NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
636694 | 6cuc | 27433 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 2.255 4.627 -1.894 2 HA2 GLY 1 HA2 GLY 1 5.167 4.555 -1.959 3 HA3 GLY 1 HA3 GLY 1 4.352 4.211 -3.477 4 H ASP 2 H ASP 2 6.133 6.407 -2.884 5 HA ASP 2 HA ASP 2 6.318 8.661 -3.160 6 HB2 ASP 2 HB2 ASP 2 3.678 8.499 -4.611 7 HB3 ASP 2 HB3 ASP 2 5.005 9.623 -4.893 8 H CYS 3 H CYS 3 5.526 8.240 -0.696 9 HA CYS 3 HA CYS 3 3.990 10.558 -0.057 10 HB2 CYS 3 HB2 CYS 3 2.135 9.485 1.079 11 HB3 CYS 3 HB3 CYS 3 2.167 8.967 -0.604 12 H ALA 4 H ALA 4 4.071 11.089 2.168 13 HA ALA 4 HA ALA 4 6.338 9.919 3.532 14 HB1 ALA 4 HB1 ALA 4 6.419 11.824 4.783 15 HB2 ALA 4 HB2 ALA 4 5.569 12.443 3.367 16 HB3 ALA 4 HB3 ALA 4 4.665 12.011 4.818 17 H LYS 5 H LYS 5 6.289 8.572 5.229 18 HA LYS 5 HA LYS 5 3.982 7.133 5.889 19 HB2 LYS 5 HB2 LYS 5 6.607 7.445 7.347 20 HB3 LYS 5 HB3 LYS 5 5.353 6.319 7.850 21 HG2 LYS 5 HG2 LYS 5 6.408 6.234 5.057 22 HG3 LYS 5 HG3 LYS 5 7.312 5.487 6.376 23 HD2 LYS 5 HD2 LYS 5 4.400 4.895 6.025 24 HD3 LYS 5 HD3 LYS 5 5.598 4.070 5.025 25 HE2 LYS 5 HE2 LYS 5 5.831 4.167 8.017 26 HE3 LYS 5 HE3 LYS 5 4.866 2.936 7.204 27 HZ1 LYS 5 HZ1 LYS 5 7.002 2.543 5.854 28 HZ2 LYS 5 HZ2 LYS 5 6.917 1.933 7.429 29 HZ3 LYS 5 HZ3 LYS 5 7.782 3.353 7.119 30 H GLU 6 H GLU 6 3.332 6.885 8.323 31 HA GLU 6 HA GLU 6 2.051 9.307 9.066 32 HB2 GLU 6 HB2 GLU 6 0.943 7.246 9.553 33 HB3 GLU 6 HB3 GLU 6 2.327 6.644 10.455 34 HG2 GLU 6 HG2 GLU 6 1.955 8.328 12.173 35 HG3 GLU 6 HG3 GLU 6 0.583 8.960 11.264 36 H GLY 7 H GLY 7 2.802 10.937 10.244 37 HA2 GLY 7 HA2 GLY 7 3.843 11.898 12.132 38 HA3 GLY 7 HA3 GLY 7 4.763 10.417 12.350 39 H GLU 8 H GLU 8 5.521 10.368 9.483 40 HA GLU 8 HA GLU 8 7.967 11.757 9.704 41 HB2 GLU 8 HB2 GLU 8 6.566 10.305 7.493 42 HB3 GLU 8 HB3 GLU 8 7.996 11.260 7.129 43 HG2 GLU 8 HG2 GLU 8 7.915 9.084 9.202 44 HG3 GLU 8 HG3 GLU 8 8.427 8.842 7.533 45 H VAL 9 H VAL 9 8.767 13.430 8.235 46 HA VAL 9 HA VAL 9 6.998 15.669 8.169 47 HB VAL 9 HB VAL 9 9.703 15.453 6.848 48 HG11 VAL 9 HG11 VAL 9 7.789 17.627 7.347 49 HG12 VAL 9 HG12 VAL 9 9.467 17.995 7.749 50 HG13 VAL 9 HG13 VAL 9 9.043 17.476 6.117 51 HG21 VAL 9 HG21 VAL 9 10.461 15.060 8.924 52 HG22 VAL 9 HG22 VAL 9 10.134 16.772 9.191 53 HG23 VAL 9 HG23 VAL 9 8.948 15.562 9.679 54 H CYS 10 H CYS 10 6.265 16.835 6.360 55 HA CYS 10 HA CYS 10 6.223 15.306 3.840 56 HB2 CYS 10 HB2 CYS 10 3.956 15.968 3.460 57 HB3 CYS 10 HB3 CYS 10 4.039 15.321 5.095 58 H SER 11 H SER 11 6.459 16.431 1.939 59 HA SER 11 HA SER 11 7.026 19.312 2.189 60 HB2 SER 11 HB2 SER 11 8.792 19.057 0.507 61 HB3 SER 11 HB3 SER 11 9.110 18.025 1.901 62 HG SER 11 HG SER 11 9.042 17.265 -0.567 63 H TRP 12 H TRP 12 7.318 20.070 -0.349 64 HA TRP 12 HA TRP 12 4.699 20.236 -1.323 65 HB2 TRP 12 HB2 TRP 12 6.445 21.900 -1.826 66 HB3 TRP 12 HB3 TRP 12 7.288 20.712 -2.817 67 HD1 TRP 12 HD1 TRP 12 4.445 23.193 -2.914 68 HE1 TRP 12 HE1 TRP 12 3.454 23.262 -5.288 69 HE3 TRP 12 HE3 TRP 12 6.846 19.147 -4.915 70 HZ2 TRP 12 HZ2 TRP 12 3.661 21.796 -7.691 71 HZ3 TRP 12 HZ3 TRP 12 6.394 18.547 -7.258 72 HH2 TRP 12 HH2 TRP 12 4.834 19.845 -8.616 73 H GLY 13 H GLY 13 7.378 18.115 -2.214 74 HA2 GLY 13 HA2 GLY 13 5.754 16.844 -4.283 75 HA3 GLY 13 HA3 GLY 13 7.451 16.528 -3.953 76 H LYS 14 H LYS 14 6.799 16.290 -1.024 77 HA LYS 14 HA LYS 14 5.856 13.511 -1.150 78 HB2 LYS 14 HB2 LYS 14 8.156 14.271 -0.143 79 HB3 LYS 14 HB3 LYS 14 7.183 14.700 1.258 80 HG2 LYS 14 HG2 LYS 14 7.735 12.582 1.841 81 HG3 LYS 14 HG3 LYS 14 6.272 12.236 0.914 82 HD2 LYS 14 HD2 LYS 14 7.783 10.717 0.037 83 HD3 LYS 14 HD3 LYS 14 7.901 12.061 -1.102 84 HE2 LYS 14 HE2 LYS 14 9.720 12.158 1.220 85 HE3 LYS 14 HE3 LYS 14 10.030 10.878 0.048 86 HZ1 LYS 14 HZ1 LYS 14 11.084 12.403 -1.145 87 HZ2 LYS 14 HZ2 LYS 14 10.548 13.667 -0.158 88 HZ3 LYS 14 HZ3 LYS 14 9.590 13.138 -1.448 89 H LYS 15 H LYS 15 3.731 13.397 -0.788 90 HA LYS 15 HA LYS 15 2.562 15.089 1.312 91 HB2 LYS 15 HB2 LYS 15 0.371 14.412 0.245 92 HB3 LYS 15 HB3 LYS 15 1.419 15.422 -0.742 93 HG2 LYS 15 HG2 LYS 15 2.079 13.575 -2.081 94 HG3 LYS 15 HG3 LYS 15 1.311 12.427 -0.982 95 HD2 LYS 15 HD2 LYS 15 -0.181 12.626 -2.785 96 HD3 LYS 15 HD3 LYS 15 -0.872 13.639 -1.515 97 HE2 LYS 15 HE2 LYS 15 0.061 15.622 -2.562 98 HE3 LYS 15 HE3 LYS 15 0.834 14.631 -3.797 99 HZ1 LYS 15 HZ1 LYS 15 -1.031 14.581 -4.971 100 HZ2 LYS 15 HZ2 LYS 15 -1.666 15.748 -3.925 101 HZ3 LYS 15 HZ3 LYS 15 -1.959 14.107 -3.638 102 H CYS 16 H CYS 16 1.334 14.204 2.961 103 HA CYS 16 HA CYS 16 2.113 11.787 4.045 104 HB2 CYS 16 HB2 CYS 16 -0.544 13.172 4.470 105 HB3 CYS 16 HB3 CYS 16 0.197 11.995 5.550 106 H CYS 17 H CYS 17 1.552 9.709 3.792 107 HA CYS 17 HA CYS 17 0.270 8.768 1.536 108 HB2 CYS 17 HB2 CYS 17 0.490 7.375 4.214 109 HB3 CYS 17 HB3 CYS 17 0.172 6.591 2.670 110 H ASP 18 H ASP 18 -1.078 9.552 4.686 111 HA ASP 18 HA ASP 18 -3.763 8.940 3.639 112 HB2 ASP 18 HB2 ASP 18 -2.560 8.702 6.360 113 HB3 ASP 18 HB3 ASP 18 -4.273 9.091 6.238 114 H LEU 19 H LEU 19 -4.395 10.840 2.750 115 HA LEU 19 HA LEU 19 -3.883 13.366 4.032 116 HB2 LEU 19 HB2 LEU 19 -5.695 12.754 1.703 117 HB3 LEU 19 HB3 LEU 19 -5.093 14.340 2.181 118 HG LEU 19 HG LEU 19 -3.496 12.065 1.012 119 HD11 LEU 19 HD11 LEU 19 -3.994 14.840 -0.045 120 HD12 LEU 19 HD12 LEU 19 -4.911 13.416 -0.534 121 HD13 LEU 19 HD13 LEU 19 -3.182 13.507 -0.865 122 HD21 LEU 19 HD21 LEU 19 -2.596 14.733 2.087 123 HD22 LEU 19 HD22 LEU 19 -1.606 13.681 1.075 124 HD23 LEU 19 HD23 LEU 19 -2.130 13.134 2.668 125 H ASP 20 H ASP 20 -6.606 11.170 3.675 126 HA ASP 20 HA ASP 20 -8.622 12.857 4.665 127 HB2 ASP 20 HB2 ASP 20 -8.340 9.851 4.675 128 HB3 ASP 20 HB3 ASP 20 -9.790 10.680 5.235 129 H ASN 21 H ASN 21 -6.299 10.769 6.286 130 HA ASN 21 HA ASN 21 -7.441 11.422 8.893 131 HB2 ASN 21 HB2 ASN 21 -5.446 9.417 7.907 132 HB3 ASN 21 HB3 ASN 21 -5.433 9.877 9.607 133 HD21 ASN 21 HD21 ASN 21 -7.429 8.558 7.034 134 HD22 ASN 21 HD22 ASN 21 -8.503 7.682 8.066 135 H PHE 22 H PHE 22 -4.197 11.450 7.403 136 HA PHE 22 HA PHE 22 -3.392 13.528 9.299 137 HB2 PHE 22 HB2 PHE 22 -1.626 12.107 7.306 138 HB3 PHE 22 HB3 PHE 22 -1.133 13.001 8.740 139 HD1 PHE 22 HD1 PHE 22 -0.902 9.938 7.623 140 HD2 PHE 22 HD2 PHE 22 -2.912 11.946 10.792 141 HE1 PHE 22 HE1 PHE 22 -0.925 7.851 8.925 142 HE2 PHE 22 HE2 PHE 22 -2.938 9.862 12.100 143 HZ PHE 22 HZ PHE 22 -1.945 7.811 11.167 144 H TYR 23 H TYR 23 -2.072 15.339 8.476 145 HA TYR 23 HA TYR 23 -2.422 16.061 5.693 146 HB2 TYR 23 HB2 TYR 23 -3.678 18.055 6.056 147 HB3 TYR 23 HB3 TYR 23 -4.541 16.760 6.878 148 HD1 TYR 23 HD1 TYR 23 -3.586 20.054 7.187 149 HD2 TYR 23 HD2 TYR 23 -3.640 16.441 9.434 150 HE1 TYR 23 HE1 TYR 23 -3.543 21.357 9.272 151 HE2 TYR 23 HE2 TYR 23 -3.598 17.735 11.526 152 HH TYR 23 HH TYR 23 -4.192 21.059 11.642 153 H CYS 24 H CYS 24 -1.574 18.453 5.432 154 HA CYS 24 HA CYS 24 0.943 18.593 6.949 155 HB2 CYS 24 HB2 CYS 24 0.235 19.536 4.168 156 HB3 CYS 24 HB3 CYS 24 1.735 19.974 4.980 157 HA PRO 25 HA PRO 25 -1.351 22.237 8.502 158 HB2 PRO 25 HB2 PRO 25 -0.119 22.235 10.921 159 HB3 PRO 25 HB3 PRO 25 -1.519 21.221 10.555 160 HG2 PRO 25 HG2 PRO 25 1.386 20.500 10.583 161 HG3 PRO 25 HG3 PRO 25 0.002 19.590 11.215 162 HD2 PRO 25 HD2 PRO 25 1.160 19.015 8.836 163 HD3 PRO 25 HD3 PRO 25 -0.574 18.778 9.136 164 H MET 26 H MET 26 -0.675 24.357 8.741 165 HA MET 26 HA MET 26 1.946 24.960 7.712 166 HB2 MET 26 HB2 MET 26 -0.060 26.249 7.045 167 HB3 MET 26 HB3 MET 26 -0.215 26.831 8.697 168 HG2 MET 26 HG2 MET 26 1.615 28.211 8.530 169 HG3 MET 26 HG3 MET 26 2.336 27.272 7.224 170 HE1 MET 26 HE1 MET 26 2.099 28.136 4.604 171 HE2 MET 26 HE2 MET 26 0.924 26.889 5.021 172 HE3 MET 26 HE3 MET 26 0.416 28.308 4.104 173 H GLU 27 H GLU 27 3.601 24.692 9.089 174 HA GLU 27 HA GLU 27 3.825 26.425 11.355 175 HB2 GLU 27 HB2 GLU 27 4.169 24.657 13.038 176 HB3 GLU 27 HB3 GLU 27 2.527 24.665 12.410 177 HG2 GLU 27 HG2 GLU 27 3.346 22.849 10.797 178 HG3 GLU 27 HG3 GLU 27 4.727 22.706 11.883 179 H PHE 28 H PHE 28 5.931 25.634 12.657 180 HA PHE 28 HA PHE 28 8.100 26.048 11.002 181 HB2 PHE 28 HB2 PHE 28 8.018 24.621 13.667 182 HB3 PHE 28 HB3 PHE 28 9.489 25.187 12.883 183 HD1 PHE 28 HD1 PHE 28 6.751 26.042 15.010 184 HD2 PHE 28 HD2 PHE 28 9.722 27.671 12.434 185 HE1 PHE 28 HE1 PHE 28 6.462 28.242 16.073 186 HE2 PHE 28 HE2 PHE 28 9.438 29.874 13.493 187 HZ PHE 28 HZ PHE 28 7.807 30.161 15.316 188 H ILE 29 H ILE 29 7.091 22.931 12.412 189 HA ILE 29 HA ILE 29 8.421 21.594 10.147 190 HB ILE 29 HB ILE 29 8.173 20.435 12.921 191 HG12 ILE 29 HG12 ILE 29 10.812 20.829 12.665 192 HG13 ILE 29 HG13 ILE 29 10.244 22.184 11.696 193 HG21 ILE 29 HG21 ILE 29 9.906 19.583 10.609 194 HG22 ILE 29 HG22 ILE 29 9.673 18.741 12.140 195 HG23 ILE 29 HG23 ILE 29 8.341 18.867 10.992 196 HD11 ILE 29 HD11 ILE 29 8.694 22.478 13.871 197 HD12 ILE 29 HD12 ILE 29 10.128 21.751 14.597 198 HD13 ILE 29 HD13 ILE 29 10.269 23.244 13.670 199 HA PRO 30 HA PRO 30 4.104 20.320 9.702 200 HB2 PRO 30 HB2 PRO 30 4.391 19.505 7.128 201 HB3 PRO 30 HB3 PRO 30 4.165 21.199 7.580 202 HG2 PRO 30 HG2 PRO 30 6.690 19.740 6.907 203 HG3 PRO 30 HG3 PRO 30 6.165 21.357 6.404 204 HD2 PRO 30 HD2 PRO 30 7.940 20.960 8.410 205 HD3 PRO 30 HD3 PRO 30 6.800 22.321 8.399 206 H HIS 31 H HIS 31 3.508 18.434 10.550 207 HA HIS 31 HA HIS 31 5.039 16.019 9.839 208 HB2 HIS 31 HB2 HIS 31 3.408 16.531 12.336 209 HB3 HIS 31 HB3 HIS 31 4.332 15.073 11.984 210 HD1 HIS 31 HD1 HIS 31 4.596 17.813 14.070 211 HD2 HIS 31 HD2 HIS 31 7.230 16.108 11.347 212 HE1 HIS 31 HE1 HIS 31 6.884 18.583 14.775 213 H CYS 32 H CYS 32 3.683 13.970 10.054 214 HA CYS 32 HA CYS 32 1.128 14.430 8.676 215 HB2 CYS 32 HB2 CYS 32 3.030 12.088 8.683 216 HB3 CYS 32 HB3 CYS 32 1.402 11.981 8.023 217 H LYS 33 H LYS 33 0.450 14.909 11.023 218 HA LYS 33 HA LYS 33 -0.357 12.396 12.333 219 HB2 LYS 33 HB2 LYS 33 0.473 15.049 13.401 220 HB3 LYS 33 HB3 LYS 33 -0.755 14.160 14.292 221 HG2 LYS 33 HG2 LYS 33 1.094 13.364 15.333 222 HG3 LYS 33 HG3 LYS 33 0.995 12.193 14.016 223 HD2 LYS 33 HD2 LYS 33 3.197 12.790 13.849 224 HD3 LYS 33 HD3 LYS 33 2.477 13.989 12.771 225 HE2 LYS 33 HE2 LYS 33 4.069 15.053 14.255 226 HE3 LYS 33 HE3 LYS 33 2.435 15.602 14.626 227 HZ1 LYS 33 HZ1 LYS 33 2.365 14.297 16.552 228 HZ2 LYS 33 HZ2 LYS 33 3.902 15.003 16.574 229 HZ3 LYS 33 HZ3 LYS 33 3.721 13.387 16.108 230 H LYS 34 H LYS 34 -2.448 12.563 13.551 231 HA LYS 34 HA LYS 34 -4.547 13.206 11.826 232 HB2 LYS 34 HB2 LYS 34 -4.411 11.698 14.000 233 HB3 LYS 34 HB3 LYS 34 -5.026 13.154 14.772 234 HG2 LYS 34 HG2 LYS 34 -7.041 13.057 13.658 235 HG3 LYS 34 HG3 LYS 34 -6.384 12.086 12.339 236 HD2 LYS 34 HD2 LYS 34 -6.459 10.954 15.102 237 HD3 LYS 34 HD3 LYS 34 -7.939 10.996 14.141 238 HE2 LYS 34 HE2 LYS 34 -6.630 9.854 12.307 239 HE3 LYS 34 HE3 LYS 34 -5.343 9.616 13.488 240 HZ1 LYS 34 HZ1 LYS 34 -8.120 8.679 13.924 241 HZ2 LYS 34 HZ2 LYS 34 -6.737 8.261 14.802 242 HZ3 LYS 34 HZ3 LYS 34 -6.926 7.714 13.213 243 H TYR 35 H TYR 35 -6.302 14.758 12.182 244 HA TYR 35 HA TYR 35 -5.458 17.385 12.181 245 HB2 TYR 35 HB2 TYR 35 -8.116 16.079 12.596 246 HB3 TYR 35 HB3 TYR 35 -7.972 17.814 12.852 247 HD1 TYR 35 HD1 TYR 35 -8.322 15.197 10.429 248 HD2 TYR 35 HD2 TYR 35 -7.091 19.238 10.937 249 HE1 TYR 35 HE1 TYR 35 -8.555 15.566 8.009 250 HE2 TYR 35 HE2 TYR 35 -7.321 19.618 8.518 251 HH TYR 35 HH TYR 35 -8.474 17.049 6.356 252 H LYS 36 H LYS 36 -5.795 19.123 13.687 253 HA LYS 36 HA LYS 36 -4.751 18.657 16.226 254 HB2 LYS 36 HB2 LYS 36 -6.163 20.959 14.943 255 HB3 LYS 36 HB3 LYS 36 -5.860 21.007 16.675 256 HG2 LYS 36 HG2 LYS 36 -3.420 20.442 16.012 257 HG3 LYS 36 HG3 LYS 36 -3.909 21.011 14.414 258 HD2 LYS 36 HD2 LYS 36 -4.539 22.691 16.795 259 HD3 LYS 36 HD3 LYS 36 -2.881 22.662 16.189 260 HE2 LYS 36 HE2 LYS 36 -3.745 23.262 13.944 261 HE3 LYS 36 HE3 LYS 36 -5.361 23.398 14.636 262 HZ1 LYS 36 HZ1 LYS 36 -3.030 25.143 15.005 263 HZ2 LYS 36 HZ2 LYS 36 -4.163 25.024 16.255 264 HZ3 LYS 36 HZ3 LYS 36 -4.646 25.555 14.723 265 HA PRO 37 HA PRO 37 -8.081 17.432 18.807 266 HB2 PRO 37 HB2 PRO 37 -7.577 18.804 21.095 267 HB3 PRO 37 HB3 PRO 37 -6.596 17.434 20.561 268 HG2 PRO 37 HG2 PRO 37 -6.066 20.367 20.281 269 HG3 PRO 37 HG3 PRO 37 -4.950 19.066 20.738 270 HD2 PRO 37 HD2 PRO 37 -5.029 20.109 18.240 271 HD3 PRO 37 HD3 PRO 37 -4.623 18.409 18.553 272 H TYR 38 H TYR 38 -9.960 18.188 20.051 273 HA TYR 38 HA TYR 38 -11.480 20.068 18.721 274 HB2 TYR 38 HB2 TYR 38 -13.055 19.915 20.530 275 HB3 TYR 38 HB3 TYR 38 -12.333 18.326 20.307 276 HD1 TYR 38 HD1 TYR 38 -12.849 21.079 22.584 277 HD2 TYR 38 HD2 TYR 38 -10.581 17.541 21.917 278 HE1 TYR 38 HE1 TYR 38 -12.223 21.039 24.962 279 HE2 TYR 38 HE2 TYR 38 -9.950 17.491 24.293 280 HH TYR 38 HH TYR 38 -10.476 18.338 26.357 281 H VAL 39 H VAL 39 -12.239 22.169 19.323 282 HA VAL 39 HA VAL 39 -10.150 23.923 20.127 283 HB VAL 39 HB VAL 39 -13.090 24.520 19.769 284 HG11 VAL 39 HG11 VAL 39 -12.424 26.831 19.538 285 HG12 VAL 39 HG12 VAL 39 -11.855 26.207 21.087 286 HG13 VAL 39 HG13 VAL 39 -10.728 26.395 19.743 287 HG21 VAL 39 HG21 VAL 39 -12.412 23.747 17.689 288 HG22 VAL 39 HG22 VAL 39 -12.148 25.486 17.559 289 HG23 VAL 39 HG23 VAL 39 -10.785 24.408 17.862 290 HA PRO 40 HA PRO 40 -10.789 23.821 24.503 291 HB2 PRO 40 HB2 PRO 40 -9.315 26.016 25.121 292 HB3 PRO 40 HB3 PRO 40 -8.590 24.467 24.674 293 HG2 PRO 40 HG2 PRO 40 -9.039 26.904 22.994 294 HG3 PRO 40 HG3 PRO 40 -7.618 25.846 23.074 295 HD2 PRO 40 HD2 PRO 40 -9.456 25.667 21.095 296 HD3 PRO 40 HD3 PRO 40 -8.566 24.256 21.702 297 H VAL 41 H VAL 41 -11.691 25.146 26.216 298 HA VAL 41 HA VAL 41 -14.050 26.423 25.575 299 HB VAL 41 HB VAL 41 -12.391 26.998 28.032 300 HG11 VAL 41 HG11 VAL 41 -15.330 27.265 27.430 301 HG12 VAL 41 HG12 VAL 41 -14.654 27.330 29.059 302 HG13 VAL 41 HG13 VAL 41 -14.196 28.544 27.864 303 HG21 VAL 41 HG21 VAL 41 -14.245 25.157 28.792 304 HG22 VAL 41 HG22 VAL 41 -13.840 24.597 27.170 305 HG23 VAL 41 HG23 VAL 41 -12.571 24.785 28.380 306 H THR 42 H THR 42 -14.718 28.577 25.474 307 HA THR 42 HA THR 42 -13.168 30.344 24.030 308 HB THR 42 HB THR 42 -15.517 30.709 24.081 309 HG1 THR 42 HG1 THR 42 -14.481 32.661 23.868 310 HG21 THR 42 HG21 THR 42 -16.318 29.891 26.096 311 HG22 THR 42 HG22 THR 42 -16.506 31.632 26.312 312 HG23 THR 42 HG23 THR 42 -15.140 30.793 27.048 313 H THR 43 H THR 43 -11.850 32.060 24.493 314 HA THR 43 HA THR 43 -10.327 31.975 26.854 315 HB THR 43 HB THR 43 -10.419 34.510 25.291 316 HG1 THR 43 HG1 THR 43 -9.064 33.361 23.690 317 HG21 THR 43 HG21 THR 43 -7.839 33.388 25.460 318 HG22 THR 43 HG22 THR 43 -8.607 33.120 27.025 319 HG23 THR 43 HG23 THR 43 -8.485 34.753 26.370 320 H SER 44 H SER 44 -9.985 33.905 28.300 321 HA SER 44 HA SER 44 -12.566 34.711 29.370 322 HB2 SER 44 HB2 SER 44 -10.784 33.806 30.862 323 HB3 SER 44 HB3 SER 44 -9.797 35.218 30.484 324 HG SER 44 HG SER 44 -12.302 35.160 31.811 325 H PHE 45 H PHE 45 -12.776 36.980 30.211 326 HA PHE 45 HA PHE 45 -12.473 38.809 28.068 327 HB2 PHE 45 HB2 PHE 45 -13.309 39.177 30.946 328 HB3 PHE 45 HB3 PHE 45 -13.294 40.494 29.777 329 HD1 PHE 45 HD1 PHE 45 -15.319 38.153 31.309 330 HD2 PHE 45 HD2 PHE 45 -14.529 39.831 27.478 331 HE1 PHE 45 HE1 PHE 45 -17.575 37.511 30.566 332 HE2 PHE 45 HE2 PHE 45 -16.784 39.193 26.729 333 HZ PHE 45 HZ PHE 45 -18.310 38.030 28.274 334 H ASN 46 H ASN 46 -11.051 40.454 27.734 335 HA ASN 46 HA ASN 46 -9.279 41.505 29.646 336 HB2 ASN 46 HB2 ASN 46 -8.409 39.068 29.160 337 HB3 ASN 46 HB3 ASN 46 -7.752 39.812 27.705 338 HD21 ASN 46 HD21 ASN 46 -7.673 39.773 31.191 339 HD22 ASN 46 HD22 ASN 46 -6.158 40.587 31.361 340 H CYS 47 H CYS 47 -7.771 43.047 28.730 341 HA CYS 47 HA CYS 47 -8.861 44.509 26.597 342 HB2 CYS 47 HB2 CYS 47 -6.733 45.824 26.713 343 HB3 CYS 47 HB3 CYS 47 -7.545 45.635 28.264 344 H ALA 48 H ALA 48 -7.821 45.061 24.553 345 HA ALA 48 HA ALA 48 -7.021 42.705 23.133 346 HB1 ALA 48 HB1 ALA 48 -8.395 44.165 21.918 347 HB2 ALA 48 HB2 ALA 48 -7.415 45.572 22.334 348 HB3 ALA 48 HB3 ALA 48 -6.792 44.365 21.210 349 H LYS 49 H LYS 49 -5.024 41.926 23.248 350 HA LYS 49 HA LYS 49 -2.774 43.560 23.957 351 HB2 LYS 49 HB2 LYS 49 -2.970 40.674 23.083 352 HB3 LYS 49 HB3 LYS 49 -1.479 41.446 23.607 353 HG2 LYS 49 HG2 LYS 49 -2.607 41.942 25.787 354 HG3 LYS 49 HG3 LYS 49 -3.951 40.935 25.242 355 HD2 LYS 49 HD2 LYS 49 -2.628 39.486 26.516 356 HD3 LYS 49 HD3 LYS 49 -2.181 39.122 24.848 357 HE2 LYS 49 HE2 LYS 49 -0.161 39.247 26.080 358 HE3 LYS 49 HE3 LYS 49 -0.263 40.729 25.130 359 HZ1 LYS 49 HZ1 LYS 49 -0.215 40.387 27.976 360 HZ2 LYS 49 HZ2 LYS 49 -1.485 41.380 27.466 361 HZ3 LYS 49 HZ3 LYS 49 0.109 41.765 27.049 362 H GLU 50 H GLU 50 -0.720 43.413 22.629 363 HA GLU 50 HA GLU 50 -1.008 44.719 20.219 364 HB2 GLU 50 HB2 GLU 50 1.091 44.555 21.567 365 HB3 GLU 50 HB3 GLU 50 1.304 42.920 20.958 366 HG2 GLU 50 HG2 GLU 50 1.026 45.237 19.086 367 HG3 GLU 50 HG3 GLU 50 2.576 44.837 19.824 368 H GLY 51 H GLY 51 -1.527 44.139 18.207 369 HA2 GLY 51 HA2 GLY 51 -1.355 42.678 16.317 370 HA3 GLY 51 HA3 GLY 51 -1.225 41.320 17.425 371 H GLU 52 H GLU 52 -3.459 42.309 19.083 372 HA GLU 52 HA GLU 52 -5.551 40.909 17.827 373 HB2 GLU 52 HB2 GLU 52 -5.722 42.889 20.105 374 HB3 GLU 52 HB3 GLU 52 -6.952 41.711 19.670 375 HG2 GLU 52 HG2 GLU 52 -4.164 41.036 20.579 376 HG3 GLU 52 HG3 GLU 52 -5.596 41.030 21.606 377 H VAL 53 H VAL 53 -7.609 41.692 17.108 378 HA VAL 53 HA VAL 53 -7.360 44.151 15.574 379 HB VAL 53 HB VAL 53 -9.661 42.196 15.588 380 HG11 VAL 53 HG11 VAL 53 -10.008 43.169 13.291 381 HG12 VAL 53 HG12 VAL 53 -10.333 44.264 14.635 382 HG13 VAL 53 HG13 VAL 53 -8.831 44.408 13.723 383 HG21 VAL 53 HG21 VAL 53 -6.988 41.943 14.507 384 HG22 VAL 53 HG22 VAL 53 -8.276 40.743 14.619 385 HG23 VAL 53 HG23 VAL 53 -8.215 41.846 13.244 386 H CYS 54 H CYS 54 -8.851 45.861 15.655 387 HA CYS 54 HA CYS 54 -10.403 46.006 18.156 388 HB2 CYS 54 HB2 CYS 54 -9.183 48.329 16.656 389 HB3 CYS 54 HB3 CYS 54 -9.966 48.378 18.233 390 H GLY 55 H GLY 55 -12.407 47.119 18.109 391 HA2 GLY 55 HA2 GLY 55 -13.797 48.510 16.405 392 HA3 GLY 55 HA3 GLY 55 -13.672 47.033 15.460 393 H TRP 56 H TRP 56 -13.854 45.274 17.768 394 HA TRP 56 HA TRP 56 -16.751 45.413 18.115 395 HB2 TRP 56 HB2 TRP 56 -14.751 43.205 18.624 396 HB3 TRP 56 HB3 TRP 56 -16.465 43.075 19.008 397 HD1 TRP 56 HD1 TRP 56 -18.182 43.174 16.853 398 HE1 TRP 56 HE1 TRP 56 -17.830 42.348 14.441 399 HE3 TRP 56 HE3 TRP 56 -13.077 42.884 16.830 400 HZ2 TRP 56 HZ2 TRP 56 -15.675 41.663 12.752 401 HZ3 TRP 56 HZ3 TRP 56 -11.948 42.134 14.777 402 HH2 TRP 56 HH2 TRP 56 -13.222 41.536 12.781 403 H GLY 57 H GLY 57 -15.680 47.369 19.571 404 HA2 GLY 57 HA2 GLY 57 -15.675 48.243 21.695 405 HA3 GLY 57 HA3 GLY 57 -16.514 46.784 22.201 406 H SER 58 H SER 58 -13.344 46.793 20.702 407 HA SER 58 HA SER 58 -12.234 45.774 23.231 408 HB2 SER 58 HB2 SER 58 -10.380 45.034 21.417 409 HB3 SER 58 HB3 SER 58 -11.775 44.036 21.827 410 HG SER 58 HG SER 58 -12.709 44.537 19.960 411 H LYS 59 H LYS 59 -10.928 47.095 24.288 412 HA LYS 59 HA LYS 59 -9.563 49.233 22.799 413 HB2 LYS 59 HB2 LYS 59 -9.947 49.123 25.786 414 HB3 LYS 59 HB3 LYS 59 -9.539 50.518 24.795 415 HG2 LYS 59 HG2 LYS 59 -12.175 49.061 24.789 416 HG3 LYS 59 HG3 LYS 59 -11.845 50.615 25.559 417 HD2 LYS 59 HD2 LYS 59 -10.973 50.924 22.932 418 HD3 LYS 59 HD3 LYS 59 -12.482 50.017 22.800 419 HE2 LYS 59 HE2 LYS 59 -13.189 51.883 24.618 420 HE3 LYS 59 HE3 LYS 59 -12.000 52.788 23.683 421 HZ1 LYS 59 HZ1 LYS 59 -13.230 52.383 21.694 422 HZ2 LYS 59 HZ2 LYS 59 -14.301 53.001 22.848 423 HZ3 LYS 59 HZ3 LYS 59 -14.304 51.347 22.490 424 H CYS 60 H CYS 60 -7.419 49.207 22.615 425 HA CYS 60 HA CYS 60 -5.841 47.045 23.352 426 HB2 CYS 60 HB2 CYS 60 -4.993 49.893 22.784 427 HB3 CYS 60 HB3 CYS 60 -3.904 48.511 22.835 428 H CYS 61 H CYS 61 -4.239 46.756 24.942 429 HA CYS 61 HA CYS 61 -4.961 47.638 27.531 430 HB2 CYS 61 HB2 CYS 61 -2.318 46.413 26.733 431 HB3 CYS 61 HB3 CYS 61 -3.084 46.369 28.318 432 H HIS 62 H HIS 62 -3.351 48.653 29.056 433 HA HIS 62 HA HIS 62 -2.805 51.263 28.340 434 HB2 HIS 62 HB2 HIS 62 -1.378 51.360 30.353 435 HB3 HIS 62 HB3 HIS 62 -2.905 50.542 30.667 436 HD1 HIS 62 HD1 HIS 62 0.672 50.149 31.052 437 HD2 HIS 62 HD2 HIS 62 -2.595 47.609 30.685 438 HE1 HIS 62 HE1 HIS 62 1.466 47.910 31.877 439 H GLY 63 H GLY 63 -1.259 52.255 27.207 440 HA2 GLY 63 HA2 GLY 63 0.981 52.621 26.516 441 HA3 GLY 63 HA3 GLY 63 1.331 50.931 26.845 442 H LEU 64 H LEU 64 -1.223 50.208 25.386 443 HA LEU 64 HA LEU 64 -0.052 50.318 22.696 444 HB2 LEU 64 HB2 LEU 64 -2.136 48.472 23.851 445 HB3 LEU 64 HB3 LEU 64 -1.529 48.409 22.198 446 HG LEU 64 HG LEU 64 0.373 48.122 24.487 447 HD11 LEU 64 HD11 LEU 64 -1.009 46.451 25.202 448 HD12 LEU 64 HD12 LEU 64 -0.061 45.571 24.004 449 HD13 LEU 64 HD13 LEU 64 -1.674 46.157 23.595 450 HD21 LEU 64 HD21 LEU 64 1.647 48.100 22.624 451 HD22 LEU 64 HD22 LEU 64 0.312 47.607 21.583 452 HD23 LEU 64 HD23 LEU 64 1.151 46.408 22.568 453 H ASP 65 H ASP 65 -1.536 50.511 20.860 454 HA ASP 65 HA ASP 65 -4.133 51.689 21.360 455 HB2 ASP 65 HB2 ASP 65 -2.281 53.519 21.459 456 HB3 ASP 65 HB3 ASP 65 -2.232 53.324 19.709 457 H CYS 66 H CYS 66 -5.332 52.087 19.340 458 HA CYS 66 HA CYS 66 -4.403 50.298 17.190 459 HB2 CYS 66 HB2 CYS 66 -6.832 50.295 18.694 460 HB3 CYS 66 HB3 CYS 66 -7.217 50.690 17.022 461 HA PRO 67 HA PRO 67 -4.431 53.872 14.590 462 HB2 PRO 67 HB2 PRO 67 -4.251 52.579 12.210 463 HB3 PRO 67 HB3 PRO 67 -2.882 52.754 13.314 464 HG2 PRO 67 HG2 PRO 67 -4.705 50.414 12.915 465 HG3 PRO 67 HG3 PRO 67 -2.943 50.439 13.109 466 HD2 PRO 67 HD2 PRO 67 -4.623 49.815 15.139 467 HD3 PRO 67 HD3 PRO 67 -3.071 50.637 15.401 468 H LEU 68 H LEU 68 -5.659 54.751 12.738 469 HA LEU 68 HA LEU 68 -8.458 53.916 12.902 470 HB2 LEU 68 HB2 LEU 68 -7.052 56.440 12.175 471 HB3 LEU 68 HB3 LEU 68 -8.662 56.147 11.520 472 HG LEU 68 HG LEU 68 -8.788 57.535 13.501 473 HD11 LEU 68 HD11 LEU 68 -10.125 55.042 13.154 474 HD12 LEU 68 HD12 LEU 68 -10.733 56.539 13.859 475 HD13 LEU 68 HD13 LEU 68 -9.922 55.350 14.878 476 HD21 LEU 68 HD21 LEU 68 -6.651 56.511 14.481 477 HD22 LEU 68 HD22 LEU 68 -7.711 55.263 15.138 478 HD23 LEU 68 HD23 LEU 68 -7.944 56.951 15.597 479 H ALA 69 H ALA 69 -8.620 52.204 11.505 480 HA ALA 69 HA ALA 69 -8.727 52.852 8.706 481 HB1 ALA 69 HB1 ALA 69 -6.713 50.824 9.664 482 HB2 ALA 69 HB2 ALA 69 -7.183 51.069 7.982 483 HB3 ALA 69 HB3 ALA 69 -6.367 52.358 8.866 484 H PHE 70 H PHE 70 -9.002 50.494 7.519 485 HA PHE 70 HA PHE 70 -11.531 49.612 8.200 486 HB2 PHE 70 HB2 PHE 70 -9.385 48.029 6.770 487 HB3 PHE 70 HB3 PHE 70 -11.115 47.704 6.717 488 HD1 PHE 70 HD1 PHE 70 -8.493 49.105 4.962 489 HD2 PHE 70 HD2 PHE 70 -12.539 49.885 6.029 490 HE1 PHE 70 HE1 PHE 70 -8.710 50.606 3.026 491 HE2 PHE 70 HE2 PHE 70 -12.763 51.388 4.093 492 HZ PHE 70 HZ PHE 70 -10.846 51.751 2.589 493 H ILE 71 H ILE 71 -8.572 47.663 8.623 494 HA ILE 71 HA ILE 71 -9.762 46.565 11.084 495 HB ILE 71 HB ILE 71 -8.042 44.982 9.178 496 HG12 ILE 71 HG12 ILE 71 -10.490 43.821 9.019 497 HG13 ILE 71 HG13 ILE 71 -10.951 45.511 9.194 498 HG21 ILE 71 HG21 ILE 71 -9.705 44.212 11.571 499 HG22 ILE 71 HG22 ILE 71 -8.925 43.065 10.482 500 HG23 ILE 71 HG23 ILE 71 -7.947 44.175 11.441 501 HD11 ILE 71 HD11 ILE 71 -9.137 45.821 7.300 502 HD12 ILE 71 HD12 ILE 71 -9.560 44.140 6.970 503 HD13 ILE 71 HD13 ILE 71 -10.807 45.387 6.936 504 HA PRO 72 HA PRO 72 -5.670 48.396 12.137 505 HB2 PRO 72 HB2 PRO 72 -6.465 49.295 14.573 506 HB3 PRO 72 HB3 PRO 72 -6.713 50.212 13.083 507 HG2 PRO 72 HG2 PRO 72 -8.641 48.486 14.589 508 HG3 PRO 72 HG3 PRO 72 -8.906 50.074 13.844 509 HD2 PRO 72 HD2 PRO 72 -9.685 47.763 12.666 510 HD3 PRO 72 HD3 PRO 72 -9.162 49.181 11.734 511 H TYR 73 H TYR 73 -4.305 47.979 14.087 512 HA TYR 73 HA TYR 73 -5.046 45.596 15.604 513 HB2 TYR 73 HB2 TYR 73 -2.426 45.759 14.108 514 HB3 TYR 73 HB3 TYR 73 -3.030 44.401 15.052 515 HD1 TYR 73 HD1 TYR 73 -5.303 43.386 14.231 516 HD2 TYR 73 HD2 TYR 73 -2.734 45.762 11.811 517 HE1 TYR 73 HE1 TYR 73 -6.336 42.435 12.211 518 HE2 TYR 73 HE2 TYR 73 -3.760 44.819 9.785 519 HH TYR 73 HH TYR 73 -5.392 42.134 9.629 520 H CYS 74 H CYS 74 -4.394 45.702 17.662 521 HA CYS 74 HA CYS 74 -3.392 47.991 18.823 522 HB2 CYS 74 HB2 CYS 74 -3.383 45.123 19.740 523 HB3 CYS 74 HB3 CYS 74 -2.730 46.411 20.747 524 H GLU 75 H GLU 75 -1.413 48.804 19.293 525 HA GLU 75 HA GLU 75 0.980 47.222 19.030 526 HB2 GLU 75 HB2 GLU 75 2.003 48.506 17.257 527 HB3 GLU 75 HB3 GLU 75 0.484 47.834 16.680 528 HG2 GLU 75 HG2 GLU 75 -0.609 49.975 16.978 529 HG3 GLU 75 HG3 GLU 75 0.874 50.661 17.638 530 H LYS 76 H LYS 76 2.785 48.187 19.970 531 HA LYS 76 HA LYS 76 2.387 49.882 22.108 532 HB2 LYS 76 HB2 LYS 76 4.915 49.448 20.509 533 HB3 LYS 76 HB3 LYS 76 4.854 50.222 22.087 534 HG2 LYS 76 HG2 LYS 76 3.856 47.429 21.611 535 HG3 LYS 76 HG3 LYS 76 5.527 47.791 22.050 536 HD2 LYS 76 HD2 LYS 76 4.902 48.650 24.147 537 HD3 LYS 76 HD3 LYS 76 3.206 48.792 23.676 538 HE2 LYS 76 HE2 LYS 76 3.385 46.913 25.126 539 HE3 LYS 76 HE3 LYS 76 3.144 46.294 23.493 540 HZ1 LYS 76 HZ1 LYS 76 5.872 46.507 23.821 541 HZ2 LYS 76 HZ2 LYS 76 4.958 45.084 23.802 542 HZ3 LYS 76 HZ3 LYS 76 5.306 45.845 25.272 543 H TYR 77 H TYR 77 1.827 51.945 22.210 544 HA TYR 77 HA TYR 77 1.554 53.675 20.078 545 HB2 TYR 77 HB2 TYR 77 0.557 53.963 22.360 546 HB3 TYR 77 HB3 TYR 77 2.130 54.513 22.926 547 HD1 TYR 77 HD1 TYR 77 2.276 56.792 23.190 548 HD2 TYR 77 HD2 TYR 77 -0.088 55.259 20.002 549 HE1 TYR 77 HE1 TYR 77 1.722 59.088 22.504 550 HE2 TYR 77 HE2 TYR 77 -0.647 57.551 19.306 551 HH TYR 77 HH TYR 77 -0.046 60.259 21.249 552 H ARG 78 H ARG 78 2.993 54.579 18.781 553 HA ARG 78 HA ARG 78 5.787 54.591 19.384 554 HB2 ARG 78 HB2 ARG 78 4.325 54.618 17.072 555 HB3 ARG 78 HB3 ARG 78 4.883 56.283 17.157 556 HG2 ARG 78 HG2 ARG 78 7.208 55.226 17.579 557 HG3 ARG 78 HG3 ARG 78 6.474 53.769 16.906 558 HD2 ARG 78 HD2 ARG 78 5.731 55.821 15.172 559 HD3 ARG 78 HD3 ARG 78 7.418 56.148 15.568 560 HE ARG 78 HE ARG 78 8.021 54.304 14.355 561 HH11 ARG 78 HH11 ARG 78 4.607 54.163 15.021 562 HH12 ARG 78 HH12 ARG 78 4.331 52.794 13.995 563 HH21 ARG 78 HH21 ARG 78 7.671 52.502 13.002 564 HH22 ARG 78 HH22 ARG 78 6.075 51.850 12.848 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 2.651 -0.908 -1.310 3 HA3 GLY 1 HA3 GLY 1 1.371 0.027 -2.069 4 H ASP 2 H ASP 2 1.467 2.410 -1.729 5 HA ASP 2 HA ASP 2 4.194 3.402 -1.307 6 HB2 ASP 2 HB2 ASP 2 3.997 3.118 -3.711 7 HB3 ASP 2 HB3 ASP 2 2.474 4.002 -3.722 8 H CYS 3 H CYS 3 4.087 4.888 0.228 9 HA CYS 3 HA CYS 3 2.435 7.175 0.047 10 HB2 CYS 3 HB2 CYS 3 1.028 6.812 2.032 11 HB3 CYS 3 HB3 CYS 3 0.679 5.634 0.771 12 H ALA 4 H ALA 4 2.582 8.512 2.116 13 HA ALA 4 HA ALA 4 5.339 8.388 3.038 14 HB1 ALA 4 HB1 ALA 4 3.202 10.488 3.364 15 HB2 ALA 4 HB2 ALA 4 4.837 10.623 4.013 16 HB3 ALA 4 HB3 ALA 4 4.585 10.529 2.270 17 H LYS 5 H LYS 5 5.945 7.676 4.975 18 HA LYS 5 HA LYS 5 4.121 6.459 6.754 19 HB2 LYS 5 HB2 LYS 5 7.040 7.153 6.918 20 HB3 LYS 5 HB3 LYS 5 6.196 6.485 8.309 21 HG2 LYS 5 HG2 LYS 5 5.689 4.476 7.132 22 HG3 LYS 5 HG3 LYS 5 6.271 5.156 5.611 23 HD2 LYS 5 HD2 LYS 5 8.005 3.756 6.371 24 HD3 LYS 5 HD3 LYS 5 8.528 5.396 6.764 25 HE2 LYS 5 HE2 LYS 5 7.956 5.118 9.053 26 HE3 LYS 5 HE3 LYS 5 7.103 3.611 8.724 27 HZ1 LYS 5 HZ1 LYS 5 9.299 3.253 9.713 28 HZ2 LYS 5 HZ2 LYS 5 10.026 4.014 8.389 29 HZ3 LYS 5 HZ3 LYS 5 9.185 2.562 8.173 30 H GLU 6 H GLU 6 4.185 7.009 9.179 31 HA GLU 6 HA GLU 6 2.965 9.517 9.548 32 HB2 GLU 6 HB2 GLU 6 2.429 7.675 11.010 33 HB3 GLU 6 HB3 GLU 6 4.099 7.557 11.547 34 HG2 GLU 6 HG2 GLU 6 3.948 9.651 12.691 35 HG3 GLU 6 HG3 GLU 6 2.348 9.956 12.017 36 H GLY 7 H GLY 7 3.834 11.468 9.732 37 HA2 GLY 7 HA2 GLY 7 5.274 13.068 10.701 38 HA3 GLY 7 HA3 GLY 7 6.407 11.781 11.087 39 H GLU 8 H GLU 8 6.229 10.686 8.336 40 HA GLU 8 HA GLU 8 8.431 12.018 7.221 41 HB2 GLU 8 HB2 GLU 8 6.469 10.011 6.157 42 HB3 GLU 8 HB3 GLU 8 7.678 10.719 5.097 43 HG2 GLU 8 HG2 GLU 8 8.224 9.173 7.621 44 HG3 GLU 8 HG3 GLU 8 8.418 8.580 5.972 45 H VAL 9 H VAL 9 8.526 13.084 5.099 46 HA VAL 9 HA VAL 9 6.631 15.230 4.968 47 HB VAL 9 HB VAL 9 8.798 14.589 2.968 48 HG11 VAL 9 HG11 VAL 9 7.176 17.033 3.603 49 HG12 VAL 9 HG12 VAL 9 8.730 17.143 2.774 50 HG13 VAL 9 HG13 VAL 9 7.405 16.230 2.050 51 HG21 VAL 9 HG21 VAL 9 10.236 16.094 4.264 52 HG22 VAL 9 HG22 VAL 9 8.980 16.231 5.494 53 HG23 VAL 9 HG23 VAL 9 9.763 14.678 5.203 54 H CYS 10 H CYS 10 5.277 15.773 3.219 55 HA CYS 10 HA CYS 10 4.534 13.485 1.515 56 HB2 CYS 10 HB2 CYS 10 2.248 14.206 1.596 57 HB3 CYS 10 HB3 CYS 10 2.844 14.142 3.251 58 H SER 11 H SER 11 4.172 13.828 -0.645 59 HA SER 11 HA SER 11 4.477 16.558 -1.674 60 HB2 SER 11 HB2 SER 11 6.061 15.812 -3.379 61 HB3 SER 11 HB3 SER 11 6.697 15.470 -1.771 62 HG SER 11 HG SER 11 6.971 13.568 -2.696 63 H TRP 12 H TRP 12 4.327 16.211 -4.303 64 HA TRP 12 HA TRP 12 1.617 15.611 -4.760 65 HB2 TRP 12 HB2 TRP 12 2.184 15.885 -7.164 66 HB3 TRP 12 HB3 TRP 12 2.793 17.199 -6.163 67 HD1 TRP 12 HD1 TRP 12 5.423 17.471 -5.956 68 HE1 TRP 12 HE1 TRP 12 7.389 16.469 -7.282 69 HE3 TRP 12 HE3 TRP 12 2.934 13.728 -8.391 70 HZ2 TRP 12 HZ2 TRP 12 7.826 14.369 -9.117 71 HZ3 TRP 12 HZ3 TRP 12 4.199 12.267 -9.915 72 HH2 TRP 12 HH2 TRP 12 6.594 12.583 -10.269 73 H GLY 13 H GLY 13 4.569 13.749 -5.268 74 HA2 GLY 13 HA2 GLY 13 3.102 11.561 -6.501 75 HA3 GLY 13 HA3 GLY 13 4.835 11.626 -6.213 76 H LYS 14 H LYS 14 4.293 12.439 -3.365 77 HA LYS 14 HA LYS 14 3.789 9.723 -2.367 78 HB2 LYS 14 HB2 LYS 14 5.685 11.806 -1.685 79 HB3 LYS 14 HB3 LYS 14 4.785 11.282 -0.268 80 HG2 LYS 14 HG2 LYS 14 5.567 8.972 -1.721 81 HG3 LYS 14 HG3 LYS 14 6.976 10.020 -1.536 82 HD2 LYS 14 HD2 LYS 14 5.164 9.293 0.756 83 HD3 LYS 14 HD3 LYS 14 6.584 8.341 0.316 84 HE2 LYS 14 HE2 LYS 14 6.909 11.273 0.694 85 HE3 LYS 14 HE3 LYS 14 6.702 10.266 2.126 86 HZ1 LYS 14 HZ1 LYS 14 8.784 9.569 1.964 87 HZ2 LYS 14 HZ2 LYS 14 9.035 10.703 0.734 88 HZ3 LYS 14 HZ3 LYS 14 8.590 9.118 0.345 89 H LYS 15 H LYS 15 1.740 9.445 -1.767 90 HA LYS 15 HA LYS 15 0.358 11.646 -0.390 91 HB2 LYS 15 HB2 LYS 15 -0.800 9.208 -1.753 92 HB3 LYS 15 HB3 LYS 15 -1.729 10.491 -0.989 93 HG2 LYS 15 HG2 LYS 15 -0.415 12.019 -2.661 94 HG3 LYS 15 HG3 LYS 15 -0.222 10.509 -3.555 95 HD2 LYS 15 HD2 LYS 15 -2.637 10.202 -3.589 96 HD3 LYS 15 HD3 LYS 15 -2.853 11.676 -2.643 97 HE2 LYS 15 HE2 LYS 15 -3.232 12.434 -4.788 98 HE3 LYS 15 HE3 LYS 15 -1.517 12.788 -4.582 99 HZ1 LYS 15 HZ1 LYS 15 -0.926 10.919 -5.862 100 HZ2 LYS 15 HZ2 LYS 15 -2.157 11.691 -6.728 101 HZ3 LYS 15 HZ3 LYS 15 -2.497 10.292 -5.840 102 H CYS 16 H CYS 16 -0.046 11.471 1.713 103 HA CYS 16 HA CYS 16 0.913 9.457 3.338 104 HB2 CYS 16 HB2 CYS 16 -0.180 11.865 3.813 105 HB3 CYS 16 HB3 CYS 16 -1.545 10.846 4.260 106 H CYS 17 H CYS 17 0.207 7.521 4.026 107 HA CYS 17 HA CYS 17 -1.776 6.131 2.623 108 HB2 CYS 17 HB2 CYS 17 -0.008 5.612 4.902 109 HB3 CYS 17 HB3 CYS 17 -1.531 4.732 4.982 110 H ASP 18 H ASP 18 -1.888 7.896 5.659 111 HA ASP 18 HA ASP 18 -4.793 7.406 5.769 112 HB2 ASP 18 HB2 ASP 18 -3.210 6.545 7.675 113 HB3 ASP 18 HB3 ASP 18 -3.229 8.230 8.188 114 H LEU 19 H LEU 19 -4.994 9.241 4.315 115 HA LEU 19 HA LEU 19 -4.117 11.837 5.029 116 HB2 LEU 19 HB2 LEU 19 -6.418 11.058 3.245 117 HB3 LEU 19 HB3 LEU 19 -5.613 12.626 3.288 118 HG LEU 19 HG LEU 19 -4.286 10.049 2.450 119 HD11 LEU 19 HD11 LEU 19 -4.429 11.034 0.165 120 HD12 LEU 19 HD12 LEU 19 -5.530 12.250 0.813 121 HD13 LEU 19 HD13 LEU 19 -5.982 10.546 0.844 122 HD21 LEU 19 HD21 LEU 19 -3.033 12.195 3.382 123 HD22 LEU 19 HD22 LEU 19 -3.282 12.746 1.725 124 HD23 LEU 19 HD23 LEU 19 -2.399 11.250 2.034 125 H ASP 20 H ASP 20 -7.044 10.011 5.678 126 HA ASP 20 HA ASP 20 -8.673 12.080 6.613 127 HB2 ASP 20 HB2 ASP 20 -8.555 9.135 7.222 128 HB3 ASP 20 HB3 ASP 20 -9.724 10.185 8.018 129 H ASN 21 H ASN 21 -6.145 10.232 8.207 130 HA ASN 21 HA ASN 21 -6.675 11.528 10.760 131 HB2 ASN 21 HB2 ASN 21 -4.770 9.367 9.877 132 HB3 ASN 21 HB3 ASN 21 -4.643 10.120 11.464 133 HD21 ASN 21 HD21 ASN 21 -7.026 8.586 9.337 134 HD22 ASN 21 HD22 ASN 21 -7.871 7.758 10.597 135 H PHE 22 H PHE 22 -3.867 11.147 8.591 136 HA PHE 22 HA PHE 22 -2.643 13.510 9.797 137 HB2 PHE 22 HB2 PHE 22 -1.448 11.749 7.658 138 HB3 PHE 22 HB3 PHE 22 -0.609 12.837 8.758 139 HD1 PHE 22 HD1 PHE 22 -0.963 9.557 8.079 140 HD2 PHE 22 HD2 PHE 22 -1.434 12.226 11.362 141 HE1 PHE 22 HE1 PHE 22 -0.608 7.691 9.643 142 HE2 PHE 22 HE2 PHE 22 -1.079 10.364 12.930 143 HZ PHE 22 HZ PHE 22 -0.664 8.093 12.072 144 H TYR 23 H TYR 23 -2.290 15.401 8.736 145 HA TYR 23 HA TYR 23 -3.157 15.581 5.932 146 HB2 TYR 23 HB2 TYR 23 -4.330 17.650 6.372 147 HB3 TYR 23 HB3 TYR 23 -4.954 16.402 7.445 148 HD1 TYR 23 HD1 TYR 23 -3.923 19.723 7.291 149 HD2 TYR 23 HD2 TYR 23 -3.661 16.291 9.792 150 HE1 TYR 23 HE1 TYR 23 -3.481 21.175 9.226 151 HE2 TYR 23 HE2 TYR 23 -3.220 17.734 11.735 152 HH TYR 23 HH TYR 23 -2.638 21.153 11.389 153 H CYS 24 H CYS 24 -2.321 17.474 4.797 154 HA CYS 24 HA CYS 24 0.317 18.256 5.842 155 HB2 CYS 24 HB2 CYS 24 -0.674 18.136 2.986 156 HB3 CYS 24 HB3 CYS 24 0.931 18.665 3.478 157 HA PRO 25 HA PRO 25 -2.044 22.170 6.078 158 HB2 PRO 25 HB2 PRO 25 -0.586 23.160 8.142 159 HB3 PRO 25 HB3 PRO 25 -1.947 22.056 8.371 160 HG2 PRO 25 HG2 PRO 25 0.988 21.466 8.348 161 HG3 PRO 25 HG3 PRO 25 -0.267 20.857 9.442 162 HD2 PRO 25 HD2 PRO 25 0.690 19.402 7.369 163 HD3 PRO 25 HD3 PRO 25 -0.988 19.269 7.934 164 H MET 26 H MET 26 -1.307 24.413 5.870 165 HA MET 26 HA MET 26 0.758 24.660 3.936 166 HB2 MET 26 HB2 MET 26 -0.595 26.871 5.489 167 HB3 MET 26 HB3 MET 26 0.258 27.028 3.959 168 HG2 MET 26 HG2 MET 26 -2.302 25.517 4.423 169 HG3 MET 26 HG3 MET 26 -2.136 27.077 3.621 170 HE1 MET 26 HE1 MET 26 0.549 26.234 1.247 171 HE2 MET 26 HE2 MET 26 -0.908 26.648 0.344 172 HE3 MET 26 HE3 MET 26 -0.544 27.477 1.858 173 H GLU 27 H GLU 27 2.821 24.352 4.512 174 HA GLU 27 HA GLU 27 4.078 26.198 6.301 175 HB2 GLU 27 HB2 GLU 27 4.969 24.558 7.881 176 HB3 GLU 27 HB3 GLU 27 3.213 24.600 7.941 177 HG2 GLU 27 HG2 GLU 27 3.281 22.615 6.345 178 HG3 GLU 27 HG3 GLU 27 4.990 22.499 6.758 179 H PHE 28 H PHE 28 6.459 25.778 6.454 180 HA PHE 28 HA PHE 28 7.612 25.538 3.959 181 HB2 PHE 28 HB2 PHE 28 8.778 25.163 6.714 182 HB3 PHE 28 HB3 PHE 28 9.769 25.106 5.260 183 HD1 PHE 28 HD1 PHE 28 8.631 27.161 7.818 184 HD2 PHE 28 HD2 PHE 28 9.363 27.173 3.625 185 HE1 PHE 28 HE1 PHE 28 8.826 29.614 7.862 186 HE2 PHE 28 HE2 PHE 28 9.559 29.625 3.663 187 HZ PHE 28 HZ PHE 28 9.292 30.849 5.783 188 H ILE 29 H ILE 29 7.669 23.082 6.545 189 HA ILE 29 HA ILE 29 7.967 21.032 4.448 190 HB ILE 29 HB ILE 29 9.113 20.811 7.229 191 HG12 ILE 29 HG12 ILE 29 11.299 21.001 5.679 192 HG13 ILE 29 HG13 ILE 29 10.212 22.028 4.750 193 HG21 ILE 29 HG21 ILE 29 10.101 18.833 6.536 194 HG22 ILE 29 HG22 ILE 29 8.523 18.769 5.753 195 HG23 ILE 29 HG23 ILE 29 9.949 19.237 4.826 196 HD11 ILE 29 HD11 ILE 29 11.000 23.629 6.103 197 HD12 ILE 29 HD12 ILE 29 9.802 22.996 7.232 198 HD13 ILE 29 HD13 ILE 29 11.485 22.484 7.353 199 HA PRO 30 HA PRO 30 4.072 19.898 6.447 200 HB2 PRO 30 HB2 PRO 30 3.254 18.294 4.415 201 HB3 PRO 30 HB3 PRO 30 3.079 20.053 4.381 202 HG2 PRO 30 HG2 PRO 30 5.168 18.332 3.103 203 HG3 PRO 30 HG3 PRO 30 4.307 19.729 2.433 204 HD2 PRO 30 HD2 PRO 30 6.826 19.902 3.412 205 HD3 PRO 30 HD3 PRO 30 5.668 21.244 3.513 206 H HIS 31 H HIS 31 3.553 18.143 7.659 207 HA HIS 31 HA HIS 31 4.990 15.629 7.188 208 HB2 HIS 31 HB2 HIS 31 4.732 16.941 9.902 209 HB3 HIS 31 HB3 HIS 31 5.505 15.396 9.561 210 HD1 HIS 31 HD1 HIS 31 6.384 18.729 10.250 211 HD2 HIS 