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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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653882 |
7atb ![]() ![]() |
34569 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 28 HT1 ARG 28 22.840 7.725 0.456 2 H2 ARG 28 HT2 ARG 28 23.549 6.551 1.447 3 H3 ARG 28 HT3 ARG 28 24.045 8.164 1.560 4 HA ARG 28 HA ARG 28 22.629 7.597 3.407 5 HB2 ARG 28 HB2 ARG 28 22.580 9.890 2.480 6 HB3 ARG 28 HB1 ARG 28 21.260 9.420 1.417 7 HG2 ARG 28 HG2 ARG 28 20.349 10.602 3.279 8 HG3 ARG 28 HG1 ARG 28 19.897 8.903 3.428 9 HD2 ARG 28 HD2 ARG 28 20.596 9.802 5.579 10 HD3 ARG 28 HD1 ARG 28 21.720 8.561 5.025 11 HE ARG 28 HE ARG 28 22.692 11.035 4.180 12 HH11 ARG 28 HH11 ARG 28 22.119 9.314 7.156 13 HH12 ARG 28 HH12 ARG 28 23.388 10.121 8.016 14 HH21 ARG 28 HH21 ARG 28 24.362 12.100 5.303 15 HH22 ARG 28 HH22 ARG 28 24.663 11.704 6.962 16 H ARG 29 HN ARG 29 20.717 7.555 0.396 17 HA ARG 29 HA ARG 29 18.483 6.265 1.514 18 HB2 ARG 29 HB2 ARG 29 19.432 6.361 -1.353 19 HB3 ARG 29 HB1 ARG 29 17.846 5.802 -0.844 20 HG2 ARG 29 HG2 ARG 29 17.349 8.015 0.057 21 HG3 ARG 29 HG1 ARG 29 18.945 8.578 -0.447 22 HD2 ARG 29 HD2 ARG 29 18.379 8.128 -2.775 23 HD3 ARG 29 HD1 ARG 29 16.797 7.523 -2.285 24 HE ARG 29 HE ARG 29 17.090 10.127 -1.304 25 HH11 ARG 29 HH11 ARG 29 16.783 8.458 -4.345 26 HH12 ARG 29 HH12 ARG 29 16.023 9.791 -5.148 27 HH21 ARG 29 HH21 ARG 29 16.094 11.889 -2.350 28 HH22 ARG 29 HH22 ARG 29 15.631 11.743 -4.013 29 H CYS 30 HN CYS 30 18.170 4.227 2.099 30 HA CYS 30 HA CYS 30 20.184 2.230 1.422 31 HB2 CYS 30 HB2 CYS 30 17.864 2.125 3.362 32 HB3 CYS 30 HB1 CYS 30 19.056 0.848 3.143 33 HG CYS 30 HG CYS 30 19.222 3.586 4.996 34 H LEU 31 HN LEU 31 19.881 1.124 -0.389 35 HA LEU 31 HA LEU 31 17.482 0.927 -1.807 36 HB2 LEU 31 HB2 LEU 31 18.582 -0.688 -3.203 37 HB3 LEU 31 HB1 LEU 31 19.721 0.578 -2.789 38 HG LEU 31 HG LEU 31 19.651 -2.019 -1.273 39 HD11 LEU 31 HD11 LEU 31 21.448 -2.813 -2.736 40 HD12 LEU 31 HD12 LEU 31 21.230 -1.398 -3.766 41 HD13 LEU 31 HD13 LEU 31 19.938 -2.590 -3.618 42 HD21 LEU 31 HD21 LEU 31 22.021 -1.413 -0.859 43 HD22 LEU 31 HD22 LEU 31 20.874 -0.244 -0.205 44 HD23 LEU 31 HD23 LEU 31 21.741 0.113 -1.698 45 H PHE 32 HN PHE 32 18.738 -0.981 0.808 46 HA PHE 32 HA PHE 32 17.018 -3.232 0.384 47 HB2 PHE 32 HB2 PHE 32 18.653 -2.373 2.777 48 HB3 PHE 32 HB1 PHE 32 17.750 -3.882 2.694 49 HD1 PHE 32 HD1 PHE 32 18.413 -5.633 1.093 50 HD2 PHE 32 HD2 PHE 32 20.735 -2.113 1.663 51 HE1 PHE 32 HE1 PHE 32 20.331 -6.727 0.007 52 HE2 PHE 32 HE2 PHE 32 22.657 -3.199 0.578 53 HZ PHE 32 HZ PHE 32 22.457 -5.510 -0.252 54 H LEU 33 HN LEU 33 17.013 -0.491 2.651 55 HA LEU 33 HA LEU 33 14.601 -1.212 3.941 56 HB2 LEU 33 HB2 LEU 33 15.932 1.477 3.680 57 HB3 LEU 33 HB1 LEU 33 14.601 1.120 4.763 58 HG LEU 33 HG LEU 33 17.393 -0.018 4.900 59 HD11 LEU 33 HD11 LEU 33 17.432 1.122 7.069 60 HD12 LEU 33 HD12 LEU 33 15.833 1.784 6.734 61 HD13 LEU 33 HD13 LEU 33 17.205 2.246 5.730 62 HD21 LEU 33 HD21 LEU 33 16.621 -1.156 6.945 63 HD22 LEU 33 HD22 LEU 33 15.811 -1.756 5.498 64 HD23 LEU 33 HD23 LEU 33 14.970 -0.650 6.584 65 H SER 34 HN SER 34 15.319 0.582 1.038 66 HA SER 34 HA SER 34 12.800 1.836 0.721 67 HB2 SER 34 HB2 SER 34 14.855 1.060 -1.366 68 HB3 SER 34 HB1 SER 34 13.493 2.147 -1.638 69 HG SER 34 HG SER 34 15.504 3.217 -1.144 70 H LEU 35 HN LEU 35 14.126 -1.245 -0.373 71 HA LEU 35 HA LEU 35 11.997 -2.044 -2.014 72 HB2 LEU 35 HB2 LEU 35 14.292 -3.092 -1.825 73 HB3 LEU 35 HB1 LEU 35 13.749 -3.851 -0.345 74 HG LEU 35 HG LEU 35 13.736 -5.265 -2.464 75 HD11 LEU 35 HD11 LEU 35 11.092 -5.094 -1.046 76 HD12 LEU 35 HD12 LEU 35 12.543 -5.784 -0.321 77 HD13 LEU 35 HD13 LEU 35 11.850 -6.512 -1.769 78 HD21 LEU 35 HD21 LEU 35 11.800 -5.067 -3.914 79 HD22 LEU 35 HD22 LEU 35 12.753 -3.584 -3.951 80 HD23 LEU 35 HD23 LEU 35 11.254 -3.647 -3.024 81 H PHE 36 HN PHE 36 12.499 -2.250 1.453 82 HA PHE 36 HA PHE 36 10.226 -3.914 1.948 83 HB2 PHE 36 HB2 PHE 36 12.213 -3.743 3.466 84 HB3 PHE 36 HB1 PHE 36 11.686 -2.120 3.896 85 HD1 PHE 36 HD1 PHE 36 10.776 -5.692 4.040 86 HD2 PHE 36 HD2 PHE 36 9.982 -1.771 5.488 87 HE1 PHE 36 HE1 PHE 36 9.335 -6.638 5.796 88 HE2 PHE 36 HE2 PHE 36 8.540 -2.709 7.247 89 HZ PHE 36 HZ PHE 36 8.215 -5.144 7.402 90 H SER 37 HN SER 37 10.701 -0.576 1.361 91 HA SER 37 HA SER 37 8.391 0.382 2.755 92 HB2 SER 37 HB2 SER 37 10.017 1.668 0.548 93 HB3 SER 37 HB1 SER 37 8.800 2.486 1.527 94 HG SER 37 HG SER 37 10.411 2.869 2.817 95 H PHE 38 HN PHE 38 9.080 -0.682 -0.530 96 HA PHE 38 HA PHE 38 6.677 0.190 -1.720 97 HB2 PHE 38 HB2 PHE 38 8.468 -2.127 -2.450 98 HB3 PHE 38 HB1 PHE 38 7.178 -1.502 -3.470 99 HD1 PHE 38 HD1 PHE 38 7.338 1.122 -3.897 100 HD2 PHE 38 HD2 PHE 38 10.600 -1.410 -2.874 101 HE1 PHE 38 HE1 PHE 38 8.901 2.740 -4.891 102 HE2 PHE 38 HE2 PHE 38 12.170 0.205 -3.861 103 HZ PHE 38 HZ PHE 38 11.321 2.284 -4.873 104 H LEU 39 HN LEU 39 7.459 -2.545 0.267 105 HA LEU 39 HA LEU 39 5.147 -4.083 -0.420 106 HB2 LEU 39 HB2 LEU 39 7.321 -4.959 0.564 107 HB3 LEU 39 HB1 LEU 39 6.778 -4.321 2.104 108 HG LEU 39 HG LEU 39 4.983 -6.172 0.618 109 HD11 LEU 39 HD11 LEU 39 7.382 -7.046 2.222 110 HD12 LEU 39 HD12 LEU 39 7.131 -7.294 0.495 111 HD13 LEU 39 HD13 LEU 39 6.086 -8.103 1.662 112 HD21 LEU 39 HD21 LEU 39 4.383 -6.855 2.895 113 HD22 LEU 39 HD22 LEU 39 4.201 -5.116 2.669 114 HD23 LEU 39 HD23 LEU 39 5.596 -5.749 3.541 115 H ILE 40 HN ILE 40 5.933 -1.636 1.941 116 HA ILE 40 HA ILE 40 3.548 -2.011 3.498 117 HB ILE 40 HB ILE 40 5.462 0.328 3.448 118 HG12 ILE 40 HG12 ILE 40 5.300 -1.988 5.389 119 HG13 ILE 40 HG11 ILE 40 6.479 -1.862 4.087 120 HG21 ILE 40 HG21 ILE 40 4.497 0.878 5.642 121 HG22 ILE 40 HG22 ILE 40 3.330 -0.428 5.444 122 HG23 ILE 40 HG23 ILE 40 3.298 0.956 4.351 123 HD11 ILE 40 HD11 ILE 40 7.397 0.149 5.105 124 HD12 ILE 40 HD12 ILE 40 7.430 -1.211 6.228 125 HD13 ILE 40 HD13 ILE 40 6.203 0.046 6.399 126 H VAL 41 HN VAL 41 4.610 0.159 0.920 127 HA VAL 41 HA VAL 41 2.366 1.878 1.006 128 HB VAL 41 HB VAL 41 4.588 2.343 -0.134 129 HG11 VAL 41 HG11 VAL 41 3.300 0.731 -2.324 130 HG12 VAL 41 HG12 VAL 41 4.750 0.301 -1.421 131 HG13 VAL 41 HG13 VAL 41 4.763 1.704 -2.487 132 HG21 VAL 41 HG21 VAL 41 2.014 2.877 -1.614 133 HG22 VAL 41 HG22 VAL 41 3.535 3.726 -1.892 134 HG23 VAL 41 HG23 VAL 41 2.722 3.862 -0.333 135 H LEU 42 HN LEU 42 2.966 -1.201 -0.522 136 HA LEU 42 HA LEU 42 0.618 -1.066 -2.194 137 HB2 LEU 42 HB2 LEU 42 2.736 -2.337 -2.747 138 HB3 LEU 42 HB1 LEU 42 2.260 -3.504 -1.519 139 HG LEU 42 HG LEU 42 0.375 -2.863 -3.758 140 HD11 LEU 42 HD11 LEU 42 2.675 -4.806 -3.905 141 HD12 LEU 42 HD12 LEU 42 2.493 -3.331 -4.855 142 HD13 LEU 42 HD13 LEU 42 1.365 -4.668 -5.078 143 HD21 LEU 42 HD21 LEU 42 -0.454 -4.217 -1.926 144 HD22 LEU 42 HD22 LEU 42 0.910 -5.322 -2.094 145 HD23 LEU 42 HD23 LEU 42 -0.292 -5.204 -3.378 146 H LEU 43 HN LEU 43 1.593 -2.807 0.742 147 HA LEU 43 HA LEU 43 -0.740 -4.280 1.130 148 HB2 LEU 43 HB2 LEU 43 1.334 -4.648 2.385 149 HB3 LEU 43 HB1 LEU 43 1.115 -3.115 3.208 150 HG LEU 43 HG LEU 43 -1.007 -4.020 4.185 151 HD11 LEU 43 HD11 LEU 43 -1.355 -6.435 4.146 152 HD12 LEU 43 HD12 LEU 43 -0.002 -6.617 3.029 153 HD13 LEU 43 HD13 LEU 43 -1.451 -5.747 2.525 154 HD21 LEU 43 HD21 LEU 43 0.117 -5.426 5.845 155 HD22 LEU 43 HD22 LEU 43 1.058 -3.983 5.468 156 HD23 LEU 43 HD23 LEU 43 1.525 -5.542 4.788 157 H LEU 44 HN LEU 44 -0.026 -0.926 1.816 158 HA LEU 44 HA LEU 44 -2.351 -0.503 3.443 159 HB2 LEU 44 HB2 LEU 44 -0.407 1.385 2.129 160 HB3 LEU 44 HB1 LEU 44 -1.773 1.937 3.080 161 HG LEU 44 HG LEU 44 0.466 0.200 4.125 162 HD11 LEU 44 HD11 LEU 44 1.175 2.209 5.328 163 HD12 LEU 44 HD12 LEU 44 -0.073 3.141 4.500 164 HD13 LEU 44 HD13 LEU 44 1.256 2.433 3.581 165 HD21 LEU 44 HD21 LEU 44 -1.808 1.581 5.547 166 HD22 LEU 44 HD22 LEU 44 -0.494 0.693 6.319 167 HD23 LEU 44 HD23 LEU 44 -1.648 -0.157 5.292 168 H THR 45 HN THR 45 -1.452 0.299 0.095 169 HA THR 45 HA THR 45 -3.810 1.633 -0.599 170 HB THR 45 HB THR 45 -3.232 0.853 -2.980 171 HG1 THR 45 HG1 THR 45 -0.671 0.301 -2.364 172 HG21 THR 45 HG21 THR 45 -1.177 2.367 -1.365 173 HG22 THR 45 HG22 THR 45 -2.634 3.051 -2.090 174 HG23 THR 45 HG23 THR 45 -1.350 2.415 -3.119 175 H THR 46 HN THR 46 -3.200 -1.729 -0.134 176 HA THR 46 HA THR 46 -5.288 -2.758 -1.756 177 HB THR 46 HB THR 46 -4.054 -4.007 0.707 178 HG1 THR 46 HG1 THR 46 -3.088 -3.571 -1.806 179 HG21 THR 46 HG21 THR 46 -4.830 -6.114 -0.195 180 HG22 THR 46 HG22 THR 46 -5.485 -5.303 -1.617 181 HG23 THR 46 HG23 THR 46 -6.203 -5.017 -0.031 182 H LEU 47 HN LEU 47 -5.090 -2.190 1.760 183 HA LEU 47 HA LEU 47 -7.886 -2.763 2.127 184 HB2 LEU 47 HB2 LEU 47 -5.892 -1.567 4.050 185 HB3 LEU 47 HB1 LEU 47 -7.479 -2.184 4.467 186 HG LEU 47 HG LEU 47 -5.222 -3.855 3.355 187 HD11 LEU 47 HD11 LEU 47 -5.059 -4.773 5.615 188 HD12 LEU 47 HD12 LEU 47 -6.267 -3.616 6.173 189 HD13 LEU 47 HD13 LEU 47 -4.703 -3.046 5.590 190 HD21 LEU 47 HD21 LEU 47 -6.638 -5.747 4.009 191 HD22 LEU 47 HD22 LEU 47 -7.415 -4.739 2.789 192 HD23 LEU 47 HD23 LEU 47 -7.914 -4.624 4.477 193 H PHE 48 HN PHE 48 -5.861 0.150 2.340 194 HA PHE 48 HA PHE 48 -7.764 1.993 3.098 195 HB2 PHE 48 HB2 PHE 48 -5.378 2.519 2.935 196 HB3 PHE 48 HB1 PHE 48 -5.461 2.413 1.181 197 HD1 PHE 48 HD1 PHE 48 -5.992 4.289 -0.091 198 HD2 PHE 48 HD2 PHE 48 -6.796 4.296 4.087 199 HE1 PHE 48 HE1 PHE 48 -6.554 6.682 -0.208 200 HE2 PHE 48 HE2 PHE 48 -7.358 6.688 3.979 201 HZ PHE 48 HZ PHE 48 -7.239 7.885 1.830 202 H CYS 49 HN CYS 49 -7.222 0.592 -0.077 203 HA CYS 49 HA CYS 49 -8.911 2.428 -1.468 204 HB2 CYS 49 HB2 CYS 49 -7.159 1.174 -2.637 205 HB3 CYS 49 HB1 CYS 49 -7.981 -0.338 -2.264 206 HG CYS 49 HG CYS 49 -9.008 2.109 -4.414 207 H LEU 50 HN LEU 50 -9.363 -0.686 0.091 208 HA LEU 50 HA LEU 50 -12.009 -1.116 -0.895 209 HB2 LEU 50 HB2 LEU 50 -10.666 -2.301 1.540 210 HB3 LEU 50 HB1 LEU 50 -12.112 -2.916 0.746 211 HG LEU 50 HG LEU 50 -9.490 -2.716 -0.715 212 HD11 LEU 50 HD11 LEU 50 -10.458 -5.163 0.745 213 HD12 LEU 50 HD12 LEU 50 -9.258 -4.052 1.406 214 HD13 LEU 50 HD13 LEU 50 -8.919 -4.929 -0.086 215 HD21 LEU 50 HD21 LEU 50 -11.483 -3.032 -2.069 216 HD22 LEU 50 HD22 LEU 50 -11.951 -4.420 -1.086 217 HD23 LEU 50 HD23 LEU 50 -10.494 -4.492 -2.077 218 H LEU 51 HN LEU 51 -10.623 0.604 1.776 219 HA LEU 51 HA LEU 51 -13.080 0.828 3.262 220 HB2 LEU 51 HB2 LEU 51 -10.464 2.313 3.536 221 HB3 LEU 51 HB1 LEU 51 -11.796 2.397 4.674 222 HG LEU 51 HG LEU 51 -10.241 -0.113 4.034 223 HD11 LEU 51 HD11 LEU 51 -8.846 1.519 5.183 224 HD12 LEU 51 HD12 LEU 51 -9.246 0.171 6.247 225 HD13 LEU 51 HD13 LEU 51 -10.080 1.714 6.427 226 HD21 LEU 51 HD21 LEU 51 -12.530 -0.554 4.742 227 HD22 LEU 51 HD22 LEU 51 -12.302 0.472 6.158 228 HD23 LEU 51 HD23 LEU 51 -11.383 -1.024 5.996 229 H HIS 52 HN HIS 52 -11.245 2.810 1.007 230 HA HIS 52 HA HIS 52 -12.914 5.124 1.341 231 HB2 HIS 52 HB2 HIS 52 -10.588 5.407 0.702 232 HB3 HIS 52 HB1 HIS 52 -10.835 4.440 -0.747 233 HD1 HIS 52 HD1 HIS 52 -11.532 7.829 0.694 234 HD2 HIS 52 HD2 HIS 52 -11.999 5.784 -2.893 235 HE1 HIS 52 HE1 HIS 52 -12.145 9.581 -1.003 236 HE2 HIS 52 HE2 HIS 52 -12.371 8.329 -3.178 237 H PHE 53 HN PHE 53 -12.439 2.769 -1.291 238 HA PHE 53 HA PHE 53 -14.417 3.772 -2.994 239 HB2 PHE 53 HB2 PHE 53 -12.610 2.084 -3.552 240 HB3 PHE 53 HB1 PHE 53 -13.625 0.866 -2.786 241 HD1 PHE 53 HD1 PHE 53 -15.715 0.165 -3.809 242 HD2 PHE 53 HD2 PHE 53 -13.190 3.033 -5.681 243 HE1 PHE 53 HE1 PHE 53 -16.934 -0.148 -5.922 244 HE2 PHE 53 HE2 PHE 53 -14.405 2.726 -7.798 245 HZ PHE 53 HZ PHE 53 -16.281 1.136 -7.920 246 H GLY 54 HN GLY 54 -14.657 1.806 -0.145 247 HA2 GLY 54 HA2 GLY 54 -16.505 1.134 1.052 248 HA3 GLY 54 HA1 GLY 54 -17.477 2.141 -0.009 249 H VAL 55 HN VAL 55 -15.429 -0.374 -1.261 250 HA VAL 55 HA VAL 55 -17.147 -1.588 -2.945 251 HB VAL 55 HB VAL 55 -15.436 -3.442 -1.358 252 HG11 VAL 55 HG11 VAL 55 -14.886 -4.294 -3.593 253 HG12 VAL 55 HG12 VAL 55 -15.893 -3.034 -4.309 254 HG13 VAL 55 HG13 VAL 55 -16.625 -4.279 -3.295 255 HG21 VAL 55 HG21 VAL 55 -14.054 -1.471 -1.411 256 HG22 VAL 55 HG22 VAL 55 -14.354 -1.262 -3.138 257 HG23 VAL 55 HG23 VAL 55 -13.426 -2.648 -2.564 258 H ILE 56 HN ILE 56 -16.457 -3.188 0.134 259 HA ILE 56 HA ILE 56 -19.299 -3.630 0.599 260 HB ILE 56 HB ILE 56 -18.494 -6.106 1.176 261 HG12 ILE 56 HG12 ILE 56 -17.098 -6.925 -0.748 262 HG13 ILE 56 HG11 ILE 56 -16.770 -5.243 -1.152 263 HG21 ILE 56 HG21 ILE 56 -19.491 -6.812 -0.958 264 HG22 ILE 56 HG22 ILE 56 -19.377 -5.152 -1.544 265 HG23 ILE 56 HG23 ILE 56 -20.422 -5.534 -0.175 266 HD11 ILE 56 HD11 ILE 56 -14.939 -6.219 0.100 267 HD12 ILE 56 HD12 ILE 56 -16.037 -6.620 1.422 268 HD13 ILE 56 HD13 ILE 56 -15.712 -4.932 1.026 269 H GLY 57 HN GLY 57 -16.552 -2.571 1.776 270 HA2 GLY 57 HA2 GLY 57 -17.271 -3.262 4.527 271 HA3 GLY 57 HA1 GLY 57 -15.628 -3.596 3.997 272 HA PRO 58 HA PRO 58 -15.904 1.173 3.919 273 HB2 PRO 58 HB2 PRO 58 -18.209 2.417 4.515 274 HB3 PRO 58 HB1 PRO 58 -17.875 1.803 2.891 275 HG2 PRO 58 HG2 PRO 58 -19.534 0.596 5.070 276 HG3 PRO 58 HG1 PRO 58 -19.876 0.705 3.335 277 HD2 PRO 58 HD2 PRO 58 -18.899 -1.542 4.552 278 HD3 PRO 58 HD1 PRO 58 -18.612 -1.143 2.847 279 H GLN 59 HN GLN 59 -14.803 0.198 5.920 280 HA GLN 59 HA GLN 59 -16.096 0.872 8.437 281 HB2 GLN 59 HB2 GLN 59 -13.375 -0.325 7.874 282 HB3 GLN 59 HB1 GLN 59 -14.071 -0.103 9.473 283 HG2 GLN 59 HG2 GLN 59 -15.921 -1.613 8.827 284 HG3 GLN 59 HG1 GLN 59 -15.102 -1.899 7.291 285 HE21 GLN 59 HE21 GLN 59 -14.821 -4.080 7.670 286 HE22 GLN 59 HE22 GLN 59 -13.705 -4.688 8.841 287 H ARG 60 HN ARG 60 -15.774 3.128 6.965 288 HA ARG 60 HA ARG 60 -13.309 4.469 7.513 289 HB2 ARG 60 HB2 ARG 60 -14.761 5.038 5.587 290 HB3 ARG 60 HB1 ARG 60 -15.979 5.637 6.706 291 HG2 ARG 60 HG2 ARG 60 -14.315 7.296 7.527 292 HG3 ARG 60 HG1 ARG 60 -13.222 6.755 6.252 293 HD2 ARG 60 HD2 ARG 60 -15.945 8.000 5.902 294 HD3 ARG 60 HD1 ARG 60 -14.388 8.734 5.520 295 HE ARG 60 HE ARG 60 -14.680 6.324 4.090 296 HH11 ARG 60 HH11 ARG 60 -15.899 9.587 4.181 297 HH12 ARG 60 HH12 ARG 60 -16.277 9.630 2.491 298 HH21 ARG 60 HH21 ARG 60 -15.176 6.371 1.866 299 HH22 ARG 60 HH22 ARG 60 -15.867 7.802 1.175 Start of MODEL 2 1 H1 ARG 28 HT1 ARG 28 23.832 -3.135 -7.454 2 H2 ARG 28 HT2 ARG 28 24.447 -3.373 -9.012 3 H3 ARG 28 HT3 ARG 28 22.836 -2.905 -8.802 4 HA ARG 28 HA ARG 28 25.191 -1.278 -8.047 5 HB2 ARG 28 HB2 ARG 28 24.904 -1.587 -10.505 6 HB3 ARG 28 HB1 ARG 28 23.285 -0.918 -10.369 7 HG2 ARG 28 HG2 ARG 28 25.559 0.692 -9.340 8 HG3 ARG 28 HG1 ARG 28 25.342 0.561 -11.086 9 HD2 ARG 28 HD2 ARG 28 23.350 1.587 -9.070 10 HD3 ARG 28 HD1 ARG 28 24.192 2.519 -10.306 11 HE ARG 28 HE ARG 28 22.713 0.441 -11.512 12 HH11 ARG 28 HH11 ARG 28 22.285 3.507 -9.912 13 HH12 ARG 28 HH12 ARG 28 20.804 3.874 -10.731 14 HH21 ARG 28 HH21 ARG 28 20.763 0.914 -12.593 15 HH22 ARG 28 HH22 ARG 28 19.938 2.399 -12.254 16 H ARG 29 HN ARG 29 21.697 -1.628 -8.291 17 HA ARG 29 HA ARG 29 21.404 0.726 -6.540 18 HB2 ARG 29 HB2 ARG 29 20.431 1.062 -8.786 19 HB3 ARG 29 HB1 ARG 29 19.412 -0.350 -8.545 20 HG2 ARG 29 HG2 ARG 29 18.329 0.775 -6.648 21 HG3 ARG 29 HG1 ARG 29 19.324 2.202 -6.949 22 HD2 ARG 29 HD2 ARG 29 17.136 2.501 -7.935 23 HD3 ARG 29 HD1 ARG 29 18.353 2.375 -9.204 24 HE ARG 29 HE ARG 29 17.145 -0.142 -8.596 25 HH11 ARG 29 HH11 ARG 29 16.728 2.825 -10.376 26 HH12 ARG 29 HH12 ARG 29 15.675 2.119 -11.556 27 HH21 ARG 29 HH21 ARG 29 15.762 -1.079 -10.147 28 HH22 ARG 29 HH22 ARG 29 15.127 -0.100 -11.427 29 H CYS 30 HN CYS 30 20.270 0.499 -4.677 30 HA CYS 30 HA CYS 30 19.771 -2.136 -3.709 31 HB2 CYS 30 HB2 CYS 30 19.028 0.543 -2.513 32 HB3 CYS 30 HB1 CYS 30 18.976 -1.001 -1.670 33 HG CYS 30 HG CYS 30 21.972 -0.779 -2.845 34 H LEU 31 HN LEU 31 18.207 -3.071 -5.018 35 HA LEU 31 HA LEU 31 15.648 -1.791 -5.400 36 HB2 LEU 31 HB2 LEU 31 16.685 -3.216 -7.137 37 HB3 LEU 31 HB1 LEU 31 16.530 -4.599 -6.071 38 HG LEU 31 HG LEU 31 14.043 -4.261 -6.115 39 HD11 LEU 31 HD11 LEU 31 13.116 -2.895 -7.926 40 HD12 LEU 31 HD12 LEU 31 14.737 -2.313 -8.308 41 HD13 LEU 31 HD13 LEU 31 14.002 -1.919 -6.754 42 HD21 LEU 31 HD21 LEU 31 13.762 -5.215 -8.361 43 HD22 LEU 31 HD22 LEU 31 15.104 -5.957 -7.489 44 HD23 LEU 31 HD23 LEU 31 15.422 -4.765 -8.749 45 H PHE 32 HN PHE 32 17.064 -4.070 -3.212 46 HA PHE 32 HA PHE 32 14.544 -5.094 -2.254 47 HB2 PHE 32 HB2 PHE 32 16.705 -6.405 -2.273 48 HB3 PHE 32 HB1 PHE 32 17.259 -5.372 -0.958 49 HD1 PHE 32 HD1 PHE 32 16.195 -5.495 1.249 50 HD2 PHE 32 HD2 PHE 32 15.099 -8.128 -1.911 51 HE1 PHE 32 HE1 PHE 32 15.100 -6.984 2.874 52 HE2 PHE 32 HE2 PHE 32 14.002 -9.620 -0.292 53 HZ PHE 32 HZ PHE 32 14.001 -9.048 2.103 54 H LEU 33 HN LEU 33 17.010 -2.819 -1.124 55 HA LEU 33 HA LEU 33 15.843 -2.297 1.391 56 HB2 LEU 33 HB2 LEU 33 17.638 -0.560 -0.294 57 HB3 LEU 33 HB1 LEU 33 17.251 -0.271 1.392 58 HG LEU 33 HG LEU 33 18.863 -2.546 0.247 59 HD11 LEU 33 HD11 LEU 33 19.509 -0.363 2.213 60 HD12 LEU 33 HD12 LEU 33 20.051 -0.448 0.538 61 HD13 LEU 33 HD13 LEU 33 20.603 -1.648 1.707 62 HD21 LEU 33 HD21 LEU 33 19.082 -3.361 2.555 63 HD22 LEU 33 HD22 LEU 33 17.418 -3.451 1.979 64 HD23 LEU 33 HD23 LEU 33 17.900 -2.161 3.081 65 H SER 34 HN SER 34 15.475 -0.765 -1.771 66 HA SER 34 HA SER 34 13.821 1.360 -0.842 67 HB2 SER 34 HB2 SER 34 14.129 0.219 -3.630 68 HB3 SER 34 HB1 SER 34 13.351 1.751 -3.232 69 HG SER 34 HG SER 34 15.362 2.463 -2.403 70 H LEU 35 HN LEU 35 13.222 -1.870 -2.083 71 HA LEU 35 HA LEU 35 10.399 -1.565 -2.361 72 HB2 LEU 35 HB2 LEU 35 11.677 -3.255 -3.595 73 HB3 LEU 35 HB1 LEU 35 12.068 -4.062 -2.088 74 HG LEU 35 HG LEU 35 9.646 -4.507 -1.743 75 HD11 LEU 35 HD11 LEU 35 8.122 -4.235 -3.639 76 HD12 LEU 35 HD12 LEU 35 9.391 -3.399 -4.536 77 HD13 LEU 35 HD13 LEU 35 8.731 -2.684 -3.064 78 HD21 LEU 35 HD21 LEU 35 11.098 -6.193 -2.720 79 HD22 LEU 35 HD22 LEU 35 10.814 -5.524 -4.327 80 HD23 LEU 35 HD23 LEU 35 9.487 -6.266 -3.433 81 H PHE 36 HN PHE 36 12.477 -2.076 0.299 82 HA PHE 36 HA PHE 36 10.825 -3.568 2.009 83 HB2 PHE 36 HB2 PHE 36 13.276 -3.037 2.344 84 HB3 PHE 36 HB1 PHE 36 12.780 -1.432 2.871 85 HD1 PHE 36 HD1 PHE 36 12.693 -5.018 3.676 86 HD2 PHE 36 HD2 PHE 36 11.842 -1.075 5.032 87 HE1 PHE 36 HE1 PHE 36 12.379 -5.875 5.959 88 HE2 PHE 36 HE2 PHE 36 11.527 -1.925 7.320 89 HZ PHE 36 HZ PHE 36 11.796 -4.329 7.785 90 H SER 37 HN SER 37 10.623 -0.311 0.943 91 HA SER 37 HA SER 37 8.826 0.432 3.132 92 HB2 SER 37 HB2 SER 37 8.954 2.716 2.152 93 HB3 SER 37 HB1 SER 37 10.533 2.071 2.603 94 HG SER 37 HG SER 37 9.483 1.878 -0.021 95 H PHE 38 HN PHE 38 8.888 0.339 -0.423 96 HA PHE 38 HA PHE 38 6.302 1.184 -0.930 97 HB2 PHE 38 HB2 PHE 38 7.939 -0.867 -2.433 98 HB3 PHE 38 HB1 PHE 38 6.474 -0.110 -3.049 99 HD1 PHE 38 HD1 PHE 38 6.632 2.625 -2.640 100 HD2 PHE 38 HD2 PHE 38 9.850 -0.056 -3.389 101 HE1 PHE 38 HE1 PHE 38 7.968 4.486 -3.538 102 HE2 PHE 38 HE2 PHE 38 11.193 1.800 -4.287 103 HZ PHE 38 HZ PHE 38 10.255 4.071 -4.367 104 H LEU 39 HN LEU 39 7.461 -2.022 -0.035 105 HA LEU 39 HA LEU 39 5.104 -3.454 -0.535 106 HB2 LEU 39 HB2 LEU 39 7.419 -4.355 -0.015 107 HB3 LEU 39 HB1 LEU 39 7.060 -4.059 1.675 108 HG LEU 39 HG LEU 39 5.195 -5.739 0.053 109 HD11 LEU 39 HD11 LEU 39 7.740 -6.729 1.330 110 HD12 LEU 39 HD12 LEU 39 7.428 -6.631 -0.403 111 HD13 LEU 39 HD13 LEU 39 6.482 -7.728 0.603 112 HD21 LEU 39 HD21 LEU 39 4.518 -5.109 2.292 113 HD22 LEU 39 HD22 LEU 39 6.035 -5.723 2.949 114 HD23 LEU 39 HD23 LEU 39 4.869 -6.835 2.231 115 H ILE 40 HN ILE 40 6.249 -1.883 2.446 116 HA ILE 40 HA ILE 40 4.081 -2.622 4.069 117 HB ILE 40 HB ILE 40 5.776 -0.130 4.295 118 HG12 ILE 40 HG12 ILE 40 6.153 -2.844 5.585 119 HG13 ILE 40 HG11 ILE 40 7.086 -2.247 4.215 120 HG21 ILE 40 HG21 ILE 40 3.726 -0.045 5.630 121 HG22 ILE 40 HG22 ILE 40 5.156 -0.175 6.655 122 HG23 ILE 40 HG23 ILE 40 4.144 -1.591 6.370 123 HD11 ILE 40 HD11 ILE 40 7.021 -1.047 6.973 124 HD12 ILE 40 HD12 ILE 40 7.942 -0.426 5.603 125 HD13 ILE 40 HD13 ILE 40 8.326 -2.010 6.280 126 H VAL 41 HN VAL 41 4.543 0.090 1.874 127 HA VAL 41 HA VAL 41 2.197 1.504 2.674 128 HB VAL 41 HB VAL 41 3.748 1.718 0.088 129 HG11 VAL 41 HG11 VAL 41 2.757 3.955 -0.064 130 HG12 VAL 41 HG12 VAL 41 1.812 3.633 1.390 131 HG13 VAL 41 HG13 VAL 41 1.522 2.697 -0.076 132 HG21 VAL 41 HG21 VAL 41 4.009 3.308 2.637 133 HG22 VAL 41 HG22 VAL 41 4.898 3.588 1.140 134 HG23 VAL 41 HG23 VAL 41 5.154 2.102 2.052 135 H LEU 42 HN LEU 42 2.922 -0.895 0.204 136 HA LEU 42 HA LEU 42 0.509 -0.626 -1.243 137 HB2 LEU 42 HB2 LEU 42 2.504 -2.871 -1.015 138 HB3 LEU 42 HB1 LEU 42 1.087 -2.967 -2.054 139 HG LEU 42 HG LEU 42 3.216 -0.839 -2.297 140 HD11 LEU 42 HD11 LEU 42 4.143 -3.047 -2.773 141 HD12 LEU 42 HD12 LEU 42 4.001 -2.081 -4.242 142 HD13 LEU 42 HD13 LEU 42 2.829 -3.357 -3.908 143 HD21 LEU 42 HD21 LEU 42 2.178 -0.403 -4.457 144 HD22 LEU 42 HD22 LEU 42 1.013 -0.195 -3.150 145 HD23 LEU 42 HD23 LEU 42 0.972 -1.650 -4.143 146 H LEU 43 HN LEU 43 1.514 -2.955 1.258 147 HA LEU 43 HA LEU 43 -0.775 -4.501 1.357 148 HB2 LEU 43 HB2 LEU 43 1.378 -3.829 3.279 149 HB3 LEU 43 HB1 LEU 43 -0.077 -4.539 3.948 150 HG LEU 43 HG LEU 43 1.670 -6.212 3.478 151 HD11 LEU 43 HD11 LEU 43 -0.665 -6.883 3.471 152 HD12 LEU 43 HD12 LEU 43 0.250 -7.795 2.271 153 HD13 LEU 43 HD13 LEU 43 -0.793 -6.467 1.761 154 HD21 LEU 43 HD21 LEU 43 1.247 -5.420 0.599 155 HD22 LEU 43 HD22 LEU 43 2.193 -6.798 1.158 156 HD23 LEU 43 HD23 LEU 43 2.710 -5.158 1.548 157 H LEU 44 HN LEU 44 -0.169 -1.361 2.841 158 HA LEU 44 HA LEU 44 -2.603 -1.375 4.360 159 HB2 LEU 44 HB2 LEU 44 -0.720 0.867 3.636 160 HB3 LEU 44 HB1 LEU 44 -2.095 1.042 4.710 161 HG LEU 44 HG LEU 44 0.331 -0.690 5.192 162 HD11 LEU 44 HD11 LEU 44 0.725 0.884 7.045 163 HD12 LEU 44 HD12 LEU 44 -0.631 1.860 6.478 164 HD13 LEU 44 HD13 LEU 44 0.799 1.664 5.465 165 HD21 LEU 44 HD21 LEU 44 -1.637 -1.751 6.122 166 HD22 LEU 44 HD22 LEU 44 -2.126 -0.237 6.884 167 HD23 LEU 44 HD23 LEU 44 -0.662 -1.060 7.421 168 H THR 45 HN THR 45 -1.530 0.261 1.392 169 HA THR 45 HA THR 45 -3.890 1.676 0.894 170 HB THR 45 HB THR 45 -3.137 1.724 -1.491 171 HG1 THR 45 HG1 THR 45 -0.810 0.369 -0.624 172 HG21 THR 45 HG21 THR 45 -1.064 2.352 0.611 173 HG22 THR 45 HG22 THR 45 -2.354 3.418 0.058 174 HG23 THR 45 HG23 THR 45 -1.050 2.970 -1.039 175 H THR 46 HN THR 46 -3.156 -1.678 0.488 176 HA THR 46 HA THR 46 -4.975 -2.365 -1.526 177 HB THR 46 HB THR 46 -4.177 -4.059 0.850 178 HG1 THR 46 HG1 THR 46 -2.968 -4.529 -1.572 179 HG21 THR 46 HG21 THR 46 -4.735 -5.954 -0.556 180 HG22 THR 46 HG22 THR 46 -5.156 -4.879 -1.888 181 HG23 THR 46 HG23 THR 46 -6.138 -4.892 -0.423 182 H LEU 47 HN LEU 47 -5.417 -2.591 2.010 183 HA LEU 47 HA LEU 47 -8.250 -3.036 1.706 184 HB2 LEU 47 HB2 LEU 47 -6.516 -2.657 4.144 185 HB3 LEU 47 HB1 LEU 47 -8.239 -2.963 4.216 186 HG LEU 47 HG LEU 47 -7.111 -5.020 4.645 187 HD11 LEU 47 HD11 LEU 47 -8.130 -5.040 1.810 188 HD12 LEU 47 HD12 LEU 47 -9.115 -5.184 3.265 189 HD13 LEU 47 HD13 LEU 47 -7.950 -6.445 2.860 190 HD21 LEU 47 HD21 LEU 47 -5.641 -4.637 2.040 191 HD22 LEU 47 HD22 LEU 47 -5.501 -6.014 3.134 192 HD23 LEU 47 HD23 LEU 47 -4.947 -4.420 3.646 193 H PHE 48 HN PHE 48 -6.140 -0.363 2.464 194 HA PHE 48 HA PHE 48 -8.104 1.361 3.553 195 HB2 PHE 48 HB2 PHE 48 -5.717 1.730 3.925 196 HB3 PHE 48 HB1 PHE 48 -5.471 2.018 2.208 197 HD1 PHE 48 HD1 PHE 48 -7.183 3.328 5.221 198 HD2 PHE 48 HD2 PHE 48 -5.758 4.150 1.296 199 HE1 PHE 48 HE1 PHE 48 -7.624 5.724 5.567 200 HE2 PHE 48 HE2 PHE 48 -6.195 6.547 1.635 201 HZ PHE 48 HZ PHE 48 -7.135 7.334 3.783 202 H CYS 49 HN CYS 49 -7.178 0.561 0.292 203 HA CYS 49 HA CYS 49 -8.546 2.812 -0.889 204 HB2 CYS 49 HB2 CYS 49 -6.602 1.916 -2.026 205 HB3 CYS 49 HB1 CYS 49 -7.345 0.323 -2.115 206 HG CYS 49 HG CYS 49 -7.630 1.063 -4.653 207 H LEU 50 HN LEU 50 -9.132 -0.658 -0.514 208 HA LEU 50 HA LEU 50 -11.465 -0.867 -2.023 209 HB2 LEU 50 HB2 LEU 50 -10.652 -2.381 0.461 210 HB3 LEU 50 HB1 LEU 50 -11.964 -2.851 -0.613 211 HG LEU 50 HG LEU 50 -9.126 -2.569 -1.581 212 HD11 LEU 50 HD11 LEU 50 -9.314 -4.217 0.300 213 HD12 LEU 50 HD12 LEU 50 -8.778 -4.895 -1.237 214 HD13 LEU 50 HD13 LEU 50 -10.443 -5.129 -0.703 215 HD21 LEU 50 HD21 LEU 50 -9.931 -4.061 -3.361 216 HD22 LEU 50 HD22 LEU 50 -10.834 -2.547 -3.301 217 HD23 LEU 50 HD23 LEU 50 -11.543 -4.023 -2.646 218 H LEU 51 HN LEU 51 -10.970 0.256 1.262 219 HA LEU 51 HA LEU 51 -13.783 0.353 1.874 220 HB2 LEU 51 HB2 LEU 51 -11.348 1.406 3.302 221 HB3 LEU 51 HB1 LEU 51 -12.980 1.586 3.919 222 HG LEU 51 HG LEU 51 -11.635 -1.065 3.388 223 HD11 LEU 51 HD11 LEU 51 -11.490 -1.242 5.829 224 HD12 LEU 51 HD12 LEU 51 -12.098 0.408 5.979 225 HD13 LEU 51 HD13 LEU 51 -10.539 0.108 5.211 226 HD21 LEU 51 HD21 LEU 51 -13.517 -1.984 4.661 227 HD22 LEU 51 HD22 LEU 51 -14.061 -1.162 3.198 228 HD23 LEU 51 HD23 LEU 51 -14.229 -0.372 4.766 229 H HIS 52 HN HIS 52 -11.418 2.502 0.526 230 HA HIS 52 HA HIS 52 -12.833 4.926 1.064 231 HB2 HIS 52 HB2 HIS 52 -10.382 4.815 0.645 232 HB3 HIS 52 HB1 HIS 52 -10.720 4.404 -1.033 233 HD1 HIS 52 HD1 HIS 52 -10.541 7.254 1.314 234 HD2 HIS 52 HD2 HIS 52 -11.805 6.540 -2.579 235 HE1 HIS 52 HE1 HIS 52 -10.803 9.524 0.266 236 HE2 HIS 52 HE2 HIS 52 -11.646 9.070 -2.065 237 H PHE 53 HN PHE 53 -12.243 3.193 -2.007 238 HA PHE 53 HA PHE 53 -14.345 4.688 -3.304 239 HB2 PHE 53 HB2 PHE 53 -12.611 2.427 -4.315 240 HB3 PHE 53 HB1 PHE 53 -13.721 3.369 -5.303 241 HD1 PHE 53 HD1 PHE 53 -13.335 5.924 -5.344 242 HD2 PHE 53 HD2 PHE 53 -10.412 3.099 -4.090 243 HE1 PHE 53 HE1 PHE 53 -11.563 7.578 -5.765 244 HE2 PHE 53 HE2 PHE 53 -8.633 4.748 -4.506 245 HZ PHE 53 HZ PHE 53 -9.206 6.993 -5.334 246 H GLY 54 HN GLY 54 -13.979 1.600 -1.775 247 HA2 GLY 54 HA2 GLY 54 -15.747 0.243 -1.049 248 HA3 GLY 54 HA1 GLY 54 -16.826 1.103 -2.135 249 H VAL 55 HN VAL 55 -14.823 0.694 -4.365 250 HA VAL 55 HA VAL 55 -14.979 -2.185 -4.764 251 HB VAL 55 HB VAL 55 -15.761 -1.204 -7.236 252 HG11 VAL 55 HG11 VAL 55 -16.447 -3.317 -6.237 253 HG12 VAL 55 HG12 VAL 55 -17.852 -2.402 -6.785 254 HG13 VAL 55 HG13 VAL 55 -17.447 -2.452 -5.070 255 HG21 VAL 55 HG21 VAL 55 -17.405 0.110 -5.078 256 HG22 VAL 55 HG22 VAL 55 -17.807 0.066 -6.793 257 HG23 VAL 55 HG23 VAL 55 -16.374 0.935 -6.246 258 H ILE 56 HN ILE 56 -14.561 0.306 -7.210 259 HA ILE 56 HA ILE 56 -11.676 -0.176 -7.240 260 HB ILE 56 HB ILE 56 -11.996 -0.127 -9.861 261 HG12 ILE 56 HG12 ILE 56 -13.975 -1.557 -10.466 262 HG13 ILE 56 HG11 ILE 56 -14.577 -1.322 -8.830 263 HG21 ILE 56 HG21 ILE 56 -12.363 -2.579 -8.147 264 HG22 ILE 56 HG22 ILE 56 -10.830 -1.859 -8.635 265 HG23 ILE 56 HG23 ILE 56 -11.888 -2.586 -9.845 266 HD11 ILE 56 HD11 ILE 56 -14.715 1.079 -9.224 267 HD12 ILE 56 HD12 ILE 56 -15.667 0.172 -10.399 268 HD13 ILE 56 HD13 ILE 56 -14.104 0.846 -10.862 269 H GLY 57 HN GLY 57 -14.099 2.002 -7.181 270 HA2 GLY 57 HA2 GLY 57 -13.838 4.332 -7.134 271 HA3 GLY 57 HA1 GLY 57 -12.314 4.152 -7.992 272 HA PRO 58 HA PRO 58 -15.690 3.917 -11.405 273 HB2 PRO 58 HB2 PRO 58 -18.268 4.294 -10.729 274 HB3 PRO 58 HB1 PRO 58 -17.499 2.705 -10.643 275 HG2 PRO 58 HG2 PRO 58 -18.034 4.674 -8.451 276 HG3 PRO 58 HG1 PRO 58 -18.259 2.915 -8.453 277 HD2 PRO 58 HD2 PRO 58 -16.098 4.138 -7.335 278 HD3 PRO 58 HD1 PRO 58 -16.039 2.505 -8.026 279 H GLN 59 HN GLN 59 -16.411 6.140 -8.770 280 HA GLN 59 HA GLN 59 -16.668 8.394 -8.668 281 HB2 GLN 59 HB2 GLN 59 -14.459 8.229 -9.918 282 HB3 GLN 59 HB1 GLN 59 -15.375 8.516 -11.391 283 HG2 GLN 59 HG2 GLN 59 -16.108 10.669 -10.542 284 HG3 GLN 59 HG1 GLN 59 -15.251 10.378 -9.029 285 HE21 GLN 59 HE21 GLN 59 -14.930 12.525 -10.978 286 HE22 GLN 59 HE22 GLN 59 -13.278 12.474 -11.481 287 H ARG 60 HN ARG 60 -18.481 6.539 -10.437 288 HA ARG 60 HA ARG 60 -20.171 8.742 -11.366 289 HB2 ARG 60 HB2 ARG 60 -19.498 6.304 -13.025 290 HB3 ARG 60 HB1 ARG 60 -20.698 7.518 -13.447 291 HG2 ARG 60 HG2 ARG 60 -18.974 9.210 -13.608 292 HG3 ARG 60 HG1 ARG 60 -17.753 8.040 -13.105 293 HD2 ARG 60 HD2 ARG 60 -19.427 7.909 -15.609 294 HD3 ARG 60 HD1 ARG 60 -17.719 8.339 -15.519 295 HE ARG 60 HE ARG 60 -18.527 5.710 -14.533 296 HH11 ARG 60 HH11 ARG 60 -16.997 7.636 -17.003 297 HH12 ARG 60 HH12 ARG 60 -16.182 6.290 -17.727 298 HH21 ARG 60 HH21 ARG 60 -17.457 3.934 -15.483 299 HH22 ARG 60 HH22 ARG 60 -16.445 4.187 -16.865 Start of MODEL 3 1 H1 ARG 28 HT1 ARG 28 21.254 9.123 -0.470 2 H2 ARG 28 HT2 ARG 28 20.579 7.697 -1.081 3 H3 ARG 28 HT3 ARG 28 21.680 7.629 0.201 4 HA ARG 28 HA ARG 28 20.149 8.793 1.636 5 HB2 ARG 28 HB2 ARG 28 18.319 8.644 -0.768 6 HB3 ARG 28 HB1 ARG 28 17.816 9.131 0.844 7 HG2 ARG 28 HG2 ARG 28 19.380 11.029 0.734 8 HG3 ARG 28 HG1 ARG 28 19.808 10.553 -0.911 9 HD2 ARG 28 HD2 ARG 28 17.510 10.883 -1.629 10 HD3 ARG 28 HD1 ARG 28 17.035 11.289 0.020 11 HE ARG 28 HE ARG 28 19.111 12.995 -0.897 12 HH11 ARG 28 HH11 ARG 28 15.688 12.404 -1.173 13 HH12 ARG 28 HH12 ARG 28 15.305 14.048 -1.554 14 HH21 ARG 28 HH21 ARG 28 18.613 15.164 -1.393 15 HH22 ARG 28 HH22 ARG 28 16.966 15.618 -1.676 16 H ARG 29 HN ARG 29 18.740 6.536 -0.744 17 HA ARG 29 HA ARG 29 18.444 4.575 1.434 18 HB2 ARG 29 HB2 ARG 29 16.484 5.045 -0.820 19 HB3 ARG 29 HB1 ARG 29 16.323 3.855 0.464 20 HG2 ARG 29 HG2 ARG 29 16.184 5.658 2.113 21 HG3 ARG 29 HG1 ARG 29 16.329 6.846 0.816 22 HD2 ARG 29 HD2 ARG 29 14.113 4.826 1.158 23 HD3 ARG 29 HD1 ARG 29 14.001 6.560 1.455 24 HE ARG 29 HE ARG 29 14.837 5.962 -1.211 25 HH11 ARG 29 HH11 ARG 29 12.061 6.214 0.880 26 HH12 ARG 29 HH12 ARG 29 10.958 6.550 -0.412 27 HH21 ARG 29 HH21 ARG 29 13.393 6.401 -2.918 28 HH22 ARG 29 HH22 ARG 29 11.714 6.655 -2.571 29 H CYS 30 HN CYS 30 18.570 2.372 0.832 30 HA CYS 30 HA CYS 30 20.209 1.940 -1.549 31 HB2 CYS 30 HB2 CYS 30 21.047 1.104 0.610 32 HB3 CYS 30 HB1 CYS 30 19.612 0.100 0.778 33 HG CYS 30 HG CYS 30 22.440 -0.664 -0.598 34 H LEU 31 HN LEU 31 19.827 0.019 -2.875 35 HA LEU 31 HA LEU 31 17.227 -0.082 -3.895 36 HB2 LEU 31 HB2 LEU 31 19.463 -2.090 -4.178 37 HB3 LEU 31 HB1 LEU 31 18.015 -2.057 -5.165 38 HG LEU 31 HG LEU 31 19.992 0.219 -5.044 39 HD11 LEU 31 HD11 LEU 31 19.777 -2.013 -7.060 40 HD12 LEU 31 HD12 LEU 31 21.098 -1.762 -5.918 41 HD13 LEU 31 HD13 LEU 31 20.810 -0.590 -7.204 42 HD21 LEU 31 HD21 LEU 31 17.762 -0.434 -6.969 43 HD22 LEU 31 HD22 LEU 31 18.874 0.929 -7.100 44 HD23 LEU 31 HD23 LEU 31 17.742 0.842 -5.750 45 H PHE 32 HN PHE 32 18.655 -1.739 -1.244 46 HA PHE 32 HA PHE 32 16.687 -3.869 -1.215 47 HB2 PHE 32 HB2 PHE 32 19.070 -4.205 -0.494 48 HB3 PHE 32 HB1 PHE 32 18.738 -3.177 0.896 49 HD1 PHE 32 HD1 PHE 32 17.502 -3.981 2.765 50 HD2 PHE 32 HD2 PHE 32 18.002 -6.408 -0.695 51 HE1 PHE 32 HE1 PHE 32 16.686 -5.931 4.022 52 HE2 PHE 32 HE2 PHE 32 17.185 -8.364 0.555 53 HZ PHE 32 HZ PHE 32 16.542 -8.138 2.909 54 H LEU 33 HN LEU 33 17.321 -0.832 0.420 55 HA LEU 33 HA LEU 33 15.290 -1.214 2.417 56 HB2 LEU 33 HB2 LEU 33 16.841 1.226 1.580 57 HB3 LEU 33 HB1 LEU 33 15.709 1.193 2.917 58 HG LEU 33 HG LEU 33 18.286 -0.368 2.708 59 HD11 LEU 33 HD11 LEU 33 18.599 1.984 3.200 60 HD12 LEU 33 HD12 LEU 33 18.941 1.006 4.627 61 HD13 LEU 33 HD13 LEU 33 17.417 1.886 4.503 62 HD21 LEU 33 HD21 LEU 33 16.206 -0.346 4.895 63 HD22 LEU 33 HD22 LEU 33 17.791 -1.109 4.999 64 HD23 LEU 33 HD23 LEU 33 16.601 -1.705 3.843 65 H SER 34 HN SER 34 15.387 -0.068 -0.818 66 HA SER 34 HA SER 34 13.139 1.662 -0.734 67 HB2 SER 34 HB2 SER 34 14.340 0.153 -3.066 68 HB3 SER 34 HB1 SER 34 13.162 1.460 -3.197 69 HG SER 34 HG SER 34 15.435 2.003 -1.705 70 H LEU 35 HN LEU 35 13.532 -1.788 -1.278 71 HA LEU 35 HA LEU 35 10.806 -2.198 -2.076 72 HB2 LEU 35 HB2 LEU 35 12.722 -3.650 -2.770 73 HB3 LEU 35 HB1 LEU 35 12.815 -4.237 -1.121 74 HG LEU 35 HG LEU 35 10.198 -4.489 -2.513 75 HD11 LEU 35 HD11 LEU 35 11.783 -5.191 -4.229 76 HD12 LEU 35 HD12 LEU 35 10.891 -6.570 -3.585 77 HD13 LEU 35 HD13 LEU 35 12.555 -6.282 -3.078 78 HD21 LEU 35 HD21 LEU 35 11.770 -6.270 -0.653 79 HD22 LEU 35 HD22 LEU 35 10.137 -6.581 -1.240 80 HD23 LEU 35 HD23 LEU 35 10.449 -5.198 -0.194 81 H PHE 36 HN PHE 36 12.573 -2.167 0.914 82 HA PHE 36 HA PHE 36 10.837 -3.649 2.534 83 HB2 PHE 36 HB2 PHE 36 13.086 -2.945 3.245 84 HB3 PHE 36 HB1 PHE 36 12.547 -1.271 3.294 85 HD1 PHE 36 HD1 PHE 36 11.935 -4.611 4.792 86 HD2 PHE 36 HD2 PHE 36 11.597 -0.391 5.225 87 HE1 PHE 36 HE1 PHE 36 11.233 -4.910 7.133 88 HE2 PHE 36 HE2 PHE 36 10.896 -0.683 7.565 89 HZ PHE 36 HZ PHE 36 10.714 -2.944 8.522 90 H SER 37 HN SER 37 10.918 -0.154 1.868 91 HA SER 37 HA SER 37 8.487 0.295 3.358 92 HB2 SER 37 HB2 SER 37 10.087 2.153 1.581 93 HB3 SER 37 HB1 SER 37 8.739 2.639 2.606 94 HG SER 37 HG SER 37 10.960 1.287 3.690 95 H PHE 38 HN PHE 38 9.153 -0.924 0.354 96 HA PHE 38 HA PHE 38 6.918 0.297 -1.042 97 HB2 PHE 38 HB2 PHE 38 9.129 -0.370 -2.133 98 HB3 PHE 38 HB1 PHE 38 8.578 -2.033 -1.980 99 HD1 PHE 38 HD1 PHE 38 7.612 -2.963 -3.829 100 HD2 PHE 38 HD2 PHE 38 7.245 1.230 -3.207 101 HE1 PHE 38 HE1 PHE 38 6.391 -2.759 -5.955 102 HE2 PHE 38 HE2 PHE 38 6.023 1.443 -5.331 103 HZ PHE 38 HZ PHE 38 5.593 -0.554 -6.709 104 H LEU 39 HN LEU 39 7.551 -2.446 0.907 105 HA LEU 39 HA LEU 39 5.362 -4.032 -0.104 106 HB2 LEU 39 HB2 LEU 39 7.464 -4.979 0.899 107 HB3 LEU 39 HB1 LEU 39 6.917 -4.398 2.458 108 HG LEU 39 HG LEU 39 5.119 -6.192 0.900 109 HD11 LEU 39 HD11 LEU 39 6.216 -8.163 1.815 110 HD12 LEU 39 HD12 LEU 39 7.484 -7.150 2.503 111 HD13 LEU 39 HD13 LEU 39 7.306 -7.273 0.753 112 HD21 LEU 39 HD21 LEU 39 4.322 -5.229 2.984 113 HD22 LEU 39 HD22 LEU 39 5.732 -5.859 3.835 114 HD23 LEU 39 HD23 LEU 39 4.541 -6.969 3.160 115 H ILE 40 HN ILE 40 5.931 -1.707 2.416 116 HA ILE 40 HA ILE 40 3.472 -2.266 3.820 117 HB ILE 40 HB ILE 40 5.294 0.126 4.105 118 HG12 ILE 40 HG12 ILE 40 5.284 -2.414 5.747 119 HG13 ILE 40 HG11 ILE 40 6.428 -2.094 4.448 120 HG21 ILE 40 HG21 ILE 40 4.285 0.311 6.335 121 HG22 ILE 40 HG22 ILE 40 3.219 -1.042 5.957 122 HG23 ILE 40 HG23 ILE 40 3.083 0.467 5.054 123 HD11 ILE 40 HD11 ILE 40 6.116 -0.475 6.967 124 HD12 ILE 40 HD12 ILE 40 7.262 -0.149 5.665 125 HD13 ILE 40 HD13 ILE 40 7.405 -1.628 6.618 126 H VAL 41 HN VAL 41 4.611 -0.022 1.381 127 HA VAL 41 HA VAL 41 2.431 1.785 1.538 128 HB VAL 41 HB VAL 41 4.648 2.297 0.487 129 HG11 VAL 41 HG11 VAL 41 3.519 0.685 -1.788 130 HG12 VAL 41 HG12 VAL 41 4.915 0.264 -0.801 131 HG13 VAL 41 HG13 VAL 41 4.975 1.677 -1.854 132 HG21 VAL 41 HG21 VAL 41 2.736 3.769 0.188 133 HG22 VAL 41 HG22 VAL 41 2.187 2.804 -1.183 134 HG23 VAL 41 HG23 VAL 41 3.700 3.704 -1.287 135 H LEU 42 HN LEU 42 2.994 -1.182 -0.257 136 HA LEU 42 HA LEU 42 0.679 -0.870 -1.930 137 HB2 LEU 42 HB2 LEU 42 2.377 -3.300 -1.354 138 HB3 LEU 42 HB1 LEU 42 1.130 -3.208 -2.592 139 HG LEU 42 HG LEU 42 3.642 -1.530 -2.539 140 HD11 LEU 42 HD11 LEU 42 4.120 -3.891 -2.941 141 HD12 LEU 42 HD12 LEU 42 4.377 -2.926 -4.395 142 HD13 LEU 42 HD13 LEU 42 2.924 -3.914 -4.238 143 HD21 LEU 42 HD21 LEU 42 2.988 -0.931 -4.826 144 HD22 LEU 42 HD22 LEU 42 1.790 -0.405 -3.644 145 HD23 LEU 42 HD23 LEU 42 1.487 -1.836 -4.629 146 H LEU 43 HN LEU 43 1.496 -3.095 0.734 147 HA LEU 43 HA LEU 43 -0.969 -4.350 0.953 148 HB2 LEU 43 HB2 LEU 43 1.082 -5.097 