NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
651230 | 6kra | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 HT1 ARG 1 2.946 -0.420 -0.061 2 H2 ARG 1 HT2 ARG 1 1.870 -1.603 -0.643 3 H3 ARG 1 HT3 ARG 1 1.322 -0.034 -0.333 4 HA ARG 1 HA ARG 1 1.631 -0.508 -2.712 5 HB2 ARG 1 HB2 ARG 1 3.429 1.629 -1.534 6 HB3 ARG 1 HB1 ARG 1 2.825 1.597 -3.188 7 HG2 ARG 1 HG2 ARG 1 0.544 1.791 -2.385 8 HG3 ARG 1 HG1 ARG 1 1.114 1.755 -0.718 9 HD2 ARG 1 HD2 ARG 1 2.364 3.845 -1.135 10 HD3 ARG 1 HD1 ARG 1 1.694 3.894 -2.768 11 HE ARG 1 HE ARG 1 -0.416 3.650 -0.930 12 HH11 ARG 1 HH11 ARG 1 1.978 6.049 -1.877 13 HH12 ARG 1 HH12 ARG 1 0.958 7.393 -1.447 14 HH21 ARG 1 HH21 ARG 1 -1.721 5.385 -0.380 15 HH22 ARG 1 HH22 ARG 1 -1.156 7.019 -0.597 16 H ARG 2 HN ARG 2 2.922 -2.647 -1.890 17 HA ARG 2 HA ARG 2 5.771 -2.491 -2.339 18 HB2 ARG 2 HB2 ARG 2 5.076 -3.928 -0.589 19 HB3 ARG 2 HB1 ARG 2 3.843 -4.675 -1.585 20 HG2 ARG 2 HG2 ARG 2 5.614 -6.226 -1.244 21 HG3 ARG 2 HG1 ARG 2 5.626 -5.723 -2.934 22 HD2 ARG 2 HD2 ARG 2 7.524 -4.370 -2.620 23 HD3 ARG 2 HD1 ARG 2 7.377 -4.434 -0.862 24 HE ARG 2 HE ARG 2 8.258 -6.605 -0.870 25 HH11 ARG 2 HH11 ARG 2 8.151 -5.214 -4.080 26 HH12 ARG 2 HH12 ARG 2 9.097 -6.477 -4.796 27 HH21 ARG 2 HH21 ARG 2 9.523 -8.251 -1.794 28 HH22 ARG 2 HH22 ARG 2 9.891 -8.210 -3.490 29 H THR 3 HN THR 3 2.906 -3.713 -4.034 30 HA THR 3 HA THR 3 4.430 -3.693 -6.504 31 HB THR 3 HB THR 3 3.145 -6.258 -5.527 32 HG1 THR 3 HG1 THR 3 5.611 -5.275 -5.223 33 HG21 THR 3 HG21 THR 3 4.552 -5.646 -8.132 34 HG22 THR 3 HG22 THR 3 2.824 -5.947 -7.932 35 HG23 THR 3 HG23 THR 3 3.988 -7.236 -7.616 36 H CYS 4 HN CYS 4 3.170 -2.726 -7.948 37 HA CYS 4 HA CYS 4 0.260 -2.857 -7.617 38 HB2 CYS 4 HB2 CYS 4 1.608 -1.177 -9.704 39 HB3 CYS 4 HB1 CYS 4 0.126 -0.863 -8.812 40 H ARG 5 HN ARG 5 -1.041 -3.866 -9.158 41 HA ARG 5 HA ARG 5 -0.021 -4.474 -11.765 42 HB2 ARG 5 HB2 ARG 5 0.068 -6.838 -11.668 43 HB3 ARG 5 HB1 ARG 5 1.030 -6.246 -10.323 44 HG2 ARG 5 HG2 ARG 5 -0.690 -6.787 -8.761 45 HG3 ARG 5 HG1 ARG 5 -1.820 -7.171 -10.063 46 HD2 ARG 5 HD2 ARG 5 0.687 -8.654 -9.304 47 HD3 ARG 5 HD1 ARG 5 -0.977 -9.229 -9.185 48 HE ARG 5 HE ARG 5 -0.108 -8.512 -11.860 49 HH11 ARG 5 HH11 ARG 5 -0.487 -11.085 -9.504 50 HH12 ARG 5 HH12 ARG 5 -0.353 -12.345 -10.687 51 HH21 ARG 5 HH21 ARG 5 0.017 -10.163 -13.407 52 HH22 ARG 5 HH22 ARG 5 -0.077 -11.828 -12.912 53 H CYS 6 HN CYS 6 -1.555 -5.158 -13.213 54 HA CYS 6 HA CYS 6 -4.306 -4.778 -12.571 55 HB2 CYS 6 HB2 CYS 6 -3.417 -6.111 -15.078 56 HB3 CYS 6 HB1 CYS 6 -4.558 -4.786 -14.849 57 H ARG 7 HN ARG 7 -5.649 -6.314 -11.740 58 HA ARG 7 HA ARG 7 -5.019 -9.115 -12.364 59 HB2 ARG 7 HB2 ARG 7 -5.785 -9.734 -10.083 60 HB3 ARG 7 HB1 ARG 7 -4.349 -8.718 -10.071 61 HG2 ARG 7 HG2 ARG 7 -5.746 -6.766 -9.564 62 HG3 ARG 7 HG1 ARG 7 -7.172 -7.804 -9.544 63 HD2 ARG 7 HD2 ARG 7 -4.789 -8.037 -7.709 64 HD3 ARG 7 HD1 ARG 7 -6.354 -7.344 -7.284 65 HE ARG 7 HE ARG 7 -6.826 -9.917 -8.214 66 HH11 ARG 7 HH11 ARG 7 -5.218 -8.357 -5.515 67 HH12 ARG 7 HH12 ARG 7 -5.382 -9.735 -4.465 68 HH21 ARG 7 HH21 ARG 7 -7.064 -11.718 -6.815 69 HH22 ARG 7 HH22 ARG 7 -6.432 -11.626 -5.202 70 H PHE 8 HN PHE 8 -6.719 -10.558 -12.575 71 HA PHE 8 HA PHE 8 -9.149 -9.384 -13.555 72 HB2 PHE 8 HB2 PHE 8 -8.102 -11.378 -14.595 73 HB3 PHE 8 HB1 PHE 8 -8.448 -12.298 -13.136 74 HD1 PHE 8 HD1 PHE 8 -10.103 -10.333 -15.823 75 HD2 PHE 8 HD2 PHE 8 -10.456 -13.438 -12.933 76 HE1 PHE 8 HE1 PHE 8 -12.304 -10.931 -16.742 77 HE2 PHE 8 HE2 PHE 8 -12.660 -14.039 -13.844 78 HZ PHE 8 HZ PHE 8 -13.585 -12.787 -15.754 79 H GLY 9 HN GLY 9 -11.004 -9.099 -12.514 80 HA2 GLY 9 HA2 GLY 9 -12.688 -9.626 -10.931 81 HA3 GLY 9 HA1 GLY 9 -11.491 -10.524 -10.004 82 H ARG 10 HN ARG 10 -12.353 -9.297 -8.168 83 HA ARG 10 HA ARG 10 -11.546 -6.497 -8.117 84 HB2 ARG 10 HB2 ARG 10 -12.635 -6.449 -5.882 85 HB3 ARG 10 HB1 ARG 10 -13.719 -6.906 -7.182 86 HG2 ARG 10 HG2 ARG 10 -14.294 -8.353 -5.479 87 HG3 ARG 10 HG1 ARG 10 -13.199 -9.328 -6.460 88 HD2 ARG 10 HD2 ARG 10 -11.388 -8.922 -4.928 89 HD3 ARG 10 HD1 ARG 10 -12.372 -7.785 -4.005 90 HE ARG 10 HE ARG 10 -13.634 -10.315 -4.127 91 HH11 ARG 10 HH11 ARG 10 -10.967 -8.653 -2.576 92 HH12 ARG 10 HH12 ARG 10 -11.007 -9.656 -1.153 93 HH21 ARG 10 HH21 ARG 10 -13.700 -11.612 -2.271 94 HH22 ARG 10 HH22 ARG 10 -12.567 -11.346 -0.983 95 H CYS 11 HN CYS 11 -10.435 -5.766 -6.033 96 HA CYS 11 HA CYS 11 -8.061 -7.461 -5.802 97 HB2 CYS 11 HB2 CYS 11 -8.385 -4.538 -5.099 98 HB3 CYS 11 HB1 CYS 11 -6.875 -5.439 -5.195 99 H PHE 12 HN PHE 12 -6.841 -6.895 -3.623 100 HA PHE 12 HA PHE 12 -8.599 -7.693 -1.452 101 HB2 PHE 12 HB2 PHE 12 -6.266 -8.618 -1.829 102 HB3 PHE 12 HB1 PHE 12 -5.640 -7.046 -1.346 103 HD1 PHE 12 HD1 PHE 12 -7.764 -9.853 -0.157 104 HD2 PHE 12 HD2 PHE 12 -5.230 -6.598 0.889 105 HE1 PHE 12 HE1 PHE 12 -7.801 -10.582 2.193 106 HE2 PHE 12 HE2 PHE 12 -5.266 -7.319 3.239 107 HZ PHE 12 HZ PHE 12 -6.549 -9.314 3.894 108 H ARG 13 HN ARG 13 -8.812 -6.435 0.525 109 HA ARG 13 HA ARG 13 -9.510 -3.790 -0.005 110 HB2 ARG 13 HB2 ARG 13 -10.399 -5.233 1.850 111 HB3 ARG 13 HB1 ARG 13 -8.919 -4.896 2.739 112 HG2 ARG 13 HG2 ARG 13 -9.432 -2.522 2.745 113 HG3 ARG 13 HG1 ARG 13 -10.883 -2.817 1.788 114 HD2 ARG 13 HD2 ARG 13 -11.707 -4.274 3.649 115 HD3 ARG 13 HD1 ARG 13 -10.327 -3.734 4.604 116 HE ARG 13 HE ARG 13 -11.759 -1.501 3.601 117 HH11 ARG 13 HH11 ARG 13 -11.928 -4.013 6.056 118 HH12 ARG 13 HH12 ARG 13 -12.977 -3.087 7.096 119 HH21 ARG 13 HH21 ARG 13 -13.108 -0.301 4.964 120 HH22 ARG 13 HH22 ARG 13 -13.637 -0.969 6.476 121 H ARG 14 HN ARG 14 -6.463 -5.081 1.121 122 HA ARG 14 HA ARG 14 -5.496 -2.493 1.978 123 HB2 ARG 14 HB2 ARG 14 -4.086 -5.155 1.748 124 HB3 ARG 14 HB1 ARG 14 -3.375 -3.699 2.435 125 HG2 ARG 14 HG2 ARG 14 -5.132 -3.686 4.159 126 HG3 ARG 14 HG1 ARG 14 -5.774 -5.186 3.491 127 HD2 ARG 14 HD2 ARG 14 -4.393 -5.721 5.374 128 HD3 ARG 14 HD1 ARG 14 -3.573 -6.248 3.906 129 HE ARG 14 HE ARG 14 -2.523 -3.800 4.293 130 HH11 ARG 14 HH11 ARG 14 -2.952 -6.536 6.427 131 HH12 ARG 14 HH12 ARG 14 -1.564 -6.166 7.403 132 HH21 ARG 14 HH21 ARG 14 -0.692 -3.306 5.551 133 HH22 ARG 14 HH22 ARG 14 -0.269 -4.326 6.889 134 H GLU 15 HN GLU 15 -5.776 -4.057 -0.977 135 HA GLU 15 HA GLU 15 -3.381 -2.916 -2.149 136 HB2 GLU 15 HB2 GLU 15 -5.712 -4.326 -3.469 137 HB3 GLU 15 HB1 GLU 15 -4.208 -3.878 -4.259 138 HG2 GLU 15 HG2 GLU 15 -2.986 -5.395 -2.779 139 HG3 GLU 15 HG1 GLU 15 -4.503 -5.858 -2.009 140 H SER 16 HN SER 16 -3.292 -0.867 -2.758 141 HA SER 16 HA SER 16 -5.637 0.775 -2.847 142 HB2 SER 16 HB2 SER 16 -2.799 1.428 -3.681 143 HB3 SER 16 HB1 SER 16 -4.081 2.589 -3.326 144 HG SER 16 HG SER 16 -4.133 1.527 -1.177 145 H TYR 17 HN TYR 17 -6.948 1.046 -4.550 146 HA TYR 17 HA TYR 17 -6.410 -0.080 -7.096 147 HB2 TYR 17 HB2 TYR 17 -8.699 0.290 -6.144 148 HB3 TYR 17 HB1 TYR 17 -8.481 2.017 -6.394 149 HD1 TYR 17 HD1 TYR 17 -8.901 3.001 -8.503 150 HD2 TYR 17 HD2 TYR 17 -8.742 -1.236 -8.149 151 HE1 TYR 17 HE1 TYR 17 -9.799 2.782 -10.783 152 HE2 TYR 17 HE2 TYR 17 -9.635 -1.467 -10.427 153 HH TYR 17 HH TYR 17 -10.986 -0.130 -12.021 154 H SER 18 HN SER 18 -4.874 0.670 -8.372 155 HA SER 18 HA SER 18 -4.015 3.424 -8.226 156 HB2 SER 18 HB2 SER 18 -2.993 1.227 -10.034 157 HB3 SER 18 HB1 SER 18 -2.169 2.728 -9.602 158 HG SER 18 HG SER 18 -2.882 1.380 -7.379 159 H GLY 19 HN GLY 19 -5.531 1.277 -10.599 160 HA2 GLY 19 HA2 GLY 19 -6.910 3.327 -11.928 161 HA3 GLY 19 HA1 GLY 19 -5.408 3.033 -12.794 162 H SER 20 HN SER 20 -6.532 2.295 -14.610 163 HA SER 20 HA SER 20 -7.859 -0.306 -14.256 164 HB2 SER 20 HB2 SER 20 -8.544 1.789 -16.330 165 HB3 SER 20 HB1 SER 20 -9.396 0.271 -16.034 166 HG SER 20 HG SER 20 -9.619 1.237 -13.777 167 H CYS 21 HN CYS 21 -6.996 -1.931 -15.353 168 HA CYS 21 HA CYS 21 -5.107 -1.354 -17.533 169 HB2 CYS 21 HB2 CYS 21 -5.363 -3.656 -15.635 170 HB3 CYS 21 HB1 CYS 21 -4.391 -3.750 -17.102 171 H ASN 22 HN ASN 22 -5.681 -1.944 -19.572 172 HA ASN 22 HA ASN 22 -7.759 -4.010 -19.817 173 HB2 ASN 22 HB2 ASN 22 -8.597 -2.865 -21.840 174 HB3 ASN 22 HB1 ASN 22 -8.762 -1.885 -20.392 175 HD21 ASN 22 HD21 ASN 22 -8.782 -1.035 -23.112 176 HD22 ASN 22 HD22 ASN 22 -7.478 0.087 -23.302 177 H ILE 23 HN ILE 23 -6.915 -5.782 -20.588 178 HA ILE 23 HA ILE 23 -4.789 -5.575 -22.623 179 HB ILE 23 HB ILE 23 -5.063 -7.667 -20.453 180 HG12 ILE 23 HG12 ILE 23 -2.943 -5.543 -20.863 181 HG13 ILE 23 HG11 ILE 23 -4.232 -5.463 -19.665 182 HG21 ILE 23 HG21 ILE 23 -2.989 -8.593 -21.298 183 HG22 ILE 23 HG22 ILE 23 -2.929 -7.368 -22.563 184 HG23 ILE 23 HG23 ILE 23 -4.210 -8.581 -22.567 185 HD11 ILE 23 HD11 ILE 23 -3.321 -7.473 -18.591 186 HD12 ILE 23 HD12 ILE 23 -2.159 -6.148 -18.639 187 HD13 ILE 23 HD13 ILE 23 -2.010 -7.494 -19.770 188 H ASN 24 HN ASN 24 -5.392 -6.349 -24.499 189 HA ASN 24 HA ASN 24 -6.252 -7.675 -26.121 190 HB2 ASN 24 HB2 ASN 24 -6.506 -9.564 -23.788 191 HB3 ASN 24 HB1 ASN 24 -7.047 -10.008 -25.402 192 HD21 ASN 24 HD21 ASN 24 -5.518 -11.680 -25.426 193 HD22 ASN 24 HD22 ASN 24 -3.835 -11.360 -25.711 194 H GLY 25 HN GLY 25 -7.974 -5.956 -24.207 195 HA2 GLY 25 HA2 GLY 25 -10.111 -5.168 -24.905 196 HA3 GLY 25 HA1 GLY 25 -10.485 -6.782 -25.484 197 H ARG 26 HN ARG 26 -9.056 -7.055 -22.480 198 HA ARG 26 HA ARG 26 -11.655 -6.867 -21.118 199 HB2 ARG 26 HB2 ARG 26 -9.582 -9.047 -20.790 200 HB3 ARG 26 HB1 ARG 26 -10.951 -8.818 -19.711 201 HG2 ARG 26 HG2 ARG 26 -12.441 -9.075 -21.721 202 HG3 ARG 26 HG1 ARG 26 -11.007 -9.573 -22.619 203 HD2 ARG 26 HD2 ARG 26 -12.067 -10.910 -20.131 204 HD3 ARG 26 HD1 ARG 26 -12.308 -11.486 -21.778 205 HE ARG 26 HE ARG 26 -9.616 -11.323 -21.590 206 HH11 ARG 26 HH11 ARG 26 -12.067 -12.873 -19.608 207 HH12 ARG 26 HH12 ARG 26 -11.002 -14.134 -19.059 208 HH21 ARG 26 HH21 ARG 26 -8.231 -12.962 -20.871 209 HH22 ARG 26 HH22 ARG 26 -8.811 -14.175 -19.770 210 H ILE 27 HN ILE 27 -11.666 -5.954 -19.123 211 HA ILE 27 HA ILE 27 -9.212 -4.528 -18.465 212 HB ILE 27 HB ILE 27 -11.158 -3.144 -18.782 213 HG12 ILE 27 HG12 ILE 27 -10.440 -3.277 -15.846 214 HG13 ILE 27 HG11 ILE 27 -9.483 -2.478 -17.088 215 HG21 ILE 27 HG21 ILE 27 -12.884 -4.784 -18.207 216 HG22 ILE 27 HG22 ILE 27 -13.117 -3.257 -17.354 217 HG23 ILE 27 HG23 ILE 27 -12.436 -4.647 -16.505 218 HD11 ILE 27 HD11 ILE 27 -11.316 -0.933 -17.513 219 HD12 ILE 27 HD12 ILE 27 -10.799 -0.880 -15.828 220 HD13 ILE 27 HD13 ILE 27 -12.280 -1.730 -16.270 221 H PHE 28 HN PHE 28 -7.967 -5.109 -16.887 222 HA PHE 28 HA PHE 28 -9.020 -6.707 -14.672 223 HB2 PHE 28 HB2 PHE 28 -6.120 -6.202 -15.390 224 HB3 PHE 28 HB1 PHE 28 -6.750 -7.410 -14.275 225 HD1 PHE 28 HD1 PHE 28 -8.191 -9.274 -15.238 226 HD2 PHE 28 HD2 PHE 28 -5.779 -6.717 -17.630 227 HE1 PHE 28 HE1 PHE 28 -8.263 -10.923 -17.064 228 HE2 PHE 28 HE2 PHE 28 -5.844 -8.357 -19.462 229 HZ PHE 28 HZ PHE 28 -7.089 -10.464 -19.178 230 H SER 29 HN SER 29 -8.660 -6.012 -12.546 231 HA SER 29 HA SER 29 -8.657 -3.167 -12.239 232 HB2 SER 29 HB2 SER 29 -8.558 -5.282 -10.076 233 HB3 SER 29 HB1 SER 29 -9.121 -3.616 -9.916 234 HG SER 29 HG SER 29 -10.526 -5.762 -10.592 235 H LEU 30 HN LEU 30 -6.892 -1.941 -12.079 236 HA LEU 30 HA LEU 30 -4.317 -3.146 -11.494 237 HB2 LEU 30 HB2 LEU 30 -4.371 -1.569 -13.302 238 HB3 LEU 30 HB1 LEU 30 -5.150 -0.363 -12.300 239 HG LEU 30 HG LEU 30 -3.070 -0.249 -10.919 240 HD11 LEU 30 HD11 LEU 30 -2.140 -2.427 -11.433 241 HD12 LEU 30 HD12 LEU 30 -1.005 -1.149 -11.871 242 HD13 LEU 30 HD13 LEU 30 -1.945 -1.963 -13.123 243 HD21 LEU 30 HD21 LEU 30 -2.767 0.358 -13.854 244 HD22 LEU 30 HD22 LEU 30 -1.818 1.064 -12.547 245 HD23 LEU 30 HD23 LEU 30 -3.548 1.390 -12.655 246 H CYS 31 HN CYS 31 -4.088 -3.573 -9.378 247 HA CYS 31 HA CYS 31 -4.502 -1.331 -7.511 248 HB2 CYS 31 HB2 CYS 31 -4.974 -4.272 -6.974 249 HB3 CYS 31 HB1 CYS 31 -5.122 -2.982 -5.783 250 H CYS 32 HN CYS 32 -3.029 -1.224 -5.735 251 HA CYS 32 HA CYS 32 -0.513 -2.629 -6.282 252 HB2 CYS 32 HB2 CYS 32 -0.631 -0.122 -6.791 253 HB3 CYS 32 HB1 CYS 32 -0.718 0.112 -5.050 254 H ARG 33 HN ARG 33 -0.066 -4.009 -4.769 255 HA ARG 33 HA ARG 33 -1.125 -3.665 -2.068 256 HB2 ARG 33 HB2 ARG 33 -0.268 -6.057 -1.823 257 HB3 ARG 33 HB1 ARG 33 -1.610 -5.816 -2.935 258 HG2 ARG 33 HG2 ARG 33 0.164 -5.675 -4.768 259 HG3 ARG 33 HG1 ARG 33 1.276 -6.333 -3.569 260 HD2 ARG 33 HD2 ARG 33 -1.321 -7.633 -4.354 261 HD3 ARG 33 HD1 ARG 33 0.234 -8.024 -5.084 262 HE ARG 33 HE ARG 33 0.937 -8.685 -2.787 263 HH11 ARG 33 HH11 ARG 33 -2.466 -8.532 -3.549 264 HH12 ARG 33 HH12 ARG 33 -2.883 -9.886 -2.539 265 HH21 ARG 33 HH21 ARG 33 0.413 -10.453 -1.454 266 HH22 ARG 33 HH22 ARG 33 -1.241 -10.995 -1.347 Start of MODEL 2 1 H1 ARG 1 HT1 ARG 1 0.750 1.261 -3.393 2 H2 ARG 1 HT2 ARG 1 1.464 1.075 -1.869 3 H3 ARG 1 HT3 ARG 1 1.458 -0.218 -2.963 4 HA ARG 1 HA ARG 1 2.824 1.102 -4.494 5 HB2 ARG 1 HB2 ARG 1 2.160 3.302 -3.536 6 HB3 ARG 1 HB1 ARG 1 3.092 2.929 -2.094 7 HG2 ARG 1 HG2 ARG 1 5.126 2.794 -3.493 8 HG3 ARG 1 HG1 ARG 1 4.163 3.295 -4.885 9 HD2 ARG 1 HD2 ARG 1 5.329 5.201 -3.922 10 HD3 ARG 1 HD1 ARG 1 3.585 5.378 -3.720 11 HE ARG 1 HE ARG 1 4.504 4.166 -1.413 12 HH11 ARG 1 HH11 ARG 1 5.063 7.202 -3.080 13 HH12 ARG 1 HH12 ARG 1 5.406 8.077 -1.615 14 HH21 ARG 1 HH21 ARG 1 4.985 5.317 0.496 15 HH22 ARG 1 HH22 ARG 1 5.397 7.004 0.400 16 H ARG 2 HN ARG 2 3.724 -0.929 -4.210 17 HA ARG 2 HA ARG 2 6.208 -1.162 -2.999 18 HB2 ARG 2 HB2 ARG 2 5.040 -1.113 -0.847 19 HB3 ARG 2 HB1 ARG 2 3.971 -2.401 -1.374 20 HG2 ARG 2 HG2 ARG 2 5.545 -3.378 0.081 21 HG3 ARG 2 HG1 ARG 2 5.994 -3.876 -1.549 22 HD2 ARG 2 HD2 ARG 2 7.244 -1.500 -0.203 23 HD3 ARG 2 HD1 ARG 2 7.861 -3.133 0.026 24 HE ARG 2 HE ARG 2 7.773 -1.725 -2.566 25 HH11 ARG 2 HH11 ARG 2 9.148 -4.088 -0.400 26 HH12 ARG 2 HH12 ARG 2 10.508 -4.448 -1.425 27 HH21 ARG 2 HH21 ARG 2 9.548 -2.200 -3.951 28 HH22 ARG 2 HH22 ARG 2 10.722 -3.390 -3.448 29 H THR 3 HN THR 3 3.229 -3.042 -3.468 30 HA THR 3 HA THR 3 4.703 -4.740 -5.376 31 HB THR 3 HB THR 3 2.538 -5.807 -3.560 32 HG1 THR 3 HG1 THR 3 5.361 -5.711 -3.188 33 HG21 THR 3 HG21 THR 3 2.971 -7.032 -5.655 34 HG22 THR 3 HG22 THR 3 3.416 -7.977 -4.234 35 HG23 THR 3 HG23 THR 3 4.665 -7.189 -5.199 36 H CYS 4 HN CYS 4 3.859 -3.877 -7.234 37 HA CYS 4 HA CYS 4 0.955 -3.345 -7.267 38 HB2 CYS 4 HB2 CYS 4 2.950 -2.098 -9.148 39 HB3 CYS 4 HB1 CYS 4 1.333 -1.541 -8.737 40 H ARG 5 HN ARG 5 -0.309 -4.306 -8.751 41 HA ARG 5 HA ARG 5 0.538 -4.787 -11.395 42 HB2 ARG 5 HB2 ARG 5 0.327 -7.203 -11.529 43 HB3 ARG 5 HB1 ARG 5 1.612 -6.767 -10.416 44 HG2 ARG 5 HG2 ARG 5 0.306 -7.356 -8.534 45 HG3 ARG 5 HG1 ARG 5 -1.160 -7.481 -9.511 46 HD2 ARG 5 HD2 ARG 5 1.273 -9.235 -9.830 47 HD3 ARG 5 HD1 ARG 5 -0.178 -9.686 -8.933 48 HE ARG 5 HE ARG 5 -1.374 -9.363 -11.124 49 HH11 ARG 5 HH11 ARG 5 2.045 -10.145 -11.060 50 HH12 ARG 5 HH12 ARG 5 1.996 -11.009 -12.565 51 HH21 ARG 5 HH21 ARG 5 -1.431 -10.514 -13.106 52 HH22 ARG 5 HH22 ARG 5 0.042 -11.217 -13.720 53 H CYS 6 HN CYS 6 -1.182 -5.306 -12.775 54 HA CYS 6 HA CYS 6 -3.756 -4.539 -11.803 55 HB2 CYS 6 HB2 CYS 6 -3.432 -5.693 -14.498 56 HB3 CYS 6 HB1 CYS 6 -4.124 -4.147 -14.005 57 H ARG 7 HN ARG 7 -5.388 -5.861 -11.167 58 HA ARG 7 HA ARG 7 -5.180 -8.718 -11.854 59 HB2 ARG 7 HB2 ARG 7 -6.216 -9.218 -9.652 60 HB3 ARG 7 HB1 ARG 7 -4.627 -8.478 -9.518 61 HG2 ARG 7 HG2 ARG 7 -5.530 -6.411 -8.843 62 HG3 ARG 7 HG1 ARG 7 -7.161 -6.877 -9.332 63 HD2 ARG 7 HD2 ARG 7 -5.587 -8.183 -7.118 64 HD3 ARG 7 HD1 ARG 7 -6.815 -6.939 -6.883 65 HE ARG 7 HE ARG 7 -8.058 -8.899 -8.342 66 HH11 ARG 7 HH11 ARG 7 -6.496 -8.665 -5.220 67 HH12 ARG 7 HH12 ARG 7 -7.383 -10.002 -4.544 68 HH21 ARG 7 HH21 ARG 7 -9.262 -10.628 -7.436 69 HH22 ARG 7 HH22 ARG 7 -8.960 -11.097 -5.785 70 H PHE 8 HN PHE 8 -7.105 -9.838 -12.201 71 HA PHE 8 HA PHE 8 -9.132 -8.258 -13.427 72 HB2 PHE 8 HB2 PHE 8 -10.237 -10.428 -13.889 73 HB3 PHE 8 HB1 PHE 8 -8.550 -10.404 -14.387 74 HD1 PHE 8 HD1 PHE 8 -6.897 -11.743 -13.238 75 HD2 PHE 8 HD2 PHE 8 -10.983 -11.827 -12.067 76 HE1 PHE 8 HE1 PHE 8 -6.481 -13.797 -11.950 77 HE2 PHE 8 HE2 PHE 8 -10.575 -13.876 -10.773 78 HZ PHE 8 HZ PHE 8 -8.323 -14.865 -10.711 79 H GLY 9 HN GLY 9 -11.324 -8.115 -12.906 80 HA2 GLY 9 HA2 GLY 9 -13.167 -7.964 -11.547 81 HA3 GLY 9 HA1 GLY 9 -12.451 -9.207 -10.533 82 H ARG 10 HN ARG 10 -13.268 -8.055 -8.711 83 HA ARG 10 HA ARG 10 -12.299 -5.454 -8.041 84 HB2 ARG 10 HB2 ARG 10 -13.138 -5.990 -5.751 85 HB3 ARG 10 HB1 ARG 10 -14.345 -6.224 -7.007 86 HG2 ARG 10 HG2 ARG 10 -14.449 -8.457 -6.685 87 HG3 ARG 10 HG1 ARG 10 -12.736 -8.591 -6.289 88 HD2 ARG 10 HD2 ARG 10 -14.221 -9.100 -4.379 89 HD3 ARG 10 HD1 ARG 10 -13.132 -7.751 -4.069 90 HE ARG 10 HE ARG 10 -15.700 -6.916 -5.037 91 HH11 ARG 10 HH11 ARG 10 -13.968 -7.961 -2.184 92 HH12 ARG 10 HH12 ARG 10 -14.943 -7.031 -1.084 93 HH21 ARG 10 HH21 ARG 10 -17.006 -5.702 -3.590 94 HH22 ARG 10 HH22 ARG 10 -16.674 -5.758 -1.884 95 H CYS 11 HN CYS 11 -10.841 -4.987 -6.258 96 HA CYS 11 HA CYS 11 -8.656 -6.928 -6.102 97 HB2 CYS 11 HB2 CYS 11 -8.733 -4.008 -5.308 98 HB3 CYS 11 HB1 CYS 11 -7.312 -5.045 -5.264 99 H PHE 12 HN PHE 12 -7.520 -6.992 -3.912 100 HA PHE 12 HA PHE 12 -9.498 -7.547 -1.889 101 HB2 PHE 12 HB2 PHE 12 -7.395 -8.911 -2.276 102 HB3 PHE 12 HB1 PHE 12 -6.491 -7.573 -1.577 103 HD1 PHE 12 HD1 PHE 12 -9.436 -9.721 -0.787 104 HD2 PHE 12 HD2 PHE 12 -5.992 -7.682 0.666 105 HE1 PHE 12 HE1 PHE 12 -9.845 -10.635 1.460 106 HE2 PHE 12 HE2 PHE 12 -6.398 -8.594 2.913 107 HZ PHE 12 HZ PHE 12 -8.323 -10.071 3.312 108 H ARG 13 HN ARG 13 -9.405 -6.558 0.274 109 HA ARG 13 HA ARG 13 -9.623 -3.768 -0.048 110 HB2 ARG 13 HB2 ARG 13 -10.346 -3.690 2.214 111 HB3 ARG 13 HB1 ARG 13 -10.986 -5.163 1.503 112 HG2 ARG 13 HG2 ARG 13 -9.147 -6.425 2.584 113 HG3 ARG 13 HG1 ARG 13 -8.644 -4.930 3.378 114 HD2 ARG 13 HD2 ARG 13 -11.070 -4.809 4.221 115 HD3 ARG 13 HD1 ARG 13 -11.167 -6.508 3.758 116 HE ARG 13 HE ARG 13 -8.955 -5.737 5.491 117 HH11 ARG 13 HH11 ARG 13 -12.115 -7.221 5.177 118 HH12 ARG 13 HH12 ARG 13 -12.067 -7.938 6.757 119 HH21 ARG 13 HH21 ARG 13 -8.881 -6.686 7.560 120 HH22 ARG 13 HH22 ARG 13 -10.232 -7.620 8.130 121 H ARG 14 HN ARG 14 -6.893 -5.657 0.685 122 HA ARG 14 HA ARG 14 -5.505 -3.549 2.126 123 HB2 ARG 14 HB2 ARG 14 -4.540 -6.215 1.080 124 HB3 ARG 14 HB1 ARG 14 -3.547 -5.089 1.991 125 HG2 ARG 14 HG2 ARG 14 -5.129 -5.304 3.889 126 HG3 ARG 14 HG1 ARG 14 -5.995 -6.541 2.970 127 HD2 ARG 14 HD2 ARG 14 -3.935 -7.876 2.855 128 HD3 ARG 14 HD1 ARG 14 -3.097 -6.649 3.802 129 HE ARG 14 HE ARG 14 -5.465 -7.790 5.041 130 HH11 ARG 14 HH11 ARG 14 -1.975 -7.875 4.699 131 HH12 ARG 14 HH12 ARG 14 -1.721 -8.765 6.172 132 HH21 ARG 14 HH21 ARG 14 -5.136 -8.959 6.976 133 HH22 ARG 14 HH22 ARG 14 -3.524 -9.399 7.460 134 H GLU 15 HN GLU 15 -6.144 -4.296 -1.085 135 HA GLU 15 HA GLU 15 -3.580 -3.330 -2.091 136 HB2 GLU 15 HB2 GLU 15 -5.935 -4.371 -3.672 137 HB3 GLU 15 HB1 GLU 15 -4.280 -4.166 -4.235 138 HG2 GLU 15 HG2 GLU 15 -3.549 -5.887 -2.636 139 HG3 GLU 15 HG1 GLU 15 -5.226 -6.124 -2.153 140 H SER 16 HN SER 16 -3.311 -1.275 -2.611 141 HA SER 16 HA SER 16 -5.506 0.566 -2.562 142 HB2 SER 16 HB2 SER 16 -2.631 1.046 -3.394 143 HB3 SER 16 HB1 SER 16 -3.813 2.276 -2.942 144 HG SER 16 HG SER 16 -3.472 0.285 -1.072 145 H TYR 17 HN TYR 17 -6.653 1.353 -4.232 146 HA TYR 17 HA TYR 17 -6.404 0.090 -6.791 147 HB2 TYR 17 HB2 TYR 17 -8.475 1.165 -5.396 148 HB3 TYR 17 HB1 TYR 17 -8.134 2.479 -6.512 149 HD1 TYR 17 HD1 TYR 17 -9.879 -0.545 -6.033 150 HD2 TYR 17 HD2 TYR 17 -7.999 1.800 -9.048 151 HE1 TYR 17 HE1 TYR 17 -11.219 -1.685 -7.744 152 HE2 TYR 17 HE2 TYR 17 -9.338 0.659 -10.772 153 HH TYR 17 HH TYR 17 -10.536 -1.620 -10.979 154 H SER 18 HN SER 18 -4.733 0.691 -8.043 155 HA SER 18 HA SER 18 -3.813 3.426 -8.145 156 HB2 SER 18 HB2 SER 18 -2.954 1.064 -9.836 157 HB3 SER 18 HB1 SER 18 -2.091 2.590 -9.636 158 HG SER 18 HG SER 18 -1.694 2.075 -7.503 159 H GLY 19 HN GLY 19 -5.172 1.108 -10.476 160 HA2 GLY 19 HA2 GLY 19 -6.815 2.977 -11.795 161 HA3 GLY 19 HA1 GLY 19 -5.288 2.864 -12.661 162 H SER 20 HN SER 20 -5.774 1.718 -14.467 163 HA SER 20 HA SER 20 -6.790 -0.994 -14.064 164 HB2 SER 20 HB2 SER 20 -8.338 -0.768 -15.970 165 HB3 SER 20 HB1 SER 20 -8.749 0.354 -14.675 166 HG SER 20 HG SER 20 -7.832 0.845 -17.246 167 H CYS 21 HN CYS 21 -6.079 -2.502 -15.569 168 HA CYS 21 HA CYS 21 -4.195 -1.519 -17.600 169 HB2 CYS 21 HB2 CYS 21 -4.100 -4.064 -16.014 170 HB3 CYS 21 HB1 CYS 21 -3.070 -3.724 -17.400 171 H ASN 22 HN ASN 22 -4.674 -2.032 -19.662 172 HA ASN 22 HA ASN 22 -6.940 -3.843 -20.089 173 HB2 ASN 22 HB2 ASN 22 -7.015 -1.518 -21.039 174 HB3 ASN 22 HB1 ASN 22 -5.675 -1.962 -22.091 175 HD21 ASN 22 HD21 ASN 22 -9.037 -2.345 -21.420 176 HD22 ASN 22 HD22 ASN 22 -9.457 -3.148 -22.892 177 H ILE 23 HN ILE 23 -6.180 -5.866 -20.187 178 HA ILE 23 HA ILE 23 -4.143 -6.456 -22.242 179 HB ILE 23 HB ILE 23 -4.394 -7.886 -19.584 180 HG12 ILE 23 HG12 ILE 23 -2.182 -6.028 -20.480 181 HG13 ILE 23 HG11 ILE 23 -3.480 -5.567 -19.382 182 HG21 ILE 23 HG21 ILE 23 -2.286 -8.976 -20.242 183 HG22 ILE 23 HG22 ILE 23 -2.375 -8.165 -21.806 184 HG23 ILE 23 HG23 ILE 23 -3.609 -9.340 -21.351 185 HD11 ILE 23 HD11 ILE 23 -1.451 -6.102 -18.167 186 HD12 ILE 23 HD12 ILE 23 -1.422 -7.710 -18.895 187 HD13 ILE 23 HD13 ILE 23 -2.724 -7.261 -17.792 188 H ASN 24 HN ASN 24 -4.776 -8.008 -23.661 189 HA ASN 24 HA ASN 24 -5.913 -9.740 -24.610 190 HB2 ASN 24 HB2 ASN 24 -5.297 -10.935 -22.525 191 HB3 ASN 24 HB1 ASN 24 -6.779 -10.366 -21.773 192 HD21 ASN 24 HD21 ASN 24 -5.409 -12.494 -24.166 193 HD22 ASN 24 HD22 ASN 24 -6.799 -13.519 -24.331 194 H GLY 25 HN GLY 25 -7.197 -7.060 -23.643 195 HA2 GLY 25 HA2 GLY 25 -9.213 -6.062 -24.243 196 HA3 GLY 25 HA1 GLY 25 -9.852 -7.653 -24.636 197 H ARG 26 HN ARG 26 -8.345 -7.631 -21.647 198 HA ARG 26 HA ARG 26 -10.936 -7.435 -20.281 199 HB2 ARG 26 HB2 ARG 26 -8.499 -9.122 -19.723 200 HB3 ARG 26 HB1 ARG 26 -9.749 -8.860 -18.515 201 HG2 ARG 26 HG2 ARG 26 -11.385 -9.944 -19.853 202 HG3 ARG 26 HG1 ARG 26 -10.299 -9.999 -21.242 203 HD2 ARG 26 HD2 ARG 26 -10.521 -12.166 -20.061 204 HD3 ARG 26 HD1 ARG 26 -8.867 -11.566 -20.134 205 HE ARG 26 HE ARG 26 -9.063 -10.961 -17.804 206 HH11 ARG 26 HH11 ARG 26 -11.649 -12.954 -19.054 207 HH12 ARG 26 HH12 ARG 26 -11.994 -13.699 -17.517 208 HH21 ARG 26 HH21 ARG 26 -9.491 -11.952 -15.782 209 HH22 ARG 26 HH22 ARG 26 -10.769 -13.120 -15.653 210 H ILE 27 HN ILE 27 -11.098 -6.164 -18.489 211 HA ILE 27 HA ILE 27 -8.908 -4.273 -18.182 212 HB ILE 27 HB ILE 27 -11.063 -3.283 -18.577 213 HG12 ILE 27 HG12 ILE 27 -10.135 -2.887 -15.731 214 HG13 ILE 27 HG11 ILE 27 -9.486 -2.095 -17.161 215 HG21 ILE 27 HG21 ILE 27 -12.533 -5.003 -17.736 216 HG22 ILE 27 HG22 ILE 27 -12.908 -3.463 -16.963 217 HG23 ILE 27 HG23 ILE 27 -11.997 -4.691 -16.085 218 HD11 ILE 27 HD11 ILE 27 -12.282 -1.773 -16.093 219 HD12 ILE 27 HD12 ILE 27 -11.618 -0.974 -17.518 220 HD13 ILE 27 HD13 ILE 27 -10.962 -0.618 -15.920 221 H PHE 28 HN PHE 28 -7.415 -5.091 -16.888 222 HA PHE 28 HA PHE 28 -8.136 -6.411 -14.411 223 HB2 PHE 28 HB2 PHE 28 -5.434 -5.722 -15.589 224 HB3 PHE 28 HB1 PHE 28 -5.691 -6.681 -14.137 225 HD1 PHE 28 HD1 PHE 28 -5.778 -6.642 -17.772 226 HD2 PHE 28 HD2 PHE 28 -6.604 -8.942 -14.286 227 HE1 PHE 28 HE1 PHE 28 -5.904 -8.676 -19.146 228 HE2 PHE 28 HE2 PHE 28 -6.733 -10.980 -15.658 229 HZ PHE 28 HZ PHE 28 -6.383 -10.847 -18.092 230 H SER 29 HN SER 29 -8.609 -5.231 -12.688 231 HA SER 29 HA SER 29 -8.116 -2.495 -12.376 232 HB2 SER 29 HB2 SER 29 -8.527 -4.547 -10.185 233 HB3 SER 29 HB1 SER 29 -8.827 -2.813 -10.074 234 HG SER 29 HG SER 29 -10.493 -4.712 -10.872 235 H LEU 30 HN LEU 30 -6.169 -1.593 -12.274 236 HA LEU 30 HA LEU 30 -3.847 -3.017 -11.383 237 HB2 LEU 30 HB2 LEU 30 -3.616 -1.357 -13.124 238 HB3 LEU 30 HB1 LEU 30 -4.297 -0.116 -12.093 239 HG LEU 30 HG LEU 30 -2.320 -0.265 -10.624 240 HD11 LEU 30 HD11 LEU 30 -1.281 -2.180 -12.705 241 HD12 LEU 30 HD12 LEU 30 -1.689 -2.573 -11.034 242 HD13 LEU 30 HD13 LEU 30 -0.341 -1.488 -11.382 243 HD21 LEU 30 HD21 LEU 30 -1.688 0.222 -13.531 244 HD22 LEU 30 HD22 LEU 30 -0.754 0.813 -12.157 245 HD23 LEU 30 HD23 LEU 30 -2.402 1.386 -12.416 246 H CYS 31 HN CYS 31 -3.834 -3.541 -9.285 247 HA CYS 31 HA CYS 31 -4.188 -1.350 -7.360 248 HB2 CYS 31 HB2 CYS 31 -5.043 -4.236 -7.080 249 HB3 CYS 31 HB1 CYS 31 -5.037 -3.073 -5.757 250 H CYS 32 HN CYS 32 -2.660 -1.157 -5.808 251 HA CYS 32 HA CYS 32 -0.439 -3.074 -5.943 252 HB2 CYS 32 HB2 CYS 32 0.127 -0.991 -7.116 253 HB3 CYS 32 HB1 CYS 32 -0.294 -0.063 -5.679 254 H ARG 33 HN ARG 33 0.215 -3.865 -4.054 255 HA ARG 33 HA ARG 33 -1.039 -3.058 -1.606 256 HB2 ARG 33 HB2 ARG 33 1.159 -5.032 -2.245 257 HB3 ARG 33 HB1 ARG 33 0.691 -4.668 -0.591 258 HG2 ARG 33 HG2 ARG 33 -0.510 -6.583 -1.088 259 HG3 ARG 33 HG1 ARG 33 -1.682 -5.289 -1.327 260 HD2 ARG 33 HD2 ARG 33 -1.979 -6.700 -3.168 261 HD3 ARG 33 HD1 ARG 33 -1.007 -5.366 -3.788 262 HE ARG 33 HE ARG 33 0.853 -7.188 -3.062 263 HH11 ARG 33 HH11 ARG 33 -2.039 -7.407 -5.032 264 HH12 ARG 33 HH12 ARG 33 -1.404 -8.673 -6.044 265 HH21 ARG 33 HH21 ARG 33 1.674 -8.892 -4.373 266 HH22 ARG 33 HH22 ARG 33 0.700 -9.519 -5.669 Start of MODEL 3 1 H1 ARG 1 HT1 ARG 1 1.648 -1.939 -0.073 2 H2 ARG 1 HT2 ARG 1 0.774 -0.485 -0.094 3 H3 ARG 1 HT3 ARG 1 2.386 -0.495 0.443 4 HA ARG 1 HA ARG 1 1.476 -1.116 -2.309 5 HB2 ARG 1 HB2 ARG 1 1.310 1.295 -1.543 6 HB3 ARG 1 HB1 ARG 1 3.056 1.271 -1.343 7 HG2 ARG 1 HG2 ARG 1 3.299 0.736 -3.738 8 HG3 ARG 1 HG1 ARG 1 1.547 0.851 -3.917 9 HD2 ARG 1 HD2 ARG 1 3.454 3.048 -3.126 10 HD3 ARG 1 HD1 ARG 1 2.514 2.931 -4.613 11 HE ARG 1 HE ARG 1 0.591 2.930 -2.739 12 HH11 ARG 1 HH11 ARG 1 3.349 5.012 -3.278 13 HH12 ARG 1 HH12 ARG 1 2.625 6.400 -2.527 14 HH21 ARG 1 HH21 ARG 1 -0.390 4.762 -1.762 15 HH22 ARG 1 HH22 ARG 1 0.494 6.258 -1.666 16 H ARG 2 HN ARG 2 2.742 -3.095 -1.977 17 HA ARG 2 HA ARG 2 5.630 -2.567 -2.264 18 HB2 ARG 2 HB2 ARG 2 5.250 -3.717 -0.181 19 HB3 ARG 2 HB1 ARG 2 4.227 -4.909 -0.966 20 HG2 ARG 2 HG2 ARG 2 6.261 -5.997 -0.591 21 HG3 ARG 2 HG1 ARG 2 6.276 -5.575 -2.302 22 HD2 ARG 2 HD2 ARG 2 7.634 -4.004 -0.117 23 HD3 ARG 2 HD1 ARG 2 8.435 -5.162 -1.172 24 HE ARG 2 HE ARG 2 7.128 -2.736 -2.219 25 HH11 ARG 2 HH11 ARG 2 9.861 -4.916 -2.060 26 HH12 ARG 2 HH12 ARG 2 10.815 -4.005 -3.193 27 HH21 ARG 2 HH21 ARG 2 8.352 -1.555 -3.727 28 HH22 ARG 2 HH22 ARG 2 9.958 -2.088 -4.150 29 H THR 3 HN THR 3 2.909 -4.642 -3.230 30 HA THR 3 HA THR 3 4.474 -5.382 -5.626 31 HB THR 3 HB THR 3 2.442 -7.183 -4.302 32 HG1 THR 3 HG1 THR 3 4.029 -7.222 -2.826 33 HG21 THR 3 HG21 THR 3 2.844 -7.651 -6.657 34 HG22 THR 3 HG22 THR 3 3.564 -8.918 -5.661 35 HG23 THR 3 HG23 THR 3 4.585 -7.671 -6.376 36 H CYS 4 HN CYS 4 3.579 -4.166 -7.181 37 HA CYS 4 HA CYS 4 0.671 -3.807 -7.156 38 HB2 CYS 4 HB2 CYS 4 2.586 -2.447 -9.045 39 HB3 CYS 4 HB1 CYS 4 0.999 -1.904 -8.517 40 H ARG 5 HN ARG 5 -0.615 -4.725 -8.660 41 HA ARG 5 HA ARG 5 0.197 -5.256 -11.312 42 HB2 ARG 5 HB2 ARG 5 0.072 -7.664 -11.378 43 HB3 ARG 5 HB1 ARG 5 1.313 -7.199 -10.226 44 HG2 ARG 5 HG2 ARG 5 0.203 -8.082 -8.474 45 HG3 ARG 5 HG1 ARG 5 -1.383 -7.643 -9.117 46 HD2 ARG 5 HD2 ARG 5 0.356 -9.894 -10.124 47 HD3 ARG 5 HD1 ARG 5 -1.056 -10.079 -9.078 48 HE ARG 5 HE ARG 5 -2.191 -8.835 -11.080 49 HH11 ARG 5 HH11 ARG 5 0.252 -11.346 -11.285 50 HH12 ARG 5 HH12 ARG 5 -0.328 -11.943 -12.815 51 HH21 ARG 5 HH21 ARG 5 -2.922 -9.595 -13.081 52 HH22 ARG 5 HH22 ARG 5 -2.132 -10.947 -13.841 53 H CYS 6 HN CYS 6 -1.574 -5.799 -12.637 54 HA CYS 6 HA CYS 6 -4.110 -5.114 -11.462 55 HB2 CYS 6 HB2 CYS 6 -3.762 -5.916 -14.305 56 HB3 CYS 6 HB1 CYS 6 -4.649 -4.553 -13.615 57 H ARG 7 HN ARG 7 -5.643 -6.534 -10.837 58 HA ARG 7 HA ARG 7 -5.495 -9.301 -11.863 59 HB2 ARG 7 HB2 ARG 7 -6.487 -10.035 -9.737 60 HB3 ARG 7 HB1 ARG 7 -4.976 -9.178 -9.471 61 HG2 ARG 7 HG2 ARG 7 -6.310 -7.134 -8.958 62 HG3 ARG 7 HG1 ARG 7 -7.764 -8.129 -9.034 63 HD2 ARG 7 HD2 ARG 7 -5.439 -8.487 -7.145 64 HD3 ARG 7 HD1 ARG 7 -7.026 -7.842 -6.733 65 HE ARG 7 HE ARG 7 -7.335 -10.408 -7.839 66 HH11 ARG 7 HH11 ARG 7 -6.190 -8.813 -4.928 67 HH12 ARG 7 HH12 ARG 7 -6.438 -10.215 -3.926 68 HH21 ARG 7 HH21 ARG 7 -7.690 -12.231 -6.513 69 HH22 ARG 7 HH22 ARG 7 -7.276 -12.159 -4.820 70 H PHE 8 HN PHE 8 -7.367 -10.262 -12.623 71 HA PHE 8 HA PHE 8 -9.432 -8.410 -13.408 72 HB2 PHE 8 HB2 PHE 8 -8.598 -10.167 -14.949 73 HB3 PHE 8 HB1 PHE 8 -9.263 -11.394 -13.879 74 HD1 PHE 8 HD1 PHE 8 -10.173 -8.535 -16.044 75 HD2 PHE 8 HD2 PHE 8 -11.505 -12.053 -14.051 76 HE1 PHE 8 HE1 PHE 8 -12.314 -8.404 -17.252 77 HE2 PHE 8 HE2 PHE 8 -13.648 -11.927 -15.248 78 HZ PHE 8 HZ PHE 8 -14.055 -10.105 -16.851 79 H GLY 9 HN GLY 9 -11.036 -7.888 -12.123 80 HA2 GLY 9 HA2 GLY 9 -13.092 -8.852 -11.060 81 HA3 GLY 9 HA1 GLY 9 -11.979 -9.882 -10.163 82 H ARG 10 HN ARG 10 -12.312 -9.186 -8.127 83 HA ARG 10 HA ARG 10 -12.161 -6.306 -7.610 84 HB2 ARG 10 HB2 ARG 10 -13.088 -6.850 -5.383 85 HB3 ARG 10 HB1 ARG 10 -14.133 -7.393 -6.689 86 HG2 ARG 10 HG2 ARG 10 -13.336 -9.667 -6.415 87 HG3 ARG 10 HG1 ARG 10 -12.224 -9.139 -5.151 88 HD2 ARG 10 HD2 ARG 10 -14.113 -8.430 -3.776 89 HD3 ARG 10 HD1 ARG 10 -15.232 -8.939 -5.042 90 HE ARG 10 HE ARG 10 -13.919 -11.209 -4.596 91 HH11 ARG 10 HH11 ARG 10 -15.241 -8.888 -2.329 92 HH12 ARG 10 HH12 ARG 10 -15.551 -10.072 -1.102 93 HH21 ARG 10 HH21 ARG 10 -14.372 -12.772 -3.005 94 HH22 ARG 10 HH22 ARG 10 -15.092 -12.289 -1.495 95 H CYS 11 HN CYS 11 -11.088 -5.750 -5.467 96 HA CYS 11 HA CYS 11 -8.652 -7.352 -5.069 97 HB2 CYS 11 HB2 CYS 11 -8.848 -4.329 -5.101 98 HB3 CYS 11 HB1 CYS 11 -7.398 -5.257 -4.740 99 H PHE 12 HN PHE 12 -7.567 -6.630 -2.937 100 HA PHE 12 HA PHE 12 -9.610 -6.348 -0.863 101 HB2 PHE 12 HB2 PHE 12 -6.648 -6.959 -0.679 102 HB3 PHE 12 HB1 PHE 12 -7.732 -6.847 0.704 103 HD1 PHE 12 HD1 PHE 12 -9.358 -8.576 1.155 104 HD2 PHE 12 HD2 PHE 12 -6.732 -8.853 -2.182 105 HE1 PHE 12 HE1 PHE 12 -9.925 -10.959 0.912 106 HE2 PHE 12 HE2 PHE 12 -7.296 -11.233 -2.433 107 HZ PHE 12 HZ PHE 12 -8.892 -12.289 -0.887 108 H ARG 13 HN ARG 13 -9.043 -4.794 0.988 109 HA ARG 13 HA ARG 13 -8.610 -2.230 -0.201 110 HB2 ARG 13 HB2 ARG 13 -10.217 -2.605 1.652 111 HB3 ARG 13 HB1 ARG 13 -8.862 -2.896 2.735 112 HG2 ARG 13 HG2 ARG 13 -8.102 -0.655 2.519 113 HG3 ARG 13 HG1 ARG 13 -9.232 -0.334 1.204 114 HD2 ARG 13 HD2 ARG 13 -10.012 0.652 3.286 115 HD3 ARG 13 HD1 ARG 13 -11.104 -0.620 2.743 116 HE ARG 13 HE ARG 13 -9.298 -1.798 4.488 117 HH11 ARG 13 HH11 ARG 13 -11.708 0.739 4.616 118 HH12 ARG 13 HH12 ARG 13 -12.154 0.417 6.268 119 HH21 ARG 13 HH21 ARG 13 -9.862 -2.217 6.656 120 HH22 ARG 13 HH22 ARG 13 -11.102 -1.278 7.428 121 H ARG 14 HN ARG 14 -6.563 -4.494 1.439 122 HA ARG 14 HA ARG 14 -4.478 -2.767 2.213 123 HB2 ARG 14 HB2 ARG 14 -4.489 -5.053 2.993 124 HB3 ARG 14 HB1 ARG 14 -4.415 -5.667 1.348 125 HG2 ARG 14 HG2 ARG 14 -2.173 -4.806 1.083 126 HG3 ARG 14 HG1 ARG 14 -2.244 -4.056 2.677 127 HD2 ARG 14 HD2 ARG 14 -2.502 -7.021 2.198 128 HD3 ARG 14 HD1 ARG 14 -0.983 -6.216 2.591 129 HE ARG 14 HE ARG 14 -2.842 -5.484 4.535 130 HH11 ARG 14 HH11 ARG 14 -1.174 -8.357 3.439 131 HH12 ARG 14 HH12 ARG 14 -1.205 -9.121 4.993 132 HH21 ARG 14 HH21 ARG 14 -2.895 -6.493 6.582 133 HH22 ARG 14 HH22 ARG 14 -2.184 -8.067 6.785 134 H GLU 15 HN GLU 15 -5.257 -4.331 -0.837 135 HA GLU 15 HA GLU 15 -2.969 -3.070 -2.130 136 HB2 GLU 15 