31 HD2 HIS 31 7.725 15.920 7.497 212 HE1 HIS 31 HE1 HIS 31 8.669 19.511 9.550 213 H CYS 32 H CYS 32 3.889 13.775 7.770 214 HA CYS 32 HA CYS 32 1.048 13.983 7.865 215 HB2 CYS 32 HB2 CYS 32 2.989 11.691 7.990 216 HB3 CYS 32 HB3 CYS 32 1.269 11.431 8.258 217 H LYS 33 H LYS 33 0.770 15.238 9.803 218 HA LYS 33 HA LYS 33 1.096 13.668 12.275 219 HB2 LYS 33 HB2 LYS 33 2.214 16.037 11.889 220 HB3 LYS 33 HB3 LYS 33 0.615 16.614 12.341 221 HG2 LYS 33 HG2 LYS 33 1.627 16.587 14.381 222 HG3 LYS 33 HG3 LYS 33 0.946 14.959 14.356 223 HD2 LYS 33 HD2 LYS 33 3.682 15.370 13.255 224 HD3 LYS 33 HD3 LYS 33 3.469 15.388 15.007 225 HE2 LYS 33 HE2 LYS 33 2.177 13.192 14.660 226 HE3 LYS 33 HE3 LYS 33 2.926 13.167 13.064 227 HZ1 LYS 33 HZ1 LYS 33 4.319 13.173 15.685 228 HZ2 LYS 33 HZ2 LYS 33 5.104 13.334 14.195 229 HZ3 LYS 33 HZ3 LYS 33 4.269 11.909 14.561 230 H LYS 34 H LYS 34 -0.617 13.545 13.730 231 HA LYS 34 HA LYS 34 -3.195 13.416 12.633 232 HB2 LYS 34 HB2 LYS 34 -2.210 13.440 15.482 233 HB3 LYS 34 HB3 LYS 34 -3.912 13.259 15.078 234 HG2 LYS 34 HG2 LYS 34 -3.117 11.304 13.594 235 HG3 LYS 34 HG3 LYS 34 -1.641 11.385 14.560 236 HD2 LYS 34 HD2 LYS 34 -2.802 9.915 15.846 237 HD3 LYS 34 HD3 LYS 34 -3.426 11.413 16.541 238 HE2 LYS 34 HE2 LYS 34 -5.281 11.244 14.795 239 HE3 LYS 34 HE3 LYS 34 -4.732 9.588 14.542 240 HZ1 LYS 34 HZ1 LYS 34 -5.259 9.023 16.754 241 HZ2 LYS 34 HZ2 LYS 34 -6.594 9.882 16.172 242 HZ3 LYS 34 HZ3 LYS 34 -5.490 10.637 17.207 243 H TYR 35 H TYR 35 -5.095 14.640 13.197 244 HA TYR 35 HA TYR 35 -4.895 17.357 12.761 245 HB2 TYR 35 HB2 TYR 35 -7.038 15.605 13.890 246 HB3 TYR 35 HB3 TYR 35 -7.247 17.352 13.960 247 HD1 TYR 35 HD1 TYR 35 -8.119 14.595 12.133 248 HD2 TYR 35 HD2 TYR 35 -6.491 18.484 11.560 249 HE1 TYR 35 HE1 TYR 35 -8.927 14.584 9.809 250 HE2 TYR 35 HE2 TYR 35 -7.295 18.484 9.235 251 HH TYR 35 HH TYR 35 -7.968 16.973 7.520 252 H LYS 36 H LYS 36 -5.329 19.181 14.146 253 HA LYS 36 HA LYS 36 -3.699 19.297 16.406 254 HB2 LYS 36 HB2 LYS 36 -5.856 21.064 15.311 255 HB3 LYS 36 HB3 LYS 36 -5.157 21.420 16.885 256 HG2 LYS 36 HG2 LYS 36 -3.519 21.085 14.386 257 HG3 LYS 36 HG3 LYS 36 -4.136 22.639 14.952 258 HD2 LYS 36 HD2 LYS 36 -2.547 20.886 16.786 259 HD3 LYS 36 HD3 LYS 36 -1.729 21.905 15.599 260 HE2 LYS 36 HE2 LYS 36 -2.623 23.882 16.546 261 HE3 LYS 36 HE3 LYS 36 -3.772 22.977 17.529 262 HZ1 LYS 36 HZ1 LYS 36 -2.284 22.868 19.144 263 HZ2 LYS 36 HZ2 LYS 36 -1.214 23.807 18.232 264 HZ3 LYS 36 HZ3 LYS 36 -1.159 22.120 18.126 265 HA PRO 37 HA PRO 37 -6.065 17.783 19.777 266 HB2 PRO 37 HB2 PRO 37 -5.406 19.512 21.763 267 HB3 PRO 37 HB3 PRO 37 -4.283 18.301 21.132 268 HG2 PRO 37 HG2 PRO 37 -4.478 21.219 20.493 269 HG3 PRO 37 HG3 PRO 37 -3.035 20.232 20.785 270 HD2 PRO 37 HD2 PRO 37 -3.861 20.904 18.295 271 HD3 PRO 37 HD3 PRO 37 -3.037 19.371 18.647 272 H TYR 38 H TYR 38 -7.761 18.314 21.356 273 HA TYR 38 HA TYR 38 -9.872 19.736 20.239 274 HB2 TYR 38 HB2 TYR 38 -9.350 18.862 23.079 275 HB3 TYR 38 HB3 TYR 38 -10.857 19.623 22.584 276 HD1 TYR 38 HD1 TYR 38 -8.961 16.565 22.696 277 HD2 TYR 38 HD2 TYR 38 -12.278 18.480 20.844 278 HE1 TYR 38 HE1 TYR 38 -9.828 14.373 21.997 279 HE2 TYR 38 HE2 TYR 38 -13.156 16.293 20.141 280 HH TYR 38 HH TYR 38 -11.379 13.531 20.089 281 H VAL 39 H VAL 39 -10.837 21.724 20.726 282 HA VAL 39 HA VAL 39 -8.993 23.838 21.297 283 HB VAL 39 HB VAL 39 -11.991 23.965 20.938 284 HG11 VAL 39 HG11 VAL 39 -11.675 26.323 20.515 285 HG12 VAL 39 HG12 VAL 39 -11.015 25.915 22.100 286 HG13 VAL 39 HG13 VAL 39 -9.932 26.159 20.729 287 HG21 VAL 39 HG21 VAL 39 -11.568 23.478 18.807 288 HG22 VAL 39 HG22 VAL 39 -10.728 25.024 18.697 289 HG23 VAL 39 HG23 VAL 39 -9.826 23.555 19.066 290 HA PRO 40 HA PRO 40 -9.595 23.993 25.676 291 HB2 PRO 40 HB2 PRO 40 -8.461 26.423 26.098 292 HB3 PRO 40 HB3 PRO 40 -7.516 24.967 25.763 293 HG2 PRO 40 HG2 PRO 40 -8.326 27.169 23.904 294 HG3 PRO 40 HG3 PRO 40 -6.764 26.343 24.045 295 HD2 PRO 40 HD2 PRO 40 -8.562 25.737 22.114 296 HD3 PRO 40 HD3 PRO 40 -7.471 24.525 22.817 297 H VAL 41 H VAL 41 -10.678 25.303 27.293 298 HA VAL 41 HA VAL 41 -13.201 26.171 26.578 299 HB VAL 41 HB VAL 41 -11.626 27.099 28.984 300 HG11 VAL 41 HG11 VAL 41 -14.025 27.134 29.943 301 HG12 VAL 41 HG12 VAL 41 -13.503 28.467 28.911 302 HG13 VAL 41 HG13 VAL 41 -14.529 27.191 28.254 303 HG21 VAL 41 HG21 VAL 41 -13.484 25.066 29.629 304 HG22 VAL 41 HG22 VAL 41 -12.536 24.499 28.254 305 HG23 VAL 41 HG23 VAL 41 -11.724 25.011 29.733 306 H THR 42 H THR 42 -14.151 28.138 26.170 307 HA THR 42 HA THR 42 -12.772 30.036 24.707 308 HB THR 42 HB THR 42 -14.709 31.500 24.961 309 HG1 THR 42 HG1 THR 42 -15.200 31.246 27.135 310 HG21 THR 42 HG21 THR 42 -16.480 29.907 24.244 311 HG22 THR 42 HG22 THR 42 -15.415 28.576 24.698 312 HG23 THR 42 HG23 THR 42 -14.949 29.675 23.400 313 H THR 43 H THR 43 -11.837 32.000 25.134 314 HA THR 43 HA THR 43 -10.710 32.362 27.727 315 HB THR 43 HB THR 43 -10.668 34.598 25.759 316 HG1 THR 43 HG1 THR 43 -9.769 33.438 24.236 317 HG21 THR 43 HG21 THR 43 -9.108 33.635 27.987 318 HG22 THR 43 HG22 THR 43 -9.041 35.194 27.165 319 HG23 THR 43 HG23 THR 43 -8.097 33.835 26.557 320 H SER 44 H SER 44 -10.844 34.417 28.943 321 HA SER 44 HA SER 44 -13.626 35.151 29.305 322 HB2 SER 44 HB2 SER 44 -12.953 36.116 31.376 323 HB3 SER 44 HB3 SER 44 -12.021 34.628 31.210 324 HG SER 44 HG SER 44 -10.866 36.639 31.848 325 H PHE 45 H PHE 45 -14.266 37.416 29.563 326 HA PHE 45 HA PHE 45 -13.435 38.974 27.333 327 HB2 PHE 45 HB2 PHE 45 -15.327 39.430 29.623 328 HB3 PHE 45 HB3 PHE 45 -14.935 40.737 28.510 329 HD1 PHE 45 HD1 PHE 45 -16.243 37.265 28.625 330 HD2 PHE 45 HD2 PHE 45 -16.066 40.945 26.492 331 HE1 PHE 45 HE1 PHE 45 -17.949 36.435 27.058 332 HE2 PHE 45 HE2 PHE 45 -17.772 40.121 24.923 333 HZ PHE 45 HZ PHE 45 -18.717 37.864 25.205 334 H ASN 46 H ASN 46 -12.031 40.626 27.192 335 HA ASN 46 HA ASN 46 -11.148 42.112 29.479 336 HB2 ASN 46 HB2 ASN 46 -9.809 40.013 29.676 337 HB3 ASN 46 HB3 ASN 46 -9.112 40.353 28.095 338 HD21 ASN 46 HD21 ASN 46 -9.734 42.141 31.101 339 HD22 ASN 46 HD22 ASN 46 -8.160 42.844 31.205 340 H CYS 47 H CYS 47 -10.098 44.009 28.922 341 HA CYS 47 HA CYS 47 -10.592 45.039 26.357 342 HB2 CYS 47 HB2 CYS 47 -9.160 46.953 27.103 343 HB3 CYS 47 HB3 CYS 47 -10.441 46.533 28.236 344 H ALA 48 H ALA 48 -9.067 45.797 24.767 345 HA ALA 48 HA ALA 48 -7.142 43.819 24.076 346 HB1 ALA 48 HB1 ALA 48 -8.346 44.966 22.341 347 HB2 ALA 48 HB2 ALA 48 -7.714 46.524 22.875 348 HB3 ALA 48 HB3 ALA 48 -6.627 45.324 22.175 349 H LYS 49 H LYS 49 -5.267 43.621 25.112 350 HA LYS 49 HA LYS 49 -3.990 45.843 26.414 351 HB2 LYS 49 HB2 LYS 49 -2.281 44.207 27.058 352 HB3 LYS 49 HB3 LYS 49 -3.899 43.605 27.395 353 HG2 LYS 49 HG2 LYS 49 -3.829 42.098 25.593 354 HG3 LYS 49 HG3 LYS 49 -2.419 42.888 24.885 355 HD2 LYS 49 HD2 LYS 49 -1.035 42.142 26.728 356 HD3 LYS 49 HD3 LYS 49 -2.441 41.438 27.532 357 HE2 LYS 49 HE2 LYS 49 -2.668 39.766 25.880 358 HE3 LYS 49 HE3 LYS 49 -1.568 40.596 24.780 359 HZ1 LYS 49 HZ1 LYS 49 0.272 40.014 26.076 360 HZ2 LYS 49 HZ2 LYS 49 -0.661 38.604 26.018 361 HZ3 LYS 49 HZ3 LYS 49 -0.674 39.570 27.407 362 H GLU 50 H GLU 50 -1.662 46.332 26.040 363 HA GLU 50 HA GLU 50 -1.189 47.331 23.522 364 HB2 GLU 50 HB2 GLU 50 0.119 48.102 25.371 365 HB3 GLU 50 HB3 GLU 50 0.763 46.493 25.664 366 HG2 GLU 50 HG2 GLU 50 1.274 47.708 23.012 367 HG3 GLU 50 HG3 GLU 50 2.139 48.368 24.399 368 H GLY 51 H GLY 51 -0.745 46.451 21.615 369 HA2 GLY 51 HA2 GLY 51 0.708 45.028 20.286 370 HA3 GLY 51 HA3 GLY 51 0.604 43.827 21.564 371 H GLU 52 H GLU 52 -2.302 44.251 21.883 372 HA GLU 52 HA GLU 52 -3.185 42.271 20.066 373 HB2 GLU 52 HB2 GLU 52 -4.872 44.141 21.737 374 HB3 GLU 52 HB3 GLU 52 -5.389 42.616 21.032 375 HG2 GLU 52 HG2 GLU 52 -3.148 42.791 23.020 376 HG3 GLU 52 HG3 GLU 52 -4.835 42.611 23.500 377 H VAL 53 H VAL 53 -4.687 42.416 18.363 378 HA VAL 53 HA VAL 53 -4.423 44.824 16.788 379 HB VAL 53 HB VAL 53 -5.985 42.324 16.132 380 HG11 VAL 53 HG11 VAL 53 -6.654 44.141 14.735 381 HG12 VAL 53 HG12 VAL 53 -4.978 44.613 14.452 382 HG13 VAL 53 HG13 VAL 53 -5.593 43.100 13.787 383 HG21 VAL 53 HG21 VAL 53 -3.112 42.859 16.170 384 HG22 VAL 53 HG22 VAL 53 -3.979 41.324 16.111 385 HG23 VAL 53 HG23 VAL 53 -3.702 42.238 14.628 386 H CYS 54 H CYS 54 -6.121 46.109 16.023 387 HA CYS 54 HA CYS 54 -8.634 45.878 17.547 388 HB2 CYS 54 HB2 CYS 54 -7.399 48.453 16.558 389 HB3 CYS 54 HB3 CYS 54 -8.783 48.275 17.632 390 H GLY 55 H GLY 55 -10.430 47.227 16.433 391 HA2 GLY 55 HA2 GLY 55 -11.041 48.066 14.131 392 HA3 GLY 55 HA3 GLY 55 -10.367 46.546 13.560 393 H TRP 56 H TRP 56 -11.369 44.709 15.273 394 HA TRP 56 HA TRP 56 -14.139 44.622 14.457 395 HB2 TRP 56 HB2 TRP 56 -12.509 42.627 16.045 396 HB3 TRP 56 HB3 TRP 56 -14.110 42.340 15.370 397 HD1 TRP 56 HD1 TRP 56 -10.444 42.401 14.437 398 HE1 TRP 56 HE1 TRP 56 -10.173 41.587 12.010 399 HE3 TRP 56 HE3 TRP 56 -15.364 42.330 13.049 400 HZ2 TRP 56 HZ2 TRP 56 -11.825 40.994 9.800 401 HZ3 TRP 56 HZ3 TRP 56 -15.934 41.627 10.761 402 HH2 TRP 56 HH2 TRP 56 -14.200 40.974 9.171 403 H GLY 57 H GLY 57 -14.153 46.691 16.041 404 HA2 GLY 57 HA2 GLY 57 -15.192 47.591 17.880 405 HA3 GLY 57 HA3 GLY 57 -15.928 46.014 18.122 406 H SER 58 H SER 58 -12.466 46.573 18.097 407 HA SER 58 HA SER 58 -12.384 45.714 20.904 408 HB2 SER 58 HB2 SER 58 -10.531 45.408 18.585 409 HB3 SER 58 HB3 SER 58 -9.828 45.486 20.201 410 HG SER 58 HG SER 58 -10.465 43.336 19.339 411 H LYS 59 H LYS 59 -12.102 47.246 22.368 412 HA LYS 59 HA LYS 59 -10.675 49.701 21.599 413 HB2 LYS 59 HB2 LYS 59 -12.694 49.197 23.790 414 HB3 LYS 59 HB3 LYS 59 -11.817 50.708 23.590 415 HG2 LYS 59 HG2 LYS 59 -13.664 51.287 22.443 416 HG3 LYS 59 HG3 LYS 59 -12.833 50.460 21.124 417 HD2 LYS 59 HD2 LYS 59 -14.063 48.356 22.173 418 HD3 LYS 59 HD3 LYS 59 -15.178 49.602 22.736 419 HE2 LYS 59 HE2 LYS 59 -15.152 50.426 20.299 420 HE3 LYS 59 HE3 LYS 59 -14.453 48.851 19.923 421 HZ1 LYS 59 HZ1 LYS 59 -16.368 47.755 20.655 422 HZ2 LYS 59 HZ2 LYS 59 -16.953 49.063 19.758 423 HZ3 LYS 59 HZ3 LYS 59 -16.974 49.121 21.448 424 H CYS 60 H CYS 60 -8.668 49.889 22.320 425 HA CYS 60 HA CYS 60 -7.357 48.138 24.000 426 HB2 CYS 60 HB2 CYS 60 -6.733 51.067 23.566 427 HB3 CYS 60 HB3 CYS 60 -5.617 49.870 24.212 428 H CYS 61 H CYS 61 -6.570 48.347 26.167 429 HA CYS 61 HA CYS 61 -8.530 48.941 28.057 430 HB2 CYS 61 HB2 CYS 61 -5.546 48.829 28.538 431 HB3 CYS 61 HB3 CYS 61 -6.813 48.587 29.736 432 H HIS 62 H HIS 62 -8.391 50.522 29.838 433 HA HIS 62 HA HIS 62 -8.462 53.139 28.956 434 HB2 HIS 62 HB2 HIS 62 -8.317 53.769 31.374 435 HB3 HIS 62 HB3 HIS 62 -9.518 52.527 31.030 436 HD1 HIS 62 HD1 HIS 62 -6.426 53.168 32.945 437 HD2 HIS 62 HD2 HIS 62 -8.810 49.915 31.946 438 HE1 HIS 62 HE1 HIS 62 -5.712 51.313 34.486 439 H GLY 63 H GLY 63 -6.901 54.389 28.183 440 HA2 GLY 63 HA2 GLY 63 -4.913 55.686 28.687 441 HA3 GLY 63 HA3 GLY 63 -4.249 54.260 29.469 442 H LEU 64 H LEU 64 -5.329 52.604 27.174 443 HA LEU 64 HA LEU 64 -3.072 53.121 25.369 444 HB2 LEU 64 HB2 LEU 64 -4.701 50.655 25.928 445 HB3 LEU 64 HB3 LEU 64 -3.561 50.765 24.588 446 HG LEU 64 HG LEU 64 -2.587 51.337 27.347 447 HD11 LEU 64 HD11 LEU 64 -4.001 49.185 27.290 448 HD12 LEU 64 HD12 LEU 64 -2.370 49.108 27.957 449 HD13 LEU 64 HD13 LEU 64 -2.682 48.526 26.322 450 HD21 LEU 64 HD21 LEU 64 -1.473 50.336 24.758 451 HD22 LEU 64 HD22 LEU 64 -0.631 50.012 26.274 452 HD23 LEU 64 HD23 LEU 64 -0.930 51.676 25.769 453 H ASP 65 H ASP 65 -3.359 52.947 23.087 454 HA ASP 65 HA ASP 65 -6.099 53.045 22.085 455 HB2 ASP 65 HB2 ASP 65 -5.135 55.404 22.626 456 HB3 ASP 65 HB3 ASP 65 -4.173 55.158 21.171 457 H CYS 66 H CYS 66 -6.166 52.982 19.681 458 HA CYS 66 HA CYS 66 -3.874 51.452 18.637 459 HB2 CYS 66 HB2 CYS 66 -6.707 50.883 18.678 460 HB3 CYS 66 HB3 CYS 66 -6.113 50.928 17.021 461 HA PRO 67 HA PRO 67 -3.323 54.608 15.613 462 HB2 PRO 67 HB2 PRO 67 -1.935 53.174 13.773 463 HB3 PRO 67 HB3 PRO 67 -1.227 53.722 15.297 464 HG2 PRO 67 HG2 PRO 67 -2.329 51.033 14.578 465 HG3 PRO 67 HG3 PRO 67 -0.852 51.434 15.475 466 HD2 PRO 67 HD2 PRO 67 -3.138 50.661 16.703 467 HD3 PRO 67 HD3 PRO 67 -1.997 51.803 17.442 468 H LEU 68 H LEU 68 -3.718 55.038 13.289 469 HA LEU 68 HA LEU 68 -6.169 53.693 12.432 470 HB2 LEU 68 HB2 LEU 68 -4.893 56.324 11.788 471 HB3 LEU 68 HB3 LEU 68 -6.136 55.648 10.737 472 HG LEU 68 HG LEU 68 -6.587 56.127 13.674 473 HD11 LEU 68 HD11 LEU 68 -5.929 58.198 12.283 474 HD12 LEU 68 HD12 LEU 68 -7.390 58.264 13.267 475 HD13 LEU 68 HD13 LEU 68 -7.510 57.998 11.528 476 HD21 LEU 68 HD21 LEU 68 -8.096 54.959 11.534 477 HD22 LEU 68 HD22 LEU 68 -8.917 56.401 12.131 478 HD23 LEU 68 HD23 LEU 68 -8.504 55.096 13.244 479 H ALA 69 H ALA 69 -5.481 51.835 11.436 480 HA ALA 69 HA ALA 69 -4.497 52.108 8.761 481 HB1 ALA 69 HB1 ALA 69 -2.679 50.225 9.817 482 HB2 ALA 69 HB2 ALA 69 -2.327 51.793 9.090 483 HB3 ALA 69 HB3 ALA 69 -2.585 51.667 10.830 484 H PHE 70 H PHE 70 -3.831 49.639 8.057 485 HA PHE 70 HA PHE 70 -6.236 48.241 7.970 486 HB2 PHE 70 HB2 PHE 70 -3.449 47.125 7.593 487 HB3 PHE 70 HB3 PHE 70 -4.943 46.386 7.027 488 HD1 PHE 70 HD1 PHE 70 -2.214 48.306 6.073 489 HD2 PHE 70 HD2 PHE 70 -6.427 48.028 5.533 490 HE1 PHE 70 HE1 PHE 70 -2.022 49.553 3.961 491 HE2 PHE 70 HE2 PHE 70 -6.242 49.273 3.419 492 HZ PHE 70 HZ PHE 70 -4.037 50.037 2.630 493 H ILE 71 H ILE 71 -3.288 47.111 9.632 494 HA ILE 71 HA ILE 71 -5.033 45.851 11.647 495 HB ILE 71 HB ILE 71 -2.294 44.879 10.838 496 HG12 ILE 71 HG12 ILE 71 -4.053 42.952 10.014 497 HG13 ILE 71 HG13 ILE 71 -4.947 44.424 9.648 498 HG21 ILE 71 HG21 ILE 71 -3.469 44.408 13.152 499 HG22 ILE 71 HG22 ILE 71 -4.334 43.201 12.201 500 HG23 ILE 71 HG23 ILE 71 -2.575 43.148 12.303 501 HD11 ILE 71 HD11 ILE 71 -2.382 43.433 8.511 502 HD12 ILE 71 HD12 ILE 71 -3.809 44.071 7.694 503 HD13 ILE 71 HD13 ILE 71 -2.712 45.165 8.537 504 HA PRO 72 HA PRO 72 -2.492 48.987 13.873 505 HB2 PRO 72 HB2 PRO 72 -4.471 49.671 15.601 506 HB3 PRO 72 HB3 PRO 72 -4.306 50.392 13.996 507 HG2 PRO 72 HG2 PRO 72 -6.117 48.189 14.906 508 HG3 PRO 72 HG3 PRO 72 -6.475 49.567 13.849 509 HD2 PRO 72 HD2 PRO 72 -5.986 47.083 12.889 510 HD3 PRO 72 HD3 PRO 72 -5.539 48.554 12.002 511 H TYR 73 H TYR 73 -2.037 49.125 16.241 512 HA TYR 73 HA TYR 73 -2.649 46.696 17.743 513 HB2 TYR 73 HB2 TYR 73 0.201 47.648 17.467 514 HB3 TYR 73 HB3 TYR 73 -0.375 46.157 18.204 515 HD1 TYR 73 HD1 TYR 73 -1.618 44.507 16.612 516 HD2 TYR 73 HD2 TYR 73 0.952 47.621 15.272 517 HE1 TYR 73 HE1 TYR 73 -1.317 43.329 14.474 518 HE2 TYR 73 HE2 TYR 73 1.260 46.453 13.129 519 HH TYR 73 HH TYR 73 0.547 44.765 11.833 520 H CYS 74 H CYS 74 -3.021 47.107 19.829 521 HA CYS 74 HA CYS 74 -3.283 49.650 20.861 522 HB2 CYS 74 HB2 CYS 74 -2.895 46.988 22.218 523 HB3 CYS 74 HB3 CYS 74 -3.155 48.468 23.136 524 H GLU 75 H GLU 75 -2.019 51.052 21.991 525 HA GLU 75 HA GLU 75 0.590 50.300 22.953 526 HB2 GLU 75 HB2 GLU 75 1.829 51.921 21.581 527 HB3 GLU 75 HB3 GLU 75 1.105 50.655 20.600 528 HG2 GLU 75 HG2 GLU 75 -0.833 52.331 20.283 529 HG3 GLU 75 HG3 GLU 75 0.336 53.532 20.831 530 H LYS 76 H LYS 76 1.675 52.087 24.073 531 HA LYS 76 HA LYS 76 0.035 53.427 25.841 532 HB2 LYS 76 HB2 LYS 76 2.827 54.161 24.943 533 HB3 LYS 76 HB3 LYS 76 2.023 54.841 26.352 534 HG2 LYS 76 HG2 LYS 76 2.573 51.906 25.982 535 HG3 LYS 76 HG3 LYS 76 3.629 53.013 26.861 536 HD2 LYS 76 HD2 LYS 76 1.521 53.592 28.226 537 HD3 LYS 76 HD3 LYS 76 0.853 52.105 27.549 538 HE2 LYS 76 HE2 LYS 76 1.851 51.677 29.721 539 HE3 LYS 76 HE3 LYS 76 2.756 50.851 28.455 540 HZ1 LYS 76 HZ1 LYS 76 4.547 52.209 28.718 541 HZ2 LYS 76 HZ2 LYS 76 3.962 52.235 30.304 542 HZ3 LYS 76 HZ3 LYS 76 3.634 53.526 29.261 543 H TYR 77 H TYR 77 -1.365 55.022 25.561 544 HA TYR 77 HA TYR 77 -1.636 56.491 23.188 545 HB2 TYR 77 HB2 TYR 77 -3.488 56.129 24.761 546 HB3 TYR 77 HB3 TYR 77 -2.686 57.149 25.949 547 HD1 TYR 77 HD1 TYR 77 -3.007 59.475 25.940 548 HD2 TYR 77 HD2 TYR 77 -4.205 57.185 22.560 549 HE1 TYR 77 HE1 TYR 77 -4.130 61.453 25.005 550 HE2 TYR 77 HE2 TYR 77 -5.331 59.157 21.616 551 HH TYR 77 HH TYR 77 -6.282 61.271 22.372 552 H ARG 78 H ARG 78 -0.598 58.211 22.436 553 HA ARG 78 HA ARG 78 1.508 59.431 23.929 554 HB2 ARG 78 HB2 ARG 78 0.327 59.851 21.204 555 HB3 ARG 78 HB3 ARG 78 1.463 61.023 21.860 556 HG2 ARG 78 HG2 ARG 78 2.200 58.139 21.880 557 HG3 ARG 78 HG3 ARG 78 2.284 59.041 20.365 558 HD2 ARG 78 HD2 ARG 78 3.601 59.935 22.922 559 HD3 ARG 78 HD3 ARG 78 4.415 58.975 21.688 560 HE ARG 78 HE ARG 78 3.288 61.278 20.516 561 HH11 ARG 78 HH11 ARG 78 5.889 60.295 22.611 562 HH12 ARG 78 HH12 ARG 78 6.918 61.617 22.170 563 HH21 ARG 78 HH21 ARG 78 4.633 63.023 19.928 564 HH22 ARG 78 HH22 ARG 78 6.202 63.169 20.645 Start of MODEL 3 1 H1 GLY 1 H GLY 1 8.381 16.278 -0.898 2 HA2 GLY 1 HA2 GLY 1 9.262 18.305 -2.762 3 HA3 GLY 1 HA3 GLY 1 7.516 18.148 -2.646 4 H ASP 2 H ASP 2 7.988 20.490 -1.982 5 HA ASP 2 HA ASP 2 9.066 21.007 0.589 6 HB2 ASP 2 HB2 ASP 2 8.693 22.648 -1.364 7 HB3 ASP 2 HB3 ASP 2 7.036 22.761 -0.777 8 H CYS 3 H CYS 3 8.225 20.330 2.439 9 HA CYS 3 HA CYS 3 5.573 20.953 3.219 10 HB2 CYS 3 HB2 CYS 3 4.755 18.627 3.527 11 HB3 CYS 3 HB3 CYS 3 4.957 19.065 1.834 12 H ALA 4 H ALA 4 5.050 19.840 5.387 13 HA ALA 4 HA ALA 4 7.486 19.950 7.005 14 HB1 ALA 4 HB1 ALA 4 4.876 20.954 7.349 15 HB2 ALA 4 HB2 ALA 4 5.119 19.723 8.589 16 HB3 ALA 4 HB3 ALA 4 6.243 21.075 8.457 17 H LYS 5 H LYS 5 7.743 18.433 8.796 18 HA LYS 5 HA LYS 5 7.286 15.730 7.923 19 HB2 LYS 5 HB2 LYS 5 8.766 17.019 10.182 20 HB3 LYS 5 HB3 LYS 5 8.404 15.300 10.264 21 HG2 LYS 5 HG2 LYS 5 9.453 15.294 7.857 22 HG3 LYS 5 HG3 LYS 5 10.226 16.773 8.434 23 HD2 LYS 5 HD2 LYS 5 11.463 15.670 10.018 24 HD3 LYS 5 HD3 LYS 5 10.287 14.365 10.184 25 HE2 LYS 5 HE2 LYS 5 11.985 13.288 9.072 26 HE3 LYS 5 HE3 LYS 5 10.986 13.825 7.722 27 HZ1 LYS 5 HZ1 LYS 5 12.484 15.445 7.141 28 HZ2 LYS 5 HZ2 LYS 5 13.529 14.233 7.687 29 HZ3 LYS 5 HZ3 LYS 5 13.164 15.549 8.686 30 H GLU 6 H GLU 6 6.643 14.109 9.752 31 HA GLU 6 HA GLU 6 3.926 14.652 10.396 32 HB2 GLU 6 HB2 GLU 6 4.544 12.396 9.892 33 HB3 GLU 6 HB3 GLU 6 5.780 12.392 11.142 34 HG2 GLU 6 HG2 GLU 6 4.085 12.499 12.865 35 HG3 GLU 6 HG3 GLU 6 2.820 12.599 11.642 36 H GLY 7 H GLY 7 3.181 15.769 12.066 37 HA2 GLY 7 HA2 GLY 7 2.910 16.200 14.371 38 HA3 GLY 7 HA3 GLY 7 4.513 15.539 14.660 39 H GLU 8 H GLU 8 5.669 17.167 12.465 40 HA GLU 8 HA GLU 8 6.525 19.359 13.984 41 HB2 GLU 8 HB2 GLU 8 6.791 18.512 11.147 42 HB3 GLU 8 HB3 GLU 8 7.142 20.194 11.519 43 HG2 GLU 8 HG2 GLU 8 8.395 17.988 13.099 44 HG3 GLU 8 HG3 GLU 8 9.059 18.479 11.542 45 H VAL 9 H VAL 9 6.203 21.633 13.605 46 HA VAL 9 HA VAL 9 3.443 22.311 13.344 47 HB VAL 9 HB VAL 9 5.777 24.222 13.421 48 HG11 VAL 9 HG11 VAL 9 2.851 24.481 13.575 49 HG12 VAL 9 HG12 VAL 9 3.757 25.401 14.778 50 HG13 VAL 9 HG13 VAL 9 4.070 25.646 13.059 51 HG21 VAL 9 HG21 VAL 9 4.861 22.375 15.421 52 HG22 VAL 9 HG22 VAL 9 6.219 23.499 15.477 53 HG23 VAL 9 HG23 VAL 9 4.611 24.034 15.963 54 H CYS 10 H CYS 10 2.467 23.675 11.804 55 HA CYS 10 HA CYS 10 3.870 23.764 9.213 56 HB2 CYS 10 HB2 CYS 10 1.705 23.549 8.122 57 HB3 CYS 10 HB3 CYS 10 1.947 22.211 9.241 58 H SER 11 H SER 11 3.940 25.654 8.109 59 HA SER 11 HA SER 11 2.635 27.976 9.371 60 HB2 SER 11 HB2 SER 11 4.506 29.342 8.579 61 HB3 SER 11 HB3 SER 11 5.097 28.014 9.578 62 HG SER 11 HG SER 11 5.518 28.536 6.917 63 H TRP 12 H TRP 12 2.975 29.880 7.496 64 HA TRP 12 HA TRP 12 0.923 29.363 5.657 65 HB2 TRP 12 HB2 TRP 12 1.712 31.626 6.500 66 HB3 TRP 12 HB3 TRP 12 3.033 31.500 5.341 67 HD1 TRP 12 HD1 TRP 12 -0.600 32.422 5.608 68 HE1 TRP 12 HE1 TRP 12 -1.479 33.151 3.301 69 HE3 TRP 12 HE3 TRP 12 3.362 30.954 2.730 70 HZ2 TRP 12 HZ2 TRP 12 -0.608 33.109 0.616 71 HZ3 TRP 12 HZ3 TRP 12 3.260 31.334 0.301 72 HH2 TRP 12 HH2 TRP 12 1.315 32.389 -0.732 73 H GLY 13 H GLY 13 4.427 29.169 5.364 74 HA2 GLY 13 HA2 GLY 13 4.197 28.471 2.530 75 HA3 GLY 13 HA3 GLY 13 5.690 28.790 3.400 76 H LYS 14 H LYS 14 4.741 26.986 5.616 77 HA LYS 14 HA LYS 14 5.537 24.475 4.319 78 HB2 LYS 14 HB2 LYS 14 6.714 25.634 6.407 79 HB3 LYS 14 HB3 LYS 14 5.467 24.758 7.285 80 HG2 LYS 14 HG2 LYS 14 6.423 22.756 6.915 81 HG3 LYS 14 HG3 LYS 14 6.951 23.189 5.287 82 HD2 LYS 14 HD2 LYS 14 8.998 23.201 6.235 83 HD3 LYS 14 HD3 LYS 14 8.523 24.818 6.761 84 HE2 LYS 14 HE2 LYS 14 7.575 23.675 8.836 85 HE3 LYS 14 HE3 LYS 14 8.477 22.250 8.323 86 HZ1 LYS 14 HZ1 LYS 14 9.423 24.677 9.540 87 HZ2 LYS 14 HZ2 LYS 14 10.322 24.221 8.182 88 HZ3 LYS 14 HZ3 LYS 14 10.143 23.147 9.477 89 H LYS 15 H LYS 15 3.835 23.282 3.753 90 HA LYS 15 HA LYS 15 1.533 23.148 5.580 91 HB2 LYS 15 HB2 LYS 15 1.747 22.518 2.631 92 HB3 LYS 15 HB3 LYS 15 0.305 22.239 3.598 93 HG2 LYS 15 HG2 LYS 15 0.101 24.608 4.039 94 HG3 LYS 15 HG3 LYS 15 1.602 24.923 3.166 95 HD2 LYS 15 HD2 LYS 15 -0.779 23.598 1.887 96 HD3 LYS 15 HD3 LYS 15 -0.552 25.348 1.896 97 HE2 LYS 15 HE2 LYS 15 1.600 25.067 0.759 98 HE3 LYS 15 HE3 LYS 15 1.365 23.320 0.748 99 HZ1 LYS 15 HZ1 LYS 15 -0.602 23.631 -0.623 100 HZ2 LYS 15 HZ2 LYS 15 0.759 24.302 -1.370 101 HZ3 LYS 15 HZ3 LYS 15 -0.372 25.307 -0.615 102 H CYS 16 H CYS 16 0.741 21.186 6.281 103 HA CYS 16 HA CYS 16 2.506 19.128 6.799 104 HB2 CYS 16 HB2 CYS 16 -0.511 19.062 6.618 105 HB3 CYS 16 HB3 CYS 16 0.461 17.748 7.273 106 H CYS 17 H CYS 17 3.463 17.700 5.526 107 HA CYS 17 HA CYS 17 3.031 17.382 2.818 108 HB2 CYS 17 HB2 CYS 17 4.841 16.401 4.629 109 HB3 CYS 17 HB3 CYS 17 3.974 14.943 4.159 110 H ASP 18 H ASP 18 1.620 15.593 5.510 111 HA ASP 18 HA ASP 18 -0.019 14.058 3.618 112 HB2 ASP 18 HB2 ASP 18 0.932 13.585 6.400 113 HB3 ASP 18 HB3 ASP 18 -0.631 12.909 5.948 114 H LEU 19 H LEU 19 -1.623 15.497 3.086 115 HA LEU 19 HA LEU 19 -3.045 16.962 5.126 116 HB2 LEU 19 HB2 LEU 19 -3.557 16.652 2.172 117 HB3 LEU 19 HB3 LEU 19 -4.447 17.733 3.242 118 HG LEU 19 HG LEU 19 -1.538 17.933 2.472 119 HD11 LEU 19 HD11 LEU 19 -3.627 18.706 1.001 120 HD12 LEU 19 HD12 LEU 19 -2.112 19.606 1.060 121 HD13 LEU 19 HD13 LEU 19 -3.481 20.120 2.045 122 HD21 LEU 19 HD21 LEU 19 -3.151 19.656 4.350 123 HD22 LEU 19 HD22 LEU 19 -1.502 19.976 3.811 124 HD23 LEU 19 HD23 LEU 19 -1.846 18.562 4.809 125 H ASP 20 H ASP 20 -3.588 14.134 3.102 126 HA ASP 20 HA ASP 20 -6.305 13.735 3.637 127 HB2 ASP 20 HB2 ASP 20 -4.133 11.710 3.058 128 HB3 ASP 20 HB3 ASP 20 -5.858 11.355 3.044 129 H ASN 21 H ASN 21 -3.430 12.851 5.458 130 HA ASN 21 HA ASN 21 -5.085 11.547 7.493 131 HB2 ASN 21 HB2 ASN 21 -2.090 11.707 7.612 132 HB3 ASN 21 HB3 ASN 21 -3.162 10.469 8.260 133 HD21 ASN 21 HD21 ASN 21 -4.428 9.264 6.556 134 HD22 ASN 21 HD22 ASN 21 -3.561 8.802 5.135 135 H PHE 22 H PHE 22 -2.359 13.850 7.403 136 HA PHE 22 HA PHE 22 -3.247 14.953 9.958 137 HB2 PHE 22 HB2 PHE 22 -0.781 15.739 8.406 138 HB3 PHE 22 HB3 PHE 22 -1.105 15.985 10.119 139 HD1 PHE 22 HD1 PHE 22 1.107 14.410 8.312 140 HD2 PHE 22 HD2 PHE 22 -2.059 13.350 10.952 141 HE1 PHE 22 HE1 PHE 22 2.249 12.292 8.826 142 HE2 PHE 22 HE2 PHE 22 -0.922 11.231 11.471 143 HZ PHE 22 HZ PHE 22 1.235 10.700 10.408 144 H TYR 23 H TYR 23 -2.974 17.414 10.148 145 HA TYR 23 HA TYR 23 -3.418 19.004 7.823 146 HB2 TYR 23 HB2 TYR 23 -5.704 19.609 8.133 147 HB3 TYR 23 HB3 TYR 23 -5.645 17.850 8.136 148 HD1 TYR 23 HD1 TYR 23 -7.118 20.553 9.680 149 HD2 TYR 23 HD2 TYR 23 -5.194 16.883 10.648 150 HE1 TYR 23 HE1 TYR 23 -8.276 20.525 11.849 151 HE2 TYR 23 HE2 TYR 23 -6.348 16.845 12.820 152 HH TYR 23 HH TYR 23 -7.473 18.232 14.332 153 H CYS 24 H CYS 24 -4.292 21.275 8.590 154 HA CYS 24 HA CYS 24 -2.762 21.959 11.009 155 HB2 CYS 24 HB2 CYS 24 -3.472 23.634 8.593 156 HB3 CYS 24 HB3 CYS 24 -2.666 24.259 10.028 157 HA PRO 25 HA PRO 25 -7.085 22.649 12.346 158 HB2 PRO 25 HB2 PRO 25 -6.570 22.144 14.963 159 HB3 PRO 25 HB3 PRO 25 -6.895 20.868 13.784 160 HG2 PRO 25 HG2 PRO 25 -4.271 21.840 14.849 161 HG3 PRO 25 HG3 PRO 25 -4.818 20.176 14.569 162 HD2 PRO 25 HD2 PRO 25 -3.188 21.484 12.847 163 HD3 PRO 25 HD3 PRO 25 -4.374 20.278 12.309 164 H MET 26 H MET 26 -8.000 24.284 13.690 165 HA MET 26 HA MET 26 -6.350 26.642 13.878 166 HB2 MET 26 HB2 MET 26 -8.605 26.907 13.071 167 HB3 MET 26 HB3 MET 26 -9.260 26.145 14.514 168 HG2 MET 26 HG2 MET 26 -8.934 27.998 15.814 169 HG3 MET 26 HG3 MET 26 -7.608 28.596 14.820 170 HE1 MET 26 HE1 MET 26 -9.458 29.133 11.580 171 HE2 MET 26 HE2 MET 26 -8.658 30.547 12.268 172 HE3 MET 26 HE3 MET 26 -7.918 28.953 12.422 173 H GLU 27 H GLU 27 -4.936 26.618 15.536 174 HA GLU 27 HA GLU 27 -5.946 26.865 18.202 175 HB2 GLU 27 HB2 GLU 27 -4.664 24.988 19.165 176 HB3 GLU 27 HB3 GLU 27 -5.937 24.443 18.082 177 HG2 GLU 27 HG2 GLU 27 -4.050 24.421 16.300 178 HG3 GLU 27 HG3 GLU 27 -2.980 24.393 17.701 179 H PHE 28 H PHE 28 -3.945 26.896 19.784 180 HA PHE 28 HA PHE 28 -2.371 29.066 19.130 181 HB2 PHE 28 HB2 PHE 28 -1.826 26.841 21.102 182 HB3 PHE 28 HB3 PHE 28 -0.897 28.334 21.025 183 HD1 PHE 28 HD1 PHE 28 -3.980 26.768 22.098 184 HD2 PHE 28 HD2 PHE 28 -1.959 30.481 21.602 185 HE1 PHE 28 HE1 PHE 28 -5.613 27.852 23.585 186 HE2 PHE 28 HE2 PHE 28 -3.588 31.571 23.089 187 HZ PHE 28 HZ PHE 28 -5.418 30.256 24.083 188 H ILE 29 H ILE 29 -1.313 25.659 19.204 189 HA ILE 29 HA ILE 29 0.729 26.358 17.197 190 HB ILE 29 HB ILE 29 1.057 24.227 19.306 191 HG12 ILE 29 HG12 ILE 29 2.868 26.084 20.012 192 HG13 ILE 29 HG13 ILE 29 1.622 27.142 19.359 193 HG21 ILE 29 HG21 ILE 29 2.316 24.041 17.138 194 HG22 ILE 29 HG22 ILE 29 3.141 25.536 17.576 195 HG23 ILE 29 HG23 ILE 29 3.317 24.103 18.589 196 HD11 ILE 29 HD11 ILE 29 0.083 25.645 20.913 197 HD12 ILE 29 HD12 ILE 29 1.604 25.458 21.787 198 HD13 ILE 29 HD13 ILE 29 0.937 27.067 21.511 199 HA PRO 30 HA PRO 30 -1.777 23.249 15.073 200 HB2 PRO 30 HB2 PRO 30 -0.846 23.882 12.603 201 HB3 PRO 30 HB3 PRO 30 -2.120 24.800 13.414 202 HG2 PRO 30 HG2 PRO 30 0.803 25.405 13.194 203 HG3 PRO 30 HG3 PRO 30 -0.582 26.500 13.024 204 HD2 PRO 30 HD2 PRO 30 0.889 26.354 15.293 205 HD3 PRO 30 HD3 PRO 30 -0.848 26.721 15.303 206 H HIS 31 H HIS 31 -1.118 21.201 15.128 207 HA HIS 31 HA HIS 31 1.640 20.583 14.292 208 HB2 HIS 31 HB2 HIS 31 -0.128 19.004 16.173 209 HB3 HIS 31 HB3 HIS 31 1.543 18.634 15.758 210 HD1 HIS 31 HD1 HIS 31 -0.224 19.911 18.458 211 HD2 HIS 31 HD2 HIS 31 3.154 21.225 16.430 212 HE1 HIS 31 HE1 HIS 31 0.966 21.443 20.058 213 H CYS 32 H CYS 32 2.006 18.898 12.881 214 HA CYS 32 HA CYS 32 -0.172 18.233 11.134 215 HB2 CYS 32 HB2 CYS 32 2.743 17.450 11.182 216 HB3 CYS 32 HB3 CYS 32 1.617 16.856 9.966 217 H LYS 33 H LYS 33 -1.273 17.222 13.140 218 HA LYS 33 HA LYS 33 -0.538 14.373 13.306 219 HB2 LYS 33 HB2 LYS 33 -1.467 14.290 15.489 220 HB3 LYS 33 HB3 LYS 33 -0.471 15.738 15.437 221 HG2 LYS 33 HG2 LYS 33 -2.448 17.114 15.130 222 HG3 LYS 33 HG3 LYS 33 -3.465 15.671 15.115 223 HD2 LYS 33 HD2 LYS 33 -3.680 16.376 17.303 224 HD3 LYS 33 HD3 LYS 33 -2.362 15.209 17.432 225 HE2 LYS 33 HE2 LYS 33 -0.739 16.897 17.588 226 HE3 LYS 33 HE3 LYS 33 -1.844 18.133 16.988 227 HZ1 LYS 33 HZ1 LYS 33 -2.773 18.413 19.009 228 HZ2 LYS 33 HZ2 LYS 33 -1.283 17.826 19.553 229 HZ3 LYS 33 HZ3 LYS 33 -2.615 16.787 19.452 230 H LYS 34 H LYS 34 -2.471 12.932 13.776 231 HA LYS 34 HA LYS 34 -4.340 13.201 11.660 232 HB2 LYS 34 HB2 LYS 34 -4.338 11.329 14.035 233 HB3 LYS 34 HB3 LYS 34 -5.387 11.175 12.632 234 HG2 LYS 34 HG2 LYS 34 -2.996 11.250 11.410 235 HG3 LYS 34 HG3 LYS 34 -2.534 10.519 12.949 236 HD2 LYS 34 HD2 LYS 34 -3.073 8.675 11.646 237 HD3 LYS 34 HD3 LYS 34 -4.565 8.964 12.545 238 HE2 LYS 34 HE2 LYS 34 -4.302 10.377 9.967 239 HE3 LYS 34 HE3 LYS 34 -4.467 8.625 9.876 240 HZ1 LYS 34 HZ1 LYS 34 -6.436 10.593 10.481 241 HZ2 LYS 34 HZ2 LYS 34 -6.356 9.418 11.695 242 HZ3 LYS 34 HZ3 LYS 34 -6.637 8.959 10.092 243 H TYR 35 H TYR 35 -6.697 13.188 11.907 244 HA TYR 35 HA TYR 35 -7.649 15.400 13.288 245 HB2 TYR 35 HB2 TYR 35 -8.993 13.018 12.054 246 HB3 TYR 35 HB3 TYR 35 -9.942 14.202 12.946 247 HD1 TYR 35 HD1 TYR 35 -8.697 13.330 9.784 248 HD2 TYR 35 HD2 TYR 35 -9.513 16.713 12.232 249 HE1 TYR 35 HE1 TYR 35 -8.796 14.750 7.779 250 HE2 TYR 35 HE2 TYR 35 -9.616 18.142 10.233 251 HH TYR 35 HH TYR 35 -8.623 18.035 7.841 252 H LYS 36 H LYS 36 -9.176 15.532 15.056 253 HA LYS 36 HA LYS 36 -8.898 13.350 17.014 254 HB2 LYS 36 HB2 LYS 36 -8.558 16.313 17.419 255 HB3 LYS 36 HB3 LYS 36 -8.963 15.245 18.756 256 HG2 LYS 36 HG2 LYS 36 -6.592 14.706 17.009 257 HG3 LYS 36 HG3 LYS 36 -6.500 15.834 18.363 258 HD2 LYS 36 HD2 LYS 36 -7.676 13.151 18.865 259 HD3 LYS 36 HD3 LYS 36 -5.929 13.257 18.636 260 HE2 LYS 36 HE2 LYS 36 -5.992 13.608 20.878 261 HE3 LYS 36 HE3 LYS 36 -6.235 15.272 20.351 262 HZ1 LYS 36 HZ1 LYS 36 -7.811 14.525 22.085 263 HZ2 LYS 36 HZ2 LYS 36 -8.444 13.398 20.994 264 HZ3 LYS 36 HZ3 LYS 36 -8.575 15.053 20.671 265 HA PRO 37 HA PRO 37 -13.251 13.496 17.551 266 HB2 PRO 37 HB2 PRO 37 -13.504 12.951 20.198 267 HB3 PRO 37 HB3 PRO 37 -13.023 11.735 19.009 268 HG2 PRO 37 HG2 PRO 37 -11.317 13.333 20.878 269 HG3 PRO 37 HG3 PRO 37 -11.216 11.611 20.467 270 HD2 PRO 37 HD2 PRO 37 -9.579 13.469 19.371 271 HD3 PRO 37 HD3 PRO 37 -10.104 12.020 18.490 272 H TYR 38 H TYR 38 -15.023 14.574 18.714 273 HA TYR 38 HA TYR 38 -14.579 17.344 18.968 274 HB2 TYR 38 HB2 TYR 38 -16.942 15.698 19.893 275 HB3 TYR 38 HB3 TYR 38 -16.923 17.449 19.723 276 HD1 TYR 38 HD1 TYR 38 -18.324 14.798 18.277 277 HD2 TYR 38 HD2 TYR 38 -15.672 17.942 17.189 278 HE1 TYR 38 HE1 TYR 38 -19.027 14.571 15.931 279 HE2 TYR 38 HE2 TYR 38 -16.368 17.725 14.841 280 HH TYR 38 HH TYR 38 -17.611 16.605 13.385 281 H VAL 39 H VAL 39 -13.819 18.486 20.612 282 HA VAL 39 HA VAL 39 -14.157 17.450 23.345 283 HB VAL 39 HB VAL 39 -11.629 18.707 22.267 284 HG11 VAL 39 HG11 VAL 39 -10.686 18.288 24.452 285 HG12 VAL 39 HG12 VAL 39 -12.136 19.279 24.617 286 HG13 VAL 39 HG13 VAL 39 -12.195 17.558 24.998 287 HG21 VAL 39 HG21 VAL 39 -11.409 16.587 21.470 288 HG22 VAL 39 HG22 VAL 39 -10.827 16.315 23.112 289 HG23 VAL 39 HG23 VAL 39 -12.486 15.898 22.685 290 HA PRO 40 HA PRO 40 -15.772 21.507 24.054 291 HB2 PRO 40 HB2 PRO 40 -15.839 21.386 26.765 292 HB3 PRO 40 HB3 PRO 40 -17.004 20.545 25.737 293 HG2 PRO 40 HG2 PRO 40 -14.560 19.477 27.095 294 HG3 PRO 40 HG3 PRO 40 -16.171 18.750 26.958 295 HD2 PRO 40 HD2 PRO 40 -14.099 18.009 25.380 296 HD3 PRO 40 HD3 PRO 40 -15.782 17.988 24.818 297 H VAL 41 H VAL 41 -14.656 23.342 23.930 298 HA VAL 41 HA VAL 41 -12.073 23.543 25.310 299 HB VAL 41 HB VAL 41 -13.183 25.347 23.157 300 HG11 VAL 41 HG11 VAL 41 -10.699 25.300 24.754 301 HG12 VAL 41 HG12 VAL 41 -10.520 25.642 23.031 302 HG13 VAL 41 HG13 VAL 41 -11.559 26.659 24.030 303 HG21 VAL 41 HG21 VAL 41 -12.907 23.283 22.090 304 HG22 VAL 41 HG22 VAL 41 -11.404 24.144 21.760 305 HG23 VAL 41 HG23 VAL 41 -11.451 22.900 23.009 306 H THR 42 H THR 42 -11.690 25.020 26.866 307 HA THR 42 HA THR 42 -13.951 26.385 28.021 308 HB THR 42 HB THR 42 -12.230 27.185 29.704 309 HG1 THR 42 HG1 THR 42 -10.514 25.230 28.615 310 HG21 THR 42 HG21 THR 42 -13.126 25.418 30.741 311 HG22 THR 42 HG22 THR 42 -11.743 24.490 30.160 312 HG23 THR 42 HG23 THR 42 -13.244 24.508 29.235 313 H THR 43 H THR 43 -13.866 28.676 28.628 314 HA THR 43 HA THR 43 -13.004 30.281 26.372 315 HB THR 43 HB THR 43 -14.111 32.149 27.786 316 HG1 THR 43 HG1 THR 43 -15.466 31.427 29.406 317 HG21 THR 43 HG21 THR 43 -16.107 31.759 26.709 318 HG22 THR 43 HG22 THR 43 -16.079 30.029 27.053 319 HG23 THR 43 HG23 THR 43 -15.037 30.696 25.796 320 H SER 44 H SER 44 -10.696 29.959 26.826 321 HA SER 44 HA SER 44 -9.633 31.315 29.168 322 HB2 SER 44 HB2 SER 44 -7.409 30.601 28.153 323 HB3 SER 44 HB3 SER 44 -8.495 29.295 28.625 324 HG SER 44 HG SER 44 -7.557 29.033 26.516 325 H PHE 45 H PHE 45 -7.785 32.851 28.848 326 HA PHE 45 HA PHE 45 -8.635 34.977 27.117 327 HB2 PHE 45 HB2 PHE 45 -6.175 34.774 28.868 328 HB3 PHE 45 HB3 PHE 45 -6.787 36.244 28.115 329 HD1 PHE 45 HD1 PHE 45 -7.214 33.845 30.817 330 HD2 PHE 45 HD2 PHE 45 -8.821 37.307 28.934 331 HE1 PHE 45 HE1 PHE 45 -8.619 34.263 32.793 332 HE2 PHE 45 HE2 PHE 45 -10.227 37.732 30.907 333 HZ PHE 45 HZ PHE 45 -10.127 36.210 32.841 334 H ASN 46 H ASN 46 -7.473 35.918 25.416 335 HA ASN 46 HA ASN 46 -5.026 34.761 24.461 336 HB2 ASN 46 HB2 ASN 46 -6.948 33.196 23.719 337 HB3 ASN 46 HB3 ASN 46 -7.370 34.485 22.596 338 HD21 ASN 46 HD21 ASN 46 -6.923 32.693 21.068 339 HD22 ASN 46 HD22 ASN 46 -5.299 32.502 20.508 340 H CYS 47 H CYS 47 -4.086 35.952 22.746 341 HA CYS 47 HA CYS 47 -5.464 38.461 22.063 342 HB2 CYS 47 HB2 CYS 47 -3.177 39.558 22.170 343 HB3 CYS 47 HB3 CYS 47 -3.889 39.114 23.718 344 H ALA 48 H ALA 48 -4.728 39.471 20.090 345 HA ALA 48 HA ALA 48 -4.256 37.551 18.019 346 HB1 ALA 48 HB1 ALA 48 -4.210 39.646 16.565 347 HB2 ALA 48 HB2 ALA 48 -5.706 39.298 17.433 348 HB3 ALA 48 HB3 ALA 48 -4.602 40.534 18.038 349 H LYS 49 H LYS 49 -2.318 36.758 17.562 350 HA LYS 49 HA LYS 49 0.102 38.089 18.351 351 HB2 LYS 49 HB2 LYS 49 1.233 36.147 17.353 352 HB3 LYS 49 HB3 LYS 49 -0.049 35.659 18.453 353 HG2 LYS 49 HG2 LYS 49 -1.529 35.369 16.451 354 HG3 LYS 49 HG3 LYS 49 -0.100 35.626 15.447 355 HD2 LYS 49 HD2 LYS 49 -0.249 33.511 17.586 356 HD3 LYS 49 HD3 LYS 49 -0.707 33.217 15.907 357 HE2 LYS 49 HE2 LYS 49 1.945 34.449 16.447 358 HE3 LYS 49 HE3 LYS 49 1.740 32.734 16.798 359 HZ1 LYS 49 HZ1 LYS 49 1.929 34.075 14.261 360 HZ2 LYS 49 HZ2 LYS 49 0.640 32.984 14.343 361 HZ3 LYS 49 HZ3 LYS 49 2.216 32.454 14.651 362 H GLU 50 H GLU 50 1.910 38.419 16.797 363 HA GLU 50 HA GLU 50 1.318 40.297 14.876 364 HB2 GLU 50 HB2 GLU 50 3.559 40.099 15.685 365 HB3 GLU 50 HB3 GLU 50 3.688 38.445 15.105 366 HG2 GLU 50 HG2 GLU 50 3.151 40.598 13.130 367 HG3 GLU 50 HG3 GLU 50 4.774 40.451 13.803 368 H GLY 51 H GLY 51 0.407 40.226 12.933 369 HA2 GLY 51 HA2 GLY 51 0.405 39.308 10.683 370 HA3 GLY 51 HA3 GLY 51 0.576 37.711 11.397 371 H GLU 52 H GLU 52 -1.423 38.308 13.489 372 HA GLU 52 HA GLU 52 -3.710 37.360 12.123 373 HB2 GLU 52 HB2 GLU 52 -3.524 38.551 14.895 374 HB3 GLU 52 HB3 GLU 52 -4.855 37.584 14.275 375 HG2 GLU 52 HG2 GLU 52 -2.053 36.527 14.414 376 HG3 GLU 52 HG3 GLU 52 -3.166 36.428 15.778 377 H VAL 53 H VAL 53 -5.729 38.363 11.786 378 HA VAL 53 HA VAL 53 -5.521 41.157 11.070 379 HB VAL 53 HB VAL 53 -7.902 39.314 10.828 380 HG11 VAL 53 HG11 VAL 53 -8.504 40.983 9.009 381 HG12 VAL 53 HG12 VAL 53 -8.671 41.536 10.676 382 HG13 VAL 53 HG13 VAL 53 -7.279 42.036 9.715 383 HG21 VAL 53 HG21 VAL 53 -6.680 38.258 9.285 384 HG22 VAL 53 HG22 VAL 53 -6.877 39.709 8.302 385 HG23 VAL 53 HG23 VAL 53 -5.434 39.506 9.296 386 H CYS 54 H CYS 54 -6.807 42.832 11.861 387 HA CYS 54 HA CYS 54 -8.106 42.285 14.450 388 HB2 CYS 54 HB2 CYS 54 -6.792 44.882 13.638 389 HB3 CYS 54 HB3 CYS 54 -7.396 44.444 15.233 390 H GLY 55 H GLY 55 -9.557 44.340 15.013 391 HA2 GLY 55 HA2 GLY 55 -11.056 45.999 14.044 392 HA3 GLY 55 HA3 GLY 55 -11.148 44.986 12.610 393 H TRP 56 H TRP 56 -11.440 42.504 14.070 394 HA TRP 56 HA TRP 56 -14.283 42.728 14.638 395 HB2 TRP 56 HB2 TRP 56 -12.432 40.376 14.255 396 HB3 TRP 56 HB3 TRP 56 -14.109 40.189 14.762 397 HD1 TRP 56 HD1 TRP 56 -11.968 40.844 11.719 398 HE1 TRP 56 HE1 TRP 56 -13.463 40.917 9.625 399 HE3 TRP 56 HE3 TRP 56 -16.547 40.879 13.992 400 HZ2 TRP 56 HZ2 TRP 56 -16.219 40.981 9.018 401 HZ3 TRP 56 HZ3 TRP 56 -18.563 40.947 12.583 402 HH2 TRP 56 HH2 TRP 56 -18.400 40.998 10.147 403 H GLY 57 H GLY 57 -12.954 44.015 16.596 404 HA2 GLY 57 HA2 GLY 57 -12.825 44.149 18.884 405 HA3 GLY 57 HA3 GLY 57 -13.835 42.711 18.935 406 H SER 58 H SER 58 -10.695 42.842 17.376 407 HA SER 58 HA SER 58 -9.678 41.008 19.447 408 HB2 SER 58 HB2 SER 