 3HM ZAB 10 3HM AZO 10 17.005 6.111 -0.388 Start of MODEL 10 1 1H GLY 1 H GLY 1 -4.265 -9.185 -6.635 2 1HA GLY 1 1HA GLY 1 -6.156 -10.698 -6.949 3 2HA GLY 1 2HA GLY 1 -5.026 -11.852 -7.678 4 HA PRO 2 HA PRO 2 -5.264 -13.137 -3.287 5 1HB PRO 2 1HB PRO 2 -4.173 -15.662 -3.665 6 2HB PRO 2 2HB PRO 2 -5.896 -15.264 -3.883 7 1HG PRO 2 1HG PRO 2 -3.746 -15.518 -5.974 8 2HG PRO 2 2HG PRO 2 -5.446 -16.089 -6.026 9 1HD PRO 2 1HD PRO 2 -4.617 -13.793 -7.234 10 2HD PRO 2 2HD PRO 2 -6.252 -13.945 -6.519 11 H SER 3 H SER 3 -3.761 -11.845 -2.265 12 HA SER 3 HA SER 3 -1.028 -12.746 -2.140 13 1HB SER 3 1HB SER 3 -1.198 -11.204 -4.225 14 2HB SER 3 2HB SER 3 -1.528 -9.900 -3.068 15 HG SER 3 HG SER 3 0.593 -9.803 -3.056 16 H GLN 4 H GLN 4 0.183 -11.263 -0.700 17 HA GLN 4 HA GLN 4 -1.286 -9.828 1.367 18 1HB GLN 4 1HB GLN 4 0.133 -11.123 3.065 19 2HB GLN 4 2HB GLN 4 -1.292 -11.933 2.442 20 1HG GLN 4 1HG GLN 4 1.554 -12.454 1.453 21 2HG GLN 4 2HG GLN 4 0.753 -13.382 2.715 22 1HE2 GLN 4 2HE2 GLN 4 1.686 -14.027 -0.267 23 2HE2 GLN 4 1HE2 GLN 4 0.247 -14.735 -0.960 24 HA PRO 5 HA PRO 5 2.358 -7.445 0.472 25 1HB PRO 5 1HB PRO 5 2.607 -5.861 2.654 26 2HB PRO 5 2HB PRO 5 1.256 -5.680 1.493 27 1HG PRO 5 1HG PRO 5 1.221 -7.140 4.153 28 2HG PRO 5 2HG PRO 5 0.026 -5.963 3.516 29 1HD PRO 5 1HD PRO 5 -0.317 -8.671 3.313 30 2HD PRO 5 2HD PRO 5 -0.871 -7.555 2.031 31 H THR 6 H THR 6 4.621 -7.560 0.844 32 HA THR 6 HA THR 6 5.572 -9.080 3.220 33 HB THR 6 HB THR 6 6.567 -9.545 0.396 34 HG1 THR 6 HG1 THR 6 5.265 -11.296 0.195 35 1HG2 THR 6 1HG2 THR 6 6.739 -11.274 2.891 36 2HG2 THR 6 2HG2 THR 6 8.065 -10.343 2.153 37 3HG2 THR 6 3HG2 THR 6 7.369 -11.691 1.273 38 H TYR 7 H TYR 7 7.741 -8.610 3.776 39 HA TYR 7 HA TYR 7 9.567 -7.451 4.103 40 1HB TYR 7 1HB TYR 7 9.632 -6.372 1.302 41 2HB TYR 7 2HB TYR 7 10.932 -6.806 2.388 42 HD1 TYR 7 HD1 TYR 7 8.938 -7.843 -0.386 43 HD2 TYR 7 HD2 TYR 7 11.254 -9.328 2.924 44 HE1 TYR 7 HE1 TYR 7 9.265 -9.982 -1.584 45 HE2 TYR 7 HE2 TYR 7 11.594 -11.478 1.736 46 HH TYR 7 HH TYR 7 11.031 -12.727 -0.126 47 HA PRO 8 HA PRO 8 7.184 -3.522 4.692 48 1HB PRO 8 1HB PRO 8 7.187 -3.398 7.399 49 2HB PRO 8 2HB PRO 8 6.113 -4.547 6.548 50 1HG PRO 8 1HG PRO 8 8.847 -5.106 7.757 51 2HG PRO 8 2HG PRO 8 7.324 -6.017 8.017 52 1HD PRO 8 1HD PRO 8 9.206 -6.766 6.163 53 2HD PRO 8 2HD PRO 8 7.449 -7.012 5.901 54 H GLY 9 H GLY 9 8.019 -1.523 6.049 55 1HA GLY 9 1HA GLY 9 9.625 0.004 6.496 56 2HA GLY 9 2HA GLY 9 10.641 -1.340 7.036 57 HA PRO 11 HA PRO 11 13.892 7.426 -4.364 58 1HB PRO 11 1HB PRO 11 12.498 6.141 -6.333 59 2HB PRO 11 2HB PRO 11 14.262 5.920 -6.127 60 1HG PRO 11 1HG PRO 11 12.032 4.132 -5.104 61 2HG PRO 11 2HG PRO 11 13.508 3.652 -6.002 62 1HD PRO 11 1HD PRO 11 13.317 3.528 -3.267 63 2HD PRO 11 2HD PRO 11 14.855 3.935 -4.065 64 H VAL 12 H VAL 12 11.810 8.512 -5.152 65 HA VAL 12 HA VAL 12 9.939 8.753 -3.123 66 HB VAL 12 HB VAL 12 9.117 9.234 -6.005 67 1HG1 VAL 12 1HG1 VAL 12 8.054 11.221 -5.050 68 2HG1 VAL 12 2HG1 VAL 12 7.586 9.807 -4.091 69 3HG1 VAL 12 3HG1 VAL 12 8.821 10.918 -3.476 70 1HG2 VAL 12 1HG2 VAL 12 11.172 10.892 -4.490 71 2HG2 VAL 12 2HG2 VAL 12 11.395 10.074 -6.057 72 3HG2 VAL 12 3HG2 VAL 12 10.298 11.444 -5.934 73 H GLU 13 H GLU 13 9.733 6.581 -5.994 74 HA GLU 13 HA GLU 13 7.120 5.736 -5.506 75 1HB GLU 13 1HB GLU 13 7.479 3.922 -6.941 76 2HB GLU 13 2HB GLU 13 8.289 5.359 -7.564 77 1HG GLU 13 1HG GLU 13 10.466 4.489 -6.860 78 2HG GLU 13 2HG GLU 13 9.697 3.066 -6.130 79 H ASP 14 H ASP 14 10.025 4.675 -3.806 80 HA ASP 14 HA ASP 14 8.938 2.264 -2.663 81 1HB ASP 14 1HB ASP 14 11.317 2.610 -2.779 82 2HB ASP 14 2HB ASP 14 11.206 4.123 -1.870 83 H LEU 15 H LEU 15 8.627 5.647 -1.941 84 HA LEU 15 HA LEU 15 7.455 5.200 0.715 85 1HB LEU 15 1HB LEU 15 9.270 6.845 0.327 86 2HB LEU 15 2HB LEU 15 8.253 7.701 -0.833 87 HG LEU 15 HG LEU 15 6.672 8.274 0.894 88 1HD1 LEU 15 1HD1 LEU 15 7.245 7.864 3.335 89 2HD1 LEU 15 2HD1 LEU 15 8.526 6.749 2.796 90 3HD1 LEU 15 3HD1 LEU 15 6.813 6.397 2.461 91 1HD2 LEU 15 1HD2 LEU 15 9.560 8.871 1.686 92 2HD2 LEU 15 2HD2 LEU 15 8.148 9.811 2.205 93 3HD2 LEU 15 3HD2 LEU 15 8.601 9.750 0.484 94 H ILE 16 H ILE 16 6.588 5.902 -2.605 95 HA ILE 16 HA ILE 16 3.894 6.887 -2.078 96 HB ILE 16 HB ILE 16 5.308 5.778 -4.544 97 1HG1 ILE 16 1HG1 ILE 16 4.247 8.553 -3.927 98 2HG1 ILE 16 2HG1 ILE 16 5.890 8.094 -3.591 99 1HG2 ILE 16 1HG2 ILE 16 3.415 6.464 -5.951 100 2HG2 ILE 16 2HG2 ILE 16 2.914 5.225 -4.825 101 3HG2 ILE 16 3HG2 ILE 16 2.489 6.922 -4.511 102 1HD1 ILE 16 1HD1 ILE 16 5.849 9.340 -5.658 103 2HD1 ILE 16 2HD1 ILE 16 6.263 7.663 -6.042 104 3HD1 ILE 16 3HD1 ILE 16 4.623 8.276 -6.344 105 H ARG 17 H ARG 17 5.282 3.720 -3.152 106 HA ARG 17 HA ARG 17 2.796 2.361 -3.137 107 1HB ARG 17 1HB ARG 17 4.069 0.321 -3.258 108 2HB ARG 17 2HB ARG 17 4.805 1.546 -4.289 109 1HG ARG 17 1HG ARG 17 6.450 1.995 -2.342 110 2HG ARG 17 2HG ARG 17 5.805 0.548 -1.584 111 1HD ARG 17 1HD ARG 17 7.008 0.610 -4.386 112 2HD ARG 17 2HD ARG 17 7.916 0.216 -2.926 113 HE ARG 17 HE ARG 17 5.525 -1.319 -3.902 114 1HH1 ARG 17 1HH1 ARG 17 8.726 -1.405 -2.361 115 2HH1 ARG 17 2HH1 ARG 17 8.712 -3.123 -2.195 116 1HH2 ARG 17 1HH2 ARG 17 5.387 -3.413 -3.469 117 2HH2 ARG 17 2HH2 ARG 17 6.648 -4.299 -2.636 118 H PHE 18 H PHE 18 5.133 2.870 -0.504 119 HA PHE 18 HA PHE 18 3.947 1.161 1.383 120 1HB PHE 18 1HB PHE 18 6.152 2.160 1.653 121 2HB PHE 18 2HB PHE 18 5.466 3.781 1.671 122 HD1 PHE 18 HD1 PHE 18 6.299 4.565 3.742 123 HD2 PHE 18 HD2 PHE 18 4.154 0.818 3.618 124 HE1 PHE 18 HE1 PHE 18 6.275 4.485 6.211 125 HE2 PHE 18 HE2 PHE 18 4.091 0.791 6.081 126 HZ PHE 18 HZ PHE 18 5.199 2.576 7.386 127 H TYR 19 H TYR 19 3.046 4.475 0.382 128 HA TYR 19 HA TYR 19 1.074 4.668 2.524 129 1HB TYR 19 1HB TYR 19 2.402 6.623 1.275 130 2HB TYR 19 2HB TYR 19 1.124 6.494 0.098 131 HD1 TYR 19 HD1 TYR 19 -0.538 8.194 0.417 132 HD2 TYR 19 HD2 TYR 19 1.252 6.325 3.875 133 HE1 TYR 19 HE1 TYR 19 -2.155 9.356 1.884 134 HE2 TYR 19 HE2 TYR 19 -0.394 7.406 5.330 135 HH TYR 19 HH TYR 19 -2.889 9.676 4.146 136 H ASN 20 H ASN 20 1.084 4.238 -0.956 137 HA ASN 20 HA ASN 20 -1.719 4.090 -1.372 138 1HB ASN 20 1HB ASN 20 0.667 3.075 -2.933 139 2HB ASN 20 2HB ASN 20 -0.947 2.562 -3.396 140 1HD2 ASN 20 2HD2 ASN 20 1.079 5.463 -2.905 141 2HD2 ASN 20 1HD2 ASN 20 0.116 6.512 -3.920 142 H ASP 21 H ASP 21 0.476 1.605 -0.138 143 HA ASP 21 HA ASP 21 -1.046 -0.725 -0.536 144 1HB ASP 21 1HB ASP 21 1.155 -0.965 0.251 145 2HB ASP 21 2HB ASP 21 0.940 0.221 1.538 146 H LEU 22 H LEU 22 -1.340 1.801 1.917 147 HA LEU 22 HA LEU 22 -3.245 0.498 3.616 148 1HB LEU 22 1HB LEU 22 -2.727 3.468 3.122 149 2HB LEU 22 2HB LEU 22 -3.668 2.837 4.448 150 HG LEU 22 HG LEU 22 -0.726 2.170 4.023 151 1HD1 LEU 22 1HD1 LEU 22 -0.304 3.830 5.824 152 2HD1 LEU 22 2HD1 LEU 22 -2.017 4.293 5.784 153 3HD1 LEU 22 3HD1 LEU 22 -0.983 4.572 4.367 154 1HD2 LEU 22 1HD2 LEU 22 -1.875 0.513 5.415 155 2HD2 LEU 22 2HD2 LEU 22 -2.571 1.801 6.426 156 3HD2 LEU 22 3HD2 LEU 22 -0.818 1.505 6.417 157 H GLN 23 H GLN 23 -3.470 2.774 0.924 158 HA GLN 23 HA GLN 23 -6.325 3.106 0.931 159 1HB GLN 23 1HB GLN 23 -4.619 3.475 -1.530 160 2HB GLN 23 2HB GLN 23 -6.023 4.392 -1.003 161 1HG GLN 23 1HG GLN 23 -3.228 4.533 0.197 162 2HG GLN 23 2HG GLN 23 -3.942 5.665 -0.934 163 1HE2 GLN 23 2HE2 GLN 23 -3.423 7.334 0.594 164 2HE2 GLN 23 1HE2 GLN 23 -4.487 7.600 1.956 165 H GLN 24 H GLN 24 -4.103 0.952 -0.805 166 HA GLN 24 HA GLN 24 -5.955 -0.218 -2.584 167 1HB GLN 24 1HB GLN 24 -3.497 -0.310 -2.769 168 2HB GLN 24 2HB GLN 24 -3.432 -1.395 -1.383 169 1HG GLN 24 1HG GLN 24 -4.485 -3.168 -2.568 170 2HG GLN 24 2HG GLN 24 -5.109 -2.080 -3.811 171 1HE2 GLN 24 2HE2 GLN 24 -4.180 -2.861 -5.696 172 2HE2 GLN 24 1HE2 GLN 24 -2.461 -3.036 -5.931 173 H TYR 25 H TYR 25 -4.956 -1.056 0.686 174 HA TYR 25 HA TYR 25 -6.456 -3.452 0.963 175 1HB TYR 25 1HB TYR 25 -4.757 -2.634 2.608 176 2HB TYR 25 2HB TYR 25 -5.910 -1.427 3.168 177 HD1 TYR 25 HD1 TYR 25 -7.697 -2.036 4.702 178 HD2 TYR 25 HD2 TYR 25 -5.328 -5.091 2.774 179 HE1 TYR 25 HE1 TYR 25 -8.715 -3.755 6.167 180 HE2 TYR 25 HE2 TYR 25 -6.346 -6.797 4.215 181 HH TYR 25 HH TYR 25 -7.398 -6.907 6.472 182 H LEU 26 H LEU 26 -7.326 -0.132 1.834 183 HA LEU 26 HA LEU 26 -10.060 -0.600 2.376 184 1HB LEU 26 1HB LEU 26 -8.612 1.947 1.496 185 2HB LEU 26 2HB LEU 26 -10.218 1.936 2.203 186 HG LEU 26 HG LEU 26 -7.801 0.853 3.688 187 1HD1 LEU 26 1HD1 LEU 26 -8.926 3.676 3.744 188 2HD1 LEU 26 2HD1 LEU 26 -7.334 3.190 3.123 189 3HD1 LEU 26 3HD1 LEU 26 -7.691 3.035 4.840 190 1HD2 LEU 26 1HD2 LEU 26 -9.942 0.133 4.600 191 2HD2 LEU 26 2HD2 LEU 26 -10.538 1.812 4.612 192 3HD2 LEU 26 3HD2 LEU 26 -9.182 1.332 5.667 193 H ASN 27 H ASN 27 -8.643 -0.708 -0.627 194 HA ASN 27 HA ASN 27 -11.181 0.049 -1.970 195 1HB ASN 27 1HB ASN 27 -8.293 0.419 -2.627 196 2HB ASN 27 2HB ASN 27 -9.155 -0.327 -3.911 197 1HD2 ASN 27 2HD2 ASN 27 -8.734 2.615 -2.113 198 2HD2 ASN 27 1HD2 ASN 27 -9.752 3.638 -3.127 199 H VAL 28 H VAL 28 -9.542 -2.676 -1.056 200 HA VAL 28 HA VAL 28 -10.904 -4.312 -3.165 201 HB VAL 28 HB VAL 28 -8.302 -4.558 -1.646 202 1HG1 VAL 28 1HG1 VAL 28 -9.164 -6.822 -1.625 203 2HG1 VAL 28 2HG1 VAL 28 -9.553 -6.730 -3.359 204 3HG1 VAL 28 3HG1 VAL 28 -7.864 -6.703 -2.807 205 1HG2 VAL 28 1HG2 VAL 28 -8.195 -3.188 -3.685 206 2HG2 VAL 28 2HG2 VAL 28 -7.285 -4.683 -3.881 207 3HG2 VAL 28 3HG2 VAL 28 -8.887 -4.534 -4.627 208 H VAL 29 H VAL 29 -10.781 -3.540 0.231 209 HA VAL 29 HA VAL 29 -12.120 -6.107 0.905 210 HB VAL 29 HB VAL 29 -10.596 -4.057 2.408 211 1HG1 VAL 29 1HG1 VAL 29 -12.837 -5.604 3.809 212 2HG1 VAL 29 2HG1 VAL 29 -11.482 -4.778 4.610 213 3HG1 VAL 29 3HG1 VAL 29 -12.670 -3.830 3.719 214 1HG2 VAL 29 1HG2 VAL 29 -11.057 -7.037 2.777 215 2HG2 VAL 29 2HG2 VAL 29 -9.819 -6.354 1.735 216 3HG2 VAL 29 3HG2 VAL 29 -9.743 -6.069 3.485 217 H THR 30 H THR 30 -13.004 -2.678 1.327 218 HA THR 30 HA THR 30 -15.681 -3.267 2.058 219 HB THR 30 HB THR 30 -15.889 -0.804 1.367 220 HG1 THR 30 HG1 THR 30 -13.829 0.197 1.020 221 1HG2 THR 30 1HG2 THR 30 -14.616 0.020 3.309 222 2HG2 THR 30 2HG2 THR 30 -13.667 -1.478 3.367 223 3HG2 THR 30 3HG2 THR 30 -15.405 -1.509 3.732 224 H ARG 31 H ARG 31 -14.084 -2.637 -1.034 225 HA ARG 31 HA ARG 31 -16.288 -2.273 -2.656 226 1HB ARG 31 1HB ARG 31 -13.823 -2.069 -3.240 227 2HB ARG 31 2HB ARG 31 -13.803 -3.822 -3.500 228 1HG ARG 31 1HG ARG 31 -15.594 -3.493 -5.273 229 2HG ARG 31 2HG ARG 31 -15.469 -1.746 -4.992 230 1HD ARG 31 1HD ARG 31 -13.007 -1.939 -5.573 231 2HD ARG 31 2HD ARG 31 -13.311 -3.635 -6.011 232 HE ARG 31 HE ARG 31 -15.055 -1.628 -7.254 233 1HH1 ARG 31 1HH1 ARG 31 -12.040 -3.476 -7.714 234 2HH1 ARG 31 2HH1 ARG 31 -12.180 -3.433 -9.453 235 1HH2 ARG 31 1HH2 ARG 31 -15.022 -1.312 -9.466 236 2HH2 ARG 31 2HH2 ARG 31 -13.701 -1.800 -10.423 237 H HIS 32 H HIS 32 -15.295 -5.222 -1.264 238 HA HIS 32 HA HIS 32 -16.916 -6.942 -3.031 239 1HB HIS 32 1HB HIS 32 -15.140 -7.368 -0.614 240 2HB HIS 32 2HB HIS 32 -16.356 -8.578 -0.988 241 HD1 HIS 32 HD1 HIS 32 -15.600 -10.359 -2.711 242 HD2 HIS 32 HD2 HIS 32 -13.699 -6.619 -3.081 243 HE1 HIS 32 HE1 HIS 32 -13.933 -10.605 -4.609 244 H ARG 33 H ARG 33 -17.092 -5.722 0.338 245 HA ARG 33 HA ARG 33 -19.601 -6.976 0.884 246 1HB ARG 33 1HB ARG 33 -17.967 -6.197 2.618 247 2HB ARG 33 2HB ARG 33 -18.369 -4.523 2.227 248 1HG ARG 33 1HG ARG 33 -19.590 -5.154 4.192 249 2HG ARG 33 2HG ARG 33 -20.757 -5.007 2.871 250 1HD ARG 33 1HD ARG 33 -20.806 -7.467 2.609 251 2HD ARG 33 2HD ARG 33 -19.506 -7.612 3.808 252 HE ARG 33 HE ARG 33 -22.078 -6.343 4.566 253 1HH1 ARG 33 1HH1 ARG 33 -20.121 -9.298 4.648 254 2HH1 ARG 33 2HH1 ARG 33 -20.814 -9.931 6.092 255 1HH2 ARG 33 1HH2 ARG 33 -23.171 -7.245 6.383 256 2HH2 ARG 33 2HH2 ARG 33 -22.613 -8.676 7.154 257 H TYR 34 H TYR 34 -18.857 -3.496 0.147 258 HA TYR 34 HA TYR 34 -21.675 -2.877 -0.096 259 1HB TYR 34 1HB TYR 34 -19.191 -1.316 -0.912 260 2HB TYR 34 2HB TYR 34 -20.833 -0.676 -0.891 261 HD1 TYR 34 HD1 TYR 34 -22.159 -0.699 1.303 262 HD2 TYR 34 HD2 TYR 34 -17.919 -1.395 1.116 263 HE1 TYR 34 HE1 TYR 34 -21.997 -0.246 3.714 264 HE2 TYR 34 HE2 TYR 34 -17.725 -0.941 3.554 265 HH TYR 34 HH TYR 34 -20.601 -0.362 5.573 266 1HN NH2 35 1H NH2 35 -22.541 -1.890 -2.115 267 2HN NH2 35 2H NH2 35 -22.300 -2.801 -3.575 268 2HN ZAB 10 H AZO 10 9.383 0.050 4.011 269 2HA ZAB 10 2HA AZO 10 11.072 -0.719 2.064 270 3HA ZAB 10 3HA AZO 10 10.421 0.924 2.141 271 HG2 ZAB 10 HG2 AZO 10 13.352 -1.049 2.115 272 HD2 ZAB 10 HD2 AZO 10 15.668 -0.204 2.438 273 HE ZAB 10 HE AZO 10 16.035 2.074 3.337 274 HG1 ZAB 10 HG1 AZO 10 11.765 2.646 3.641 275 HJ2 ZAB 10 HJ2 AZO 10 16.979 6.062 3.499 276 HK2 ZAB 10 HK2 AZO 10 17.935 6.817 1.343 277 HL ZAB 10 HL AZO 10 16.819 6.259 -0.787 278 HJ1 ZAB 10 HJ1 AZO 10 13.725 4.181 1.375 279 2HM ZAB 10 2HM AZO 10 15.166 4.076 -1.648 280 3HM ZAB 10 3HM AZO 10 13.587 4.246 -0.883 Start of MODEL 11 1 1H GLY 1 H GLY 1 10.548 -14.114 -11.412 2 1HA GLY 1 1HA GLY 1 9.660 -15.859 -9.185 3 2HA GLY 1 2HA GLY 1 11.332 -15.756 -9.786 4 HA PRO 2 HA PRO 2 10.385 -12.486 -6.500 5 1HB PRO 2 1HB PRO 2 11.548 -13.503 -4.251 6 2HB PRO 2 2HB PRO 2 9.884 -13.922 -4.754 7 1HG PRO 2 1HG PRO 2 12.429 -15.499 -5.249 8 2HG PRO 2 2HG PRO 2 10.871 -16.095 -4.596 9 1HD PRO 2 1HD PRO 2 11.537 -16.327 -7.236 10 2HD PRO 2 2HD PRO 2 9.853 -16.036 -6.719 11 H SER 3 H SER 3 11.878 -10.885 -5.909 12 HA SER 3 HA SER 3 14.717 -11.136 -5.866 13 1HB SER 3 1HB SER 3 13.422 -9.691 -8.227 14 2HB SER 3 2HB SER 3 15.132 -9.594 -7.780 15 HG SER 3 HG SER 3 14.477 -12.171 -7.938 16 H GLN 4 H GLN 4 15.516 -9.102 -4.946 17 HA GLN 4 HA GLN 4 15.327 -7.460 -3.395 18 1HB GLN 4 1HB GLN 4 13.670 -6.252 -5.634 19 2HB GLN 4 2HB GLN 4 14.431 -5.379 -4.300 20 1HG GLN 4 1HG GLN 4 16.662 -6.295 -5.092 21 2HG GLN 4 2HG GLN 4 15.817 -6.929 -6.521 22 1HE2 GLN 4 2HE2 GLN 4 15.699 -5.514 -8.292 23 2HE2 GLN 4 1HE2 GLN 4 15.664 -3.785 -8.141 24 HA PRO 5 HA PRO 5 11.094 -8.386 -1.791 25 1HB PRO 5 1HB PRO 5 11.710 -9.397 0.661 26 2HB PRO 5 2HB PRO 5 11.761 -10.373 -0.834 27 1HG PRO 5 1HG PRO 5 14.073 -9.095 0.630 28 2HG PRO 5 2HG PRO 5 13.973 -10.716 -0.119 29 1HD PRO 5 1HD PRO 5 15.109 -8.448 -1.301 30 2HD PRO 5 2HD PRO 5 14.511 -9.840 -2.218 31 H THR 6 H THR 6 9.989 -6.709 -0.901 32 HA THR 6 HA THR 6 11.377 -4.366 0.021 33 HB THR 6 HB THR 6 8.403 -5.066 0.091 34 HG1 THR 6 HG1 THR 6 8.391 -4.135 -1.960 35 1HG2 THR 6 1HG2 THR 6 8.899 -2.937 1.277 36 2HG2 THR 6 2HG2 THR 6 8.088 -2.635 -0.240 37 3HG2 THR 6 3HG2 THR 6 9.843 -2.366 -0.123 38 H TYR 7 H TYR 7 10.793 -3.291 2.166 39 HA TYR 7 HA TYR 7 10.215 -5.060 4.392 40 1HB TYR 7 1HB TYR 7 12.347 -4.231 5.530 41 2HB TYR 7 2HB TYR 7 12.582 -5.409 4.261 42 HD1 TYR 7 HD1 TYR 7 12.995 -1.826 5.180 43 HD2 TYR 7 HD2 TYR 7 13.649 -4.824 2.142 44 HE1 TYR 7 HE1 TYR 7 14.554 -0.305 4.026 45 HE2 TYR 7 HE2 TYR 7 15.125 -3.285 0.927 46 HH TYR 7 HH TYR 7 16.290 -1.348 1.078 47 HA PRO 8 HA PRO 8 8.398 -1.245 5.586 48 1HB PRO 8 1HB PRO 8 8.439 -1.283 8.335 49 2HB PRO 8 2HB PRO 8 7.431 -2.379 7.339 50 1HG PRO 8 1HG PRO 8 10.137 -2.948 8.575 51 2HG PRO 8 2HG PRO 8 8.648 -3.945 8.650 52 1HD PRO 8 1HD PRO 8 10.607 -4.439 6.838 53 2HD PRO 8 2HD PRO 8 8.884 -4.634 6.404 54 H GLY 9 H GLY 9 8.795 0.856 6.202 55 1HA GLY 9 1HA GLY 9 10.090 2.488 7.557 56 2HA GLY 9 2HA GLY 9 11.548 1.605 7.109 57 HA PRO 11 HA PRO 11 12.821 6.495 -5.960 58 1HB PRO 11 1HB PRO 11 11.397 4.308 -6.905 59 2HB PRO 11 2HB PRO 11 13.182 4.417 -6.910 60 1HG PRO 11 1HG PRO 11 11.358 3.058 -4.931 61 2HG PRO 11 2HG PRO 11 12.864 2.431 -5.649 62 1HD PRO 11 1HD PRO 11 12.813 3.525 -3.158 63 2HD PRO 11 2HD PRO 11 14.212 3.745 -4.254 64 H VAL 12 H VAL 12 10.839 7.254 -6.911 65 HA VAL 12 HA VAL 12 8.841 7.955 -5.016 66 HB VAL 12 HB VAL 12 8.836 8.122 -8.050 67 1HG1 VAL 12 1HG1 VAL 12 6.529 8.311 -7.155 68 2HG1 VAL 12 2HG1 VAL 12 7.066 9.587 -6.043 69 3HG1 VAL 12 3HG1 VAL 12 7.090 9.839 -7.803 70 1HG2 VAL 12 1HG2 VAL 12 9.507 10.476 -7.677 71 2HG2 VAL 12 2HG2 VAL 12 9.561 10.190 -5.925 72 3HG2 VAL 12 3HG2 VAL 12 10.702 9.380 -7.016 73 H GLU 13 H GLU 13 9.095 5.210 -7.300 74 HA GLU 13 HA GLU 13 6.373 4.422 -7.151 75 1HB GLU 13 1HB GLU 13 8.088 3.477 -8.723 76 2HB GLU 13 2HB GLU 13 8.786 2.569 -7.396 77 1HG GLU 13 1HG GLU 13 5.837 2.180 -7.689 78 2HG GLU 13 2HG GLU 13 6.702 1.797 -9.153 79 H ASP 14 H ASP 14 9.150 3.742 -4.990 80 HA ASP 14 HA ASP 14 7.729 2.034 -3.184 81 1HB ASP 14 1HB ASP 14 10.141 1.890 -3.286 82 2HB ASP 14 2HB ASP 14 10.309 3.608 -2.905 83 H LEU 15 H LEU 15 8.593 5.461 -3.063 84 HA LEU 15 HA LEU 15 7.594 6.025 -0.498 85 1HB LEU 15 1HB LEU 15 9.060 7.551 -1.726 86 2HB LEU 15 2HB LEU 15 7.844 7.742 -3.000 87 HG LEU 15 HG LEU 15 6.304 8.761 -1.400 88 1HD1 LEU 15 1HD1 LEU 15 7.176 9.584 0.815 89 2HD1 LEU 15 2HD1 LEU 15 8.644 8.616 0.547 90 3HD1 LEU 15 3HD1 LEU 15 7.079 7.825 0.749 91 1HD2 LEU 15 1HD2 LEU 15 7.447 10.934 -1.204 92 2HD2 LEU 15 2HD2 LEU 15 7.696 10.181 -2.791 93 3HD2 LEU 15 3HD2 LEU 15 8.996 10.141 -1.585 94 H ILE 16 H ILE 16 5.965 6.075 -3.677 95 HA ILE 16 HA ILE 16 3.410 6.918 -2.525 96 HB ILE 16 HB ILE 16 4.212 5.920 -5.284 97 1HG1 ILE 16 1HG1 ILE 16 5.195 8.080 -4.930 98 2HG1 ILE 16 2HG1 ILE 16 3.803 8.293 -5.966 99 1HG2 ILE 16 1HG2 ILE 16 1.871 5.392 -4.941 100 2HG2 ILE 16 2HG2 ILE 16 1.544 7.001 -4.313 101 3HG2 ILE 16 3HG2 ILE 16 1.979 6.787 -6.025 102 1HD1 ILE 16 1HD1 ILE 16 3.836 10.112 -4.443 103 2HD1 ILE 16 2HD1 ILE 16 2.530 9.062 -3.859 104 3HD1 ILE 16 3HD1 ILE 16 4.120 9.065 -3.051 105 H ARG 17 H ARG 17 4.814 3.768 -3.649 106 HA ARG 17 HA ARG 17 2.486 2.260 -3.159 107 1HB ARG 17 1HB ARG 17 4.410 1.450 -4.421 108 2HB