2.081 149 HB3 LEU 43 HB1 LEU 43 0.986 -3.722 3.164 150 HG LEU 43 HG LEU 43 -1.182 -4.607 4.020 151 HD11 LEU 43 HD11 LEU 43 -1.829 -5.923 2.077 152 HD12 LEU 43 HD12 LEU 43 -1.777 -6.925 3.528 153 HD13 LEU 43 HD13 LEU 43 -0.469 -7.012 2.348 154 HD21 LEU 43 HD21 LEU 43 0.897 -5.030 5.215 155 HD22 LEU 43 HD22 LEU 43 1.186 -6.465 4.230 156 HD23 LEU 43 HD23 LEU 43 -0.186 -6.416 5.339 157 H LEU 44 HN LEU 44 -0.060 -1.154 1.898 158 HA LEU 44 HA LEU 44 -2.242 -0.808 3.750 159 HB2 LEU 44 HB2 LEU 44 -0.496 0.524 4.388 160 HB3 LEU 44 HB1 LEU 44 0.016 0.831 2.740 161 HG LEU 44 HG LEU 44 -1.952 2.352 2.488 162 HD11 LEU 44 HD11 LEU 44 -2.167 1.957 5.470 163 HD12 LEU 44 HD12 LEU 44 -3.353 1.462 4.263 164 HD13 LEU 44 HD13 LEU 44 -3.031 3.174 4.533 165 HD21 LEU 44 HD21 LEU 44 0.029 3.032 4.655 166 HD22 LEU 44 HD22 LEU 44 -0.937 4.192 3.743 167 HD23 LEU 44 HD23 LEU 44 0.279 3.215 2.919 168 H THR 45 HN THR 45 -1.398 0.446 0.523 169 HA THR 45 HA THR 45 -3.771 1.911 0.143 170 HB THR 45 HB THR 45 -3.196 1.726 -2.324 171 HG1 THR 45 HG1 THR 45 -0.660 0.861 -1.820 172 HG21 THR 45 HG21 THR 45 -1.202 3.153 -2.118 173 HG22 THR 45 HG22 THR 45 -1.056 2.691 -0.422 174 HG23 THR 45 HG23 THR 45 -2.458 3.611 -0.967 175 H THR 46 HN THR 46 -3.103 -1.466 -0.105 176 HA THR 46 HA THR 46 -5.077 -2.244 -1.939 177 HB THR 46 HB THR 46 -4.044 -3.813 0.432 178 HG1 THR 46 HG1 THR 46 -3.146 -3.612 -2.267 179 HG21 THR 46 HG21 THR 46 -4.739 -5.784 -0.814 180 HG22 THR 46 HG22 THR 46 -5.344 -4.770 -2.121 181 HG23 THR 46 HG23 THR 46 -6.123 -4.726 -0.540 182 H LEU 47 HN LEU 47 -5.229 -2.374 1.631 183 HA LEU 47 HA LEU 47 -8.061 -2.846 1.586 184 HB2 LEU 47 HB2 LEU 47 -6.140 -2.278 3.839 185 HB3 LEU 47 HB1 LEU 47 -7.848 -2.576 4.084 186 HG LEU 47 HG LEU 47 -6.682 -4.599 4.557 187 HD11 LEU 47 HD11 LEU 47 -7.937 -4.818 1.826 188 HD12 LEU 47 HD12 LEU 47 -8.793 -4.860 3.367 189 HD13 LEU 47 HD13 LEU 47 -7.662 -6.146 2.953 190 HD21 LEU 47 HD21 LEU 47 -4.616 -4.056 3.323 191 HD22 LEU 47 HD22 LEU 47 -5.447 -4.429 1.813 192 HD23 LEU 47 HD23 LEU 47 -5.188 -5.695 3.013 193 H PHE 48 HN PHE 48 -5.972 -0.077 2.225 194 HA PHE 48 HA PHE 48 -7.856 1.668 3.299 195 HB2 PHE 48 HB2 PHE 48 -5.412 2.097 3.217 196 HB3 PHE 48 HB1 PHE 48 -5.547 2.395 1.488 197 HD1 PHE 48 HD1 PHE 48 -6.990 3.553 4.724 198 HD2 PHE 48 HD2 PHE 48 -5.824 4.560 0.757 199 HE1 PHE 48 HE1 PHE 48 -7.496 5.919 5.179 200 HE2 PHE 48 HE2 PHE 48 -6.327 6.926 1.204 201 HZ PHE 48 HZ PHE 48 -7.170 7.607 3.416 202 H CYS 49 HN CYS 49 -6.979 1.141 -0.108 203 HA CYS 49 HA CYS 49 -8.772 3.070 -1.146 204 HB2 CYS 49 HB2 CYS 49 -6.862 2.232 -2.436 205 HB3 CYS 49 HB1 CYS 49 -7.586 0.628 -2.480 206 HG CYS 49 HG CYS 49 -9.518 3.084 -3.710 207 H LEU 50 HN LEU 50 -9.083 -0.348 -0.398 208 HA LEU 50 HA LEU 50 -11.565 -0.771 -1.683 209 HB2 LEU 50 HB2 LEU 50 -10.202 -2.178 0.609 210 HB3 LEU 50 HB1 LEU 50 -11.736 -2.717 -0.065 211 HG LEU 50 HG LEU 50 -9.217 -2.446 -1.705 212 HD11 LEU 50 HD11 LEU 50 -9.032 -4.890 -1.519 213 HD12 LEU 50 HD12 LEU 50 -10.347 -4.888 -0.343 214 HD13 LEU 50 HD13 LEU 50 -8.823 -4.084 0.036 215 HD21 LEU 50 HD21 LEU 50 -11.836 -3.858 -2.196 216 HD22 LEU 50 HD22 LEU 50 -10.430 -3.910 -3.258 217 HD23 LEU 50 HD23 LEU 50 -11.276 -2.386 -2.990 218 H LEU 51 HN LEU 51 -10.684 0.516 1.444 219 HA LEU 51 HA LEU 51 -13.363 0.403 2.499 220 HB2 LEU 51 HB2 LEU 51 -10.870 1.789 3.484 221 HB3 LEU 51 HB1 LEU 51 -12.388 1.750 4.361 222 HG LEU 51 HG LEU 51 -10.793 -0.705 3.623 223 HD11 LEU 51 HD11 LEU 51 -10.152 -0.773 5.979 224 HD12 LEU 51 HD12 LEU 51 -10.975 0.762 6.252 225 HD13 LEU 51 HD13 LEU 51 -9.562 0.694 5.199 226 HD21 LEU 51 HD21 LEU 51 -13.163 -0.307 5.448 227 HD22 LEU 51 HD22 LEU 51 -12.262 -1.811 5.251 228 HD23 LEU 51 HD23 LEU 51 -13.167 -1.142 3.894 229 H HIS 52 HN HIS 52 -11.437 2.669 0.715 230 HA HIS 52 HA HIS 52 -12.992 4.982 1.371 231 HB2 HIS 52 HB2 HIS 52 -10.623 5.115 0.669 232 HB3 HIS 52 HB1 HIS 52 -11.082 4.551 -0.934 233 HD1 HIS 52 HD1 HIS 52 -12.007 6.261 -2.551 234 HD2 HIS 52 HD2 HIS 52 -11.519 7.758 1.294 235 HE1 HIS 52 HE1 HIS 52 -12.364 8.742 -2.746 236 HE2 HIS 52 HE2 HIS 52 -12.029 9.634 -0.414 237 H PHE 53 HN PHE 53 -13.137 2.524 -1.119 238 HA PHE 53 HA PHE 53 -15.376 3.981 -2.362 239 HB2 PHE 53 HB2 PHE 53 -13.441 1.989 -3.539 240 HB3 PHE 53 HB1 PHE 53 -14.908 2.511 -4.366 241 HD1 PHE 53 HD1 PHE 53 -15.190 5.090 -4.625 242 HD2 PHE 53 HD2 PHE 53 -11.480 3.142 -3.886 243 HE1 PHE 53 HE1 PHE 53 -13.992 7.039 -5.527 244 HE2 PHE 53 HE2 PHE 53 -10.273 5.089 -4.785 245 HZ PHE 53 HZ PHE 53 -11.526 7.048 -5.589 246 H GLY 54 HN GLY 54 -14.540 1.258 -0.536 247 HA2 GLY 54 HA2 GLY 54 -16.155 -0.123 0.503 248 HA3 GLY 54 HA1 GLY 54 -17.269 0.235 -0.806 249 H VAL 55 HN VAL 55 -15.081 -0.337 -2.800 250 HA VAL 55 HA VAL 55 -14.133 -2.937 -2.544 251 HB VAL 55 HB VAL 55 -16.432 -3.645 -2.482 252 HG11 VAL 55 HG11 VAL 55 -16.773 -2.311 -5.153 253 HG12 VAL 55 HG12 VAL 55 -17.452 -1.751 -3.627 254 HG13 VAL 55 HG13 VAL 55 -17.978 -3.286 -4.318 255 HG21 VAL 55 HG21 VAL 55 -16.444 -5.199 -4.408 256 HG22 VAL 55 HG22 VAL 55 -14.897 -5.148 -3.563 257 HG23 VAL 55 HG23 VAL 55 -15.092 -4.302 -5.097 258 H ILE 56 HN ILE 56 -15.602 -0.753 -4.929 259 HA ILE 56 HA ILE 56 -13.169 -0.505 -6.380 260 HB ILE 56 HB ILE 56 -14.531 -1.316 -8.559 261 HG12 ILE 56 HG12 ILE 56 -15.363 -3.668 -7.918 262 HG13 ILE 56 HG11 ILE 56 -15.464 -3.045 -6.277 263 HG21 ILE 56 HG21 ILE 56 -12.837 -3.129 -6.852 264 HG22 ILE 56 HG22 ILE 56 -12.222 -1.874 -7.926 265 HG23 ILE 56 HG23 ILE 56 -13.094 -3.253 -8.592 266 HD11 ILE 56 HD11 ILE 56 -16.896 -1.881 -8.651 267 HD12 ILE 56 HD12 ILE 56 -17.056 -1.376 -6.968 268 HD13 ILE 56 HD13 ILE 56 -17.606 -2.975 -7.464 269 H GLY 57 HN GLY 57 -13.269 1.627 -6.619 270 HA2 GLY 57 HA2 GLY 57 -15.795 2.944 -7.183 271 HA3 GLY 57 HA1 GLY 57 -14.254 3.732 -6.880 272 HA PRO 58 HA PRO 58 -13.364 4.328 -11.161 273 HB2 PRO 58 HB2 PRO 58 -11.195 2.318 -11.270 274 HB3 PRO 58 HB1 PRO 58 -11.136 4.055 -11.582 275 HG2 PRO 58 HG2 PRO 58 -10.078 3.017 -9.360 276 HG3 PRO 58 HG1 PRO 58 -10.903 4.587 -9.343 277 HD2 PRO 58 HD2 PRO 58 -11.895 1.913 -8.437 278 HD3 PRO 58 HD1 PRO 58 -12.118 3.510 -7.690 279 H GLN 59 HN GLN 59 -12.905 3.135 -13.342 280 HA GLN 59 HA GLN 59 -14.701 0.808 -13.430 281 HB2 GLN 59 HB2 GLN 59 -15.043 1.403 -15.812 282 HB3 GLN 59 HB1 GLN 59 -15.530 2.685 -14.712 283 HG2 GLN 59 HG2 GLN 59 -13.425 3.854 -15.152 284 HG3 GLN 59 HG1 GLN 59 -12.958 2.574 -16.271 285 HE21 GLN 59 HE21 GLN 59 -14.032 2.386 -18.246 286 HE22 GLN 59 HE22 GLN 59 -14.966 3.682 -18.904 287 H ARG 60 HN ARG 60 -11.874 0.648 -12.778 288 HA ARG 60 HA ARG 60 -10.494 -0.338 -15.096 289 HB2 ARG 60 HB2 ARG 60 -9.355 0.720 -13.132 290 HB3 ARG 60 HB1 ARG 60 -9.769 -0.701 -12.184 291 HG2 ARG 60 HG2 ARG 60 -7.511 -0.922 -12.894 292 HG3 ARG 60 HG1 ARG 60 -8.479 -2.077 -13.813 293 HD2 ARG 60 HD2 ARG 60 -6.836 -0.912 -15.223 294 HD3 ARG 60 HD1 ARG 60 -8.494 -0.589 -15.725 295 HE ARG 60 HE ARG 60 -7.999 1.494 -14.122 296 HH11 ARG 60 HH11 ARG 60 -6.141 0.086 -16.713 297 HH12 ARG 60 HH12 ARG 60 -5.385 1.579 -17.155 298 HH21 ARG 60 HH21 ARG 60 -7.008 3.464 -14.697 299 HH22 ARG 60 HH22 ARG 60 -5.877 3.500 -16.009 Start of MODEL 4 1 H1 ARG 28 HT1 ARG 28 27.280 0.590 -3.943 2 H2 ARG 28 HT2 ARG 28 25.642 0.253 -4.189 3 H3 ARG 28 HT3 ARG 28 26.235 0.462 -2.618 4 HA ARG 28 HA ARG 28 26.781 2.766 -3.113 5 HB2 ARG 28 HB2 ARG 28 27.084 2.474 -5.537 6 HB3 ARG 28 HB1 ARG 28 25.361 2.173 -5.718 7 HG2 ARG 28 HG2 ARG 28 24.895 4.445 -4.916 8 HG3 ARG 28 HG1 ARG 28 26.630 4.742 -4.790 9 HD2 ARG 28 HD2 ARG 28 25.108 4.074 -7.307 10 HD3 ARG 28 HD1 ARG 28 25.737 5.660 -6.863 11 HE ARG 28 HE ARG 28 27.730 3.581 -6.979 12 HH11 ARG 28 HH11 ARG 28 26.011 6.030 -8.765 13 HH12 ARG 28 HH12 ARG 28 27.230 6.176 -9.987 14 HH21 ARG 28 HH21 ARG 28 29.338 3.767 -8.586 15 HH22 ARG 28 HH22 ARG 28 29.119 4.891 -9.886 16 H ARG 29 HN ARG 29 23.767 1.607 -4.626 17 HA ARG 29 HA ARG 29 22.259 3.171 -2.655 18 HB2 ARG 29 HB2 ARG 29 21.334 1.920 -5.249 19 HB3 ARG 29 HB1 ARG 29 20.364 2.944 -4.198 20 HG2 ARG 29 HG2 ARG 29 21.834 4.823 -4.625 21 HG3 ARG 29 HG1 ARG 29 22.878 3.803 -5.616 22 HD2 ARG 29 HD2 ARG 29 21.391 5.164 -6.997 23 HD3 ARG 29 HD1 ARG 29 21.057 3.445 -7.192 24 HE ARG 29 HE ARG 29 19.359 4.427 -5.209 25 HH11 ARG 29 HH11 ARG 29 19.906 4.821 -8.630 26 HH12 ARG 29 HH12 ARG 29 18.252 5.196 -8.982 27 HH21 ARG 29 HH21 ARG 29 17.179 4.921 -5.666 28 HH22 ARG 29 HH22 ARG 29 16.704 5.255 -7.297 29 H CYS 30 HN CYS 30 20.197 2.215 -1.876 30 HA CYS 30 HA CYS 30 20.603 -0.625 -1.234 31 HB2 CYS 30 HB2 CYS 30 18.999 1.489 0.219 32 HB3 CYS 30 HB1 CYS 30 19.126 -0.197 0.711 33 HG CYS 30 HG CYS 30 21.200 2.330 1.272 34 H LEU 31 HN LEU 31 19.623 -1.541 -3.026 35 HA LEU 31 HA LEU 31 16.975 -0.785 -3.846 36 HB2 LEU 31 HB2 LEU 31 18.777 -3.078 -4.613 37 HB3 LEU 31 HB1 LEU 31 17.173 -2.863 -5.284 38 HG LEU 31 HG LEU 31 18.768 -2.025 -6.858 39 HD11 LEU 31 HD11 LEU 31 17.443 0.280 -5.439 40 HD12 LEU 31 HD12 LEU 31 16.702 -0.751 -6.664 41 HD13 LEU 31 HD13 LEU 31 18.055 0.296 -7.094 42 HD21 LEU 31 HD21 LEU 31 20.612 -1.664 -5.258 43 HD22 LEU 31 HD22 LEU 31 19.801 -0.205 -4.689 44 HD23 LEU 31 HD23 LEU 31 20.378 -0.303 -6.353 45 H PHE 32 HN PHE 32 18.387 -3.152 -1.726 46 HA PHE 32 HA PHE 32 16.048 -4.799 -1.519 47 HB2 PHE 32 HB2 PHE 32 18.298 -5.698 -1.085 48 HB3 PHE 32 HB1 PHE 32 18.472 -4.605 0.287 49 HD1 PHE 32 HD1 PHE 32 16.617 -7.525 -0.995 50 HD2 PHE 32 HD2 PHE 32 17.551 -5.128 2.396 51 HE1 PHE 32 HE1 PHE 32 15.609 -9.220 0.476 52 HE2 PHE 32 HE2 PHE 32 16.546 -6.819 3.874 53 HZ PHE 32 HZ PHE 32 15.564 -8.862 2.915 54 H LEU 33 HN LEU 33 17.370 -2.057 0.197 55 HA LEU 33 HA LEU 33 15.544 -2.241 2.409 56 HB2 LEU 33 HB2 LEU 33 17.934 -1.090 2.123 57 HB3 LEU 33 HB1 LEU 33 16.931 0.302 1.771 58 HG LEU 33 HG LEU 33 16.456 -1.306 4.249 59 HD11 LEU 33 HD11 LEU 33 18.847 -0.761 4.212 60 HD12 LEU 33 HD12 LEU 33 17.986 0.132 5.466 61 HD13 LEU 33 HD13 LEU 33 18.447 0.939 3.967 62 HD21 LEU 33 HD21 LEU 33 16.034 1.593 3.534 63 HD22 LEU 33 HD22 LEU 33 15.630 0.845 5.079 64 HD23 LEU 33 HD23 LEU 33 14.788 0.347 3.612 65 H SER 34 HN SER 34 15.827 -0.261 -0.504 66 HA SER 34 HA SER 34 13.707 1.487 -0.050 67 HB2 SER 34 HB2 SER 34 13.652 1.796 -2.495 68 HB3 SER 34 HB1 SER 34 15.309 1.784 -1.891 69 HG SER 34 HG SER 34 14.000 -0.024 -3.529 70 H LEU 35 HN LEU 35 13.742 -1.838 -1.085 71 HA LEU 35 HA LEU 35 11.051 -1.936 -2.015 72 HB2 LEU 35 HB2 LEU 35 12.790 -3.561 -2.681 73 HB3 LEU 35 HB1 LEU 35 12.820 -4.179 -1.040 74 HG LEU 35 HG LEU 35 10.183 -4.189 -2.389 75 HD11 LEU 35 HD11 LEU 35 11.645 -4.884 -4.208 76 HD12 LEU 35 HD12 LEU 35 10.687 -6.239 -3.612 77 HD13 LEU 35 HD13 LEU 35 12.386 -6.095 -3.163 78 HD21 LEU 35 HD21 LEU 35 10.022 -6.350 -1.245 79 HD22 LEU 35 HD22 LEU 35 10.465 -5.057 -0.130 80 HD23 LEU 35 HD23 LEU 35 11.693 -6.185 -0.704 81 H PHE 36 HN PHE 36 12.588 -2.210 1.091 82 HA PHE 36 HA PHE 36 10.553 -3.539 2.502 83 HB2 PHE 36 HB2 PHE 36 12.870 -3.130 3.344 84 HB3 PHE 36 HB1 PHE 36 12.446 -1.438 3.578 85 HD1 PHE 36 HD1 PHE 36 11.937 -4.862 4.771 86 HD2 PHE 36 HD2 PHE 36 11.033 -0.751 5.398 87 HE1 PHE 36 HE1 PHE 36 11.082 -5.396 7.016 88 HE2 PHE 36 HE2 PHE 36 10.178 -1.278 7.645 89 HZ PHE 36 HZ PHE 36 10.216 -3.598 8.462 90 H SER 37 HN SER 37 10.778 -0.312 1.306 91 HA SER 37 HA SER 37 8.727 0.737 3.060 92 HB2 SER 37 HB2 SER 37 9.937 2.018 0.602 93 HB3 SER 37 HB1 SER 37 9.021 2.824 1.874 94 HG SER 37 HG SER 37 11.657 1.981 1.845 95 H PHE 38 HN PHE 38 9.033 -0.135 -0.369 96 HA PHE 38 HA PHE 38 6.460 0.635 -1.171 97 HB2 PHE 38 HB2 PHE 38 8.123 -1.632 -2.281 98 HB3 PHE 38 HB1 PHE 38 6.794 -0.821 -3.099 99 HD1 PHE 38 HD1 PHE 38 7.257 1.965 -2.748 100 HD2 PHE 38 HD2 PHE 38 10.099 -1.144 -3.351 101 HE1 PHE 38 HE1 PHE 38 8.831 3.595 -3.707 102 HE2 PHE 38 HE2 PHE 38 11.678 0.481 -4.310 103 HZ PHE 38 HZ PHE 38 11.052 2.844 -4.492 104 H LEU 39 HN LEU 39 7.651 -2.293 0.345 105 HA LEU 39 HA LEU 39 5.443 -3.950 -0.091 106 HB2 LEU 39 HB2 LEU 39 7.678 -4.624 0.825 107 HB3 LEU 39 HB1 LEU 39 7.199 -3.931 2.362 108 HG LEU 39 HG LEU 39 5.414 -5.967 1.153 109 HD11 LEU 39 HD11 LEU 39 6.751 -7.791 2.078 110 HD12 LEU 39 HD12 LEU 39 8.022 -6.646 2.502 111 HD13 LEU 39 HD13 LEU 39 7.625 -6.934 0.808 112 HD21 LEU 39 HD21 LEU 39 6.343 -5.396 3.965 113 HD22 LEU 39 HD22 LEU 39 5.137 -6.597 3.507 114 HD23 LEU 39 HD23 LEU 39 4.815 -4.883 3.251 115 H ILE 40 HN ILE 40 5.961 -1.344 2.153 116 HA ILE 40 HA ILE 40 3.657 -1.980 3.772 117 HB ILE 40 HB ILE 40 5.320 0.542 3.711 118 HG12 ILE 40 HG12 ILE 40 5.441 -1.771 5.656 119 HG13 ILE 40 HG11 ILE 40 6.557 -1.561 4.311 120 HG21 ILE 40 HG21 ILE 40 3.324 -0.459 5.739 121 HG22 ILE 40 HG22 ILE 40 3.112 0.917 4.656 122 HG23 ILE 40 HG23 ILE 40 4.340 0.972 5.921 123 HD11 ILE 40 HD11 ILE 40 7.310 0.552 5.271 124 HD12 ILE 40 HD12 ILE 40 7.531 -0.790 6.393 125 HD13 ILE 40 HD13 ILE 40 6.193 0.337 6.619 126 H VAL 41 HN VAL 41 4.513 0.512 1.381 127 HA VAL 41 HA VAL 41 2.049 1.864 1.445 128 HB VAL 41 HB VAL 41 4.269 2.638 0.406 129 HG11 VAL 41 HG11 VAL 41 4.519 2.256 -1.977 130 HG12 VAL 41 HG12 VAL 41 3.103 1.204 -1.970 131 HG13 VAL 41 HG13 VAL 41 4.555 0.732 -1.093 132 HG21 VAL 41 HG21 VAL 41 3.089 4.114 -1.174 133 HG22 VAL 41 HG22 VAL 41 2.253 3.982 0.373 134 HG23 VAL 41 HG23 VAL 41 1.655 3.097 -1.029 135 H LEU 42 HN LEU 42 2.927 -1.147 0.097 136 HA LEU 42 HA LEU 42 0.838 -1.181 -1.905 137 HB2 LEU 42 HB2 LEU 42 3.171 -2.418 -1.856 138 HB3 LEU 42 HB1 LEU 42 2.255 -3.647 -0.995 139 HG LEU 42 HG LEU 42 2.404 -4.184 -3.361 140 HD11 LEU 42 HD11 LEU 42 0.030 -4.469 -3.860 141 HD12 LEU 42 HD12 LEU 42 -0.378 -3.329 -2.577 142 HD13 LEU 42 HD13 LEU 42 0.390 -4.866 -2.180 143 HD21 LEU 42 HD21 LEU 42 1.368 -2.774 -5.057 144 HD22 LEU 42 HD22 LEU 42 2.670 -1.919 -4.230 145 HD23 LEU 42 HD23 LEU 42 0.988 -1.565 -3.832 146 H LEU 43 HN LEU 43 1.534 -3.185 0.970 147 HA LEU 43 HA LEU 43 -0.903 -4.510 1.081 148 HB2 LEU 43 HB2 LEU 43 0.966 -3.725 3.315 149 HB3 LEU 43 HB1 LEU 43 -0.389 -4.819 3.517 150 HG LEU 43 HG LEU 43 1.959 -5.299 1.678 151 HD11 LEU 43 HD11 LEU 43 2.620 -5.382 4.021 152 HD12 LEU 43 HD12 LEU 43 2.624 -6.995 3.307 153 HD13 LEU 43 HD13 LEU 43 1.301 -6.501 4.364 154 HD21 LEU 43 HD21 LEU 43 1.046 -7.567 1.510 155 HD22 LEU 43 HD22 LEU 43 -0.082 -6.363 0.891 156 HD23 LEU 43 HD23 LEU 43 -0.342 -7.077 2.482 157 H LEU 44 HN LEU 44 -0.138 -1.255 1.939 158 HA LEU 44 HA LEU 44 -2.463 -0.879 3.606 159 HB2 LEU 44 HB2 LEU 44 -0.436 1.036 2.467 160 HB3 LEU 44 HB1 LEU 44 -1.794 1.553 3.445 161 HG LEU 44 HG LEU 44 0.426 -0.283 4.348 162 HD11 LEU 44 HD11 LEU 44 1.053 1.595 5.792 163 HD12 LEU 44 HD12 LEU 44 -0.200 2.583 5.040 164 HD13 LEU 44 HD13 LEU 44 1.167 2.013 4.082 165 HD21 LEU 44 HD21 LEU 44 -0.584 -0.058 6.569 166 HD22 LEU 44 HD22 LEU 44 -1.682 -0.838 5.431 167 HD23 LEU 44 HD23 LEU 44 -1.919 0.856 5.866 168 H THR 45 HN THR 45 -1.442 0.272 0.390 169 HA THR 45 HA THR 45 -3.750 1.693 -0.244 170 HB THR 45 HB THR 45 -3.114 1.158 -2.670 171 HG1 THR 45 HG1 THR 45 -0.674 0.449 -2.417 172 HG21 THR 45 HG21 THR 45 -2.464 3.223 -1.545 173 HG22 THR 45 HG22 THR 45 -1.160 2.641 -2.580 174 HG23 THR 45 HG23 THR 45 -1.069 2.410 -0.834 175 H THR 46 HN THR 46 -3.229 -1.728 -0.149 176 HA THR 46 HA THR 46 -5.277 -2.515 -1.938 177 HB THR 46 HB THR 46 -4.201 -4.043 0.441 178 HG1 THR 46 HG1 THR 46 -2.966 -3.303 -1.763 179 HG21 THR 46 HG21 THR 46 -4.989 -6.027 -0.756 180 HG22 THR 46 HG22 THR 46 -5.646 -5.003 -2.034 181 HG23 THR 46 HG23 THR 46 -6.328 -4.932 -0.408 182 H LEU 47 HN LEU 47 -5.265 -2.540 1.634 183 HA LEU 47 HA LEU 47 -8.089 -2.951 1.776 184 HB2 LEU 47 HB2 LEU 47 -6.064 -2.181 3.873 185 HB3 LEU 47 HB1 LEU 47 -7.748 -2.530 4.220 186 HG LEU 47 HG LEU 47 -5.815 -4.500 2.992 187 HD11 LEU 47 HD11 LEU 47 -5.156 -3.986 5.266 188 HD12 LEU 47 HD12 LEU 47 -5.868 -5.597 5.189 189 HD13 LEU 47 HD13 LEU 47 -6.807 -4.247 5.829 190 HD21 LEU 47 HD21 LEU 47 -7.568 -6.138 3.539 191 HD22 LEU 47 HD22 LEU 47 -8.117 -4.936 2.371 192 HD23 LEU 47 HD23 LEU 47 -8.618 -4.820 4.059 193 H PHE 48 HN PHE 48 -5.965 -0.162 2.307 194 HA PHE 48 HA PHE 48 -7.831 1.665 3.223 195 HB2 PHE 48 HB2 PHE 48 -5.422 2.113 3.189 196 HB3 PHE 48 HB1 PHE 48 -5.450 2.196 1.431 197 HD1 PHE 48 HD1 PHE 48 -6.061 4.174 0.317 198 HD2 PHE 48 HD2 PHE 48 -6.645 3.839 4.519 199 HE1 PHE 48 HE1 PHE 48 -6.544 6.584 0.437 200 HE2 PHE 48 HE2 PHE 48 -7.131 6.248 4.647 201 HZ PHE 48 HZ PHE 48 -7.094 7.620 2.615 202 H CYS 49 HN CYS 49 -7.184 0.602 -0.066 203 HA CYS 49 HA CYS 49 -8.758 2.610 -1.334 204 HB2 CYS 49 HB2 CYS 49 -7.028 1.410 -2.570 205 HB3 CYS 49 HB1 CYS 49 -7.881 -0.111 -2.324 206 HG CYS 49 HG CYS 49 -10.006 0.479 -3.963 207 H LEU 50 HN LEU 50 -9.353 -0.759 -0.417 208 HA LEU 50 HA LEU 50 -11.962 -0.964 -1.431 209 HB2 LEU 50 HB2 LEU 50 -10.788 -2.383 0.966 210 HB3 LEU 50 HB1 LEU 50 -12.187 -2.900 0.030 211 HG LEU 50 HG LEU 50 -9.458 -2.626 -1.212 212 HD11 LEU 50 HD11 LEU 50 -9.061 -4.954 -0.826 213 HD12 LEU 50 HD12 LEU 50 -10.635 -5.144 -0.051 214 HD13 LEU 50 HD13 LEU 50 -9.378 -4.182 0.728 215 HD21 LEU 50 HD21 LEU 50 -10.390 -4.186 -2.849 216 HD22 LEU 50 HD22 LEU 50 -11.354 -2.713 -2.738 217 HD23 LEU 50 HD23 LEU 50 -11.917 -4.197 -1.968 218 H LEU 51 HN LEU 51 -10.705 0.370 1.537 219 HA LEU 51 HA LEU 51 -13.279 0.585 2.811 220 HB2 LEU 51 HB2 LEU 51 -10.595 1.780 3.508 221 HB3 LEU 51 HB1 LEU 51 -12.028 1.895 4.514 222 HG LEU 51 HG LEU 51 -10.699 -0.706 3.746 223 HD11 LEU 51 HD11 LEU 51 -9.889 -0.743 6.064 224 HD12 LEU 51 HD12 LEU 51 -10.514 0.890 6.298 225 HD13 LEU 51 HD13 LEU 51 -9.212 0.601 5.144 226 HD21 LEU 51 HD21 LEU 51 -13.063 -0.947 4.236 227 HD22 LEU 51 HD22 LEU 51 -12.864 -0.053 5.743 228 HD23 LEU 51 HD23 LEU 51 -12.097 -1.629 5.544 229 H HIS 52 HN HIS 52 -11.371 2.492 0.663 230 HA HIS 52 HA HIS 52 -12.627 5.000 1.303 231 HB2 HIS 52 HB2 HIS 52 -10.310 4.806 0.380 232 HB3 HIS 52 HB1 HIS 52 -11.009 4.279 -1.147 233 HD1 HIS 52 HD1 HIS 52 -12.108 6.071 -2.628 234 HD2 HIS 52 HD2 HIS 52 -10.612 7.545 0.959 235 HE1 HIS 52 HE1 HIS 52 -12.131 8.575 -2.866 236 HE2 HIS 52 HE2 HIS 52 -11.160 9.443 -0.709 237 H PHE 53 HN PHE 53 -12.671 2.948 -1.623 238 HA PHE 53 HA PHE 53 -14.820 4.318 -2.830 239 HB2 PHE 53 HB2 PHE 53 -13.613 1.599 -3.293 240 HB3 PHE 53 HB1 PHE 53 -14.985 2.178 -4.232 241 HD1 PHE 53 HD1 PHE 53 -11.419 2.600 -3.538 242 HD2 PHE 53 HD2 PHE 53 -14.733 3.953 -5.839 243 HE1 PHE 53 HE1 PHE 53 -9.881 3.779 -5.054 244 HE2 PHE 53 HE2 PHE 53 -13.202 5.134 -7.360 245 HZ PHE 53 HZ PHE 53 -10.772 5.048 -6.968 246 H GLY 54 HN GLY 54 -14.700 1.803 -0.447 247 HA2 GLY 54 HA2 GLY 54 -16.423 1.049 0.908 248 HA3 GLY 54 HA1 GLY 54 -17.543 2.028 -0.026 249 H VAL 55 HN VAL 55 -15.403 -0.246 -1.566 250 HA VAL 55 HA VAL 55 -17.213 -1.511 -3.143 251 HB VAL 55 HB VAL 55 -14.887 -1.931 -3.458 252 HG11 VAL 55 HG11 VAL 55 -13.622 -3.390 -1.863 253 HG12 VAL 55 HG12 VAL 55 -14.958 -3.188 -0.733 254 HG13 VAL 55 HG13 VAL 55 -14.029 -1.786 -1.255 255 HG21 VAL 55 HG21 VAL 55 -16.385 -3.701 -4.219 256 HG22 VAL 55 HG22 VAL 55 -16.241 -4.503 -2.655 257 HG23 VAL 55 HG23 VAL 55 -14.832 -4.361 -3.706 258 H ILE 56 HN ILE 56 -16.426 -2.343 0.185 259 HA ILE 56 HA ILE 56 -18.981 -3.609 0.527 260 HB ILE 56 HB ILE 56 -17.585 -5.634 1.615 261 HG12 ILE 56 HG12 ILE 56 -15.989 -6.408 -0.197 262 HG13 ILE 56 HG11 ILE 56 -16.059 -4.775 -0.846 263 HG21 ILE 56 HG21 ILE 56 -18.580 -5.499 -1.226 264 HG22 ILE 56 HG22 ILE 56 -19.555 -5.829 0.206 265 HG23 ILE 56 HG23 ILE 56 -18.312 -6.973 -0.296 266 HD11 ILE 56 HD11 ILE 56 -14.082 -5.159 0.540 267 HD12 ILE 56 HD12 ILE 56 -15.126 -5.500 1.920 268 HD13 ILE 56 HD13 ILE 56 -15.118 -3.892 1.194 269 H GLY 57 HN GLY 57 -19.156 -1.910 2.011 270 HA2 GLY 57 HA2 GLY 57 -17.754 -2.437 4.550 271 HA3 GLY 57 HA1 GLY 57 -17.953 -0.797 3.950 272 HA PRO 58 HA PRO 58 -21.858 -0.482 5.972 273 HB2 PRO 58 HB2 PRO 58 -23.135 0.724 3.626 274 HB3 PRO 58 HB1 PRO 58 -22.739 1.457 5.181 275 HG2 PRO 58 HG2 PRO 58 -21.426 2.101 2.915 276 HG3 PRO 58 HG1 PRO 58 -20.631 2.087 4.500 277 HD2 PRO 58 HD2 PRO 58 -20.547 0.034 2.319 278 HD3 PRO 58 HD1 PRO 58 -19.230 0.638 3.349 279 H GLN 59 HN GLN 59 -24.403 -0.628 5.294 280 HA GLN 59 HA GLN 59 -24.729 -3.097 3.723 281 HB2 GLN 59 HB2 GLN 59 -26.120 -2.462 6.332 282 HB3 GLN 59 HB1 GLN 59 -26.383 -3.893 5.347 283 HG2 GLN 59 HG2 GLN 59 -24.026 -4.533 5.714 284 HG3 GLN 59 HG1 GLN 59 -23.849 -3.142 6.784 285 HE21 GLN 59 HE21 GLN 59 -25.273 -6.282 6.369 286 HE22 GLN 59 HE22 GLN 59 -25.725 -6.522 8.019 287 H ARG 60 HN ARG 60 -25.374 -1.695 1.994 288 HA ARG 60 HA ARG 60 -28.086 -0.600 2.342 289 HB2 ARG 60 HB2 ARG 60 -27.442 0.879 0.349 290 HB3 ARG 60 HB1 ARG 60 -26.741 1.270 1.911 291 HG2 ARG 60 HG2 ARG 60 -24.671 0.126 1.259 292 HG3 ARG 60 HG1 ARG 60 -25.378 -0.228 -0.318 293 HD2 ARG 60 HD2 ARG 60 -25.589 2.155 -0.773 294 HD3 ARG 60 HD1 ARG 60 -24.928 2.530 0.818 295 HE ARG 60 HE ARG 60 -23.084 0.921 -0.522 296 HH11 ARG 60 HH11 ARG 60 -24.481 4.103 -0.786 297 HH12 ARG 60 HH12 ARG 60 -23.089 4.791 -1.552 298 HH21 ARG 60 HH21 ARG 60 -21.247 1.820 -1.536 299 HH22 ARG 60 HH22 ARG 60 -21.252 3.495 -1.978 Start of MODEL 5 1 H1 ARG 28 HT1 ARG 28 26.643 -0.933 0.331 2 H2 ARG 28 HT2 ARG 28 28.297 -0.602 0.205 3 H3 ARG 28 HT3 ARG 28 27.238 -0.096 -1.014 4 HA ARG 28 HA ARG 28 27.265 0.878 1.783 5 HB2 ARG 28 HB2 ARG 28 28.000 3.012 0.783 6 HB3 ARG 28 HB1 ARG 28 29.162 1.721 0.518 7 HG2 ARG 28 HG2 ARG 28 28.388 1.451 -1.761 8 HG3 ARG 28 HG1 ARG 28 27.147 2.679 -1.506 9 HD2 ARG 28 HD2 ARG 28 29.090 3.584 -2.692 10 HD3 ARG 28 HD1 ARG 28 28.859 4.361 -1.126 11 HE ARG 28 HE ARG 28 30.646 2.243 -0.787 12 HH11 ARG 28 HH11 ARG 28 30.489 5.318 -2.420 13 HH12 ARG 28 HH12 ARG 28 32.194 5.605 -2.317 14 HH21 ARG 28 HH21 ARG 28 32.891 2.611 -0.651 15 HH22 ARG 28 HH22 ARG 28 33.560 4.066 -1.313 16 H ARG 29 HN ARG 29 25.157 -0.161 -0.282 17 HA ARG 29 HA ARG 29 23.301 2.079 0.154 18 HB2 ARG 29 HB2 ARG 29 22.278 1.667 -2.030 19 HB3 ARG 29 HB1 ARG 29 23.979 2.079 -2.203 20 HG2 ARG 29 HG2 ARG 29 24.508 -0.312 -2.461 21 HG3 ARG 29 HG1 ARG 29 22.786 -0.683 -2.356 22 HD2 ARG 29 HD2 ARG 29 23.478 -0.629 -4.673 23 HD3 ARG 29 HD1 ARG 29 22.388 0.716 -4.343 24 HE ARG 29 HE ARG 29 25.180 1.375 -4.102 25 HH11 ARG 29 HH11 ARG 29 22.451 1.148 -6.259 26 HH12 ARG 29 HH12 ARG 29 23.098 2.279 -7.400 27 HH21 ARG 29 HH21 ARG 29 26.040 2.859 -5.603 28 HH22 ARG 29 HH22 ARG 29 25.138 3.249 -7.031 29 H CYS 30 HN CYS 30 21.023 1.439 0.163 30 HA CYS 30 HA CYS 30 20.705 -1.271 1.257 31 HB2 CYS 30 HB2 CYS 30 18.609 -0.345 2.279 32 HB3 CYS 30 HB1 CYS 30 20.093 0.404 2.855 33 HG CYS 30 HG CYS 30 17.483 1.780 1.344 34 H LEU 31 HN LEU 31 20.335 -2.462 -0.577 35 HA LEU 31 HA LEU 31 18.373 -1.618 -2.525 36 HB2 LEU 31 HB2 LEU 31 19.899 -4.210 -2.257 37 HB3 LEU 31 HB1 LEU 31 18.885 -3.773 -3.618 38 HG LEU 31 HG LEU 31 21.376 -2.284 -2.786 39 HD11 LEU 31 HD11 LEU 31 20.929 -4.238 -5.038 40 HD12 LEU 31 HD12 LEU 31 21.920 -4.507 -3.604 41 HD13 LEU 31 HD13 LEU 31 22.386 -3.280 -4.781 42 HD21 LEU 31 HD21 LEU 31 19.756 -0.862 -3.910 43 HD22 LEU 31 HD22 LEU 31 19.611 -2.033 -5.220 44 HD23 LEU 31 HD23 LEU 31 21.134 -1.180 -4.963 45 H PHE 32 HN PHE 32 18.652 -4.111 -0.025 46 HA PHE 32 HA PHE 32 16.085 -5.247 -0.559 47 HB2 PHE 32 HB2 PHE 32 17.894 -5.494 1.853 48 HB3 PHE 32 HB1 PHE 32 16.447 -6.459 1.581 49 HD1 PHE 32 HD1 PHE 32 16.376 -8.093 -0.257 50 HD2 PHE 32 HD2 PHE 32 19.930 -5.966 0.722 51 HE1 PHE 32 HE1 PHE 32 17.701 -9.727 -1.531 52 HE2 PHE 32 HE2 PHE 32 21.262 -7.596 -0.552 53 HZ PHE 32 HZ PHE 32 20.149 -9.472 -1.690 54 H LEU 33 HN LEU 33 17.351 -3.165 2.032 55 HA LEU 33 HA LEU 33 15.059 -2.841 3.526 56 HB2 LEU 33 HB2 LEU 33 17.609 -1.603 3.322 57 HB3 LEU 33 HB1 LEU 33 16.405 -0.331 3.405 58 HG LEU 33 HG LEU 33 15.495 -1.473 5.466 59 HD11 LEU 33 HD11 LEU 33 18.091 -2.990 5.269 60 HD12 LEU 33 HD12 LEU 33 16.474 -3.673 5.097 61 HD13 LEU 33 HD13 LEU 33 16.989 -3.001 6.645 62 HD21 LEU 33 HD21 LEU 33 17.221 -0.549 6.924 63 HD22 LEU 33 HD22 LEU 33 16.885 0.534 5.571 64 HD23 LEU 33 HD23 LEU 33 18.337 -0.468 5.561 65 H SER 34 HN SER 34 16.095 -0.978 0.687 66 HA SER 34 HA SER 34 14.007 0.898 0.723 67 HB2 SER 34 HB2 SER 34 14.591 1.299 -1.647 68 HB3 SER 34 HB1 SER 34 16.021 1.234 -0.616 69 HG SER 34 HG SER 34 15.380 -1.218 -1.564 70 H LEU 35 HN LEU 35 14.116 -2.399 -0.323 71 HA LEU 35 HA LEU 35 11.729 -2.233 -1.932 72 HB2 LEU 35 HB2 LEU 35 13.563 -3.838 -2.398 73 HB3 LEU 35 HB1 LEU 35 13.189 -4.664 -0.899 74 HG LEU 35 HG LEU 35 10.952 -4.366 -2.818 75 HD11 LEU 35 HD11 LEU 35 12.793 -4.907 -4.320 76 HD12 LEU 35 HD12 LEU 35 11.700 -6.280 -4.144 77 HD13 LEU 35 HD13 LEU 35 13.244 -6.268 -3.293 78 HD21 LEU 35 HD21 LEU 35 10.691 -5.523 -0.676 79 HD22 LEU 35 HD22 LEU 35 11.967 -6.652 -1.131 80 HD23 LEU 35 HD23 LEU 35 10.453 -6.621 -2.036 81 H PHE 36 HN PHE 36 12.471 -2.708 1.385 82 HA PHE 36 HA PHE 36 10.060 -4.123 2.051 83 HB2 PHE 36 HB2 PHE 36 12.373 -3.017 3.555 84 HB3 PHE 36 HB1 PHE 36 10.869 -3.250 4.441 85 HD1 PHE 36 HD1 PHE 36 13.164 -5.067 2.133 86 HD2 PHE 36 HD2 PHE 36 10.445 -5.299 5.395 87 HE1 PHE 36 HE1 PHE 36 13.699 -7.453 2.403 88 HE2 PHE 36 HE2 PHE 36 10.975 -7.685 5.673 89 HZ PHE 36 HZ PHE 36 12.603 -8.766 4.176 90 H SER 37 HN SER 37 10.589 -0.990 1.145 91 HA SER 37 HA SER 37 8.607 0.150 2.969 92 HB2 SER 37 HB2 SER 37 9.193 2.313 1.919 93 HB3 SER 37 HB1 SER 37 10.607 1.491 2.579 94 HG SER 37 HG SER 37 9.811 1.364 -0.141 95 H PHE 38 HN PHE 38 9.125 -0.411 -0.490 96 HA PHE 38 HA PHE 38 6.807 0.779 -1.469 97 HB2 PHE 38 HB2 PHE 38 8.313 -1.633 -2.498 98 HB3 PHE 38 HB1 PHE 38 7.052 -0.795 -3.398 99 HD1 PHE 38 HD1 PHE 38 7.415 1.728 -3.817 100 HD2 PHE 38 HD2 PHE 38 10.516 -0.963 -2.700 101 HE1 PHE 38 HE1 PHE 38 9.091 3.294 -4.709 102 HE2 PHE 38 HE2 PHE 38 12.197 0.597 -3.587 103 HZ PHE 38 HZ PHE 38 11.476 2.738 -4.599 104 H LEU 39 HN LEU 39 7.300 -2.366 0.001 105 HA LEU 39 HA LEU 39 4.787 -3.468 -0.715 106 HB2 LEU 39 HB2 LEU 39 6.863 -4.704 0.073 107 HB3 LEU 39 HB1 LEU 39 6.425 -4.217 1.699 108 HG LEU 39 HG LEU 39 4.450 -5.697 0.006 109 HD11 LEU 39 HD11 LEU 39 6.500 -7.003 -0.129 110 HD12 LEU 39 HD12 LEU 39 5.307 -7.809 0.888 111 HD13 LEU 39 HD13 LEU 39 6.661 -6.953 1.627 112 HD21 LEU 39 HD21 LEU 39 3.736 -6.527 2.225 113 HD22 LEU 39 HD22 LEU 39 3.646 -4.772 2.088 114 HD23 LEU 39 HD23 LEU 39 4.976 -5.520 2.972 115 H ILE 40 HN ILE 40 5.947 -1.714 2.128 116 HA ILE 40 HA ILE 40 3.614 -1.998 3.683 117 HB ILE 40 HB ILE 40 5.625 0.255 3.758 118 HG12 ILE 40 HG12 ILE 40 5.548 -2.304 5.373 119 HG13 ILE 40 HG11 ILE 40 6.613 -2.025 3.999 120 HG21 ILE 40 HG21 ILE 40 3.660 -0.716 5.829 121 HG22 ILE 40 HG22 ILE 40 3.571 0.802 4.936 122 HG23 ILE 40 HG23 ILE 40 4.883 0.529 6.083 123 HD11 ILE 40 HD11 ILE 40 7.679 -0.188 5.200 124 HD12 ILE 40 HD12 ILE 40 7.779 -1.701 6.101 125 HD13 ILE 40 HD13 ILE 40 6.610 -0.468 6.574 126 H VAL 41 HN VAL 41 4.508 0.239 1.147 127 HA VAL 41 HA VAL 41 2.361 2.074 1.665 128 HB VAL 41 HB VAL 41 4.170 1.785 -0.737 129 HG11 VAL 41 HG11 VAL 41 3.383 4.054 -1.337 130 HG12 VAL 41 HG12 VAL 41 2.179 3.947 -0.052 131 HG13 VAL 41 HG13 VAL 41 2.105 2.841 -1.423 132 HG21 VAL 41 HG21 VAL 41 5.334 2.415 1.307 133 HG22 VAL 41 HG22 VAL 41 4.197 3.738 1.560 134 HG23 VAL 41 HG23 VAL 41 5.284 3.762 0.172 135 H LEU 42 HN LEU 42 3.000 -0.325 -0.907 136 HA LEU 42 HA LEU 42 0.535 0.042 -2.210 137 HB2 LEU 42 HB2 LEU 42 1.012 -2.025 -3.388 138 HB3 LEU 42 HB1 LEU 42 2.440 -1.002 -3.309 139 HG LEU 42 HG LEU 42 2.976 -2.515 -1.198 140 HD11 LEU 42 HD11 LEU 42 1.292 -4.322 -2.926 141 HD12 LEU 42 HD12 LEU 42 0.874 -3.761 -1.308 142 HD13 LEU 42 HD13 LEU 42 2.268 -4.817 -1.542 143 HD21 LEU 42 HD21 LEU 42 4.303 -3.951 -2.669 144 HD22 LEU 42 HD22 LEU 42 4.391 -2.260 -3.164 145 HD23 LEU 42 HD23 LEU 42 3.371 -3.387 -4.058 146 H LEU 43 HN LEU 43 1.490 -2.007 0.469 147 HA LEU 43 HA LEU 43 -0.892 -3.580 0.473 148 HB2 LEU 43 HB2 LEU 43 1.188 -4.373 1.498 149 HB3 LEU 43 HB1 LEU 43 1.113 -3.075 2.674 150 HG LEU 43 HG LEU 43 -0.997 -4.041 3.559 151 HD11 LEU 43 HD11 LEU 43 -1.605 -6.327 2.916 152 HD12 LEU 43 HD12 LEU 43 -0.369 -6.296 1.658 153 HD13 LEU 43 HD13 LEU 43 -1.751 -5.204 1.564 154 HD21 LEU 43 HD21 LEU 43 1.364 -5.916 3.514 155 HD22 LEU 43 HD22 LEU 43 0.053 -5.933 4.694 156 HD23 LEU 43 HD23 LEU 43 1.144 -4.550 4.607 157 H LEU 44 HN LEU 44 0.012 -0.487 1.729 158 HA LEU 44 HA LEU 44 -2.131 -0.294 3.628 159 HB2 LEU 44 HB2 LEU 44 -0.397 1.073 4.253 160 HB3 LEU 44 HB1 LEU 44 0.030 1.470 2.601 161 HG LEU 44 HG LEU 44 -1.975 2.941 2.495 162 HD11 LEU 44 HD11 LEU 44 -2.106 2.399 5.458 163 HD12 LEU 44 HD12 LEU 44 -3.295 1.895 4.258 164 HD13 LEU 44 HD13 LEU 44 -3.047 3.609 4.589 165 HD21 LEU 44 HD21 LEU 44 0.253 3.837 2.944 166 HD22 LEU 44 HD22 LEU 44 0.009 3.582 4.672 167 HD23 LEU 44 HD23 LEU 44 -0.990 4.746 3.803 168 H THR 45 HN THR 45 -1.499 0.804 0.333 169 HA THR 45 HA THR 45 -3.907 2.299 0.076 170 HB THR 45 HB THR 45 -3.413 2.037 -2.434 171 HG1 THR 45 HG1 THR 45 -0.822 1.498 -2.120 172 HG21 THR 45 HG21 THR 45 -1.324 3.282 -0.642 173 HG22 THR 45 HG22 THR 45 -2.845 4.033 -1.131 174 HG23 THR 45 HG23 THR 45 -1.607 3.679 -2.337 175 H THR 46 HN THR 46 -3.095 -1.062 -0.295 176 HA THR 46 HA THR 46 -5.219 -1.849 -1.970 177 HB THR 46 HB THR 46 -3.816 -3.465 0.172 178 HG1 THR 46 HG1 THR 46 -2.967 -2.527 -2.178 179 HG21 THR 46 HG21 THR 46 -4.598 -5.423 -1.076 180 HG22 THR 46 HG22 THR 46 -5.482 -4.370 -2.181 181 HG23 THR 46 HG23 THR 46 -5.955 -4.464 -0.485 182 H LEU 47 HN LEU 47 -4.928 -1.984 1.582 183 HA LEU 47 HA LEU 47 -7.652 -2.719 1.961 184 HB2 LEU 47 HB2 LEU 47 -5.334 -2.006 3.673 185 HB3 LEU 47 HB1 LEU 47 -6.925 -1.842 4.376 186 HG LEU 47 HG LEU 47 -7.377 -4.220 3.881 187 HD11 LEU 47 HD11 LEU 47 -4.491 -4.293 3.012 188 HD12 LEU 47 HD12 LEU 47 -5.890 -4.447 1.949 189 HD13 LEU 47 HD13 LEU 47 -5.571 -5.679 3.169 190 HD21 LEU 47 HD21 LEU 47 -5.915 -5.143 5.592 191 HD22 LEU 47 HD22 LEU 47 -6.487 -3.543 6.061 192 HD23 LEU 47 HD23 LEU 47 -4.846 -3.749 5.451 193 H PHE 48 HN PHE 48 -5.836 0.285 1.996 194 HA PHE 48 HA PHE 48 -7.825 1.942 3.114 195 HB2 PHE 48 HB2 PHE 48 -5.452 2.590 2.939 196 HB3 PHE 48 HB1 PHE 48 -5.605 2.658 1.187 197 HD1 PHE 48 HD1 PHE 48 -6.331 4.603 0.123 198 HD2 PHE 48 HD2 PHE 48 -6.853 4.183 4.325 199 HE1 PHE 48 HE1 PHE 48 -7.019 6.960 0.271 200 HE2 PHE 48 HE2 PHE 48 -7.542 6.538 4.482 201 HZ PHE 48 HZ PHE 48 -7.606 7.938 2.448 202 H CYS 49 HN CYS 49 -7.250 0.764 -0.123 203 HA CYS 49 HA CYS 49 -9.060 2.581 -1.402 204 HB2 CYS 49 HB2 CYS 49 -7.223 1.592 -2.662 205 HB3 CYS 49 HB1 CYS 49 -7.854 -0.023 -2.362 206 HG CYS 49 HG CYS 49 -8.481 0.372 -4.957 207 H LEU 50 HN LEU 50 -9.203 -0.807 -0.364 208 HA LEU 50 HA LEU 50 -11.778 -1.379 -1.323 209 HB2 LEU 50 HB2 LEU 50 -10.327 -2.523 1.070 210 HB3 LEU 50 HB1 LEU 50 -11.764 -3.220 0.329 211 HG LEU 50 HG LEU 50 -9.197 -2.829 -1.201 212 HD11 LEU 50 HD11 LEU 50 -8.688 -5.166 -0.758 213 HD12 LEU 50 HD12 LEU 50 -10.092 -5.286 0.302 214 HD13 LEU 50 HD13 LEU 50 -8.739 -4.243 0.743 215 HD21 LEU 50 HD21 LEU 50 -11.594 -4.607 -1.630 216 HD22 LEU 50 HD22 LEU 50 -10.160 -4.541 -2.654 217 HD23 LEU 50 HD23 LEU 50 -11.220 -3.136 -2.528 218 H LEU 51 HN LEU 51 -10.654 0.190 1.587 219 HA LEU 51 HA LEU 51 -13.232 0.177 2.872 220 HB2 LEU 51 HB2 LEU 51 -10.672 1.645 3.502 221 HB3 LEU 51 HB1 LEU 51 -12.109 1.700 4.504 222 HG LEU 51 HG LEU 51 -10.547 -0.809 3.885 223 HD11 LEU 51 HD11 LEU 51 -9.761 -0.662 6.190 224 HD12 LEU 51 HD12 LEU 51 -10.596 0.879 6.383 225 HD13 LEU 51 HD13 LEU 51 -9.249 0.742 5.253 226 HD21 LEU 51 HD21 LEU 51 -12.904 -1.230 4.340 227 HD22 LEU 51 HD22 LEU 51 -12.798 -0.283 5.823 228 HD23 LEU 51 HD23 LEU 51 -11.898 -1.792 5.675 229 H HIS 52 HN HIS 52 -11.460 2.268 0.745 230 HA HIS 52 HA HIS 52 -12.983 4.630 1.280 231 HB2 HIS 52 HB2 HIS 52 -10.618 4.464 0.272 232 HB3 HIS 52 HB1 HIS 52 -11.436 4.118 -1.249 233 HD1 HIS 52 HD1 HIS 52 -12.544 6.070 -2.461 234 HD2 HIS 52 HD2 HIS 52 -10.980 7.101 1.247 235 HE1 HIS 52 HE1 HIS 52 -12.626 8.582 -2.370 236 HE2 HIS 52 HE2 HIS 52 -11.561 9.184 -0.169 237 H PHE 53 HN PHE 53 -13.214 1.972 -1.006 238 HA PHE 53 HA PHE 53 -15.454 3.274 -2.361 239 HB2 PHE 53 HB2 PHE 53 -13.844 0.802 -2.976 240 HB3 PHE 53 HB1 PHE 53 -15.323 1.197 -3.842 241 HD1 PHE 53 HD1 PHE 53 -15.373 3.722 -4.722 242 HD2 PHE 53 HD2 PHE 53 -11.867 1.448 -3.925 243 HE1 PHE 53 HE1 PHE 53 -14.094 5.169 -6.247 244 HE2 PHE 53 HE2 PHE 53 -10.580 2.891 -5.448 245 HZ PHE 53 HZ PHE 53 -11.693 4.752 -6.612 246 H GLY 54 HN GLY 54 -14.787 0.850 -0.016 247 HA2 GLY 54 HA2 GLY 54 -16.180 -0.421 1.292 248 HA3 GLY 54 HA1 GLY 54 -17.506 0.568 0.701 249 H VAL 55 HN VAL 55 -15.471 -1.218 -1.494 250 HA VAL 55 HA VAL 55 -17.549 -2.454 -2.836 251 HB VAL 55 HB VAL 55 -15.704 -4.109 -3.567 252 HG11 VAL 55 HG11 VAL 55 -14.695 -2.403 -5.028 253 HG12 VAL 55 HG12 VAL 55 -15.427 -1.144 -4.032 254 HG13 VAL 55 HG13 VAL 55 -16.451 -2.258 -4.939 255 HG21 VAL 55 HG21 VAL 55 -13.999 -2.063 -2.153 256 HG22 VAL 55 HG22 VAL 55 -13.432 -3.424 -3.122 257 HG23 VAL 55 HG23 VAL 55 -14.264 -3.714 -1.595 258 H ILE 56 HN ILE 56 -15.617 -3.633 -0.137 259 HA ILE 56 HA ILE 56 -17.605 -5.753 0.263 260 HB ILE 56 HB ILE 56 -15.483 -7.053 1.199 261 HG12 ILE 56 HG12 ILE 56 -13.610 -6.800 -0.453 262 HG13 ILE 56 HG11 ILE 56 -14.399 -5.344 -1.046 263 HG21 ILE 56 HG21 ILE 56 -15.441 -8.312 -0.904 264 HG22 ILE 56 HG22 ILE 56 -16.318 -7.004 -1.699 265 HG23 ILE 56 HG23 ILE 56 -17.088 -7.925 -0.405 266 HD11 ILE 56 HD11 ILE 56 -13.395 -5.774 1.756 267 HD12 ILE 56 HD12 ILE 56 -14.147 -4.304 1.136 268 HD13 ILE 56 HD13 ILE 56 -12.589 -4.835 0.501 269 H GLY 57 HN GLY 57 -16.222 -3.106 1.473 270 HA2 GLY 57 HA2 GLY 57 -16.805 -3.925 4.233 271 HA3 GLY 57 HA1 GLY 57 -15.271 -3.141 3.886 272 HA PRO 58 HA PRO 58 -18.697 0.201 3.051 273 HB2 PRO 58 HB2 PRO 58 -21.092 -0.958 4.303 274 HB3 PRO 58 HB1 PRO 58 -20.910 -0.201 2.718 275 HG2 PRO 58 HG2 PRO 58 -21.297 -2.845 2.985 276 HG3 PRO 58 HG1 PRO 58 -20.274 -2.172 1.701 277 HD2 PRO 58 HD2 PRO 58 -19.471 -3.425 4.303 278 HD3 PRO 58 HD1 PRO 58 -18.761 -3.634 2.687 279 H GLN 59 HN GLN 59 -17.659 1.400 4.574 280 HA GLN 59 HA GLN 59 -17.948 0.929 7.386 281 HB2 GLN 59 HB2 GLN 59 -16.748 3.234 5.845 282 HB3 GLN 59 HB1 GLN 59 -16.696 3.090 7.597 283 HG2 GLN 59 HG2 GLN 59 -15.392 1.067 7.433 284 HG3 GLN 59 HG1 GLN 59 -15.521 1.094 5.675 285 HE21 GLN 59 HE21 GLN 59 -15.205 3.994 5.544 286 HE22 GLN 59 HE22 GLN 59 -13.530 4.305 5.830 287 H ARG 60 HN ARG 60 -19.959 2.299 5.126 288 HA ARG 60 HA ARG 60 -20.994 4.488 6.647 289 HB2 ARG 60 HB2 ARG 60 -21.170 4.362 4.180 290 HB3 ARG 60 HB1 ARG 60 -22.259 2.992 4.344 291 HG2 ARG 60 HG2 ARG 60 -23.857 4.414 5.538 292 HG3 ARG 60 HG1 ARG 60 -22.768 5.787 5.343 293 HD2 ARG 60 HD2 ARG 60 -22.939 5.533 2.894 294 HD3 ARG 60 HD1 ARG 60 -24.090 4.217 3.132 295 HE ARG 60 HE ARG 60 -24.878 6.635 4.447 296 HH11 ARG 60 HH11 ARG 60 -24.874 4.939 1.404 297 HH12 ARG 