58 -9.570 39.642 17.620 409 HB3 SER 58 HB3 SER 58 -9.487 40.989 16.485 410 HG SER 58 HG SER 58 -7.363 40.143 18.169 411 H LYS 59 H LYS 59 -8.098 41.780 20.664 412 HA LYS 59 HA LYS 59 -6.567 44.094 19.707 413 HB2 LYS 59 HB2 LYS 59 -6.607 43.029 22.526 414 HB3 LYS 59 HB3 LYS 59 -6.124 44.628 21.976 415 HG2 LYS 59 HG2 LYS 59 -8.930 43.545 21.847 416 HG3 LYS 59 HG3 LYS 59 -8.310 44.605 23.115 417 HD2 LYS 59 HD2 LYS 59 -7.971 45.481 20.298 418 HD3 LYS 59 HD3 LYS 59 -9.597 45.540 20.983 419 HE2 LYS 59 HE2 LYS 59 -8.791 47.633 21.514 420 HE3 LYS 59 HE3 LYS 59 -8.413 46.726 22.977 421 HZ1 LYS 59 HZ1 LYS 59 -6.233 46.963 22.645 422 HZ2 LYS 59 HZ2 LYS 59 -6.648 48.199 21.568 423 HZ3 LYS 59 HZ3 LYS 59 -6.335 46.642 20.987 424 H CYS 60 H CYS 60 -4.435 43.985 19.328 425 HA CYS 60 HA CYS 60 -3.128 41.538 19.014 426 HB2 CYS 60 HB2 CYS 60 -2.025 44.340 19.266 427 HB3 CYS 60 HB3 CYS 60 -1.043 42.944 18.834 428 H CYS 61 H CYS 61 -1.137 40.816 20.103 429 HA CYS 61 HA CYS 61 -1.555 40.550 22.898 430 HB2 CYS 61 HB2 CYS 61 0.772 39.787 21.128 431 HB3 CYS 61 HB3 CYS 61 0.680 39.385 22.839 432 H HIS 62 H HIS 62 0.291 40.941 24.480 433 HA HIS 62 HA HIS 62 0.721 43.675 24.772 434 HB2 HIS 62 HB2 HIS 62 0.909 41.754 26.505 435 HB3 HIS 62 HB3 HIS 62 2.585 41.645 25.974 436 HD1 HIS 62 HD1 HIS 62 2.626 42.323 28.724 437 HD2 HIS 62 HD2 HIS 62 1.823 45.281 25.919 438 HE1 HIS 62 HE1 HIS 62 3.119 44.500 29.883 439 H GLY 63 H GLY 63 1.921 44.988 23.574 440 HA2 GLY 63 HA2 GLY 63 4.036 45.787 22.847 441 HA3 GLY 63 HA3 GLY 63 4.618 44.129 22.807 442 H LEU 64 H LEU 64 1.529 44.693 21.426 443 HA LEU 64 HA LEU 64 2.640 44.993 18.738 444 HB2 LEU 64 HB2 LEU 64 0.859 42.744 19.646 445 HB3 LEU 64 HB3 LEU 64 1.075 43.179 17.952 446 HG LEU 64 HG LEU 64 3.464 42.517 19.621 447 HD11 LEU 64 HD11 LEU 64 2.375 40.263 18.137 448 HD12 LEU 64 HD12 LEU 64 1.353 40.765 19.483 449 HD13 LEU 64 HD13 LEU 64 3.039 40.333 19.770 450 HD21 LEU 64 HD21 LEU 64 2.762 42.791 16.778 451 HD22 LEU 64 HD22 LEU 64 3.814 41.430 17.170 452 HD23 LEU 64 HD23 LEU 64 4.295 43.071 17.605 453 H ASP 65 H ASP 65 1.194 45.842 17.210 454 HA ASP 65 HA ASP 65 -1.482 46.571 18.119 455 HB2 ASP 65 HB2 ASP 65 0.292 48.410 18.628 456 HB3 ASP 65 HB3 ASP 65 0.233 48.708 16.893 457 H CYS 66 H CYS 66 -2.784 47.539 16.329 458 HA CYS 66 HA CYS 66 -1.978 46.363 13.750 459 HB2 CYS 66 HB2 CYS 66 -4.448 46.206 15.287 460 HB3 CYS 66 HB3 CYS 66 -4.726 46.749 13.636 461 HA PRO 67 HA PRO 67 -2.028 50.428 12.049 462 HB2 PRO 67 HB2 PRO 67 -2.269 49.763 9.428 463 HB3 PRO 67 HB3 PRO 67 -0.767 49.557 10.337 464 HG2 PRO 67 HG2 PRO 67 -2.860 47.529 9.652 465 HG3 PRO 67 HG3 PRO 67 -1.094 47.378 9.595 466 HD2 PRO 67 HD2 PRO 67 -2.577 46.388 11.633 467 HD3 PRO 67 HD3 PRO 67 -0.928 47.004 11.863 468 H LEU 68 H LEU 68 -3.367 51.823 10.634 469 HA LEU 68 HA LEU 68 -6.194 51.228 11.046 470 HB2 LEU 68 HB2 LEU 68 -4.674 53.729 10.377 471 HB3 LEU 68 HB3 LEU 68 -6.431 53.651 10.267 472 HG LEU 68 HG LEU 68 -4.787 53.254 12.766 473 HD11 LEU 68 HD11 LEU 68 -6.134 55.351 13.407 474 HD12 LEU 68 HD12 LEU 68 -6.371 55.548 11.670 475 HD13 LEU 68 HD13 LEU 68 -4.740 55.539 12.342 476 HD21 LEU 68 HD21 LEU 68 -6.587 52.015 13.335 477 HD22 LEU 68 HD22 LEU 68 -7.620 52.751 12.108 478 HD23 LEU 68 HD23 LEU 68 -7.308 53.599 13.624 479 H ALA 69 H ALA 69 -6.758 49.835 9.418 480 HA ALA 69 HA ALA 69 -7.225 51.000 6.843 481 HB1 ALA 69 HB1 ALA 69 -4.900 50.370 6.530 482 HB2 ALA 69 HB2 ALA 69 -5.264 48.716 7.025 483 HB3 ALA 69 HB3 ALA 69 -5.951 49.362 5.535 484 H PHE 70 H PHE 70 -7.866 48.934 5.305 485 HA PHE 70 HA PHE 70 -10.294 48.014 6.327 486 HB2 PHE 70 HB2 PHE 70 -8.616 47.322 3.958 487 HB3 PHE 70 HB3 PHE 70 -9.949 46.250 4.376 488 HD1 PHE 70 HD1 PHE 70 -9.659 49.958 4.545 489 HD2 PHE 70 HD2 PHE 70 -11.604 46.593 2.809 490 HE1 PHE 70 HE1 PHE 70 -11.225 51.464 3.390 491 HE2 PHE 70 HE2 PHE 70 -13.173 48.094 1.651 492 HZ PHE 70 HZ PHE 70 -12.986 50.532 1.942 493 H ILE 71 H ILE 71 -7.493 45.956 5.524 494 HA ILE 71 HA ILE 71 -8.261 44.213 7.775 495 HB ILE 71 HB ILE 71 -6.919 43.393 5.196 496 HG12 ILE 71 HG12 ILE 71 -9.246 41.986 5.334 497 HG13 ILE 71 HG13 ILE 71 -9.734 43.505 6.078 498 HG21 ILE 71 HG21 ILE 71 -7.988 41.220 6.705 499 HG22 ILE 71 HG22 ILE 71 -6.321 41.516 6.213 500 HG23 ILE 71 HG23 ILE 71 -6.919 42.170 7.737 501 HD11 ILE 71 HD11 ILE 71 -10.125 44.181 3.995 502 HD12 ILE 71 HD12 ILE 71 -8.374 44.347 3.863 503 HD13 ILE 71 HD13 ILE 71 -9.165 42.878 3.295 504 HA PRO 72 HA PRO 72 -4.069 45.855 8.755 505 HB2 PRO 72 HB2 PRO 72 -4.525 46.015 11.426 506 HB3 PRO 72 HB3 PRO 72 -4.976 47.297 10.296 507 HG2 PRO 72 HG2 PRO 72 -6.678 45.148 11.500 508 HG3 PRO 72 HG3 PRO 72 -7.045 46.867 11.268 509 HD2 PRO 72 HD2 PRO 72 -7.973 44.942 9.605 510 HD3 PRO 72 HD3 PRO 72 -7.584 46.582 9.045 511 H TYR 73 H TYR 73 -2.450 44.970 10.313 512 HA TYR 73 HA TYR 73 -2.973 42.230 11.181 513 HB2 TYR 73 HB2 TYR 73 -0.550 42.902 9.510 514 HB3 TYR 73 HB3 TYR 73 -1.066 41.311 10.058 515 HD1 TYR 73 HD1 TYR 73 -3.426 40.543 9.215 516 HD2 TYR 73 HD2 TYR 73 -1.103 43.592 7.368 517 HE1 TYR 73 HE1 TYR 73 -4.682 40.225 7.124 518 HE2 TYR 73 HE2 TYR 73 -2.353 43.283 5.272 519 HH TYR 73 HH TYR 73 -4.179 42.331 4.341 520 H CYS 74 H CYS 74 -2.080 41.799 13.099 521 HA CYS 74 HA CYS 74 -0.937 43.717 14.716 522 HB2 CYS 74 HB2 CYS 74 -0.822 40.709 14.805 523 HB3 CYS 74 HB3 CYS 74 -0.054 41.696 16.044 524 H GLU 75 H GLU 75 1.100 44.394 15.195 525 HA GLU 75 HA GLU 75 3.426 43.028 14.187 526 HB2 GLU 75 HB2 GLU 75 4.239 44.816 12.775 527 HB3 GLU 75 HB3 GLU 75 2.662 44.295 12.202 528 HG2 GLU 75 HG2 GLU 75 2.412 46.553 12.087 529 HG3 GLU 75 HG3 GLU 75 1.809 46.255 13.717 530 H LYS 76 H LYS 76 5.421 43.964 14.950 531 HA LYS 76 HA LYS 76 5.396 44.739 17.598 532 HB2 LYS 76 HB2 LYS 76 7.507 45.274 15.502 533 HB3 LYS 76 HB3 LYS 76 7.755 45.461 17.233 534 HG2 LYS 76 HG2 LYS 76 6.970 42.875 15.908 535 HG3 LYS 76 HG3 LYS 76 8.629 43.334 16.300 536 HD2 LYS 76 HD2 LYS 76 8.138 43.376 18.640 537 HD3 LYS 76 HD3 LYS 76 6.410 43.182 18.335 538 HE2 LYS 76 HE2 LYS 76 6.786 40.955 17.460 539 HE3 LYS 76 HE3 LYS 76 8.528 41.149 17.641 540 HZ1 LYS 76 HZ1 LYS 76 6.853 41.507 20.013 541 HZ2 LYS 76 HZ2 LYS 76 8.421 40.885 19.883 542 HZ3 LYS 76 HZ3 LYS 76 7.094 39.930 19.448 543 H TYR 77 H TYR 77 4.712 46.526 18.556 544 HA TYR 77 HA TYR 77 3.812 48.814 17.302 545 HB2 TYR 77 HB2 TYR 77 3.680 49.818 19.454 546 HB3 TYR 77 HB3 TYR 77 3.405 48.097 19.699 547 HD1 TYR 77 HD1 TYR 77 5.545 46.699 20.310 548 HD2 TYR 77 HD2 TYR 77 5.208 50.912 20.806 549 HE1 TYR 77 HE1 TYR 77 7.356 46.642 21.972 550 HE2 TYR 77 HE2 TYR 77 7.019 50.866 22.470 551 HH TYR 77 HH TYR 77 9.155 48.639 22.804 552 H ARG 78 H ARG 78 4.679 50.728 16.679 553 HA ARG 78 HA ARG 78 7.601 51.008 16.941 554 HB2 ARG 78 HB2 ARG 78 7.406 52.388 14.818 555 HB3 ARG 78 HB3 ARG 78 7.146 50.657 14.647 556 HG2 ARG 78 HG2 ARG 78 4.762 52.349 15.118 557 HG3 ARG 78 HG3 ARG 78 5.546 52.458 13.541 558 HD2 ARG 78 HD2 ARG 78 5.020 49.756 14.659 559 HD3 ARG 78 HD3 ARG 78 3.649 50.679 14.046 560 HE ARG 78 HE ARG 78 5.699 49.419 12.506 561 HH11 ARG 78 HH11 ARG 78 3.463 52.086 12.575 562 HH12 ARG 78 HH12 ARG 78 3.383 52.233 10.850 563 HH21 ARG 78 HH21 ARG 78 5.603 49.602 10.235 564 HH22 ARG 78 HH22 ARG 78 4.600 50.819 9.520 Start of MODEL 4 1 H1 GLY 1 H GLY 1 0.018 -4.275 4.547 2 HA2 GLY 1 HA2 GLY 1 0.968 -6.656 3.384 3 HA3 GLY 1 HA3 GLY 1 -0.419 -6.096 2.462 4 H ASP 2 H ASP 2 -0.275 -4.185 1.270 5 HA ASP 2 HA ASP 2 2.479 -3.212 0.884 6 HB2 ASP 2 HB2 ASP 2 0.209 -3.214 -1.116 7 HB3 ASP 2 HB3 ASP 2 1.866 -2.700 -1.420 8 H CYS 3 H CYS 3 2.563 -1.448 2.185 9 HA CYS 3 HA CYS 3 1.327 0.942 1.318 10 HB2 CYS 3 HB2 CYS 3 -0.169 1.417 3.120 11 HB3 CYS 3 HB3 CYS 3 -0.599 -0.175 2.503 12 H ALA 4 H ALA 4 1.793 2.779 2.871 13 HA ALA 4 HA ALA 4 4.491 2.410 3.908 14 HB1 ALA 4 HB1 ALA 4 4.028 4.295 2.403 15 HB2 ALA 4 HB2 ALA 4 2.887 4.943 3.582 16 HB3 ALA 4 HB3 ALA 4 4.601 4.833 3.982 17 H LYS 5 H LYS 5 4.845 2.016 5.982 18 HA LYS 5 HA LYS 5 2.822 2.022 7.944 19 HB2 LYS 5 HB2 LYS 5 5.774 1.635 7.927 20 HB3 LYS 5 HB3 LYS 5 5.011 1.981 9.473 21 HG2 LYS 5 HG2 LYS 5 3.851 -0.153 7.756 22 HG3 LYS 5 HG3 LYS 5 5.344 -0.482 8.641 23 HD2 LYS 5 HD2 LYS 5 3.849 -1.120 10.234 24 HD3 LYS 5 HD3 LYS 5 3.937 0.599 10.626 25 HE2 LYS 5 HE2 LYS 5 1.867 1.044 9.741 26 HE3 LYS 5 HE3 LYS 5 1.943 -0.305 8.607 27 HZ1 LYS 5 HZ1 LYS 5 0.817 -0.216 11.212 28 HZ2 LYS 5 HZ2 LYS 5 1.979 -1.441 11.113 29 HZ3 LYS 5 HZ3 LYS 5 0.680 -1.418 10.029 30 H GLU 6 H GLU 6 3.306 3.192 10.143 31 HA GLU 6 HA GLU 6 2.812 5.922 9.757 32 HB2 GLU 6 HB2 GLU 6 2.099 4.694 11.761 33 HB3 GLU 6 HB3 GLU 6 3.778 4.511 12.250 34 HG2 GLU 6 HG2 GLU 6 4.008 6.787 12.731 35 HG3 GLU 6 HG3 GLU 6 2.549 7.211 11.837 36 H GLY 7 H GLY 7 4.171 7.445 9.104 37 HA2 GLY 7 HA2 GLY 7 6.063 8.844 9.511 38 HA3 GLY 7 HA3 GLY 7 6.902 7.456 10.189 39 H GLU 8 H GLU 8 6.054 5.733 7.929 40 HA GLU 8 HA GLU 8 8.313 5.989 6.317 41 HB2 GLU 8 HB2 GLU 8 5.708 4.534 5.979 42 HB3 GLU 8 HB3 GLU 8 6.911 4.522 4.697 43 HG2 GLU 8 HG2 GLU 8 7.345 3.574 7.520 44 HG3 GLU 8 HG3 GLU 8 7.073 2.547 6.114 45 H VAL 9 H VAL 9 8.396 6.415 3.981 46 HA VAL 9 HA VAL 9 7.090 8.923 3.379 47 HB VAL 9 HB VAL 9 8.955 7.353 1.600 48 HG11 VAL 9 HG11 VAL 9 7.850 9.045 0.364 49 HG12 VAL 9 HG12 VAL 9 8.054 10.224 1.660 50 HG13 VAL 9 HG13 VAL 9 9.454 9.672 0.740 51 HG21 VAL 9 HG21 VAL 9 10.341 7.639 3.394 52 HG22 VAL 9 HG22 VAL 9 10.585 9.186 2.584 53 HG23 VAL 9 HG23 VAL 9 9.492 9.076 3.964 54 H CYS 10 H CYS 10 5.821 9.338 1.529 55 HA CYS 10 HA CYS 10 4.430 6.958 0.492 56 HB2 CYS 10 HB2 CYS 10 2.453 8.282 0.257 57 HB3 CYS 10 HB3 CYS 10 3.086 8.581 1.873 58 H SER 11 H SER 11 4.077 6.738 -1.690 59 HA SER 11 HA SER 11 4.922 8.844 -3.507 60 HB2 SER 11 HB2 SER 11 6.433 7.307 -4.756 61 HB3 SER 11 HB3 SER 11 7.015 7.670 -3.132 62 HG SER 11 HG SER 11 6.895 5.629 -2.686 63 H TRP 12 H TRP 12 4.785 7.793 -5.879 64 HA TRP 12 HA TRP 12 2.086 7.311 -6.360 65 HB2 TRP 12 HB2 TRP 12 3.864 8.106 -8.005 66 HB3 TRP 12 HB3 TRP 12 4.308 6.412 -8.193 67 HD1 TRP 12 HD1 TRP 12 1.741 8.956 -9.276 68 HE1 TRP 12 HE1 TRP 12 0.125 7.876 -10.962 69 HE3 TRP 12 HE3 TRP 12 3.173 4.076 -8.759 70 HZ2 TRP 12 HZ2 TRP 12 -0.466 5.296 -11.943 71 HZ3 TRP 12 HZ3 TRP 12 2.032 2.363 -10.107 72 HH2 TRP 12 HH2 TRP 12 0.250 2.962 -11.665 73 H GLY 13 H GLY 13 4.746 5.070 -5.837 74 HA2 GLY 13 HA2 GLY 13 3.001 2.782 -6.361 75 HA3 GLY 13 HA3 GLY 13 4.733 2.721 -6.071 76 H LYS 14 H LYS 14 4.364 4.537 -3.700 77 HA LYS 14 HA LYS 14 3.533 2.430 -1.830 78 HB2 LYS 14 HB2 LYS 14 5.881 3.643 -1.847 79 HB3 LYS 14 HB3 LYS 14 5.005 4.876 -0.948 80 HG2 LYS 14 HG2 LYS 14 5.608 3.674 0.839 81 HG3 LYS 14 HG3 LYS 14 4.253 2.639 0.382 82 HD2 LYS 14 HD2 LYS 14 7.117 2.246 -0.484 83 HD3 LYS 14 HD3 LYS 14 6.314 1.358 0.813 84 HE2 LYS 14 HE2 LYS 14 4.686 0.490 -0.796 85 HE3 LYS 14 HE3 LYS 14 5.489 1.379 -2.090 86 HZ1 LYS 14 HZ1 LYS 14 7.551 0.053 -1.281 87 HZ2 LYS 14 HZ2 LYS 14 6.420 -0.689 -2.296 88 HZ3 LYS 14 HZ3 LYS 14 6.400 -1.005 -0.634 89 H LYS 15 H LYS 15 1.451 2.661 -1.300 90 HA LYS 15 HA LYS 15 0.435 5.364 -0.737 91 HB2 LYS 15 HB2 LYS 15 -0.976 2.813 -1.513 92 HB3 LYS 15 HB3 LYS 15 -1.832 4.230 -0.921 93 HG2 LYS 15 HG2 LYS 15 0.032 4.481 -3.239 94 HG3 LYS 15 HG3 LYS 15 -1.593 3.832 -3.472 95 HD2 LYS 15 HD2 LYS 15 -2.017 6.050 -3.815 96 HD3 LYS 15 HD3 LYS 15 -2.257 5.976 -2.068 97 HE2 LYS 15 HE2 LYS 15 -0.260 7.036 -1.616 98 HE3 LYS 15 HE3 LYS 15 0.463 6.555 -3.151 99 HZ1 LYS 15 HZ1 LYS 15 -1.413 8.088 -4.097 100 HZ2 LYS 15 HZ2 LYS 15 0.045 8.746 -3.548 101 HZ3 LYS 15 HZ3 LYS 15 -1.330 8.797 -2.563 102 H CYS 16 H CYS 16 0.109 5.913 1.309 103 HA CYS 16 HA CYS 16 0.700 4.344 3.501 104 HB2 CYS 16 HB2 CYS 16 0.131 6.943 3.195 105 HB3 CYS 16 HB3 CYS 16 -1.412 6.408 3.853 106 H CYS 17 H CYS 17 -0.489 3.153 4.978 107 HA CYS 17 HA CYS 17 -2.628 1.633 3.951 108 HB2 CYS 17 HB2 CYS 17 -1.089 1.764 6.437 109 HB3 CYS 17 HB3 CYS 17 -2.765 1.286 6.686 110 H ASP 18 H ASP 18 -2.539 4.244 6.356 111 HA ASP 18 HA ASP 18 -5.471 4.434 6.153 112 HB2 ASP 18 HB2 ASP 18 -3.558 4.864 8.389 113 HB3 ASP 18 HB3 ASP 18 -4.966 5.921 8.321 114 H LEU 19 H LEU 19 -5.132 5.633 4.141 115 HA LEU 19 HA LEU 19 -3.754 8.077 4.010 116 HB2 LEU 19 HB2 LEU 19 -6.158 7.157 2.439 117 HB3 LEU 19 HB3 LEU 19 -5.124 8.521 2.017 118 HG LEU 19 HG LEU 19 -4.188 5.657 2.154 119 HD11 LEU 19 HD11 LEU 19 -4.219 6.797 -0.477 120 HD12 LEU 19 HD12 LEU 19 -5.836 6.847 0.225 121 HD13 LEU 19 HD13 LEU 19 -4.972 5.314 0.110 122 HD21 LEU 19 HD21 LEU 19 -2.173 6.406 1.237 123 HD22 LEU 19 HD22 LEU 19 -2.551 7.599 2.480 124 HD23 LEU 19 HD23 LEU 19 -2.853 7.968 0.781 125 H ASP 20 H ASP 20 -7.016 7.272 5.030 126 HA ASP 20 HA ASP 20 -8.157 9.810 5.060 127 HB2 ASP 20 HB2 ASP 20 -8.639 7.555 7.019 128 HB3 ASP 20 HB3 ASP 20 -9.715 8.919 6.730 129 H ASN 21 H ASN 21 -6.015 8.250 7.368 130 HA ASN 21 HA ASN 21 -6.202 10.514 9.195 131 HB2 ASN 21 HB2 ASN 21 -5.011 7.772 9.343 132 HB3 ASN 21 HB3 ASN 21 -4.418 9.022 10.432 133 HD21 ASN 21 HD21 ASN 21 -6.128 6.499 10.678 134 HD22 ASN 21 HD22 ASN 21 -7.462 7.012 11.649 135 H PHE 22 H PHE 22 -3.620 8.727 7.503 136 HA PHE 22 HA PHE 22 -1.847 11.025 7.818 137 HB2 PHE 22 HB2 PHE 22 -1.140 8.398 6.520 138 HB3 PHE 22 HB3 PHE 22 -0.058 9.580 7.250 139 HD1 PHE 22 HD1 PHE 22 -2.171 6.710 7.811 140 HD2 PHE 22 HD2 PHE 22 0.006 9.832 9.716 141 HE1 PHE 22 HE1 PHE 22 -2.255 5.469 9.934 142 HE2 PHE 22 HE2 PHE 22 -0.074 8.595 11.842 143 HZ PHE 22 HZ PHE 22 -1.207 6.411 11.953 144 H TYR 23 H TYR 23 -1.187 12.306 6.178 145 HA TYR 23 HA TYR 23 -2.054 11.610 3.453 146 HB2 TYR 23 HB2 TYR 23 -2.511 14.063 3.109 147 HB3 TYR 23 HB3 TYR 23 -3.625 13.251 4.203 148 HD1 TYR 23 HD1 TYR 23 -1.219 15.905 3.829 149 HD2 TYR 23 HD2 TYR 23 -3.333 13.565 6.686 150 HE1 TYR 23 HE1 TYR 23 -0.737 17.588 5.556 151 HE2 TYR 23 HE2 TYR 23 -2.858 15.242 8.420 152 HH TYR 23 HH TYR 23 -0.828 17.118 8.658 153 H CYS 24 H CYS 24 -0.975 13.260 1.855 154 HA CYS 24 HA CYS 24 1.884 13.342 2.548 155 HB2 CYS 24 HB2 CYS 24 0.588 13.223 -0.184 156 HB3 CYS 24 HB3 CYS 24 2.320 13.225 0.134 157 HA PRO 25 HA PRO 25 0.730 17.775 2.374 158 HB2 PRO 25 HB2 PRO 25 2.590 18.541 4.197 159 HB3 PRO 25 HB3 PRO 25 1.001 17.916 4.651 160 HG2 PRO 25 HG2 PRO 25 3.637 16.501 4.557 161 HG3 PRO 25 HG3 PRO 25 2.366 16.419 5.792 162 HD2 PRO 25 HD2 PRO 25 2.682 14.510 3.898 163 HD3 PRO 25 HD3 PRO 25 1.094 14.940 4.564 164 H MET 26 H MET 26 1.921 19.602 1.619 165 HA MET 26 HA MET 26 3.923 18.949 -0.296 166 HB2 MET 26 HB2 MET 26 2.162 20.852 -0.339 167 HB3 MET 26 HB3 MET 26 3.334 21.749 0.617 168 HG2 MET 26 HG2 MET 26 3.652 22.368 -1.641 169 HG3 MET 26 HG3 MET 26 5.004 21.332 -1.191 170 HE1 MET 26 HE1 MET 26 1.244 19.840 -2.489 171 HE2 MET 26 HE2 MET 26 1.580 21.569 -2.580 172 HE3 MET 26 HE3 MET 26 1.586 20.590 -4.048 173 H GLU 27 H GLU 27 5.855 18.288 0.456 174 HA GLU 27 HA GLU 27 7.569 20.198 1.720 175 HB2 GLU 27 HB2 GLU 27 8.099 18.838 3.709 176 HB3 GLU 27 HB3 GLU 27 6.437 19.410 3.716 177 HG2 GLU 27 HG2 GLU 27 5.812 17.150 2.748 178 HG3 GLU 27 HG3 GLU 27 7.447 16.641 3.166 179 H PHE 28 H PHE 28 9.774 19.211 2.151 180 HA PHE 28 HA PHE 28 10.808 18.088 -0.144 181 HB2 PHE 28 HB2 PHE 28 11.829 18.098 2.691 182 HB3 PHE 28 HB3 PHE 28 12.760 17.396 1.371 183 HD1 PHE 28 HD1 PHE 28 12.534 20.178 3.311 184 HD2 PHE 28 HD2 PHE 28 12.696 19.097 -0.803 185 HE1 PHE 28 HE1 PHE 28 13.427 22.404 2.765 186 HE2 PHE 28 HE2 PHE 28 13.590 21.322 -1.355 187 HZ PHE 28 HZ PHE 28 13.955 22.979 0.429 188 H ILE 29 H ILE 29 10.223 16.378 2.932 189 HA ILE 29 HA ILE 29 9.917 13.895 1.373 190 HB ILE 29 HB ILE 29 10.988 13.997 4.188 191 HG12 ILE 29 HG12 ILE 29 13.147 13.302 2.733 192 HG13 ILE 29 HG13 ILE 29 12.362 14.381 1.586 193 HG21 ILE 29 HG21 ILE 29 11.562 11.727 3.866 194 HG22 ILE 29 HG22 ILE 29 9.911 11.903 3.272 195 HG23 ILE 29 HG23 ILE 29 11.254 11.819 2.132 196 HD11 ILE 29 HD11 ILE 29 13.587 15.926 2.663 197 HD12 ILE 29 HD12 ILE 29 12.232 15.894 3.792 198 HD13 ILE 29 HD13 ILE 29 13.693 14.971 4.142 199 HA PRO 30 HA PRO 30 5.897 14.342 3.398 200 HB2 PRO 30 HB2 PRO 30 4.638 12.589 1.750 201 HB3 PRO 30 HB3 PRO 30 4.947 14.273 1.307 202 HG2 PRO 30 HG2 PRO 30 6.467 11.807 0.553 203 HG3 PRO 30 HG3 PRO 30 6.005 13.189 -0.457 204 HD2 PRO 30 HD2 PRO 30 8.494 12.904 0.571 205 HD3 PRO 30 HD3 PRO 30 7.745 14.492 0.310 206 H HIS 31 H HIS 31 5.510 13.288 5.233 207 HA HIS 31 HA HIS 31 6.031 10.389 5.332 208 HB2 HIS 31 HB2 HIS 31 6.106 12.291 7.678 209 HB3 HIS 31 HB3 HIS 31 6.604 10.602 7.658 210 HD1 HIS 31 HD1 HIS 31 8.011 13.848 7.612 211 HD2 HIS 31 HD2 HIS 31 8.869 10.291 5.643 212 HE1 HIS 31 HE1 HIS 31 10.388 14.072 6.823 213 H CYS 32 H CYS 32 4.586 9.089 6.537 214 HA CYS 32 HA CYS 32 1.859 9.890 6.319 215 HB2 CYS 32 HB2 CYS 32 3.251 7.448 7.385 216 HB3 CYS 32 HB3 CYS 32 1.514 7.655 7.589 217 H LYS 33 H LYS 33 1.857 11.780 7.674 218 HA LYS 33 HA LYS 33 1.787 11.149 10.553 219 HB2 LYS 33 HB2 LYS 33 3.471 12.897 9.517 220 HB3 LYS 33 HB3 LYS 33 2.067 13.954 9.559 221 HG2 LYS 33 HG2 LYS 33 1.846 13.536 11.971 222 HG3 LYS 33 HG3 LYS 33 3.295 12.529 11.911 223 HD2 LYS 33 HD2 LYS 33 3.169 15.451 11.164 224 HD3 LYS 33 HD3 LYS 33 3.769 14.816 12.698 225 HE2 LYS 33 HE2 LYS 33 5.367 13.418 11.229 226 HE3 LYS 33 HE3 LYS 33 4.952 14.564 9.955 227 HZ1 LYS 33 HZ1 LYS 33 6.437 15.018 12.448 228 HZ2 LYS 33 HZ2 LYS 33 5.561 16.298 11.773 229 HZ3 LYS 33 HZ3 LYS 33 6.785 15.547 10.879 230 H LYS 34 H LYS 34 -0.073 11.436 11.615 231 HA LYS 34 HA LYS 34 -2.474 11.966 10.232 232 HB2 LYS 34 HB2 LYS 34 -3.550 11.850 12.415 233 HB3 LYS 34 HB3 LYS 34 -2.364 10.563 12.249 234 HG2 LYS 34 HG2 LYS 34 -0.799 12.327 13.432 235 HG3 LYS 34 HG3 LYS 34 -2.345 12.949 14.014 236 HD2 LYS 34 HD2 LYS 34 -1.845 11.440 15.670 237 HD3 LYS 34 HD3 LYS 34 -2.785 10.421 14.578 238 HE2 LYS 34 HE2 LYS 34 -0.958 9.233 13.896 239 HE3 LYS 34 HE3 LYS 34 0.148 10.583 14.144 240 HZ1 LYS 34 HZ1 LYS 34 -0.649 10.060 16.649 241 HZ2 LYS 34 HZ2 LYS 34 0.752 9.425 15.946 242 HZ3 LYS 34 HZ3 LYS 34 -0.668 8.506 15.980 243 H TYR 35 H TYR 35 -3.965 13.703 10.514 244 HA TYR 35 HA TYR 35 -2.937 16.237 10.164 245 HB2 TYR 35 HB2 TYR 35 -5.627 15.199 10.951 246 HB3 TYR 35 HB3 TYR 35 -5.334 16.933 11.026 247 HD1 TYR 35 HD1 TYR 35 -6.230 14.201 8.933 248 HD2 TYR 35 HD2 TYR 35 -4.431 18.056 8.885 249 HE1 TYR 35 HE1 TYR 35 -6.675 14.372 6.520 250 HE2 TYR 35 HE2 TYR 35 -4.872 18.239 6.472 251 HH TYR 35 HH TYR 35 -6.206 17.334 4.771 252 H LYS 36 H LYS 36 -2.918 18.119 11.492 253 HA LYS 36 HA LYS 36 -1.662 17.848 13.939 254 HB2 LYS 36 HB2 LYS 36 -3.121 20.093 12.607 255 HB3 LYS 36 HB3 LYS 36 -2.613 20.284 14.280 256 HG2 LYS 36 HG2 LYS 36 -0.327 20.028 13.707 257 HG3 LYS 36 HG3 LYS 36 -0.730 19.499 12.072 258 HD2 LYS 36 HD2 LYS 36 0.007 21.785 11.983 259 HD3 LYS 36 HD3 LYS 36 -1.727 21.738 11.655 260 HE2 LYS 36 HE2 LYS 36 -2.269 22.702 13.673 261 HE3 LYS 36 HE3 LYS 36 -0.791 22.147 14.456 262 HZ1 LYS 36 HZ1 LYS 36 -1.298 24.634 13.281 263 HZ2 LYS 36 HZ2 LYS 36 -0.086 23.878 12.375 264 HZ3 LYS 36 HZ3 LYS 36 0.119 24.105 14.039 265 HA PRO 37 HA PRO 37 -4.710 17.041 16.990 266 HB2 PRO 37 HB2 PRO 37 -3.883 18.589 19.061 267 HB3 PRO 37 HB3 PRO 37 -3.029 17.127 18.554 268 HG2 PRO 37 HG2 PRO 37 -2.416 19.990 17.931 269 HG3 PRO 37 HG3 PRO 37 -1.308 18.681 18.382 270 HD2 PRO 37 HD2 PRO 37 -1.640 19.492 15.820 271 HD3 PRO 37 HD3 PRO 37 -1.270 17.809 16.249 272 H TYR 38 H TYR 38 -6.396 18.005 18.361 273 HA TYR 38 HA TYR 38 -7.969 19.850 17.029 274 HB2 TYR 38 HB2 TYR 38 -7.925 18.911 19.883 275 HB3 TYR 38 HB3 TYR 38 -9.078 20.132 19.357 276 HD1 TYR 38 HD1 TYR 38 -8.935 16.857 20.120 277 HD2 TYR 38 HD2 TYR 38 -10.056 19.318 16.835 278 HE1 TYR 38 HE1 TYR 38 -10.434 15.083 19.310 279 HE2 TYR 38 HE2 TYR 38 -11.559 17.551 16.017 280 HH TYR 38 HH TYR 38 -12.225 15.436 16.271 281 H VAL 39 H VAL 39 -8.403 22.035 17.280 282 HA VAL 39 HA VAL 39 -6.164 23.634 18.143 283 HB VAL 39 HB VAL 39 -8.847 24.508 17.062 284 HG11 VAL 39 HG11 VAL 39 -7.799 26.645 16.649 285 HG12 VAL 39 HG12 VAL 39 -7.652 26.239 18.360 286 HG13 VAL 39 HG13 VAL 39 -6.266 26.052 17.286 287 HG21 VAL 39 HG21 VAL 39 -6.331 23.613 15.777 288 HG22 VAL 39 HG22 VAL 39 -8.002 23.444 15.237 289 HG23 VAL 39 HG23 VAL 39 -7.166 24.986 15.051 290 HA PRO 40 HA PRO 40 -7.666 24.377 22.237 291 HB2 PRO 40 HB2 PRO 40 -6.024 26.453 22.839 292 HB3 PRO 40 HB3 PRO 40 -5.473 24.774 22.794 293 HG2 PRO 40 HG2 PRO 40 -5.197 26.915 20.720 294 HG3 PRO 40 HG3 PRO 40 -4.001 25.725 21.265 295 HD2 PRO 40 HD2 PRO 40 -5.416 25.424 18.976 296 HD3 PRO 40 HD3 PRO 40 -4.893 24.045 19.964 297 H VAL 41 H VAL 41 -8.827 25.954 23.430 298 HA VAL 41 HA VAL 41 -10.644 27.491 21.996 299 HB VAL 41 HB VAL 41 -9.807 27.979 24.856 300 HG11 VAL 41 HG11 VAL 41 -11.210 29.722 24.472 301 HG12 VAL 41 HG12 VAL 41 -12.045 28.904 23.150 302 HG13 VAL 41 HG13 VAL 41 -12.423 28.491 24.823 303 HG21 VAL 41 HG21 VAL 41 -11.667 25.952 23.648 304 HG22 VAL 41 HG22 VAL 41 -10.328 25.688 24.765 305 HG23 VAL 41 HG23 VAL 41 -11.806 26.468 25.329 306 H THR 42 H THR 42 -10.871 29.704 21.632 307 HA THR 42 HA THR 42 -8.561 31.099 20.886 308 HB THR 42 HB THR 42 -10.125 33.125 20.821 309 HG1 THR 42 HG1 THR 42 -12.417 32.287 20.869 310 HG21 THR 42 HG21 THR 42 -11.637 31.439 19.147 311 HG22 THR 42 HG22 THR 42 -10.007 30.767 19.190 312 HG23 THR 42 HG23 THR 42 -10.257 32.443 18.704 313 H THR 43 H THR 43 -7.682 33.074 21.727 314 HA THR 43 HA THR 43 -7.183 32.980 24.511 315 HB THR 43 HB THR 43 -6.654 35.498 23.008 316 HG1 THR 43 HG1 THR 43 -5.262 34.575 21.651 317 HG21 THR 43 HG21 THR 43 -5.607 34.051 25.296 318 HG22 THR 43 HG22 THR 43 -5.410 35.746 24.849 319 HG23 THR 43 HG23 THR 43 -4.333 34.524 24.174 320 H SER 44 H SER 44 -7.511 34.823 26.006 321 HA SER 44 HA SER 44 -10.287 35.586 26.009 322 HB2 SER 44 HB2 SER 44 -8.770 34.922 28.032 323 HB3 SER 44 HB3 SER 44 -8.282 36.616 27.991 324 HG SER 44 HG SER 44 -10.020 36.516 29.336 325 H PHE 45 H PHE 45 -11.016 37.797 26.337 326 HA PHE 45 HA PHE 45 -9.748 39.589 24.479 327 HB2 PHE 45 HB2 PHE 45 -12.225 39.800 26.189 328 HB3 PHE 45 HB3 PHE 45 -11.662 41.121 25.171 329 HD1 PHE 45 HD1 PHE 45 -12.665 37.546 25.045 330 HD2 PHE 45 HD2 PHE 45 -12.292 41.228 22.943 331 HE1 PHE 45 HE1 PHE 45 -13.853 36.567 23.126 332 HE2 PHE 45 HE2 PHE 45 -13.481 40.255 21.021 333 HZ PHE 45 HZ PHE 45 -14.262 37.921 21.110 334 H ASN 46 H ASN 46 -9.277 41.855 25.017 335 HA ASN 46 HA ASN 46 -8.763 42.544 27.762 336 HB2 ASN 46 HB2 ASN 46 -6.797 41.158 27.295 337 HB3 ASN 46 HB3 ASN 46 -6.433 42.134 25.874 338 HD21 ASN 46 HD21 ASN 46 -7.121 42.605 29.326 339 HD22 ASN 46 HD22 ASN 46 -5.870 43.767 29.588 340 H CYS 47 H CYS 47 -8.475 44.736 28.063 341 HA CYS 47 HA CYS 47 -9.473 46.453 26.071 342 HB2 CYS 47 HB2 CYS 47 -8.768 48.283 27.621 343 HB3 CYS 47 HB3 CYS 47 -9.733 47.030 28.395 344 H ALA 48 H ALA 48 -8.382 48.314 25.116 345 HA ALA 48 HA ALA 48 -5.890 47.538 23.914 346 HB1 ALA 48 HB1 ALA 48 -7.352 48.608 22.440 347 HB2 ALA 48 HB2 ALA 48 -7.715 49.896 23.590 348 HB3 ALA 48 HB3 ALA 48 -6.137 49.834 22.804 349 H LYS 49 H LYS 49 -4.010 47.805 24.912 350 HA LYS 49 HA LYS 49 -3.660 49.677 27.055 351 HB2 LYS 49 HB2 LYS 49 -1.435 48.787 27.243 352 HB3 LYS 49 HB3 LYS 49 -2.540 47.449 26.961 353 HG2 LYS 49 HG2 LYS 49 -1.858 47.270 24.681 354 HG3 LYS 49 HG3 LYS 49 -0.911 48.756 24.796 355 HD2 LYS 49 HD2 LYS 49 0.709 47.748 26.162 356 HD3 LYS 49 HD3 LYS 49 -0.344 46.385 26.551 357 HE2 LYS 49 HE2 LYS 49 -0.202 45.636 24.214 358 HE3 LYS 49 HE3 LYS 49 0.881 46.980 23.858 359 HZ1 LYS 49 HZ1 LYS 49 2.468 46.077 25.435 360 HZ2 LYS 49 HZ2 LYS 49 2.102 44.932 24.245 361 HZ3 LYS 49 HZ3 LYS 49 1.428 44.791 25.789 362 H GLU 50 H GLU 50 -1.730 51.169 27.068 363 HA GLU 50 HA GLU 50 -2.019 53.194 25.219 364 HB2 GLU 50 HB2 GLU 50 -0.885 53.418 27.414 365 HB3 GLU 50 HB3 GLU 50 0.494 52.539 26.767 366 HG2 GLU 50 HG2 GLU 50 1.034 54.281 25.276 367 HG3 GLU 50 HG3 GLU 50 -0.510 55.088 25.543 368 H GLY 51 H GLY 51 -1.366 53.535 23.191 369 HA2 GLY 51 HA2 GLY 51 0.294 53.468 21.464 370 HA3 GLY 51 HA3 GLY 51 0.894 51.965 22.150 371 H GLU 52 H GLU 52 -1.835 50.877 22.451 372 HA GLU 52 HA GLU 52 -2.009 49.534 19.981 373 HB2 GLU 52 HB2 GLU 52 -4.126 49.766 22.127 374 HB3 GLU 52 HB3 GLU 52 -4.061 48.548 20.861 375 HG2 GLU 52 HG2 GLU 52 -1.944 48.897 22.969 376 HG3 GLU 52 HG3 GLU 52 -3.294 47.770 23.095 377 H VAL 53 H VAL 53 -3.761 49.540 18.450 378 HA VAL 53 HA VAL 53 -4.671 52.244 17.874 379 HB VAL 53 HB VAL 53 -5.051 49.762 16.198 380 HG11 VAL 53 HG11 VAL 53 -4.990 51.735 14.430 381 HG12 VAL 53 HG12 VAL 53 -6.480 51.267 15.251 382 HG13 VAL 53 HG13 VAL 53 -5.562 52.663 15.816 383 HG21 VAL 53 HG21 VAL 53 -2.661 51.270 16.763 384 HG22 VAL 53 HG22 VAL 53 -2.857 49.791 15.824 385 HG23 VAL 53 HG23 VAL 53 -3.072 51.361 15.051 386 H CYS 54 H CYS 54 -6.838 52.799 17.490 387 HA CYS 54 HA CYS 54 -8.798 50.952 18.688 388 HB2 CYS 54 HB2 CYS 54 -8.964 53.970 18.641 389 HB3 CYS 54 HB3 CYS 54 -10.027 52.862 19.501 390 H GLY 55 H GLY 55 -10.771 50.672 17.686 391 HA2 GLY 55 HA2 GLY 55 -12.111 52.054 15.828 392 HA3 GLY 55 HA3 GLY 55 -10.818 51.358 14.862 393 H TRP 56 H TRP 56 -10.696 48.891 16.393 394 HA TRP 56 HA TRP 56 -12.967 47.564 15.140 395 HB2 TRP 56 HB2 TRP 56 -10.481 46.442 16.451 396 HB3 TRP 56 HB3 TRP 56 -11.726 45.477 15.663 397 HD1 TRP 56 HD1 TRP 56 -11.927 45.726 12.959 398 HE1 TRP 56 HE1 TRP 56 -10.156 46.362 11.204 399 HE3 TRP 56 HE3 TRP 56 -8.452 47.852 16.047 400 HZ2 TRP 56 HZ2 TRP 56 -7.620 47.600 11.137 401 HZ3 TRP 56 HZ3 TRP 56 -6.381 48.738 15.058 402 HH2 TRP 56 HH2 TRP 56 -5.975 48.613 12.654 403 H GLY 57 H GLY 57 -13.808 49.055 17.261 404 HA2 GLY 57 HA2 GLY 57 -15.126 48.884 19.134 405 HA3 GLY 57 HA3 GLY 57 -15.162 47.151 18.844 406 H SER 58 H SER 58 -12.221 48.984 19.387 407 HA SER 58 HA SER 58 -11.852 47.492 21.898 408 HB2 SER 58 HB2 SER 58 -10.024 48.252 19.694 409 HB3 SER 58 HB3 SER 58 -9.358 48.365 21.323 410 HG SER 58 HG SER 58 -9.013 46.295 20.537 411 H LYS 59 H LYS 59 -12.107 48.646 23.679 412 HA LYS 59 HA LYS 59 -11.717 51.549 23.581 413 HB2 LYS 59 HB2 LYS 59 -12.919 49.982 25.858 414 HB3 LYS 59 HB3 LYS 59 -13.087 51.699 25.515 415 HG2 LYS 59 HG2 LYS 59 -14.197 49.492 23.795 416 HG3 LYS 59 HG3 LYS 59 -15.115 50.395 25.002 417 HD2 LYS 59 HD2 LYS 59 -13.635 51.931 22.930 418 HD3 LYS 59 HD3 LYS 59 -15.109 51.089 22.446 419 HE2 LYS 59 HE2 LYS 59 -15.060 52.848 24.872 420 HE3 LYS 59 HE3 LYS 59 -15.279 53.533 23.263 421 HZ1 LYS 59 HZ1 LYS 59 -16.978 51.343 24.306 422 HZ2 LYS 59 HZ2 LYS 59 -17.261 52.330 22.962 423 HZ3 LYS 59 HZ3 LYS 59 -17.365 52.976 24.522 424 H CYS 60 H CYS 60 -10.136 52.559 24.675 425 HA CYS 60 HA CYS 60 -7.893 51.181 25.597 426 HB2 CYS 60 HB2 CYS 60 -8.788 53.999 26.242 427 HB3 CYS 60 HB3 CYS 60 -7.174 53.361 26.536 428 H CYS 61 H CYS 61 -7.031 50.894 27.695 429 HA CYS 61 HA CYS 61 -8.889 49.965 29.609 430 HB2 CYS 61 HB2 CYS 61 -5.984 50.627 30.110 431 HB3 CYS 61 HB3 CYS 61 -6.987 49.479 30.992 432 H HIS 62 H HIS 62 -8.839 50.690 31.939 433 HA HIS 62 HA HIS 62 -9.879 53.233 32.214 434 HB2 HIS 62 HB2 HIS 62 -9.307 52.938 34.688 435 HB3 HIS 62 HB3 HIS 62 -10.318 51.697 33.953 436 HD1 HIS 62 HD1 HIS 62 -9.525 49.342 34.164 437 HD2 HIS 62 HD2 HIS 62 -6.524 52.095 34.987 438 HE1 HIS 62 HE1 HIS 62 -7.580 47.986 35.000 439 H GLY 63 H GLY 63 -9.055 55.224 32.327 440 HA2 GLY 63 HA2 GLY 63 -7.479 56.845 33.045 441 HA3 GLY 63 HA3 GLY 63 -6.264 55.579 33.147 442 H LEU 64 H LEU 64 -7.177 54.604 30.428 443 HA LEU 64 HA LEU 64 -5.578 56.524 28.890 444 HB2 LEU 64 HB2 LEU 64 -6.280 53.648 28.326 445 HB3 LEU 64 HB3 LEU 64 -5.311 54.675 27.272 446 HG LEU 64 HG LEU 64 -4.464 54.134 30.098 447 HD11 LEU 64 HD11 LEU 64 -4.153 52.361 27.698 448 HD12 LEU 64 HD12 LEU 64 -4.689 51.939 29.324 449 HD13 LEU 64 HD13 LEU 64 -2.997 52.338 29.029 450 HD21 LEU 64 HD21 LEU 64 -3.034 55.713 29.331 451 HD22 LEU 64 HD22 LEU 64 -3.294 55.288 27.639 452 HD23 LEU 64 HD23 LEU 64 -2.228 54.304 28.643 453 H ASP 65 H ASP 65 -6.193 56.909 26.633 454 HA ASP 65 HA ASP 65 -8.944 56.406 25.889 455 HB2 ASP 65 HB2 ASP 65 -8.796 58.544 27.372 456 HB3 ASP 65 HB3 ASP 65 -8.096 59.285 25.936 457 H CYS 66 H CYS 66 -9.421 57.135 23.685 458 HA CYS 66 HA CYS 66 -6.970 57.309 22.057 459 HB2 CYS 66 HB2 CYS 66 -9.117 55.432 21.977 460 HB3 CYS 66 HB3 CYS 66 -9.160 56.375 20.492 461 HA PRO 67 HA PRO 67 -8.534 61.217 20.694 462 HB2 PRO 67 HB2 PRO 67 -6.819 61.566 18.619 463 HB3 PRO 67 HB3 PRO 67 -6.339 61.775 20.307 464 HG2 PRO 67 HG2 PRO 67 -5.924 59.427 18.496 465 HG3 PRO 67 HG3 PRO 67 -4.793 60.171 19.641 466 HD2 PRO 67 HD2 PRO 67 -6.165 57.907 20.211 467 HD3 PRO 67 HD3 PRO 67 -5.725 59.095 21.454 468 H LEU 68 H LEU 68 -9.383 62.217 18.699 469 HA LEU 68 HA LEU 68 -10.799 60.221 17.096 470 HB2 LEU 68 HB2 LEU 68 -11.276 63.073 17.812 471 HB3 LEU 68 HB3 LEU 68 -11.980 62.444 16.323 472 HG LEU 68 HG LEU 68 -13.600 62.380 18.122 473 HD11 LEU 68 HD11 LEU 68 -14.446 60.437 17.420 474 HD12 LEU 68 HD12 LEU 68 -13.061 59.515 18.005 475 HD13 LEU 68 HD13 LEU 68 -12.989 60.314 16.434 476 HD21 LEU 68 HD21 LEU 68 -11.584 60.650 19.549 477 HD22 LEU 68 HD22 LEU 68 -13.246 60.920 20.074 478 HD23 LEU 68 HD23 LEU 68 -12.106 62.266 20.023 479 H ALA 69 H ALA 69 -9.350 59.615 15.534 480 HA ALA 69 HA ALA 69 -8.978 61.461 13.360 481 HB1 ALA 69 HB1 ALA 69 -6.563 60.422 14.837 482 HB2 ALA 69 HB2 ALA 69 -6.522 61.242 13.275 483 HB3 ALA 69 HB3 ALA 69 -7.079 62.104 14.709 484 H PHE 70 H PHE 70 -7.248 60.219 11.770 485 HA PHE 70 HA PHE 70 -8.625 58.077 10.705 486 HB2 PHE 70 HB2 PHE 70 -5.657 58.615 10.468 487 HB3 PHE 70 HB3 PHE 70 -6.614 57.617 9.378 488 HD1 PHE 70 HD1 PHE 70 -5.202 60.761 9.817 489 HD2 PHE 70 HD2 PHE 70 -8.740 58.879 8.382 490 HE1 PHE 70 HE1 PHE 70 -5.696 62.743 8.445 491 HE2 PHE 70 HE2 PHE 70 -9.239 60.858 7.007 492 HZ PHE 70 HZ PHE 70 -7.716 62.793 7.037 493 H ILE 71 H ILE 71 -5.470 57.779 12.343 494 HA ILE 71 HA ILE 71 -6.381 55.198 13.429 495 HB ILE 71 HB ILE 71 -3.577 55.763 12.465 496 HG12 ILE 71 HG12 ILE 71 -4.523 53.769 10.865 497 HG13 ILE 71 HG13 ILE 71 -5.974 54.742 11.080 498 HG21 ILE 71 HG21 ILE 71 -4.280 52.993 12.718 499 HG22 ILE 71 HG22 ILE 71 -2.984 53.893 13.504 500 HG23 ILE 71 HG23 ILE 71 -4.588 53.838 14.235 501 HD11 ILE 71 HD11 ILE 71 -4.324 56.703 10.474 502 HD12 ILE 71 HD12 ILE 71 -3.438 55.392 9.694 503 HD13 ILE 71 HD13 ILE 71 -5.106 55.729 9.230 504 HA PRO 72 HA PRO 72 -5.016 57.872 16.919 505 HB2 PRO 72 HB2 PRO 72 -6.919 56.967 18.632 506 HB3 PRO 72 HB3 PRO 72 -7.208 58.276 17.480 507 HG2 PRO 72 HG2 PRO 72 -7.931 55.379 17.274 508 HG3 PRO 72 HG3 PRO 72 -8.897 56.806 16.854 509 HD2 PRO 72 HD2 PRO 72 -7.592 55.330 14.996 510 HD3 PRO 72 HD3 PRO 72 -7.837 57.080 14.825 511 H TYR 73 H TYR 73 -4.411 57.207 19.162 512 HA TYR 73 HA TYR 73 -3.883 54.352 19.482 513 HB2 TYR 73 HB2 TYR 73 -1.685 56.406 19.770 514 HB3 TYR 73 HB3 TYR 73 -1.534 54.659 19.915 515 HD1 TYR 73 HD1 TYR 73 -2.202 53.291 17.781 516 HD2 TYR 73 HD2 TYR 73 -1.175 57.420 17.749 517 HE1 TYR 73 HE1 TYR 73 -1.668 53.134 15.385 518 HE2 TYR 73 HE2 TYR 73 -0.640 57.275 15.353 519 HH TYR 73 HH TYR 73 -0.890 54.196 13.599 520 H CYS 74 H CYS 74 -4.139 53.691 21.525 521 HA CYS 74 HA CYS 74 -5.284 55.252 23.489 522 HB2 CYS 74 HB2 CYS 74 -3.724 52.681 23.642 523 HB3 CYS 74 HB3 CYS 74 -4.421 53.421 25.080 524 H GLU 75 H GLU 75 -4.576 56.505 25.141 525 HA GLU 75 HA GLU 75 -1.807 56.553 25.933 526 HB2 GLU 75 HB2 GLU 75 -1.313 58.809 25.307 527 HB3 GLU 75 HB3 GLU 75 -1.864 57.967 23.866 528 HG2 GLU 75 HG2 GLU 75 -4.093 58.963 24.164 529 HG3 GLU 75 HG3 GLU 75 -3.486 59.852 25.560 530 H LYS 76 H LYS 76 -1.468 57.609 27.893 531 HA LYS 76 HA LYS 76 -3.510 57.606 29.743 532 HB2 LYS 76 HB2 LYS 76 -0.932 59.180 29.737 533 HB3 LYS 76 HB3 LYS 76 -1.993 59.058 31.134 534 HG2 LYS 76 HG2 LYS 76 -0.786 56.670 29.763 535 HG3 LYS 76 HG3 LYS 76 -0.033 57.500 31.127 536 HD2 LYS 76 HD2 LYS 76 -1.856 56.962 32.562 537 HD3 LYS 76 HD3 LYS 76 -2.830 56.382 31.209 538 HE2 LYS 76 HE2 LYS 76 -2.049 54.428 32.217 539 HE3 LYS 76 HE3 LYS 76 -0.955 54.666 30.856 540 HZ1 LYS 76 HZ1 LYS 76 0.775 54.926 32.212 541 HZ2 LYS 76 HZ2 LYS 76 -0.203 54.272 33.427 542 HZ3 LYS 76 HZ3 LYS 76 -0.065 55.950 33.265 543 H TYR 77 H TYR 77 -5.264 58.817 29.937 544 HA TYR 77 HA TYR 77 -5.711 61.172 28.448 545 HB2 TYR 77 HB2 TYR 77 -7.477 59.593 29.311 546 HB3 TYR 77 HB3 TYR 77 -7.231 60.293 30.907 547 HD1 TYR 77 HD1 TYR 77 -9.034 61.618 31.466 548 HD2 TYR 77 HD2 TYR 77 -7.525 61.788 27.491 549 HE1 TYR 77 HE1 TYR 77 -10.646 63.398 30.936 550 HE2 TYR 77 HE2 TYR 77 -9.132 63.569 26.951 551 HH TYR 77 HH TYR 77 -11.774 64.222 28.588 552 H ARG 78 H ARG 78 -5.390 63.268 28.893 553 HA ARG 78 HA ARG 78 -4.087 63.925 31.434 554 HB2 ARG 78 HB2 ARG 78 -3.066 64.504 29.159 555 HB3 ARG 78 HB3 ARG 78 -4.323 65.726 29.031 556 HG2 ARG 78 HG2 ARG 78 -2.401 66.823 29.839 557 HG3 ARG 78 HG3 ARG 78 -3.489 66.652 31.218 558 HD2 ARG 78 HD2 ARG 78 -2.224 64.838 32.093 559 HD3 ARG 78 HD3 ARG 78 -1.272 64.708 30.615 560 HE ARG 78 HE ARG 78 -0.925 67.273 31.696 561 HH11 ARG 78 HH11 ARG 78 -0.135 63.952 32.380 562 HH12 ARG 78 HH12 ARG 78 1.312 64.339 33.251 563 HH21 ARG 78 HH21 ARG 78 0.978 67.795 32.841 564 HH22 ARG 78 HH22 ARG 78 1.943 66.526 33.513 Start of MODEL 5 1 H1 GLY 1 H GLY 1 5.035 0.509 1.978 2 HA2 GLY 1 HA2 GLY 1 6.984 -0.730 0.286 3 HA3 GLY 1 HA3 GLY 1 5.348 -0.992 -0.300 4 H ASP 2 H ASP 2 4.067 0.849 -0.878 5 HA ASP 2 HA ASP 2 5.731 3.128 -1.707 6 HB2 ASP 2 HB2 ASP 2 3.011 2.464 -2.817 7 HB3 ASP 2 HB3 ASP 2 4.274 3.459 -3.537 8 H CYS 3 H CYS 3 5.610 4.439 0.080 9 HA CYS 3 HA CYS 3 3.320 6.078 0.338 10 HB2 CYS 3 HB2 CYS 3 2.607 5.503 2.586 11 HB3 CYS 3 HB3 CYS 3 2.474 4.086 1.549 12 H ALA 4 H ALA 4 3.563 7.601 2.266 13 HA ALA 4 HA ALA 4 6.418 8.236 2.558 14 HB1 ALA 4 HB1 ALA 4 3.948 9.935 2.571 15 HB2 ALA 4 HB2 ALA 4 5.473 10.524 3.232 16 HB3 ALA 4 HB3 ALA 4 5.371 10.053 1.536 17 H LYS 5 H LYS 5 7.367 8.272 4.507 18 HA LYS 5 HA LYS 5 6.187 7.073 6.737 19 HB2 LYS 5 HB2 LYS 5 8.725 8.334 6.090 20 HB3 LYS 5 HB3 LYS 5 8.245 8.652 7.751 21 HG2 LYS 5 HG2 LYS 5 9.508 6.710 7.898 22 HG3 LYS 5 HG3 LYS 5 7.842 6.126 7.913 23 HD2 LYS 5 HD2 LYS 5 9.131 6.378 5.263 24 HD3 LYS 5 HD3 LYS 5 9.745 5.105 6.321 25 HE2 LYS 5 HE2 LYS 5 7.097 4.729 6.618 26 HE3 LYS 5 HE3 LYS 5 7.130 5.368 4.975 27 HZ1 LYS 5 HZ1 LYS 5 9.130 3.563 4.940 28 HZ2 LYS 5 HZ2 LYS 5 7.553 3.264 4.408 29 HZ3 LYS 5 HZ3 LYS 5 8.018 2.814 5.971 30 H GLU 6 H GLU 6 6.047 8.135 8.940 31 HA GLU 6 HA GLU 6 4.068 10.135 8.884 32 HB2 GLU 6 HB2 GLU 6 4.157 8.590 10.725 33 HB3 GLU 6 HB3 GLU 6 5.788 9.101 11.140 34 HG2 GLU 6 HG2 GLU 6 4.901 11.343 11.687 35 HG3 GLU 6 HG3 GLU 6 3.274 10.737 11.380 36 H GLY 7 H GLY 7 4.209 12.274 8.727 37 HA2 GLY 7 HA2 GLY 7 5.076 14.402 9.273 38 HA3 GLY 7 HA3 GLY 7 6.600 13.644 9.708 39 H GLU 8 H GLU 8 6.634 12.075 7.191 40 HA GLU 8 HA GLU 8 8.160 13.847 5.633 41 HB2 GLU 8 HB2 GLU 8 6.998 11.124 5.134 42 HB3 GLU 8 HB3 GLU 8 7.827 11.991 3.849 43 HG2 GLU 8 HG2 GLU 8 8.997 11.220 6.512 44 HG3 GLU 8 HG3 GLU 8 9.322 10.444 4.963 45 H VAL 9 H VAL 9 7.755 14.524 3.416 46 HA VAL 9 HA VAL 9 5.202 15.784 3.160 47 HB VAL 9 HB VAL 9 7.432 15.592 1.130 48 HG11 VAL 9 HG11 VAL 9 6.389 17.611 0.169 49 HG12 VAL 9 HG12 VAL 9 5.331 16.200 0.097 50 HG13 VAL 9 HG13 VAL 9 5.060 17.446 1.316 51 HG21 VAL 9 HG21 VAL 9 7.552 18.112 2.078 52 HG22 VAL 9 HG22 VAL 9 7.040 17.255 3.532 53 HG23 VAL 9 HG23 VAL 9 8.525 