ARG 17 2HB ARG 17 5.382 1.383 -2.936 109 1HG ARG 17 1HG ARG 17 3.805 -0.291 -2.012 110 2HG ARG 17 2HG ARG 17 2.816 -0.191 -3.470 111 1HD ARG 17 1HD ARG 17 5.780 -0.916 -3.512 112 2HD ARG 17 2HD ARG 17 4.522 -2.134 -3.320 113 HE ARG 17 HE ARG 17 5.275 -0.737 -5.763 114 1HH1 ARG 17 1HH1 ARG 17 2.608 -2.501 -4.162 115 2HH1 ARG 17 2HH1 ARG 17 1.839 -2.974 -5.615 116 1HH2 ARG 17 1HH2 ARG 17 4.394 -1.390 -7.635 117 2HH2 ARG 17 2HH2 ARG 17 2.995 -2.450 -7.707 118 H PHE 18 H PHE 18 5.115 3.154 -0.872 119 HA PHE 18 HA PHE 18 4.122 1.609 1.248 120 1HB PHE 18 1HB PHE 18 6.438 2.601 0.967 121 2HB PHE 18 2HB PHE 18 5.785 4.126 1.550 122 HD1 PHE 18 HD1 PHE 18 5.530 4.461 3.938 123 HD2 PHE 18 HD2 PHE 18 6.249 0.491 2.421 124 HE1 PHE 18 HE1 PHE 18 5.766 3.626 6.248 125 HE2 PHE 18 HE2 PHE 18 6.483 -0.342 4.739 126 HZ PHE 18 HZ PHE 18 6.238 1.229 6.660 127 H TYR 19 H TYR 19 2.392 3.987 -0.126 128 HA TYR 19 HA TYR 19 0.938 4.697 2.381 129 1HB TYR 19 1HB TYR 19 2.330 6.518 0.970 130 2HB TYR 19 2HB TYR 19 0.894 6.514 -0.004 131 HD1 TYR 19 HD1 TYR 19 -1.426 6.610 1.439 132 HD2 TYR 19 HD2 TYR 19 2.416 8.025 2.805 133 HE1 TYR 19 HE1 TYR 19 -2.538 7.973 3.164 134 HE2 TYR 19 HE2 TYR 19 1.308 9.373 4.543 135 HH TYR 19 HH TYR 19 -0.737 9.679 5.701 136 H ASN 20 H ASN 20 0.918 4.032 -1.080 137 HA ASN 20 HA ASN 20 -1.923 3.906 -1.454 138 1HB ASN 20 1HB ASN 20 0.489 2.979 -3.020 139 2HB ASN 20 2HB ASN 20 -1.106 2.398 -3.447 140 1HD2 ASN 20 2HD2 ASN 20 -1.460 3.396 -5.337 141 2HD2 ASN 20 1HD2 ASN 20 -1.617 5.123 -5.528 142 H ASP 21 H ASP 21 0.425 1.534 -0.189 143 HA ASP 21 HA ASP 21 -1.095 -0.833 -0.671 144 1HB ASP 21 1HB ASP 21 1.285 -0.756 -0.051 145 2HB ASP 21 2HB ASP 21 0.870 -0.190 1.559 146 H LEU 22 H LEU 22 -1.020 1.443 2.125 147 HA LEU 22 HA LEU 22 -3.052 0.199 3.646 148 1HB LEU 22 1HB LEU 22 -2.069 3.059 3.427 149 2HB LEU 22 2HB LEU 22 -3.445 2.679 4.456 150 HG LEU 22 HG LEU 22 -0.776 1.238 4.741 151 1HD1 LEU 22 1HD1 LEU 22 -0.454 3.668 5.083 152 2HD1 LEU 22 2HD1 LEU 22 -0.276 2.762 6.585 153 3HD1 LEU 22 3HD1 LEU 22 -1.775 3.677 6.269 154 1HD2 LEU 22 1HD2 LEU 22 -2.614 0.035 5.767 155 2HD2 LEU 22 2HD2 LEU 22 -3.212 1.506 6.549 156 3HD2 LEU 22 3HD2 LEU 22 -1.656 0.788 7.035 157 H GLN 23 H GLN 23 -3.261 2.461 0.931 158 HA GLN 23 HA GLN 23 -6.137 2.823 1.141 159 1HB GLN 23 1HB GLN 23 -4.293 3.177 -1.270 160 2HB GLN 23 2HB GLN 23 -6.011 3.523 -1.235 161 1HG GLN 23 1HG GLN 23 -5.549 5.195 0.613 162 2HG GLN 23 2HG GLN 23 -3.817 4.978 0.274 163 1HE2 GLN 23 2HE2 GLN 23 -3.132 6.857 -1.043 164 2HE2 GLN 23 1HE2 GLN 23 -4.243 7.590 -2.174 165 H GLN 24 H GLN 24 -3.992 0.474 -0.504 166 HA GLN 24 HA GLN 24 -5.880 -0.699 -2.217 167 1HB GLN 24 1HB GLN 24 -3.282 -0.974 -2.051 168 2HB GLN 24 2HB GLN 24 -3.654 -2.271 -0.915 169 1HG GLN 24 1HG GLN 24 -4.992 -3.401 -2.699 170 2HG GLN 24 2HG GLN 24 -4.569 -2.090 -3.813 171 1HE2 GLN 24 2HE2 GLN 24 -2.682 -2.407 -5.070 172 2HE2 GLN 24 1HE2 GLN 24 -1.441 -3.569 -4.656 173 H TYR 25 H TYR 25 -5.006 -1.400 1.119 174 HA TYR 25 HA TYR 25 -6.868 -3.546 1.573 175 1HB TYR 25 1HB TYR 25 -4.760 -2.940 2.870 176 2HB TYR 25 2HB TYR 25 -5.652 -1.612 3.595 177 HD1 TYR 25 HD1 TYR 25 -7.212 -2.022 5.432 178 HD2 TYR 25 HD2 TYR 25 -5.383 -5.323 3.320 179 HE1 TYR 25 HE1 TYR 25 -8.001 -3.563 7.175 180 HE2 TYR 25 HE2 TYR 25 -6.159 -6.864 5.097 181 HH TYR 25 HH TYR 25 -7.794 -5.793 8.038 182 H LEU 26 H LEU 26 -7.500 -0.229 1.148 183 HA LEU 26 HA LEU 26 -10.159 -0.441 2.485 184 1HB LEU 26 1HB LEU 26 -8.338 1.900 1.823 185 2HB LEU 26 2HB LEU 26 -10.023 2.133 2.300 186 HG LEU 26 HG LEU 26 -7.986 0.669 3.965 187 1HD1 LEU 26 1HD1 LEU 26 -8.872 3.605 4.094 188 2HD1 LEU 26 2HD1 LEU 26 -7.243 2.994 3.679 189 3HD1 LEU 26 3HD1 LEU 26 -7.872 2.798 5.318 190 1HD2 LEU 26 1HD2 LEU 26 -10.332 0.147 4.582 191 2HD2 LEU 26 2HD2 LEU 26 -10.721 1.881 4.662 192 3HD2 LEU 26 3HD2 LEU 26 -9.608 1.150 5.834 193 H ASN 27 H ASN 27 -8.704 -0.627 -0.480 194 HA ASN 27 HA ASN 27 -11.073 0.374 -1.922 195 1HB ASN 27 1HB ASN 27 -8.079 0.253 -2.458 196 2HB ASN 27 2HB ASN 27 -9.112 -0.071 -3.774 197 1HD2 ASN 27 2HD2 ASN 27 -8.106 2.431 -1.501 198 2HD2 ASN 27 1HD2 ASN 27 -8.669 3.782 -2.463 199 H VAL 28 H VAL 28 -9.444 -2.465 -1.051 200 HA VAL 28 HA VAL 28 -10.874 -3.962 -3.197 201 HB VAL 28 HB VAL 28 -8.349 -4.520 -1.618 202 1HG1 VAL 28 1HG1 VAL 28 -8.058 -6.570 -3.006 203 2HG1 VAL 28 2HG1 VAL 28 -9.406 -6.703 -1.882 204 3HG1 VAL 28 3HG1 VAL 28 -9.720 -6.380 -3.604 205 1HG2 VAL 28 1HG2 VAL 28 -8.156 -2.939 -3.529 206 2HG2 VAL 28 2HG2 VAL 28 -7.299 -4.436 -3.859 207 3HG2 VAL 28 3HG2 VAL 28 -8.890 -4.152 -4.602 208 H VAL 29 H VAL 29 -10.757 -3.284 0.189 209 HA VAL 29 HA VAL 29 -11.918 -5.884 0.932 210 HB VAL 29 HB VAL 29 -11.187 -3.419 2.497 211 1HG1 VAL 29 1HG1 VAL 29 -12.544 -5.930 3.575 212 2HG1 VAL 29 2HG1 VAL 29 -11.773 -4.688 4.569 213 3HG1 VAL 29 3HG1 VAL 29 -13.204 -4.282 3.630 214 1HG2 VAL 29 1HG2 VAL 29 -10.237 -6.327 2.557 215 2HG2 VAL 29 2HG2 VAL 29 -9.377 -4.975 1.791 216 3HG2 VAL 29 3HG2 VAL 29 -9.593 -4.997 3.541 217 H THR 30 H THR 30 -13.195 -2.576 1.271 218 HA THR 30 HA THR 30 -15.843 -3.495 1.572 219 HB THR 30 HB THR 30 -16.110 -0.847 0.925 220 HG1 THR 30 HG1 THR 30 -14.238 0.122 1.982 221 1HG2 THR 30 1HG2 THR 30 -15.209 -2.107 3.536 222 2HG2 THR 30 2HG2 THR 30 -16.885 -1.908 2.980 223 3HG2 THR 30 3HG2 THR 30 -15.917 -0.488 3.392 224 H ARG 31 H ARG 31 -14.119 -2.521 -1.382 225 HA ARG 31 HA ARG 31 -16.476 -2.497 -2.976 226 1HB ARG 31 1HB ARG 31 -13.557 -2.852 -3.671 227 2HB ARG 31 2HB ARG 31 -14.799 -3.121 -4.892 228 1HG ARG 31 1HG ARG 31 -15.706 -0.809 -4.402 229 2HG ARG 31 2HG ARG 31 -14.272 -0.553 -3.400 230 1HD ARG 31 1HD ARG 31 -13.765 0.378 -5.547 231 2HD ARG 31 2HD ARG 31 -12.855 -1.119 -5.426 232 HE ARG 31 HE ARG 31 -14.026 -2.021 -7.136 233 1HH1 ARG 31 1HH1 ARG 31 -15.670 1.051 -6.292 234 2HH1 ARG 31 2HH1 ARG 31 -16.590 1.077 -7.750 235 1HH2 ARG 31 1HH2 ARG 31 -15.246 -1.861 -9.081 236 2HH2 ARG 31 2HH2 ARG 31 -16.305 -0.524 -9.354 237 H HIS 32 H HIS 32 -14.970 -5.232 -1.612 238 HA HIS 32 HA HIS 32 -16.426 -7.083 -3.432 239 1HB HIS 32 1HB HIS 32 -14.063 -7.407 -1.560 240 2HB HIS 32 2HB HIS 32 -14.992 -8.787 -2.084 241 HD1 HIS 32 HD1 HIS 32 -11.994 -8.569 -2.893 242 HD2 HIS 32 HD2 HIS 32 -15.280 -7.426 -5.262 243 HE1 HIS 32 HE1 HIS 32 -11.148 -8.481 -5.290 244 H ARG 33 H ARG 33 -17.230 -5.343 -0.866 245 HA ARG 33 HA ARG 33 -18.958 -7.449 0.318 246 1HB ARG 33 1HB ARG 33 -17.425 -5.321 1.876 247 2HB ARG 33 2HB ARG 33 -18.608 -6.448 2.544 248 1HG ARG 33 1HG ARG 33 -16.025 -7.395 1.231 249 2HG ARG 33 2HG ARG 33 -16.126 -6.910 2.916 250 1HD ARG 33 1HD ARG 33 -16.298 -9.278 2.812 251 2HD ARG 33 2HD ARG 33 -17.844 -8.614 3.340 252 HE ARG 33 HE ARG 33 -17.433 -9.284 0.461 253 1HH1 ARG 33 1HH1 ARG 33 -19.226 -9.957 3.488 254 2HH1 ARG 33 2HH1 ARG 33 -19.941 -11.407 2.841 255 1HH2 ARG 33 1HH2 ARG 33 -18.524 -11.118 -0.383 256 2HH2 ARG 33 2HH2 ARG 33 -19.768 -11.894 0.545 257 H TYR 34 H TYR 34 -18.735 -4.064 1.284 258 HA TYR 34 HA TYR 34 -21.429 -3.462 0.857 259 1HB TYR 34 1HB TYR 34 -19.746 -2.272 2.315 260 2HB TYR 34 2HB TYR 34 -19.005 -1.608 0.877 261 HD1 TYR 34 HD1 TYR 34 -19.395 0.693 0.783 262 HD2 TYR 34 HD2 TYR 34 -22.635 -1.874 2.016 263 HE1 TYR 34 HE1 TYR 34 -20.794 2.678 1.219 264 HE2 TYR 34 HE2 TYR 34 -24.035 0.108 2.436 265 HH TYR 34 HH TYR 34 -23.483 3.198 1.603 266 1HN NH2 35 1H NH2 35 -18.623 -3.177 -1.331 267 2HN NH2 35 2H NH2 35 -19.540 -2.638 -2.735 268 2HN ZAB 10 H AZO 10 10.667 1.155 4.304 269 2HA ZAB 10 2HA AZO 10 10.841 2.154 2.239 270 3HA ZAB 10 3HA AZO 10 10.014 3.570 2.927 271 HG2 ZAB 10 HG2 AZO 10 13.381 1.844 3.112 272 HD2 ZAB 10 HD2 AZO 10 15.519 3.091 3.234 273 HE ZAB 10 HE AZO 10 15.515 5.587 3.231 274 HG1 ZAB 10 HG1 AZO 10 11.225 5.568 2.992 275 HJ2 ZAB 10 HJ2 AZO 10 15.519 9.615 1.456 276 HK2 ZAB 10 HK2 AZO 10 16.452 9.562 -0.842 277 HL ZAB 10 HL AZO 10 15.755 7.777 -2.423 278 HJ1 ZAB 10 HJ1 AZO 10 13.134 6.131 0.558 279 2HM ZAB 10 2HM AZO 10 14.836 5.220 -2.306 280 3HM ZAB 10 3HM AZO 10 13.279 5.089 -1.473 Start of MODEL 12 1 1H GLY 1 H GLY 1 6.227 -18.808 14.322 2 1HA GLY 1 1HA GLY 1 3.817 -18.882 14.244 3 2HA GLY 1 2HA GLY 1 3.793 -17.535 15.418 4 HA PRO 2 HA PRO 2 3.544 -15.311 11.434 5 1HB PRO 2 1HB PRO 2 2.602 -12.938 12.372 6 2HB PRO 2 2HB PRO 2 1.549 -14.371 12.162 7 1HG PRO 2 1HG PRO 2 2.895 -13.404 14.696 8 2HG PRO 2 2HG PRO 2 1.195 -13.906 14.483 9 1HD PRO 2 1HD PRO 2 3.114 -15.575 15.476 10 2HD PRO 2 2HD PRO 2 1.801 -16.188 14.417 11 H SER 3 H SER 3 5.701 -15.032 10.875 12 HA SER 3 HA SER 3 7.587 -13.843 12.724 13 1HB SER 3 1HB SER 3 7.832 -14.442 9.739 14 2HB SER 3 2HB SER 3 9.162 -14.089 10.860 15 HG SER 3 HG SER 3 9.110 -16.210 10.651 16 H GLN 4 H GLN 4 8.760 -11.842 12.217 17 HA GLN 4 HA GLN 4 7.343 -9.965 10.357 18 1HB GLN 4 1HB GLN 4 6.612 -9.686 12.759 19 2HB GLN 4 2HB GLN 4 8.286 -9.303 13.147 20 1HG GLN 4 1HG GLN 4 7.857 -7.499 11.139 21 2HG GLN 4 2HG GLN 4 6.208 -7.665 11.741 22 1HE2 GLN 4 2HE2 GLN 4 5.704 -6.350 13.633 23 2HE2 GLN 4 1HE2 GLN 4 6.972 -5.664 14.607 24 HA PRO 5 HA PRO 5 11.976 -10.069 9.871 25 1HB PRO 5 1HB PRO 5 12.281 -11.088 7.396 26 2HB PRO 5 2HB PRO 5 11.994 -12.125 8.823 27 1HG PRO 5 1HG PRO 5 9.947 -11.172 6.805 28 2HG PRO 5 2HG PRO 5 10.208 -12.832 7.407 29 1HD PRO 5 1HD PRO 5 8.310 -11.183 8.510 30 2HD PRO 5 2HD PRO 5 9.240 -12.359 9.457 31 H THR 6 H THR 6 12.320 -7.891 9.769 32 HA THR 6 HA THR 6 11.127 -6.308 7.567 33 HB THR 6 HB THR 6 12.149 -4.407 8.741 34 HG1 THR 6 HG1 THR 6 13.028 -6.340 10.618 35 1HG2 THR 6 1HG2 THR 6 10.400 -6.148 10.514 36 2HG2 THR 6 2HG2 THR 6 9.896 -4.902 9.342 37 3HG2 THR 6 3HG2 THR 6 10.760 -4.440 10.805 38 H TYR 7 H TYR 7 12.559 -5.005 6.222 39 HA TYR 7 HA TYR 7 15.367 -5.903 5.978 40 1HB TYR 7 1HB TYR 7 13.224 -6.163 3.844 41 2HB TYR 7 2HB TYR 7 14.913 -5.937 3.443 42 HD1 TYR 7 HD1 TYR 7 12.536 -8.316 5.028 43 HD2 TYR 7 HD2 TYR 7 16.545 -7.648 3.670 44 HE1 TYR 7 HE1 TYR 7 12.945 -10.754 5.110 45 HE2 TYR 7 HE2 TYR 7 17.011 -10.062 3.794 46 HH TYR 7 HH TYR 7 14.595 -12.398 5.042 47 HA PRO 8 HA PRO 8 14.396 -1.335 5.690 48 1HB PRO 8 1HB PRO 8 16.117 -0.398 7.572 49 2HB PRO 8 2HB PRO 8 14.534 -1.108 8.027 50 1HG PRO 8 1HG PRO 8 17.245 -2.459 7.983 51 2HG PRO 8 2HG PRO 8 16.040 -2.462 9.316 52 1HD PRO 8 1HD PRO 8 16.266 -4.499 7.491 53 2HD PRO 8 2HD PRO 8 14.686 -4.017 8.189 54 H GLY 9 H GLY 9 15.962 0.361 4.928 55 1HA GLY 9 1HA GLY 9 18.689 0.173 4.524 56 2HA GLY 9 2HA GLY 9 18.020 -0.844 3.242 57 HA PRO 11 HA PRO 11 14.143 7.931 -1.816 58 1HB PRO 11 1HB PRO 11 13.437 5.328 -1.307 59 2HB PRO 11 2HB PRO 11 15.116 5.851 -1.623 60 1HG PRO 11 1HG PRO 11 13.813 5.314 1.047 61 2HG PRO 11 2HG PRO 11 15.435 4.833 0.465 62 1HD PRO 11 1HD PRO 11 15.016 7.032 2.065 63 2HD PRO 11 2HD PRO 11 16.318 6.963 0.843 64 H VAL 12 H VAL 12 12.329 9.237 -1.888 65 HA VAL 12 HA VAL 12 10.106 8.951 -0.036 66 HB VAL 12 HB VAL 12 10.551 10.511 -2.621 67 1HG1 VAL 12 1HG1 VAL 12 8.152 10.166 -2.529 68 2HG1 VAL 12 2HG1 VAL 12 8.128 10.551 -0.796 69 3HG1 VAL 12 3HG1 VAL 12 8.496 11.810 -1.993 70 1HG2 VAL 12 1HG2 VAL 12 10.509 12.431 -0.985 71 2HG2 VAL 12 2HG2 VAL 12 10.411 11.260 0.338 72 3HG2 VAL 12 3HG2 VAL 12 11.848 11.305 -0.694 73 H GLU 13 H GLU 13 11.004 7.433 -3.099 74 HA GLU 13 HA GLU 13 8.441 6.547 -3.917 75 1HB GLU 13 1HB GLU 13 11.107 5.090 -4.162 76 2HB GLU 13 2HB GLU 13 9.652 4.793 -5.131 77 1HG GLU 13 1HG GLU 13 9.811 7.174 -5.966 78 2HG GLU 13 2HG GLU 13 11.359 7.323 -5.124 79 H ASP 14 H ASP 14 10.644 5.336 -1.423 80 HA ASP 14 HA ASP 14 9.309 2.854 -0.972 81 1HB ASP 14 1HB ASP 14 11.481 4.439 0.325 82 2HB ASP 14 2HB ASP 14 10.513 3.548 1.482 83 H LEU 15 H LEU 15 8.463 6.115 -0.077 84 HA LEU 15 HA LEU 15 6.728 5.300 2.139 85 1HB LEU 15 1HB LEU 15 7.818 7.884 0.967 86 2HB LEU 15 2HB LEU 15 6.250 7.896 1.711 87 HG LEU 15 HG LEU 15 7.241 6.963 3.814 88 1HD1 LEU 15 1HD1 LEU 15 9.865 7.355 2.305 89 2HD1 LEU 15 2HD1 LEU 15 9.217 5.820 2.930 90 3HD1 LEU 15 3HD1 LEU 15 9.737 7.076 4.055 91 1HD2 LEU 15 1HD2 LEU 15 6.912 9.402 3.487 92 2HD2 LEU 15 2HD2 LEU 15 8.543 9.527 2.793 93 3HD2 LEU 15 3HD2 LEU 15 8.333 9.058 4.495 94 H ILE 16 H ILE 16 6.673 6.680 -1.190 95 HA ILE 16 HA ILE 16 3.925 7.060 -1.475 96 HB ILE 16 HB ILE 16 6.031 6.236 -3.511 97 1HG1 ILE 16 1HG1 ILE 16 6.495 8.426 -2.637 98 2HG1 ILE 16 2HG1 ILE 16 5.874 8.599 -4.259 99 1HG2 ILE 16 1HG2 ILE 16 3.936 5.561 -4.514 100 2HG2 ILE 16 2HG2 ILE 16 3.179 7.108 -4.097 101 3HG2 ILE 16 3HG2 ILE 16 4.496 7.032 -5.292 102 1HD1 ILE 16 1HD1 ILE 16 4.452 9.214 -1.640 103 2HD1 ILE 16 2HD1 ILE 16 4.907 10.318 -2.945 104 3HD1 ILE 16 3HD1 ILE 16 3.601 9.154 -3.200 105 H ARG 17 H ARG 17 5.654 4.067 -2.527 106 HA ARG 17 HA ARG 17 3.216 2.693 -3.097 107 1HB ARG 17 1HB ARG 17 5.908 1.506 -2.296 108 2HB ARG 17 2HB ARG 17 4.572 0.647 -3.082 109 1HG ARG 17 1HG ARG 17 4.755 2.388 -4.979 110 2HG ARG 17 2HG ARG 17 6.282 2.892 -4.236 111 1HD ARG 17 1HD ARG 17 5.575 0.195 -5.428 112 2HD ARG 17 2HD ARG 17 6.783 1.353 -5.980 113 HE ARG 17 HE ARG 17 6.972 -0.579 -3.787 114 1HH1 ARG 17 1HH1 ARG 17 8.672 2.078 -5.457 115 2HH1 ARG 17 2HH1 ARG 17 10.054 1.978 -4.393 116 1HH2 ARG 17 1HH2 ARG 17 8.818 -0.931 -2.756 117 2HH2 ARG 17 2HH2 ARG 17 10.251 0.020 -2.976 118 H PHE 18 H PHE 18 5.189 2.661 -0.139 119 HA PHE 18 HA PHE 18 3.712 0.865 1.366 120 1HB PHE 18 1HB PHE 18 5.946 1.776 1.823 121 2HB PHE 18 2HB PHE 18 5.253 3.343 2.222 122 HD1 PHE 18 HD1 PHE 18 4.467 3.787 4.442 123 HD2 PHE 18 HD2 PHE 18 5.480 -0.223 3.229 124 HE1 PHE 18 HE1 PHE 18 4.399 3.048 6.790 125 HE2 PHE 18 HE2 PHE 18 5.361 -0.963 5.608 126 HZ PHE 18 HZ PHE 18 4.856 0.666 7.388 127 H TYR 19 H TYR 19 2.986 4.246 0.690 128 HA TYR 19 HA TYR 19 0.832 4.413 2.661 129 1HB TYR 19 1HB TYR 19 2.505 6.248 1.614 130 2HB TYR 19 2HB TYR 19 1.232 6.420 0.439 131 HD1 TYR 19 HD1 TYR 19 -0.856 7.553 1.078 132 HD2 TYR 19 HD2 TYR 19 2.159 6.635 4.033 133 HE1 TYR 19 HE1 TYR 19 -1.906 9.150 2.638 134 HE2 TYR 19 HE2 TYR 19 1.123 8.237 5.608 135 HH TYR 19 HH TYR 19 -0.630 9.702 5.968 136 H ASN 20 H ASN 20 1.244 4.079 -0.848 137 HA ASN 20 HA ASN 20 -1.522 4.330 -1.561 138 1HB ASN 20 1HB ASN 20 0.552 4.501 -3.085 139 2HB ASN 20 2HB ASN 20 0.567 2.724 -3.101 140 1HD2 ASN 20 2HD2 ASN 20 0.192 2.997 -5.529 141 2HD2 ASN 20 1HD2 ASN 20 -1.359 3.604 -6.089 142 H ASP 21 H ASP 21 0.426 1.666 -0.385 143 HA ASP 21 HA ASP 21 -1.214 -0.565 -1.059 144 1HB ASP 21 1HB ASP 21 1.106 -0.745 -0.312 145 2HB ASP 21 2HB ASP 21 0.684 -0.085 1.270 146 H LEU 22 H LEU 22 -1.225 1.696 1.709 147 HA LEU 22 HA LEU 22 -3.225 0.460 3.293 148 1HB LEU 22 1HB LEU 22 -2.660 3.435 2.910 149 2HB LEU 22 2HB LEU 22 -3.663 2.793 4.170 150 HG LEU 22 HG LEU 22 -0.748 1.976 3.909 151 1HD1 LEU 22 1HD1 LEU 22 -0.874 4.438 4.111 152 2HD1 LEU 22 2HD1 LEU 22 -0.261 3.707 5.600 153 3HD1 LEU 22 3HD1 LEU 22 -1.945 4.275 5.515 154 1HD2 LEU 22 1HD2 LEU 22 -2.623 2.025 6.324 155 2HD2 LEU 22 2HD2 LEU 22 -0.978 1.369 6.259 156 3HD2 LEU 22 3HD2 LEU 22 -2.299 0.581 5.371 157 H GLN 23 H GLN 23 -3.512 2.828 0.620 158 HA GLN 23 HA GLN 23 -6.389 3.040 0.836 159 1HB GLN 23 1HB GLN 23 -4.471 3.708 -1.441 160 2HB GLN 23 2HB GLN 23 -6.219 3.959 -1.509 161 1HG GLN 23 1HG GLN 23 -6.017 5.418 0.543 162 2HG GLN 23 2HG GLN 23 -4.261 5.260 0.426 163 1HE2 GLN 23 2HE2 GLN 23 -3.824 7.521 -0.066 164 2HE2 GLN 23 1HE2 GLN 23 -4.331 8.207 -1.582 165 H GLN 24 H GLN 24 -4.232 0.742 -0.907 166 HA GLN 24 HA GLN 24 -6.427 -0.285 -2.457 167 1HB GLN 24 1HB GLN 24 -3.973 -0.503 -3.019 168 2HB GLN 24 2HB GLN 24 -3.904 -1.837 -1.855 169 1HG GLN 24 1HG GLN 24 -5.497 -3.134 -3.134 170 2HG GLN 24 2HG GLN 24 -6.033 -1.726 -4.037 171 1HE2 GLN 24 2HE2 GLN 24 -2.897 -3.600 -3.542 172 2HE2 GLN 24 1HE2 GLN 24 -2.456 -3.411 -5.216 173 H TYR 25 H TYR 25 -4.968 -1.147 0.620 174 HA TYR 25 HA TYR 25 -6.566 -3.425 1.277 175 1HB TYR 25 1HB TYR 25 -4.408 -2.588 2.371 176 2HB TYR 25 2HB TYR 25 -5.334 -1.316 3.109 177 HD1 TYR 25 HD1 TYR 25 -6.324 -1.628 5.214 178 HD2 TYR 25 HD2 TYR 25 -4.976 -5.058 2.958 179 HE1 TYR 25 HE1 TYR 25 -6.610 -3.028 7.193 180 HE2 TYR 25 HE2 TYR 25 -5.319 -6.495 4.943 181 HH TYR 25 HH TYR 25 -5.737 -6.471 7.354 182 H LEU 26 H LEU 26 -7.522 -0.177 0.949 183 HA LEU 26 HA LEU 26 -10.035 -0.634 2.456 184 1HB LEU 26 1HB LEU 26 -8.578 1.890 1.545 185 2HB LEU 26 2HB LEU 26 -10.183 1.924 2.264 186 HG LEU 26 HG LEU 26 -7.834 0.661 3.708 187 1HD1 LEU 26 1HD1 LEU 26 -7.123 2.897 3.259 188 2HD1 LEU 26 2HD1 LEU 26 -7.724 2.900 4.923 189 3HD1 LEU 26 3HD1 LEU 26 -8.731 3.549 3.591 190 1HD2 LEU 26 1HD2 LEU 26 -9.991 0.058 4.639 191 2HD2 LEU 26 2HD2 LEU 26 -10.576 1.724 4.543 192 3HD2 LEU 26 3HD2 LEU 26 -9.303 1.290 5.700 193 H ASN 27 H ASN 27 -8.833 -0.723 -0.642 194 HA ASN 27 HA ASN 27 -11.440 -0.077 -1.801 195 1HB ASN 27 1HB ASN 27 -8.573 0.318 -2.619 196 2HB ASN 27 2HB ASN 27 -9.730 -0.071 -3.826 197 1HD2 ASN 27 2HD2 ASN 27 -8.497 2.410 -1.880 198 2HD2 ASN 27 1HD2 ASN 27 -9.746 3.624 -2.072 199 H VAL 28 H VAL 28 -9.359 -2.700 -1.139 200 HA VAL 28 HA VAL 28 -10.881 -4.375 -3.085 201 HB VAL 28 HB VAL 28 -8.241 -4.842 -1.623 202 1HG1 VAL 28 1HG1 VAL 28 -8.044 -6.853 -3.153 203 2HG1 VAL 28 2HG1 VAL 28 -9.285 -7.016 -1.912 204 3HG1 VAL 28 3HG1 VAL 28 -9.747 -6.631 -3.590 205 1HG2 VAL 28 1HG2 VAL 28 -7.282 -4.734 -3.915 206 2HG2 VAL 28 2HG2 VAL 28 -8.910 -4.375 -4.555 207 3HG2 VAL 28 3HG2 VAL 28 -8.078 -3.217 -3.492 208 H VAL 29 H VAL 29 -10.529 -3.614 0.298 209 HA VAL 29 HA VAL 29 -11.799 -6.073 1.149 210 HB VAL 29 HB VAL 29 -10.809 -3.597 2.547 211 1HG1 VAL 29 1HG1 VAL 29 -12.767 -4.381 3.854 212 