60 HH12 ARG 60 -26.265 5.771 0.792 298 HH21 ARG 60 HH21 ARG 60 -26.705 7.738 3.647 299 HH22 ARG 60 HH22 ARG 60 -27.302 7.362 2.065 Start of MODEL 6 1 H1 ARG 28 HT1 ARG 28 23.264 5.675 4.170 2 H2 ARG 28 HT2 ARG 28 23.001 6.442 2.686 3 H3 ARG 28 HT3 ARG 28 24.534 6.486 3.399 4 HA ARG 28 HA ARG 28 24.444 4.914 1.564 5 HB2 ARG 28 HB2 ARG 28 24.733 3.606 4.276 6 HB3 ARG 28 HB1 ARG 28 25.410 3.009 2.767 7 HG2 ARG 28 HG2 ARG 28 26.122 5.652 4.017 8 HG3 ARG 28 HG1 ARG 28 27.047 4.163 4.224 9 HD2 ARG 28 HD2 ARG 28 27.414 4.060 1.806 10 HD3 ARG 28 HD1 ARG 28 26.487 5.545 1.600 11 HE ARG 28 HE ARG 28 28.348 6.408 3.250 12 HH11 ARG 28 HH11 ARG 28 28.680 4.310 0.487 13 HH12 ARG 28 HH12 ARG 28 30.303 4.809 0.142 14 HH21 ARG 28 HH21 ARG 28 30.483 7.069 2.804 15 HH22 ARG 28 HH22 ARG 28 31.327 6.376 1.460 16 H ARG 29 HN ARG 29 21.747 5.309 1.727 17 HA ARG 29 HA ARG 29 20.216 3.137 2.616 18 HB2 ARG 29 HB2 ARG 29 19.628 4.944 0.265 19 HB3 ARG 29 HB1 ARG 29 18.460 3.980 1.156 20 HG2 ARG 29 HG2 ARG 29 18.953 5.318 3.175 21 HG3 ARG 29 HG1 ARG 29 20.028 6.328 2.203 22 HD2 ARG 29 HD2 ARG 29 18.107 6.857 0.726 23 HD3 ARG 29 HD1 ARG 29 17.062 5.947 1.815 24 HE ARG 29 HE ARG 29 18.520 7.971 3.191 25 HH11 ARG 29 HH11 ARG 29 15.753 7.413 1.148 26 HH12 ARG 29 HH12 ARG 29 14.891 8.804 1.718 27 HH21 ARG 29 HH21 ARG 29 17.393 9.806 3.944 28 HH22 ARG 29 HH22 ARG 29 15.824 10.164 3.305 29 H CYS 30 HN CYS 30 19.975 1.129 1.884 30 HA CYS 30 HA CYS 30 21.394 0.303 -0.502 31 HB2 CYS 30 HB2 CYS 30 19.760 -1.318 1.463 32 HB3 CYS 30 HB1 CYS 30 20.787 -1.976 0.196 33 HG CYS 30 HG CYS 30 21.581 -1.058 3.256 34 H LEU 31 HN LEU 31 20.453 -0.824 -2.251 35 HA LEU 31 HA LEU 31 18.007 0.269 -3.169 36 HB2 LEU 31 HB2 LEU 31 19.512 -2.119 -4.241 37 HB3 LEU 31 HB1 LEU 31 18.289 -1.198 -5.095 38 HG LEU 31 HG LEU 31 20.986 -0.146 -4.233 39 HD11 LEU 31 HD11 LEU 31 19.943 -0.850 -6.973 40 HD12 LEU 31 HD12 LEU 31 21.127 -1.778 -6.052 41 HD13 LEU 31 HD13 LEU 31 21.520 -0.150 -6.604 42 HD21 LEU 31 HD21 LEU 31 19.309 1.607 -4.234 43 HD22 LEU 31 HD22 LEU 31 18.786 1.135 -5.851 44 HD23 LEU 31 HD23 LEU 31 20.399 1.806 -5.606 45 H PHE 32 HN PHE 32 18.760 -2.449 -1.243 46 HA PHE 32 HA PHE 32 16.306 -3.873 -1.844 47 HB2 PHE 32 HB2 PHE 32 18.473 -4.388 0.202 48 HB3 PHE 32 HB1 PHE 32 17.088 -5.440 -0.072 49 HD1 PHE 32 HD1 PHE 32 16.883 -6.689 -2.185 50 HD2 PHE 32 HD2 PHE 32 20.341 -4.385 -1.267 51 HE1 PHE 32 HE1 PHE 32 18.134 -7.871 -3.944 52 HE2 PHE 32 HE2 PHE 32 21.597 -5.562 -3.023 53 HZ PHE 32 HZ PHE 32 20.491 -7.319 -4.358 54 H LEU 33 HN LEU 33 17.696 -1.993 0.811 55 HA LEU 33 HA LEU 33 15.533 -2.337 2.603 56 HB2 LEU 33 HB2 LEU 33 17.541 -0.097 2.465 57 HB3 LEU 33 HB1 LEU 33 16.503 -0.458 3.830 58 HG LEU 33 HG LEU 33 18.813 -2.093 2.794 59 HD11 LEU 33 HD11 LEU 33 19.671 -1.757 5.053 60 HD12 LEU 33 HD12 LEU 33 18.239 -0.809 5.455 61 HD13 LEU 33 HD13 LEU 33 19.375 -0.218 4.242 62 HD21 LEU 33 HD21 LEU 33 16.766 -2.841 4.882 63 HD22 LEU 33 HD22 LEU 33 18.278 -3.700 4.589 64 HD23 LEU 33 HD23 LEU 33 17.038 -3.647 3.336 65 H SER 34 HN SER 34 16.055 -0.242 -0.104 66 HA SER 34 HA SER 34 14.021 1.659 0.633 67 HB2 SER 34 HB2 SER 34 14.402 2.592 -1.625 68 HB3 SER 34 HB1 SER 34 15.914 2.375 -0.743 69 HG SER 34 HG SER 34 15.876 1.622 -2.989 70 H LEU 35 HN LEU 35 14.233 -1.262 -1.264 71 HA LEU 35 HA LEU 35 11.686 -0.926 -2.552 72 HB2 LEU 35 HB2 LEU 35 13.901 -2.525 -2.964 73 HB3 LEU 35 HB1 LEU 35 12.709 -3.658 -2.359 74 HG LEU 35 HG LEU 35 12.689 -3.621 -4.784 75 HD11 LEU 35 HD11 LEU 35 10.322 -3.175 -5.161 76 HD12 LEU 35 HD12 LEU 35 10.237 -2.302 -3.631 77 HD13 LEU 35 HD13 LEU 35 10.579 -4.032 -3.641 78 HD21 LEU 35 HD21 LEU 35 12.006 -0.695 -4.531 79 HD22 LEU 35 HD22 LEU 35 12.055 -1.626 -6.028 80 HD23 LEU 35 HD23 LEU 35 13.536 -1.353 -5.111 81 H PHE 36 HN PHE 36 12.637 -1.764 0.550 82 HA PHE 36 HA PHE 36 10.569 -3.683 1.107 83 HB2 PHE 36 HB2 PHE 36 12.760 -3.595 2.321 84 HB3 PHE 36 HB1 PHE 36 12.226 -2.096 3.074 85 HD1 PHE 36 HD1 PHE 36 11.532 -5.709 2.794 86 HD2 PHE 36 HD2 PHE 36 10.770 -2.106 4.926 87 HE1 PHE 36 HE1 PHE 36 10.426 -7.001 4.574 88 HE2 PHE 36 HE2 PHE 36 9.664 -3.390 6.708 89 HZ PHE 36 HZ PHE 36 9.499 -5.850 6.532 90 H SER 37 HN SER 37 10.818 -0.251 1.055 91 HA SER 37 HA SER 37 8.685 0.290 2.885 92 HB2 SER 37 HB2 SER 37 9.977 2.019 0.764 93 HB3 SER 37 HB1 SER 37 8.795 2.597 1.938 94 HG SER 37 HG SER 37 10.885 1.231 3.066 95 H PHE 38 HN PHE 38 8.967 0.027 -0.625 96 HA PHE 38 HA PHE 38 6.420 0.894 -1.344 97 HB2 PHE 38 HB2 PHE 38 8.178 -1.189 -2.652 98 HB3 PHE 38 HB1 PHE 38 6.749 -0.482 -3.398 99 HD1 PHE 38 HD1 PHE 38 6.822 1.647 -4.418 100 HD2 PHE 38 HD2 PHE 38 10.147 0.252 -2.160 101 HE1 PHE 38 HE1 PHE 38 8.185 3.499 -5.289 102 HE2 PHE 38 HE2 PHE 38 11.518 2.102 -3.028 103 HZ PHE 38 HZ PHE 38 10.538 3.730 -4.594 104 H LEU 39 HN LEU 39 7.459 -2.103 0.063 105 HA LEU 39 HA LEU 39 5.110 -3.586 -0.626 106 HB2 LEU 39 HB2 LEU 39 7.407 -4.525 -0.079 107 HB3 LEU 39 HB1 LEU 39 7.034 -4.210 1.604 108 HG LEU 39 HG LEU 39 5.144 -5.852 -0.019 109 HD11 LEU 39 HD11 LEU 39 7.708 -6.861 1.206 110 HD12 LEU 39 HD12 LEU 39 7.308 -6.831 -0.512 111 HD13 LEU 39 HD13 LEU 39 6.404 -7.874 0.586 112 HD21 LEU 39 HD21 LEU 39 6.003 -5.905 2.872 113 HD22 LEU 39 HD22 LEU 39 4.769 -6.933 2.145 114 HD23 LEU 39 HD23 LEU 39 4.519 -5.190 2.244 115 H ILE 40 HN ILE 40 6.267 -1.999 2.344 116 HA ILE 40 HA ILE 40 4.125 -2.674 3.999 117 HB ILE 40 HB ILE 40 5.705 -0.100 4.083 118 HG12 ILE 40 HG12 ILE 40 6.263 -2.713 5.505 119 HG13 ILE 40 HG11 ILE 40 7.108 -2.178 4.055 120 HG21 ILE 40 HG21 ILE 40 5.146 -0.113 6.470 121 HG22 ILE 40 HG22 ILE 40 4.175 -1.565 6.232 122 HG23 ILE 40 HG23 ILE 40 3.699 -0.051 5.464 123 HD11 ILE 40 HD11 ILE 40 7.098 -0.763 6.712 124 HD12 ILE 40 HD12 ILE 40 7.955 -0.239 5.262 125 HD13 ILE 40 HD13 ILE 40 8.409 -1.744 6.060 126 H VAL 41 HN VAL 41 4.435 -0.187 1.563 127 HA VAL 41 HA VAL 41 1.990 1.156 2.313 128 HB VAL 41 HB VAL 41 3.645 1.469 -0.198 129 HG11 VAL 41 HG11 VAL 41 1.382 2.321 -0.457 130 HG12 VAL 41 HG12 VAL 41 2.535 3.652 -0.376 131 HG13 VAL 41 HG13 VAL 41 1.545 3.256 1.029 132 HG21 VAL 41 HG21 VAL 41 4.647 3.396 0.899 133 HG22 VAL 41 HG22 VAL 41 4.948 1.922 1.820 134 HG23 VAL 41 HG23 VAL 41 3.716 3.063 2.360 135 H LEU 42 HN LEU 42 3.004 -1.325 0.098 136 HA LEU 42 HA LEU 42 0.826 -1.266 -1.677 137 HB2 LEU 42 HB2 LEU 42 3.110 -2.560 -1.737 138 HB3 LEU 42 HB1 LEU 42 2.189 -3.824 -0.935 139 HG LEU 42 HG LEU 42 2.359 -4.161 -3.371 140 HD11 LEU 42 HD11 LEU 42 -0.454 -3.570 -2.472 141 HD12 LEU 42 HD12 LEU 42 0.443 -5.045 -2.112 142 HD13 LEU 42 HD13 LEU 42 0.031 -4.648 -3.780 143 HD21 LEU 42 HD21 LEU 42 2.416 -1.821 -4.062 144 HD22 LEU 42 HD22 LEU 42 0.735 -1.627 -3.565 145 HD23 LEU 42 HD23 LEU 42 1.141 -2.705 -4.900 146 H LEU 43 HN LEU 43 1.388 -3.188 1.265 147 HA LEU 43 HA LEU 43 -1.036 -4.605 1.196 148 HB2 LEU 43 HB2 LEU 43 0.924 -3.941 3.358 149 HB3 LEU 43 HB1 LEU 43 -0.596 -4.707 3.771 150 HG LEU 43 HG LEU 43 1.173 -6.361 3.569 151 HD11 LEU 43 HD11 LEU 43 -1.112 -6.992 2.949 152 HD12 LEU 43 HD12 LEU 43 0.093 -7.888 2.024 153 HD13 LEU 43 HD13 LEU 43 -0.774 -6.547 1.275 154 HD21 LEU 43 HD21 LEU 43 2.614 -5.176 1.996 155 HD22 LEU 43 HD22 LEU 43 1.428 -5.422 0.714 156 HD23 LEU 43 HD23 LEU 43 2.256 -6.806 1.428 157 H LEU 44 HN LEU 44 -0.187 -1.525 2.743 158 HA LEU 44 HA LEU 44 -2.628 -1.155 4.096 159 HB2 LEU 44 HB2 LEU 44 -0.537 0.778 3.132 160 HB3 LEU 44 HB1 LEU 44 -1.970 1.311 3.987 161 HG LEU 44 HG LEU 44 0.147 -0.548 5.075 162 HD11 LEU 44 HD11 LEU 44 0.947 1.720 4.920 163 HD12 LEU 44 HD12 LEU 44 0.601 1.338 6.607 164 HD13 LEU 44 HD13 LEU 44 -0.526 2.326 5.676 165 HD21 LEU 44 HD21 LEU 44 -1.060 -0.304 7.206 166 HD22 LEU 44 HD22 LEU 44 -2.032 -1.115 5.977 167 HD23 LEU 44 HD23 LEU 44 -2.336 0.579 6.367 168 H THR 45 HN THR 45 -1.563 -0.100 0.873 169 HA THR 45 HA THR 45 -3.800 1.468 0.255 170 HB THR 45 HB THR 45 -3.213 0.954 -2.163 171 HG1 THR 45 HG1 THR 45 -0.811 -0.147 -1.238 172 HG21 THR 45 HG21 THR 45 -1.094 2.220 -2.059 173 HG22 THR 45 HG22 THR 45 -1.056 1.973 -0.313 174 HG23 THR 45 HG23 THR 45 -2.353 2.921 -1.043 175 H THR 46 HN THR 46 -3.444 -1.960 0.401 176 HA THR 46 HA THR 46 -5.513 -2.706 -1.369 177 HB THR 46 HB THR 46 -4.557 -4.185 1.092 178 HG1 THR 46 HG1 THR 46 -3.179 -5.243 -0.397 179 HG21 THR 46 HG21 THR 46 -5.413 -6.177 -0.050 180 HG22 THR 46 HG22 THR 46 -6.009 -5.170 -1.367 181 HG23 THR 46 HG23 THR 46 -6.703 -5.012 0.246 182 H LEU 47 HN LEU 47 -5.540 -2.545 2.199 183 HA LEU 47 HA LEU 47 -8.388 -2.758 2.311 184 HB2 LEU 47 HB2 LEU 47 -6.150 -2.520 4.242 185 HB3 LEU 47 HB1 LEU 47 -7.740 -2.045 4.792 186 HG LEU 47 HG LEU 47 -8.599 -4.285 4.197 187 HD11 LEU 47 HD11 LEU 47 -7.012 -4.810 2.423 188 HD12 LEU 47 HD12 LEU 47 -7.032 -6.072 3.656 189 HD13 LEU 47 HD13 LEU 47 -5.710 -4.905 3.609 190 HD21 LEU 47 HD21 LEU 47 -7.855 -3.828 6.473 191 HD22 LEU 47 HD22 LEU 47 -6.211 -4.295 6.039 192 HD23 LEU 47 HD23 LEU 47 -7.504 -5.495 6.019 193 H PHE 48 HN PHE 48 -6.139 -0.168 2.046 194 HA PHE 48 HA PHE 48 -7.826 1.835 3.224 195 HB2 PHE 48 HB2 PHE 48 -5.415 2.141 3.251 196 HB3 PHE 48 HB1 PHE 48 -5.356 2.093 1.495 197 HD1 PHE 48 HD1 PHE 48 -5.762 4.023 0.210 198 HD2 PHE 48 HD2 PHE 48 -6.553 4.050 4.391 199 HE1 PHE 48 HE1 PHE 48 -6.055 6.464 0.135 200 HE2 PHE 48 HE2 PHE 48 -6.849 6.492 4.323 201 HZ PHE 48 HZ PHE 48 -6.619 7.700 2.200 202 H CYS 49 HN CYS 49 -7.204 0.637 -0.024 203 HA CYS 49 HA CYS 49 -8.692 2.716 -1.320 204 HB2 CYS 49 HB2 CYS 49 -7.614 0.063 -2.262 205 HB3 CYS 49 HB1 CYS 49 -8.560 1.117 -3.306 206 HG CYS 49 HG CYS 49 -6.177 1.823 -4.190 207 H LEU 50 HN LEU 50 -9.360 -0.562 -0.228 208 HA LEU 50 HA LEU 50 -11.855 -0.923 -1.442 209 HB2 LEU 50 HB2 LEU 50 -10.755 -2.009 1.151 210 HB3 LEU 50 HB1 LEU 50 -12.262 -2.556 0.421 211 HG LEU 50 HG LEU 50 -9.616 -2.713 -1.014 212 HD11 LEU 50 HD11 LEU 50 -9.495 -5.042 -0.345 213 HD12 LEU 50 HD12 LEU 50 -10.955 -4.860 0.626 214 HD13 LEU 50 HD13 LEU 50 -9.484 -3.996 1.073 215 HD21 LEU 50 HD21 LEU 50 -11.616 -2.814 -2.411 216 HD22 LEU 50 HD22 LEU 50 -12.247 -4.129 -1.420 217 HD23 LEU 50 HD23 LEU 50 -10.783 -4.369 -2.374 218 H LEU 51 HN LEU 51 -10.940 0.738 1.515 219 HA LEU 51 HA LEU 51 -13.660 1.120 2.386 220 HB2 LEU 51 HB2 LEU 51 -11.080 2.370 3.329 221 HB3 LEU 51 HB1 LEU 51 -12.637 2.585 4.106 222 HG LEU 51 HG LEU 51 -11.236 -0.073 3.806 223 HD11 LEU 51 HD11 LEU 51 -9.962 1.378 5.266 224 HD12 LEU 51 HD12 LEU 51 -10.779 0.134 6.211 225 HD13 LEU 51 HD13 LEU 51 -11.418 1.777 6.178 226 HD21 LEU 51 HD21 LEU 51 -13.670 0.764 5.379 227 HD22 LEU 51 HD22 LEU 51 -12.891 -0.816 5.469 228 HD23 LEU 51 HD23 LEU 51 -13.646 -0.290 3.965 229 H HIS 52 HN HIS 52 -11.361 2.827 0.429 230 HA HIS 52 HA HIS 52 -12.659 5.377 0.604 231 HB2 HIS 52 HB2 HIS 52 -10.232 5.084 0.084 232 HB3 HIS 52 HB1 HIS 52 -10.691 4.418 -1.479 233 HD1 HIS 52 HD1 HIS 52 -10.539 7.630 0.432 234 HD2 HIS 52 HD2 HIS 52 -11.542 6.294 -3.373 235 HE1 HIS 52 HE1 HIS 52 -10.735 9.703 -0.979 236 HE2 HIS 52 HE2 HIS 52 -11.387 8.873 -3.267 237 H PHE 53 HN PHE 53 -12.897 2.580 -1.480 238 HA PHE 53 HA PHE 53 -14.735 4.029 -3.248 239 HB2 PHE 53 HB2 PHE 53 -13.258 1.421 -3.564 240 HB3 PHE 53 HB1 PHE 53 -14.553 1.905 -4.652 241 HD1 PHE 53 HD1 PHE 53 -14.299 4.035 -5.961 242 HD2 PHE 53 HD2 PHE 53 -11.078 2.247 -3.831 243 HE1 PHE 53 HE1 PHE 53 -12.697 5.329 -7.307 244 HE2 PHE 53 HE2 PHE 53 -9.469 3.539 -5.172 245 HZ PHE 53 HZ PHE 53 -10.278 5.082 -6.913 246 H GLY 54 HN GLY 54 -14.688 1.797 -0.680 247 HA2 GLY 54 HA2 GLY 54 -16.383 0.704 0.422 248 HA3 GLY 54 HA1 GLY 54 -17.508 1.672 -0.520 249 H VAL 55 HN VAL 55 -15.161 -0.392 -2.059 250 HA VAL 55 HA VAL 55 -17.343 -2.023 -3.098 251 HB VAL 55 HB VAL 55 -15.554 -2.798 -4.711 252 HG11 VAL 55 HG11 VAL 55 -15.811 -0.791 -6.132 253 HG12 VAL 55 HG12 VAL 55 -16.443 0.080 -4.734 254 HG13 VAL 55 HG13 VAL 55 -17.325 -1.302 -5.386 255 HG21 VAL 55 HG21 VAL 55 -14.136 -0.402 -3.568 256 HG22 VAL 55 HG22 VAL 55 -13.680 -1.216 -5.064 257 HG23 VAL 55 HG23 VAL 55 -13.586 -2.076 -3.528 258 H ILE 56 HN ILE 56 -17.392 -3.128 -1.063 259 HA ILE 56 HA ILE 56 -15.322 -4.673 -0.012 260 HB ILE 56 HB ILE 56 -17.330 -6.143 0.839 261 HG12 ILE 56 HG12 ILE 56 -19.430 -4.912 0.976 262 HG13 ILE 56 HG11 ILE 56 -18.744 -3.580 0.058 263 HG21 ILE 56 HG21 ILE 56 -15.958 -4.737 2.245 264 HG22 ILE 56 HG22 ILE 56 -17.658 -4.535 2.672 265 HG23 ILE 56 HG23 ILE 56 -16.837 -3.303 1.713 266 HD11 ILE 56 HD11 ILE 56 -18.565 -5.000 -1.902 267 HD12 ILE 56 HD12 ILE 56 -20.220 -4.979 -1.294 268 HD13 ILE 56 HD13 ILE 56 -19.183 -6.371 -0.981 269 H GLY 57 HN GLY 57 -16.704 -5.026 -2.960 270 HA2 GLY 57 HA2 GLY 57 -15.603 -7.696 -3.251 271 HA3 GLY 57 HA1 GLY 57 -17.334 -7.568 -3.523 272 HA PRO 58 HA PRO 58 -16.888 -6.282 -7.705 273 HB2 PRO 58 HB2 PRO 58 -18.087 -3.622 -7.163 274 HB3 PRO 58 HB1 PRO 58 -18.605 -4.883 -8.288 275 HG2 PRO 58 HG2 PRO 58 -19.951 -4.432 -6.031 276 HG3 PRO 58 HG1 PRO 58 -19.716 -6.080 -6.641 277 HD2 PRO 58 HD2 PRO 58 -18.301 -4.661 -4.419 278 HD3 PRO 58 HD1 PRO 58 -18.842 -6.350 -4.515 279 H GLN 59 HN GLN 59 -14.613 -6.099 -7.705 280 HA GLN 59 HA GLN 59 -13.497 -3.422 -7.294 281 HB2 GLN 59 HB2 GLN 59 -11.299 -4.557 -7.431 282 HB3 GLN 59 HB1 GLN 59 -12.319 -5.203 -6.153 283 HG2 GLN 59 HG2 GLN 59 -12.902 -7.102 -7.559 284 HG3 GLN 59 HG1 GLN 59 -11.916 -6.447 -8.865 285 HE21 GLN 59 HE21 GLN 59 -11.704 -8.992 -7.456 286 HE22 GLN 59 HE22 GLN 59 -10.110 -9.042 -6.792 287 H ARG 60 HN ARG 60 -15.147 -4.235 -9.624 288 HA ARG 60 HA ARG 60 -13.432 -4.481 -11.886 289 HB2 ARG 60 HB2 ARG 60 -16.331 -3.650 -11.673 290 HB3 ARG 60 HB1 ARG 60 -15.495 -3.966 -13.188 291 HG2 ARG 60 HG2 ARG 60 -15.131 -6.273 -12.536 292 HG3 ARG 60 HG1 ARG 60 -15.901 -5.969 -10.977 293 HD2 ARG 60 HD2 ARG 60 -17.230 -5.701 -13.672 294 HD3 ARG 60 HD1 ARG 60 -17.421 -7.065 -12.571 295 HE ARG 60 HE ARG 60 -18.132 -4.407 -11.592 296 HH11 ARG 60 HH11 ARG 60 -19.134 -7.543 -12.730 297 HH12 ARG 60 HH12 ARG 60 -20.756 -7.380 -12.147 298 HH21 ARG 60 HH21 ARG 60 -20.269 -4.181 -10.823 299 HH22 ARG 60 HH22 ARG 60 -21.402 -5.468 -11.065 Start of MODEL 7 1 H1 ARG 28 HT1 ARG 28 24.255 0.001 5.119 2 H2 ARG 28 HT2 ARG 28 22.977 0.751 5.932 3 H3 ARG 28 HT3 ARG 28 24.449 1.562 5.741 4 HA ARG 28 HA ARG 28 22.811 2.422 4.215 5 HB2 ARG 28 HB2 ARG 28 24.993 0.792 2.901 6 HB3 ARG 28 HB1 ARG 28 24.098 2.087 2.117 7 HG2 ARG 28 HG2 ARG 28 24.976 3.690 3.719 8 HG3 ARG 28 HG1 ARG 28 25.841 2.397 4.552 9 HD2 ARG 28 HD2 ARG 28 27.164 1.976 2.551 10 HD3 ARG 28 HD1 ARG 28 26.275 3.229 1.684 11 HE ARG 28 HE ARG 28 27.409 4.327 4.012 12 HH11 ARG 28 HH11 ARG 28 28.340 3.104 0.884 13 HH12 ARG 28 HH12 ARG 28 29.755 4.096 0.775 14 HH21 ARG 28 HH21 ARG 28 29.265 5.637 3.876 15 HH22 ARG 28 HH22 ARG 28 30.280 5.538 2.477 16 H ARG 29 HN ARG 29 20.952 2.035 3.227 17 HA ARG 29 HA ARG 29 20.102 -0.693 2.785 18 HB2 ARG 29 HB2 ARG 29 18.722 1.975 2.542 19 HB3 ARG 29 HB1 ARG 29 17.953 0.477 2.041 20 HG2 ARG 29 HG2 ARG 29 17.189 0.972 4.228 21 HG3 ARG 29 HG1 ARG 29 18.306 -0.387 4.359 22 HD2 ARG 29 HD2 ARG 29 20.066 1.076 5.123 23 HD3 ARG 29 HD1 ARG 29 19.052 2.493 4.857 24 HE ARG 29 HE ARG 29 17.636 0.946 6.607 25 HH11 ARG 29 HH11 ARG 29 20.835 2.329 6.574 26 HH12 ARG 29 HH12 ARG 29 20.908 2.521 8.294 27 HH21 ARG 29 HH21 ARG 29 17.723 1.202 8.870 28 HH22 ARG 29 HH22 ARG 29 19.141 1.882 9.598 29 H CYS 30 HN CYS 30 19.761 -1.685 0.863 30 HA CYS 30 HA CYS 30 20.794 -0.315 -1.514 31 HB2 CYS 30 HB2 CYS 30 20.982 -2.569 -2.488 32 HB3 CYS 30 HB1 CYS 30 21.850 -2.449 -0.962 33 HG CYS 30 HG CYS 30 18.939 -4.107 -1.593 34 H LEU 31 HN LEU 31 19.655 -1.611 -3.566 35 HA LEU 31 HA LEU 31 17.175 -0.370 -3.873 36 HB2 LEU 31 HB2 LEU 31 18.581 -1.069 -5.752 37 HB3 LEU 31 HB1 LEU 31 18.293 -2.752 -5.354 38 HG LEU 31 HG LEU 31 15.874 -2.409 -5.842 39 HD11 LEU 31 HD11 LEU 31 15.192 -0.407 -7.059 40 HD12 LEU 31 HD12 LEU 31 16.801 0.282 -6.836 41 HD13 LEU 31 HD13 LEU 31 15.764 -0.008 -5.439 42 HD21 LEU 31 HD21 LEU 31 16.131 -2.356 -8.267 43 HD22 LEU 31 HD22 LEU 31 17.386 -3.344 -7.518 44 HD23 LEU 31 HD23 LEU 31 17.765 -1.719 -8.088 45 H PHE 32 HN PHE 32 17.978 -3.685 -2.949 46 HA PHE 32 HA PHE 32 15.367 -4.723 -2.974 47 HB2 PHE 32 HB2 PHE 32 17.750 -5.545 -1.301 48 HB3 PHE 32 HB1 PHE 32 16.279 -6.492 -1.492 49 HD1 PHE 32 HD1 PHE 32 15.895 -7.799 -3.433 50 HD2 PHE 32 HD2 PHE 32 19.259 -5.200 -3.228 51 HE1 PHE 32 HE1 PHE 32 16.840 -8.869 -5.438 52 HE2 PHE 32 HE2 PHE 32 20.208 -6.264 -5.233 53 HZ PHE 32 HZ PHE 32 18.998 -8.100 -6.341 54 H LEU 33 HN LEU 33 17.305 -3.502 -0.239 55 HA LEU 33 HA LEU 33 15.332 -3.762 1.717 56 HB2 LEU 33 HB2 LEU 33 17.635 -1.838 1.513 57 HB3 LEU 33 HB1 LEU 33 16.633 -2.009 2.944 58 HG LEU 33 HG LEU 33 18.356 -4.169 1.726 59 HD11 LEU 33 HD11 LEU 33 19.642 -3.930 3.809 60 HD12 LEU 33 HD12 LEU 33 18.637 -2.546 4.242 61 HD13 LEU 33 HD13 LEU 33 19.672 -2.472 2.816 62 HD21 LEU 33 HD21 LEU 33 16.339 -5.098 2.737 63 HD22 LEU 33 HD22 LEU 33 16.657 -4.198 4.220 64 HD23 LEU 33 HD23 LEU 33 17.762 -5.474 3.710 65 H SER 34 HN SER 34 15.875 -1.267 -0.670 66 HA SER 34 HA SER 34 14.158 0.682 0.487 67 HB2 SER 34 HB2 SER 34 15.076 0.334 -2.378 68 HB3 SER 34 HB1 SER 34 14.256 1.761 -1.745 69 HG SER 34 HG SER 34 16.650 1.786 -1.828 70 H LEU 35 HN LEU 35 13.691 -2.027 -1.674 71 HA LEU 35 HA LEU 35 11.055 -1.333 -2.497 72 HB2 LEU 35 HB2 LEU 35 12.946 -3.390 -3.040 73 HB3 LEU 35 HB1 LEU 35 11.438 -4.155 -2.578 74 HG LEU 35 HG LEU 35 11.700 -2.094 -4.769 75 HD11 LEU 35 HD11 LEU 35 11.426 -3.962 -6.312 76 HD12 LEU 35 HD12 LEU 35 11.444 -5.093 -4.959 77 HD13 LEU 35 HD13 LEU 35 12.886 -4.152 -5.341 78 HD21 LEU 35 HD21 LEU 35 9.442 -2.834 -5.372 79 HD22 LEU 35 HD22 LEU 35 9.492 -2.146 -3.748 80 HD23 LEU 35 HD23 LEU 35 9.418 -3.895 -3.964 81 H PHE 36 HN PHE 36 12.392 -2.731 0.330 82 HA PHE 36 HA PHE 36 10.156 -4.225 1.218 83 HB2 PHE 36 HB2 PHE 36 12.482 -4.461 2.101 84 HB3 PHE 36 HB1 PHE 36 12.296 -2.904 2.901 85 HD1 PHE 36 HD1 PHE 36 11.007 -6.366 2.779 86 HD2 PHE 36 HD2 PHE 36 11.212 -2.729 4.980 87 HE1 PHE 36 HE1 PHE 36 10.023 -7.496 4.731 88 HE2 PHE 36 HE2 PHE 36 10.228 -3.851 6.935 89 HZ PHE 36 HZ PHE 36 9.654 -6.239 6.823 90 H SER 37 HN SER 37 10.802 -0.869 1.066 91 HA SER 37 HA SER 37 8.926 -0.150 3.156 92 HB2 SER 37 HB2 SER 37 10.414 1.575 1.161 93 HB3 SER 37 HB1 SER 37 9.445 2.178 2.505 94 HG SER 37 HG SER 37 10.892 0.976 3.893 95 H PHE 38 HN PHE 38 9.096 -0.066 -0.380 96 HA PHE 38 HA PHE 38 6.625 1.225 -0.802 97 HB2 PHE 38 HB2 PHE 38 8.128 -0.695 -2.585 98 HB3 PHE 38 HB1 PHE 38 6.766 0.294 -3.098 99 HD1 PHE 38 HD1 PHE 38 7.117 2.897 -2.383 100 HD2 PHE 38 HD2 PHE 38 10.189 0.072 -3.216 101 HE1 PHE 38 HE1 PHE 38 8.652 4.736 -2.943 102 HE2 PHE 38 HE2 PHE 38 11.731 1.907 -3.773 103 HZ PHE 38 HZ PHE 38 10.962 4.243 -3.637 104 H LEU 39 HN LEU 39 7.390 -1.934 0.225 105 HA LEU 39 HA LEU 39 4.982 -3.177 -0.734 106 HB2 LEU 39 HB2 LEU 39 7.218 -4.313 -0.203 107 HB3 LEU 39 HB1 LEU 39 6.737 -4.207 1.479 108 HG LEU 39 HG LEU 39 4.870 -5.467 -0.467 109 HD11 LEU 39 HD11 LEU 39 7.031 -6.483 -0.974 110 HD12 LEU 39 HD12 LEU 39 5.960 -7.628 -0.167 111 HD13 LEU 39 HD13 LEU 39 7.263 -6.852 0.735 112 HD21 LEU 39 HD21 LEU 39 5.543 -5.938 2.434 113 HD22 LEU 39 HD22 LEU 39 4.359 -6.862 1.511 114 HD23 LEU 39 HD23 LEU 39 4.103 -5.142 1.798 115 H ILE 40 HN ILE 40 6.084 -1.616 2.188 116 HA ILE 40 HA ILE 40 3.837 -2.361 3.790 117 HB ILE 40 HB ILE 40 5.764 -0.068 4.192 118 HG12 ILE 40 HG12 ILE 40 5.850 -2.845 5.388 119 HG13 ILE 40 HG11 ILE 40 6.834 -2.332 4.022 120 HG21 ILE 40 HG21 ILE 40 3.948 -1.472 6.148 121 HG22 ILE 40 HG22 ILE 40 3.691 0.139 5.479 122 HG23 ILE 40 HG23 ILE 40 5.076 -0.170 6.527 123 HD11 ILE 40 HD11 ILE 40 8.079 -2.275 6.114 124 HD12 ILE 40 HD12 ILE 40 6.911 -1.134 6.782 125 HD13 ILE 40 HD13 ILE 40 7.920 -0.664 5.414 126 H VAL 41 HN VAL 41 4.665 0.351 1.717 127 HA VAL 41 HA VAL 41 2.457 1.984 2.496 128 HB VAL 41 HB VAL 41 4.612 2.793 1.408 129 HG11 VAL 41 HG11 VAL 41 4.602 2.882 -1.049 130 HG12 VAL 41 HG12 VAL 41 3.182 1.837 -1.060 131 HG13 VAL 41 HG13 VAL 41 4.712 1.237 -0.427 132 HG21 VAL 41 HG21 VAL 41 3.460 4.617 0.207 133 HG22 VAL 41 HG22 VAL 41 2.736 4.274 1.778 134 HG23 VAL 41 HG23 VAL 41 1.954 3.701 0.303 135 H LEU 42 HN LEU 42 2.957 -0.550 0.176 136 HA LEU 42 HA LEU 42 0.551 0.015 -1.315 137 HB2 LEU 42 HB2 LEU 42 2.792 -1.206 -2.039 138 HB3 LEU 42 HB1 LEU 42 1.933 -2.626 -1.455 139 HG LEU 42 HG LEU 42 0.897 -0.764 -3.599 140 HD11 LEU 42 HD11 LEU 42 1.473 -2.524 -5.171 141 HD12 LEU 42 HD12 LEU 42 2.172 -3.481 -3.865 142 HD13 LEU 42 HD13 LEU 42 2.910 -1.947 -4.326 143 HD21 LEU 42 HD21 LEU 42 -0.887 -1.897 -2.421 144 HD22 LEU 42 HD22 LEU 42 -0.069 -3.447 -2.617 145 HD23 LEU 42 HD23 LEU 42 -0.696 -2.595 -4.029 146 H LEU 43 HN LEU 43 1.627 -2.334 1.102 147 HA LEU 43 HA LEU 43 -0.586 -3.990 1.199 148 HB2 LEU 43 HB2 LEU 43 1.480 -4.430 2.427 149 HB3 LEU 43 HB1 LEU 43 1.160 -3.068 3.483 150 HG LEU 43 HG LEU 43 -0.907 -4.249 4.268 151 HD11 LEU 43 HD11 LEU 43 -1.063 -6.661 3.850 152 HD12 LEU 43 HD12 LEU 43 0.278 -6.543 2.712 153 HD13 LEU 43 HD13 LEU 43 -1.245 -5.723 2.369 154 HD21 LEU 43 HD21 LEU 43 1.169 -4.276 5.556 155 HD22 LEU 43 HD22 LEU 43 1.705 -5.702 4.668 156 HD23 LEU 43 HD23 LEU 43 0.293 -5.798 5.719 157 H LEU 44 HN LEU 44 -0.157 -0.769 2.475 158 HA LEU 44 HA LEU 44 -2.569 -0.818 4.051 159 HB2 LEU 44 HB2 LEU 44 -0.794 1.474 3.212 160 HB3 LEU 44 HB1 LEU 44 -2.137 1.609 4.329 161 HG LEU 44 HG LEU 44 0.367 -0.018 4.776 162 HD11 LEU 44 HD11 LEU 44 -0.584 2.557 6.017 163 HD12 LEU 44 HD12 LEU 44 0.765 2.377 4.897 164 HD13 LEU 44 HD13 LEU 44 0.848 1.649 6.501 165 HD21 LEU 44 HD21 LEU 44 -1.987 0.497 6.592 166 HD22 LEU 44 HD22 LEU 44 -0.503 -0.345 7.037 167 HD23 LEU 44 HD23 LEU 44 -1.583 -1.042 5.830 168 H THR 45 HN THR 45 -1.541 0.750 1.027 169 HA THR 45 HA THR 45 -3.930 2.060 0.448 170 HB THR 45 HB THR 45 -3.187 1.914 -1.967 171 HG1 THR 45 HG1 THR 45 -0.673 1.083 -1.300 172 HG21 THR 45 HG21 THR 45 -2.572 3.781 -0.500 173 HG22 THR 45 HG22 THR 45 -1.279 3.400 -1.638 174 HG23 THR 45 HG23 THR 45 -1.152 2.885 0.043 175 H THR 46 HN THR 46 -3.148 -1.301 0.243 176 HA THR 46 HA THR 46 -5.023 -2.098 -1.704 177 HB THR 46 HB THR 46 -4.028 -3.693 0.667 178 HG1 THR 46 HG1 THR 46 -2.783 -4.499 -1.433 179 HG21 THR 46 HG21 THR 46 -6.037 -4.640 -0.419 180 HG22 THR 46 HG22 THR 46 -4.609 -5.652 -0.653 181 HG23 THR 46 HG23 THR 46 -5.186 -4.622 -1.964 182 H LEU 47 HN LEU 47 -5.253 -2.110 1.853 183 HA LEU 47 HA LEU 47 -8.063 -2.737 1.779 184 HB2 LEU 47 HB2 LEU 47 -6.218 -1.991 4.047 185 HB3 LEU 47 HB1 LEU 47 -7.908 -2.396 4.264 186 HG LEU 47 HG LEU 47 -6.608 -4.316 4.832 187 HD11 LEU 47 HD11 LEU 47 -8.680 -4.765 3.633 188 HD12 LEU 47 HD12 LEU 47 -7.456 -5.981 3.268 189 HD13 LEU 47 HD13 LEU 47 -7.813 -4.711 2.099 190 HD21 LEU 47 HD21 LEU 47 -4.567 -3.678 3.603 191 HD22 LEU 47 HD22 LEU 47 -5.351 -4.159 2.097 192 HD23 LEU 47 HD23 LEU 47 -5.023 -5.362 3.345 193 H PHE 48 HN PHE 48 -6.100 0.075 2.679 194 HA PHE 48 HA PHE 48 -8.070 1.812 3.503 195 HB2 PHE 48 HB2 PHE 48 -5.680 2.311 3.671 196 HB3 PHE 48 HB1 PHE 48 -5.573 2.466 1.922 197 HD1 PHE 48 HD1 PHE 48 -6.126 4.482 0.841 198 HD2 PHE 48 HD2 PHE 48 -7.034 3.961 4.965 199 HE1 PHE 48 HE1 PHE 48 -6.665 6.878 1.022 200 HE2 PHE 48 HE2 PHE 48 -7.573 6.354 5.154 201 HZ PHE 48 HZ PHE 48 -7.389 7.816 3.180 202 H CYS 49 HN CYS 49 -7.314 0.763 0.272 203 HA CYS 49 HA CYS 49 -8.847 2.839 -1.016 204 HB2 CYS 49 HB2 CYS 49 -7.030 2.005 -2.287 205 HB3 CYS 49 HB1 CYS 49 -7.498 0.332 -2.002 206 HG CYS 49 HG CYS 49 -8.383 0.260 -4.430 207 H LEU 50 HN LEU 50 -9.235 -0.642 -0.439 208 HA LEU 50 HA LEU 50 -11.735 -0.926 -1.683 209 HB2 LEU 50 HB2 LEU 50 -10.572 -2.503 0.618 210 HB3 LEU 50 HB1 LEU 50 -11.930 -3.006 -0.384 211 HG LEU 50 HG LEU 50 -9.200 -2.478 -1.542 212 HD11 LEU 50 HD11 LEU 50 -9.019 -4.202 0.206 213 HD12 LEU 50 HD12 LEU 50 -8.754 -4.852 -1.412 214 HD13 LEU 50 HD13 LEU 50 -10.293 -5.123 -0.594 215 HD21 LEU 50 HD21 LEU 50 -10.037 -3.926 -3.337 216 HD22 LEU 50 HD22 LEU 50 -11.044 -2.494 -3.120 217 HD23 LEU 50 HD23 LEU 50 -11.584 -4.055 -2.501 218 H LEU 51 HN LEU 51 -10.855 0.342 1.423 219 HA LEU 51 HA LEU 51 -13.496 0.082 2.543 220 HB2 LEU 51 HB2 LEU 51 -11.099 1.655 3.485 221 HB3 LEU 51 HB1 LEU 51 -12.581 1.438 4.397 222 HG LEU 51 HG LEU 51 -10.741 -0.804 3.555 223 HD11 LEU 51 HD11 LEU 51 -10.081 -0.899 5.898 224 HD12 LEU 51 HD12 LEU 51 -11.082 0.510 6.248 225 HD13 LEU 51 HD13 LEU 51 -9.677 0.666 5.192 226 HD21 LEU 51 HD21 LEU 51 -13.040 -1.532 3.799 227 HD22 LEU 51 HD22 LEU 51 -13.144 -0.753 5.377 228 HD23 LEU 51 HD23 LEU 51 -12.070 -2.132 5.144 229 H HIS 52 HN HIS 52 -11.793 2.373 0.615 230 HA HIS 52 HA HIS 52 -13.523 4.592 1.259 231 HB2 HIS 52 HB2 HIS 52 -11.091 4.798 0.568 232 HB3 HIS 52 HB1 HIS 52 -11.608 4.394 -1.065 233 HD1 HIS 52 HD1 HIS 52 -14.156 6.416 0.474 234 HD2 HIS 52 HD2 HIS 52 -10.530 7.148 -1.417 235 HE1 HIS 52 HE1 HIS 52 -14.214 8.845 -0.173 236 HE2 HIS 52 HE2 HIS 52 -12.047 9.243 -1.395 237 H PHE 53 HN PHE 53 -12.879 2.777 -1.755 238 HA PHE 53 HA PHE 53 -15.655 3.357 -2.571 239 HB2 PHE 53 HB2 PHE 53 -13.115 3.223 -4.172 240 HB3 PHE 53 HB1 PHE 53 -14.676 2.955 -4.935 241 HD1 PHE 53 HD1 PHE 53 -16.067 4.758 -5.522 242 HD2 PHE 53 HD2 PHE 53 -12.687 5.413 -3.021 243 HE1 PHE 53 HE1 PHE 53 -16.371 7.190 -5.753 244 HE2 PHE 53 HE2 PHE 53 -12.985 7.845 -3.248 245 HZ PHE 53 HZ PHE 53 -14.830 8.733 -4.644 246 H GLY 54 HN GLY 54 -13.195 0.952 -2.157 247 HA2 GLY 54 HA2 GLY 54 -13.600 -1.347 -1.897 248 HA3 GLY 54 HA1 GLY 54 -15.177 -1.130 -2.639 249 H VAL 55 HN VAL 55 -12.967 0.490 -4.494 250 HA VAL 55 HA VAL 55 -12.026 -1.778 -6.004 251 HB VAL 55 HB VAL 55 -14.217 -1.624 -6.948 252 HG11 VAL 55 HG11 VAL 55 -13.633 1.299 -7.316 253 HG12 VAL 55 HG12 VAL 55 -14.873 0.574 -6.298 254 HG13 VAL 55 HG13 VAL 55 -14.995 0.462 -8.054 255 HG21 VAL 55 HG21 VAL 55 -13.693 -1.142 -9.299 256 HG22 VAL 55 HG22 VAL 55 -12.429 -2.093 -8.521 257 HG23 VAL 55 HG23 VAL 55 -12.192 -0.368 -8.795 258 H ILE 56 HN ILE 56 -12.375 1.737 -5.870 259 HA ILE 56 HA ILE 56 -9.572 2.073 -6.363 260 HB ILE 56 HB ILE 56 -10.334 3.827 -8.279 261 HG12 ILE 56 HG12 ILE 56 -11.721 2.416 -9.893 262 HG13 ILE 56 HG11 ILE 56 -12.151 1.427 -8.502 263 HG21 ILE 56 HG21 ILE 56 -8.440 2.301 -8.360 264 HG22 ILE 56 HG22 ILE 56 -9.344 2.274 -9.874 265 HG23 ILE 56 HG23 ILE 56 -9.527 0.957 -8.715 266 HD11 ILE 56 HD11 ILE 56 -13.182 3.329 -7.431 267 HD12 ILE 56 HD12 ILE 56 -13.861 3.089 -9.041 268 HD13 ILE 56 HD13 ILE 56 -12.686 4.376 -8.762 269 H GLY 57 HN GLY 57 -9.204 3.366 -4.698 270 HA2 GLY 57 HA2 GLY 57 -11.009 5.631 -4.210 271 HA3 GLY 57 HA1 GLY 57 -9.859 4.974 -3.056 272 HA PRO 58 HA PRO 58 -6.802 7.947 -4.157 273 HB2 PRO 58 HB2 PRO 58 -4.780 5.902 -4.794 274 HB3 PRO 58 HB1 PRO 58 -4.790 7.105 -3.503 275 HG2 PRO 58 HG2 PRO 58 -5.149 4.494 -2.999 276 HG3 PRO 58 HG1 PRO 58 -5.985 5.752 -2.067 277 HD2 PRO 58 HD2 PRO 58 -7.021 4.035 -4.292 278 HD3 PRO 58 HD1 PRO 58 -7.817 4.519 -2.778 279 H GLN 59 HN GLN 59 -5.096 8.544 -5.854 280 HA GLN 59 HA GLN 59 -6.073 7.699 -8.501 281 HB2 GLN 59 HB2 GLN 59 -6.552 10.050 -7.994 282 HB3 GLN 59 HB1 GLN 59 -4.846 10.340 -7.682 283 HG2 GLN 59 HG2 GLN 59 -5.485 11.151 -9.876 284 HG3 GLN 59 HG1 GLN 59 -4.323 9.832 -10.004 285 HE21 GLN 59 HE21 GLN 59 -4.927 9.319 -12.092 286 HE22 GLN 59 HE22 GLN 59 -6.433 8.556 -12.465 287 H ARG 60 HN ARG 60 -4.667 6.124 -9.078 288 HA ARG 60 HA ARG 60 -1.810 6.844 -9.133 289 HB2 ARG 60 HB2 ARG 60 -2.313 5.031 -7.521 290 HB3 ARG 60 HB1 ARG 60 -2.986 4.076 -8.835 291 HG2 ARG 60 HG2 ARG 60 -0.794 4.060 -9.934 292 HG3 ARG 60 HG1 ARG 60 -0.126 4.984 -8.587 293 HD2 ARG 60 HD2 ARG 60 -0.739 3.159 -7.057 294 HD3 ARG 60 HD1 ARG 60 -1.358 2.236 -8.425 295 HE ARG 60 HE ARG 60 1.362 3.021 -8.792 296 HH11 ARG 60 HH11 ARG 60 -0.704 0.683 -7.240 297 HH12 ARG 60 HH12 ARG 60 0.516 -0.543 -7.176 298 HH21 ARG 60 HH21 ARG 60 2.974 1.413 -8.710 299 HH22 ARG 60 HH22 ARG 60 2.609 -0.128 -8.011 Start of MODEL 8 1 H1 ARG 28 HT1 ARG 28 25.676 -3.467 -8.183 2 H2 ARG 28 HT2 ARG 28 24.253 -2.648 -8.589 3 H3 ARG 28 HT3 ARG 28 24.416 -3.350 -7.060 4 HA ARG 28 HA ARG 28 26.192 -1.832 -6.506 5 HB2 ARG 28 HB2 ARG 28 25.553 -0.557 -9.173 6 HB3 ARG 28 HB1 ARG 28 26.719 0.028 -7.995 7 HG2 ARG 28 HG2 ARG 28 28.056 -1.995 -8.319 8 HG3 ARG 28 HG1 ARG 28 26.889 -2.566 -9.514 9 HD2 ARG 28 HD2 ARG 28 28.552 -0.057 -9.699 10 HD3 ARG 28 HD1 ARG 28 28.808 -1.546 -10.607 11 HE ARG 28 HE ARG 28 26.250 -0.816 -11.208 12 HH11 ARG 28 HH11 ARG 28 29.359 0.744 -11.416 13 HH12 ARG 28 HH12 ARG 28 28.920 1.722 -12.775 14 HH21 ARG 28 HH21 ARG 28 25.665 0.470 -12.997 15 HH22 ARG 28 HH22 ARG 28 26.820 1.569 -13.672 16 H ARG 29 HN ARG 29 22.993 -1.941 -7.362 17 HA ARG 29 HA ARG 29 22.418 0.578 -5.945 18 HB2 ARG 29 HB2 ARG 29 20.878 -0.771 -8.165 19 HB3 ARG 29 HB1 ARG 29 20.230 0.549 -7.200 20 HG2 ARG 29 HG2 ARG 29 21.882 2.058 -8.012 21 HG3 ARG 29 HG1 ARG 29 22.774 0.751 -8.792 22 HD2 ARG 29 HD2 ARG 29 19.961 1.559 -9.517 23 HD3 ARG 29 HD1 ARG 29 21.403 2.133 -10.353 24 HE ARG 29 HE ARG 29 21.436 -0.672 -10.299 25 HH11 ARG 29 HH11 ARG 29 19.670 1.952 -11.760 26 HH12 ARG 29 HH12 ARG 29 19.251 1.052 -13.178 27 HH21 ARG 29 HH21 ARG 29 20.892 -1.865 -12.166 28 HH22 ARG 29 HH22 ARG 29 19.946 -1.117 -13.410 29 H CYS 30 HN CYS 30 20.498 0.602 -4.617 30 HA CYS 30 HA CYS 30 20.066 -1.988 -3.327 31 HB2 CYS 30 HB2 CYS 30 19.043 -0.603 -1.504 32 HB3 CYS 30 HB1 CYS 30 20.739 -0.251 -1.816 33 HG CYS 30 HG CYS 30 19.908 1.988 -3.536 34 H LEU 31 HN LEU 31 18.595 -2.942 -4.737 35 HA LEU 31 HA LEU 31 16.122 -1.578 -5.378 36 HB2 LEU 31 HB2 LEU 31 17.090 -4.371 -5.985 37 HB3 LEU 31 HB1 LEU 31 15.566 -3.710 -6.546 38 HG LEU 31 HG LEU 31 18.280 -2.594 -7.257 39 HD11 LEU 31 HD11 LEU 31 17.873 -3.558 -9.470 40 HD12 LEU 31 HD12 LEU 31 16.402 -4.319 -8.865 41 HD13 LEU 31 HD13 LEU 31 17.972 -4.802 -8.224 42 HD21 LEU 31 HD21 LEU 31 17.042 -1.303 -8.924 43 HD22 LEU 31 HD22 LEU 31 16.498 -0.926 -7.290 44 HD23 LEU 31 HD23 LEU 31 15.526 -1.973 -8.322 45 H PHE 32 HN PHE 32 17.225 -4.200 -3.304 46 HA PHE 32 HA PHE 32 14.614 -4.971 -2.444 47 HB2 PHE 32 HB2 PHE 32 16.585 -6.486 -2.383 48 HB3 PHE 32 HB1 PHE 32 17.280 -5.488 -1.112 49 HD1 PHE 32 HD1 PHE 32 14.616 -7.866 -1.950 50 HD2 PHE 32 HD2 PHE 32 16.473 -5.599 1.137 51 HE1 PHE 32 HE1 PHE 32 13.414 -9.190 -0.260 52 HE2 PHE 32 HE2 PHE 32 15.275 -6.920 2.833 53 HZ PHE 32 HZ PHE 32 13.746 -8.725 2.132 54 H LEU 33 HN LEU 33 17.151 -2.881 -1.148 55 HA LEU 33 HA LEU 33 16.061 -2.351 1.354 56 HB2 LEU 33 HB2 LEU 33 18.225 -1.456 -0.175 57 HB3 LEU 33 HB1 LEU 33 17.306 -0.011 0.202 58 HG LEU 33 HG LEU 33 17.374 -0.837 2.634 59 HD11 LEU 33 HD11 LEU 33 19.309 -2.233 3.185 60 HD12 LEU 33 HD12 LEU 33 19.615 -2.476 1.466 61 HD13 LEU 33 HD13 LEU 33 18.134 -3.098 2.195 62 HD21 LEU 33 HD21 LEU 33 18.588 1.114 1.843 63 HD22 LEU 33 HD22 LEU 33 19.889 0.083 1.249 64 HD23 LEU 33 HD23 LEU 33 19.574 0.195 2.980 65 H SER 34 HN SER 34 15.390 -0.907 -1.788 66 HA SER 34 HA SER 34 13.714 1.169 -0.759 67 HB2 SER 34 HB2 SER 34 13.118 1.552 -3.121 68 HB3 SER 34 HB1 SER 34 14.863 1.419 -2.912 69 HG SER 34 HG SER 34 14.843 -0.540 -3.855 70 H LEU 35 HN LEU 35 13.192 -2.065 -2.054 71 HA LEU 35 HA LEU 35 10.341 -1.861 -2.105 72 HB2 LEU 35 HB2 LEU 35 12.363 -3.904 -2.670 73 HB3 LEU 35 HB1 LEU 35 10.887 -4.551 -1.983 74 HG LEU 35 HG LEU 35 10.834 -4.621 -4.422 75 HD11 LEU 35 HD11 LEU 35 8.918 -2.574 -3.319 76 HD12 LEU 35 HD12 LEU 35 8.741 -4.322 -3.182 77 HD13 LEU 35 HD13 LEU 35 8.687 -3.552 -4.769 78 HD21 LEU 35 HD21 LEU 35 12.284 -2.759 -4.936 79 HD22 LEU 35 HD22 LEU 35 11.119 -1.624 -4.249 80 HD23 LEU 35 HD23 LEU 35 10.717 -2.524 -5.713 81 H PHE 36 HN PHE 36 12.534 -2.098 0.392 82 HA PHE 36 HA PHE 36 11.129 -3.855 2.144 83 HB2 PHE 36 HB2 PHE 36 13.534 -3.382 2.396 84 HB3 PHE 36 HB1 PHE 36 13.162 -1.706 2.782 85 HD1 PHE 36 HD1 PHE 36 12.318 -5.153 3.924 86 HD2 PHE 36 HD2 PHE 36 13.041 -1.097 4.994 87 HE1 PHE 36 HE1 PHE 36 12.132 -5.751 6.303 88 HE2 PHE 36 HE2 PHE 36 12.855 -1.689 7.376 89 HZ PHE 36 HZ PHE 36 12.394 -4.012 8.033 90 H SER 37 HN SER 37 10.740 -0.567 1.235 91 HA SER 37 HA SER 37 8.921 -0.109 3.505 92 HB2 SER 37 HB2 SER 37 10.307 1.908 1.723 93 HB3 SER 37 HB1 SER 37 9.199 2.303 3.036 94 HG SER 37 HG SER 37 11.023 2.352 4.117 95 H PHE 38 HN PHE 38 9.192 -0.258 0.047 96 HA PHE 38 HA PHE 38 6.736 1.029 -0.580 97 HB2 PHE 38 HB2 PHE 38 8.663 0.618 -2.170 98 HB3 PHE 38 HB1 PHE 38 8.144 -1.062 -2.236 99 HD1 PHE 38 HD1 PHE 38 7.204 2.400 -3.063 100 HD2 PHE 38 HD2 PHE 38 6.269 -1.725 -3.529 101 HE1 PHE 38 HE1 PHE 38 5.612 2.967 -4.851 102 HE2 PHE 38 HE2 PHE 38 4.675 -1.166 -5.318 103 HZ PHE 38 HZ PHE 38 4.345 1.184 -5.981 104 H LEU 39 HN LEU 39 7.503 -2.025 0.711 105 HA LEU 39 HA LEU 39 5.203 -3.429 -0.278 106 HB2 LEU 39 HB2 LEU 39 7.394 -4.461 0.471 107 HB3 LEU 39 HB1 LEU 39 6.883 -4.146 2.118 108 HG LEU 39 HG LEU 39 5.078 -5.707 0.333 109 HD11 LEU 39 HD11 LEU 39 7.287 -6.703 -0.006 110 HD12 LEU 39 HD12 LEU 39 6.223 -7.773 0.908 111 HD13 LEU 39 HD13 LEU 39 7.481 -6.859 1.739 112 HD21 LEU 39 HD21 LEU 39 5.732 -5.794 3.277 113 HD22 LEU 39 HD22 LEU 39 4.564 -6.836 2.464 114 HD23 LEU 39 HD23 LEU 39 4.289 -5.097 2.541 115 H ILE 40 HN ILE 40 6.003 -1.520 2.534 116 HA ILE 40 HA ILE 40 3.656 -2.245 4.021 117 HB ILE 40 HB ILE 40 5.463 0.139 4.440 118 HG12 ILE 40 HG12 ILE 40 5.631 -2.598 5.719 119 HG13 ILE 40 HG11 ILE 40 6.683 -2.043 4.421 120 HG21 ILE 40 HG21 ILE 40 4.642 0.055 6.741 121 HG22 ILE 40 HG22 ILE 40 3.594 -1.299 6.320 122 HG23 ILE 40 HG23 ILE 40 3.320 0.286 5.598 123 HD11 ILE 40 HD11 ILE 40 6.479 -0.852 7.177 124 HD12 ILE 40 HD12 ILE 40 7.511 -0.257 5.878 125 HD13 ILE 40 HD13 ILE 40 7.789 -1.859 6.561 126 H VAL 41 HN VAL 41 4.556 0.274 1.764 127 HA VAL 41 HA VAL 41 2.275 1.929 2.298 128 HB VAL 41 HB VAL 41 4.486 2.729 1.336 129 HG11 VAL 41 HG11 VAL 41 4.687 2.643 -1.114 130 HG12 VAL 41 HG12 VAL 41 3.302 1.553 -1.167 131 HG13 VAL 41 HG13 VAL 41 4.788 1.052 -0.362 132 HG21 VAL 41 HG21 VAL 41 1.926 3.476 -0.074 133 HG22 VAL 41 HG22 VAL 41 3.405 4.435 -0.075 134 HG23 VAL 41 HG23 VAL 41 2.530 4.162 1.433 135 H LEU 42 HN LEU 42 2.968 -0.770 0.255 136 HA LEU 42 HA LEU 42 0.706 -0.338 -1.496 137 HB2 LEU 42 HB2 LEU 42 3.036 -1.574 -1.900 138 HB3 LEU 42 HB1 LEU 42 2.107 -2.962 -1.349 139 HG LEU 42 HG LEU 42 2.135 -2.838 -3.783 140 HD11 LEU 42 HD11 LEU 42 -0.251 -2.983 -4.199 141 HD12 LEU 42 HD12 LEU 42 -0.585 -2.169 -2.671 142 HD13 LEU 42 HD13 LEU 42 0.160 -3.767 -2.674 143 HD21 LEU 42 HD21 LEU 42 0.776 -0.167 -3.442 144 HD22 LEU 42 HD22 LEU 42 1.050 -1.004 -4.970 145 HD23 LEU 42 HD23 LEU 42 2.421 -0.426 -4.022 146 H LEU 43 HN LEU 43 1.600 -2.556 1.119 147 HA LEU 43 HA LEU 43 -0.653 -4.191 1.098 148 HB2 LEU 43 HB2 LEU 43 1.580 -4.192 2.529 149 HB3 LEU 43 HB1 LEU 43 0.562 -3.382 3.701 150 HG LEU 43 HG LEU 43 0.696 -5.780 