16.782 2.707 54 H CYS 10 H CYS 10 3.590 15.418 1.644 55 HA CYS 10 HA CYS 10 3.732 12.832 0.236 56 HB2 CYS 10 HB2 CYS 10 1.413 12.453 0.684 57 HB3 CYS 10 HB3 CYS 10 2.174 12.879 2.214 58 H SER 11 H SER 11 2.655 12.682 -1.776 59 HA SER 11 HA SER 11 1.765 15.204 -2.975 60 HB2 SER 11 HB2 SER 11 3.090 14.709 -5.024 61 HB3 SER 11 HB3 SER 11 4.103 15.018 -3.614 62 HG SER 11 HG SER 11 4.956 13.205 -4.409 63 H TRP 12 H TRP 12 1.196 14.495 -5.471 64 HA TRP 12 HA TRP 12 -1.183 13.058 -5.278 65 HB2 TRP 12 HB2 TRP 12 -0.704 14.641 -7.096 66 HB3 TRP 12 HB3 TRP 12 0.512 13.541 -7.739 67 HD1 TRP 12 HD1 TRP 12 -3.202 14.201 -7.733 68 HE1 TRP 12 HE1 TRP 12 -4.372 12.516 -9.288 69 HE3 TRP 12 HE3 TRP 12 0.715 11.028 -8.588 70 HZ2 TRP 12 HZ2 TRP 12 -3.722 10.154 -10.691 71 HZ3 TRP 12 HZ3 TRP 12 0.357 9.079 -10.048 72 HH2 TRP 12 HH2 TRP 12 -1.816 8.653 -11.076 73 H GLY 13 H GLY 13 2.069 11.994 -6.104 74 HA2 GLY 13 HA2 GLY 13 1.102 9.280 -6.623 75 HA3 GLY 13 HA3 GLY 13 2.733 9.870 -6.906 76 H LYS 14 H LYS 14 2.714 11.120 -4.167 77 HA LYS 14 HA LYS 14 3.422 8.669 -2.718 78 HB2 LYS 14 HB2 LYS 14 4.994 10.754 -3.117 79 HB3 LYS 14 HB3 LYS 14 4.132 11.398 -1.726 80 HG2 LYS 14 HG2 LYS 14 5.948 10.406 -0.735 81 HG3 LYS 14 HG3 LYS 14 4.743 9.120 -0.630 82 HD2 LYS 14 HD2 LYS 14 6.511 7.932 -1.462 83 HD3 LYS 14 HD3 LYS 14 5.765 8.454 -2.974 84 HE2 LYS 14 HE2 LYS 14 7.368 10.123 -3.320 85 HE3 LYS 14 HE3 LYS 14 7.897 10.088 -1.638 86 HZ1 LYS 14 HZ1 LYS 14 9.080 8.791 -3.726 87 HZ2 LYS 14 HZ2 LYS 14 8.232 7.562 -2.932 88 HZ3 LYS 14 HZ3 LYS 14 9.361 8.495 -2.084 89 H LYS 15 H LYS 15 1.837 7.928 -1.469 90 HA LYS 15 HA LYS 15 0.124 9.857 -0.057 91 HB2 LYS 15 HB2 LYS 15 -0.307 7.056 -1.026 92 HB3 LYS 15 HB3 LYS 15 -1.262 7.665 0.319 93 HG2 LYS 15 HG2 LYS 15 -1.636 9.683 -1.366 94 HG3 LYS 15 HG3 LYS 15 -1.322 8.408 -2.546 95 HD2 LYS 15 HD2 LYS 15 -3.575 8.147 -2.323 96 HD3 LYS 15 HD3 LYS 15 -3.044 7.091 -1.012 97 HE2 LYS 15 HE2 LYS 15 -4.743 8.426 -0.084 98 HE3 LYS 15 HE3 LYS 15 -3.234 9.127 0.497 99 HZ1 LYS 15 HZ1 LYS 15 -3.693 11.039 -0.503 100 HZ2 LYS 15 HZ2 LYS 15 -5.253 10.451 -0.792 101 HZ3 LYS 15 HZ3 LYS 15 -4.055 10.286 -1.975 102 H CYS 16 H CYS 16 0.083 9.935 2.117 103 HA CYS 16 HA CYS 16 2.147 8.961 3.669 104 HB2 CYS 16 HB2 CYS 16 -0.661 9.655 4.558 105 HB3 CYS 16 HB3 CYS 16 0.733 9.504 5.623 106 H CYS 17 H CYS 17 2.567 7.127 4.767 107 HA CYS 17 HA CYS 17 1.402 4.713 4.062 108 HB2 CYS 17 HB2 CYS 17 2.835 5.316 6.658 109 HB3 CYS 17 HB3 CYS 17 2.636 3.731 5.917 110 H ASP 18 H ASP 18 0.760 6.761 6.880 111 HA ASP 18 HA ASP 18 -1.497 5.022 7.592 112 HB2 ASP 18 HB2 ASP 18 0.298 6.817 9.123 113 HB3 ASP 18 HB3 ASP 18 -1.384 6.767 9.644 114 H LEU 19 H LEU 19 -3.150 5.665 6.295 115 HA LEU 19 HA LEU 19 -3.718 8.476 5.896 116 HB2 LEU 19 HB2 LEU 19 -5.267 6.040 5.028 117 HB3 LEU 19 HB3 LEU 19 -5.549 7.694 4.490 118 HG LEU 19 HG LEU 19 -3.143 5.978 3.883 119 HD11 LEU 19 HD11 LEU 19 -5.407 7.025 2.195 120 HD12 LEU 19 HD12 LEU 19 -5.026 5.342 2.557 121 HD13 LEU 19 HD13 LEU 19 -3.940 6.293 1.544 122 HD21 LEU 19 HD21 LEU 19 -3.724 8.834 3.104 123 HD22 LEU 19 HD22 LEU 19 -2.384 7.856 2.507 124 HD23 LEU 19 HD23 LEU 19 -2.465 8.293 4.214 125 H ASP 20 H ASP 20 -5.025 5.759 7.703 126 HA ASP 20 HA ASP 20 -7.443 6.934 8.517 127 HB2 ASP 20 HB2 ASP 20 -5.715 4.816 9.801 128 HB3 ASP 20 HB3 ASP 20 -7.292 5.283 10.433 129 H ASN 21 H ASN 21 -4.182 7.131 9.815 130 HA ASN 21 HA ASN 21 -5.116 8.800 12.028 131 HB2 ASN 21 HB2 ASN 21 -2.311 7.819 11.467 132 HB3 ASN 21 HB3 ASN 21 -2.899 8.544 12.960 133 HD21 ASN 21 HD21 ASN 21 -4.586 7.364 14.119 134 HD22 ASN 21 HD22 ASN 21 -4.567 5.637 14.075 135 H PHE 22 H PHE 22 -2.562 8.906 9.539 136 HA PHE 22 HA PHE 22 -2.494 11.818 9.773 137 HB2 PHE 22 HB2 PHE 22 -0.704 10.096 8.060 138 HB3 PHE 22 HB3 PHE 22 -0.416 11.745 8.606 139 HD1 PHE 22 HD1 PHE 22 1.008 8.824 8.943 140 HD2 PHE 22 HD2 PHE 22 -1.041 11.587 11.451 141 HE1 PHE 22 HE1 PHE 22 2.233 7.958 10.893 142 HE2 PHE 22 HE2 PHE 22 0.181 10.725 13.404 143 HZ PHE 22 HZ PHE 22 1.821 8.909 13.127 144 H TYR 23 H TYR 23 -2.348 13.095 7.746 145 HA TYR 23 HA TYR 23 -3.525 11.955 5.369 146 HB2 TYR 23 HB2 TYR 23 -5.510 13.277 5.317 147 HB3 TYR 23 HB3 TYR 23 -5.470 12.491 6.891 148 HD1 TYR 23 HD1 TYR 23 -6.210 15.466 5.322 149 HD2 TYR 23 HD2 TYR 23 -4.097 13.993 8.709 150 HE1 TYR 23 HE1 TYR 23 -6.444 17.657 6.414 151 HE2 TYR 23 HE2 TYR 23 -4.326 16.180 9.810 152 HH TYR 23 HH TYR 23 -4.769 18.433 9.357 153 H CYS 24 H CYS 24 -4.018 13.887 3.776 154 HA CYS 24 HA CYS 24 -1.669 15.655 3.893 155 HB2 CYS 24 HB2 CYS 24 -3.240 14.617 1.527 156 HB3 CYS 24 HB3 CYS 24 -1.955 15.815 1.407 157 HA PRO 25 HA PRO 25 -5.138 18.577 4.512 158 HB2 PRO 25 HB2 PRO 25 -3.659 20.346 5.944 159 HB3 PRO 25 HB3 PRO 25 -4.423 18.926 6.667 160 HG2 PRO 25 HG2 PRO 25 -1.584 19.315 5.802 161 HG3 PRO 25 HG3 PRO 25 -2.210 18.548 7.273 162 HD2 PRO 25 HD2 PRO 25 -1.358 17.121 5.135 163 HD3 PRO 25 HD3 PRO 25 -2.670 16.564 6.193 164 H MET 26 H MET 26 -5.385 20.810 3.838 165 HA MET 26 HA MET 26 -3.806 21.389 1.483 166 HB2 MET 26 HB2 MET 26 -6.362 22.381 2.643 167 HB3 MET 26 HB3 MET 26 -5.487 23.456 1.561 168 HG2 MET 26 HG2 MET 26 -6.958 22.340 0.162 169 HG3 MET 26 HG3 MET 26 -5.437 21.478 -0.059 170 HE1 MET 26 HE1 MET 26 -6.340 19.175 -0.961 171 HE2 MET 26 HE2 MET 26 -5.079 19.091 0.269 172 HE3 MET 26 HE3 MET 26 -6.445 17.978 0.330 173 H GLU 27 H GLU 27 -1.887 22.325 1.811 174 HA GLU 27 HA GLU 27 -1.760 24.938 2.973 175 HB2 GLU 27 HB2 GLU 27 -0.127 24.423 4.724 176 HB3 GLU 27 HB3 GLU 27 -1.657 23.610 5.022 177 HG2 GLU 27 HG2 GLU 27 -0.504 21.625 3.775 178 HG3 GLU 27 HG3 GLU 27 0.975 22.468 4.230 179 H PHE 28 H PHE 28 0.618 25.695 3.031 180 HA PHE 28 HA PHE 28 1.677 25.597 0.485 181 HB2 PHE 28 HB2 PHE 28 2.902 26.287 3.144 182 HB3 PHE 28 HB3 PHE 28 3.851 26.355 1.662 183 HD1 PHE 28 HD1 PHE 28 1.407 28.003 3.716 184 HD2 PHE 28 HD2 PHE 28 3.123 27.890 -0.178 185 HE1 PHE 28 HE1 PHE 28 0.536 30.261 3.270 186 HE2 PHE 28 HE2 PHE 28 2.256 30.148 -0.629 187 HZ PHE 28 HZ PHE 28 0.961 31.337 1.095 188 H ILE 29 H ILE 29 2.746 23.769 3.344 189 HA ILE 29 HA ILE 29 4.054 21.864 1.515 190 HB ILE 29 HB ILE 29 4.989 22.618 4.286 191 HG12 ILE 29 HG12 ILE 29 6.873 23.052 2.130 192 HG13 ILE 29 HG13 ILE 29 5.385 23.950 1.851 193 HG21 ILE 29 HG21 ILE 29 6.195 20.756 2.243 194 HG22 ILE 29 HG22 ILE 29 6.920 21.201 3.787 195 HG23 ILE 29 HG23 ILE 29 5.417 20.279 3.752 196 HD11 ILE 29 HD11 ILE 29 6.642 25.457 3.038 197 HD12 ILE 29 HD12 ILE 29 5.699 24.697 4.320 198 HD13 ILE 29 HD13 ILE 29 7.373 24.214 4.052 199 HA PRO 30 HA PRO 30 0.939 19.322 3.588 200 HB2 PRO 30 HB2 PRO 30 1.048 17.323 1.754 201 HB3 PRO 30 HB3 PRO 30 0.117 18.805 1.506 202 HG2 PRO 30 HG2 PRO 30 2.829 18.076 0.471 203 HG3 PRO 30 HG3 PRO 30 1.485 18.866 -0.373 204 HD2 PRO 30 HD2 PRO 30 3.598 20.244 0.608 205 HD3 PRO 30 HD3 PRO 30 1.963 20.931 0.532 206 H HIS 31 H HIS 31 1.542 18.184 5.312 207 HA HIS 31 HA HIS 31 3.903 16.436 5.101 208 HB2 HIS 31 HB2 HIS 31 2.686 17.738 7.545 209 HB3 HIS 31 HB3 HIS 31 4.064 16.641 7.567 210 HD1 HIS 31 HD1 HIS 31 3.609 19.975 8.059 211 HD2 HIS 31 HD2 HIS 31 5.965 17.914 5.327 212 HE1 HIS 31 HE1 HIS 31 5.406 21.592 7.366 213 H CYS 32 H CYS 32 3.757 14.627 6.882 214 HA CYS 32 HA CYS 32 1.155 13.304 6.500 215 HB2 CYS 32 HB2 CYS 32 3.957 12.237 6.744 216 HB3 CYS 32 HB3 CYS 32 2.565 11.205 7.059 217 H LYS 33 H LYS 33 0.894 14.955 8.473 218 HA LYS 33 HA LYS 33 1.432 13.442 10.944 219 HB2 LYS 33 HB2 LYS 33 0.937 16.406 10.601 220 HB3 LYS 33 HB3 LYS 33 1.208 15.590 12.135 221 HG2 LYS 33 HG2 LYS 33 3.421 14.806 10.939 222 HG3 LYS 33 HG3 LYS 33 3.129 16.252 9.969 223 HD2 LYS 33 HD2 LYS 33 3.106 16.303 12.976 224 HD3 LYS 33 HD3 LYS 33 4.587 16.522 12.041 225 HE2 LYS 33 HE2 LYS 33 3.831 18.517 11.092 226 HE3 LYS 33 HE3 LYS 33 2.147 18.174 11.487 227 HZ1 LYS 33 HZ1 LYS 33 3.288 19.897 12.894 228 HZ2 LYS 33 HZ2 LYS 33 4.206 18.644 13.563 229 HZ3 LYS 33 HZ3 LYS 33 2.524 18.650 13.745 230 H LYS 34 H LYS 34 -0.249 13.952 12.699 231 HA LYS 34 HA LYS 34 -2.853 13.328 11.586 232 HB2 LYS 34 HB2 LYS 34 -3.508 12.868 13.890 233 HB3 LYS 34 HB3 LYS 34 -2.001 12.048 13.503 234 HG2 LYS 34 HG2 LYS 34 -0.745 13.428 14.859 235 HG3 LYS 34 HG3 LYS 34 -1.939 14.728 14.817 236 HD2 LYS 34 HD2 LYS 34 -1.950 13.684 16.998 237 HD3 LYS 34 HD3 LYS 34 -3.464 13.326 16.164 238 HE2 LYS 34 HE2 LYS 34 -2.961 11.112 15.915 239 HE3 LYS 34 HE3 LYS 34 -1.223 11.401 15.861 240 HZ1 LYS 34 HZ1 LYS 34 -1.052 11.367 18.115 241 HZ2 LYS 34 HZ2 LYS 34 -2.363 10.313 17.941 242 HZ3 LYS 34 HZ3 LYS 34 -2.627 11.927 18.375 243 H TYR 35 H TYR 35 -4.807 14.414 12.370 244 HA TYR 35 HA TYR 35 -4.831 17.127 11.867 245 HB2 TYR 35 HB2 TYR 35 -6.729 15.276 13.253 246 HB3 TYR 35 HB3 TYR 35 -7.045 17.007 13.292 247 HD1 TYR 35 HD1 TYR 35 -6.775 14.048 11.126 248 HD2 TYR 35 HD2 TYR 35 -7.745 18.186 11.314 249 HE1 TYR 35 HE1 TYR 35 -7.804 13.902 8.897 250 HE2 TYR 35 HE2 TYR 35 -8.778 18.051 9.086 251 HH TYR 35 HH TYR 35 -9.832 16.216 7.653 252 H LYS 36 H LYS 36 -5.219 18.956 13.247 253 HA LYS 36 HA LYS 36 -3.420 19.107 15.421 254 HB2 LYS 36 HB2 LYS 36 -5.466 20.939 14.237 255 HB3 LYS 36 HB3 LYS 36 -4.770 21.337 15.802 256 HG2 LYS 36 HG2 LYS 36 -2.836 20.620 13.705 257 HG3 LYS 36 HG3 LYS 36 -3.736 22.115 13.441 258 HD2 LYS 36 HD2 LYS 36 -3.098 22.724 15.834 259 HD3 LYS 36 HD3 LYS 36 -1.945 21.390 15.746 260 HE2 LYS 36 HE2 LYS 36 -2.038 23.859 14.021 261 HE3 LYS 36 HE3 LYS 36 -0.791 23.408 15.184 262 HZ1 LYS 36 HZ1 LYS 36 0.214 22.671 13.322 263 HZ2 LYS 36 HZ2 LYS 36 -1.231 22.455 12.470 264 HZ3 LYS 36 HZ3 LYS 36 -0.730 21.294 13.594 265 HA PRO 37 HA PRO 37 -5.796 17.948 18.923 266 HB2 PRO 37 HB2 PRO 37 -5.006 19.759 20.785 267 HB3 PRO 37 HB3 PRO 37 -3.962 18.452 20.213 268 HG2 PRO 37 HG2 PRO 37 -4.013 21.331 19.394 269 HG3 PRO 37 HG3 PRO 37 -2.619 20.286 19.724 270 HD2 PRO 37 HD2 PRO 37 -3.457 20.846 17.211 271 HD3 PRO 37 HD3 PRO 37 -2.709 19.295 17.645 272 H TYR 38 H TYR 38 -7.429 18.669 20.492 273 HA TYR 38 HA TYR 38 -9.443 20.209 19.295 274 HB2 TYR 38 HB2 TYR 38 -9.020 18.990 21.978 275 HB3 TYR 38 HB3 TYR 38 -10.273 20.217 21.831 276 HD1 TYR 38 HD1 TYR 38 -9.843 16.845 21.912 277 HD2 TYR 38 HD2 TYR 38 -11.666 19.804 19.457 278 HE1 TYR 38 HE1 TYR 38 -11.390 15.150 21.027 279 HE2 TYR 38 HE2 TYR 38 -13.218 18.118 18.566 280 HH TYR 38 HH TYR 38 -13.179 15.543 18.292 281 H VAL 39 H VAL 39 -10.253 22.261 19.744 282 HA VAL 39 HA VAL 39 -8.252 24.164 20.649 283 HB VAL 39 HB VAL 39 -11.007 24.658 19.510 284 HG11 VAL 39 HG11 VAL 39 -10.292 26.946 19.208 285 HG12 VAL 39 HG12 VAL 39 -10.131 26.499 20.907 286 HG13 VAL 39 HG13 VAL 39 -8.703 26.570 19.873 287 HG21 VAL 39 HG21 VAL 39 -9.812 23.669 17.772 288 HG22 VAL 39 HG22 VAL 39 -9.566 25.395 17.505 289 HG23 VAL 39 HG23 VAL 39 -8.295 24.428 18.254 290 HA PRO 40 HA PRO 40 -9.963 24.504 24.714 291 HB2 PRO 40 HB2 PRO 40 -8.678 26.782 25.442 292 HB3 PRO 40 HB3 PRO 40 -7.873 25.211 25.356 293 HG2 PRO 40 HG2 PRO 40 -7.875 27.449 23.369 294 HG3 PRO 40 HG3 PRO 40 -6.525 26.437 23.912 295 HD2 PRO 40 HD2 PRO 40 -7.812 26.013 21.568 296 HD3 PRO 40 HD3 PRO 40 -7.110 24.692 22.524 297 H VAL 41 H VAL 41 -11.324 25.906 25.961 298 HA VAL 41 HA VAL 41 -13.381 27.127 24.571 299 HB VAL 41 HB VAL 41 -12.521 27.762 27.397 300 HG11 VAL 41 HG11 VAL 41 -15.035 28.267 25.845 301 HG12 VAL 41 HG12 VAL 41 -15.057 28.138 27.604 302 HG13 VAL 41 HG13 VAL 41 -14.089 29.389 26.822 303 HG21 VAL 41 HG21 VAL 41 -13.856 25.430 26.183 304 HG22 VAL 41 HG22 VAL 41 -12.894 25.549 27.656 305 HG23 VAL 41 HG23 VAL 41 -14.584 26.052 27.664 306 H THR 42 H THR 42 -13.937 29.246 24.106 307 HA THR 42 HA THR 42 -11.967 30.960 23.197 308 HB THR 42 HB THR 42 -14.596 32.049 24.157 309 HG1 THR 42 HG1 THR 42 -14.119 30.198 22.076 310 HG21 THR 42 HG21 THR 42 -12.559 32.720 22.108 311 HG22 THR 42 HG22 THR 42 -13.537 33.780 23.123 312 HG23 THR 42 HG23 THR 42 -14.245 33.027 21.695 313 H THR 43 H THR 43 -10.865 32.683 24.013 314 HA THR 43 HA THR 43 -10.256 32.776 26.730 315 HB THR 43 HB THR 43 -8.816 33.709 24.926 316 HG1 THR 43 HG1 THR 43 -7.913 34.931 26.414 317 HG21 THR 43 HG21 THR 43 -9.241 35.830 23.952 318 HG22 THR 43 HG22 THR 43 -10.595 36.138 25.040 319 HG23 THR 43 HG23 THR 43 -10.735 34.908 23.784 320 H SER 44 H SER 44 -10.459 34.837 28.082 321 HA SER 44 HA SER 44 -13.275 35.379 28.404 322 HB2 SER 44 HB2 SER 44 -10.813 36.142 29.970 323 HB3 SER 44 HB3 SER 44 -12.407 36.783 30.368 324 HG SER 44 HG SER 44 -12.824 34.966 31.314 325 H PHE 45 H PHE 45 -14.154 37.538 28.605 326 HA PHE 45 HA PHE 45 -13.263 39.238 26.465 327 HB2 PHE 45 HB2 PHE 45 -15.550 39.379 28.422 328 HB3 PHE 45 HB3 PHE 45 -15.211 40.687 27.294 329 HD1 PHE 45 HD1 PHE 45 -17.019 37.733 27.789 330 HD2 PHE 45 HD2 PHE 45 -14.960 39.933 24.783 331 HE1 PHE 45 HE1 PHE 45 -18.310 36.562 26.053 332 HE2 PHE 45 HE2 PHE 45 -16.248 38.766 23.042 333 HZ PHE 45 HZ PHE 45 -17.926 37.079 23.675 334 H ASN 46 H ASN 46 -12.061 41.030 26.588 335 HA ASN 46 HA ASN 46 -11.931 42.739 28.832 336 HB2 ASN 46 HB2 ASN 46 -10.578 40.622 29.529 337 HB3 ASN 46 HB3 ASN 46 -9.344 41.263 28.448 338 HD21 ASN 46 HD21 ASN 46 -11.558 42.582 30.893 339 HD22 ASN 46 HD22 ASN 46 -10.352 43.484 31.740 340 H CYS 47 H CYS 47 -11.412 44.679 28.068 341 HA CYS 47 HA CYS 47 -10.663 45.105 25.395 342 HB2 CYS 47 HB2 CYS 47 -10.317 47.478 26.113 343 HB3 CYS 47 HB3 CYS 47 -11.877 46.809 26.580 344 H ALA 48 H ALA 48 -8.729 46.271 24.640 345 HA ALA 48 HA ALA 48 -6.348 44.965 25.596 346 HB1 ALA 48 HB1 ALA 48 -6.928 46.842 23.328 347 HB2 ALA 48 HB2 ALA 48 -5.279 46.375 23.745 348 HB3 ALA 48 HB3 ALA 48 -6.450 45.146 23.267 349 H LYS 49 H LYS 49 -5.306 45.695 27.325 350 HA LYS 49 HA LYS 49 -5.529 48.406 28.230 351 HB2 LYS 49 HB2 LYS 49 -3.799 46.114 29.174 352 HB3 LYS 49 HB3 LYS 49 -3.903 47.673 29.981 353 HG2 LYS 49 HG2 LYS 49 -6.372 47.265 30.221 354 HG3 LYS 49 HG3 LYS 49 -6.074 45.620 29.655 355 HD2 LYS 49 HD2 LYS 49 -4.789 45.083 31.538 356 HD3 LYS 49 HD3 LYS 49 -4.551 46.778 31.968 357 HE2 LYS 49 HE2 LYS 49 -6.127 45.809 33.498 358 HE3 LYS 49 HE3 LYS 49 -6.982 46.939 32.449 359 HZ1 LYS 49 HZ1 LYS 49 -7.013 43.981 32.349 360 HZ2 LYS 49 HZ2 LYS 49 -7.559 44.931 31.061 361 HZ3 LYS 49 HZ3 LYS 49 -8.319 45.034 32.569 362 H GLU 50 H GLU 50 -3.502 49.649 28.825 363 HA GLU 50 HA GLU 50 -2.135 50.441 26.563 364 HB2 GLU 50 HB2 GLU 50 -2.290 51.694 28.729 365 HB3 GLU 50 HB3 GLU 50 -1.063 50.618 29.382 366 HG2 GLU 50 HG2 GLU 50 -0.560 52.188 26.887 367 HG3 GLU 50 HG3 GLU 50 -0.349 52.913 28.480 368 H GLY 51 H GLY 51 -0.456 49.692 25.430 369 HA2 GLY 51 HA2 GLY 51 1.711 48.700 25.248 370 HA3 GLY 51 HA3 GLY 51 1.369 47.768 26.699 371 H GLU 52 H GLU 52 -1.319 47.024 25.732 372 HA GLU 52 HA GLU 52 -0.648 44.590 24.491 373 HB2 GLU 52 HB2 GLU 52 -3.345 45.952 24.595 374 HB3 GLU 52 HB3 GLU 52 -3.059 44.253 24.250 375 HG2 GLU 52 HG2 GLU 52 -2.344 45.610 26.838 376 HG3 GLU 52 HG3 GLU 52 -3.823 44.691 26.559 377 H VAL 53 H VAL 53 -1.184 43.814 22.388 378 HA VAL 53 HA VAL 53 -0.765 45.821 20.329 379 HB VAL 53 HB VAL 53 -1.018 42.834 19.974 380 HG11 VAL 53 HG11 VAL 53 0.402 43.361 17.947 381 HG12 VAL 53 HG12 VAL 53 -1.270 43.921 17.890 382 HG13 VAL 53 HG13 VAL 53 0.031 45.059 18.243 383 HG21 VAL 53 HG21 VAL 53 1.660 43.511 19.752 384 HG22 VAL 53 HG22 VAL 53 1.105 44.408 21.166 385 HG23 VAL 53 HG23 VAL 53 0.901 42.657 21.096 386 H CYS 54 H CYS 54 -2.107 46.100 18.516 387 HA CYS 54 HA CYS 54 -4.882 45.188 18.911 388 HB2 CYS 54 HB2 CYS 54 -3.992 47.719 17.517 389 HB3 CYS 54 HB3 CYS 54 -5.644 47.245 17.898 390 H GLY 55 H GLY 55 -6.042 44.452 17.146 391 HA2 GLY 55 HA2 GLY 55 -5.803 44.601 14.525 392 HA3 GLY 55 HA3 GLY 55 -4.393 43.614 14.880 393 H TRP 56 H TRP 56 -5.647 42.184 17.070 394 HA TRP 56 HA TRP 56 -7.147 40.275 15.462 395 HB2 TRP 56 HB2 TRP 56 -5.857 40.158 18.180 396 HB3 TRP 56 HB3 TRP 56 -6.966 38.902 17.638 397 HD1 TRP 56 HD1 TRP 56 -3.399 40.002 17.372 398 HE1 TRP 56 HE1 TRP 56 -2.109 38.415 15.810 399 HE3 TRP 56 HE3 TRP 56 -7.347 37.436 15.380 400 HZ2 TRP 56 HZ2 TRP 56 -2.688 36.349 13.975 401 HZ3 TRP 56 HZ3 TRP 56 -6.893 35.671 13.728 402 HH2 TRP 56 HH2 TRP 56 -4.611 35.140 13.041 403 H GLY 57 H GLY 57 -8.660 42.482 15.760 404 HA2 GLY 57 HA2 GLY 57 -10.775 43.129 16.377 405 HA3 GLY 57 HA3 GLY 57 -11.011 41.490 16.964 406 H SER 58 H SER 58 -8.510 43.651 18.140 407 HA SER 58 HA SER 58 -9.887 43.697 20.744 408 HB2 SER 58 HB2 SER 58 -7.497 42.594 20.322 409 HB3 SER 58 HB3 SER 58 -6.965 44.259 20.549 410 HG SER 58 HG SER 58 -8.686 42.932 22.363 411 H LYS 59 H LYS 59 -10.584 45.595 21.449 412 HA LYS 59 HA LYS 59 -9.486 48.037 20.225 413 HB2 LYS 59 HB2 LYS 59 -12.126 47.822 21.662 414 HB3 LYS 59 HB3 LYS 59 -11.583 49.095 20.577 415 HG2 LYS 59 HG2 LYS 59 -12.223 46.259 19.792 416 HG3 LYS 59 HG3 LYS 59 -13.238 47.674 19.509 417 HD2 LYS 59 HD2 LYS 59 -10.739 48.347 18.463 418 HD3 LYS 59 HD3 LYS 59 -11.008 46.672 17.974 419 HE2 LYS 59 HE2 LYS 59 -13.441 47.757 17.469 420 HE3 LYS 59 HE3 LYS 59 -12.389 49.135 17.149 421 HZ1 LYS 59 HZ1 LYS 59 -12.676 47.915 15.138 422 HZ2 LYS 59 HZ2 LYS 59 -12.252 46.456 15.881 423 HZ3 LYS 59 HZ3 LYS 59 -11.088 47.664 15.664 424 H CYS 60 H CYS 60 -8.477 49.492 21.463 425 HA CYS 60 HA CYS 60 -7.632 48.952 24.046 426 HB2 CYS 60 HB2 CYS 60 -7.912 51.637 22.680 427 HB3 CYS 60 HB3 CYS 60 -6.986 51.348 24.150 428 H CYS 61 H CYS 61 -8.179 49.837 26.082 429 HA CYS 61 HA CYS 61 -10.969 49.959 26.586 430 HB2 CYS 61 HB2 CYS 61 -8.779 50.826 28.475 431 HB3 CYS 61 HB3 CYS 61 -10.385 50.234 28.888 432 H HIS 62 H HIS 62 -11.922 51.782 27.935 433 HA HIS 62 HA HIS 62 -12.104 54.098 26.429 434 HB2 HIS 62 HB2 HIS 62 -12.756 53.524 29.312 435 HB3 HIS 62 HB3 HIS 62 -13.047 55.109 28.600 436 HD1 HIS 62 HD1 HIS 62 -15.215 55.401 27.417 437 HD2 HIS 62 HD2 HIS 62 -14.241 51.395 27.936 438 HE1 HIS 62 HE1 HIS 62 -17.223 54.112 26.623 439 H GLY 63 H GLY 63 -10.869 55.848 26.190 440 HA2 GLY 63 HA2 GLY 63 -9.522 57.627 27.013 441 HA3 GLY 63 HA3 GLY 63 -9.008 56.589 28.334 442 H LEU 64 H LEU 64 -8.587 54.371 26.314 443 HA LEU 64 HA LEU 64 -5.915 55.253 25.483 444 HB2 LEU 64 HB2 LEU 64 -7.063 52.487 25.824 445 HB3 LEU 64 HB3 LEU 64 -5.423 52.837 25.282 446 HG LEU 64 HG LEU 64 -6.367 53.854 27.932 447 HD11 LEU 64 HD11 LEU 64 -6.955 51.544 28.055 448 HD12 LEU 64 HD12 LEU 64 -5.443 51.764 28.934 449 HD13 LEU 64 HD13 LEU 64 -5.428 51.059 27.318 450 HD21 LEU 64 HD21 LEU 64 -4.291 54.700 27.651 451 HD22 LEU 64 HD22 LEU 64 -3.816 53.450 26.501 452 HD23 LEU 64 HD23 LEU 64 -3.808 53.105 28.231 453 H ASP 65 H ASP 65 -5.082 54.444 23.417 454 HA ASP 65 HA ASP 65 -7.027 53.648 21.421 455 HB2 ASP 65 HB2 ASP 65 -6.977 56.244 21.661 456 HB3 ASP 65 HB3 ASP 65 -5.436 56.121 20.817 457 H CYS 66 H CYS 66 -6.025 53.099 19.358 458 HA CYS 66 HA CYS 66 -3.183 52.390 19.685 459 HB2 CYS 66 HB2 CYS 66 -5.446 50.760 19.086 460 HB3 CYS 66 HB3 CYS 66 -4.404 50.791 17.666 461 HA PRO 67 HA PRO 67 -2.433 55.015 16.206 462 HB2 PRO 67 HB2 PRO 67 0.108 54.202 15.700 463 HB3 PRO 67 HB3 PRO 67 -0.311 55.258 17.054 464 HG2 PRO 67 HG2 PRO 67 0.175 52.305 17.037 465 HG3 PRO 67 HG3 PRO 67 0.728 53.523 18.201 466 HD2 PRO 67 HD2 PRO 67 -1.397 51.913 18.675 467 HD3 PRO 67 HD3 PRO 67 -1.296 53.571 19.303 468 H LEU 68 H LEU 68 -1.758 54.833 13.924 469 HA LEU 68 HA LEU 68 -2.709 52.310 12.789 470 HB2 LEU 68 HB2 LEU 68 -2.521 55.120 11.817 471 HB3 LEU 68 HB3 LEU 68 -2.522 53.813 10.635 472 HG LEU 68 HG LEU 68 -4.752 54.724 10.900 473 HD11 LEU 68 HD11 LEU 68 -5.353 52.276 12.278 474 HD12 LEU 68 HD12 LEU 68 -4.044 52.028 11.123 475 HD13 LEU 68 HD13 LEU 68 -5.584 52.694 10.580 476 HD21 LEU 68 HD21 LEU 68 -5.947 54.480 13.047 477 HD22 LEU 68 HD22 LEU 68 -4.593 55.607 13.141 478 HD23 LEU 68 HD23 LEU 68 -4.436 53.980 13.805 479 H ALA 69 H ALA 69 -0.958 50.957 12.853 480 HA ALA 69 HA ALA 69 1.060 51.388 10.849 481 HB1 ALA 69 HB1 ALA 69 1.879 51.243 13.747 482 HB2 ALA 69 HB2 ALA 69 2.979 51.130 12.373 483 HB3 ALA 69 HB3 ALA 69 2.080 52.619 12.663 484 H PHE 70 H PHE 70 2.839 49.476 11.319 485 HA PHE 70 HA PHE 70 1.590 47.110 10.640 486 HB2 PHE 70 HB2 PHE 70 4.253 47.419 12.043 487 HB3 PHE 70 HB3 PHE 70 3.721 46.000 11.148 488 HD1 PHE 70 HD1 PHE 70 5.754 48.754 10.960 489 HD2 PHE 70 HD2 PHE 70 2.818 46.690 8.672 490 HE1 PHE 70 HE1 PHE 70 6.694 49.711 8.898 491 HE2 PHE 70 HE2 PHE 70 3.754 47.643 6.606 492 HZ PHE 70 HZ PHE 70 5.695 49.155 6.716 493 H ILE 71 H ILE 71 3.178 47.672 13.785 494 HA ILE 71 HA ILE 71 1.064 46.047 15.037 495 HB ILE 71 HB ILE 71 3.954 46.018 15.898 496 HG12 ILE 71 HG12 ILE 71 3.503 43.519 14.952 497 HG13 ILE 71 HG13 ILE 71 2.516 44.457 13.836 498 HG21 ILE 71 HG21 ILE 71 1.588 44.304 16.642 499 HG22 ILE 71 HG22 ILE 71 3.246 44.034 17.178 500 HG23 ILE 71 HG23 ILE 71 2.388 45.495 17.667 501 HD11 ILE 71 HD11 ILE 71 4.483 44.466 12.710 502 HD12 ILE 71 HD12 ILE 71 4.716 45.912 13.692 503 HD13 ILE 71 HD13 ILE 71 5.456 44.387 14.178 504 HA PRO 72 HA PRO 72 1.210 50.142 17.138 505 HB2 PRO 72 HB2 PRO 72 -1.474 50.276 17.521 506 HB3 PRO 72 HB3 PRO 72 -0.690 50.794 16.024 507 HG2 PRO 72 HG2 PRO 72 -2.090 48.220 16.637 508 HG3 PRO 72 HG3 PRO 72 -2.183 49.224 15.178 509 HD2 PRO 72 HD2 PRO 72 -0.663 46.987 15.312 510 HD3 PRO 72 HD3 PRO 72 -0.208 48.393 14.328 511 H TYR 73 H TYR 73 0.326 50.741 19.304 512 HA TYR 73 HA TYR 73 -0.336 48.468 21.017 513 HB2 TYR 73 HB2 TYR 73 1.921 50.359 21.701 514 HB3 TYR 73 HB3 TYR 73 1.406 48.943 22.611 515 HD1 TYR 73 HD1 TYR 73 1.527 46.668 21.304 516 HD2 TYR 73 HD2 TYR 73 3.704 50.164 20.237 517 HE1 TYR 73 HE1 TYR 73 3.135 45.281 20.063 518 HE2 TYR 73 HE2 TYR 73 5.318 48.787 18.992 519 HH TYR 73 HH TYR 73 4.765 45.443 18.344 520 H CYS 74 H CYS 74 -1.810 48.971 22.516 521 HA CYS 74 HA CYS 74 -3.224 51.339 22.516 522 HB2 CYS 74 HB2 CYS 74 -2.909 49.202 24.614 523 HB3 CYS 74 HB3 CYS 74 -3.962 50.590 24.866 524 H GLU 75 H GLU 75 -3.115 53.257 23.573 525 HA GLU 75 HA GLU 75 -1.311 53.672 25.781 526 HB2 GLU 75 HB2 GLU 75 0.031 55.409 24.682 527 HB3 GLU 75 HB3 GLU 75 0.253 53.842 23.917 528 HG2 GLU 75 HG2 GLU 75 -1.623 54.690 22.310 529 HG3 GLU 75 HG3 GLU 75 -1.115 56.276 22.887 530 H LYS 76 H LYS 76 -1.723 55.573 26.909 531 HA LYS 76 HA LYS 76 -4.299 56.555 26.919 532 HB2 LYS 76 HB2 LYS 76 -1.742 57.833 27.888 533 HB3 LYS 76 HB3 LYS 76 -3.336 58.498 28.218 534 HG2 LYS 76 HG2 LYS 76 -2.549 55.702 28.984 535 HG3 LYS 76 HG3 LYS 76 -2.313 57.095 30.042 536 HD2 LYS 76 HD2 LYS 76 -4.733 57.565 29.911 537 HD3 LYS 76 HD3 LYS 76 -4.940 56.118 28.921 538 HE2 LYS 76 HE2 LYS 76 -3.810 54.882 30.875 539 HE3 LYS 76 HE3 LYS 76 -4.167 56.332 31.812 540 HZ1 LYS 76 HZ1 LYS 76 -5.929 54.764 32.101 541 HZ2 LYS 76 HZ2 LYS 76 -6.128 54.582 30.431 542 HZ3 LYS 76 HZ3 LYS 76 -6.522 56.050 31.175 543 H TYR 77 H TYR 77 -5.386 57.730 25.498 544 HA TYR 77 HA TYR 77 -4.356 58.880 23.204 545 HB2 TYR 77 HB2 TYR 77 -6.793 58.373 23.779 546 HB3 TYR 77 HB3 TYR 77 -6.814 59.929 24.601 547 HD1 TYR 77 HD1 TYR 77 -8.110 61.370 23.333 548 HD2 TYR 77 HD2 TYR 77 -5.277 58.879 21.364 549 HE1 TYR 77 HE1 TYR 77 -8.612 62.492 21.203 550 HE2 TYR 77 HE2 TYR 77 -5.771 59.995 19.229 551 HH TYR 77 HH TYR 77 -6.997 61.522 18.190 552 H ARG 78 H ARG 78 -3.068 60.560 22.899 553 HA ARG 78 HA ARG 78 -2.346 62.353 24.964 554 HB2 ARG 78 HB2 ARG 78 -1.883 62.494 21.981 555 HB3 ARG 78 HB3 ARG 78 -1.137 63.572 23.154 556 HG2 ARG 78 HG2 ARG 78 -0.331 61.332 24.243 557 HG3 ARG 78 HG3 ARG 78 -0.616 60.691 22.624 558 HD2 ARG 78 HD2 ARG 78 0.969 63.200 23.000 559 HD3 ARG 78 HD3 ARG 78 1.727 61.627 23.245 560 HE ARG 78 HE ARG 78 0.519 61.413 20.814 561 HH11 ARG 78 HH11 ARG 78 2.800 63.634 22.223 562 HH12 ARG 78 HH12 ARG 78 3.580 63.992 20.718 563 HH21 ARG 78 HH21 ARG 78 1.538 61.876 18.827 564 HH22 ARG 78 HH22 ARG 78 2.861 62.992 18.787 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -0.645 -5.929 8.554 2 HA2 GLY 1 HA2 GLY 1 -1.733 -6.680 6.557 3 HA3 GLY 1 HA3 GLY 1 -2.711 -5.348 7.155 4 H ASP 2 H ASP 2 -3.459 -4.791 5.108 5 HA ASP 2 HA ASP 2 -1.530 -4.066 3.057 6 HB2 ASP 2 HB2 ASP 2 -4.551 -3.897 3.012 7 HB3 ASP 2 HB3 ASP 2 -3.478 -3.703 1.629 8 H CYS 3 H CYS 3 -0.638 -2.354 4.491 9 HA CYS 3 HA CYS 3 -1.547 0.193 3.667 10 HB2 CYS 3 HB2 CYS 3 -2.281 1.127 5.775 11 HB3 CYS 3 HB3 CYS 3 -3.269 -0.282 5.400 12 H ALA 4 H ALA 4 -0.332 1.973 4.918 13 HA ALA 4 HA ALA 4 2.428 1.066 5.206 14 HB1 ALA 4 HB1 ALA 4 2.837 3.608 5.244 15 HB2 ALA 4 HB2 ALA 4 2.329 2.860 3.730 16 HB3 ALA 4 HB3 ALA 4 1.159 3.735 4.718 17 H LYS 5 H LYS 5 3.556 1.127 7.067 18 HA LYS 5 HA LYS 5 2.255 1.227 9.538 19 HB2 LYS 5 HB2 LYS 5 4.689 0.379 8.705 20 HB3 LYS 5 HB3 LYS 5 5.142 1.863 9.531 21 HG2 LYS 5 HG2 LYS 5 3.565 0.843 11.408 22 HG3 LYS 5 HG3 LYS 5 4.047 -0.661 10.621 23 HD2 LYS 5 HD2 LYS 5 6.448 0.327 10.806 24 HD3 LYS 5 HD3 LYS 5 5.732 1.361 12.044 25 HE2 LYS 5 HE2 LYS 5 5.654 -1.655 12.019 26 HE3 LYS 5 HE3 LYS 5 6.747 -0.670 12.991 27 HZ1 LYS 5 HZ1 LYS 5 4.710 0.346 13.991 28 HZ2 LYS 5 HZ2 LYS 5 4.947 -1.285 14.370 29 HZ3 LYS 5 HZ3 LYS 5 3.796 -0.845 13.212 30 H GLU 6 H GLU 6 2.737 2.716 11.348 31 HA GLU 6 HA GLU 6 2.044 5.357 10.706 32 HB2 GLU 6 HB2 GLU 6 1.525 4.398 12.876 33 HB3 GLU 6 HB3 GLU 6 3.235 4.224 13.242 34 HG2 GLU 6 HG2 GLU 6 3.480 6.665 13.186 35 HG3 GLU 6 HG3 GLU 6 1.753 6.817 12.872 36 H GLY 7 H GLY 7 3.276 6.803 9.707 37 HA2 GLY 7 HA2 GLY 7 5.095 8.349 9.787 38 HA3 GLY 7 HA3 GLY 7 6.056 7.125 10.603 39 H GLU 8 H GLU 8 5.189 5.042 8.677 40 HA GLU 8 HA GLU 8 7.330 5.221 6.881 41 HB2 GLU 8 HB2 GLU 8 4.880 3.491 7.011 42 HB3 GLU 8 HB3 GLU 8 5.976 3.380 5.640 43 HG2 GLU 8 HG2 GLU 8 6.712 2.951 8.527 44 HG3 GLU 8 HG3 GLU 8 6.468 1.691 7.318 45 H VAL 9 H VAL 9 7.224 5.272 4.514 46 HA VAL 9 HA VAL 9 5.803 7.567 3.602 47 HB VAL 9 HB VAL 9 7.252 5.542 1.897 48 HG11 VAL 9 HG11 VAL 9 6.537 8.441 1.489 49 HG12 VAL 9 HG12 VAL 9 7.618 7.526 0.436 50 HG13 VAL 9 HG13 VAL 9 5.926 7.052 0.590 51 HG21 VAL 9 HG21 VAL 9 9.108 6.111 2.990 52 HG22 VAL 9 HG22 VAL 9 8.929 7.720 2.290 53 HG23 VAL 9 HG23 VAL 9 8.273 7.377 3.890 54 H CYS 10 H CYS 10 4.211 7.699 1.981 55 HA CYS 10 HA CYS 10 2.651 5.227 1.601 56 HB2 CYS 10 HB2 CYS 10 0.625 6.510 1.685 57 HB3 CYS 10 HB3 CYS 10 1.583 6.935 3.100 58 H SER 11 H SER 11 1.841 4.788 -0.416 59 HA SER 11 HA SER 11 2.529 6.675 -2.568 60 HB2 SER 11 HB2 SER 11 3.035 4.643 -3.989 61 HB3 SER 11 HB3 SER 11 4.195 4.962 -2.699 62 HG SER 11 HG SER 11 3.641 2.773 -2.721 63 H TRP 12 H TRP 12 1.455 5.673 -4.716 64 HA TRP 12 HA TRP 12 -1.291 6.073 -4.459 65 HB2 TRP 12 HB2 TRP 12 0.113 6.259 -6.565 66 HB3 TRP 12 HB3 TRP 12 0.007 4.505 -6.690 67 HD1 TRP 12 HD1 TRP 12 -2.050 7.672 -7.164 68 HE1 TRP 12 HE1 TRP 12 -4.250 7.067 -8.357 69 HE3 TRP 12 HE3 TRP 12 -1.697 2.575 -6.983 70 HZ2 TRP 12 HZ2 TRP 12 -5.650 4.738 -9.119 71 HZ3 TRP 12 HZ3 TRP 12 -3.509 1.232 -7.966 72 HH2 TRP 12 HH2 TRP 12 -5.444 2.293 -9.011 73 H GLY 13 H GLY 13 0.604 3.106 -4.428 74 HA2 GLY 13 HA2 GLY 13 -1.825 1.486 -4.262 75 HA3 GLY 13 HA3 GLY 13 -0.183 0.881 -4.422 76 H LYS 14 H LYS 14 0.678 2.744 -2.219 77 HA LYS 14 HA LYS 14 -0.184 1.013 -0.011 78 HB2 LYS 14 HB2 LYS 14 2.324 1.578 -0.774 79 HB3 LYS 14 HB3 LYS 14 2.068 2.920 0.334 80 HG2 LYS 14 HG2 LYS 14 2.072 1.594 2.160 81 HG3 LYS 14 HG3 LYS 14 1.296 0.249 1.321 82 HD2 LYS 14 HD2 LYS 14 3.362 -0.662 1.520 83 HD3 LYS 14 HD3 LYS 14 3.649 0.259 0.041 84 HE2 LYS 14 HE2 LYS 14 4.639 2.059 1.299 85 HE3 LYS 14 HE3 LYS 14 4.222 1.275 2.822 86 HZ1 LYS 14 HZ1 LYS 14 6.596 1.036 1.959 87 HZ2 LYS 14 HZ2 LYS 14 5.958 -0.064 0.844 88 HZ3 LYS 14 HZ3 LYS 14 5.817 -0.364 2.503 89 H LYS 15 H LYS 15 -1.815 1.823 1.130 90 HA LYS 15 HA LYS 15 -1.922 4.728 1.585 91 HB2 LYS 15 HB2 LYS 15 -4.135 2.691 1.896 92 HB3 LYS 15 HB3 LYS 15 -4.295 4.437 2.046 93 HG2 LYS 15 HG2 LYS 15 -3.431 3.048 -0.479 94 HG3 LYS 15 HG3 LYS 15 -5.101 3.488 -0.114 95 HD2 LYS 15 HD2 LYS 15 -2.857 5.492 -0.100 96 HD3 LYS 15 HD3 LYS 15 -3.783 5.114 -1.554 97 HE2 LYS 15 HE2 LYS 15 -5.244 5.818 0.947 98 HE3 LYS 15 HE3 LYS 15 -4.471 7.106 0.023 99 HZ1 LYS 15 HZ1 LYS 15 -6.411 7.093 -1.078 100 HZ2 LYS 15 HZ2 LYS 15 -6.807 5.515 -0.616 101 HZ3 LYS 15 HZ3 LYS 15 -5.746 5.777 -1.908 102 H CYS 16 H CYS 16 -2.362 5.531 3.675 103 HA CYS 16 HA CYS 16 -1.119 4.044 5.776 104 HB2 CYS 16 HB2 CYS 16 -2.691 6.612 6.034 105 HB3 CYS 16 HB3 CYS 16 -1.460 5.998 7.133 106 H CYS 17 H CYS 17 -2.013 2.805 7.301 107 HA CYS 17 HA CYS 17 -4.579 1.799 7.137 108 HB2 CYS 17 HB2 CYS 17 -2.383 1.681 9.054 109 HB3 CYS 17 HB3 CYS 17 -3.959 1.563 9.830 110 H ASP 18 H ASP 18 -3.380 4.433 9.186 111 HA ASP 18 HA ASP 18 -6.128 5.021 10.018 112 HB2 ASP 18 HB2 ASP 18 -3.723 6.493 11.040 113 HB3 ASP 18 HB3 ASP 18 -5.254 6.169 11.848 114 H LEU 19 H LEU 19 -6.870 5.939 8.076 115 HA LEU 19 HA LEU 19 -5.508 8.181 6.895 116 HB2 LEU 19 HB2 LEU 19 -8.254 7.038 6.409 117 HB3 LEU 19 HB3 LEU 19 -7.510 8.315 5.448 118 HG LEU 19 HG LEU 19 -6.540 5.466 5.677 119 HD11 LEU 19 HD11 LEU 19 -8.367 5.311 4.291 120 HD12 LEU 19 HD12 LEU 19 -7.085 5.667 3.133 121 HD13 LEU 19 HD13 LEU 19 -8.172 6.949 3.668 122 HD21 LEU 19 HD21 LEU 19 -5.500 7.763 4.021 123 HD22 LEU 19 HD22 LEU 19 -4.941 6.092 3.938 124 HD23 LEU 19 HD23 LEU 19 -4.691 7.034 5.409 125 H ASP 20 H ASP 20 -8.239 7.683 9.050 126 HA ASP 20 HA ASP 20 -9.258 10.309 8.999 127 HB2 ASP 20 HB2 ASP 20 -9.357 8.394 11.336 128 HB3 ASP 20 HB3 ASP 20 -10.471 9.714 10.991 129 H ASN 21 H ASN 21 -6.698 8.794 10.873 130 HA ASN 21 HA ASN 21 -6.282 11.229 12.422 131 HB2 ASN 21 HB2 ASN 21 -5.001 8.495 12.532 132 HB3 ASN 21 HB3 ASN 21 -4.479 9.847 13.532 133 HD21 ASN 21 HD21 ASN 21 -7.300 7.893 12.705 134 HD22 ASN 21 HD22 ASN 21 -8.055 8.010 14.255 135 H PHE 22 H PHE 22 -4.302 9.068 10.388 136 HA PHE 22 HA PHE 22 -2.449 11.290 9.921 137 HB2 PHE 22 HB2 PHE 22 -2.065 8.414 9.093 138 HB3 PHE 22 HB3 PHE 22 -0.839 9.668 9.242 139 HD1 PHE 22 HD1 PHE 22 -1.442 6.763 10.588 140 HD2 PHE 22 HD2 PHE 22 -1.459 10.826 11.856 141 HE1 PHE 22 HE1 PHE 22 -0.991 6.041 12.896 142 HE2 PHE 22 HE2 PHE 22 -1.007 10.111 14.166 143 HZ PHE 22 HZ PHE 22 -0.773 7.715 14.689 144 H TYR 23 H TYR 23 -1.665 11.694 7.755 145 HA TYR 23 HA TYR 23 -3.275 10.691 5.551 146 HB2 TYR 23 HB2 TYR 23 -4.025 12.823 4.791 147 HB3 TYR 23 HB3 TYR 23 -4.455 12.717 6.494 148 HD1 TYR 23 HD1 TYR 23 -3.227 14.864 4.097 149 HD2 TYR 23 HD2 TYR 23 -2.421 13.606 8.081 150 HE1 TYR 23 HE1 TYR 23 -2.047 16.980 4.520 151 HE2 TYR 23 HE2 TYR 23 -1.240 15.719 8.516 152 HH TYR 23 HH TYR 23 -0.377 17.573 7.577 153 H CYS 24 H CYS 24 -2.495 11.910 3.450 154 HA CYS 24 HA CYS 24 0.447 11.884 3.540 155 HB2 CYS 24 HB2 CYS 24 -1.454 11.291 1.264 156 HB3 CYS 24 HB3 CYS 24 0.297 11.366 1.098 157 HA PRO 25 HA PRO 25 -0.477 16.292 2.723 158 HB2 PRO 25 HB2 PRO 25 1.798 17.195 3.898 159 HB3 PRO 25 HB3 PRO 25 0.331 16.818 4.809 160 HG2 PRO 25 HG2 PRO 25 2.795 15.164 4.416 161 HG3 PRO 25 HG3 PRO 25 1.850 15.430 5.892 162 HD2 PRO 25 HD2 PRO 25 1.612 13.187 4.395 163 HD3 PRO 25 HD3 PRO 25 0.250 13.880 5.298 164 H MET 26 H MET 26 0.452 17.730 1.249 165 HA MET 26 HA MET 26 2.097 16.528 -0.759 166 HB2 MET 26 HB2 MET 26 1.945 18.786 -1.841 167 HB3 MET 26 HB3 MET 26 0.393 18.042 -1.481 168 HG2 MET 26 HG2 MET 26 1.043 19.558 0.775 169 HG3 MET 26 HG3 MET 26 1.458 20.559 -0.614 170 HE1 MET 26 HE1 MET 26 -1.112 17.788 -0.160 171 HE2 MET 26 HE2 MET 26 -1.662 18.710 1.239 172 HE3 MET 26 HE3 MET 26 -2.677 18.600 -0.199 173 H GLU 27 H GLU 27 4.196 16.216 -0.354 174 HA GLU 27 HA GLU 27 5.917 18.468 0.040 175 HB2 GLU 27 HB2 GLU 27 6.946 17.701 2.135 176 HB3 GLU 27 HB3 GLU 27 5.252 18.117 2.359 177 HG2 GLU 27 HG2 GLU 27 4.723 15.677 2.146 178 HG3 GLU 27 HG3 GLU 27 6.459 15.370 2.189 179 H PHE 28 H PHE 28 8.269 17.523 0.528 180 HA PHE 28 HA PHE 28 9.074 16.127 -1.711 181 HB2 PHE 28 HB2 PHE 28 10.415 16.319 0.992 182 HB3 PHE 28 HB3 PHE 28 11.198 15.691 -0.454 183 HD1 PHE 28 HD1 PHE 28 10.937 18.471 1.545 184 HD2 PHE 28 HD2 PHE 28 10.859 17.368 -2.565 185 HE1 PHE 28 HE1 PHE 28 11.604 20.756 0.923 186 HE2 PHE 28 HE2 PHE 28 11.527 19.651 -3.194 187 HZ PHE 28 HZ PHE 28 11.902 21.348 -1.449 188 H ILE 29 H ILE 29 8.799 14.809 1.593 189 HA ILE 29 HA ILE 29 8.356 12.156 0.386 190 HB ILE 29 HB ILE 29 9.714 12.629 3.038 191 HG12 ILE 29 HG12 ILE 29 11.688 11.654 1.502 192 HG13 ILE 29 HG13 ILE 29 10.791 12.534 0.270 193 HG21 ILE 29 HG21 ILE 29 8.475 10.442 2.459 194 HG22 ILE 29 HG22 ILE 29 9.833 10.142 1.376 195 HG23 ILE 29 HG23 ILE 29 10.112 10.341 3.106 196 HD11 ILE 29 HD11 ILE 29 10.916 14.398 2.212 197 HD12 ILE 29 HD12 ILE 29 12.424 13.528 2.492 198 HD13 ILE 29 HD13 ILE 29 12.095 14.236 0.911 199 HA PRO 30 HA PRO 30 4.542 12.879 2.708 200 HB2 PRO 30 HB2 PRO 30 3.139 10.951 1.410 201 HB3 PRO 30 HB3 PRO 30 3.399 12.566 0.740 202 HG2 PRO 30 HG2 PRO 30 4.850 10.015 0.151 203 HG3 PRO 30 HG3 PRO 30 4.291 11.269 -0.972 204 HD2 PRO 30 HD2 PRO 30 6.866 11.089 -0.154 205 HD3 PRO 30 HD3 PRO 30 6.091 12.640 -0.534 206 H HIS 31 H HIS 31 4.391 12.070 4.697 207 HA HIS 31 HA HIS 31 4.938 9.203 5.100 208 HB2 HIS 31 HB2 HIS 31 5.181 11.435 7.128 209 HB3 HIS 31 HB3 HIS 31 5.604 9.744 7.380 210 HD1 HIS 31 HD1 HIS 31 7.225 12.783 6.897 211 HD2 HIS 31 HD2 HIS 31 7.647 9.046 5.132 212 HE1 HIS 31 HE1 HIS 31 9.538 12.763 5.910 213 H CYS 32 H CYS 32 3.795 8.327 7.111 214 HA CYS 32 HA CYS 32 0.971 9.070 6.901 215 HB2 CYS 32 HB2 CYS 32 2.340 6.610 7.997 216 HB3 CYS 32 HB3 CYS 32 0.604 6.884 8.100 217 H LYS 33 H LYS 33 1.963 11.016 8.240 218 HA LYS 33 HA LYS 33 1.663 10.375 11.100 219 HB2 LYS 33 HB2 LYS 33 2.976 12.376 11.575 220 HB3 LYS 33 HB3 LYS 33 3.869 11.286 10.523 221 HG2 LYS 33 HG2 LYS 33 3.494 12.656 8.631 222 HG3 LYS 33 HG3 LYS 33 2.296 13.628 9.489 223 HD2 LYS 33 HD2 LYS 33 4.251 14.939 9.459 224 HD3 LYS 33 HD3 LYS 33 4.178 14.255 11.084 225 HE2 LYS 33 HE2 LYS 33 5.899 12.746 10.657 226 HE3 LYS 33 HE3 LYS 33 5.705 12.872 8.910 227 HZ1 LYS 33 HZ1 LYS 33 7.324 14.363 8.928 228 HZ2 LYS 33 HZ2 LYS 33 7.391 14.363 10.618 229 HZ3 LYS 33 HZ3 LYS 33 6.334 15.411 9.815 230 H LYS 34 H LYS 34 0.843 12.336 12.384 231 HA LYS 34 HA LYS 34 -1.666 13.151 11.178 232 HB2 LYS 34 HB2 LYS 34 -2.281 13.904 13.396 233 HB3 LYS 34 HB3 LYS 34 -1.589 12.290 13.498 234 HG2 LYS 34 HG2 LYS 34 0.626 13.681 13.939 235 HG3 LYS 34 HG3 LYS 34 -0.547 14.873 14.504 236 HD2 LYS 34 HD2 LYS 34 -0.351 12.014 15.452 237 HD3 LYS 34 HD3 LYS 34 0.240 13.429 16.326 238 HE2 LYS 34 HE2 LYS 34 -2.272 14.217 15.942 239 HE3 LYS 34 HE3 LYS 34 -2.537 12.475 15.891 240 HZ1 LYS 34 HZ1 LYS 34 -2.142 12.271 18.072 241 HZ2 LYS 34 HZ2 LYS 34 -2.475 13.927 18.139 242 HZ3 LYS 34 HZ3 LYS 34 -0.872 13.389 18.072 243 H TYR 35 H TYR 35 -2.426 15.390 11.348 244 HA TYR 35 HA TYR 35 -0.791 17.201 10.060 245 HB2 TYR 35 HB2 TYR 35 -3.293 17.473 11.675 246 HB3 TYR 35 HB3 TYR 35 -2.447 18.931 11.167 247 HD1 TYR 35 HD1 TYR 35 -4.259 15.947 9.997 248 HD2 TYR 35 HD2 TYR 35 -2.458 19.635 8.874 249 HE1 TYR 35 HE1 TYR 35 -5.345 15.801 7.795 250 HE2 TYR 35 HE2 TYR 35 -3.540 19.499 6.669 251 HH TYR 35 HH TYR 35 -6.039 17.812 5.949 252 H LYS 36 H LYS 36 0.186 19.187 10.770 253 HA LYS 36 HA LYS 36 1.595 18.852 13.288 254 HB2 LYS 36 HB2 LYS 36 1.940 20.577 10.870 255 HB3 LYS 36 HB3 LYS 36 2.689 21.073 12.382 256 HG2 LYS 36 HG2 LYS 36 3.840 18.889 12.484 257 HG3 LYS 36 HG3 LYS 36 3.153 18.489 10.908 258 HD2 LYS 36 HD2 LYS 36 5.330 19.289 10.473 259 HD3 LYS 36 HD3 LYS 36 4.243 20.615 10.054 260 HE2 LYS 36 HE2 LYS 36 4.684 21.660 12.220 261 HE3 LYS 36 HE3 LYS 36 5.759 20.330 