2HG1 VAL 29 2HG1 VAL 29 -12.157 -6.051 3.802 213 3HG1 VAL 29 3HG1 VAL 29 -11.277 -4.794 4.697 214 1HG2 VAL 29 1HG2 VAL 29 -9.109 -5.188 1.751 215 2HG2 VAL 29 2HG2 VAL 29 -9.193 -5.185 3.510 216 3HG2 VAL 29 3HG2 VAL 29 -9.932 -6.517 2.598 217 H THR 30 H THR 30 -12.812 -2.675 1.512 218 HA THR 30 HA THR 30 -15.487 -3.387 1.943 219 HB THR 30 HB THR 30 -15.433 -0.701 0.978 220 HG1 THR 30 HG1 THR 30 -13.692 0.114 1.680 221 1HG2 THR 30 1HG2 THR 30 -15.929 -0.131 3.294 222 2HG2 THR 30 2HG2 THR 30 -15.415 -1.750 3.835 223 3HG2 THR 30 3HG2 THR 30 -16.855 -1.555 2.802 224 H ARG 31 H ARG 31 -14.001 -2.497 -1.160 225 HA ARG 31 HA ARG 31 -16.396 -2.149 -2.572 226 1HB ARG 31 1HB ARG 31 -14.100 -1.667 -3.415 227 2HB ARG 31 2HB ARG 31 -13.841 -3.406 -3.664 228 1HG ARG 31 1HG ARG 31 -15.675 -3.424 -5.347 229 2HG ARG 31 2HG ARG 31 -15.996 -1.725 -5.005 230 1HD ARG 31 1HD ARG 31 -14.711 -1.639 -6.964 231 2HD ARG 31 2HD ARG 31 -13.576 -1.261 -5.670 232 HE ARG 31 HE ARG 31 -12.302 -2.972 -6.328 233 1HH1 ARG 31 1HH1 ARG 31 -15.566 -3.646 -7.531 234 2HH1 ARG 31 2HH1 ARG 31 -15.138 -5.135 -8.315 235 1HH2 ARG 31 1HH2 ARG 31 -11.646 -4.681 -7.726 236 2HH2 ARG 31 2HH2 ARG 31 -12.825 -5.427 -8.725 237 H HIS 32 H HIS 32 -15.084 -5.092 -1.467 238 HA HIS 32 HA HIS 32 -16.927 -6.728 -3.110 239 1HB HIS 32 1HB HIS 32 -14.323 -7.100 -2.605 240 2HB HIS 32 2HB HIS 32 -14.964 -7.911 -1.180 241 HD1 HIS 32 HD1 HIS 32 -16.698 -10.066 -1.821 242 HD2 HIS 32 HD2 HIS 32 -14.370 -8.330 -4.877 243 HE1 HIS 32 HE1 HIS 32 -16.686 -11.731 -3.742 244 H ARG 33 H ARG 33 -17.515 -5.008 -0.449 245 HA ARG 33 HA ARG 33 -19.268 -7.079 0.737 246 1HB ARG 33 1HB ARG 33 -17.436 -5.366 2.467 247 2HB ARG 33 2HB ARG 33 -18.682 -6.491 3.029 248 1HG ARG 33 1HG ARG 33 -17.424 -8.346 1.831 249 2HG ARG 33 2HG ARG 33 -16.136 -7.179 1.516 250 1HD ARG 33 1HD ARG 33 -15.930 -6.879 4.014 251 2HD ARG 33 2HD ARG 33 -17.088 -8.205 4.210 252 HE ARG 33 HE ARG 33 -14.585 -8.508 2.606 253 1HH1 ARG 33 1HH1 ARG 33 -16.618 -9.865 5.220 254 2HH1 ARG 33 2HH1 ARG 33 -15.437 -11.072 5.618 255 1HH2 ARG 33 1HH2 ARG 33 -13.141 -10.263 3.122 256 2HH2 ARG 33 2HH2 ARG 33 -13.497 -11.221 4.527 257 H TYR 34 H TYR 34 -18.447 -3.553 0.682 258 HA TYR 34 HA TYR 34 -19.667 -1.745 0.795 259 1HB TYR 34 1HB TYR 34 -20.759 -2.614 -1.238 260 2HB TYR 34 2HB TYR 34 -21.982 -3.377 -0.229 261 HD1 TYR 34 HD1 TYR 34 -23.954 -2.153 0.340 262 HD2 TYR 34 HD2 TYR 34 -20.407 -0.022 -0.885 263 HE1 TYR 34 HE1 TYR 34 -25.180 -0.016 0.530 264 HE2 TYR 34 HE2 TYR 34 -21.616 2.125 -0.635 265 HH TYR 34 HH TYR 34 -23.527 3.115 0.351 266 1HN NH2 35 1H NH2 35 -19.128 -2.788 3.235 267 2HN NH2 35 2H NH2 35 -20.566 -2.813 4.215 268 2HN ZAB 10 H AZO 10 16.113 1.926 4.213 269 2HA ZAB 10 2HA AZO 10 16.964 3.445 1.785 270 3HA ZAB 10 3HA AZO 10 15.276 3.272 2.311 271 HG2 ZAB 10 HG2 AZO 10 14.498 4.308 4.433 272 HD2 ZAB 10 HD2 AZO 10 14.794 6.198 6.009 273 HE ZAB 10 HE AZO 10 16.962 7.480 6.007 274 HG1 ZAB 10 HG1 AZO 10 18.499 4.923 2.937 275 HJ2 ZAB 10 HJ2 AZO 10 20.699 9.039 2.164 276 HK2 ZAB 10 HK2 AZO 10 19.791 10.351 0.218 277 HL ZAB 10 HL AZO 10 17.337 10.684 0.010 278 HJ1 ZAB 10 HJ1 AZO 10 16.712 8.411 3.604 279 2HM ZAB 10 2HM AZO 10 14.890 9.338 2.573 280 3HM ZAB 10 3HM AZO 10 15.209 10.893 1.815 Start of MODEL 13 1 1H GLY 1 H GLY 1 31.215 9.088 -14.713 2 1HA GLY 1 1HA GLY 1 33.253 10.753 -13.335 3 2HA GLY 1 2HA GLY 1 31.486 10.930 -13.175 4 HA PRO 2 HA PRO 2 32.825 8.116 -9.777 5 1HB PRO 2 1HB PRO 2 31.101 8.969 -7.840 6 2HB PRO 2 2HB PRO 2 32.584 9.880 -8.263 7 1HG PRO 2 1HG PRO 2 29.747 10.382 -9.226 8 2HG PRO 2 2HG PRO 2 30.931 11.570 -8.582 9 1HD PRO 2 1HD PRO 2 30.536 11.160 -11.264 10 2HD PRO 2 2HD PRO 2 32.135 11.602 -10.593 11 H SER 3 H SER 3 31.699 6.250 -8.842 12 HA SER 3 HA SER 3 29.337 5.445 -10.332 13 1HB SER 3 1HB SER 3 31.308 3.934 -8.575 14 2HB SER 3 2HB SER 3 29.933 3.213 -9.442 15 HG SER 3 HG SER 3 31.989 3.143 -10.591 16 H GLN 4 H GLN 4 27.328 5.243 -9.345 17 HA GLN 4 HA GLN 4 27.146 5.434 -6.391 18 1HB GLN 4 1HB GLN 4 25.600 7.156 -8.372 19 2HB GLN 4 2HB GLN 4 25.349 7.093 -6.625 20 1HG GLN 4 1HG GLN 4 27.661 7.955 -6.262 21 2HG GLN 4 2HG GLN 4 27.909 8.040 -8.009 22 1HE2 GLN 4 2HE2 GLN 4 26.778 9.799 -5.302 23 2HE2 GLN 4 1HE2 GLN 4 26.053 11.118 -6.202 24 HA PRO 5 HA PRO 5 24.713 2.124 -8.643 25 1HB PRO 5 1HB PRO 5 25.497 -0.038 -7.095 26 2HB PRO 5 2HB PRO 5 26.375 0.528 -8.552 27 1HG PRO 5 1HG PRO 5 26.933 1.181 -5.647 28 2HG PRO 5 2HG PRO 5 28.089 0.647 -6.903 29 1HD PRO 5 1HD PRO 5 27.804 3.262 -6.261 30 2HD PRO 5 2HD PRO 5 28.034 2.763 -7.963 31 H THR 6 H THR 6 22.947 0.792 -7.871 32 HA THR 6 HA THR 6 21.592 2.075 -5.612 33 HB THR 6 HB THR 6 20.423 1.671 -7.699 34 HG1 THR 6 HG1 THR 6 19.041 -0.048 -6.050 35 1HG2 THR 6 1HG2 THR 6 19.613 -0.560 -8.362 36 2HG2 THR 6 2HG2 THR 6 20.711 -1.297 -7.171 37 3HG2 THR 6 3HG2 THR 6 21.355 -0.393 -8.555 38 H TYR 7 H TYR 7 20.491 0.650 -4.010 39 HA TYR 7 HA TYR 7 21.795 -1.886 -3.356 40 1HB TYR 7 1HB TYR 7 22.143 0.665 -1.788 41 2HB TYR 7 2HB TYR 7 22.088 -0.839 -0.907 42 HD1 TYR 7 HD1 TYR 7 24.195 1.377 -2.760 43 HD2 TYR 7 HD2 TYR 7 23.623 -2.814 -1.864 44 HE1 TYR 7 HE1 TYR 7 26.478 0.896 -3.539 45 HE2 TYR 7 HE2 TYR 7 25.870 -3.308 -2.732 46 HH TYR 7 HH TYR 7 28.208 -1.692 -3.003 47 HA PRO 8 HA PRO 8 17.743 -2.797 -2.116 48 1HB PRO 8 1HB PRO 8 17.928 -4.620 -0.114 49 2HB PRO 8 2HB PRO 8 18.584 -4.935 -1.753 50 1HG PRO 8 1HG PRO 8 20.102 -3.977 0.687 51 2HG PRO 8 2HG PRO 8 20.522 -5.325 -0.420 52 1HD PRO 8 1HD PRO 8 21.555 -2.825 -0.666 53 2HD PRO 8 2HD PRO 8 21.245 -3.842 -2.091 54 H GLY 9 H GLY 9 16.027 -2.600 -0.642 55 1HA GLY 9 1HA GLY 9 15.042 -2.211 1.460 56 2HA GLY 9 2HA GLY 9 16.408 -1.193 1.943 57 HA PRO 11 HA PRO 11 14.288 7.561 -3.868 58 1HB PRO 11 1HB PRO 11 13.049 5.155 -3.531 59 2HB PRO 11 2HB PRO 11 14.744 5.276 -4.093 60 1HG PRO 11 1HG PRO 11 13.763 4.781 -1.262 61 2HG PRO 11 2HG PRO 11 14.991 3.868 -2.189 62 1HD PRO 11 1HD PRO 11 15.658 5.846 -0.418 63 2HD PRO 11 2HD PRO 11 16.603 5.574 -1.914 64 H VAL 12 H VAL 12 12.041 7.937 -4.110 65 HA VAL 12 HA VAL 12 10.465 8.215 -1.592 66 HB VAL 12 HB VAL 12 10.245 9.871 -4.127 67 1HG1 VAL 12 1HG1 VAL 12 8.921 11.417 -2.721 68 2HG1 VAL 12 2HG1 VAL 12 8.143 9.841 -2.764 69 3HG1 VAL 12 3HG1 VAL 12 9.076 10.319 -1.336 70 1HG2 VAL 12 1HG2 VAL 12 11.258 11.699 -2.712 71 2HG2 VAL 12 2HG2 VAL 12 11.641 10.479 -1.492 72 3HG2 VAL 12 3HG2 VAL 12 12.397 10.398 -3.097 73 H GLU 13 H GLU 13 10.700 6.463 -4.584 74 HA GLU 13 HA GLU 13 7.945 6.055 -5.087 75 1HB GLU 13 1HB GLU 13 10.275 4.143 -5.561 76 2HB GLU 13 2HB GLU 13 8.654 4.052 -6.290 77 1HG GLU 13 1HG GLU 13 9.031 6.314 -7.274 78 2HG GLU 13 2HG GLU 13 10.720 6.214 -6.783 79 H ASP 14 H ASP 14 10.098 4.685 -2.667 80 HA ASP 14 HA ASP 14 8.470 2.384 -2.056 81 1HB ASP 14 1HB ASP 14 10.866 2.491 -1.456 82 2HB ASP 14 2HB ASP 14 10.500 3.779 -0.295 83 H LEU 15 H LEU 15 8.620 5.732 -0.954 84 HA LEU 15 HA LEU 15 6.810 5.512 1.204 85 1HB LEU 15 1HB LEU 15 8.454 7.503 0.040 86 2HB LEU 15 2HB LEU 15 6.842 8.099 -0.293 87 HG LEU 15 HG LEU 15 7.662 9.016 1.718 88 1HD1 LEU 15 1HD1 LEU 15 5.912 8.509 3.309 89 2HD1 LEU 15 2HD1 LEU 15 5.611 6.908 2.551 90 3HD1 LEU 15 3HD1 LEU 15 5.229 8.408 1.680 91 1HD2 LEU 15 1HD2 LEU 15 8.340 7.724 3.686 92 2HD2 LEU 15 2HD2 LEU 15 9.313 7.313 2.265 93 3HD2 LEU 15 3HD2 LEU 15 8.050 6.201 2.829 94 H ILE 16 H ILE 16 6.397 6.463 -2.215 95 HA ILE 16 HA ILE 16 3.609 6.941 -2.070 96 HB ILE 16 HB ILE 16 5.259 5.992 -4.441 97 1HG1 ILE 16 1HG1 ILE 16 6.087 8.131 -3.595 98 2HG1 ILE 16 2HG1 ILE 16 5.350 8.294 -5.180 99 1HG2 ILE 16 1HG2 ILE 16 3.431 6.982 -5.846 100 2HG2 ILE 16 2HG2 ILE 16 2.925 5.564 -4.937 101 3HG2 ILE 16 3HG2 ILE 16 2.444 7.174 -4.385 102 1HD1 ILE 16 1HD1 ILE 16 4.051 9.084 -2.547 103 2HD1 ILE 16 2HD1 ILE 16 4.805 10.186 -3.710 104 3HD1 ILE 16 3HD1 ILE 16 3.335 9.303 -4.160 105 H ARG 17 H ARG 17 5.340 3.872 -3.023 106 HA ARG 17 HA ARG 17 2.831 2.528 -3.228 107 1HB ARG 17 1HB ARG 17 4.026 0.477 -3.535 108 2HB ARG 17 2HB ARG 17 4.996 1.722 -4.304 109 1HG ARG 17 1HG ARG 17 6.413 1.838 -2.262 110 2HG ARG 17 2HG ARG 17 5.459 0.547 -1.523 111 1HD ARG 17 1HD ARG 17 6.165 -0.912 -3.482 112 2HD ARG 17 2HD ARG 17 7.336 0.348 -3.883 113 HE ARG 17 HE ARG 17 8.406 0.042 -1.717 114 1HH1 ARG 17 1HH1 ARG 17 5.972 -2.510 -2.388 115 2HH1 ARG 17 2HH1 ARG 17 6.393 -3.365 -0.937 116 1HH2 ARG 17 1HH2 ARG 17 8.978 -1.138 -0.049 117 2HH2 ARG 17 2HH2 ARG 17 8.419 -2.785 0.209 118 H PHE 18 H PHE 18 4.865 3.064 -0.408 119 HA PHE 18 HA PHE 18 3.557 1.116 1.241 120 1HB PHE 18 1HB PHE 18 5.680 2.134 1.868 121 2HB PHE 18 2HB PHE 18 4.988 3.748 1.835 122 HD1 PHE 18 HD1 PHE 18 3.602 4.593 3.661 123 HD2 PHE 18 HD2 PHE 18 5.167 0.571 3.714 124 HE1 PHE 18 HE1 PHE 18 2.992 4.389 6.050 125 HE2 PHE 18 HE2 PHE 18 4.570 0.376 6.096 126 HZ PHE 18 HZ PHE 18 3.449 2.281 7.281 127 H TYR 19 H TYR 19 2.911 4.526 0.387 128 HA TYR 19 HA TYR 19 0.675 4.875 2.155 129 1HB TYR 19 1HB TYR 19 2.122 6.459 0.230 130 2HB TYR 19 2HB TYR 19 0.449 6.515 -0.238 131 HD1 TYR 19 HD1 TYR 19 -1.281 7.425 1.336 132 HD2 TYR 19 HD2 TYR 19 2.935 7.537 2.219 133 HE1 TYR 19 HE1 TYR 19 -1.710 9.124 3.083 134 HE2 TYR 19 HE2 TYR 19 2.542 9.244 3.958 135 HH TYR 19 HH TYR 19 -0.412 10.963 4.388 136 H ASN 20 H ASN 20 0.967 4.025 -1.271 137 HA ASN 20 HA ASN 20 -1.822 3.785 -1.784 138 1HB ASN 20 1HB ASN 20 0.663 2.900 -3.238 139 2HB ASN 20 2HB ASN 20 -0.886 2.199 -3.693 140 1HD2 ASN 20 2HD2 ASN 20 -0.910 3.304 -5.816 141 2HD2 ASN 20 1HD2 ASN 20 -1.209 5.037 -5.821 142 H ASP 21 H ASP 21 0.453 1.505 -0.265 143 HA ASP 21 HA ASP 21 -1.163 -0.822 -0.658 144 1HB ASP 21 1HB ASP 21 1.276 -0.760 0.071 145 2HB ASP 21 2HB ASP 21 0.701 -0.370 1.697 146 H LEU 22 H LEU 22 -0.950 1.539 2.062 147 HA LEU 22 HA LEU 22 -2.848 0.328 3.734 148 1HB LEU 22 1HB LEU 22 -2.047 3.251 3.368 149 2HB LEU 22 2HB LEU 22 -3.357 2.764 4.437 150 HG LEU 22 HG LEU 22 -1.715 1.204 5.605 151 1HD1 LEU 22 1HD1 LEU 22 0.129 1.273 3.989 152 2HD1 LEU 22 2HD1 LEU 22 0.645 1.887 5.563 153 3HD1 LEU 22 3HD1 LEU 22 0.307 3.027 4.240 154 1HD2 LEU 22 1HD2 LEU 22 -0.912 3.084 7.011 155 2HD2 LEU 22 2HD2 LEU 22 -2.613 3.293 6.578 156 3HD2 LEU 22 3HD2 LEU 22 -1.356 4.235 5.739 157 H GLN 23 H GLN 23 -3.380 2.749 1.112 158 HA GLN 23 HA GLN 23 -6.277 2.721 1.621 159 1HB GLN 23 1HB GLN 23 -6.519 4.053 -0.419 160 2HB GLN 23 2HB GLN 23 -5.447 4.791 0.756 161 1HG GLN 23 1HG GLN 23 -3.554 4.517 -0.564 162 2HG GLN 23 2HG GLN 23 -4.213 3.111 -1.405 163 1HE2 GLN 23 2HE2 GLN 23 -4.003 6.631 -1.507 164 2HE2 GLN 23 1HE2 GLN 23 -4.824 6.760 -3.050 165 H GLN 24 H GLN 24 -4.080 0.696 -0.406 166 HA GLN 24 HA GLN 24 -5.989 -0.129 -2.262 167 1HB GLN 24 1HB GLN 24 -3.252 -0.751 -1.334 168 2HB GLN 24 2HB GLN 24 -4.121 -2.186 -1.652 169 1HG GLN 24 1HG GLN 24 -4.603 -1.554 -3.911 170 2HG GLN 24 2HG GLN 24 -4.115 0.122 -3.624 171 1HE2 GLN 24 2HE2 GLN 24 -3.008 -0.861 -5.786 172 2HE2 GLN 24 1HE2 GLN 24 -1.361 -1.441 -5.542 173 H TYR 25 H TYR 25 -5.037 -1.325 0.918 174 HA TYR 25 HA TYR 25 -6.807 -3.609 1.036 175 1HB TYR 25 1HB TYR 25 -4.900 -3.124 2.631 176 2HB TYR 25 2HB TYR 25 -5.836 -1.805 3.314 177 HD1 TYR 25 HD1 TYR 25 -7.615 -2.247 4.917 178 HD2 TYR 25 HD2 TYR 25 -5.664 -5.501 2.859 179 HE1 TYR 25 HE1 TYR 25 -8.737 -3.841 6.389 180 HE2 TYR 25 HE2 TYR 25 -6.780 -7.119 4.338 181 HH TYR 25 HH TYR 25 -9.179 -6.086 6.831 182 H LEU 26 H LEU 26 -7.325 -0.241 2.202 183 HA LEU 26 HA LEU 26 -10.026 -0.785 2.749 184 1HB LEU 26 1HB LEU 26 -8.648 1.852 2.077 185 2HB LEU 26 2HB LEU 26 -10.306 1.780 2.653 186 HG LEU 26 HG LEU 26 -7.938 0.700 4.220 187 1HD1 LEU 26 1HD1 LEU 26 -8.231 2.786 5.594 188 2HD1 LEU 26 2HD1 LEU 26 -9.375 3.393 4.372 189 3HD1 LEU 26 3HD1 LEU 26 -7.683 3.100 3.945 190 1HD2 LEU 26 1HD2 LEU 26 -10.845 1.261 5.007 191 2HD2 LEU 26 2HD2 LEU 26 -9.548 0.819 6.139 192 3HD2 LEU 26 3HD2 LEU 26 -10.048 -0.336 4.911 193 H ASN 27 H ASN 27 -8.719 -0.266 -0.277 194 HA ASN 27 HA ASN 27 -11.279 0.353 -1.543 195 1HB ASN 27 1HB ASN 27 -8.332 0.196 -2.282 196 2HB ASN 27 2HB ASN 27 -9.521 0.165 -3.517 197 1HD2 ASN 27 2HD2 ASN 27 -7.721 2.228 -3.511 198 2HD2 ASN 27 1HD2 ASN 27 -8.476 3.726 -2.949 199 H VAL 28 H VAL 28 -9.168 -2.415 -1.127 200 HA VAL 28 HA VAL 28 -10.684 -3.999 -3.129 201 HB VAL 28 HB VAL 28 -8.161 -4.547 -1.517 202 1HG1 VAL 28 1HG1 VAL 28 -9.514 -6.293 -3.628 203 2HG1 VAL 28 2HG1 VAL 28 -7.862 -6.526 -3.004 204 3HG1 VAL 28 3HG1 VAL 28 -9.237 -6.699 -1.924 205 1HG2 VAL 28 1HG2 VAL 28 -8.585 -4.104 -4.519 206 2HG2 VAL 28 2HG2 VAL 28 -7.919 -2.896 -3.411 207 3HG2 VAL 28 3HG2 VAL 28 -7.034 -4.391 -3.702 208 H VAL 29 H VAL 29 -10.548 -3.364 0.308 209 HA VAL 29 HA VAL 29 -11.976 -5.806 1.037 210 HB VAL 29 HB VAL 29 -10.985 -3.368 2.524 211 1HG1 VAL 29 1HG1 VAL 29 -11.928 -4.323 4.636 212 2HG1 VAL 29 2HG1 VAL 29 -13.212 -3.804 3.556 213 3HG1 VAL 29 3HG1 VAL 29 -12.825 -5.533 3.689 214 1HG2 VAL 29 1HG2 VAL 29 -10.511 -6.355 2.793 215 2HG2 VAL 29 2HG2 VAL 29 -9.376 -5.093 2.210 216 3HG2 VAL 29 3HG2 VAL 29 -9.884 -5.116 3.885 217 H THR 30 H THR 30 -12.851 -2.345 0.936 218 HA THR 30 HA THR 30 -15.522 -2.598 1.527 219 HB THR 30 HB THR 30 -15.636 -0.454 0.183 220 HG1 THR 30 HG1 THR 30 -12.899 -0.267 0.141 221 1HG2 THR 30 1HG2 THR 30 -13.630 -0.744 2.431 222 2HG2 THR 30 2HG2 THR 30 -15.336 -0.258 2.519 223 3HG2 THR 30 3HG2 THR 30 -14.151 0.819 1.771 224 H ARG 31 H ARG 31 -14.073 -2.444 -1.709 225 HA ARG 31 HA ARG 31 -16.441 -2.915 -3.165 226 1HB ARG 31 1HB ARG 31 -14.271 -1.890 -3.851 227 2HB ARG 31 2HB ARG 31 -13.546 -3.503 -3.917 228 1HG ARG 31 1HG ARG 31 -14.860 -4.109 -5.799 229 2HG ARG 31 2HG ARG 31 -16.016 -2.794 -5.543 230 1HD ARG 31 1HD ARG 31 -14.449 -2.312 -7.431 231 2HD ARG 31 2HD ARG 31 -14.364 -1.112 -6.136 232 HE ARG 31 HE ARG 31 -12.231 -1.762 -5.597 233 1HH1 ARG 31 1HH1 ARG 31 -13.599 -4.209 -7.807 234 2HH1 ARG 31 2HH1 ARG 31 -12.141 -5.112 -7.926 235 1HH2 ARG 31 1HH2 ARG 31 -10.239 -2.765 -6.021 236 2HH2 ARG 31 2HH2 ARG 31 -10.143 -4.181 -6.986 237 H HIS 32 H HIS 32 -14.984 -5.192 -1.185 238 HA HIS 32 HA HIS 32 -16.130 -7.515 -2.653 239 1HB HIS 32 1HB HIS 32 -13.594 -7.198 -2.580 240 2HB HIS 32 2HB HIS 32 -13.694 -7.367 -0.834 241 HD1 HIS 32 HD1 HIS 32 -15.407 -10.048 -0.628 242 HD2 HIS 32 HD2 HIS 32 -12.257 -9.218 -3.298 243 HE1 HIS 32 HE1 HIS 32 -14.324 -12.292 -1.180 244 H ARG 33 H ARG 33 -16.801 -5.436 -0.157 245 HA ARG 33 HA ARG 33 -18.143 -7.559 1.389 246 1HB ARG 33 1HB ARG 33 -15.744 -7.340 2.217 247 2HB ARG 33 2HB ARG 33 -16.117 -5.691 2.707 248 1HG ARG 33 1HG ARG 33 -17.888 -6.598 4.234 249 2HG ARG 33 2HG ARG 33 -17.438 -8.243 3.708 250 1HD ARG 33 1HD ARG 33 -15.096 -7.779 4.493 251 2HD ARG 33 2HD ARG 33 -15.638 -6.218 5.110 252 HE ARG 33 HE ARG 33 -17.168 -7.376 6.634 253 1HH1 ARG 33 1HH1 ARG 33 -14.670 -9.491 5.181 254 2HH1 ARG 33 2HH1 ARG 33 -14.685 -10.603 6.484 255 1HH2 ARG 33 1HH2 ARG 33 -17.184 -8.772 8.276 256 2HH2 ARG 33 2HH2 ARG 33 -16.099 -10.137 8.415 257 H TYR 34 H TYR 34 -17.426 -4.065 1.183 258 HA TYR 34 HA TYR 34 -19.620 -3.232 2.931 259 1HB TYR 34 1HB TYR 34 -17.431 -1.983 2.627 260 2HB TYR 34 2HB TYR 34 -17.887 -1.665 0.967 261 HD1 TYR 34 HD1 TYR 34 -19.661 -0.019 0.415 262 HD2 TYR 34 HD2 TYR 34 -18.391 -0.725 4.487 263 HE1 TYR 34 HE1 TYR 34 -20.493 2.208 1.055 264 HE2 TYR 34 HE2 TYR 34 -19.261 1.485 5.143 265 HH TYR 34 HH TYR 34 -20.445 3.434 4.411 266 1HN NH2 35 1H NH2 35 -21.414 -1.761 1.914 267 2HN NH2 35 2H NH2 35 -21.960 -2.191 0.318 268 2HN ZAB 10 H AZO 10 16.574 0.849 1.113 269 2HA ZAB 10 2HA AZO 10 15.939 2.641 -0.445 270 3HA ZAB 10 3HA AZO 10 14.260 2.044 -0.388 271 HG2 ZAB 10 HG2 AZO 10 12.869 2.354 1.612 272 HD2 ZAB 10 HD2 AZO 10 12.478 3.691 3.659 273 HE ZAB 10 HE AZO 10 14.282 5.109 4.598 274 HG1 ZAB 10 HG1 AZO 10 16.948 3.781 1.491 275 HJ2 ZAB 10 HJ2 AZO 10 15.459 8.521 4.471 276 HK2 ZAB 10 HK2 AZO 10 14.870 10.418 2.984 277 HL ZAB 10 HL AZO 10 15.535 10.379 0.595 278 HJ1 ZAB 10 HJ1 AZO 10 17.433 6.547 1.189 279 2HM ZAB 10 2HM AZO 10 17.456 9.357 -0.950 280 3HM ZAB 10 3HM AZO 10 17.588 7.600 -0.921 Start of MODEL 14 1 1H GLY 1 H GLY 1 7.396 -16.951 -10.780 2 1HA GLY 1 1HA GLY 1 7.323 -14.728 -8.826 3 2HA GLY 1 2HA GLY 1 8.511 -14.805 -10.145 4 HA PRO 2 HA PRO 2 4.134 -13.792 -11.856 5 1HB PRO 2 1HB PRO 2 3.022 -11.565 -10.705 6 2HB PRO 2 2HB PRO 2 2.765 -13.206 -10.049 7 1HG PRO 2 1HG PRO 2 4.800 -11.151 -9.129 8 2HG PRO 2 2HG PRO 2 3.654 -12.108 -8.132 9 1HD PRO 2 1HD PRO 2 6.250 -12.878 -8.486 10 2HD PRO 2 2HD PRO 2 4.914 -14.054 -8.371 11 H SER 3 H SER 3 3.696 -11.952 -13.383 12 HA SER 3 HA SER 3 6.152 -10.627 -14.145 13 1HB SER 3 1HB SER 3 3.340 -10.334 -15.293 14 2HB SER 3 2HB SER 3 4.872 -9.906 -16.085 15 HG SER 3 HG SER 3 5.450 -12.179 -15.799 16 H GLN 4 H GLN 4 6.809 -8.683 -13.256 17 HA GLN 4 HA GLN 4 4.753 -6.739 -12.304 18 1HB GLN 4 1HB GLN 4 7.344 -7.507 -10.906 19 2HB GLN 4 2HB GLN 4 6.259 -6.222 -10.417 20 1HG GLN 4 1HG GLN 4 5.569 -9.189 -10.486 21 2HG GLN 4 2HG GLN 4 6.012 -8.280 -9.058 22 1HE2 GLN 4 2HE2 GLN 4 3.395 -9.599 -10.420 23 2HE2 GLN 4 1HE2 GLN 4 2.167 -8.525 -9.868 24 HA PRO 5 HA PRO 5 7.833 -4.936 -15.275 25 1HB PRO 5 1HB PRO 5 6.119 -3.683 -16.999 26 2HB PRO 5 2HB PRO 5 6.529 -5.424 -17.125 27 1HG PRO 5 1HG PRO 5 4.097 -4.169 -15.815 28 2HG PRO 5 2HG PRO 5 4.140 -5.544 -16.951 29 1HD PRO 5 1HD PRO 5 4.004 -5.887 -14.249 30 2HD PRO 5 2HD PRO 5 4.909 -7.018 -15.300 31 H THR 6 H THR 6 8.766 -3.259 -14.211 32 HA THR 6 HA THR 6 7.882 -0.651 -14.146 33 HB THR 6 HB THR 6 6.275 -1.265 -12.433 34 HG1 THR 6 HG1 THR 6 7.030 0.240 -10.856 35 1HG2 THR 6 1HG2 THR 6 6.900 -2.062 -10.214 36 2HG2 THR 6 2HG2 THR 6 8.581 -2.283 -10.733 37 3HG2 THR 6 3HG2 THR 6 7.293 -3.274 -11.438 38 H TYR 7 H TYR 7 9.506 0.290 -12.102 39 HA TYR 7 HA TYR 7 12.082 -1.037 -12.173 40 1HB TYR 7 1HB TYR 7 12.364 0.053 -14.293 41 2HB TYR 7 2HB TYR 7 11.742 1.580 -13.651 42 HD1 TYR 7 HD1 TYR 7 14.278 -0.798 -12.150 43 HD2 TYR 7 HD2 TYR 7 13.536 3.109 -13.832 44 HE1 TYR 7 HE1 TYR 7 16.445 -0.034 -11.330 45 HE2 TYR 7 HE2 TYR 7 15.713 3.890 -12.985 46 HH TYR 7 HH TYR 7 17.798 1.725 -10.963 47 HA PRO 8 HA PRO 8 11.044 1.475 -8.465 48 1HB PRO 8 1HB PRO 8 11.069 -0.438 -6.573 49 2HB PRO 8 2HB PRO 8 9.740 -0.371 -7.773 50 1HG PRO 8 1HG PRO 8 12.194 -2.156 -7.781 51 2HG PRO 8 2HG PRO 8 10.478 -2.601 -8.085 52 1HD PRO 8 1HD PRO 8 12.372 -1.992 -10.069 53 2HD PRO 8 2HD PRO 8 10.605 -1.887 -10.286 54 H GLY 9 H GLY 9 12.390 2.124 -6.679 55 1HA GLY 9 1HA GLY 9 15.257 1.809 -7.091 56 2HA GLY 9 2HA GLY 9 14.438 2.879 -5.965 57 HA PRO 11 HA PRO 11 14.000 9.150 -2.931 58 1HB PRO 11 1HB PRO 11 12.644 7.133 -4.099 59 2HB PRO 11 2HB PRO 11 14.423 7.138 -4.010 60 1HG PRO 11 1HG PRO 11 12.472 5.652 -2.250 61 2HG PRO 11 2HG PRO 11 14.010 5.070 -2.971 62 1HD PRO 11 1HD PRO 11 13.671 6.060 -0.392 63 2HD PRO 11 2HD PRO 11 15.246 5.962 -1.255 64 H VAL 12 H VAL 12 11.405 8.891 -3.863 65 HA VAL 12 HA VAL 12 9.705 9.464 -1.478 66 HB VAL 12 HB VAL 12 9.687 10.810 -4.206 67 1HG1 VAL 12 1HG1 VAL 12 7.977 12.337 -3.177 68 2HG1 VAL 12 2HG1 VAL 12 7.375 10.692 -3.389 69 3HG1 VAL 12 3HG1 VAL 12 7.886 11.241 -1.791 70 1HG2 VAL 12 1HG2 VAL 12 10.260 11.989 -1.443 71 2HG2 VAL 12 2HG2 VAL 12 11.495 11.605 -2.647 72 3HG2 VAL 12 3HG2 VAL 12 10.299 12.848 -2.996 73 H GLU 13 H GLU 13 10.081 7.663 -4.461 74 HA GLU 13 HA GLU 13 7.391 6.902 -4.879 75 1HB GLU 13 1HB GLU 13 8.301 5.217 -6.323 76 2HB GLU 13 2HB GLU 13 9.316 6.652 -6.467 77 1HG GLU 13 1HG GLU 13 10.951 5.643 -4.865 78 2HG GLU 13 2HG GLU 13 9.952 4.185 -4.784 79 H ASP 14 H ASP 14 9.700 5.765 -2.481 80 HA ASP 14 HA ASP 14 8.561 3.196 -1.899 81 1HB ASP 14 1HB ASP 14 9.937 3.291 0.098 82 2HB ASP 14 2HB ASP 14 10.884 3.848 -1.276 83 H LEU 15 H LEU 15 8.311 6.422 -0.505 84 HA LEU 15 HA LEU 15 6.418 5.822 1.486 85 1HB LEU 15 1HB LEU 15 7.835 8.098 0.538 86 2HB LEU 15 2HB LEU 15 6.148 8.557 0.412 87 HG LEU 15 HG LEU 15 7.110 9.234 2.535 88 1HD1 LEU 15 1HD1 LEU 15 5.469 8.266 4.081 89 2HD1 LEU 15 2HD1 LEU 15 5.085 6.987 2.902 90 3HD1 LEU 15 3HD1 LEU 15 4.735 8.681 2.522 91 1HD2 LEU 15 1HD2 LEU 15 7.884 7.636 4.234 92 2HD2 LEU 15 2HD2 LEU 15 8.854 7.540 2.766 93 3HD2 LEU 15 3HD2 LEU 15 7.685 6.281 3.094 94 H ILE 16 H ILE 16 5.947 7.004 -1.839 95 HA ILE 16 HA ILE 16 3.099 7.100 -1.640 96 HB ILE 16 HB ILE 16 4.832 6.673 -4.110 97 1HG1 ILE 16 1HG1 ILE 16 5.329 8.810 -2.995 98 2HG1 ILE 16 2HG1 ILE 16 4.536 9.056 -4.539 99 1HG2 ILE 16 1HG2 ILE 16 2.801 7.578 -5.339 100 2HG2 ILE 16 2HG2 ILE 16 2.613 5.949 -4.678 101 3HG2 ILE 16 3HG2 ILE 16 1.864 7.323 -3.854 102 1HD1 ILE 16 1HD1 ILE 16 3.168 9.253 -1.814 103 2HD1 ILE 16 2HD1 ILE 16 3.717 10.607 -2.798 104 3HD1 ILE 16 3HD1 ILE 16 2.406 9.579 -3.394 105 H ARG 17 H ARG 17 5.292 4.330 -2.565 106 HA ARG 17 HA ARG 17 3.018 2.678 -3.089 107 1HB ARG 17 1HB ARG 17 5.414 2.162 -3.828 108 2HB ARG 17 2HB ARG 17 5.759 1.675 -2.163 109 1HG ARG 17 1HG ARG 17 3.845 -0.001 -2.363 110 2HG ARG 17 2HG ARG 17 3.695 0.453 -4.056 111 1HD ARG 17 1HD ARG 17 6.102 -0.837 -2.695 112 2HD ARG 17 2HD ARG 17 4.952 -1.652 -3.755 113 HE ARG 17 HE ARG 17 7.285 -0.245 -4.502 114 1HH1 ARG 17 1HH1 ARG 17 4.014 -0.971 -5.733 115 2HH1 ARG 17 2HH1 ARG 17 4.469 -0.627 -7.380 116 1HH2 ARG 17 1HH2 ARG 17 7.703 0.495 -6.605 117 2HH2 ARG 17 2HH2 ARG 17 6.572 0.208 -7.881 118 H PHE 18 H PHE 18 4.969 3.005 -0.107 119 HA PHE 18 HA PHE 18 3.606 1.052 1.383 120 1HB PHE 18 1HB PHE 18 5.707 2.288 1.993 121 2HB PHE 18 2HB PHE 18 4.740 3.705 2.366 122 HD1 PHE 18 HD1 PHE 18 3.173 3.668 4.346 123 HD2 PHE 18 HD2 PHE 18 5.839 0.389 3.495 124 HE1 PHE 18 HE1 PHE 18 2.909 2.850 6.669 125 HE2 PHE 18 HE2 PHE 18 5.558 -0.438 5.807 126 HZ PHE 18 HZ PHE 18 4.100 0.792 7.407 127 H TYR 19 H TYR 19 2.709 4.399 0.649 128 HA TYR 19 HA TYR 19 0.456 4.455 2.502 129 1HB TYR 19 1HB TYR 19 1.933 6.399 1.488 130 2HB TYR 19 2HB TYR 19 0.780 6.369 0.178 131 HD1 TYR 19 HD1 TYR 19 -1.813 6.477 0.974 132 HD2 TYR 19 HD2 TYR 19 1.574 7.777 3.317 133 HE1 TYR 19 HE1 TYR 19 -3.294 7.957 2.284 134 HE2 TYR 19 HE2 TYR 19 0.100 9.294 4.600 135 HH TYR 19 HH TYR 19 -3.292 9.796 3.685 136 H ASN 20 H ASN 20 0.866 4.182 -1.026 137 HA ASN 20 HA ASN 20 -1.852 4.025 -1.797 138 1HB ASN 20 1HB ASN 20 -0.093 4.296 -3.451 139 2HB ASN 20 2HB ASN 20 0.640 2.745 -3.007 140 1HD2 ASN 20 2HD2 ASN 20 0.104 1.054 -4.442 141 2HD2 ASN 20 1HD2 ASN 20 -1.411 0.989 -5.310 142 H ASP 21 H ASP 21 0.407 1.483 -0.724 143 HA ASP 21 HA ASP 21 -1.223 -0.768 -1.148 144 1HB ASP 21 1HB ASP 21 1.199 -0.743 -0.610 145 2HB ASP 21 2HB ASP 21 0.827 -0.226 1.036 146 H LEU 22 H LEU 22 -1.150 1.510 1.596 147 HA LEU 22 HA LEU 22 -2.901 -0.062 3.310 148 1HB LEU 22 1HB LEU 22 -2.034 2.860 3.318 149 2HB LEU 22 2HB LEU 22 -3.156 2.211 4.499 150 HG LEU 22 HG LEU 22 -0.454 0.892 4.065 151 1HD1 LEU 22 1HD1 LEU 22 0.036 3.238 4.553 152 2HD1 LEU 22 2HD1 LEU 22 0.454 2.213 5.928 153 3HD1 LEU 22 3HD1 LEU 22 -1.036 3.187 5.975 154 1HD2 LEU 22 1HD2 LEU 22 -2.187 -0.321 5.394 155 2HD2 LEU 22 2HD2 LEU 22 -2.288 1.068 6.495 156 3HD2 LEU 22 3HD2 LEU 22 -0.782 0.133 6.355 157 H GLN 23 H GLN 23 -3.274 2.673 1.047 158 HA GLN 23 HA GLN 23 -6.131 2.821 1.368 159 1HB GLN 23 1HB GLN 23 -4.381 3.777 -0.925 160 2HB GLN 23 2HB GLN 23 -6.089 4.193 -0.674 161 1HG GLN 23 1HG GLN 23 -5.464 5.137 1.583 162 2HG GLN 23 2HG GLN 23 -3.767 4.929 1.155 163 1HE2 GLN 23 2HE2 GLN 23 -3.614 5.816 -1.516 164 2HE2 GLN 23 1HE2 GLN 23 -4.129 7.479 -1.556 165 H GLN 24 H GLN 24 -4.063 0.718 -0.552 166 HA GLN 24 HA GLN 24 -6.002 -0.184 -2.416 167 1HB GLN 24 1HB GLN 24 -3.549 -0.595 -2.663 168 2HB GLN 24 2HB GLN 24 -3.658 -1.769 -1.342 169 1HG GLN 24 1HG GLN 24 -5.370 -3.048 -2.665 170 2HG GLN 24 2HG GLN 24 -5.148 -1.907 -3.988 171 1HE2 GLN 24 2HE2 GLN 24 -3.783 -4.589 -2.211 172 2HE2 GLN 24 1HE2 GLN 24 -2.889 -5.151 -3.603 173 H TYR 25 H TYR 25 -5.019 -1.329 0.777 174 HA TYR 25 HA TYR 25 -6.838 -3.569 1.005 175 1HB TYR 25 1HB TYR 25 -5.076 -3.424 2.572 176 2HB TYR 25 2HB TYR 25 -5.428 -1.765 2.984 177 HD1 TYR 25 HD1 TYR 25 -7.123 -1.144 4.590 178 HD2 TYR 25 HD2 TYR 25 -6.378 -5.282 3.598 179 HE1 TYR 25 HE1 TYR 25 -8.335 -1.848 6.627 180 HE2 TYR 25 HE2 TYR 25 -7.592 -5.994 5.627 181 HH TYR 25 HH TYR 25 -9.124 -5.226 7.386 182 H LEU 26 H LEU 26 -7.222 -0.122 1.923 183 HA LEU 26 HA LEU 26 -9.965 -0.423 2.545 184 1HB LEU 26 1HB LEU 26 -8.497 2.100 1.655 185 2HB LEU 26 2HB LEU 26 -10.068 2.084 2.446 186 HG LEU 26 HG LEU 26 -7.531 1.004 3.719 187 1HD1 LEU 26 1HD1 LEU 26 -8.855 3.738 4.016 188 2HD1 LEU 26 2HD1 LEU 26 -7.265 3.393 3.317 189 3HD1 LEU 26 3HD1 LEU 26 -7.513 3.116 5.038 190 1HD2 LEU 26 1HD2 LEU 26 -8.806 1.194 5.841 191 2HD2 LEU 26 2HD2 LEU 26 -9.553 0.052 4.725 192 3HD2 LEU 26 3HD2 LEU 26 -10.254 1.671 4.922 193 H ASN 27 H ASN 27 -8.644 -0.642 -0.501 194 HA ASN 27 HA ASN 27 -11.175 0.041 -1.830 195 1HB ASN 27 1HB ASN 27 -8.206 0.377 -2.452 196 2HB ASN 27 2HB ASN 27 -9.215 -0.035 -3.760 197 1HD2 ASN 27 2HD2 ASN 27 -8.396 2.438 -1.514 198 2HD2 ASN 27 1HD2 ASN 27 -9.458 3.702 -2.166 199 H VAL 28 H VAL 28 -9.576 -2.571 -0.820 200 HA VAL 28 HA VAL 28 -10.768 -4.244 -2.995 201 HB VAL 28 HB VAL 28 -8.230 -4.646 -1.382 202 1HG1 VAL 28 1HG1 VAL 28 -7.866 -6.741 -2.539 203 2HG1 VAL 28 2HG1 VAL 28 -9.449 -6.847 -1.763 204 3HG1 VAL 28 3HG1 VAL 28 -9.336 -6.541 -3.503 205 1HG2 VAL 28 1HG2 VAL 28 -7.126 -4.659 -3.601 206 2HG2 VAL 28 2HG2 VAL 28 -8.689 -4.366 -4.385 207 3HG2 VAL 28 3HG2 VAL 28 -7.969 -3.129 -3.343 208 H VAL 29 H VAL 29 -10.474 -3.449 0.456 209 HA VAL 29 HA VAL 29 -12.063 -5.778 1.250 210 HB VAL 29 HB VAL 29 -10.932 -3.367 2.691 211 1HG1 VAL 29 1HG1 VAL 29 -12.585 -5.573 4.015 212 2HG1 VAL 29 2HG1 VAL 29 -11.722 -4.266 4.837 213 3HG1 VAL 29 3HG1 VAL 29 -13.116 -3.883 3.829 214 1HG2 VAL 29 1HG2 VAL 29 -10.411 -6.341 2.963 215 2HG2 VAL 29 2HG2 VAL 29 -9.350 -5.125 2.218 216 3HG2 VAL 29 3HG2 VAL 29 -9.681 -5.063 3.942 217 H THR 30 H THR 30 -12.565 -2.297 0.772 218 HA THR 30 HA THR 30 -15.273 -2.239 1.558 219 HB THR 30 HB THR 30 -13.450 -0.486 1.141 220 HG1 THR 30 HG1 THR 30 -15.010 0.242 2.160 221 1HG2 THR 30 1HG2 THR 30 -13.369 -0.731 -1.361 222 2HG2 THR 30 2HG2 THR 30 -13.696 0.907 -0.809 223 3HG2 THR 30 3HG2 THR 30 -15.026 -0.068 -1.428 224 H ARG 31 H ARG 31 -13.823 -3.268 -1.429 225 HA ARG 31 HA ARG 31 -16.127 -2.962 -3.149 226 1HB ARG 31 1HB ARG 31 -13.947 -5.097 -3.141 227 2HB ARG 31 2HB ARG 31 -15.062 -4.853 -4.487 228 1HG ARG 31 1HG ARG 31 -13.348 -2.558 -3.468 229 2HG ARG 31 2HG ARG 31 -12.667 -3.754 -4.547 230 1HD ARG 31 1HD ARG 31 -15.292 -2.640 -5.418 231 2HD ARG 31 2HD ARG 31 -13.988 -1.472 -5.306 232 HE ARG 31 HE ARG 31 -14.192 -3.744 -7.157 233 1HH1 ARG 31 1HH1 ARG 31 -12.143 -1.100 -5.948 234 2HH1 ARG 31 2HH1 ARG 31 -11.083 -1.138 -7.303 235 1HH2 ARG 31 1HH2 ARG 31 -12.779 -3.887 -8.841 236 2HH2 ARG 31 2HH2 ARG 31 -11.335 -2.922 -8.936 237 H HIS 32 H HIS 32 -15.410 -5.159 -0.643 238 HA HIS 32 HA HIS 32 -17.761 -6.903 -1.187 239 1HB HIS 32 1HB HIS 32 -15.107 -7.219 0.161 240 2HB HIS 32 2HB HIS 32 -16.472 -7.985 0.973 241 HD1 HIS 32 HD1 HIS 32 -17.937 -9.687 -0.555 242 HD2 HIS 32 HD2 HIS 32 -14.185 -8.474 -2.031 243 HE1 HIS 32 HE1 HIS 32 -17.313 -11.336 -2.461 244 H ARG 33 H ARG 33 -16.187 -5.096 1.501 245 HA ARG 33 HA ARG 33 -18.448 -5.201 3.177 246 1HB ARG 33 1HB ARG 33 -15.999 -4.691 3.781 247 2HB ARG 33 2HB ARG 33 -16.338 -3.024 3.371 248 1HG ARG 33 1HG ARG 33 -17.663 -4.714 5.519 249 2HG ARG 33 2HG ARG 33 -16.525 -3.390 5.752 250 1HD ARG 33 1HD ARG 33 -18.323 -1.898 4.589 251 2HD ARG 33 2HD ARG 33 -19.443 -3.235 4.909 252 HE ARG 33 HE ARG 33 -18.435 -1.295 6.770 253 1HH1 ARG 33 1HH1 ARG 33 -19.860 -4.561 6.590 254 2HH1 ARG 33 2HH1 ARG 33 -19.800 -4.813 8.294 255 1HH2 ARG 33 1HH2 ARG 33 -18.534 -1.570 9.002 256 2HH2 ARG 33 2HH2 ARG 33 -18.888 -3.136 9.699 257 H TYR 34 H TYR 34 -17.311 -2.105 1.494 258 HA TYR 34 HA TYR 34 -19.907 -0.940 2.101 259 1HB TYR 34 1HB TYR 34 -17.714 0.274 1.927 260 2HB TYR 34 2HB TYR 34 -17.754 0.007 0.179 261 HD1 TYR 34 HD1 TYR 34 -19.350 1.281 -1.215 262 HD2 TYR 34 HD2 TYR 34 -19.230 1.769 3.058 263 HE1 TYR 34 HE1 TYR 34 -20.772 3.293 -1.404 264 HE2 TYR 34 HE2 TYR 34 -20.602 3.820 2.881 265 HH TYR 34 HH TYR 34 -21.995 5.046 1.428 266 1HN NH2 35 1H NH2 35 -21.268 -0.037 0.056 267 2HN NH2 35 2H NH2 35 -21.407 -1.247 -1.216 268 2HN ZAB 10 H AZO 10 14.412 2.283 -3.827 269 2HA ZAB 10 2HA AZO 10 14.635 -0.543 -2.959 270 3HA ZAB 10 3HA AZO 10 16.014 0.500 -2.553 271 HG2 ZAB 10 HG2 AZO 10 12.262 0.303 -2.301 272 HD2 ZAB 10 HD2 AZO 10 10.978 1.215 -0.398 273 HE ZAB 10 HE AZO 10 12.140 2.489 1.388 274 HG1 ZAB 10 HG1 AZO 10 15.919 1.803 -0.557 275 HJ2 ZAB 10 HJ2 AZO 10 13.031 4.797 4.229 276 HK2 ZAB 10 HK2 AZO 10 12.915 7.255 4.522 277 HL ZAB 10 HL AZO 10 14.097 8.762 2.959 278 HJ1 ZAB 10 HJ1 AZO 10 15.677 5.337 0.882 279 2HM ZAB 10 2HM AZO 10 16.052 8.908 1.357 280 3HM ZAB 10 3HM AZO 10 16.498 7.532 0.370 Start of MODEL 15 1 1H GLY 1 H GLY 1 2.228 -13.637 16.550 2 1HA GLY 1 1HA GLY 1 1.669 -12.312 14.544 3 2HA GLY 1 2HA GLY 1 2.862 -11.512 15.602 4 HA PRO 2 HA PRO 2 4.547 -12.380 11.247 5 1HB PRO 2 1HB PRO 2 4.215 -9.902 10.038 6 2HB PRO 2 2HB PRO 2 3.083 -11.275 9.906 7 1HG PRO 2 1HG PRO 2 2.911 -8.847 11.679 8 2HG PRO 2 2HG PRO 2 1.593 -9.718 10.840 9 1HD PRO 2 1HD PRO 2 2.166 -10.017 13.514 10 2HD PRO 2 2HD PRO 2 1.392 -11.283 12.510 11 H SER 3 H SER 3 6.487 -11.439 10.310 12 HA SER 3 HA SER 3 7.914 -9.383 11.795 13 1HB SER 3 1HB SER 3 9.320 -12.011 11.271 14 2HB SER 3 2HB SER 3 9.747 -10.728 12.417 15 HG SER 3 HG SER 3 8.129 -12.924 12.647 16 H GLN 4 H GLN 4 8.950 -8.088 10.226 17 HA GLN 4 HA GLN 4 9.897 -9.378 7.773 18 1HB GLN 4 1HB GLN 4 8.699 -7.924 6.279 19 2HB GLN 4 2HB GLN 4 7.559 -8.766 7.287 20 1HG GLN 4 1HG GLN 4 7.221 -6.740 8.666 21 2HG GLN 4 2HG GLN 4 8.450 -5.901 7.697 22 1HE2 GLN 4 2HE2 GLN 4 5.036 -6.512 7.897 23 2HE2 GLN 4 1HE2 GLN 4 4.684 -5.983 6.265 24 HA PRO 5 HA PRO 5 13.173 -6.538 8.525 25 1HB PRO 5 1HB PRO 5 14.356 -6.121 6.134 26 2HB PRO 5 2HB PRO 5 14.216 -7.762 6.833 27 1HG PRO 5 1HG PRO 5 12.399 -6.455 4.778 28 2HG PRO 5 2HG PRO 5 13.172 -8.074 4.698 29 1HD PRO 5 1HD PRO 5 10.611 -7.613 5.561 30 2HD PRO 5 2HD PRO 5 11.604 -8.971 6.182 31 H THR 6 H THR 6 11.253 -4.974 9.152 32 HA THR 6 HA THR 6 10.505 -2.870 7.393 33 HB THR 6 HB THR 6 9.765 -1.758 9.520 34 HG1 THR 6 HG1 THR 6 11.538 -2.804 10.704 35 1HG2 THR 6 1HG2 THR 6 8.042 -3.355 10.117 36 2HG2 THR 6 2HG2 THR 6 8.997 -4.714 9.507 37 3HG2 THR 6 3HG2 THR 6 8.323 -3.506 8.382 38 H TYR 7 H TYR 7 11.855 -1.315 6.563 39 HA TYR 7 HA TYR 7 13.652 0.087 8.369 40 1HB TYR 7 1HB TYR 7 14.980 -1.918 7.657 41 2HB TYR 7 2HB TYR 7 14.883 -1.354 5.996 42 HD1 TYR 7 HD1 TYR 7 15.916 -0.223 9.459 43 HD2 TYR 7 HD2 TYR 7 16.504 0.217 5.208 44 HE1 TYR 7 HE1 TYR 7 17.866 1.240 9.882 45 HE2 TYR 7 HE2 TYR 7 18.446 1.659 5.630 46 HH TYR 7 HH TYR 7 18.976 3.243 8.272 47 HA PRO 8 HA PRO 8 11.754 2.604 4.971 48 1HB PRO 8 1HB PRO 8 10.752 4.651 6.489 49 2HB PRO 8 2HB PRO 8 9.901 3.087 6.291 50 1HG PRO 8 1HG PRO 8 11.690 3.964 8.581 51 2HG PRO 8 2HG PRO 8 10.065 3.209 8.677 52 1HD PRO 8 1HD PRO 8 12.382 1.770 8.926 53 2HD PRO 8 2HD PRO 8 10.924 1.079 8.150 54 H GLY 9 H GLY 9 12.442 4.872 4.294 55 1HA GLY 9 1HA GLY 9 14.798 5.966 5.736 56 2HA GLY 9 2HA GLY 9 14.989 5.402 4.072 57 HA PRO 11 HA PRO 11 13.345 6.682 -4.526 58 1HB PRO 11 1HB PRO 11 12.102 4.390 -3.684 59 2HB PRO 11 2HB PRO 11 13.859 4.492 -4.008 60 1HG PRO 11 1HG PRO 11 12.473 4.699 -1.322 61 2HG PRO 11 2HG PRO 11 13.904 3.720 -1.775 62 1HD PRO 11 1HD PRO 11 14.127 6.133 -0.572 63 2HD PRO 11 2HD PRO 11 15.305 5.603 -1.811 64 H VAL 12 H VAL 12 11.634 7.930 -5.172 65 HA VAL 12 HA VAL 12 9.575 8.727 -3.282 66 HB VAL 12 HB VAL 12 9.873 9.265 -6.264 67 1HG1 VAL 12 1HG1 VAL 12 8.149 10.641 -4.147 68 2HG1 VAL 12 2HG1 VAL 12 8.367 11.197 -5.823 69 3HG1 VAL 12 3HG1 VAL 12 7.559 9.669 -5.504 70 1HG2 VAL 12 1HG2 VAL 12 11.778 10.200 -4.974 71 2HG2 VAL 12 2HG2 VAL 12 10.717 11.490 -5.544 72 3HG2 VAL 12 3HG2 VAL 12 10.636 10.961 -3.855 73 H GLU 13 H GLU 13 9.725 6.451 -6.134 74 HA GLU 13 HA GLU 13 6.901 6.019 -6.095 75 1HB GLU 13 1HB GLU 13 8.283 5.477 -8.016 76 2HB GLU 13 2HB GLU 13 9.147 4.245 -7.131 77 1HG GLU 13 1HG GLU 13 6.125 4.193 -7.527 78 2HG GLU 13 2HG GLU 13 7.244 3.502 -8.691 79 H ASP 14 H ASP 14 9.567 4.621 -4.251 80 HA ASP 14 HA ASP 14 8.162 2.410 -3.067 81 1HB ASP 14 1HB ASP 14 10.583 2.588 -2.938 82 2HB ASP 14 2HB ASP 14 10.460 4.150 -2.118 83 H LEU 15 H LEU 15 8.357 5.819 -2.298 84 HA LEU 15 HA LEU 15 7.119 5.761 0.304 85 1HB LEU 15 1HB LEU 15 8.664 7.522 -0.779 86 2HB LEU 15 2HB LEU 15 7.248 8.116 -1.653 87 HG LEU 15 HG LEU 15 7.448 7.907 1.371 88 1HD1 LEU 15 1HD1 LEU 15 9.126 9.467 0.476 89 2HD1 LEU 15 2HD1 LEU 15 7.848 10.343 1.327 90 3HD1 LEU 15 3HD1 LEU 15 7.855 10.320 -0.449 91 1HD2 LEU 15 1HD2 LEU 15 5.572 9.648 1.229 92 2HD2 LEU 15 2HD2 LEU 15 5.122 8.001 0.782 93 3HD2 LEU 15 3HD2 LEU 15 5.408 9.215 -0.483 94 H ILE 16 H ILE 16 5.982 6.793 -2.931 95 HA ILE 16 HA ILE 16 3.267 7.127 -2.401 96 HB ILE 16 HB ILE 16 4.755 6.201 -4.890 97 1HG1 ILE 16 1HG1 ILE 16 3.354 8.848 -4.424 98 2HG1 ILE 16 2HG1 ILE 16 5.006 8.589 -3.844 99 1HG2 ILE 16 1HG2 ILE 16 2.394 5.393 -5.112 100 2HG2 ILE 16 2HG2 ILE 16 1.827 7.045 -4.801 101 3HG2 ILE 16 3HG2 ILE 16 2.774 6.674 -6.250 102 1HD1 ILE 16 1HD1 ILE 16 4.112 8.424 -6.750 103 2HD1 ILE 16 2HD1 ILE 16 5.032 9.725 -5.986 104 3HD1 ILE 16 3HD1 ILE 16 5.754 8.113 -6.135 105 H ARG 17 H ARG 17 4.941 4.141 -3.469 106 HA ARG 17 HA ARG 17 2.649 2.500 -3.532 107 1HB ARG 17 1HB ARG 17 4.934 2.027 -4.572 108 2HB ARG 17 2HB ARG 17 5.555 1.732 -2.939 109 1HG ARG 17 1HG ARG 17 3.686 -0.080 -2.798 110 2HG ARG 17 2HG ARG 17 3.595 0.067 -4.558 111 1HD ARG 17 1HD ARG 17 5.990 -0.685 -2.851 112 2HD ARG 17 2HD ARG 17 5.044 -1.771 -3.883 113 HE ARG 17 HE ARG 17 6.081 0.324 -5.529 114 1HH1 ARG 17 1HH1 ARG 17 7.271 -2.393 -3.560 115 2HH1 ARG 17 2HH1 ARG 17 8.619 -2.711 -4.611 116 1HH2 ARG 17 1HH2 ARG 17 8.048 0.160 -6.546 117 2HH2 ARG 17 2HH2 ARG 17 9.129 -1.197 -6.319 118 H PHE 18 H PHE 18 4.996 2.958 -0.852 119 HA PHE 18 HA PHE 18 3.774 1.133 0.926 120 1HB PHE 18 1HB PHE 18 5.999 2.060 1.173 121 2HB PHE 18 2HB PHE 18 5.367 3.692 1.361 122 HD1 PHE 18 HD1 PHE 18 4.528 4.488 3.486 123 HD2 PHE 18 HD2 PHE 18 5.685 0.356 2.998 124 HE1 PHE 18 HE1 PHE 18 4.534 4.183 5.953 125 HE2 PHE 18 HE2 PHE 18 5.711 0.085 5.456 126 HZ PHE 18 HZ PHE 18 5.129 1.981 6.938 127 H TYR 19 H TYR 19 2.916 4.490 0.072 128 HA TYR 19 HA TYR 19 1.064 4.718 2.321 129 1HB TYR 19 1HB TYR 19 2.271 6.602 0.915 130 2HB TYR 19 2HB TYR 19 0.876 6.470 -0.136 131 HD1 TYR 19 HD1 TYR 19 -1.188 7.567 0.497 132 HD2 TYR 19 HD2 TYR 19 1.893 6.896 3.427 133 HE1 TYR 19 HE1 TYR 19 -2.481 8.890 2.169 134 HE2 TYR 19 HE2 TYR 19 0.643 8.207 5.077 135 HH TYR 19 HH TYR 19 -1.197 9.500 5.461 136 H ASN 20 H ASN 20 0.853 4.095 -1.111 137 HA ASN 20 HA ASN 20 -1.988 3.904 -1.370 138 1HB ASN 20 1HB ASN 20 -0.391 4.161 -3.264 139 2HB ASN 20 2HB ASN 20 0.162 2.500 -3.013 140 1HD2 ASN 20 2HD2 ASN 20 -0.835 1.030 -4.420 141 2HD2 ASN 20 1HD2 ASN 20 -2.515 1.200 -4.906 142 H ASP 21 H ASP 