4.140 151 HD11 LEU 43 HD11 LEU 43 -1.349 -4.569 4.735 152 HD12 LEU 43 HD12 LEU 43 -1.670 -6.254 4.328 153 HD13 LEU 43 HD13 LEU 43 -2.039 -4.981 3.166 154 HD21 LEU 43 HD21 LEU 43 -0.278 -7.399 2.599 155 HD22 LEU 43 HD22 LEU 43 1.072 -6.546 1.851 156 HD23 LEU 43 HD23 LEU 43 -0.585 -6.114 1.431 157 H LEU 44 HN LEU 44 -0.116 -1.057 2.628 158 HA LEU 44 HA LEU 44 -2.567 -0.979 4.047 159 HB2 LEU 44 HB2 LEU 44 -0.655 1.175 3.174 160 HB3 LEU 44 HB1 LEU 44 -2.099 1.517 4.106 161 HG LEU 44 HG LEU 44 0.164 -0.267 5.011 162 HD11 LEU 44 HD11 LEU 44 -0.577 2.548 5.794 163 HD12 LEU 44 HD12 LEU 44 0.866 2.048 4.913 164 HD13 LEU 44 HD13 LEU 44 0.644 1.556 6.592 165 HD21 LEU 44 HD21 LEU 44 -1.999 -0.917 5.945 166 HD22 LEU 44 HD22 LEU 44 -2.273 0.741 6.477 167 HD23 LEU 44 HD23 LEU 44 -0.959 -0.204 7.180 168 H THR 45 HN THR 45 -1.552 0.506 0.974 169 HA THR 45 HA THR 45 -3.933 1.817 0.375 170 HB THR 45 HB THR 45 -3.203 1.596 -2.040 171 HG1 THR 45 HG1 THR 45 -0.705 0.714 -1.234 172 HG21 THR 45 HG21 THR 45 -2.575 3.514 -0.676 173 HG22 THR 45 HG22 THR 45 -1.247 3.058 -1.743 174 HG23 THR 45 HG23 THR 45 -1.195 2.626 -0.034 175 H THR 46 HN THR 46 -3.189 -1.552 0.250 176 HA THR 46 HA THR 46 -5.029 -2.408 -1.685 177 HB THR 46 HB THR 46 -4.165 -3.905 0.798 178 HG1 THR 46 HG1 THR 46 -2.400 -4.477 -0.324 179 HG21 THR 46 HG21 THR 46 -6.122 -4.884 -0.329 180 HG22 THR 46 HG22 THR 46 -4.697 -5.910 -0.487 181 HG23 THR 46 HG23 THR 46 -5.222 -4.917 -1.845 182 H LEU 47 HN LEU 47 -5.400 -2.376 1.866 183 HA LEU 47 HA LEU 47 -8.250 -2.806 1.629 184 HB2 LEU 47 HB2 LEU 47 -6.410 -2.426 3.984 185 HB3 LEU 47 HB1 LEU 47 -8.147 -2.564 4.160 186 HG LEU 47 HG LEU 47 -7.112 -4.692 4.635 187 HD11 LEU 47 HD11 LEU 47 -9.286 -4.737 3.539 188 HD12 LEU 47 HD12 LEU 47 -8.301 -6.116 3.051 189 HD13 LEU 47 HD13 LEU 47 -8.500 -4.744 1.960 190 HD21 LEU 47 HD21 LEU 47 -5.820 -5.916 2.986 191 HD22 LEU 47 HD22 LEU 47 -5.054 -4.368 3.339 192 HD23 LEU 47 HD23 LEU 47 -5.970 -4.579 1.847 193 H PHE 48 HN PHE 48 -6.086 -0.148 1.996 194 HA PHE 48 HA PHE 48 -7.870 1.709 3.173 195 HB2 PHE 48 HB2 PHE 48 -5.536 2.188 3.277 196 HB3 PHE 48 HB1 PHE 48 -5.359 2.054 1.532 197 HD1 PHE 48 HD1 PHE 48 -5.617 3.923 0.150 198 HD2 PHE 48 HD2 PHE 48 -6.876 4.113 4.211 199 HE1 PHE 48 HE1 PHE 48 -5.953 6.350 -0.071 200 HE2 PHE 48 HE2 PHE 48 -7.214 6.540 3.997 201 HZ PHE 48 HZ PHE 48 -6.739 7.664 1.860 202 H CYS 49 HN CYS 49 -7.231 0.742 -0.140 203 HA CYS 49 HA CYS 49 -8.851 2.846 -1.261 204 HB2 CYS 49 HB2 CYS 49 -6.930 1.980 -2.508 205 HB3 CYS 49 HB1 CYS 49 -7.658 0.379 -2.544 206 HG CYS 49 HG CYS 49 -8.383 3.104 -4.395 207 H LEU 50 HN LEU 50 -9.140 -0.692 -0.964 208 HA LEU 50 HA LEU 50 -11.625 -1.024 -2.138 209 HB2 LEU 50 HB2 LEU 50 -10.400 -2.507 0.191 210 HB3 LEU 50 HB1 LEU 50 -11.841 -3.039 -0.669 211 HG LEU 50 HG LEU 50 -9.178 -2.643 -2.032 212 HD11 LEU 50 HD11 LEU 50 -8.987 -5.119 -1.917 213 HD12 LEU 50 HD12 LEU 50 -10.336 -5.128 -0.780 214 HD13 LEU 50 HD13 LEU 50 -8.828 -4.318 -0.354 215 HD21 LEU 50 HD21 LEU 50 -11.665 -4.162 -2.812 216 HD22 LEU 50 HD22 LEU 50 -10.174 -4.068 -3.747 217 HD23 LEU 50 HD23 LEU 50 -11.142 -2.618 -3.484 218 H LEU 51 HN LEU 51 -10.816 0.025 1.115 219 HA LEU 51 HA LEU 51 -13.546 -0.021 2.031 220 HB2 LEU 51 HB2 LEU 51 -11.008 1.094 3.214 221 HB3 LEU 51 HB1 LEU 51 -12.566 1.188 4.016 222 HG LEU 51 HG LEU 51 -11.150 -1.374 3.268 223 HD11 LEU 51 HD11 LEU 51 -10.807 -1.628 5.680 224 HD12 LEU 51 HD12 LEU 51 -11.502 -0.029 5.943 225 HD13 LEU 51 HD13 LEU 51 -9.991 -0.198 5.050 226 HD21 LEU 51 HD21 LEU 51 -13.674 -0.883 4.846 227 HD22 LEU 51 HD22 LEU 51 -12.872 -2.443 4.655 228 HD23 LEU 51 HD23 LEU 51 -13.564 -1.629 3.252 229 H HIS 52 HN HIS 52 -11.320 2.351 0.723 230 HA HIS 52 HA HIS 52 -12.741 4.677 1.418 231 HB2 HIS 52 HB2 HIS 52 -10.380 4.573 0.547 232 HB3 HIS 52 HB1 HIS 52 -11.050 4.295 -1.057 233 HD1 HIS 52 HD1 HIS 52 -12.491 6.301 -2.067 234 HD2 HIS 52 HD2 HIS 52 -10.287 7.194 1.340 235 HE1 HIS 52 HE1 HIS 52 -12.405 8.812 -1.961 236 HE2 HIS 52 HE2 HIS 52 -11.147 9.328 0.160 237 H PHE 53 HN PHE 53 -12.705 2.884 -1.669 238 HA PHE 53 HA PHE 53 -14.918 4.390 -2.706 239 HB2 PHE 53 HB2 PHE 53 -13.484 1.931 -3.716 240 HB3 PHE 53 HB1 PHE 53 -14.806 2.707 -4.582 241 HD1 PHE 53 HD1 PHE 53 -11.360 3.169 -3.346 242 HD2 PHE 53 HD2 PHE 53 -14.453 4.659 -5.864 243 HE1 PHE 53 HE1 PHE 53 -9.758 4.714 -4.396 244 HE2 PHE 53 HE2 PHE 53 -12.856 6.205 -6.917 245 HZ PHE 53 HZ PHE 53 -10.505 6.233 -6.187 246 H GLY 54 HN GLY 54 -14.515 1.462 -0.915 247 HA2 GLY 54 HA2 GLY 54 -16.044 0.039 0.036 248 HA3 GLY 54 HA1 GLY 54 -17.264 1.255 -0.310 249 H VAL 55 HN VAL 55 -15.348 -0.080 -2.882 250 HA VAL 55 HA VAL 55 -17.507 -0.802 -4.459 251 HB VAL 55 HB VAL 55 -15.336 -0.514 -5.443 252 HG11 VAL 55 HG11 VAL 55 -14.485 -2.963 -3.917 253 HG12 VAL 55 HG12 VAL 55 -13.961 -1.310 -3.608 254 HG13 VAL 55 HG13 VAL 55 -13.516 -2.110 -5.116 255 HG21 VAL 55 HG21 VAL 55 -16.293 -3.355 -5.746 256 HG22 VAL 55 HG22 VAL 55 -15.194 -2.530 -6.850 257 HG23 VAL 55 HG23 VAL 55 -16.849 -1.953 -6.660 258 H ILE 56 HN ILE 56 -15.579 -2.820 -2.290 259 HA ILE 56 HA ILE 56 -17.786 -4.561 -1.787 260 HB ILE 56 HB ILE 56 -16.146 -6.586 -2.463 261 HG12 ILE 56 HG12 ILE 56 -15.472 -6.071 -4.884 262 HG13 ILE 56 HG11 ILE 56 -15.641 -4.376 -4.451 263 HG21 ILE 56 HG21 ILE 56 -18.144 -5.306 -4.320 264 HG22 ILE 56 HG22 ILE 56 -18.535 -6.365 -2.967 265 HG23 ILE 56 HG23 ILE 56 -17.623 -6.990 -4.341 266 HD11 ILE 56 HD11 ILE 56 -13.777 -6.340 -3.140 267 HD12 ILE 56 HD12 ILE 56 -13.929 -4.626 -2.749 268 HD13 ILE 56 HD13 ILE 56 -13.329 -5.119 -4.332 269 H GLY 57 HN GLY 57 -17.371 -3.982 0.337 270 HA2 GLY 57 HA2 GLY 57 -15.162 -5.463 1.555 271 HA3 GLY 57 HA1 GLY 57 -15.253 -3.739 1.870 272 HA PRO 58 HA PRO 58 -17.967 -4.470 5.256 273 HB2 PRO 58 HB2 PRO 58 -19.776 -2.448 5.088 274 HB3 PRO 58 HB1 PRO 58 -18.103 -2.207 5.601 275 HG2 PRO 58 HG2 PRO 58 -19.349 -1.733 2.921 276 HG3 PRO 58 HG1 PRO 58 -18.195 -0.725 3.813 277 HD2 PRO 58 HD2 PRO 58 -17.439 -2.351 1.787 278 HD3 PRO 58 HD1 PRO 58 -16.388 -2.010 3.176 279 H GLN 59 HN GLN 59 -19.046 -4.811 2.108 280 HA GLN 59 HA GLN 59 -20.787 -5.890 1.127 281 HB2 GLN 59 HB2 GLN 59 -21.041 -7.034 3.909 282 HB3 GLN 59 HB1 GLN 59 -21.981 -7.599 2.536 283 HG2 GLN 59 HG2 GLN 59 -18.976 -7.630 2.693 284 HG3 GLN 59 HG1 GLN 59 -20.024 -9.007 3.024 285 HE21 GLN 59 HE21 GLN 59 -17.949 -8.671 1.001 286 HE22 GLN 59 HE22 GLN 59 -18.717 -8.940 -0.523 287 H ARG 60 HN ARG 60 -21.186 -3.289 2.670 288 HA ARG 60 HA ARG 60 -23.978 -3.397 3.420 289 HB2 ARG 60 HB2 ARG 60 -22.400 -1.961 4.657 290 HB3 ARG 60 HB1 ARG 60 -22.109 -1.028 3.196 291 HG2 ARG 60 HG2 ARG 60 -23.631 0.172 4.602 292 HG3 ARG 60 HG1 ARG 60 -24.500 -0.392 3.174 293 HD2 ARG 60 HD2 ARG 60 -25.359 -2.296 4.482 294 HD3 ARG 60 HD1 ARG 60 -24.535 -1.667 5.908 295 HE ARG 60 HE ARG 60 -26.105 0.398 5.052 296 HH11 ARG 60 HH11 ARG 60 -26.671 -2.922 5.950 297 HH12 ARG 60 HH12 ARG 60 -28.272 -2.624 6.538 298 HH21 ARG 60 HH21 ARG 60 -28.216 0.796 5.825 299 HH22 ARG 60 HH22 ARG 60 -29.150 -0.514 6.468 Start of MODEL 9 1 H1 ARG 28 HT1 ARG 28 18.105 11.758 0.055 2 H2 ARG 28 HT2 ARG 28 19.562 10.901 0.128 3 H3 ARG 28 HT3 ARG 28 19.480 12.480 0.727 4 HA ARG 28 HA ARG 28 19.487 10.910 2.533 5 HB2 ARG 28 HB2 ARG 28 17.439 11.673 3.665 6 HB3 ARG 28 HB1 ARG 28 18.247 12.991 2.826 7 HG2 ARG 28 HG2 ARG 28 16.646 12.778 0.978 8 HG3 ARG 28 HG1 ARG 28 15.824 11.488 1.856 9 HD2 ARG 28 HD2 ARG 28 15.344 13.047 3.685 10 HD3 ARG 28 HD1 ARG 28 16.159 14.335 2.798 11 HE ARG 28 HE ARG 28 14.080 13.166 1.251 12 HH11 ARG 28 HH11 ARG 28 14.675 15.380 3.875 13 HH12 ARG 28 HH12 ARG 28 13.228 16.291 3.603 14 HH21 ARG 28 HH21 ARG 28 12.173 14.360 0.887 15 HH22 ARG 28 HH22 ARG 28 11.806 15.712 1.906 16 H ARG 29 HN ARG 29 17.202 10.216 0.012 17 HA ARG 29 HA ARG 29 15.948 8.018 1.378 18 HB2 ARG 29 HB2 ARG 29 14.771 9.337 -0.348 19 HB3 ARG 29 HB1 ARG 29 15.909 8.756 -1.554 20 HG2 ARG 29 HG2 ARG 29 13.996 7.440 -1.825 21 HG3 ARG 29 HG1 ARG 29 15.134 6.417 -0.947 22 HD2 ARG 29 HD2 ARG 29 12.998 8.055 0.403 23 HD3 ARG 29 HD1 ARG 29 12.754 6.388 -0.112 24 HE ARG 29 HE ARG 29 15.066 6.558 1.490 25 HH11 ARG 29 HH11 ARG 29 11.594 6.733 1.717 26 HH12 ARG 29 HH12 ARG 29 11.543 6.169 3.355 27 HH21 ARG 29 HH21 ARG 29 15.010 5.814 3.645 28 HH22 ARG 29 HH22 ARG 29 13.486 5.648 4.450 29 H CYS 30 HN CYS 30 16.322 5.850 1.132 30 HA CYS 30 HA CYS 30 18.856 5.134 -0.174 31 HB2 CYS 30 HB2 CYS 30 17.294 3.691 1.977 32 HB3 CYS 30 HB1 CYS 30 18.812 3.132 1.283 33 HG CYS 30 HG CYS 30 19.889 5.840 2.144 34 H LEU 31 HN LEU 31 18.933 3.693 -1.798 35 HA LEU 31 HA LEU 31 16.571 3.022 -3.203 36 HB2 LEU 31 HB2 LEU 31 19.441 2.168 -3.477 37 HB3 LEU 31 HB1 LEU 31 18.187 1.513 -4.510 38 HG LEU 31 HG LEU 31 19.356 3.302 -5.647 39 HD11 LEU 31 HD11 LEU 31 16.586 4.151 -4.819 40 HD12 LEU 31 HD12 LEU 31 16.984 3.025 -6.116 41 HD13 LEU 31 HD13 LEU 31 17.463 4.718 -6.239 42 HD21 LEU 31 HD21 LEU 31 19.322 5.592 -4.837 43 HD22 LEU 31 HD22 LEU 31 20.118 4.536 -3.672 44 HD23 LEU 31 HD23 LEU 31 18.467 5.083 -3.381 45 H PHE 32 HN PHE 32 18.466 1.367 -0.801 46 HA PHE 32 HA PHE 32 17.301 -1.215 -1.295 47 HB2 PHE 32 HB2 PHE 32 19.018 -0.128 0.937 48 HB3 PHE 32 HB1 PHE 32 18.415 -1.782 0.915 49 HD1 PHE 32 HD1 PHE 32 19.274 -3.401 -0.654 50 HD2 PHE 32 HD2 PHE 32 20.726 0.599 -0.615 51 HE1 PHE 32 HE1 PHE 32 21.192 -4.088 -2.033 52 HE2 PHE 32 HE2 PHE 32 22.647 -0.080 -1.995 53 HZ PHE 32 HZ PHE 32 22.882 -2.427 -2.707 54 H LEU 33 HN LEU 33 16.807 1.424 0.994 55 HA LEU 33 HA LEU 33 14.862 0.055 2.562 56 HB2 LEU 33 HB2 LEU 33 15.436 3.000 2.276 57 HB3 LEU 33 HB1 LEU 33 14.356 2.306 3.470 58 HG LEU 33 HG LEU 33 17.345 1.935 3.289 59 HD11 LEU 33 HD11 LEU 33 17.311 2.998 5.490 60 HD12 LEU 33 HD12 LEU 33 15.562 3.184 5.368 61 HD13 LEU 33 HD13 LEU 33 16.619 4.044 4.249 62 HD21 LEU 33 HD21 LEU 33 16.372 -0.181 3.939 63 HD22 LEU 33 HD22 LEU 33 15.354 0.619 5.137 64 HD23 LEU 33 HD23 LEU 33 17.105 0.586 5.348 65 H SER 34 HN SER 34 14.778 1.829 -0.400 66 HA SER 34 HA SER 34 12.090 2.629 -0.443 67 HB2 SER 34 HB2 SER 34 13.716 3.466 -2.064 68 HB3 SER 34 HB1 SER 34 13.893 1.850 -2.748 69 HG SER 34 HG SER 34 12.095 2.107 -3.818 70 H LEU 35 HN LEU 35 13.646 -0.402 -1.332 71 HA LEU 35 HA LEU 35 11.277 -1.601 -2.391 72 HB2 LEU 35 HB2 LEU 35 13.601 -2.262 -3.011 73 HB3 LEU 35 HB1 LEU 35 13.802 -2.932 -1.405 74 HG LEU 35 HG LEU 35 11.537 -3.927 -3.074 75 HD11 LEU 35 HD11 LEU 35 13.003 -5.582 -4.121 76 HD12 LEU 35 HD12 LEU 35 14.409 -4.778 -3.422 77 HD13 LEU 35 HD13 LEU 35 13.419 -3.942 -4.619 78 HD21 LEU 35 HD21 LEU 35 11.741 -4.707 -0.792 79 HD22 LEU 35 HD22 LEU 35 13.414 -5.185 -1.075 80 HD23 LEU 35 HD23 LEU 35 12.105 -6.025 -1.906 81 H PHE 36 HN PHE 36 12.832 -1.453 0.736 82 HA PHE 36 HA PHE 36 11.374 -3.528 1.994 83 HB2 PHE 36 HB2 PHE 36 13.501 -2.507 2.850 84 HB3 PHE 36 HB1 PHE 36 12.579 -1.077 3.298 85 HD1 PHE 36 HD1 PHE 36 13.156 -4.633 4.023 86 HD2 PHE 36 HD2 PHE 36 11.174 -1.063 5.226 87 HE1 PHE 36 HE1 PHE 36 12.610 -5.670 6.186 88 HE2 PHE 36 HE2 PHE 36 10.626 -2.094 7.392 89 HZ PHE 36 HZ PHE 36 11.365 -4.397 7.881 90 H SER 37 HN SER 37 10.797 -0.075 1.583 91 HA SER 37 HA SER 37 8.418 -0.108 3.217 92 HB2 SER 37 HB2 SER 37 9.546 2.028 1.387 93 HB3 SER 37 HB1 SER 37 8.164 2.246 2.460 94 HG SER 37 HG SER 37 9.511 1.930 4.217 95 H PHE 38 HN PHE 38 9.223 -0.854 0.009 96 HA PHE 38 HA PHE 38 6.844 -0.128 -1.326 97 HB2 PHE 38 HB2 PHE 38 9.130 -0.900 -2.291 98 HB3 PHE 38 HB1 PHE 38 8.484 -2.523 -2.083 99 HD1 PHE 38 HD1 PHE 38 8.074 0.661 -3.866 100 HD2 PHE 38 HD2 PHE 38 6.800 -3.384 -3.528 101 HE1 PHE 38 HE1 PHE 38 6.913 0.851 -6.027 102 HE2 PHE 38 HE2 PHE 38 5.636 -3.204 -5.688 103 HZ PHE 38 HZ PHE 38 5.692 -1.085 -6.940 104 H LEU 39 HN LEU 39 7.556 -2.580 0.934 105 HA LEU 39 HA LEU 39 5.423 -4.356 0.120 106 HB2 LEU 39 HB2 LEU 39 7.583 -5.091 1.221 107 HB3 LEU 39 HB1 LEU 39 6.978 -4.387 2.708 108 HG LEU 39 HG LEU 39 5.352 -6.456 1.281 109 HD11 LEU 39 HD11 LEU 39 7.583 -7.416 1.438 110 HD12 LEU 39 HD12 LEU 39 6.478 -8.203 2.564 111 HD13 LEU 39 HD13 LEU 39 7.643 -7.021 3.155 112 HD21 LEU 39 HD21 LEU 39 5.693 -5.666 4.171 113 HD22 LEU 39 HD22 LEU 39 4.656 -6.969 3.595 114 HD23 LEU 39 HD23 LEU 39 4.313 -5.301 3.136 115 H ILE 40 HN ILE 40 6.047 -1.972 2.643 116 HA ILE 40 HA ILE 40 3.594 -2.371 4.029 117 HB ILE 40 HB ILE 40 5.358 0.083 4.029 118 HG12 ILE 40 HG12 ILE 40 5.386 -2.256 5.949 119 HG13 ILE 40 HG11 ILE 40 6.528 -2.062 4.623 120 HG21 ILE 40 HG21 ILE 40 3.146 0.503 4.943 121 HG22 ILE 40 HG22 ILE 40 4.352 0.507 6.230 122 HG23 ILE 40 HG23 ILE 40 3.301 -0.892 6.010 123 HD11 ILE 40 HD11 ILE 40 6.181 -0.174 6.943 124 HD12 ILE 40 HD12 ILE 40 7.331 0.014 5.618 125 HD13 ILE 40 HD13 ILE 40 7.486 -1.342 6.735 126 H VAL 41 HN VAL 41 4.580 -0.405 1.315 127 HA VAL 41 HA VAL 41 2.320 1.333 1.361 128 HB VAL 41 HB VAL 41 4.517 1.861 0.261 129 HG11 VAL 41 HG11 VAL 41 4.828 -0.272 -0.868 130 HG12 VAL 41 HG12 VAL 41 4.890 1.076 -2.002 131 HG13 VAL 41 HG13 VAL 41 3.445 0.070 -1.904 132 HG21 VAL 41 HG21 VAL 41 3.502 3.102 -1.590 133 HG22 VAL 41 HG22 VAL 41 2.524 3.214 -0.127 134 HG23 VAL 41 HG23 VAL 41 2.034 2.136 -1.433 135 H LEU 42 HN LEU 42 2.995 -1.782 -0.073 136 HA LEU 42 HA LEU 42 0.712 -1.719 -1.827 137 HB2 LEU 42 HB2 LEU 42 2.934 -3.542 -1.264 138 HB3 LEU 42 HB1 LEU 42 1.418 -4.367 -1.607 139 HG LEU 42 HG LEU 42 2.764 -4.114 -3.626 140 HD11 LEU 42 HD11 LEU 42 1.076 -3.103 -5.060 141 HD12 LEU 42 HD12 LEU 42 0.312 -2.362 -3.655 142 HD13 LEU 42 HD13 LEU 42 0.330 -4.117 -3.825 143 HD21 LEU 42 HD21 LEU 42 3.166 -1.892 -4.585 144 HD22 LEU 42 HD22 LEU 42 3.993 -2.104 -3.043 145 HD23 LEU 42 HD23 LEU 42 2.512 -1.151 -3.125 146 H LEU 43 HN LEU 43 1.533 -3.633 1.071 147 HA LEU 43 HA LEU 43 -0.898 -4.943 1.351 148 HB2 LEU 43 HB2 LEU 43 1.278 -4.190 3.248 149 HB3 LEU 43 HB1 LEU 43 -0.216 -4.836 3.896 150 HG LEU 43 HG LEU 43 1.458 -6.588 3.648 151 HD11 LEU 43 HD11 LEU 43 0.140 -8.184 2.349 152 HD12 LEU 43 HD12 LEU 43 -0.793 -6.854 1.663 153 HD13 LEU 43 HD13 LEU 43 -0.882 -7.194 3.390 154 HD21 LEU 43 HD21 LEU 43 2.785 -5.706 1.848 155 HD22 LEU 43 HD22 LEU 43 1.427 -5.832 0.730 156 HD23 LEU 43 HD23 LEU 43 2.173 -7.291 1.381 157 H LEU 44 HN LEU 44 -0.102 -1.645 2.038 158 HA LEU 44 HA LEU 44 -2.384 -1.222 3.761 159 HB2 LEU 44 HB2 LEU 44 -0.258 0.561 2.626 160 HB3 LEU 44 HB1 LEU 44 -1.671 1.238 3.411 161 HG LEU 44 HG LEU 44 0.298 -0.648 4.709 162 HD11 LEU 44 HD11 LEU 44 1.301 1.517 4.280 163 HD12 LEU 44 HD12 LEU 44 0.976 1.326 6.003 164 HD13 LEU 44 HD13 LEU 44 -0.086 2.326 5.010 165 HD21 LEU 44 HD21 LEU 44 -0.875 -0.061 6.783 166 HD22 LEU 44 HD22 LEU 44 -1.939 -0.874 5.635 167 HD23 LEU 44 HD23 LEU 44 -2.045 0.873 5.850 168 H THR 45 HN THR 45 -1.444 -0.254 0.467 169 HA THR 45 HA THR 45 -3.691 1.264 -0.156 170 HB THR 45 HB THR 45 -3.206 0.606 -2.560 171 HG1 THR 45 HG1 THR 45 -0.888 -0.608 -1.460 172 HG21 THR 45 HG21 THR 45 -2.266 2.619 -1.624 173 HG22 THR 45 HG22 THR 45 -1.031 1.811 -2.590 174 HG23 THR 45 HG23 THR 45 -0.988 1.699 -0.831 175 H THR 46 HN THR 46 -3.390 -2.168 0.146 176 HA THR 46 HA THR 46 -5.464 -3.020 -1.529 177 HB THR 46 HB THR 46 -4.629 -4.254 1.104 178 HG1 THR 46 HG1 THR 46 -2.864 -4.707 0.037 179 HG21 THR 46 HG21 THR 46 -6.803 -5.053 0.190 180 HG22 THR 46 HG22 THR 46 -5.563 -6.307 0.243 181 HG23 THR 46 HG23 THR 46 -5.964 -5.528 -1.288 182 H LEU 47 HN LEU 47 -5.607 -2.520 2.007 183 HA LEU 47 HA LEU 47 -8.464 -2.618 2.024 184 HB2 LEU 47 HB2 LEU 47 -6.294 -2.243 4.024 185 HB3 LEU 47 HB1 LEU 47 -7.906 -1.723 4.452 186 HG LEU 47 HG LEU 47 -8.754 -3.998 4.056 187 HD11 LEU 47 HD11 LEU 47 -5.860 -4.689 3.571 188 HD12 LEU 47 HD12 LEU 47 -7.141 -4.685 2.359 189 HD13 LEU 47 HD13 LEU 47 -7.194 -5.837 3.694 190 HD21 LEU 47 HD21 LEU 47 -8.033 -3.351 6.295 191 HD22 LEU 47 HD22 LEU 47 -6.390 -3.877 5.926 192 HD23 LEU 47 HD23 LEU 47 -7.700 -5.056 5.989 193 H PHE 48 HN PHE 48 -6.004 -0.102 2.283 194 HA PHE 48 HA PHE 48 -7.593 2.049 3.013 195 HB2 PHE 48 HB2 PHE 48 -5.141 2.133 2.957 196 HB3 PHE 48 HB1 PHE 48 -5.171 2.060 1.199 197 HD1 PHE 48 HD1 PHE 48 -5.497 3.999 -0.098 198 HD2 PHE 48 HD2 PHE 48 -6.081 4.135 4.116 199 HE1 PHE 48 HE1 PHE 48 -5.621 6.455 -0.198 200 HE2 PHE 48 HE2 PHE 48 -6.207 6.591 4.023 201 HZ PHE 48 HZ PHE 48 -5.976 7.753 1.869 202 H CYS 49 HN CYS 49 -7.237 0.510 -0.109 203 HA CYS 49 HA CYS 49 -8.567 2.640 -1.530 204 HB2 CYS 49 HB2 CYS 49 -6.884 1.310 -2.685 205 HB3 CYS 49 HB1 CYS 49 -7.815 -0.156 -2.401 206 HG CYS 49 HG CYS 49 -8.995 2.447 -4.277 207 H LEU 50 HN LEU 50 -9.415 -0.540 -0.269 208 HA LEU 50 HA LEU 50 -12.009 -0.649 -1.429 209 HB2 LEU 50 HB2 LEU 50 -10.947 -2.074 1.015 210 HB3 LEU 50 HB1 LEU 50 -12.393 -2.509 0.111 211 HG LEU 50 HG LEU 50 -9.670 -2.492 -1.174 212 HD11 LEU 50 HD11 LEU 50 -9.522 -4.878 -0.739 213 HD12 LEU 50 HD12 LEU 50 -11.017 -4.816 0.195 214 HD13 LEU 50 HD13 LEU 50 -9.579 -3.973 0.775 215 HD21 LEU 50 HD21 LEU 50 -11.560 -2.504 -2.688 216 HD22 LEU 50 HD22 LEU 50 -12.270 -3.872 -1.829 217 HD23 LEU 50 HD23 LEU 50 -10.757 -4.074 -2.713 218 H LEU 51 HN LEU 51 -10.720 0.869 1.397 219 HA LEU 51 HA LEU 51 -13.254 1.148 2.735 220 HB2 LEU 51 HB2 LEU 51 -10.575 2.443 3.227 221 HB3 LEU 51 HB1 LEU 51 -11.978 2.649 4.258 222 HG LEU 51 HG LEU 51 -10.667 -0.015 3.713 223 HD11 LEU 51 HD11 LEU 51 -9.707 0.180 5.940 224 HD12 LEU 51 HD12 LEU 51 -10.386 1.799 6.105 225 HD13 LEU 51 HD13 LEU 51 -9.140 1.483 4.898 226 HD21 LEU 51 HD21 LEU 51 -12.712 0.843 5.758 227 HD22 LEU 51 HD22 LEU 51 -11.989 -0.760 5.628 228 HD23 LEU 51 HD23 LEU 51 -13.024 -0.151 4.336 229 H HIS 52 HN HIS 52 -11.106 3.256 0.866 230 HA HIS 52 HA HIS 52 -12.844 5.524 1.114 231 HB2 HIS 52 HB2 HIS 52 -10.349 4.956 -0.457 232 HB3 HIS 52 HB1 HIS 52 -11.284 6.417 -0.752 233 HD1 HIS 52 HD1 HIS 52 -10.954 8.331 0.841 234 HD2 HIS 52 HD2 HIS 52 -9.250 4.799 2.215 235 HE1 HIS 52 HE1 HIS 52 -9.619 8.974 2.872 236 HE2 HIS 52 HE2 HIS 52 -8.548 6.831 3.651 237 H PHE 53 HN PHE 53 -12.527 2.867 -1.099 238 HA PHE 53 HA PHE 53 -14.014 4.149 -3.211 239 HB2 PHE 53 HB2 PHE 53 -12.289 2.344 -3.585 240 HB3 PHE 53 HB1 PHE 53 -13.437 1.199 -2.902 241 HD1 PHE 53 HD1 PHE 53 -15.337 0.456 -4.138 242 HD2 PHE 53 HD2 PHE 53 -12.739 3.423 -5.737 243 HE1 PHE 53 HE1 PHE 53 -16.376 0.166 -6.349 244 HE2 PHE 53 HE2 PHE 53 -13.772 3.138 -7.953 245 HZ PHE 53 HZ PHE 53 -15.587 1.518 -8.266 246 H GLY 54 HN GLY 54 -14.694 2.206 -0.428 247 HA2 GLY 54 HA2 GLY 54 -16.692 1.703 0.591 248 HA3 GLY 54 HA1 GLY 54 -17.475 2.782 -0.551 249 H VAL 55 HN VAL 55 -15.566 0.076 -1.650 250 HA VAL 55 HA VAL 55 -17.468 -0.964 -3.348 251 HB VAL 55 HB VAL 55 -15.231 -1.690 -3.611 252 HG11 VAL 55 HG11 VAL 55 -15.422 -2.717 -0.802 253 HG12 VAL 55 HG12 VAL 55 -14.350 -1.470 -1.430 254 HG13 VAL 55 HG13 VAL 55 -14.121 -3.153 -1.907 255 HG21 VAL 55 HG21 VAL 55 -15.426 -4.110 -3.711 256 HG22 VAL 55 HG22 VAL 55 -16.930 -3.349 -4.227 257 HG23 VAL 55 HG23 VAL 55 -16.807 -4.059 -2.617 258 H ILE 56 HN ILE 56 -16.883 -1.750 0.025 259 HA ILE 56 HA ILE 56 -19.564 -2.891 0.195 260 HB ILE 56 HB ILE 56 -18.249 -4.587 1.868 261 HG12 ILE 56 HG12 ILE 56 -16.432 -5.604 0.448 262 HG13 ILE 56 HG11 ILE 56 -16.510 -4.169 -0.567 263 HG21 ILE 56 HG21 ILE 56 -18.953 -5.052 -1.024 264 HG22 ILE 56 HG22 ILE 56 -20.048 -5.173 0.351 265 HG23 ILE 56 HG23 ILE 56 -18.711 -6.311 0.186 266 HD11 ILE 56 HD11 ILE 56 -15.788 -4.239 2.354 267 HD12 ILE 56 HD12 ILE 56 -15.890 -2.789 1.355 268 HD13 ILE 56 HD13 ILE 56 -14.678 -4.018 1.000 269 H GLY 57 HN GLY 57 -17.549 -0.673 1.249 270 HA2 GLY 57 HA2 GLY 57 -18.896 -0.434 3.815 271 HA3 GLY 57 HA1 GLY 57 -17.148 -0.601 3.884 272 HA PRO 58 HA PRO 58 -18.194 3.600 1.589 273 HB2 PRO 58 HB2 PRO 58 -20.834 4.174 2.783 274 HB3 PRO 58 HB1 PRO 58 -20.286 4.371 1.116 275 HG2 PRO 58 HG2 PRO 58 -21.990 2.423 1.799 276 HG3 PRO 58 HG1 PRO 58 -20.741 2.172 0.564 277 HD2 PRO 58 HD2 PRO 58 -20.780 1.293 3.427 278 HD3 PRO 58 HD1 PRO 58 -20.225 0.415 1.986 279 H GLN 59 HN GLN 59 -16.584 4.241 3.023 280 HA GLN 59 HA GLN 59 -17.489 5.347 5.594 281 HB2 GLN 59 HB2 GLN 59 -14.694 4.586 4.723 282 HB3 GLN 59 HB1 GLN 59 -15.141 5.207 6.305 283 HG2 GLN 59 HG2 GLN 59 -16.028 2.597 5.100 284 HG3 GLN 59 HG1 GLN 59 -14.831 2.810 6.375 285 HE21 GLN 59 HE21 GLN 59 -17.317 1.296 6.392 286 HE22 GLN 59 HE22 GLN 59 -18.260 1.933 7.691 287 H ARG 60 HN ARG 60 -17.431 6.506 2.742 288 HA ARG 60 HA ARG 60 -15.536 8.603 2.713 289 HB2 ARG 60 HB2 ARG 60 -18.212 8.430 1.314 290 HB3 ARG 60 HB1 ARG 60 -16.933 9.573 0.932 291 HG2 ARG 60 HG2 ARG 60 -15.467 7.730 0.293 292 HG3 ARG 60 HG1 ARG 60 -16.745 6.578 0.683 293 HD2 ARG 60 HD2 ARG 60 -16.646 7.004 -1.718 294 HD3 ARG 60 HD1 ARG 60 -18.170 7.566 -1.033 295 HE ARG 60 HE ARG 60 -16.591 9.773 -0.987 296 HH11 ARG 60 HH11 ARG 60 -17.501 7.508 -3.473 297 HH12 ARG 60 HH12 ARG 60 -17.415 8.676 -4.749 298 HH21 ARG 60 HH21 ARG 60 -16.472 11.318 -2.662 299 HH22 ARG 60 HH22 ARG 60 -16.829 10.841 -4.289 Start of MODEL 10 1 H1 ARG 28 HT1 ARG 28 26.377 5.620 -3.922 2 H2 ARG 28 HT2 ARG 28 25.805 5.206 -5.458 3 H3 ARG 28 HT3 ARG 28 27.312 4.641 -4.938 4 HA ARG 28 HA ARG 28 25.687 2.887 -4.828 5 HB2 ARG 28 HB2 ARG 28 27.482 2.891 -3.177 6 HB3 ARG 28 HB1 ARG 28 26.548 3.949 -2.129 7 HG2 ARG 28 HG2 ARG 28 26.453 1.691 -1.305 8 HG3 ARG 28 HG1 ARG 28 24.858 2.177 -1.882 9 HD2 ARG 28 HD2 ARG 28 25.307 -0.069 -2.615 10 HD3 ARG 28 HD1 ARG 28 25.322 1.004 -4.013 11 HE ARG 28 HE ARG 28 27.936 0.675 -2.972 12 HH11 ARG 28 HH11 ARG 28 25.485 -0.960 -4.833 13 HH12 ARG 28 HH12 ARG 28 26.617 -1.947 -5.697 14 HH21 ARG 28 HH21 ARG 28 29.434 -0.623 -4.102 15 HH22 ARG 28 HH22 ARG 28 28.861 -1.757 -5.280 16 H ARG 29 HN ARG 29 23.572 3.064 -5.321 17 HA ARG 29 HA ARG 29 21.795 4.663 -3.671 18 HB2 ARG 29 HB2 ARG 29 21.371 3.044 -6.181 19 HB3 ARG 29 HB1 ARG 29 20.050 3.812 -5.315 20 HG2 ARG 29 HG2 ARG 29 20.615 5.277 -7.060 21 HG3 ARG 29 HG1 ARG 29 21.300 5.990 -5.598 22 HD2 ARG 29 HD2 ARG 29 22.849 6.077 -7.514 23 HD3 ARG 29 HD1 ARG 29 23.490 5.142 -6.164 24 HE ARG 29 HE ARG 29 22.175 3.412 -7.946 25 HH11 ARG 29 HH11 ARG 29 25.040 5.383 -7.737 26 HH12 ARG 29 HH12 ARG 29 25.961 4.385 -8.811 27 HH21 ARG 29 HH21 ARG 29 23.380 2.091 -9.361 28 HH22 ARG 29 HH22 ARG 29 25.018 2.514 -9.735 29 H CYS 30 HN CYS 30 19.908 3.802 -2.652 30 HA CYS 30 HA CYS 30 20.349 1.093 -1.632 31 HB2 CYS 30 HB2 CYS 30 18.565 3.306 -0.598 32 HB3 CYS 30 HB1 CYS 30 18.786 1.737 0.167 33 HG CYS 30 HG CYS 30 21.669 2.292 0.372 34 H LEU 31 HN LEU 31 19.484 -0.182 -3.244 35 HA LEU 31 HA LEU 31 16.831 0.308 -4.266 36 HB2 LEU 31 HB2 LEU 31 18.555 -0.648 -5.709 37 HB3 LEU 31 HB1 LEU 31 18.707 -2.028 -4.640 38 HG LEU 31 HG LEU 31 16.342 -2.633 -5.174 39 HD11 LEU 31 HD11 LEU 31 15.296 -1.610 -7.130 40 HD12 LEU 31 HD12 LEU 31 16.625 -0.456 -7.241 41 HD13 LEU 31 HD13 LEU 31 15.548 -0.430 -5.844 42 HD21 LEU 31 HD21 LEU 31 16.842 -3.519 -7.394 43 HD22 LEU 31 HD22 LEU 31 18.217 -3.707 -6.307 44 HD23 LEU 31 HD23 LEU 31 18.224 -2.430 -7.523 45 H PHE 32 HN PHE 32 18.382 -2.105 -2.179 46 HA PHE 32 HA PHE 32 16.125 -3.687 -1.691 47 HB2 PHE 32 HB2 PHE 32 18.320 -4.497 -1.118 48 HB3 PHE 32 HB1 PHE 32 18.574 -3.166 0.003 49 HD1 PHE 32 HD1 PHE 32 16.572 -6.222 -0.583 50 HD2 PHE 32 HD2 PHE 32 17.884 -3.317 2.238 51 HE1 PHE 32 HE1 PHE 32 15.671 -7.598 1.249 52 HE2 PHE 32 HE2 PHE 32 16.987 -4.687 4.073 53 HZ PHE 32 HZ PHE 32 15.878 -6.830 3.579 54 H LEU 33 HN LEU 33 17.439 -0.942 0.148 55 HA LEU 33 HA LEU 33 15.547 -0.956 2.210 56 HB2 LEU 33 HB2 LEU 33 17.082 1.357 1.042 57 HB3 LEU 33 HB1 LEU 33 16.188 1.411 2.550 58 HG LEU 33 HG LEU 33 18.651 -0.224 1.953 59 HD11 LEU 33 HD11 LEU 33 18.095 2.009 3.893 60 HD12 LEU 33 HD12 LEU 33 19.073 2.113 2.429 61 HD13 LEU 33 HD13 LEU 33 19.604 1.106 3.776 62 HD21 LEU 33 HD21 LEU 33 16.895 -0.232 4.406 63 HD22 LEU 33 HD22 LEU 33 18.492 -0.974 4.301 64 HD23 LEU 33 HD23 LEU 33 17.171 -1.578 3.301 65 H SER 34 HN SER 34 15.449 0.419 -1.013 66 HA SER 34 HA SER 34 13.105 1.989 -0.598 67 HB2 SER 34 HB2 SER 34 14.682 2.498 -2.408 68 HB3 SER 34 HB1 SER 34 14.322 0.948 -3.169 69 HG SER 34 HG SER 34 12.056 2.337 -2.676 70 H LEU 35 HN LEU 35 13.732 -1.314 -1.533 71 HA LEU 35 HA LEU 35 11.041 -1.838 -2.409 72 HB2 LEU 35 HB2 LEU 35 12.995 -3.055 -3.305 73 HB3 LEU 35 HB1 LEU 35 13.265 -3.758 -1.722 74 HG LEU 35 HG LEU 35 11.097 -4.913 -1.863 75 HD11 LEU 35 HD11 LEU 35 9.904 -3.349 -3.286 76 HD12 LEU 35 HD12 LEU 35 9.891 -4.962 -4.000 77 HD13 LEU 35 HD13 LEU 35 10.979 -3.726 -4.633 78 HD21 LEU 35 HD21 LEU 35 11.732 -6.528 -3.583 79 HD22 LEU 35 HD22 LEU 35 13.123 -6.040 -2.614 80 HD23 LEU 35 HD23 LEU 35 12.900 -5.378 -4.233 81 H PHE 36 HN PHE 36 12.703 -1.762 0.579 82 HA PHE 36 HA PHE 36 11.039 -3.609 1.994 83 HB2 PHE 36 HB2 PHE 36 13.360 -3.001 2.691 84 HB3 PHE 36 HB1 PHE 36 12.773 -1.396 3.112 85 HD1 PHE 36 HD1 PHE 36 12.700 -4.954 4.001 86 HD2 PHE 36 HD2 PHE 36 11.505 -1.022 5.107 87 HE1 PHE 36 HE1 PHE 36 12.112 -5.769 6.247 88 HE2 PHE 36 HE2 PHE 36 10.915 -1.829 7.355 89 HZ PHE 36 HZ PHE 36 11.218 -4.205 7.927 90 H SER 37 HN SER 37 10.938 -0.192 1.287 91 HA SER 37 HA SER 37 8.712 0.235 3.124 92 HB2 SER 37 HB2 SER 37 10.160 2.171 1.299 93 HB3 SER 37 HB1 SER 37 8.907 2.608 2.461 94 HG SER 37 HG SER 37 10.362 1.604 4.066 95 H PHE 38 HN PHE 38 8.956 -1.117 0.224 96 HA PHE 38 HA PHE 38 6.684 0.251 -1.015 97 HB2 PHE 38 HB2 PHE 38 8.820 -0.435 -2.281 98 HB3 PHE 38 HB1 PHE 38 8.192 -2.074 -2.176 99 HD1 PHE 38 HD1 PHE 38 7.568 1.286 -3.550 100 HD2 PHE 38 HD2 PHE 38 6.436 -2.817 -3.575 101 HE1 PHE 38 HE1 PHE 38 6.202 1.679 -5.559 102 HE2 PHE 38 HE2 PHE 38 5.069 -2.431 -5.585 103 HZ PHE 38 HZ PHE 38 4.968 -0.180 -6.590 104 H LEU 39 HN LEU 39 7.452 -2.522 0.830 105 HA LEU 39 HA LEU 39 5.204 -4.101 -0.047 106 HB2 LEU 39 HB2 LEU 39 7.351 -5.076 0.783 107 HB3 LEU 39 HB1 LEU 39 6.952 -4.486 2.385 108 HG LEU 39 HG LEU 39 5.008 -6.263 0.992 109 HD11 LEU 39 HD11 LEU 39 7.513 -7.217 2.370 110 HD12 LEU 39 HD12 LEU 39 7.121 -7.405 0.661 111 HD13 LEU 39 HD13 LEU 39 6.160 -8.239 1.882 112 HD21 LEU 39 HD21 LEU 39 5.853 -5.889 3.863 113 HD22 LEU 39 HD22 LEU 39 4.627 -7.031 3.309 114 HD23 LEU 39 HD23 LEU 39 4.369 -5.297 3.115 115 H ILE 40 HN ILE 40 5.999 -1.975 2.635 116 HA ILE 40 HA ILE 40 3.610 -2.522 4.116 117 HB ILE 40 HB ILE 40 5.484 -0.162 4.338 118 HG12 ILE 40 HG12 ILE 40 5.445 -2.723 5.949 119 HG13 ILE 40 HG11 ILE 40 6.575 -2.393 4.641 120 HG21 ILE 40 HG21 ILE 40 3.330 0.262 5.377 121 HG22 ILE 40 HG22 ILE 40 4.573 0.053 6.609 122 HG23 ILE 40 HG23 ILE 40 3.440 -1.256 6.269 123 HD11 ILE 40 HD11 ILE 40 7.581 -2.005 6.821 124 HD12 ILE 40 HD12 ILE 40 6.333 -0.817 7.193 125 HD13 ILE 40 HD13 ILE 40 7.480 -0.511 5.889 126 H VAL 41 HN VAL 41 4.567 -0.254 1.641 127 HA VAL 41 HA VAL 41 2.333 1.503 1.985 128 HB VAL 41 HB VAL 41 4.561 2.128 0.947 129 HG11 VAL 41 HG11 VAL 41 3.349 0.765 -1.446 130 HG12 VAL 41 HG12 VAL 41 4.763 0.225 -0.544 131 HG13 VAL 41 HG13 VAL 41 4.818 1.741 -1.441 132 HG21 VAL 41 HG21 VAL 41 2.021 2.784 -0.545 133 HG22 VAL 41 HG22 VAL 41 3.530 3.688 -0.662 134 HG23 VAL 41 HG23 VAL 41 2.657 3.626 0.869 135 H LEU 42 HN LEU 42 2.901 -1.454 0.308 136 HA LEU 42 HA LEU 42 0.715 -1.141 -1.547 137 HB2 LEU 42 HB2 LEU 42 2.911 -2.574 -1.747 138 HB3 LEU 42 HB1 LEU 42 1.962 -3.783 -0.895 139 HG LEU 42 HG LEU 42 1.934 -4.141 -3.320 140 HD11 LEU 42 HD11 LEU 42 0.001 -4.830 -1.984 141 HD12 LEU 42 HD12 LEU 42 -0.461 -4.359 -3.619 142 HD13 LEU 42 HD13 LEU 42 -0.750 -3.261 -2.271 143 HD21 LEU 42 HD21 LEU 42 2.200 -1.819 -4.030 144 HD22 LEU 42 HD22 LEU 42 0.569 -1.456 -3.463 145 HD23 LEU 42 HD23 LEU 42 0.808 -2.574 -4.805 146 H LEU 43 HN LEU 43 1.352 -3.210 1.289 147 HA LEU 43 HA LEU 43 -1.096 -4.501 1.413 148 HB2 LEU 43 HB2 LEU 43 0.699 -3.638 3.681 149 HB3 LEU 43 HB1 LEU 43 -0.638 -4.760 3.848 150 HG LEU 43 HG LEU 43 1.819 -5.210 2.149 151 HD11 LEU 43 HD11 LEU 43 0.982 -6.405 4.787 152 HD12 LEU 43 HD12 LEU 43 2.329 -5.299 4.519 153 HD13 LEU 43 HD13 LEU 43 2.366 -6.918 3.821 154 HD21 LEU 43 HD21 LEU 43 -0.517 -7.015 2.772 155 HD22 LEU 43 HD22 LEU 43 0.950 -7.496 1.921 156 HD23 LEU 43 HD23 LEU 43 -0.133 -6.303 1.205 157 H LEU 44 HN LEU 44 -0.222 -1.281 2.509 158 HA LEU 44 HA LEU 44 -2.650 -0.843 3.959 159 HB2 LEU 44 HB2 LEU 44 -0.485 1.004 2.980 160 HB3 LEU 44 HB1 LEU 44 -1.904 1.589 3.826 161 HG LEU 44 HG LEU 44 0.131 -0.341 4.951 162 HD11 LEU 44 HD11 LEU 44 0.728 1.540 6.419 163 HD12 LEU 44 HD12 LEU 44 -0.369 2.579 5.508 164 HD13 LEU 44 HD13 LEU 44 1.048 1.887 4.719 165 HD21 LEU 44 HD21 LEU 44 -2.090 -0.741 5.858 166 HD22 LEU 44 HD22 LEU 44 -2.266 0.975 6.227 167 HD23 LEU 44 HD23 LEU 44 -1.054 0.012 7.071 168 H THR 45 HN THR 45 -1.433 0.275 0.802 169 HA THR 45 HA THR 45 -3.695 1.750 0.071 170 HB THR 45 HB THR 45 -2.915 1.273 -2.321 171 HG1 THR 45 HG1 THR 45 -0.547 0.524 -2.075 172 HG21 THR 45 HG21 THR 45 -0.973 2.465 -0.339 173 HG22 THR 45 HG22 THR 45 -2.319 3.305 -1.109 174 HG23 THR 45 HG23 THR 45 -0.961 2.739 -2.081 175 H THR 46 HN THR 46 -3.189 -1.664 0.159 176 HA THR 46 HA THR 46 -5.081 -2.460 -1.777 177 HB THR 46 HB THR 46 -4.222 -3.952 0.711 178 HG1 THR 46 HG1 THR 46 -3.250 -4.393 -1.909 179 HG21 THR 46 HG21 THR 46 -6.285 -4.844 -0.294 180 HG22 THR 46 HG22 THR 46 -4.930 -5.956 -0.494 181 HG23 THR 46 HG23 THR 46 -5.466 -4.966 -1.851 182 H LEU 47 HN LEU 47 -5.399 -2.396 1.785 183 HA LEU 47 HA LEU 47 -8.226 -2.785 1.663 184 HB2 LEU 47 HB2 LEU 47 -6.180 -2.402 3.783 185 HB3 LEU 47 HB1 LEU 47 -7.848 -2.076 4.191 186 HG LEU 47 HG LEU 47 -8.458 -4.369 3.522 187 HD11 LEU 47 HD11 LEU 47 -6.687 -6.008 3.098 188 HD12 LEU 47 HD12 LEU 47 -5.491 -4.712 3.113 189 HD13 LEU 47 HD13 LEU 47 -6.732 -4.753 1.861 190 HD21 LEU 47 HD21 LEU 47 -7.375 -5.520 5.398 191 HD22 LEU 47 HD22 LEU 47 -7.931 -3.908 5.848 192 HD23 LEU 47 HD23 LEU 47 -6.220 -4.195 5.536 193 H PHE 48 HN PHE 48 -6.093 -0.045 2.349 194 HA PHE 48 HA PHE 48 -7.995 1.812 3.156 195 HB2 PHE 48 HB2 PHE 48 -5.636 2.267 3.392 196 HB3 PHE 48 HB1 PHE 48 -5.407 2.226 1.648 197 HD1 PHE 48 HD1 PHE 48 -5.634 4.168 0.372 198 HD2 PHE 48 HD2 PHE 48 -7.098 4.094 4.367 199 HE1 PHE 48 HE1 PHE 48 -6.032 6.594 0.266 200 HE2 PHE 48 HE2 PHE 48 -7.501 6.519 4.268 201 HZ PHE 48 HZ PHE 48 -6.960 7.774 2.212 202 H CYS 49 HN CYS 49 -7.202 0.674 -0.051 203 HA CYS 49 HA CYS 49 -8.624 2.787 -1.395 204 HB2 CYS 49 HB2 CYS 49 -6.742 1.720 -2.511 205 HB3 CYS 49 HB1 CYS 49 -7.544 0.155 -2.421 206 HG CYS 49 HG CYS 49 -9.475 0.678 -4.266 207 H LEU 50 HN LEU 50 -9.226 -0.608 -0.606 208 HA LEU 50 HA LEU 50 -11.716 -0.807 -1.933 209 HB2 LEU 50 HB2 LEU 50 -10.686 -2.383 0.430 210 HB3 LEU 50 HB1 LEU 50 -12.033 -2.842 -0.607 211 HG LEU 50 HG LEU 50 -9.227 -2.483 -1.651 212 HD11 LEU 50 HD11 LEU 50 -8.976 -4.897 -1.525 213 HD12 LEU 50 HD12 LEU 50 -10.550 -5.034 -0.739 214 HD13 LEU 50 HD13 LEU 50 -9.223 -4.212 0.082 215 HD21 LEU 50 HD21 LEU 50 -10.053 -3.838 -3.504 216 HD22 LEU 50 HD22 LEU 50 -11.019 -2.376 -3.306 217 HD23 LEU 50 HD23 LEU 50 -11.641 -3.927 -2.741 218 H LEU 51 HN LEU 51 -10.773 0.425 1.174 219 HA LEU 51 HA LEU 51 -13.437 0.422 2.268 220 HB2 LEU 51 HB2 LEU 51 -10.878 1.720 3.201 221 HB3 LEU 51 HB1 LEU 51 -12.386 1.768 4.095 222 HG LEU 51 HG LEU 51 -10.890 -0.760 3.394 223 HD11 LEU 51 HD11 LEU 51 -10.302 -0.829 5.768 224 HD12 LEU 51 HD12 LEU 51 -11.049 0.752 5.997 225 HD13 LEU 51 HD13 LEU 51 -9.625 0.590 4.970 226 HD21 LEU 51 HD21 LEU 51 -13.273 -0.264 5.175 227 HD22 LEU 51 HD22 LEU 51 -12.417 -1.798 5.016 228 HD23 LEU 51 HD23 LEU 51 -13.278 -1.120 3.633 229 H HIS 52 HN HIS 52 -11.228 2.829 0.902 230 HA HIS 52 HA HIS 52 -12.804 5.098 1.367 231 HB2 HIS 52 HB2 HIS 52 -10.437 5.204 0.703 232 HB3 HIS 52 HB1 HIS 52 -10.857 4.593 -0.893 233 HD1 HIS 52 HD1 HIS 52 -12.015 6.232 -2.525 234 HD2 HIS 52 HD2 HIS 52 -11.019 7.907 1.145 235 HE1 HIS 52 HE1 HIS 52 -12.266 8.715 -2.829 236 HE2 HIS 52 HE2 HIS 52 -11.696 9.708 -0.584 237 H PHE 53 HN PHE 53 -12.694 2.894 -1.414 238 HA PHE 53 HA PHE 53 -14.765 4.358 -2.798 239 HB2 PHE 53 HB2 PHE 53 -13.274 1.811 -3.406 240 HB3 PHE 53 HB1 PHE 53 -14.610 2.375 -4.404 241 HD1 PHE 53 HD1 PHE 53 -14.178 3.793 -6.172 242 HD2 PHE 53 HD2 PHE 53 -11.363 3.527 -2.994 243 HE1 PHE 53 HE1 PHE 53 -12.630 5.233 -7.430 244 HE2 PHE 53 HE2 PHE 53 -9.809 4.967 -4.245 245 HZ PHE 53 HZ PHE 53 -10.448 5.825 -6.471 246 H GLY 54 HN GLY 54 -14.568 1.685 -0.613 247 HA2 GLY 54 HA2 GLY 54 -16.225 0.482 0.436 248 HA3 GLY 54 HA1 GLY 54 -17.382 1.619 -0.240 249 H VAL 55 HN VAL 55 -15.220 -0.183 -2.282 250 HA VAL 55 HA VAL 55 -17.126 -1.125 -4.019 251 HB VAL 55 HB VAL 55 -14.853 -1.202 -4.683 252 HG11 VAL 55 HG11 VAL 55 -13.199 -2.692 -3.646 253 HG12 VAL 55 HG12 VAL 55 -14.388 -3.119 -2.419 254 HG13 VAL 55 HG13 VAL 55 -13.800 -1.463 -2.533 255 HG21 VAL 55 HG21 VAL 55 -15.799 -4.045 -4.367 256 HG22 VAL 55 HG22 VAL 55 -14.598 -3.471 -5.523 257 HG23 VAL 55 HG23 VAL 55 -16.275 -2.942 -5.656 258 H ILE 56 HN ILE 56 -15.839 -2.753 -1.158 259 HA ILE 56 HA ILE 56 -18.229 -4.378 -1.028 260 HB ILE 56 HB ILE 56 -16.612 -6.440 -0.600 261 HG12 ILE 56 HG12 ILE 56 -14.771 -6.478 -2.213 262 HG13 ILE 56 HG11 ILE 56 -15.147 -4.835 -2.712 263 HG21 ILE 56 HG21 ILE 56 -17.462 -5.508 -3.328 264 HG22 ILE 56 HG22 ILE 56 -18.475 -6.355 -2.160 265 HG23 ILE 56 HG23 ILE 56 -17.078 -7.166 -2.866 266 HD11 ILE 56 HD11 ILE 56 -14.022 -5.742 -0.078 267 HD12 ILE 56 HD12 ILE 56 -14.598 -4.103 -0.386 268 HD13 ILE 56 HD13 ILE 56 -13.244 -4.749 -1.311 269 H GLY 57 HN GLY 57 -15.874 -5.906 0.764 270 HA2 GLY 57 HA2 GLY 57 -15.011 -5.394 2.927 271 HA3 GLY 57 HA1 GLY 57 -16.232 -4.139 3.076 272 HA PRO 58 HA PRO 58 -18.526 -8.385 3.748 273 HB2 PRO 58 HB2 PRO 58 -16.886 -10.481 4.364 274 HB3 PRO 58 HB1 PRO 58 -17.487 -10.150 2.736 275 HG2 PRO 58 HG2 PRO 58 -14.836 -9.480 3.952 276 HG3 PRO 58 HG1 PRO 58 -15.201 -10.102 2.331 277 HD2 PRO 58 HD2 PRO 58 -14.653 -7.502 2.770 278 HD3 PRO 58 HD1 PRO 58 -15.817 -8.022 1.533 279 H GLN 59 HN GLN 59 -15.551 -9.077 5.532 280 HA GLN 59 HA GLN 59 -16.391 -7.757 7.916 281 HB2 GLN 59 HB2 GLN 59 -16.691 -9.791 9.296 282 HB3 GLN 59 HB1 GLN 59 -17.931 -9.621 8.061 283 HG2 GLN 59 HG2 GLN 59 -16.663 -11.221 6.649 284 HG3 GLN 59 HG1 GLN 59 -15.553 -11.462 7.997 285 HE21 GLN 59 HE21 GLN 59 -16.253 -12.567 9.822 286 HE22 GLN 59 HE22 GLN 59 -17.688 -13.529 9.823 287 H ARG 60 HN ARG 60 -14.050 -7.974 6.199 288 HA ARG 60 HA ARG 60 -12.108 -9.035 8.147 289 HB2 ARG 60 HB2 ARG 60 -12.162 -10.208 5.935 290 HB3 ARG 60 HB1 ARG 60 -11.691 -8.696 5.172 291 HG2 ARG 60 HG2 ARG 60 -9.756 -10.084 5.429 292 HG3 ARG 60 HG1 ARG 60 -9.619 -8.707 6.524 293 HD2 ARG 60 HD2 ARG 60 -8.944 -10.808 7.599 294 HD3 ARG 60 HD1 ARG 60 -10.344 -10.082 8.387 295 HE ARG 60 HE ARG 60 -11.119 -11.979 6.412 296 HH11 ARG 60 HH11 ARG 60 -9.917 -11.684 9.670 297 HH12 ARG 60 HH12 ARG 60 -10.590 -13.191 10.192 298 HH21 ARG 60 HH21 ARG 60 -12.011 -13.963 7.092 299 HH22 ARG 60 HH22 