12.647 262 HZ1 LYS 36 HZ1 LYS 36 6.774 22.477 11.726 263 HZ2 LYS 36 HZ2 LYS 36 6.240 21.930 10.217 264 HZ3 LYS 36 HZ3 LYS 36 7.336 21.003 11.113 265 HA PRO 37 HA PRO 37 -0.619 21.801 15.665 266 HB2 PRO 37 HB2 PRO 37 1.363 23.046 17.040 267 HB3 PRO 37 HB3 PRO 37 0.856 21.386 17.377 268 HG2 PRO 37 HG2 PRO 37 3.190 22.366 15.779 269 HG3 PRO 37 HG3 PRO 37 3.117 21.041 16.955 270 HD2 PRO 37 HD2 PRO 37 3.053 20.619 14.281 271 HD3 PRO 37 HD3 PRO 37 2.200 19.572 15.434 272 H TYR 38 H TYR 38 -1.581 23.608 15.005 273 HA TYR 38 HA TYR 38 -0.608 25.325 13.044 274 HB2 TYR 38 HB2 TYR 38 -3.017 24.997 14.062 275 HB3 TYR 38 HB3 TYR 38 -2.541 26.348 15.085 276 HD1 TYR 38 HD1 TYR 38 -3.492 25.310 11.730 277 HD2 TYR 38 HD2 TYR 38 -2.077 28.554 14.091 278 HE1 TYR 38 HE1 TYR 38 -4.100 26.875 9.933 279 HE2 TYR 38 HE2 TYR 38 -2.682 30.129 12.302 280 HH TYR 38 HH TYR 38 -4.621 29.227 9.640 281 H VAL 39 H VAL 39 0.421 27.284 13.057 282 HA VAL 39 HA VAL 39 1.406 28.254 15.660 283 HB VAL 39 HB VAL 39 2.986 28.164 13.086 284 HG11 VAL 39 HG11 VAL 39 3.460 30.127 14.509 285 HG12 VAL 39 HG12 VAL 39 3.845 29.037 15.842 286 HG13 VAL 39 HG13 VAL 39 4.833 29.028 14.381 287 HG21 VAL 39 HG21 VAL 39 3.369 26.606 15.640 288 HG22 VAL 39 HG22 VAL 39 2.712 25.956 14.138 289 HG23 VAL 39 HG23 VAL 39 4.382 26.519 14.200 290 HA PRO 40 HA PRO 40 -0.365 32.087 14.340 291 HB2 PRO 40 HB2 PRO 40 0.765 33.665 16.238 292 HB3 PRO 40 HB3 PRO 40 -0.580 32.569 16.576 293 HG2 PRO 40 HG2 PRO 40 2.347 32.185 17.074 294 HG3 PRO 40 HG3 PRO 40 0.972 31.795 18.125 295 HD2 PRO 40 HD2 PRO 40 2.248 29.924 16.640 296 HD3 PRO 40 HD3 PRO 40 0.513 29.832 17.007 297 H VAL 41 H VAL 41 0.266 33.313 12.688 298 HA VAL 41 HA VAL 41 3.039 33.588 11.995 299 HB VAL 41 HB VAL 41 0.630 34.922 10.750 300 HG11 VAL 41 HG11 VAL 41 2.438 34.694 8.768 301 HG12 VAL 41 HG12 VAL 41 2.277 36.128 9.785 302 HG13 VAL 41 HG13 VAL 41 3.516 34.924 10.145 303 HG21 VAL 41 HG21 VAL 41 1.696 32.199 10.581 304 HG22 VAL 41 HG22 VAL 41 0.098 32.821 10.166 305 HG23 VAL 41 HG23 VAL 41 1.429 32.972 9.019 306 H THR 42 H THR 42 4.328 35.375 12.103 307 HA THR 42 HA THR 42 3.987 37.205 14.161 308 HB THR 42 HB THR 42 5.811 38.516 13.107 309 HG1 THR 42 HG1 THR 42 6.561 37.963 11.105 310 HG21 THR 42 HG21 THR 42 6.197 35.521 13.148 311 HG22 THR 42 HG22 THR 42 6.404 36.630 14.503 312 HG23 THR 42 HG23 THR 42 7.504 36.704 13.127 313 H THR 43 H THR 43 3.831 39.582 13.997 314 HA THR 43 HA THR 43 2.726 41.491 13.431 315 HB THR 43 HB THR 43 2.153 40.550 10.662 316 HG1 THR 43 HG1 THR 43 4.305 40.762 10.076 317 HG21 THR 43 HG21 THR 43 3.107 42.876 10.217 318 HG22 THR 43 HG22 THR 43 3.069 43.102 11.966 319 HG23 THR 43 HG23 THR 43 1.574 42.796 11.083 320 H SER 44 H SER 44 1.268 39.315 14.546 321 HA SER 44 HA SER 44 -1.227 39.030 13.161 322 HB2 SER 44 HB2 SER 44 -0.104 37.422 14.888 323 HB3 SER 44 HB3 SER 44 -0.888 38.451 16.088 324 HG SER 44 HG SER 44 -2.864 37.908 15.254 325 H PHE 45 H PHE 45 -3.316 39.585 14.272 326 HA PHE 45 HA PHE 45 -3.267 42.398 14.958 327 HB2 PHE 45 HB2 PHE 45 -5.481 40.431 14.401 328 HB3 PHE 45 HB3 PHE 45 -5.807 42.061 14.979 329 HD1 PHE 45 HD1 PHE 45 -5.500 40.066 12.140 330 HD2 PHE 45 HD2 PHE 45 -4.567 43.956 13.594 331 HE1 PHE 45 HE1 PHE 45 -5.389 40.900 9.828 332 HE2 PHE 45 HE2 PHE 45 -4.456 44.796 11.284 333 HZ PHE 45 HZ PHE 45 -4.868 43.268 9.398 334 H ASN 46 H ASN 46 -4.543 43.230 16.786 335 HA ASN 46 HA ASN 46 -5.310 41.596 18.956 336 HB2 ASN 46 HB2 ASN 46 -2.708 41.485 18.936 337 HB3 ASN 46 HB3 ASN 46 -2.799 43.121 19.583 338 HD21 ASN 46 HD21 ASN 46 -2.053 42.718 21.595 339 HD22 ASN 46 HD22 ASN 46 -2.861 41.712 22.744 340 H CYS 47 H CYS 47 -6.073 42.819 20.774 341 HA CYS 47 HA CYS 47 -7.303 45.244 20.066 342 HB2 CYS 47 HB2 CYS 47 -7.987 45.373 22.421 343 HB3 CYS 47 HB3 CYS 47 -8.219 43.750 21.779 344 H ALA 48 H ALA 48 -7.083 47.289 21.381 345 HA ALA 48 HA ALA 48 -4.271 48.067 21.386 346 HB1 ALA 48 HB1 ALA 48 -5.298 50.391 21.695 347 HB2 ALA 48 HB2 ALA 48 -5.565 49.575 20.153 348 HB3 ALA 48 HB3 ALA 48 -6.845 49.610 21.366 349 H LYS 49 H LYS 49 -3.187 47.880 23.227 350 HA LYS 49 HA LYS 49 -4.504 47.775 25.778 351 HB2 LYS 49 HB2 LYS 49 -1.583 47.782 25.006 352 HB3 LYS 49 HB3 LYS 49 -2.157 47.613 26.660 353 HG2 LYS 49 HG2 LYS 49 -3.184 45.745 24.582 354 HG3 LYS 49 HG3 LYS 49 -1.555 45.514 25.222 355 HD2 LYS 49 HD2 LYS 49 -3.817 45.925 27.123 356 HD3 LYS 49 HD3 LYS 49 -3.623 44.350 26.349 357 HE2 LYS 49 HE2 LYS 49 -2.347 44.030 28.217 358 HE3 LYS 49 HE3 LYS 49 -1.122 44.663 27.119 359 HZ1 LYS 49 HZ1 LYS 49 -1.788 45.665 29.584 360 HZ2 LYS 49 HZ2 LYS 49 -2.476 46.758 28.492 361 HZ3 LYS 49 HZ3 LYS 49 -0.820 46.420 28.419 362 H GLU 50 H GLU 50 -3.594 49.121 27.628 363 HA GLU 50 HA GLU 50 -4.266 51.778 27.313 364 HB2 GLU 50 HB2 GLU 50 -3.788 50.306 29.453 365 HB3 GLU 50 HB3 GLU 50 -2.201 51.054 29.347 366 HG2 GLU 50 HG2 GLU 50 -3.767 53.229 29.103 367 HG3 GLU 50 HG3 GLU 50 -4.794 52.210 30.110 368 H GLY 51 H GLY 51 -3.312 53.484 26.415 369 HA2 GLY 51 HA2 GLY 51 -1.393 54.916 26.155 370 HA3 GLY 51 HA3 GLY 51 -0.379 53.481 26.148 371 H GLU 52 H GLU 52 -2.200 52.051 24.321 372 HA GLU 52 HA GLU 52 -0.982 52.767 21.887 373 HB2 GLU 52 HB2 GLU 52 -3.473 51.109 22.318 374 HB3 GLU 52 HB3 GLU 52 -2.493 51.139 20.859 375 HG2 GLU 52 HG2 GLU 52 -1.537 50.226 23.562 376 HG3 GLU 52 HG3 GLU 52 -2.072 49.165 22.260 377 H VAL 53 H VAL 53 -1.981 53.540 19.935 378 HA VAL 53 HA VAL 53 -3.858 55.700 20.472 379 HB VAL 53 HB VAL 53 -2.484 55.046 17.866 380 HG11 VAL 53 HG11 VAL 53 -4.321 56.490 17.483 381 HG12 VAL 53 HG12 VAL 53 -3.937 57.470 18.899 382 HG13 VAL 53 HG13 VAL 53 -2.882 57.509 17.486 383 HG21 VAL 53 HG21 VAL 53 -0.577 55.665 18.832 384 HG22 VAL 53 HG22 VAL 53 -1.265 57.280 18.997 385 HG23 VAL 53 HG23 VAL 53 -1.406 56.122 20.320 386 H CYS 54 H CYS 54 -5.800 56.004 19.337 387 HA CYS 54 HA CYS 54 -6.884 53.557 18.102 388 HB2 CYS 54 HB2 CYS 54 -8.474 55.684 19.545 389 HB3 CYS 54 HB3 CYS 54 -9.049 54.117 18.984 390 H GLY 55 H GLY 55 -8.163 53.751 16.263 391 HA2 GLY 55 HA2 GLY 55 -9.399 55.686 14.991 392 HA3 GLY 55 HA3 GLY 55 -7.745 56.244 14.783 393 H TRP 56 H TRP 56 -6.634 53.570 14.528 394 HA TRP 56 HA TRP 56 -7.313 53.153 11.728 395 HB2 TRP 56 HB2 TRP 56 -5.050 52.252 13.492 396 HB3 TRP 56 HB3 TRP 56 -5.323 51.509 11.919 397 HD1 TRP 56 HD1 TRP 56 -3.884 54.587 13.544 398 HE1 TRP 56 HE1 TRP 56 -2.880 56.122 11.738 399 HE3 TRP 56 HE3 TRP 56 -5.711 52.246 9.382 400 HZ2 TRP 56 HZ2 TRP 56 -2.866 56.315 8.922 401 HZ3 TRP 56 HZ3 TRP 56 -5.156 53.170 7.170 402 HH2 TRP 56 HH2 TRP 56 -3.763 55.163 6.947 403 H GLY 57 H GLY 57 -9.400 52.371 13.277 404 HA2 GLY 57 HA2 GLY 57 -10.837 50.603 13.562 405 HA3 GLY 57 HA3 GLY 57 -9.787 49.690 12.488 406 H SER 58 H SER 58 -8.720 51.109 15.511 407 HA SER 58 HA SER 58 -8.342 48.384 16.565 408 HB2 SER 58 HB2 SER 58 -6.368 50.131 16.073 409 HB3 SER 58 HB3 SER 58 -6.789 50.650 17.705 410 HG SER 58 HG SER 58 -6.426 47.918 17.160 411 H LYS 59 H LYS 59 -9.594 47.852 18.215 412 HA LYS 59 HA LYS 59 -10.840 49.979 19.805 413 HB2 LYS 59 HB2 LYS 59 -11.568 47.055 19.848 414 HB3 LYS 59 HB3 LYS 59 -12.535 48.421 20.387 415 HG2 LYS 59 HG2 LYS 59 -11.766 47.886 17.526 416 HG3 LYS 59 HG3 LYS 59 -13.313 47.454 18.258 417 HD2 LYS 59 HD2 LYS 59 -12.415 50.270 18.520 418 HD3 LYS 59 HD3 LYS 59 -12.947 49.731 16.925 419 HE2 LYS 59 HE2 LYS 59 -14.901 50.532 17.894 420 HE3 LYS 59 HE3 LYS 59 -14.999 48.794 18.171 421 HZ1 LYS 59 HZ1 LYS 59 -13.741 50.441 20.236 422 HZ2 LYS 59 HZ2 LYS 59 -14.664 49.033 20.393 423 HZ3 LYS 59 HZ3 LYS 59 -15.425 50.513 20.090 424 H CYS 60 H CYS 60 -10.490 50.205 21.948 425 HA CYS 60 HA CYS 60 -8.184 49.188 23.134 426 HB2 CYS 60 HB2 CYS 60 -10.666 50.391 24.366 427 HB3 CYS 60 HB3 CYS 60 -9.215 50.011 25.289 428 H CYS 61 H CYS 61 -7.807 47.607 24.689 429 HA CYS 61 HA CYS 61 -9.254 45.209 24.413 430 HB2 CYS 61 HB2 CYS 61 -7.382 45.926 26.675 431 HB3 CYS 61 HB3 CYS 61 -7.790 44.312 26.104 432 H HIS 62 H HIS 62 -10.072 43.973 26.398 433 HA HIS 62 HA HIS 62 -12.381 45.205 27.360 434 HB2 HIS 62 HB2 HIS 62 -12.483 43.283 28.964 435 HB3 HIS 62 HB3 HIS 62 -12.244 42.806 27.286 436 HD1 HIS 62 HD1 HIS 62 -10.613 42.761 30.623 437 HD2 HIS 62 HD2 HIS 62 -9.696 41.724 26.705 438 HE1 HIS 62 HE1 HIS 62 -8.529 41.360 30.768 439 H GLY 63 H GLY 63 -12.709 46.667 28.898 440 HA2 GLY 63 HA2 GLY 63 -12.503 47.546 31.079 441 HA3 GLY 63 HA3 GLY 63 -10.964 46.714 31.244 442 H LEU 64 H LEU 64 -11.448 48.444 28.324 443 HA LEU 64 HA LEU 64 -10.111 50.830 29.359 444 HB2 LEU 64 HB2 LEU 64 -9.081 49.100 27.120 445 HB3 LEU 64 HB3 LEU 64 -8.536 50.751 27.407 446 HG LEU 64 HG LEU 64 -8.319 48.747 29.608 447 HD11 LEU 64 HD11 LEU 64 -6.311 47.842 28.812 448 HD12 LEU 64 HD12 LEU 64 -6.181 49.036 27.521 449 HD13 LEU 64 HD13 LEU 64 -7.409 47.774 27.433 450 HD21 LEU 64 HD21 LEU 64 -7.211 51.375 28.883 451 HD22 LEU 64 HD22 LEU 64 -6.066 50.241 29.600 452 HD23 LEU 64 HD23 LEU 64 -7.539 50.676 30.469 453 H ASP 65 H ASP 65 -10.124 52.627 27.818 454 HA ASP 65 HA ASP 65 -11.925 52.411 25.553 455 HB2 ASP 65 HB2 ASP 65 -13.252 52.898 27.740 456 HB3 ASP 65 HB3 ASP 65 -12.570 54.515 27.595 457 H CYS 66 H CYS 66 -11.964 54.373 24.243 458 HA CYS 66 HA CYS 66 -9.528 55.988 24.627 459 HB2 CYS 66 HB2 CYS 66 -10.347 54.388 22.416 460 HB3 CYS 66 HB3 CYS 66 -10.391 56.074 21.909 461 HA PRO 67 HA PRO 67 -12.245 59.466 24.891 462 HB2 PRO 67 HB2 PRO 67 -10.363 61.403 24.615 463 HB3 PRO 67 HB3 PRO 67 -10.573 60.473 26.103 464 HG2 PRO 67 HG2 PRO 67 -8.576 60.103 23.903 465 HG3 PRO 67 HG3 PRO 67 -8.334 60.027 25.658 466 HD2 PRO 67 HD2 PRO 67 -8.576 57.809 24.124 467 HD3 PRO 67 HD3 PRO 67 -9.146 57.875 25.804 468 H LEU 68 H LEU 68 -12.817 61.411 23.628 469 HA LEU 68 HA LEU 68 -12.561 60.863 20.765 470 HB2 LEU 68 HB2 LEU 68 -14.530 62.316 22.462 471 HB3 LEU 68 HB3 LEU 68 -14.366 62.781 20.771 472 HG LEU 68 HG LEU 68 -15.018 60.579 20.049 473 HD11 LEU 68 HD11 LEU 68 -13.937 59.314 21.858 474 HD12 LEU 68 HD12 LEU 68 -15.609 58.817 21.600 475 HD13 LEU 68 HD13 LEU 68 -15.198 59.849 22.969 476 HD21 LEU 68 HD21 LEU 68 -17.027 61.075 22.174 477 HD22 LEU 68 HD22 LEU 68 -17.246 60.818 20.443 478 HD23 LEU 68 HD23 LEU 68 -16.695 62.384 21.040 479 H ALA 69 H ALA 69 -10.610 61.741 20.192 480 HA ALA 69 HA ALA 69 -10.532 64.605 19.920 481 HB1 ALA 69 HB1 ALA 69 -8.475 63.229 21.644 482 HB2 ALA 69 HB2 ALA 69 -8.364 64.891 21.062 483 HB3 ALA 69 HB3 ALA 69 -9.659 64.429 22.166 484 H PHE 70 H PHE 70 -8.040 65.094 19.140 485 HA PHE 70 HA PHE 70 -7.858 64.082 16.574 486 HB2 PHE 70 HB2 PHE 70 -5.540 65.088 18.236 487 HB3 PHE 70 HB3 PHE 70 -5.638 65.056 16.479 488 HD1 PHE 70 HD1 PHE 70 -5.562 67.245 18.999 489 HD2 PHE 70 HD2 PHE 70 -8.157 66.163 15.803 490 HE1 PHE 70 HE1 PHE 70 -6.524 69.510 19.018 491 HE2 PHE 70 HE2 PHE 70 -9.122 68.426 15.817 492 HZ PHE 70 HZ PHE 70 -8.306 70.103 17.425 493 H ILE 71 H ILE 71 -5.611 63.268 19.225 494 HA ILE 71 HA ILE 71 -5.415 60.553 18.101 495 HB ILE 71 HB ILE 71 -3.102 62.096 19.277 496 HG12 ILE 71 HG12 ILE 71 -2.401 61.656 16.703 497 HG13 ILE 71 HG13 ILE 71 -4.139 61.856 16.513 498 HG21 ILE 71 HG21 ILE 71 -3.049 59.635 19.558 499 HG22 ILE 71 HG22 ILE 71 -3.136 59.467 17.805 500 HG23 ILE 71 HG23 ILE 71 -1.741 60.250 18.547 501 HD11 ILE 71 HD11 ILE 71 -3.468 64.009 16.260 502 HD12 ILE 71 HD12 ILE 71 -3.694 63.983 18.009 503 HD13 ILE 71 HD13 ILE 71 -2.076 63.820 17.326 504 HA PRO 72 HA PRO 72 -6.624 60.259 22.536 505 HB2 PRO 72 HB2 PRO 72 -8.266 58.129 22.164 506 HB3 PRO 72 HB3 PRO 72 -8.792 59.800 21.927 507 HG2 PRO 72 HG2 PRO 72 -7.931 57.779 19.893 508 HG3 PRO 72 HG3 PRO 72 -9.288 58.918 19.833 509 HD2 PRO 72 HD2 PRO 72 -6.949 59.371 18.548 510 HD3 PRO 72 HD3 PRO 72 -7.943 60.684 19.211 511 H TYR 73 H TYR 73 -6.471 58.345 24.000 512 HA TYR 73 HA TYR 73 -4.758 56.194 23.015 513 HB2 TYR 73 HB2 TYR 73 -4.017 57.808 25.459 514 HB3 TYR 73 HB3 TYR 73 -3.097 56.496 24.732 515 HD1 TYR 73 HD1 TYR 73 -2.362 56.885 22.243 516 HD2 TYR 73 HD2 TYR 73 -3.469 59.995 24.928 517 HE1 TYR 73 HE1 TYR 73 -1.133 58.507 20.862 518 HE2 TYR 73 HE2 TYR 73 -2.243 61.626 23.554 519 HH TYR 73 HH TYR 73 -0.987 60.821 20.431 520 H CYS 74 H CYS 74 -5.246 54.277 23.894 521 HA CYS 74 HA CYS 74 -7.529 53.836 25.376 522 HB2 CYS 74 HB2 CYS 74 -5.043 52.179 24.998 523 HB3 CYS 74 HB3 CYS 74 -6.399 51.595 25.958 524 H GLU 75 H GLU 75 -8.046 53.707 27.502 525 HA GLU 75 HA GLU 75 -6.010 53.694 29.549 526 HB2 GLU 75 HB2 GLU 75 -6.639 55.776 30.596 527 HB3 GLU 75 HB3 GLU 75 -6.168 56.092 28.932 528 HG2 GLU 75 HG2 GLU 75 -8.542 56.165 28.296 529 HG3 GLU 75 HG3 GLU 75 -8.981 55.921 29.986 530 H LYS 76 H LYS 76 -6.834 53.251 31.636 531 HA LYS 76 HA LYS 76 -8.944 51.480 31.778 532 HB2 LYS 76 HB2 LYS 76 -7.865 53.241 33.987 533 HB3 LYS 76 HB3 LYS 76 -8.865 51.814 34.226 534 HG2 LYS 76 HG2 LYS 76 -6.248 51.663 32.775 535 HG3 LYS 76 HG3 LYS 76 -6.340 51.581 34.536 536 HD2 LYS 76 HD2 LYS 76 -8.033 49.713 34.208 537 HD3 LYS 76 HD3 LYS 76 -7.533 49.696 32.516 538 HE2 LYS 76 HE2 LYS 76 -5.143 49.476 33.453 539 HE3 LYS 76 HE3 LYS 76 -5.934 49.027 34.963 540 HZ1 LYS 76 HZ1 LYS 76 -5.481 47.450 32.663 541 HZ2 LYS 76 HZ2 LYS 76 -7.142 47.535 32.969 542 HZ3 LYS 76 HZ3 LYS 76 -6.088 46.980 34.170 543 H TYR 77 H TYR 77 -11.052 51.745 31.519 544 HA TYR 77 HA TYR 77 -12.345 54.187 31.217 545 HB2 TYR 77 HB2 TYR 77 -13.328 52.165 30.348 546 HB3 TYR 77 HB3 TYR 77 -13.463 51.479 31.964 547 HD1 TYR 77 HD1 TYR 77 -15.720 51.219 32.414 548 HD2 TYR 77 HD2 TYR 77 -14.382 54.851 30.647 549 HE1 TYR 77 HE1 TYR 77 -17.988 52.148 32.621 550 HE2 TYR 77 HE2 TYR 77 -16.646 55.791 30.851 551 HH TYR 77 HH TYR 77 -18.666 55.501 31.971 552 H ARG 78 H ARG 78 -13.394 55.567 32.552 553 HA ARG 78 HA ARG 78 -13.100 55.083 35.430 554 HB2 ARG 78 HB2 ARG 78 -12.245 57.206 34.143 555 HB3 ARG 78 HB3 ARG 78 -13.922 57.719 34.276 556 HG2 ARG 78 HG2 ARG 78 -12.893 58.679 36.123 557 HG3 ARG 78 HG3 ARG 78 -13.671 57.237 36.779 558 HD2 ARG 78 HD2 ARG 78 -11.446 56.062 36.418 559 HD3 ARG 78 HD3 ARG 78 -10.763 57.665 36.151 560 HE ARG 78 HE ARG 78 -12.040 57.917 38.524 561 HH11 ARG 78 HH11 ARG 78 -9.694 55.663 37.287 562 HH12 ARG 78 HH12 ARG 78 -8.973 55.363 38.834 563 HH21 ARG 78 HH21 ARG 78 -11.099 57.532 40.566 564 HH22 ARG 78 HH22 ARG 78 -9.774 56.426 40.698 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -1.670 11.866 -7.376 2 HA2 GLY 1 HA2 GLY 1 0.135 14.184 -7.241 3 HA3 GLY 1 HA3 GLY 1 -1.264 13.917 -6.212 4 H ASP 2 H ASP 2 0.453 14.533 -4.592 5 HA ASP 2 HA ASP 2 1.534 12.075 -3.457 6 HB2 ASP 2 HB2 ASP 2 3.184 14.466 -4.236 7 HB3 ASP 2 HB3 ASP 2 3.687 13.408 -2.920 8 H CYS 3 H CYS 3 2.659 12.743 -1.243 9 HA CYS 3 HA CYS 3 1.601 15.001 0.118 10 HB2 CYS 3 HB2 CYS 3 0.098 13.810 1.668 11 HB3 CYS 3 HB3 CYS 3 -0.480 13.730 0.007 12 H ALA 4 H ALA 4 1.990 14.796 2.543 13 HA ALA 4 HA ALA 4 4.577 13.482 2.915 14 HB1 ALA 4 HB1 ALA 4 4.036 14.992 5.186 15 HB2 ALA 4 HB2 ALA 4 5.074 15.445 3.834 16 HB3 ALA 4 HB3 ALA 4 3.381 15.939 3.850 17 H LYS 5 H LYS 5 5.038 12.422 4.976 18 HA LYS 5 HA LYS 5 2.945 10.582 5.670 19 HB2 LYS 5 HB2 LYS 5 5.826 10.913 6.397 20 HB3 LYS 5 HB3 LYS 5 4.808 9.893 7.406 21 HG2 LYS 5 HG2 LYS 5 4.832 9.483 4.452 22 HG3 LYS 5 HG3 LYS 5 6.158 8.862 5.438 23 HD2 LYS 5 HD2 LYS 5 3.275 8.296 6.080 24 HD3 LYS 5 HD3 LYS 5 4.213 7.280 4.984 25 HE2 LYS 5 HE2 LYS 5 5.928 7.180 6.909 26 HE3 LYS 5 HE3 LYS 5 4.602 7.755 7.919 27 HZ1 LYS 5 HZ1 LYS 5 5.094 5.176 7.394 28 HZ2 LYS 5 HZ2 LYS 5 3.943 5.522 6.205 29 HZ3 LYS 5 HZ3 LYS 5 3.577 5.780 7.836 30 H GLU 6 H GLU 6 2.692 10.053 8.108 31 HA GLU 6 HA GLU 6 1.507 12.330 9.335 32 HB2 GLU 6 HB2 GLU 6 0.497 10.195 9.709 33 HB3 GLU 6 HB3 GLU 6 2.005 9.518 10.308 34 HG2 GLU 6 HG2 GLU 6 1.888 10.893 12.284 35 HG3 GLU 6 HG3 GLU 6 0.448 11.704 11.670 36 H GLY 7 H GLY 7 2.521 13.865 10.434 37 HA2 GLY 7 HA2 GLY 7 3.816 14.658 12.241 38 HA3 GLY 7 HA3 GLY 7 4.682 13.129 12.262 39 H GLU 8 H GLU 8 5.106 13.233 9.328 40 HA GLU 8 HA GLU 8 7.637 14.444 9.324 41 HB2 GLU 8 HB2 GLU 8 5.834 13.409 7.158 42 HB3 GLU 8 HB3 GLU 8 7.340 14.220 6.752 43 HG2 GLU 8 HG2 GLU 8 7.011 11.715 8.382 44 HG3 GLU 8 HG3 GLU 8 7.704 11.856 6.768 45 H VAL 9 H VAL 9 8.414 16.321 8.334 46 HA VAL 9 HA VAL 9 6.823 18.619 8.612 47 HB VAL 9 HB VAL 9 9.335 18.410 6.953 48 HG11 VAL 9 HG11 VAL 9 9.417 20.811 8.192 49 HG12 VAL 9 HG12 VAL 9 8.750 20.553 6.578 50 HG13 VAL 9 HG13 VAL 9 7.678 20.615 7.978 51 HG21 VAL 9 HG21 VAL 9 10.148 19.356 9.367 52 HG22 VAL 9 HG22 VAL 9 8.917 18.189 9.851 53 HG23 VAL 9 HG23 VAL 9 10.279 17.672 8.857 54 H CYS 10 H CYS 10 6.001 20.068 7.060 55 HA CYS 10 HA CYS 10 5.412 18.821 4.456 56 HB2 CYS 10 HB2 CYS 10 3.322 20.001 4.425 57 HB3 CYS 10 HB3 CYS 10 3.458 19.199 5.986 58 H SER 11 H SER 11 5.675 19.991 2.593 59 HA SER 11 HA SER 11 7.022 22.595 2.894 60 HB2 SER 11 HB2 SER 11 8.147 22.089 0.743 61 HB3 SER 11 HB3 SER 11 8.519 20.896 1.987 62 HG SER 11 HG SER 11 7.973 19.985 -0.085 63 H TRP 12 H TRP 12 6.955 23.600 0.424 64 HA TRP 12 HA TRP 12 4.339 24.601 0.175 65 HB2 TRP 12 HB2 TRP 12 6.331 25.844 -0.561 66 HB3 TRP 12 HB3 TRP 12 6.593 24.666 -1.844 67 HD1 TRP 12 HD1 TRP 12 4.691 27.801 -1.048 68 HE1 TRP 12 HE1 TRP 12 3.254 28.481 -3.073 69 HE3 TRP 12 HE3 TRP 12 5.176 23.553 -3.852 70 HZ2 TRP 12 HZ2 TRP 12 2.435 27.365 -5.532 71 HZ3 TRP 12 HZ3 TRP 12 4.034 23.440 -6.028 72 HH2 TRP 12 HH2 TRP 12 2.691 25.307 -6.849 73 H GLY 13 H GLY 13 6.038 22.000 -1.474 74 HA2 GLY 13 HA2 GLY 13 3.702 21.540 -3.194 75 HA3 GLY 13 HA3 GLY 13 5.293 20.823 -3.406 76 H LYS 14 H LYS 14 5.368 20.210 -0.459 77 HA LYS 14 HA LYS 14 3.809 17.732 -0.635 78 HB2 LYS 14 HB2 LYS 14 6.401 17.956 -0.109 79 HB3 LYS 14 HB3 LYS 14 5.808 18.203 1.528 80 HG2 LYS 14 HG2 LYS 14 5.510 16.029 1.798 81 HG3 LYS 14 HG3 LYS 14 4.486 15.949 0.362 82 HD2 LYS 14 HD2 LYS 14 6.232 14.491 -0.139 83 HD3 LYS 14 HD3 LYS 14 6.705 15.984 -0.952 84 HE2 LYS 14 HE2 LYS 14 8.669 15.605 0.093 85 HE3 LYS 14 HE3 LYS 14 7.850 16.378 1.450 86 HZ1 LYS 14 HZ1 LYS 14 7.090 13.908 1.874 87 HZ2 LYS 14 HZ2 LYS 14 8.566 14.493 2.458 88 HZ3 LYS 14 HZ3 LYS 14 8.524 13.564 1.044 89 H LYS 15 H LYS 15 1.838 17.972 0.216 90 HA LYS 15 HA LYS 15 1.566 19.461 2.739 91 HB2 LYS 15 HB2 LYS 15 -0.450 18.781 0.598 92 HB3 LYS 15 HB3 LYS 15 -0.893 19.466 2.156 93 HG2 LYS 15 HG2 LYS 15 0.944 20.759 0.150 94 HG3 LYS 15 HG3 LYS 15 -0.760 21.157 0.386 95 HD2 LYS 15 HD2 LYS 15 -0.188 21.674 2.786 96 HD3 LYS 15 HD3 LYS 15 1.511 21.526 2.331 97 HE2 LYS 15 HE2 LYS 15 1.286 23.328 0.744 98 HE3 LYS 15 HE3 LYS 15 -0.450 23.417 1.038 99 HZ1 LYS 15 HZ1 LYS 15 0.719 23.682 3.509 100 HZ2 LYS 15 HZ2 LYS 15 0.017 24.914 2.587 101 HZ3 LYS 15 HZ3 LYS 15 1.680 24.624 2.484 102 H CYS 16 H CYS 16 0.121 18.601 4.367 103 HA CYS 16 HA CYS 16 0.650 15.947 5.038 104 HB2 CYS 16 HB2 CYS 16 -1.673 17.625 6.005 105 HB3 CYS 16 HB3 CYS 16 -0.979 16.228 6.821 106 H CYS 17 H CYS 17 -0.134 14.096 4.300 107 HA CYS 17 HA CYS 17 -1.981 13.834 2.265 108 HB2 CYS 17 HB2 CYS 17 -0.359 12.115 3.674 109 HB3 CYS 17 HB3 CYS 17 -1.970 11.558 4.114 110 H ASP 18 H ASP 18 -2.504 13.878 5.740 111 HA ASP 18 HA ASP 18 -5.407 13.723 5.257 112 HB2 ASP 18 HB2 ASP 18 -3.699 12.767 7.528 113 HB3 ASP 18 HB3 ASP 18 -5.388 13.176 7.816 114 H LEU 19 H LEU 19 -6.000 15.818 5.045 115 HA LEU 19 HA LEU 19 -4.911 17.882 6.736 116 HB2 LEU 19 HB2 LEU 19 -7.207 17.984 4.785 117 HB3 LEU 19 HB3 LEU 19 -6.420 19.372 5.533 118 HG LEU 19 HG LEU 19 -5.196 17.471 3.536 119 HD11 LEU 19 HD11 LEU 19 -6.746 18.995 2.502 120 HD12 LEU 19 HD12 LEU 19 -5.099 19.496 2.123 121 HD13 LEU 19 HD13 LEU 19 -6.024 20.363 3.349 122 HD21 LEU 19 HD21 LEU 19 -3.224 18.842 3.632 123 HD22 LEU 19 HD22 LEU 19 -3.592 18.259 5.255 124 HD23 LEU 19 HD23 LEU 19 -3.980 19.921 4.804 125 H ASP 20 H ASP 20 -7.892 16.031 6.514 126 HA ASP 20 HA ASP 20 -9.434 17.520 8.329 127 HB2 ASP 20 HB2 ASP 20 -9.522 14.587 7.600 128 HB3 ASP 20 HB3 ASP 20 -10.734 15.383 8.601 129 H ASN 21 H ASN 21 -7.062 14.971 8.804 130 HA ASN 21 HA ASN 21 -7.535 14.999 11.689 131 HB2 ASN 21 HB2 ASN 21 -5.889 13.210 9.899 132 HB3 ASN 21 HB3 ASN 21 -5.813 13.124 11.656 133 HD21 ASN 21 HD21 ASN 21 -7.359 12.026 8.908 134 HD22 ASN 21 HD22 ASN 21 -8.724 11.276 9.656 135 H PHE 22 H PHE 22 -4.716 15.157 9.506 136 HA PHE 22 HA PHE 22 -3.223 16.570 11.580 137 HB2 PHE 22 HB2 PHE 22 -2.207 15.678 8.881 138 HB3 PHE 22 HB3 PHE 22 -1.257 16.106 10.300 139 HD1 PHE 22 HD1 PHE 22 -1.744 13.467 8.419 140 HD2 PHE 22 HD2 PHE 22 -2.560 14.625 12.432 141 HE1 PHE 22 HE1 PHE 22 -1.713 11.104 9.103 142 HE2 PHE 22 HE2 PHE 22 -2.529 12.264 13.124 143 HZ PHE 22 HZ PHE 22 -2.107 10.500 11.458 144 H TYR 23 H TYR 23 -1.851 18.431 10.879 145 HA TYR 23 HA TYR 23 -2.634 19.947 8.584 146 HB2 TYR 23 HB2 TYR 23 -3.741 21.772 9.644 147 HB3 TYR 23 HB3 TYR 23 -4.547 20.308 10.199 148 HD1 TYR 23 HD1 TYR 23 -3.508 23.386 11.262 149 HD2 TYR 23 HD2 TYR 23 -3.229 19.298 12.407 150 HE1 TYR 23 HE1 TYR 23 -3.131 24.071 13.594 151 HE2 TYR 23 HE2 TYR 23 -2.852 19.971 14.742 152 HH TYR 23 HH TYR 23 -1.832 22.317 15.838 153 H CYS 24 H CYS 24 -1.453 21.973 8.406 154 HA CYS 24 HA CYS 24 1.016 21.931 10.012 155 HB2 CYS 24 HB2 CYS 24 0.483 22.399 7.130 156 HB3 CYS 24 HB3 CYS 24 1.740 23.384 7.870 157 HA PRO 25 HA PRO 25 -1.017 25.831 11.284 158 HB2 PRO 25 HB2 PRO 25 0.085 25.833 13.765 159 HB3 PRO 25 HB3 PRO 25 -1.382 24.930 13.366 160 HG2 PRO 25 HG2 PRO 25 1.441 23.958 13.584 161 HG3 PRO 25 HG3 PRO 25 -0.051 23.204 14.176 162 HD2 PRO 25 HD2 PRO 25 1.170 22.418 11.891 163 HD3 PRO 25 HD3 PRO 25 -0.591 22.350 12.105 164 H MET 26 H MET 26 -0.018 27.845 12.194 165 HA MET 26 HA MET 26 2.455 28.378 10.814 166 HB2 MET 26 HB2 MET 26 0.966 30.271 12.627 167 HB3 MET 26 HB3 MET 26 2.066 30.672 11.315 168 HG2 MET 26 HG2 MET 26 0.312 29.432 9.842 169 HG3 MET 26 HG3 MET 26 -0.764 29.750 11.200 170 HE1 MET 26 HE1 MET 26 1.760 31.005 8.858 171 HE2 MET 26 HE2 MET 26 0.980 32.380 8.076 172 HE3 MET 26 HE3 MET 26 1.996 32.632 9.496 173 H GLU 27 H GLU 27 4.304 27.741 11.722 174 HA GLU 27 HA GLU 27 5.093 28.792 14.264 175 HB2 GLU 27 HB2 GLU 27 5.530 26.645 15.365 176 HB3 GLU 27 HB3 GLU 27 3.816 26.864 15.045 177 HG2 GLU 27 HG2 GLU 27 4.097 25.456 13.004 178 HG3 GLU 27 HG3 GLU 27 5.745 25.123 13.534 179 H PHE 28 H PHE 28 7.316 27.661 14.885 180 HA PHE 28 HA PHE 28 9.169 28.353 12.961 181 HB2 PHE 28 HB2 PHE 28 9.492 26.331 15.189 182 HB3 PHE 28 HB3 PHE 28 10.814 27.083 14.301 183 HD1 PHE 28 HD1 PHE 28 8.425 27.439 16.976 184 HD2 PHE 28 HD2 PHE 28 11.203 29.530 14.521 185 HE1 PHE 28 HE1 PHE 28 8.436 29.303 18.582 186 HE2 PHE 28 HE2 PHE 28 11.219 31.397 16.123 187 HZ PHE 28 HZ PHE 28 9.834 31.286 18.156 188 H ILE 29 H ILE 29 8.216 25.033 13.853 189 HA ILE 29 HA ILE 29 8.956 24.198 11.125 190 HB ILE 29 HB ILE 29 9.188 22.453 13.574 191 HG12 ILE 29 HG12 ILE 29 11.748 22.848 12.798 192 HG13 ILE 29 HG13 ILE 29 11.063 24.417 12.391 193 HG21 ILE 29 HG21 ILE 29 10.089 20.836 12.208 194 HG22 ILE 29 HG22 ILE 29 8.897 21.565 11.134 195 HG23 ILE 29 HG23 ILE 29 10.599 22.000 10.985 196 HD11 ILE 29 HD11 ILE 29 10.075 24.105 14.868 197 HD12 ILE 29 HD12 ILE 29 11.582 23.200 15.013 198 HD13 ILE 29 HD13 ILE 29 11.613 24.891 14.512 199 HA PRO 30 HA PRO 30 4.555 23.177 11.355 200 HB2 PRO 30 HB2 PRO 30 4.253 22.950 8.667 201 HB3 PRO 30 HB3 PRO 30 4.250 24.506 9.506 202 HG2 PRO 30 HG2 PRO 30 6.470 23.163 8.013 203 HG3 PRO 30 HG3 PRO 30 5.976 24.866 7.990 204 HD2 PRO 30 HD2 PRO 30 8.087 23.982 9.437 205 HD3 PRO 30 HD3 PRO 30 7.073 25.342 9.960 206 H HIS 31 H HIS 31 4.003 21.167 11.890 207 HA HIS 31 HA HIS 31 5.171 18.930 10.368 208 HB2 HIS 31 HB2 HIS 31 4.075 18.808 13.181 209 HB3 HIS 31 HB3 HIS 31 4.981 17.558 12.333 210 HD1 HIS 31 HD1 HIS 31 5.445 20.024 14.823 211 HD2 HIS 31 HD2 HIS 31 7.724 18.688 11.617 212 HE1 HIS 31 HE1 HIS 31 7.803 20.735 15.332 213 H CYS 32 H CYS 32 3.679 16.881 10.688 214 HA CYS 32 HA CYS 32 0.940 17.721 9.995 215 HB2 CYS 32 HB2 CYS 32 2.607 15.420 8.976 216 HB3 CYS 32 HB3 CYS 32 0.870 15.527 8.714 217 H LYS 33 H LYS 33 0.848 17.606 12.471 218 HA LYS 33 HA LYS 33 0.229 14.850 13.308 219 HB2 LYS 33 HB2 LYS 33 0.801 17.165 15.154 220 HB3 LYS 33 HB3 LYS 33 0.751 15.453 15.554 221 HG2 LYS 33 HG2 LYS 33 2.710 15.300 13.828 222 HG3 LYS 33 HG3 LYS 33 2.880 17.020 14.184 223 HD2 LYS 33 HD2 LYS 33 4.322 15.882 15.680 224 HD3 LYS 33 HD3 LYS 33 2.921 16.384 16.628 225 HE2 LYS 33 HE2 LYS 33 1.996 14.172 16.539 226 HE3 LYS 33 HE3 LYS 33 3.243 13.646 15.410 227 HZ1 LYS 33 HZ1 LYS 33 4.899 14.020 17.146 228 HZ2 LYS 33 HZ2 LYS 33 3.738 12.891 17.634 229 HZ3 LYS 33 HZ3 LYS 33 3.680 14.473 18.229 230 H LYS 34 H LYS 34 -1.495 14.749 15.042 231 HA LYS 34 HA LYS 34 -3.887 15.879 14.036 232 HB2 LYS 34 HB2 LYS 34 -3.382 13.722 15.526 233 HB3 LYS 34 HB3 LYS 34 -3.803 14.834 16.821 234 HG2 LYS 34 HG2 LYS 34 -5.815 13.803 16.315 235 HG3 LYS 34 HG3 LYS 34 -5.907 15.329 15.432 236 HD2 LYS 34 HD2 LYS 34 -6.627 13.760 13.870 237 HD3 LYS 34 HD3 LYS 34 -4.926 13.990 13.458 238 HE2 LYS 34 HE2 LYS 34 -4.334 11.909 14.164 239 HE3 LYS 34 HE3 LYS 34 -5.571 11.864 15.418 240 HZ1 LYS 34 HZ1 LYS 34 -6.619 10.491 14.027 241 HZ2 LYS 34 HZ2 LYS 34 -5.689 10.951 12.691 242 HZ3 LYS 34 HZ3 LYS 34 -7.029 11.877 13.148 243 H TYR 35 H TYR 35 -5.413 17.207 15.271 244 HA TYR 35 HA TYR 35 -4.389 19.672 15.982 245 HB2 TYR 35 HB2 TYR 35 -7.005 18.309 16.480 246 HB3 TYR 35 HB3 TYR 35 -6.682 19.851 17.265 247 HD1 TYR 35 HD1 TYR 35 -7.848 18.266 14.312 248 HD2 TYR 35 HD2 TYR 35 -5.944 21.799 15.723 249 HE1 TYR 35 HE1 TYR 35 -8.524 19.442 12.260 250 HE2 TYR 35 HE2 TYR 35 -6.615 22.986 13.676 251 HH TYR 35 HH TYR 35 -7.996 22.892 11.862 252 H LYS 36 H LYS 36 -4.361 20.779 18.047 253 HA LYS 36 HA LYS 36 -2.826 19.509 19.981 254 HB2 LYS 36 HB2 LYS 36 -4.442 22.024 19.935 255 HB3 LYS 36 HB3 LYS 36 -3.771 21.473 21.464 256 HG2 LYS 36 HG2 LYS 36 -1.539 21.340 20.177 257 HG3 LYS 36 HG3 LYS 36 -2.345 22.376 18.997 258 HD2 LYS 36 HD2 LYS 36 -2.448 23.122 21.882 259 HD3 LYS 36 HD3 LYS 36 -0.958 23.408 20.979 260 HE2 LYS 36 HE2 LYS 36 -2.358 24.611 19.268 261 HE3 LYS 36 HE3 LYS 36 -3.708 24.492 20.396 262 HZ1 LYS 36 HZ1 LYS 36 -2.534 25.800 21.979 263 HZ2 LYS 36 HZ2 LYS 36 -2.467 26.621 20.503 264 HZ3 LYS 36 HZ3 LYS 36 -1.114 25.772 21.060 265 HA PRO 37 HA PRO 37 -5.542 17.244 22.579 266 HB2 PRO 37 HB2 PRO 37 -4.533 17.743 25.049 267 HB3 PRO 37 HB3 PRO 37 -3.715 16.715 23.867 268 HG2 PRO 37 HG2 PRO 37 -3.207 19.584 24.558 269 HG3 PRO 37 HG3 PRO 37 -2.041 18.278 24.274 270 HD2 PRO 37 HD2 PRO 37 -2.638 20.131 22.393 271 HD3 PRO 37 HD3 PRO 37 -2.204 18.459 21.982 272 H TYR 38 H TYR 38 -7.095 17.392 24.372 273 HA TYR 38 HA TYR 38 -8.834 19.523 24.152 274 HB2 TYR 38 HB2 TYR 38 -8.444 17.517 26.369 275 HB3 TYR 38 HB3 TYR 38 -9.742 18.705 26.397 276 HD1 TYR 38 HD1 TYR 38 -8.555 15.592 24.958 277 HD2 TYR 38 HD2 TYR 38 -11.530 18.622 24.682 278 HE1 TYR 38 HE1 TYR 38 -9.946 14.093 23.591 279 HE2 TYR 38 HE2 TYR 38 -12.929 17.131 23.316 280 HH TYR 38 HH TYR 38 -13.039 15.182 22.240 281 H VAL 39 H VAL 39 -8.878 21.536 24.903 282 HA VAL 39 HA VAL 39 -6.883 22.313 26.918 283 HB VAL 39 HB VAL 39 -8.393 24.061 24.970 284 HG11 VAL 39 HG11 VAL 39 -6.084 24.748 26.785 285 HG12 VAL 39 HG12 VAL 39 -6.922 25.841 25.681 286 HG13 VAL 39 HG13 VAL 39 -7.768 25.181 27.082 287 HG21 VAL 39 HG21 VAL 39 -5.914 22.531 24.757 288 HG22 VAL 39 HG22 VAL 39 -6.918 23.244 23.495 289 HG23 VAL 39 HG23 VAL 39 -5.732 24.236 24.343 290 HA PRO 40 HA PRO 40 -10.150 22.899 29.842 291 HB2 PRO 40 HB2 PRO 40 -8.729 24.312 31.673 292 HB3 PRO 40 HB3 PRO 40 -8.546 22.568 31.453 293 HG2 PRO 40 HG2 PRO 40 -6.846 24.798 30.405 294 HG3 PRO 40 HG3 PRO 40 -6.349 23.251 31.117 295 HD2 PRO 40 HD2 PRO 40 -6.378 23.682 28.444 296 HD3 PRO 40 HD3 PRO 40 -6.708 22.090 29.158 297 H VAL 41 H VAL 41 -11.367 24.623 30.845 298 HA VAL 41 HA VAL 41 -11.928 26.766 29.150 299 HB VAL 41 HB VAL 41 -12.513 26.684 32.110 300 HG11 VAL 41 HG11 VAL 41 -13.687 28.541 31.783 301 HG12 VAL 41 HG12 VAL 41 -13.041 28.615 30.142 302 HG13 VAL 41 HG13 VAL 41 -14.573 27.797 30.452 303 HG21 VAL 41 HG21 VAL 41 -13.360 24.647 31.366 304 HG22 VAL 41 HG22 VAL 41 -14.746 25.732 31.242 305 HG23 VAL 41 HG23 VAL 41 -13.829 25.304 29.798 306 H THR 42 H THR 42 -10.868 28.586 28.766 307 HA THR 42 HA THR 42 -8.809 29.466 30.649 308 HB THR 42 HB THR 42 -9.183 30.865 28.054 309 HG1 THR 42 HG1 THR 42 -8.037 29.142 26.997 310 HG21 THR 42 HG21 THR 42 -7.332 31.655 29.184 311 HG22 THR 42 HG22 THR 42 -6.603 30.415 28.163 312 HG23 THR 42 HG23 THR 42 -6.939 30.076 29.861 313 H THR 43 H THR 43 -8.559 31.814 31.015 314 HA THR 43 HA THR 43 -10.773 32.960 32.195 315 HB THR 43 HB THR 43 -8.746 34.808 31.029 316 HG1 THR 43 HG1 THR 43 -7.216 34.095 32.575 317 HG21 THR 43 HG21 THR 43 -10.460 35.628 32.579 318 HG22 THR 43 HG22 THR 43 -8.846 35.781 33.272 319 HG23 THR 43 HG23 THR 43 -9.911 34.477 33.796 320 H SER 44 H SER 44 -12.359 34.364 31.587 321 HA SER 44 HA SER 44 -13.296 34.336 28.967 322 HB2 SER 44 HB2 SER 44 -14.801 36.196 29.698 323 HB3 SER 44 HB3 SER 44 -14.789 34.825 30.807 324 HG SER 44 HG SER 44 -13.846 36.015 32.292 325 H PHE 45 H PHE 45 -12.757 35.411 27.189 326 HA PHE 45 HA PHE 45 -10.892 37.661 27.433 327 HB2 PHE 45 HB2 PHE 45 -11.593 36.029 24.984 328 HB3 PHE 45 HB3 PHE 45 -10.317 37.236 25.104 329 HD1 PHE 45 HD1 PHE 45 -10.935 33.843 25.070 330 HD2 PHE 45 HD2 PHE 45 -8.662 36.758 27.180 331 HE1 PHE 45 HE1 PHE 45 -9.354 32.095 25.776 332 HE2 PHE 45 HE2 PHE 45 -7.078 35.015 27.889 333 HZ PHE 45 HZ PHE 45 -7.423 32.679 27.189 334 H ASN 46 H ASN 46 -11.351 39.665 26.674 335 HA ASN 46 HA ASN 46 -13.878 40.062 25.234 336 HB2 ASN 46 HB2 ASN 46 -13.592 40.659 27.918 337 HB3 ASN 46 HB3 ASN 46 -13.283 42.206 27.134 338 HD21 ASN 46 HD21 ASN 46 -15.004 43.412 26.882 339 HD22 ASN 46 HD22 ASN 46 -16.625 42.854 26.668 340 H CYS 47 H CYS 47 -11.198 40.020 24.241 341 HA CYS 47 HA CYS 47 -11.119 42.697 23.089 342 HB2 CYS 47 HB2 CYS 47 -8.581 42.690 23.373 343 HB3 CYS 47 HB3 CYS 47 -9.537 43.028 24.813 344 H ALA 48 H ALA 48 -9.774 42.810 21.149 345 HA ALA 48 HA ALA 48 -10.130 40.490 19.516 346 HB1 ALA 48 HB1 ALA 48 -10.445 42.573 18.452 347 HB2 ALA 48 HB2 ALA 48 -8.886 43.181 19.010 348 HB3 ALA 48 HB3 ALA 48 -8.951 41.912 17.786 349 H LYS 49 H LYS 49 -8.831 38.786 19.633 350 HA LYS 49 HA LYS 49 -6.146 38.957 20.625 351 HB2 LYS 49 HB2 LYS 49 -7.825 36.722 19.510 352 HB3 LYS 49 HB3 LYS 49 -6.124 36.488 19.890 353 HG2 LYS 49 HG2 LYS 49 -6.886 37.534 22.204 354 HG3 LYS 49 HG3 LYS 49 -8.441 36.872 21.696 355 HD2 LYS 49 HD2 LYS 49 -7.673 34.692 21.735 356 HD3 LYS 49 HD3 LYS 49 -5.987 35.174 21.537 357 HE2 LYS 49 HE2 LYS 49 -6.241 36.249 23.859 358 HE3 LYS 49 HE3 LYS 49 -7.698 35.267 24.001 359 HZ1 LYS 49 HZ1 LYS 49 -6.480 33.309 23.931 360 HZ2 LYS 49 HZ2 LYS 49 -5.515 34.318 24.885 361 HZ3 LYS 49 HZ3 LYS 49 -5.112 34.049 23.264 362 H GLU 50 H GLU 50 -4.331 37.880 19.377 363 HA GLU 50 HA GLU 50 -3.669 39.349 17.139 364 HB2 GLU 50 HB2 GLU 50 -2.072 38.043 18.522 365 HB3 GLU 50 HB3 GLU 50 -2.685 36.566 17.791 366 HG2 GLU 50 HG2 GLU 50 -1.811 37.120 15.681 367 HG3 GLU 50 HG3 GLU 50 -1.517 38.792 16.155 368 H GLY 51 H GLY 51 -4.230 39.303 15.059 369 HA2 GLY 51 HA2 GLY 51 -4.624 38.123 13.007 370 HA3 GLY 51 HA3 GLY 51 -5.318 36.807 13.943 371 H GLU 52 H GLU 52 -6.889 38.667 15.613 372 HA GLU 52 HA GLU 52 -9.262 38.668 14.096 373 HB2 GLU 52 HB2 GLU 52 -8.645 40.245 16.601 374 HB3 GLU 52 HB3 GLU 52 -10.247 39.895 15.968 375 HG2 GLU 52 HG2 GLU 52 -8.278 37.816 16.893 376 HG3 GLU 52 HG3 GLU 52 -9.602 38.458 17.864 377 H VAL 53 H VAL 53 -10.551 40.472 13.412 378 HA VAL 53 HA VAL 53 -8.928 42.569 12.218 379 HB VAL 53 HB VAL 53 -11.895 42.124 11.894 380 HG11 VAL 53 HG11 VAL 53 -11.448 43.306 9.716 381 HG12 VAL 53 HG12 VAL 53 -11.284 44.299 11.166 382 HG13 VAL 53 HG13 VAL 53 -9.846 43.692 10.344 383 HG21 VAL 53 HG21 VAL 53 -10.989 40.103 11.157 384 HG22 VAL 53 HG22 VAL 53 -11.121 41.064 9.684 385 HG23 VAL 53 HG23 VAL 53 -9.558 40.882 10.482 386 H CYS 54 H CYS 54 -9.354 44.793 12.446 387 HA CYS 54 HA CYS 54 -10.825 45.494 14.902 388 HB2 CYS 54 HB2 CYS 54 -8.482 46.991 13.714 389 HB3 CYS 54 HB3 CYS 54 -9.259 47.294 15.265 390 H GLY 55 H GLY 55 -11.554 47.835 14.921 391 HA2 GLY 55 HA2 GLY 55 -12.144 49.765 13.529 392 HA3 GLY 55 HA3 GLY 55 -12.457 48.632 12.223 393 H TRP 56 H TRP 56 -13.837 46.708 13.895 394 HA TRP 56 HA TRP 56 -16.414 48.067 13.990 395 HB2 TRP 56 HB2 TRP 56 -15.560 45.189 13.927 396 HB3 TRP 56 HB3 TRP 56 -17.194 45.622 14.421 397 HD1 TRP 56 HD1 TRP 56 -15.187 47.226 11.527 398 HE1 TRP 56 HE1 TRP 56 -16.519 46.887 9.351 399 HE3 TRP 56 HE3 TRP 56 -18.995 44.341 13.348 400 HZ2 TRP 56 HZ2 TRP 56 -18.873 45.571 8.517 401 HZ3 TRP 56 HZ3 TRP 56 -20.747 43.584 11.795 402 HH2 TRP 56 HH2 TRP 56 -20.686 44.188 9.430 403 H GLY 57 H GLY 57 -14.785 48.910 16.025 404 HA2 GLY 57 HA2 GLY 57 -14.935 49.317 18.286 405 HA3 GLY 57 HA3 GLY 57 -16.375 48.310 18.311 406 H SER 58 H SER 58 -13.240 47.213 17.184 407 HA SER 58 HA SER 58 -13.105 45.430 19.527 408 HB2 SER 58 HB2 SER 58 -12.761 44.924 16.631 409 HB3 SER 58 HB3 SER 58 -11.599 44.127 17.692 410 HG SER 58 HG SER 58 -14.236 43.587 17.288 411 H LYS 59 H LYS 59 -11.469 45.837 20.841 412 HA LYS 59 HA LYS 59 -9.106 47.228 19.779 413 HB2 LYS 59 HB2 LYS 59 -9.832 46.937 22.689 414 HB3 LYS 59 HB3 LYS 59 -8.715 48.083 21.959 415 HG2 LYS 59 HG2 LYS 59 -10.380 49.548 22.019 416 HG3 LYS 59 HG3 LYS 59 -11.113 48.627 20.704 417 HD2 LYS 59 HD2 LYS 59 -11.588 47.546 23.397 418 HD3 LYS 59 HD3 LYS 59 -12.312 49.126 23.088 419 HE2 LYS 59 HE2 LYS 59 -13.964 48.118 22.000 420 HE3 LYS 59 HE3 LYS 59 -12.798 47.557 20.802 421 HZ1 LYS 59 HZ1 LYS 59 -13.574 45.565 21.487 422 HZ2 LYS 59 HZ2 LYS 59 -14.018 46.118 23.022 423 HZ3 LYS 59 HZ3 LYS 59 -12.399 45.758 22.690 424 H CYS 60 H CYS 60 -7.117 46.339 19.899 425 HA CYS 60 HA CYS 60 -6.857 43.556 20.310 426 HB2 CYS 60 HB2 CYS 60 -4.739 45.705 20.095 427 HB3 CYS 60 HB3 CYS 60 -4.420 43.974 20.039 428 H CYS 61 H CYS 61 -5.985 42.374 21.970 429 HA CYS 61 HA CYS 61 -6.325 43.310 24.589 430 HB2 CYS 61 HB2 CYS 61 -4.608 40.975 23.732 431 HB3 CYS 61 HB3 CYS 61 -5.361 41.215 25.304 432 H HIS 62 H HIS 62 -4.538 43.184 26.281 433 HA HIS 62 HA HIS 62 -2.704 45.229 25.876 434 HB2 HIS 62 HB2 HIS 62 -3.401 44.494 28.104 435 HB3 HIS 62 HB3 HIS 62 -2.568 42.960 27.873 436 HD1 HIS 62 HD1 HIS 62 -0.746 43.110 29.574 437 HD2 HIS 62 HD2 HIS 62 -0.997 46.526 27.222 438 HE1 HIS 62 HE1 HIS 62 1.249 44.507 30.202 439 H GLY 63 H GLY 63 -0.781 45.359 24.911 440 HA2 GLY 63 HA2 GLY 63 1.406 44.559 24.411 441 HA3 GLY 63 HA3 GLY 63 0.802 42.914 24.546 442 H LEU 64 H LEU 64 -1.588 43.746 22.882 443 HA LEU 64 HA LEU 64 -0.247 43.436 20.290 444 HB2 LEU 64 HB2 LEU 64 -3.097 42.884 21.104 445 HB3 LEU 64 HB3 LEU 64 -2.439 42.642 19.487 446 HG LEU 64 HG LEU 64 -1.209 41.215 21.806 447 HD11 LEU 64 HD11 LEU 64 -3.332 40.493 22.261 448 HD12 LEU 64 HD12 LEU 64 -2.858 39.325 21.028 449 HD13 LEU 64 HD13 LEU 64 -3.879 40.696 20.597 450 HD21 LEU 64 HD21 LEU 64 -1.287 41.000 18.855 451 HD22 LEU 64 HD22 LEU 64 -1.224 39.491 19.767 452 HD23 LEU 64 HD23 LEU 64 0.038 40.706 19.982 453 H ASP 65 H ASP 65 -1.212 44.522 18.417 454 HA ASP 65 HA ASP 65 -2.841 46.862 18.936 455 HB2 ASP 65 HB2 ASP 65 -0.323 47.409 19.308 456 HB3 ASP 65 HB3 ASP 65 -0.219 47.334 17.551 457 H CYS 66 H CYS 66 -3.467 47.975 16.929 458 HA CYS 66 HA CYS 66 -3.415 46.132 14.629 459 