21 0.380 1.679 -0.130 143 HA ASP 21 HA ASP 21 -0.839 -0.834 -0.434 144 1HB ASP 21 1HB ASP 21 1.469 -0.178 0.541 145 2HB ASP 21 2HB ASP 21 0.648 0.036 2.070 146 H LEU 22 H LEU 22 -1.102 1.423 2.344 147 HA LEU 22 HA LEU 22 -3.128 0.074 3.742 148 1HB LEU 22 1HB LEU 22 -2.209 2.982 3.680 149 2HB LEU 22 2HB LEU 22 -3.591 2.472 4.638 150 HG LEU 22 HG LEU 22 -2.146 0.765 5.774 151 1HD1 LEU 22 1HD1 LEU 22 -0.266 0.519 4.274 152 2HD1 LEU 22 2HD1 LEU 22 0.315 1.185 5.789 153 3HD1 LEU 22 3HD1 LEU 22 0.118 2.256 4.383 154 1HD2 LEU 22 1HD2 LEU 22 -2.731 2.928 6.808 155 2HD2 LEU 22 2HD2 LEU 22 -1.308 3.683 6.064 156 3HD2 LEU 22 3HD2 LEU 22 -1.117 2.404 7.290 157 H GLN 23 H GLN 23 -3.334 2.518 1.153 158 HA GLN 23 HA GLN 23 -6.191 2.860 1.322 159 1HB GLN 23 1HB GLN 23 -4.364 3.297 -1.084 160 2HB GLN 23 2HB GLN 23 -6.029 3.842 -0.921 161 1HG GLN 23 1HG GLN 23 -5.348 5.241 1.055 162 2HG GLN 23 2HG GLN 23 -3.673 4.733 0.781 163 1HE2 GLN 23 2HE2 GLN 23 -6.428 6.155 -1.078 164 2HE2 GLN 23 1HE2 GLN 23 -5.424 7.251 -2.023 165 H GLN 24 H GLN 24 -4.106 0.518 -0.389 166 HA GLN 24 HA GLN 24 -6.163 -0.501 -2.057 167 1HB GLN 24 1HB GLN 24 -3.655 -0.745 -2.341 168 2HB GLN 24 2HB GLN 24 -3.744 -2.057 -1.142 169 1HG GLN 24 1HG GLN 24 -5.248 -3.326 -2.546 170 2HG GLN 24 2HG GLN 24 -5.469 -1.964 -3.654 171 1HE2 GLN 24 2HE2 GLN 24 -3.443 -1.164 -4.817 172 2HE2 GLN 24 1HE2 GLN 24 -2.346 -2.441 -5.349 173 H TYR 25 H TYR 25 -4.991 -1.446 1.137 174 HA TYR 25 HA TYR 25 -6.867 -3.597 1.558 175 1HB TYR 25 1HB TYR 25 -4.810 -3.349 2.891 176 2HB TYR 25 2HB TYR 25 -5.389 -1.825 3.545 177 HD1 TYR 25 HD1 TYR 25 -6.159 -1.933 5.771 178 HD2 TYR 25 HD2 TYR 25 -6.701 -5.360 3.227 179 HE1 TYR 25 HE1 TYR 25 -7.185 -3.145 7.649 180 HE2 TYR 25 HE2 TYR 25 -7.709 -6.608 5.112 181 HH TYR 25 HH TYR 25 -8.095 -6.591 7.468 182 H LEU 26 H LEU 26 -7.479 -0.296 1.221 183 HA LEU 26 HA LEU 26 -10.059 -0.558 2.631 184 1HB LEU 26 1HB LEU 26 -8.359 1.919 2.003 185 2HB LEU 26 2HB LEU 26 -9.958 2.012 2.715 186 HG LEU 26 HG LEU 26 -7.684 0.474 4.007 187 1HD1 LEU 26 1HD1 LEU 26 -7.357 2.431 5.487 188 2HD1 LEU 26 2HD1 LEU 26 -8.544 3.357 4.551 189 3HD1 LEU 26 3HD1 LEU 26 -7.015 2.845 3.808 190 1HD2 LEU 26 1HD2 LEU 26 -9.130 0.779 6.046 191 2HD2 LEU 26 2HD2 LEU 26 -9.911 -0.155 4.782 192 3HD2 LEU 26 3HD2 LEU 26 -10.349 1.548 5.037 193 H ASN 27 H ASN 27 -8.799 -0.663 -0.394 194 HA ASN 27 HA ASN 27 -11.324 0.333 -1.553 195 1HB ASN 27 1HB ASN 27 -8.414 0.331 -2.354 196 2HB ASN 27 2HB ASN 27 -9.550 -0.011 -3.606 197 1HD2 ASN 27 2HD2 ASN 27 -7.817 2.433 -2.527 198 2HD2 ASN 27 1HD2 ASN 27 -8.953 3.774 -2.646 199 H VAL 28 H VAL 28 -9.215 -2.369 -1.201 200 HA VAL 28 HA VAL 28 -10.714 -3.947 -3.241 201 HB VAL 28 HB VAL 28 -8.343 -4.614 -1.446 202 1HG1 VAL 28 1HG1 VAL 28 -8.096 -6.655 -2.861 203 2HG1 VAL 28 2HG1 VAL 28 -9.565 -6.684 -1.883 204 3HG1 VAL 28 3HG1 VAL 28 -9.670 -6.296 -3.614 205 1HG2 VAL 28 1HG2 VAL 28 -8.543 -4.102 -4.450 206 2HG2 VAL 28 2HG2 VAL 28 -7.792 -3.022 -3.261 207 3HG2 VAL 28 3HG2 VAL 28 -7.077 -4.604 -3.583 208 H VAL 29 H VAL 29 -10.423 -3.382 0.258 209 HA VAL 29 HA VAL 29 -12.084 -5.678 0.837 210 HB VAL 29 HB VAL 29 -11.151 -3.444 2.649 211 1HG1 VAL 29 1HG1 VAL 29 -12.402 -6.164 3.302 212 2HG1 VAL 29 2HG1 VAL 29 -11.775 -4.994 4.494 213 3HG1 VAL 29 3HG1 VAL 29 -13.196 -4.603 3.526 214 1HG2 VAL 29 1HG2 VAL 29 -9.290 -4.832 1.765 215 2HG2 VAL 29 2HG2 VAL 29 -9.556 -5.147 3.477 216 3HG2 VAL 29 3HG2 VAL 29 -10.141 -6.301 2.264 217 H THR 30 H THR 30 -12.746 -2.187 0.479 218 HA THR 30 HA THR 30 -15.439 -2.402 1.238 219 HB THR 30 HB THR 30 -15.528 -0.240 -0.110 220 HG1 THR 30 HG1 THR 30 -13.461 0.541 -0.742 221 1HG2 THR 30 1HG2 THR 30 -13.386 -0.542 2.055 222 2HG2 THR 30 2HG2 THR 30 -15.111 -0.245 2.318 223 3HG2 THR 30 3HG2 THR 30 -14.111 0.989 1.544 224 H ARG 31 H ARG 31 -13.826 -2.794 -1.908 225 HA ARG 31 HA ARG 31 -16.280 -3.116 -3.339 226 1HB ARG 31 1HB ARG 31 -13.984 -2.626 -4.338 227 2HB ARG 31 2HB ARG 31 -13.627 -4.356 -4.182 228 1HG ARG 31 1HG ARG 31 -15.593 -4.871 -5.636 229 2HG ARG 31 2HG ARG 31 -15.975 -3.152 -5.738 230 1HD ARG 31 1HD ARG 31 -13.484 -4.547 -6.805 231 2HD ARG 31 2HD ARG 31 -14.863 -4.012 -7.765 232 HE ARG 31 HE ARG 31 -12.607 -2.473 -6.996 233 1HH1 ARG 31 1HH1 ARG 31 -16.110 -2.077 -7.661 234 2HH1 ARG 31 2HH1 ARG 31 -15.904 -0.397 -8.067 235 1HH2 ARG 31 1HH2 ARG 31 -12.429 -0.380 -7.553 236 2HH2 ARG 31 2HH2 ARG 31 -13.780 0.597 -8.062 237 H HIS 32 H HIS 32 -14.688 -5.275 -1.236 238 HA HIS 32 HA HIS 32 -16.360 -7.558 -2.200 239 1HB HIS 32 1HB HIS 32 -13.606 -7.375 -1.381 240 2HB HIS 32 2HB HIS 32 -14.443 -8.364 -0.197 241 HD1 HIS 32 HD1 HIS 32 -15.040 -10.845 -0.984 242 HD2 HIS 32 HD2 HIS 32 -13.938 -8.140 -4.048 243 HE1 HIS 32 HE1 HIS 32 -14.802 -12.214 -3.096 244 H ARG 33 H ARG 33 -16.046 -5.419 0.571 245 HA ARG 33 HA ARG 33 -18.061 -7.125 2.004 246 1HB ARG 33 1HB ARG 33 -15.991 -5.295 3.249 247 2HB ARG 33 2HB ARG 33 -17.016 -6.453 4.074 248 1HG ARG 33 1HG ARG 33 -14.725 -7.145 2.175 249 2HG ARG 33 2HG ARG 33 -14.677 -7.147 3.932 250 1HD ARG 33 1HD ARG 33 -16.280 -8.997 4.049 251 2HD ARG 33 2HD ARG 33 -16.537 -8.942 2.302 252 HE ARG 33 HE ARG 33 -14.670 -10.193 1.988 253 1HH1 ARG 33 1HH1 ARG 33 -14.461 -8.938 5.334 254 2HH1 ARG 33 2HH1 ARG 33 -12.856 -9.546 5.569 255 1HH2 ARG 33 1HH2 ARG 33 -12.642 -11.073 2.375 256 2HH2 ARG 33 2HH2 ARG 33 -11.863 -10.924 3.938 257 H TYR 34 H TYR 34 -17.504 -3.789 0.808 258 HA TYR 34 HA TYR 34 -19.445 -2.757 2.740 259 1HB TYR 34 1HB TYR 34 -17.553 -1.360 2.057 260 2HB TYR 34 2HB TYR 34 -18.102 -1.402 0.386 261 HD1 TYR 34 HD1 TYR 34 -19.018 0.645 -0.302 262 HD2 TYR 34 HD2 TYR 34 -19.821 -0.792 3.695 263 HE1 TYR 34 HE1 TYR 34 -20.649 2.465 0.034 264 HE2 TYR 34 HE2 TYR 34 -21.501 0.980 3.996 265 HH TYR 34 HH TYR 34 -22.600 2.746 3.031 266 1HN NH2 35 1H NH2 35 -19.814 -4.558 -0.230 267 2HN NH2 35 2H NH2 35 -21.392 -3.908 -0.576 268 2HN ZAB 10 H AZO 10 13.318 7.658 6.194 269 2HA ZAB 10 2HA AZO 10 11.962 9.246 4.228 270 3HA ZAB 10 3HA AZO 10 12.381 9.742 5.885 271 HG2 ZAB 10 HG2 AZO 10 15.401 9.571 5.784 272 HD2 ZAB 10 HD2 AZO 10 17.147 11.021 4.806 273 HE ZAB 10 HE AZO 10 16.616 12.516 2.905 274 HG1 ZAB 10 HG1 AZO 10 12.535 11.119 2.937 275 HJ2 ZAB 10 HJ2 AZO 10 16.352 13.815 -1.074 276 HK2 ZAB 10 HK2 AZO 10 17.410 12.412 -2.815 277 HL ZAB 10 HL AZO 10 16.912 9.988 -2.938 278 HJ1 ZAB 10 HJ1 AZO 10 14.317 10.361 0.498 279 2HM ZAB 10 2HM AZO 10 16.156 7.992 -1.516 280 3HM ZAB 10 3HM AZO 10 14.867 8.228 -0.325 Start of MODEL 16 1 1H GLY 1 H GLY 1 19.197 -9.755 15.771 2 1HA GLY 1 1HA GLY 1 16.433 -10.233 16.719 3 2HA GLY 1 2HA GLY 1 17.080 -8.662 16.225 4 HA PRO 2 HA PRO 2 15.120 -11.129 12.629 5 1HB PRO 2 1HB PRO 2 12.712 -9.826 12.378 6 2HB PRO 2 2HB PRO 2 12.968 -11.237 13.445 7 1HG PRO 2 1HG PRO 2 13.040 -8.301 14.192 8 2HG PRO 2 2HG PRO 2 12.149 -9.623 15.012 9 1HD PRO 2 1HD PRO 2 14.564 -8.726 15.865 10 2HD PRO 2 2HD PRO 2 14.150 -10.471 15.957 11 H SER 3 H SER 3 14.562 -10.203 10.478 12 HA SER 3 HA SER 3 16.415 -8.241 9.685 13 1HB SER 3 1HB SER 3 15.510 -10.104 8.279 14 2HB SER 3 2HB SER 3 13.970 -9.256 8.170 15 HG SER 3 HG SER 3 16.503 -8.288 7.295 16 H GLN 4 H GLN 4 12.828 -8.036 9.654 17 HA GLN 4 HA GLN 4 11.397 -6.316 9.445 18 1HB GLN 4 1HB GLN 4 13.039 -5.341 11.805 19 2HB GLN 4 2HB GLN 4 11.433 -4.741 11.340 20 1HG GLN 4 1HG GLN 4 10.566 -7.104 11.489 21 2HG GLN 4 2HG GLN 4 12.125 -7.590 12.156 22 1HE2 GLN 4 2HE2 GLN 4 12.792 -5.690 14.055 23 2HE2 GLN 4 1HE2 GLN 4 11.489 -5.525 15.203 24 HA PRO 5 HA PRO 5 14.320 -3.578 7.046 25 1HB PRO 5 1HB PRO 5 13.401 -4.086 4.537 26 2HB PRO 5 2HB PRO 5 14.565 -5.143 5.366 27 1HG PRO 5 1HG PRO 5 11.581 -5.512 5.086 28 2HG PRO 5 2HG PRO 5 12.892 -6.719 4.876 29 1HD PRO 5 1HD PRO 5 11.412 -6.419 7.186 30 2HD PRO 5 2HD PRO 5 13.093 -7.045 7.140 31 H THR 6 H THR 6 13.734 -1.472 7.032 32 HA THR 6 HA THR 6 11.111 -0.621 6.145 33 HB THR 6 HB THR 6 10.609 -1.165 8.394 34 HG1 THR 6 HG1 THR 6 10.958 1.500 8.907 35 1HG2 THR 6 1HG2 THR 6 12.732 -1.292 9.529 36 2HG2 THR 6 2HG2 THR 6 11.769 -0.083 10.364 37 3HG2 THR 6 3HG2 THR 6 13.073 0.421 9.263 38 H TYR 7 H TYR 7 11.164 1.970 6.528 39 HA TYR 7 HA TYR 7 13.851 2.980 5.737 40 1HB TYR 7 1HB TYR 7 11.217 3.489 4.327 41 2HB TYR 7 2HB TYR 7 12.678 4.431 4.077 42 HD1 TYR 7 HD1 TYR 7 11.112 1.111 3.540 43 HD2 TYR 7 HD2 TYR 7 14.581 3.578 2.844 44 HE1 TYR 7 HE1 TYR 7 11.894 -0.486 1.820 45 HE2 TYR 7 HE2 TYR 7 15.364 1.991 1.124 46 HH TYR 7 HH TYR 7 14.669 0.233 -0.247 47 HA PRO 8 HA PRO 8 11.926 5.594 9.082 48 1HB PRO 8 1HB PRO 8 13.954 5.589 10.908 49 2HB PRO 8 2HB PRO 8 12.821 4.217 10.730 50 1HG PRO 8 1HG PRO 8 15.559 4.512 9.447 51 2HG PRO 8 2HG PRO 8 14.948 3.147 10.456 52 1HD PRO 8 1HD PRO 8 14.840 3.036 7.748 53 2HD PRO 8 2HD PRO 8 13.483 2.430 8.740 54 H GLY 9 H GLY 9 13.668 6.171 6.549 55 1HA GLY 9 1HA GLY 9 14.339 8.917 7.194 56 2HA GLY 9 2HA GLY 9 15.734 7.932 6.695 57 HA PRO 11 HA PRO 11 11.789 10.609 -3.889 58 1HB PRO 11 1HB PRO 11 11.779 7.884 -3.508 59 2HB PRO 11 2HB PRO 11 13.268 8.863 -3.617 60 1HG PRO 11 1HG PRO 11 11.863 7.922 -1.096 61 2HG PRO 11 2HG PRO 11 13.600 7.827 -1.493 62 1HD PRO 11 1HD PRO 11 12.538 9.799 0.048 63 2HD PRO 11 2HD PRO 11 13.886 10.123 -1.066 64 H VAL 12 H VAL 12 9.687 11.502 -3.986 65 HA VAL 12 HA VAL 12 7.505 10.633 -2.480 66 HB VAL 12 HB VAL 12 7.248 11.807 -5.267 67 1HG1 VAL 12 1HG1 VAL 12 5.253 12.915 -4.284 68 2HG1 VAL 12 2HG1 VAL 12 5.121 11.161 -4.299 69 3HG1 VAL 12 3HG1 VAL 12 5.511 11.988 -2.779 70 1HG2 VAL 12 1HG2 VAL 12 7.815 13.267 -2.648 71 2HG2 VAL 12 2HG2 VAL 12 8.863 13.217 -4.076 72 3HG2 VAL 12 3HG2 VAL 12 7.308 14.047 -4.160 73 H GLU 13 H GLU 13 8.911 9.057 -5.313 74 HA GLU 13 HA GLU 13 6.641 7.446 -5.993 75 1HB GLU 13 1HB GLU 13 8.744 7.857 -7.363 76 2HB GLU 13 2HB GLU 13 9.590 6.726 -6.294 77 1HG GLU 13 1HG GLU 13 7.917 4.966 -6.910 78 2HG GLU 13 2HG GLU 13 7.117 6.118 -7.982 79 H ASP 14 H ASP 14 9.231 7.107 -3.564 80 HA ASP 14 HA ASP 14 8.535 4.406 -2.750 81 1HB ASP 14 1HB ASP 14 10.841 5.302 -2.603 82 2HB ASP 14 2HB ASP 14 10.264 6.570 -1.515 83 H LEU 15 H LEU 15 7.592 7.670 -1.923 84 HA LEU 15 HA LEU 15 6.436 7.027 0.612 85 1HB LEU 15 1HB LEU 15 7.406 9.289 -0.304 86 2HB LEU 15 2HB LEU 15 5.854 9.448 -1.140 87 HG LEU 15 HG LEU 15 4.792 8.958 1.138 88 1HD1 LEU 15 1HD1 LEU 15 6.827 8.184 2.353 89 2HD1 LEU 15 2HD1 LEU 15 6.160 9.628 3.107 90 3HD1 LEU 15 3HD1 LEU 15 7.594 9.754 2.077 91 1HD2 LEU 15 1HD2 LEU 15 4.749 11.197 0.077 92 2HD2 LEU 15 2HD2 LEU 15 6.311 11.565 0.844 93 3HD2 LEU 15 3HD2 LEU 15 4.875 11.302 1.842 94 H ILE 16 H ILE 16 5.168 7.608 -2.704 95 HA ILE 16 HA ILE 16 2.412 7.243 -1.958 96 HB ILE 16 HB ILE 16 3.817 7.117 -4.649 97 1HG1 ILE 16 1HG1 ILE 16 3.830 9.347 -3.729 98 2HG1 ILE 16 2HG1 ILE 16 2.666 9.285 -5.038 99 1HG2 ILE 16 1HG2 ILE 16 0.815 6.997 -4.127 100 2HG2 ILE 16 2HG2 ILE 16 1.567 7.315 -5.707 101 3HG2 ILE 16 3HG2 ILE 16 1.820 5.765 -4.917 102 1HD1 ILE 16 1HD1 ILE 16 2.022 9.335 -2.066 103 2HD1 ILE 16 2HD1 ILE 16 1.860 10.646 -3.226 104 3HD1 ILE 16 3HD1 ILE 16 0.816 9.221 -3.376 105 H ARG 17 H ARG 17 4.901 4.888 -3.160 106 HA ARG 17 HA ARG 17 2.985 2.790 -3.357 107 1HB ARG 17 1HB ARG 17 5.192 2.542 -4.357 108 2HB ARG 17 2HB ARG 17 5.981 2.757 -2.799 109 1HG ARG 17 1HG ARG 17 4.843 0.581 -2.032 110 2HG ARG 17 2HG ARG 17 4.318 0.364 -3.712 111 1HD ARG 17 1HD ARG 17 7.189 0.584 -2.707 112 2HD ARG 17 2HD ARG 17 6.380 -0.904 -3.109 113 HE ARG 17 HE ARG 17 7.382 1.185 -4.939 114 1HH1 ARG 17 1HH1 ARG 17 5.577 -1.863 -4.612 115 2HH1 ARG 17 2HH1 ARG 17 5.849 -2.341 -6.257 116 1HH2 ARG 17 1HH2 ARG 17 7.718 0.549 -7.123 117 2HH2 ARG 17 2HH2 ARG 17 7.151 -0.996 -7.678 118 H PHE 18 H PHE 18 4.976 3.781 -0.578 119 HA PHE 18 HA PHE 18 4.050 1.819 1.236 120 1HB PHE 18 1HB PHE 18 5.996 3.306 1.545 121 2HB PHE 18 2HB PHE 18 4.943 4.706 1.676 122 HD1 PHE 18 HD1 PHE 18 3.802 5.233 3.771 123 HD2 PHE 18 HD2 PHE 18 6.039 1.573 3.331 124 HE1 PHE 18 HE1 PHE 18 3.766 4.906 6.222 125 HE2 PHE 18 HE2 PHE 18 6.029 1.278 5.788 126 HZ PHE 18 HZ PHE 18 4.905 2.949 7.242 127 H TYR 19 H TYR 19 2.608 4.879 0.172 128 HA TYR 19 HA TYR 19 0.572 4.987 2.223 129 1HB TYR 19 1HB TYR 19 1.540 6.861 0.722 130 2HB TYR 19 2HB TYR 19 0.480 6.289 -0.536 131 HD1 TYR 19 HD1 TYR 19 -1.872 6.812 -0.526 132 HD2 TYR 19 HD2 TYR 19 0.592 7.767 2.883 133 HE1 TYR 19 HE1 TYR 19 -3.702 8.206 0.412 134 HE2 TYR 19 HE2 TYR 19 -1.205 9.192 3.792 135 HH TYR 19 HH TYR 19 -3.320 10.180 3.351 136 H ASN 20 H ASN 20 0.691 3.980 -1.127 137 HA ASN 20 HA ASN 20 -2.010 3.324 -1.582 138 1HB ASN 20 1HB ASN 20 -0.297 3.586 -3.353 139 2HB ASN 20 2HB ASN 20 0.415 2.036 -2.883 140 1HD2 ASN 20 2HD2 ASN 20 -0.131 0.624 -4.606 141 2HD2 ASN 20 1HD2 ASN 20 -1.725 0.580 -5.316 142 H ASP 21 H ASP 21 0.529 1.317 -0.066 143 HA ASP 21 HA ASP 21 -0.774 -1.201 -0.355 144 1HB ASP 21 1HB ASP 21 1.556 -0.826 0.588 145 2HB ASP 21 2HB ASP 21 0.800 -0.365 2.116 146 H LEU 22 H LEU 22 -1.161 1.310 2.138 147 HA LEU 22 HA LEU 22 -3.245 -0.065 3.603 148 1HB LEU 22 1HB LEU 22 -2.426 2.862 3.532 149 2HB LEU 22 2HB LEU 22 -3.575 2.174 4.679 150 HG LEU 22 HG LEU 22 -0.685 1.213 4.433 151 1HD1 LEU 22 1HD1 LEU 22 -0.205 2.531 6.420 152 2HD1 LEU 22 2HD1 LEU 22 -1.861 3.194 6.411 153 3HD1 LEU 22 3HD1 LEU 22 -0.728 3.577 5.084 154 1HD2 LEU 22 1HD2 LEU 22 -2.784 0.812 6.620 155 2HD2 LEU 22 2HD2 LEU 22 -1.088 0.286 6.703 156 3HD2 LEU 22 3HD2 LEU 22 -2.166 -0.432 5.513 157 H GLN 23 H GLN 23 -3.219 2.334 0.944 158 HA GLN 23 HA GLN 23 -6.064 2.773 0.999 159 1HB GLN 23 1HB GLN 23 -4.143 3.057 -1.353 160 2HB GLN 23 2HB GLN 23 -5.813 3.600 -1.318 161 1HG GLN 23 1HG GLN 23 -5.191 5.038 0.711 162 2HG GLN 23 2HG GLN 23 -3.503 4.711 0.297 163 1HE2 GLN 23 2HE2 GLN 23 -5.991 6.944 -0.197 164 2HE2 GLN 23 1HE2 GLN 23 -5.541 7.555 -1.751 165 H GLN 24 H GLN 24 -4.050 0.277 -0.571 166 HA GLN 24 HA GLN 24 -6.028 -0.814 -2.281 167 1HB GLN 24 1HB GLN 24 -3.584 -1.256 -2.444 168 2HB GLN 24 2HB GLN 24 -3.694 -2.238 -0.977 169 1HG GLN 24 1HG GLN 24 -5.292 -3.762 -2.087 170 2HG GLN 24 2HG GLN 24 -5.257 -2.762 -3.544 171 1HE2 GLN 24 2HE2 GLN 24 -2.953 -2.508 -4.559 172 2HE2 GLN 24 1HE2 GLN 24 -2.074 -4.034 -4.610 173 H TYR 25 H TYR 25 -5.101 -1.490 1.047 174 HA TYR 25 HA TYR 25 -6.873 -3.613 1.618 175 1HB TYR 25 1HB TYR 25 -4.957 -1.994 2.981 176 2HB TYR 25 2HB TYR 25 -6.439 -1.748 3.858 177 HD1 TYR 25 HD1 TYR 25 -7.285 -3.462 5.330 178 HD2 TYR 25 HD2 TYR 25 -3.996 -4.283 2.664 179 HE1 TYR 25 HE1 TYR 25 -6.768 -5.527 6.601 180 HE2 TYR 25 HE2 TYR 25 -3.433 -6.297 3.952 181 HH TYR 25 HH TYR 25 -4.965 -6.965 7.069 182 H LEU 26 H LEU 26 -7.607 -0.321 1.062 183 HA LEU 26 HA LEU 26 -10.332 -0.577 2.221 184 1HB LEU 26 1HB LEU 26 -8.663 1.874 1.544 185 2HB LEU 26 2HB LEU 26 -10.313 1.936 2.148 186 HG LEU 26 HG LEU 26 -8.039 0.613 3.706 187 1HD1 LEU 26 1HD1 LEU 26 -7.919 2.672 5.042 188 2HD1 LEU 26 2HD1 LEU 26 -9.033 3.474 3.913 189 3HD1 LEU 26 3HD1 LEU 26 -7.430 2.912 3.359 190 1HD2 LEU 26 1HD2 LEU 26 -9.524 0.924 5.643 191 2HD2 LEU 26 2HD2 LEU 26 -10.294 -0.076 4.414 192 3HD2 LEU 26 3HD2 LEU 26 -10.774 1.629 4.600 193 H ASN 27 H ASN 27 -8.650 -0.813 -0.626 194 HA ASN 27 HA ASN 27 -10.979 -0.080 -2.270 195 1HB ASN 27 1HB ASN 27 -8.047 0.227 -2.604 196 2HB ASN 27 2HB ASN 27 -8.707 -0.680 -3.935 197 1HD2 ASN 27 2HD2 ASN 27 -7.532 1.962 -3.974 198 2HD2 ASN 27 1HD2 ASN 27 -8.743 2.779 -4.895 199 H VAL 28 H VAL 28 -9.546 -2.795 -1.046 200 HA VAL 28 HA VAL 28 -10.826 -4.459 -3.163 201 HB VAL 28 HB VAL 28 -8.352 -4.958 -1.434 202 1HG1 VAL 28 1HG1 VAL 28 -9.432 -7.115 -1.838 203 2HG1 VAL 28 2HG1 VAL 28 -9.596 -6.754 -3.572 204 3HG1 VAL 28 3HG1 VAL 28 -7.994 -6.997 -2.837 205 1HG2 VAL 28 1HG2 VAL 28 -7.136 -4.940 -3.612 206 2HG2 VAL 28 2HG2 VAL 28 -8.643 -4.498 -4.439 207 3HG2 VAL 28 3HG2 VAL 28 -7.882 -3.385 -3.282 208 H VAL 29 H VAL 29 -10.854 -3.572 0.117 209 HA VAL 29 HA VAL 29 -12.379 -6.030 0.846 210 HB VAL 29 HB VAL 29 -11.195 -3.812 2.527 211 1HG1 VAL 29 1HG1 VAL 29 -12.490 -6.440 3.378 212 2HG1 VAL 29 2HG1 VAL 29 -11.587 -5.342 4.422 213 3HG1 VAL 29 3HG1 VAL 29 -13.111 -4.802 3.707 214 1HG2 VAL 29 1HG2 VAL 29 -9.563 -5.546 3.217 215 2HG2 VAL 29 2HG2 VAL 29 -10.264 -6.675 2.039 216 3HG2 VAL 29 3HG2 VAL 29 -9.437 -5.199 1.499 217 H THR 30 H THR 30 -12.689 -2.529 1.379 218 HA THR 30 HA THR 30 -15.504 -2.727 1.878 219 HB THR 30 HB THR 30 -14.858 -0.058 1.140 220 HG1 THR 30 HG1 THR 30 -13.039 0.364 2.315 221 1HG2 THR 30 1HG2 THR 30 -16.435 -0.760 2.894 222 2HG2 THR 30 2HG2 THR 30 -15.251 0.400 3.510 223 3HG2 THR 30 3HG2 THR 30 -15.092 -1.338 3.888 224 H ARG 31 H ARG 31 -13.651 -2.455 -1.044 225 HA ARG 31 HA ARG 31 -15.774 -1.513 -2.735 226 1HB ARG 31 1HB ARG 31 -13.188 -1.531 -3.013 227 2HB ARG 31 2HB ARG 31 -13.373 -3.196 -3.567 228 1HG ARG 31 1HG ARG 31 -13.168 -1.711 -5.460 229 2HG ARG 31 2HG ARG 31 -14.795 -2.365 -5.466 230 1HD ARG 31 1HD ARG 31 -14.787 0.028 -5.991 231 2HD ARG 31 2HD ARG 31 -15.663 -0.257 -4.490 232 HE ARG 31 HE ARG 31 -12.871 0.327 -4.047 233 1HH1 ARG 31 1HH1 ARG 31 -15.844 1.922 -5.069 234 2HH1 ARG 31 2HH1 ARG 31 -15.423 3.495 -4.507 235 1HH2 ARG 31 1HH2 ARG 31 -12.220 2.374 -3.340 236 2HH2 ARG 31 2HH2 ARG 31 -13.312 3.738 -3.380 237 H HIS 32 H HIS 32 -15.900 -4.232 -1.008 238 HA HIS 32 HA HIS 32 -17.363 -5.777 -3.068 239 1HB HIS 32 1HB HIS 32 -14.973 -6.568 -2.404 240 2HB HIS 32 2HB HIS 32 -15.672 -6.999 -0.856 241 HD1 HIS 32 HD1 HIS 32 -18.417 -8.330 -2.129 242 HD2 HIS 32 HD2 HIS 32 -14.386 -8.935 -3.259 243 HE1 HIS 32 HE1 HIS 32 -18.320 -10.596 -3.313 244 H ARG 33 