HB2 GLU 15 -3.993 -4.333 -4.170 137 HB3 GLU 15 HB1 GLU 15 -3.142 -5.241 -2.929 138 HG2 GLU 15 HG2 GLU 15 -5.419 -5.631 -1.876 139 HG3 GLU 15 HG1 GLU 15 -6.097 -5.026 -3.386 140 H SER 16 HN SER 16 -3.194 -1.084 -2.841 141 HA SER 16 HA SER 16 -5.804 0.116 -2.970 142 HB2 SER 16 HB2 SER 16 -3.088 1.301 -3.581 143 HB3 SER 16 HB1 SER 16 -4.582 2.203 -3.322 144 HG SER 16 HG SER 16 -4.225 0.539 -1.269 145 H TYR 17 HN TYR 17 -7.017 0.407 -4.698 146 HA TYR 17 HA TYR 17 -6.284 -0.553 -7.267 147 HB2 TYR 17 HB2 TYR 17 -8.602 -0.547 -6.387 148 HB3 TYR 17 HB1 TYR 17 -8.605 1.208 -6.429 149 HD1 TYR 17 HD1 TYR 17 -8.502 -1.828 -8.539 150 HD2 TYR 17 HD2 TYR 17 -9.124 2.379 -8.432 151 HE1 TYR 17 HE1 TYR 17 -9.415 -1.908 -10.819 152 HE2 TYR 17 HE2 TYR 17 -10.030 2.307 -10.718 153 HH TYR 17 HH TYR 17 -10.015 0.922 -12.679 154 H SER 18 HN SER 18 -4.753 0.449 -8.375 155 HA SER 18 HA SER 18 -4.381 3.312 -8.208 156 HB2 SER 18 HB2 SER 18 -2.918 1.295 -9.921 157 HB3 SER 18 HB1 SER 18 -2.383 2.926 -9.507 158 HG SER 18 HG SER 18 -2.993 1.368 -7.328 159 H GLY 19 HN GLY 19 -5.416 0.928 -10.608 160 HA2 GLY 19 HA2 GLY 19 -7.080 2.701 -12.000 161 HA3 GLY 19 HA1 GLY 19 -5.528 2.651 -12.825 162 H SER 20 HN SER 20 -6.522 1.721 -14.652 163 HA SER 20 HA SER 20 -7.438 -1.054 -14.263 164 HB2 SER 20 HB2 SER 20 -9.141 0.597 -15.107 165 HB3 SER 20 HB1 SER 20 -8.157 0.779 -16.558 166 HG SER 20 HG SER 20 -9.697 -1.376 -15.697 167 H CYS 21 HN CYS 21 -6.879 -2.606 -15.900 168 HA CYS 21 HA CYS 21 -4.502 -1.903 -17.481 169 HB2 CYS 21 HB2 CYS 21 -4.797 -4.225 -15.621 170 HB3 CYS 21 HB1 CYS 21 -3.526 -4.089 -16.834 171 H ASN 22 HN ASN 22 -5.072 -2.263 -19.557 172 HA ASN 22 HA ASN 22 -6.806 -4.483 -20.263 173 HB2 ASN 22 HB2 ASN 22 -6.946 -2.336 -21.505 174 HB3 ASN 22 HB1 ASN 22 -5.292 -2.569 -22.061 175 HD21 ASN 22 HD21 ASN 22 -5.779 -2.678 -24.223 176 HD22 ASN 22 HD22 ASN 22 -6.671 -3.984 -24.922 177 H ILE 23 HN ILE 23 -5.838 -6.448 -20.043 178 HA ILE 23 HA ILE 23 -3.231 -6.786 -21.365 179 HB ILE 23 HB ILE 23 -3.936 -7.965 -18.671 180 HG12 ILE 23 HG12 ILE 23 -1.937 -5.812 -19.414 181 HG13 ILE 23 HG11 ILE 23 -3.454 -5.550 -18.558 182 HG21 ILE 23 HG21 ILE 23 -2.545 -9.467 -19.958 183 HG22 ILE 23 HG22 ILE 23 -1.592 -8.735 -18.667 184 HG23 ILE 23 HG23 ILE 23 -1.423 -8.157 -20.325 185 HD11 ILE 23 HD11 ILE 23 -1.544 -5.534 -17.047 186 HD12 ILE 23 HD12 ILE 23 -1.123 -7.172 -17.552 187 HD13 ILE 23 HD13 ILE 23 -2.632 -6.873 -16.690 188 H ASN 24 HN ASN 24 -3.756 -7.977 -23.049 189 HA ASN 24 HA ASN 24 -4.341 -9.758 -24.305 190 HB2 ASN 24 HB2 ASN 24 -3.854 -11.202 -21.696 191 HB3 ASN 24 HB1 ASN 24 -4.085 -12.011 -23.245 192 HD21 ASN 24 HD21 ASN 24 -2.545 -11.642 -24.910 193 HD22 ASN 24 HD22 ASN 24 -0.918 -11.182 -24.519 194 H GLY 25 HN GLY 25 -6.553 -8.469 -23.914 195 HA2 GLY 25 HA2 GLY 25 -8.741 -8.987 -24.507 196 HA3 GLY 25 HA1 GLY 25 -8.449 -10.650 -24.036 197 H ARG 26 HN ARG 26 -7.406 -9.112 -21.402 198 HA ARG 26 HA ARG 26 -10.107 -8.997 -20.240 199 HB2 ARG 26 HB2 ARG 26 -7.568 -10.028 -18.972 200 HB3 ARG 26 HB1 ARG 26 -9.064 -9.750 -18.094 201 HG2 ARG 26 HG2 ARG 26 -10.164 -11.399 -19.611 202 HG3 ARG 26 HG1 ARG 26 -8.568 -11.756 -20.277 203 HD2 ARG 26 HD2 ARG 26 -7.783 -12.367 -18.032 204 HD3 ARG 26 HD1 ARG 26 -9.392 -12.046 -17.390 205 HE ARG 26 HE ARG 26 -9.219 -14.010 -19.528 206 HH11 ARG 26 HH11 ARG 26 -9.427 -13.405 -16.086 207 HH12 ARG 26 HH12 ARG 26 -9.956 -15.008 -15.702 208 HH21 ARG 26 HH21 ARG 26 -9.901 -16.130 -19.024 209 HH22 ARG 26 HH22 ARG 26 -10.212 -16.569 -17.370 210 H ILE 27 HN ILE 27 -10.568 -7.344 -18.874 211 HA ILE 27 HA ILE 27 -8.536 -5.259 -18.665 212 HB ILE 27 HB ILE 27 -10.590 -4.515 -19.675 213 HG12 ILE 27 HG12 ILE 27 -10.331 -3.491 -16.853 214 HG13 ILE 27 HG11 ILE 27 -9.371 -2.975 -18.236 215 HG21 ILE 27 HG21 ILE 27 -11.984 -5.456 -17.177 216 HG22 ILE 27 HG22 ILE 27 -12.149 -6.131 -18.798 217 HG23 ILE 27 HG23 ILE 27 -12.725 -4.499 -18.460 218 HD11 ILE 27 HD11 ILE 27 -11.105 -1.361 -17.726 219 HD12 ILE 27 HD12 ILE 27 -12.341 -2.606 -17.901 220 HD13 ILE 27 HD13 ILE 27 -11.395 -2.103 -19.301 221 H PHE 28 HN PHE 28 -7.325 -5.637 -16.966 222 HA PHE 28 HA PHE 28 -8.404 -6.867 -14.575 223 HB2 PHE 28 HB2 PHE 28 -5.591 -5.987 -15.261 224 HB3 PHE 28 HB1 PHE 28 -6.047 -6.892 -13.826 225 HD1 PHE 28 HD1 PHE 28 -6.369 -9.230 -13.904 226 HD2 PHE 28 HD2 PHE 28 -5.729 -7.035 -17.484 227 HE1 PHE 28 HE1 PHE 28 -5.991 -11.334 -15.117 228 HE2 PHE 28 HE2 PHE 28 -5.353 -9.131 -18.706 229 HZ PHE 28 HZ PHE 28 -5.483 -11.287 -17.523 230 H SER 29 HN SER 29 -8.024 -6.006 -12.454 231 HA SER 29 HA SER 29 -8.172 -3.091 -12.323 232 HB2 SER 29 HB2 SER 29 -8.499 -5.077 -10.065 233 HB3 SER 29 HB1 SER 29 -9.039 -3.400 -10.110 234 HG SER 29 HG SER 29 -10.394 -5.551 -10.811 235 H LEU 30 HN LEU 30 -6.283 -2.042 -12.058 236 HA LEU 30 HA LEU 30 -3.907 -3.398 -11.215 237 HB2 LEU 30 HB2 LEU 30 -3.716 -1.644 -12.842 238 HB3 LEU 30 HB1 LEU 30 -4.494 -0.494 -11.774 239 HG LEU 30 HG LEU 30 -2.557 -0.552 -10.275 240 HD11 LEU 30 HD11 LEU 30 -0.514 -1.709 -10.909 241 HD12 LEU 30 HD12 LEU 30 -1.323 -2.395 -12.317 242 HD13 LEU 30 HD13 LEU 30 -1.839 -2.853 -10.695 243 HD21 LEU 30 HD21 LEU 30 -2.604 1.105 -12.039 244 HD22 LEU 30 HD22 LEU 30 -1.865 -0.035 -13.163 245 HD23 LEU 30 HD23 LEU 30 -0.950 0.552 -11.773 246 H CYS 31 HN CYS 31 -3.762 -4.021 -9.163 247 HA CYS 31 HA CYS 31 -4.260 -1.995 -7.095 248 HB2 CYS 31 HB2 CYS 31 -4.958 -4.939 -6.935 249 HB3 CYS 31 HB1 CYS 31 -5.143 -3.775 -5.626 250 H CYS 32 HN CYS 32 -2.821 -1.991 -5.360 251 HA CYS 32 HA CYS 32 -0.476 -3.719 -5.675 252 HB2 CYS 32 HB2 CYS 32 -0.098 -1.488 -6.704 253 HB3 CYS 32 HB1 CYS 32 -0.407 -0.742 -5.138 254 H ARG 33 HN ARG 33 -0.352 -4.880 -3.876 255 HA ARG 33 HA ARG 33 -1.201 -3.709 -1.341 256 HB2 ARG 33 HB2 ARG 33 -1.142 -5.924 -0.404 257 HB3 ARG 33 HB1 ARG 33 -1.998 -5.998 -1.932 258 HG2 ARG 33 HG2 ARG 33 0.907 -6.724 -1.694 259 HG3 ARG 33 HG1 ARG 33 -0.386 -7.883 -1.393 260 HD2 ARG 33 HD2 ARG 33 0.007 -6.345 -3.956 261 HD3 ARG 33 HD1 ARG 33 0.518 -8.009 -3.683 262 HE ARG 33 HE ARG 33 -2.308 -7.431 -3.266 263 HH11 ARG 33 HH11 ARG 33 0.168 -8.690 -5.400 264 HH12 ARG 33 HH12 ARG 33 -0.955 -9.576 -6.384 265 HH21 ARG 33 HH21 ARG 33 -3.780 -8.568 -4.562 266 HH22 ARG 33 HH22 ARG 33 -3.196 -9.504 -5.914 Start of MODEL 4 1 H1 ARG 1 HT1 ARG 1 2.711 -0.905 -0.541 2 H2 ARG 1 HT2 ARG 1 1.985 -2.305 -1.181 3 H3 ARG 1 HT3 ARG 1 1.027 -0.981 -0.726 4 HA ARG 1 HA ARG 1 1.399 -1.245 -3.161 5 HB2 ARG 1 HB2 ARG 1 2.201 1.267 -1.702 6 HB3 ARG 1 HB1 ARG 1 1.995 1.212 -3.447 7 HG2 ARG 1 HG2 ARG 1 -0.281 0.973 -3.312 8 HG3 ARG 1 HG1 ARG 1 -0.215 0.232 -1.712 9 HD2 ARG 1 HD2 ARG 1 0.466 3.119 -2.236 10 HD3 ARG 1 HD1 ARG 1 -1.148 2.569 -1.786 11 HE ARG 1 HE ARG 1 0.228 1.536 0.199 12 HH11 ARG 1 HH11 ARG 1 0.636 4.677 -1.292 13 HH12 ARG 1 HH12 ARG 1 1.183 5.441 0.175 14 HH21 ARG 1 HH21 ARG 1 0.931 2.523 2.125 15 HH22 ARG 1 HH22 ARG 1 1.321 4.224 2.137 16 H ARG 2 HN ARG 2 3.121 -2.774 -3.553 17 HA ARG 2 HA ARG 2 5.624 -1.383 -4.203 18 HB2 ARG 2 HB2 ARG 2 6.964 -3.216 -3.353 19 HB3 ARG 2 HB1 ARG 2 5.939 -2.590 -2.068 20 HG2 ARG 2 HG2 ARG 2 4.367 -4.448 -2.466 21 HG3 ARG 2 HG1 ARG 2 5.480 -5.092 -3.672 22 HD2 ARG 2 HD2 ARG 2 7.225 -5.153 -1.846 23 HD3 ARG 2 HD1 ARG 2 5.921 -4.805 -0.709 24 HE ARG 2 HE ARG 2 5.425 -7.055 -2.439 25 HH11 ARG 2 HH11 ARG 2 6.672 -6.005 0.664 26 HH12 ARG 2 HH12 ARG 2 6.655 -7.605 1.345 27 HH21 ARG 2 HH21 ARG 2 5.375 -9.132 -1.545 28 HH22 ARG 2 HH22 ARG 2 5.909 -9.383 0.092 29 H THR 3 HN THR 3 3.218 -3.720 -4.977 30 HA THR 3 HA THR 3 4.573 -4.241 -7.541 31 HB THR 3 HB THR 3 3.036 -6.333 -5.984 32 HG1 THR 3 HG1 THR 3 5.855 -6.036 -6.352 33 HG21 THR 3 HG21 THR 3 2.990 -6.635 -8.415 34 HG22 THR 3 HG22 THR 3 3.958 -7.884 -7.636 35 HG23 THR 3 HG23 THR 3 4.753 -6.544 -8.462 36 H CYS 4 HN CYS 4 3.296 -3.170 -8.933 37 HA CYS 4 HA CYS 4 0.409 -3.115 -8.427 38 HB2 CYS 4 HB2 CYS 4 1.813 -1.433 -10.480 39 HB3 CYS 4 HB1 CYS 4 0.332 -1.088 -9.595 40 H ARG 5 HN ARG 5 -1.038 -3.967 -9.841 41 HA ARG 5 HA ARG 5 -0.473 -4.330 -12.600 42 HB2 ARG 5 HB2 ARG 5 -0.584 -6.741 -12.760 43 HB3 ARG 5 HB1 ARG 5 0.757 -6.294 -11.717 44 HG2 ARG 5 HG2 ARG 5 -0.344 -7.025 -9.790 45 HG3 ARG 5 HG1 ARG 5 -1.919 -7.031 -10.589 46 HD2 ARG 5 HD2 ARG 5 0.368 -8.855 -11.312 47 HD3 ARG 5 HD1 ARG 5 -0.953 -9.297 -10.230 48 HE ARG 5 HE ARG 5 -2.462 -9.145 -12.095 49 HH11 ARG 5 HH11 ARG 5 0.937 -8.994 -12.935 50 HH12 ARG 5 HH12 ARG 5 0.676 -9.450 -14.596 51 HH21 ARG 5 HH21 ARG 5 -2.811 -9.754 -14.256 52 HH22 ARG 5 HH22 ARG 5 -1.461 -9.874 -15.356 53 H CYS 6 HN CYS 6 -2.314 -4.885 -13.797 54 HA CYS 6 HA CYS 6 -4.827 -4.394 -12.544 55 HB2 CYS 6 HB2 CYS 6 -4.772 -5.487 -15.269 56 HB3 CYS 6 HB1 CYS 6 -5.405 -3.946 -14.684 57 H ARG 7 HN ARG 7 -5.983 -5.910 -11.487 58 HA ARG 7 HA ARG 7 -5.547 -8.725 -12.225 59 HB2 ARG 7 HB2 ARG 7 -6.099 -9.337 -9.943 60 HB3 ARG 7 HB1 ARG 7 -4.786 -8.168 -9.945 61 HG2 ARG 7 HG2 ARG 7 -6.186 -6.439 -9.184 62 HG3 ARG 7 HG1 ARG 7 -7.649 -7.359 -9.546 63 HD2 ARG 7 HD2 ARG 7 -5.606 -7.990 -7.419 64 HD3 ARG 7 HD1 ARG 7 -7.235 -7.362 -7.158 65 HE ARG 7 HE ARG 7 -7.488 -9.718 -8.601 66 HH11 ARG 7 HH11 ARG 7 -6.392 -8.703 -5.433 67 HH12 ARG 7 HH12 ARG 7 -6.765 -10.230 -4.688 68 HH21 ARG 7 HH21 ARG 7 -7.961 -11.717 -7.633 69 HH22 ARG 7 HH22 ARG 7 -7.651 -11.947 -5.937 70 H PHE 8 HN PHE 8 -7.393 -10.171 -11.782 71 HA PHE 8 HA PHE 8 -9.576 -9.232 -13.334 72 HB2 PHE 8 HB2 PHE 8 -8.687 -11.562 -13.381 73 HB3 PHE 8 HB1 PHE 8 -9.364 -11.815 -11.776 74 HD1 PHE 8 HD1 PHE 8 -10.134 -11.330 -15.325 75 HD2 PHE 8 HD2 PHE 8 -11.722 -12.143 -11.464 76 HE1 PHE 8 HE1 PHE 8 -12.259 -12.019 -16.348 77 HE2 PHE 8 HE2 PHE 8 -13.852 -12.834 -12.482 78 HZ PHE 8 HZ PHE 8 -14.124 -12.774 -14.927 79 H GLY 9 HN GLY 9 -10.988 -7.818 -12.501 80 HA2 GLY 9 HA2 GLY 9 -13.028 -7.409 -11.524 81 HA3 GLY 9 HA1 GLY 9 -12.898 -8.943 -10.687 82 H ARG 10 HN ARG 10 -12.389 -8.959 -8.581 83 HA ARG 10 HA ARG 10 -12.600 -6.354 -7.299 84 HB2 ARG 10 HB2 ARG 10 -12.963 -9.173 -6.289 85 HB3 ARG 10 HB1 ARG 10 -13.081 -7.753 -5.260 86 HG2 ARG 10 HG2 ARG 10 -14.753 -7.856 -7.714 87 HG3 ARG 10 HG1 ARG 10 -15.210 -8.863 -6.339 88 HD2 ARG 10 HD2 ARG 10 -14.700 -5.896 -6.170 89 HD3 ARG 10 HD1 ARG 10 -16.297 -6.610 -6.393 90 HE ARG 10 HE ARG 10 -15.005 -7.744 -4.136 91 HH11 ARG 10 HH11 ARG 10 -16.649 -4.824 -5.184 92 HH12 ARG 10 HH12 ARG 10 -17.164 -4.397 -3.579 93 HH21 ARG 10 HH21 ARG 10 -15.718 -7.192 -2.031 94 HH22 ARG 10 HH22 ARG 10 -16.643 -5.733 -1.799 95 H CYS 11 HN CYS 11 -11.050 -5.416 -6.146 96 HA CYS 11 HA CYS 11 -8.593 -6.922 -5.565 97 HB2 CYS 11 HB2 CYS 11 -9.115 -3.941 -5.528 98 HB3 CYS 11 HB1 CYS 11 -7.568 -4.706 -5.190 99 H PHE 12 HN PHE 12 -7.620 -6.683 -3.445 100 HA PHE 12 HA PHE 12 -9.543 -6.783 -1.321 101 HB2 PHE 12 HB2 PHE 12 -7.405 -8.151 -1.499 102 HB3 PHE 12 HB1 PHE 12 -6.533 -6.689 -1.056 103 HD1 PHE 12 HD1 PHE 12 -9.269 -8.914 0.129 104 HD2 PHE 12 HD2 PHE 12 -6.136 -6.230 1.176 105 HE1 PHE 12 HE1 PHE 12 -9.611 -9.450 2.504 106 HE2 PHE 12 HE2 PHE 12 -6.475 -6.761 3.555 107 HZ PHE 12 HZ PHE 12 -8.215 -8.374 4.220 108 H ARG 13 HN ARG 13 -9.177 -5.503 0.722 109 HA ARG 13 HA ARG 13 -9.623 -2.797 0.134 110 HB2 ARG 13 HB2 ARG 13 -10.485 -4.166 2.097 111 HB3 ARG 13 HB1 ARG 13 -8.920 -3.903 2.849 112 HG2 ARG 13 HG2 ARG 13 -10.278 -1.478 1.895 113 HG3 ARG 13 HG1 ARG 13 -11.078 -2.331 3.214 114 HD2 ARG 13 HD2 ARG 13 -9.157 -2.154 4.601 115 HD3 ARG 13 HD1 ARG 13 -8.166 -1.571 3.263 116 HE ARG 13 HE ARG 13 -9.910 0.366 3.312 117 HH11 ARG 13 HH11 ARG 13 -8.613 -1.303 6.120 118 HH12 ARG 13 HH12 ARG 13 -8.711 0.106 7.138 119 HH21 ARG 13 HH21 ARG 13 -10.048 2.179 4.645 120 HH22 ARG 13 HH22 ARG 13 -9.531 2.085 6.299 121 H ARG 14 HN ARG 14 -6.683 -4.494 0.819 122 HA ARG 14 HA ARG 14 -5.284 -1.961 1.237 123 HB2 ARG 14 HB2 ARG 14 -4.532 -4.809 1.774 124 HB3 ARG 14 HB1 ARG 14 -3.290 -3.569 1.642 125 HG2 ARG 14 HG2 ARG 14 -4.552 -2.273 3.387 126 HG3 ARG 14 HG1 ARG 14 -5.543 -3.713 3.623 127 HD2 ARG 14 HD2 ARG 14 -3.643 -4.990 4.309 128 HD3 ARG 14 HD1 ARG 14 -2.539 -3.691 3.849 129 HE ARG 14 HE ARG 14 -4.425 -2.791 5.774 130 HH11 ARG 14 HH11 ARG 14 -1.561 -4.775 5.480 131 HH12 ARG 14 HH12 ARG 14 -0.980 -4.418 7.077 132 HH21 ARG 14 HH21 ARG 14 -3.685 -2.317 7.883 133 HH22 ARG 14 HH22 ARG 14 -2.203 -3.012 8.452 134 H GLU 15 HN GLU 15 -6.235 -3.586 -1.370 135 HA GLU 15 HA GLU 15 -3.726 -3.253 -2.833 136 HB2 GLU 15 HB2 GLU 15 -6.414 -4.351 -3.692 137 HB3 GLU 15 HB1 GLU 15 -5.036 -4.170 -4.771 138 HG2 GLU 15 HG2 GLU 15 -3.742 -5.685 -3.321 139 HG3 GLU 15 HG1 GLU 15 -5.175 -5.913 -2.322 140 H SER 16 HN SER 16 -3.279 -1.314 -3.589 141 HA SER 16 HA SER 16 -5.208 0.785 -3.557 142 HB2 SER 16 HB2 SER 16 -3.281 2.122 -4.561 143 HB3 SER 16 HB1 SER 16 -2.985 1.387 -2.985 144 HG SER 16 HG SER 16 -1.908 -0.324 -4.085 145 H TYR 17 HN TYR 17 -6.554 1.397 -5.108 146 HA TYR 17 HA TYR 17 -6.497 -0.003 -7.640 147 HB2 TYR 17 HB2 TYR 17 -8.573 0.477 -6.224 148 HB3 TYR 17 HB1 TYR 17 -8.437 2.144 -6.769 149 HD1 TYR 17 HD1 TYR 17 -9.506 -1.197 -7.602 150 HD2 TYR 17 HD2 TYR 17 -8.716 2.658 -9.212 151 HE1 TYR 17 HE1 TYR 17 -10.819 -1.767 -9.596 152 HE2 TYR 17 HE2 TYR 17 -10.025 2.092 -11.216 153 HH TYR 17 HH TYR 17 -10.710 -0.016 -12.434 154 H SER 18 HN SER 18 -5.080 0.748 -9.075 155 HA SER 18 HA SER 18 -4.490 3.569 -9.317 156 HB2 SER 18 HB2 SER 18 -3.588 1.264 -11.064 157 HB3 SER 18 HB1 SER 18 -2.887 2.881 -11.012 158 HG SER 18 HG SER 18 -2.821 2.093 -8.557 159 H GLY 19 HN GLY 19 -6.011 1.046 -11.276 160 HA2 GLY 19 HA2 GLY 19 -7.930 2.721 -12.450 161 HA3 GLY 19 HA1 GLY 19 -6.550 2.621 -13.537 162 H SER 20 HN SER 20 -7.264 1.349 -15.150 163 HA SER 20 HA SER 20 -7.893 -1.413 -14.487 164 HB2 SER 20 HB2 SER 20 -9.760 0.292 -16.161 165 HB3 SER 20 HB1 SER 20 -9.910 -1.446 -15.905 166 HG SER 20 HG SER 20 -11.267 -0.292 -14.488 167 H CYS 21 HN CYS 21 -7.323 -2.848 -16.084 168 HA CYS 21 HA CYS 21 -6.079 -1.678 -18.476 169 HB2 CYS 21 HB2 CYS 21 -5.269 -4.194 -17.053 170 HB3 CYS 21 HB1 CYS 21 -4.504 -3.514 -18.484 171 H ASN 22 HN ASN 22 -7.340 -2.103 -20.206 172 HA ASN 22 HA ASN 22 -8.875 -4.570 -20.314 173 HB2 ASN 22 HB2 ASN 22 -9.871 -2.501 -21.205 174 HB3 ASN 22 HB1 ASN 22 -8.563 -2.368 -22.374 175 HD21 ASN 22 HD21 ASN 22 -8.608 -3.614 -24.208 176 HD22 ASN 22 HD22 ASN 22 -9.942 -4.623 -24.639 177 H ILE 23 HN ILE 23 -7.590 -6.296 -20.564 178 HA ILE 23 HA ILE 23 -5.465 -6.161 -22.603 179 HB ILE 23 HB ILE 23 -5.607 -7.958 -20.173 180 HG12 ILE 23 HG12 ILE 23 -3.833 -5.564 -20.716 181 HG13 ILE 23 HG11 ILE 23 -5.195 -5.586 -19.600 182 HG21 ILE 23 HG21 ILE 23 -4.441 -8.987 -22.056 183 HG22 ILE 23 HG22 ILE 23 -3.319 -8.587 -20.756 184 HG23 ILE 23 HG23 ILE 23 -3.399 -7.571 -22.195 185 HD11 ILE 23 HD11 ILE 23 -3.114 -5.788 -18.398 186 HD12 ILE 23 HD12 ILE 23 -2.658 -7.192 -19.362 187 HD13 ILE 23 HD13 ILE 23 -4.031 -7.288 -18.259 188 H ASN 24 HN ASN 24 -6.105 -7.120 -24.395 189 HA ASN 24 HA ASN 24 -6.787 -8.689 -25.868 190 HB2 ASN 24 HB2 ASN 24 -6.329 -10.508 -23.494 191 HB3 ASN 24 HB1 ASN 24 -6.688 -11.087 -25.117 192 HD21 ASN 24 HD21 ASN 24 -4.750 -12.143 -25.354 193 HD22 ASN 24 HD22 ASN 24 -3.244 -11.304 -25.557 194 H GLY 25 HN GLY 25 -8.767 -7.251 -24.318 195 HA2 GLY 25 HA2 GLY 25 -11.093 -7.350 -24.843 196 HA3 GLY 25 HA1 GLY 25 -10.993 -9.101 -24.818 197 H ARG 26 HN ARG 26 -9.366 -8.774 -22.217 198 HA ARG 26 HA ARG 26 -11.758 -8.589 -20.521 199 HB2 ARG 26 HB2 ARG 26 -9.154 -10.047 -20.076 200 HB3 ARG 26 HB1 ARG 26 -10.406 -9.881 -18.854 201 HG2 ARG 26 HG2 ARG 26 -11.970 -11.016 -20.469 