HB2 CYS 66 HB2 CYS 66 -5.620 47.272 16.038 460 HB3 CYS 66 HB3 CYS 66 -5.597 47.950 14.413 461 HA PRO 67 HA PRO 67 -1.362 49.392 12.459 462 HB2 PRO 67 HB2 PRO 67 -1.630 48.368 9.959 463 HB3 PRO 67 HB3 PRO 67 -0.476 47.734 11.138 464 HG2 PRO 67 HG2 PRO 67 -3.185 46.700 10.394 465 HG3 PRO 67 HG3 PRO 67 -1.682 45.801 10.671 466 HD2 PRO 67 HD2 PRO 67 -3.635 45.983 12.537 467 HD3 PRO 67 HD3 PRO 67 -1.916 45.869 12.963 468 H LEU 68 H LEU 68 -1.787 50.915 10.672 469 HA LEU 68 HA LEU 68 -4.624 51.624 10.605 470 HB2 LEU 68 HB2 LEU 68 -2.138 53.180 9.920 471 HB3 LEU 68 HB3 LEU 68 -3.775 53.799 9.707 472 HG LEU 68 HG LEU 68 -2.528 53.022 12.344 473 HD11 LEU 68 HD11 LEU 68 -2.631 55.477 12.769 474 HD12 LEU 68 HD12 LEU 68 -3.009 55.704 11.062 475 HD13 LEU 68 HD13 LEU 68 -1.464 54.999 11.535 476 HD21 LEU 68 HD21 LEU 68 -4.501 54.015 13.339 477 HD22 LEU 68 HD22 LEU 68 -4.966 52.705 12.253 478 HD23 LEU 68 HD23 LEU 68 -5.151 54.384 11.742 479 H ALA 69 H ALA 69 -5.493 50.353 9.013 480 HA ALA 69 HA ALA 69 -4.972 51.170 6.305 481 HB1 ALA 69 HB1 ALA 69 -4.488 48.909 5.453 482 HB2 ALA 69 HB2 ALA 69 -3.225 49.511 6.528 483 HB3 ALA 69 HB3 ALA 69 -4.390 48.324 7.115 484 H PHE 70 H PHE 70 -6.291 49.390 4.843 485 HA PHE 70 HA PHE 70 -8.968 49.901 5.286 486 HB2 PHE 70 HB2 PHE 70 -7.864 47.492 3.828 487 HB3 PHE 70 HB3 PHE 70 -9.446 48.230 3.596 488 HD1 PHE 70 HD1 PHE 70 -6.231 47.988 2.304 489 HD2 PHE 70 HD2 PHE 70 -9.320 50.829 3.012 490 HE1 PHE 70 HE1 PHE 70 -5.289 49.442 0.557 491 HE2 PHE 70 HE2 PHE 70 -8.384 52.288 1.265 492 HZ PHE 70 HZ PHE 70 -6.365 51.595 0.036 493 H ILE 71 H ILE 71 -7.485 46.677 5.651 494 HA ILE 71 HA ILE 71 -9.307 46.198 7.916 495 HB ILE 71 HB ILE 71 -8.490 44.084 5.926 496 HG12 ILE 71 HG12 ILE 71 -11.157 44.398 5.537 497 HG13 ILE 71 HG13 ILE 71 -10.688 46.061 5.875 498 HG21 ILE 71 HG21 ILE 71 -10.559 44.128 8.119 499 HG22 ILE 71 HG22 ILE 71 -10.318 42.809 6.975 500 HG23 ILE 71 HG23 ILE 71 -9.043 43.226 8.121 501 HD11 ILE 71 HD11 ILE 71 -8.809 45.506 4.105 502 HD12 ILE 71 HD12 ILE 71 -10.006 44.323 3.578 503 HD13 ILE 71 HD13 ILE 71 -10.421 46.036 3.624 504 HA PRO 72 HA PRO 72 -4.982 45.524 9.345 505 HB2 PRO 72 HB2 PRO 72 -5.424 46.531 11.827 506 HB3 PRO 72 HB3 PRO 72 -5.017 47.545 10.438 507 HG2 PRO 72 HG2 PRO 72 -7.694 46.987 11.657 508 HG3 PRO 72 HG3 PRO 72 -7.025 48.526 11.082 509 HD2 PRO 72 HD2 PRO 72 -8.772 47.060 9.622 510 HD3 PRO 72 HD3 PRO 72 -7.503 48.053 8.877 511 H TYR 73 H TYR 73 -4.225 44.312 11.291 512 HA TYR 73 HA TYR 73 -6.236 42.573 12.501 513 HB2 TYR 73 HB2 TYR 73 -3.776 41.439 11.163 514 HB3 TYR 73 HB3 TYR 73 -5.094 40.541 11.908 515 HD1 TYR 73 HD1 TYR 73 -7.464 40.951 10.858 516 HD2 TYR 73 HD2 TYR 73 -3.790 41.761 8.870 517 HE1 TYR 73 HE1 TYR 73 -8.620 40.842 8.689 518 HE2 TYR 73 HE2 TYR 73 -4.936 41.655 6.696 519 HH TYR 73 HH TYR 73 -7.411 40.294 5.987 520 H CYS 74 H CYS 74 -5.821 42.153 14.583 521 HA CYS 74 HA CYS 74 -3.904 43.495 16.041 522 HB2 CYS 74 HB2 CYS 74 -5.456 40.981 16.625 523 HB3 CYS 74 HB3 CYS 74 -4.340 41.667 17.801 524 H GLU 75 H GLU 75 -1.842 43.129 16.671 525 HA GLU 75 HA GLU 75 -0.590 40.553 16.335 526 HB2 GLU 75 HB2 GLU 75 1.061 41.181 14.734 527 HB3 GLU 75 HB3 GLU 75 -0.503 41.608 14.053 528 HG2 GLU 75 HG2 GLU 75 0.634 43.502 13.564 529 HG3 GLU 75 HG3 GLU 75 0.047 43.938 15.168 530 H LYS 76 H LYS 76 1.354 40.359 17.456 531 HA LYS 76 HA LYS 76 1.676 41.829 19.764 532 HB2 LYS 76 HB2 LYS 76 3.714 40.238 18.203 533 HB3 LYS 76 HB3 LYS 76 4.009 40.875 19.816 534 HG2 LYS 76 HG2 LYS 76 1.694 39.063 19.215 535 HG3 LYS 76 HG3 LYS 76 3.293 38.449 19.641 536 HD2 LYS 76 HD2 LYS 76 3.117 39.997 21.685 537 HD3 LYS 76 HD3 LYS 76 1.396 40.076 21.304 538 HE2 LYS 76 HE2 LYS 76 1.598 38.340 22.873 539 HE3 LYS 76 HE3 LYS 76 1.438 37.533 21.314 540 HZ1 LYS 76 HZ1 LYS 76 3.863 37.863 22.970 541 HZ2 LYS 76 HZ2 LYS 76 3.967 37.498 21.322 542 HZ3 LYS 76 HZ3 LYS 76 3.179 36.435 22.375 543 H TYR 77 H TYR 77 2.236 43.867 20.098 544 HA TYR 77 HA TYR 77 3.198 45.593 18.112 545 HB2 TYR 77 HB2 TYR 77 1.975 46.253 20.214 546 HB3 TYR 77 HB3 TYR 77 3.479 46.001 21.093 547 HD1 TYR 77 HD1 TYR 77 4.616 47.932 21.603 548 HD2 TYR 77 HD2 TYR 77 2.432 47.757 17.955 549 HE1 TYR 77 HE1 TYR 77 5.310 50.234 21.084 550 HE2 TYR 77 HE2 TYR 77 3.121 50.059 17.426 551 HH TYR 77 HH TYR 77 5.370 51.827 19.504 552 H ARG 78 H ARG 78 5.201 46.351 17.588 553 HA ARG 78 HA ARG 78 7.473 44.901 18.766 554 HB2 ARG 78 HB2 ARG 78 6.971 44.676 16.283 555 HB3 ARG 78 HB3 ARG 78 7.453 46.360 16.127 556 HG2 ARG 78 HG2 ARG 78 9.612 45.500 17.370 557 HG3 ARG 78 HG3 ARG 78 9.101 43.955 16.686 558 HD2 ARG 78 HD2 ARG 78 9.203 44.807 14.472 559 HD3 ARG 78 HD3 ARG 78 9.382 46.463 15.048 560 HE ARG 78 HE ARG 78 11.626 46.095 15.297 561 HH11 ARG 78 HH11 ARG 78 9.997 43.034 14.986 562 HH12 ARG 78 HH12 ARG 78 11.463 42.117 14.879 563 HH21 ARG 78 HH21 ARG 78 13.563 44.898 15.158 564 HH22 ARG 78 HH22 ARG 78 13.491 43.178 14.978 Start of MODEL 8 1 H1 GLY 1 H GLY 1 2.674 -6.639 2.039 2 HA2 GLY 1 HA2 GLY 1 2.521 -6.515 -0.850 3 HA3 GLY 1 HA3 GLY 1 1.462 -5.697 0.289 4 H ASP 2 H ASP 2 1.593 -3.774 -0.928 5 HA ASP 2 HA ASP 2 4.186 -2.389 -0.714 6 HB2 ASP 2 HB2 ASP 2 3.156 -2.916 -3.052 7 HB3 ASP 2 HB3 ASP 2 2.071 -1.579 -2.682 8 H CYS 3 H CYS 3 4.205 -0.244 -0.030 9 HA CYS 3 HA CYS 3 1.881 1.276 0.501 10 HB2 CYS 3 HB2 CYS 3 1.932 1.220 2.966 11 HB3 CYS 3 HB3 CYS 3 1.527 -0.351 2.283 12 H ALA 4 H ALA 4 2.434 3.201 1.963 13 HA ALA 4 HA ALA 4 5.109 4.123 1.208 14 HB1 ALA 4 HB1 ALA 4 3.164 5.989 2.431 15 HB2 ALA 4 HB2 ALA 4 4.278 6.229 1.084 16 HB3 ALA 4 HB3 ALA 4 2.770 5.349 0.835 17 H LYS 5 H LYS 5 6.681 4.151 2.661 18 HA LYS 5 HA LYS 5 6.301 3.479 5.374 19 HB2 LYS 5 HB2 LYS 5 8.481 3.793 3.618 20 HB3 LYS 5 HB3 LYS 5 8.778 4.893 4.958 21 HG2 LYS 5 HG2 LYS 5 9.158 3.227 6.414 22 HG3 LYS 5 HG3 LYS 5 7.900 2.197 5.728 23 HD2 LYS 5 HD2 LYS 5 10.083 2.553 3.871 24 HD3 LYS 5 HD3 LYS 5 10.660 1.924 5.416 25 HE2 LYS 5 HE2 LYS 5 8.985 0.135 5.298 26 HE3 LYS 5 HE3 LYS 5 8.432 0.761 3.746 27 HZ1 LYS 5 HZ1 LYS 5 11.227 -0.098 4.216 28 HZ2 LYS 5 HZ2 LYS 5 10.465 0.197 2.735 29 HZ3 LYS 5 HZ3 LYS 5 10.031 -1.155 3.654 30 H GLU 6 H GLU 6 7.387 4.949 7.127 31 HA GLU 6 HA GLU 6 5.724 7.212 7.438 32 HB2 GLU 6 HB2 GLU 6 6.519 6.005 9.375 33 HB3 GLU 6 HB3 GLU 6 8.191 6.342 8.949 34 HG2 GLU 6 HG2 GLU 6 7.882 8.686 9.388 35 HG3 GLU 6 HG3 GLU 6 6.161 8.439 9.676 36 H GLY 7 H GLY 7 5.976 9.269 6.838 37 HA2 GLY 7 HA2 GLY 7 7.188 11.258 6.453 38 HA3 GLY 7 HA3 GLY 7 8.657 10.306 6.301 39 H GLU 8 H GLU 8 7.333 8.407 4.447 40 HA GLU 8 HA GLU 8 8.035 9.696 2.025 41 HB2 GLU 8 HB2 GLU 8 6.837 7.056 2.751 42 HB3 GLU 8 HB3 GLU 8 6.786 7.576 1.073 43 HG2 GLU 8 HG2 GLU 8 9.377 7.694 2.526 44 HG3 GLU 8 HG3 GLU 8 8.767 6.128 1.993 45 H VAL 9 H VAL 9 6.613 9.929 0.136 46 HA VAL 9 HA VAL 9 4.242 11.392 0.842 47 HB VAL 9 HB VAL 9 5.241 10.675 -1.916 48 HG11 VAL 9 HG11 VAL 9 3.337 12.804 -0.947 49 HG12 VAL 9 HG12 VAL 9 3.947 12.667 -2.597 50 HG13 VAL 9 HG13 VAL 9 2.934 11.391 -1.922 51 HG21 VAL 9 HG21 VAL 9 6.239 12.559 0.067 52 HG22 VAL 9 HG22 VAL 9 6.988 11.979 -1.421 53 HG23 VAL 9 HG23 VAL 9 5.847 13.322 -1.474 54 H CYS 10 H CYS 10 2.115 10.935 0.242 55 HA CYS 10 HA CYS 10 1.605 8.123 -0.484 56 HB2 CYS 10 HB2 CYS 10 -0.370 8.162 0.909 57 HB3 CYS 10 HB3 CYS 10 1.012 8.678 1.870 58 H SER 11 H SER 11 0.106 7.696 -2.039 59 HA SER 11 HA SER 11 -1.407 9.942 -3.166 60 HB2 SER 11 HB2 SER 11 -0.807 9.250 -5.453 61 HB3 SER 11 HB3 SER 11 0.622 9.717 -4.530 62 HG SER 11 HG SER 11 1.369 7.786 -4.826 63 H TRP 12 H TRP 12 -2.680 8.769 -5.211 64 HA TRP 12 HA TRP 12 -4.682 7.246 -3.962 65 HB2 TRP 12 HB2 TRP 12 -5.558 6.895 -6.257 66 HB3 TRP 12 HB3 TRP 12 -5.163 8.580 -5.931 67 HD1 TRP 12 HD1 TRP 12 -3.072 9.630 -7.241 68 HE1 TRP 12 HE1 TRP 12 -1.858 8.903 -9.391 69 HE3 TRP 12 HE3 TRP 12 -4.836 4.844 -7.591 70 HZ2 TRP 12 HZ2 TRP 12 -1.674 6.605 -11.021 71 HZ3 TRP 12 HZ3 TRP 12 -4.093 3.448 -9.476 72 HH2 TRP 12 HH2 TRP 12 -2.545 4.312 -11.154 73 H GLY 13 H GLY 13 -1.902 6.314 -5.926 74 HA2 GLY 13 HA2 GLY 13 -2.663 3.503 -5.819 75 HA3 GLY 13 HA3 GLY 13 -1.278 4.177 -6.665 76 H LYS 14 H LYS 14 -0.545 5.702 -4.175 77 HA LYS 14 HA LYS 14 0.811 3.465 -2.840 78 HB2 LYS 14 HB2 LYS 14 1.759 5.909 -3.833 79 HB3 LYS 14 HB3 LYS 14 1.777 6.085 -2.083 80 HG2 LYS 14 HG2 LYS 14 2.854 3.575 -2.499 81 HG3 LYS 14 HG3 LYS 14 3.517 4.548 -3.815 82 HD2 LYS 14 HD2 LYS 14 3.520 5.730 -1.091 83 HD3 LYS 14 HD3 LYS 14 4.666 4.428 -1.419 84 HE2 LYS 14 HE2 LYS 14 5.568 5.663 -3.302 85 HE3 LYS 14 HE3 LYS 14 4.374 6.938 -3.067 86 HZ1 LYS 14 HZ1 LYS 14 5.349 7.410 -0.910 87 HZ2 LYS 14 HZ2 LYS 14 6.514 7.544 -2.128 88 HZ3 LYS 14 HZ3 LYS 14 6.492 6.181 -1.127 89 H LYS 15 H LYS 15 -0.256 2.802 -1.090 90 HA LYS 15 HA LYS 15 -1.611 4.781 0.599 91 HB2 LYS 15 HB2 LYS 15 -1.838 1.777 0.418 92 HB3 LYS 15 HB3 LYS 15 -2.616 2.723 1.680 93 HG2 LYS 15 HG2 LYS 15 -3.081 3.234 -1.242 94 HG3 LYS 15 HG3 LYS 15 -4.044 2.091 -0.303 95 HD2 LYS 15 HD2 LYS 15 -4.779 3.839 1.173 96 HD3 LYS 15 HD3 LYS 15 -3.681 4.998 0.419 97 HE2 LYS 15 HE2 LYS 15 -4.971 5.178 -1.486 98 HE3 LYS 15 HE3 LYS 15 -5.720 3.599 -1.254 99 HZ1 LYS 15 HZ1 LYS 15 -6.540 4.969 0.921 100 HZ2 LYS 15 HZ2 LYS 15 -7.444 4.772 -0.495 101 HZ3 LYS 15 HZ3 LYS 15 -6.531 6.177 -0.263 102 H CYS 16 H CYS 16 -0.737 5.407 2.456 103 HA CYS 16 HA CYS 16 1.777 4.698 3.345 104 HB2 CYS 16 HB2 CYS 16 0.090 6.620 4.058 105 HB3 CYS 16 HB3 CYS 16 -0.252 5.507 5.378 106 H CYS 17 H CYS 17 2.618 3.191 4.695 107 HA CYS 17 HA CYS 17 1.352 0.733 5.021 108 HB2 CYS 17 HB2 CYS 17 3.604 1.828 6.718 109 HB3 CYS 17 HB3 CYS 17 3.205 0.131 6.470 110 H ASP 18 H ASP 18 1.509 3.517 7.157 111 HA ASP 18 HA ASP 18 -0.334 2.133 8.996 112 HB2 ASP 18 HB2 ASP 18 2.070 2.844 9.781 113 HB3 ASP 18 HB3 ASP 18 1.346 4.446 9.891 114 H LEU 19 H LEU 19 -2.029 2.931 7.556 115 HA LEU 19 HA LEU 19 -2.487 5.698 7.168 116 HB2 LEU 19 HB2 LEU 19 -4.428 3.392 7.096 117 HB3 LEU 19 HB3 LEU 19 -4.747 5.015 6.488 118 HG LEU 19 HG LEU 19 -2.647 3.144 5.396 119 HD11 LEU 19 HD11 LEU 19 -5.123 2.528 5.092 120 HD12 LEU 19 HD12 LEU 19 -4.095 2.592 3.661 121 HD13 LEU 19 HD13 LEU 19 -5.190 3.926 4.019 122 HD21 LEU 19 HD21 LEU 19 -2.263 5.628 5.182 123 HD22 LEU 19 HD22 LEU 19 -3.723 5.685 4.194 124 HD23 LEU 19 HD23 LEU 19 -2.337 4.731 3.665 125 H ASP 20 H ASP 20 -3.433 3.418 9.659 126 HA ASP 20 HA ASP 20 -5.425 4.910 10.927 127 HB2 ASP 20 HB2 ASP 20 -3.427 3.099 12.294 128 HB3 ASP 20 HB3 ASP 20 -5.041 3.520 12.861 129 H ASN 21 H ASN 21 -1.923 5.081 11.155 130 HA ASN 21 HA ASN 21 -2.080 7.109 13.245 131 HB2 ASN 21 HB2 ASN 21 0.235 5.670 11.948 132 HB3 ASN 21 HB3 ASN 21 0.455 6.997 13.085 133 HD21 ASN 21 HD21 ASN 21 -1.320 6.578 15.006 134 HD22 ASN 21 HD22 ASN 21 -1.065 5.056 15.782 135 H PHE 22 H PHE 22 -0.509 6.789 10.057 136 HA PHE 22 HA PHE 22 -0.424 9.699 9.832 137 HB2 PHE 22 HB2 PHE 22 0.675 7.715 7.846 138 HB3 PHE 22 HB3 PHE 22 1.133 9.401 8.064 139 HD1 PHE 22 HD1 PHE 22 2.532 6.428 8.273 140 HD2 PHE 22 HD2 PHE 22 1.584 9.636 10.905 141 HE1 PHE 22 HE1 PHE 22 4.356 5.733 9.772 142 HE2 PHE 22 HE2 PHE 22 3.406 8.947 12.407 143 HZ PHE 22 HZ PHE 22 4.796 6.994 11.842 144 H TYR 23 H TYR 23 -1.417 10.852 8.196 145 HA TYR 23 HA TYR 23 -3.321 9.365 6.514 146 HB2 TYR 23 HB2 TYR 23 -4.985 11.117 6.853 147 HB3 TYR 23 HB3 TYR 23 -4.514 10.417 8.398 148 HD1 TYR 23 HD1 TYR 23 -5.041 13.421 6.641 149 HD2 TYR 23 HD2 TYR 23 -2.589 11.694 9.658 150 HE1 TYR 23 HE1 TYR 23 -4.513 15.668 7.490 151 HE2 TYR 23 HE2 TYR 23 -2.054 13.936 10.516 152 HH TYR 23 HH TYR 23 -2.109 16.170 9.987 153 H CYS 24 H CYS 24 -4.266 10.991 4.803 154 HA CYS 24 HA CYS 24 -1.953 12.345 3.587 155 HB2 CYS 24 HB2 CYS 24 -4.406 11.121 2.311 156 HB3 CYS 24 HB3 CYS 24 -3.184 12.033 1.431 157 HA PRO 25 HA PRO 25 -4.689 15.842 4.705 158 HB2 PRO 25 HB2 PRO 25 -2.648 17.608 4.999 159 HB3 PRO 25 HB3 PRO 25 -3.154 16.503 6.282 160 HG2 PRO 25 HG2 PRO 25 -0.874 16.255 4.357 161 HG3 PRO 25 HG3 PRO 25 -0.913 15.911 6.096 162 HD2 PRO 25 HD2 PRO 25 -1.078 13.964 4.221 163 HD3 PRO 25 HD3 PRO 25 -1.894 13.847 5.794 164 H MET 26 H MET 26 -5.376 17.549 3.453 165 HA MET 26 HA MET 26 -4.651 17.499 0.691 166 HB2 MET 26 HB2 MET 26 -6.372 19.511 2.150 167 HB3 MET 26 HB3 MET 26 -6.325 19.239 0.414 168 HG2 MET 26 HG2 MET 26 -7.231 17.231 2.465 169 HG3 MET 26 HG3 MET 26 -8.290 18.235 1.476 170 HE1 MET 26 HE1 MET 26 -6.990 14.157 0.564 171 HE2 MET 26 HE2 MET 26 -5.685 15.099 1.284 172 HE3 MET 26 HE3 MET 26 -7.259 15.023 2.077 173 H GLU 27 H GLU 27 -2.663 18.229 0.186 174 HA GLU 27 HA GLU 27 -2.132 21.033 0.396 175 HB2 GLU 27 HB2 GLU 27 -0.014 20.829 1.647 176 HB3 GLU 27 HB3 GLU 27 -1.412 20.402 2.624 177 HG2 GLU 27 HG2 GLU 27 -0.908 17.991 2.041 178 HG3 GLU 27 HG3 GLU 27 0.632 18.572 1.411 179 H PHE 28 H PHE 28 0.258 21.429 -0.388 180 HA PHE 28 HA PHE 28 0.459 20.585 -3.005 181 HB2 PHE 28 HB2 PHE 28 2.607 21.553 -1.115 182 HB3 PHE 28 HB3 PHE 28 2.879 21.302 -2.836 183 HD1 PHE 28 HD1 PHE 28 1.913 23.617 -0.368 184 HD2 PHE 28 HD2 PHE 28 1.233 22.544 -4.430 185 HE1 PHE 28 HE1 PHE 28 1.077 25.886 -0.824 186 HE2 PHE 28 HE2 PHE 28 0.397 24.811 -4.893 187 HZ PHE 28 HZ PHE 28 0.317 26.485 -3.088 188 H ILE 29 H ILE 29 2.429 19.404 -0.275 189 HA ILE 29 HA ILE 29 2.752 16.867 -1.740 190 HB ILE 29 HB ILE 29 4.813 18.023 0.132 191 HG12 ILE 29 HG12 ILE 29 6.001 18.210 -2.271 192 HG13 ILE 29 HG13 ILE 29 4.334 18.486 -2.764 193 HG21 ILE 29 HG21 ILE 29 4.882 15.607 -0.128 194 HG22 ILE 29 HG22 ILE 29 4.924 15.781 -1.882 195 HG23 ILE 29 HG23 ILE 29 6.278 16.352 -0.907 196 HD11 ILE 29 HD11 ILE 29 4.908 20.623 -2.342 197 HD12 ILE 29 HD12 ILE 29 4.451 20.171 -0.699 198 HD13 ILE 29 HD13 ILE 29 6.150 20.177 -1.172 199 HA PRO 30 HA PRO 30 0.674 15.600 2.074 200 HB2 PRO 30 HB2 PRO 30 -0.104 13.190 1.096 201 HB3 PRO 30 HB3 PRO 30 -0.975 14.690 0.758 202 HG2 PRO 30 HG2 PRO 30 1.007 13.227 -0.942 203 HG3 PRO 30 HG3 PRO 30 -0.526 13.984 -1.412 204 HD2 PRO 30 HD2 PRO 30 1.872 15.172 -1.822 205 HD3 PRO 30 HD3 PRO 30 0.395 16.096 -1.483 206 H HIS 31 H HIS 31 1.887 14.887 3.702 207 HA HIS 31 HA HIS 31 3.804 12.710 3.187 208 HB2 HIS 31 HB2 HIS 31 3.949 14.813 5.355 209 HB3 HIS 31 HB3 HIS 31 5.162 13.587 5.003 210 HD1 HIS 31 HD1 HIS 31 4.706 17.016 4.564 211 HD2 HIS 31 HD2 HIS 31 5.929 13.970 2.017 212 HE1 HIS 31 HE1 HIS 31 5.955 18.156 2.704 213 H CYS 32 H CYS 32 4.179 11.213 4.967 214 HA CYS 32 HA CYS 32 1.675 10.518 6.264 215 HB2 CYS 32 HB2 CYS 32 4.298 9.106 5.860 216 HB3 CYS 32 HB3 CYS 32 3.111 8.492 7.007 217 H LYS 33 H LYS 33 1.674 12.313 7.757 218 HA LYS 33 HA LYS 33 3.554 11.966 9.998 219 HB2 LYS 33 HB2 LYS 33 1.942 14.446 9.405 220 HB3 LYS 33 HB3 LYS 33 3.288 14.280 10.525 221 HG2 LYS 33 HG2 LYS 33 4.748 13.791 8.546 222 HG3 LYS 33 HG3 LYS 33 3.383 14.238 7.520 223 HD2 LYS 33 HD2 LYS 33 3.332 16.455 8.579 224 HD3 LYS 33 HD3 LYS 33 4.719 16.003 9.573 225 HE2 LYS 33 HE2 LYS 33 5.932 15.548 7.381 226 HE3 LYS 33 HE3 LYS 33 4.600 16.392 6.594 227 HZ1 LYS 33 HZ1 LYS 33 6.819 17.575 7.547 228 HZ2 LYS 33 HZ2 LYS 33 5.742 17.808 8.831 229 HZ3 LYS 33 HZ3 LYS 33 5.347 18.367 7.284 230 H LYS 34 H LYS 34 2.669 12.437 12.157 231 HA LYS 34 HA LYS 34 0.232 11.010 12.577 232 HB2 LYS 34 HB2 LYS 34 1.842 12.630 14.558 233 HB3 LYS 34 HB3 LYS 34 0.624 11.421 14.945 234 HG2 LYS 34 HG2 LYS 34 1.988 9.658 14.325 235 HG3 LYS 34 HG3 LYS 34 3.020 10.678 13.320 236 HD2 LYS 34 HD2 LYS 34 2.885 11.222 16.247 237 HD3 LYS 34 HD3 LYS 34 3.819 9.832 15.686 238 HE2 LYS 34 HE2 LYS 34 4.954 11.442 14.079 239 HE3 LYS 34 HE3 LYS 34 4.208 12.738 15.012 240 HZ1 LYS 34 HZ1 LYS 34 5.866 12.584 16.448 241 HZ2 LYS 34 HZ2 LYS 34 6.549 11.299 15.586 242 HZ3 LYS 34 HZ3 LYS 34 5.425 10.992 16.812 243 H TYR 35 H TYR 35 -1.721 11.767 13.428 244 HA TYR 35 HA TYR 35 -2.717 14.140 12.387 245 HB2 TYR 35 HB2 TYR 35 -3.657 12.251 14.508 246 HB3 TYR 35 HB3 TYR 35 -4.508 13.776 14.285 247 HD1 TYR 35 HD1 TYR 35 -4.062 10.428 13.083 248 HD2 TYR 35 HD2 TYR 35 -5.452 14.296 11.984 249 HE1 TYR 35 HE1 TYR 35 -5.337 9.436 11.229 250 HE2 TYR 35 HE2 TYR 35 -6.732 13.315 10.127 251 HH TYR 35 HH TYR 35 -6.918 9.818 9.670 252 H LYS 36 H LYS 36 -3.389 16.099 13.399 253 HA LYS 36 HA LYS 36 -1.489 17.018 15.400 254 HB2 LYS 36 HB2 LYS 36 -3.374 18.343 13.494 255 HB3 LYS 36 HB3 LYS 36 -2.823 19.238 14.904 256 HG2 LYS 36 HG2 LYS 36 -1.352 19.825 13.180 257 HG3 LYS 36 HG3 LYS 36 -0.465 18.662 14.169 258 HD2 LYS 36 HD2 LYS 36 -0.974 16.891 12.590 259 HD3 LYS 36 HD3 LYS 36 -1.951 18.001 11.626 260 HE2 LYS 36 HE2 LYS 36 -0.105 19.150 10.842 261 HE3 LYS 36 HE3 LYS 36 0.907 18.655 12.197 262 HZ1 LYS 36 HZ1 LYS 36 -0.017 16.461 10.583 263 HZ2 LYS 36 HZ2 LYS 36 1.541 16.813 11.138 264 HZ3 LYS 36 HZ3 LYS 36 0.957 17.552 9.733 265 HA PRO 37 HA PRO 37 -4.199 17.049 18.850 266 HB2 PRO 37 HB2 PRO 37 -3.546 19.378 20.082 267 HB3 PRO 37 HB3 PRO 37 -2.482 17.967 20.070 268 HG2 PRO 37 HG2 PRO 37 -2.398 20.417 18.352 269 HG3 PRO 37 HG3 PRO 37 -1.062 19.553 19.135 270 HD2 PRO 37 HD2 PRO 37 -1.653 19.249 16.510 271 HD3 PRO 37 HD3 PRO 37 -0.981 17.935 17.496 272 H TYR 38 H TYR 38 -5.954 18.227 19.937 273 HA TYR 38 HA TYR 38 -7.874 19.185 18.182 274 HB2 TYR 38 HB2 TYR 38 -9.126 19.888 20.164 275 HB3 TYR 38 HB3 TYR 38 -8.394 18.308 20.419 276 HD1 TYR 38 HD1 TYR 38 -8.123 21.899 21.252 277 HD2 TYR 38 HD2 TYR 38 -6.812 17.954 22.156 278 HE1 TYR 38 HE1 TYR 38 -7.066 22.729 23.311 279 HE2 TYR 38 HE2 TYR 38 -5.751 18.773 24.219 280 HH TYR 38 HH TYR 38 -4.804 21.128 24.992 281 H VAL 39 H VAL 39 -8.620 21.206 17.613 282 HA VAL 39 HA VAL 39 -6.679 23.291 17.505 283 HB VAL 39 HB VAL 39 -9.616 23.392 16.799 284 HG11 VAL 39 HG11 VAL 39 -8.574 25.602 17.161 285 HG12 VAL 39 HG12 VAL 39 -7.366 25.206 15.938 286 HG13 VAL 39 HG13 VAL 39 -9.066 25.344 15.488 287 HG21 VAL 39 HG21 VAL 39 -8.973 21.924 15.222 288 HG22 VAL 39 HG22 VAL 39 -8.271 23.341 14.442 289 HG23 VAL 39 HG23 VAL 39 -7.261 22.289 15.434 290 HA PRO 40 HA PRO 40 -7.619 25.279 21.343 291 HB2 PRO 40 HB2 PRO 40 -6.318 27.611 20.855 292 HB3 PRO 40 HB3 PRO 40 -5.478 26.107 21.250 293 HG2 PRO 40 HG2 PRO 40 -5.942 27.371 18.576 294 HG3 PRO 40 HG3 PRO 40 -4.473 26.609 19.214 295 HD2 PRO 40 HD2 PRO 40 -6.154 25.336 17.516 296 HD3 PRO 40 HD3 PRO 40 -5.232 24.479 18.767 297 H VAL 41 H VAL 41 -8.902 26.966 22.165 298 HA VAL 41 HA VAL 41 -11.055 27.777 20.506 299 HB VAL 41 HB VAL 41 -10.339 28.906 23.213 300 HG11 VAL 41 HG11 VAL 41 -12.852 29.155 23.335 301 HG12 VAL 41 HG12 VAL 41 -12.023 30.227 22.205 302 HG13 VAL 41 HG13 VAL 41 -12.881 28.806 21.607 303 HG21 VAL 41 HG21 VAL 41 -12.188 27.110 23.829 304 HG22 VAL 41 HG22 VAL 41 -11.518 26.298 22.414 305 HG23 VAL 41 HG23 VAL 41 -10.474 26.699 23.778 306 H THR 42 H THR 42 -11.546 29.730 19.596 307 HA THR 42 HA THR 42 -9.501 31.363 18.664 308 HB THR 42 HB THR 42 -11.210 32.911 17.915 309 HG1 THR 42 HG1 THR 42 -13.154 33.014 18.830 310 HG21 THR 42 HG21 THR 42 -12.926 30.769 17.320 311 HG22 THR 42 HG22 THR 42 -11.313 30.072 17.464 312 HG23 THR 42 HG23 THR 42 -11.606 31.392 16.332 313 H THR 43 H THR 43 -8.505 33.163 19.381 314 HA THR 43 HA THR 43 -8.407 33.790 22.085 315 HB THR 43 HB THR 43 -7.803 35.962 20.137 316 HG1 THR 43 HG1 THR 43 -6.405 34.800 19.044 317 HG21 THR 43 HG21 THR 43 -7.278 35.743 22.722 318 HG22 THR 43 HG22 THR 43 -6.143 36.518 21.616 319 HG23 THR 43 HG23 THR 43 -5.883 34.848 22.120 320 H SER 44 H SER 44 -9.490 35.144 23.404 321 HA SER 44 HA SER 44 -12.028 36.141 22.574 322 HB2 SER 44 HB2 SER 44 -12.420 36.601 24.816 323 HB3 SER 44 HB3 SER 44 -11.214 35.320 24.932 324 HG SER 44 HG SER 44 -11.071 37.797 25.873 325 H PHE 45 H PHE 45 -12.746 38.300 22.503 326 HA PHE 45 HA PHE 45 -10.660 40.181 21.697 327 HB2 PHE 45 HB2 PHE 45 -13.666 40.356 21.399 328 HB3 PHE 45 HB3 PHE 45 -12.502 41.499 20.736 329 HD1 PHE 45 HD1 PHE 45 -14.560 38.890 19.896 330 HD2 PHE 45 HD2 PHE 45 -10.548 40.201 19.348 331 HE1 PHE 45 HE1 PHE 45 -14.399 37.529 17.853 332 HE2 PHE 45 HE2 PHE 45 -10.380 38.843 17.303 333 HZ PHE 45 HZ PHE 45 -12.307 37.506 16.552 334 H ASN 46 H ASN 46 -10.650 42.362 22.457 335 HA ASN 46 HA ASN 46 -12.285 43.244 24.601 336 HB2 ASN 46 HB2 ASN 46 -10.574 41.478 25.578 337 HB3 ASN 46 HB3 ASN 46 -9.470 42.848 25.522 338 HD21 ASN 46 HD21 ASN 46 -9.277 43.109 27.698 339 HD22 ASN 46 HD22 ASN 46 -10.574 43.628 28.715 340 H CYS 47 H CYS 47 -11.918 45.410 25.141 341 HA CYS 47 HA CYS 47 -10.775 47.003 23.126 342 HB2 CYS 47 HB2 CYS 47 -11.163 48.890 24.704 343 HB3 CYS 47 HB3 CYS 47 -12.575 47.860 24.491 344 H ALA 48 H ALA 48 -9.197 48.863 23.819 345 HA ALA 48 HA ALA 48 -6.784 47.533 24.809 346 HB1 ALA 48 HB1 ALA 48 -7.218 50.003 23.152 347 HB2 ALA 48 HB2 ALA 48 -5.648 49.585 23.840 348 HB3 ALA 48 HB3 ALA 48 -6.425 48.497 22.690 349 H LYS 49 H LYS 49 -6.330 47.791 26.889 350 HA LYS 49 HA LYS 49 -7.415 49.962 28.429 351 HB2 LYS 49 HB2 LYS 49 -6.256 48.914 30.320 352 HB3 LYS 49 HB3 LYS 49 -7.193 47.736 29.412 353 HG2 LYS 49 HG2 LYS 49 -5.193 46.913 28.339 354 HG3 LYS 49 HG3 LYS 49 -4.224 48.157 29.132 355 HD2 LYS 49 HD2 LYS 49 -3.846 46.373 30.527 356 HD3 LYS 49 HD3 LYS 49 -5.246 47.107 31.314 357 HE2 LYS 49 HE2 LYS 49 -5.679 45.033 29.215 358 HE3 LYS 49 HE3 LYS 49 -5.167 44.527 30.824 359 HZ1 LYS 49 HZ1 LYS 49 -7.474 44.477 30.910 360 HZ2 LYS 49 HZ2 LYS 49 -7.651 45.916 30.039 361 HZ3 LYS 49 HZ3 LYS 49 -7.096 45.958 31.636 362 H GLU 50 H GLU 50 -5.928 51.196 29.943 363 HA GLU 50 HA GLU 50 -4.284 52.899 28.526 364 HB2 GLU 50 HB2 GLU 50 -5.239 53.285 30.820 365 HB3 GLU 50 HB3 GLU 50 -3.967 52.254 31.459 366 HG2 GLU 50 HG2 GLU 50 -2.293 53.782 30.932 367 HG3 GLU 50 HG3 GLU 50 -3.318 54.652 29.791 368 H GLY 51 H GLY 51 -2.295 52.768 27.714 369 HA2 GLY 51 HA2 GLY 51 0.040 52.232 27.956 370 HA3 GLY 51 HA3 GLY 51 -0.427 50.805 28.871 371 H GLU 52 H GLU 52 -2.556 50.123 26.941 372 HA GLU 52 HA GLU 52 -1.050 48.419 25.272 373 HB2 GLU 52 HB2 GLU 52 -3.947 49.235 24.984 374 HB3 GLU 52 HB3 GLU 52 -3.187 47.833 24.244 375 HG2 GLU 52 HG2 GLU 52 -3.445 48.272 27.209 376 HG3 GLU 52 HG3 GLU 52 -4.541 47.294 26.235 377 H VAL 53 H VAL 53 -0.948 48.384 22.955 378 HA VAL 53 HA VAL 53 -0.561 51.048 21.848 379 HB VAL 53 HB VAL 53 0.023 48.389 20.542 380 HG11 VAL 53 HG11 VAL 53 0.890 51.213 19.950 381 HG12 VAL 53 HG12 VAL 53 1.630 49.785 19.223 382 HG13 VAL 53 HG13 VAL 53 -0.071 50.144 18.929 383 HG21 VAL 53 HG21 VAL 53 1.673 48.136 22.011 384 HG22 VAL 53 HG22 VAL 53 2.418 49.585 21.337 385 HG23 VAL 53 HG23 VAL 53 1.348 49.712 22.733 386 H CYS 54 H CYS 54 -1.500 51.769 19.913 387 HA CYS 54 HA CYS 54 -3.966 50.346 19.151 388 HB2 CYS 54 HB2 CYS 54 -3.485 53.323 18.952 389 HB3 CYS 54 HB3 CYS 54 -5.005 52.470 18.701 390 H GLY 55 H GLY 55 -4.561 50.328 16.953 391 HA2 GLY 55 HA2 GLY 55 -3.782 51.437 14.733 392 HA3 GLY 55 HA3 GLY 55 -2.268 50.645 15.145 393 H TRP 56 H TRP 56 -3.559 48.296 16.283 394 HA TRP 56 HA TRP 56 -4.089 46.919 13.774 395 HB2 TRP 56 HB2 TRP 56 -3.810 45.762 16.555 396 HB3 TRP 56 HB3 TRP 56 -3.791 44.870 15.036 397 HD1 TRP 56 HD1 TRP 56 -1.635 47.343 17.057 398 HE1 TRP 56 HE1 TRP 56 0.811 47.086 16.298 399 HE3 TRP 56 HE3 TRP 56 -2.326 44.082 13.181 400 HZ2 TRP 56 HZ2 TRP 56 2.256 45.686 14.318 401 HZ3 TRP 56 HZ3 TRP 56 -0.360 43.333 11.905 402 HH2 TRP 56 HH2 TRP 56 1.882 44.120 12.463 403 H GLY 57 H GLY 57 -6.154 48.596 14.336 404 HA2 GLY 57 HA2 GLY 57 -8.447 48.616 14.456 405 HA3 GLY 57 HA3 GLY 57 -8.380 46.866 14.311 406 H SER 58 H SER 58 -6.860 48.680 16.902 407 HA SER 58 HA SER 58 -8.810 47.498 18.771 408 HB2 SER 58 HB2 SER 58 -5.860 47.619 18.809 409 HB3 SER 58 HB3 SER 58 -6.644 47.996 20.343 410 HG SER 58 HG SER 58 -6.150 45.641 19.504 411 H LYS 59 H LYS 59 -10.100 48.955 19.656 412 HA LYS 59 HA LYS 59 -9.236 51.743 19.822 413 HB2 LYS 59 HB2 LYS 59 -11.957 50.496 20.254 414 HB3 LYS 59 HB3 LYS 59 -11.613 52.220 20.304 415 HG2 LYS 59 HG2 LYS 59 -12.228 52.189 18.158 416 HG3 LYS 59 HG3 LYS 59 -10.611 51.543 17.869 417 HD2 LYS 59 HD2 LYS 59 -12.584 49.519 18.632 418 HD3 LYS 59 HD3 LYS 59 -12.953 50.344 17.115 419 HE2 LYS 59 HE2 LYS 59 -10.341 49.879 16.741 420 HE3 LYS 59 HE3 LYS 59 -10.723 48.525 17.803 421 HZ1 LYS 59 HZ1 LYS 59 -11.420 48.938 15.053 422 HZ2 LYS 59 HZ2 LYS 59 -12.754 48.515 16.003 423 HZ3 LYS 59 HZ3 LYS 59 -11.395 47.508 15.957 424 H CYS 60 H CYS 60 -9.227 52.919 21.731 425 HA CYS 60 HA CYS 60 -8.501 51.512 24.071 426 HB2 CYS 60 HB2 CYS 60 -9.207 54.412 23.602 427 HB3 CYS 60 HB3 CYS 60 -8.641 53.795 25.151 428 H CYS 61 H CYS 61 -9.566 51.280 26.047 429 HA CYS 61 HA CYS 61 -12.322 50.704 25.901 430 HB2 CYS 61 HB2 CYS 61 -10.672 51.136 28.399 431 HB3 CYS 61 HB3 CYS 61 -12.181 50.237 28.275 432 H HIS 62 H HIS 62 -13.894 51.619 27.591 433 HA HIS 62 HA HIS 62 -14.470 54.270 26.967 434 HB2 HIS 62 HB2 HIS 62 -16.061 52.533 27.888 435 HB3 HIS 62 HB3 HIS 62 -15.376 52.855 29.478 436 HD1 HIS 62 HD1 HIS 62 -17.957 53.982 27.191 437 HD2 HIS 62 HD2 HIS 62 -15.780 55.645 30.314 438 HE1 HIS 62 HE1 HIS 62 -19.233 56.036 27.881 439 H GLY 63 H GLY 63 -13.689 56.153 27.655 440 HA2 GLY 63 HA2 GLY 63 -12.940 57.714 29.242 441 HA3 GLY 63 HA3 GLY 63 -12.621 56.394 30.358 442 H LEU 64 H LEU 64 -11.451 55.999 27.159 443 HA LEU 64 HA LEU 64 -8.806 57.036 27.857 444 HB2 LEU 64 HB2 LEU 64 -9.391 54.203 27.020 445 HB3 LEU 64 HB3 LEU 64 -7.781 54.919 26.990 446 HG LEU 64 HG LEU 64 -9.394 54.777 29.520 447 HD11 LEU 64 HD11 LEU 64 -9.322 52.516 28.903 448 HD12 LEU 64 HD12 LEU 64 -7.957 52.732 29.997 449 HD13 LEU 64 HD13 LEU 64 -7.688 52.654 28.256 450 HD21 LEU 64 HD21 LEU 64 -6.582 55.374 28.752 451 HD22 LEU 64 HD22 LEU 64 -6.883 54.594 30.305 452 HD23 LEU 64 HD23 LEU 64 -7.620 56.156 29.945 453 H ASP 65 H ASP 65 -7.350 57.155 25.992 454 HA ASP 65 HA ASP 65 -8.523 56.886 23.359 455 HB2 ASP 65 HB2 ASP 65 -9.163 59.189 24.395 456 HB3 ASP 65 HB3 ASP 65 -7.484 59.610 24.073 457 H CYS 66 H CYS 66 -6.962 57.292 21.635 458 HA CYS 66 HA CYS 66 -4.191 56.937 22.573 459 HB2 CYS 66 HB2 CYS 66 -5.789 55.331 20.825 460 HB3 CYS 66 HB3 CYS 66 -4.452 56.008 19.901 461 HA PRO 67 HA PRO 67 -3.295 60.712 20.456 462 HB2 PRO 67 HB2 PRO 67 -0.589 60.493 20.470 463 HB3 PRO 67 HB3 PRO 67 -1.526 60.916 21.908 464 HG2 PRO 67 HG2 PRO 67 -0.388 58.267 21.100 465 HG3 PRO 67 HG3 PRO 67 -0.399 59.041 22.696 466 HD2 PRO 67 HD2 PRO 67 -2.152 57.095 22.008 467 HD3 PRO 67 HD3 PRO 67 -2.573 58.407 23.127 468 H LEU 68 H LEU 68 -2.097 61.466 18.531 469 HA LEU 68 HA LEU 68 -2.185 59.431 16.432 470 HB2 LEU 68 HB2 LEU 68 -2.408 62.400 16.499 471 HB3 LEU 68 HB3 LEU 68 -1.852 61.626 15.016 472 HG LEU 68 HG LEU 68 -4.228 62.084 14.899 473 HD11 LEU 68 HD11 LEU 68 -3.138 59.913 14.009 474 HD12 LEU 68 HD12 LEU 68 -4.896 60.036 14.056 475 HD13 LEU 68 HD13 LEU 68 -4.042 59.127 15.303 476 HD21 LEU 68 HD21 LEU 68 -4.371 61.754 17.522 477 HD22 LEU 68 HD22 LEU 68 -4.850 60.125 17.044 478 HD23 LEU 68 HD23 LEU 68 -5.772 61.518 16.477 479 H ALA 69 H ALA 69 -0.239 58.382 16.570 480 HA ALA 69 HA ALA 69 2.031 59.759 15.467 481 HB1 ALA 69 HB1 ALA 69 3.570 59.254 17.315 482 HB2 ALA 69 HB2 ALA 69 2.305 60.387 17.794 483 HB3 ALA 69 HB3 ALA 69 2.206 58.695 18.284 484 H PHE 70 H PHE 70 4.038 58.058 15.822 485 HA PHE 70 HA PHE 70 3.521 55.938 14.125 486 HB2 PHE 70 HB2 PHE 70 5.716 56.594 16.029 487 HB3 PHE 70 HB3 PHE 70 5.661 54.959 15.377 488 HD1 PHE 70 HD1 PHE 70 5.872 58.531 14.457 489 HD2 PHE 70 HD2 PHE 70 6.356 54.500 13.179 490 HE1 PHE 70 HE1 PHE 70 6.977 59.318 12.405 491 HE2 PHE 70 HE2 PHE 70 7.462 55.281 11.124 492 HZ PHE 70 HZ PHE 70 7.772 57.693 10.734 493 H ILE 71 H ILE 71 4.235 55.566 17.601 494 HA ILE 71 HA ILE 71 2.328 53.321 17.654 495 HB ILE 71 HB ILE 71 4.876 53.426 19.264 496 HG12 ILE 71 HG12 ILE 71 5.400 53.257 16.866 497 HG13 ILE 71 HG13 ILE 71 5.776 51.759 17.711 498 HG21 ILE 71 HG21 ILE 71 2.997 51.137 18.703 499 HG22 ILE 71 HG22 ILE 71 4.403 51.118 19.767 500 HG23 ILE 71 HG23 ILE 71 2.997 52.100 20.180 501 HD11 ILE 71 HD11 ILE 71 3.084 51.770 16.642 502 HD12 ILE 71 HD12 ILE 71 4.311 52.010 15.398 503 HD13 ILE 71 HD13 ILE 71 4.381 50.591 16.443 504 HA PRO 72 HA PRO 72 1.033 56.402 20.823 505 HB2 PRO 72 HB2 PRO 72 -1.623 56.000 20.432 506 HB3 PRO 72 HB3 PRO 72 -0.667 57.116 19.452 507 HG2 PRO 72 HG2 PRO 72 -1.525 54.315 18.838 508 HG3 PRO 72 HG3 PRO 72 -1.520 55.740 17.783 509 HD2 PRO 72 HD2 PRO 72 0.411 53.845 17.681 510 HD3 PRO 72 HD3 PRO 72 0.734 55.556 17.335 511 H TYR 73 H TYR 73 -0.434 56.071 22.714 512 HA TYR 73 HA TYR 73 -0.913 53.273 23.405 513 HB2 TYR 73 HB2 TYR 73 0.634 55.115 25.235 514 HB3 TYR 73 HB3 TYR 73 0.262 53.416 25.507 515 HD1 TYR 73 HD1 TYR 73 1.208 51.748 23.736 516 HD2 TYR 73 HD2 TYR 73 2.679 55.699 24.308 517 HE1 TYR 73 HE1 TYR 73 3.327 51.108 22.664 518 HE2 TYR 73 HE2 TYR 73 4.802 55.071 23.236 519 HH TYR 73 HH TYR 73 5.758 53.463 21.849 520 H CYS 74 H CYS 74 -2.752 52.996 24.511 521 HA CYS 74 HA CYS 74 -4.654 54.971 24.794 522 HB2 CYS 74 HB2 CYS 74 -4.299 52.329 26.195 523 HB3 CYS 74 HB3 CYS 74 -5.683 53.367 26.526 524 H GLU 75 H GLU 75 -5.284 56.370 26.377 525 HA GLU 75 HA GLU 75 -4.119 56.308 29.008 526 HB2 GLU 75 HB2 GLU 75 -3.018 58.468 28.899 527 HB3 GLU 75 HB3 GLU 75 -2.323 57.384 27.702 528 HG2 GLU 75 HG2 GLU 75 -3.797 58.459 25.995 529 HG3 GLU 75 HG3 GLU 75 -4.252 59.639 27.223 530 H LYS 76 H LYS 76 -5.128 57.752 30.469 531 HA LYS 76 HA LYS 76 -7.841 58.126 30.154 532 HB2 LYS 76 HB2 LYS 76 -5.977 59.749 31.897 533 HB3 LYS 76 HB3 LYS 76 -7.721 59.632 32.093 534 HG2 LYS 76 HG2 LYS 76 -6.077 57.146 32.128 535 HG3 LYS 76 HG3 LYS 76 -6.125 58.183 33.555 536 HD2 LYS 76 HD2 LYS 76 -8.693 57.426 32.248 537 HD3 LYS 76 HD3 LYS 76 -7.857 56.223 33.232 538 HE2 LYS 76 HE2 LYS 76 -9.181 57.216 34.818 539 HE3 LYS 76 HE3 LYS 76 -7.722 58.195 34.959 540 HZ1 LYS 76 HZ1 LYS 76 -9.895 59.007 33.141 541 HZ2 LYS 76 HZ2 LYS 76 -8.701 59.962 33.863 542 HZ3 LYS 76 HZ3 LYS 76 -9.983 59.366 34.792 543 H TYR 77 H TYR 77 -8.965 59.394 28.845 544 HA TYR 77 HA TYR 77 -7.934 61.330 27.164 545 HB2 TYR 77 HB2 TYR 77 -10.181 61.921 26.641 546 HB3 TYR 77 HB3 TYR 77 -10.193 60.200 27.010 547 HD1 TYR 77 HD1 TYR 77 -10.829 59.551 29.445 548 HD2 TYR 77 HD2 TYR 77 -11.689 63.336 27.701 549 HE1 TYR 77 HE1 TYR 77 -12.585 59.920 31.126 550 HE2 TYR 77 HE2 TYR 77 -13.447 63.716 29.379 551 HH TYR 77 HH TYR 77 -14.403 62.962 31.247 552 H ARG 78 H ARG 78 -7.492 63.453 27.306 553 HA ARG 78 HA ARG 78 -7.380 64.659 29.908 554 HB2 ARG 78 HB2 ARG 78 -5.592 65.068 28.321 555 HB3 ARG 78 HB3 ARG 78 -6.729 65.748 27.165 556 HG2 ARG 78 HG2 ARG 78 -7.215 67.557 28.798 557 HG3 ARG 78 HG3 ARG 78 -5.934 66.909 29.824 558 HD2 ARG 78 HD2 ARG 78 -4.974 68.681 28.575 559 HD3 ARG 78 HD3 ARG 78 -4.378 67.180 27.866 560 HE ARG 78 HE ARG 78 -6.528 67.724 26.346 561 HH11 ARG 78 HH11 ARG 78 -3.812 69.656 27.350 562 HH12 ARG 78 HH12 ARG 78 -3.821 70.642 25.925 563 HH21 ARG 78 HH21 ARG 78 -6.550 69.015 24.466 564 HH22 ARG 78 HH22 ARG 78 -5.379 70.277 24.286 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -2.294 0.623 -3.205 2 HA2 GLY 1 HA2 GLY 1 -0.799 -1.210 -4.957 3 HA3 GLY 1 HA3 GLY 1 -1.171 0.413 -5.521 4 H ASP 2 H ASP 2 0.032 2.125 -4.818 5 HA ASP 2 HA ASP 2 2.268 1.478 -3.010 6 HB2 ASP 2 HB2 ASP 2 2.302 3.520 -5.239 7 HB3 ASP 2 HB3 ASP 2 3.666 3.000 -4.254 8 H CYS 3 H CYS 3 2.653 2.800 -1.316 9 HA CYS 3 HA CYS 3 1.817 5.496 -1.146 10 HB2 CYS 3 HB2 CYS 3 0.069 5.257 0.576 11 HB3 CYS 3 HB3 CYS 3 -0.415 4.526 -0.951 12 H ALA 4 H ALA 4 1.987 6.295 1.200 13 HA ALA 4 HA ALA 4 4.367 5.051 2.357 14 HB1 ALA 4 HB1 ALA 4 4.723 7.334 1.996 15 HB2 ALA 4 HB2 ALA 4 3.131 7.773 2.617 16 HB3 ALA 4 HB3 ALA 4 4.386 7.214 3.723 17 H LYS 5 H LYS 5 4.365 4.016 4.255 18 HA LYS 5 HA LYS 5 1.948 3.307 5.527 19 HB2 LYS 5 HB2 LYS 5 4.838 2.846 6.007 20 HB3 LYS 5 HB3 LYS 5 3.776 2.658 7.396 21 HG2 LYS 5 HG2 LYS 5 4.100 0.529 6.328 22 HG3 LYS 5 HG3 LYS 5 2.426 1.045 6.117 23 HD2 LYS 5 HD2 LYS 5 4.188 1.934 3.967 24 HD3 LYS 5 HD3 LYS 5 4.106 0.177 4.120 25 HE2 LYS 5 HE2 LYS 5 1.483 1.321 4.375 26 HE3 LYS 5 HE3 LYS 5 2.249 1.889 2.892 27 HZ1 LYS 5 HZ1 LYS 5 2.537 -0.303 2.135 28 HZ2 LYS 5 HZ2 LYS 5 0.952 -0.241 2.723 29 HZ3 LYS 5 HZ3 LYS 5 2.168 -0.974 3.644 30 H GLU 6 H GLU 6 1.529 3.622 7.888 31 HA GLU 6 HA GLU 6 1.252 6.358 8.474 32 HB2 GLU 6 HB2 GLU 6 -0.306 4.808 9.416 33 HB3 GLU 6 HB3 GLU 6 0.978 3.898 10.198 34 HG2 GLU 6 HG2 GLU 6 1.434 5.794 11.666 35 HG3 GLU 6 HG3 GLU 6 0.148 6.709 10.881 36 H GLY 7 H GLY 7 2.564 7.785 9.419 37 HA2 GLY 7 HA2 GLY 7 4.162 8.501 11.007 38 HA3 GLY 7 HA3 GLY 7 4.713 6.839 11.167 39 H GLU 8 H GLU 8 4.843 6.512 8.222 40 HA GLU 8 HA GLU 8 7.549 7.314 7.886 41 HB2 GLU 8 HB2 GLU 8 5.506 6.039 6.090 42 HB3 GLU 8 HB3 GLU 8 7.067 6.544 5.457 43 HG2 GLU 8 HG2 GLU 8 6.633 4.598 7.712 44 HG3 GLU 8 HG3 GLU 8 7.046 4.180 6.050 45 H VAL 9 H VAL 9 8.356 8.608 6.063 46 HA VAL 9 HA VAL 9 7.033 11.151 5.975 47 HB VAL 9 HB VAL 9 9.434 10.292 4.361 48 HG11 VAL 9 HG11 VAL 9 8.497 12.360 3.587 49 HG12 VAL 9 HG12 VAL 9 8.396 12.985 5.235 50 HG13 VAL 9 HG13 VAL 9 9.971 12.719 4.486 51 HG21 VAL 9 HG21 VAL 9 10.296 9.887 6.424 52 HG22 VAL 9 HG22 VAL 9 10.539 11.633 6.385 53 HG23 VAL 9 HG23 VAL 9 9.151 10.955 7.236 54 H CYS 10 H CYS 10 6.284 12.249 4.123 55 HA CYS 10 HA CYS 10 5.472 10.463 1.924 56 HB2 CYS 10 HB2 CYS 10 3.478 11.753 1.661 57 HB3 CYS 10 HB3 CYS 10 3.632 11.389 3.376 58 H SER 11 H SER 11 5.660 11.172 -0.188 59 HA SER 11 HA SER 11 7.023 13.744 -0.607 60 HB2 SER 11 HB2 SER 11 8.483 12.680 -2.288 61 HB3 SER 11 HB3 SER 11 8.719 11.976 -0.688 62 HG SER 11 HG SER 11 7.960 10.775 -2.967 63 H TRP 12 H TRP 12 7.171 14.048 -3.169 64 HA TRP 12 HA TRP 12 4.555 14.504 -4.049 65 HB2 TRP 12 HB2 TRP 12 6.454 15.782 -4.899 66 HB3 TRP 12 HB3 TRP 12 7.112 14.335 -5.659 67 HD1 TRP 12 HD1 TRP 12 4.603 17.105 -6.195 68 HE1 TRP 12 HE1 TRP 12 3.567 16.875 -8.540 69 HE3 TRP 12 HE3 TRP 12 6.424 12.492 -7.439 70 HZ2 TRP 12 HZ2 TRP 12 3.526 14.988 -10.639 71 HZ3 TRP 12 HZ3 TRP 12 5.839 11.546 -9.634 72 HH2 TRP 12 HH2 TRP 12 4.420 12.769 -11.199 73 H GLY 13 H GLY 13 6.818 11.881 -4.774 74 HA2 GLY 13 HA2 GLY 13 4.915 10.609 -6.565 75 HA3 GLY 13 HA3 GLY 13 6.524 10.026 -6.165 76 H LYS 14 H LYS 14 5.887 10.384 -3.245 77 HA LYS 14 HA LYS 14 4.421 7.857 -2.943 78 HB2 LYS 14 HB2 LYS 14 6.846 8.327 -2.033 79 HB3 LYS 14 HB3 LYS 14 5.980 9.117 -0.722 80 HG2 LYS 14 HG2 LYS 14 6.241 6.997 0.110 81 HG3 LYS 14 HG3 LYS 14 4.642 6.885 -0.628 82 HD2 LYS 14 HD2 LYS 14 5.766 4.948 -1.331 83 HD3 LYS 14 HD3 LYS 14 5.851 6.043 -2.713 84 HE2 LYS 14 HE2 LYS 14 8.017 5.218 -2.558 85 HE3 LYS 14 HE3 LYS 14 8.117 6.763 -1.715 86 HZ1 LYS 14 HZ1 LYS 14 8.991 4.446 -0.711 87 HZ2 LYS 14 HZ2 LYS 14 7.437 4.498 -0.047 88 HZ3 LYS 14 HZ3 LYS 14 8.520 5.766 0.236 89 H LYS 15 H LYS 15 2.332 8.155 -2.528 90 HA LYS 15 HA LYS 15 1.519 10.419 -0.844 91 HB2 LYS 15 HB2 LYS 15 -0.031 8.673 -2.759 92 HB3 LYS 15 HB3 LYS 15 -0.792 9.847 -1.693 93 HG2 LYS 15 HG2 LYS 15 1.395 10.718 -3.525 94 HG3 LYS 15 HG3 LYS 15 -0.239 10.480 -4.150 95 HD2 LYS 15 HD2 LYS 15 -1.131 12.115 -2.670 96 HD3 LYS 15 HD3 LYS 15 0.376 12.200 -1.754 97 HE2 LYS 15 HE2 LYS 15 0.328 12.864 -4.673 98 HE3 LYS 15 HE3 LYS 15 -0.176 14.058 -3.478 99 HZ1 LYS 15 HZ1 LYS 15 2.183 13.070 -2.513 100 HZ2 LYS 15 HZ2 LYS 15 1.967 14.555 -3.293 101 HZ3 LYS 15 HZ3 LYS 15 2.454 13.198 -4.178 102 H CYS 16 H CYS 16 0.593 10.133 1.106 103 HA CYS 16 HA CYS 16 0.934 7.821 2.572 104 HB2 CYS 16 HB2 CYS 16 0.214 10.296 3.233 105 HB3 CYS 16 HB3 CYS 16 -1.387 9.564 3.253 