H ARG 33 -17.966 -3.759 -0.777 245 HA ARG 33 HA ARG 33 -20.234 -5.212 0.366 246 1HB ARG 33 1HB ARG 33 -18.423 -5.890 1.909 247 2HB ARG 33 2HB ARG 33 -17.943 -4.213 2.115 248 1HG ARG 33 1HG ARG 33 -19.107 -4.923 4.067 249 2HG ARG 33 2HG ARG 33 -20.087 -3.718 3.266 250 1HD ARG 33 1HD ARG 33 -21.559 -5.450 4.025 251 2HD ARG 33 2HD ARG 33 -21.480 -5.581 2.268 252 HE ARG 33 HE ARG 33 -20.617 -7.653 2.459 253 1HH1 ARG 33 1HH1 ARG 33 -20.146 -6.012 5.613 254 2HH1 ARG 33 2HH1 ARG 33 -19.629 -7.418 6.439 255 1HH2 ARG 33 1HH2 ARG 33 -19.813 -9.554 3.597 256 2HH2 ARG 33 2HH2 ARG 33 -19.296 -9.429 5.236 257 H TYR 34 H TYR 34 -18.358 -2.143 0.189 258 HA TYR 34 HA TYR 34 -20.756 -0.660 1.062 259 1HB TYR 34 1HB TYR 34 -18.692 -0.462 2.383 260 2HB TYR 34 2HB TYR 34 -17.808 0.049 0.939 261 HD1 TYR 34 HD1 TYR 34 -17.004 2.120 1.772 262 HD2 TYR 34 HD2 TYR 34 -21.253 1.271 1.895 263 HE1 TYR 34 HE1 TYR 34 -17.462 4.484 2.292 264 HE2 TYR 34 HE2 TYR 34 -21.705 3.616 2.406 265 HH TYR 34 HH TYR 34 -20.693 5.762 2.227 266 1HN NH2 35 1H NH2 35 -20.790 -1.786 -1.576 267 2HN NH2 35 2H NH2 35 -20.684 -0.451 -2.697 268 2HN ZAB 10 H AZO 10 15.328 6.562 4.649 269 2HA ZAB 10 2HA AZO 10 14.301 6.228 2.560 270 3HA ZAB 10 3HA AZO 10 13.423 7.764 2.705 271 HG2 ZAB 10 HG2 AZO 10 16.057 6.199 1.054 272 HD2 ZAB 10 HD2 AZO 10 17.947 7.331 -0.121 273 HE ZAB 10 HE AZO 10 18.382 9.749 0.264 274 HG1 ZAB 10 HG1 AZO 10 15.122 9.881 3.078 275 HJ2 ZAB 10 HJ2 AZO 10 17.453 13.828 -0.698 276 HK2 ZAB 10 HK2 AZO 10 15.763 14.819 -2.226 277 HL ZAB 10 HL AZO 10 13.377 14.222 -1.997 278 HJ1 ZAB 10 HJ1 AZO 10 14.324 11.686 1.358 279 2HM ZAB 10 2HM AZO 10 12.064 11.853 0.629 280 3HM ZAB 10 3HM AZO 10 11.658 13.472 0.036 Start of MODEL 17 1 1H GLY 1 H GLY 1 -2.668 -14.952 1.981 2 1HA GLY 1 1HA GLY 1 -1.104 -15.249 3.958 3 2HA GLY 1 2HA GLY 1 -0.038 -14.145 3.063 4 HA PRO 2 HA PRO 2 -4.102 -11.744 4.144 5 1HB PRO 2 1HB PRO 2 -5.610 -12.656 6.260 6 2HB PRO 2 2HB PRO 2 -5.833 -13.163 4.564 7 1HG PRO 2 1HG PRO 2 -4.245 -14.606 6.701 8 2HG PRO 2 2HG PRO 2 -5.508 -15.276 5.624 9 1HD PRO 2 1HD PRO 2 -2.904 -15.534 4.994 10 2HD PRO 2 2HD PRO 2 -4.090 -15.118 3.726 11 H SER 3 H SER 3 -1.737 -12.910 6.450 12 HA SER 3 HA SER 3 -2.191 -11.234 8.599 13 1HB SER 3 1HB SER 3 0.354 -11.278 8.859 14 2HB SER 3 2HB SER 3 -0.509 -12.820 8.863 15 HG SER 3 HG SER 3 1.525 -12.346 7.489 16 H GLN 4 H GLN 4 -0.896 -10.284 5.497 17 HA GLN 4 HA GLN 4 0.292 -8.376 4.854 18 1HB GLN 4 1HB GLN 4 -2.641 -7.828 5.248 19 2HB GLN 4 2HB GLN 4 -1.571 -6.618 4.498 20 1HG GLN 4 1HG GLN 4 -0.876 -8.137 2.766 21 2HG GLN 4 2HG GLN 4 -1.596 -9.520 3.581 22 1HE2 GLN 4 2HE2 GLN 4 -2.860 -10.128 1.697 23 2HE2 GLN 4 1HE2 GLN 4 -4.254 -9.190 1.275 24 HA PRO 5 HA PRO 5 1.145 -6.667 9.025 25 1HB PRO 5 1HB PRO 5 3.837 -7.077 9.107 26 2HB PRO 5 2HB PRO 5 2.628 -8.351 9.484 27 1HG PRO 5 1HG PRO 5 4.080 -7.898 6.867 28 2HG PRO 5 2HG PRO 5 3.874 -9.426 7.766 29 1HD PRO 5 1HD PRO 5 2.241 -8.728 5.704 30 2HD PRO 5 2HD PRO 5 1.638 -9.624 7.132 31 H THR 6 H THR 6 0.774 -4.514 8.717 32 HA THR 6 HA THR 6 1.991 -2.894 6.722 33 HB THR 6 HB THR 6 1.022 -1.129 8.451 34 HG1 THR 6 HG1 THR 6 -0.231 -1.915 9.951 35 1HG2 THR 6 1HG2 THR 6 -1.268 -1.552 7.546 36 2HG2 THR 6 2HG2 THR 6 -0.713 -3.132 6.948 37 3HG2 THR 6 3HG2 THR 6 -0.023 -1.640 6.287 38 H TYR 7 H TYR 7 3.537 -1.134 7.155 39 HA TYR 7 HA TYR 7 5.268 -1.555 9.550 40 1HB TYR 7 1HB TYR 7 6.203 -2.605 7.452 41 2HB TYR 7 2HB TYR 7 6.317 -0.998 6.766 42 HD1 TYR 7 HD1 TYR 7 7.691 -3.396 9.189 43 HD2 TYR 7 HD2 TYR 7 7.906 0.700 7.838 44 HE1 TYR 7 HE1 TYR 7 9.831 -3.120 10.375 45 HE2 TYR 7 HE2 TYR 7 10.050 0.984 9.039 46 HH TYR 7 HH TYR 7 11.299 -1.355 11.278 47 HA PRO 8 HA PRO 8 3.773 2.803 9.108 48 1HB PRO 8 1HB PRO 8 3.226 3.324 11.735 49 2HB PRO 8 2HB PRO 8 2.114 2.388 10.700 50 1HG PRO 8 1HG PRO 8 4.215 1.317 12.611 51 2HG PRO 8 2HG PRO 8 2.482 0.866 12.509 52 1HD PRO 8 1HD PRO 8 4.422 -0.596 11.276 53 2HD PRO 8 2HD PRO 8 2.820 -0.357 10.513 54 H GLY 9 H GLY 9 4.661 4.827 10.189 55 1HA GLY 9 1HA GLY 9 6.312 5.958 11.466 56 2HA GLY 9 2HA GLY 9 7.357 4.538 11.412 57 HA PRO 11 HA PRO 11 13.286 7.178 -0.175 58 1HB PRO 11 1HB PRO 11 11.230 5.464 -0.726 59 2HB PRO 11 2HB PRO 11 12.598 5.026 0.338 60 1HG PRO 11 1HG PRO 11 9.849 5.962 1.162 61 2HG PRO 11 2HG PRO 11 10.797 4.602 1.803 62 1HD PRO 11 1HD PRO 11 10.726 7.061 3.010 63 2HD PRO 11 2HD PRO 11 12.181 6.025 3.044 64 H VAL 12 H VAL 12 12.084 7.090 -2.301 65 HA VAL 12 HA VAL 12 10.142 9.340 -2.540 66 HB VAL 12 HB VAL 12 12.507 8.501 -4.229 67 1HG1 VAL 12 1HG1 VAL 12 10.277 10.373 -5.065 68 2HG1 VAL 12 2HG1 VAL 12 11.846 10.209 -5.896 69 3HG1 VAL 12 3HG1 VAL 12 10.729 8.849 -5.857 70 1HG2 VAL 12 1HG2 VAL 12 13.175 10.839 -3.961 71 2HG2 VAL 12 2HG2 VAL 12 11.697 11.169 -3.026 72 3HG2 VAL 12 3HG2 VAL 12 12.944 10.079 -2.381 73 H GLU 13 H GLU 13 11.112 6.482 -4.603 74 HA GLU 13 HA GLU 13 8.321 6.229 -5.407 75 1HB GLU 13 1HB GLU 13 10.838 4.580 -5.870 76 2HB GLU 13 2HB GLU 13 9.248 3.992 -6.359 77 1HG GLU 13 1HG GLU 13 10.378 6.679 -7.251 78 2HG GLU 13 2HG GLU 13 10.501 5.198 -8.187 79 H ASP 14 H ASP 14 10.442 4.389 -3.176 80 HA ASP 14 HA ASP 14 8.473 2.491 -2.517 81 1HB ASP 14 1HB ASP 14 11.058 2.654 -1.921 82 2HB ASP 14 2HB ASP 14 10.434 3.301 -0.397 83 H LEU 15 H LEU 15 8.749 5.823 -1.472 84 HA LEU 15 HA LEU 15 7.120 5.641 0.873 85 1HB LEU 15 1HB LEU 15 8.561 7.573 0.535 86 2HB LEU 15 2HB LEU 15 7.801 7.933 -1.016 87 HG LEU 15 HG LEU 15 5.719 8.512 0.060 88 1HD1 LEU 15 1HD1 LEU 15 5.702 7.058 2.044 89 2HD1 LEU 15 2HD1 LEU 15 5.639 8.728 2.574 90 3HD1 LEU 15 3HD1 LEU 15 7.178 7.832 2.663 91 1HD2 LEU 15 1HD2 LEU 15 6.471 10.547 1.250 92 2HD2 LEU 15 2HD2 LEU 15 7.352 10.248 -0.248 93 3HD2 LEU 15 3HD2 LEU 15 8.120 9.888 1.313 94 H ILE 16 H ILE 16 6.469 6.265 -2.604 95 HA ILE 16 HA ILE 16 3.651 6.760 -2.223 96 HB ILE 16 HB ILE 16 5.188 5.846 -4.698 97 1HG1 ILE 16 1HG1 ILE 16 6.017 7.983 -3.978 98 2HG1 ILE 16 2HG1 ILE 16 5.039 8.206 -5.410 99 1HG2 ILE 16 1HG2 ILE 16 3.228 6.740 -5.975 100 2HG2 ILE 16 2HG2 ILE 16 2.842 5.311 -5.013 101 3HG2 ILE 16 3HG2 ILE 16 2.342 6.915 -4.443 102 1HD1 ILE 16 1HD1 ILE 16 3.164 9.039 -3.956 103 2HD1 ILE 16 2HD1 ILE 16 4.254 8.902 -2.551 104 3HD1 ILE 16 3HD1 ILE 16 4.636 10.019 -3.869 105 H ARG 17 H ARG 17 5.619 3.837 -2.844 106 HA ARG 17 HA ARG 17 3.407 2.014 -3.063 107 1HB ARG 17 1HB ARG 17 6.320 1.644 -2.236 108 2HB ARG 17 2HB ARG 17 5.154 0.334 -2.115 109 1HG ARG 17 1HG ARG 17 6.350 0.113 -4.169 110 2HG ARG 17 2HG ARG 17 4.650 0.440 -4.470 111 1HD ARG 17 1HD ARG 17 5.339 2.892 -4.928 112 2HD ARG 17 2HD ARG 17 7.010 2.340 -4.760 113 HE ARG 17 HE ARG 17 6.948 1.498 -6.846 114 1HH1 ARG 17 1HH1 ARG 17 3.641 1.951 -5.766 115 2HH1 ARG 17 2HH1 ARG 17 2.976 0.905 -6.963 116 1HH2 ARG 17 1HH2 ARG 17 5.987 0.755 -8.841 117 2HH2 ARG 17 2HH2 ARG 17 4.255 0.530 -8.941 118 H PHE 18 H PHE 18 5.234 3.157 -0.230 119 HA PHE 18 HA PHE 18 3.824 1.681 1.718 120 1HB PHE 18 1HB PHE 18 6.047 2.623 2.077 121 2HB PHE 18 2HB PHE 18 5.475 4.233 1.740 122 HD1 PHE 18 HD1 PHE 18 6.232 5.367 3.630 123 HD2 PHE 18 HD2 PHE 18 3.865 1.795 4.140 124 HE1 PHE 18 HE1 PHE 18 6.025 5.846 6.053 125 HE2 PHE 18 HE2 PHE 18 3.620 2.310 6.533 126 HZ PHE 18 HZ PHE 18 4.719 4.322 7.512 127 H TYR 19 H TYR 19 2.641 4.311 -0.127 128 HA TYR 19 HA TYR 19 0.619 4.970 1.960 129 1HB TYR 19 1HB TYR 19 2.118 6.509 0.108 130 2HB TYR 19 2HB TYR 19 0.506 6.457 -0.569 131 HD1 TYR 19 HD1 TYR 19 -1.373 6.613 1.551 132 HD2 TYR 19 HD2 TYR 19 2.531 8.440 1.318 133 HE1 TYR 19 HE1 TYR 19 -2.153 8.433 2.980 134 HE2 TYR 19 HE2 TYR 19 1.747 10.293 2.764 135 HH TYR 19 HH TYR 19 -1.695 10.598 3.650 136 H ASN 20 H ASN 20 1.030 3.949 -1.355 137 HA ASN 20 HA ASN 20 -1.538 3.621 -2.281 138 1HB ASN 20 1HB ASN 20 0.552 3.734 -3.525 139 2HB ASN 20 2HB ASN 20 1.041 2.159 -2.933 140 1HD2 ASN 20 2HD2 ASN 20 0.248 0.321 -3.923 141 2HD2 ASN 20 1HD2 ASN 20 -0.665 0.357 -5.401 142 H ASP 21 H ASP 21 0.296 1.240 -0.299 143 HA ASP 21 HA ASP 21 -1.632 -0.872 -1.003 144 1HB ASP 21 1HB ASP 21 0.796 -1.365 -0.481 145 2HB ASP 21 2HB ASP 21 0.409 -1.089 1.225 146 H LEU 22 H LEU 22 -1.180 1.351 1.683 147 HA LEU 22 HA LEU 22 -3.038 0.221 3.536 148 1HB LEU 22 1HB LEU 22 -2.118 3.083 3.026 149 2HB LEU 22 2HB LEU 22 -3.295 2.714 4.271 150 HG LEU 22 HG LEU 22 -0.542 1.419 4.221 151 1HD1 LEU 22 1HD1 LEU 22 -1.440 3.926 5.721 152 2HD1 LEU 22 2HD1 LEU 22 -0.332 3.888 4.329 153 3HD1 LEU 22 3HD1 LEU 22 0.146 3.129 5.839 154 1HD2 LEU 22 1HD2 LEU 22 -2.216 0.248 5.612 155 2HD2 LEU 22 2HD2 LEU 22 -2.616 1.770 6.440 156 3HD2 LEU 22 3HD2 LEU 22 -1.011 1.039 6.627 157 H GLN 23 H GLN 23 -3.458 2.777 1.048 158 HA GLN 23 HA GLN 23 -6.321 2.910 1.462 159 1HB GLN 23 1HB GLN 23 -6.397 4.178 -0.652 160 2HB GLN 23 2HB GLN 23 -5.167 4.795 0.454 161 1HG GLN 23 1HG GLN 23 -3.391 3.724 -0.823 162 2HG GLN 23 2HG GLN 23 -4.576 2.898 -1.838 163 1HE2 GLN 23 2HE2 GLN 23 -4.107 3.736 -3.831 164 2HE2 GLN 23 1HE2 GLN 23 -4.080 5.449 -4.203 165 H GLN 24 H GLN 24 -4.324 0.702 -0.424 166 HA GLN 24 HA GLN 24 -6.449 -0.260 -2.093 167 1HB GLN 24 1HB GLN 24 -4.020 -0.529 -2.547 168 2HB GLN 24 2HB GLN 24 -3.920 -1.683 -1.230 169 1HG GLN 24 1HG GLN 24 -5.580 -3.134 -2.411 170 2HG GLN 24 2HG GLN 24 -5.550 -1.996 -3.771 171 1HE2 GLN 24 2HE2 GLN 24 -2.862 -1.390 -4.090 172 2HE2 GLN 24 1HE2 GLN 24 -1.899 -2.844 -4.205 173 H TYR 25 H TYR 25 -5.156 -1.205 1.043 174 HA TYR 25 HA TYR 25 -6.826 -3.441 1.547 175 1HB TYR 25 1HB TYR 25 -4.748 -2.434 2.826 176 2HB TYR 25 2HB TYR 25 -5.931 -1.488 3.708 177 HD1 TYR 25 HD1 TYR 25 -7.443 -2.592 5.354 178 HD2 TYR 25 HD2 TYR 25 -4.603 -4.853 3.012 179 HE1 TYR 25 HE1 TYR 25 -7.652 -4.488 6.936 180 HE2 TYR 25 HE2 TYR 25 -4.773 -6.723 4.631 181 HH TYR 25 HH TYR 25 -6.550 -6.606 7.628 182 H LEU 26 H LEU 26 -7.714 -0.217 1.240 183 HA LEU 26 HA LEU 26 -10.314 -0.641 2.568 184 1HB LEU 26 1HB LEU 26 -8.765 1.947 2.059 185 2HB LEU 26 2HB LEU 26 -10.346 1.874 2.826 186 HG LEU 26 HG LEU 26 -7.868 0.519 3.977 187 1HD1 LEU 26 1HD1 LEU 26 -7.751 2.423 5.539 188 2HD1 LEU 26 2HD1 LEU 26 -9.043 3.246 4.628 189 3HD1 LEU 26 3HD1 LEU 26 -7.471 2.912 3.868 190 1HD2 LEU 26 1HD2 LEU 26 -9.167 0.492 6.072 191 2HD2 LEU 26 2HD2 LEU 26 -9.971 -0.436 4.806 192 3HD2 LEU 26 3HD2 LEU 26 -10.571 1.181 5.229 193 H ASN 27 H ASN 27 -8.898 -0.586 -0.429 194 HA ASN 27 HA ASN 27 -11.401 0.289 -1.716 195 1HB ASN 27 1HB ASN 27 -8.493 0.812 -2.282 196 2HB ASN 27 2HB ASN 27 -9.405 0.295 -3.634 197 1HD2 ASN 27 2HD2 ASN 27 -8.909 2.863 -1.345 198 2HD2 ASN 27 1HD2 ASN 27 -9.993 4.025 -2.124 199 H VAL 28 H VAL 28 -9.465 -2.386 -1.080 200 HA VAL 28 HA VAL 28 -10.729 -3.895 -3.307 201 HB VAL 28 HB VAL 28 -8.106 -4.204 -1.783 202 1HG1 VAL 28 1HG1 VAL 28 -8.910 -6.472 -2.267 203 2HG1 VAL 28 2HG1 VAL 28 -9.151 -6.027 -3.976 204 3HG1 VAL 28 3HG1 VAL 28 -7.520 -6.067 -3.262 205 1HG2 VAL 28 1HG2 VAL 28 -8.763 -3.567 -4.707 206 2HG2 VAL 28 2HG2 VAL 28 -7.996 -2.478 -3.534 207 3HG2 VAL 28 3HG2 VAL 28 -7.131 -3.905 -4.117 208 H VAL 29 H VAL 29 -10.646 -3.438 0.132 209 HA VAL 29 HA VAL 29 -11.735 -6.164 0.539 210 HB VAL 29 HB VAL 29 -11.099 -3.978 2.521 211 1HG1 VAL 29 1HG1 VAL 29 -12.812 -5.580 3.378 212 2HG1 VAL 29 2HG1 VAL 29 -11.769 -6.939 2.918 213 3HG1 VAL 29 3HG1 VAL 29 -11.260 -5.826 4.199 214 1HG2 VAL 29 1HG2 VAL 29 -9.139 -5.389 3.088 215 2HG2 VAL 29 2HG2 VAL 29 -9.580 -6.520 1.798 216 3HG2 VAL 29 3HG2 VAL 29 -9.055 -4.866 1.407 217 H THR 30 H THR 30 -12.842 -2.886 1.414 218 HA THR 30 HA THR 30 -15.527 -3.677 1.781 219 HB THR 30 HB THR 30 -15.796 -1.114 1.535 220 HG1 THR 30 HG1 THR 30 -13.712 -0.070 1.873 221 1HG2 THR 30 1HG2 THR 30 -13.893 -2.209 3.655 222 2HG2 THR 30 2HG2 THR 30 -15.668 -2.288 3.729 223 3HG2 THR 30 3HG2 THR 30 -14.848 -0.721 3.785 224 H ARG 31 H ARG 31 -13.740 -2.685 -1.112 225 HA ARG 31 HA ARG 31 -16.070 -2.139 -2.642 226 1HB ARG 31 1HB ARG 31 -13.676 -1.529 -3.112 227 2HB ARG 31 2HB ARG 31 -13.404 -3.175 -3.696 228 1HG ARG 31 1HG ARG 31 -13.706 -1.655 -5.531 229 2HG ARG 31 2HG ARG 31 -15.110 -2.730 -5.506 230 1HD ARG 31 1HD ARG 31 -16.557 -1.040 -4.802 231 2HD ARG 31 2HD ARG 31 -15.294 -0.129 -3.971 232 HE ARG 31 HE ARG 31 -15.950 -0.127 -6.840 233 1HH1 ARG 31 1HH1 ARG 31 -13.875 1.224 -4.259 234 2HH1 ARG 31 2HH1 ARG 31 -13.357 2.573 -5.205 235 1HH2 ARG 31 1HH2 ARG 31 -15.021 1.462 -8.134 236 2HH2 ARG 31 2HH2 ARG 31 -13.956 2.687 -7.483 237 H HIS 32 H HIS 32 -14.940 -5.145 -1.505 238 HA HIS 32 HA HIS 32 -16.649 -6.679 -3.400 239 1HB HIS 32 1HB HIS 32 -14.192 -7.375 -1.750 240 2HB HIS 32 2HB HIS 32 -15.243 -8.593 -2.444 241 HD1 HIS 32 HD1 HIS 32 -14.123 -9.557 -4.568 242 HD2 HIS 32 HD2 HIS 32 -13.500 -5.420 -4.000 243 HE1 HIS 32 HE1 HIS 32 -12.805 -8.747 -6.567 244 H ARG 33 H ARG 33 -16.695 -5.373 -0.272 245 HA ARG 33 HA ARG 33 -18.655 -7.442 0.641 246 1HB ARG 33 1HB ARG 33 -16.553 -7.699 1.806 247 2HB ARG 33 2HB ARG 33 -16.550 -5.993 2.286 248 1HG ARG 33 1HG ARG 33 -18.376 -6.287 3.768 249 2HG ARG 33 2HG ARG 33 -18.824 -7.845 3.057 250 1HD ARG 33 1HD ARG 33 -16.912 -8.940 3.995 251 2HD ARG 33 2HD ARG 33 -16.192 -7.412 4.523 252 HE ARG 33 HE ARG 33 -18.501 -8.851 5.700 253 1HH1 ARG 33 1HH1 ARG 33 -16.620 -5.857 5.709 254 2HH1 ARG 33 2HH1 ARG 33 -17.376 -5.214 7.127 255 1HH2 ARG 33 1HH2 ARG 33 -19.148 -8.250 7.760 256 2HH2 ARG 33 2HH2 ARG 33 -18.662 -6.739 8.478 257 H TYR 34 H TYR 34 -18.207 -4.138 -0.052 258 HA TYR 34 HA TYR 34 -20.757 -3.383 1.243 259 1HB TYR 34 1HB TYR 34 -18.582 -2.401 2.240 260 2HB TYR 34 2HB TYR 34 -18.389 -1.542 0.719 261 HD1 TYR 34 HD1 TYR 34 -20.123 0.182 0.008 262 HD2 TYR 34 HD2 TYR 34 -20.223 -1.760 3.871 263 HE1 TYR 34 HE1 TYR 34 -21.648 1.926 0.856 264 HE2 TYR 34 HE2 TYR 34 -21.748 -0.032 4.699 265 HH TYR 34 HH TYR 34 -23.014 1.825 4.182 266 1HN NH2 35 1H NH2 35 -18.374 -2.893 -1.440 267 2HN NH2 35 2H NH2 35 -19.613 -2.816 -2.676 268 2HN ZAB 10 H AZO 10 7.124 7.562 10.235 269 2HA ZAB 10 2HA AZO 10 7.873 7.167 7.446 270 3HA ZAB 10 3HA AZO 10 7.811 8.692 8.363 271 HG2 ZAB 10 HG2 AZO 10 9.709 9.369 9.806 272 HD2 ZAB 10 HD2 AZO 10 12.181 9.236 10.150 273 HE ZAB 10 HE AZO 10 13.477 7.375 9.131 274 HG1 ZAB 10 HG1 AZO 10 9.852 5.804 7.415 275 HJ2 ZAB 10 HJ2 AZO 10 15.891 5.892 6.871 276 HK2 ZAB 10 HK2 AZO 10 16.927 7.639 5.457 277 HL ZAB 10 HL AZO 10 15.502 9.091 4.028 278 HJ1 ZAB 10 HJ1 AZO 10 12.006 6.944 5.341 279 2HM ZAB 10 2HM AZO 10 11.773 8.852 3.913 280 3HM ZAB 10 3HM AZO 10 13.109 9.976 3.739 Start of MODEL 18 1 1H GLY 1 H GLY 1 1.658 -2.093 12.028 2 1HA GLY 1 1HA GLY 1 3.955 -2.439 11.184 3 2HA GLY 1 2HA GLY 1 3.548 -0.714 11.355 4 HA PRO 2 HA PRO 2 7.358 -1.340 13.836 5 1HB PRO 2 1HB PRO 2 8.389 1.202 13.458 6 2HB PRO 2 2HB PRO 2 8.690 -0.206 12.422 7 1HG PRO 2 1HG PRO 2 6.949 2.137 11.859 8 2HG PRO 2 2HG PRO 2 7.740 1.010 10.739 9 1HD PRO 2 1HD PRO 2 5.011 1.030 11.618 10 2HD PRO 2 2HD PRO 2 5.809 -0.197 10.592 11 H SER 3 H SER 3 7.930 -0.481 15.858 12 HA SER 3 HA SER 3 5.875 0.363 17.611 13 1HB SER 3 1HB SER 3 8.051 -1.069 17.874 14 2HB SER 3 2HB SER 3 8.872 0.474 18.118 15 HG SER 3 HG SER 3 8.284 -0.547 20.021 16 H GLN 4 H GLN 4 7.708 2.193 15.490 17 HA GLN 4 HA GLN 4 7.239 4.802 16.774 18 1HB GLN 4 1HB GLN 4 9.431 5.447 15.547 19 2HB GLN 4 2HB GLN 4 9.603 4.585 17.073 20 1HG GLN 4 1HG GLN 4 10.406 2.653 16.080 21 2HG GLN 4 2HG GLN 4 9.513 2.889 14.593 22 1HE2 GLN 4 2HE2 GLN 4 11.070 2.653 13.084 23 2HE2 GLN 4 1HE2 GLN 4 12.399 3.783 12.901 24 HA PRO 5 HA PRO 5 5.523 5.218 12.673 25 1HB PRO 5 1HB PRO 5 5.484 7.927 12.288 26 2HB PRO 5 2HB PRO 5 4.450 7.128 13.511 27 1HG PRO 5 1HG PRO 5 7.130 8.489 13.914 28 2HG PRO 5 2HG PRO 5 5.622 8.711 14.866 29 1HD PRO 5 1HD PRO 5 7.635 7.041 15.669 30 2HD PRO 5 2HD PRO 5 5.916 6.639 15.958 31 H THR 6 H THR 6 6.100 5.946 10.403 32 HA THR 6 HA THR 6 9.017 6.488 10.076 33 HB THR 6 HB THR 6 7.486 4.664 8.216 34 HG1 THR 6 HG1 THR 6 7.306 3.510 9.971 35 1HG2 THR 6 1HG2 THR 6 9.774 5.499 7.533 36 2HG2 THR 6 2HG2 THR 6 9.690 3.743 7.718 37 3HG2 THR 6 3HG2 THR 6 10.436 4.724 8.989 38 H TYR 7 H TYR 7 9.576 7.718 8.265 39 HA TYR 7 HA TYR 7 9.395 9.480 6.906 40 1HB TYR 7 1HB TYR 7 6.860 8.415 5.751 41 2HB TYR 7 2HB TYR 7 8.187 9.238 4.961 42 HD1 TYR 7 HD1 TYR 7 6.726 6.072 5.940 43 HD2 TYR 7 HD2 TYR 7 10.428 7.930 4.713 44 HE1 TYR 7 HE1 TYR 7 7.583 3.881 5.292 45 HE2 TYR 7 HE2 TYR 7 11.324 5.724 4.079 46 HH TYR 7 HH TYR 7 10.952 3.491 4.038 47 HA PRO 8 HA PRO 8 6.299 11.690 9.551 48 1HB PRO 8 1HB PRO 8 7.962 13.608 10.592 49 2HB PRO 8 2HB PRO 8 7.862 11.945 11.218 50 1HG PRO 8 1HG PRO 8 9.879 13.049 9.239 51 2HG PRO 8 2HG PRO 8 10.203 12.120 10.732 52 1HD PRO 8 1HD PRO 8 10.097 10.915 8.311 53 2HD PRO 8 2HD PRO 8 9.448 10.110 9.770 54 H GLY 9 H GLY 9 7.165 12.016 6.533 55 1HA GLY 9 1HA GLY 9 5.660 14.134 5.753 56 2HA GLY 9 2HA GLY 9 7.309 14.773 5.862 57 HA PRO 11 HA PRO 11 12.246 9.165 -4.479 58 1HB PRO 11 1HB PRO 11 11.575 6.803 -3.212 59 2HB PRO 11 2HB PRO 11 13.229 7.300 -3.648 60 1HG PRO 11 1HG PRO 11 11.848 7.553 -0.965 61 2HG PRO 11 2HG PRO 11 13.511 6.989 -1.293 62 1HD PRO 11 1HD PRO 11 12.873 9.519 -0.473 63 2HD PRO 11 2HD PRO 11 14.250 9.206 -1.570 64 H VAL 12 H VAL 12 10.322 9.465 -5.400 65 HA VAL 12 HA VAL 12 7.976 10.114 -3.868 66 HB VAL 12 HB VAL 12 8.211 9.503 -6.846 67 1HG1 VAL 12 1HG1 VAL 12 5.889 9.582 -6.097 68 2HG1 VAL 12 2HG1 VAL 12 6.183 11.098 -5.216 69 3HG1 VAL 12 3HG1 VAL 12 6.231 11.063 -6.985 70 1HG2 VAL 12 1HG2 VAL 12 8.585 12.155 -5.404 71 2HG2 VAL 12 2HG2 VAL 12 9.836 11.272 -6.306 72 3HG2 VAL 12 3HG2 VAL 12 8.463 11.951 -7.166 73 H GLU 13 H GLU 