ARG 60 -11.780 -14.487 8.727 Start of MODEL 11 1 H1 ARG 28 HT1 ARG 28 20.880 9.798 -4.730 2 H2 ARG 28 HT2 ARG 28 19.550 8.930 -4.149 3 H3 ARG 28 HT3 ARG 28 20.900 8.106 -4.748 4 HA ARG 28 HA ARG 28 22.261 8.968 -2.958 5 HB2 ARG 28 HB2 ARG 28 19.653 10.120 -1.948 6 HB3 ARG 28 HB1 ARG 28 21.191 10.156 -1.097 7 HG2 ARG 28 HG2 ARG 28 22.135 11.529 -2.906 8 HG3 ARG 28 HG1 ARG 28 20.558 11.532 -3.700 9 HD2 ARG 28 HD2 ARG 28 19.585 12.601 -1.709 10 HD3 ARG 28 HD1 ARG 28 21.183 12.641 -0.967 11 HE ARG 28 HE ARG 28 21.135 13.918 -3.522 12 HH11 ARG 28 HH11 ARG 28 20.409 14.351 -0.142 13 HH12 ARG 28 HH12 ARG 28 20.582 16.073 -0.193 14 HH21 ARG 28 HH21 ARG 28 21.366 16.185 -3.599 15 HH22 ARG 28 HH22 ARG 28 21.127 17.116 -2.159 16 H ARG 29 HN ARG 29 18.975 7.708 -2.904 17 HA ARG 29 HA ARG 29 19.681 5.852 -0.755 18 HB2 ARG 29 HB2 ARG 29 17.059 6.607 -2.037 19 HB3 ARG 29 HB1 ARG 29 17.206 5.243 -0.938 20 HG2 ARG 29 HG2 ARG 29 16.428 7.051 0.351 21 HG3 ARG 29 HG1 ARG 29 18.134 6.860 0.759 22 HD2 ARG 29 HD2 ARG 29 17.558 9.211 0.472 23 HD3 ARG 29 HD1 ARG 29 18.705 8.687 -0.758 24 HE ARG 29 HE ARG 29 16.156 8.389 -1.824 25 HH11 ARG 29 HH11 ARG 29 18.222 10.960 -0.700 26 HH12 ARG 29 HH12 ARG 29 17.546 12.144 -1.767 27 HH21 ARG 29 HH21 ARG 29 15.259 9.939 -3.232 28 HH22 ARG 29 HH22 ARG 29 15.861 11.563 -3.210 29 H CYS 30 HN CYS 30 19.133 3.574 -0.970 30 HA CYS 30 HA CYS 30 19.887 2.578 -3.594 31 HB2 CYS 30 HB2 CYS 30 19.469 1.117 -0.977 32 HB3 CYS 30 HB1 CYS 30 20.100 0.398 -2.455 33 HG CYS 30 HG CYS 30 22.125 2.735 -2.192 34 H LEU 31 HN LEU 31 18.622 1.415 -4.941 35 HA LEU 31 HA LEU 31 15.806 1.634 -4.702 36 HB2 LEU 31 HB2 LEU 31 17.097 1.592 -6.844 37 HB3 LEU 31 HB1 LEU 31 17.375 -0.120 -6.591 38 HG LEU 31 HG LEU 31 14.864 -0.422 -6.598 39 HD11 LEU 31 HD11 LEU 31 13.530 1.333 -7.636 40 HD12 LEU 31 HD12 LEU 31 14.942 2.391 -7.682 41 HD13 LEU 31 HD13 LEU 31 14.258 1.899 -6.132 42 HD21 LEU 31 HD21 LEU 31 14.708 -0.328 -9.039 43 HD22 LEU 31 HD22 LEU 31 16.249 -1.006 -8.513 44 HD23 LEU 31 HD23 LEU 31 16.169 0.658 -9.094 45 H PHE 32 HN PHE 32 18.034 -0.660 -3.528 46 HA PHE 32 HA PHE 32 16.180 -2.877 -3.471 47 HB2 PHE 32 HB2 PHE 32 18.888 -2.559 -2.158 48 HB3 PHE 32 HB1 PHE 32 17.970 -4.057 -2.262 49 HD1 PHE 32 HD1 PHE 32 17.557 -5.080 -4.504 50 HD2 PHE 32 HD2 PHE 32 20.243 -1.829 -3.936 51 HE1 PHE 32 HE1 PHE 32 18.613 -5.581 -6.668 52 HE2 PHE 32 HE2 PHE 32 21.304 -2.324 -6.101 53 HZ PHE 32 HZ PHE 32 20.493 -4.195 -7.470 54 H LEU 33 HN LEU 33 17.070 -0.245 -1.436 55 HA LEU 33 HA LEU 33 15.967 -1.444 0.965 56 HB2 LEU 33 HB2 LEU 33 17.389 1.075 0.320 57 HB3 LEU 33 HB1 LEU 33 16.408 1.011 1.772 58 HG LEU 33 HG LEU 33 18.708 0.502 2.287 59 HD11 LEU 33 HD11 LEU 33 16.984 -1.949 2.470 60 HD12 LEU 33 HD12 LEU 33 16.986 -0.597 3.602 61 HD13 LEU 33 HD13 LEU 33 18.417 -1.615 3.441 62 HD21 LEU 33 HD21 LEU 33 18.440 -1.809 0.382 63 HD22 LEU 33 HD22 LEU 33 19.833 -1.468 1.408 64 HD23 LEU 33 HD23 LEU 33 19.402 -0.356 0.109 65 H SER 34 HN SER 34 15.284 1.396 -1.066 66 HA SER 34 HA SER 34 12.957 2.238 0.196 67 HB2 SER 34 HB2 SER 34 13.646 2.419 -2.748 68 HB3 SER 34 HB1 SER 34 12.409 3.370 -1.928 69 HG SER 34 HG SER 34 14.833 4.090 -2.225 70 H LEU 35 HN LEU 35 13.493 -0.441 -1.937 71 HA LEU 35 HA LEU 35 10.815 -0.858 -2.759 72 HB2 LEU 35 HB2 LEU 35 13.094 -1.881 -3.599 73 HB3 LEU 35 HB1 LEU 35 12.744 -3.120 -2.412 74 HG LEU 35 HG LEU 35 12.043 -3.745 -4.696 75 HD11 LEU 35 HD11 LEU 35 10.903 -4.648 -2.687 76 HD12 LEU 35 HD12 LEU 35 9.885 -4.603 -4.126 77 HD13 LEU 35 HD13 LEU 35 9.682 -3.388 -2.865 78 HD21 LEU 35 HD21 LEU 35 11.457 -1.516 -5.510 79 HD22 LEU 35 HD22 LEU 35 10.072 -1.481 -4.419 80 HD23 LEU 35 HD23 LEU 35 10.130 -2.656 -5.733 81 H PHE 36 HN PHE 36 12.691 -1.865 0.038 82 HA PHE 36 HA PHE 36 10.957 -3.800 1.074 83 HB2 PHE 36 HB2 PHE 36 13.222 -3.462 1.939 84 HB3 PHE 36 HB1 PHE 36 12.763 -1.880 2.562 85 HD1 PHE 36 HD1 PHE 36 12.098 -5.507 2.900 86 HD2 PHE 36 HD2 PHE 36 11.801 -1.653 4.679 87 HE1 PHE 36 HE1 PHE 36 11.420 -6.546 5.026 88 HE2 PHE 36 HE2 PHE 36 11.123 -2.683 6.808 89 HZ PHE 36 HZ PHE 36 10.927 -5.134 6.981 90 H SER 37 HN SER 37 10.825 -0.316 1.151 91 HA SER 37 HA SER 37 8.698 -0.249 3.113 92 HB2 SER 37 HB2 SER 37 9.874 1.957 1.405 93 HB3 SER 37 HB1 SER 37 8.724 2.190 2.720 94 HG SER 37 HG SER 37 10.920 0.722 3.438 95 H PHE 38 HN PHE 38 8.992 -0.566 -0.273 96 HA PHE 38 HA PHE 38 6.479 0.588 -0.997 97 HB2 PHE 38 HB2 PHE 38 8.589 0.059 -2.471 98 HB3 PHE 38 HB1 PHE 38 7.820 -1.514 -2.647 99 HD1 PHE 38 HD1 PHE 38 7.621 2.036 -3.460 100 HD2 PHE 38 HD2 PHE 38 5.741 -1.759 -3.864 101 HE1 PHE 38 HE1 PHE 38 6.199 2.937 -5.254 102 HE2 PHE 38 HE2 PHE 38 4.315 -0.866 -5.659 103 HZ PHE 38 HZ PHE 38 4.544 1.484 -6.357 104 H LEU 39 HN LEU 39 7.419 -2.356 0.438 105 HA LEU 39 HA LEU 39 5.124 -3.853 -0.494 106 HB2 LEU 39 HB2 LEU 39 7.333 -4.912 0.036 107 HB3 LEU 39 HB1 LEU 39 7.046 -4.554 1.728 108 HG LEU 39 HG LEU 39 5.003 -6.128 0.236 109 HD11 LEU 39 HD11 LEU 39 7.563 -7.287 1.327 110 HD12 LEU 39 HD12 LEU 39 7.128 -7.172 -0.378 111 HD13 LEU 39 HD13 LEU 39 6.189 -8.201 0.704 112 HD21 LEU 39 HD21 LEU 39 4.746 -7.200 2.431 113 HD22 LEU 39 HD22 LEU 39 4.541 -5.451 2.523 114 HD23 LEU 39 HD23 LEU 39 6.047 -6.192 3.065 115 H ILE 40 HN ILE 40 6.174 -2.188 2.427 116 HA ILE 40 HA ILE 40 3.999 -2.918 4.070 117 HB ILE 40 HB ILE 40 5.645 -0.387 4.219 118 HG12 ILE 40 HG12 ILE 40 6.108 -3.031 5.617 119 HG13 ILE 40 HG11 ILE 40 6.997 -2.493 4.195 120 HG21 ILE 40 HG21 ILE 40 3.626 -0.283 5.563 121 HG22 ILE 40 HG22 ILE 40 5.044 -0.429 6.602 122 HG23 ILE 40 HG23 ILE 40 4.019 -1.833 6.308 123 HD11 ILE 40 HD11 ILE 40 8.261 -2.122 6.239 124 HD12 ILE 40 HD12 ILE 40 6.960 -1.112 6.869 125 HD13 ILE 40 HD13 ILE 40 7.867 -0.597 5.448 126 H VAL 41 HN VAL 41 4.493 -0.338 1.738 127 HA VAL 41 HA VAL 41 2.141 1.122 2.414 128 HB VAL 41 HB VAL 41 4.158 2.034 1.168 129 HG11 VAL 41 HG11 VAL 41 4.371 0.272 -0.476 130 HG12 VAL 41 HG12 VAL 41 4.127 1.829 -1.265 131 HG13 VAL 41 HG13 VAL 41 2.795 0.681 -1.147 132 HG21 VAL 41 HG21 VAL 41 1.400 2.512 0.040 133 HG22 VAL 41 HG22 VAL 41 2.789 3.575 -0.185 134 HG23 VAL 41 HG23 VAL 41 2.124 3.324 1.429 135 H LEU 42 HN LEU 42 2.821 -1.633 0.444 136 HA LEU 42 HA LEU 42 0.516 -1.509 -1.215 137 HB2 LEU 42 HB2 LEU 42 2.503 -3.633 -0.507 138 HB3 LEU 42 HB1 LEU 42 1.032 -4.075 -1.367 139 HG LEU 42 HG LEU 42 3.019 -2.020 -2.346 140 HD11 LEU 42 HD11 LEU 42 2.665 -4.908 -3.138 141 HD12 LEU 42 HD12 LEU 42 4.057 -4.209 -2.307 142 HD13 LEU 42 HD13 LEU 42 3.692 -3.738 -3.967 143 HD21 LEU 42 HD21 LEU 42 1.810 -2.295 -4.474 144 HD22 LEU 42 HD22 LEU 42 0.781 -1.655 -3.193 145 HD23 LEU 42 HD23 LEU 42 0.654 -3.350 -3.662 146 H LEU 43 HN LEU 43 1.271 -3.496 1.651 147 HA LEU 43 HA LEU 43 -1.175 -4.767 1.912 148 HB2 LEU 43 HB2 LEU 43 0.943 -3.978 3.872 149 HB3 LEU 43 HB1 LEU 43 -0.559 -4.666 4.458 150 HG LEU 43 HG LEU 43 1.179 -6.368 4.261 151 HD11 LEU 43 HD11 LEU 43 -0.059 -7.999 2.945 152 HD12 LEU 43 HD12 LEU 43 -0.994 -6.704 2.201 153 HD13 LEU 43 HD13 LEU 43 -1.148 -7.022 3.929 154 HD21 LEU 43 HD21 LEU 43 2.494 -5.383 2.472 155 HD22 LEU 43 HD22 LEU 43 1.183 -5.668 1.328 156 HD23 LEU 43 HD23 LEU 43 2.028 -7.033 2.060 157 H LEU 44 HN LEU 44 -0.243 -1.523 2.843 158 HA LEU 44 HA LEU 44 -2.595 -1.003 4.393 159 HB2 LEU 44 HB2 LEU 44 -0.486 0.799 3.217 160 HB3 LEU 44 HB1 LEU 44 -1.840 1.403 4.152 161 HG LEU 44 HG LEU 44 0.300 -0.476 5.163 162 HD11 LEU 44 HD11 LEU 44 0.951 1.443 6.556 163 HD12 LEU 44 HD12 LEU 44 -0.239 2.438 5.715 164 HD13 LEU 44 HD13 LEU 44 1.136 1.773 4.833 165 HD21 LEU 44 HD21 LEU 44 -1.841 -0.916 6.231 166 HD22 LEU 44 HD22 LEU 44 -2.034 0.800 6.587 167 HD23 LEU 44 HD23 LEU 44 -0.742 -0.120 7.357 168 H THR 45 HN THR 45 -1.488 0.095 1.191 169 HA THR 45 HA THR 45 -3.762 1.531 0.480 170 HB THR 45 HB THR 45 -3.057 1.089 -1.900 171 HG1 THR 45 HG1 THR 45 -1.123 -0.487 -0.536 172 HG21 THR 45 HG21 THR 45 -0.918 2.321 -1.687 173 HG22 THR 45 HG22 THR 45 -0.964 2.044 0.055 174 HG23 THR 45 HG23 THR 45 -2.212 3.022 -0.717 175 H THR 46 HN THR 46 -3.274 -1.888 0.625 176 HA THR 46 HA THR 46 -5.185 -2.745 -1.240 177 HB THR 46 HB THR 46 -4.376 -4.109 1.336 178 HG1 THR 46 HG1 THR 46 -3.369 -5.061 -1.032 179 HG21 THR 46 HG21 THR 46 -5.123 -6.164 0.232 180 HG22 THR 46 HG22 THR 46 -5.653 -5.227 -1.164 181 HG23 THR 46 HG23 THR 46 -6.453 -5.015 0.394 182 H LEU 47 HN LEU 47 -5.543 -2.501 2.306 183 HA LEU 47 HA LEU 47 -8.408 -2.757 2.099 184 HB2 LEU 47 HB2 LEU 47 -6.574 -2.270 4.443 185 HB3 LEU 47 HB1 LEU 47 -8.315 -2.400 4.592 186 HG LEU 47 HG LEU 47 -7.337 -4.499 5.214 187 HD11 LEU 47 HD11 LEU 47 -8.433 -6.016 3.676 188 HD12 LEU 47 HD12 LEU 47 -8.518 -4.748 2.453 189 HD13 LEU 47 HD13 LEU 47 -9.434 -4.590 3.951 190 HD21 LEU 47 HD21 LEU 47 -5.935 -5.805 3.722 191 HD22 LEU 47 HD22 LEU 47 -5.197 -4.237 4.048 192 HD23 LEU 47 HD23 LEU 47 -6.006 -4.528 2.509 193 H PHE 48 HN PHE 48 -6.107 -0.173 2.368 194 HA PHE 48 HA PHE 48 -7.906 1.803 3.346 195 HB2 PHE 48 HB2 PHE 48 -5.474 2.035 3.573 196 HB3 PHE 48 HB1 PHE 48 -5.310 2.139 1.824 197 HD1 PHE 48 HD1 PHE 48 -5.312 4.212 0.801 198 HD2 PHE 48 HD2 PHE 48 -6.992 3.814 4.691 199 HE1 PHE 48 HE1 PHE 48 -5.602 6.653 0.920 200 HE2 PHE 48 HE2 PHE 48 -7.286 6.254 4.818 201 HZ PHE 48 HZ PHE 48 -6.577 7.679 2.934 202 H CYS 49 HN CYS 49 -7.135 0.577 0.169 203 HA CYS 49 HA CYS 49 -8.440 2.746 -1.219 204 HB2 CYS 49 HB2 CYS 49 -7.244 0.127 -2.097 205 HB3 CYS 49 HB1 CYS 49 -8.165 1.132 -3.210 206 HG CYS 49 HG CYS 49 -5.903 2.133 -3.984 207 H LEU 50 HN LEU 50 -9.155 -0.667 -0.552 208 HA LEU 50 HA LEU 50 -11.585 -0.852 -1.893 209 HB2 LEU 50 HB2 LEU 50 -10.766 -2.224 0.674 210 HB3 LEU 50 HB1 LEU 50 -12.091 -2.722 -0.374 211 HG LEU 50 HG LEU 50 -9.237 -2.607 -1.333 212 HD11 LEU 50 HD11 LEU 50 -9.055 -4.969 -0.889 213 HD12 LEU 50 HD12 LEU 50 -10.689 -5.004 -0.224 214 HD13 LEU 50 HD13 LEU 50 -9.415 -4.116 0.613 215 HD21 LEU 50 HD21 LEU 50 -10.060 -4.135 -3.045 216 HD22 LEU 50 HD22 LEU 50 -10.975 -2.627 -3.052 217 HD23 LEU 50 HD23 LEU 50 -11.671 -4.079 -2.331 218 H LEU 51 HN LEU 51 -10.828 0.471 1.268 219 HA LEU 51 HA LEU 51 -13.591 0.795 2.020 220 HB2 LEU 51 HB2 LEU 51 -11.032 1.835 3.234 221 HB3 LEU 51 HB1 LEU 51 -12.621 2.108 3.922 222 HG LEU 51 HG LEU 51 -11.368 -0.609 3.514 223 HD11 LEU 51 HD11 LEU 51 -11.676 1.057 6.007 224 HD12 LEU 51 HD12 LEU 51 -10.163 0.640 5.204 225 HD13 LEU 51 HD13 LEU 51 -11.135 -0.621 5.960 226 HD21 LEU 51 HD21 LEU 51 -13.882 0.234 4.952 227 HD22 LEU 51 HD22 LEU 51 -13.212 -1.397 4.917 228 HD23 LEU 51 HD23 LEU 51 -13.803 -0.656 3.431 229 H HIS 52 HN HIS 52 -11.185 2.642 0.356 230 HA HIS 52 HA HIS 52 -12.426 5.197 0.722 231 HB2 HIS 52 HB2 HIS 52 -10.042 5.048 0.252 232 HB3 HIS 52 HB1 HIS 52 -10.368 4.259 -1.287 233 HD1 HIS 52 HD1 HIS 52 -10.453 5.762 -3.253 234 HD2 HIS 52 HD2 HIS 52 -11.139 7.810 0.298 235 HE1 HIS 52 HE1 HIS 52 -10.609 8.188 -3.894 236 HE2 HIS 52 HE2 HIS 52 -11.001 9.411 -1.727 237 H PHE 53 HN PHE 53 -12.069 3.125 -2.166 238 HA PHE 53 HA PHE 53 -13.941 4.578 -3.706 239 HB2 PHE 53 HB2 PHE 53 -12.866 1.770 -4.009 240 HB3 PHE 53 HB1 PHE 53 -13.898 2.556 -5.200 241 HD1 PHE 53 HD1 PHE 53 -10.565 2.391 -3.750 242 HD2 PHE 53 HD2 PHE 53 -13.071 4.431 -6.519 243 HE1 PHE 53 HE1 PHE 53 -8.580 3.408 -4.791 244 HE2 PHE 53 HE2 PHE 53 -11.092 5.452 -7.565 245 HZ PHE 53 HZ PHE 53 -8.844 4.941 -6.701 246 H GLY 54 HN GLY 54 -14.257 2.078 -1.346 247 HA2 GLY 54 HA2 GLY 54 -16.144 1.268 -0.303 248 HA3 GLY 54 HA1 GLY 54 -17.099 2.379 -1.272 249 H VAL 55 HN VAL 55 -14.947 0.146 -2.836 250 HA VAL 55 HA VAL 55 -16.901 -0.933 -4.495 251 HB VAL 55 HB VAL 55 -14.597 -1.097 -5.131 252 HG11 VAL 55 HG11 VAL 55 -14.228 -2.858 -2.718 253 HG12 VAL 55 HG12 VAL 55 -13.564 -1.243 -2.956 254 HG13 VAL 55 HG13 VAL 55 -13.016 -2.581 -3.966 255 HG21 VAL 55 HG21 VAL 55 -14.430 -3.471 -5.744 256 HG22 VAL 55 HG22 VAL 55 -16.048 -2.826 -6.022 257 HG23 VAL 55 HG23 VAL 55 -15.733 -3.842 -4.617 258 H ILE 56 HN ILE 56 -15.567 -2.188 -1.478 259 HA ILE 56 HA ILE 56 -17.985 -3.594 -0.883 260 HB ILE 56 HB ILE 56 -16.421 -5.757 -0.495 261 HG12 ILE 56 HG12 ILE 56 -15.282 -6.131 -2.755 262 HG13 ILE 56 HG11 ILE 56 -15.398 -4.391 -2.983 263 HG21 ILE 56 HG21 ILE 56 -17.957 -5.156 -3.015 264 HG22 ILE 56 HG22 ILE 56 -18.652 -5.704 -1.490 265 HG23 ILE 56 HG23 ILE 56 -17.561 -6.758 -2.391 266 HD11 ILE 56 HD11 ILE 56 -13.954 -5.770 -0.735 267 HD12 ILE 56 HD12 ILE 56 -14.044 -4.030 -1.002 268 HD13 ILE 56 HD13 ILE 56 -13.209 -5.057 -2.166 269 H GLY 57 HN GLY 57 -17.947 -2.358 0.977 270 HA2 GLY 57 HA2 GLY 57 -16.089 -3.327 3.025 271 HA3 GLY 57 HA1 GLY 57 -16.181 -1.595 2.749 272 HA PRO 58 HA PRO 58 -19.548 -1.168 5.551 273 HB2 PRO 58 HB2 PRO 58 -21.127 0.286 3.515 274 HB3 PRO 58 HB1 PRO 58 -20.556 0.830 5.095 275 HG2 PRO 58 HG2 PRO 58 -19.446 1.732 2.836 276 HG3 PRO 58 HG1 PRO 58 -18.472 1.425 4.284 277 HD2 PRO 58 HD2 PRO 58 -18.772 -0.239 1.814 278 HD3 PRO 58 HD1 PRO 58 -17.317 0.103 2.774 279 H GLN 59 HN GLN 59 -22.115 -1.222 5.552 280 HA GLN 59 HA GLN 59 -22.968 -3.494 3.882 281 HB2 GLN 59 HB2 GLN 59 -22.491 -4.028 6.333 282 HB3 GLN 59 HB1 GLN 59 -23.889 -3.034 6.719 283 HG2 GLN 59 HG2 GLN 59 -25.313 -4.511 5.400 284 HG3 GLN 59 HG1 GLN 59 -23.913 -5.500 4.991 285 HE21 GLN 59 HE21 GLN 59 -24.795 -7.335 5.926 286 HE22 GLN 59 HE22 GLN 59 -24.920 -7.531 7.638 287 H ARG 60 HN ARG 60 -23.310 -0.632 3.463 288 HA ARG 60 HA ARG 60 -26.223 -0.619 3.235 289 HB2 ARG 60 HB2 ARG 60 -25.651 0.630 5.301 290 HB3 ARG 60 HB1 ARG 60 -24.658 1.719 4.343 291 HG2 ARG 60 HG2 ARG 60 -26.793 2.735 4.819 292 HG3 ARG 60 HG1 ARG 60 -26.651 2.412 3.090 293 HD2 ARG 60 HD2 ARG 60 -28.874 1.831 3.998 294 HD3 ARG 60 HD1 ARG 60 -28.033 0.447 3.301 295 HE ARG 60 HE ARG 60 -27.479 0.547 6.047 296 HH11 ARG 60 HH11 ARG 60 -30.142 -0.066 3.883 297 HH12 ARG 60 HH12 ARG 60 -30.952 -1.138 4.976 298 HH21 ARG 60 HH21 ARG 60 -28.535 -0.862 7.492 299 HH22 ARG 60 HH22 ARG 60 -30.039 -1.587 7.032 Start of MODEL 12 1 H1 ARG 28 HT1 ARG 28 24.062 5.390 -3.383 2 H2 ARG 28 HT2 ARG 28 24.377 6.765 -4.317 3 H3 ARG 28 HT3 ARG 28 23.000 5.833 -4.623 4 HA ARG 28 HA ARG 28 23.524 7.356 -2.140 5 HB2 ARG 28 HB2 ARG 28 23.083 8.855 -4.002 6 HB3 ARG 28 HB1 ARG 28 21.670 7.915 -4.463 7 HG2 ARG 28 HG2 ARG 28 20.647 8.499 -2.272 8 HG3 ARG 28 HG1 ARG 28 22.021 9.564 -1.970 9 HD2 ARG 28 HD2 ARG 28 21.468 10.898 -3.900 10 HD3 ARG 28 HD1 ARG 28 20.182 9.778 -4.349 11 HE ARG 28 HE ARG 28 19.841 10.878 -1.726 12 HH11 ARG 28 HH11 ARG 28 19.335 11.446 -5.127 13 HH12 ARG 28 HH12 ARG 28 18.008 12.530 -4.879 14 HH21 ARG 28 HH21 ARG 28 18.094 12.300 -1.391 15 HH22 ARG 28 HH22 ARG 28 17.304 13.017 -2.754 16 H ARG 29 HN ARG 29 20.714 6.208 -4.006 17 HA ARG 29 HA ARG 29 19.434 5.366 -1.535 18 HB2 ARG 29 HB2 ARG 29 18.398 5.311 -4.375 19 HB3 ARG 29 HB1 ARG 29 17.449 5.012 -2.925 20 HG2 ARG 29 HG2 ARG 29 17.880 7.311 -2.184 21 HG3 ARG 29 HG1 ARG 29 18.787 7.604 -3.670 22 HD2 ARG 29 HD2 ARG 29 16.774 7.111 -4.983 23 HD3 ARG 29 HD1 ARG 29 15.874 6.840 -3.491 24 HE ARG 29 HE ARG 29 17.055 9.407 -3.463 25 HH11 ARG 29 HH11 ARG 29 14.460 7.611 -4.945 26 HH12 ARG 29 HH12 ARG 29 13.468 9.007 -5.198 27 HH21 ARG 29 HH21 ARG 29 15.751 11.247 -3.790 28 HH22 ARG 29 HH22 ARG 29 14.201 11.072 -4.544 29 H CYS 30 HN CYS 30 18.827 3.283 -1.035 30 HA CYS 30 HA CYS 30 20.306 1.193 -2.445 31 HB2 CYS 30 HB2 CYS 30 20.558 1.362 0.006 32 HB3 CYS 30 HB1 CYS 30 18.830 1.087 0.196 33 HG CYS 30 HG CYS 30 20.154 -1.254 0.908 34 H LEU 31 HN LEU 31 19.299 0.059 -3.956 35 HA LEU 31 HA LEU 31 16.498 0.143 -4.349 36 HB2 LEU 31 HB2 LEU 31 16.834 -1.294 -6.208 37 HB3 LEU 31 HB1 LEU 31 18.178 -0.178 -6.158 38 HG LEU 31 HG LEU 31 19.173 -2.189 -6.737 39 HD11 LEU 31 HD11 LEU 31 19.403 -2.148 -3.737 40 HD12 LEU 31 HD12 LEU 31 20.349 -1.171 -4.858 41 HD13 LEU 31 HD13 LEU 31 20.516 -2.927 -4.862 42 HD21 LEU 31 HD21 LEU 31 17.615 -3.655 -4.621 43 HD22 LEU 31 HD22 LEU 31 18.654 -4.348 -5.865 44 HD23 LEU 31 HD23 LEU 31 17.143 -3.558 -6.317 45 H PHE 32 HN PHE 32 18.439 -1.750 -2.313 46 HA PHE 32 HA PHE 32 16.603 -3.994 -2.208 47 HB2 PHE 32 HB2 PHE 32 19.021 -4.385 -1.976 48 HB3 PHE 32 HB1 PHE 32 19.048 -3.379 -0.533 49 HD1 PHE 32 HD1 PHE 32 17.470 -6.448 -1.919 50 HD2 PHE 32 HD2 PHE 32 18.750 -4.340 1.550 51 HE1 PHE 32 HE1 PHE 32 16.970 -8.424 -0.540 52 HE2 PHE 32 HE2 PHE 32 18.252 -6.312 2.935 53 HZ PHE 32 HZ PHE 32 17.358 -8.355 1.891 54 H LEU 33 HN LEU 33 17.368 -1.118 -0.359 55 HA LEU 33 HA LEU 33 15.671 -1.900 1.857 56 HB2 LEU 33 HB2 LEU 33 17.198 0.629 1.285 57 HB3 LEU 33 HB1 LEU 33 16.239 0.370 2.730 58 HG LEU 33 HG LEU 33 18.708 -1.161 1.910 59 HD11 LEU 33 HD11 LEU 33 19.165 1.044 2.806 60 HD12 LEU 33 HD12 LEU 33 19.638 -0.202 3.961 61 HD13 LEU 33 HD13 LEU 33 18.145 0.704 4.203 62 HD21 LEU 33 HD21 LEU 33 18.462 -2.320 4.071 63 HD22 LEU 33 HD22 LEU 33 17.145 -2.686 2.957 64 HD23 LEU 33 HD23 LEU 33 16.888 -1.552 4.283 65 H SER 34 HN SER 34 15.472 0.045 -1.018 66 HA SER 34 HA SER 34 13.204 1.582 -0.270 67 HB2 SER 34 HB2 SER 34 14.255 0.858 -3.014 68 HB3 SER 34 HB1 SER 34 13.025 2.079 -2.692 69 HG SER 34 HG SER 34 14.512 3.395 -1.907 70 H LEU 35 HN LEU 35 13.644 -1.595 -1.625 71 HA LEU 35 HA LEU 35 10.961 -1.948 -2.526 72 HB2 LEU 35 HB2 LEU 35 12.820 -3.246 -3.439 73 HB3 LEU 35 HB1 LEU 35 13.101 -3.973 -1.868 74 HG LEU 35 HG LEU 35 10.383 -4.337 -2.970 75 HD11 LEU 35 HD11 LEU 35 12.774 -5.730 -4.169 76 HD12 LEU 35 HD12 LEU 35 11.718 -4.582 -4.993 77 HD13 LEU 35 HD13 LEU 35 11.084 -6.140 -4.462 78 HD21 LEU 35 HD21 LEU 35 11.075 -5.348 -0.863 79 HD22 LEU 35 HD22 LEU 35 12.396 -6.179 -1.683 80 HD23 LEU 35 HD23 LEU 35 10.724 -6.589 -2.067 81 H PHE 36 HN PHE 36 12.543 -2.204 0.528 82 HA PHE 36 HA PHE 36 10.603 -3.938 1.745 83 HB2 PHE 36 HB2 PHE 36 12.963 -3.760 2.532 84 HB3 PHE 36 HB1 PHE 36 12.623 -2.121 3.077 85 HD1 PHE 36 HD1 PHE 36 11.947 -5.683 3.661 86 HD2 PHE 36 HD2 PHE 36 11.394 -1.711 5.083 87 HE1 PHE 36 HE1 PHE 36 11.170 -6.569 5.821 88 HE2 PHE 36 HE2 PHE 36 10.617 -2.590 7.247 89 HZ PHE 36 HZ PHE 36 10.510 -5.021 7.619 90 H SER 37 HN SER 37 10.992 -0.512 1.296 91 HA SER 37 HA SER 37 8.999 0.204 3.258 92 HB2 SER 37 HB2 SER 37 10.357 1.870 1.125 93 HB3 SER 37 HB1 SER 37 9.325 2.502 2.407 94 HG SER 37 HG SER 37 11.780 2.393 2.658 95 H PHE 38 HN PHE 38 9.095 -0.568 -0.112 96 HA PHE 38 HA PHE 38 6.610 0.684 -0.801 97 HB2 PHE 38 HB2 PHE 38 8.507 0.086 -2.400 98 HB3 PHE 38 HB1 PHE 38 7.936 -1.576 -2.285 99 HD1 PHE 38 HD1 PHE 38 6.815 1.854 -3.155 100 HD2 PHE 38 HD2 PHE 38 6.239 -2.330 -3.675 101 HE1 PHE 38 HE1 PHE 38 5.161 2.306 -4.919 102 HE2 PHE 38 HE2 PHE 38 4.584 -1.886 -5.441 103 HZ PHE 38 HZ PHE 38 4.042 0.435 -6.064 104 H LEU 39 HN LEU 39 7.560 -2.324 0.596 105 HA LEU 39 HA LEU 39 5.245 -3.826 -0.079 106 HB2 LEU 39 HB2 LEU 39 7.453 -4.758 0.671 107 HB3 LEU 39 HB1 LEU 39 7.072 -4.214 2.293 108 HG LEU 39 HG LEU 39 5.131 -5.999 0.914 109 HD11 LEU 39 HD11 LEU 39 7.271 -7.059 0.456 110 HD12 LEU 39 HD12 LEU 39 6.363 -7.977 1.659 111 HD13 LEU 39 HD13 LEU 39 7.704 -6.948 2.162 112 HD21 LEU 39 HD21 LEU 39 4.634 -5.065 3.128 113 HD22 LEU 39 HD22 LEU 39 6.105 -5.800 3.763 114 HD23 LEU 39 HD23 LEU 39 4.789 -6.820 3.183 115 H ILE 40 HN ILE 40 6.013 -1.509 2.380 116 HA ILE 40 HA ILE 40 3.759 -2.161 4.061 117 HB ILE 40 HB ILE 40 5.498 0.307 4.142 118 HG12 ILE 40 HG12 ILE 40 5.816 -2.254 5.724 119 HG13 ILE 40 HG11 ILE 40 6.790 -1.834 4.317 120 HG21 ILE 40 HG21 ILE 40 3.387 0.503 5.358 121 HG22 ILE 40 HG22 ILE 40 4.762 0.464 6.462 122 HG23 ILE 40 HG23 ILE 40 3.761 -0.972 6.250 123 HD11 ILE 40 HD11 ILE 40 7.982 -1.349 6.363 124 HD12 ILE 40 HD12 ILE 40 6.665 -0.312 6.910 125 HD13 ILE 40 HD13 ILE 40 7.618 0.144 5.498 126 H VAL 41 HN VAL 41 4.539 0.188 1.564 127 HA VAL 41 HA VAL 41 2.201 1.786 1.996 128 HB VAL 41 HB VAL 41 4.371 2.591 0.958 129 HG11 VAL 41 HG11 VAL 41 3.208 1.238 -1.464 130 HG12 VAL 41 HG12 VAL 41 4.690 0.788 -0.625 131 HG13 VAL 41 HG13 VAL 41 4.587 2.336 -1.463 132 HG21 VAL 41 HG21 VAL 41 1.790 3.149 -0.503 133 HG22 VAL 41 HG22 VAL 41 3.228 4.171 -0.525 134 HG23 VAL 41 HG23 VAL 41 2.335 3.936 0.978 135 H LEU 42 HN LEU 42 2.905 -1.082 0.227 136 HA LEU 42 HA LEU 42 0.683 -0.810 -1.599 137 HB2 LEU 42 HB2 LEU 42 2.770 -1.996 -2.217 138 HB3 LEU 42 HB1 LEU 42 2.410 -3.214 -0.999 139 HG LEU 42 HG LEU 42 0.348 -2.721 -3.086 140 HD11 LEU 42 HD11 LEU 42 1.479 -4.244 -4.638 141 HD12 LEU 42 HD12 LEU 42 2.905 -4.233 -3.600 142 HD13 LEU 42 HD13 LEU 42 2.388 -2.751 -4.403 143 HD21 LEU 42 HD21 LEU 42 0.074 -5.148 -2.859 144 HD22 LEU 42 HD22 LEU 42 -0.056 -4.327 -1.305 145 HD23 LEU 42 HD23 LEU 42 1.424 -5.189 -1.724 146 H LEU 43 HN LEU 43 1.480 -2.995 1.102 147 HA LEU 43 HA LEU 43 -0.962 -4.352 1.180 148 HB2 LEU 43 HB2 LEU 43 1.024 -5.142 2.345 149 HB3 LEU 43 HB1 LEU 43 0.975 -3.755 3.416 150 HG LEU 43 HG LEU 43 -1.224 -4.578 4.281 151 HD11 LEU 43 HD11 LEU 43 -0.534 -7.027 2.667 152 HD12 LEU 43 HD12 LEU 43 -1.886 -5.933 2.373 153 HD13 LEU 43 HD13 LEU 43 -1.840 -6.903 3.845 154 HD21 LEU 43 HD21 LEU 43 1.112 -6.465 4.548 155 HD22 LEU 43 HD22 LEU 43 -0.258 -6.354 5.653 156 HD23 LEU 43 HD23 LEU 43 0.853 -4.995 5.486 157 H LEU 44 HN LEU 44 -0.117 -1.182 2.276 158 HA LEU 44 HA LEU 44 -2.357 -0.931 4.068 159 HB2 LEU 44 HB2 LEU 44 -0.636 0.379 4.809 160 HB3 LEU 44 HB1 LEU 44 -0.086 0.766 3.191 161 HG LEU 44 HG LEU 44 -2.044 2.291 2.958 162 HD11 LEU 44 HD11 LEU 44 -3.500 1.295 4.634 163 HD12 LEU 44 HD12 LEU 44 -3.210 2.996 4.996 164 HD13 LEU 44 HD13 LEU 44 -2.365 1.744 5.907 165 HD21 LEU 44 HD21 LEU 44 -0.142 2.856 5.228 166 HD22 LEU 44 HD22 LEU 44 -1.088 4.063 4.358 167 HD23 LEU 44 HD23 LEU 44 0.160 3.146 3.515 168 H THR 45 HN THR 45 -1.456 0.324 0.866 169 HA THR 45 HA THR 45 -3.808 1.847 0.482 170 HB THR 45 HB THR 45 -3.183 1.626 -1.998 171 HG1 THR 45 HG1 THR 45 -0.717 1.001 -1.858 172 HG21 THR 45 HG21 THR 45 -1.281 3.166 -1.741 173 HG22 THR 45 HG22 THR 45 -1.186 2.747 -0.030 174 HG23 THR 45 HG23 THR 45 -2.611 3.574 -0.658 175 H THR 46 HN THR 46 -3.152 -1.528 0.179 176 HA THR 46 HA THR 46 -5.088 -2.270 -1.701 177 HB THR 46 HB THR 46 -4.172 -3.873 0.696 178 HG1 THR 46 HG1 THR 46 -2.433 -4.356 -0.457 179 HG21 THR 46 HG21 THR 46 -5.380 -4.751 -1.932 180 HG22 THR 46 HG22 THR 46 -6.189 -4.777 -0.365 181 HG23 THR 46 HG23 THR 46 -4.797 -5.820 -0.654 182 H LEU 47 HN LEU 47 -5.340 -2.362 1.864 183 HA LEU 47 HA LEU 47 -8.183 -2.786 1.739 184 HB2 LEU 47 HB2 LEU 47 -6.348 -2.223 4.068 185 HB3 LEU 47 HB1 LEU 47 -8.058 -2.571 4.224 186 HG LEU 47 HG LEU 47 -6.892 -4.570 4.739 187 HD11 LEU 47 HD11 LEU 47 -8.886 -4.878 3.373 188 HD12 LEU 47 HD12 LEU 47 -7.682 -6.124 3.041 189 HD13 LEU 47 HD13 LEU 47 -7.905 -4.791 1.910 190 HD21 LEU 47 HD21 LEU 47 -5.242 -5.597 3.306 191 HD22 LEU 47 HD22 LEU 47 -4.748 -3.950 3.697 192 HD23 LEU 47 HD23 LEU 47 -5.434 -4.312 2.114 193 H PHE 48 HN PHE 48 -6.070 -0.061 1.973 194 HA PHE 48 HA PHE 48 -7.909 1.758 3.151 195 HB2 PHE 48 HB2 PHE 48 -5.429 2.077 3.087 196 HB3 PHE 48 HB1 PHE 48 -5.559 2.402 1.361 197 HD1 PHE 48 HD1 PHE 48 -6.282 4.511 0.556 198 HD2 PHE 48 HD2 PHE 48 -6.446 3.633 4.717 199 HE1 PHE 48 HE1 PHE 48 -6.706 6.886 1.038 200 HE2 PHE 48 HE2 PHE 48 -6.872 6.005 5.205 201 HZ PHE 48 HZ PHE 48 -7.002 7.636 3.365 202 H CYS 49 HN CYS 49 -7.258 0.740 -0.138 203 HA CYS 49 HA CYS 49 -8.877 2.818 -1.310 204 HB2 CYS 49 HB2 CYS 49 -7.558 0.359 -2.462 205 HB3 CYS 49 HB1 CYS 49 -8.523 1.473 -3.423 206 HG CYS 49 HG CYS 49 -6.499 3.440 -1.977 207 H LEU 50 HN LEU 50 -9.208 -0.650 -0.670 208 HA LEU 50 HA LEU 50 -11.692 -1.020 -1.924 209 HB2 LEU 50 HB2 LEU 50 -10.533 -2.461 0.467 210 HB3 LEU 50 HB1 LEU 50 -11.896 -3.022 -0.496 211 HG LEU 50 HG LEU 50 -9.122 -2.600 -1.611 212 HD11 LEU 50 HD11 LEU 50 -10.433 -5.141 -0.658 213 HD12 LEU 50 HD12 LEU 50 -9.051 -4.335 0.085 214 HD13 LEU 50 HD13 LEU 50 -8.901 -5.038 -1.526 215 HD21 LEU 50 HD21 LEU 50 -9.933 -3.904 -3.483 216 HD22 LEU 50 HD22 LEU 50 -10.968 -2.498 -3.235 217 HD23 LEU 50 HD23 LEU 50 -11.504 -4.092 -2.703 218 H LEU 51 HN LEU 51 -10.829 0.206 1.239 219 HA LEU 51 HA LEU 51 -13.532 0.168 2.234 220 HB2 LEU 51 HB2 LEU 51 -10.977 1.377 3.274 221 HB3 LEU 51 HB1 LEU 51 -12.515 1.541 4.102 222 HG LEU 51 HG LEU 51 -11.174 -1.097 3.501 223 HD11 LEU 51 HD11 LEU 51 -11.297 0.490 6.062 224 HD12 LEU 51 HD12 LEU 51 -9.858 0.175 5.092 225 HD13 LEU 51 HD13 LEU 51 -10.682 -1.155 5.906 226 HD21 LEU 51 HD21 LEU 51 -12.822 -2.003 5.066 227 HD22 LEU 51 HD22 LEU 51 -13.600 -1.254 3.672 228 HD23 LEU 51 HD23 LEU 51 -13.557 -0.407 5.219 229 H HIS 52 HN HIS 52 -11.317 2.558 0.886 230 HA HIS 52 HA HIS 52 -12.867 4.847 1.385 231 HB2 HIS 52 HB2 HIS 52 -10.503 4.952 0.726 232 HB3 HIS 52 HB1 HIS 52 -10.916 4.337 -0.870 233 HD1 HIS 52 HD1 HIS 52 -12.229 5.964 -2.455 234 HD2 HIS 52 HD2 HIS 52 -10.918 7.665 1.103 235 HE1 HIS 52 HE1 HIS 52 -12.441 8.449 -2.780 236 HE2 HIS 52 HE2 HIS 52 -11.630 9.459 -0.619 237 H PHE 53 HN PHE 53 -12.538 3.005 -1.657 238 HA PHE 53 HA PHE 53 -14.715 4.370 -2.900 239 HB2 PHE 53 HB2 PHE 53 -12.760 3.300 -4.095 240 HB3 PHE 53 HB1 PHE 53 -13.500 1.740 -3.755 241 HD1 PHE 53 HD1 PHE 53 -15.470 1.016 -4.937 242 HD2 PHE 53 HD2 PHE 53 -13.770 4.848 -5.669 243 HE1 PHE 53 HE1 PHE 53 -16.828 1.225 -6.977 244 HE2 PHE 53 HE2 PHE 53 -15.129 5.065 -7.710 245 HZ PHE 53 HZ PHE 53 -16.659 3.252 -8.366 246 H GLY 54 HN GLY 54 -14.405 1.555 -0.917 247 HA2 GLY 54 HA2 GLY 54 -15.990 0.201 0.046 248 HA3 GLY 54 HA1 GLY 54 -17.197 1.354 -0.498 249 H VAL 55 HN VAL 55 -15.056 -0.210 -2.765 250 HA VAL 55 HA VAL 55 -17.085 -1.099 -4.434 251 HB VAL 55 HB VAL 55 -14.852 -0.897 -5.282 252 HG11 VAL 55 HG11 VAL 55 -13.057 -2.448 -4.640 253 HG12 VAL 55 HG12 VAL 55 -14.109 -3.123 -3.399 254 HG13 VAL 55 HG13 VAL 55 -13.593 -1.442 -3.295 255 HG21 VAL 55 HG21 VAL 55 -15.737 -3.778 -5.332 256 HG22 VAL 55 HG22 VAL 55 -14.587 -3.042 -6.449 257 HG23 VAL 55 HG23 VAL 55 -16.265 -2.501 -6.426 258 H ILE 56 HN ILE 56 -15.356 -2.865 -1.905 259 HA ILE 56 HA ILE 56 -17.605 -4.568 -1.436 260 HB ILE 56 HB ILE 56 -15.877 -6.628 -1.708 261 HG12 ILE 56 HG12 ILE 56 -14.990 -6.384 -4.094 262 HG13 ILE 56 HG11 ILE 56 -15.234 -4.654 -3.897 263 HG21 ILE 56 HG21 ILE 56 -17.711 -5.624 -3.875 264 HG22 ILE 56 HG22 ILE 56 -18.218 -6.514 -2.440 265 HG23 ILE 56 HG23 ILE 56 -17.175 -7.287 -3.634 266 HD11 ILE 56 HD11 ILE 56 -13.451 -6.385 -2.202 267 HD12 ILE 56 HD12 ILE 56 -13.691 -4.648 -2.015 268 HD13 ILE 56 HD13 ILE 56 -12.931 -5.281 -3.475 269 H GLY 57 HN GLY 57 -17.483 -3.873 0.670 270 HA2 GLY 57 HA2 GLY 57 -16.243 -5.308 2.582 271 HA3 GLY 57 HA1 GLY 57 -15.009 -4.132 2.157 272 HA PRO 58 HA PRO 58 -18.716 -1.621 4.039 273 HB2 PRO 58 HB2 PRO 58 -20.542 -3.060 5.441 274 HB3 PRO 58 HB1 PRO 58 -20.719 -2.709 3.717 275 HG2 PRO 58 HG2 PRO 58 -19.685 -5.191 5.047 276 HG3 PRO 58 HG1 PRO 58 -20.836 -5.041 3.704 277 HD2 PRO 58 HD2 PRO 58 -18.244 -5.626 3.286 278 HD3 PRO 58 HD1 PRO 58 -19.170 -4.613 2.160 279 H GLN 59 HN GLN 59 -19.824 -1.936 6.572 280 HA GLN 59 HA GLN 59 -17.785 -2.948 8.357 281 HB2 GLN 59 HB2 GLN 59 -17.643 -0.678 9.520 282 HB3 GLN 59 HB1 GLN 59 -16.766 -0.861 8.007 283 HG2 GLN 59 HG2 GLN 59 -17.805 1.260 7.961 284 HG3 GLN 59 HG1 GLN 59 -18.699 0.222 6.851 285 HE21 GLN 59 HE21 GLN 59 -20.791 -0.387 7.351 286 HE22 GLN 59 HE22 GLN 59 -21.708 0.378 8.599 287 H ARG 60 HN ARG 60 -20.616 -3.428 7.811 288 HA ARG 60 HA ARG 60 -21.817 -2.574 10.355 289 HB2 ARG 60 HB2 ARG 60 -23.062 -1.948 8.326 290 HB3 ARG 60 HB1 ARG 60 -23.155 -3.641 7.863 291 HG2 ARG 60 HG2 ARG 60 -24.487 -4.125 9.842 292 HG3 ARG 60 HG1 ARG 60 -24.373 -2.436 10.339 293 HD2 ARG 60 HD2 ARG 60 -25.531 -1.761 8.289 294 HD3 ARG 60 HD1 ARG 60 -25.650 -3.452 7.803 295 HE ARG 60 HE ARG 60 -26.801 -3.236 10.321 296 HH11 ARG 60 HH11 ARG 60 -27.366 -2.038 7.097 297 HH12 ARG 60 HH12 ARG 60 -29.082 -1.920 7.305 298 HH21 ARG 60 HH21 ARG 60 -29.055 -3.085 10.601 299 HH22 ARG 60 HH22 ARG 60 -30.042 -2.514 9.297 Start of MODEL 13 1 H1 ARG 28 HT1 ARG 28 24.380 0.953 -6.971 2 H2 ARG 28 HT2 ARG 28 26.039 0.662 -7.131 3 H3 ARG 28 HT3 ARG 28 25.487 1.843 -6.052 4 HA ARG 28 HA ARG 28 24.937 -1.058 -5.830 5 HB2 ARG 28 HB2 ARG 28 26.486 -0.996 -3.910 6 HB3 ARG 28 HB1 ARG 28 27.290 -0.603 -5.422 7 HG2 ARG 28 HG2 ARG 28 27.231 1.758 -4.868 8 HG3 ARG 28 HG1 ARG 28 26.360 1.401 -3.375 9 HD2 ARG 28 HD2 ARG 28 29.144 0.474 -4.082 10 HD3 ARG 28 HD1 ARG 28 28.733 1.756 -2.941 11 HE ARG 28 HE ARG 28 27.401 -0.485 -2.058 12 HH11 ARG 28 HH11 ARG 28 30.719 0.410 -2.650 13 HH12 ARG 28 HH12 ARG 28 31.354 -0.646 -1.433 14 HH21 ARG 28 HH21 ARG 28 28.232 -1.874 -0.453 15 HH22 ARG 28 HH22 ARG 28 29.942 -1.944 -0.186 16 H ARG 29 HN ARG 29 23.077 1.199 -5.757 17 HA ARG 29 HA ARG 29 22.465 1.886 -3.080 18 HB2 ARG 29 HB2 ARG 29 21.672 3.218 -4.962 19 HB3 ARG 29 HB1 ARG 29 20.710 1.866 -5.541 20 HG2 ARG 29 HG2 ARG 29 19.311 1.978 -3.564 21 HG3 ARG 29 HG1 ARG 29 20.302 3.288 -2.919 22 HD2 ARG 29 HD2 ARG 29 19.680 4.709 -4.786 23 HD3 ARG 29 HD1 ARG 29 18.749 3.394 -5.501 24 HE ARG 29 HE ARG 29 17.719 3.777 -2.970 25 HH11 ARG 29 HH11 ARG 29 18.107 5.664 -5.872 26 HH12 ARG 29 HH12 ARG 29 16.700 6.633 -5.587 27 HH21 ARG 29 HH21 ARG 29 15.863 5.047 -2.585 28 HH22 ARG 29 HH22 ARG 29 15.425 6.282 -3.717 29 H CYS 30 HN CYS 30 21.139 0.972 -1.595 30 HA CYS 30 HA CYS 30 20.665 -1.802 -1.703 31 HB2 CYS 30 HB2 CYS 30 19.484 0.284 0.143 32 HB3 CYS 30 HB1 CYS 30 19.408 -1.456 0.401 33 HG CYS 30 HG CYS 30 21.428 -1.235 1.998 34 H LEU 31 HN LEU 31 19.383 -2.483 -3.353 35 HA LEU 31 HA LEU 31 16.850 -1.196 -3.904 36 HB2 LEU 31 HB2 LEU 31 18.244 -2.047 -5.733 37 HB3 LEU 31 HB1 LEU 31 18.105 -3.671 -5.091 38 HG LEU 31 HG LEU 31 15.640 -3.556 -5.486 39 HD11 LEU 31 HD11 LEU 31 15.387 -1.134 -5.465 40 HD12 LEU 31 HD12 LEU 31 14.786 -1.817 -6.976 41 HD13 LEU 31 HD13 LEU 31 16.353 -1.010 -6.935 42 HD21 LEU 31 HD21 LEU 31 17.407 -3.141 -7.895 43 HD22 LEU 31 HD22 LEU 31 15.797 -3.863 -7.909 44 HD23 LEU 31 HD23 LEU 31 17.119 -4.671 -7.066 45 H PHE 32 HN PHE 32 17.921 -4.416 -2.822 46 HA PHE 32 HA PHE 32 15.363 -5.503 -2.438 47 HB2 PHE 32 HB2 PHE 32 17.981 -6.176 -1.085 48 HB3 PHE 32 HB1 PHE 32 16.520 -7.151 -0.964 49 HD1 PHE 32 HD1 PHE 32 15.734 -8.453 -2.843 50 HD2 PHE 32 HD2 PHE 32 19.273 -6.105 -3.123 51 HE1 PHE 32 HE1 PHE 32 16.364 -9.655 -4.895 52 HE2 PHE 32 HE2 PHE 32 19.910 -7.302 -5.176 53 HZ PHE 32 HZ PHE 32 18.454 -9.080 -6.065 54 H LEU 33 HN LEU 33 17.234 -3.323 -0.504 55 HA LEU 33 HA LEU 33 15.661 -3.771 1.890 56 HB2 LEU 33 HB2 LEU 33 17.841 -1.816 1.222 57 HB3 LEU 33 HB1 LEU 33 17.017 -1.828 2.762 58 HG LEU 33 HG LEU 33 17.778 -4.281 2.866 59 HD11 LEU 33 HD11 LEU 33 19.716 -3.210 0.836 60 HD12 LEU 33 HD12 LEU 33 18.535 -4.494 0.577 61 HD13 LEU 33 HD13 LEU 33 19.875 -4.742 1.696 62 HD21 LEU 33 HD21 LEU 33 19.734 -2.015 3.134 63 HD22 LEU 33 HD22 LEU 33 19.917 -3.610 3.863 64 HD23 LEU 33 HD23 LEU 33 18.589 -2.559 4.360 65 H SER 34 HN SER 34 16.078 -1.216 -0.531 66 HA SER 34 HA SER 34 14.216 0.580 0.611 67 HB2 SER 34 HB2 SER 34 15.885 1.341 -0.999 68 HB3 SER 34 HB1 SER 34 15.166 0.331 -2.253 69 HG SER 34 HG SER 34 13.690 1.795 -2.564 70 H LEU 35 HN LEU 35 13.870 -2.254 -1.312 71 HA LEU 35 HA LEU 35 11.302 -1.718 -2.401 72 HB2 LEU 35 HB2 LEU 35 12.834 -3.420 -3.304 73 HB3 LEU 35 HB1 LEU 35 12.638 -4.363 -1.840 74 HG LEU 35 HG LEU 35 10.234 -4.635 -2.362 75 HD11 LEU 35 HD11 LEU 35 9.913 -2.612 -3.682 76 HD12 LEU 35 HD12 LEU 35 9.417 -4.043 -4.586 77 HD13 LEU 35 HD13 LEU 35 10.956 -3.261 -4.947 78 HD21 LEU 35 HD21 LEU 35 12.101 -5.494 -4.564 79 HD22 LEU 35 HD22 LEU 35 10.538 -6.217 -4.184 80 HD23 LEU 35 HD23 LEU 35 11.866 -6.327 -3.029 81 H PHE 36 HN PHE 36 12.385 -2.534 0.720 82 HA PHE 36 HA PHE 36 10.102 -3.957 1.643 83 HB2 PHE 36 HB2 PHE 36 12.335 -4.027 2.742 84 HB3 PHE 36 HB1 PHE 36 12.099 -2.360 3.258 85 HD1 PHE 36 HD1 PHE 36 10.715 -5.782 3.567 86 HD2 PHE 36 HD2 PHE 36 10.923 -1.865 5.216 87 HE1 PHE 36 HE1 PHE 36 9.567 -6.577 5.591 88 HE2 PHE 36 HE2 PHE 36 9.775 -2.654 7.244 89 HZ PHE 36 HZ PHE 36 9.099 -5.014 7.435 90 H SER 37 HN SER 37 10.881 -0.573 1.317 91 HA SER 37 HA SER 37 8.862 0.408 3.076 92 HB2 SER 37 HB2 SER 37 10.143 1.868 0.756 93 HB3 SER 37 HB1 SER 37 9.359 2.585 2.164 94 HG SER 37 HG SER 37 11.645 2.567 2.352 95 H PHE 38 HN PHE 38 9.061 0.071 -0.460 96 HA PHE 38 HA PHE 38 6.511 1.100 -1.030 97 HB2 PHE 38 HB2 PHE 38 8.041 -0.979 -2.600 98 HB3 PHE 38 HB1 PHE 38 6.751 0.050 -3.211 99 HD1 PHE 38 HD1 PHE 38 7.138 2.549 -3.265 100 HD2 PHE 38 HD2 PHE 38 10.265 -0.268 -2.644 101 HE1 PHE 38 HE1 PHE 38 8.792 4.252 -3.911 102 HE2 PHE 38 HE2 PHE 38 11.926 1.429 -3.288 103 HZ PHE 38 HZ PHE 38 11.195 3.688 -3.923 104 H LEU 39 HN LEU 39 7.498 -1.900 0.302 105 HA LEU 39 HA LEU 39 5.200 -3.411 -0.494 106 HB2 LEU 39 HB2 LEU 39 7.473 -4.329 0.178 107 HB3 LEU 39 HB1 LEU 39 7.016 -3.997 1.838 108 HG LEU 39 HG LEU 39 5.188 -5.651 0.174 109 HD11 LEU 39 HD11 LEU 39 7.384 -6.595 -0.298 110 HD12 LEU 39 HD12 LEU 39 6.437 -7.674 0.727 111 HD13 LEU 39 HD13 LEU 39 7.721 -6.691 1.430 112 HD21 LEU 39 HD21 LEU 39 6.022 -5.724 3.071 113 HD22 LEU 39 HD22 LEU 39 4.799 -6.754 2.325 114 HD23 LEU 39 HD23 LEU 39 4.539 -5.013 2.435 115 H ILE 40 HN ILE 40 6.073 -1.380 2.209 116 HA ILE 40 HA ILE 40 3.811 -2.126 3.822 117 HB ILE 40 HB ILE 40 5.611 0.283 4.102 118 HG12 ILE 40 HG12 ILE 40 5.820 -2.386 5.511 119 HG13 ILE 40 HG11 ILE 40 6.807 -1.928 4.126 120 HG21 ILE 40 HG21 ILE 40 4.866 0.263 6.441 121 HG22 ILE 40 HG22 ILE 40 3.780 -1.078 6.076 122 HG23 ILE 40 HG23 ILE 40 3.521 0.496 5.325 123 HD11 ILE 40 HD11 ILE 40 6.743 -0.477 6.761 124 HD12 ILE 40 HD12 ILE 40 7.789 -0.119 5.388 125 HD13 ILE 40 HD13 ILE 40 7.972 -1.639 6.262 126 H VAL 41 HN VAL 41 4.629 0.452 1.576 127 HA VAL 41 HA VAL 41 2.334 2.052 2.136 128 HB VAL 41 HB VAL 41 4.529 2.822 1.068 129 HG11 VAL 41 HG11 VAL 41 3.157 1.790 -1.403 130 HG12 VAL 41 HG12 VAL 41 4.614 1.120 -0.675 131 HG13 VAL 41 HG13 VAL 41 4.637 2.746 -1.356 132 HG21 VAL 41 HG21 VAL 41 1.899 3.636 -0.168 133 HG22 VAL 41 HG22 VAL 41 3.393 4.573 -0.227 134 HG23 VAL 41 HG23 VAL 41 2.597 4.277 1.320 135 H LEU 42 HN LEU 42 2.974 -0.667 0.093 136 HA LEU 42 HA LEU 42 0.639 -0.263 -1.566 137 HB2 LEU 42 HB2 LEU 42 2.946 -1.486 -2.073 138 HB3 LEU 42 HB1 LEU 42 2.068 -2.877 -1.448 139 HG LEU 42 HG LEU 42 1.955 -2.809 -3.874 140 HD11 LEU 42 HD11 LEU 42 0.035 -3.702 -2.644 141 HD12 LEU 42 HD12 LEU 42 -0.446 -2.958 -4.169 142 HD13 LEU 42 HD13 LEU 42 -0.705 -2.101 -2.650 143 HD21 LEU 42 HD21 LEU 42 0.627 -0.125 -3.529 144 HD22 LEU 42 HD22 LEU 42 0.813 -1.002 -5.049 145 HD23 LEU 42 HD23 LEU 42 2.236 -0.410 -4.192 146 H LEU 43 HN LEU 43 1.661 -2.541 0.964 147 HA LEU 43 HA LEU 43 -0.602 -4.140 1.052 148 HB2 LEU 43 HB2 LEU 43 1.736 -3.984 2.463 149 HB3 LEU 43 HB1 LEU 43 0.563 -3.515 3.677 150 HG LEU 43 HG LEU 43 1.009 -5.895 3.812 151 HD11 LEU 43 HD11 LEU 43 -1.270 -6.750 3.641 152 HD12 LEU 43 HD12 