106 H CYS 17 H CYS 17 -0.365 6.105 3.176 107 HA CYS 17 HA CYS 17 -2.159 5.123 1.230 108 HB2 CYS 17 HB2 CYS 17 -1.893 4.173 4.087 109 HB3 CYS 17 HB3 CYS 17 -2.491 3.251 2.712 110 H ASP 18 H ASP 18 -2.626 6.789 4.288 111 HA ASP 18 HA ASP 18 -5.507 6.940 3.687 112 HB2 ASP 18 HB2 ASP 18 -4.137 6.561 6.347 113 HB3 ASP 18 HB3 ASP 18 -5.798 7.131 6.217 114 H LEU 19 H LEU 19 -5.080 8.921 2.582 115 HA LEU 19 HA LEU 19 -3.819 11.133 3.828 116 HB2 LEU 19 HB2 LEU 19 -5.820 11.116 1.575 117 HB3 LEU 19 HB3 LEU 19 -4.753 12.451 2.006 118 HG LEU 19 HG LEU 19 -3.812 9.762 1.011 119 HD11 LEU 19 HD11 LEU 19 -3.214 11.190 -1.032 120 HD12 LEU 19 HD12 LEU 19 -4.403 12.334 -0.411 121 HD13 LEU 19 HD13 LEU 19 -4.894 10.694 -0.831 122 HD21 LEU 19 HD21 LEU 19 -1.666 10.630 1.000 123 HD22 LEU 19 HD22 LEU 19 -2.333 11.284 2.496 124 HD23 LEU 19 HD23 LEU 19 -2.229 12.301 1.059 125 H ASP 20 H ASP 20 -7.138 9.999 3.679 126 HA ASP 20 HA ASP 20 -8.451 12.272 4.626 127 HB2 ASP 20 HB2 ASP 20 -9.109 9.347 5.016 128 HB3 ASP 20 HB3 ASP 20 -10.203 10.667 5.421 129 H ASN 21 H ASN 21 -6.719 9.740 6.340 130 HA ASN 21 HA ASN 21 -7.443 10.880 8.924 131 HB2 ASN 21 HB2 ASN 21 -6.022 8.379 8.057 132 HB3 ASN 21 HB3 ASN 21 -5.906 8.940 9.722 133 HD21 ASN 21 HD21 ASN 21 -7.384 6.752 7.986 134 HD22 ASN 21 HD22 ASN 21 -8.932 6.687 8.751 135 H PHE 22 H PHE 22 -4.421 9.979 7.251 136 HA PHE 22 HA PHE 22 -2.955 11.857 8.940 137 HB2 PHE 22 HB2 PHE 22 -1.801 10.011 6.850 138 HB3 PHE 22 HB3 PHE 22 -0.963 10.778 8.195 139 HD1 PHE 22 HD1 PHE 22 -1.718 7.735 7.148 140 HD2 PHE 22 HD2 PHE 22 -2.611 10.228 10.481 141 HE1 PHE 22 HE1 PHE 22 -2.119 5.739 8.529 142 HE2 PHE 22 HE2 PHE 22 -3.012 8.235 11.868 143 HZ PHE 22 HZ PHE 22 -2.768 5.987 10.892 144 H TYR 23 H TYR 23 -1.850 13.622 8.171 145 HA TYR 23 HA TYR 23 -2.162 14.264 5.319 146 HB2 TYR 23 HB2 TYR 23 -2.746 16.554 5.851 147 HB3 TYR 23 HB3 TYR 23 -3.873 15.470 6.658 148 HD1 TYR 23 HD1 TYR 23 -1.916 18.321 7.075 149 HD2 TYR 23 HD2 TYR 23 -3.098 14.787 9.128 150 HE1 TYR 23 HE1 TYR 23 -1.413 19.408 9.224 151 HE2 TYR 23 HE2 TYR 23 -2.600 15.864 11.282 152 HH TYR 23 HH TYR 23 -1.418 19.213 11.431 153 H CYS 24 H CYS 24 -0.657 15.921 4.550 154 HA CYS 24 HA CYS 24 1.894 15.780 6.011 155 HB2 CYS 24 HB2 CYS 24 1.373 16.214 3.062 156 HB3 CYS 24 HB3 CYS 24 2.964 16.194 3.815 157 HA PRO 25 HA PRO 25 0.738 20.186 6.458 158 HB2 PRO 25 HB2 PRO 25 2.075 20.508 8.799 159 HB3 PRO 25 HB3 PRO 25 0.438 19.847 8.711 160 HG2 PRO 25 HG2 PRO 25 3.049 18.408 8.976 161 HG3 PRO 25 HG3 PRO 25 1.517 18.110 9.817 162 HD2 PRO 25 HD2 PRO 25 2.334 16.623 7.707 163 HD3 PRO 25 HD3 PRO 25 0.621 16.951 8.038 164 H MET 26 H MET 26 2.082 22.111 6.568 165 HA MET 26 HA MET 26 4.467 21.839 5.027 166 HB2 MET 26 HB2 MET 26 3.481 24.308 6.459 167 HB3 MET 26 HB3 MET 26 4.580 24.243 5.088 168 HG2 MET 26 HG2 MET 26 1.674 23.462 5.071 169 HG3 MET 26 HG3 MET 26 2.362 24.941 4.404 170 HE1 MET 26 HE1 MET 26 4.795 23.682 1.844 171 HE2 MET 26 HE2 MET 26 3.414 24.686 1.403 172 HE3 MET 26 HE3 MET 26 4.251 24.959 2.932 173 H GLU 27 H GLU 27 6.213 20.962 5.965 174 HA GLU 27 HA GLU 27 7.540 22.386 8.063 175 HB2 GLU 27 HB2 GLU 27 7.652 20.510 9.659 176 HB3 GLU 27 HB3 GLU 27 6.011 21.105 9.448 177 HG2 GLU 27 HG2 GLU 27 5.726 19.221 7.758 178 HG3 GLU 27 HG3 GLU 27 7.223 18.566 8.418 179 H PHE 28 H PHE 28 9.600 21.162 8.722 180 HA PHE 28 HA PHE 28 11.188 20.743 6.506 181 HB2 PHE 28 HB2 PHE 28 11.523 19.712 9.328 182 HB3 PHE 28 HB3 PHE 28 12.779 19.614 8.098 183 HD1 PHE 28 HD1 PHE 28 11.418 21.558 10.704 184 HD2 PHE 28 HD2 PHE 28 13.442 21.861 6.972 185 HE1 PHE 28 HE1 PHE 28 12.168 23.824 11.299 186 HE2 PHE 28 HE2 PHE 28 14.196 24.127 7.561 187 HZ PHE 28 HZ PHE 28 13.559 25.112 9.727 188 H ILE 29 H ILE 29 9.902 18.213 8.668 189 HA ILE 29 HA ILE 29 10.043 16.343 6.394 190 HB ILE 29 HB ILE 29 10.404 15.554 9.282 191 HG12 ILE 29 HG12 ILE 29 12.838 15.138 8.227 192 HG13 ILE 29 HG13 ILE 29 12.352 16.525 7.258 193 HG21 ILE 29 HG21 ILE 29 9.591 13.948 7.392 194 HG22 ILE 29 HG22 ILE 29 11.289 13.961 6.919 195 HG23 ILE 29 HG23 ILE 29 10.827 13.418 8.532 196 HD11 ILE 29 HD11 ILE 29 12.968 16.343 10.143 197 HD12 ILE 29 HD12 ILE 29 13.342 17.612 8.976 198 HD13 ILE 29 HD13 ILE 29 11.716 17.481 9.646 199 HA PRO 30 HA PRO 30 5.638 16.384 7.419 200 HB2 PRO 30 HB2 PRO 30 4.864 15.293 5.057 201 HB3 PRO 30 HB3 PRO 30 5.237 17.011 5.246 202 HG2 PRO 30 HG2 PRO 30 6.949 14.809 4.157 203 HG3 PRO 30 HG3 PRO 30 6.723 16.457 3.544 204 HD2 PRO 30 HD2 PRO 30 8.884 15.728 5.005 205 HD3 PRO 30 HD3 PRO 30 8.191 17.361 5.075 206 H HIS 31 H HIS 31 4.837 14.846 8.692 207 HA HIS 31 HA HIS 31 5.389 12.029 8.021 208 HB2 HIS 31 HB2 HIS 31 4.784 13.120 10.772 209 HB3 HIS 31 HB3 HIS 31 5.334 11.498 10.363 210 HD1 HIS 31 HD1 HIS 31 6.578 14.544 11.673 211 HD2 HIS 31 HD2 HIS 31 8.057 11.709 9.021 212 HE1 HIS 31 HE1 HIS 31 9.068 14.890 11.639 213 H CYS 32 H CYS 32 3.721 10.505 8.327 214 HA CYS 32 HA CYS 32 1.080 11.589 7.865 215 HB2 CYS 32 HB2 CYS 32 2.266 8.827 7.800 216 HB3 CYS 32 HB3 CYS 32 0.521 9.060 7.752 217 H LYS 33 H LYS 33 0.644 12.538 9.904 218 HA LYS 33 HA LYS 33 0.034 10.581 12.023 219 HB2 LYS 33 HB2 LYS 33 0.345 12.451 13.637 220 HB3 LYS 33 HB3 LYS 33 1.815 12.018 12.774 221 HG2 LYS 33 HG2 LYS 33 1.609 13.928 11.340 222 HG3 LYS 33 HG3 LYS 33 0.026 14.318 12.018 223 HD2 LYS 33 HD2 LYS 33 2.359 14.118 13.860 224 HD3 LYS 33 HD3 LYS 33 2.209 15.550 12.838 225 HE2 LYS 33 HE2 LYS 33 -0.007 15.981 13.733 226 HE3 LYS 33 HE3 LYS 33 0.076 14.510 14.702 227 HZ1 LYS 33 HZ1 LYS 33 1.268 17.102 15.175 228 HZ2 LYS 33 HZ2 LYS 33 2.297 15.793 15.472 229 HZ3 LYS 33 HZ3 LYS 33 0.813 15.901 16.276 230 H LYS 34 H LYS 34 -1.905 10.806 13.146 231 HA LYS 34 HA LYS 34 -4.140 11.599 11.717 232 HB2 LYS 34 HB2 LYS 34 -3.757 11.263 14.693 233 HB3 LYS 34 HB3 LYS 34 -5.327 11.522 13.944 234 HG2 LYS 34 HG2 LYS 34 -4.610 9.455 12.489 235 HG3 LYS 34 HG3 LYS 34 -3.557 9.135 13.869 236 HD2 LYS 34 HD2 LYS 34 -5.431 7.997 14.527 237 HD3 LYS 34 HD3 LYS 34 -5.777 9.581 15.225 238 HE2 LYS 34 HE2 LYS 34 -7.053 10.120 13.138 239 HE3 LYS 34 HE3 LYS 34 -6.837 8.441 12.643 240 HZ1 LYS 34 HZ1 LYS 34 -8.152 7.683 14.399 241 HZ2 LYS 34 HZ2 LYS 34 -8.985 9.037 13.822 242 HZ3 LYS 34 HZ3 LYS 34 -8.066 9.150 15.238 243 H TYR 35 H TYR 35 -5.607 13.347 11.959 244 HA TYR 35 HA TYR 35 -4.500 15.877 11.920 245 HB2 TYR 35 HB2 TYR 35 -7.291 14.869 12.335 246 HB3 TYR 35 HB3 TYR 35 -6.956 16.589 12.497 247 HD1 TYR 35 HD1 TYR 35 -8.300 14.404 10.319 248 HD2 TYR 35 HD2 TYR 35 -5.171 17.285 10.421 249 HE1 TYR 35 HE1 TYR 35 -8.465 14.660 7.878 250 HE2 TYR 35 HE2 TYR 35 -5.327 17.550 7.980 251 HH TYR 35 HH TYR 35 -7.599 15.609 6.064 252 H LYS 36 H LYS 36 -4.486 17.617 13.380 253 HA LYS 36 HA LYS 36 -3.654 17.067 15.969 254 HB2 LYS 36 HB2 LYS 36 -4.620 19.533 14.580 255 HB3 LYS 36 HB3 LYS 36 -4.374 19.579 16.321 256 HG2 LYS 36 HG2 LYS 36 -2.039 18.646 15.816 257 HG3 LYS 36 HG3 LYS 36 -2.360 19.134 14.151 258 HD2 LYS 36 HD2 LYS 36 -1.282 20.993 15.024 259 HD3 LYS 36 HD3 LYS 36 -2.986 21.419 15.203 260 HE2 LYS 36 HE2 LYS 36 -1.919 21.980 17.247 261 HE3 LYS 36 HE3 LYS 36 -2.855 20.516 17.546 262 HZ1 LYS 36 HZ1 LYS 36 -0.370 19.651 16.744 263 HZ2 LYS 36 HZ2 LYS 36 -0.994 19.624 18.316 264 HZ3 LYS 36 HZ3 LYS 36 -0.058 20.936 17.800 265 HA PRO 37 HA PRO 37 -7.230 16.481 18.443 266 HB2 PRO 37 HB2 PRO 37 -6.587 17.815 20.719 267 HB3 PRO 37 HB3 PRO 37 -5.828 16.288 20.253 268 HG2 PRO 37 HG2 PRO 37 -4.810 19.084 19.930 269 HG3 PRO 37 HG3 PRO 37 -3.942 17.632 20.459 270 HD2 PRO 37 HD2 PRO 37 -3.759 18.601 17.937 271 HD3 PRO 37 HD3 PRO 37 -3.652 16.868 18.304 272 H TYR 38 H TYR 38 -9.000 17.572 19.596 273 HA TYR 38 HA TYR 38 -10.135 19.642 18.165 274 HB2 TYR 38 HB2 TYR 38 -11.796 19.776 19.882 275 HB3 TYR 38 HB3 TYR 38 -11.308 18.090 19.762 276 HD1 TYR 38 HD1 TYR 38 -11.421 21.036 21.878 277 HD2 TYR 38 HD2 TYR 38 -9.873 17.089 21.515 278 HE1 TYR 38 HE1 TYR 38 -10.925 21.015 24.287 279 HE2 TYR 38 HE2 TYR 38 -9.374 17.057 23.923 280 HH TYR 38 HH TYR 38 -10.130 19.846 25.993 281 H VAL 39 H VAL 39 -10.541 21.854 18.676 282 HA VAL 39 HA VAL 39 -8.227 23.248 19.571 283 HB VAL 39 HB VAL 39 -10.991 24.332 19.008 284 HG11 VAL 39 HG11 VAL 39 -8.340 25.767 19.095 285 HG12 VAL 39 HG12 VAL 39 -9.919 26.484 18.771 286 HG13 VAL 39 HG13 VAL 39 -9.561 25.821 20.366 287 HG21 VAL 39 HG21 VAL 39 -10.134 23.211 17.060 288 HG22 VAL 39 HG22 VAL 39 -10.016 24.953 16.809 289 HG23 VAL 39 HG23 VAL 39 -8.577 24.023 17.227 290 HA PRO 40 HA PRO 40 -9.141 23.400 23.896 291 HB2 PRO 40 HB2 PRO 40 -7.348 25.327 24.563 292 HB3 PRO 40 HB3 PRO 40 -6.878 23.663 24.198 293 HG2 PRO 40 HG2 PRO 40 -6.792 26.084 22.440 294 HG3 PRO 40 HG3 PRO 40 -5.584 24.801 22.637 295 HD2 PRO 40 HD2 PRO 40 -7.301 24.876 20.545 296 HD3 PRO 40 HD3 PRO 40 -6.709 23.354 21.240 297 H VAL 41 H VAL 41 -9.953 24.881 25.500 298 HA VAL 41 HA VAL 41 -11.969 26.567 24.635 299 HB VAL 41 HB VAL 41 -10.495 26.751 27.266 300 HG11 VAL 41 HG11 VAL 41 -11.871 28.703 26.864 301 HG12 VAL 41 HG12 VAL 41 -13.250 27.678 26.463 302 HG13 VAL 41 HG13 VAL 41 -12.610 27.693 28.106 303 HG21 VAL 41 HG21 VAL 41 -11.218 24.562 27.244 304 HG22 VAL 41 HG22 VAL 41 -12.606 25.379 27.963 305 HG23 VAL 41 HG23 VAL 41 -12.634 24.927 26.258 306 H THR 42 H THR 42 -12.191 28.765 24.363 307 HA THR 42 HA THR 42 -10.116 30.203 23.237 308 HB THR 42 HB THR 42 -12.303 31.657 24.681 309 HG1 THR 42 HG1 THR 42 -13.779 31.004 23.176 310 HG21 THR 42 HG21 THR 42 -11.745 33.328 23.309 311 HG22 THR 42 HG22 THR 42 -11.856 32.282 21.893 312 HG23 THR 42 HG23 THR 42 -10.355 32.363 22.815 313 H THR 43 H THR 43 -8.523 31.491 23.970 314 HA THR 43 HA THR 43 -7.623 31.318 26.608 315 HB THR 43 HB THR 43 -6.195 31.916 24.649 316 HG1 THR 43 HG1 THR 43 -4.832 33.007 25.943 317 HG21 THR 43 HG21 THR 43 -6.708 34.781 24.891 318 HG22 THR 43 HG22 THR 43 -8.061 33.885 24.200 319 HG23 THR 43 HG23 THR 43 -6.467 33.792 23.451 320 H SER 44 H SER 44 -7.098 33.398 27.914 321 HA SER 44 HA SER 44 -9.584 34.481 28.777 322 HB2 SER 44 HB2 SER 44 -7.319 34.054 30.079 323 HB3 SER 44 HB3 SER 44 -6.988 35.718 29.597 324 HG SER 44 HG SER 44 -8.185 35.222 31.684 325 H PHE 45 H PHE 45 -9.911 36.864 29.077 326 HA PHE 45 HA PHE 45 -9.350 38.211 26.542 327 HB2 PHE 45 HB2 PHE 45 -11.357 38.739 28.734 328 HB3 PHE 45 HB3 PHE 45 -11.103 39.842 27.386 329 HD1 PHE 45 HD1 PHE 45 -12.098 36.381 28.244 330 HD2 PHE 45 HD2 PHE 45 -12.131 39.472 25.318 331 HE1 PHE 45 HE1 PHE 45 -13.677 35.072 26.884 332 HE2 PHE 45 HE2 PHE 45 -13.711 38.169 23.954 333 HZ PHE 45 HZ PHE 45 -14.485 35.965 24.736 334 H ASN 46 H ASN 46 -8.723 40.458 26.518 335 HA ASN 46 HA ASN 46 -7.735 41.715 28.894 336 HB2 ASN 46 HB2 ASN 46 -5.358 41.792 28.176 337 HB3 ASN 46 HB3 ASN 46 -5.898 40.162 28.567 338 HD21 ASN 46 HD21 ASN 46 -4.168 41.924 26.433 339 HD22 ASN 46 HD22 ASN 46 -4.255 40.889 25.052 340 H CYS 47 H CYS 47 -7.347 43.889 28.606 341 HA CYS 47 HA CYS 47 -8.565 45.151 26.413 342 HB2 CYS 47 HB2 CYS 47 -7.549 47.240 27.345 343 HB3 CYS 47 HB3 CYS 47 -8.439 46.289 28.529 344 H ALA 48 H ALA 48 -7.534 46.702 24.927 345 HA ALA 48 HA ALA 48 -5.313 45.457 23.582 346 HB1 ALA 48 HB1 ALA 48 -7.034 47.843 22.980 347 HB2 ALA 48 HB2 ALA 48 -5.625 47.435 22.000 348 HB3 ALA 48 HB3 ALA 48 -6.961 46.293 22.141 349 H LYS 49 H LYS 49 -3.294 45.778 24.234 350 HA LYS 49 HA LYS 49 -2.520 48.057 25.792 351 HB2 LYS 49 HB2 LYS 49 -0.293 47.056 25.778 352 HB3 LYS 49 HB3 LYS 49 -1.513 45.849 26.162 353 HG2 LYS 49 HG2 LYS 49 -1.405 44.967 23.918 354 HG3 LYS 49 HG3 LYS 49 -0.272 46.236 23.446 355 HD2 LYS 49 HD2 LYS 49 1.395 45.374 24.960 356 HD3 LYS 49 HD3 LYS 49 0.254 44.189 25.599 357 HE2 LYS 49 HE2 LYS 49 1.397 42.880 24.113 358 HE3 LYS 49 HE3 LYS 49 0.105 43.471 23.069 359 HZ1 LYS 49 HZ1 LYS 49 2.945 44.038 22.999 360 HZ2 LYS 49 HZ2 LYS 49 1.944 45.380 22.753 361 HZ3 LYS 49 HZ3 LYS 49 1.810 44.028 21.744 362 H GLU 50 H GLU 50 -0.489 49.297 25.166 363 HA GLU 50 HA GLU 50 -0.964 50.899 22.973 364 HB2 GLU 50 HB2 GLU 50 0.590 51.382 24.893 365 HB3 GLU 50 HB3 GLU 50 1.773 50.337 24.119 366 HG2 GLU 50 HG2 GLU 50 0.583 52.656 22.653 367 HG3 GLU 50 HG3 GLU 50 1.934 52.876 23.763 368 H GLY 51 H GLY 51 -0.629 50.755 20.842 369 HA2 GLY 51 HA2 GLY 51 0.649 50.130 18.926 370 HA3 GLY 51 HA3 GLY 51 1.289 48.769 19.836 371 H GLU 52 H GLU 52 -1.389 48.031 20.838 372 HA GLU 52 HA GLU 52 -2.080 46.185 18.830 373 HB2 GLU 52 HB2 GLU 52 -3.749 47.114 21.173 374 HB3 GLU 52 HB3 GLU 52 -4.011 45.649 20.237 375 HG2 GLU 52 HG2 GLU 52 -1.546 46.230 21.863 376 HG3 GLU 52 HG3 GLU 52 -2.906 45.247 22.403 377 H VAL 53 H VAL 53 -4.048 46.012 17.618 378 HA VAL 53 HA VAL 53 -4.910 48.589 16.574 379 HB VAL 53 HB VAL 53 -5.696 45.847 15.590 380 HG11 VAL 53 HG11 VAL 53 -5.924 48.627 14.491 381 HG12 VAL 53 HG12 VAL 53 -5.928 47.218 13.428 382 HG13 VAL 53 HG13 VAL 53 -7.174 47.395 14.663 383 HG21 VAL 53 HG21 VAL 53 -3.325 47.561 14.886 384 HG22 VAL 53 HG22 VAL 53 -3.329 45.895 15.465 385 HG23 VAL 53 HG23 VAL 53 -3.920 46.268 13.846 386 H CYS 54 H CYS 54 -7.097 49.201 16.369 387 HA CYS 54 HA CYS 54 -8.903 47.858 18.272 388 HB2 CYS 54 HB2 CYS 54 -8.964 50.776 17.484 389 HB3 CYS 54 HB3 CYS 54 -9.911 49.997 18.748 390 H GLY 55 H GLY 55 -11.026 47.501 17.681 391 HA2 GLY 55 HA2 GLY 55 -12.661 48.432 15.832 392 HA3 GLY 55 HA3 GLY 55 -11.517 47.585 14.800 393 H TRP 56 H TRP 56 -11.045 45.429 16.682 394 HA TRP 56 HA TRP 56 -13.441 43.881 16.089 395 HB2 TRP 56 HB2 TRP 56 -10.694 43.081 17.066 396 HB3 TRP 56 HB3 TRP 56 -12.017 41.942 16.830 397 HD1 TRP 56 HD1 TRP 56 -12.855 41.577 14.255 398 HE1 TRP 56 HE1 TRP 56 -11.560 41.789 12.041 399 HE3 TRP 56 HE3 TRP 56 -8.877 44.333 15.902 400 HZ2 TRP 56 HZ2 TRP 56 -9.169 42.968 11.115 401 HZ3 TRP 56 HZ3 TRP 56 -7.129 44.961 14.289 402 HH2 TRP 56 HH2 TRP 56 -7.273 44.291 11.946 403 H GLY 57 H GLY 57 -14.030 45.689 18.009 404 HA2 GLY 57 HA2 GLY 57 -15.025 45.831 20.075 405 HA3 GLY 57 HA3 GLY 57 -14.974 44.075 20.125 406 H SER 58 H SER 58 -12.132 46.106 19.809 407 HA SER 58 HA SER 58 -11.287 45.201 22.482 408 HB2 SER 58 HB2 SER 58 -10.026 44.608 20.193 409 HB3 SER 58 HB3 SER 58 -9.267 46.166 20.521 410 HG SER 58 HG SER 58 -8.863 43.771 21.718 411 H LYS 59 H LYS 59 -11.148 46.714 23.987 412 HA LYS 59 HA LYS 59 -10.905 49.522 23.151 413 HB2 LYS 59 HB2 LYS 59 -11.772 48.548 25.868 414 HB3 LYS 59 HB3 LYS 59 -12.000 50.144 25.165 415 HG2 LYS 59 HG2 LYS 59 -13.356 47.597 24.306 416 HG3 LYS 59 HG3 LYS 59 -14.088 48.942 25.183 417 HD2 LYS 59 HD2 LYS 59 -13.015 50.177 22.980 418 HD3 LYS 59 HD3 LYS 59 -13.555 48.628 22.327 419 HE2 LYS 59 HE2 LYS 59 -15.209 50.648 23.836 420 HE3 LYS 59 HE3 LYS 59 -15.339 50.230 22.128 421 HZ1 LYS 59 HZ1 LYS 59 -16.863 48.764 22.756 422 HZ2 LYS 59 HZ2 LYS 59 -16.491 48.941 24.396 423 HZ3 LYS 59 HZ3 LYS 59 -15.617 47.850 23.444 424 H CYS 60 H CYS 60 -9.170 50.692 23.702 425 HA CYS 60 HA CYS 60 -6.819 49.535 24.622 426 HB2 CYS 60 HB2 CYS 60 -7.666 52.439 24.703 427 HB3 CYS 60 HB3 CYS 60 -6.018 51.870 24.951 428 H CYS 61 H CYS 61 -5.685 49.671 26.589 429 HA CYS 61 HA CYS 61 -7.274 49.297 28.904 430 HB2 CYS 61 HB2 CYS 61 -4.304 49.845 28.845 431 HB3 CYS 61 HB3 CYS 61 -5.210 48.975 30.079 432 H HIS 62 H HIS 62 -6.814 50.508 30.983 433 HA HIS 62 HA HIS 62 -7.705 53.122 30.808 434 HB2 HIS 62 HB2 HIS 62 -6.315 51.572 32.966 435 HB3 HIS 62 HB3 HIS 62 -6.641 53.288 33.192 436 HD1 HIS 62 HD1 HIS 62 -8.029 50.269 34.158 437 HD2 HIS 62 HD2 HIS 62 -9.644 53.651 32.365 438 HE1 HIS 62 HE1 HIS 62 -10.495 50.173 34.641 439 H GLY 63 H GLY 63 -6.785 55.020 30.352 440 HA2 GLY 63 HA2 GLY 63 -5.043 56.630 30.480 441 HA3 GLY 63 HA3 GLY 63 -3.886 55.322 30.679 442 H LEU 64 H LEU 64 -5.256 53.877 28.397 443 HA LEU 64 HA LEU 64 -3.825 55.298 26.267 444 HB2 LEU 64 HB2 LEU 64 -4.772 52.440 26.418 445 HB3 LEU 64 HB3 LEU 64 -3.886 53.150 25.070 446 HG LEU 64 HG LEU 64 -2.684 53.145 27.810 447 HD11 LEU 64 HD11 LEU 64 -2.966 50.899 27.807 448 HD12 LEU 64 HD12 LEU 64 -1.547 50.970 26.763 449 HD13 LEU 64 HD13 LEU 64 -3.154 50.811 26.055 450 HD21 LEU 64 HD21 LEU 64 -1.230 54.288 26.519 451 HD22 LEU 64 HD22 LEU 64 -1.823 53.568 25.022 452 HD23 LEU 64 HD23 LEU 64 -0.705 52.671 26.050 453 H ASP 65 H ASP 65 -4.766 55.272 24.094 454 HA ASP 65 HA ASP 65 -7.633 54.882 23.898 455 HB2 ASP 65 HB2 ASP 65 -7.090 57.271 24.784 456 HB3 ASP 65 HB3 ASP 65 -6.588 57.589 23.125 457 H CYS 66 H CYS 66 -8.422 55.102 21.685 458 HA CYS 66 HA CYS 66 -6.272 54.661 19.717 459 HB2 CYS 66 HB2 CYS 66 -8.481 53.018 20.426 460 HB3 CYS 66 HB3 CYS 66 -8.769 53.615 18.795 461 HA PRO 67 HA PRO 67 -7.813 58.291 17.707 462 HB2 PRO 67 HB2 PRO 67 -6.418 58.011 15.395 463 HB3 PRO 67 HB3 PRO 67 -5.676 58.554 16.905 464 HG2 PRO 67 HG2 PRO 67 -5.667 55.831 15.662 465 HG3 PRO 67 HG3 PRO 67 -4.336 56.713 16.434 466 HD2 PRO 67 HD2 PRO 67 -5.724 54.765 17.704 467 HD3 PRO 67 HD3 PRO 67 -5.037 56.161 18.559 468 H LEU 68 H LEU 68 -8.912 58.884 15.676 469 HA LEU 68 HA LEU 68 -10.649 56.703 14.790 470 HB2 LEU 68 HB2 LEU 68 -10.879 59.672 14.885 471 HB3 LEU 68 HB3 LEU 68 -11.834 58.784 13.700 472 HG LEU 68 HG LEU 68 -12.976 57.583 15.448 473 HD11 LEU 68 HD11 LEU 68 -11.255 59.103 17.401 474 HD12 LEU 68 HD12 LEU 68 -11.074 57.396 16.998 475 HD13 LEU 68 HD13 LEU 68 -12.541 57.962 17.795 476 HD21 LEU 68 HD21 LEU 68 -12.894 60.479 16.262 477 HD22 LEU 68 HD22 LEU 68 -14.247 59.353 16.381 478 HD23 LEU 68 HD23 LEU 68 -13.698 59.909 14.799 479 H ALA 69 H ALA 69 -9.489 55.654 13.221 480 HA ALA 69 HA ALA 69 -9.361 56.949 10.653 481 HB1 ALA 69 HB1 ALA 69 -7.246 57.701 11.528 482 HB2 ALA 69 HB2 ALA 69 -6.813 56.055 11.992 483 HB3 ALA 69 HB3 ALA 69 -6.960 56.480 10.287 484 H PHE 70 H PHE 70 -7.980 55.248 9.157 485 HA PHE 70 HA PHE 70 -9.621 53.058 8.807 486 HB2 PHE 70 HB2 PHE 70 -6.697 53.205 8.046 487 HB3 PHE 70 HB3 PHE 70 -7.921 52.172 7.314 488 HD1 PHE 70 HD1 PHE 70 -6.009 54.790 6.544 489 HD2 PHE 70 HD2 PHE 70 -10.153 53.854 6.800 490 HE1 PHE 70 HE1 PHE 70 -6.505 56.554 4.902 491 HE2 PHE 70 HE2 PHE 70 -10.656 55.616 5.159 492 HZ PHE 70 HZ PHE 70 -8.831 56.969 4.206 493 H ILE 71 H ILE 71 -6.276 52.861 10.034 494 HA ILE 71 HA ILE 71 -7.144 50.658 11.783 495 HB ILE 71 HB ILE 71 -4.504 50.750 10.322 496 HG12 ILE 71 HG12 ILE 71 -5.756 48.554 9.356 497 HG13 ILE 71 HG13 ILE 71 -7.141 49.612 9.603 498 HG21 ILE 71 HG21 ILE 71 -5.474 49.238 12.560 499 HG22 ILE 71 HG22 ILE 71 -5.111 48.163 11.211 500 HG23 ILE 71 HG23 ILE 71 -3.868 49.250 11.831 501 HD11 ILE 71 HD11 ILE 71 -4.903 49.826 7.684 502 HD12 ILE 71 HD12 ILE 71 -6.617 50.195 7.482 503 HD13 ILE 71 HD13 ILE 71 -5.565 51.326 8.335 504 HA PRO 72 HA PRO 72 -5.098 53.891 14.345 505 HB2 PRO 72 HB2 PRO 72 -6.755 53.555 16.468 506 HB3 PRO 72 HB3 PRO 72 -7.147 54.604 15.101 507 HG2 PRO 72 HG2 PRO 72 -8.058 51.809 15.665 508 HG3 PRO 72 HG3 PRO 72 -8.994 53.192 15.070 509 HD2 PRO 72 HD2 PRO 72 -8.084 51.237 13.433 510 HD3 PRO 72 HD3 PRO 72 -8.253 52.923 12.904 511 H TYR 73 H TYR 73 -4.183 53.676 16.570 512 HA TYR 73 HA TYR 73 -3.780 50.925 17.461 513 HB2 TYR 73 HB2 TYR 73 -1.443 52.770 16.949 514 HB3 TYR 73 HB3 TYR 73 -1.379 51.088 17.464 515 HD1 TYR 73 HD1 TYR 73 -2.407 49.349 15.824 516 HD2 TYR 73 HD2 TYR 73 -1.266 53.288 14.691 517 HE1 TYR 73 HE1 TYR 73 -2.280 48.631 13.475 518 HE2 TYR 73 HE2 TYR 73 -1.138 52.581 12.339 519 HH TYR 73 HH TYR 73 -1.380 49.238 11.410 520 H CYS 74 H CYS 74 -3.735 50.756 19.617 521 HA CYS 74 HA CYS 74 -4.452 52.811 21.309 522 HB2 CYS 74 HB2 CYS 74 -3.036 50.204 21.832 523 HB3 CYS 74 HB3 CYS 74 -3.458 51.304 23.141 524 H GLU 75 H GLU 75 -3.415 54.338 22.484 525 HA GLU 75 HA GLU 75 -0.551 54.294 22.827 526 HB2 GLU 75 HB2 GLU 75 -0.088 56.368 21.675 527 HB3 GLU 75 HB3 GLU 75 -0.809 55.228 20.548 528 HG2 GLU 75 HG2 GLU 75 -2.999 56.355 20.919 529 HG3 GLU 75 HG3 GLU 75 -2.151 57.569 21.875 530 H LYS 76 H LYS 76 0.156 55.643 24.464 531 HA LYS 76 HA LYS 76 -1.573 56.254 26.525 532 HB2 LYS 76 HB2 LYS 76 1.121 57.434 25.844 533 HB3 LYS 76 HB3 LYS 76 0.277 57.771 27.349 534 HG2 LYS 76 HG2 LYS 76 0.995 54.995 26.443 535 HG3 LYS 76 HG3 LYS 76 2.031 55.988 27.471 536 HD2 LYS 76 HD2 LYS 76 -0.830 55.409 28.184 537 HD3 LYS 76 HD3 LYS 76 0.481 54.313 28.625 538 HE2 LYS 76 HE2 LYS 76 1.609 56.312 29.693 539 HE3 LYS 76 HE3 LYS 76 0.089 57.175 29.469 540 HZ1 LYS 76 HZ1 LYS 76 -1.020 55.708 30.909 541 HZ2 LYS 76 HZ2 LYS 76 0.430 56.085 31.693 542 HZ3 LYS 76 HZ3 LYS 76 0.254 54.595 30.913 543 H TYR 77 H TYR 77 -3.148 57.693 26.689 544 HA TYR 77 HA TYR 77 -3.787 59.634 24.831 545 HB2 TYR 77 HB2 TYR 77 -5.255 58.715 26.683 546 HB3 TYR 77 HB3 TYR 77 -4.453 59.844 27.769 547 HD1 TYR 77 HD1 TYR 77 -5.600 61.790 28.198 548 HD2 TYR 77 HD2 TYR 77 -6.067 59.948 24.391 549 HE1 TYR 77 HE1 TYR 77 -7.190 63.550 27.548 550 HE2 TYR 77 HE2 TYR 77 -7.657 61.704 23.730 551 HH TYR 77 HH TYR 77 -9.226 63.610 25.726 552 H ARG 78 H ARG 78 -3.030 61.589 24.353 553 HA ARG 78 HA ARG 78 -0.795 62.661 25.803 554 HB2 ARG 78 HB2 ARG 78 -2.253 63.338 23.296 555 HB3 ARG 78 HB3 ARG 78 -1.320 64.615 24.066 556 HG2 ARG 78 HG2 ARG 78 0.688 63.570 23.679 557 HG3 ARG 78 HG3 ARG 78 -0.042 61.966 23.592 558 HD2 ARG 78 HD2 ARG 78 -0.334 62.124 21.387 559 HD3 ARG 78 HD3 ARG 78 -1.053 63.728 21.527 560 HE ARG 78 HE ARG 78 1.611 63.121 20.751 561 HH11 ARG 78 HH11 ARG 78 -0.311 65.453 22.478 562 HH12 ARG 78 HH12 ARG 78 0.785 66.764 22.190 563 HH21 ARG 78 HH21 ARG 78 3.062 64.839 20.364 564 HH22 ARG 78 HH22 ARG 78 2.702 66.413 20.987 Start of MODEL 10 1 H1 GLY 1 H GLY 1 2.820 17.059 -9.210 2 HA2 GLY 1 HA2 GLY 1 4.004 19.089 -7.423 3 HA3 GLY 1 HA3 GLY 1 2.278 18.831 -7.622 4 H ASP 2 H ASP 2 4.666 18.447 -5.493 5 HA ASP 2 HA ASP 2 3.737 15.853 -4.480 6 HB2 ASP 2 HB2 ASP 2 6.229 17.464 -4.084 7 HB3 ASP 2 HB3 ASP 2 5.740 16.317 -2.840 8 H CYS 3 H CYS 3 3.500 15.678 -2.085 9 HA CYS 3 HA CYS 3 3.024 17.977 -0.499 10 HB2 CYS 3 HB2 CYS 3 0.636 17.967 -0.344 11 HB3 CYS 3 HB3 CYS 3 1.045 18.054 -2.054 12 H ALA 4 H ALA 4 2.293 17.445 1.653 13 HA ALA 4 HA ALA 4 3.049 14.727 2.389 14 HB1 ALA 4 HB1 ALA 4 3.495 17.224 3.539 15 HB2 ALA 4 HB2 ALA 4 2.352 16.422 4.617 16 HB3 ALA 4 HB3 ALA 4 3.888 15.649 4.229 17 H LYS 5 H LYS 5 1.730 13.282 3.422 18 HA LYS 5 HA LYS 5 -1.046 13.441 2.938 19 HB2 LYS 5 HB2 LYS 5 0.686 11.570 4.529 20 HB3 LYS 5 HB3 LYS 5 -1.066 11.413 4.555 21 HG2 LYS 5 HG2 LYS 5 -1.145 10.974 2.222 22 HG3 LYS 5 HG3 LYS 5 0.555 11.406 2.023 23 HD2 LYS 5 HD2 LYS 5 0.526 9.058 2.012 24 HD3 LYS 5 HD3 LYS 5 1.052 9.493 3.640 25 HE2 LYS 5 HE2 LYS 5 -1.199 9.139 4.483 26 HE3 LYS 5 HE3 LYS 5 -1.773 8.780 2.855 27 HZ1 LYS 5 HZ1 LYS 5 -0.017 6.940 2.909 28 HZ2 LYS 5 HZ2 LYS 5 -1.437 6.705 3.798 29 HZ3 LYS 5 HZ3 LYS 5 -0.012 7.164 4.586 30 H GLU 6 H GLU 6 -2.642 12.942 4.808 31 HA GLU 6 HA GLU 6 -2.679 15.219 6.504 32 HB2 GLU 6 HB2 GLU 6 -4.768 14.341 5.745 33 HB3 GLU 6 HB3 GLU 6 -4.400 12.744 6.382 34 HG2 GLU 6 HG2 GLU 6 -4.511 13.626 8.657 35 HG3 GLU 6 HG3 GLU 6 -4.887 15.224 8.017 36 H GLY 7 H GLY 7 -1.787 15.497 8.438 37 HA2 GLY 7 HA2 GLY 7 -1.287 14.890 10.664 38 HA3 GLY 7 HA3 GLY 7 -1.417 13.198 10.208 39 H GLU 8 H GLU 8 0.313 13.619 7.835 40 HA GLU 8 HA GLU 8 2.776 12.939 9.013 41 HB2 GLU 8 HB2 GLU 8 1.926 13.664 6.229 42 HB3 GLU 8 HB3 GLU 8 3.631 13.453 6.604 43 HG2 GLU 8 HG2 GLU 8 1.521 11.373 7.119 44 HG3 GLU 8 HG3 GLU 8 2.524 11.436 5.671 45 H VAL 9 H VAL 9 4.721 14.065 9.182 46 HA VAL 9 HA VAL 9 4.528 16.771 9.945 47 HB VAL 9 HB VAL 9 7.002 15.175 9.264 48 HG11 VAL 9 HG11 VAL 9 7.781 17.000 11.105 49 HG12 VAL 9 HG12 VAL 9 7.959 17.211 9.362 50 HG13 VAL 9 HG13 VAL 9 6.585 17.930 10.202 51 HG21 VAL 9 HG21 VAL 9 5.846 14.073 11.022 52 HG22 VAL 9 HG22 VAL 9 7.160 14.981 11.769 53 HG23 VAL 9 HG23 VAL 9 5.509 15.597 11.845 54 H CYS 10 H CYS 10 5.200 18.658 8.961 55 HA CYS 10 HA CYS 10 5.653 18.472 6.055 56 HB2 CYS 10 HB2 CYS 10 4.523 20.568 5.791 57 HB3 CYS 10 HB3 CYS 10 3.501 19.543 6.792 58 H SER 11 H SER 11 7.273 19.667 5.120 59 HA SER 11 HA SER 11 9.024 21.173 6.949 60 HB2 SER 11 HB2 SER 11 10.978 20.282 5.831 61 HB3 SER 11 HB3 SER 11 9.973 18.936 6.368 62 HG SER 11 HG SER 11 10.870 19.159 4.024 63 H TRP 12 H TRP 12 10.852 22.139 5.194 64 HA TRP 12 HA TRP 12 9.531 24.326 4.038 65 HB2 TRP 12 HB2 TRP 12 11.716 24.855 3.010 66 HB3 TRP 12 HB3 TRP 12 11.868 24.446 4.717 67 HD1 TRP 12 HD1 TRP 12 13.199 22.235 5.339 68 HE1 TRP 12 HE1 TRP 12 14.767 20.709 3.985 69 HE3 TRP 12 HE3 TRP 12 12.086 23.897 0.634 70 HZ2 TRP 12 HZ2 TRP 12 15.444 20.268 1.280 71 HZ3 TRP 12 HZ3 TRP 12 13.238 22.870 -1.283 72 HH2 TRP 12 HH2 TRP 12 14.883 21.094 -0.964 73 H GLY 13 H GLY 13 10.595 21.257 2.685 74 HA2 GLY 13 HA2 GLY 13 9.718 22.086 0.015 75 HA3 GLY 13 HA3 GLY 13 10.620 20.627 0.400 76 H LYS 14 H LYS 14 8.722 20.100 2.676 77 HA LYS 14 HA LYS 14 6.628 18.859 1.036 78 HB2 LYS 14 HB2 LYS 14 8.236 17.624 2.744 79 HB3 LYS 14 HB3 LYS 14 7.032 18.157 3.909 80 HG2 LYS 14 HG2 LYS 14 6.143 16.143 3.388 81 HG3 LYS 14 HG3 LYS 14 5.386 17.102 2.113 82 HD2 LYS 14 HD2 LYS 14 6.218 15.312 0.918 83 HD3 LYS 14 HD3 LYS 14 7.532 16.480 0.764 84 HE2 LYS 14 HE2 LYS 14 7.647 14.692 3.110 85 HE3 LYS 14 HE3 LYS 14 7.880 13.924 1.540 86 HZ1 LYS 14 HZ1 LYS 14 9.463 16.058 1.310 87 HZ2 LYS 14 HZ2 LYS 14 9.996 14.551 1.862 88 HZ3 LYS 14 HZ3 LYS 14 9.599 15.765 2.971 89 H LYS 15 H LYS 15 4.860 20.085 0.907 90 HA LYS 15 HA LYS 15 3.952 21.511 3.315 91 HB2 LYS 15 HB2 LYS 15 3.545 22.007 0.378 92 HB3 LYS 15 HB3 LYS 15 2.461 22.711 1.571 93 HG2 LYS 15 HG2 LYS 15 4.733 23.505 2.653 94 HG3 LYS 15 HG3 LYS 15 5.307 23.323 0.994 95 HD2 LYS 15 HD2 LYS 15 4.596 25.506 0.961 96 HD3 LYS 15 HD3 LYS 15 3.130 24.679 0.429 97 HE2 LYS 15 HE2 LYS 15 2.403 26.197 2.062 98 HE3 LYS 15 HE3 LYS 15 2.461 24.641 2.888 99 HZ1 LYS 15 HZ1 LYS 15 3.989 27.031 3.369 100 HZ2 LYS 15 HZ2 LYS 15 4.937 25.632 3.306 101 HZ3 LYS 15 HZ3 LYS 15 3.655 25.735 4.404 102 H CYS 16 H CYS 16 1.921 21.199 4.127 103 HA CYS 16 HA CYS 16 0.688 18.742 3.875 104 HB2 CYS 16 HB2 CYS 16 -0.560 21.371 4.703 105 HB3 CYS 16 HB3 CYS 16 -1.263 19.783 4.994 106 H CYS 17 H CYS 17 -0.514 17.825 2.354 107 HA CYS 17 HA CYS 17 -1.093 18.944 -0.103 108 HB2 CYS 17 HB2 CYS 17 -1.390 16.459 1.036 109 HB3 CYS 17 HB3 CYS 17 -3.060 16.943 0.754 110 H ASP 18 H ASP 18 -3.069 18.860 2.815 111 HA ASP 18 HA ASP 18 -5.116 20.470 1.449 112 HB2 ASP 18 HB2 ASP 18 -5.522 18.243 2.883 113 HB3 ASP 18 HB3 ASP 18 -5.590 19.422 4.190 114 H LEU 19 H LEU 19 -4.279 22.516 1.573 115 HA LEU 19 HA LEU 19 -3.222 23.551 4.051 116 HB2 LEU 19 HB2 LEU 19 -3.828 24.912 1.431 117 HB3 LEU 19 HB3 LEU 19 -2.998 25.661 2.794 118 HG LEU 19 HG LEU 19 -1.995 23.393 1.077 119 HD11 LEU 19 HD11 LEU 19 -0.870 26.153 1.509 120 HD12 LEU 19 HD12 LEU 19 -1.889 25.702 0.142 121 HD13 LEU 19 HD13 LEU 19 -0.317 24.933 0.361 122 HD21 LEU 19 HD21 LEU 19 0.024 23.460 2.433 123 HD22 LEU 19 HD22 LEU 19 -1.376 23.047 3.422 124 HD23 LEU 19 HD23 LEU 19 -0.704 24.677 3.482 125 H ASP 20 H ASP 20 -6.183 23.829 2.171 126 HA ASP 20 HA ASP 20 -7.364 25.955 3.570 127 HB2 ASP 20 HB2 ASP 20 -8.714 23.619 2.200 128 HB3 ASP 20 HB3 ASP 20 -9.495 25.129 2.659 129 H ASN 21 H ASN 21 -7.260 22.500 4.217 130 HA ASN 21 HA ASN 21 -8.936 22.853 6.589 131 HB2 ASN 21 HB2 ASN 21 -7.841 20.328 5.329 132 HB3 ASN 21 HB3 ASN 21 -8.944 20.392 6.700 133 HD21 ASN 21 HD21 ASN 21 -10.825 22.103 6.080 134 HD22 ASN 21 HD22 ASN 21 -11.647 21.670 4.623 135 H PHE 22 H PHE 22 -5.864 21.231 5.770 136 HA PHE 22 HA PHE 22 -5.021 21.485 8.556 137 HB2 PHE 22 HB2 PHE 22 -3.526 20.103 6.329 138 HB3 PHE 22 HB3 PHE 22 -3.330 19.878 8.064 139 HD1 PHE 22 HD1 PHE 22 -4.159 18.042 5.498 140 HD2 PHE 22 HD2 PHE 22 -6.093 19.576 8.966 141 HE1 PHE 22 HE1 PHE 22 -5.757 16.172 5.430 142 HE2 PHE 22 HE2 PHE 22 -7.693 17.708 8.904 143 HZ PHE 22 HZ PHE 22 -7.526 16.003 7.135 144 H TYR 23 H TYR 23 -2.635 22.011 8.873 145 HA TYR 23 HA TYR 23 -1.357 23.706 6.962 146 HB2 TYR 23 HB2 TYR 23 -1.543 25.811 8.068 147 HB3 TYR 23 HB3 TYR 23 -3.179 25.184 7.900 148 HD1 TYR 23 HD1 TYR 23 -1.074 26.832 10.073 149 HD2 TYR 23 HD2 TYR 23 -3.855 23.612 10.025 150 HE1 TYR 23 HE1 TYR 23 -1.418 27.100 12.494 151 HE2 TYR 23 HE2 TYR 23 -4.208 23.872 12.445 152 HH TYR 23 HH TYR 23 -3.604 24.951 14.288 153 H CYS 24 H CYS 24 0.513 24.956 8.167 154 HA CYS 24 HA CYS 24 1.755 23.004 9.985 155 HB2 CYS 24 HB2 CYS 24 3.031 25.023 8.128 156 HB3 CYS 24 HB3 CYS 24 3.917 23.968 9.225 157 HA PRO 25 HA PRO 25 0.995 26.576 12.744 158 HB2 PRO 25 HB2 PRO 25 0.781 25.059 14.985 159 HB3 PRO 25 HB3 PRO 25 -0.569 25.332 13.877 160 HG2 PRO 25 HG2 PRO 25 1.264 22.975 14.084 161 HG3 PRO 25 HG3 PRO 25 -0.495 23.008 13.861 162 HD2 PRO 25 HD2 PRO 25 1.226 22.592 11.812 163 HD3 PRO 25 HD3 PRO 25 -0.326 23.427 11.600 164 H MET 26 H MET 26 2.180 27.276 14.701 165 HA MET 26 HA MET 26 4.999 26.656 14.424 166 HB2 MET 26 HB2 MET 26 3.761 28.595 16.372 167 HB3 MET 26 HB3 MET 26 5.408 28.584 15.756 168 HG2 MET 26 HG2 MET 26 2.944 29.149 14.124 169 HG3 MET 26 HG3 MET 26 4.044 30.363 14.772 170 HE1 MET 26 HE1 MET 26 6.527 29.952 14.594 171 HE2 MET 26 HE2 MET 26 7.137 28.532 13.745 172 HE3 MET 26 HE3 MET 26 7.196 30.116 12.970 173 H GLU 27 H GLU 27 5.644 24.841 15.412 174 HA GLU 27 HA GLU 27 5.537 24.679 18.268 175 HB2 GLU 27 HB2 GLU 27 4.360 22.539 18.421 176 HB3 GLU 27 HB3 GLU 27 3.318 23.787 17.751 177 HG2 GLU 27 HG2 GLU 27 4.139 22.836 15.463 178 HG3 GLU 27 HG3 GLU 27 4.521 21.408 16.423 179 H PHE 28 H PHE 28 6.555 22.544 19.019 180 HA PHE 28 HA PHE 28 9.107 22.310 17.996 181 HB2 PHE 28 HB2 PHE 28 7.435 20.406 19.625 182 HB3 PHE 28 HB3 PHE 28 9.099 20.034 19.188 183 HD1 PHE 28 HD1 PHE 28 6.980 21.648 21.523 184 HD2 PHE 28 HD2 PHE 28 10.887 21.767 19.839 185 HE1 PHE 28 HE1 PHE 28 7.772 22.941 23.461 186 HE2 PHE 28 HE2 PHE 28 11.686 23.059 21.774 187 HZ PHE 28 HZ PHE 28 10.128 23.648 23.589 188 H ILE 29 H ILE 29 6.315 20.201 17.366 189 HA ILE 29 HA ILE 29 7.709 19.239 14.954 190 HB ILE 29 HB ILE 29 5.784 17.634 16.639 191 HG12 ILE 29 HG12 ILE 29 8.410 16.504 16.494 192 HG13 ILE 29 HG13 ILE 29 8.545 18.170 17.045 193 HG21 ILE 29 HG21 ILE 29 5.745 17.066 14.263 194 HG22 ILE 29 HG22 ILE 29 7.492 16.839 14.286 195 HG23 ILE 29 HG23 ILE 29 6.452 15.765 15.220 196 HD11 ILE 29 HD11 ILE 29 7.217 15.845 18.338 197 HD12 ILE 29 HD12 ILE 29 8.298 17.057 19.026 198 HD13 ILE 29 HD13 ILE 29 6.622 17.472 18.667 199 HA PRO 30 HA PRO 30 4.013 21.236 13.276 200 HB2 PRO 30 HB2 PRO 30 4.994 21.401 10.750 201 HB3 PRO 30 HB3 PRO 30 5.414 22.555 12.021 202 HG2 PRO 30 HG2 PRO 30 6.957 20.192 11.022 203 HG3 PRO 30 HG3 PRO 30 7.538 21.819 11.423 204 HD2 PRO 30 HD2 PRO 30 7.816 19.717 13.107 205 HD3 PRO 30 HD3 PRO 30 7.588 21.380 13.685 206 H HIS 31 H HIS 31 2.298 20.004 12.859 207 HA HIS 31 HA HIS 31 2.654 17.606 11.185 208 HB2 HIS 31 HB2 HIS 31 0.558 18.177 13.291 209 HB3 HIS 31 HB3 HIS 31 0.624 16.725 12.297 210 HD1 HIS 31 HD1 HIS 31 1.186 17.444 15.570 211 HD2 HIS 31 HD2 HIS 31 3.671 15.804 12.672 212 HE1 HIS 31 HE1 HIS 31 2.957 16.185 16.836 213 H CYS 32 H CYS 32 0.369 16.973 10.210 214 HA CYS 32 HA CYS 32 -0.633 19.381 8.841 215 HB2 CYS 32 HB2 CYS 32 -0.238 16.554 7.883 216 HB3 CYS 32 HB3 CYS 32 -1.321 17.663 7.046 217 H LYS 33 H LYS 33 -1.900 19.187 11.065 218 HA LYS 33 HA LYS 33 -4.359 17.647 10.552 219 HB2 LYS 33 HB2 LYS 33 -4.752 17.856 13.020 220 HB3 LYS 33 HB3 LYS 33 -3.349 16.889 12.584 221 HG2 LYS 33 HG2 LYS 33 -1.852 18.487 13.327 222 HG3 LYS 33 HG3 LYS 33 -3.034 19.793 13.215 223 HD2 LYS 33 HD2 LYS 33 -2.996 19.482 15.483 224 HD3 LYS 33 HD3 LYS 33 -4.284 18.358 15.042 225 HE2 LYS 33 HE2 LYS 33 -2.781 16.498 15.140 226 HE3 LYS 33 HE3 LYS 33 -1.392 17.565 15.337 227 HZ1 LYS 33 HZ1 LYS 33 -1.743 17.715 17.516 228 HZ2 LYS 33 HZ2 LYS 33 -2.784 16.393 17.349 229 HZ3 LYS 33 HZ3 LYS 33 -3.407 17.966 17.338 230 H LYS 34 H LYS 34 -6.326 18.694 11.649 231 HA LYS 34 HA LYS 34 -6.585 21.352 10.572 232 HB2 LYS 34 HB2 LYS 34 -8.383 19.631 10.410 233 HB3 LYS 34 HB3 LYS 34 -8.593 19.737 12.153 234 HG2 LYS 34 HG2 LYS 34 -9.608 21.777 12.050 235 HG3 LYS 34 HG3 LYS 34 -8.776 22.239 10.563 236 HD2 LYS 34 HD2 LYS 34 -10.612 19.940 10.349 237 HD3 LYS 34 HD3 LYS 34 -11.370 21.502 10.671 238 HE2 LYS 34 HE2 LYS 34 -9.300 21.333 8.538 239 HE3 LYS 34 HE3 LYS 34 -10.903 20.677 8.208 240 HZ1 LYS 34 HZ1 LYS 34 -11.609 22.721 7.817 241 HZ2 LYS 34 HZ2 LYS 34 -10.079 23.354 8.163 242 HZ3 LYS 34 HZ3 LYS 34 -11.223 23.183 9.398 243 H TYR 35 H TYR 35 -7.379 23.181 11.782 244 HA TYR 35 HA TYR 35 -5.877 23.836 14.002 245 HB2 TYR 35 HB2 TYR 35 -8.390 24.939 12.817 246 HB3 TYR 35 HB3 TYR 35 -7.856 25.542 14.382 247 HD1 TYR 35 HD1 TYR 35 -6.897 25.195 10.827 248 HD2 TYR 35 HD2 TYR 35 -6.040 27.059 14.554 249 HE1 TYR 35 HE1 TYR 35 -5.339 26.726 9.696 250 HE2 TYR 35 HE2 TYR 35 -4.481 28.596 13.434 251 HH TYR 35 HH TYR 35 -4.384 29.020 10.117 252 H LYS 36 H LYS 36 -6.506 24.229 16.222 253 HA LYS 36 HA LYS 36 -7.910 21.987 17.336 254 HB2 LYS 36 HB2 LYS 36 -6.382 24.310 18.436 255 HB3 LYS 36 HB3 LYS 36 -7.442 23.407 19.509 256 HG2 LYS 36 HG2 LYS 36 -6.226 21.385 19.115 257 HG3 LYS 36 HG3 LYS 36 -5.258 22.158 17.857 258 HD2 LYS 36 HD2 LYS 36 -3.923 22.062 19.831 259 HD3 LYS 36 HD3 LYS 36 -4.416 23.743 19.609 260 HE2 LYS 36 HE2 LYS 36 -6.161 23.479 21.269 261 HE3 LYS 36 HE3 LYS 36 -5.773 21.768 21.442 262 HZ1 LYS 36 HZ1 LYS 36 -4.710 22.799 23.220 263 HZ2 LYS 36 HZ2 LYS 36 -4.179 24.107 22.289 264 HZ3 LYS 36 HZ3 LYS 36 -3.468 22.585 22.091 265 HA PRO 37 HA PRO 37 -11.901 23.687 17.993 266 HB2 PRO 37 HB2 PRO 37 -12.542 22.733 20.452 267 HB3 PRO 37 HB3 PRO 37 -12.471 21.709 19.013 268 HG2 PRO 37 HG2 PRO 37 -10.432 22.085 21.173 269 HG3 PRO 37 HG3 PRO 37 -10.963 20.588 20.383 270 HD2 PRO 37 HD2 PRO 37 -8.664 21.854 19.714 271 HD3 PRO 37 HD3 PRO 37 -9.632 20.944 18.535 272 H TYR 38 H TYR 38 -13.213 25.093 19.391 273 HA TYR 38 HA TYR 38 -11.890 27.408 20.155 274 HB2 TYR 38 HB2 TYR 38 -13.990 28.124 21.138 275 HB3 TYR 38 HB3 TYR 38 -14.311 27.268 19.634 276 HD1 TYR 38 HD1 TYR 38 -14.527 27.082 23.302 277 HD2 TYR 38 HD2 TYR 38 -15.507 25.185 19.622 278 HE1 TYR 38 HE1 TYR 38 -16.070 25.582 24.493 279 HE2 TYR 38 HE2 TYR 38 -17.053 23.680 20.802 280 HH TYR 38 HH TYR 38 -18.124 24.221 23.917 281 H VAL 39 H VAL 39 -11.105 28.217 22.044 282 HA VAL 39 HA VAL 39 -10.717 26.286 24.211 283 HB VAL 39 HB VAL 39 -9.371 28.952 23.754 284 HG11 VAL 39 HG11 VAL 39 -9.477 28.252 26.120 285 HG12 VAL 39 HG12 VAL 39 -8.666 26.746 25.685 286 HG13 VAL 39 HG13 VAL 39 -7.830 28.287 25.491 287 HG21 VAL 39 HG21 VAL 39 -8.511 27.666 22.054 288 HG22 VAL 39 HG22 VAL 39 -7.391 27.279 23.360 289 HG23 VAL 39 HG23 VAL 39 -8.693 26.160 22.953 290 HA PRO 40 HA PRO 40 -13.736 28.334 26.712 291 HB2 PRO 40 HB2 PRO 40 -13.065 27.185 29.078 292 HB3 PRO 40 HB3 PRO 40 -13.949 26.327 27.810 293 HG2 PRO 40 HG2 PRO 40 -11.032 26.236 28.481 294 HG3 PRO 40 HG3 PRO 40 -12.128 24.904 28.070 295 HD2 PRO 40 HD2 PRO 40 -10.409 25.981 26.277 296 HD3 PRO 40 HD3 PRO 40 -11.988 25.318 25.807 297 H VAL 41 H VAL 41 -13.872 29.879 28.409 298 HA VAL 41 HA VAL 41 -11.800 31.759 28.490 299 HB VAL 41 HB VAL 41 -14.028 31.447 30.507 300 HG11 VAL 41 HG11 VAL 41 -13.733 33.822 30.899 301 HG12 VAL 41 HG12 VAL 41 -12.215 32.968 31.186 302 HG13 VAL 41 HG13 VAL 41 -12.445 33.884 29.696 303 HG21 VAL 41 HG21 VAL 41 -14.088 32.136 27.707 304 HG22 VAL 41 HG22 VAL 41 -15.425 31.888 28.831 305 HG23 VAL 41 HG23 VAL 41 -14.665 33.474 28.700 306 H THR 42 H THR 42 -10.135 32.131 29.856 307 