202 HG3 ARG 26 HG1 ARG 26 -10.549 -11.380 -21.453 203 HD2 ARG 26 HD2 ARG 26 -9.535 -12.535 -19.547 204 HD3 ARG 26 HD1 ARG 26 -10.962 -12.177 -18.575 205 HE ARG 26 HE ARG 26 -11.117 -13.817 -21.024 206 HH11 ARG 26 HH11 ARG 26 -11.845 -13.279 -17.643 207 HH12 ARG 26 HH12 ARG 26 -12.741 -14.753 -17.465 208 HH21 ARG 26 HH21 ARG 26 -12.317 -15.744 -20.811 209 HH22 ARG 26 HH22 ARG 26 -13.020 -16.158 -19.271 210 H ILE 27 HN ILE 27 -11.917 -7.024 -19.075 211 HA ILE 27 HA ILE 27 -9.621 -5.252 -18.787 212 HB ILE 27 HB ILE 27 -11.769 -4.252 -19.457 213 HG12 ILE 27 HG12 ILE 27 -10.831 -3.399 -16.714 214 HG13 ILE 27 HG11 ILE 27 -10.077 -2.950 -18.240 215 HG21 ILE 27 HG21 ILE 27 -13.302 -5.725 -18.283 216 HG22 ILE 27 HG22 ILE 27 -13.603 -4.043 -17.844 217 HG23 ILE 27 HG23 ILE 27 -12.738 -5.106 -16.730 218 HD11 ILE 27 HD11 ILE 27 -11.485 -1.169 -17.319 219 HD12 ILE 27 HD12 ILE 27 -12.884 -2.236 -17.420 220 HD13 ILE 27 HD13 ILE 27 -12.057 -1.723 -18.891 221 H PHE 28 HN PHE 28 -8.402 -5.279 -17.051 222 HA PHE 28 HA PHE 28 -9.395 -6.639 -14.638 223 HB2 PHE 28 HB2 PHE 28 -6.528 -6.233 -15.517 224 HB3 PHE 28 HB1 PHE 28 -7.076 -7.182 -14.143 225 HD1 PHE 28 HD1 PHE 28 -6.226 -7.213 -17.588 226 HD2 PHE 28 HD2 PHE 28 -8.543 -9.230 -14.646 227 HE1 PHE 28 HE1 PHE 28 -6.297 -9.207 -19.024 228 HE2 PHE 28 HE2 PHE 28 -8.620 -11.231 -16.080 229 HZ PHE 28 HZ PHE 28 -7.495 -11.222 -18.268 230 H SER 29 HN SER 29 -9.262 -5.600 -12.698 231 HA SER 29 HA SER 29 -8.950 -2.762 -12.693 232 HB2 SER 29 HB2 SER 29 -9.185 -4.635 -10.326 233 HB3 SER 29 HB1 SER 29 -9.544 -2.908 -10.353 234 HG SER 29 HG SER 29 -11.207 -4.873 -10.822 235 H LEU 30 HN LEU 30 -7.045 -1.731 -12.595 236 HA LEU 30 HA LEU 30 -4.623 -3.142 -11.983 237 HB2 LEU 30 HB2 LEU 30 -5.063 -1.123 -13.614 238 HB3 LEU 30 HB1 LEU 30 -4.773 -0.157 -12.183 239 HG LEU 30 HG LEU 30 -2.812 -2.120 -13.384 240 HD11 LEU 30 HD11 LEU 30 -2.855 0.892 -13.441 241 HD12 LEU 30 HD12 LEU 30 -3.163 -0.179 -14.809 242 HD13 LEU 30 HD13 LEU 30 -1.565 -0.137 -14.064 243 HD21 LEU 30 HD21 LEU 30 -2.526 -1.874 -10.964 244 HD22 LEU 30 HD22 LEU 30 -2.452 -0.122 -11.149 245 HD23 LEU 30 HD23 LEU 30 -1.189 -1.137 -11.847 246 H CYS 31 HN CYS 31 -4.155 -3.645 -9.945 247 HA CYS 31 HA CYS 31 -4.458 -1.552 -7.911 248 HB2 CYS 31 HB2 CYS 31 -5.181 -4.473 -7.601 249 HB3 CYS 31 HB1 CYS 31 -5.128 -3.307 -6.281 250 H CYS 32 HN CYS 32 -2.797 -1.365 -6.480 251 HA CYS 32 HA CYS 32 -0.445 -3.015 -7.079 252 HB2 CYS 32 HB2 CYS 32 -0.401 -0.514 -7.532 253 HB3 CYS 32 HB1 CYS 32 -0.473 -0.283 -5.790 254 H ARG 33 HN ARG 33 0.354 -4.282 -5.557 255 HA ARG 33 HA ARG 33 -0.746 -4.055 -2.841 256 HB2 ARG 33 HB2 ARG 33 0.531 -6.418 -4.236 257 HB3 ARG 33 HB1 ARG 33 -0.025 -6.420 -2.569 258 HG2 ARG 33 HG2 ARG 33 -1.777 -7.415 -3.658 259 HG3 ARG 33 HG1 ARG 33 -2.303 -5.733 -3.595 260 HD2 ARG 33 HD2 ARG 33 -2.745 -6.485 -5.794 261 HD3 ARG 33 HD1 ARG 33 -1.308 -5.468 -5.904 262 HE ARG 33 HE ARG 33 -0.004 -7.386 -6.285 263 HH11 ARG 33 HH11 ARG 33 -3.418 -8.094 -5.943 264 HH12 ARG 33 HH12 ARG 33 -3.270 -9.708 -6.585 265 HH21 ARG 33 HH21 ARG 33 0.197 -9.500 -7.147 266 HH22 ARG 33 HH22 ARG 33 -1.218 -10.519 -7.250 Start of MODEL 5 1 H1 ARG 1 HT1 ARG 1 0.630 -0.074 -0.024 2 H2 ARG 1 HT2 ARG 1 2.251 -0.164 0.469 3 H3 ARG 1 HT3 ARG 1 1.569 -1.422 -0.438 4 HA ARG 1 HA ARG 1 1.319 0.007 -2.340 5 HB2 ARG 1 HB2 ARG 1 1.020 2.066 -0.908 6 HB3 ARG 1 HB1 ARG 1 2.760 2.082 -0.677 7 HG2 ARG 1 HG2 ARG 1 3.060 2.349 -3.105 8 HG3 ARG 1 HG1 ARG 1 1.304 2.398 -3.295 9 HD2 ARG 1 HD2 ARG 1 1.174 4.369 -1.904 10 HD3 ARG 1 HD1 ARG 1 2.907 4.296 -1.590 11 HE ARG 1 HE ARG 1 2.308 4.478 -4.384 12 HH11 ARG 1 HH11 ARG 1 2.682 6.307 -1.428 13 HH12 ARG 1 HH12 ARG 1 3.056 7.802 -2.245 14 HH21 ARG 1 HH21 ARG 1 2.779 6.413 -5.472 15 HH22 ARG 1 HH22 ARG 1 3.117 7.856 -4.563 16 H ARG 2 HN ARG 2 2.966 -2.052 -1.428 17 HA ARG 2 HA ARG 2 5.725 -1.308 -1.844 18 HB2 ARG 2 HB2 ARG 2 5.555 -3.032 -0.300 19 HB3 ARG 2 HB1 ARG 2 4.262 -3.830 -1.180 20 HG2 ARG 2 HG2 ARG 2 6.280 -5.150 -1.263 21 HG3 ARG 2 HG1 ARG 2 5.864 -4.567 -2.873 22 HD2 ARG 2 HD2 ARG 2 7.503 -2.651 -2.385 23 HD3 ARG 2 HD1 ARG 2 8.073 -3.659 -1.054 24 HE ARG 2 HE ARG 2 8.162 -5.361 -3.138 25 HH11 ARG 2 HH11 ARG 2 9.406 -2.114 -2.655 26 HH12 ARG 2 HH12 ARG 2 10.695 -2.302 -3.807 27 HH21 ARG 2 HH21 ARG 2 9.869 -5.608 -4.650 28 HH22 ARG 2 HH22 ARG 2 10.968 -4.290 -4.926 29 H THR 3 HN THR 3 3.289 -3.267 -3.563 30 HA THR 3 HA THR 3 4.851 -2.836 -6.022 31 HB THR 3 HB THR 3 3.650 -5.489 -5.191 32 HG1 THR 3 HG1 THR 3 6.080 -4.361 -4.749 33 HG21 THR 3 HG21 THR 3 4.693 -6.374 -7.212 34 HG22 THR 3 HG22 THR 3 5.290 -4.767 -7.625 35 HG23 THR 3 HG23 THR 3 3.556 -5.088 -7.621 36 H CYS 4 HN CYS 4 3.609 -1.880 -7.474 37 HA CYS 4 HA CYS 4 0.703 -2.090 -7.191 38 HB2 CYS 4 HB2 CYS 4 2.172 -0.270 -9.097 39 HB3 CYS 4 HB1 CYS 4 0.557 -0.079 -8.430 40 H ARG 5 HN ARG 5 -0.556 -3.009 -8.776 41 HA ARG 5 HA ARG 5 0.546 -3.732 -11.331 42 HB2 ARG 5 HB2 ARG 5 0.281 -6.172 -11.003 43 HB3 ARG 5 HB1 ARG 5 1.552 -5.486 -9.998 44 HG2 ARG 5 HG2 ARG 5 0.110 -5.535 -8.066 45 HG3 ARG 5 HG1 ARG 5 -1.241 -6.091 -9.056 46 HD2 ARG 5 HD2 ARG 5 1.340 -7.592 -8.684 47 HD3 ARG 5 HD1 ARG 5 -0.133 -7.894 -7.765 48 HE ARG 5 HE ARG 5 -0.457 -8.036 -10.638 49 HH11 ARG 5 HH11 ARG 5 0.310 -9.764 -7.699 50 HH12 ARG 5 HH12 ARG 5 -0.075 -11.329 -8.354 51 HH21 ARG 5 HH21 ARG 5 -0.980 -10.098 -11.512 52 HH22 ARG 5 HH22 ARG 5 -0.861 -11.514 -10.511 53 H CYS 6 HN CYS 6 -0.973 -4.388 -12.782 54 HA CYS 6 HA CYS 6 -3.720 -3.935 -12.202 55 HB2 CYS 6 HB2 CYS 6 -2.973 -5.363 -14.659 56 HB3 CYS 6 HB1 CYS 6 -3.834 -3.839 -14.455 57 H ARG 7 HN ARG 7 -5.060 -5.402 -11.279 58 HA ARG 7 HA ARG 7 -4.640 -8.230 -11.955 59 HB2 ARG 7 HB2 ARG 7 -5.515 -8.780 -9.656 60 HB3 ARG 7 HB1 ARG 7 -3.923 -8.033 -9.685 61 HG2 ARG 7 HG2 ARG 7 -4.902 -5.883 -9.083 62 HG3 ARG 7 HG1 ARG 7 -6.512 -6.604 -9.094 63 HD2 ARG 7 HD2 ARG 7 -4.251 -7.461 -7.291 64 HD3 ARG 7 HD1 ARG 7 -5.551 -6.367 -6.822 65 HE ARG 7 HE ARG 7 -6.980 -8.441 -7.573 66 HH11 ARG 7 HH11 ARG 7 -4.086 -8.315 -5.623 67 HH12 ARG 7 HH12 ARG 7 -4.405 -9.818 -4.816 68 HH21 ARG 7 HH21 ARG 7 -7.436 -10.397 -6.490 69 HH22 ARG 7 HH22 ARG 7 -6.315 -11.018 -5.316 70 H PHE 8 HN PHE 8 -6.544 -9.536 -11.996 71 HA PHE 8 HA PHE 8 -8.843 -7.970 -12.877 72 HB2 PHE 8 HB2 PHE 8 -9.637 -10.055 -13.900 73 HB3 PHE 8 HB1 PHE 8 -7.999 -9.680 -14.417 74 HD1 PHE 8 HD1 PHE 8 -10.137 -12.049 -12.726 75 HD2 PHE 8 HD2 PHE 8 -6.088 -10.968 -13.483 76 HE1 PHE 8 HE1 PHE 8 -9.412 -14.292 -12.032 77 HE2 PHE 8 HE2 PHE 8 -5.358 -13.213 -12.787 78 HZ PHE 8 HZ PHE 8 -7.020 -14.878 -12.061 79 H GLY 9 HN GLY 9 -11.002 -8.645 -12.285 80 HA2 GLY 9 HA2 GLY 9 -12.621 -9.493 -10.880 81 HA3 GLY 9 HA1 GLY 9 -11.373 -10.411 -10.049 82 H ARG 10 HN ARG 10 -11.018 -9.841 -8.031 83 HA ARG 10 HA ARG 10 -11.772 -7.119 -7.207 84 HB2 ARG 10 HB2 ARG 10 -11.646 -9.550 -5.421 85 HB3 ARG 10 HB1 ARG 10 -12.337 -7.979 -5.043 86 HG2 ARG 10 HG2 ARG 10 -13.411 -10.040 -6.954 87 HG3 ARG 10 HG1 ARG 10 -14.128 -9.492 -5.439 88 HD2 ARG 10 HD2 ARG 10 -13.737 -7.832 -7.927 89 HD3 ARG 10 HD1 ARG 10 -15.261 -8.512 -7.363 90 HE ARG 10 HE ARG 10 -14.837 -7.063 -5.310 91 HH11 ARG 10 HH11 ARG 10 -13.659 -6.228 -8.499 92 HH12 ARG 10 HH12 ARG 10 -13.823 -4.517 -8.262 93 HH21 ARG 10 HH21 ARG 10 -15.042 -4.808 -4.970 94 HH22 ARG 10 HH22 ARG 10 -14.656 -3.710 -6.263 95 H CYS 11 HN CYS 11 -10.373 -5.942 -5.927 96 HA CYS 11 HA CYS 11 -7.701 -7.064 -5.477 97 HB2 CYS 11 HB2 CYS 11 -8.726 -4.224 -5.220 98 HB3 CYS 11 HB1 CYS 11 -7.073 -4.725 -4.895 99 H PHE 12 HN PHE 12 -6.711 -6.513 -3.313 100 HA PHE 12 HA PHE 12 -8.615 -6.971 -1.163 101 HB2 PHE 12 HB2 PHE 12 -5.611 -6.589 -1.127 102 HB3 PHE 12 HB1 PHE 12 -6.586 -6.954 0.292 103 HD1 PHE 12 HD1 PHE 12 -4.662 -8.315 -2.330 104 HD2 PHE 12 HD2 PHE 12 -8.038 -9.111 0.142 105 HE1 PHE 12 HE1 PHE 12 -4.432 -10.718 -2.796 106 HE2 PHE 12 HE2 PHE 12 -7.813 -11.517 -0.323 107 HZ PHE 12 HZ PHE 12 -6.009 -12.323 -1.793 108 H ARG 13 HN ARG 13 -8.908 -5.519 0.611 109 HA ARG 13 HA ARG 13 -9.223 -2.835 -0.165 110 HB2 ARG 13 HB2 ARG 13 -10.584 -3.944 1.570 111 HB3 ARG 13 HB1 ARG 13 -9.187 -3.973 2.636 112 HG2 ARG 13 HG2 ARG 13 -9.148 -1.538 2.674 113 HG3 ARG 13 HG1 ARG 13 -10.517 -1.491 1.563 114 HD2 ARG 13 HD2 ARG 13 -11.890 -2.663 3.225 115 HD3 ARG 13 HD1 ARG 13 -10.523 -2.678 4.337 116 HE ARG 13 HE ARG 13 -10.909 -0.032 3.656 117 HH11 ARG 13 HH11 ARG 13 -12.795 -2.585 5.151 118 HH12 ARG 13 HH12 ARG 13 -13.696 -1.493 6.165 119 HH21 ARG 13 HH21 ARG 13 -12.123 1.401 4.970 120 HH22 ARG 13 HH22 ARG 13 -13.337 0.768 6.043 121 H ARG 14 HN ARG 14 -6.500 -4.495 1.031 122 HA ARG 14 HA ARG 14 -5.231 -2.116 2.104 123 HB2 ARG 14 HB2 ARG 14 -4.175 -4.933 1.809 124 HB3 ARG 14 HB1 ARG 14 -3.307 -3.610 2.569 125 HG2 ARG 14 HG2 ARG 14 -4.171 -4.713 4.386 126 HG3 ARG 14 HG1 ARG 14 -5.395 -3.473 4.114 127 HD2 ARG 14 HD2 ARG 14 -6.785 -5.076 2.928 128 HD3 ARG 14 HD1 ARG 14 -5.546 -6.316 3.114 129 HE ARG 14 HE ARG 14 -6.745 -5.102 5.508 130 HH11 ARG 14 HH11 ARG 14 -6.254 -7.897 3.457 131 HH12 ARG 14 HH12 ARG 14 -6.889 -9.025 4.610 132 HH21 ARG 14 HH21 ARG 14 -7.566 -6.561 7.031 133 HH22 ARG 14 HH22 ARG 14 -7.648 -8.261 6.655 134 H GLU 15 HN GLU 15 -5.659 -3.443 -0.924 135 HA GLU 15 HA GLU 15 -3.066 -2.580 -1.943 136 HB2 GLU 15 HB2 GLU 15 -5.442 -3.822 -3.348 137 HB3 GLU 15 HB1 GLU 15 -3.925 -3.404 -4.131 138 HG2 GLU 15 HG2 GLU 15 -2.748 -5.009 -2.715 139 HG3 GLU 15 HG1 GLU 15 -4.266 -5.416 -1.918 140 H SER 16 HN SER 16 -2.801 -0.499 -2.377 141 HA SER 16 HA SER 16 -4.963 1.324 -2.540 142 HB2 SER 16 HB2 SER 16 -2.078 1.724 -3.373 143 HB3 SER 16 HB1 SER 16 -3.251 2.997 -3.027 144 HG SER 16 HG SER 16 -3.398 2.034 -0.868 145 H TYR 17 HN TYR 17 -6.256 1.682 -4.206 146 HA TYR 17 HA TYR 17 -5.702 0.583 -6.801 147 HB2 TYR 17 HB2 TYR 17 -7.957 0.522 -5.852 148 HB3 TYR 17 HB1 TYR 17 -7.990 2.276 -5.761 149 HD1 TYR 17 HD1 TYR 17 -8.064 -0.605 -8.068 150 HD2 TYR 17 HD2 TYR 17 -8.563 3.597 -7.646 151 HE1 TYR 17 HE1 TYR 17 -9.108 -0.510 -10.291 152 HE2 TYR 17 HE2 TYR 17 -9.607 3.706 -9.870 153 HH TYR 17 HH TYR 17 -9.641 2.418 -11.951 154 H SER 18 HN SER 18 -4.227 1.603 -8.004 155 HA SER 18 HA SER 18 -3.996 4.481 -8.000 156 HB2 SER 18 HB2 SER 18 -2.536 2.382 -9.612 157 HB3 SER 18 HB1 SER 18 -2.144 4.101 -9.590 158 HG SER 18 HG SER 18 -2.227 3.405 -7.080 159 H GLY 19 HN GLY 19 -4.878 1.962 -10.344 160 HA2 GLY 19 HA2 GLY 19 -6.710 3.652 -11.709 161 HA3 GLY 19 HA1 GLY 19 -5.190 3.546 -12.587 162 H SER 20 HN SER 20 -5.608 2.270 -14.290 163 HA SER 20 HA SER 20 -6.411 -0.464 -13.804 164 HB2 SER 20 HB2 SER 20 -8.282 -0.320 -15.492 165 HB3 SER 20 HB1 SER 20 -8.599 0.499 -13.963 166 HG SER 20 HG SER 20 -7.438 1.956 -16.053 167 H CYS 21 HN CYS 21 -5.501 -1.823 -15.223 168 HA CYS 21 HA CYS 21 -4.085 -0.662 -17.514 169 HB2 CYS 21 HB2 CYS 21 -3.807 -3.388 -16.272 170 HB3 CYS 21 HB1 CYS 21 -2.819 -2.739 -17.578 171 H ASN 22 HN ASN 22 -4.269 -1.673 -19.607 172 HA ASN 22 HA ASN 22 -6.494 -3.589 -19.837 173 HB2 ASN 22 HB2 ASN 22 -7.190 -1.344 -20.681 174 HB3 ASN 22 HB1 ASN 22 -5.890 -1.428 -21.868 175 HD21 ASN 22 HD21 ASN 22 -9.007 -2.604 -20.945 176 HD22 ASN 22 HD22 ASN 22 -9.347 -3.477 -22.397 177 H ILE 23 HN ILE 23 -5.518 -5.444 -20.258 178 HA ILE 23 HA ILE 23 -3.192 -5.426 -22.044 179 HB ILE 23 HB ILE 23 -4.117 -7.627 -20.183 180 HG12 ILE 23 HG12 ILE 23 -1.793 -5.706 -19.937 181 HG13 ILE 23 HG11 ILE 23 -3.284 -5.602 -19.011 182 HG21 ILE 23 HG21 ILE 23 -1.609 -7.355 -21.843 183 HG22 ILE 23 HG22 ILE 23 -2.917 -8.508 -22.105 184 HG23 ILE 23 HG23 ILE 23 -1.915 -8.625 -20.660 185 HD11 ILE 23 HD11 ILE 23 -1.283 -7.850 -18.904 186 HD12 ILE 23 HD12 ILE 23 -2.784 -7.764 -17.985 187 HD13 ILE 23 HD13 ILE 23 -1.508 -6.585 -17.695 188 H ASN 24 HN ASN 24 -4.096 -5.411 -24.022 189 HA ASN 24 HA ASN 24 -4.900 -6.274 -25.954 190 HB2 ASN 24 HB2 ASN 24 -3.409 -8.192 -24.950 191 HB3 ASN 24 HB1 ASN 24 -4.951 -9.015 -24.749 192 HD21 ASN 24 HD21 ASN 24 -2.572 -9.465 -26.495 193 HD22 ASN 24 HD22 ASN 24 -3.213 -9.593 -28.103 194 H GLY 25 HN GLY 25 -6.843 -5.335 -24.080 195 HA2 GLY 25 HA2 GLY 25 -9.139 -5.179 -24.864 196 HA3 GLY 25 HA1 GLY 25 -9.112 -6.917 -25.107 197 H ARG 26 HN ARG 26 -7.622 -7.023 -22.383 198 HA ARG 26 HA ARG 26 -10.106 -7.062 -20.823 199 HB2 ARG 26 HB2 ARG 26 -7.519 -8.572 -20.529 200 HB3 ARG 26 HB1 ARG 26 -8.730 -8.523 -19.254 201 HG2 ARG 26 HG2 ARG 26 -10.366 -9.515 -20.782 202 HG3 ARG 26 HG1 ARG 26 -9.129 -9.587 -22.041 203 HD2 ARG 26 HD2 ARG 26 -7.796 -11.082 -20.720 204 HD3 ARG 26 HD1 ARG 26 -8.893 -10.918 -19.351 205 HE ARG 26 HE ARG 26 -10.494 -11.860 -21.323 206 HH11 ARG 26 HH11 ARG 26 -7.425 -12.913 -20.019 207 HH12 ARG 26 HH12 ARG 26 -7.726 -14.598 -20.293 208 HH21 ARG 26 HH21 ARG 26 -10.924 -14.057 -21.675 209 HH22 ARG 26 HH22 ARG 26 -9.746 -15.264 -21.223 210 H ILE 27 HN ILE 27 -10.309 -5.940 -18.959 211 HA ILE 27 HA ILE 27 -8.137 -4.037 -18.439 212 HB ILE 27 HB ILE 27 -10.305 -3.043 -19.055 213 HG12 ILE 27 HG12 ILE 27 -9.451 -2.534 -16.202 214 HG13 ILE 27 HG11 ILE 27 -8.737 -1.819 -17.643 215 HG21 ILE 27 HG21 ILE 27 -11.817 -4.706 -18.157 216 HG22 ILE 27 HG22 ILE 27 -12.196 -3.119 -17.491 217 HG23 ILE 27 HG23 ILE 27 -11.326 -4.300 -16.513 218 HD11 ILE 27 HD11 ILE 27 -11.567 -1.405 -16.704 219 HD12 ILE 27 HD12 ILE 27 -10.817 -0.662 -18.119 220 HD13 ILE 27 HD13 ILE 27 -10.231 -0.270 -16.502 221 H PHE 28 HN PHE 28 -6.988 -4.195 -16.664 222 HA PHE 28 HA PHE 28 -8.009 -5.813 -14.428 223 HB2 PHE 28 HB2 PHE 28 -5.121 -5.335 -15.212 224 HB3 PHE 28 HB1 PHE 28 -5.693 -6.389 -13.926 225 HD1 PHE 28 HD1 PHE 28 -6.526 -8.573 -14.402 226 HD2 PHE 28 HD2 PHE 28 -5.376 -5.968 -17.560 227 HE1 PHE 28 HE1 PHE 28 -6.563 -10.466 -15.972 228 HE2 PHE 28 HE2 PHE 28 -5.415 -7.853 -19.138 229 HZ PHE 28 HZ PHE 28 -6.008 -10.105 -18.347 230 H SER 29 HN SER 29 -8.249 -4.730 -12.537 231 HA SER 29 HA SER 29 -7.763 -1.938 -12.423 232 HB2 SER 29 HB2 SER 29 -8.370 -2.297 -9.945 233 HB3 SER 29 HB1 SER 29 -9.595 -2.698 -11.148 234 HG SER 29 HG SER 29 -8.034 -4.390 -9.544 235 H LEU 30 HN LEU 30 -6.045 -0.825 -11.727 236 HA LEU 30 HA LEU 30 -3.652 -2.340 -11.101 237 HB2 LEU 30 HB2 LEU 30 -3.866 -0.285 -12.689 238 HB3 LEU 30 HB1 LEU 30 -3.822 0.658 -11.215 239 HG LEU 30 HG LEU 30 -1.642 -1.270 -12.024 240 HD11 LEU 30 HD11 LEU 30 -1.783 1.720 -12.387 241 HD12 LEU 30 HD12 LEU 30 -1.831 0.512 -13.671 242 HD13 LEU 30 HD13 LEU 30 -0.373 0.708 -12.696 243 HD21 LEU 30 HD21 LEU 30 -1.758 -0.777 -9.625 244 HD22 LEU 30 HD22 LEU 30 -1.685 0.951 -9.982 245 HD23 LEU 30 HD23 LEU 30 -0.313 -0.091 -10.366 246 H CYS 31 HN CYS 31 -3.710 -3.059 -9.076 247 HA CYS 31 HA CYS 31 -4.217 -1.111 -6.929 248 HB2 CYS 31 HB2 CYS 31 -4.656 -4.111 -6.923 249 HB3 CYS 31 HB1 CYS 31 -4.931 -3.040 -5.550 250 H CYS 32 HN CYS 32 -2.767 -1.055 -5.205 251 HA CYS 32 HA CYS 32 -0.183 -2.311 -5.817 252 HB2 CYS 32 HB2 CYS 32 -0.434 0.173 -6.281 253 HB3 CYS 32 HB1 CYS 32 -0.597 0.394 -4.542 254 H ARG 33 HN ARG 33 -0.010 -3.901 -4.344 255 HA ARG 33 HA ARG 33 -0.759 -3.413 -1.581 256 HB2 ARG 33 HB2 ARG 33 0.286 -5.871 -1.433 257 HB3 ARG 33 HB1 ARG 33 -1.371 -5.571 -1.921 258 HG2 ARG 33 HG2 ARG 33 -0.485 -7.170 -3.410 259 HG3 ARG 33 HG1 ARG 33 -0.598 -5.656 -4.299 260 HD2 ARG 33 HD2 ARG 33 1.488 -6.855 -4.765 261 HD3 ARG 33 HD1 ARG 33 1.778 -5.284 -4.020 262 HE ARG 33 HE ARG 33 2.037 -6.611 -1.878 263 HH11 ARG 33 HH11 ARG 33 2.660 -8.048 -5.001 264 HH12 ARG 33 HH12 ARG 33 3.950 -9.061 -4.429 265 HH21 ARG 33 HH21 ARG 33 3.721 -7.954 -1.099 266 HH22 ARG 33 HH22 ARG 33 4.526 -9.041 -2.195 Start of MODEL 6 1 H1 ARG 1 HT1 ARG 1 1.850 0.252 0.194 2 H2 ARG 1 HT2 ARG 1 1.151 -1.244 -0.213 3 H3 ARG 1 HT3 ARG 1 0.249 0.184 -0.353 4 HA ARG 1 HA ARG 1 1.081 -0.757 -2.466 5 HB2 ARG 1 HB2 ARG 1 1.747 1.418 -3.391 6 HB3 ARG 1 HB1 ARG 1 0.360 1.561 -2.327 7 HG2 ARG 1 HG2 ARG 1 1.668 2.540 -0.609 8 HG3 ARG 1 HG1 ARG 1 3.173 2.170 -1.458 9 HD2 ARG 1 HD2 ARG 1 2.323 3.633 -3.332 10 HD3 ARG 1 HD1 ARG 1 1.039 4.141 -2.237 11 HE ARG 1 HE ARG 1 2.689 5.157 -0.835 12 HH11 ARG 1 HH11 ARG 1 3.911 3.955 -3.890 13 HH12 ARG 1 HH12 ARG 1 5.299 5.006 -3.900 14 HH21 ARG 1 HH21 ARG 1 4.509 6.556 -0.847 15 HH22 ARG 1 HH22 ARG 1 5.640 6.477 -2.162 16 H ARG 2 HN ARG 2 2.619 -2.283 -2.638 17 HA ARG 2 HA ARG 2 5.332 -1.229 -2.967 18 HB2 ARG 2 HB2 ARG 2 6.295 -3.264 -1.931 19 HB3 ARG 2 HB1 ARG 2 5.403 -2.270 -0.786 20 HG2 ARG 2 HG2 ARG 2 3.536 -3.772 -0.847 21 HG3 ARG 2 HG1 ARG 2 4.285 -4.718 -2.134 22 HD2 ARG 2 HD2 ARG 2 6.077 -5.377 -0.647 23 HD3 ARG 2 HD1 ARG 2 5.424 -4.356 0.633 24 HE ARG 2 HE ARG 2 3.433 -5.852 0.569 25 HH11 ARG 2 HH11 ARG 2 6.532 -6.997 -0.594 26 HH12 ARG 2 HH12 ARG 2 6.199 -8.663 -0.229 27 HH21 ARG 2 HH21 ARG 2 2.987 -8.043 1.051 28 HH22 ARG 2 HH22 ARG 2 4.189 -9.253 0.711 29 H THR 3 HN THR 3 2.776 -3.358 -3.834 30 HA THR 3 HA THR 3 4.257 -4.068 -6.274 31 HB THR 3 HB THR 3 2.443 -5.977 -4.775 32 HG1 THR 3 HG1 THR 3 5.080 -5.386 -4.452 33 HG21 THR 3 HG21 THR 3 3.273 -7.644 -6.355 34 HG22 THR 3 HG22 THR 3 4.269 -6.423 -7.145 35 HG23 THR 3 HG23 THR 3 2.512 -6.309 -7.217 36 H CYS 4 HN CYS 4 3.187 -2.666 -7.592 37 HA CYS 4 HA CYS 4 0.262 -2.589 -7.435 38 HB2 CYS 4 HB2 CYS 4 1.881 -0.849 -9.258 39 HB3 CYS 4 HB1 CYS 4 0.349 -0.504 -8.465 40 H ARG 5 HN ARG 5 -1.005 -3.401 -9.008 41 HA ARG 5 HA ARG 5 -0.257 -3.441 -11.733 42 HB2 ARG 5 HB2 ARG 5 -0.215 -5.814 -12.183 43 HB3 ARG 5 HB1 ARG 5 1.035 -5.433 -11.009 44 HG2 ARG 5 HG2 ARG 5 -0.005 -6.569 -9.321 45 HG3 ARG 5 HG1 ARG 5 -1.618 -6.328 -10.003 46 HD2 ARG 5 HD2 ARG 5 0.503 -8.137 -11.161 47 HD3 ARG 5 HD1 ARG 5 -0.847 -8.675 -10.160 48 HE ARG 5 HE ARG 5 -2.258 -7.594 -12.008 49 HH11 ARG 5 HH11 ARG 5 0.844 -9.118 -12.577 50 HH12 ARG 5 HH12 ARG 5 0.438 -9.619 -14.186 51 HH21 ARG 5 HH21 ARG 5 -2.782 -8.229 -14.129 52 HH22 ARG 5 HH22 ARG 5 -1.623 -9.115 -15.081 53 H CYS 6 HN CYS 6 -2.003 -4.042 -13.106 54 HA CYS 6 HA CYS 6 -4.594 -3.812 -11.941 55 HB2 CYS 6 HB2 CYS 6 -4.285 -4.716 -14.733 56 HB3 CYS 6 HB1 CYS 6 -5.161 -3.325 -14.087 57 H ARG 7 HN ARG 7 -5.751 -5.425 -11.117 58 HA ARG 7 HA ARG 7 -5.246 -8.190 -12.032 59 HB2 ARG 7 HB2 ARG 7 -5.978 -8.877 -9.713 60 HB3 ARG 7 HB1 ARG 7 -4.439 -8.029 -9.779 61 HG2 ARG 7 HG2 ARG 7 -5.471 -5.991 -9.027 62 HG3 ARG 7 HG1 ARG 7 -7.069 -6.734 -9.099 63 HD2 ARG 7 HD2 ARG 7 -4.845 -7.754 -7.341 64 HD3 ARG 7 HD1 ARG 7 -6.039 -6.573 -6.804 65 HE ARG 7 HE ARG 7 -7.695 -8.416 -7.531 66 HH11 ARG 7 HH11 ARG 7 -4.608 -8.882 -5.963 67 HH12 ARG 7 HH12 ARG 7 -5.041 -10.415 -5.271 68 HH21 ARG 7 HH21 ARG 7 -8.297 -10.410 -6.615 69 HH22 ARG 7 HH22 ARG 7 -7.148 -11.293 -5.650 70 H PHE 8 HN PHE 8 -7.101 -9.601 -12.072 71 HA PHE 8 HA PHE 8 -9.485 -8.137 -12.807 72 HB2 PHE 8 HB2 PHE 8 -10.351 -10.295 -13.606 73 HB3 PHE 8 HB1 PHE 8 -8.766 -9.941 -14.280 74 HD1 PHE 8 HD1 PHE 8 -10.749 -12.245 -12.358 75 HD2 PHE 8 HD2 PHE 8 -6.759 -11.138 -13.352 76 HE1 PHE 8 HE1 PHE 8 -9.950 -14.440 -11.589 77 HE2 PHE 8 HE2 PHE 8 -5.955 -13.333 -12.585 78 HZ PHE 8 HZ PHE 8 -7.551 -14.985 -11.699 79 H GLY 9 HN GLY 9 -11.293 -7.964 -11.672 80 HA2 GLY 9 HA2 GLY 9 -12.910 -8.973 -10.150 81 HA3 GLY 9 HA1 GLY 9 -11.551 -9.613 -9.238 82 H ARG 10 HN ARG 10 -11.310 -8.634 -7.380 83 HA ARG 10 HA ARG 10 -12.059 -5.794 -7.149 84 HB2 ARG 10 HB2 ARG 10 -12.000 -7.910 -4.985 85 HB3 ARG 10 HB1 ARG 10 -12.559 -6.252 -4.806 86 HG2 ARG 10 HG2 ARG 10 -13.840 -8.121 -6.763 87 HG3 ARG 10 HG1 ARG 10 -14.306 -8.105 -5.062 88 HD2 ARG 10 HD2 ARG 10 -14.252 -5.599 -6.711 89 HD3 ARG 10 HD1 ARG 10 -15.656 -6.665 -6.694 90 HE ARG 10 HE ARG 10 -15.023 -6.164 -4.050 91 HH11 ARG 10 HH11 ARG 10 -15.993 -4.294 -6.847 92 HH12 ARG 10 HH12 ARG 10 -16.840 -3.092 -5.913 93 HH21 ARG 10 HH21 ARG 10 -16.144 -4.601 -2.818 94 HH22 ARG 10 HH22 ARG 10 -16.930 -3.272 -3.616 95 H CYS 11 HN CYS 11 -10.789 -4.552 -5.549 96 HA CYS 11 HA CYS 11 -8.029 -5.515 -5.284 97 HB2 CYS 11 HB2 CYS 11 -9.143 -2.786 -4.575 98 HB3 CYS 11 HB1 CYS 11 -7.450 -3.243 -4.628 99 H PHE 12 HN PHE 12 -7.315 -6.261 -3.354 100 HA PHE 12 HA PHE 12 -9.189 -6.593 -1.231 101 HB2 PHE 12 HB2 PHE 12 -6.227 -7.149 -1.403 102 HB3 PHE 12 HB1 PHE 12 -7.195 -7.513 0.023 103 HD1 PHE 12 HD1 PHE 12 -5.666 -9.123 -2.439 104 HD2 PHE 12 HD2 PHE 12 -9.635 -8.595 -0.998 105 HE1 PHE 12 HE1 PHE 12 -6.311 -11.276 -3.431 106 HE2 PHE 12 HE2 PHE 12 -10.288 -10.747 -1.995 107 HZ PHE 12 HZ PHE 12 -8.622 -12.090 -3.213 108 H ARG 13 HN ARG 13 -8.606 -6.020 1.056 109 HA ARG 13 HA ARG 13 -8.789 -3.251 1.305 110 HB2 ARG 13 HB2 ARG 13 -8.157 -5.372 3.352 111 HB3 ARG 13 HB1 ARG 13 -8.465 -3.689 3.764 112 HG2 ARG 13 HG2 ARG 13 -10.394 -5.492 2.311 113 HG3 ARG 13 HG1 ARG 13 -10.446 -5.122 4.037 114 HD2 ARG 13 HD2 ARG 13 -10.837 -2.797 3.588 115 HD3 ARG 13 HD1 ARG 13 -10.581 -3.042 1.862 116 HE ARG 13 HE ARG 13 -12.686 -4.088 1.714 117 HH11 ARG 13 HH11 ARG 13 -11.990 -2.935 4.957 118 HH12 ARG 13 HH12 ARG 13 -13.656 -2.989 5.460 119 HH21 ARG 13 HH21 ARG 13 -14.866 -4.108 2.368 120 HH22 ARG 13 HH22 ARG 13 -15.293 -3.606 3.976 121 H ARG 14 HN ARG 14 -5.945 -5.261 1.244 122 HA ARG 14 HA ARG 14 -4.305 -3.067 2.256 123 HB2 ARG 14 HB2 ARG 14 -3.415 -5.813 1.358 124 HB3 ARG 14 HB1 ARG 14 -2.434 -4.620 2.195 125 HG2 ARG 14 HG2 ARG 14 -4.272 -4.817 4.036 126 HG3 ARG 14 HG1 ARG 14 -4.612 -6.359 3.248 127 HD2 ARG 14 HD2 ARG 14 -3.062 -6.902 4.913 128 HD3 ARG 14 HD1 ARG 14 -2.094 -6.796 3.443 129 HE ARG 14 HE ARG 14 -2.287 -4.451 5.195 130 HH11 ARG 14 HH11 ARG 14 -0.354 -7.067 3.862 131 HH12 ARG 14 HH12 ARG 14 1.158 -6.382 4.384 132 HH21 ARG 14 HH21 ARG 14 -0.306 -3.546 5.870 133 HH22 ARG 14 HH22 ARG 14 1.189 -4.382 5.535 134 H GLU 15 HN GLU 15 -5.648 -3.830 -0.615 135 HA GLU 15 HA GLU 15 -3.332 -2.943 -2.200 136 HB2 GLU 15 HB2 GLU 15 -5.894 -4.242 -3.147 137 HB3 GLU 15 HB1 GLU 15 -4.513 -3.825 -4.150 138 HG2 GLU 15 HG2 GLU 15 -3.142 -5.439 -2.930 139 HG3 GLU 15 HG1 GLU 15 -4.534 -5.861 -1.933 140 H SER 16 HN SER 16 -3.324 -0.872 -2.724 141 HA SER 16 HA SER 16 -5.662 0.765 -2.442 142 HB2 SER 16 HB2 SER 16 -4.074 2.554 -3.358 143 HB3 SER 16 HB1 SER 16 -3.620 1.802 -1.828 144 HG SER 16 HG SER 16 -2.136 0.530 -2.924 145 H TYR 17 HN TYR 17 -6.993 1.549 -4.007 146 HA TYR 17 HA TYR 17 -6.786 0.324 -6.634 147 HB2 TYR 17 HB2 TYR 17 -8.949 0.401 -5.426 148 HB3 TYR 17 HB1 TYR 17 -8.898 2.157 -5.465 149 HD1 TYR 17 HD1 TYR 17 -9.419 3.373 -7.493 150 HD2 TYR 17 HD2 TYR 17 -9.429 -0.881 -7.445 151 HE1 TYR 17 HE1 TYR 17 -10.632 3.357 -9.632 152 HE2 TYR 17 HE2 TYR 17 -10.632 -0.908 -9.586 153 HH TYR 17 HH TYR 17 -10.965 1.833 -11.551 154 H SER 18 HN SER 18 -5.353 1.295 -7.930 155 HA SER 18 HA SER 18 -5.064 4.173 -7.984 156 HB2 SER 18 HB2 SER 18 -3.802 2.058 -9.745 157 HB3 SER 18 HB1 SER 18 -3.311 3.753 -9.631 158 HG SER 18 HG SER 18 -3.245 3.005 -7.189 159 H GLY 19 HN GLY 19 -6.261 1.624 -10.128 160 HA2 GLY 19 HA2 GLY 19 -8.245 3.189 -11.328 161 HA3 GLY 19 HA1 GLY 19 -6.817 3.262 -12.350 162 H SER 20 HN SER 20 -7.100 1.944 -14.027 163 HA SER 20 HA SER 20 -7.724 -0.849 -13.557 164 HB2 SER 20 HB2 SER 20 -9.562 -0.730 -15.346 165 HB3 SER 20 HB1 SER 20 -9.965 -0.105 -13.747 166 HG SER 20 HG SER 20 -8.874 1.848 -15.239 167 H CYS 21 HN CYS 21 -7.475 -2.155 -15.522 168 HA CYS 21 HA CYS 21 -5.981 -0.854 -17.675 169 HB2 CYS 21 HB2 CYS 21 -5.056 -3.337 -16.258 170 HB3 CYS 21 HB1 CYS 21 -4.310 -2.627 -17.682 171 H ASN 22 HN ASN 22 -7.097 -1.344 -19.508 172 HA ASN 22 HA ASN 22 -8.490 -3.894 -19.710 173 HB2 ASN 22 HB2 ASN 22 -9.596 -1.893 -20.624 174 HB3 ASN 22 HB1 ASN 22 -8.240 -1.632 -21.714 175 HD21 ASN 22 HD21 ASN 22 -11.038 -3.569 -21.033 176 HD22 ASN 22 HD22 ASN 22 -11.108 -4.367 -22.569 177 H ILE 23 HN ILE 23 -7.169 -5.579 -20.056 178 HA ILE 23 HA ILE 23 -5.067 -5.272 -22.100 179 HB ILE 23 HB ILE 23 -4.800 -6.788 -19.495 180 HG12 ILE 23 HG12 ILE 23 -3.416 -4.270 -20.443 181 HG13 ILE 23 HG11 ILE 23 -4.680 -4.338 -19.221 182 HG21 ILE 23 HG21 ILE 23 -2.809 -6.366 -21.720 183 HG22 ILE 23 HG22 ILE 23 -3.625 -7.879 -21.332 184 HG23 ILE 23 HG23 ILE 23 -2.484 -7.174 -20.187 185 HD11 ILE 23 HD11 ILE 23 -2.539 -4.124 -18.159 186 HD12 ILE 23 HD12 ILE 23 -1.924 -5.527 -19.031 187 HD13 ILE 23 HD13 ILE 23 -3.193 -5.728 -17.823 188 H ASN 24 HN ASN 24 -5.666 -6.487 -23.740 189 HA ASN 24 HA ASN 24 -6.203 -8.279 -25.005 190 HB2 ASN 24 HB2 ASN 24 -5.179 -9.683 -22.548 191 HB3 ASN 24 HB1 ASN 24 -5.689 -10.560 -23.988 192 HD21 ASN 24 HD21 ASN 24 -4.449 -10.471 -25.834 193 HD22 ASN 24 HD22 ASN 24 -2.843 -9.824 -25.849 194 H GLY 25 HN GLY 25 -8.392 -7.142 -24.168 195 HA2 GLY 25 HA2 GLY 25 -10.647 -7.580 -24.225 196 HA3 GLY 25 HA1 GLY 25 -10.261 -9.288 -24.331 197 H ARG 26 HN ARG 26 -8.840 -7.726 -21.675 198 HA ARG 26 HA ARG 26 -11.056 -8.493 -19.918 199 HB2 ARG 26 HB2 ARG 26 -8.185 -9.364 -19.725 200 HB3 ARG 26 HB1 ARG 26 -9.220 -9.314 -18.305 201 HG2 ARG 26 HG2 ARG 26 -10.679 -10.947 -19.202 202 HG3 ARG 26 HG1 ARG 26 -9.923 -10.847 -20.792 203 HD2 ARG 26 HD2 ARG 26 -8.445 -11.727 -18.323 204 HD3 ARG 26 HD1 ARG 26 -9.295 -12.850 -19.383 205 HE ARG 26 HE ARG 26 -7.553 -11.242 -20.906 206 HH11 ARG 26 HH11 ARG 26 -7.458 -13.843 -18.557 207 HH12 ARG 26 HH12 ARG 26 -6.005 -14.546 -19.211 208 HH21 ARG 26 HH21 ARG 26 -5.643 -12.172 -21.770 209 HH22 ARG 26 HH22 ARG 26 -4.976 -13.589 -21.031 210 H ILE 27 HN ILE 27 -11.554 -6.985 -18.477 211 HA ILE 27 HA ILE 27 -9.740 -4.710 -18.222 212 HB ILE 27 HB ILE 27 -11.976 -4.083 -18.833 213 HG12 ILE 27 HG12 ILE 27 -11.509 -3.426 -15.921 214 HG13 ILE 27 HG11 ILE 27 -10.739 -2.615 -17.278 215 HG21 ILE 27 HG21 ILE 27 -13.183 -6.012 -18.027 216 HG22 ILE 27 HG22 ILE 27 -13.916 -4.532 -17.408 217 HG23 ILE 27 HG23 ILE 27 -12.902 -5.521 -16.356 218 HD11 ILE 27 HD11 ILE 27 -12.540 -1.269 -16.458 219 HD12 ILE 27 HD12 ILE 27 -13.667 -2.615 -16.606 220 HD13 ILE 27 HD13 ILE 27 -12.970 -1.890 -18.053 221 H PHE 28 HN PHE 28 -8.346 -4.809 -16.663 222 HA PHE 28 HA PHE 28 -9.014 -6.207 -14.174 223 HB2 PHE 28 HB2 PHE 28 -6.328 -5.151 -15.076 224 HB3 PHE 28 HB1 PHE 28 -6.640 -6.262 -13.750 225 HD1 PHE 28 HD1 PHE 28 -7.515 -8.566 -14.299 226 HD2 PHE 28 HD2 PHE 28 -5.932 -5.930 -17.237 227 HE1 PHE 28 HE1 PHE 28 -7.153 -10.473 -15.812 228 HE2 PHE 28 HE2 PHE 28 -5.565 -7.829 -18.753 229 HZ PHE 28 HZ PHE 28 -6.179 -10.106 -18.042 230 H SER 29 HN SER 29 -8.697 -5.169 -12.144 231 HA SER 29 HA SER 29 -8.767 -2.249 -12.249 232 HB2 SER 29 HB2 SER 29 -9.244 -2.523 -9.751 233 HB3 SER 29 HB1 SER 29 -10.477 -3.143 -10.847 234 HG SER 29 HG SER 29 -8.694 -4.518 -9.186 235 H LEU 30 HN LEU 30 -7.079 -1.010 -11.620 236 HA LEU 30 HA LEU 30 -4.567 -2.372 -11.186 237 HB2 LEU 30 HB2 LEU 30 -5.088 -0.201 -12.588 238 HB3 LEU 30 HB1 LEU 30 -4.869 0.600 -11.048 239 HG LEU 30 HG LEU 30 -2.787 -1.137 -12.382 240 HD11 LEU 30 HD11 LEU 30 -1.637 0.980 -12.859 241 HD12 LEU 30 HD12 LEU 30 -3.035 1.864 -12.245 242 HD13 LEU 30 HD13 LEU 30 -3.190 0.862 -13.687 243 HD21 LEU 30 HD21 LEU 30 -1.255 -0.193 -10.737 244 HD22 LEU 30 HD22 LEU 30 -2.573 -1.048 -9.938 245 HD23 LEU 30 HD23 LEU 30 -2.577 0.715 -10.005 246 H CYS 31 HN CYS 31 -4.331 -3.178 -9.201 247 HA CYS 31 HA CYS 31 -4.879 -1.406 -6.909 248 HB2 CYS 31 HB2 CYS 31 -4.713 -4.380 -6.595 249 HB3 CYS 31 HB1 CYS 31 -5.646 -3.213 -5.668 250 H CYS 32 HN CYS 32 -3.198 -1.021 -5.529 251 HA CYS 32 HA CYS 32 -0.728 -2.533 -6.022 252 HB2 CYS 32 HB2 CYS 32 -0.596 -0.153 -6.730 253 HB3 CYS 32 HB1 CYS 32 -0.939 0.329 -5.068 254 H ARG 33 HN ARG 33 -0.594 -3.964 -4.467 255 HA ARG 33 HA ARG 33 -1.437 -3.398 -1.760 256 HB2 ARG 33 HB2 ARG 33 -0.558 -5.763 -1.378 257 HB3 ARG 33 HB1 ARG 33 -1.922 -5.598 -2.473 258 HG2 ARG 33 HG2 ARG 33 -0.066 -5.510 -4.309 259 HG3 ARG 33 HG1 ARG 33 0.914 -6.292 -3.069 260 HD2 ARG 33 HD2 ARG 33 -1.755 -7.291 -4.061 261 HD3 ARG 33 HD1 ARG 33 -0.189 -7.899 -4.589 262 HE ARG 33 HE ARG 33 0.119 -8.468 -2.126 263 HH11 ARG 33 HH11 ARG 33 -3.020 -8.384 -3.684 264 HH12 ARG 33 HH12 ARG 33 -3.677 -9.654 -2.694 265 HH21 ARG 33 HH21 ARG 33 -0.731 -10.118 -0.819 266 HH22 ARG 33 HH22 ARG 33 -2.370 -10.649 -1.055 Start of MODEL 7 1 H1 ARG 1 HT1 ARG 1 2.170 -0.406 -0.627 2 H2 ARG 1 HT2 ARG 1 1.558 -1.863 -1.259 3 H3 ARG 1 HT3 ARG 1 0.630 -0.453 -1.328 4 HA ARG 1 HA ARG 1 1.631 -1.054 -3.461 5 HB2 ARG 1 HB2 ARG 1 1.078 1.334 -2.633 6 HB3 ARG 1 HB1 ARG 1 2.817 1.523 -2.463 7 HG2 ARG 1 HG2 ARG 1 3.123 1.061 -4.824 8 HG3 ARG 1 HG1 ARG 1 1.386 0.810 -5.009 9 HD2 ARG 1 HD2 ARG 1 1.122 3.171 -4.095 10 HD3 ARG 1 HD1 ARG 1 2.852 3.352 -4.384 11 HE ARG 1 HE ARG 1 2.143 2.618 -6.782 12 HH11 ARG 1 HH11 ARG 1 0.372 4.698 -4.592 13 HH12 ARG 1 HH12 ARG 1 -0.390 5.611 -5.866 14 HH21 ARG 1 HH21 ARG 1 1.137 3.795 -8.462 15 HH22 ARG 1 HH22 ARG 1 0.042 5.089 -8.067 16 H ARG 2 HN ARG 2 3.114 -2.821 -3.083 17 HA ARG 2 HA ARG 2 5.917 -1.891 -3.172 18 HB2 ARG 2 HB2 ARG 2 6.641 -3.826 -2.025 19 HB3 ARG 2 HB1 ARG 2 5.231 -3.279 -1.129 20 HG2 ARG 2 HG2 ARG 2 3.873 -4.951 -2.386 21 HG3 ARG 2 HG1 ARG 2 5.372 -5.562 -3.085 22 HD2 ARG 2 HD2 ARG 2 4.936 -6.978 -1.276 23 HD3 ARG 2 HD1 ARG 2 6.171 -5.867 -0.688 24 HE ARG 2 HE ARG 2 4.307 -4.641 0.419 25 HH11 ARG 2 HH11 ARG 2 3.920 -8.010 -0.459 26 HH12 ARG 2 HH12 ARG 2 2.751 -8.337 0.790 27 HH21 ARG 2 HH21 ARG 2 2.739 -5.059 2.046 28 HH22 ARG 2 HH22 ARG 2 2.074 -6.655 2.195 29 H THR 3 HN THR 3 3.375 -3.822 -4.544 30 HA THR 3 HA THR 3 4.964 -4.170 -6.966 31 HB THR 3 HB THR 3 3.579 -6.512 -5.632 32 HG1 THR 3 HG1 THR 3 6.071 -5.503 -5.349 33 HG21 THR 3 HG21 THR 3 5.248 -6.390 -8.150 34 HG22 THR 3 HG22 THR 3 3.497 -6.596 -8.088 35 HG23 THR 3 HG23 THR 3 4.556 -7.845 -7.432 36 H CYS 4 HN CYS 4 3.745 -3.495 -8.623 37 HA CYS 4 HA CYS 4 0.862 -3.221 -8.147 38 HB2 CYS 4 HB2 CYS 4 2.455 -1.959 -10.374 39 HB3 CYS 4 HB1 CYS 4 0.885 -1.470 -9.754 40 H ARG 5 HN ARG 5 -0.652 -4.197 -9.428 41 HA ARG 5 HA ARG 5 -0.064 -5.057 -12.083 42 HB2 ARG 5 HB2 ARG 5 -0.391 -7.436 -11.810 43 HB3 ARG 5 HB1 ARG 5 0.964 -6.916 -10.820 44 HG2 ARG 5 HG2 ARG 5 -0.129 -7.333 -8.856 45 HG3 ARG 5 HG1 ARG 5 -1.725 -7.068 -9.565 46 HD2 ARG 5 HD2 ARG 5 0.064 -9.438 -10.101 47 HD3 ARG 5 HD1 ARG 5 -1.338 -9.435 -9.030 48 HE ARG 5 HE ARG 5 -2.287 -8.550 -11.441 49 HH11 ARG 5 HH11 ARG 5 -0.609 -11.433 -10.375 50 HH12 ARG 5 HH12 ARG 5 -1.383 -12.459 -11.550 51 HH21 ARG 5 HH21 ARG 5 -3.273 -9.868 -12.983 52 HH22 ARG 5 HH22 ARG 5 -2.867 -11.557 -13.080 53 H CYS 6 HN CYS 6 -1.907 -5.526 -13.269 54 HA CYS 6 HA CYS 6 -4.441 -4.841 -12.157 55 HB2 CYS 6 HB2 CYS 6 -4.247 -6.263 -14.743 56 HB3 CYS 6 HB1 CYS 6 -5.061 -4.750 -14.347 57 H ARG 7 HN ARG 7 -5.922 -6.183 -11.251 58 HA ARG 7 HA ARG 7 -5.769 -9.053 -11.865 59 HB2 ARG 7 HB2 ARG 7 -6.439 -9.487 -9.471 60 HB3 ARG 7 HB1 ARG 7 -4.800 -8.890 -9.692 61 HG2 ARG 7 HG2 ARG 7 -5.452 -6.683 -8.996 62 HG3 ARG 7 HG1 ARG 7 -7.148 -7.165 -8.931 63 HD2 ARG 7 HD2 ARG 7 -4.974 -8.390 -7.238 64 HD3 ARG 7 HD1 ARG 7 -6.016 -7.070 -6.706 65 HE ARG 7 HE ARG 7 -7.693 -9.084 -7.575 66 HH11 ARG 7 HH11 ARG 7 -5.309 -8.603 -5.054 67 HH12 ARG 7 HH12 ARG 7 -5.987 -9.807 -4.012 68 HH21 ARG 7 HH21 ARG 7 -8.624 -10.627 -6.182 69 HH22 ARG 7 HH22 ARG 7 -7.888 -10.961 -4.651 70 H PHE 8 HN PHE 8 -7.701 -10.104 -12.100 71 HA PHE 8 HA PHE 8 -9.913 -8.517 -12.852 72 HB2 PHE 8 HB2 PHE 8 -11.099 -10.701 -13.108 73 HB3 PHE 8 HB1 PHE 8 -9.560 -10.623 -13.956 74 HD1 PHE 8 HD1 PHE 8 -7.666 -11.942 -13.213 75 HD2 PHE 8 HD2 PHE 8 -11.418 -12.165 -11.227 76 HE1 PHE 8 HE1 PHE 8 -6.952 -14.020 -12.107 77 HE2 PHE 8 HE2 PHE 8 -10.711 -14.242 -10.113 78 HZ PHE 8 HZ PHE 8 -8.473 -15.172 -10.553 79 H GLY 9 HN GLY 9 -12.055 -8.532 -11.977 80 HA2 GLY 9 HA2 GLY 9 -13.585 -8.385 -10.257 81 HA3 GLY 9 HA1 GLY 9 -12.537 -9.429 -9.297 82 H ARG 10 HN ARG 10 -12.614 -8.243 -7.408 83 HA ARG 10 HA ARG 10 -11.328 -5.603 -7.585 84 HB2 ARG 10 HB2 ARG 10 -12.246 -5.155 -5.328 85 HB3 ARG 10 HB1 ARG 10 -13.486 -5.400 -6.546 86 HG2 ARG 10 HG2 ARG 10 -13.917 -7.627 -5.724 87 HG3 ARG 10 HG1 ARG 10 -12.591 -7.487 -4.563 88 HD2 ARG 10 HD2 ARG 10 -13.727 -5.700 -3.412 89 HD3 ARG 10 HD1 ARG 10 -14.992 -5.665 -4.636 90 HE ARG 10 HE ARG 10 -15.245 -8.157 -3.757 91 HH11 ARG 10 HH11 ARG 10 -14.750 -5.214 -1.919 92 HH12 ARG 10 HH12 ARG 10 -15.733 -5.733 -0.582 93 HH21 ARG 10 HH21 ARG 10 -16.531 -8.834 -1.986 94 HH22 ARG 10 HH22 ARG 10 -16.728 -7.782 -0.618 95 H CYS 11 HN CYS 11 -9.852 -5.075 -5.831 96 HA CYS 11 HA CYS 11 -8.168 -7.383 -5.216 97 HB2 CYS 11 HB2 CYS 11 -6.469 -5.585 -4.668 98 HB3 CYS 11 HB1 CYS 11 -6.972 -5.667 -6.351 99 H PHE 12 HN PHE 12 -6.812 -6.797 -3.049 100 HA PHE 12 HA PHE 12 -8.793 -6.937 -0.958 101 HB2 PHE 12 HB2 PHE 12 -5.769 -6.891 -0.803 102 HB3 PHE 12 HB1 PHE 12 -6.849 -7.217 0.550 103 HD1 PHE 12 HD1 PHE 12 -4.688 -8.781 -1.505 104 HD2 PHE 12 HD2 PHE 12 -8.766 -9.076 -0.319 105 HE1 PHE 12 HE1 PHE 12 -4.683 -11.171 -2.093 106 HE2 PHE 12 HE2 PHE 12 -8.766 -11.464 -0.906 107 HZ PHE 12 HZ PHE 12 -6.727 -12.515 -1.791 108 H ARG 13 HN ARG 13 -8.850 -5.509 0.896 109 HA ARG 13 HA ARG 13 -8.746 -2.775 0.011 110 HB2 ARG 13 HB2 ARG 13 -9.739 -2.241 2.201 111 HB3 ARG 13 HB1 ARG 13 -10.626 -3.499 1.355 112 HG2 ARG 13 HG2 ARG 13 -9.516 -5.191 2.754 113 HG3 ARG 13 HG1 ARG 13 -8.695 -3.897 3.631 114 HD2 ARG 13 HD2 ARG 13 -10.823 -2.994 4.348 115 HD3 ARG 13 HD1 ARG 13 -11.684 -4.209 3.408 116 HE ARG 13 HE ARG 13 -9.899 -5.383 5.306 117 HH11 ARG 13 HH11 ARG 13 -13.056 -3.915 4.915 118 HH12 ARG 13 HH12 ARG 13 -13.747 -4.729 6.284 119 HH21 ARG 13 HH21 ARG 13 -10.805 -6.444 7.137 120 HH22 ARG 13 HH22 ARG 13 -12.473 -6.156 7.548 121 H ARG 14 HN ARG 14 -6.420 -4.731 1.100 122 HA ARG 14 HA ARG 14 -4.985 -2.651 2.588 123 HB2 ARG 14 HB2 ARG 14 -4.199 -5.532 2.103 124 HB3 ARG 14 HB1 ARG 14 -3.389 -4.394 3.170 125 HG2 ARG 14 HG2 ARG 14 -5.377 -4.295 4.584 126 HG3 ARG 14 HG1 ARG 14 -6.198 -5.430 3.514 127 HD2 ARG 14 HD2 ARG 14 -4.371 -7.068 3.987 128 HD3 ARG 14 HD1 ARG 14 -3.748 -5.941 5.188 129 HE ARG 14 HE ARG 14 -6.519 -6.594 5.572 130 HH11 ARG 14 HH11 ARG 14 -3.217 -7.555 6.244 131 HH12 ARG 14 HH12 ARG 14 -3.635 -8.509 7.633 132 HH21 ARG 14 HH21 ARG 14 -7.078 -7.848 7.390 133 HH22 ARG 14 HH22 ARG 14 -5.845 -8.693 8.277 134 H GLU 15 HN GLU 15 -5.468 -3.571 -0.508 135 HA GLU 15 HA GLU 15 -2.706 -3.098 -1.374 136 HB2 GLU 15 HB2 GLU 15 -5.048 -4.092 -3.019 137 HB3 GLU 15 HB1 GLU 15 -3.356 -4.060 -3.502 138 HG2 GLU 15 HG2 GLU 15 -2.833 -5.666 -1.716 139 HG3 GLU 15 HG1 GLU 15 -4.541 -5.733 -1.293 140 H SER 16 HN SER 16 -2.224 -1.427 -2.842 141 HA SER 16 HA SER 16 -4.015 0.837 -2.529 142 HB2 SER 16 HB2 SER 16 -1.336 0.755 -3.935 143 HB3 SER 16 HB1 SER 16 -2.158 2.167 -3.275 144 HG SER 16 HG SER 16 -1.968 1.008 -1.186 145 H TYR 17 HN TYR 17 -5.525 1.339 -4.013 146 HA TYR 17 HA TYR 17 -5.607 0.009 -6.547 147 HB2 TYR 17 HB2 TYR 17 -7.609 0.745 -5.163 148 HB3 TYR 17 HB1 TYR 17 -7.265 2.387 -5.691 149 HD1 TYR 17 HD1 TYR 17 -7.726 3.078 -7.984 150 HD2 TYR 17 HD2 TYR 17 -8.472 -0.913 -6.713 151 HE1 TYR 17 HE1 TYR 17 -9.082 2.691 -9.999 152 HE2 TYR 17 HE2 TYR 17 -9.825 -1.306 -8.725 153 HH TYR 17 HH TYR 17 -9.780 0.667 -11.393 154 H SER 18 HN SER 18 -4.190 0.536 -8.065 155 HA SER 18 HA SER 18 -3.146 3.219 -8.295 156 HB2 SER 18 HB2 SER 18 -2.570 0.771 -9.978 157 HB3 SER 18 HB1 SER 18 -1.615 2.257 -9.911 158 HG SER 18 HG SER 18 -1.750 1.554 -7.455 159 H GLY 19 HN GLY 19 -5.116 0.997 -10.236 160 HA2 GLY 19 HA2 GLY 19 -6.655 3.014 -11.420 161 HA3 GLY 19 HA1 GLY 19 -5.334 2.632 -12.518 162 H SER 20 HN SER 20 -6.721 1.786 -14.084 163 HA SER 20 HA SER 20 -7.711 -0.911 -13.436 164 HB2 SER 20 HB2 SER 20 -9.153 1.103 -15.183 165 HB3 SER 20 HB1 SER 20 -9.695 -0.535 -14.811 166 HG SER 20 HG SER 20 -10.554 1.346 -13.525 167 H CYS 21 HN CYS 21 -7.111 -2.450 -14.857 168 HA CYS 21 HA CYS 21 -5.793 -1.598 -17.335 169 HB2 CYS 21 HB2 CYS 21 -5.608 -4.159 -15.783 170 HB3 CYS 21 HB1 CYS 21 -4.884 -3.918 -17.369 171 H ASN 22 HN ASN 22 -6.536 -2.290 -19.321 172 HA ASN 22 HA ASN 22 -8.711 -4.283 -19.298 173 HB2 ASN 22 HB2 ASN 22 -9.449 -1.990 -20.032 174 HB3 ASN 22 HB1 ASN 22 -8.321 -2.115 -21.378 175 HD21 ASN 22 HD21 ASN 22 -11.271 -1.887 -21.260 176 HD22 ASN 22 HD22 ASN 22 -11.882 -3.220 -22.183 177 H ILE 23 HN ILE 23 -7.723 -6.126 -19.774 178 HA ILE 23 HA ILE 23 -5.783 -6.135 -21.998 179 HB ILE 23 HB ILE 23 -5.692 -7.859 -19.512 180 HG12 ILE 23 HG12 ILE 23 -3.856 -5.612 -20.373 181 HG13 ILE 23 HG11 ILE 23 -5.069 -5.487 -19.108 182 HG21 ILE 23 HG21 ILE 23 -3.524 -8.613 -20.386 183 HG22 ILE 23 HG22 ILE 23 -3.794 -7.666 -21.850 184 HG23 ILE 23 HG23 ILE 23 -4.855 -9.022 -21.468 185 HD11 ILE 23 HD11 ILE 23 -2.656 -7.277 -19.085 186 HD12 ILE 23 HD12 ILE 23 -3.889 -7.209 -17.827 187 HD13 ILE 23 HD13 ILE 23 -2.877 -5.799 -18.152 188 H ASN 24 HN ASN 24 -6.388 -7.354 -23.636 189 HA ASN 24 HA ASN 24 -7.360 -8.972 -24.898 190 HB2 ASN 24 HB2 ASN 24 -7.515 -10.447 -22.261 191 HB3 ASN 24 HB1 ASN 24 -7.880 -11.167 -23.826 192 HD21 ASN 24 HD21 ASN 24 -5.852 -11.898 -21.881 193 HD22 ASN 24 HD22 ASN 24 -4.334 -11.787 -22.707 194 H GLY 25 HN GLY 25 -8.956 -6.864 -23.593 195 HA2 GLY 25 HA2 GLY 25 -11.181 -6.253 -23.708 196 HA3 GLY 25 HA1 GLY 25 -11.565 -7.882 -24.246 197 H ARG 26 HN ARG 26 -9.711 -7.768 -21.420 198 HA ARG 26 HA ARG 26 -12.115 -8.223 -19.791 199 HB2 ARG 26 HB2 ARG 26 -9.418 -9.503 -19.330 200 HB3 ARG 26 HB1 ARG 26 -10.948 -9.910 -18.564 201 HG2 ARG 26 HG2 ARG 26 -11.801 -10.713 -20.715 202 HG3 ARG 26 HG1 ARG 26 -10.249 -10.329 -21.459 203 HD2 ARG 26 HD2 ARG 26 -9.163 -11.890 -19.855 204 HD3 ARG 26 HD1 ARG 26 -10.769 -12.350 -19.284 205 HE ARG 26 HE ARG 26 -9.715 -12.834 -21.994 206 HH11 ARG 26 HH11 ARG 26 -11.947 -13.584 -19.401 207 HH12 ARG 26 HH12 ARG 26 -12.646 -14.946 -20.227 208 HH21 ARG 26 HH21 ARG 26 -10.619 -14.614 -23.077 209 HH22 ARG 26 HH22 ARG 26 -11.871 -15.549 -22.321 210 H ILE 27 HN ILE 27 -12.311 -6.922 -18.089 211 HA ILE 27 HA ILE 27 -10.260 -4.971 -17.608 212 HB ILE 27 HB ILE 27 -12.586 -4.267 -17.566 213 HG12 ILE 27 HG12 ILE 27 -11.267 -4.085 -14.851 214 HG13 ILE 27 HG11 ILE 27 -10.952 -3.033 -16.225 215 HG21 ILE 27 HG21 ILE 27 -13.589 -6.334 -16.738 216 HG22 ILE 27 HG22 ILE 27 -14.115 -4.943 -15.791 217 HG23 ILE 27 HG23 ILE 27 -12.893 -6.040 -15.145 218 HD11 ILE 27 HD11 ILE 27 -13.573 -3.276 -14.767 219 HD12 ILE 27 HD12 ILE 27 -13.236 -2.202 -16.125 220 HD13 ILE 27 HD13 ILE 27 -12.402 -1.970 -14.587 221 H PHE 28 HN PHE 28 -8.762 -5.001 -16.107 222 HA PHE 28 HA PHE 28 -9.076 -6.782 -13.792 223 HB2 PHE 28 HB2 PHE 28 -6.476 -6.176 -15.226 224 HB3 PHE 28 HB1 PHE 28 -6.680 -7.235 -13.838 225 HD1 PHE 28 HD1 PHE 28 -8.042 -9.346 -14.129 226 HD2 PHE 28 HD2 PHE 28 -6.688 -6.987 -17.402 227 HE1 PHE 28 HE1 PHE 28 -8.345 -11.267 -15.633 228 HE2 PHE 28 HE2 PHE 28 -7.000 -8.904 -18.912 229 HZ PHE 28 HZ PHE 28 -7.828 -11.047 -18.027 230 H SER 29 HN SER 29 -9.288 -5.505 -12.038 231 HA SER 29 HA SER 29 -8.647 -2.784 -11.937 232 HB2 SER 29 HB2 SER 29 -8.905 -3.019 -9.466 233 HB3 SER 29 HB1 SER 29 -10.233 -3.751 -10.368 234 HG SER 29 HG SER 29 -8.812 -5.752 -10.147 235 H LEU 30 HN LEU 30 -6.755 -1.756 -11.755 236 HA LEU 30 HA LEU 30 -4.361 -3.349 -11.342 237 HB2 LEU 30 HB2 LEU 30 -4.748 -1.415 -13.082 238 HB3 LEU 30 HB1 LEU 30 -4.355 -0.374 -11.730 239 HG LEU 30 HG LEU 30 -2.545 -2.491 -12.911 240 HD11 LEU 30 HD11 LEU 30 -2.836 -0.557 -14.360 241 HD12 LEU 30 HD12 LEU 30 -1.213 -0.595 -13.675 242 HD13 LEU 30 HD13 LEU 30 -2.416 0.518 -13.027 243 HD21 LEU 30 HD21 LEU 30 -2.152 -2.234 -10.518 244 HD22 LEU 30 HD22 LEU 30 -2.011 -0.487 -10.719 245 HD23 LEU 30 HD23 LEU 30 -0.818 -1.559 -11.453 246 H CYS 31 HN CYS 31 -4.168 -3.839 -9.230 247 HA CYS 31 HA CYS 31 -4.138 -1.579 -7.351 248 HB2 CYS 31 HB2 CYS 31 -4.920 -4.450 -6.805 249 HB3 CYS 31 HB1 CYS 31 -4.769 -3.196 -5.579 250 H CYS 32 HN CYS 32 -2.264 -1.167 -6.491 251 HA CYS 32 HA CYS 32 -0.063 -3.016 -6.914 252 HB2 CYS 32 HB2 CYS 32 0.029 -0.521 -7.441 253 HB3 CYS 32 HB1 CYS 32 0.064 -0.261 -5.701 254 H ARG 33 HN ARG 33 0.071 -4.525 -5.444 255 HA ARG 33 HA ARG 33 -1.068 -4.494 -2.886 256 HB2 ARG 33 HB2 ARG 33 1.307 -6.211 -3.530 257 HB3 ARG 33 HB1 ARG 33 -0.151 -6.625 -2.636 258 HG2 ARG 33 HG2 ARG 33 -1.428 -6.592 -4.738 259 HG3 ARG 33 HG1 ARG 33 0.061 -6.228 -5.613 260 HD2 ARG 33 HD2 ARG 33 -0.286 -8.557 -5.823 261 HD3 ARG 33 HD1 ARG 33 1.012 -8.349 -4.647 262 HE ARG 33 HE ARG 33 -1.747 -8.698 -3.705 263 HH11 ARG 33 HH11 ARG 33 1.537 -9.901 -3.982 264 HH12 ARG 33 HH12 ARG 33 1.293 -11.195 -2.849 265 HH21 ARG 33 HH21 ARG 33 -2.074 -10.388 -2.234 266 HH22 ARG 33 HH22 ARG 33 -0.770 -11.462 -1.823 Start of MODEL 8 1 H1 ARG 1 HT1 ARG 1 0.478 0.507 -0.213 2 H2 ARG 1 HT2 ARG 1 2.027 0.511 0.474 3 H3 ARG 1 HT3 ARG 1 1.366 -0.938 -0.117 4 HA ARG 1 HA ARG 1 1.409 -0.118 -2.349 5 HB2 ARG 1 HB2 ARG 1 1.072 2.286 -1.658 6 HB3 ARG 1 HB1 ARG 1 2.769 2.332 -1.206 7 HG2 ARG 1 HG2 ARG 1 3.337 1.739 -3.562 8 HG3 ARG 1 HG1 ARG 1 1.627 1.921 -3.958 9 HD2 ARG 1 HD2 ARG 1 1.771 4.251 -3.019 10 HD3 ARG 1 HD1 ARG 1 3.518 4.028 -2.931 11 HE ARG 1 HE ARG 1 1.990 3.896 -5.457 12 HH11 ARG 1 HH11 ARG 1 4.831 4.865 -3.633 13 HH12 ARG 1 HH12 ARG 1 5.571 5.660 -4.985 14 HH21 ARG 1 HH21 ARG 1 2.970 4.946 -7.217 15 HH22 ARG 1 HH22 ARG 1 4.519 5.708 -7.020 16 H ARG 2 HN ARG 2 2.749 -1.977 -2.283 17 HA ARG 2 HA ARG 2 5.604 -1.295 -2.295 18 HB2 ARG 2 HB2 ARG 2 4.694 -2.539 -0.154 19 HB3 ARG 2 HB1 ARG 2 4.756 -3.948 -1.205 20 HG2 ARG 2 HG2 ARG 2 6.797 -3.933 -0.057 21 HG3 ARG 2 HG1 ARG 2 7.168 -3.310 -1.669 22 HD2 ARG 2 HD2 ARG 2 6.948 -1.006 -0.756 23 HD3 ARG 2 HD1 ARG 2 6.758 -1.707 0.850 24 HE ARG 2 HE ARG 2 9.201 -1.486 -0.696 25 HH11 ARG 2 HH11 ARG 2 7.600 -3.092 1.972 26 HH12 ARG 2 HH12 ARG 2 9.060 -3.338 2.875 27 HH21 ARG 2 HH21 ARG 2 11.132 -1.800 0.490 28 HH22 ARG 2 HH22 ARG 2 11.077 -2.652 2.003 29 H THR 3 HN THR 3 3.101 -3.680 -3.116 30 HA THR 3 HA THR 3 4.737 -4.457 -5.450 31 HB THR 3 HB THR 3 2.635 -6.181 -4.133 32 HG1 THR 3 HG1 THR 3 5.455 -6.061 -3.650 33 HG21 THR 3 HG21 THR 3 4.907 -6.816 -6.022 34 HG22 THR 3 HG22 THR 3 3.192 -6.772 -6.430 35 HG23 THR 3 HG23 THR 3 3.801 -7.995 -5.317 36 H CYS 4 HN CYS 4 3.893 -3.527 -7.228 37 HA CYS 4 HA CYS 4 0.979 -3.067 -7.252 38 HB2 CYS 4 HB2 CYS 4 2.849 -1.496 -8.977 39 HB3 CYS 4 HB1 CYS 4 1.301 -1.026 -8.292 40 H ARG 5 HN ARG 5 -0.206 -3.802 -8.934 41 HA ARG 5 HA ARG 5 0.787 -4.073 -11.571 42 HB2 ARG 5 HB2 ARG 5 0.679 -6.452 -11.904 43 HB3 ARG 5 HB1 ARG 5 1.814 -6.125 -10.604 44 HG2 ARG 5 HG2 ARG 5 0.444 -7.022 -8.993 45 HG3 ARG 5 HG1 ARG 5 -1.021 -6.767 -9.946 46 HD2 ARG 5 HD2 ARG 5 1.152 -8.757 -10.587 47 HD3 ARG 5 HD1 ARG 5 -0.374 -9.142 -9.793 48 HE ARG 5 HE ARG 5 -1.179 -7.937 -12.071 49 HH11 ARG 5 HH11 ARG 5 1.004 -10.594 -11.426 50 HH12 ARG 5 HH12 ARG 5 0.727 -11.361 -12.957 51 HH21 ARG 5 HH21 ARG 5 -1.570 -8.941 -14.066 52 HH22 ARG 5 HH22 ARG 5 -0.753 -10.423 -14.470 53 H CYS 6 HN CYS 6 -0.887 -4.609 -13.089 54 HA CYS 6 HA CYS 6 -3.554 -4.192 -12.160 55 HB2 CYS 6 HB2 CYS 6 -3.040 -5.264 -14.866 56 HB3 CYS 6 HB1 CYS 6 -3.955 -3.838 -14.370 57 H ARG 7 HN ARG 7 -4.979 -5.703 -11.523 58 HA ARG 7 HA ARG 7 -4.363 -8.532 -12.094 59 HB2 ARG 7 HB2 ARG 7 -5.475 -7.265 -9.595 60 HB3 ARG 7 HB1 ARG 7 -5.543 -8.994 -9.905 61 HG2 ARG 7 HG2 ARG 7 -3.149 -9.144 -9.920 62 HG3 ARG 7 HG1 ARG 7 -3.000 -7.389 -9.796 63 HD2 ARG 7 HD2 ARG 7 -2.672 -8.639 -7.647 64 HD3 ARG 7 HD1 ARG 7 -3.908 -7.382 -7.601 65 HE ARG 7 HE ARG 7 -4.637 -10.215 -8.012 66 HH11 ARG 7 HH11 ARG 7 -4.880 -7.214 -6.243 67 HH12 ARG 7 HH12 ARG 7 -6.172 -7.759 -5.229 68 HH21 ARG 7 HH21 ARG 7 -6.363 -10.945 -6.710 69 HH22 ARG 7 HH22 ARG 7 -7.035 -9.888 -5.512 70 H PHE 8 HN PHE 8 -6.081 -9.927 -12.497 71 HA PHE 8 HA PHE 8 -8.180 -8.801 -13.987 72 HB2 PHE 8 HB2 PHE 8 -9.057 -11.072 -14.198 73 HB3 PHE 8 HB1 PHE 8 -7.317 -11.048 -14.443 74 HD1 PHE 8 HD1 PHE 8 -10.046 -12.361 -12.491 75 HD2 PHE 8 HD2 PHE 8 -5.819 -11.892 -12.628 76 HE1 PHE 8 HE1 PHE 8 -9.802 -14.125 -10.799 77 HE2 PHE 8 HE2 PHE 8 -5.567 -13.656 -10.930 78 HZ PHE 8 HZ PHE 8 -7.561 -14.776 -10.016 79 H GLY 9 HN GLY 9 -10.151 -8.139 -13.501 80 HA2 GLY 9 HA2 GLY 9 -12.190 -8.067 -12.380 81 HA3 GLY 9 HA1 GLY 9 -11.533 -9.155 -11.166 82 H ARG 10 HN ARG 10 -11.699 -8.194 -9.263 83 HA ARG 10 HA ARG 10 -11.005 -5.343 -9.062 84 HB2 ARG 10 HB2 ARG 10 -12.373 -5.381 -6.959 85 HB3 ARG 10 HB1 ARG 10 -13.285 -5.646 -8.436 86 HG2 ARG 10 HG2 ARG 10 -14.189 -7.223 -7.037 87 HG3 ARG 10 HG1 ARG 10 -12.953 -8.165 -7.869 88 HD2 ARG 10 HD2 ARG 10 -11.424 -7.756 -5.965 89 HD3 ARG 10 HD1 ARG 10 -12.734 -6.920 -5.131 90 HE ARG 10 HE ARG 10 -13.102 -9.710 -5.982 91 HH11 ARG 10 HH11 ARG 10 -12.737 -7.360 -3.406 92 HH12 ARG 10 HH12 ARG 10 -13.340 -8.424 -2.167 93 HH21 ARG 10 HH21 ARG 10 -13.882 -11.116 -4.361 94 HH22 ARG 10 HH22 ARG 10 -13.994 -10.565 -2.720 95 H CYS 11 HN CYS 11 -10.237 -4.786 -6.743 96 HA CYS 11 HA CYS 11 -8.128 -6.729 -6.073 97 HB2 CYS 11 HB2 CYS 11 -8.137 -3.740 -5.591 98 HB3 CYS 11 HB1 CYS 11 -6.786 -4.841 -5.342 99 H PHE 12 HN PHE 12 -7.293 -6.149 -3.687 100 HA PHE 12 HA PHE 12 -9.632 -6.546 -1.976 101 HB2 PHE 12 HB2 PHE 12 -6.680 -6.870 -1.382 102 HB3 PHE 12 HB1 PHE 12 -7.989 -7.247 -0.267 103 HD1 PHE 12 HD1 PHE 12 -9.822 -8.880 -1.312 104 HD2 PHE 12 HD2 PHE 12 -5.761 -8.608 -2.552 105 HE1 PHE 12 HE1 PHE 12 -9.954 -11.157 -2.236 106 HE2 PHE 12 HE2 PHE 12 -5.885 -10.881 -3.479 107 HZ PHE 12 HZ PHE 12 -7.985 -12.158 -3.327 108 H ARG 13 HN ARG 13 -9.468 -5.509 0.266 109 HA ARG 13 HA ARG 13 -9.419 -2.676 -0.251 110 HB2 ARG 13 HB2 ARG 13 -10.099 -4.089 2.330 111 HB3 ARG 13 HB1 ARG 13 -10.503 -2.434 1.893 112 HG2 ARG 13 HG2 ARG 13 -11.861 -3.374 0.000 113 HG3 ARG 13 HG1 ARG 13 -11.607 -4.969 0.713 114 HD2 ARG 13 HD2 ARG 13 -13.700 -4.207 1.509 115 HD3 ARG 13 HD1 ARG 13 -12.567 -4.028 2.849 116 HE ARG 13 HE ARG 13 -12.998 -1.689 1.154 117 HH11 ARG 13 HH11 ARG 13 -13.651 -3.328 4.183 118 HH12 ARG 13 HH12 ARG 13 -14.319 -1.920 4.944 119 HH21 ARG 13 HH21 ARG 13 -13.865 0.174 2.173 120 HH22 ARG 13 HH22 ARG 13 -14.443 0.062 3.811 121 H ARG 14 HN ARG 14 -6.979 -4.661 0.477 122 HA ARG 14 HA ARG 14 -5.659 -2.774 2.300 123 HB2 ARG 14 HB2 ARG 14 -4.621 -5.433 1.299 124 HB3 ARG 14 HB1 ARG 14 -3.911 -4.439 2.562 125 HG2 ARG 14 HG2 ARG 14 -6.079 -4.772 3.838 126 HG3 ARG 14 HG1 ARG 14 -6.459 -6.023 2.653 127 HD2 ARG 14 HD2 ARG 14 -4.179 -5.932 4.610 128 HD3 ARG 14 HD1 ARG 14 -5.459 -7.137 4.478 129 HE ARG 14 HE ARG 14 -3.323 -6.798 2.459 130 HH11 ARG 14 HH11 ARG 14 -5.445 -8.819 4.373 131 HH12 ARG 14 HH12 ARG 14 -4.806 -10.307 3.744 132 HH21 ARG 14 HH21 ARG 14 -2.470 -8.741 1.632 133 HH22 ARG 14 HH22 ARG 14 -3.094 -10.266 2.193 134 H GLU 15 HN GLU 15 -6.150 -3.183 -0.897 135 HA GLU 15 HA GLU 15 -3.451 -2.329 -1.694 136 HB2 GLU 15 HB2 GLU 15 -5.728 -3.388 -3.387 137 HB3 GLU 15 HB1 GLU 15 -4.116 -2.987 -3.965 138 HG2 GLU 