LEU 43 -1.728 -5.348 2.673 153 HD13 LEU 43 HD13 LEU 43 -1.243 -5.137 4.355 154 HD21 LEU 43 HD21 LEU 43 0.028 -6.039 0.964 155 HD22 LEU 43 HD22 LEU 43 0.464 -7.409 1.985 156 HD23 LEU 43 HD23 LEU 43 1.698 -6.251 1.490 157 H LEU 44 HN LEU 44 -0.114 -0.909 2.255 158 HA LEU 44 HA LEU 44 -2.503 -0.927 3.880 159 HB2 LEU 44 HB2 LEU 44 -0.542 1.222 3.117 160 HB3 LEU 44 HB1 LEU 44 -2.003 1.573 4.017 161 HG LEU 44 HG LEU 44 0.215 -0.262 4.931 162 HD11 LEU 44 HD11 LEU 44 0.625 1.498 6.600 163 HD12 LEU 44 HD12 LEU 44 -0.574 2.513 5.800 164 HD13 LEU 44 HD13 LEU 44 0.903 2.058 4.951 165 HD21 LEU 44 HD21 LEU 44 -2.298 0.657 6.323 166 HD22 LEU 44 HD22 LEU 44 -0.989 -0.255 7.073 167 HD23 LEU 44 HD23 LEU 44 -1.944 -0.984 5.781 168 H THR 45 HN THR 45 -1.471 0.626 0.850 169 HA THR 45 HA THR 45 -3.805 2.034 0.305 170 HB THR 45 HB THR 45 -3.118 1.767 -2.141 171 HG1 THR 45 HG1 THR 45 -0.613 0.922 -1.378 172 HG21 THR 45 HG21 THR 45 -1.169 3.237 -1.870 173 HG22 THR 45 HG22 THR 45 -1.100 2.824 -0.158 174 HG23 THR 45 HG23 THR 45 -2.489 3.703 -0.796 175 H THR 46 HN THR 46 -3.102 -1.366 -0.113 176 HA THR 46 HA THR 46 -5.104 -2.042 -1.942 177 HB THR 46 HB THR 46 -4.073 -3.745 0.335 178 HG1 THR 46 HG1 THR 46 -2.956 -2.905 -2.039 179 HG21 THR 46 HG21 THR 46 -4.733 -5.636 -1.066 180 HG22 THR 46 HG22 THR 46 -5.366 -4.526 -2.282 181 HG23 THR 46 HG23 THR 46 -6.127 -4.621 -0.694 182 H LEU 47 HN LEU 47 -5.235 -2.383 1.615 183 HA LEU 47 HA LEU 47 -8.035 -2.893 1.615 184 HB2 LEU 47 HB2 LEU 47 -5.892 -2.553 3.641 185 HB3 LEU 47 HB1 LEU 47 -7.544 -2.341 4.169 186 HG LEU 47 HG LEU 47 -8.089 -4.611 3.380 187 HD11 LEU 47 HD11 LEU 47 -6.455 -4.782 1.585 188 HD12 LEU 47 HD12 LEU 47 -6.290 -6.126 2.716 189 HD13 LEU 47 HD13 LEU 47 -5.143 -4.786 2.765 190 HD21 LEU 47 HD21 LEU 47 -6.854 -5.829 5.099 191 HD22 LEU 47 HD22 LEU 47 -7.406 -4.264 5.696 192 HD23 LEU 47 HD23 LEU 47 -5.718 -4.487 5.239 193 H PHE 48 HN PHE 48 -6.030 -0.093 2.443 194 HA PHE 48 HA PHE 48 -7.981 1.579 3.480 195 HB2 PHE 48 HB2 PHE 48 -5.602 2.105 3.586 196 HB3 PHE 48 HB1 PHE 48 -5.551 2.326 1.842 197 HD1 PHE 48 HD1 PHE 48 -5.825 4.439 0.957 198 HD2 PHE 48 HD2 PHE 48 -7.254 3.634 4.884 199 HE1 PHE 48 HE1 PHE 48 -6.369 6.822 1.244 200 HE2 PHE 48 HE2 PHE 48 -7.801 6.015 5.178 201 HZ PHE 48 HZ PHE 48 -7.358 7.613 3.356 202 H CYS 49 HN CYS 49 -7.072 1.068 0.088 203 HA CYS 49 HA CYS 49 -8.791 3.086 -0.939 204 HB2 CYS 49 HB2 CYS 49 -7.430 0.718 -2.212 205 HB3 CYS 49 HB1 CYS 49 -8.463 1.812 -3.126 206 HG CYS 49 HG CYS 49 -6.874 4.069 -2.629 207 H LEU 50 HN LEU 50 -9.186 -0.335 -0.258 208 HA LEU 50 HA LEU 50 -11.611 -0.741 -1.639 209 HB2 LEU 50 HB2 LEU 50 -10.406 -2.119 0.759 210 HB3 LEU 50 HB1 LEU 50 -11.878 -2.670 -0.033 211 HG LEU 50 HG LEU 50 -9.271 -2.380 -1.515 212 HD11 LEU 50 HD11 LEU 50 -8.914 -4.755 -1.203 213 HD12 LEU 50 HD12 LEU 50 -10.359 -4.864 -0.197 214 HD13 LEU 50 HD13 LEU 50 -8.964 -3.939 0.360 215 HD21 LEU 50 HD21 LEU 50 -11.771 -3.968 -2.075 216 HD22 LEU 50 HD22 LEU 50 -10.330 -3.904 -3.089 217 HD23 LEU 50 HD23 LEU 50 -11.313 -2.458 -2.861 218 H LEU 51 HN LEU 51 -10.958 0.159 1.729 219 HA LEU 51 HA LEU 51 -13.567 0.141 2.682 220 HB2 LEU 51 HB2 LEU 51 -11.339 2.029 3.448 221 HB3 LEU 51 HB1 LEU 51 -12.776 1.703 4.399 222 HG LEU 51 HG LEU 51 -10.716 -0.389 3.693 223 HD11 LEU 51 HD11 LEU 51 -11.058 1.164 6.257 224 HD12 LEU 51 HD12 LEU 51 -9.736 1.353 5.106 225 HD13 LEU 51 HD13 LEU 51 -9.928 -0.162 5.987 226 HD21 LEU 51 HD21 LEU 51 -11.815 -1.698 5.425 227 HD22 LEU 51 HD22 LEU 51 -12.963 -1.251 4.163 228 HD23 LEU 51 HD23 LEU 51 -12.967 -0.392 5.702 229 H HIS 52 HN HIS 52 -11.783 2.720 1.036 230 HA HIS 52 HA HIS 52 -14.027 4.530 1.150 231 HB2 HIS 52 HB2 HIS 52 -11.343 4.703 -0.226 232 HB3 HIS 52 HB1 HIS 52 -12.557 5.976 -0.299 233 HD1 HIS 52 HD1 HIS 52 -13.251 6.978 2.141 234 HD2 HIS 52 HD2 HIS 52 -9.672 4.878 1.910 235 HE1 HIS 52 HE1 HIS 52 -11.949 7.640 4.189 236 HE2 HIS 52 HE2 HIS 52 -9.821 6.295 4.068 237 H PHE 53 HN PHE 53 -12.885 2.082 -0.977 238 HA PHE 53 HA PHE 53 -14.149 3.094 -3.350 239 HB2 PHE 53 HB2 PHE 53 -12.229 1.638 -3.581 240 HB3 PHE 53 HB1 PHE 53 -13.035 0.363 -2.674 241 HD1 PHE 53 HD1 PHE 53 -14.416 -1.192 -3.747 242 HD2 PHE 53 HD2 PHE 53 -13.159 2.301 -5.826 243 HE1 PHE 53 HE1 PHE 53 -15.307 -2.123 -5.842 244 HE2 PHE 53 HE2 PHE 53 -14.049 1.377 -7.925 245 HZ PHE 53 HZ PHE 53 -15.126 -0.838 -7.935 246 H GLY 54 HN GLY 54 -15.088 1.121 -0.657 247 HA2 GLY 54 HA2 GLY 54 -17.248 0.563 -0.005 248 HA3 GLY 54 HA1 GLY 54 -17.844 1.218 -1.521 249 H VAL 55 HN VAL 55 -15.296 -1.152 -1.461 250 HA VAL 55 HA VAL 55 -16.381 -2.877 -3.289 251 HB VAL 55 HB VAL 55 -14.096 -3.114 -2.699 252 HG11 VAL 55 HG11 VAL 55 -13.516 -4.128 -0.417 253 HG12 VAL 55 HG12 VAL 55 -15.110 -3.555 0.068 254 HG13 VAL 55 HG13 VAL 55 -13.902 -2.411 -0.506 255 HG21 VAL 55 HG21 VAL 55 -15.536 -5.581 -1.741 256 HG22 VAL 55 HG22 VAL 55 -13.873 -5.505 -2.324 257 HG23 VAL 55 HG23 VAL 55 -15.210 -5.175 -3.426 258 H ILE 56 HN ILE 56 -16.903 -2.820 0.178 259 HA ILE 56 HA ILE 56 -19.162 -4.649 -0.182 260 HB ILE 56 HB ILE 56 -18.307 -5.356 2.323 261 HG12 ILE 56 HG12 ILE 56 -15.929 -6.096 1.960 262 HG13 ILE 56 HG11 ILE 56 -15.894 -5.077 0.526 263 HG21 ILE 56 HG21 ILE 56 -19.241 -6.849 0.662 264 HG22 ILE 56 HG22 ILE 56 -17.732 -7.510 1.292 265 HG23 ILE 56 HG23 ILE 56 -17.764 -6.744 -0.296 266 HD11 ILE 56 HD11 ILE 56 -16.143 -4.240 3.394 267 HD12 ILE 56 HD12 ILE 56 -16.496 -3.153 2.053 268 HD13 ILE 56 HD13 ILE 56 -14.879 -3.832 2.232 269 H GLY 57 HN GLY 57 -18.280 -1.705 0.673 270 HA2 GLY 57 HA2 GLY 57 -20.637 -1.302 2.295 271 HA3 GLY 57 HA1 GLY 57 -19.130 -1.020 3.153 272 HA PRO 58 HA PRO 58 -19.225 2.341 -0.296 273 HB2 PRO 58 HB2 PRO 58 -21.466 2.568 -1.802 274 HB3 PRO 58 HB1 PRO 58 -20.105 1.537 -2.257 275 HG2 PRO 58 HG2 PRO 58 -22.696 0.794 -0.961 276 HG3 PRO 58 HG1 PRO 58 -21.807 -0.043 -2.247 277 HD2 PRO 58 HD2 PRO 58 -21.733 -0.828 0.354 278 HD3 PRO 58 HD1 PRO 58 -20.376 -1.066 -0.765 279 H GLN 59 HN GLN 59 -22.694 1.925 0.328 280 HA GLN 59 HA GLN 59 -24.242 3.260 1.327 281 HB2 GLN 59 HB2 GLN 59 -21.901 3.885 3.135 282 HB3 GLN 59 HB1 GLN 59 -23.582 4.253 3.496 283 HG2 GLN 59 HG2 GLN 59 -22.423 1.503 3.102 284 HG3 GLN 59 HG1 GLN 59 -22.837 2.244 4.647 285 HE21 GLN 59 HE21 GLN 59 -25.240 3.508 3.571 286 HE22 GLN 59 HE22 GLN 59 -26.408 2.247 3.400 287 H ARG 60 HN ARG 60 -24.469 4.659 -0.464 288 HA ARG 60 HA ARG 60 -22.965 7.169 -0.375 289 HB2 ARG 60 HB2 ARG 60 -24.895 6.164 -2.474 290 HB3 ARG 60 HB1 ARG 60 -23.874 7.591 -2.598 291 HG2 ARG 60 HG2 ARG 60 -21.883 6.161 -2.496 292 HG3 ARG 60 HG1 ARG 60 -22.926 4.738 -2.420 293 HD2 ARG 60 HD2 ARG 60 -23.894 5.379 -4.601 294 HD3 ARG 60 HD1 ARG 60 -22.767 6.733 -4.678 295 HE ARG 60 HE ARG 60 -21.600 4.089 -4.365 296 HH11 ARG 60 HH11 ARG 60 -22.450 6.708 -6.502 297 HH12 ARG 60 HH12 ARG 60 -21.378 6.198 -7.762 298 HH21 ARG 60 HH21 ARG 60 -20.186 3.411 -6.018 299 HH22 ARG 60 HH22 ARG 60 -20.089 4.324 -7.487 Start of MODEL 14 1 H1 ARG 28 HT1 ARG 28 22.668 4.043 4.071 2 H2 ARG 28 HT2 ARG 28 24.354 3.999 3.944 3 H3 ARG 28 HT3 ARG 28 23.489 2.571 4.214 4 HA ARG 28 HA ARG 28 23.370 4.249 1.778 5 HB2 ARG 28 HB2 ARG 28 25.461 2.920 2.077 6 HB3 ARG 28 HB1 ARG 28 24.482 1.463 2.169 7 HG2 ARG 28 HG2 ARG 28 25.262 1.515 -0.028 8 HG3 ARG 28 HG1 ARG 28 23.603 2.107 -0.135 9 HD2 ARG 28 HD2 ARG 28 26.011 3.906 0.059 10 HD3 ARG 28 HD1 ARG 28 25.296 3.398 -1.470 11 HE ARG 28 HE ARG 28 23.279 4.506 0.121 12 HH11 ARG 28 HH11 ARG 28 26.171 5.483 -1.560 13 HH12 ARG 28 HH12 ARG 28 25.622 7.104 -1.827 14 HH21 ARG 28 HH21 ARG 28 22.548 6.637 -0.230 15 HH22 ARG 28 HH22 ARG 28 23.563 7.760 -1.071 16 H ARG 29 HN ARG 29 21.745 3.833 0.386 17 HA ARG 29 HA ARG 29 19.850 1.704 1.137 18 HB2 ARG 29 HB2 ARG 29 18.124 3.130 -0.008 19 HB3 ARG 29 HB1 ARG 29 18.797 3.821 1.461 20 HG2 ARG 29 HG2 ARG 29 20.306 5.202 0.077 21 HG3 ARG 29 HG1 ARG 29 19.519 4.559 -1.366 22 HD2 ARG 29 HD2 ARG 29 18.127 6.066 0.842 23 HD3 ARG 29 HD1 ARG 29 18.643 6.768 -0.692 24 HE ARG 29 HE ARG 29 17.055 4.601 -1.329 25 HH11 ARG 29 HH11 ARG 29 16.694 7.605 0.399 26 HH12 ARG 29 HH12 ARG 29 15.014 7.773 0.016 27 HH21 ARG 29 HH21 ARG 29 14.842 4.814 -1.839 28 HH22 ARG 29 HH22 ARG 29 13.960 6.186 -1.255 29 H CYS 30 HN CYS 30 19.533 0.121 -0.282 30 HA CYS 30 HA CYS 30 20.606 0.451 -2.991 31 HB2 CYS 30 HB2 CYS 30 19.862 -2.062 -1.482 32 HB3 CYS 30 HB1 CYS 30 20.542 -2.017 -3.105 33 HG CYS 30 HG CYS 30 22.242 -0.619 -0.506 34 H LEU 31 HN LEU 31 19.332 -1.224 -4.542 35 HA LEU 31 HA LEU 31 16.861 0.015 -5.074 36 HB2 LEU 31 HB2 LEU 31 18.211 -1.041 -6.814 37 HB3 LEU 31 HB1 LEU 31 17.956 -2.613 -6.079 38 HG LEU 31 HG LEU 31 15.511 -2.365 -6.542 39 HD11 LEU 31 HD11 LEU 31 15.422 0.067 -6.680 40 HD12 LEU 31 HD12 LEU 31 14.800 -0.676 -8.153 41 HD13 LEU 31 HD13 LEU 31 16.417 0.027 -8.137 42 HD21 LEU 31 HD21 LEU 31 16.949 -3.672 -8.010 43 HD22 LEU 31 HD22 LEU 31 17.350 -2.221 -8.927 44 HD23 LEU 31 HD23 LEU 31 15.699 -2.840 -8.935 45 H PHE 32 HN PHE 32 17.524 -3.318 -3.986 46 HA PHE 32 HA PHE 32 14.808 -3.931 -3.464 47 HB2 PHE 32 HB2 PHE 32 17.373 -5.213 -2.509 48 HB3 PHE 32 HB1 PHE 32 15.774 -5.876 -2.189 49 HD1 PHE 32 HD1 PHE 32 14.585 -7.077 -3.849 50 HD2 PHE 32 HD2 PHE 32 18.209 -5.076 -4.832 51 HE1 PHE 32 HE1 PHE 32 14.641 -8.250 -6.011 52 HE2 PHE 32 HE2 PHE 32 18.272 -6.245 -6.996 53 HZ PHE 32 HZ PHE 32 16.478 -7.842 -7.584 54 H LEU 33 HN LEU 33 17.380 -2.538 -1.544 55 HA LEU 33 HA LEU 33 16.296 -2.858 1.008 56 HB2 LEU 33 HB2 LEU 33 18.469 -1.479 -0.186 57 HB3 LEU 33 HB1 LEU 33 17.615 -0.330 0.824 58 HG LEU 33 HG LEU 33 17.779 -2.066 2.680 59 HD11 LEU 33 HD11 LEU 33 19.823 -3.216 0.791 60 HD12 LEU 33 HD12 LEU 33 18.318 -3.987 1.291 61 HD13 LEU 33 HD13 LEU 33 19.592 -3.691 2.474 62 HD21 LEU 33 HD21 LEU 33 20.053 -1.393 3.261 63 HD22 LEU 33 HD22 LEU 33 19.125 -0.033 2.627 64 HD23 LEU 33 HD23 LEU 33 20.316 -0.841 1.606 65 H SER 34 HN SER 34 15.886 -0.235 -1.344 66 HA SER 34 HA SER 34 14.075 1.228 0.338 67 HB2 SER 34 HB2 SER 34 15.493 2.403 -1.275 68 HB3 SER 34 HB1 SER 34 14.723 1.536 -2.604 69 HG SER 34 HG SER 34 13.818 3.608 -2.317 70 H LEU 35 HN LEU 35 13.826 -1.334 -1.918 71 HA LEU 35 HA LEU 35 11.158 -0.946 -2.784 72 HB2 LEU 35 HB2 LEU 35 12.839 -2.411 -3.890 73 HB3 LEU 35 HB1 LEU 35 12.688 -3.534 -2.553 74 HG LEU 35 HG LEU 35 10.329 -3.911 -3.125 75 HD11 LEU 35 HD11 LEU 35 9.436 -3.038 -5.240 76 HD12 LEU 35 HD12 LEU 35 10.890 -2.059 -5.438 77 HD13 LEU 35 HD13 LEU 35 9.796 -1.751 -4.089 78 HD21 LEU 35 HD21 LEU 35 10.706 -5.133 -5.209 79 HD22 LEU 35 HD22 LEU 35 12.041 -5.360 -4.079 80 HD23 LEU 35 HD23 LEU 35 12.219 -4.260 -5.448 81 H PHE 36 HN PHE 36 12.471 -1.947 0.188 82 HA PHE 36 HA PHE 36 10.359 -3.656 1.044 83 HB2 PHE 36 HB2 PHE 36 12.629 -3.699 2.038 84 HB3 PHE 36 HB1 PHE 36 12.340 -2.101 2.720 85 HD1 PHE 36 HD1 PHE 36 11.109 -5.597 2.759 86 HD2 PHE 36 HD2 PHE 36 11.285 -1.859 4.786 87 HE1 PHE 36 HE1 PHE 36 10.106 -6.636 4.751 88 HE2 PHE 36 HE2 PHE 36 10.283 -2.891 6.782 89 HZ PHE 36 HZ PHE 36 9.692 -5.282 6.767 90 H SER 37 HN SER 37 10.805 -0.227 0.938 91 HA SER 37 HA SER 37 8.872 0.431 2.935 92 HB2 SER 37 HB2 SER 37 10.004 2.109 0.684 93 HB3 SER 37 HB1 SER 37 9.047 2.725 2.029 94 HG SER 37 HG SER 37 11.691 1.954 1.945 95 H PHE 38 HN PHE 38 8.789 -0.050 -0.547 96 HA PHE 38 HA PHE 38 6.167 0.957 -0.954 97 HB2 PHE 38 HB2 PHE 38 7.742 -1.041 -2.582 98 HB3 PHE 38 HB1 PHE 38 6.273 -0.231 -3.114 99 HD1 PHE 38 HD1 PHE 38 6.316 1.994 -3.936 100 HD2 PHE 38 HD2 PHE 38 9.816 0.258 -2.251 101 HE1 PHE 38 HE1 PHE 38 7.660 3.860 -4.814 102 HE2 PHE 38 HE2 PHE 38 11.166 2.119 -3.125 103 HZ PHE 38 HZ PHE 38 10.075 3.931 -4.412 104 H LEU 39 HN LEU 39 7.436 -2.080 0.139 105 HA LEU 39 HA LEU 39 5.144 -3.660 -0.398 106 HB2 LEU 39 HB2 LEU 39 7.488 -4.476 0.111 107 HB3 LEU 39 HB1 LEU 39 7.155 -4.129 1.797 108 HG LEU 39 HG LEU 39 5.262 -5.879 0.319 109 HD11 LEU 39 HD11 LEU 39 6.637 -7.845 0.803 110 HD12 LEU 39 HD12 LEU 39 7.938 -6.795 1.366 111 HD13 LEU 39 HD13 LEU 39 7.441 -6.756 -0.327 112 HD21 LEU 39 HD21 LEU 39 4.778 -5.228 2.613 113 HD22 LEU 39 HD22 LEU 39 6.338 -5.863 3.136 114 HD23 LEU 39 HD23 LEU 39 5.104 -6.958 2.514 115 H ILE 40 HN ILE 40 6.186 -1.722 2.350 116 HA ILE 40 HA ILE 40 4.085 -2.521 4.095 117 HB ILE 40 HB ILE 40 5.693 0.035 4.167 118 HG12 ILE 40 HG12 ILE 40 6.226 -2.553 5.636 119 HG13 ILE 40 HG11 ILE 40 7.051 -2.087 4.152 120 HG21 ILE 40 HG21 ILE 40 4.131 -1.397 6.313 121 HG22 ILE 40 HG22 ILE 40 3.699 0.132 5.548 122 HG23 ILE 40 HG23 ILE 40 5.140 0.028 6.560 123 HD11 ILE 40 HD11 ILE 40 7.118 -0.557 6.742 124 HD12 ILE 40 HD12 ILE 40 7.977 -0.137 5.260 125 HD13 ILE 40 HD13 ILE 40 8.391 -1.614 6.131 126 H VAL 41 HN VAL 41 4.544 0.195 1.871 127 HA VAL 41 HA VAL 41 2.122 1.515 2.550 128 HB VAL 41 HB VAL 41 4.188 2.487 1.348 129 HG11 VAL 41 HG11 VAL 41 2.688 1.365 -1.006 130 HG12 VAL 41 HG12 VAL 41 4.309 0.922 -0.477 131 HG13 VAL 41 HG13 VAL 41 3.999 2.540 -1.103 132 HG21 VAL 41 HG21 VAL 41 2.798 4.183 0.223 133 HG22 VAL 41 HG22 VAL 41 2.204 3.787 1.838 134 HG23 VAL 41 HG23 VAL 41 1.394 3.132 0.414 135 H LEU 42 HN LEU 42 2.883 -1.172 0.557 136 HA LEU 42 HA LEU 42 0.551 -0.986 -1.119 137 HB2 LEU 42 HB2 LEU 42 2.748 -2.084 -1.743 138 HB3 LEU 42 HB1 LEU 42 2.301 -3.399 -0.665 139 HG LEU 42 HG LEU 42 0.470 -2.598 -2.904 140 HD11 LEU 42 HD11 LEU 42 1.571 -4.248 -4.337 141 HD12 LEU 42 HD12 LEU 42 2.832 -4.460 -3.121 142 HD13 LEU 42 HD13 LEU 42 2.648 -2.909 -3.940 143 HD21 LEU 42 HD21 LEU 42 0.999 -5.172 -1.422 144 HD22 LEU 42 HD22 LEU 42 -0.114 -5.002 -2.779 145 HD23 LEU 42 HD23 LEU 42 -0.421 -4.136 -1.273 146 H LEU 43 HN LEU 43 1.572 -3.098 1.561 147 HA LEU 43 HA LEU 43 -0.659 -4.707 1.752 148 HB2 LEU 43 HB2 LEU 43 1.084 -3.629 3.965 149 HB3 LEU 43 HB1 LEU 43 -0.083 -4.920 4.174 150 HG LEU 43 HG LEU 43 2.289 -5.049 2.311 151 HD11 LEU 43 HD11 LEU 43 3.253 -6.575 3.961 152 HD12 LEU 43 HD12 LEU 43 1.892 -6.267 5.041 153 HD13 LEU 43 HD13 LEU 43 3.009 -4.964 4.635 154 HD21 LEU 43 HD21 LEU 43 0.319 -7.150 3.207 155 HD22 LEU 43 HD22 LEU 43 1.751 -7.443 2.222 156 HD23 LEU 43 HD23 LEU 43 0.437 -6.449 1.593 157 H LEU 44 HN LEU 44 -0.237 -1.415 2.924 158 HA LEU 44 HA LEU 44 -2.732 -1.437 4.376 159 HB2 LEU 44 HB2 LEU 44 -0.870 0.833 3.683 160 HB3 LEU 44 HB1 LEU 44 -2.273 0.972 4.723 161 HG LEU 44 HG LEU 44 0.183 -0.697 5.277 162 HD11 LEU 44 HD11 LEU 44 0.536 0.910 7.102 163 HD12 LEU 44 HD12 LEU 44 -0.837 1.851 6.521 164 HD13 LEU 44 HD13 LEU 44 0.600 1.677 5.516 165 HD21 LEU 44 HD21 LEU 44 -2.284 -0.236 6.953 166 HD22 LEU 44 HD22 LEU 44 -0.829 -1.086 7.472 167 HD23 LEU 44 HD23 LEU 44 -1.823 -1.750 6.176 168 H THR 45 HN THR 45 -1.524 0.088 1.393 169 HA THR 45 HA THR 45 -3.818 1.517 0.731 170 HB THR 45 HB THR 45 -3.034 1.239 -1.679 171 HG1 THR 45 HG1 THR 45 -0.624 0.485 -1.411 172 HG21 THR 45 HG21 THR 45 -2.429 3.185 -0.379 173 HG22 THR 45 HG22 THR 45 -1.028 2.652 -1.309 174 HG23 THR 45 HG23 THR 45 -1.132 2.294 0.415 175 H THR 46 HN THR 46 -3.240 -1.887 0.592 176 HA THR 46 HA THR 46 -5.045 -2.647 -1.403 177 HB THR 46 HB THR 46 -4.412 -4.174 1.131 178 HG1 THR 46 HG1 THR 46 -3.085 -5.142 -0.919 179 HG21 THR 46 HG21 THR 46 -6.378 -5.018 -0.107 180 HG22 THR 46 HG22 THR 46 -5.025 -6.150 -0.149 181 HG23 THR 46 HG23 THR 46 -5.383 -5.152 -1.558 182 H LEU 47 HN LEU 47 -5.609 -2.625 2.127 183 HA LEU 47 HA LEU 47 -8.449 -2.910 1.761 184 HB2 LEU 47 HB2 LEU 47 -6.696 -2.531 4.173 185 HB3 LEU 47 HB1 LEU 47 -8.443 -2.526 4.294 186 HG LEU 47 HG LEU 47 -7.589 -4.702 4.894 187 HD11 LEU 47 HD11 LEU 47 -9.729 -4.634 3.739 188 HD12 LEU 47 HD12 LEU 47 -8.840 -6.101 3.330 189 HD13 LEU 47 HD13 LEU 47 -8.907 -4.762 2.184 190 HD21 LEU 47 HD21 LEU 47 -5.478 -4.597 3.655 191 HD22 LEU 47 HD22 LEU 47 -6.361 -4.794 2.142 192 HD23 LEU 47 HD23 LEU 47 -6.354 -6.094 3.333 193 H PHE 48 HN PHE 48 -6.266 -0.320 2.789 194 HA PHE 48 HA PHE 48 -8.128 1.579 3.561 195 HB2 PHE 48 HB2 PHE 48 -5.679 1.792 3.862 196 HB3 PHE 48 HB1 PHE 48 -5.507 2.087 2.136 197 HD1 PHE 48 HD1 PHE 48 -6.023 4.213 1.186 198 HD2 PHE 48 HD2 PHE 48 -6.763 3.453 5.307 199 HE1 PHE 48 HE1 PHE 48 -6.368 6.620 1.565 200 HE2 PHE 48 HE2 PHE 48 -7.110 5.858 5.693 201 HZ PHE 48 HZ PHE 48 -6.890 7.448 3.823 202 H CYS 49 HN CYS 49 -7.234 0.546 0.349 203 HA CYS 49 HA CYS 49 -8.488 2.795 -0.957 204 HB2 CYS 49 HB2 CYS 49 -6.577 1.704 -2.011 205 HB3 CYS 49 HB1 CYS 49 -7.456 0.181 -2.074 206 HG CYS 49 HG CYS 49 -7.549 0.967 -4.645 207 H LEU 50 HN LEU 50 -9.222 -0.662 -0.576 208 HA LEU 50 HA LEU 50 -11.601 -0.721 -2.026 209 HB2 LEU 50 HB2 LEU 50 -10.915 -2.358 0.420 210 HB3 LEU 50 HB1 LEU 50 -12.112 -2.766 -0.808 211 HG LEU 50 HG LEU 50 -9.186 -2.456 -1.456 212 HD11 LEU 50 HD11 LEU 50 -8.942 -4.847 -1.278 213 HD12 LEU 50 HD12 LEU 50 -10.628 -5.015 -0.786 214 HD13 LEU 50 HD13 LEU 50 -9.479 -4.196 0.272 215 HD21 LEU 50 HD21 LEU 50 -10.745 -2.319 -3.328 216 HD22 LEU 50 HD22 LEU 50 -11.448 -3.867 -2.859 217 HD23 LEU 50 HD23 LEU 50 -9.774 -3.789 -3.407 218 H LEU 51 HN LEU 51 -10.947 0.446 1.187 219 HA LEU 51 HA LEU 51 -13.710 0.511 1.998 220 HB2 LEU 51 HB2 LEU 51 -11.262 1.787 3.219 221 HB3 LEU 51 HB1 LEU 51 -12.850 1.748 3.960 222 HG LEU 51 HG LEU 51 -11.240 -0.714 3.286 223 HD11 LEU 51 HD11 LEU 51 -11.592 0.694 5.929 224 HD12 LEU 51 HD12 LEU 51 -10.103 0.609 4.985 225 HD13 LEU 51 HD13 LEU 51 -10.790 -0.859 5.683 226 HD21 LEU 51 HD21 LEU 51 -12.849 -1.838 4.752 227 HD22 LEU 51 HD22 LEU 51 -13.643 -1.097 3.362 228 HD23 LEU 51 HD23 LEU 51 -13.730 -0.322 4.944 229 H HIS 52 HN HIS 52 -11.487 2.668 0.423 230 HA HIS 52 HA HIS 52 -13.067 5.030 0.904 231 HB2 HIS 52 HB2 HIS 52 -10.605 5.127 0.650 232 HB3 HIS 52 HB1 HIS 52 -10.774 4.610 -1.023 233 HD1 HIS 52 HD1 HIS 52 -10.861 6.451 -2.671 234 HD2 HIS 52 HD2 HIS 52 -12.060 7.701 1.106 235 HE1 HIS 52 HE1 HIS 52 -11.271 8.924 -2.879 236 HE2 HIS 52 HE2 HIS 52 -12.054 9.647 -0.597 237 H PHE 53 HN PHE 53 -12.295 3.078 -1.984 238 HA PHE 53 HA PHE 53 -14.070 4.500 -3.679 239 HB2 PHE 53 HB2 PHE 53 -12.556 1.927 -3.902 240 HB3 PHE 53 HB1 PHE 53 -13.784 2.321 -5.101 241 HD1 PHE 53 HD1 PHE 53 -13.481 4.159 -6.638 242 HD2 PHE 53 HD2 PHE 53 -10.500 3.191 -3.759 243 HE1 PHE 53 HE1 PHE 53 -11.859 5.548 -7.857 244 HE2 PHE 53 HE2 PHE 53 -8.872 4.580 -4.973 245 HZ PHE 53 HZ PHE 53 -9.551 5.762 -7.024 246 H GLY 54 HN GLY 54 -14.510 1.870 -1.463 247 HA2 GLY 54 HA2 GLY 54 -16.447 0.853 -0.739 248 HA3 GLY 54 HA1 GLY 54 -17.346 2.017 -1.701 249 H VAL 55 HN VAL 55 -14.907 -0.023 -3.101 250 HA VAL 55 HA VAL 55 -16.122 -0.909 -5.293 251 HB VAL 55 HB VAL 55 -13.886 -1.568 -4.908 252 HG11 VAL 55 HG11 VAL 55 -14.827 -3.334 -2.666 253 HG12 VAL 55 HG12 VAL 55 -14.086 -1.752 -2.450 254 HG13 VAL 55 HG13 VAL 55 -13.164 -3.067 -3.181 255 HG21 VAL 55 HG21 VAL 55 -15.143 -3.085 -6.348 256 HG22 VAL 55 HG22 VAL 55 -15.585 -4.061 -4.946 257 HG23 VAL 55 HG23 VAL 55 -13.898 -3.953 -5.448 258 H ILE 56 HN ILE 56 -16.579 -2.448 -2.132 259 HA ILE 56 HA ILE 56 -19.147 -3.450 -3.063 260 HB ILE 56 HB ILE 56 -18.378 -5.660 -1.706 261 HG12 ILE 56 HG12 ILE 56 -16.173 -6.346 -2.681 262 HG13 ILE 56 HG11 ILE 56 -15.950 -4.691 -3.231 263 HG21 ILE 56 HG21 ILE 56 -19.564 -5.611 -3.819 264 HG22 ILE 56 HG22 ILE 56 -18.213 -6.741 -3.902 265 HG23 ILE 56 HG23 ILE 56 -18.083 -5.156 -4.663 266 HD11 ILE 56 HD11 ILE 56 -16.236 -5.557 -0.364 267 HD12 ILE 56 HD12 ILE 56 -15.959 -3.910 -0.936 268 HD13 ILE 56 HD13 ILE 56 -14.725 -5.147 -1.178 269 H GLY 57 HN GLY 57 -20.173 -2.098 -1.644 270 HA2 GLY 57 HA2 GLY 57 -20.973 -2.952 0.793 271 HA3 GLY 57 HA1 GLY 57 -19.487 -2.091 1.164 272 HA PRO 58 HA PRO 58 -22.393 1.343 -0.413 273 HB2 PRO 58 HB2 PRO 58 -24.771 0.777 -1.502 274 HB3 PRO 58 HB1 PRO 58 -23.277 0.646 -2.439 275 HG2 PRO 58 HG2 PRO 58 -24.886 -1.509 -1.127 276 HG3 PRO 58 HG1 PRO 58 -24.115 -1.502 -2.723 277 HD2 PRO 58 HD2 PRO 58 -23.039 -2.692 -0.488 278 HD3 PRO 58 HD1 PRO 58 -22.089 -2.126 -1.874 279 H GLN 59 HN GLN 59 -22.386 1.150 2.044 280 HA GLN 59 HA GLN 59 -24.650 0.241 3.442 281 HB2 GLN 59 HB2 GLN 59 -22.393 0.726 4.435 282 HB3 GLN 59 HB1 GLN 59 -22.770 2.438 4.306 283 HG2 GLN 59 HG2 GLN 59 -24.565 0.567 5.802 284 HG3 GLN 59 HG1 GLN 59 -23.130 1.262 6.554 285 HE21 GLN 59 HE21 GLN 59 -25.990 1.617 7.143 286 HE22 GLN 59 HE22 GLN 59 -26.274 3.319 7.064 287 H ARG 60 HN ARG 60 -24.004 3.143 1.716 288 HA ARG 60 HA ARG 60 -26.179 4.631 2.898 289 HB2 ARG 60 HB2 ARG 60 -24.293 5.191 0.614 290 HB3 ARG 60 HB1 ARG 60 -25.638 6.256 0.993 291 HG2 ARG 60 HG2 ARG 60 -23.748 7.190 2.034 292 HG3 ARG 60 HG1 ARG 60 -24.688 6.436 3.321 293 HD2 ARG 60 HD2 ARG 60 -22.325 5.956 3.600 294 HD3 ARG 60 HD1 ARG 60 -23.213 4.478 3.237 295 HE ARG 60 HE ARG 60 -22.239 5.562 0.841 296 HH11 ARG 60 HH11 ARG 60 -21.077 4.040 3.752 297 HH12 ARG 60 HH12 ARG 60 -19.676 3.363 2.991 298 HH21 ARG 60 HH21 ARG 60 -20.397 4.674 -0.167 299 HH22 ARG 60 HH22 ARG 60 -19.291 3.721 0.765 Start of MODEL 15 1 H1 ARG 28 HT1 ARG 28 20.183 9.269 -3.350 2 H2 ARG 28 HT2 ARG 28 19.196 7.896 -3.312 3 H3 ARG 28 HT3 ARG 28 20.719 7.862 -2.578 4 HA ARG 28 HA ARG 28 20.032 9.489 -0.959 5 HB2 ARG 28 HB2 ARG 28 18.399 10.624 -2.448 6 HB3 ARG 28 HB1 ARG 28 17.319 9.247 -2.279 7 HG2 ARG 28 HG2 ARG 28 16.607 11.037 -0.831 8 HG3 ARG 28 HG1 ARG 28 17.180 9.678 0.139 9 HD2 ARG 28 HD2 ARG 28 19.269 10.785 0.558 10 HD3 ARG 28 HD1 ARG 28 18.857 12.083 -0.562 11 HE ARG 28 HE ARG 28 16.980 12.563 1.068 12 HH11 ARG 28 HH11 ARG 28 20.000 11.120 2.047 13 HH12 ARG 28 HH12 ARG 28 19.920 11.743 3.661 14 HH21 ARG 28 HH21 ARG 28 16.873 13.391 3.190 15 HH22 ARG 28 HH22 ARG 28 18.145 13.034 4.310 16 H ARG 29 HN ARG 29 17.845 6.959 -2.180 17 HA ARG 29 HA ARG 29 17.788 5.795 0.521 18 HB2 ARG 29 HB2 ARG 29 15.912 5.325 -1.805 19 HB3 ARG 29 HB1 ARG 29 15.756 4.623 -0.200 20 HG2 ARG 29 HG2 ARG 29 15.431 6.838 0.754 21 HG3 ARG 29 HG1 ARG 29 15.618 7.561 -0.845 22 HD2 ARG 29 HD2 ARG 29 13.656 6.296 -1.622 23 HD3 ARG 29 HD1 ARG 29 13.458 5.634 0.001 24 HE ARG 29 HE ARG 29 13.464 8.358 0.327 25 HH11 ARG 29 HH11 ARG 29 11.570 6.062 -1.485 26 HH12 ARG 29 HH12 ARG 29 10.125 7.013 -1.426 27 HH21 ARG 29 HH21 ARG 29 11.568 9.619 0.407 28 HH22 ARG 29 HH22 ARG 29 10.123 9.035 -0.351 29 H CYS 30 HN CYS 30 18.236 3.619 0.839 30 HA CYS 30 HA CYS 30 20.049 2.463 -1.074 31 HB2 CYS 30 HB2 CYS 30 20.438 2.356 1.383 32 HB3 CYS 30 HB1 CYS 30 19.037 1.299 1.526 33 HG CYS 30 HG CYS 30 21.600 0.402 -0.522 34 H LEU 31 HN LEU 31 19.857 0.097 -1.630 35 HA LEU 31 HA LEU 31 17.625 -0.380 -3.193 36 HB2 LEU 31 HB2 LEU 31 19.507 -2.391 -1.957 37 HB3 LEU 31 HB1 LEU 31 18.385 -2.742 -3.256 38 HG LEU 31 HG LEU 31 20.638 -0.742 -3.453 39 HD11 LEU 31 HD11 LEU 31 21.533 -2.978 -3.186 40 HD12 LEU 31 HD12 LEU 31 21.745 -2.430 -4.849 41 HD13 LEU 31 HD13 LEU 31 20.467 -3.580 -4.454 42 HD21 LEU 31 HD21 LEU 31 20.170 -0.835 -5.851 43 HD22 LEU 31 HD22 LEU 31 18.763 -0.277 -4.946 44 HD23 LEU 31 HD23 LEU 31 18.823 -1.933 -5.549 45 H PHE 32 HN PHE 32 18.384 -1.933 -0.070 46 HA PHE 32 HA PHE 32 15.850 -3.184 0.165 47 HB2 PHE 32 HB2 PHE 32 17.866 -2.556 2.332 48 HB3 PHE 32 HB1 PHE 32 16.537 -3.705 2.457 49 HD1 PHE 32 HD1 PHE 32 16.625 -5.841 1.313 50 HD2 PHE 32 HD2 PHE 32 19.851 -3.076 1.070 51 HE1 PHE 32 HE1 PHE 32 18.082 -7.623 0.444 52 HE2 PHE 32 HE2 PHE 32 21.314 -4.852 0.200 53 HZ PHE 32 HZ PHE 32 20.428 -7.128 -0.118 54 H LEU 33 HN LEU 33 17.054 -0.043 0.985 55 HA LEU 33 HA LEU 33 15.176 0.691 2.942 56 HB2 LEU 33 HB2 LEU 33 17.256 1.942 1.416 57 HB3 LEU 33 HB1 LEU 33 15.847 2.983 1.434 58 HG LEU 33 HG LEU 33 15.836 2.773 3.941 59 HD11 LEU 33 HD11 LEU 33 17.133 0.725 4.133 60 HD12 LEU 33 HD12 LEU 33 17.903 2.040 5.021 61 HD13 LEU 33 HD13 LEU 33 18.543 1.541 3.456 62 HD21 LEU 33 HD21 LEU 33 18.296 3.966 2.671 63 HD22 LEU 33 HD22 LEU 33 17.650 4.375 4.260 64 HD23 LEU 33 HD23 LEU 33 16.719 4.744 2.808 65 H SER 34 HN SER 34 15.159 1.149 -0.585 66 HA SER 34 HA SER 34 12.615 2.437 -0.617 67 HB2 SER 34 HB2 SER 34 12.750 2.148 -3.070 68 HB3 SER 34 HB1 SER 34 14.239 2.819 -2.405 69 HG SER 34 HG SER 34 14.593 0.255 -2.337 70 H LEU 35 HN LEU 35 13.708 -0.881 -0.942 71 HA LEU 35 HA LEU 35 11.230 -1.926 -1.880 72 HB2 LEU 35 HB2 LEU 35 13.429 -3.040 -2.181 73 HB3 LEU 35 HB1 LEU 35 13.459 -3.372 -0.459 74 HG LEU 35 HG LEU 35 11.419 -4.751 -0.709 75 HD11 LEU 35 HD11 LEU 35 10.454 -3.680 -2.661 76 HD12 LEU 35 HD12 LEU 35 10.695 -5.401 -2.962 77 HD13 LEU 35 HD13 LEU 35 11.809 -4.220 -3.652 78 HD21 LEU 35 HD21 LEU 35 13.718 -5.513 -2.502 79 HD22 LEU 35 HD22 LEU 35 12.504 -6.620 -1.861 80 HD23 LEU 35 HD23 LEU 35 13.612 -5.794 -0.765 81 H PHE 36 HN PHE 36 12.345 -0.911 1.173 82 HA PHE 36 HA PHE 36 10.658 -2.620 2.750 83 HB2 PHE 36 HB2 PHE 36 12.766 -1.679 3.636 84 HB3 PHE 36 HB1 PHE 36 12.081 -0.062 3.519 85 HD1 PHE 36 HD1 PHE 36 11.713 -3.332 5.205 86 HD2 PHE 36 HD2 PHE 36 10.731 0.808 5.226 87 HE1 PHE 36 HE1 PHE 36 10.786 -3.568 7.473 88 HE2 PHE 36 HE2 PHE 36 9.805 0.581 7.494 89 HZ PHE 36 HZ PHE 36 9.821 -1.610 8.616 90 H SER 37 HN SER 37 10.243 0.296 1.004 91 HA SER 37 HA SER 37 7.928 1.137 2.554 92 HB2 SER 37 HB2 SER 37 9.377 2.901 1.767 93 HB3 SER 37 HB1 SER 37 9.249 2.324 0.107 94 HG SER 37 HG SER 37 7.427 3.757 1.649 95 H PHE 38 HN PHE 38 8.679 -0.383 -0.514 96 HA PHE 38 HA PHE 38 6.165 -0.115 -1.745 97 HB2 PHE 38 HB2 PHE 38 8.126 -2.382 -2.060 98 HB3 PHE 38 HB1 PHE 38 6.854 -1.939 -3.193 99 HD1 PHE 38 HD1 PHE 38 7.272 1.080 -2.990 100 HD2 PHE 38 HD2 PHE 38 9.973 -2.160 -3.555 101 HE1 PHE 38 HE1 PHE 38 8.824 2.583 -4.163 102 HE2 PHE 38 HE2 PHE 38 11.529 -0.662 -4.731 103 HZ PHE 38 HZ PHE 38 10.965 1.693 -5.049 104 H LEU 39 HN LEU 39 7.522 -3.069 -0.335 105 HA LEU 39 HA LEU 39 5.318 -4.658 -0.346 106 HB2 LEU 39 HB2 LEU 39 7.678 -5.206 0.377 107 HB3 LEU 39 HB1 LEU 39 7.239 -4.587 1.959 108 HG LEU 39 HG LEU 39 5.334 -6.270 1.920 109 HD11 LEU 39 HD11 LEU 39 5.381 -6.778 -0.456 110 HD12 LEU 39 HD12 LEU 39 5.674 -8.232 0.499 111 HD13 LEU 39 HD13 LEU 39 7.017 -7.416 -0.300 112 HD21 LEU 39 HD21 LEU 39 7.273 -6.530 3.337 113 HD22 LEU 39 HD22 LEU 39 8.195 -7.207 1.996 114 HD23 LEU 39 HD23 LEU 39 6.822 -8.094 2.658 115 H ILE 40 HN ILE 40 6.069 -2.147 2.021 116 HA ILE 40 HA ILE 40 3.851 -2.861 3.720 117 HB ILE 40 HB ILE 40 5.597 -0.396 3.758 118 HG12 ILE 40 HG12 ILE 40 5.700 -2.925 5.424 119 HG13 ILE 40 HG11 ILE 40 6.832 -2.500 4.144 120 HG21 ILE 40 HG21 ILE 40 3.652 -1.456 5.808 121 HG22 ILE 40 HG22 ILE 40 3.459 0.006 4.841 122 HG23 ILE 40 HG23 ILE 40 4.744 -0.091 6.044 123 HD11 ILE 40 HD11 ILE 40 7.558 -0.558 5.437 124 HD12 ILE 40 HD12 ILE 40 7.780 -2.063 6.329 125 HD13 ILE 40 HD13 ILE 40 6.431 -0.997 6.721 126 H VAL 41 HN VAL 41 4.543 -0.345 1.332 127 HA VAL 41 HA VAL 41 2.122 1.088 1.761 128 HB VAL 41 HB VAL 41 4.289 1.943 0.667 129 HG11 VAL 41 HG11 VAL 41 2.950 0.786 -1.765 130 HG12 VAL 41 HG12 VAL 41 4.443 0.206 -1.034 131 HG13 VAL 41 HG13 VAL 41 4.383 1.815 -1.747 132 HG21 VAL 41 HG21 VAL 41 3.048 3.600 -0.643 133 HG22 VAL 41 HG22 VAL 41 2.274 3.289 0.911 134 HG23 VAL 41 HG23 VAL 41 1.610 2.584 -0.563 135 H LEU 42 HN LEU 42 2.881 -1.784 0.083 136 HA LEU 42 HA LEU 42 0.668 -1.613 -1.772 137 HB2 LEU 42 HB2 LEU 42 2.625 -3.812 -1.112 138 HB3 LEU 42 HB1 LEU 42 1.314 -4.010 -2.271 139 HG LEU 42 HG LEU 42 3.537 -1.974 -2.509 140 HD11 LEU 42 HD11 LEU 42 3.129 -4.595 -3.942 141 HD12 LEU 42 HD12 LEU 42 4.385 -4.241 -2.756 142 HD13 LEU 42 HD13 LEU 42 4.376 -3.401 -4.307 143 HD21 LEU 42 HD21 LEU 42 2.687 -1.694 -4.794 144 HD22 LEU 42 HD22 LEU 42 1.483 -1.248 -3.586 145 HD23 LEU 42 HD23 LEU 42 1.357 -2.793 -4.426 146 H LEU 43 HN LEU 43 1.490 -3.506 1.125 147 HA LEU 43 HA LEU 43 -0.865 -5.014 1.248 148 HB2 LEU 43 HB2 LEU 43 1.303 -5.269 2.591 149 HB3 LEU 43 HB1 LEU 43 0.660 -4.039 3.657 150 HG LEU 43 HG LEU 43 0.373 -6.418 4.430 151 HD11 LEU 43 HD11 LEU 43 -1.787 -6.060 5.358 152 HD12 LEU 43 HD12 LEU 43 -2.224 -4.946 4.065 153 HD13 LEU 43 HD13 LEU 43 -0.991 -4.491 5.241 154 HD21 LEU 43 HD21 LEU 43 -0.166 -7.407 2.259 155 HD22 LEU 43 HD22 LEU 43 -1.678 -6.501 2.221 156 HD23 LEU 43 HD23 LEU 43 -1.421 -7.737 3.453 157 H LEU 44 HN LEU 44 -0.093 -1.805 2.486 158 HA LEU 44 HA LEU 44 -2.503 -1.448 3.941 159 HB2 LEU 44 HB2 LEU 44 -0.526 0.542 2.836 160 HB3 LEU 44 HB1 LEU 44 -1.869 0.974 3.876 161 HG LEU 44 HG LEU 44 0.382 -0.882 4.652 162 HD11 LEU 44 HD11 LEU 44 1.177 1.394 4.372 163 HD12 LEU 44 HD12 LEU 44 1.118 0.968 6.082 164 HD13 LEU 44 HD13 LEU 44 -0.135 1.996 5.385 165 HD21 LEU 44 HD21 LEU 44 -1.691 -1.388 5.817 166 HD22 LEU 44 HD22 LEU 44 -1.875 0.309 6.263 167 HD23 LEU 44 HD23 LEU 44 -0.535 -0.635 6.915 168 H THR 45 HN THR 45 -1.466 -0.341 0.718 169 HA THR 45 HA THR 45 -3.718 1.133 0.044 170 HB THR 45 HB THR 45 -3.136 0.454 -2.371 171 HG1 THR 45 HG1 THR 45 -0.739 -0.307 -2.164 172 HG21 THR 45 HG21 THR 45 -1.076 1.764 -0.594 173 HG22 THR 45 HG22 THR 45 -2.427 2.560 -1.401 174 HG23 THR 45 HG23 THR 45 -1.112 1.871 -2.355 175 H THR 46 HN THR 46 -3.385 -2.297 0.306 176 HA THR 46 HA THR 46 -5.398 -3.135 -1.462 177 HB THR 46 HB THR 46 -4.597 -4.432 1.151 178 HG1 THR 46 HG1 THR 46 -3.515 -4.475 -1.456 179 HG21 THR 46 HG21 THR 46 -5.890 -5.652 -1.290 180 HG22 THR 46 HG22 THR 46 -6.752 -5.227 0.188 181 HG23 THR 46 HG23 THR 46 -5.500 -6.470 0.224 182 H LEU 47 HN LEU 47 -5.633 -2.737 2.084 183 HA LEU 47 HA LEU 47 -8.514 -2.830 1.969 184 HB2 LEU 47 HB2 LEU 47 -6.560 -2.392 4.221 185 HB3 LEU 47 HB1 LEU 47 -8.295 -2.334 4.451 186 HG LEU 47 HG LEU 47 -7.487 -4.489 5.141 187 HD11 LEU 47 HD11 LEU 47 -9.661 -4.415 4.010 188 HD12 LEU 47 HD12 LEU 47 -8.834 -5.953 3.762 189 HD13 LEU 47 HD13 LEU 47 -8.864 -4.750 2.473 190 HD21 LEU 47 HD21 LEU 47 -6.330 -6.009 3.641 191 HD22 LEU 47 HD22 LEU 47 -5.412 -4.515 3.837 192 HD23 LEU 47 HD23 LEU 47 -6.346 -4.790 2.366 193 H PHE 48 HN PHE 48 -6.030 -0.402 2.213 194 HA PHE 48 HA PHE 48 -7.563 1.753 3.141 195 HB2 PHE 48 HB2 PHE 48 -5.142 1.861 3.100 196 HB3 PHE 48 HB1 PHE 48 -5.127 1.719 1.346 197 HD1 PHE 48 HD1 PHE 48 -5.398 3.611 -0.034 198 HD2 PHE 48 HD2 PHE 48 -6.052 3.924 4.159 199 HE1 PHE 48 HE1 PHE 48 -5.467 6.064 -0.231 200 HE2 PHE 48 HE2 PHE 48 -6.125 6.376 3.970 201 HZ PHE 48 HZ PHE 48 -5.832 7.448 1.772 202 H CYS 49 HN CYS 49 -7.062 0.482 -0.110 203 HA CYS 49 HA CYS 49 -8.428 2.632 -1.409 204 HB2 CYS 49 HB2 CYS 49 -6.740 1.293 -2.586 205 HB3 CYS 49 HB1 CYS 49 -7.753 -0.138 -2.423 206 HG CYS 49 HG CYS 49 -7.806 2.212 -4.739 207 H LEU 50 HN LEU 50 -9.333 -0.553 -0.227 208 HA LEU 50 HA LEU 50 -11.898 -0.655 -1.415 209 HB2 LEU 50 HB2 LEU 50 -10.928 -1.963 1.133 210 HB3 LEU 50 HB1 LEU 50 -12.375 -2.409 0.236 211 HG LEU 50 HG LEU 50 -9.640 -2.546 -1.012 212 HD11 LEU 50 HD11 LEU 50 -9.401 -4.799 -0.352 213 HD12 LEU 50 HD12 LEU 50 -11.038 -4.859 0.305 214 HD13 LEU 50 HD13 LEU 50 -9.795 -3.904 1.116 215 HD21 LEU 50 HD21 LEU 50 -12.248 -3.933 -1.611 216 HD22 LEU 50 HD22 LEU 50 -10.735 -4.149 -2.491 217 HD23 LEU 50 HD23 LEU 50 -11.557 -2.589 -2.518 218 H LEU 51 HN LEU 51 -10.671 0.739 1.548 219 HA LEU 51 HA LEU 51 -13.277 1.362 2.604 220 HB2 LEU 51 HB2 LEU 51 -10.515 2.278 3.410 221 HB3 LEU 51 HB1 LEU 51 -11.982 2.646 4.299 222 HG LEU 51 HG LEU 51 -10.919 -0.141 3.829 223 HD11 LEU 51 HD11 LEU 51 -10.791 1.601 6.286 224 HD12 LEU 51 HD12 LEU 51 -9.427 1.128 5.272 225 HD13 LEU 51 HD13 LEU 51 -10.304 -0.092 6.196 226 HD21 LEU 51 HD21 LEU 51 -13.142 0.873 5.598 227 HD22 LEU 51 HD22 LEU 51 -12.567 -0.792 5.510 228 HD23 LEU 51 HD23 LEU 51 -13.342 -0.052 4.109 229 H HIS 52 HN HIS 52 -10.770 2.996 0.781 230 HA HIS 52 HA HIS 52 -11.950 5.599 0.995 231 HB2 HIS 52 HB2 HIS 52 -9.547 5.356 0.652 232 HB3 HIS 52 HB1 HIS 52 -9.826 4.528 -0.875 233 HD1 HIS 52 HD1 HIS 52 -9.824 7.921 0.687 234 HD2 HIS 52 HD2 HIS 52 -10.493 6.191 -3.033 235 HE1 HIS 52 HE1 HIS 52 -9.853 9.831 -0.948 236 HE2 HIS 52 HE2 HIS 52 -10.140 8.747 -3.204 237 H PHE 53 HN PHE 53 -12.274 2.883 -1.149 238 HA PHE 53 HA PHE 53 -13.651 4.447 -3.176 239 HB2 PHE 53 HB2 PHE 53 -12.120 2.584 -3.805 240 HB3 PHE 53 HB1 PHE 53 -13.228 1.455 -3.035 241 HD1 PHE 53 HD1 PHE 53 -15.234 0.763 -4.112 242 HD2 PHE 53 HD2 PHE 53 -12.794 3.790 -5.845 243 HE1 PHE 53 HE1 PHE 53 -16.501 0.577 -6.212 244 HE2 PHE 53 HE2 PHE 53 -14.058 3.610 -7.948 245 HZ PHE 53 HZ PHE 53 -15.914 2.002 -8.134 246 H GLY 54 HN GLY 54 -14.369 2.399 -0.471 247 HA2 GLY 54 HA2 GLY 54 -16.384 2.124 0.634 248 HA3 GLY 54 HA1 GLY 54 -17.142 3.152 -0.572 249 H VAL 55 HN VAL 55 -15.303 0.339 -1.489 250 HA VAL 55 HA VAL 55 -17.169 -0.757 -3.163 251 HB VAL 55 HB VAL 55 -14.944 -1.575 -3.250 252 HG11 VAL 55 HG11 VAL 55 -15.356 -2.416 -0.406 253 HG12 VAL 55 HG12 VAL 55 -14.160 -1.298 -1.050 254 HG13 VAL 55 HG13 VAL 55 -14.035 -3.021 -1.400 255 HG21 VAL 55 HG21 VAL 55 -16.698 -3.813 -2.249 256 HG22 VAL 55 HG22 VAL 55 -15.246 -3.990 -3.236 257 HG23 VAL 55 HG23 VAL 55 -16.671 -3.187 -3.897 258 H ILE 56 HN ILE 56 -16.801 -1.331 0.288 259 HA ILE 56 HA ILE 56 -19.537 -2.315 0.394 260 HB ILE 56 HB ILE 56 -18.461 -4.113 2.087 261 HG12 ILE 56 HG12 ILE 56 -16.598 -5.243 0.861 262 HG13 ILE 56 HG11 ILE 56 -16.514 -3.851 -0.212 263 HG21 ILE 56 HG21 ILE 56 -18.909 -5.787 0.357 264 HG22 ILE 56 HG22 ILE 56 -18.943 -4.513 -0.862 265 HG23 ILE 56 HG23 ILE 56 -20.166 -4.550 0.409 266 HD11 ILE 56 HD11 ILE 56 -16.051 -3.790 2.761 267 HD12 ILE 56 HD12 ILE 56 -15.911 -2.426 1.652 268 HD13 ILE 56 HD13 ILE 56 -14.798 -3.786 1.518 269 H GLY 57 HN GLY 57 -17.420 -0.231 1.516 270 HA2 GLY 57 HA2 GLY 57 -18.877 0.412 3.841 271 HA3 GLY 57 HA1 GLY 57 -17.412 -0.442 4.303 272 HA PRO 58 HA PRO 58 -16.143 3.758 2.098 273 HB2 PRO 58 HB2 PRO 58 -18.526 5.367 2.795 274 HB3 PRO 58 HB1 PRO 58 -17.601 5.321 1.291 275 HG2 PRO 58 HG2 PRO 58 -20.038 4.232 1.455 276 HG3 PRO 58 HG1 PRO 58 -18.758 3.492 0.478 277 HD2 PRO 58 HD2 PRO 58 -19.770 2.712 3.185 278 HD3 PRO 58 HD1 PRO 58 -19.292 1.681 1.819 279 H GLN 59 HN GLN 59 -14.809 3.556 3.952 280 HA GLN 59 HA GLN 59 -15.658 4.534 6.509 281 HB2 GLN 59 HB2 GLN 59 -13.921 2.739 6.117 282 HB3 GLN 59 HB1 GLN 59 -12.828 4.015 5.600 283 HG2 GLN 59 HG2 GLN 59 -12.405 3.418 7.901 284 HG3 GLN 59 HG1 GLN 59 -13.019 5.068 7.798 285 HE21 GLN 59 HE21 GLN 59 -13.708 1.800 8.769 286 HE22 GLN 59 HE22 GLN 59 -15.098 2.163 9.729 287 H ARG 60 HN ARG 60 -14.708 6.042 3.686 288 HA ARG 60 HA ARG 60 -13.882 8.457 5.160 289 HB2 ARG 60 HB2 ARG 60 -12.059 7.480 3.792 290 HB3 ARG 60 HB1 ARG 60 -13.063 7.660 2.361 291 HG2 ARG 60 HG2 ARG 60 -13.056 10.074 2.634 292 HG3 ARG 60 HG1 ARG 60 -12.095 9.915 4.107 293 HD2 ARG 60 HD2 ARG 60 -10.312 8.838 2.775 294 HD3 ARG 60 HD1 ARG 60 -11.264 9.116 1.319 295 HE ARG 60 HE ARG 60 -11.043 11.590 2.367 296 HH11 ARG 60 HH11 ARG 60 -8.712 9.096 1.670 297 HH12 ARG 60 HH12 ARG 60 -7.428 10.209 1.339 298 HH21 ARG 60 HH21 ARG 60 -9.356 13.064 1.935 299 HH22 ARG 60 HH22 ARG 60 -7.792 12.464 1.491 Start of MODEL 16 1 H1 ARG 28 HT1 ARG 28 26.045 4.354 -7.836 2 H2 ARG 28 HT2 ARG 28 24.618 5.113 -8.333 3 H3 ARG 28 HT3 ARG 28 24.799 3.443 -8.530 4 HA ARG 28 HA ARG 28 24.806 3.091 -6.178 5 HB2 ARG 28 HB2 ARG 28 24.364 6.075 -5.950 6 HB3 ARG 28 HB1 ARG 28 24.471 4.926 -4.622 7 HG2 ARG 28 HG2 ARG 28 26.706 5.577 -6.534 8 HG3 ARG 28 HG1 ARG 28 26.522 6.245 -4.911 9 HD2 ARG 28 HD2 ARG 28 26.854 3.323 -5.587 10 HD3 ARG 28 HD1 ARG 28 28.116 4.382 -4.958 11 HE ARG 28 HE ARG 28 25.992 4.500 -3.177 12 HH11 ARG 28 HH11 ARG 28 28.224 2.114 -4.386 13 HH12 ARG 28 HH12 ARG 28 28.214 1.178 -2.928 14 HH21 ARG 28 HH21 ARG 28 25.974 3.275 -1.252 15 HH22 ARG 28 HH22 ARG 28 26.936 1.839 -1.147 16 H ARG 29 HN ARG 29 23.000 1.950 -6.837 17 HA ARG 29 HA ARG 29 20.460 3.415 -6.601 18 HB2 ARG 29 HB2 ARG 29 20.863 2.951 -8.970 19 HB3 ARG 29 HB1 ARG 29 21.092 1.245 -8.611 20 HG2 ARG 29 HG2 ARG 29 18.778 1.059 -7.903 21 HG3 ARG 29 HG1 ARG 29 18.537 2.783 -8.187 22 HD2 ARG 29 HD2 ARG 29 19.312 0.761 -10.287 23 HD3 ARG 29 HD1 ARG 29 17.684 1.386 -10.030 24 HE ARG 29 HE ARG 29 19.230 3.609 -10.398 25 HH11 ARG 29 HH11 ARG 29 18.604 0.709 -12.227 26 HH12 ARG 29 HH12 ARG 29 18.814 1.480 -13.764 27 HH21 ARG 29 HH21 ARG 29 19.506 4.632 -12.416 28 HH22 ARG 29 HH22 ARG 29 19.328 3.710 -13.871 29 H CYS 30 HN CYS 30 19.195 2.626 -5.073 30 HA CYS 30 HA CYS 30 19.638 -0.142 -4.162 31 HB2 CYS 30 HB2 CYS 30 18.509 2.193 -2.605 32 HB3 CYS 30 HB1 CYS 30 18.806 0.575 -1.977 33 HG CYS 30 HG CYS 30 20.720 2.868 -1.412 34 H LEU 31 HN LEU 31 18.182 -1.157 -5.519 35 HA LEU 31 HA LEU 31 15.462 -0.231 -5.747 36 HB2 LEU 31 HB2 LEU 31 16.573 -1.293 -7.644 37 HB3 LEU 31 HB1 LEU 31 16.794 -2.762 -6.713 38 HG LEU 31 HG LEU 31 14.003 -1.814 -7.038 39 HD11 LEU 31 HD11 LEU 31 14.890 -1.416 -9.265 40 HD12 LEU 31 HD12 LEU 31 13.829 -2.825 -9.264 41 HD13 LEU 31 HD13 LEU 31 15.578 -3.040 -9.298 42 HD21 LEU 31 HD21 LEU 31 15.342 -4.512 -7.214 43 HD22 LEU 31 HD22 LEU 31 13.604 -4.219 -7.258 44 HD23 LEU 31 HD23 LEU 31 14.523 -3.850 -5.800 45 H PHE 32 HN PHE 32 17.234 -2.516 -3.822 46 HA PHE 32 HA PHE 32 14.915 -3.957 -2.918 47 HB2 PHE 32 HB2 PHE 32 17.154 -5.009 -3.029 48 HB3 PHE 32 HB1 PHE 32 17.716 -3.907 -1.778 49 HD1 PHE 32 HD1 PHE 32 17.129 -4.231 0.521 50 HD2 PHE 32 HD2 PHE 32 15.568 -6.790 -2.502 51 HE1 PHE 32 HE1 PHE 32 16.380 -5.812 2.251 52 HE2 PHE 32 HE2 PHE 32 14.816 -8.376 -0.776 53 HZ PHE 32 HZ PHE 32 15.222 -7.887 1.603 54 H LEU 33 HN LEU 33 17.104 -1.540 -1.505 55 HA LEU 33 HA LEU 33 15.859 -1.374 1.004 56 HB2 LEU 33 HB2 LEU 33 17.245 0.904 -0.396 57 HB3 LEU 33 HB1 LEU 33 17.081 0.651 1.329 58 HG LEU 33 HG LEU 33 18.792 -0.949 -0.574 59 HD11 LEU 33 HD11 LEU 33 20.640 -0.075 0.720 60 HD12 LEU 33 HD12 LEU 33 19.524 0.804 1.765 61 HD13 LEU 33 HD13 LEU 33 19.677 1.250 0.065 62 HD21 LEU 33 HD21 LEU 33 19.539 -2.177 1.419 63 HD22 LEU 33 HD22 LEU 33 17.831 -2.442 1.075 64 HD23 LEU 33 HD23 LEU 33 18.309 -1.352 2.376 65 H SER 34 HN SER 34 15.048 0.015 -2.077 66 HA SER 34 HA SER 34 13.182 1.929 -0.991 67 HB2 SER 34 HB2 SER 34 14.349 2.432 -3.086 68 HB3 SER 34 HB1 SER 34 13.636 1.008 -3.842 69 HG SER 34 HG SER 34 12.116 3.142 -2.759 70 H LEU 35 HN LEU 35 13.127 -1.349 -2.092 71 HA LEU 35 HA LEU 35 10.258 -1.450 -2.417 72 HB2 LEU 35 HB2 LEU 35 11.835 -2.829 -3.768 73 HB3 LEU 35 HB1 LEU 35 12.231 -3.725 -2.314 74 HG LEU 35 HG LEU 35 9.788 -4.346 -2.152 75 HD11 LEU 35 HD11 LEU 35 8.894 -2.576 -3.569 76 HD12 LEU 35 HD12 LEU 35 8.459 -4.168 -4.194 77 HD13 LEU 35 HD13 LEU 35 9.751 -3.244 -4.959 78 HD21 LEU 35 HD21 LEU 35 9.962 -6.093 -3.851 79 HD22 LEU 35 HD22 LEU 35 11.476 -5.896 -2.968 80 HD23 LEU 35 HD23 LEU 35 11.311 -5.235 -4.595 81 H PHE 36 HN PHE 36 12.523 -1.855 0.123 82 HA PHE 36 HA PHE 36 11.112 -3.657 1.770 83 HB2 PHE 36 HB2 PHE 36 13.510 -2.997 2.055 84 HB3 PHE 36 HB1 PHE 36 12.961 -1.440 2.668 85 HD1 PHE 36 HD1 PHE 36 12.418 -1.174 4.921 86 HD2 PHE 36 HD2 PHE 36 12.794 -5.089 3.296 87 HE1 PHE 36 HE1 PHE 36 12.266 -2.124 7.185 88 HE2 PHE 36 HE2 PHE 36 12.640 -6.048 5.557 89 HZ PHE 36 HZ PHE 36 12.375 -4.565 7.506 90 H SER 37 HN SER 37 10.675 -0.297 1.087 91 HA SER 37 HA SER 37 8.833 0.014 3.347 92 HB2 SER 37 HB2 SER 37 8.839 2.430 2.702 93 HB3 SER 37 HB1 SER 37 10.437 1.814 3.128 94 HG SER 37 HG SER 37 10.591 1.441 0.728 95 H PHE 38 HN PHE 38 8.958 -0.099 -0.143 96 HA PHE 38 HA PHE 38 6.389 0.905 -0.701 97 HB2 PHE 38 HB2 PHE 38 8.252 0.525 -2.364 98 HB3 PHE 38 HB1 PHE 38 7.862 -1.191 -2.303 99 HD1 PHE 38 HD1 PHE 38 5.850 -2.045 -3.315 100 HD2 PHE 38 HD2 PHE 38 6.751 2.112 -3.417 101 HE1 PHE 38 HE1 PHE 38 4.134 -1.720 -5.048 102 HE2 PHE 38 HE2 PHE 38 5.035 2.447 -5.151 103 HZ PHE 38 HZ PHE 38 3.727 0.537 -5.969 104 H LEU 39 HN LEU 39 7.480 -2.161 0.473 105 HA LEU 39 HA LEU 39 5.226 -3.710 -0.265 106 HB2 LEU 39 HB2 LEU 39 7.489 -4.561 0.446 107 HB3 LEU 39 HB1 LEU 39 7.041 -4.174 2.096 108 HG LEU 39 HG LEU 39 5.246 -5.948 0.515 109 HD11 LEU 39 HD11 LEU 39 7.477 -6.841 0.084 110 HD12 LEU 39 HD12 LEU 39 6.561 -7.903 1.154 111 HD13 LEU 39 HD13 LEU 39 7.811 -6.851 1.816 112 HD21 LEU 39 HD21 LEU 39 4.918 -6.971 2.727 113 HD22 LEU 39 HD22 LEU 39 4.567 -5.243 2.737 114 HD23 LEU 39 HD23 LEU 39 6.084 -5.838 3.411 115 H ILE 40 HN ILE 40 6.104 -2.078 2.776 116 HA ILE 40 HA ILE 40 3.825 -2.801 4.232 117 HB ILE 40 HB ILE 40 5.446 -0.267 4.519 118 HG12 ILE 40 HG12 ILE 40 5.769 -2.932 5.916 119 HG13 ILE 40 HG11 ILE 40 6.800 -2.355 4.611 120 HG21 ILE 40 HG21 ILE 40 3.672 -1.703 6.491 121 HG22 ILE 40 HG22 ILE 40 3.296 -0.184 5.678 122 HG23 ILE 40 HG23 ILE 40 4.635 -0.263 6.823 123 HD11 ILE 40 HD11 ILE 40 7.475 -0.457 6.022 124 HD12 ILE 40 HD12 ILE 40 7.881 -2.019 6.734 125 HD13 ILE 40 HD13 ILE 40 6.492 -1.111 7.333 126 H VAL 41 HN VAL 41 4.468 0.054 2.223 127 HA VAL 41 HA VAL 41 2.019 1.360 2.719 128 HB VAL 41 HB VAL 41 3.770 1.556 0.264 129 HG11 VAL 41 HG11 VAL 41 1.545 2.470 -0.113 130 HG12 VAL 41 HG12 VAL 41 2.740 3.763 -0.023 131 HG13 VAL 41 HG13 VAL 41 1.683 3.444 1.351 132 HG21 VAL 41 HG21 VAL 41 4.773 3.487 1.367 133 HG22 VAL 41 HG22 VAL 41 5.003 2.019 2.318 134 HG23 VAL 41 HG23 VAL 41 3.777 3.195 2.793 135 H LEU 42 HN LEU 42 2.983 -1.087 0.395 136 HA LEU 42 HA LEU 42 0.716 -0.905 -1.276 137 HB2 LEU 42 HB2 LEU 42 2.985 -2.108 -1.647 138 HB3 LEU 42 HB1 LEU 42 2.229 -3.458 -0.812 139 HG LEU 42 HG LEU 42 2.156 -3.649 -3.283 140 HD11 LEU 42 HD11 LEU 42 0.482 -4.762 -1.860 141 HD12 LEU 42 HD12 LEU 42 -0.149 -4.330 -3.449 142 HD13 LEU 42 HD13 LEU 42 -0.573 -3.360 -2.040 143 HD21 LEU 42 HD21 LEU 42 1.938 -1.281 -3.825 144 HD22 LEU 42 HD22 LEU 42 0.324 -1.260 -3.117 145 HD23 LEU 42 HD23 LEU 42 0.641 -2.224 -4.559 146 H LEU 43 HN LEU 43 1.492 -3.136 1.391 147 HA LEU 43 HA LEU 43 -0.871 -4.599 1.378 148 HB2 LEU 43 HB2 LEU 43 0.869 -3.847 3.727 149 HB3 LEU 43 HB1 LEU 43 -0.369 -5.088 3.758 150 HG LEU 43 HG LEU 43 2.123 -5.141 2.053 151 HD11 LEU 43 HD11 LEU 43 2.588 -5.463 4.424 152 HD12 LEU 43 HD12 LEU 43 2.816 -6.962 3.523 153 HD13 LEU 43 HD13 LEU 43 1.365 -6.732 4.500 154 HD21 LEU 43 HD21 LEU 43 -0.061 -7.189 2.420 155 HD22 LEU 43 HD22 LEU 43 1.445 -7.443 1.538 156 HD23 LEU 43 HD23 LEU 43 0.269 -6.266 0.954 157 H LEU 44 HN LEU 44 -0.272 -1.372 2.491 158 HA LEU 44 HA LEU 44 -2.656 -1.224 4.109 159 HB2 LEU 44 HB2 LEU 44 -0.723 0.884 3.155 160 HB3 LEU 44 HB1 LEU 44 -2.106 1.227 4.176 161 HG LEU 44 HG LEU 44 0.220 -0.554 4.913 162 HD11 LEU 44 HD11 LEU 44 -0.541 2.219 5.814 163 HD12 LEU 44 HD12 LEU 44 0.866 1.774 4.848 164 HD13 LEU 44 HD13 LEU 44 0.740 1.235 6.521 165 HD21 LEU 44 HD21 LEU 44 -0.786 -0.536 7.157 166 HD22 LEU 44 HD22 LEU 44 -1.834 -1.308 5.966 167 HD23 LEU 44 HD23 LEU 44 -2.179 0.332 6.512 168 H THR 45 HN THR 45 -1.616 0.109 0.980 169 HA THR 45 HA THR 45 -3.933 1.522 0.363 170 HB THR 45 HB THR 45 -3.257 1.229 -2.036 171 HG1 THR 45 HG1 THR 45 -0.843 0.093 -1.286 172 HG21 THR 45 HG21 THR 45 -1.161 2.488 -1.815 173 HG22 THR 45 HG22 THR 45 -1.081 2.047 -0.109 174 HG23 THR 45 HG23 THR 45 -2.391 3.075 -0.694 175 H THR 46 HN THR 46 -3.369 -1.881 0.375 176 HA THR 46 HA THR 46 -5.276 -2.724 -1.498 177 HB THR 46 HB THR 46 -4.468 -4.154 1.041 178 HG1 THR 46 HG1 THR 46 -2.628 -3.773 -0.167 179 HG21 THR 46 HG21 THR 46 -6.464 -5.102 -0.000 180 HG22 THR 46 HG22 THR 46 -5.084 -6.183 -0.197 181 HG23 THR 46 HG23 THR 46 -5.624 -5.189 -1.549 182 H LEU 47 HN LEU 47 -5.617 -2.586 2.056 183 HA LEU 47 HA LEU 47 -8.477 -2.874 1.874 184 HB2 LEU 47 HB2 LEU 47 -6.583 -2.432 4.171 185 HB3 LEU 47 HB1 LEU 47 -8.321 -2.447 4.391 186 HG LEU 47 HG LEU 47 -7.438 -4.597 4.998 187 HD11 LEU 47 HD11 LEU 47 -8.702 -6.056 3.511 188 HD12 LEU 47 HD12 LEU 47 -8.807 -4.760 2.318 189 HD13 LEU 47 HD13 LEU 47 -9.603 -4.586 3.881 190 HD21 LEU 47 HD21 LEU 47 -6.213 -6.008 3.449 191 HD22 LEU 47 HD22 LEU 47 -5.355 -4.490 3.709 192 HD23 LEU 47 HD23 LEU 47 -6.269 -4.742 2.222 193 H PHE 48 HN PHE 48 -6.185 -0.275 2.364 194 HA PHE 48 HA PHE 48 -7.916 1.703 3.318 195 HB2 PHE 48 HB2 PHE 48 -5.537 2.052 3.394 196 HB3 PHE 48 HB1 PHE 48 -5.405 1.914 1.645 197 HD1 PHE 48 HD1 PHE 48 -5.650 3.795 0.267 198 HD2 PHE 48 HD2 PHE 48 -6.768 4.020 4.368 199 HE1 PHE 48 HE1 PHE 48 -5.909 6.234 0.059 200 HE2 PHE 48 HE2 PHE 48 -7.028 6.457 4.169 201 HZ PHE 48 HZ PHE 48 -6.593 7.568 2.006 202 H CYS 49 HN CYS 49 -7.037 0.830 -0.006 203 HA CYS 49 HA CYS 49 -8.733 2.819 -1.178 204 HB2 CYS 49 HB2 CYS 49 -6.687 1.877 -2.284 205 HB3 CYS 49 HB1 CYS 49 -7.555 0.360 -2.487 206 HG CYS 49 HG CYS 49 -9.053 1.051 -4.513 207 H LEU 50 HN LEU 50 -9.091 -0.431 -0.084 208 HA LEU 50 HA LEU 50 -11.379 -1.168 -1.579 209 HB2 LEU 50 HB2 LEU 50 -9.816 -2.189 0.681 210 HB3 LEU 50 HB1 LEU 50 -11.523 -2.601 0.758 211 HG LEU 50 HG LEU 50 -9.722 -3.189 -1.592 212 HD11 LEU 50 HD11 LEU 50 -10.671 -5.000 0.623 213 HD12 LEU 50 HD12 LEU 50 -9.014 -4.461 0.348 214 HD13 LEU 50 HD13 LEU 50 -9.804 -5.517 -0.824 215 HD21 LEU 50 HD21 LEU 50 -12.517 -4.116 -0.935 216 HD22 LEU 50 HD22 LEU 50 -11.553 -4.649 -2.312 217 HD23 LEU 50 HD23 LEU 50 -12.073 -2.967 -2.198 218 H LEU 51 HN LEU 51 -10.882 0.535 1.423 219 HA LEU 51 HA LEU 51 -13.647 0.437 2.208 220 HB2 LEU 51 HB2 LEU 51 -11.328 2.019 3.301 221 HB3 LEU 51 HB1 LEU 51 -12.916 1.922 4.040 222 HG LEU 51 HG LEU 51 -11.299 -0.558 3.528 223 HD11 LEU 51 HD11 LEU 51 -11.176 1.212 5.969 224 HD12 LEU 51 HD12 LEU 51 -9.869 0.927 4.820 225 HD13 LEU 51 HD13 LEU 51 -10.463 -0.393 5.827 226 HD21 LEU 51 HD21 LEU 51 -13.655 -0.844 4.055 227 HD22 LEU 51 HD22 LEU 51 -13.467 0.141 5.506 228 HD23 LEU 51 HD23 LEU 51 -12.648 -1.418 5.385 229 H HIS 52 HN HIS 52 -11.466 3.099 1.217 230 HA HIS 52 HA HIS 52 -13.582 5.006 1.136 231 HB2 HIS 52 HB2 HIS 52 -11.163 5.551 1.513 232 HB3 HIS 52 HB1 HIS 52 -10.881 5.227 -0.196 233 HD1 HIS 52 HD1 HIS 52 -13.061 7.502 1.933 234 HD2 HIS 52 HD2 HIS 52 -11.175 7.415 -1.767 235 HE1 HIS 52 HE1 HIS 52 -13.441 9.777 0.934 236 HE2 HIS 52 HE2 HIS 52 -12.170 9.744 -1.242 237 H PHE 53 HN PHE 53 -11.606 3.656 -1.527 238 HA PHE 53 HA PHE 53 -13.381 4.671 -3.521 239 HB2 PHE 53 HB2 PHE 53 -11.120 2.675 -3.679 240 HB3 PHE 53 HB1 PHE 53 -11.995 3.281 -5.080 241 HD1 PHE 53 HD1 PHE 53 -9.879 4.330 -2.225 242 HD2 PHE 53 HD2 PHE 53 -11.400 5.310 -6.076 243 HE1 PHE 53 HE1 PHE 53 -8.349 6.255 -2.336 244 HE2 PHE 53 HE2 PHE 53 -9.874 7.236 -6.194 245 HZ PHE 53 HZ PHE 53 -8.361 7.723 -4.308 246 H GLY 54 HN GLY 54 -13.453 1.950 -1.518 247 HA2 GLY 54 HA2 GLY 54 -15.146 0.372 -1.336 248 HA3 GLY 54 HA1 GLY 54 -15.817 0.957 -2.850 249 H VAL 55 HN VAL 55 -13.121 0.647 -4.144 250 HA VAL 55 HA VAL 55 -12.243 -1.987 -4.024 251 HB VAL 55 HB VAL 55 -14.417 -2.632 -4.811 252 HG11 VAL 55 HG11 VAL 55 -15.452 -1.866 -6.782 253 HG12 VAL 55 HG12 VAL 55 -14.006 -1.001 -7.289 254 HG13 VAL 55 HG13 VAL 55 -14.931 -0.430 -5.902 255 HG21 VAL 55 HG21 VAL 55 -13.799 -3.835 -6.874 256 HG22 VAL 55 HG22 VAL 55 -12.568 -3.953 -5.615 257 HG23 VAL 55 HG23 VAL 55 -12.335 -2.855 -6.975 258 H ILE 56 HN ILE 56 -12.962 0.488 -6.474 259 HA ILE 56 HA ILE 56 -10.165 0.948 -6.929 260 HB ILE 56 HB ILE 56 -10.667 0.570 -9.513 261 HG12 ILE 56 HG12 ILE 56 -11.802 -1.670 -9.749 262 HG13 ILE 56 HG11 ILE 56 -12.353 -1.489 -8.088 263 HG21 ILE 56 HG21 ILE 56 -9.386 -1.475 -9.380 264 HG22 ILE 56 HG22 ILE 56 -9.782 -1.641 -7.671 265 HG23 ILE 56 HG23 ILE 56 -8.769 -0.304 -8.215 266 HD11 ILE 56 HD11 ILE 56 -13.007 0.375 -10.356 267 HD12 ILE 56 HD12 ILE 56 -13.586 0.508 -8.695 268 HD13 ILE 56 HD13 ILE 56 -14.072 -0.862 -9.691 269 H GLY 57 HN GLY 57 -13.157 2.126 -6.711 270 HA2 GLY 57 HA2 GLY 57 -13.799 4.355 -6.983 271 HA3 GLY 57 HA1 GLY 57 -12.421 4.593 -8.050 272 HA PRO 58 HA PRO 58 -15.835 2.169 -10.703 273 HB2 PRO 58 HB2 PRO 58 -18.334 2.796 -9.564 274 HB3 PRO 58 HB1 PRO 58 -17.555 1.213 -9.593 275 HG2 PRO 58 HG2 PRO 58 -17.626 3.255 -7.430 276 HG3 PRO 58 HG1 PRO 58 -17.605 1.486 -7.310 277 HD2 PRO 58 HD2 PRO 58 -15.422 2.927 -6.776 278 HD3 PRO 58 HD1 PRO 58 -15.305 1.371 -7.628 279 H GLN 59 HN GLN 59 -15.605 3.591 -12.298 280 HA GLN 59 HA GLN 59 -17.023 6.165 -12.086 281 HB2 GLN 59 HB2 GLN 59 -14.586 6.440 -12.231 282 HB3 GLN 59 HB1 GLN 59 -14.565 5.507 -13.721 283 HG2 GLN 59 HG2 GLN 59 -15.865 7.208 -14.845 284 HG3 GLN 59 HG1 GLN 59 -15.998 8.127 -13.347 285 HE21 GLN 59 HE21 GLN 59 -15.019 9.928 -14.242 286 HE22 GLN 59 HE22 GLN 59 -13.326 9.989 -14.582 287 H ARG 60 HN ARG 60 -18.957 5.218 -12.869 288 HA ARG 60 HA ARG 60 -18.963 4.026 -15.513 289 HB2 ARG 60 HB2 ARG 60 -20.433 3.169 -13.708 290 HB3 ARG 60 HB1 ARG 60 -21.281 4.709 -13.694 291 HG2 ARG 60 HG2 ARG 60 -22.685 3.533 -15.028 292 HG3 ARG 60 HG1 ARG 60 -21.584 4.145 -16.262 293 HD2 ARG 60 HD2 ARG 60 -21.468 1.434 -14.947 294 HD3 ARG 60 HD1 ARG 60 -22.013 1.773 -16.589 295 HE ARG 60 HE ARG 60 -19.480 2.770 -16.508 296 HH11 ARG 60 HH11 ARG 60 -20.906 -0.326 -15.791 297 HH12 ARG 60 HH12 ARG 60 -19.502 -1.227 -16.255 298 HH21 ARG 60 HH21 ARG 60 -17.625 1.592 -17.126 299 HH22 ARG 60 HH22 ARG 60 -17.637 -0.136 -17.013 Start of MODEL 17 1 H1 ARG 28 HT1 ARG 28 25.723 3.738 -1.214 2 H2 ARG 28 HT2 ARG 28 24.696 3.949 -2.541 3 H3 ARG 28 HT3 ARG 28 26.288 3.431 -2.779 4 HA ARG 28 HA ARG 28 24.714 1.613 -3.012 5 HB2 ARG 28 HB2 ARG 28 26.978 1.124 -2.260 6 HB3 ARG 28 HB1 ARG 28 26.529 1.469 -0.596 7 HG2 ARG 28 HG2 ARG 28 26.621 -0.889 -0.842 8 HG3 ARG 28 HG1 ARG 28 24.920 -0.440 -0.718 9 HD2 ARG 28 HD2 ARG 28 26.317 -0.849 -3.352 10 HD3 ARG 28 HD1 ARG 28 25.509 -2.155 -2.488 11 HE ARG 28 HE ARG 28 23.703 -0.043 -2.738 12 HH11 ARG 28 HH11 ARG 28 25.392 -2.317 -4.767 13 HH12 ARG 28 HH12 ARG 28 24.163 -2.336 -5.987 14 HH21 ARG 28 HH21 ARG 28 22.080 -0.065 -4.339 15 HH22 ARG 28 HH22 ARG 28 22.281 -1.056 -5.745 16 H ARG 29 HN ARG 29 22.576 1.679 -2.627 17 HA ARG 29 HA ARG 29 21.609 2.012 0.110 18 HB2 ARG 29 HB2 ARG 29 20.567 3.318 -1.729 19 HB3 ARG 29 HB1 ARG 29 20.047 1.813 -2.472 20 HG2 ARG 29 HG2 ARG 29 18.198 2.760 -1.294 21 HG3 ARG 29 HG1 ARG 29 18.730 1.320 -0.426 22 HD2 ARG 29 HD2 ARG 29 19.986 2.746 1.135 23 HD3 ARG 29 HD1 ARG 29 19.403 4.174 0.281 24 HE ARG 29 HE ARG 29 17.272 2.498 1.179 25 HH11 ARG 29 HH11 ARG 29 19.524 4.963 2.175 26 HH12 ARG 29 HH12 ARG 29 18.523 5.537 3.465 27 HH21 ARG 29 HH21 ARG 29 15.946 3.250 2.877 28 HH22 ARG 29 HH22 ARG 29 16.491 4.565 3.864 29 H CYS 30 HN CYS 30 20.790 0.399 1.304 30 HA CYS 30 HA CYS 30 21.238 -2.281 0.648 31 HB2 CYS 30 HB2 CYS 30 19.346 -1.116 2.703 32 HB3 CYS 30 HB1 CYS 30 19.856 -2.800 2.638 33 HG CYS 30 HG CYS 30 21.804 -0.084 3.358 34 H LEU 31 HN LEU 31 20.227 -3.552 -0.734 35 HA LEU 31 HA LEU 31 17.877 -2.859 -2.100 36 HB2 LEU 31 HB2 LEU 31 17.943 -5.074 -3.054 37 HB3 LEU 31 HB1 LEU 31 19.564 -4.411 -2.989 38 HG LEU 31 HG LEU 31 18.571 -6.270 -0.847 39 HD11 LEU 31 HD11 LEU 31 18.219 -7.411 -2.972 40 HD12 LEU 31 HD12 LEU 31 19.571 -8.122 -2.090 41 HD13 LEU 31 HD13 LEU 31 19.876 -7.045 -3.452 42 HD21 LEU 31 HD21 LEU 31 21.306 -5.560 -1.901 43 HD22 LEU 31 HD22 LEU 31 20.980 -6.757 -0.649 44 HD23 LEU 31 HD23 LEU 31 20.608 -5.058 -0.362 45 H PHE 32 HN PHE 32 18.350 -4.365 0.955 46 HA PHE 32 HA PHE 32 15.732 -5.590 1.041 47 HB2 PHE 32 HB2 PHE 32 17.793 -5.195 3.222 48 HB3 PHE 32 HB1 PHE 32 16.327 -6.161 3.368 49 HD1 PHE 32 HD1 PHE 32 16.071 -8.208 1.961 50 HD2 PHE 32 HD2 PHE 32 19.738 -6.067 2.232 51 HE1 PHE 32 HE1 PHE 32 17.277 -10.171 1.095 52 HE2 PHE 32 HE2 PHE 32 20.951 -8.026 1.366 53 HZ PHE 32 HZ PHE 32 19.721 -10.080 0.795 54 H LEU 33 HN LEU 33 17.255 -2.629 2.097 55 HA LEU 33 HA LEU 33 15.051 -1.829 3.771 56 HB2 LEU 33 HB2 LEU 33 17.469 -0.338 2.778 57 HB3 LEU 33 HB1 LEU 33 16.274 0.346 3.863 58 HG LEU 33 HG LEU 33 18.075 -2.006 4.446 59 HD11 LEU 33 HD11 LEU 33 17.978 0.801 5.523 60 HD12 LEU 33 HD12 LEU 33 19.240 0.103 4.509 61 HD13 LEU 33 HD13 LEU 33 18.999 -0.491 6.152 62 HD21 LEU 33 HD21 LEU 33 15.946 -0.704 6.143 63 HD22 LEU 33 HD22 LEU 33 17.121 -1.886 6.720 64 HD23 LEU 33 HD23 LEU 33 15.926 -2.349 5.509 65 H SER 34 HN SER 34 15.912 -1.554 0.450 66 HA SER 34 HA SER 34 14.381 0.759 -0.177 67 HB2 SER 34 HB2 SER 34 15.308 -1.508 -1.960 68 HB3 SER 34 HB1 SER 34 14.655 0.031 -2.526 69 HG SER 34 HG SER 34 16.485 0.995 -2.052 70 H LEU 35 HN LEU 35 13.749 -2.723 -0.447 71 HA LEU 35 HA LEU 35 11.154 -2.469 -1.542 72 HB2 LEU 35 HB2 LEU 35 12.484 -4.516 -1.711 73 HB3 LEU 35 HB1 LEU 35 12.388 -4.736 0.025 74 HG LEU 35 HG LEU 35 9.792 -4.554 -1.370 75 HD11 LEU 35 HD11 LEU 35 9.904 -6.879 -2.142 76 HD12 LEU 35 HD12 LEU 35 11.619 -6.924 -1.735 77 HD13 LEU 35 HD13 LEU 35 11.042 -5.842 -3.003 78 HD21 LEU 35 HD21 LEU 35 9.227 -6.333 0.181 79 HD22 LEU 35 HD22 LEU 35 10.015 -5.008 1.038 80 HD23 LEU 35 HD23 LEU 35 10.916 -6.478 0.664 81 H PHE 36 HN PHE 36 12.351 -1.950 1.593 82 HA PHE 36 HA PHE 36 10.142 -2.713 3.163 83 HB2 PHE 36 HB2 PHE 36 12.319 -2.251 4.151 84 HB3 PHE 36 HB1 PHE 36 12.224 -0.570 3.640 85 HD1 PHE 36 HD1 PHE 36 10.585 -3.088 5.817 86 HD2 PHE 36 HD2 PHE 36 11.261 1.036 5.019 87 HE1 PHE 36 HE1 PHE 36 9.515 -2.502 7.955 88 HE2 PHE 36 HE2 PHE 36 10.194 1.630 7.154 89 HZ PHE 36 HZ PHE 36 9.318 -0.140 8.625 90 H SER 37 HN SER 37 10.644 -0.014 1.068 91 HA SER 37 HA SER 37 8.546 1.584 2.276 92 HB2 SER 37 HB2 SER 37 9.026 3.176 0.445 93 HB3 SER 37 HB1 SER 37 10.483 2.727 1.328 94 HG SER 37 HG SER 37 9.630 1.629 -1.148 95 H PHE 38 HN PHE 38 9.075 0.009 -0.876 96 HA PHE 38 HA PHE 38 6.628 0.530 -2.057 97 HB2 PHE 38 HB2 PHE 38 8.236 -2.020 -2.302 98 HB3 PHE 38 HB1 PHE 38 7.033 -1.437 -3.449 99 HD1 PHE 38 HD1 PHE 38 7.529 0.300 -5.011 100 HD2 PHE 38 HD2 PHE 38 10.415 -0.901 -2.124 101 HE1 PHE 38 HE1 PHE 38 9.266 1.529 -6.243 102 HE2 PHE 38 HE2 PHE 38 12.158 0.328 -3.350 103 HZ PHE 38 HZ PHE 38 11.585 1.546 -5.413 104 H LEU 39 HN LEU 39 7.540 -2.472 -0.433 105 HA LEU 39 HA LEU 39 5.232 -3.870 -0.473 106 HB2 LEU 39 HB2 LEU 39 7.541 -4.385 0.561 107 HB3 LEU 39 HB1 LEU 39 6.847 -3.749 2.041 108 HG LEU 39 HG LEU 39 5.012 -5.445 1.797 109 HD11 LEU 39 HD11 LEU 39 6.864 -6.571 -0.294 110 HD12 LEU 39 HD12 LEU 39 5.260 -5.896 -0.582 111 HD13 LEU 39 HD13 LEU 39 5.439 -7.375 0.364 112 HD21 LEU 39 HD21 LEU 39 6.870 -5.738 3.347 113 HD22 LEU 39 HD22 LEU 39 7.829 -6.477 2.066 114 HD23 LEU 39 HD23 LEU 39 6.375 -7.282 2.655 115 H ILE 40 HN ILE 40 6.077 -1.552 2.119 116 HA ILE 40 HA ILE 40 3.731 -1.862 3.602 117 HB ILE 40 HB ILE 40 5.494 0.576 3.358 118 HG12 ILE 40 HG12 ILE 40 5.408 -1.624 5.436 119 HG13 ILE 40 HG11 ILE 40 6.615 -1.482 4.163 120 HG21 ILE 40 HG21 ILE 40 3.404 -0.088 5.431 121 HG22 ILE 40 HG22 ILE 40 3.295 1.186 4.216 122 HG23 ILE 40 HG23 ILE 40 4.512 1.284 5.489 123 HD11 ILE 40 HD11 ILE 40 7.330 0.668 5.122 124 HD12 ILE 40 HD12 ILE 40 7.512 -0.679 6.245 125 HD13 ILE 40 HD13 ILE 40 6.166 0.445 6.428 126 H VAL 41 HN VAL 41 4.498 0.674 1.209 127 HA VAL 41 HA VAL 41 2.055 2.007 1.298 128 HB VAL 41 HB VAL 41 3.878 1.698 -1.091 129 HG11 VAL 41 HG11 VAL 41 1.725 3.718 -0.473 130 HG12 VAL 41 HG12 VAL 41 1.734 2.539 -1.786 131 HG13 VAL 41 HG13 VAL 41 2.892 3.870 -1.787 132 HG21 VAL 41 HG21 VAL 41 5.058 2.558 0.857 133 HG22 VAL 41 HG22 VAL 41 3.820 3.794 1.076 134 HG23 VAL 41 HG23 VAL 41 4.851 3.821 -0.356 135 H LEU 42 HN LEU 42 2.995 -0.846 -0.545 136 HA LEU 42 HA LEU 42 0.686 -0.867 -2.206 137 HB2 LEU 42 HB2 LEU 42 3.037 -2.084 -2.397 138 HB3 LEU 42 HB1 LEU 42 2.164 -3.382 -1.592 139 HG LEU 42 HG LEU 42 2.191 -3.686 -4.019 140 HD11 LEU 42 HD11 LEU 42 -0.194 -4.020 -4.368 141 HD12 LEU 42 HD12 LEU 42 -0.552 -2.993 -2.980 142 HD13 LEU 42 HD13 LEU 42 0.284 -4.528 -2.748 143 HD21 LEU 42 HD21 LEU 42 0.675 -1.081 -4.126 144 HD22 LEU 42 HD22 LEU 42 0.992 -2.154 -5.489 145 HD23 LEU 42 HD23 LEU 42 2.330 -1.338 -4.678 146 H LEU 43 HN LEU 43 1.625 -3.090 0.424 147 HA LEU 43 HA LEU 43 -0.795 -4.424 0.643 148 HB2 LEU 43 HB2 LEU 43 1.457 -3.920 2.541 149 HB3 LEU 43 HB1 LEU 43 0.000 -4.697 3.128 150 HG LEU 43 HG LEU 43 1.717 -6.337 2.547 151 HD11 LEU 43 HD11 LEU 43 0.361 -7.762 1.092 152 HD12 LEU 43 HD12 LEU 43 -0.646 -6.375 0.675 153 HD13 LEU 43 HD13 LEU 43 -0.616 -6.978 2.332 154 HD21 LEU 43 HD21 LEU 43 1.470 -5.236 -0.250 155 HD22 LEU 43 HD22 LEU 43 2.380 -6.672 0.215 156 HD23 LEU 43 HD23 LEU 43 2.874 -5.087 0.807 157 H LEU 44 HN LEU 44 0.019 -1.234 1.685 158 HA LEU 44 HA LEU 44 -2.104 -1.039 3.618 159 HB2 LEU 44 HB2 LEU 44 -0.397 0.359 4.213 160 HB3 LEU 44 HB1 LEU 44 0.020 0.738 2.554 161 HG LEU 44 HG LEU 44 -2.017 2.169 2.434 162 HD11 LEU 44 HD11 LEU 44 -2.105 1.672 5.406 163 HD12 LEU 44 HD12 LEU 44 -3.302 1.140 4.226 164 HD13 LEU 44 HD13 LEU 44 -3.072 2.861 4.532 165 HD21 LEU 44 HD21 LEU 44 0.179 3.134 2.820 166 HD22 LEU 44 HD22 LEU 44 0.007 2.867 4.555 167 HD23 LEU 44 HD23 LEU 44 -1.052 4.012 3.730 168 H THR 45 HN THR 45 -1.500 0.191 0.338 169 HA THR 45 HA THR 45 -3.876 1.663 0.079 170 HB THR 45 HB THR 45 -3.514 1.365 -2.412 171 HG1 THR 45 HG1 THR 45 -0.983 0.322 -1.833 172 HG21 THR 45 HG21 THR 45 -2.622 3.287 -1.233 173 HG22 THR 45 HG22 THR 45 -1.450 2.726 -2.426 174 HG23 THR 45 HG23 THR 45 -1.218 2.353 -0.719 175 H THR 46 HN THR 46 -3.304 -1.741 -0.072 176 HA THR 46 HA THR 46 -5.482 -2.502 -1.693 177 HB THR 46 HB THR 46 -4.200 -4.073 0.551 178 HG1 THR 46 HG1 THR 46 -3.593 -4.630 -2.098 179 HG21 THR 46 HG21 THR 46 -5.046 -6.041 -0.621 180 HG22 THR 46 HG22 THR 46 -5.807 -5.009 -1.831 181 HG23 THR 46 HG23 THR 46 -6.375 -4.976 -0.161 182 H LEU 47 HN LEU 47 -5.203 -2.612 1.867 183 HA LEU 47 HA LEU 47 -8.013 -3.063 2.194 184 HB2 LEU 47 HB2 LEU 47 -5.855 -2.389 4.192 185 HB3 LEU 47 HB1 LEU 47 -7.507 -2.777 4.624 186 HG LEU 47 HG LEU 47 -6.202 -4.727 4.994 187 HD11 LEU 47 HD11 LEU 47 -7.233 -6.350 3.516 188 HD12 LEU 47 HD12 LEU 47 -7.659 -5.071 2.379 189 HD13 LEU 47 HD13 LEU 47 -8.396 -5.108 3.981 190 HD21 LEU 47 HD21 LEU 47 -4.801 -5.761 3.309 191 HD22 LEU 47 HD22 LEU 47 -4.280 -4.101 3.598 192 HD23 LEU 47 HD23 LEU 47 -5.215 -4.493 2.155 193 H PHE 48 HN PHE 48 -6.022 -0.280 1.920 194 HA PHE 48 HA PHE 48 -7.769 1.497 3.350 195 HB2 PHE 48 HB2 PHE 48 -5.343 1.921 3.150 196 HB3 PHE 48 HB1 PHE 48 -5.537 2.137 1.413 197 HD1 PHE 48 HD1 PHE 48 -6.245 4.193 0.512 198 HD2 PHE 48 HD2 PHE 48 -6.436 3.531 4.711 199 HE1 PHE 48 HE1 PHE 48 -6.717 6.582 0.862 200 HE2 PHE 48 HE2 PHE 48 -6.909 5.919 5.071 201 HZ PHE 48 HZ PHE 48 -7.050 7.447 3.144 202 H CYS 49 HN CYS 49 -7.192 0.706 -0.050 203 HA CYS 49 HA CYS 49 -8.933 2.703 -1.078 204 HB2 CYS 49 HB2 CYS 49 -7.738 0.212 -2.279 205 HB3 CYS 49 HB1 CYS 49 -8.817 1.267 -3.187 206 HG CYS 49 HG CYS 49 -7.088 3.534 -2.742 207 H LEU 50 HN LEU 50 -9.325 -0.801 -0.587 208 HA LEU 50 HA LEU 50 -11.874 -1.128 -1.583 209 HB2 LEU 50 HB2 LEU 50 -10.651 -2.446 0.846 210 HB3 LEU 50 HB1 LEU 50 -12.088 -3.018 0.006 211 HG LEU 50 HG LEU 50 -9.391 -2.773 -1.324 212 HD11 LEU 50 HD11 LEU 50 -10.656 -5.194 -0.049 213 HD12 LEU 50 HD12 LEU 50 -9.218 -4.346 0.524 214 HD13 LEU 50 HD13 LEU 50 -9.187 -5.192 -1.024 215 HD21 LEU 50 HD21 LEU 50 -11.914 -4.245 -2.074 216 HD22 LEU 50 HD22 LEU 50 -10.392 -4.294 -2.964 217 HD23 LEU 50 HD23 LEU 50 -11.292 -2.783 -2.841 218 H LEU 51 HN LEU 51 -10.879 0.115 1.556 219 HA LEU 51 HA LEU 51 -13.575 0.311 2.551 220 HB2 LEU 51 HB2 LEU 51 -10.968 1.411 3.597 221 HB3 LEU 51 HB1 LEU 51 -12.500 1.510 4.447 222 HG LEU 51 HG LEU 51 -11.102 -1.065 3.713 223 HD11 LEU 51 HD11 LEU 51 -9.860 0.194 5.393 224 HD12 LEU 51 HD12 LEU 51 -10.602 -1.244 6.092 225 HD13 LEU 51 HD13 LEU 51 -11.321 0.342 6.370 226 HD21 LEU 51 HD21 LEU 51 -13.519 -1.309 3.836 227 HD22 LEU 51 HD22 LEU 51 -13.532 -0.525 5.417 228 HD23 LEU 51 HD23 LEU 51 -12.747 -2.092 5.216 229 H HIS 52 HN HIS 52 -11.232 2.436 1.039 230 HA HIS 52 HA HIS 52 -12.459 4.894 1.614 231 HB2 HIS 52 HB2 HIS 52 -10.169 4.733 0.771 232 HB3 HIS 52 HB1 HIS 52 -10.763 4.117 -0.767 233 HD1 HIS 52 HD1 HIS 52 -11.071 5.829 -2.528 234 HD2 HIS 52 HD2 HIS 52 -11.196 7.488 1.279 235 HE1 HIS 52 HE1 HIS 52 -11.256 8.311 -2.882 236 HE2 HIS 52 HE2 HIS 52 -11.287 9.299 -0.565 237 H PHE 53 HN PHE 53 -12.597 3.037 -1.441 238 HA PHE 53 HA PHE 53 -14.741 4.659 -2.438 239 HB2 PHE 53 HB2 PHE 53 -13.579 2.067 -3.476 240 HB3 PHE 53 HB1 PHE 53 -14.743 3.067 -4.338 241 HD1 PHE 53 HD1 PHE 53 -11.282 2.839 -3.138 242 HD2 PHE 53 HD2 PHE 53 -14.078 5.086 -5.426 243 HE1 PHE 53 HE1 PHE 53 -9.434 4.148 -4.105 244 HE2 PHE 53 HE2 PHE 53 -12.237 6.398 -6.398 245 HZ PHE 53 HZ PHE 53 -9.912 5.929 -5.737 246 H GLY 54 HN GLY 54 -14.497 1.668 -0.681 247 HA2 GLY 54 HA2 GLY 54 -16.106 0.329 0.261 248 HA3 GLY 54 HA1 GLY 54 -17.228 1.658 0.014 249 H VAL 55 HN VAL 55 -15.778 0.744 -2.879 250 HA VAL 55 HA VAL 55 -18.142 -0.023 -4.114 251 HB VAL 55 HB VAL 55 -16.335 0.726 -5.466 252 HG11 VAL 55 HG11 VAL 55 -14.452 0.083 -4.148 253 HG12 VAL 55 HG12 VAL 55 -14.267 -0.619 -5.755 254 HG13 VAL 55 HG13 VAL 55 -14.792 -1.625 -4.409 255 HG21 VAL 55 HG21 VAL 55 -16.193 -1.014 -7.175 256 HG22 VAL 55 HG22 VAL 55 -17.831 -0.876 -6.536 257 HG23 VAL 55 HG23 VAL 55 -16.791 -2.202 -6.018 258 H ILE 56 HN ILE 56 -15.610 -2.042 -2.705 259 HA ILE 56 HA ILE 56 -17.500 -4.173 -2.291 260 HB ILE 56 HB ILE 56 -15.597 -5.746 -3.399 261 HG12 ILE 56 HG12 ILE 56 -15.234 -4.777 -5.720 262 HG13 ILE 56 HG11 ILE 56 -15.733 -3.226 -5.058 263 HG21 ILE 56 HG21 ILE 56 -17.972 -4.593 -4.850 264 HG22 ILE 56 HG22 ILE 56 -18.027 -5.907 -3.675 265 HG23 ILE 56 HG23 ILE 56 -17.172 -6.124 -5.203 266 HD11 ILE 56 HD11 ILE 56 -13.317 -3.419 -5.161 267 HD12 ILE 56 HD12 ILE 56 -13.378 -4.854 -4.136 268 HD13 ILE 56 HD13 ILE 56 -13.874 -3.286 -3.493 269 H GLY 57 HN GLY 57 -17.059 -4.003 -0.133 270 HA2 GLY 57 HA2 GLY 57 -15.421 -5.571 1.209 271 HA3 GLY 57 HA1 GLY 57 -14.297 -4.292 0.777 272 HA PRO 58 HA PRO 58 -17.553 -2.234 3.705 273 HB2 PRO 58 HB2 PRO 58 -19.236 -3.890 5.037 274 HB3 PRO 58 HB1 PRO 58 -19.634 -3.182 3.467 275 HG2 PRO 58 HG2 PRO 58 -18.594 -5.917 4.104 276 HG3 PRO 58 HG1 PRO 58 -19.871 -5.442 2.969 277 HD2 PRO 58 HD2 PRO 58 -17.354 -6.025 2.164 278 HD3 PRO 58 HD1 PRO 58 -18.365 -4.824 1.336 279 H GLN 59 HN GLN 59 -16.792 -5.530 4.769 280 HA GLN 59 HA GLN 59 -15.796 -6.347 6.649 281 HB2 GLN 59 HB2 GLN 59 -14.210 -3.782 6.456 282 HB3 GLN 59 HB1 GLN 59 -13.727 -5.238 7.315 283 HG2 GLN 59 HG2 GLN 59 -14.090 -4.951 4.341 284 HG3 GLN 59 HG1 GLN 59 -12.560 -5.071 5.209 285 HE21 GLN 59 HE21 GLN 59 -11.918 -7.050 6.049 286 HE22 GLN 59 HE22 GLN 59 -12.645 -8.538 5.559 287 H ARG 60 HN ARG 60 -18.147 -5.377 7.350 288 HA ARG 60 HA ARG 60 -17.871 -3.424 9.480 289 HB2 ARG 60 HB2 ARG 60 -19.839 -3.359 8.002 290 HB3 ARG 60 HB1 ARG 60 -20.293 -4.971 8.538 291 HG2 ARG 60 HG2 ARG 60 -20.673 -4.167 10.779 292 HG3 ARG 60 HG1 ARG 60 -20.097 -2.560 10.330 293 HD2 ARG 60 HD2 ARG 60 -22.523 -3.952 9.202 294 HD3 ARG 60 HD1 ARG 60 -22.539 -2.649 10.389 295 HE ARG 60 HE ARG 60 -21.129 -1.744 8.167 296 HH11 ARG 60 HH11 ARG 60 -24.372 -2.735 8.974 297 HH12 ARG 60 HH12 ARG 60 -25.114 -1.711 7.791 298 HH21 ARG 60 HH21 ARG 60 -22.100 -0.394 6.611 299 HH22 ARG 60 HH22 ARG 60 -23.824 -0.382 6.448 Start of MODEL 18 1 H1 ARG 28 HT1 ARG 28 20.508 8.578 6.053 2 H2 ARG 28 HT2 ARG 28 19.518 7.313 6.580 3 H3 ARG 28 HT3 ARG 28 19.485 7.793 4.958 4 HA ARG 28 HA ARG 28 21.816 7.119 4.725 5 HB2 ARG 28 HB2 ARG 28 21.337 6.270 7.572 6 HB3 ARG 28 HB1 ARG 28 22.538 5.458 6.579 7 HG2 ARG 28 HG2 ARG 28 23.664 7.101 7.863 8 HG3 ARG 28 HG1 ARG 28 23.613 7.680 6.197 9 HD2 ARG 28 HD2 ARG 28 23.115 9.450 7.838 10 HD3 ARG 28 HD1 ARG 28 21.780 9.159 6.726 11 HE ARG 28 HE ARG 28 21.606 7.713 9.215 12 HH11 ARG 28 HH11 ARG 28 20.818 10.643 7.506 13 HH12 ARG 28 HH12 ARG 28 19.507 11.058 8.557 14 HH21 ARG 28 HH21 ARG 28 19.875 8.247 10.604 15 HH22 ARG 28 HH22 ARG 28 18.969 9.696 10.318 16 H ARG 29 HN ARG 29 18.793 6.245 4.736 17 HA ARG 29 HA ARG 29 18.687 3.455 4.811 18 HB2 ARG 29 HB2 ARG 29 16.672 3.685 3.380 19 HB3 ARG 29 HB1 ARG 29 16.663 4.768 4.765 20 HG2 ARG 29 HG2 ARG 29 17.320 6.624 3.355 21 HG3 ARG 29 HG1 ARG 29 17.427 5.550 1.959 22 HD2 ARG 29 HD2 ARG 29 15.036 5.056 2.165 23 HD3 ARG 29 HD1 ARG 29 14.934 6.139 3.552 24 HE ARG 29 HE ARG 29 15.929 7.730 1.608 25 HH11 ARG 29 HH11 ARG 29 13.176 5.599 1.761 26 HH12 ARG 29 HH12 ARG 29 12.224 6.540 0.663 27 HH21 ARG 29 HH21 ARG 29 14.680 8.978 0.163 28 HH22 ARG 29 HH22 ARG 29 13.079 8.460 -0.247 29 H CYS 30 HN CYS 30 19.028 1.856 3.326 30 HA CYS 30 HA CYS 30 20.552 2.640 0.942 31 HB2 CYS 30 HB2 CYS 30 21.398 0.332 0.941 32 HB3 CYS 30 HB1 CYS 30 21.714 1.131 2.476 33 HG CYS 30 HG CYS 30 21.090 -1.342 3.307 34 H LEU 31 HN LEU 31 20.337 0.601 -0.730 35 HA LEU 31 HA LEU 31 17.866 0.967 -1.989 36 HB2 LEU 31 HB2 LEU 31 19.867 -1.267 -2.336 37 HB3 LEU 31 HB1 LEU 31 18.547 -0.924 -3.436 38 HG LEU 31 HG LEU 31 20.793 1.002 -2.840 39 HD11 LEU 31 HD11 LEU 31 21.640 0.401 -5.059 40 HD12 LEU 31 HD12 LEU 31 20.403 -0.849 -5.188 41 HD13 LEU 31 HD13 LEU 31 21.658 -0.974 -3.955 42 HD21 LEU 31 HD21 LEU 31 19.962 2.188 -4.802 43 HD22 LEU 31 HD22 LEU 31 18.712 2.065 -3.563 44 HD23 LEU 31 HD23 LEU 31 18.661 1.009 -4.974 45 H PHE 32 HN PHE 32 19.069 -1.763 -0.063 46 HA PHE 32 HA PHE 32 16.861 -3.443 -0.327 47 HB2 PHE 32 HB2 PHE 32 18.619 -3.181 2.119 48 HB3 PHE 32 HB1 PHE 32 17.676 -4.589 1.642 49 HD1 PHE 32 HD1 PHE 32 18.268 -5.664 -0.625 50 HD2 PHE 32 HD2 PHE 32 20.834 -2.996 1.474 51 HE1 PHE 32 HE1 PHE 32 20.194 -6.527 -1.891 52 HE2 PHE 32 HE2 PHE 32 22.765 -3.853 0.211 53 HZ PHE 32 HZ PHE 32 22.445 -5.620 -1.474 54 H LEU 33 HN LEU 33 17.503 -0.896 2.054 55 HA LEU 33 HA LEU 33 15.183 -1.332 3.603 56 HB2 LEU 33 HB2 LEU 33 16.889 1.122 3.250 57 HB3 LEU 33 HB1 LEU 33 15.598 0.988 4.428 58 HG LEU 33 HG LEU 33 18.126 -0.658 4.351 59 HD11 LEU 33 HD11 LEU 33 17.123 1.432 6.268 60 HD12 LEU 33 HD12 LEU 33 18.469 1.602 5.143 61 HD13 LEU 33 HD13 LEU 33 18.580 0.464 6.484 62 HD21 LEU 33 HD21 LEU 33 17.319 -1.603 6.483 63 HD22 LEU 33 HD22 LEU 33 16.291 -2.039 5.118 64 HD23 LEU 33 HD23 LEU 33 15.777 -0.782 6.241 65 H SER 34 HN SER 34 15.789 0.462 0.675 66 HA SER 34 HA SER 34 13.401 2.015 0.732 67 HB2 SER 34 HB2 SER 34 15.169 1.243 -1.602 68 HB3 SER 34 HB1 SER 34 13.906 2.473 -1.644 69 HG SER 34 HG SER 34 15.103 3.773 -0.399 70 H LEU 35 HN LEU 35 14.289 -1.106 -0.637 71 HA LEU 35 HA LEU 35 11.899 -1.512 -2.108 72 HB2 LEU 35 HB2 LEU 35 13.981 -2.740 -2.551 73 HB3 LEU 35 HB1 LEU 35 13.848 -3.531 -0.991 74 HG LEU 35 HG LEU 35 11.535 -3.854 -2.810 75 HD11 LEU 35 HD11 LEU 35 13.385 -4.048 -4.379 76 HD12 LEU 35 HD12 LEU 35 12.641 -5.620 -4.085 77 HD13 LEU 35 HD13 LEU 35 14.177 -5.214 -3.319 78 HD21 LEU 35 HD21 LEU 35 11.606 -4.923 -0.622 79 HD22 LEU 35 HD22 LEU 35 13.110 -5.736 -1.055 80 HD23 LEU 35 HD23 LEU 35 11.617 -6.129 -1.909 81 H PHE 36 HN PHE 36 12.731 -1.841 1.221 82 HA PHE 36 HA PHE 36 10.644 -3.660 1.937 83 HB2 PHE 36 HB2 PHE 36 12.904 -2.697 3.183 84 HB3 PHE 36 HB1 PHE 36 11.612 -1.882 4.056 85 HD1 PHE 36 HD1 PHE 36 13.509 -4.847 3.761 86 HD2 PHE 36 HD2 PHE 36 9.686 -3.379 4.920 87 HE1 PHE 36 HE1 PHE 36 13.132 -6.885 5.089 88 HE2 PHE 36 HE2 PHE 36 9.304 -5.413 6.250 89 HZ PHE 36 HZ PHE 36 11.028 -7.169 6.336 90 H SER 37 HN SER 37 10.643 -0.433 1.036 91 HA SER 37 HA SER 37 8.418 0.354 2.732 92 HB2 SER 37 HB2 SER 37 9.824 1.867 0.519 93 HB3 SER 37 HB1 SER 37 8.613 2.536 1.613 94 HG SER 37 HG SER 37 10.299 1.553 3.235 95 H PHE 38 HN PHE 38 9.019 -0.646 -0.569 96 HA PHE 38 HA PHE 38 6.556 0.171 -1.681 97 HB2 PHE 38 HB2 PHE 38 8.447 -2.042 -2.469 98 HB3 PHE 38 HB1 PHE 38 7.049 -1.572 -3.424 99 HD1 PHE 38 HD1 PHE 38 7.046 0.442 -4.721 100 HD2 PHE 38 HD2 PHE 38 10.364 -0.540 -2.243 101 HE1 PHE 38 HE1 PHE 38 8.389 2.174 -5.838 102 HE2 PHE 38 HE2 PHE 38 11.713 1.192 -3.355 103 HZ PHE 38 HZ PHE 38 10.715 2.550 -5.169 104 H LEU 39 HN LEU 39 7.490 -2.591 0.222 105 HA LEU 39 HA LEU 39 5.186 -4.164 -0.386 106 HB2 LEU 39 HB2 LEU 39 7.431 -4.964 0.542 107 HB3 LEU 39 HB1 LEU 39 6.865 -4.394 2.101 108 HG LEU 39 HG LEU 39 5.138 -6.266 0.569 109 HD11 LEU 39 HD11 LEU 39 7.542 -7.136 2.168 110 HD12 LEU 39 HD12 LEU 39 7.375 -7.259 0.417 111 HD13 LEU 39 HD13 LEU 39 6.315 -8.194 1.471 112 HD21 LEU 39 HD21 LEU 39 4.557 -7.035 2.809 113 HD22 LEU 39 HD22 LEU 39 4.357 -5.288 2.673 114 HD23 LEU 39 HD23 LEU 39 5.763 -5.952 3.503 115 H ILE 40 HN ILE 40 5.994 -1.719 1.956 116 HA ILE 40 HA ILE 40 3.693 -2.158 3.617 117 HB ILE 40 HB ILE 40 5.440 0.301 3.494 118 HG12 ILE 40 HG12 ILE 40 5.752 -2.110 5.296 119 HG13 ILE 40 HG11 ILE 40 6.728 -1.822 3.858 120 HG21 ILE 40 HG21 ILE 40 3.672 -0.800 5.676 121 HG22 ILE 40 HG22 ILE 40 3.339 0.618 4.681 122 HG23 ILE 40 HG23 ILE 40 4.696 0.629 5.806 123 HD11 ILE 40 HD11 ILE 40 7.581 0.236 4.848 124 HD12 ILE 40 HD12 ILE 40 7.903 -1.162 5.876 125 HD13 ILE 40 HD13 ILE 40 6.599 -0.048 6.285 126 H VAL 41 HN VAL 41 4.537 -0.039 0.936 127 HA VAL 41 HA VAL 41 2.247 1.636 1.178 128 HB VAL 41 HB VAL 41 4.417 2.218 -0.015 129 HG11 VAL 41 HG11 VAL 41 4.626 0.244 -1.383 130 HG12 VAL 41 HG12 VAL 41 4.508 1.675 -2.406 131 HG13 VAL 41 HG13 VAL 41 3.111 0.617 -2.201 132 HG21 VAL 41 HG21 VAL 41 3.271 3.646 -1.651 133 HG22 VAL 41 HG22 VAL 41 2.454 3.650 -0.087 134 HG23 VAL 41 HG23 VAL 41 1.795 2.707 -1.424 135 H LEU 42 HN LEU 42 2.934 -1.355 -0.513 136 HA LEU 42 HA LEU 42 0.539 -1.253 -2.107 137 HB2 LEU 42 HB2 LEU 42 2.503 -3.477 -1.558 138 HB3 LEU 42 HB1 LEU 42 1.127 -3.633 -2.642 139 HG LEU 42 HG LEU 42 3.385 -1.657 -3.004 140 HD11 LEU 42 HD11 LEU 42 4.171 -3.941 -3.280 141 HD12 LEU 42 HD12 LEU 42 4.097 -3.116 -4.836 142 HD13 LEU 42 HD13 LEU 42 2.846 -4.278 -4.394 143 HD21 LEU 42 HD21 LEU 42 2.426 -1.371 -5.247 144 HD22 LEU 42 HD22 LEU 42 1.297 -0.890 -3.980 145 HD23 LEU 42 HD23 LEU 42 1.092 -2.437 -4.804 146 H LEU 43 HN LEU 43 1.599 -3.033 0.777 147 HA LEU 43 HA LEU 43 -0.671 -4.605 1.145 148 HB2 LEU 43 HB2 LEU 43 1.610 -4.583 2.386 149 HB3 LEU 43 HB1 LEU 43 0.852 -3.413 3.445 150 HG LEU 43 HG LEU 43 0.840 -5.748 4.314 151 HD11 LEU 43 HD11 LEU 43 -1.919 -4.653 3.816 152 HD12 LEU 43 HD12 LEU 43 -0.804 -4.047 5.040 153 HD13 LEU 43 HD13 LEU 43 -1.408 -5.700 5.139 154 HD21 LEU 43 HD21 LEU 43 -1.119 -6.249 2.078 155 HD22 LEU 43 HD22 LEU 43 -0.690 -7.374 3.366 