13 8.981 7.257 -5.879 74 HA GLU 13 HA GLU 13 6.523 5.880 -5.473 75 1HB GLU 13 1HB GLU 13 9.273 5.131 -6.444 76 2HB GLU 13 2HB GLU 13 8.190 3.836 -5.991 77 1HG GLU 13 1HG GLU 13 7.502 6.052 -7.971 78 2HG GLU 13 2HG GLU 13 8.037 4.426 -8.399 79 H ASP 14 H ASP 14 9.271 6.187 -3.313 80 HA ASP 14 HA ASP 14 8.557 3.833 -1.733 81 1HB ASP 14 1HB ASP 14 10.845 4.812 -1.750 82 2HB ASP 14 2HB ASP 14 10.172 6.282 -1.020 83 H LEU 15 H LEU 15 7.558 7.189 -1.888 84 HA LEU 15 HA LEU 15 6.217 7.232 0.693 85 1HB LEU 15 1HB LEU 15 7.376 9.194 -0.241 86 2HB LEU 15 2HB LEU 15 6.327 9.165 -1.659 87 HG LEU 15 HG LEU 15 4.373 9.644 -0.280 88 1HD1 LEU 15 1HD1 LEU 15 4.709 10.407 2.106 89 2HD1 LEU 15 2HD1 LEU 15 6.356 9.760 2.046 90 3HD1 LEU 15 3HD1 LEU 15 4.959 8.683 1.874 91 1HD2 LEU 15 1HD2 LEU 15 6.745 11.521 0.117 92 2HD2 LEU 15 2HD2 LEU 15 5.050 11.992 0.348 93 3HD2 LEU 15 3HD2 LEU 15 5.626 11.496 -1.247 94 H ILE 16 H ILE 16 5.302 7.425 -2.751 95 HA ILE 16 HA ILE 16 2.546 7.102 -2.431 96 HB ILE 16 HB ILE 16 4.386 6.432 -4.760 97 1HG1 ILE 16 1HG1 ILE 16 4.468 8.794 -4.293 98 2HG1 ILE 16 2HG1 ILE 16 3.540 8.536 -5.745 99 1HG2 ILE 16 1HG2 ILE 16 2.372 5.161 -5.163 100 2HG2 ILE 16 2HG2 ILE 16 1.353 6.560 -4.787 101 3HG2 ILE 16 3HG2 ILE 16 2.395 6.556 -6.232 102 1HD1 ILE 16 1HD1 ILE 16 2.429 10.227 -4.545 103 2HD1 ILE 16 2HD1 ILE 16 1.439 8.795 -4.216 104 3HD1 ILE 16 3HD1 ILE 16 2.592 9.382 -3.002 105 H ARG 17 H ARG 17 4.947 4.402 -3.151 106 HA ARG 17 HA ARG 17 2.874 2.466 -3.249 107 1HB ARG 17 1HB ARG 17 5.167 2.031 -4.073 108 2HB ARG 17 2HB ARG 17 5.771 2.018 -2.402 109 1HG ARG 17 1HG ARG 17 4.438 0.060 -1.856 110 2HG ARG 17 2HG ARG 17 3.613 0.120 -3.408 111 1HD ARG 17 1HD ARG 17 6.580 -0.429 -3.011 112 2HD ARG 17 2HD ARG 17 5.360 -1.665 -3.263 113 HE ARG 17 HE ARG 17 6.605 0.005 -5.247 114 1HH1 ARG 17 1HH1 ARG 17 3.630 -1.895 -4.703 115 2HH1 ARG 17 2HH1 ARG 17 3.028 -1.639 -6.297 116 1HH2 ARG 17 1HH2 ARG 17 5.871 0.281 -7.292 117 2HH2 ARG 17 2HH2 ARG 17 4.319 -0.340 -7.812 118 H PHE 18 H PHE 18 4.814 3.495 -0.405 119 HA PHE 18 HA PHE 18 3.641 1.620 1.354 120 1HB PHE 18 1HB PHE 18 5.714 3.049 1.683 121 2HB PHE 18 2HB PHE 18 4.668 4.400 2.033 122 HD1 PHE 18 HD1 PHE 18 4.256 4.812 4.354 123 HD2 PHE 18 HD2 PHE 18 5.133 0.800 3.032 124 HE1 PHE 18 HE1 PHE 18 4.289 4.034 6.709 125 HE2 PHE 18 HE2 PHE 18 5.171 0.037 5.390 126 HZ PHE 18 HZ PHE 18 4.754 1.645 7.223 127 H TYR 19 H TYR 19 2.422 4.731 0.151 128 HA TYR 19 HA TYR 19 0.315 4.836 2.184 129 1HB TYR 19 1HB TYR 19 1.437 6.828 0.909 130 2HB TYR 19 2HB TYR 19 0.415 6.409 -0.423 131 HD1 TYR 19 HD1 TYR 19 -1.411 7.832 -0.588 132 HD2 TYR 19 HD2 TYR 19 -0.085 6.666 3.349 133 HE1 TYR 19 HE1 TYR 19 -3.402 8.886 0.386 134 HE2 TYR 19 HE2 TYR 19 -2.010 7.790 4.346 135 HH TYR 19 HH TYR 19 -3.956 8.922 3.964 136 H ASN 20 H ASN 20 0.587 4.168 -1.248 137 HA ASN 20 HA ASN 20 -2.158 3.639 -1.832 138 1HB ASN 20 1HB ASN 20 -0.514 3.989 -3.612 139 2HB ASN 20 2HB ASN 20 0.347 2.509 -3.143 140 1HD2 ASN 20 2HD2 ASN 20 -0.393 0.530 -3.987 141 2HD2 ASN 20 1HD2 ASN 20 -1.964 0.363 -4.785 142 H ASP 21 H ASP 21 0.417 1.590 -0.469 143 HA ASP 21 HA ASP 21 -0.911 -0.906 -0.667 144 1HB ASP 21 1HB ASP 21 1.491 -0.633 -0.101 145 2HB ASP 21 2HB ASP 21 1.045 0.048 1.473 146 H LEU 22 H LEU 22 -1.024 1.625 1.862 147 HA LEU 22 HA LEU 22 -2.762 0.173 3.651 148 1HB LEU 22 1HB LEU 22 -2.266 3.165 3.284 149 2HB LEU 22 2HB LEU 22 -3.261 2.502 4.559 150 HG LEU 22 HG LEU 22 -0.327 1.807 4.209 151 1HD1 LEU 22 1HD1 LEU 22 0.086 3.371 6.070 152 2HD1 LEU 22 2HD1 LEU 22 -1.629 3.847 6.066 153 3HD1 LEU 22 3HD1 LEU 22 -0.587 4.205 4.667 154 1HD2 LEU 22 1HD2 LEU 22 -0.519 1.048 6.577 155 2HD2 LEU 22 2HD2 LEU 22 -1.567 0.117 5.511 156 3HD2 LEU 22 3HD2 LEU 22 -2.266 1.387 6.540 157 H GLN 23 H GLN 23 -3.288 2.464 0.970 158 HA GLN 23 HA GLN 23 -6.159 2.588 1.275 159 1HB GLN 23 1HB GLN 23 -4.371 3.173 -1.125 160 2HB GLN 23 2HB GLN 23 -6.107 3.485 -1.064 161 1HG GLN 23 1HG GLN 23 -5.794 5.011 0.846 162 2HG GLN 23 2HG GLN 23 -4.056 4.739 0.815 163 1HE2 GLN 23 2HE2 GLN 23 -2.835 5.907 -0.635 164 2HE2 GLN 23 1HE2 GLN 23 -3.464 7.048 -1.803 165 H GLN 24 H GLN 24 -4.007 0.261 -0.321 166 HA GLN 24 HA GLN 24 -5.891 -0.900 -2.071 167 1HB GLN 24 1HB GLN 24 -3.407 -1.236 -2.064 168 2HB GLN 24 2HB GLN 24 -3.606 -2.345 -0.706 169 1HG GLN 24 1HG GLN 24 -4.895 -3.887 -2.024 170 2HG GLN 24 2HG GLN 24 -5.109 -2.720 -3.329 171 1HE2 GLN 24 2HE2 GLN 24 -3.013 -1.939 -4.437 172 2HE2 GLN 24 1HE2 GLN 24 -1.762 -3.147 -4.657 173 H TYR 25 H TYR 25 -5.161 -1.510 1.316 174 HA TYR 25 HA TYR 25 -6.884 -3.717 1.715 175 1HB TYR 25 1HB TYR 25 -5.124 -2.689 3.283 176 2HB TYR 25 2HB TYR 25 -6.341 -1.529 3.761 177 HD1 TYR 25 HD1 TYR 25 -7.724 -2.088 5.640 178 HD2 TYR 25 HD2 TYR 25 -5.749 -5.224 3.433 179 HE1 TYR 25 HE1 TYR 25 -8.397 -3.722 7.366 180 HE2 TYR 25 HE2 TYR 25 -6.419 -6.868 5.142 181 HH TYR 25 HH TYR 25 -8.349 -5.953 8.030 182 H LEU 26 H LEU 26 -7.628 -0.213 1.526 183 HA LEU 26 HA LEU 26 -10.403 -0.747 2.250 184 1HB LEU 26 1HB LEU 26 -9.063 1.814 1.343 185 2HB LEU 26 2HB LEU 26 -10.698 1.713 1.958 186 HG LEU 26 HG LEU 26 -8.241 0.950 3.580 187 1HD1 LEU 26 1HD1 LEU 26 -8.506 3.099 4.715 188 2HD1 LEU 26 2HD1 LEU 26 -9.856 3.528 3.643 189 3HD1 LEU 26 3HD1 LEU 26 -8.215 3.349 2.995 190 1HD2 LEU 26 1HD2 LEU 26 -10.293 -0.138 4.392 191 2HD2 LEU 26 2HD2 LEU 26 -11.125 1.433 4.418 192 3HD2 LEU 26 3HD2 LEU 26 -9.769 1.113 5.518 193 H ASN 27 H ASN 27 -8.646 -0.564 -0.583 194 HA ASN 27 HA ASN 27 -10.981 -0.217 -2.261 195 1HB ASN 27 1HB ASN 27 -7.967 -0.099 -2.536 196 2HB ASN 27 2HB ASN 27 -8.901 -0.397 -3.937 197 1HD2 ASN 27 2HD2 ASN 27 -7.840 1.980 -1.775 198 2HD2 ASN 27 1HD2 ASN 27 -8.632 3.378 -2.473 199 H VAL 28 H VAL 28 -9.486 -2.873 -0.991 200 HA VAL 28 HA VAL 28 -10.669 -4.550 -3.164 201 HB VAL 28 HB VAL 28 -8.194 -5.013 -1.409 202 1HG1 VAL 28 1HG1 VAL 28 -9.512 -6.871 -3.432 203 2HG1 VAL 28 2HG1 VAL 28 -7.875 -7.077 -2.789 204 3HG1 VAL 28 3HG1 VAL 28 -9.249 -7.164 -1.699 205 1HG2 VAL 28 1HG2 VAL 28 -8.440 -4.659 -4.439 206 2HG2 VAL 28 2HG2 VAL 28 -7.753 -3.472 -3.306 207 3HG2 VAL 28 3HG2 VAL 28 -6.944 -5.013 -3.545 208 H VAL 29 H VAL 29 -10.699 -3.679 0.155 209 HA VAL 29 HA VAL 29 -12.286 -6.115 0.768 210 HB VAL 29 HB VAL 29 -11.187 -4.050 2.659 211 1HG1 VAL 29 1HG1 VAL 29 -12.429 -6.767 3.072 212 2HG1 VAL 29 2HG1 VAL 29 -11.591 -5.834 4.336 213 3HG1 VAL 29 3HG1 VAL 29 -13.064 -5.176 3.586 214 1HG2 VAL 29 1HG2 VAL 29 -9.323 -5.332 1.521 215 2HG2 VAL 29 2HG2 VAL 29 -9.470 -5.754 3.222 216 3HG2 VAL 29 3HG2 VAL 29 -10.128 -6.839 1.983 217 H THR 30 H THR 30 -12.557 -2.612 1.356 218 HA THR 30 HA THR 30 -15.398 -2.907 1.711 219 HB THR 30 HB THR 30 -14.948 -0.183 1.426 220 HG1 THR 30 HG1 THR 30 -12.735 -0.336 1.454 221 1HG2 THR 30 1HG2 THR 30 -16.244 -1.388 3.204 222 2HG2 THR 30 2HG2 THR 30 -15.169 -0.144 3.845 223 3HG2 THR 30 3HG2 THR 30 -14.709 -1.857 3.955 224 H ARG 31 H ARG 31 -13.411 -2.008 -1.095 225 HA ARG 31 HA ARG 31 -15.555 -0.950 -2.606 226 1HB ARG 31 1HB ARG 31 -13.030 -0.973 -3.123 227 2HB ARG 31 2HB ARG 31 -13.287 -2.606 -3.753 228 1HG ARG 31 1HG ARG 31 -14.931 -1.561 -5.434 229 2HG ARG 31 2HG ARG 31 -14.381 0.023 -4.834 230 1HD ARG 31 1HD ARG 31 -11.980 -0.849 -5.306 231 2HD ARG 31 2HD ARG 31 -12.750 -2.173 -6.180 232 HE ARG 31 HE ARG 31 -13.324 -0.766 -7.900 233 1HH1 ARG 31 1HH1 ARG 31 -11.563 1.067 -5.353 234 2HH1 ARG 31 2HH1 ARG 31 -11.215 2.383 -6.379 235 1HH2 ARG 31 1HH2 ARG 31 -12.732 1.060 -9.291 236 2HH2 ARG 31 2HH2 ARG 31 -11.653 2.238 -8.649 237 H HIS 32 H HIS 32 -14.806 -4.187 -1.828 238 HA HIS 32 HA HIS 32 -16.613 -5.416 -3.800 239 1HB HIS 32 1HB HIS 32 -14.585 -6.365 -1.780 240 2HB HIS 32 2HB HIS 32 -15.876 -7.461 -2.195 241 HD1 HIS 32 HD1 HIS 32 -15.033 -9.134 -3.880 242 HD2 HIS 32 HD2 HIS 32 -13.603 -5.223 -4.517 243 HE1 HIS 32 HE1 HIS 32 -13.565 -9.230 -5.979 244 H ARG 33 H ARG 33 -17.268 -3.778 -0.901 245 HA ARG 33 HA ARG 33 -19.736 -5.383 -0.556 246 1HB ARG 33 1HB ARG 33 -17.815 -4.761 1.731 247 2HB ARG 33 2HB ARG 33 -19.488 -5.275 1.912 248 1HG ARG 33 1HG ARG 33 -18.868 -7.348 0.502 249 2HG ARG 33 2HG ARG 33 -17.187 -6.869 0.761 250 1HD ARG 33 1HD ARG 33 -17.717 -8.467 2.455 251 2HD ARG 33 2HD ARG 33 -17.691 -6.895 3.270 252 HE ARG 33 HE ARG 33 -20.294 -7.844 2.234 253 1HH1 ARG 33 1HH1 ARG 33 -18.275 -7.738 5.198 254 2HH1 ARG 33 2HH1 ARG 33 -19.657 -7.807 6.215 255 1HH2 ARG 33 1HH2 ARG 33 -21.977 -8.038 3.560 256 2HH2 ARG 33 2HH2 ARG 33 -21.862 -7.920 5.298 257 H TYR 34 H TYR 34 -18.284 -2.684 1.319 258 HA TYR 34 HA TYR 34 -20.657 -1.246 1.660 259 1HB TYR 34 1HB TYR 34 -18.707 -0.851 3.031 260 2HB TYR 34 2HB TYR 34 -17.732 -0.449 1.625 261 HD1 TYR 34 HD1 TYR 34 -17.990 1.668 0.431 262 HD2 TYR 34 HD2 TYR 34 -20.128 0.876 4.094 263 HE1 TYR 34 HE1 TYR 34 -18.398 4.066 0.686 264 HE2 TYR 34 HE2 TYR 34 -20.516 3.305 4.394 265 HH TYR 34 HH TYR 34 -20.268 5.457 3.442 266 1HN NH2 35 1H NH2 35 -21.587 0.573 0.532 267 2HN NH2 35 2H NH2 35 -21.177 0.839 -1.159 268 2HN ZAB 10 H AZO 10 8.272 14.712 3.942 269 2HA ZAB 10 2HA AZO 10 9.229 12.670 2.509 270 3HA ZAB 10 3HA AZO 10 7.553 12.666 1.930 271 HG2 ZAB 10 HG2 AZO 10 6.964 14.025 0.114 272 HD2 ZAB 10 HD2 AZO 10 7.664 15.629 -1.628 273 HE ZAB 10 HE AZO 10 9.806 16.854 -1.407 274 HG1 ZAB 10 HG1 AZO 10 10.528 14.922 2.382 275 HJ2 ZAB 10 HJ2 AZO 10 14.195 17.270 -1.766 276 HK2 ZAB 10 HK2 AZO 10 15.284 15.696 -3.355 277 HL ZAB 10 HL AZO 10 14.748 13.289 -3.272 278 HJ1 ZAB 10 HJ1 AZO 10 11.958 14.017 -0.064 279 2HM ZAB 10 2HM AZO 10 14.064 11.600 -1.251 280 3HM ZAB 10 3HM AZO 10 12.440 11.868 -0.624 Start of MODEL 19 1 1H GLY 1 H GLY 1 24.405 3.996 -2.753 2 1HA GLY 1 1HA GLY 1 25.979 1.544 -3.296 3 2HA GLY 1 2HA GLY 1 26.465 2.780 -2.131 4 HA PRO 2 HA PRO 2 23.775 -0.528 -0.146 5 1HB PRO 2 1HB PRO 2 25.573 -1.499 1.682 6 2HB PRO 2 2HB PRO 2 25.431 -2.119 0.010 7 1HG PRO 2 1HG PRO 2 27.400 -0.090 1.111 8 2HG PRO 2 2HG PRO 2 27.740 -1.506 0.067 9 1HD PRO 2 1HD PRO 2 27.467 1.006 -0.945 10 2HD PRO 2 2HD PRO 2 26.867 -0.420 -1.840 11 H SER 3 H SER 3 25.792 2.154 1.066 12 HA SER 3 HA SER 3 24.661 2.123 3.696 13 1HB SER 3 1HB SER 3 26.880 3.162 3.013 14 2HB SER 3 2HB SER 3 25.952 4.482 2.282 15 HG SER 3 HG SER 3 26.199 5.208 4.284 16 H GLN 4 H GLN 4 22.610 2.576 4.150 17 HA GLN 4 HA GLN 4 21.235 4.805 2.777 18 1HB GLN 4 1HB GLN 4 20.280 1.917 2.907 19 2HB GLN 4 2HB GLN 4 19.124 3.238 2.870 20 1HG GLN 4 1HG GLN 4 21.241 2.723 0.757 21 2HG GLN 4 2HG GLN 4 19.517 2.397 0.615 22 1HE2 GLN 4 2HE2 GLN 4 18.292 4.723 1.633 23 2HE2 GLN 4 1HE2 GLN 4 18.851 6.140 0.800 24 HA PRO 5 HA PRO 5 20.838 4.707 7.420 25 1HB PRO 5 1HB PRO 5 22.044 7.070 8.034 26 2HB PRO 5 2HB PRO 5 22.984 5.568 7.747 27 1HG PRO 5 1HG PRO 5 22.406 7.806 5.813 28 2HG PRO 5 2HG PRO 5 23.995 7.066 6.180 29 1HD PRO 5 1HD PRO 5 22.488 6.308 4.027 30 2HD PRO 5 2HD PRO 5 23.476 5.141 4.953 31 H THR 6 H THR 6 19.370 6.226 8.648 32 HA THR 6 HA THR 6 18.056 8.367 7.146 33 HB THR 6 HB THR 6 16.681 5.824 7.964 34 HG1 THR 6 HG1 THR 6 17.715 6.297 5.789 35 1HG2 THR 6 1HG2 THR 6 15.134 7.546 8.658 36 2HG2 THR 6 2HG2 THR 6 14.547 6.714 7.233 37 3HG2 THR 6 3HG2 THR 6 15.258 8.334 7.070 38 H TYR 7 H TYR 7 16.809 9.633 8.506 39 HA TYR 7 HA TYR 7 17.958 10.066 11.118 40 1HB TYR 7 1HB TYR 7 15.771 11.335 9.499 41 2HB TYR 7 2HB TYR 7 15.688 11.581 11.222 42 HD1 TYR 7 HD1 TYR 7 18.294 11.748 8.493 43 HD2 TYR 7 HD2 TYR 7 16.732 13.491 12.117 44 HE1 TYR 7 HE1 TYR 7 20.025 13.491 8.397 45 HE2 TYR 7 HE2 TYR 7 18.469 15.232 12.030 46 HH TYR 7 HH TYR 7 20.437 15.932 11.005 47 HA PRO 8 HA PRO 8 15.250 7.516 13.517 48 1HB PRO 8 1HB PRO 8 15.378 8.582 16.009 49 2HB PRO 8 2HB PRO 8 16.838 7.990 15.183 50 1HG PRO 8 1HG PRO 8 15.831 10.852 15.284 51 2HG PRO 8 2HG PRO 8 17.466 10.245 15.703 52 1HD PRO 8 1HD PRO 8 16.885 11.245 13.232 53 2HD PRO 8 2HD PRO 8 18.026 9.884 13.454 54 H GLY 9 H GLY 9 13.977 10.080 12.126 55 1HA GLY 9 1HA GLY 9 11.458 9.854 12.093 56 2HA GLY 9 2HA GLY 9 11.558 10.417 13.778 57 HA PRO 11 HA PRO 11 12.079 11.270 0.799 58 1HB PRO 11 1HB PRO 11 11.628 8.599 0.473 59 2HB PRO 11 2HB PRO 11 13.221 9.228 1.004 60 1HG PRO 11 1HG PRO 11 10.997 8.116 2.733 61 2HG PRO 11 2HG PRO 11 12.746 7.716 2.765 62 1HD PRO 11 1HD PRO 11 11.558 9.551 4.453 63 2HD PRO 11 2HD PRO 11 13.255 9.716 3.918 64 H VAL 12 H VAL 12 10.342 10.663 -0.769 65 HA VAL 12 HA VAL 12 7.639 10.511 0.490 66 HB VAL 12 HB VAL 12 8.373 12.205 -1.909 67 1HG1 VAL 12 1HG1 VAL 12 6.140 13.195 -1.529 68 2HG1 VAL 12 2HG1 VAL 12 6.033 11.476 -1.911 69 3HG1 VAL 12 3HG1 VAL 12 5.853 12.008 -0.232 70 1HG2 VAL 12 1HG2 VAL 12 7.956 14.159 -0.356 71 2HG2 VAL 12 2HG2 VAL 12 7.902 13.025 1.003 72 3HG2 VAL 12 3HG2 VAL 12 9.401 13.248 0.083 73 H GLU 13 H GLU 13 9.794 9.437 -2.141 74 HA GLU 13 HA GLU 13 7.766 8.185 -3.683 75 1HB GLU 13 1HB GLU 13 9.507 7.148 -4.861 76 2HB GLU 13 2HB GLU 13 10.141 8.685 -4.333 77 1HG GLU 13 1HG GLU 13 11.943 7.346 -3.867 78 2HG GLU 13 2HG GLU 13 11.159 7.343 -2.298 79 H ASP 14 H ASP 14 9.553 7.148 -0.866 80 HA ASP 14 HA ASP 14 8.729 4.465 -0.611 81 1HB ASP 14 1HB ASP 14 10.602 5.559 0.623 82 2HB ASP 14 2HB ASP 14 9.461 6.566 1.477 83 H LEU 15 H LEU 15 7.403 7.498 0.607 84 HA LEU 15 HA LEU 15 5.295 6.585 2.181 85 1HB LEU 15 1HB LEU 15 6.452 8.978 1.622 86 2HB LEU 15 2HB LEU 15 5.086 9.107 0.523 87 HG LEU 15 HG LEU 15 4.561 10.208 2.467 88 1HD1 LEU 15 1HD1 LEU 15 3.081 7.571 2.743 89 2HD1 LEU 15 2HD1 LEU 15 2.696 8.825 1.548 90 3HD1 LEU 15 3HD1 LEU 15 2.533 9.149 3.300 91 1HD2 LEU 15 1HD2 LEU 15 6.102 9.486 4.082 92 2HD2 LEU 15 2HD2 LEU 15 5.557 7.806 4.004 93 3HD2 LEU 15 3HD2 LEU 15 4.520 9.024 4.741 94 H ILE 16 H ILE 16 5.362 7.512 -1.324 95 HA ILE 16 HA ILE 16 2.633 6.915 -1.773 96 HB ILE 16 HB ILE 16 4.897 6.736 -3.788 97 1HG1 ILE 16 1HG1 ILE 16 4.933 8.956 -2.870 98 2HG1 ILE 16 2HG1 ILE 16 4.248 9.029 -4.467 99 1HG2 ILE 16 1HG2 ILE 16 2.935 5.704 -4.769 100 2HG2 ILE 16 2HG2 ILE 16 1.887 7.012 -4.216 101 3HG2 ILE 16 3HG2 ILE 16 3.110 7.289 -5.480 102 1HD1 ILE 16 1HD1 ILE 16 2.691 9.175 -1.845 103 2HD1 ILE 16 2HD1 ILE 16 3.058 10.513 -2.937 104 3HD1 ILE 16 3HD1 ILE 16 1.960 9.232 -3.471 105 H ARG 17 H ARG 17 5.284 4.600 -1.314 106 HA ARG 17 HA ARG 17 3.700 2.442 -2.581 107 1HB ARG 17 1HB ARG 17 6.139 2.279 -0.707 108 2HB ARG 17 2HB ARG 17 5.464 0.930 -1.603 109 1HG ARG 17 1HG ARG 17 6.640 3.398 -2.956 110 2HG ARG 17 2HG ARG 17 7.584 1.981 -2.516 111 1HD ARG 17 1HD ARG 17 6.201 0.536 -3.937 112 2HD ARG 17 2HD ARG 17 5.139 1.904 -4.310 113 HE ARG 17 HE ARG 17 8.026 2.169 -4.953 114 1HH1 ARG 17 1HH1 ARG 17 4.828 1.360 -6.303 115 2HH1 ARG 17 2HH1 ARG 17 5.150 2.078 -7.840 116 1HH2 ARG 17 1HH2 ARG 17 8.531 2.848 -6.944 117 2HH2 ARG 17 2HH2 ARG 17 7.397 2.880 -8.272 118 H PHE 18 H PHE 18 4.640 3.254 0.760 119 HA PHE 18 HA PHE 18 2.989 1.293 1.957 120 1HB PHE 18 1HB PHE 18 4.875 2.801 2.880 121 2HB PHE 18 2HB PHE 18 3.654 4.042 3.061 122 HD1 PHE 18 HD1 PHE 18 2.129 3.967 4.967 123 HD2 PHE 18 HD2 PHE 18 4.734 0.635 4.117 124 HE1 PHE 18 HE1 PHE 18 1.733 3.069 7.238 125 HE2 PHE 18 HE2 PHE 18 4.282 -0.285 6.367 126 HZ PHE 18 HZ PHE 18 2.804 0.933 7.949 127 H TYR 19 H TYR 19 2.293 4.516 0.707 128 HA TYR 19 HA TYR 19 -0.315 4.786 1.946 129 1HB TYR 19 1HB TYR 19 1.134 6.655 0.955 130 2HB TYR 19 2HB TYR 19 0.561 6.181 -0.630 131 HD1 TYR 19 HD1 TYR 19 -2.235 5.904 -0.684 132 HD2 TYR 19 HD2 TYR 19 0.062 8.366 2.027 133 HE1 TYR 19 HE1 TYR 19 -4.281 7.111 -0.042 134 HE2 TYR 19 HE2 TYR 19 -1.951 9.686 2.524 135 HH TYR 19 HH TYR 19 -4.222 9.828 2.283 136 H ASN 20 H ASN 20 0.839 3.968 -1.301 137 HA ASN 20 HA ASN 20 -1.630 3.450 -2.551 138 1HB ASN 20 1HB ASN 20 0.477 3.684 -3.731 139 2HB ASN 20 2HB ASN 20 1.075 2.154 -3.051 140 1HD2 ASN 20 2HD2 ASN 20 0.207 0.135 -3.981 141 2HD2 ASN 20 1HD2 ASN 20 -0.487 0.303 -5.580 142 H ASP 21 H ASP 21 0.441 1.321 -0.550 143 HA ASP 21 HA ASP 21 -1.156 -1.036 -0.941 144 1HB ASP 21 1HB ASP 21 1.231 -1.020 -0.199 145 2HB ASP 21 2HB ASP 21 0.729 -0.331 1.351 146 H LEU 22 H LEU 22 -0.994 1.332 1.776 147 HA LEU 22 HA LEU 22 -3.015 0.266 3.380 148 1HB LEU 22 1HB LEU 22 -2.103 3.118 2.856 149 2HB LEU 22 2HB LEU 22 -3.419 2.795 3.966 150 HG LEU 22 HG LEU 22 -0.701 1.493 4.336 151 1HD1 LEU 22 1HD1 LEU 22 -1.746 4.119 5.495 152 2HD1 LEU 22 2HD1 LEU 22 -0.398 3.941 4.344 153 3HD1 LEU 22 3HD1 LEU 22 -0.256 3.302 5.983 154 1HD2 LEU 22 1HD2 LEU 22 -2.598 0.495 5.591 155 2HD2 LEU 22 2HD2 LEU 22 -2.985 2.087 6.275 156 3HD2 LEU 22 3HD2 LEU 22 -1.439 1.306 6.660 157 H GLN 23 H GLN 23 -3.393 2.682 0.724 158 HA GLN 23 HA GLN 23 -6.273 2.677 1.061 159 1HB GLN 23 1HB GLN 23 -6.455 4.098 -0.796 160 2HB GLN 23 2HB GLN 23 -5.055 4.600 0.136 161 1HG GLN 23 1HG GLN 23 -4.388 4.802 -2.091 162 2HG GLN 23 2HG GLN 23 -3.620 3.334 -1.531 163 1HE2 GLN 23 2HE2 GLN 23 -3.588 1.849 -3.157 164 2HE2 GLN 23 1HE2 GLN 23 -4.723 1.700 -4.467 165 H GLN 24 H GLN 24 -4.063 0.589 -0.819 166 HA GLN 24 HA GLN 24 -6.116 -0.385 -2.559 167 1HB GLN 24 1HB GLN 24 -3.657 -0.614 -2.937 168 2HB GLN 24 2HB GLN 24 -3.633 -1.909 -1.733 169 1HG GLN 24 1HG GLN 24 -5.080 -3.276 -3.108 170 2HG GLN 24 2HG GLN 24 -5.472 -1.915 -4.169 171 1HE2 GLN 24 2HE2 GLN 24 -3.311 -0.811 -5.172 172 2HE2 GLN 24 1HE2 GLN 24 -2.220 -1.969 -5.862 173 H TYR 25 H TYR 25 -4.889 -1.321 0.608 174 HA TYR 25 HA TYR 25 -6.591 -3.577 0.983 175 1HB TYR 25 1HB TYR 25 -4.562 -2.820 2.392 176 2HB TYR 25 2HB TYR 25 -5.666 -1.714 3.202 177 HD1 TYR 25 HD1 TYR 25 -6.647 -2.537 5.212 178 HD2 TYR 25 HD2 TYR 25 -5.437 -5.316 2.146 179 HE1 TYR 25 HE1 TYR 25 -7.454 -4.446 6.607 