15 HG2 GLU 15 -3.149 -4.767 -2.691 139 HG3 GLU 15 HG1 GLU 15 -4.692 -5.103 -1.907 140 H SER 16 HN SER 16 -3.206 -0.491 -2.997 141 HA SER 16 HA SER 16 -5.485 1.342 -2.966 142 HB2 SER 16 HB2 SER 16 -2.561 1.861 -3.561 143 HB3 SER 16 HB1 SER 16 -3.823 3.091 -3.479 144 HG SER 16 HG SER 16 -4.113 1.897 -1.246 145 H TYR 17 HN TYR 17 -6.386 2.135 -4.821 146 HA TYR 17 HA TYR 17 -5.934 0.552 -7.199 147 HB2 TYR 17 HB2 TYR 17 -8.213 1.182 -6.347 148 HB3 TYR 17 HB1 TYR 17 -7.851 2.853 -6.758 149 HD1 TYR 17 HD1 TYR 17 -8.280 3.657 -8.919 150 HD2 TYR 17 HD2 TYR 17 -8.194 -0.541 -8.234 151 HE1 TYR 17 HE1 TYR 17 -9.152 3.275 -11.186 152 HE2 TYR 17 HE2 TYR 17 -9.062 -0.937 -10.500 153 HH TYR 17 HH TYR 17 -9.239 1.555 -12.864 154 H SER 18 HN SER 18 -4.251 1.097 -8.411 155 HA SER 18 HA SER 18 -3.310 3.815 -8.588 156 HB2 SER 18 HB2 SER 18 -2.385 1.454 -10.227 157 HB3 SER 18 HB1 SER 18 -1.482 2.913 -9.822 158 HG SER 18 HG SER 18 -1.825 2.138 -7.536 159 H GLY 19 HN GLY 19 -4.737 1.423 -10.806 160 HA2 GLY 19 HA2 GLY 19 -6.231 3.317 -12.260 161 HA3 GLY 19 HA1 GLY 19 -4.721 3.023 -13.113 162 H SER 20 HN SER 20 -5.710 2.017 -14.882 163 HA SER 20 HA SER 20 -6.698 -0.693 -14.302 164 HB2 SER 20 HB2 SER 20 -8.379 -0.404 -16.133 165 HB3 SER 20 HB1 SER 20 -8.669 0.641 -14.743 166 HG SER 20 HG SER 20 -8.568 2.252 -16.073 167 H CYS 21 HN CYS 21 -6.057 -2.280 -15.710 168 HA CYS 21 HA CYS 21 -4.495 -1.448 -18.051 169 HB2 CYS 21 HB2 CYS 21 -3.967 -3.807 -16.277 170 HB3 CYS 21 HB1 CYS 21 -3.078 -3.402 -17.744 171 H ASN 22 HN ASN 22 -5.742 -1.926 -19.787 172 HA ASN 22 HA ASN 22 -7.361 -4.370 -19.715 173 HB2 ASN 22 HB2 ASN 22 -8.496 -2.303 -20.397 174 HB3 ASN 22 HB1 ASN 22 -7.353 -2.102 -21.720 175 HD21 ASN 22 HD21 ASN 22 -8.928 -2.151 -23.279 176 HD22 ASN 22 HD22 ASN 22 -9.779 -3.602 -23.702 177 H ILE 23 HN ILE 23 -6.133 -6.069 -20.204 178 HA ILE 23 HA ILE 23 -4.587 -5.980 -22.707 179 HB ILE 23 HB ILE 23 -3.662 -7.327 -20.154 180 HG12 ILE 23 HG12 ILE 23 -2.541 -4.886 -21.548 181 HG13 ILE 23 HG11 ILE 23 -3.498 -4.848 -20.072 182 HG21 ILE 23 HG21 ILE 23 -1.565 -7.694 -21.416 183 HG22 ILE 23 HG22 ILE 23 -2.352 -7.060 -22.859 184 HG23 ILE 23 HG23 ILE 23 -2.946 -8.542 -22.113 185 HD11 ILE 23 HD11 ILE 23 -1.131 -4.621 -19.594 186 HD12 ILE 23 HD12 ILE 23 -0.810 -6.158 -20.397 187 HD13 ILE 23 HD13 ILE 23 -1.767 -6.118 -18.916 188 H ASN 24 HN ASN 24 -4.786 -7.771 -23.983 189 HA ASN 24 HA ASN 24 -5.433 -9.814 -24.742 190 HB2 ASN 24 HB2 ASN 24 -4.206 -10.611 -22.689 191 HB3 ASN 24 HB1 ASN 24 -5.740 -10.611 -21.834 192 HD21 ASN 24 HD21 ASN 24 -3.882 -12.085 -24.396 193 HD22 ASN 24 HD22 ASN 24 -4.803 -13.557 -24.480 194 H GLY 25 HN GLY 25 -7.324 -7.616 -23.583 195 HA2 GLY 25 HA2 GLY 25 -9.588 -7.288 -24.032 196 HA3 GLY 25 HA1 GLY 25 -9.764 -9.016 -24.306 197 H ARG 26 HN ARG 26 -8.088 -8.371 -21.462 198 HA ARG 26 HA ARG 26 -10.545 -8.697 -19.871 199 HB2 ARG 26 HB2 ARG 26 -7.785 -9.810 -19.298 200 HB3 ARG 26 HB1 ARG 26 -9.179 -9.959 -18.240 201 HG2 ARG 26 HG2 ARG 26 -9.111 -11.065 -21.035 202 HG3 ARG 26 HG1 ARG 26 -8.624 -11.986 -19.613 203 HD2 ARG 26 HD2 ARG 26 -10.865 -12.581 -20.035 204 HD3 ARG 26 HD1 ARG 26 -10.910 -11.480 -18.662 205 HE ARG 26 HE ARG 26 -11.279 -10.058 -21.091 206 HH11 ARG 26 HH11 ARG 26 -12.921 -12.232 -18.894 207 HH12 ARG 26 HH12 ARG 26 -14.512 -11.647 -19.286 208 HH21 ARG 26 HH21 ARG 26 -13.382 -9.306 -21.649 209 HH22 ARG 26 HH22 ARG 26 -14.773 -10.010 -20.875 210 H ILE 27 HN ILE 27 -10.822 -7.277 -18.222 211 HA ILE 27 HA ILE 27 -8.959 -5.070 -18.140 212 HB ILE 27 HB ILE 27 -11.309 -4.515 -18.243 213 HG12 ILE 27 HG12 ILE 27 -10.052 -3.840 -15.582 214 HG13 ILE 27 HG11 ILE 27 -9.829 -2.978 -17.097 215 HG21 ILE 27 HG21 ILE 27 -11.598 -5.968 -15.618 216 HG22 ILE 27 HG22 ILE 27 -12.272 -6.461 -17.170 217 HG23 ILE 27 HG23 ILE 27 -12.846 -4.989 -16.389 218 HD11 ILE 27 HD11 ILE 27 -12.424 -3.206 -15.590 219 HD12 ILE 27 HD12 ILE 27 -12.160 -2.308 -17.085 220 HD13 ILE 27 HD13 ILE 27 -11.353 -1.805 -15.599 221 H PHE 28 HN PHE 28 -7.242 -5.268 -16.947 222 HA PHE 28 HA PHE 28 -7.384 -6.633 -14.359 223 HB2 PHE 28 HB2 PHE 28 -4.959 -5.616 -15.862 224 HB3 PHE 28 HB1 PHE 28 -4.948 -6.629 -14.427 225 HD1 PHE 28 HD1 PHE 28 -4.838 -6.571 -17.950 226 HD2 PHE 28 HD2 PHE 28 -6.081 -8.947 -14.652 227 HE1 PHE 28 HE1 PHE 28 -4.785 -8.574 -19.376 228 HE2 PHE 28 HE2 PHE 28 -6.030 -10.955 -16.069 229 HZ PHE 28 HZ PHE 28 -5.383 -10.772 -18.435 230 H SER 29 HN SER 29 -7.884 -5.323 -12.709 231 HA SER 29 HA SER 29 -7.555 -2.497 -12.797 232 HB2 SER 29 HB2 SER 29 -8.125 -4.326 -10.449 233 HB3 SER 29 HB1 SER 29 -8.284 -2.569 -10.438 234 HG SER 29 HG SER 29 -9.967 -4.481 -11.442 235 H LEU 30 HN LEU 30 -5.762 -1.402 -12.486 236 HA LEU 30 HA LEU 30 -3.361 -2.696 -11.574 237 HB2 LEU 30 HB2 LEU 30 -3.206 -1.083 -13.369 238 HB3 LEU 30 HB1 LEU 30 -3.971 0.149 -12.387 239 HG LEU 30 HG LEU 30 -1.994 0.171 -10.904 240 HD11 LEU 30 HD11 LEU 30 -1.213 -2.102 -11.257 241 HD12 LEU 30 HD12 LEU 30 0.060 -0.941 -11.633 242 HD13 LEU 30 HD13 LEU 30 -0.832 -1.725 -12.936 243 HD21 LEU 30 HD21 LEU 30 -1.386 0.599 -13.827 244 HD22 LEU 30 HD22 LEU 30 -0.504 1.305 -12.472 245 HD23 LEU 30 HD23 LEU 30 -2.187 1.751 -12.756 246 H CYS 31 HN CYS 31 -3.190 -3.102 -9.467 247 HA CYS 31 HA CYS 31 -3.742 -0.904 -7.589 248 HB2 CYS 31 HB2 CYS 31 -4.376 -3.835 -7.167 249 HB3 CYS 31 HB1 CYS 31 -4.552 -2.576 -5.950 250 H CYS 32 HN CYS 32 -2.581 -1.221 -5.493 251 HA CYS 32 HA CYS 32 -0.165 -2.831 -5.712 252 HB2 CYS 32 HB2 CYS 32 0.300 -0.549 -6.661 253 HB3 CYS 32 HB1 CYS 32 -0.089 0.129 -5.085 254 H ARG 33 HN ARG 33 0.142 -3.861 -3.838 255 HA ARG 33 HA ARG 33 -1.062 -2.705 -1.418 256 HB2 ARG 33 HB2 ARG 33 -1.222 -4.875 -0.467 257 HB3 ARG 33 HB1 ARG 33 -1.823 -5.018 -2.108 258 HG2 ARG 33 HG2 ARG 33 0.996 -5.742 -1.363 259 HG3 ARG 33 HG1 ARG 33 -0.341 -6.881 -1.237 260 HD2 ARG 33 HD2 ARG 33 0.536 -5.468 -3.754 261 HD3 ARG 33 HD1 ARG 33 0.899 -7.141 -3.332 262 HE ARG 33 HE ARG 33 -1.763 -6.071 -4.004 263 HH11 ARG 33 HH11 ARG 33 0.357 -8.808 -3.449 264 HH12 ARG 33 HH12 ARG 33 -0.729 -9.953 -4.186 265 HH21 ARG 33 HH21 ARG 33 -3.188 -7.548 -4.936 266 HH22 ARG 33 HH22 ARG 33 -2.748 -9.233 -5.035 Start of MODEL 9 1 H1 ARG 1 HT1 ARG 1 2.078 -0.137 -0.046 2 H2 ARG 1 HT2 ARG 1 1.491 -1.618 -0.641 3 H3 ARG 1 HT3 ARG 1 0.421 -0.350 -0.312 4 HA ARG 1 HA ARG 1 0.945 -0.735 -2.694 5 HB2 ARG 1 HB2 ARG 1 1.472 1.821 -3.018 6 HB3 ARG 1 HB1 ARG 1 -0.077 1.292 -2.381 7 HG2 ARG 1 HG2 ARG 1 0.775 1.704 -0.093 8 HG3 ARG 1 HG1 ARG 1 2.259 2.346 -0.801 9 HD2 ARG 1 HD2 ARG 1 1.086 4.134 -1.842 10 HD3 ARG 1 HD1 ARG 1 -0.477 3.419 -1.449 11 HE ARG 1 HE ARG 1 0.272 3.815 0.972 12 HH11 ARG 1 HH11 ARG 1 1.159 5.851 -1.736 13 HH12 ARG 1 HH12 ARG 1 1.304 7.291 -0.777 14 HH21 ARG 1 HH21 ARG 1 0.470 5.721 2.244 15 HH22 ARG 1 HH22 ARG 1 0.931 7.211 1.482 16 H ARG 2 HN ARG 2 2.773 -2.145 -2.741 17 HA ARG 2 HA ARG 2 5.131 -0.723 -3.738 18 HB2 ARG 2 HB2 ARG 2 6.606 -2.422 -2.640 19 HB3 ARG 2 HB1 ARG 2 5.810 -1.328 -1.516 20 HG2 ARG 2 HG2 ARG 2 4.192 -3.028 -0.950 21 HG3 ARG 2 HG1 ARG 2 4.876 -4.117 -2.156 22 HD2 ARG 2 HD2 ARG 2 6.939 -4.257 -0.936 23 HD3 ARG 2 HD1 ARG 2 6.391 -3.030 0.209 24 HE ARG 2 HE ARG 2 4.589 -4.694 0.797 25 HH11 ARG 2 HH11 ARG 2 7.683 -5.722 -0.486 26 HH12 ARG 2 HH12 ARG 2 7.650 -7.267 0.309 27 HH21 ARG 2 HH21 ARG 2 4.540 -6.726 1.848 28 HH22 ARG 2 HH22 ARG 2 5.859 -7.834 1.640 29 H THR 3 HN THR 3 3.101 -3.579 -3.629 30 HA THR 3 HA THR 3 4.471 -4.622 -6.026 31 HB THR 3 HB THR 3 2.465 -6.137 -4.356 32 HG1 THR 3 HG1 THR 3 5.260 -5.795 -3.968 33 HG21 THR 3 HG21 THR 3 2.918 -7.014 -6.591 34 HG22 THR 3 HG22 THR 3 3.557 -8.093 -5.352 35 HG23 THR 3 HG23 THR 3 4.646 -7.031 -6.243 36 H CYS 4 HN CYS 4 3.464 -3.358 -7.583 37 HA CYS 4 HA CYS 4 0.534 -3.218 -7.500 38 HB2 CYS 4 HB2 CYS 4 2.275 -1.525 -9.266 39 HB3 CYS 4 HB1 CYS 4 0.661 -1.185 -8.658 40 H ARG 5 HN ARG 5 -0.701 -4.028 -9.077 41 HA ARG 5 HA ARG 5 0.059 -4.049 -11.786 42 HB2 ARG 5 HB2 ARG 5 0.032 -6.411 -12.308 43 HB3 ARG 5 HB1 ARG 5 1.324 -6.073 -11.169 44 HG2 ARG 5 HG2 ARG 5 0.261 -7.178 -9.439 45 HG3 ARG 5 HG1 ARG 5 -1.330 -7.045 -10.198 46 HD2 ARG 5 HD2 ARG 5 0.913 -8.649 -11.402 47 HD3 ARG 5 HD1 ARG 5 -0.221 -9.338 -10.242 48 HE ARG 5 HE ARG 5 -1.990 -8.966 -11.825 49 HH11 ARG 5 HH11 ARG 5 1.228 -8.450 -13.121 50 HH12 ARG 5 HH12 ARG 5 0.746 -8.754 -14.758 51 HH21 ARG 5 HH21 ARG 5 -2.617 -9.368 -13.989 52 HH22 ARG 5 HH22 ARG 5 -1.427 -9.267 -15.262 53 H CYS 6 HN CYS 6 -1.678 -4.694 -13.178 54 HA CYS 6 HA CYS 6 -4.220 -4.069 -12.052 55 HB2 CYS 6 HB2 CYS 6 -4.172 -5.067 -14.787 56 HB3 CYS 6 HB1 CYS 6 -4.592 -3.464 -14.182 57 H ARG 7 HN ARG 7 -5.832 -5.445 -11.467 58 HA ARG 7 HA ARG 7 -5.372 -8.317 -11.943 59 HB2 ARG 7 HB2 ARG 7 -6.851 -7.162 -9.578 60 HB3 ARG 7 HB1 ARG 7 -6.282 -8.810 -9.785 61 HG2 ARG 7 HG2 ARG 7 -3.961 -8.006 -9.663 62 HG3 ARG 7 HG1 ARG 7 -4.561 -6.368 -9.398 63 HD2 ARG 7 HD2 ARG 7 -4.034 -7.241 -7.262 64 HD3 ARG 7 HD1 ARG 7 -5.792 -7.273 -7.391 65 HE ARG 7 HE ARG 7 -4.964 -9.742 -8.242 66 HH11 ARG 7 HH11 ARG 7 -4.730 -7.861 -5.296 67 HH12 ARG 7 HH12 ARG 7 -4.498 -9.255 -4.276 68 HH21 ARG 7 HH21 ARG 7 -4.738 -11.580 -6.910 69 HH22 ARG 7 HH22 ARG 7 -4.528 -11.379 -5.192 70 H PHE 8 HN PHE 8 -7.166 -9.662 -12.249 71 HA PHE 8 HA PHE 8 -9.376 -8.325 -13.559 72 HB2 PHE 8 HB2 PHE 8 -10.050 -10.656 -14.204 73 HB3 PHE 8 HB1 PHE 8 -8.452 -10.178 -14.763 74 HD1 PHE 8 HD1 PHE 8 -6.445 -11.146 -13.746 75 HD2 PHE 8 HD2 PHE 8 -10.344 -12.426 -12.625 76 HE1 PHE 8 HE1 PHE 8 -5.481 -13.159 -12.723 77 HE2 PHE 8 HE2 PHE 8 -9.384 -14.445 -11.592 78 HZ PHE 8 HZ PHE 8 -6.948 -14.811 -11.641 79 H GLY 9 HN GLY 9 -11.421 -8.210 -12.847 80 HA2 GLY 9 HA2 GLY 9 -13.314 -8.777 -11.633 81 HA3 GLY 9 HA1 GLY 9 -12.380 -10.006 -10.795 82 H ARG 10 HN ARG 10 -11.411 -9.533 -8.874 83 HA ARG 10 HA ARG 10 -12.214 -6.958 -7.694 84 HB2 ARG 10 HB2 ARG 10 -12.334 -8.087 -5.549 85 HB3 ARG 10 HB1 ARG 10 -13.327 -8.947 -6.719 86 HG2 ARG 10 HG2 ARG 10 -11.669 -10.656 -6.969 87 HG3 ARG 10 HG1 ARG 10 -10.524 -9.750 -5.978 88 HD2 ARG 10 HD2 ARG 10 -12.058 -9.970 -4.061 89 HD3 ARG 10 HD1 ARG 10 -13.138 -10.943 -5.062 90 HE ARG 10 HE ARG 10 -10.812 -12.276 -5.283 91 HH11 ARG 10 HH11 ARG 10 -12.546 -11.055 -2.486 92 HH12 ARG 10 HH12 ARG 10 -11.979 -12.321 -1.438 93 HH21 ARG 10 HH21 ARG 10 -10.044 -13.921 -3.885 94 HH22 ARG 10 HH22 ARG 10 -10.543 -13.927 -2.216 95 H CYS 11 HN CYS 11 -10.829 -6.072 -6.057 96 HA CYS 11 HA CYS 11 -8.069 -7.112 -6.043 97 HB2 CYS 11 HB2 CYS 11 -9.045 -4.260 -5.817 98 HB3 CYS 11 HB1 CYS 11 -7.417 -4.751 -5.375 99 H PHE 12 HN PHE 12 -6.940 -6.417 -3.925 100 HA PHE 12 HA PHE 12 -8.705 -7.140 -1.733 101 HB2 PHE 12 HB2 PHE 12 -6.274 -7.962 -2.084 102 HB3 PHE 12 HB1 PHE 12 -5.798 -6.383 -1.471 103 HD1 PHE 12 HD1 PHE 12 -5.032 -6.542 0.684 104 HD2 PHE 12 HD2 PHE 12 -8.404 -8.857 -0.481 105 HE1 PHE 12 HE1 PHE 12 -5.251 -7.382 2.988 106 HE2 PHE 12 HE2 PHE 12 -8.631 -9.697 1.816 107 HZ PHE 12 HZ PHE 12 -7.055 -8.961 3.557 108 H ARG 13 HN ARG 13 -9.077 -5.802 0.103 109 HA ARG 13 HA ARG 13 -9.488 -3.077 -0.659 110 HB2 ARG 13 HB2 ARG 13 -10.027 -4.537 1.928 111 HB3 ARG 13 HB1 ARG 13 -10.462 -2.855 1.646 112 HG2 ARG 13 HG2 ARG 13 -11.868 -3.537 -0.234 113 HG3 ARG 13 HG1 ARG 13 -11.440 -5.220 0.060 114 HD2 ARG 13 HD2 ARG 13 -12.488 -5.131 2.246 115 HD3 ARG 13 HD1 ARG 13 -12.857 -3.420 2.022 116 HE ARG 13 HE ARG 13 -13.985 -4.760 -0.127 117 HH11 ARG 13 HH11 ARG 13 -14.339 -4.748 3.361 118 HH12 ARG 13 HH12 ARG 13 -16.026 -5.171 3.321 119 HH21 ARG 13 HH21 ARG 13 -16.195 -5.330 -0.185 120 HH22 ARG 13 HH22 ARG 13 -17.074 -5.517 1.305 121 H ARG 14 HN ARG 14 -6.812 -4.592 0.517 122 HA ARG 14 HA ARG 14 -5.824 -2.235 1.927 123 HB2 ARG 14 HB2 ARG 14 -4.767 -5.025 1.584 124 HB3 ARG 14 HB1 ARG 14 -3.733 -3.727 2.163 125 HG2 ARG 14 HG2 ARG 14 -5.199 -3.360 4.050 126 HG3 ARG 14 HG1 ARG 14 -6.306 -4.602 3.456 127 HD2 ARG 14 HD2 ARG 14 -4.732 -5.333 5.283 128 HD3 ARG 14 HD1 ARG 14 -4.716 -6.320 3.821 129 HE ARG 14 HE ARG 14 -2.615 -5.329 3.229 130 HH11 ARG 14 HH11 ARG 14 -3.759 -4.465 6.427 131 HH12 ARG 14 HH12 ARG 14 -2.169 -4.133 7.045 132 HH21 ARG 14 HH21 ARG 14 -0.529 -4.880 4.030 133 HH22 ARG 14 HH22 ARG 14 -0.322 -4.383 5.684 134 H GLU 15 HN GLU 15 -6.022 -3.368 -1.183 135 HA GLU 15 HA GLU 15 -3.426 -2.484 -2.077 136 HB2 GLU 15 HB2 GLU 15 -5.871 -3.365 -3.611 137 HB3 GLU 15 HB1 GLU 15 -4.340 -2.930 -4.355 138 HG2 GLU 15 HG2 GLU 15 -3.274 -4.750 -3.013 139 HG3 GLU 15 HG1 GLU 15 -4.894 -5.237 -2.516 140 H SER 16 HN SER 16 -2.915 -0.564 -2.905 141 HA SER 16 HA SER 16 -4.856 1.569 -2.827 142 HB2 SER 16 HB2 SER 16 -1.990 1.606 -3.814 143 HB3 SER 16 HB1 SER 16 -2.983 3.012 -3.421 144 HG SER 16 HG SER 16 -3.059 1.451 -1.302 145 H TYR 17 HN TYR 17 -5.884 2.492 -4.540 146 HA TYR 17 HA TYR 17 -5.838 0.932 -6.993 147 HB2 TYR 17 HB2 TYR 17 -7.956 1.591 -5.792 148 HB3 TYR 17 HB1 TYR 17 -7.629 3.254 -6.254 149 HD1 TYR 17 HD1 TYR 17 -8.101 -0.133 -7.749 150 HD2 TYR 17 HD2 TYR 17 -8.509 4.073 -8.239 151 HE1 TYR 17 HE1 TYR 17 -9.321 -0.501 -9.851 152 HE2 TYR 17 HE2 TYR 17 -9.726 3.710 -10.344 153 HH TYR 17 HH TYR 17 -10.068 2.084 -12.017 154 H SER 18 HN SER 18 -4.283 1.478 -8.373 155 HA SER 18 HA SER 18 -3.377 4.205 -8.639 156 HB2 SER 18 HB2 SER 18 -2.596 1.752 -10.229 157 HB3 SER 18 HB1 SER 18 -1.743 3.295 -10.198 158 HG SER 18 HG SER 18 -0.726 2.572 -8.524 159 H GLY 19 HN GLY 19 -4.973 1.807 -10.732 160 HA2 GLY 19 HA2 GLY 19 -6.596 3.674 -12.068 161 HA3 GLY 19 HA1 GLY 19 -5.140 3.419 -13.021 162 H SER 20 HN SER 20 -5.640 2.109 -14.676 163 HA SER 20 HA SER 20 -6.786 -0.490 -14.105 164 HB2 SER 20 HB2 SER 20 -8.591 -0.198 -15.828 165 HB3 SER 20 HB1 SER 20 -8.822 0.760 -14.365 166 HG SER 20 HG SER 20 -7.645 1.738 -16.761 167 H CYS 21 HN CYS 21 -6.367 -2.029 -15.671 168 HA CYS 21 HA CYS 21 -4.827 -1.114 -18.006 169 HB2 CYS 21 HB2 CYS 21 -4.484 -3.699 -16.508 170 HB3 CYS 21 HB1 CYS 21 -3.576 -3.193 -17.929 171 H ASN 22 HN ASN 22 -6.201 -1.275 -19.703 172 HA ASN 22 HA ASN 22 -8.094 -3.463 -19.870 173 HB2 ASN 22 HB2 ASN 22 -8.590 -1.152 -20.739 174 HB3 ASN 22 HB1 ASN 22 -7.385 -1.423 -21.993 175 HD21 ASN 22 HD21 ASN 22 -10.230 -0.885 -22.216 176 HD22 ASN 22 HD22 ASN 22 -10.902 -2.209 -23.108 177 H ILE 23 HN ILE 23 -7.223 -5.410 -20.242 178 HA ILE 23 HA ILE 23 -5.049 -5.589 -22.221 179 HB ILE 23 HB ILE 23 -5.606 -7.472 -19.922 180 HG12 ILE 23 HG12 ILE 23 -3.381 -5.438 -20.227 181 HG13 ILE 23 HG11 ILE 23 -4.793 -5.234 -19.196 182 HG21 ILE 23 HG21 ILE 23 -3.410 -8.432 -20.494 183 HG22 ILE 23 HG22 ILE 23 -3.318 -7.355 -21.887 184 HG23 ILE 23 HG23 ILE 23 -4.572 -8.590 -21.809 185 HD11 ILE 23 HD11 ILE 23 -4.113 -7.132 -17.854 186 HD12 ILE 23 HD12 ILE 23 -2.826 -5.929 -17.932 187 HD13 ILE 23 HD13 ILE 23 -2.725 -7.398 -18.906 188 H ASN 24 HN ASN 24 -5.885 -6.237 -24.076 189 HA ASN 24 HA ASN 24 -6.781 -7.601 -25.652 190 HB2 ASN 24 HB2 ASN 24 -6.798 -9.565 -23.354 191 HB3 ASN 24 HB1 ASN 24 -7.243 -9.997 -25.002 192 HD21 ASN 24 HD21 ASN 24 -5.006 -10.816 -23.213 193 HD22 ASN 24 HD22 ASN 24 -3.567 -10.537 -24.142 194 H GLY 25 HN GLY 25 -8.504 -5.940 -23.822 195 HA2 GLY 25 HA2 GLY 25 -10.764 -5.437 -24.445 196 HA3 GLY 25 HA1 GLY 25 -11.040 -7.154 -24.694 197 H ARG 26 HN ARG 26 -9.338 -7.111 -21.938 198 HA ARG 26 HA ARG 26 -11.770 -6.862 -20.302 199 HB2 ARG 26 HB2 ARG 26 -9.438 -8.758 -19.961 200 HB3 ARG 26 HB1 ARG 26 -10.747 -8.574 -18.799 201 HG2 ARG 26 HG2 ARG 26 -12.350 -9.272 -20.523 202 HG3 ARG 26 HG1 ARG 26 -11.014 -9.502 -21.649 203 HD2 ARG 26 HD2 ARG 26 -10.060 -11.196 -20.155 204 HD3 ARG 26 HD1 ARG 26 -11.415 -10.972 -19.047 205 HE ARG 26 HE ARG 26 -12.597 -11.547 -21.440 206 HH11 ARG 26 HH11 ARG 26 -10.261 -13.171 -19.378 207 HH12 ARG 26 HH12 ARG 26 -10.683 -14.761 -19.945 208 HH21 ARG 26 HH21 ARG 26 -13.152 -13.637 -22.161 209 HH22 ARG 26 HH22 ARG 26 -12.311 -15.023 -21.538 210 H ILE 27 HN ILE 27 -11.684 -5.637 -18.513 211 HA ILE 27 HA ILE 27 -9.284 -3.997 -18.291 212 HB ILE 27 HB ILE 27 -11.340 -2.769 -18.571 213 HG12 ILE 27 HG12 ILE 27 -10.307 -2.523 -15.740 214 HG13 ILE 27 HG11 ILE 27 -9.578 -1.795 -17.165 215 HG21 ILE 27 HG21 ILE 27 -12.300 -4.118 -16.048 216 HG22 ILE 27 HG22 ILE 27 -12.926 -4.374 -17.676 217 HG23 ILE 27 HG23 ILE 27 -13.132 -2.809 -16.891 218 HD11 ILE 27 HD11 ILE 27 -10.855 -0.164 -15.910 219 HD12 ILE 27 HD12 ILE 27 -12.302 -1.160 -16.054 220 HD13 ILE 27 HD13 ILE 27 -11.584 -0.437 -17.494 221 H PHE 28 HN PHE 28 -7.809 -4.711 -16.965 222 HA PHE 28 HA PHE 28 -8.505 -6.003 -14.456 223 HB2 PHE 28 HB2 PHE 28 -5.823 -5.406 -15.737 224 HB3 PHE 28 HB1 PHE 28 -6.047 -6.324 -14.256 225 HD1 PHE 28 HD1 PHE 28 -6.148 -8.623 -14.379 226 HD2 PHE 28 HD2 PHE 28 -7.063 -6.341 -17.850 227 HE1 PHE 28 HE1 PHE 28 -6.307 -10.693 -15.698 228 HE2 PHE 28 HE2 PHE 28 -7.231 -8.408 -19.172 229 HZ PHE 28 HZ PHE 28 -6.854 -10.588 -18.097 230 H SER 29 HN SER 29 -8.760 -4.783 -12.660 231 HA SER 29 HA SER 29 -8.215 -1.997 -12.656 232 HB2 SER 29 HB2 SER 29 -8.768 -2.297 -10.137 233 HB3 SER 29 HB1 SER 29 -10.029 -2.639 -11.319 234 HG SER 29 HG SER 29 -8.481 -4.432 -9.786 235 H LEU 30 HN LEU 30 -6.372 -0.966 -12.211 236 HA LEU 30 HA LEU 30 -4.038 -2.516 -11.568 237 HB2 LEU 30 HB2 LEU 30 -3.916 -0.728 -13.208 238 HB3 LEU 30 HB1 LEU 30 -4.413 0.447 -12.010 239 HG LEU 30 HG LEU 30 -2.305 0.107 -10.789 240 HD11 LEU 30 HD11 LEU 30 -0.512 -1.216 -11.764 241 HD12 LEU 30 HD12 LEU 30 -1.586 -1.741 -13.060 242 HD13 LEU 30 HD13 LEU 30 -1.912 -2.230 -11.398 243 HD21 LEU 30 HD21 LEU 30 -0.819 1.130 -12.446 244 HD22 LEU 30 HD22 LEU 30 -2.433 1.841 -12.493 245 HD23 LEU 30 HD23 LEU 30 -1.943 0.680 -13.729 246 H CYS 31 HN CYS 31 -3.990 -3.217 -9.545 247 HA CYS 31 HA CYS 31 -4.332 -1.264 -7.370 248 HB2 CYS 31 HB2 CYS 31 -4.907 -4.239 -7.293 249 HB3 CYS 31 HB1 CYS 31 -5.185 -3.088 -5.987 250 H CYS 32 HN CYS 32 -3.113 -2.118 -5.293 251 HA CYS 32 HA CYS 32 -0.579 -3.331 -5.980 252 HB2 CYS 32 HB2 CYS 32 -0.421 -0.972 -6.749 253 HB3 CYS 32 HB1 CYS 32 -0.724 -0.443 -5.100 254 H ARG 33 HN ARG 33 -0.056 -4.577 -4.314 255 HA ARG 33 HA ARG 33 -1.145 -4.201 -1.681 256 HB2 ARG 33 HB2 ARG 33 0.803 -6.171 -2.859 257 HB3 ARG 33 HB1 ARG 33 0.544 -6.093 -1.124 258 HG2 ARG 33 HG2 ARG 33 -0.846 -7.806 -1.874 259 HG3 ARG 33 HG1 ARG 33 -1.922 -6.430 -1.634 260 HD2 ARG 33 HD2 ARG 33 -2.507 -7.476 -3.691 261 HD3 ARG 33 HD1 ARG 33 -1.724 -5.944 -4.065 262 HE ARG 33 HE ARG 33 0.078 -8.180 -4.062 263 HH11 ARG 33 HH11 ARG 33 -2.244 -6.367 -5.975 264 HH12 ARG 33 HH12 ARG 33 -1.561 -6.880 -7.491 265 HH21 ARG 33 HH21 ARG 33 0.958 -8.864 -6.028 266 HH22 ARG 33 HH22 ARG 33 0.274 -8.307 -7.523 Start of MODEL 10 1 H1 ARG 1 HT1 ARG 1 2.140 0.517 -0.994 2 H2 ARG 1 HT2 ARG 1 1.676 2.031 -1.611 3 H3 ARG 1 HT3 ARG 1 3.248 1.797 -1.018 4 HA ARG 1 HA ARG 1 2.127 0.310 -3.300 5 HB2 ARG 1 HB2 ARG 1 3.503 1.788 -4.753 6 HB3 ARG 1 HB1 ARG 1 2.173 2.619 -3.968 7 HG2 ARG 1 HG2 ARG 1 3.862 4.141 -3.732 8 HG3 ARG 1 HG1 ARG 1 3.981 3.264 -2.207 9 HD2 ARG 1 HD2 ARG 1 5.781 1.883 -3.171 10 HD3 ARG 1 HD1 ARG 1 5.681 2.822 -4.661 11 HE ARG 1 HE ARG 1 6.109 4.754 -2.894 12 HH11 ARG 1 HH11 ARG 1 7.727 1.664 -3.340 13 HH12 ARG 1 HH12 ARG 1 9.207 2.208 -2.614 14 HH21 ARG 1 HH21 ARG 1 8.064 5.454 -1.974 15 HH22 ARG 1 HH22 ARG 1 9.413 4.360 -1.856 16 H ARG 2 HN ARG 2 3.446 -1.181 -4.145 17 HA ARG 2 HA ARG 2 6.237 -1.323 -3.737 18 HB2 ARG 2 HB2 ARG 2 5.543 -1.929 -1.439 19 HB3 ARG 2 HB1 ARG 2 4.571 -3.242 -2.089 20 HG2 ARG 2 HG2 ARG 2 6.628 -4.132 -1.248 21 HG3 ARG 2 HG1 ARG 2 6.630 -4.254 -3.010 22 HD2 ARG 2 HD2 ARG 2 8.787 -3.482 -2.264 23 HD3 ARG 2 HD1 ARG 2 7.960 -2.174 -3.112 24 HE ARG 2 HE ARG 2 7.511 -2.095 -0.294 25 HH11 ARG 2 HH11 ARG 2 9.811 -1.253 -2.797 26 HH12 ARG 2 HH12 ARG 2 10.550 0.015 -1.862 27 HH21 ARG 2 HH21 ARG 2 8.472 -0.433 0.925 28 HH22 ARG 2 HH22 ARG 2 9.782 0.486 0.250 29 H THR 3 HN THR 3 3.356 -3.397 -4.018 30 HA THR 3 HA THR 3 4.587 -4.574 -6.426 31 HB THR 3 HB THR 3 2.676 -5.984 -4.549 32 HG1 THR 3 HG1 THR 3 5.517 -5.945 -4.684 33 HG21 THR 3 HG21 THR 3 3.357 -7.988 -5.788 34 HG22 THR 3 HG22 THR 3 4.377 -6.995 -6.828 35 HG23 THR 3 HG23 THR 3 2.626 -6.793 -6.858 36 H CYS 4 HN CYS 4 3.588 -3.498 -8.034 37 HA CYS 4 HA CYS 4 0.674 -3.087 -7.791 38 HB2 CYS 4 HB2 CYS 4 2.406 -1.554 -9.701 39 HB3 CYS 4 HB1 CYS 4 0.884 -1.080 -8.961 40 H ARG 5 HN ARG 5 -0.624 -3.962 -9.306 41 HA ARG 5 HA ARG 5 0.071 -4.142 -12.027 42 HB2 ARG 5 HB2 ARG 5 0.062 -6.533 -12.403 43 HB3 ARG 5 HB1 ARG 5 1.368 -6.118 -11.304 44 HG2 ARG 5 HG2 ARG 5 0.406 -7.200 -9.536 45 HG3 ARG 5 HG1 ARG 5 -1.235 -6.967 -10.143 46 HD2 ARG 5 HD2 ARG 5 0.800 -8.817 -11.382 47 HD3 ARG 5 HD1 ARG 5 -0.462 -9.328 -10.260 48 HE ARG 5 HE ARG 5 -2.008 -8.268 -12.032 49 HH11 ARG 5 HH11 ARG 5 0.940 -10.033 -12.746 50 HH12 ARG 5 HH12 ARG 5 0.413 -10.505 -14.334 51 HH21 ARG 5 HH21 ARG 5 -2.692 -8.889 -14.089 52 HH22 ARG 5 HH22 ARG 5 -1.666 -9.871 -15.096 53 H CYS 6 HN CYS 6 -1.699 -4.868 -13.354 54 HA CYS 6 HA CYS 6 -4.274 -4.480 -12.183 55 HB2 CYS 6 HB2 CYS 6 -4.138 -5.628 -14.871 56 HB3 CYS 6 HB1 CYS 6 -4.818 -4.088 -14.337 57 H ARG 7 HN ARG 7 -5.620 -6.032 -11.378 58 HA ARG 7 HA ARG 7 -4.783 -8.830 -11.756 59 HB2 ARG 7 HB2 ARG 7 -6.415 -7.729 -9.470 60 HB3 ARG 7 HB1 ARG 7 -5.674 -9.318 -9.579 61 HG2 ARG 7 HG2 ARG 7 -3.452 -8.263 -9.516 62 HG3 ARG 7 HG1 ARG 7 -4.230 -6.688 -9.339 63 HD2 ARG 7 HD2 ARG 7 -3.542 -7.517 -7.167 64 HD3 ARG 7 HD1 ARG 7 -5.303 -7.473 -7.268 65 HE ARG 7 HE ARG 7 -4.582 -10.016 -8.046 66 HH11 ARG 7 HH11 ARG 7 -4.318 -8.047 -5.148 67 HH12 ARG 7 HH12 ARG 7 -4.173 -9.422 -4.094 68 HH21 ARG 7 HH21 ARG 7 -4.410 -11.795 -6.672 69 HH22 ARG 7 HH22 ARG 7 -4.227 -11.560 -4.961 70 H PHE 8 HN PHE 8 -6.265 -10.414 -12.237 71 HA PHE 8 HA PHE 8 -8.723 -9.483 -13.436 72 HB2 PHE 8 HB2 PHE 8 -7.309 -11.279 -14.474 73 HB3 PHE 8 HB1 PHE 8 -7.769 -12.341 -13.146 74 HD1 PHE 8 HD1 PHE 8 -9.102 -10.374 -15.980 75 HD2 PHE 8 HD2 PHE 8 -9.800 -13.515 -13.197 76 HE1 PHE 8 HE1 PHE 8 -11.127 -11.017 -17.222 77 HE2 PHE 8 HE2 PHE 8 -11.822 -14.166 -14.434 78 HZ PHE 8 HZ PHE 8 -12.488 -12.918 -16.448 79 H GLY 9 HN GLY 9 -10.207 -8.895 -11.978 80 HA2 GLY 9 HA2 GLY 9 -12.091 -10.178 -10.817 81 HA3 GLY 9 HA1 GLY 9 -10.800 -10.742 -9.761 82 H ARG 10 HN ARG 10 -11.383 -9.779 -7.869 83 HA ARG 10 HA ARG 10 -11.492 -6.836 -7.913 84 HB2 ARG 10 HB2 ARG 10 -12.803 -6.886 -5.899 85 HB3 ARG 10 HB1 ARG 10 -13.558 -7.947 -7.076 86 HG2 ARG 10 HG2 ARG 10 -13.668 -9.419 -5.406 87 HG3 ARG 10 HG1 ARG 10 -11.946 -9.673 -5.694 88 HD2 ARG 10 HD2 ARG 10 -11.399 -7.996 -4.017 89 HD3 ARG 10 HD1 ARG 10 -13.114 -7.681 -3.756 90 HE ARG 10 HE ARG 10 -12.024 -10.364 -3.255 91 HH11 ARG 10 HH11 ARG 10 -13.615 -7.458 -2.114 92 HH12 ARG 10 HH12 ARG 10 -13.927 -8.097 -0.527 93 HH21 ARG 10 HH21 ARG 10 -12.437 -11.206 -1.159 94 HH22 ARG 10 HH22 ARG 10 -13.252 -10.209 0.014 95 H CYS 11 HN CYS 11 -10.381 -5.716 -6.197 96 HA CYS 11 HA CYS 11 -7.967 -7.164 -5.391 97 HB2 CYS 11 HB2 CYS 11 -8.558 -4.195 -5.397 98 HB3 CYS 11 HB1 CYS 11 -7.019 -4.926 -4.952 99 H PHE 12 HN PHE 12 -7.050 -6.645 -3.235 100 HA PHE 12 HA PHE 12 -9.135 -6.955 -1.245 101 HB2 PHE 12 HB2 PHE 12 -6.119 -7.040 -1.043 102 HB3 PHE 12 HB1 PHE 12 -7.205 -7.306 0.317 103 HD1 PHE 12 HD1 PHE 12 -5.973 -8.667 -2.860 104 HD2 PHE 12 HD2 PHE 12 -8.411 -9.359 0.558 105 HE1 PHE 12 HE1 PHE 12 -6.117 -11.052 -3.451 106 HE2 PHE 12 HE2 PHE 12 -8.561 -11.743 -0.027 107 HZ PHE 12 HZ PHE 12 -7.415 -12.593 -2.032 108 H ARG 13 HN ARG 13 -8.900 -5.737 0.856 109 HA ARG 13 HA ARG 13 -9.172 -2.963 0.315 110 HB2 ARG 13 HB2 ARG 13 -9.186 -4.619 2.809 111 HB3 ARG 13 HB1 ARG 13 -9.110 -2.871 2.936 112 HG2 ARG 13 HG2 ARG 13 -11.382 -3.604 3.165 113 HG3 ARG 13 HG1 ARG 13 -11.205 -2.713 1.653 114 HD2 ARG 13 HD2 ARG 13 -11.231 -4.724 0.377 115 HD3 ARG 13 HD1 ARG 13 -11.106 -5.717 1.831 116 HE ARG 13 HE ARG 13 -13.364 -4.774 2.412 117 HH11 ARG 13 HH11 ARG 13 -12.303 -5.109 -0.910 118 HH12 ARG 13 HH12 ARG 13 -13.917 -5.224 -1.547 119 HH21 ARG 13 HH21 ARG 13 -15.478 -4.946 1.581 120 HH22 ARG 13 HH22 ARG 13 -15.724 -5.104 -0.131 121 H ARG 14 HN ARG 14 -6.528 -4.937 1.403 122 HA ARG 14 HA ARG 14 -5.034 -2.806 2.561 123 HB2 ARG 14 HB2 ARG 14 -3.138 -4.526 2.450 124 HB3 ARG 14 HB1 ARG 14 -4.528 -4.875 3.464 125 HG2 ARG 14 HG2 ARG 14 -4.039 -6.884 2.384 126 HG3 ARG 14 HG1 ARG 14 -5.427 -6.228 1.521 127 HD2 ARG 14 HD2 ARG 14 -4.290 -6.077 -0.398 128 HD3 ARG 14 HD1 ARG 14 -2.880 -5.371 0.393 129 HE ARG 14 HE ARG 14 -2.660 -7.917 1.149 130 HH11 ARG 14 HH11 ARG 14 -3.483 -6.665 -2.025 131 HH12 ARG 14 HH12 ARG 14 -2.609 -7.900 -2.870 132 HH21 ARG 14 HH21 ARG 14 -1.549 -9.536 0.053 133 HH22 ARG 14 HH22 ARG 14 -1.491 -9.547 -1.685 134 H GLU 15 HN GLU 15 -5.752 -3.198 -0.580 135 HA GLU 15 HA GLU 15 -3.271 -1.837 -1.361 136 HB2 GLU 15 HB2 GLU 15 -3.334 -2.957 -3.553 137 HB3 GLU 15 HB1 GLU 15 -3.111 -4.094 -2.234 138 HG2 GLU 15 HG2 GLU 15 -5.616 -4.492 -2.358 139 HG3 GLU 15 HG1 GLU 15 -5.562 -3.628 -3.895 140 H SER 16 HN SER 16 -3.507 -0.127 -2.756 141 HA SER 16 HA SER 16 -6.166 1.007 -2.750 142 HB2 SER 16 HB2 SER 16 -4.187 2.382 -2.158 143 HB3 SER 16 HB1 SER 16 -3.579 2.181 -3.801 144 HG SER 16 HG SER 16 -6.150 3.249 -3.278 145 H TYR 17 HN TYR 17 -7.385 1.517 -4.513 146 HA TYR 17 HA TYR 17 -6.892 -0.047 -6.896 147 HB2 TYR 17 HB2 TYR 17 -9.144 0.212 -5.771 148 HB3 TYR 17 HB1 TYR 17 -9.152 1.880 -6.322 149 HD1 TYR 17 HD1 TYR 17 -9.903 2.423 -8.490 150 HD2 TYR 17 HD2 TYR 17 -9.077 -1.633 -7.500 151 HE1 TYR 17 HE1 TYR 17 -10.959 1.701 -10.593 152 HE2 TYR 17 HE2 TYR 17 -10.125 -2.366 -9.598 153 HH TYR 17 HH TYR 17 -11.049 -0.144 -12.088 154 H SER 18 HN SER 18 -5.461 0.772 -8.296 155 HA SER 18 HA SER 18 -5.096 3.627 -8.574 156 HB2 SER 18 HB2 SER 18 -3.810 1.380 -10.145 157 HB3 SER 18 HB1 SER 18 -3.264 3.056 -10.061 158 HG SER 18 HG SER 18 -3.553 1.915 -7.601 159 H GLY 19 HN GLY 19 -6.221 0.940 -10.592 160 HA2 GLY 19 HA2 GLY 19 -8.146 2.445 -11.972 161 HA3 GLY 19 HA1 GLY 19 -6.677 2.417 -12.938 162 H SER 20 HN SER 20 -7.344 1.120 -14.587 163 HA SER 20 HA SER 20 -7.623 -1.696 -13.941 164 HB2 SER 20 HB2 SER 20 -9.650 -1.780 -15.541 165 HB3 SER 20 HB1 SER 20 -9.917 -1.208 -13.893 166 HG SER 20 HG SER 20 -9.210 0.860 -15.457 167 H CYS 21 HN CYS 21 -6.646 -2.940 -15.394 168 HA CYS 21 HA CYS 21 -5.686 -1.710 -17.862 169 HB2 CYS 21 HB2 CYS 21 -4.888 -4.268 -16.495 170 HB3 CYS 21 HB1 CYS 21 -4.207 -3.686 -18.013 171 H ASN 22 HN ASN 22 -6.689 -2.165 -19.749 172 HA ASN 22 HA ASN 22 -8.526 -4.448 -19.784 173 HB2 ASN 22 HB2 ASN 22 -9.282 -2.113 -20.485 174 HB3 ASN 22 HB1 ASN 22 -8.275 -2.324 -21.915 175 HD21 ASN 22 HD21 ASN 22 -10.075 -4.896 -20.355 176 HD22 ASN 22 HD22 ASN 22 -11.219 -5.132 -21.635 177 H ILE 23 HN ILE 23 -6.987 -6.071 -19.991 178 HA ILE 23 HA ILE 23 -5.223 -5.972 -22.335 179 HB ILE 23 HB ILE 23 -5.175 -7.880 -19.988 180 HG12 ILE 23 HG12 ILE 23 -3.370 -5.529 -20.595 181 HG13 ILE 23 HG11 ILE 23 -4.630 -5.544 -19.367 182 HG21 ILE 23 HG21 ILE 23 -4.230 -8.850 -22.015 183 HG22 ILE 23 HG22 ILE 23 -2.973 -8.528 -20.821 184 HG23 ILE 23 HG23 ILE 23 -3.175 -7.450 -22.201 185 HD11 ILE 23 HD11 ILE 23 -2.415 -5.880 -18.405 186 HD12 ILE 23 HD12 ILE 23 -2.198 -7.317 -19.403 187 HD13 ILE 23 HD13 ILE 23 -3.443 -7.291 -18.156 188 H ASN 24 HN ASN 24 -5.880 -6.976 -24.108 189 HA ASN 24 HA ASN 24 -6.620 -8.607 -25.510 190 HB2 ASN 24 HB2 ASN 24 -6.333 -10.210 -22.977 191 HB3 ASN 24 HB1 ASN 24 -6.950 -10.943 -24.454 192 HD21 ASN 24 HD21 ASN 24 -5.137 -12.336 -24.367 193 HD22 ASN 24 HD22 ASN 24 -3.588 -11.800 -24.944 194 H GLY 25 HN GLY 25 -8.456 -6.908 -23.854 195 HA2 GLY 25 HA2 GLY 25 -10.752 -6.571 -24.082 196 HA3 GLY 25 HA1 GLY 25 -10.906 -8.219 -24.680 197 H ARG 26 HN ARG 26 -9.104 -7.835 -21.803 198 HA ARG 26 HA ARG 26 -11.437 -8.631 -20.183 199 HB2 ARG 26 HB2 ARG 26 -8.572 -9.538 -19.817 200 HB3 ARG 26 HB1 ARG 26 -9.957 -10.046 -18.859 201 HG2 ARG 26 HG2 ARG 26 -10.931 -11.117 -20.821 202 HG3 ARG 26 HG1 ARG 26 -9.552 -10.596 -21.790 203 HD2 ARG 26 HD2 ARG 26 -8.057 -11.926 -20.403 204 HD3 ARG 26 HD1 ARG 26 -9.413 -12.409 -19.385 205 HE ARG 26 HE ARG 26 -9.253 -13.113 -22.249 206 HH11 ARG 26 HH11 ARG 26 -9.797 -13.976 -18.903 207 HH12 ARG 26 HH12 ARG 26 -10.300 -15.597 -19.264 208 HH21 ARG 26 HH21 ARG 26 -9.909 -15.238 -22.733 209 HH22 ARG 26 HH22 ARG 26 -10.376 -16.310 -21.453 210 H ILE 27 HN ILE 27 -11.455 -7.831 -18.003 211 HA ILE 27 HA ILE 27 -9.826 -5.411 -17.752 212 HB ILE 27 HB ILE 27 -12.229 -5.035 -17.680 213 HG12 ILE 27 HG12 ILE 27 -10.838 -4.576 -15.035 214 HG13 ILE 27 HG11 ILE 27 -10.769 -3.531 -16.447 215 HG21 ILE 27 HG21 ILE 27 -12.227 -6.785 -15.229 216 HG22 ILE 27 HG22 ILE 27 -12.981 -7.151 -16.780 217 HG23 ILE 27 HG23 ILE 27 -13.588 -5.817 -15.798 218 HD11 ILE 27 HD11 ILE 27 -13.173 -3.092 -16.220 219 HD12 ILE 27 HD12 ILE 27 -12.265 -2.616 -14.785 220 HD13 ILE 27 HD13 ILE 27 -13.208 -4.106 -14.782 221 H PHE 28 HN PHE 28 -8.085 -5.579 -16.596 222 HA PHE 28 HA PHE 28 -8.108 -7.203 -14.152 223 HB2 PHE 28 HB2 PHE 28 -5.757 -6.100 -15.714 224 HB3 PHE 28 HB1 PHE 28 -5.657 -7.145 -14.306 225 HD1 PHE 28 HD1 PHE 28 -5.824 -9.488 -14.503 226 HD2 PHE 28 HD2 PHE 28 -6.655 -7.005 -17.855 227 HE1 PHE 28 HE1 PHE 28 -5.800 -11.464 -15.967 228 HE2 PHE 28 HE2 PHE 28 -6.637 -8.979 -19.326 229 HZ PHE 28 HZ PHE 28 -6.207 -11.214 -18.380 230 H SER 29 HN SER 29 -8.397 -6.030 -12.334 231 HA SER 29 HA SER 29 -8.392 -3.186 -12.401 232 HB2 SER 29 HB2 SER 29 -8.717 -3.487 -9.870 233 HB3 SER 29 HB1 SER 29 -9.951 -4.170 -10.927 234 HG SER 29 HG SER 29 -8.052 -5.440 -9.331 235 H LEU 30 HN LEU 30 -6.677 -1.910 -12.293 236 HA LEU 30 HA LEU 30 -4.085 -2.913 -11.598 237 HB2 LEU 30 HB2 LEU 30 -4.347 -1.258 -13.356 238 HB3 LEU 30 HB1 LEU 30 -5.049 -0.121 -12.222 239 HG LEU 30 HG LEU 30 -2.887 -0.017 -11.019 240 HD11 LEU 30 HD11 LEU 30 -1.891 -1.728 -13.292 241 HD12 LEU 30 HD12 LEU 30 -2.034 -2.222 -11.605 242 HD13 LEU 30 HD13 LEU 30 -0.892 -0.958 -12.060 243 HD21 LEU 30 HD21 LEU 30 -3.402 1.648 -12.701 244 HD22 LEU 30 HD22 LEU 30 -2.779 0.593 -13.971 245 HD23 LEU 30 HD23 LEU 30 -1.683 1.250 -12.752 246 H CYS 31 HN CYS 31 -3.606 -3.305 -9.560 247 HA CYS 31 HA CYS 31 -4.234 -1.258 -7.554 248 HB2 CYS 31 HB2 CYS 31 -4.567 -4.247 -7.186 249 HB3 CYS 31 HB1 CYS 31 -4.803 -3.026 -5.938 250 H CYS 32 HN CYS 32 -2.861 -1.465 -5.588 251 HA CYS 32 HA CYS 32 -0.409 -2.934 -5.839 252 HB2 CYS 32 HB2 CYS 32 -0.041 -0.963 -7.313 253 HB3 CYS 32 HB1 CYS 32 -0.363 0.093 -5.942 254 H ARG 33 HN ARG 33 0.628 -3.123 -3.876 255 HA ARG 33 HA ARG 33 -0.476 -1.556 -1.658 256 HB2 ARG 33 HB2 ARG 33 -0.643 -3.419 -0.229 257 HB3 ARG 33 HB1 ARG 33 -1.353 -3.951 -1.740 258 HG2 ARG 33 HG2 ARG 33 1.412 -4.627 -0.749 259 HG3 ARG 33 HG1 ARG 33 0.007 -5.687 -0.705 260 HD2 ARG 33 HD2 ARG 33 1.384 -4.618 -3.165 261 HD3 ARG 33 HD1 ARG 33 1.455 -6.270 -2.560 262 HE ARG 33 HE ARG 33 -1.114 -5.106 -3.402 263 HH11 ARG 33 HH11 ARG 33 1.331 -7.593 -3.621 264 HH12 ARG 33 HH12 ARG 33 0.487 -8.506 -4.843 265 HH21 ARG 33 HH21 ARG 33 -2.261 -6.303 -4.989 266 HH22 ARG 33 HH22 ARG 33 -1.543 -7.763 -5.640
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