156 HD23 LEU 43 HD23 LEU 43 0.518 -6.898 2.174 157 H LEU 44 HN LEU 44 0.002 -1.297 2.197 158 HA LEU 44 HA LEU 44 -2.363 -0.990 3.732 159 HB2 LEU 44 HB2 LEU 44 -0.509 1.027 2.481 160 HB3 LEU 44 HB1 LEU 44 -1.859 1.467 3.507 161 HG LEU 44 HG LEU 44 0.490 -0.227 4.361 162 HD11 LEU 44 HD11 LEU 44 1.125 2.091 3.961 163 HD12 LEU 44 HD12 LEU 44 1.133 1.723 5.685 164 HD13 LEU 44 HD13 LEU 44 -0.200 2.640 4.986 165 HD21 LEU 44 HD21 LEU 44 -1.818 0.904 5.939 166 HD22 LEU 44 HD22 LEU 44 -0.425 0.061 6.615 167 HD23 LEU 44 HD23 LEU 44 -1.550 -0.797 5.562 168 H THR 45 HN THR 45 -1.513 0.145 0.457 169 HA THR 45 HA THR 45 -3.846 1.466 -0.175 170 HB THR 45 HB THR 45 -3.360 0.807 -2.578 171 HG1 THR 45 HG1 THR 45 -0.855 -0.052 -2.077 172 HG21 THR 45 HG21 THR 45 -1.149 2.012 -0.911 173 HG22 THR 45 HG22 THR 45 -2.511 2.873 -1.630 174 HG23 THR 45 HG23 THR 45 -1.283 2.142 -2.665 175 H THR 46 HN THR 46 -3.361 -1.960 0.106 176 HA THR 46 HA THR 46 -5.478 -2.864 -1.505 177 HB THR 46 HB THR 46 -4.415 -4.148 1.019 178 HG1 THR 46 HG1 THR 46 -2.753 -3.889 -0.485 179 HG21 THR 46 HG21 THR 46 -5.290 -6.221 0.118 180 HG22 THR 46 HG22 THR 46 -5.867 -5.384 -1.324 181 HG23 THR 46 HG23 THR 46 -6.596 -5.040 0.246 182 H LEU 47 HN LEU 47 -5.412 -2.496 2.045 183 HA LEU 47 HA LEU 47 -8.279 -2.705 2.208 184 HB2 LEU 47 HB2 LEU 47 -6.183 -2.079 4.287 185 HB3 LEU 47 HB1 LEU 47 -7.891 -2.246 4.641 186 HG LEU 47 HG LEU 47 -6.827 -4.284 5.257 187 HD11 LEU 47 HD11 LEU 47 -7.955 -5.915 3.843 188 HD12 LEU 47 HD12 LEU 47 -8.209 -4.682 2.609 189 HD13 LEU 47 HD13 LEU 47 -8.998 -4.533 4.179 190 HD21 LEU 47 HD21 LEU 47 -5.465 -5.608 3.769 191 HD22 LEU 47 HD22 LEU 47 -4.788 -3.985 3.901 192 HD23 LEU 47 HD23 LEU 47 -5.702 -4.447 2.465 193 H PHE 48 HN PHE 48 -5.999 -0.182 1.830 194 HA PHE 48 HA PHE 48 -7.545 1.916 3.004 195 HB2 PHE 48 HB2 PHE 48 -5.113 2.097 2.793 196 HB3 PHE 48 HB1 PHE 48 -5.245 2.036 1.040 197 HD1 PHE 48 HD1 PHE 48 -5.941 3.952 -0.221 198 HD2 PHE 48 HD2 PHE 48 -5.813 4.077 4.030 199 HE1 PHE 48 HE1 PHE 48 -6.147 6.403 -0.290 200 HE2 PHE 48 HE2 PHE 48 -6.020 6.527 3.969 201 HZ PHE 48 HZ PHE 48 -6.193 7.693 1.812 202 H CYS 49 HN CYS 49 -7.308 0.488 -0.185 203 HA CYS 49 HA CYS 49 -8.817 2.583 -1.464 204 HB2 CYS 49 HB2 CYS 49 -7.139 1.318 -2.724 205 HB3 CYS 49 HB1 CYS 49 -8.044 -0.167 -2.456 206 HG CYS 49 HG CYS 49 -9.217 2.505 -4.246 207 H LEU 50 HN LEU 50 -9.458 -0.590 -0.114 208 HA LEU 50 HA LEU 50 -12.065 -0.914 -1.159 209 HB2 LEU 50 HB2 LEU 50 -10.874 -2.051 1.376 210 HB3 LEU 50 HB1 LEU 50 -12.332 -2.628 0.574 211 HG LEU 50 HG LEU 50 -9.633 -2.634 -0.768 212 HD11 LEU 50 HD11 LEU 50 -9.673 -3.988 1.353 213 HD12 LEU 50 HD12 LEU 50 -9.309 -4.886 -0.120 214 HD13 LEU 50 HD13 LEU 50 -10.919 -4.984 0.599 215 HD21 LEU 50 HD21 LEU 50 -11.509 -2.765 -2.280 216 HD22 LEU 50 HD22 LEU 50 -12.227 -4.063 -1.326 217 HD23 LEU 50 HD23 LEU 50 -10.714 -4.337 -2.189 218 H LEU 51 HN LEU 51 -10.796 0.742 1.647 219 HA LEU 51 HA LEU 51 -13.382 1.174 2.842 220 HB2 LEU 51 HB2 LEU 51 -10.655 2.320 3.434 221 HB3 LEU 51 HB1 LEU 51 -12.094 2.708 4.360 222 HG LEU 51 HG LEU 51 -10.949 -0.072 4.072 223 HD11 LEU 51 HD11 LEU 51 -10.201 0.212 6.386 224 HD12 LEU 51 HD12 LEU 51 -10.737 1.892 6.351 225 HD13 LEU 51 HD13 LEU 51 -9.420 1.364 5.303 226 HD21 LEU 51 HD21 LEU 51 -13.355 -0.028 4.494 227 HD22 LEU 51 HD22 LEU 51 -13.097 1.029 5.882 228 HD23 LEU 51 HD23 LEU 51 -12.472 -0.620 5.901 229 H HIS 52 HN HIS 52 -11.263 2.861 0.653 230 HA HIS 52 HA HIS 52 -12.495 5.421 0.904 231 HB2 HIS 52 HB2 HIS 52 -10.196 5.139 0.064 232 HB3 HIS 52 HB1 HIS 52 -10.820 4.301 -1.353 233 HD1 HIS 52 HD1 HIS 52 -11.950 5.739 -3.180 234 HD2 HIS 52 HD2 HIS 52 -10.484 7.924 0.037 235 HE1 HIS 52 HE1 HIS 52 -11.992 8.142 -3.923 236 HE2 HIS 52 HE2 HIS 52 -11.018 9.435 -1.993 237 H PHE 53 HN PHE 53 -12.952 2.656 -1.239 238 HA PHE 53 HA PHE 53 -15.030 4.082 -2.711 239 HB2 PHE 53 HB2 PHE 53 -13.664 1.427 -3.118 240 HB3 PHE 53 HB1 PHE 53 -15.093 1.891 -4.038 241 HD1 PHE 53 HD1 PHE 53 -14.843 3.054 -6.012 242 HD2 PHE 53 HD2 PHE 53 -11.683 3.110 -3.164 243 HE1 PHE 53 HE1 PHE 53 -13.423 4.258 -7.618 244 HE2 PHE 53 HE2 PHE 53 -10.256 4.317 -4.764 245 HZ PHE 53 HZ PHE 53 -11.125 4.892 -6.995 246 H GLY 54 HN GLY 54 -14.675 1.791 -0.176 247 HA2 GLY 54 HA2 GLY 54 -16.245 0.855 1.220 248 HA3 GLY 54 HA1 GLY 54 -17.460 1.827 0.407 249 H VAL 55 HN VAL 55 -15.610 -0.104 -1.693 250 HA VAL 55 HA VAL 55 -17.830 -1.572 -2.585 251 HB VAL 55 HB VAL 55 -15.753 -3.101 -3.466 252 HG11 VAL 55 HG11 VAL 55 -15.885 -1.757 -5.518 253 HG12 VAL 55 HG12 VAL 55 -16.749 -0.502 -4.629 254 HG13 VAL 55 HG13 VAL 55 -17.479 -2.092 -4.843 255 HG21 VAL 55 HG21 VAL 55 -13.890 -1.658 -4.011 256 HG22 VAL 55 HG22 VAL 55 -14.123 -1.676 -2.264 257 HG23 VAL 55 HG23 VAL 55 -14.671 -0.296 -3.212 258 H ILE 56 HN ILE 56 -14.914 -3.168 -1.377 259 HA ILE 56 HA ILE 56 -16.523 -4.763 0.461 260 HB ILE 56 HB ILE 56 -15.242 -6.832 -0.410 261 HG12 ILE 56 HG12 ILE 56 -15.345 -6.064 -3.140 262 HG13 ILE 56 HG11 ILE 56 -14.395 -4.846 -2.295 263 HG21 ILE 56 HG21 ILE 56 -17.037 -7.313 -2.014 264 HG22 ILE 56 HG22 ILE 56 -17.494 -5.610 -1.997 265 HG23 ILE 56 HG23 ILE 56 -17.651 -6.580 -0.532 266 HD11 ILE 56 HD11 ILE 56 -12.913 -6.560 -1.443 267 HD12 ILE 56 HD12 ILE 56 -13.013 -6.646 -3.201 268 HD13 ILE 56 HD13 ILE 56 -13.890 -7.811 -2.209 269 H GLY 57 HN GLY 57 -15.454 -3.894 2.206 270 HA2 GLY 57 HA2 GLY 57 -12.642 -4.734 2.478 271 HA3 GLY 57 HA1 GLY 57 -13.125 -3.103 2.919 272 HA PRO 58 HA PRO 58 -14.188 -4.213 7.037 273 HB2 PRO 58 HB2 PRO 58 -17.011 -3.405 6.588 274 HB3 PRO 58 HB1 PRO 58 -15.860 -2.843 7.804 275 HG2 PRO 58 HG2 PRO 58 -16.500 -1.307 5.723 276 HG3 PRO 58 HG1 PRO 58 -14.839 -1.359 6.345 277 HD2 PRO 58 HD2 PRO 58 -15.995 -2.654 3.912 278 HD3 PRO 58 HD1 PRO 58 -14.400 -1.909 4.145 279 H GLN 59 HN GLN 59 -16.419 -5.294 4.552 280 HA GLN 59 HA GLN 59 -17.694 -7.168 4.316 281 HB2 GLN 59 HB2 GLN 59 -15.554 -8.314 6.120 282 HB3 GLN 59 HB1 GLN 59 -16.719 -9.267 5.212 283 HG2 GLN 59 HG2 GLN 59 -14.615 -7.456 4.050 284 HG3 GLN 59 HG1 GLN 59 -14.571 -9.217 4.096 285 HE21 GLN 59 HE21 GLN 59 -14.457 -7.447 1.807 286 HE22 GLN 59 HE22 GLN 59 -15.793 -7.868 0.795 287 H ARG 60 HN ARG 60 -19.458 -6.193 5.460 288 HA ARG 60 HA ARG 60 -19.790 -6.680 8.274 289 HB2 ARG 60 HB2 ARG 60 -20.727 -4.681 7.133 290 HB3 ARG 60 HB1 ARG 60 -21.822 -5.731 6.245 291 HG2 ARG 60 HG2 ARG 60 -23.053 -4.804 8.036 292 HG3 ARG 60 HG1 ARG 60 -22.736 -6.489 8.453 293 HD2 ARG 60 HD2 ARG 60 -20.850 -5.772 9.855 294 HD3 ARG 60 HD1 ARG 60 -21.203 -4.092 9.456 295 HE ARG 60 HE ARG 60 -23.415 -5.530 10.620 296 HH11 ARG 60 HH11 ARG 60 -20.592 -3.583 11.242 297 HH12 ARG 60 HH12 ARG 60 -21.145 -3.047 12.793 298 HH21 ARG 60 HH21 ARG 60 -24.152 -4.829 12.657 299 HH22 ARG 60 HH22 ARG 60 -23.170 -3.757 13.599 Start of MODEL 19 1 H1 ARG 28 HT1 ARG 28 20.127 1.106 -10.662 2 H2 ARG 28 HT2 ARG 28 19.619 2.149 -11.893 3 H3 ARG 28 HT3 ARG 28 18.543 1.703 -10.667 4 HA ARG 28 HA ARG 28 21.015 3.288 -10.282 5 HB2 ARG 28 HB2 ARG 28 19.271 4.524 -11.506 6 HB3 ARG 28 HB1 ARG 28 18.114 4.147 -10.237 7 HG2 ARG 28 HG2 ARG 28 18.889 6.396 -9.956 8 HG3 ARG 28 HG1 ARG 28 19.512 5.405 -8.637 9 HD2 ARG 28 HD2 ARG 28 21.663 5.224 -9.784 10 HD3 ARG 28 HD1 ARG 28 21.039 6.199 -11.115 11 HE ARG 28 HE ARG 28 20.670 7.787 -8.955 12 HH11 ARG 28 HH11 ARG 28 23.427 6.059 -10.207 13 HH12 ARG 28 HH12 ARG 28 24.577 7.212 -9.619 14 HH21 ARG 28 HH21 ARG 28 22.176 9.310 -8.182 15 HH22 ARG 28 HH22 ARG 28 23.866 9.064 -8.470 16 H ARG 29 HN ARG 29 17.846 2.587 -8.800 17 HA ARG 29 HA ARG 29 19.178 2.531 -6.179 18 HB2 ARG 29 HB2 ARG 29 17.327 4.170 -6.496 19 HB3 ARG 29 HB1 ARG 29 16.232 2.828 -6.792 20 HG2 ARG 29 HG2 ARG 29 15.881 3.419 -4.559 21 HG3 ARG 29 HG1 ARG 29 16.896 1.979 -4.491 22 HD2 ARG 29 HD2 ARG 29 17.983 4.785 -4.366 23 HD3 ARG 29 HD1 ARG 29 17.546 3.852 -2.935 24 HE ARG 29 HE ARG 29 19.234 2.178 -4.111 25 HH11 ARG 29 HH11 ARG 29 19.478 5.622 -3.628 26 HH12 ARG 29 HH12 ARG 29 21.207 5.613 -3.518 27 HH21 ARG 29 HH21 ARG 29 21.510 2.158 -3.961 28 HH22 ARG 29 HH22 ARG 29 22.361 3.644 -3.705 29 H CYS 30 HN CYS 30 18.906 0.802 -4.791 30 HA CYS 30 HA CYS 30 18.639 -1.745 -5.912 31 HB2 CYS 30 HB2 CYS 30 18.392 -0.902 -3.018 32 HB3 CYS 30 HB1 CYS 30 18.611 -2.559 -3.573 33 HG CYS 30 HG CYS 30 21.073 -1.416 -4.982 34 H LEU 31 HN LEU 31 16.948 -2.987 -6.364 35 HA LEU 31 HA LEU 31 14.289 -1.986 -5.994 36 HB2 LEU 31 HB2 LEU 31 15.063 -3.233 -8.008 37 HB3 LEU 31 HB1 LEU 31 15.184 -4.677 -7.024 38 HG LEU 31 HG LEU 31 12.553 -3.296 -7.073 39 HD11 LEU 31 HD11 LEU 31 11.929 -4.385 -9.165 40 HD12 LEU 31 HD12 LEU 31 13.587 -4.948 -9.374 41 HD13 LEU 31 HD13 LEU 31 13.230 -3.222 -9.418 42 HD21 LEU 31 HD21 LEU 31 12.877 -5.291 -5.723 43 HD22 LEU 31 HD22 LEU 31 13.427 -6.183 -7.140 44 HD23 LEU 31 HD23 LEU 31 11.759 -5.621 -7.045 45 H PHE 32 HN PHE 32 16.349 -4.239 -4.349 46 HA PHE 32 HA PHE 32 14.202 -5.515 -2.903 47 HB2 PHE 32 HB2 PHE 32 16.310 -6.702 -3.489 48 HB3 PHE 32 HB1 PHE 32 17.181 -5.635 -2.394 49 HD1 PHE 32 HD1 PHE 32 14.754 -8.378 -2.623 50 HD2 PHE 32 HD2 PHE 32 17.058 -5.921 -0.022 51 HE1 PHE 32 HE1 PHE 32 14.273 -9.908 -0.758 52 HE2 PHE 32 HE2 PHE 32 16.582 -7.446 1.848 53 HZ PHE 32 HZ PHE 32 15.185 -9.448 1.477 54 H LEU 33 HN LEU 33 16.450 -2.884 -2.399 55 HA LEU 33 HA LEU 33 15.868 -2.646 0.415 56 HB2 LEU 33 HB2 LEU 33 17.399 -0.905 -1.499 57 HB3 LEU 33 HB1 LEU 33 17.184 -0.514 0.196 58 HG LEU 33 HG LEU 33 18.636 -2.914 -0.919 59 HD11 LEU 33 HD11 LEU 33 19.877 -0.848 -1.118 60 HD12 LEU 33 HD12 LEU 33 20.581 -1.863 0.142 61 HD13 LEU 33 HD13 LEU 33 19.576 -0.483 0.580 62 HD21 LEU 33 HD21 LEU 33 17.476 -3.533 1.126 63 HD22 LEU 33 HD22 LEU 33 18.127 -2.114 1.947 64 HD23 LEU 33 HD23 LEU 33 19.210 -3.403 1.422 65 H SER 34 HN SER 34 15.022 -0.889 -2.544 66 HA SER 34 HA SER 34 13.542 1.153 -1.276 67 HB2 SER 34 HB2 SER 34 12.612 1.599 -3.507 68 HB3 SER 34 HB1 SER 34 14.355 1.348 -3.592 69 HG SER 34 HG SER 34 12.964 -0.972 -3.874 70 H LEU 35 HN LEU 35 12.731 -2.079 -2.345 71 HA LEU 35 HA LEU 35 9.921 -1.854 -2.212 72 HB2 LEU 35 HB2 LEU 35 11.126 -3.684 -3.355 73 HB3 LEU 35 HB1 LEU 35 11.638 -4.299 -1.795 74 HG LEU 35 HG LEU 35 9.278 -4.714 -1.198 75 HD11 LEU 35 HD11 LEU 35 7.559 -4.590 -2.936 76 HD12 LEU 35 HD12 LEU 35 8.726 -3.856 -4.035 77 HD13 LEU 35 HD13 LEU 35 8.233 -3.001 -2.574 78 HD21 LEU 35 HD21 LEU 35 8.938 -6.611 -2.709 79 HD22 LEU 35 HD22 LEU 35 10.615 -6.496 -2.172 80 HD23 LEU 35 HD23 LEU 35 10.169 -5.962 -3.792 81 H PHE 36 HN PHE 36 12.313 -1.986 0.220 82 HA PHE 36 HA PHE 36 10.981 -3.267 2.310 83 HB2 PHE 36 HB2 PHE 36 13.382 -2.554 2.320 84 HB3 PHE 36 HB1 PHE 36 12.842 -0.896 2.562 85 HD1 PHE 36 HD1 PHE 36 13.181 -4.202 4.093 86 HD2 PHE 36 HD2 PHE 36 11.972 -0.165 4.685 87 HE1 PHE 36 HE1 PHE 36 13.146 -4.573 6.526 88 HE2 PHE 36 HE2 PHE 36 11.935 -0.528 7.118 89 HZ PHE 36 HZ PHE 36 12.524 -2.734 8.041 90 H SER 37 HN SER 37 10.558 -0.089 0.955 91 HA SER 37 HA SER 37 8.753 0.663 3.141 92 HB2 SER 37 HB2 SER 37 9.868 2.330 0.873 93 HB3 SER 37 HB1 SER 37 8.840 2.931 2.174 94 HG SER 37 HG SER 37 11.310 3.041 2.305 95 H PHE 38 HN PHE 38 8.838 0.207 -0.364 96 HA PHE 38 HA PHE 38 6.216 1.050 -0.913 97 HB2 PHE 38 HB2 PHE 38 7.947 -0.961 -2.349 98 HB3 PHE 38 HB1 PHE 38 6.436 -0.323 -2.986 99 HD1 PHE 38 HD1 PHE 38 6.440 2.443 -2.637 100 HD2 PHE 38 HD2 PHE 38 9.783 -0.077 -3.402 101 HE1 PHE 38 HE1 PHE 38 7.650 4.350 -3.615 102 HE2 PHE 38 HE2 PHE 38 10.998 1.825 -4.383 103 HZ PHE 38 HZ PHE 38 9.938 4.034 -4.496 104 H LEU 39 HN LEU 39 7.423 -1.829 0.540 105 HA LEU 39 HA LEU 39 5.177 -3.494 -0.057 106 HB2 LEU 39 HB2 LEU 39 7.550 -4.201 0.619 107 HB3 LEU 39 HB1 LEU 39 7.051 -3.863 2.264 108 HG LEU 39 HG LEU 39 5.415 -5.717 0.590 109 HD11 LEU 39 HD11 LEU 39 7.911 -6.501 2.087 110 HD12 LEU 39 HD12 LEU 39 7.735 -6.469 0.332 111 HD13 LEU 39 HD13 LEU 39 6.779 -7.598 1.294 112 HD21 LEU 39 HD21 LEU 39 6.042 -5.544 3.536 113 HD22 LEU 39 HD22 LEU 39 5.001 -6.754 2.785 114 HD23 LEU 39 HD23 LEU 39 4.541 -5.052 2.751 115 H ILE 40 HN ILE 40 6.120 -1.433 2.645 116 HA ILE 40 HA ILE 40 3.933 -2.162 4.322 117 HB ILE 40 HB ILE 40 5.594 0.359 4.415 118 HG12 ILE 40 HG12 ILE 40 6.009 -2.245 5.903 119 HG13 ILE 40 HG11 ILE 40 6.945 -1.744 4.498 120 HG21 ILE 40 HG21 ILE 40 3.486 0.430 5.694 121 HG22 ILE 40 HG22 ILE 40 4.910 0.490 6.733 122 HG23 ILE 40 HG23 ILE 40 3.996 -1.009 6.577 123 HD11 ILE 40 HD11 ILE 40 6.840 -0.351 7.164 124 HD12 ILE 40 HD12 ILE 40 7.736 0.213 5.754 125 HD13 ILE 40 HD13 ILE 40 8.174 -1.312 6.526 126 H VAL 41 HN VAL 41 4.493 0.328 1.911 127 HA VAL 41 HA VAL 41 2.113 1.802 2.505 128 HB VAL 41 HB VAL 41 4.241 2.671 1.354 129 HG11 VAL 41 HG11 VAL 41 4.212 2.581 -1.087 130 HG12 VAL 41 HG12 VAL 41 2.829 1.491 -1.025 131 HG13 VAL 41 HG13 VAL 41 4.381 0.981 -0.369 132 HG21 VAL 41 HG21 VAL 41 2.238 4.019 1.673 133 HG22 VAL 41 HG22 VAL 41 1.529 3.333 0.211 134 HG23 VAL 41 HG23 VAL 41 2.968 4.348 0.101 135 H LEU 42 HN LEU 42 2.870 -0.958 0.578 136 HA LEU 42 HA LEU 42 0.555 -0.741 -1.131 137 HB2 LEU 42 HB2 LEU 42 2.899 -1.965 -1.474 138 HB3 LEU 42 HB1 LEU 42 2.008 -3.317 -0.788 139 HG LEU 42 HG LEU 42 1.982 -3.410 -3.218 140 HD11 LEU 42 HD11 LEU 42 -0.715 -2.673 -2.094 141 HD12 LEU 42 HD12 LEU 42 0.039 -4.266 -2.027 142 HD13 LEU 42 HD13 LEU 42 -0.424 -3.575 -3.583 143 HD21 LEU 42 HD21 LEU 42 0.842 -1.692 -4.537 144 HD22 LEU 42 HD22 LEU 42 2.251 -1.043 -3.700 145 HD23 LEU 42 HD23 LEU 42 0.631 -0.717 -3.083 146 H LEU 43 HN LEU 43 1.576 -2.997 1.437 147 HA LEU 43 HA LEU 43 -0.671 -4.559 1.613 148 HB2 LEU 43 HB2 LEU 43 1.415 -4.920 2.878 149 HB3 LEU 43 HB1 LEU 43 1.001 -3.576 3.925 150 HG LEU 43 HG LEU 43 -1.039 -4.826 4.638 151 HD11 LEU 43 HD11 LEU 43 -1.167 -7.216 4.162 152 HD12 LEU 43 HD12 LEU 43 0.230 -7.084 3.095 153 HD13 LEU 43 HD13 LEU 43 -1.275 -6.262 2.683 154 HD21 LEU 43 HD21 LEU 43 0.977 -4.846 5.999 155 HD22 LEU 43 HD22 LEU 43 1.602 -6.214 5.079 156 HD23 LEU 43 HD23 LEU 43 0.160 -6.406 6.075 157 H LEU 44 HN LEU 44 -0.215 -1.304 2.864 158 HA LEU 44 HA LEU 44 -2.677 -1.340 4.365 159 HB2 LEU 44 HB2 LEU 44 -0.860 0.951 3.625 160 HB3 LEU 44 HB1 LEU 44 -2.221 1.060 4.725 161 HG LEU 44 HG LEU 44 0.281 -0.577 5.154 162 HD11 LEU 44 HD11 LEU 44 0.680 1.794 5.411 163 HD12 LEU 44 HD12 LEU 44 0.672 1.012 6.993 164 HD13 LEU 44 HD13 LEU 44 -0.729 1.943 6.462 165 HD21 LEU 44 HD21 LEU 44 -1.648 -1.688 6.129 166 HD22 LEU 44 HD22 LEU 44 -2.134 -0.189 6.921 167 HD23 LEU 44 HD23 LEU 44 -0.638 -0.993 7.396 168 H THR 45 HN THR 45 -1.551 0.336 1.425 169 HA THR 45 HA THR 45 -3.936 1.660 0.839 170 HB THR 45 HB THR 45 -3.106 1.667 -1.549 171 HG1 THR 45 HG1 THR 45 -0.683 0.967 -1.381 172 HG21 THR 45 HG21 THR 45 -2.564 3.478 -0.033 173 HG22 THR 45 HG22 THR 45 -1.162 3.107 -1.036 174 HG23 THR 45 HG23 THR 45 -1.222 2.552 0.637 175 H THR 46 HN THR 46 -3.126 -1.682 0.455 176 HA THR 46 HA THR 46 -4.854 -2.372 -1.643 177 HB THR 46 HB THR 46 -4.090 -4.085 0.729 178 HG1 THR 46 HG1 THR 46 -2.407 -4.786 -0.659 179 HG21 THR 46 HG21 THR 46 -5.001 -4.884 -2.039 180 HG22 THR 46 HG22 THR 46 -6.002 -4.946 -0.589 181 HG23 THR 46 HG23 THR 46 -4.573 -5.972 -0.719 182 H LEU 47 HN LEU 47 -5.432 -2.764 1.866 183 HA LEU 47 HA LEU 47 -8.225 -3.235 1.446 184 HB2 LEU 47 HB2 LEU 47 -6.354 -3.175 3.746 185 HB3 LEU 47 HB1 LEU 47 -8.053 -2.938 4.083 186 HG LEU 47 HG LEU 47 -8.558 -5.095 2.992 187 HD11 LEU 47 HD11 LEU 47 -6.735 -6.624 2.447 188 HD12 LEU 47 HD12 LEU 47 -5.562 -5.354 2.801 189 HD13 LEU 47 HD13 LEU 47 -6.678 -5.171 1.448 190 HD21 LEU 47 HD21 LEU 47 -6.499 -5.228 5.190 191 HD22 LEU 47 HD22 LEU 47 -7.612 -6.522 4.746 192 HD23 LEU 47 HD23 LEU 47 -8.235 -5.006 5.398 193 H PHE 48 HN PHE 48 -6.221 -0.525 2.399 194 HA PHE 48 HA PHE 48 -8.279 1.090 3.471 195 HB2 PHE 48 HB2 PHE 48 -5.948 1.546 3.970 196 HB3 PHE 48 HB1 PHE 48 -5.609 1.860 2.272 197 HD1 PHE 48 HD1 PHE 48 -5.823 4.010 1.405 198 HD2 PHE 48 HD2 PHE 48 -7.606 3.078 5.155 199 HE1 PHE 48 HE1 PHE 48 -6.348 6.390 1.742 200 HE2 PHE 48 HE2 PHE 48 -8.136 5.456 5.499 201 HZ PHE 48 HZ PHE 48 -7.506 7.115 3.791 202 H CYS 49 HN CYS 49 -7.200 0.493 0.201 203 HA CYS 49 HA CYS 49 -8.617 2.760 -0.888 204 HB2 CYS 49 HB2 CYS 49 -6.581 1.957 -1.985 205 HB3 CYS 49 HB1 CYS 49 -7.339 0.395 -2.274 206 HG CYS 49 HG CYS 49 -7.754 3.315 -3.908 207 H LEU 50 HN LEU 50 -9.060 -0.763 -0.868 208 HA LEU 50 HA LEU 50 -11.368 -0.895 -2.418 209 HB2 LEU 50 HB2 LEU 50 -10.601 -2.625 -0.060 210 HB3 LEU 50 HB1 LEU 50 -11.811 -3.032 -1.274 211 HG LEU 50 HG LEU 50 -8.922 -2.540 -1.977 212 HD11 LEU 50 HD11 LEU 50 -10.220 -5.206 -1.440 213 HD12 LEU 50 HD12 LEU 50 -9.121 -4.386 -0.331 214 HD13 LEU 50 HD13 LEU 50 -8.546 -4.910 -1.914 215 HD21 LEU 50 HD21 LEU 50 -9.505 -3.808 -3.981 216 HD22 LEU 50 HD22 LEU 50 -10.523 -2.378 -3.805 217 HD23 LEU 50 HD23 LEU 50 -11.162 -3.970 -3.399 218 H LEU 51 HN LEU 51 -10.943 -0.121 0.973 219 HA LEU 51 HA LEU 51 -13.766 -0.127 1.549 220 HB2 LEU 51 HB2 LEU 51 -11.395 0.841 3.143 221 HB3 LEU 51 HB1 LEU 51 -13.041 0.793 3.745 222 HG LEU 51 HG LEU 51 -11.461 -1.626 2.868 223 HD11 LEU 51 HD11 LEU 51 -12.122 -0.632 5.637 224 HD12 LEU 51 HD12 LEU 51 -10.524 -0.635 4.888 225 HD13 LEU 51 HD13 LEU 51 -11.332 -2.160 5.248 226 HD21 LEU 51 HD21 LEU 51 -13.275 -2.889 3.926 227 HD22 LEU 51 HD22 LEU 51 -13.860 -1.909 2.581 228 HD23 LEU 51 HD23 LEU 51 -14.135 -1.382 4.241 229 H HIS 52 HN HIS 52 -11.262 2.333 1.043 230 HA HIS 52 HA HIS 52 -12.956 4.548 1.585 231 HB2 HIS 52 HB2 HIS 52 -10.541 4.744 1.774 232 HB3 HIS 52 HB1 HIS 52 -10.351 4.391 0.061 233 HD1 HIS 52 HD1 HIS 52 -10.182 6.374 -1.415 234 HD2 HIS 52 HD2 HIS 52 -12.049 7.274 2.187 235 HE1 HIS 52 HE1 HIS 52 -10.560 8.860 -1.457 236 HE2 HIS 52 HE2 HIS 52 -11.731 9.376 0.713 237 H PHE 53 HN PHE 53 -11.596 3.429 -1.530 238 HA PHE 53 HA PHE 53 -13.160 5.150 -3.107 239 HB2 PHE 53 HB2 PHE 53 -11.034 3.707 -3.676 240 HB3 PHE 53 HB1 PHE 53 -12.229 2.517 -4.178 241 HD1 PHE 53 HD1 PHE 53 -13.565 2.847 -6.143 242 HD2 PHE 53 HD2 PHE 53 -10.826 5.834 -4.844 243 HE1 PHE 53 HE1 PHE 53 -13.780 3.985 -8.315 244 HE2 PHE 53 HE2 PHE 53 -11.037 6.978 -7.012 245 HZ PHE 53 HZ PHE 53 -12.516 6.052 -8.751 246 H GLY 54 HN GLY 54 -13.854 2.069 -1.672 247 HA2 GLY 54 HA2 GLY 54 -15.798 0.856 -1.549 248 HA3 GLY 54 HA1 GLY 54 -16.626 2.298 -2.115 249 H VAL 55 HN VAL 55 -14.116 0.935 -4.078 250 HA VAL 55 HA VAL 55 -15.713 0.714 -6.341 251 HB VAL 55 HB VAL 55 -13.325 0.841 -6.560 252 HG11 VAL 55 HG11 VAL 55 -12.670 -0.355 -4.554 253 HG12 VAL 55 HG12 VAL 55 -11.848 -1.015 -5.968 254 HG13 VAL 55 HG13 VAL 55 -13.214 -1.872 -5.264 255 HG21 VAL 55 HG21 VAL 55 -14.472 -0.207 -8.400 256 HG22 VAL 55 HG22 VAL 55 -14.400 -1.775 -7.597 257 HG23 VAL 55 HG23 VAL 55 -12.917 -1.003 -8.156 258 H ILE 56 HN ILE 56 -14.752 -1.809 -4.049 259 HA ILE 56 HA ILE 56 -17.155 -3.278 -4.529 260 HB ILE 56 HB ILE 56 -15.547 -5.403 -5.011 261 HG12 ILE 56 HG12 ILE 56 -14.170 -4.633 -7.047 262 HG13 ILE 56 HG11 ILE 56 -14.301 -3.019 -6.364 263 HG21 ILE 56 HG21 ILE 56 -16.423 -5.365 -7.274 264 HG22 ILE 56 HG22 ILE 56 -16.821 -3.655 -7.107 265 HG23 ILE 56 HG23 ILE 56 -17.654 -4.855 -6.119 266 HD11 ILE 56 HD11 ILE 56 -13.110 -5.394 -4.956 267 HD12 ILE 56 HD12 ILE 56 -13.162 -3.733 -4.364 268 HD13 ILE 56 HD13 ILE 56 -12.199 -4.131 -5.786 269 H GLY 57 HN GLY 57 -17.589 -3.421 -2.401 270 HA2 GLY 57 HA2 GLY 57 -15.496 -4.453 -0.611 271 HA3 GLY 57 HA1 GLY 57 -16.958 -3.620 -0.103 272 HA PRO 58 HA PRO 58 -19.098 -7.406 0.600 273 HB2 PRO 58 HB2 PRO 58 -21.299 -6.628 -1.213 274 HB3 PRO 58 HB1 PRO 58 -21.334 -6.948 0.524 275 HG2 PRO 58 HG2 PRO 58 -21.574 -4.463 -0.431 276 HG3 PRO 58 HG1 PRO 58 -20.686 -4.793 1.068 277 HD2 PRO 58 HD2 PRO 58 -19.630 -4.258 -1.685 278 HD3 PRO 58 HD1 PRO 58 -19.041 -3.666 -0.117 279 H GLN 59 HN GLN 59 -20.448 -9.187 -0.627 280 HA GLN 59 HA GLN 59 -18.881 -9.889 -3.000 281 HB2 GLN 59 HB2 GLN 59 -20.654 -11.606 -1.253 282 HB3 GLN 59 HB1 GLN 59 -19.693 -12.183 -2.607 283 HG2 GLN 59 HG2 GLN 59 -18.590 -10.906 -0.116 284 HG3 GLN 59 HG1 GLN 59 -18.645 -12.639 -0.441 285 HE21 GLN 59 HE21 GLN 59 -17.160 -9.608 -1.277 286 HE22 GLN 59 HE22 GLN 59 -15.824 -10.273 -2.148 287 H ARG 60 HN ARG 60 -20.070 -8.477 -4.410 288 HA ARG 60 HA ARG 60 -22.714 -9.553 -5.144 289 HB2 ARG 60 HB2 ARG 60 -22.859 -7.287 -4.162 290 HB3 ARG 60 HB1 ARG 60 -21.770 -6.692 -5.406 291 HG2 ARG 60 HG2 ARG 60 -24.013 -6.115 -5.998 292 HG3 ARG 60 HG1 ARG 60 -23.433 -7.350 -7.117 293 HD2 ARG 60 HD2 ARG 60 -24.654 -9.060 -5.932 294 HD3 ARG 60 HD1 ARG 60 -25.137 -7.905 -4.691 295 HE ARG 60 HE ARG 60 -25.987 -7.046 -7.257 296 HH11 ARG 60 HH11 ARG 60 -26.721 -9.342 -4.738 297 HH12 ARG 60 HH12 ARG 60 -28.404 -9.433 -5.134 298 HH21 ARG 60 HH21 ARG 60 -28.202 -7.161 -7.787 299 HH22 ARG 60 HH22 ARG 60 -29.248 -8.192 -6.867 Start of MODEL 20 1 H1 ARG 28 HT1 ARG 28 24.588 0.653 -5.238 2 H2 ARG 28 HT2 ARG 28 24.471 -0.815 -6.069 3 H3 ARG 28 HT3 ARG 28 25.915 0.065 -6.109 4 HA ARG 28 HA ARG 28 26.108 -1.813 -4.626 5 HB2 ARG 28 HB2 ARG 28 27.333 0.290 -4.154 6 HB3 ARG 28 HB1 ARG 28 25.993 0.826 -3.151 7 HG2 ARG 28 HG2 ARG 28 27.688 -0.001 -1.710 8 HG3 ARG 28 HG1 ARG 28 26.372 -1.178 -1.708 9 HD2 ARG 28 HD2 ARG 28 27.608 -2.542 -3.332 10 HD3 ARG 28 HD1 ARG 28 28.925 -1.370 -3.305 11 HE ARG 28 HE ARG 28 28.179 -2.570 -0.761 12 HH11 ARG 28 HH11 ARG 28 30.353 -2.514 -3.485 13 HH12 ARG 28 HH12 ARG 28 31.610 -3.377 -2.663 14 HH21 ARG 28 HH21 ARG 28 29.829 -3.704 0.329 15 HH22 ARG 28 HH22 ARG 28 31.311 -4.053 -0.495 16 H ARG 29 HN ARG 29 23.414 0.321 -3.899 17 HA ARG 29 HA ARG 29 22.523 -1.074 -1.588 18 HB2 ARG 29 HB2 ARG 29 21.912 1.267 -2.070 19 HB3 ARG 29 HB1 ARG 29 20.973 0.730 -3.457 20 HG2 ARG 29 HG2 ARG 29 19.461 -0.481 -2.003 21 HG3 ARG 29 HG1 ARG 29 20.429 -0.037 -0.596 22 HD2 ARG 29 HD2 ARG 29 18.483 1.402 -0.771 23 HD3 ARG 29 HD1 ARG 29 19.958 2.330 -1.031 24 HE ARG 29 HE ARG 29 18.752 1.382 -3.458 25 HH11 ARG 29 HH11 ARG 29 18.769 3.925 -1.076 26 HH12 ARG 29 HH12 ARG 29 18.124 5.116 -2.155 27 HH21 ARG 29 HH21 ARG 29 17.900 2.944 -4.885 28 HH22 ARG 29 HH22 ARG 29 17.629 4.559 -4.320 29 H CYS 30 HN CYS 30 20.896 -2.580 -1.340 30 HA CYS 30 HA CYS 30 20.501 -4.363 -3.561 31 HB2 CYS 30 HB2 CYS 30 19.410 -4.432 -0.741 32 HB3 CYS 30 HB1 CYS 30 19.240 -5.729 -1.918 33 HG CYS 30 HG CYS 30 21.615 -6.767 -1.670 34 H LEU 31 HN LEU 31 18.553 -4.931 -4.531 35 HA LEU 31 HA LEU 31 16.654 -2.783 -4.764 36 HB2 LEU 31 HB2 LEU 31 16.648 -5.529 -6.017 37 HB3 LEU 31 HB1 LEU 31 15.600 -4.198 -6.467 38 HG LEU 31 HG LEU 31 18.606 -4.171 -6.739 39 HD11 LEU 31 HD11 LEU 31 18.210 -4.420 -9.132 40 HD12 LEU 31 HD12 LEU 31 16.479 -4.583 -8.835 41 HD13 LEU 31 HD13 LEU 31 17.596 -5.810 -8.237 42 HD21 LEU 31 HD21 LEU 31 17.643 -1.953 -6.448 43 HD22 LEU 31 HD22 LEU 31 16.487 -2.273 -7.742 44 HD23 LEU 31 HD23 LEU 31 18.211 -2.175 -8.104 45 H PHE 32 HN PHE 32 16.898 -5.696 -2.961 46 HA PHE 32 HA PHE 32 14.066 -6.019 -2.535 47 HB2 PHE 32 HB2 PHE 32 16.430 -7.283 -1.130 48 HB3 PHE 32 HB1 PHE 32 14.749 -7.752 -0.904 49 HD1 PHE 32 HD1 PHE 32 13.493 -8.759 -2.808 50 HD2 PHE 32 HD2 PHE 32 17.690 -8.073 -2.955 51 HE1 PHE 32 HE1 PHE 32 13.681 -10.337 -4.686 52 HE2 PHE 32 HE2 PHE 32 17.886 -9.648 -4.835 53 HZ PHE 32 HZ PHE 32 15.871 -10.777 -5.709 54 H LEU 33 HN LEU 33 16.699 -4.349 -1.023 55 HA LEU 33 HA LEU 33 15.410 -3.948 1.502 56 HB2 LEU 33 HB2 LEU 33 17.818 -2.725 0.193 57 HB3 LEU 33 HB1 LEU 33 17.231 -2.186 1.756 58 HG LEU 33 HG LEU 33 18.176 -4.977 1.095 59 HD11 LEU 33 HD11 LEU 33 20.025 -4.425 2.607 60 HD12 LEU 33 HD12 LEU 33 19.412 -2.777 2.731 61 HD13 LEU 33 HD13 LEU 33 19.993 -3.386 1.183 62 HD21 LEU 33 HD21 LEU 33 16.413 -5.022 2.768 63 HD22 LEU 33 HD22 LEU 33 17.246 -3.779 3.704 64 HD23 LEU 33 HD23 LEU 33 17.974 -5.374 3.512 65 H SER 34 HN SER 34 15.725 -2.115 -1.486 66 HA SER 34 HA SER 34 14.594 0.293 -0.497 67 HB2 SER 34 HB2 SER 34 14.748 -0.740 -3.340 68 HB3 SER 34 HB1 SER 34 14.370 0.918 -2.871 69 HG SER 34 HG SER 34 16.442 1.212 -2.900 70 H LEU 35 HN LEU 35 13.258 -2.709 -1.488 71 HA LEU 35 HA LEU 35 10.633 -1.671 -2.091 72 HB2 LEU 35 HB2 LEU 35 11.579 -3.691 -3.185 73 HB3 LEU 35 HB1 LEU 35 11.512 -4.521 -1.641 74 HG LEU 35 HG LEU 35 9.041 -4.224 -1.635 75 HD11 LEU 35 HD11 LEU 35 9.478 -3.237 -4.450 76 HD12 LEU 35 HD12 LEU 35 8.929 -2.260 -3.089 77 HD13 LEU 35 HD13 LEU 35 7.921 -3.574 -3.695 78 HD21 LEU 35 HD21 LEU 35 10.195 -5.642 -4.030 79 HD22 LEU 35 HD22 LEU 35 8.600 -5.926 -3.334 80 HD23 LEU 35 HD23 LEU 35 10.048 -6.301 -2.401 81 H PHE 36 HN PHE 36 12.341 -2.410 0.719 82 HA PHE 36 HA PHE 36 10.389 -3.528 2.378 83 HB2 PHE 36 HB2 PHE 36 12.781 -3.381 2.965 84 HB3 PHE 36 HB1 PHE 36 12.622 -1.637 3.145 85 HD1 PHE 36 HD1 PHE 36 11.380 -4.866 4.487 86 HD2 PHE 36 HD2 PHE 36 11.981 -0.710 5.180 87 HE1 PHE 36 HE1 PHE 36 10.754 -5.172 6.848 88 HE2 PHE 36 HE2 PHE 36 11.357 -1.009 7.541 89 HZ PHE 36 HZ PHE 36 10.734 -3.247 8.374 90 H SER 37 HN SER 37 10.694 -0.321 1.142 91 HA SER 37 HA SER 37 8.911 0.801 3.156 92 HB2 SER 37 HB2 SER 37 10.220 2.096 0.755 93 HB3 SER 37 HB1 SER 37 9.283 2.939 1.987 94 HG SER 37 HG SER 37 11.852 2.385 2.028 95 H PHE 38 HN PHE 38 8.972 0.457 -0.393 96 HA PHE 38 HA PHE 38 6.363 1.373 -0.852 97 HB2 PHE 38 HB2 PHE 38 7.897 -0.648 -2.488 98 HB3 PHE 38 HB1 PHE 38 6.551 0.340 -3.044 99 HD1 PHE 38 HD1 PHE 38 6.868 2.886 -2.994 100 HD2 PHE 38 HD2 PHE 38 10.080 0.106 -2.734 101 HE1 PHE 38 HE1 PHE 38 8.439 4.639 -3.710 102 HE2 PHE 38 HE2 PHE 38 11.657 1.856 -3.445 103 HZ PHE 38 HZ PHE 38 10.837 4.126 -3.935 104 H LEU 39 HN LEU 39 7.497 -1.592 0.436 105 HA LEU 39 HA LEU 39 5.254 -3.201 -0.306 106 HB2 LEU 39 HB2 LEU 39 7.566 -4.016 0.339 107 HB3 LEU 39 HB1 LEU 39 7.133 -3.673 2.002 108 HG LEU 39 HG LEU 39 5.347 -5.438 0.406 109 HD11 LEU 39 HD11 LEU 39 6.701 -7.389 0.976 110 HD12 LEU 39 HD12 LEU 39 7.950 -6.332 1.637 111 HD13 LEU 39 HD13 LEU 39 7.578 -6.287 -0.087 112 HD21 LEU 39 HD21 LEU 39 6.228 -5.383 3.290 113 HD22 LEU 39 HD22 LEU 39 5.076 -6.526 2.598 114 HD23 LEU 39 HD23 LEU 39 4.688 -4.808 2.655 115 H ILE 40 HN ILE 40 6.044 -1.087 2.352 116 HA ILE 40 HA ILE 40 3.847 -1.936 4.008 117 HB ILE 40 HB ILE 40 5.505 0.578 4.245 118 HG12 ILE 40 HG12 ILE 40 5.938 -2.034 5.700 119 HG13 ILE 40 HG11 ILE 40 6.811 -1.602 4.233 120 HG21 ILE 40 HG21 ILE 40 3.845 -0.911 6.275 121 HG22 ILE 40 HG22 ILE 40 3.416 0.618 5.509 122 HG23 ILE 40 HG23 ILE 40 4.811 0.532 6.586 123 HD11 ILE 40 HD11 ILE 40 8.111 -1.141 6.243 124 HD12 ILE 40 HD12 ILE 40 6.847 -0.048 6.811 125 HD13 ILE 40 HD13 ILE 40 7.755 0.337 5.347 126 H VAL 41 HN VAL 41 4.469 0.584 1.656 127 HA VAL 41 HA VAL 41 2.094 2.077 2.251 128 HB VAL 41 HB VAL 41 4.225 3.008 1.208 129 HG11 VAL 41 HG11 VAL 41 2.987 1.864 -1.285 130 HG12 VAL 41 HG12 VAL 41 4.467 1.296 -0.517 131 HG13 VAL 41 HG13 VAL 41 4.399 2.918 -1.207 132 HG21 VAL 41 HG21 VAL 41 2.987 4.659 -0.122 133 HG22 VAL 41 HG22 VAL 41 2.176 4.308 1.406 134 HG23 VAL 41 HG23 VAL 41 1.570 3.609 -0.096 135 H LEU 42 HN LEU 42 2.914 -0.572 0.168 136 HA LEU 42 HA LEU 42 0.577 -0.287 -1.505 137 HB2 LEU 42 HB2 LEU 42 2.852 -1.287 -2.163 138 HB3 LEU 42 HB1 LEU 42 2.320 -2.728 -1.306 139 HG LEU 42 HG LEU 42 0.662 -1.544 -3.517 140 HD11 LEU 42 HD11 LEU 42 2.895 -3.548 -3.810 141 HD12 LEU 42 HD12 LEU 42 2.896 -1.897 -4.429 142 HD13 LEU 42 HD13 LEU 42 1.754 -3.078 -5.070 143 HD21 LEU 42 HD21 LEU 42 -0.416 -3.202 -2.107 144 HD22 LEU 42 HD22 LEU 42 0.922 -4.321 -2.366 145 HD23 LEU 42 HD23 LEU 42 -0.121 -3.865 -3.714 146 H LEU 43 HN LEU 43 1.669 -2.493 1.052 147 HA LEU 43 HA LEU 43 -0.480 -4.243 1.088 148 HB2 LEU 43 HB2 LEU 43 1.790 -4.028 2.505 149 HB3 LEU 43 HB1 LEU 43 0.663 -3.423 3.701 150 HG LEU 43 HG LEU 43 1.072 -5.793 4.033 151 HD11 LEU 43 HD11 LEU 43 -1.219 -6.599 4.050 152 HD12 LEU 43 HD12 LEU 43 -1.698 -5.302 2.956 153 HD13 LEU 43 HD13 LEU 43 -1.141 -4.920 4.585 154 HD21 LEU 43 HD21 LEU 43 -0.039 -6.179 1.258 155 HD22 LEU 43 HD22 LEU 43 0.432 -7.453 2.383 156 HD23 LEU 43 HD23 LEU 43 1.652 -6.364 1.722 157 H LEU 44 HN LEU 44 -0.175 -1.030 2.481 158 HA LEU 44 HA LEU 44 -2.660 -1.202 3.924 159 HB2 LEU 44 HB2 LEU 44 -0.767 1.066 3.355 160 HB3 LEU 44 HB1 LEU 44 -2.273 1.291 4.225 161 HG LEU 44 HG LEU 44 -0.016 -0.513 5.104 162 HD11 LEU 44 HD11 LEU 44 -0.888 2.192 6.108 163 HD12 LEU 44 HD12 LEU 44 0.609 1.829 5.249 164 HD13 LEU 44 HD13 LEU 44 0.332 1.164 6.860 165 HD21 LEU 44 HD21 LEU 44 -1.266 -0.678 7.195 166 HD22 LEU 44 HD22 LEU 44 -2.212 -1.297 5.840 167 HD23 LEU 44 HD23 LEU 44 -2.561 0.299 6.506 168 H THR 45 HN THR 45 -1.545 0.535 1.020 169 HA THR 45 HA THR 45 -3.905 1.890 0.445 170 HB THR 45 HB THR 45 -3.107 1.783 -1.981 171 HG1 THR 45 HG1 THR 45 -0.612 1.139 -1.550 172 HG21 THR 45 HG21 THR 45 -2.621 3.676 -0.538 173 HG22 THR 45 HG22 THR 45 -1.215 3.302 -1.533 174 HG23 THR 45 HG23 THR 45 -1.249 2.818 0.163 175 H THR 46 HN THR 46 -3.190 -1.474 0.096 176 HA THR 46 HA THR 46 -5.106 -2.064 -1.920 177 HB THR 46 HB THR 46 -3.967 -3.909 0.188 178 HG1 THR 46 HG1 THR 46 -2.342 -4.260 -1.221 179 HG21 THR 46 HG21 THR 46 -6.025 -4.763 -0.883 180 HG22 THR 46 HG22 THR 46 -4.603 -5.710 -1.321 181 HG23 THR 46 HG23 THR 46 -5.271 -4.546 -2.463 182 H LEU 47 HN LEU 47 -5.192 -2.709 1.594 183 HA LEU 47 HA LEU 47 -7.993 -3.306 1.531 184 HB2 LEU 47 HB2 LEU 47 -6.089 -2.880 3.830 185 HB3 LEU 47 HB1 LEU 47 -7.758 -3.381 4.019 186 HG LEU 47 HG LEU 47 -5.657 -4.950 2.521 187 HD11 LEU 47 HD11 LEU 47 -5.149 -4.875 4.894 188 HD12 LEU 47 HD12 LEU 47 -5.728 -6.476 4.436 189 HD13 LEU 47 HD13 LEU 47 -6.800 -5.358 5.280 190 HD21 LEU 47 HD21 LEU 47 -7.320 -6.756 2.605 191 HD22 LEU 47 HD22 LEU 47 -7.904 -5.363 1.694 192 HD23 LEU 47 HD23 LEU 47 -8.476 -5.644 3.339 193 H PHE 48 HN PHE 48 -6.150 -0.428 1.892 194 HA PHE 48 HA PHE 48 -8.162 1.027 3.349 195 HB2 PHE 48 HB2 PHE 48 -5.850 1.672 3.637 196 HB3 PHE 48 HB1 PHE 48 -5.668 1.947 1.908 197 HD1 PHE 48 HD1 PHE 48 -6.132 4.039 0.978 198 HD2 PHE 48 HD2 PHE 48 -7.456 3.149 4.924 199 HE1 PHE 48 HE1 PHE 48 -6.775 6.394 1.288 200 HE2 PHE 48 HE2 PHE 48 -8.102 5.503 5.240 201 HZ PHE 48 HZ PHE 48 -7.767 7.127 3.415 202 H CYS 49 HN CYS 49 -7.170 0.712 -0.024 203 HA CYS 49 HA CYS 49 -8.848 2.792 -0.999 204 HB2 CYS 49 HB2 CYS 49 -6.911 2.012 -2.274 205 HB3 CYS 49 HB1 CYS 49 -7.646 0.423 -2.447 206 HG CYS 49 HG CYS 49 -7.697 2.492 -4.698 207 H LEU 50 HN LEU 50 -9.251 -0.675 -0.543 208 HA LEU 50 HA LEU 50 -11.658 -1.000 -1.950 209 HB2 LEU 50 HB2 LEU 50 -10.663 -2.474 0.494 210 HB3 LEU 50 HB1 LEU 50 -11.980 -3.009 -0.546 211 HG LEU 50 HG LEU 50 -9.188 -2.585 -1.593 212 HD11 LEU 50 HD11 LEU 50 -10.343 -5.200 -0.649 213 HD12 LEU 50 HD12 LEU 50 -9.215 -4.227 0.293 214 HD13 LEU 50 HD13 LEU 50 -8.716 -4.896 -1.260 215 HD21 LEU 50 HD21 LEU 50 -11.540 -4.192 -2.581 216 HD22 LEU 50 HD22 LEU 50 -9.954 -4.108 -3.349 217 HD23 LEU 50 HD23 LEU 50 -10.964 -2.666 -3.252 218 H LEU 51 HN LEU 51 -10.971 0.061 1.323 219 HA LEU 51 HA LEU 51 -13.742 0.153 2.109 220 HB2 LEU 51 HB2 LEU 51 -11.231 1.208 3.406 221 HB3 LEU 51 HB1 LEU 51 -12.822 1.287 4.139 222 HG LEU 51 HG LEU 51 -11.483 -1.302 3.361 223 HD11 LEU 51 HD11 LEU 51 -10.131 -0.195 5.042 224 HD12 LEU 51 HD12 LEU 51 -10.988 -1.565 5.750 225 HD13 LEU 51 HD13 LEU 51 -11.560 0.077 6.040 226 HD21 LEU 51 HD21 LEU 51 -13.913 -1.409 3.528 227 HD22 LEU 51 HD22 LEU 51 -13.845 -0.688 5.136 228 HD23 LEU 51 HD23 LEU 51 -13.152 -2.286 4.856 229 H HIS 52 HN HIS 52 -11.322 2.387 0.913 230 HA HIS 52 HA HIS 52 -12.805 4.761 1.454 231 HB2 HIS 52 HB2 HIS 52 -10.345 4.733 1.196 232 HB3 HIS 52 HB1 HIS 52 -10.543 4.326 -0.506 233 HD1 HIS 52 HD1 HIS 52 -11.293 6.211 -2.096 234 HD2 HIS 52 HD2 HIS 52 -10.871 7.408 1.860 235 HE1 HIS 52 HE1 HIS 52 -11.358 8.724 -2.145 236 HE2 HIS 52 HE2 HIS 52 -11.030 9.428 0.252 237 H PHE 53 HN PHE 53 -12.796 2.447 -1.133 238 HA PHE 53 HA PHE 53 -14.436 4.246 -2.778 239 HB2 PHE 53 HB2 PHE 53 -12.375 3.155 -3.774 240 HB3 PHE 53 HB1 PHE 53 -13.228 1.619 -3.645 241 HD1 PHE 53 HD1 PHE 53 -14.865 0.992 -5.218 242 HD2 PHE 53 HD2 PHE 53 -13.290 4.945 -5.246 243 HE1 PHE 53 HE1 PHE 53 -15.942 1.401 -7.392 244 HE2 PHE 53 HE2 PHE 53 -14.365 5.362 -7.420 245 HZ PHE 53 HZ PHE 53 -15.688 3.599 -8.496 246 H GLY 54 HN GLY 54 -14.527 1.398 -0.857 247 HA2 GLY 54 HA2 GLY 54 -16.305 0.116 -0.165 248 HA3 GLY 54 HA1 GLY 54 -17.365 1.260 -0.973 249 H VAL 55 HN VAL 55 -14.848 -0.307 -2.767 250 HA VAL 55 HA VAL 55 -16.459 -1.260 -4.790 251 HB VAL 55 HB VAL 55 -14.365 -3.138 -4.599 252 HG11 VAL 55 HG11 VAL 55 -13.470 -1.910 -6.526 253 HG12 VAL 55 HG12 VAL 55 -14.589 -0.591 -6.192 254 HG13 VAL 55 HG13 VAL 55 -15.208 -2.175 -6.654 255 HG21 VAL 55 HG21 VAL 55 -13.425 -0.356 -3.904 256 HG22 VAL 55 HG22 VAL 55 -12.392 -1.721 -4.327 257 HG23 VAL 55 HG23 VAL 55 -13.353 -1.770 -2.851 258 H ILE 56 HN ILE 56 -14.874 -3.455 -2.508 259 HA ILE 56 HA ILE 56 -17.359 -4.964 -2.232 260 HB ILE 56 HB ILE 56 -16.059 -7.098 -2.517 261 HG12 ILE 56 HG12 ILE 56 -14.048 -5.360 -3.951 262 HG13 ILE 56 HG11 ILE 56 -13.815 -5.892 -2.289 263 HG21 ILE 56 HG21 ILE 56 -17.579 -6.295 -4.227 264 HG22 ILE 56 HG22 ILE 56 -16.163 -7.042 -4.967 265 HG23 ILE 56 HG23 ILE 56 -16.305 -5.285 -4.912 266 HD11 ILE 56 HD11 ILE 56 -12.629 -7.292 -3.909 267 HD12 ILE 56 HD12 ILE 56 -14.169 -7.714 -4.657 268 HD13 ILE 56 HD13 ILE 56 -13.832 -8.200 -2.995 269 H GLY 57 HN GLY 57 -14.966 -6.899 -1.129 270 HA2 GLY 57 HA2 GLY 57 -13.713 -6.135 1.037 271 HA3 GLY 57 HA1 GLY 57 -15.367 -5.969 1.613 272 HA PRO 58 HA PRO 58 -15.527 -10.315 2.414 273 HB2 PRO 58 HB2 PRO 58 -17.881 -11.197 1.481 274 HB3 PRO 58 HB1 PRO 58 -17.795 -10.013 2.791 275 HG2 PRO 58 HG2 PRO 58 -18.332 -9.580 -0.120 276 HG3 PRO 58 HG1 PRO 58 -19.130 -8.852 1.286 277 HD2 PRO 58 HD2 PRO 58 -17.167 -7.611 -0.177 278 HD3 PRO 58 HD1 PRO 58 -17.509 -7.256 1.525 279 H GLN 59 HN GLN 59 -16.887 -12.362 0.906 280 HA GLN 59 HA GLN 59 -14.984 -12.657 -1.322 281 HB2 GLN 59 HB2 GLN 59 -16.388 -14.866 0.185 282 HB3 GLN 59 HB1 GLN 59 -15.096 -15.043 -0.993 283 HG2 GLN 59 HG2 GLN 59 -14.875 -13.768 1.724 284 HG3 GLN 59 HG1 GLN 59 -14.250 -15.345 1.246 285 HE21 GLN 59 HE21 GLN 59 -12.839 -13.041 2.320 286 HE22 GLN 59 HE22 GLN 59 -11.631 -12.627 1.156 287 H ARG 60 HN ARG 60 -17.606 -11.340 -1.404 288 HA ARG 60 HA ARG 60 -18.794 -12.976 -3.532 289 HB2 ARG 60 HB2 ARG 60 -20.314 -11.548 -1.344 290 HB3 ARG 60 HB1 ARG 60 -21.055 -12.269 -2.767 291 HG2 ARG 60 HG2 ARG 60 -20.287 -14.467 -2.082 292 HG3 ARG 60 HG1 ARG 60 -19.475 -13.762 -0.682 293 HD2 ARG 60 HD2 ARG 60 -21.630 -14.753 -0.075 294 HD3 ARG 60 HD1 ARG 60 -21.610 -13.012 0.203 295 HE ARG 60 HE ARG 60 -22.672 -13.197 -2.263 296 HH11 ARG 60 HH11 ARG 60 -23.411 -14.804 0.740 297 HH12 ARG 60 HH12 ARG 60 -25.096 -14.984 0.376 298 HH21 ARG 60 HH21 ARG 60 -24.887 -13.434 -2.749 299 HH22 ARG 60 HH22 ARG 60 -25.934 -14.207 -1.607
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