180 HE2 TYR 25 HE2 TYR 25 -6.234 -7.202 3.529 181 HH TYR 25 HH TYR 25 -7.463 -7.821 5.415 182 H LEU 26 H LEU 26 -7.311 -0.151 1.035 183 HA LEU 26 HA LEU 26 -9.947 -0.663 2.254 184 1HB LEU 26 1HB LEU 26 -8.580 1.926 1.403 185 2HB LEU 26 2HB LEU 26 -10.183 1.853 2.123 186 HG LEU 26 HG LEU 26 -7.660 0.888 3.528 187 1HD1 LEU 26 1HD1 LEU 26 -7.601 3.313 3.087 188 2HD1 LEU 26 2HD1 LEU 26 -7.820 2.971 4.810 189 3HD1 LEU 26 3HD1 LEU 26 -9.204 3.503 3.828 190 1HD2 LEU 26 1HD2 LEU 26 -9.096 1.036 5.568 191 2HD2 LEU 26 2HD2 LEU 26 -9.638 -0.198 4.437 192 3HD2 LEU 26 3HD2 LEU 26 -10.501 1.359 4.534 193 H ASN 27 H ASN 27 -8.590 -0.605 -0.777 194 HA ASN 27 HA ASN 27 -11.181 0.065 -2.067 195 1HB ASN 27 1HB ASN 27 -8.380 0.490 -2.832 196 2HB ASN 27 2HB ASN 27 -9.191 -0.462 -4.053 197 1HD2 ASN 27 2HD2 ASN 27 -8.279 2.552 -3.707 198 2HD2 ASN 27 1HD2 ASN 27 -9.685 3.391 -4.344 199 H VAL 28 H VAL 28 -9.112 -2.659 -1.466 200 HA VAL 28 HA VAL 28 -10.832 -4.262 -3.292 201 HB VAL 28 HB VAL 28 -8.260 -5.006 -1.853 202 1HG1 VAL 28 1HG1 VAL 28 -9.877 -6.407 -4.036 203 2HG1 VAL 28 2HG1 VAL 28 -8.197 -6.800 -3.704 204 3HG1 VAL 28 3HG1 VAL 28 -9.416 -7.045 -2.446 205 1HG2 VAL 28 1HG2 VAL 28 -8.781 -4.078 -4.699 206 2HG2 VAL 28 2HG2 VAL 28 -7.803 -3.222 -3.490 207 3HG2 VAL 28 3HG2 VAL 28 -7.225 -4.755 -4.143 208 H VAL 29 H VAL 29 -10.527 -3.555 0.017 209 HA VAL 29 HA VAL 29 -12.047 -6.048 0.712 210 HB VAL 29 HB VAL 29 -10.697 -4.067 2.544 211 1HG1 VAL 29 1HG1 VAL 29 -11.954 -6.780 3.085 212 2HG1 VAL 29 2HG1 VAL 29 -10.971 -5.858 4.250 213 3HG1 VAL 29 3HG1 VAL 29 -12.516 -5.208 3.698 214 1HG2 VAL 29 1HG2 VAL 29 -9.799 -6.768 1.470 215 2HG2 VAL 29 2HG2 VAL 29 -8.978 -5.217 1.261 216 3HG2 VAL 29 3HG2 VAL 29 -9.038 -5.958 2.860 217 H THR 30 H THR 30 -12.196 -2.582 1.509 218 HA THR 30 HA THR 30 -14.866 -2.805 2.453 219 HB THR 30 HB THR 30 -14.411 -0.155 1.505 220 HG1 THR 30 HG1 THR 30 -12.292 -0.162 1.705 221 1HG2 THR 30 1HG2 THR 30 -14.341 0.373 3.979 222 2HG2 THR 30 2HG2 THR 30 -14.544 -1.371 4.275 223 3HG2 THR 30 3HG2 THR 30 -15.782 -0.441 3.406 224 H ARG 31 H ARG 31 -13.658 -2.450 -0.859 225 HA ARG 31 HA ARG 31 -16.178 -1.660 -1.966 226 1HB ARG 31 1HB ARG 31 -13.888 -1.456 -2.994 227 2HB ARG 31 2HB ARG 31 -13.941 -3.192 -3.326 228 1HG ARG 31 1HG ARG 31 -14.481 -2.040 -5.345 229 2HG ARG 31 2HG ARG 31 -15.973 -2.765 -4.778 230 1HD ARG 31 1HD ARG 31 -16.409 -0.515 -5.569 231 2HD ARG 31 2HD ARG 31 -16.666 -0.563 -3.825 232 HE ARG 31 HE ARG 31 -14.152 0.404 -5.142 233 1HH1 ARG 31 1HH1 ARG 31 -16.843 1.224 -2.955 234 2HH1 ARG 31 2HH1 ARG 31 -16.007 2.564 -2.239 235 1HH2 ARG 31 1HH2 ARG 31 -12.977 2.028 -4.020 236 2HH2 ARG 31 2HH2 ARG 31 -13.872 3.175 -3.078 237 H HIS 32 H HIS 32 -15.200 -4.608 -0.582 238 HA HIS 32 HA HIS 32 -17.256 -6.162 -2.057 239 1HB HIS 32 1HB HIS 32 -14.640 -6.743 -1.821 240 2HB HIS 32 2HB HIS 32 -15.192 -7.469 -0.314 241 HD1 HIS 32 HD1 HIS 32 -17.955 -8.736 -1.384 242 HD2 HIS 32 HD2 HIS 32 -14.270 -8.693 -3.430 243 HE1 HIS 32 HE1 HIS 32 -18.086 -10.560 -3.144 244 H ARG 33 H ARG 33 -16.419 -4.925 1.126 245 HA ARG 33 HA ARG 33 -18.891 -6.261 2.167 246 1HB ARG 33 1HB ARG 33 -17.878 -6.835 4.212 247 2HB ARG 33 2HB ARG 33 -16.863 -7.455 2.916 248 1HG ARG 33 1HG ARG 33 -15.218 -5.657 3.283 249 2HG ARG 33 2HG ARG 33 -16.292 -4.870 4.431 250 1HD ARG 33 1HD ARG 33 -14.827 -5.912 5.845 251 2HD ARG 33 2HD ARG 33 -16.153 -7.064 5.813 252 HE ARG 33 HE ARG 33 -13.416 -7.346 4.790 253 1HH1 ARG 33 1HH1 ARG 33 -16.595 -8.954 5.038 254 2HH1 ARG 33 2HH1 ARG 33 -16.030 -10.401 4.292 255 1HH2 ARG 33 1HH2 ARG 33 -12.661 -9.319 4.191 256 2HH2 ARG 33 2HH2 ARG 33 -13.705 -10.673 3.918 257 H TYR 34 H TYR 34 -17.331 -3.153 1.858 258 HA TYR 34 HA TYR 34 -17.569 -1.253 2.796 259 1HB TYR 34 1HB TYR 34 -19.599 -1.664 1.321 260 2HB TYR 34 2HB TYR 34 -20.529 -1.708 2.806 261 HD1 TYR 34 HD1 TYR 34 -21.436 0.396 3.478 262 HD2 TYR 34 HD2 TYR 34 -17.754 0.343 1.213 263 HE1 TYR 34 HE1 TYR 34 -21.320 2.864 3.595 264 HE2 TYR 34 HE2 TYR 34 -17.618 2.794 1.356 265 HH TYR 34 HH TYR 34 -19.948 4.719 3.260 266 1HN NH2 35 1H NH2 35 -16.683 -2.734 4.887 267 2HN NH2 35 2H NH2 35 -17.405 -1.964 6.277 268 2HN ZAB 10 H AZO 10 10.528 11.703 11.261 269 2HA ZAB 10 2HA AZO 10 11.500 14.398 11.814 270 3HA ZAB 10 3HA AZO 10 12.020 13.789 10.241 271 HG2 ZAB 10 HG2 AZO 10 8.722 13.385 12.057 272 HD2 ZAB 10 HD2 AZO 10 6.583 14.175 11.076 273 HE ZAB 10 HE AZO 10 6.571 15.359 8.886 274 HG1 ZAB 10 HG1 AZO 10 10.833 14.943 8.642 275 HJ2 ZAB 10 HJ2 AZO 10 11.440 17.271 6.945 276 HK2 ZAB 10 HK2 AZO 10 13.733 16.373 6.384 277 HL ZAB 10 HL AZO 10 13.953 14.100 5.431 278 HJ1 ZAB 10 HJ1 AZO 10 9.657 13.663 5.464 279 2HM ZAB 10 2HM AZO 10 12.937 11.941 5.127 280 3HM ZAB 10 3HM AZO 10 11.212 11.703 5.431 Start of MODEL 20 1 1H GLY 1 H GLY 1 9.215 -15.953 -0.326 2 1HA GLY 1 1HA GLY 1 7.926 -17.544 1.027 3 2HA GLY 1 2HA GLY 1 9.431 -17.969 1.846 4 HA PRO 2 HA PRO 2 7.767 -14.734 4.539 5 1HB PRO 2 1HB PRO 2 9.488 -14.985 6.642 6 2HB PRO 2 2HB PRO 2 8.116 -16.096 6.328 7 1HG PRO 2 1HG PRO 2 11.028 -16.517 5.700 8 2HG PRO 2 2HG PRO 2 9.856 -17.674 6.370 9 1HD PRO 2 1HD PRO 2 10.535 -17.597 3.686 10 2HD PRO 2 2HD PRO 2 8.934 -18.132 4.268 11 H SER 3 H SER 3 8.196 -12.939 3.374 12 HA SER 3 HA SER 3 10.857 -12.018 2.701 13 1HB SER 3 1HB SER 3 8.245 -10.531 2.216 14 2HB SER 3 2HB SER 3 9.752 -10.479 1.290 15 HG SER 3 HG SER 3 9.338 -12.647 0.696 16 H GLN 4 H GLN 4 8.014 -10.363 4.041 17 HA GLN 4 HA GLN 4 7.902 -8.538 5.392 18 1HB GLN 4 1HB GLN 4 8.605 -10.856 7.239 19 2HB GLN 4 2HB GLN 4 7.789 -9.380 7.712 20 1HG GLN 4 1HG GLN 4 5.943 -10.651 7.367 21 2HG GLN 4 2HG GLN 4 6.103 -10.038 5.734 22 1HE2 GLN 4 2HE2 GLN 4 6.704 -12.785 7.889 23 2HE2 GLN 4 1HE2 GLN 4 6.561 -14.018 6.668 24 HA PRO 5 HA PRO 5 12.428 -7.611 6.022 25 1HB PRO 5 1HB PRO 5 12.768 -5.512 4.327 26 2HB PRO 5 2HB PRO 5 12.763 -7.197 3.730 27 1HG PRO 5 1HG PRO 5 10.445 -5.232 3.768 28 2HG PRO 5 2HG PRO 5 11.042 -6.205 2.385 29 1HD PRO 5 1HD PRO 5 8.946 -7.013 3.960 30 2HD PRO 5 2HD PRO 5 10.108 -8.176 3.250 31 H THR 6 H THR 6 13.294 -5.264 6.646 32 HA THR 6 HA THR 6 11.147 -3.689 7.953 33 HB THR 6 HB THR 6 12.298 -5.340 9.423 34 HG1 THR 6 HG1 THR 6 12.604 -2.910 10.682 35 1HG2 THR 6 1HG2 THR 6 14.570 -3.322 9.491 36 2HG2 THR 6 2HG2 THR 6 14.652 -4.931 8.740 37 3HG2 THR 6 3HG2 THR 6 14.407 -4.778 10.489 38 H TYR 7 H TYR 7 11.862 -1.611 8.584 39 HA TYR 7 HA TYR 7 13.922 -0.382 6.778 40 1HB TYR 7 1HB TYR 7 12.340 1.457 6.303 41 2HB TYR 7 2HB TYR 7 11.829 -0.084 5.672 42 HD1 TYR 7 HD1 TYR 7 10.899 2.744 7.720 43 HD2 TYR 7 HD2 TYR 7 9.944 -1.386 6.839 44 HE1 TYR 7 HE1 TYR 7 8.654 3.045 8.704 45 HE2 TYR 7 HE2 TYR 7 7.714 -1.088 7.811 46 HH TYR 7 HH TYR 7 6.266 0.372 8.929 47 HA PRO 8 HA PRO 8 15.197 1.666 10.465 48 1HB PRO 8 1HB PRO 8 16.224 4.084 9.602 49 2HB PRO 8 2HB PRO 8 16.965 2.491 9.280 50 1HG PRO 8 1HG PRO 8 15.097 4.071 7.471 51 2HG PRO 8 2HG PRO 8 16.698 3.360 7.064 52 1HD PRO 8 1HD PRO 8 14.427 2.042 6.478 53 2HD PRO 8 2HD PRO 8 15.834 1.150 7.124 54 H GLY 9 H GLY 9 12.267 2.269 9.504 55 1HA GLY 9 1HA GLY 9 10.519 3.241 10.665 56 2HA GLY 9 2HA GLY 9 11.648 4.236 11.581 57 HA PRO 11 HA PRO 11 13.243 7.946 -1.095 58 1HB PRO 11 1HB PRO 11 11.547 5.919 -0.381 59 2HB PRO 11 2HB PRO 11 13.308 5.915 -0.129 60 1HG PRO 11 1HG PRO 11 11.183 6.683 1.911 61 2HG PRO 11 2HG PRO 11 12.575 5.578 2.117 62 1HD PRO 11 1HD PRO 11 12.653 8.161 2.905 63 2HD PRO 11 2HD PRO 11 14.087 7.406 2.154 64 H VAL 12 H VAL 12 12.148 9.102 -2.482 65 HA VAL 12 HA VAL 12 9.676 10.490 -1.975 66 HB VAL 12 HB VAL 12 11.221 9.896 -4.551 67 1HG1 VAL 12 1HG1 VAL 12 8.933 10.698 -5.053 68 2HG1 VAL 12 2HG1 VAL 12 9.192 12.094 -3.979 69 3HG1 VAL 12 3HG1 VAL 12 10.142 11.912 -5.469 70 1HG2 VAL 12 1HG2 VAL 12 12.644 11.116 -2.930 71 2HG2 VAL 12 2HG2 VAL 12 12.183 12.160 -4.261 72 3HG2 VAL 12 3HG2 VAL 12 11.352 12.320 -2.706 73 H GLU 13 H GLU 13 10.600 7.381 -3.417 74 HA GLU 13 HA GLU 13 7.960 6.808 -4.517 75 1HB GLU 13 1HB GLU 13 10.468 5.141 -4.122 76 2HB GLU 13 2HB GLU 13 9.004 4.602 -4.960 77 1HG GLU 13 1HG GLU 13 9.223 6.487 -6.577 78 2HG GLU 13 2HG GLU 13 10.692 7.030 -5.770 79 H ASP 14 H ASP 14 9.803 5.678 -1.639 80 HA ASP 14 HA ASP 14 7.971 3.762 -0.747 81 1HB ASP 14 1HB ASP 14 10.204 4.133 0.246 82 2HB ASP 14 2HB ASP 14 9.626 5.672 0.887 83 H LEU 15 H LEU 15 7.933 7.255 -0.291 84 HA LEU 15 HA LEU 15 5.893 7.378 1.636 85 1HB LEU 15 1HB LEU 15 7.374 9.242 -0.056 86 2HB LEU 15 2HB LEU 15 5.692 9.715 0.026 87 HG LEU 15 HG LEU 15 7.420 9.086 2.464 88 1HD1 LEU 15 1HD1 LEU 15 7.559 11.499 2.820 89 2HD1 LEU 15 2HD1 LEU 15 6.607 11.797 1.343 90 3HD1 LEU 15 3HD1 LEU 15 8.228 11.064 1.235 91 1HD2 LEU 15 1HD2 LEU 15 5.652 10.270 3.748 92 2HD2 LEU 15 2HD2 LEU 15 5.013 8.836 2.979 93 3HD2 LEU 15 3HD2 LEU 15 4.674 10.424 2.271 94 H ILE 16 H ILE 16 5.746 6.860 -1.825 95 HA ILE 16 HA ILE 16 2.821 7.218 -1.954 96 HB ILE 16 HB ILE 16 4.778 6.372 -4.127 97 1HG1 ILE 16 1HG1 ILE 16 5.477 8.557 -3.543 98 2HG1 ILE 16 2HG1 ILE 16 4.581 8.643 -5.049 99 1HG2 ILE 16 1HG2 ILE 16 2.501 5.693 -4.656 100 2HG2 ILE 16 2HG2 ILE 16 1.882 7.312 -4.266 101 3HG2 ILE 16 3HG2 ILE 16 2.943 7.069 -5.668 102 1HD1 ILE 16 1HD1 ILE 16 2.590 9.500 -3.740 103 2HD1 ILE 16 2HD1 ILE 16 3.644 9.529 -2.300 104 3HD1 ILE 16 3HD1 ILE 16 4.020 10.550 -3.691 105 H ARG 17 H ARG 17 5.345 4.667 -2.296 106 HA ARG 17 HA ARG 17 3.582 2.583 -2.889 107 1HB ARG 17 1HB ARG 17 6.219 2.456 -1.348 108 2HB ARG 17 2HB ARG 17 5.394 1.032 -1.938 109 1HG ARG 17 1HG ARG 17 6.427 3.203 -3.804 110 2HG ARG 17 2HG ARG 17 7.388 1.831 -3.251 111 1HD ARG 17 1HD ARG 17 5.573 0.310 -4.207 112 2HD ARG 17 2HD ARG 17 4.882 1.757 -4.956 113 HE ARG 17 HE ARG 17 7.692 0.796 -5.404 114 1HH1 ARG 17 1HH1 ARG 17 4.567 1.352 -6.867 115 2HH1 ARG 17 2HH1 ARG 17 5.140 1.598 -8.461 116 1HH2 ARG 17 1HH2 ARG 17 8.573 1.133 -7.493 117 2HH2 ARG 17 2HH2 ARG 17 7.526 1.381 -8.841 118 H PHE 18 H PHE 18 4.721 3.420 0.420 119 HA PHE 18 HA PHE 18 3.130 1.323 1.570 120 1HB PHE 18 1HB PHE 18 4.991 2.381 2.734 121 2HB PHE 18 2HB PHE 18 4.185 3.929 2.691 122 HD1 PHE 18 HD1 PHE 18 4.207 4.412 5.016 123 HD2 PHE 18 HD2 PHE 18 2.525 0.663 3.655 124 HE1 PHE 18 HE1 PHE 18 3.260 4.003 7.263 125 HE2 PHE 18 HE2 PHE 18 1.565 0.292 5.885 126 HZ PHE 18 HZ PHE 18 1.913 1.985 7.701 127 H TYR 19 H TYR 19 2.348 4.622 0.489 128 HA TYR 19 HA TYR 19 -0.187 4.689 1.877 129 1HB TYR 19 1HB TYR 19 1.319 6.527 0.376 130 2HB TYR 19 2HB TYR 19 -0.145 6.331 -0.557 131 HD1 TYR 19 HD1 TYR 19 -2.357 6.119 1.253 132 HD2 TYR 19 HD2 TYR 19 1.279 8.404 1.741 133 HE1 TYR 19 HE1 TYR 19 -3.512 7.614 2.849 134 HE2 TYR 19 HE2 TYR 19 0.130 9.918 3.290 135 HH TYR 19 HH TYR 19 -3.090 9.316 4.608 136 H ASN 20 H ASN 20 0.850 3.852 -1.352 137 HA ASN 20 HA ASN 20 -1.612 3.271 -2.642 138 1HB ASN 20 1HB ASN 20 0.440 3.585 -3.853 139 2HB ASN 20 2HB ASN 20 1.227 2.255 -3.022 140 1HD2 ASN 20 2HD2 ASN 20 1.077 0.149 -3.880 141 2HD2 ASN 20 1HD2 ASN 20 0.127 -0.119 -5.332 142 H ASP 21 H ASP 21 0.383 1.464 -0.374 143 HA ASP 21 HA ASP 21 -0.933 -1.095 -0.857 144 1HB ASP 21 1HB ASP 21 1.440 -0.883 0.024 145 2HB ASP 21 2HB ASP 21 0.777 -0.315 1.552 146 H LEU 22 H LEU 22 -0.906 1.318 1.805 147 HA LEU 22 HA LEU 22 -2.882 0.166 3.427 148 1HB LEU 22 1HB LEU 22 -2.153 3.092 2.944 149 2HB LEU 22 2HB LEU 22 -3.278 2.574 4.193 150 HG LEU 22 HG LEU 22 -0.361 1.729 4.064 151 1HD1 LEU 22 1HD1 LEU 22 -1.792 3.784 5.807 152 2HD1 LEU 22 2HD1 LEU 22 -0.624 4.137 4.515 153 3HD1 LEU 22 3HD1 LEU 22 -0.090 3.294 5.966 154 1HD2 LEU 22 1HD2 LEU 22 -0.730 0.981 6.360 155 2HD2 LEU 22 2HD2 LEU 22 -1.665 0.042 5.212 156 3HD2 LEU 22 3HD2 LEU 22 -2.482 1.287 6.189 157 H GLN 23 H GLN 23 -3.283 2.666 0.880 158 HA GLN 23 HA GLN 23 -6.077 2.807 1.210 159 1HB GLN 23 1HB GLN 23 -6.181 4.048 -0.829 160 2HB GLN 23 2HB GLN 23 -4.694 4.504 0.012 161 1HG GLN 23 1HG GLN 23 -3.449 2.900 -1.487 162 2HG GLN 23 2HG GLN 23 -4.932 2.614 -2.376 163 1HE2 GLN 23 2HE2 GLN 23 -5.647 4.154 -3.868 164 2HE2 GLN 23 1HE2 GLN 23 -4.832 5.705 -4.143 165 H GLN 24 H GLN 24 -4.145 0.435 -0.700 166 HA GLN 24 HA GLN 24 -6.282 -0.509 -2.275 167 1HB GLN 24 1HB GLN 24 -3.457 -1.079 -1.660 168 2HB GLN 24 2HB GLN 24 -4.364 -2.539 -1.677 169 1HG GLN 24 1HG GLN 24 -5.220 -2.030 -3.946 170 2HG GLN 24 2HG GLN 24 -4.311 -0.505 -3.943 171 1HE2 GLN 24 2HE2 GLN 24 -1.900 -0.816 -3.290 172 2HE2 GLN 24 1HE2 GLN 24 -1.066 -2.264 -3.820 173 H TYR 25 H TYR 25 -4.830 -1.466 0.799 174 HA TYR 25 HA TYR 25 -6.594 -3.646 1.358 175 1HB TYR 25 1HB TYR 25 -4.331 -3.265 2.370 176 2HB TYR 25 2HB TYR 25 -4.994 -1.926 3.296 177 HD1 TYR 25 HD1 TYR 25 -5.536 -2.401 5.520 178 HD2 TYR 25 HD2 TYR 25 -5.756 -5.579 2.608 179 HE1 TYR 25 HE1 TYR 25 -6.225 -3.959 7.294 180 HE2 TYR 25 HE2 TYR 25 -6.475 -7.160 4.392 181 HH TYR 25 HH TYR 25 -6.436 -6.322 7.790 182 H LEU 26 H LEU 26 -7.381 -0.431 1.118 183 HA LEU 26 HA LEU 26 -9.789 -0.817 2.790 184 1HB LEU 26 1HB LEU 26 -8.219 1.740 2.243 185 2HB LEU 26 2HB LEU 26 -9.745 1.665 3.143 186 HG LEU 26 HG LEU 26 -7.208 0.221 4.020 187 1HD1 LEU 26 1HD1 LEU 26 -6.771 2.624 4.005 188 2HD1 LEU 26 2HD1 LEU 26 -6.947 2.031 5.668 189 3HD1 LEU 26 3HD1 LEU 26 -8.275 2.932 4.909 190 1HD2 LEU 26 1HD2 LEU 26 -8.385 0.196 6.219 191 2HD2 LEU 26 2HD2 LEU 26 -9.232 -0.738 4.978 192 3HD2 LEU 26 3HD2 LEU 26 -9.812 0.878 5.432 193 H ASN 27 H ASN 27 -8.719 -0.609 -0.316 194 HA ASN 27 HA ASN 27 -11.322 0.418 -1.295 195 1HB ASN 27 1HB ASN 27 -8.522 0.668 -2.283 196 2HB ASN 27 2HB ASN 27 -9.559 -0.011 -3.493 197 1HD2 ASN 27 2HD2 ASN 27 -8.228 2.692 -3.387 198 2HD2 ASN 27 1HD2 ASN 27 -9.582 3.774 -3.626 199 H VAL 28 H VAL 28 -9.226 -2.347 -1.208 200 HA VAL 28 HA VAL 28 -10.891 -3.782 -3.219 201 HB VAL 28 HB VAL 28 -8.472 -4.662 -1.584 202 1HG1 VAL 28 1HG1 VAL 28 -9.932 -6.031 -3.894 203 2HG1 VAL 28 2HG1 VAL 28 -8.358 -6.543 -3.253 204 3HG1 VAL 28 3HG1 VAL 28 -9.785 -6.624 -2.229 205 1HG2 VAL 28 1HG2 VAL 28 -8.646 -3.893 -4.534 206 2HG2 VAL 28 2HG2 VAL 28 -7.891 -2.906 -3.269 207 3HG2 VAL 28 3HG2 VAL 28 -7.205 -4.473 -3.678 208 H VAL 29 H VAL 29 -10.339 -3.407 0.223 209 HA VAL 29 HA VAL 29 -11.762 -5.722 1.059 210 HB VAL 29 HB VAL 29 -10.853 -3.177 2.418 211 1HG1 VAL 29 1HG1 VAL 29 -11.462 -4.135 4.598 212 2HG1 VAL 29 2HG1 VAL 29 -12.915 -3.819 3.660 213 3HG1 VAL 29 3HG1 VAL 29 -12.296 -5.484 3.797 214 1HG2 VAL 29 1HG2 VAL 29 -9.384 -4.807 3.607 215 2HG2 VAL 29 2HG2 VAL 29 -10.138 -6.133 2.720 216 3HG2 VAL 29 3HG2 VAL 29 -9.182 -4.904 1.848 217 H THR 30 H THR 30 -12.789 -2.315 1.094 218 HA THR 30 HA THR 30 -15.467 -2.795 1.691 219 HB THR 30 HB THR 30 -15.671 -0.461 0.863 220 HG1 THR 30 HG1 THR 30 -13.109 0.196 0.677 221 1HG2 THR 30 1HG2 THR 30 -14.212 0.551 2.627 222 2HG2 THR 30 2HG2 THR 30 -13.311 -0.970 2.768 223 3HG2 THR 30 3HG2 THR 30 -15.030 -0.907 3.224 224 H ARG 31 H ARG 31 -13.880 -2.372 -1.464 225 HA ARG 31 HA ARG 31 -16.263 -2.388 -2.967 226 1HB ARG 31 1HB ARG 31 -14.049 -1.639 -3.683 227 2HB ARG 31 2HB ARG 31 -13.497 -3.322 -3.836 228 1HG ARG 31 1HG ARG 31 -14.991 -3.636 -5.750 229 2HG ARG 31 2HG ARG 31 -15.776 -2.075 -5.428 230 1HD ARG 31 1HD ARG 31 -14.204 -1.708 -7.217 231 2HD ARG 31 2HD ARG 31 -13.581 -0.922 -5.775 232 HE ARG 31 HE ARG 31 -12.698 -3.657 -6.581 233 1HH1 ARG 31 1HH1 ARG 31 -11.767 -0.234 -6.105 234 2HH1 ARG 31 2HH1 ARG 31 -10.100 -0.534 -6.456 235 1HH2 ARG 31 1HH2 ARG 31 -10.408 -4.050 -6.658 236 2HH2 ARG 31 2HH2 ARG 31 -9.313 -2.701 -6.676 237 H HIS 32 H HIS 32 -14.917 -5.052 -1.325 238 HA HIS 32 HA HIS 32 -16.633 -6.952 -2.825 239 1HB HIS 32 1HB HIS 32 -13.946 -7.250 -1.467 240 2HB HIS 32 2HB HIS 32 -15.008 -8.626 -1.709 241 HD1 HIS 32 HD1 HIS 32 -15.661 -9.251 -4.309 242 HD2 HIS 32 HD2 HIS 32 -12.742 -6.256 -3.707 243 HE1 HIS 32 HE1 HIS 32 -14.584 -8.826 -6.565 244 H ARG 33 H ARG 33 -16.704 -5.117 -0.050 245 HA ARG 33 HA ARG 33 -18.355 -7.192 1.314 246 1HB ARG 33 1HB ARG 33 -16.182 -6.837 2.452 247 2HB ARG 33 2HB ARG 33 -16.566 -5.131 2.654 248 1HG ARG 33 1HG ARG 33 -16.951 -6.467 4.710 249 2HG ARG 33 2HG ARG 33 -18.391 -5.638 4.160 250 1HD ARG 33 1HD ARG 33 -18.894 -7.922 4.933 251 2HD ARG 33 2HD ARG 33 -19.303 -7.712 3.239 252 HE ARG 33 HE ARG 33 -16.696 -8.909 4.068 253 1HH1 ARG 33 1HH1 ARG 33 -19.902 -9.410 2.497 254 2HH1 ARG 33 2HH1 ARG 33 -19.473 -10.966 1.913 255 1HH2 ARG 33 1HH2 ARG 33 -16.248 -11.083 3.335 256 2HH2 ARG 33 2HH2 ARG 33 -17.506 -11.942 2.494 257 H TYR 34 H TYR 34 -18.162 -3.786 0.268 258 HA TYR 34 HA TYR 34 -20.821 -3.272 1.451 259 1HB TYR 34 1HB TYR 34 -18.712 -1.835 1.888 260 2HB TYR 34 2HB TYR 34 -18.869 -1.313 0.212 261 HD1 TYR 34 HD1 TYR 34 -20.461 0.424 -0.353 262 HD2 TYR 34 HD2 TYR 34 -20.564 -1.433 3.539 263 HE1 TYR 34 HE1 TYR 34 -21.938 2.222 0.456 264 HE2 TYR 34 HE2 TYR 34 -22.063 0.365 4.357 265 HH TYR 34 HH TYR 34 -23.498 2.814 2.270 266 1HN NH2 35 1H NH2 35 -19.718 -4.684 -1.329 267 2HN NH2 35 2H NH2 35 -20.708 -3.905 -2.520 268 2HN ZAB 10 H AZO 10 12.748 4.877 8.668 269 2HA ZAB 10 2HA AZO 10 10.757 6.390 7.281 270 3HA ZAB 10 3HA AZO 10 11.727 7.447 8.346 271 HG2 ZAB 10 HG2 AZO 10 11.908 4.903 5.600 272 HD2 ZAB 10 HD2 AZO 10 13.806 4.746 4.017 273 HE ZAB 10 HE AZO 10 15.795 6.203 4.306 274 HG1 ZAB 10 HG1 AZO 10 14.016 7.927 7.834 275 HJ2 ZAB 10 HJ2 AZO 10 18.549 8.197 3.564 276 HK2 ZAB 10 HK2 AZO 10 18.201 8.831 1.201 277 HL ZAB 10 HL AZO 10 16.108 9.948 0.494 278 HJ1 ZAB 10 HJ1 AZO 10 14.611 9.648 4.540 279 2HM ZAB 10 2HM AZO 10 13.204 10.442 2.915 280 3HM ZAB 10 3HM AZO 10 14.077 11.593 1.896
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