HA THR 42 HA THR 42 -9.699 30.150 31.993 308 HB THR 42 HB THR 42 -7.231 31.026 31.694 309 HG1 THR 42 HG1 THR 42 -6.796 31.844 29.719 310 HG21 THR 42 HG21 THR 42 -8.120 29.262 29.464 311 HG22 THR 42 HG22 THR 42 -8.411 28.731 31.121 312 HG23 THR 42 HG23 THR 42 -6.768 29.075 30.581 313 H THR 43 H THR 43 -9.067 30.823 34.015 314 HA THR 43 HA THR 43 -9.958 33.303 34.934 315 HB THR 43 HB THR 43 -8.623 32.784 37.010 316 HG1 THR 43 HG1 THR 43 -7.468 30.892 37.075 317 HG21 THR 43 HG21 THR 43 -10.902 31.517 35.949 318 HG22 THR 43 HG22 THR 43 -10.439 31.661 37.645 319 HG23 THR 43 HG23 THR 43 -9.938 30.252 36.710 320 H SER 44 H SER 44 -6.798 32.273 33.811 321 HA SER 44 HA SER 44 -5.448 34.650 34.690 322 HB2 SER 44 HB2 SER 44 -4.197 32.573 34.469 323 HB3 SER 44 HB3 SER 44 -4.602 32.480 32.755 324 HG SER 44 HG SER 44 -3.297 34.197 32.347 325 H PHE 45 H PHE 45 -4.442 36.202 33.260 326 HA PHE 45 HA PHE 45 -6.265 37.076 31.207 327 HB2 PHE 45 HB2 PHE 45 -3.650 38.250 32.174 328 HB3 PHE 45 HB3 PHE 45 -4.741 39.028 31.032 329 HD1 PHE 45 HD1 PHE 45 -4.136 38.184 34.514 330 HD2 PHE 45 HD2 PHE 45 -6.906 39.886 31.768 331 HE1 PHE 45 HE1 PHE 45 -5.373 39.189 36.390 332 HE2 PHE 45 HE2 PHE 45 -8.146 40.895 33.638 333 HZ PHE 45 HZ PHE 45 -7.380 40.547 35.953 334 H ASN 46 H ASN 46 -6.086 36.777 29.081 335 HA ASN 46 HA ASN 46 -3.484 36.135 27.917 336 HB2 ASN 46 HB2 ASN 46 -4.370 33.946 28.325 337 HB3 ASN 46 HB3 ASN 46 -5.946 34.401 27.684 338 HD21 ASN 46 HD21 ASN 46 -2.607 34.740 26.530 339 HD22 ASN 46 HD22 ASN 46 -2.886 34.006 24.991 340 H CYS 47 H CYS 47 -3.185 37.519 26.312 341 HA CYS 47 HA CYS 47 -5.511 38.309 24.683 342 HB2 CYS 47 HB2 CYS 47 -4.259 40.464 24.289 343 HB3 CYS 47 HB3 CYS 47 -4.844 40.232 25.933 344 H ALA 48 H ALA 48 -4.991 38.930 22.453 345 HA ALA 48 HA ALA 48 -3.241 37.001 21.250 346 HB1 ALA 48 HB1 ALA 48 -3.981 38.203 19.114 347 HB2 ALA 48 HB2 ALA 48 -5.217 37.368 20.057 348 HB3 ALA 48 HB3 ALA 48 -5.062 39.121 20.162 349 H LYS 49 H LYS 49 -1.117 37.297 21.165 350 HA LYS 49 HA LYS 49 0.085 39.895 21.327 351 HB2 LYS 49 HB2 LYS 49 1.348 37.211 20.735 352 HB3 LYS 49 HB3 LYS 49 2.214 38.684 21.151 353 HG2 LYS 49 HG2 LYS 49 0.942 38.674 23.329 354 HG3 LYS 49 HG3 LYS 49 0.401 37.049 22.901 355 HD2 LYS 49 HD2 LYS 49 2.299 36.748 24.269 356 HD3 LYS 49 HD3 LYS 49 2.854 36.462 22.618 357 HE2 LYS 49 HE2 LYS 49 3.782 38.696 22.511 358 HE3 LYS 49 HE3 LYS 49 3.142 39.068 24.111 359 HZ1 LYS 49 HZ1 LYS 49 5.593 37.886 23.459 360 HZ2 LYS 49 HZ2 LYS 49 4.680 36.739 24.302 361 HZ3 LYS 49 HZ3 LYS 49 4.984 38.252 24.994 362 H GLU 50 H GLU 50 1.837 40.519 19.735 363 HA GLU 50 HA GLU 50 0.765 41.087 17.258 364 HB2 GLU 50 HB2 GLU 50 2.728 42.229 18.232 365 HB3 GLU 50 HB3 GLU 50 3.700 40.796 17.926 366 HG2 GLU 50 HG2 GLU 50 3.466 41.062 15.562 367 HG3 GLU 50 HG3 GLU 50 2.305 42.370 15.777 368 H GLY 51 H GLY 51 0.468 39.994 15.422 369 HA2 GLY 51 HA2 GLY 51 1.219 38.490 13.712 370 HA3 GLY 51 HA3 GLY 51 2.061 37.566 14.947 371 H GLU 52 H GLU 52 -0.265 37.656 16.765 372 HA GLU 52 HA GLU 52 -1.489 35.245 15.973 373 HB2 GLU 52 HB2 GLU 52 -2.444 37.250 18.024 374 HB3 GLU 52 HB3 GLU 52 -2.968 35.577 17.896 375 HG2 GLU 52 HG2 GLU 52 -0.146 36.450 18.465 376 HG3 GLU 52 HG3 GLU 52 -1.317 35.957 19.686 377 H VAL 53 H VAL 53 -3.734 34.850 15.502 378 HA VAL 53 HA VAL 53 -4.818 36.862 13.694 379 HB VAL 53 HB VAL 53 -5.850 34.069 14.192 380 HG11 VAL 53 HG11 VAL 53 -7.520 35.355 13.131 381 HG12 VAL 53 HG12 VAL 53 -6.352 36.127 12.057 382 HG13 VAL 53 HG13 VAL 53 -6.749 34.421 11.849 383 HG21 VAL 53 HG21 VAL 53 -3.467 34.962 12.823 384 HG22 VAL 53 HG22 VAL 53 -4.004 33.324 13.193 385 HG23 VAL 53 HG23 VAL 53 -4.566 34.125 11.726 386 H CYS 54 H CYS 54 -6.951 37.633 13.803 387 HA CYS 54 HA CYS 54 -8.195 37.388 16.464 388 HB2 CYS 54 HB2 CYS 54 -8.434 39.745 14.588 389 HB3 CYS 54 HB3 CYS 54 -8.978 39.652 16.260 390 H GLY 55 H GLY 55 -10.395 37.078 16.606 391 HA2 GLY 55 HA2 GLY 55 -12.436 37.428 14.930 392 HA3 GLY 55 HA3 GLY 55 -11.649 36.042 14.190 393 H TRP 56 H TRP 56 -10.799 34.881 16.710 394 HA TRP 56 HA TRP 56 -13.332 33.633 17.421 395 HB2 TRP 56 HB2 TRP 56 -10.475 32.925 18.119 396 HB3 TRP 56 HB3 TRP 56 -11.883 32.004 18.642 397 HD1 TRP 56 HD1 TRP 56 -10.444 33.218 15.234 398 HE1 TRP 56 HE1 TRP 56 -10.760 31.316 13.529 399 HE3 TRP 56 HE3 TRP 56 -12.824 29.829 18.231 400 HZ2 TRP 56 HZ2 TRP 56 -11.871 28.722 13.464 401 HZ3 TRP 56 HZ3 TRP 56 -13.480 27.661 17.270 402 HH2 TRP 56 HH2 TRP 56 -13.013 27.121 14.936 403 H GLY 57 H GLY 57 -13.289 36.193 18.343 404 HA2 GLY 57 HA2 GLY 57 -13.695 37.402 20.252 405 HA3 GLY 57 HA3 GLY 57 -13.787 35.864 21.097 406 H SER 58 H SER 58 -10.952 36.973 19.354 407 HA SER 58 HA SER 58 -9.557 37.233 21.938 408 HB2 SER 58 HB2 SER 58 -9.010 35.376 20.027 409 HB3 SER 58 HB3 SER 58 -7.926 36.678 19.538 410 HG SER 58 HG SER 58 -7.478 36.624 22.001 411 H LYS 59 H LYS 59 -8.968 39.237 22.389 412 HA LYS 59 HA LYS 59 -8.653 41.168 20.210 413 HB2 LYS 59 HB2 LYS 59 -8.876 41.604 23.194 414 HB3 LYS 59 HB3 LYS 59 -8.777 42.877 21.985 415 HG2 LYS 59 HG2 LYS 59 -11.009 42.858 22.109 416 HG3 LYS 59 HG3 LYS 59 -10.885 41.445 21.059 417 HD2 LYS 59 HD2 LYS 59 -10.563 40.794 23.880 418 HD3 LYS 59 HD3 LYS 59 -12.125 41.535 23.520 419 HE2 LYS 59 HE2 LYS 59 -11.956 39.790 21.481 420 HE3 LYS 59 HE3 LYS 59 -11.021 38.922 22.697 421 HZ1 LYS 59 HZ1 LYS 59 -13.784 39.083 22.478 422 HZ2 LYS 59 HZ2 LYS 59 -13.368 39.948 23.870 423 HZ3 LYS 59 HZ3 LYS 59 -12.888 38.335 23.702 424 H CYS 60 H CYS 60 -6.860 42.656 20.222 425 HA CYS 60 HA CYS 60 -4.375 41.338 20.792 426 HB2 CYS 60 HB2 CYS 60 -4.938 44.118 19.738 427 HB3 CYS 60 HB3 CYS 60 -3.350 43.360 19.796 428 H CYS 61 H CYS 61 -2.713 42.075 22.159 429 HA CYS 61 HA CYS 61 -3.556 42.981 24.691 430 HB2 CYS 61 HB2 CYS 61 -0.727 43.008 23.627 431 HB3 CYS 61 HB3 CYS 61 -1.231 42.928 25.312 432 H HIS 62 H HIS 62 -2.459 44.877 25.817 433 HA HIS 62 HA HIS 62 -3.344 47.270 24.741 434 HB2 HIS 62 HB2 HIS 62 -2.616 46.679 27.162 435 HB3 HIS 62 HB3 HIS 62 -1.014 47.188 26.637 436 HD1 HIS 62 HD1 HIS 62 -0.592 49.680 26.408 437 HD2 HIS 62 HD2 HIS 62 -4.555 48.764 27.251 438 HE1 HIS 62 HE1 HIS 62 -1.688 51.877 26.954 439 H GLY 63 H GLY 63 -2.585 48.649 23.265 440 HA2 GLY 63 HA2 GLY 63 -0.882 49.897 22.186 441 HA3 GLY 63 HA3 GLY 63 0.281 48.664 22.651 442 H LEU 64 H LEU 64 -1.701 46.571 21.712 443 HA LEU 64 HA LEU 64 -0.942 46.720 18.883 444 HB2 LEU 64 HB2 LEU 64 -1.803 44.375 20.569 445 HB3 LEU 64 HB3 LEU 64 -1.382 44.291 18.859 446 HG LEU 64 HG LEU 64 0.591 45.276 20.893 447 HD11 LEU 64 HD11 LEU 64 -0.001 42.419 20.144 448 HD12 LEU 64 HD12 LEU 64 -0.076 43.146 21.749 449 HD13 LEU 64 HD13 LEU 64 1.480 42.951 20.942 450 HD21 LEU 64 HD21 LEU 64 0.598 44.456 18.053 451 HD22 LEU 64 HD22 LEU 64 1.992 43.973 19.020 452 HD23 LEU 64 HD23 LEU 64 1.558 45.678 18.887 453 H ASP 65 H ASP 65 -2.474 45.871 17.284 454 HA ASP 65 HA ASP 65 -5.272 45.798 18.014 455 HB2 ASP 65 HB2 ASP 65 -4.519 48.263 17.631 456 HB3 ASP 65 HB3 ASP 65 -4.510 47.818 15.927 457 H CYS 66 H CYS 66 -6.658 45.227 16.172 458 HA CYS 66 HA CYS 66 -5.148 43.747 14.120 459 HB2 CYS 66 HB2 CYS 66 -7.135 42.858 15.965 460 HB3 CYS 66 HB3 CYS 66 -7.805 42.744 14.340 461 HA PRO 67 HA PRO 67 -7.115 46.414 11.189 462 HB2 PRO 67 HB2 PRO 67 -6.455 45.016 8.958 463 HB3 PRO 67 HB3 PRO 67 -5.295 46.010 9.846 464 HG2 PRO 67 HG2 PRO 67 -5.717 43.048 9.943 465 HG3 PRO 67 HG3 PRO 67 -4.197 43.960 9.899 466 HD2 PRO 67 HD2 PRO 67 -5.209 42.926 12.188 467 HD3 PRO 67 HD3 PRO 67 -4.268 44.431 12.154 468 H LEU 68 H LEU 68 -8.731 46.278 9.437 469 HA LEU 68 HA LEU 68 -10.714 44.218 10.054 470 HB2 LEU 68 HB2 LEU 68 -10.896 46.865 8.634 471 HB3 LEU 68 HB3 LEU 68 -12.232 45.718 8.710 472 HG LEU 68 HG LEU 68 -10.950 47.140 11.042 473 HD11 LEU 68 HD11 LEU 68 -13.821 47.395 10.395 474 HD12 LEU 68 HD12 LEU 68 -12.690 48.204 9.312 475 HD13 LEU 68 HD13 LEU 68 -12.688 48.586 11.034 476 HD21 LEU 68 HD21 LEU 68 -11.729 45.495 12.314 477 HD22 LEU 68 HD22 LEU 68 -12.462 44.697 10.922 478 HD23 LEU 68 HD23 LEU 68 -13.359 45.935 11.804 479 H ALA 69 H ALA 69 -10.086 42.450 8.878 480 HA ALA 69 HA ALA 69 -10.672 42.517 6.064 481 HB1 ALA 69 HB1 ALA 69 -8.382 43.264 5.954 482 HB2 ALA 69 HB2 ALA 69 -7.858 41.916 6.965 483 HB3 ALA 69 HB3 ALA 69 -8.487 41.611 5.346 484 H PHE 70 H PHE 70 -9.801 40.170 5.180 485 HA PHE 70 HA PHE 70 -11.505 38.288 6.266 486 HB2 PHE 70 HB2 PHE 70 -9.136 38.149 4.462 487 HB3 PHE 70 HB3 PHE 70 -9.753 36.640 5.127 488 HD1 PHE 70 HD1 PHE 70 -10.650 39.595 3.100 489 HD2 PHE 70 HD2 PHE 70 -11.712 35.647 4.285 490 HE1 PHE 70 HE1 PHE 70 -12.384 39.542 1.356 491 HE2 PHE 70 HE2 PHE 70 -13.447 35.587 2.541 492 HZ PHE 70 HZ PHE 70 -13.786 37.537 1.075 493 H ILE 71 H ILE 71 -7.951 38.119 6.530 494 HA ILE 71 HA ILE 71 -8.300 36.997 9.232 495 HB ILE 71 HB ILE 71 -6.158 36.139 7.288 496 HG12 ILE 71 HG12 ILE 71 -8.357 35.410 6.486 497 HG13 ILE 71 HG13 ILE 71 -7.419 34.039 7.067 498 HG21 ILE 71 HG21 ILE 71 -5.216 35.117 9.017 499 HG22 ILE 71 HG22 ILE 71 -6.396 35.888 10.076 500 HG23 ILE 71 HG23 ILE 71 -6.727 34.293 9.401 501 HD11 ILE 71 HD11 ILE 71 -10.013 34.763 7.791 502 HD12 ILE 71 HD12 ILE 71 -9.008 33.501 8.505 503 HD13 ILE 71 HD13 ILE 71 -9.006 35.125 9.193 504 HA PRO 72 HA PRO 72 -5.588 40.707 9.526 505 HB2 PRO 72 HB2 PRO 72 -6.574 41.496 11.929 506 HB3 PRO 72 HB3 PRO 72 -7.333 41.927 10.392 507 HG2 PRO 72 HG2 PRO 72 -8.063 39.758 12.322 508 HG3 PRO 72 HG3 PRO 72 -9.121 40.879 11.446 509 HD2 PRO 72 HD2 PRO 72 -8.727 38.322 10.646 510 HD3 PRO 72 HD3 PRO 72 -9.029 39.645 9.501 511 H TYR 73 H TYR 73 -4.079 41.316 11.309 512 HA TYR 73 HA TYR 73 -3.456 39.155 13.172 513 HB2 TYR 73 HB2 TYR 73 -1.357 40.296 11.322 514 HB3 TYR 73 HB3 TYR 73 -1.148 39.000 12.494 515 HD1 TYR 73 HD1 TYR 73 -2.638 36.886 12.124 516 HD2 TYR 73 HD2 TYR 73 -1.798 39.766 9.107 517 HE1 TYR 73 HE1 TYR 73 -3.192 35.227 10.395 518 HE2 TYR 73 HE2 TYR 73 -2.350 38.116 7.370 519 HH TYR 73 HH TYR 73 -2.356 35.522 7.231 520 H CYS 74 H CYS 74 -2.800 39.892 15.097 521 HA CYS 74 HA CYS 74 -2.988 42.537 15.848 522 HB2 CYS 74 HB2 CYS 74 -1.505 40.218 17.069 523 HB3 CYS 74 HB3 CYS 74 -1.511 41.807 17.828 524 H GLU 75 H GLU 75 -1.654 44.267 15.921 525 HA GLU 75 HA GLU 75 1.190 44.002 15.517 526 HB2 GLU 75 HB2 GLU 75 1.310 45.340 13.496 527 HB3 GLU 75 HB3 GLU 75 0.330 43.910 13.206 528 HG2 GLU 75 HG2 GLU 75 -1.676 45.421 13.712 529 HG3 GLU 75 HG3 GLU 75 -0.547 46.757 13.495 530 H LYS 76 H LYS 76 2.344 45.867 16.060 531 HA LYS 76 HA LYS 76 1.323 47.476 18.052 532 HB2 LYS 76 HB2 LYS 76 3.599 48.024 16.142 533 HB3 LYS 76 HB3 LYS 76 3.270 48.987 17.577 534 HG2 LYS 76 HG2 LYS 76 3.740 46.027 17.718 535 HG3 LYS 76 HG3 LYS 76 5.060 47.197 17.761 536 HD2 LYS 76 HD2 LYS 76 2.727 47.434 19.630 537 HD3 LYS 76 HD3 LYS 76 4.077 46.356 19.995 538 HE2 LYS 76 HE2 LYS 76 5.492 48.511 19.429 539 HE3 LYS 76 HE3 LYS 76 3.992 49.329 19.861 540 HZ1 LYS 76 HZ1 LYS 76 4.980 49.208 21.888 541 HZ2 LYS 76 HZ2 LYS 76 5.813 47.777 21.543 542 HZ3 LYS 76 HZ3 LYS 76 4.164 47.726 21.916 543 H TYR 77 H TYR 77 -0.189 48.991 18.031 544 HA TYR 77 HA TYR 77 -1.452 50.003 15.789 545 HB2 TYR 77 HB2 TYR 77 -2.402 50.121 18.051 546 HB3 TYR 77 HB3 TYR 77 -1.192 51.317 18.502 547 HD1 TYR 77 HD1 TYR 77 -2.179 53.381 18.787 548 HD2 TYR 77 HD2 TYR 77 -3.441 50.943 15.536 549 HE1 TYR 77 HE1 TYR 77 -3.669 55.182 18.022 550 HE2 TYR 77 HE2 TYR 77 -4.934 52.738 14.762 551 HH TYR 77 HH TYR 77 -4.714 55.738 15.449 552 H ARG 78 H ARG 78 -0.835 51.364 14.257 553 HA ARG 78 HA ARG 78 1.628 52.597 14.092 554 HB2 ARG 78 HB2 ARG 78 0.712 53.908 12.255 555 HB3 ARG 78 HB3 ARG 78 0.132 52.249 12.170 556 HG2 ARG 78 HG2 ARG 78 -1.582 54.163 13.622 557 HG3 ARG 78 HG3 ARG 78 -1.452 54.381 11.876 558 HD2 ARG 78 HD2 ARG 78 -1.860 51.771 11.880 559 HD3 ARG 78 HD3 ARG 78 -2.607 52.127 13.436 560 HE ARG 78 HE ARG 78 -4.358 53.095 12.330 561 HH11 ARG 78 HH11 ARG 78 -1.668 52.780 10.142 562 HH12 ARG 78 HH12 ARG 78 -2.574 53.271 8.750 563 HH21 ARG 78 HH21 ARG 78 -5.562 53.744 10.504 564 HH22 ARG 78 HH22 ARG 78 -4.789 53.820 8.957 Start of MODEL 11 1 H1 GLY 1 H GLY 1 3.683 4.318 -5.314 2 HA2 GLY 1 HA2 GLY 1 4.434 4.664 -2.793 3 HA3 GLY 1 HA3 GLY 1 6.000 4.720 -3.588 4 H ASP 2 H ASP 2 2.785 6.217 -3.602 5 HA ASP 2 HA ASP 2 4.087 8.769 -4.274 6 HB2 ASP 2 HB2 ASP 2 1.796 9.254 -5.453 7 HB3 ASP 2 HB3 ASP 2 3.047 8.349 -6.300 8 H CYS 3 H CYS 3 4.040 9.048 -1.937 9 HA CYS 3 HA CYS 3 1.826 10.603 -1.103 10 HB2 CYS 3 HB2 CYS 3 0.903 9.250 0.638 11 HB3 CYS 3 HB3 CYS 3 0.900 8.275 -0.828 12 H ALA 4 H ALA 4 2.144 11.557 1.005 13 HA ALA 4 HA ALA 4 4.973 11.764 1.657 14 HB1 ALA 4 HB1 ALA 4 3.762 13.830 1.371 15 HB2 ALA 4 HB2 ALA 4 2.594 13.355 2.605 16 HB3 ALA 4 HB3 ALA 4 4.269 13.676 3.054 17 H LYS 5 H LYS 5 5.895 10.805 3.346 18 HA LYS 5 HA LYS 5 4.502 8.994 4.995 19 HB2 LYS 5 HB2 LYS 5 7.243 10.219 5.354 20 HB3 LYS 5 HB3 LYS 5 6.629 8.843 6.261 21 HG2 LYS 5 HG2 LYS 5 6.631 8.691 3.293 22 HG3 LYS 5 HG3 LYS 5 8.164 8.526 4.152 23 HD2 LYS 5 HD2 LYS 5 5.731 6.918 4.885 24 HD3 LYS 5 HD3 LYS 5 6.878 6.383 3.654 25 HE2 LYS 5 HE2 LYS 5 8.684 6.470 5.298 26 HE3 LYS 5 HE3 LYS 5 7.547 7.024 6.526 27 HZ1 LYS 5 HZ1 LYS 5 7.070 4.490 5.103 28 HZ2 LYS 5 HZ2 LYS 5 6.528 4.973 6.630 29 HZ3 LYS 5 HZ3 LYS 5 8.148 4.539 6.406 30 H GLU 6 H GLU 6 4.885 9.134 7.499 31 HA GLU 6 HA GLU 6 3.249 11.215 8.462 32 HB2 GLU 6 HB2 GLU 6 3.326 9.084 9.600 33 HB3 GLU 6 HB3 GLU 6 5.042 9.277 9.929 34 HG2 GLU 6 HG2 GLU 6 4.674 10.918 11.540 35 HG3 GLU 6 HG3 GLU 6 3.036 11.237 10.972 36 H GLY 7 H GLY 7 3.704 13.226 9.082 37 HA2 GLY 7 HA2 GLY 7 4.965 14.894 10.177 38 HA3 GLY 7 HA3 GLY 7 6.392 13.879 10.031 39 H GLU 8 H GLU 8 5.843 13.378 7.160 40 HA GLU 8 HA GLU 8 7.422 15.435 6.081 41 HB2 GLU 8 HB2 GLU 8 5.751 13.258 4.857 42 HB3 GLU 8 HB3 GLU 8 6.565 14.445 3.847 43 HG2 GLU 8 HG2 GLU 8 7.975 12.730 5.874 44 HG3 GLU 8 HG3 GLU 8 7.800 12.303 4.173 45 H VAL 9 H VAL 9 6.829 16.905 4.317 46 HA VAL 9 HA VAL 9 4.415 18.353 4.987 47 HB VAL 9 HB VAL 9 6.545 18.966 2.933 48 HG11 VAL 9 HG11 VAL 9 3.993 20.250 3.620 49 HG12 VAL 9 HG12 VAL 9 5.380 21.338 3.527 50 HG13 VAL 9 HG13 VAL 9 4.947 20.337 2.140 51 HG21 VAL 9 HG21 VAL 9 6.325 20.675 5.290 52 HG22 VAL 9 HG22 VAL 9 6.784 19.014 5.664 53 HG23 VAL 9 HG23 VAL 9 7.751 19.963 4.535 54 H CYS 10 H CYS 10 2.682 18.753 3.637 55 HA CYS 10 HA CYS 10 2.475 16.968 1.303 56 HB2 CYS 10 HB2 CYS 10 0.113 16.851 1.679 57 HB3 CYS 10 HB3 CYS 10 0.904 16.551 3.223 58 H SER 11 H SER 11 1.741 17.751 -0.639 59 HA SER 11 HA SER 11 1.106 20.611 -0.808 60 HB2 SER 11 HB2 SER 11 2.627 20.979 -2.617 61 HB3 SER 11 HB3 SER 11 3.546 20.181 -1.341 62 HG SER 11 HG SER 11 3.331 19.408 -3.816 63 H TRP 12 H TRP 12 0.805 20.883 -3.491 64 HA TRP 12 HA TRP 12 -1.719 19.738 -3.959 65 HB2 TRP 12 HB2 TRP 12 -0.592 21.862 -4.983 66 HB3 TRP 12 HB3 TRP 12 0.005 20.739 -6.202 67 HD1 TRP 12 HD1 TRP 12 -3.126 22.551 -5.089 68 HE1 TRP 12 HE1 TRP 12 -5.000 22.136 -6.803 69 HE3 TRP 12 HE3 TRP 12 -0.872 18.918 -7.892 70 HZ2 TRP 12 HZ2 TRP 12 -5.463 20.486 -9.046 71 HZ3 TRP 12 HZ3 TRP 12 -2.099 17.973 -9.804 72 HH2 TRP 12 HH2 TRP 12 -4.346 18.741 -10.367 73 H GLY 13 H GLY 13 1.519 18.789 -4.954 74 HA2 GLY 13 HA2 GLY 13 0.431 16.581 -6.543 75 HA3 GLY 13 HA3 GLY 13 2.111 17.095 -6.501 76 H LYS 14 H LYS 14 1.967 17.193 -3.495 77 HA LYS 14 HA LYS 14 2.385 14.316 -3.080 78 HB2 LYS 14 HB2 LYS 14 4.168 16.201 -2.623 79 HB3 LYS 14 HB3 LYS 14 3.277 16.392 -1.119 80 HG2 LYS 14 HG2 LYS 14 4.820 14.883 -0.432 81 HG3 LYS 14 HG3 LYS 14 3.594 13.763 -1.031 82 HD2 LYS 14 HD2 LYS 14 5.530 12.949 -2.009 83 HD3 LYS 14 HD3 LYS 14 4.867 13.974 -3.284 84 HE2 LYS 14 HE2 LYS 14 7.082 14.620 -3.255 85 HE3 LYS 14 HE3 LYS 14 6.341 15.820 -2.197 86 HZ1 LYS 14 HZ1 LYS 14 7.914 13.435 -1.409 87 HZ2 LYS 14 HZ2 LYS 14 6.991 14.328 -0.308 88 HZ3 LYS 14 HZ3 LYS 14 8.281 15.061 -1.120 89 H LYS 15 H LYS 15 0.631 13.355 -2.280 90 HA LYS 15 HA LYS 15 -0.958 14.773 -0.250 91 HB2 LYS 15 HB2 LYS 15 -1.625 12.609 -2.223 92 HB3 LYS 15 HB3 LYS 15 -2.619 12.852 -0.794 93 HG2 LYS 15 HG2 LYS 15 -1.997 15.087 -2.695 94 HG3 LYS 15 HG3 LYS 15 -3.358 13.991 -2.941 95 HD2 LYS 15 HD2 LYS 15 -3.027 15.308 -0.286 96 HD3 LYS 15 HD3 LYS 15 -3.661 16.254 -1.635 97 HE2 LYS 15 HE2 LYS 15 -4.818 13.564 -1.057 98 HE3 LYS 15 HE3 LYS 15 -5.276 14.935 -0.047 99 HZ1 LYS 15 HZ1 LYS 15 -6.858 14.977 -1.698 100 HZ2 LYS 15 HZ2 LYS 15 -5.783 14.496 -2.913 101 HZ3 LYS 15 HZ3 LYS 15 -5.721 16.074 -2.304 102 H CYS 16 H CYS 16 -1.129 13.999 1.775 103 HA CYS 16 HA CYS 16 0.707 12.241 2.848 104 HB2 CYS 16 HB2 CYS 16 -1.101 13.894 3.923 105 HB3 CYS 16 HB3 CYS 16 -1.960 12.376 4.159 106 H CYS 17 H CYS 17 0.533 10.101 3.676 107 HA CYS 17 HA CYS 17 -0.914 8.338 1.907 108 HB2 CYS 17 HB2 CYS 17 1.446 8.172 3.444 109 HB3 CYS 17 HB3 CYS 17 0.346 6.964 4.101 110 H ASP 18 H ASP 18 -1.066 9.334 5.273 111 HA ASP 18 HA ASP 18 -3.452 7.648 5.636 112 HB2 ASP 18 HB2 ASP 18 -1.344 7.541 7.203 113 HB3 ASP 18 HB3 ASP 18 -2.054 8.985 7.921 114 H LEU 19 H LEU 19 -4.225 9.627 4.213 115 HA LEU 19 HA LEU 19 -4.645 12.146 5.264 116 HB2 LEU 19 HB2 LEU 19 -6.567 10.590 3.541 117 HB3 LEU 19 HB3 LEU 19 -6.514 12.341 3.728 118 HG LEU 19 HG LEU 19 -4.335 10.670 2.477 119 HD11 LEU 19 HD11 LEU 19 -6.111 12.560 0.993 120 HD12 LEU 19 HD12 LEU 19 -6.629 10.901 1.288 121 HD13 LEU 19 HD13 LEU 19 -5.146 11.214 0.386 122 HD21 LEU 19 HD21 LEU 19 -3.223 12.648 1.990 123 HD22 LEU 19 HD22 LEU 19 -3.810 12.921 3.631 124 HD23 LEU 19 HD23 LEU 19 -4.657 13.639 2.259 125 H ASP 20 H ASP 20 -6.401 9.168 5.865 126 HA ASP 20 HA ASP 20 -8.659 10.209 7.137 127 HB2 ASP 20 HB2 ASP 20 -7.216 7.611 7.708 128 HB3 ASP 20 HB3 ASP 20 -8.862 7.997 8.204 129 H ASN 21 H ASN 21 -5.412 9.623 8.329 130 HA ASN 21 HA ASN 21 -6.191 10.371 11.041 131 HB2 ASN 21 HB2 ASN 21 -3.752 9.147 9.810 132 HB3 ASN 21 HB3 ASN 21 -3.610 9.966 11.363 133 HD21 ASN 21 HD21 ASN 21 -5.178 7.350 9.644 134 HD22 ASN 21 HD22 ASN 21 -5.566 6.412 11.041 135 H PHE 22 H PHE 22 -3.599 11.309 8.772 136 HA PHE 22 HA PHE 22 -3.456 13.923 10.067 137 HB2 PHE 22 HB2 PHE 22 -1.687 12.872 7.858 138 HB3 PHE 22 HB3 PHE 22 -1.364 14.220 8.943 139 HD1 PHE 22 HD1 PHE 22 -0.038 11.308 8.253 140 HD2 PHE 22 HD2 PHE 22 -2.024 13.118 11.554 141 HE1 PHE 22 HE1 PHE 22 1.132 9.783 9.789 142 HE2 PHE 22 HE2 PHE 22 -0.857 11.596 13.095 143 HZ PHE 22 HZ PHE 22 0.724 9.927 12.214 144 H TYR 23 H TYR 23 -3.523 15.881 8.857 145 HA TYR 23 HA TYR 23 -4.758 15.694 6.201 146 HB2 TYR 23 HB2 TYR 23 -6.465 17.283 6.752 147 HB3 TYR 23 HB3 TYR 23 -6.517 16.012 7.968 148 HD1 TYR 23 HD1 TYR 23 -6.692 19.440 7.518 149 HD2 TYR 23 HD2 TYR 23 -4.894 16.547 10.067 150 HE1 TYR 23 HE1 TYR 23 -6.489 21.135 9.288 151 HE2 TYR 23 HE2 TYR 23 -4.686 18.234 11.845 152 HH TYR 23 HH TYR 23 -4.985 20.358 12.412 153 H CYS 24 H CYS 24 -4.979 18.077 5.317 154 HA CYS 24 HA CYS 24 -2.353 19.341 5.724 155 HB2 CYS 24 HB2 CYS 24 -4.190 19.319 3.324 156 HB3 CYS 24 HB3 CYS 24 -2.747 20.321 3.439 157 HA PRO 25 HA PRO 25 -5.219 22.418 7.531 158 HB2 PRO 25 HB2 PRO 25 -3.383 23.409 9.269 159 HB3 PRO 25 HB3 PRO 25 -4.347 21.967 9.609 160 HG2 PRO 25 HG2 PRO 25 -1.531 22.170 8.616 161 HG3 PRO 25 HG3 PRO 25 -2.208 21.088 9.847 162 HD2 PRO 25 HD2 PRO 25 -1.727 20.284 7.306 163 HD3 PRO 25 HD3 PRO 25 -3.062 19.632 8.278 164 H MET 26 H MET 26 -5.124 24.752 7.555 165 HA MET 26 HA MET 26 -3.582 25.789 5.341 166 HB2 MET 26 HB2 MET 26 -6.050 26.318 5.939 167 HB3 MET 26 HB3 MET 26 -5.365 27.439 7.108 168 HG2 MET 26 HG2 MET 26 -4.574 28.854 5.502 169 HG3 MET 26 HG3 MET 26 -4.413 27.576 4.300 170 HE1 MET 26 HE1 MET 26 -8.002 26.661 3.629 171 HE2 MET 26 HE2 MET 26 -6.960 27.253 2.336 172 HE3 MET 26 HE3 MET 26 -6.293 26.226 3.605 173 H GLU 27 H GLU 27 -1.497 26.197 5.783 174 HA GLU 27 HA GLU 27 -0.845 28.315 7.595 175 HB2 GLU 27 HB2 GLU 27 0.717 27.037 8.998 176 HB3 GLU 27 HB3 GLU 27 -0.940 26.488 9.204 177 HG2 GLU 27 HG2 GLU 27 -0.304 24.722 7.414 178 HG3 GLU 27 HG3 GLU 27 1.351 25.122 7.870 179 H PHE 28 H PHE 28 1.612 28.637 7.652 180 HA PHE 28 HA PHE 28 2.570 29.034 5.095 181 HB2 PHE 28 HB2 PHE 28 4.186 28.634 7.622 182 HB3 PHE 28 HB3 PHE 28 4.787 29.359 6.135 183 HD1 PHE 28 HD1 PHE 28 3.178 29.945 9.248 184 HD2 PHE 28 HD2 PHE 28 3.610 31.472 5.299 185 HE1 PHE 28 HE1 PHE 28 2.411 32.152 10.021 186 HE2 PHE 28 HE2 PHE 28 2.845 33.681 6.065 187 HZ PHE 28 HZ PHE 28 2.245 34.024 8.429 188 H ILE 29 H ILE 29 3.557 26.448 7.345 189 HA ILE 29 HA ILE 29 4.318 24.838 4.996 190 HB ILE 29 HB ILE 29 5.663 24.701 7.693 191 HG12 ILE 29 HG12 ILE 29 7.549 25.642 5.940 192 HG13 ILE 29 HG13 ILE 29 6.101 26.481 5.395 193 HG21 ILE 29 HG21 ILE 29 7.259 23.284 6.636 194 HG22 ILE 29 HG22 ILE 29 5.658 22.662 6.238 195 HG23 ILE 29 HG23 ILE 29 6.564 23.590 5.044 196 HD11 ILE 29 HD11 ILE 29 5.866 26.945 7.996 197 HD12 ILE 29 HD12 ILE 29 7.617 26.750 7.916 198 HD13 ILE 29 HD13 ILE 29 6.820 27.975 6.929 199 HA PRO 30 HA PRO 30 1.089 22.344 6.951 200 HB2 PRO 30 HB2 PRO 30 0.656 20.806 4.756 201 HB3 PRO 30 HB3 PRO 30 -0.042 22.418 4.953 202 HG2 PRO 30 HG2 PRO 30 2.377 21.578 3.402 203 HG3 PRO 30 HG3 PRO 30 1.091 22.709 2.943 204 HD2 PRO 30 HD2 PRO 30 3.501 23.537 3.859 205 HD3 PRO 30 HD3 PRO 30 2.002 24.438 4.166 206 H HIS 31 H HIS 31 1.072 20.261 7.768 207 HA HIS 31 HA HIS 31 3.223 18.438 7.000 208 HB2 HIS 31 HB2 HIS 31 2.719 19.251 9.870 209 HB3 HIS 31 HB3 HIS 31 3.895 18.062 9.318 210 HD1 HIS 31 HD1 HIS 31 3.784 21.394 10.436 211 HD2 HIS 31 HD2 HIS 31 5.765 19.473 7.330 212 HE1 HIS 31 HE1 HIS 31 5.704 22.901 9.829 213 H CYS 32 H CYS 32 2.943 16.271 8.091 214 HA CYS 32 HA CYS 32 0.097 15.589 8.048 215 HB2 CYS 32 HB2 CYS 32 2.623 14.006 7.655 216 HB3 CYS 32 HB3 CYS 32 1.096 13.198 7.995 217 H LYS 33 H LYS 33 0.059 16.665 10.256 218 HA LYS 33 HA LYS 33 0.830 14.731 12.341 219 HB2 LYS 33 HB2 LYS 33 1.015 16.522 13.892 220 HB3 LYS 33 HB3 LYS 33 1.864 17.035 12.440 221 HG2 LYS 33 HG2 LYS 33 -0.460 18.111 11.853 222 HG3 LYS 33 HG3 LYS 33 -0.684 18.031 13.602 223 HD2 LYS 33 HD2 LYS 33 1.294 19.342 13.973 224 HD3 LYS 33 HD3 LYS 33 1.707 19.287 12.258 225 HE2 LYS 33 HE2 LYS 33 0.754 21.400 12.552 226 HE3 LYS 33 HE3 LYS 33 -0.551 20.430 11.871 227 HZ1 LYS 33 HZ1 LYS 33 -0.213 20.894 14.780 228 HZ2 LYS 33 HZ2 LYS 33 -1.549 20.218 13.995 229 HZ3 LYS 33 HZ3 LYS 33 -1.191 21.859 13.793 230 H LYS 34 H LYS 34 -0.672 14.077 13.843 231 HA LYS 34 HA LYS 34 -3.362 13.975 13.063 232 HB2 LYS 34 HB2 LYS 34 -2.451 12.273 14.501 233 HB3 LYS 34 HB3 LYS 34 -2.058 13.460 15.739 234 HG2 LYS 34 HG2 LYS 34 -4.165 13.525 16.539 235 HG3 LYS 34 HG3 LYS 34 -4.894 13.307 14.947 236 HD2 LYS 34 HD2 LYS 34 -5.325 11.374 16.363 237 HD3 LYS 34 HD3 LYS 34 -4.289 10.930 15.004 238 HE2 LYS 34 HE2 LYS 34 -2.601 10.350 16.350 239 HE3 LYS 34 HE3 LYS 34 -2.784 11.796 17.341 240 HZ1 LYS 34 HZ1 LYS 34 -3.296 9.347 18.222 241 HZ2 LYS 34 HZ2 LYS 34 -4.835 9.763 17.659 242 HZ3 LYS 34 HZ3 LYS 34 -4.072 10.724 18.824 243 H TYR 35 H TYR 35 -5.221 14.965 13.895 244 HA TYR 35 HA TYR 35 -5.148 17.697 14.273 245 HB2 TYR 35 HB2 TYR 35 -7.190 15.592 14.854 246 HB3 TYR 35 HB3 TYR 35 -7.473 17.231 15.432 247 HD1 TYR 35 HD1 TYR 35 -7.214 15.083 12.483 248 HD2 TYR 35 HD2 TYR 35 -7.864 19.053 13.866 249 HE1 TYR 35 HE1 TYR 35 -8.063 15.712 10.261 250 HE2 TYR 35 HE2 TYR 35 -8.716 19.693 11.649 251 HH TYR 35 HH TYR 35 -8.642 17.441 8.933 252 H LYS 36 H LYS 36 -5.656 19.008 16.140 253 HA LYS 36 HA LYS 36 -4.105 18.235 18.432 254 HB2 LYS 36 HB2 LYS 36 -5.653 20.702 17.681 255 HB3 LYS 36 HB3 LYS 36 -4.971 20.511 19.291 256 HG2 LYS 36 HG2 LYS 36 -3.147 20.044 17.013 257 HG3 LYS 36 HG3 LYS 36 -3.676 21.705 17.289 258 HD2 LYS 36 HD2 LYS 36 -2.608 20.011 19.525 259 HD3 LYS 36 HD3 LYS 36 -1.528 20.905 18.454 260 HE2 LYS 36 HE2 LYS 36 -1.806 22.542 19.978 261 HE3 LYS 36 HE3 LYS 36 -3.293 22.843 19.079 262 HZ1 LYS 36 HZ1 LYS 36 -3.274 20.943 21.332 263 HZ2 LYS 36 HZ2 LYS 36 -4.571 21.814 20.684 264 HZ3 LYS 36 HZ3 LYS 36 -3.405 22.604 21.621 265 HA PRO 37 HA PRO 37 -7.243 16.717 21.099 266 HB2 PRO 37 HB2 PRO 37 -6.451 17.694 23.505 267 HB3 PRO 37 HB3 PRO 37 -5.600 16.388 22.671 268 HG2 PRO 37 HG2 PRO 37 -4.944 19.307 22.787 269 HG3 PRO 37 HG3 PRO 37 -3.860 17.910 22.924 270 HD2 PRO 37 HD2 PRO 37 -4.121 19.332 20.634 271 HD3 PRO 37 HD3 PRO 37 -3.779 17.590 20.643 272 H TYR 38 H TYR 38 -8.952 17.339 22.630 273 HA TYR 38 HA TYR 38 -10.104 19.887 21.875 274 HB2 TYR 38 HB2 TYR 38 -11.641 18.083 21.852 275 HB3 TYR 38 HB3 TYR 38 -11.126 17.521 23.439 276 HD1 TYR 38 HD1 TYR 38 -13.201 19.916 21.623 277 HD2 TYR 38 HD2 TYR 38 -11.893 18.646 25.467 278 HE1 TYR 38 HE1 TYR 38 -15.015 21.212 22.662 279 HE2 TYR 38 HE2 TYR 38 -13.703 19.938 26.517 280 HH TYR 38 HH TYR 38 -16.226 20.796 25.419 281 H VAL 39 H VAL 39 -10.181 21.670 23.091 282 HA VAL 39 HA VAL 39 -9.032 21.537 25.789 283 HB VAL 39 HB VAL 39 -9.460 23.945 24.015 284 HG11 VAL 39 HG11 VAL 39 -8.140 25.165 25.628 285 HG12 VAL 39 HG12 VAL 39 -9.527 24.432 26.437 286 HG13 VAL 39 HG13 VAL 39 -7.926 23.709 26.600 287 HG21 VAL 39 HG21 VAL 39 -7.768 22.537 23.063 288 HG22 VAL 39 HG22 VAL 39 -6.975 23.910 23.834 289 HG23 VAL 39 HG23 VAL 39 -6.986 22.336 24.630 290 HA PRO 40 HA PRO 40 -13.043 22.211 27.529 291 HB2 PRO 40 HB2 PRO 40 -12.230 22.858 30.037 292 HB3 PRO 40 HB3 PRO 40 -12.212 21.202 29.419 293 HG2 PRO 40 HG2 PRO 40 -9.964 23.167 29.638 294 HG3 PRO 40 HG3 PRO 40 -9.978 21.435 30.020 295 HD2 PRO 40 HD2 PRO 40 -8.953 22.410 27.711 296 HD3 PRO 40 HD3 PRO 40 -9.733 20.819 27.812 297 H VAL 41 H VAL 41 -14.294 23.914 28.548 298 HA VAL 41 HA VAL 41 -14.027 26.402 27.390 299 HB VAL 41 HB VAL 41 -15.355 25.868 30.049 300 HG11 VAL 41 HG11 VAL 41 -15.951 27.956 27.956 301 HG12 VAL 41 HG12 VAL 41 -16.751 27.764 29.517 302 HG13 VAL 41 HG13 VAL 41 -15.056 28.248 29.447 303 HG21 VAL 41 HG21 VAL 41 -17.415 25.590 28.606 304 HG22 VAL 41 HG22 VAL 41 -16.321 25.446 27.230 305 HG23 VAL 41 HG23 VAL 41 -16.243 24.273 28.544 306 H THR 42 H THR 42 -12.665 28.030 27.676 307 HA THR 42 HA THR 42 -10.975 28.076 30.059 308 HB THR 42 HB THR 42 -10.618 30.061 27.865 309 HG1 THR 42 HG1 THR 42 -10.922 28.167 26.684 310 HG21 THR 42 HG21 THR 42 -8.929 30.339 29.372 311 HG22 THR 42 HG22 THR 42 -8.187 29.087 28.375 312 HG23 THR 42 HG23 THR 42 -8.972 28.655 29.895 313 H THR 43 H THR 43 -10.490 30.189 31.064 314 HA THR 43 HA THR 43 -12.725 31.420 32.110 315 HB THR 43 HB THR 43 -11.264 33.189 32.926 316 HG1 THR 43 HG1 THR 43 -9.340 32.093 31.127 317 HG21 THR 43 HG21 THR 43 -10.129 31.856 34.366 318 HG22 THR 43 HG22 THR 43 -9.404 30.897 33.075 319 HG23 THR 43 HG23 THR 43 -11.065 30.585 33.581 320 H SER 44 H SER 44 -13.194 33.841 31.945 321 HA SER 44 HA SER 44 -14.200 34.401 29.387 322 HB2 SER 44 HB2 SER 44 -13.677 36.631 31.309 323 HB3 SER 44 HB3 SER 44 -15.100 36.318 30.316 324 HG SER 44 HG SER 44 -15.354 35.912 32.619 325 H PHE 45 H PHE 45 -13.503 35.669 27.722 326 HA PHE 45 HA PHE 45 -10.672 36.427 27.795 327 HB2 PHE 45 HB2 PHE 45 -12.579 35.777 25.563 328 HB3 PHE 45 HB3 PHE 45 -11.077 36.639 25.246 329 HD1 PHE 45 HD1 PHE 45 -12.577 33.457 26.208 330 HD2 PHE 45 HD2 PHE 45 -8.932 35.539 25.500 331 HE1 PHE 45 HE1 PHE 45 -11.372 31.313 26.122 332 HE2 PHE 45 HE2 PHE 45 -7.722 33.398 25.412 333 HZ PHE 45 HZ PHE 45 -8.942 31.282 25.723 334 H ASN 46 H ASN 46 -10.047 38.417 26.624 335 HA ASN 46 HA ASN 46 -12.087 40.477 26.422 336 HB2 ASN 46 HB2 ASN 46 -11.168 40.376 28.831 337 HB3 ASN 46 HB3 ASN 46 -9.684 41.033 28.148 338 HD21 ASN 46 HD21 ASN 46 -12.121 41.962 29.884 339 HD22 ASN 46 HD22 ASN 46 -12.419 43.550 29.271 340 H CYS 47 H CYS 47 -11.609 41.997 24.921 341 HA CYS 47 HA CYS 47 -9.552 41.525 23.070 342 HB2 CYS 47 HB2 CYS 47 -10.183 43.767 22.147 343 HB3 CYS 47 HB3 CYS 47 -11.544 42.673 22.369 344 H ALA 48 H ALA 48 -7.758 42.906 22.498 345 HA ALA 48 HA ALA 48 -6.192 43.629 24.779 346 HB1 ALA 48 HB1 ALA 48 -4.553 44.397 22.988 347 HB2 ALA 48 HB2 ALA 48 -4.990 42.688 22.995 348 HB3 ALA 48 HB3 ALA 48 -5.719 43.779 21.817 349 H LYS 49 H LYS 49 -6.490 45.457 25.862 350 HA LYS 49 HA LYS 49 -7.755 47.751 24.693 351 HB2 LYS 49 HB2 LYS 49 -6.406 47.419 27.379 352 HB3 LYS 49 HB3 LYS 49 -7.401 48.788 26.902 353 HG2 LYS 49 HG2 LYS 49 -9.347 47.387 26.746 354 HG3 LYS 49 HG3 LYS 49 -8.377 45.944 27.048 355 HD2 LYS 49 HD2 LYS 49 -9.354 46.417 29.119 356 HD3 LYS 49 HD3 LYS 49 -7.725 47.083 29.254 357 HE2 LYS 49 HE2 LYS 49 -9.926 48.838 28.277 358 HE3 LYS 49 HE3 LYS 49 -9.832 48.472 29.999 359 HZ1 LYS 49 HZ1 LYS 49 -7.271 49.158 29.092 360 HZ2 LYS 49 HZ2 LYS 49 -8.247 49.983 30.200 361 HZ3 LYS 49 HZ3 LYS 49 -8.349 50.345 28.551 362 H GLU 50 H GLU 50 -6.739 49.966 25.013 363 HA GLU 50 HA GLU 50 -4.537 50.275 23.383 364 HB2 GLU 50 HB2 GLU 50 -6.254 52.009 24.362 365 HB3 GLU 50 HB3 GLU 50 -5.012 52.247 25.583 366 HG2 GLU 50 HG2 GLU 50 -3.538 52.410 23.321 367 HG3 GLU 50 HG3 GLU 50 -5.078 53.062 22.767 368 H GLY 51 H GLY 51 -2.401 50.057 23.613 369 HA2 GLY 51 HA2 GLY 51 -0.360 50.323 24.829 370 HA3 GLY 51 HA3 GLY 51 -1.256 50.078 26.321 371 H GLU 52 H GLU 52 -2.702 47.757 25.211 372 HA GLU 52 HA GLU 52 -0.975 45.728 26.098 373 HB2 GLU 52 HB2 GLU 52 -3.454 45.480 24.384 374 HB3 GLU 52 HB3 GLU 52 -2.679 44.165 25.257 375 HG2 GLU 52 HG2 GLU 52 -3.891 46.610 26.527 376 HG3 GLU 52 HG3 GLU 52 -4.667 45.032 26.404 377 H VAL 53 H VAL 53 -0.101 43.927 24.909 378 HA VAL 53 HA VAL 53 1.051 44.778 22.373 379 HB VAL 53 HB VAL 53 1.642 42.279 23.965 380 HG11 VAL 53 HG11 VAL 53 2.391 41.936 21.766 381 HG12 VAL 53 HG12 VAL 53 2.959 43.600 21.609 382 HG13 VAL 53 HG13 VAL 53 3.820 42.468 22.653 383 HG21 VAL 53 HG21 VAL 53 2.351 45.031 24.449 384 HG22 VAL 53 HG22 VAL 53 2.658 43.604 25.437 385 HG23 VAL 53 HG23 VAL 53 3.789 44.052 24.161 386 H CYS 54 H CYS 54 0.939 43.577 20.462 387 HA CYS 54 HA CYS 54 -1.281 41.640 20.356 388 HB2 CYS 54 HB2 CYS 54 -0.341 43.403 18.089 389 HB3 CYS 54 HB3 CYS 54 -1.790 42.404 18.136 390 H GLY 55 H GLY 55 -1.100 39.913 18.809 391 HA2 GLY 55 HA2 GLY 55 0.589 39.051 17.057 392 HA3 GLY 55 HA3 GLY 55 1.705 39.115 18.413 393 H TRP 56 H TRP 56 -0.174 38.244 20.400 394 HA TRP 56 HA TRP 56 -0.120 35.395 19.787 395 HB2 TRP 56 HB2 TRP 56 -0.798 36.765 22.398 396 HB3 TRP 56 HB3 TRP 56 -0.465 35.051 22.164 397 HD1 TRP 56 HD1 TRP 56 1.303 38.451 22.298 398 HE1 TRP 56 HE1 TRP 56 3.819 38.051 22.661 399 HE3 TRP 56 HE3 TRP 56 1.392 33.362 21.821 400 HZ2 TRP 56 HZ2 TRP 56 5.606 35.866 22.735 401 HZ3 TRP 56 HZ3 TRP 56 3.545 32.193 22.051 402 HH2 TRP 56 HH2 TRP 56 5.607 33.421 22.498 403 H GLY 57 H GLY 57 -2.004 36.481 18.245 404 HA2 GLY 57 HA2 GLY 57 -4.209 36.247 17.653 405 HA3 GLY 57 HA3 GLY 57 -4.351 35.106 18.982 406 H SER 58 H SER 58 -3.389 38.457 19.372 407 HA SER 58 HA SER 58 -5.881 38.912 20.872 408 HB2 SER 58 HB2 SER 58 -4.318 40.898 21.764 409 HB3 SER 58 HB3 SER 58 -4.297 39.288 22.483 410 HG SER 58 HG SER 58 -2.246 39.388 22.019 411 H LYS 59 H LYS 59 -7.310 40.152 19.877 412 HA LYS 59 HA LYS 59 -6.374 42.106 17.894 413 HB2 LYS 59 HB2 LYS 59 -9.224 41.217 18.293 414 HB3 LYS 59 HB3 LYS 59 -8.512 41.984 16.880 415 HG2 LYS 59 HG2 LYS 59 -7.841 39.214 17.851 416 HG3 LYS 59 HG3 LYS 59 -8.979 39.588 16.554 417 HD2 LYS 59 HD2 LYS 59 -6.263 40.754 16.342 418 HD3 LYS 59 HD3 LYS 59 -6.409 39.011 16.104 419 HE2 LYS 59 HE2 LYS 59 -8.128 41.018 14.663 420 HE3 LYS 59 HE3 LYS 59 -6.590 40.439 14.026 421 HZ1 LYS 59 HZ1 LYS 59 -7.938 38.921 13.074 422 HZ2 LYS 59 HZ2 LYS 59 -9.143 39.059 14.253 423 HZ3 LYS 59 HZ3 LYS 59 -7.762 38.131 14.559 424 H CYS 60 H CYS 60 -6.569 44.229 18.237 425 HA CYS 60 HA CYS 60 -7.197 45.284 20.744 426 HB2 CYS 60 HB2 CYS 60 -7.151 46.674 18.057 427 HB3 CYS 60 HB3 CYS 60 -7.152 47.490 19.618 428 H CYS 61 H CYS 61 -8.948 46.547 21.475 429 HA CYS 61 HA CYS 61 -11.498 45.547 20.809 430 HB2 CYS 61 HB2 CYS 61 -10.909 48.125 22.274 431 HB3 CYS 61 HB3 CYS 61 -12.366 47.143 22.389 432 H HIS 62 H HIS 62 -13.369 46.968 20.191 433 HA HIS 62 HA HIS 62 -13.107 47.921 17.614 434 HB2 HIS 62 HB2 HIS 62 -15.247 47.334 18.844 435 HB3 HIS 62 HB3 HIS 62 -15.173 48.938 19.567 436 HD1 HIS 62 HD1 HIS 62 -17.167 49.973 18.435 437 HD2 HIS 62 HD2 HIS 62 -14.508 48.253 15.746 438 HE1 HIS 62 HE1 HIS 62 -17.965 50.679 16.157 439 H GLY 63 H GLY 63 -12.331 49.725 16.725 440 HA2 GLY 63 HA2 GLY 63 -12.066 52.082 16.580 441 HA3 GLY 63 HA3 GLY 63 -12.221 52.179 18.328 442 H LEU 64 H LEU 64 -10.300 49.846 18.540 443 HA LEU 64 HA LEU 64 -7.866 51.468 18.311 444 HB2 LEU 64 HB2 LEU 64 -8.477 49.011 19.944 445 HB3 LEU 64 HB3 LEU 64 -6.901 49.797 19.882 446 HG LEU 64 HG LEU 64 -9.247 51.433 20.697 447 HD11 LEU 64 HD11 LEU 64 -9.423 50.589 22.828 448 HD12 LEU 64 HD12 LEU 64 -7.846 49.804 22.765 449 HD13 LEU 64 HD13 LEU 64 -9.210 49.112 21.888 450 HD21 LEU 64 HD21 LEU 64 -7.096 51.851 22.383 451 HD22 LEU 64 HD22 LEU 64 -7.534 52.828 20.982 452 HD23 LEU 64 HD23 LEU 64 -6.351 51.531 20.817 453 H ASP 65 H ASP 65 -5.859 50.370 17.698 454 HA ASP 65 HA ASP 65 -6.071 47.901 16.209 455 HB2 ASP 65 HB2 ASP 65 -6.761 49.906 14.694 456 HB3 ASP 65 HB3 ASP 65 -5.037 50.266 14.676 457 H CYS 66 H CYS 66 -3.959 47.159 15.410 458 HA CYS 66 HA CYS 66 -1.765 48.260 17.040 459 HB2 CYS 66 HB2 CYS 66 -2.794 45.594 16.812 460 HB3 CYS 66 HB3 CYS 66 -1.136 45.621 16.219 461 HA PRO 67 HA PRO 67 0.268 49.201 13.233 462 HB2 PRO 67 HB2 PRO 67 2.752 49.623 14.245 463 HB3 PRO 67 HB3 PRO 67 1.429 50.781 14.431 464 HG2 PRO 67 HG2 PRO 67 2.453 48.745 16.373 465 HG3 PRO 67 HG3 PRO 67 1.977 50.428 16.664 466 HD2 PRO 67 HD2 PRO 67 0.356 48.337 17.238 467 HD3 PRO 67 HD3 PRO 67 -0.269 49.916 16.721 468 H LEU 68 H LEU 68 2.157 48.472 11.955 469 HA LEU 68 HA LEU 68 2.558 45.597 12.318 470 HB2 LEU 68 HB2 LEU 68 3.110 47.390 9.958 471 HB3 LEU 68 HB3 LEU 68 3.374 45.647 9.990 472 HG LEU 68 HG LEU 68 0.689 46.992 10.287 473 HD11 LEU 68 HD11 LEU 68 2.217 46.041 7.932 474 HD12 LEU 68 HD12 LEU 68 1.063 47.366 8.078 475 HD13 LEU 68 HD13 LEU 68 0.486 45.703 7.977 476 HD21 LEU 68 HD21 LEU 68 0.700 44.226 9.470 477 HD22 LEU 68 HD22 LEU 68 -0.142 44.999 10.813 478 HD23 LEU 68 HD23 LEU 68 1.518 44.435 11.019 479 H ALA 69 H ALA 69 4.185 45.437 13.814 480 HA ALA 69 HA ALA 69 6.850 45.923 12.852 481 HB1 ALA 69 HB1 ALA 69 6.364 48.124 13.748 482 HB2 ALA 69 HB2 ALA 69 5.893 47.414 15.293 483 HB3 ALA 69 HB3 ALA 69 7.567 47.310 14.749 484 H PHE 70 H PHE 70 8.374 45.531 14.994 485 HA PHE 70 HA PHE 70 8.224 42.820 15.518 486 HB2 PHE 70 HB2 PHE 70 9.672 45.105 16.774 487 HB3 PHE 70 HB3 PHE 70 9.657 43.567 17.630 488 HD1 PHE 70 HD1 PHE 70 9.915 44.421 14.010 489 HD2 PHE 70 HD2 PHE 70 11.708 42.560 17.392 490 HE1 PHE 70 HE1 PHE 70 11.756 43.618 12.588 491 HE2 PHE 70 HE2 PHE 70 13.551 41.755 15.977 492 HZ PHE 70 HZ PHE 70 13.578 42.284 13.572 493 H ILE 71 H ILE 71 7.628 45.349 17.963 494 HA ILE 71 HA ILE 71 5.563 43.601 19.128 495 HB ILE 71 HB ILE 71 7.422 45.384 20.701 496 HG12 ILE 71 HG12 ILE 71 7.977 42.845 21.511 497 HG13 ILE 71 HG13 ILE 71 7.653 42.583 19.801 498 HG21 ILE 71 HG21 ILE 71 5.023 43.818 21.343 499 HG22 ILE 71 HG22 ILE 71 6.376 43.600 22.452 500 HG23 ILE 71 HG23 ILE 71 5.723 45.212 22.164 501 HD11 ILE 71 HD11 ILE 71 9.818 44.170 21.094 502 HD12 ILE 71 HD12 ILE 71 9.920 42.952 19.823 503 HD13 ILE 71 HD13 ILE 71 9.295 44.559 19.456 504 HA PRO 72 HA PRO 72 3.617 47.646 18.095 505 HB2 PRO 72 HB2 PRO 72 1.243 46.554 17.358 506 HB3 PRO 72 HB3 PRO 72 2.614 46.708 16.253 507 HG2 PRO 72 HG2 PRO 72 1.693 44.321 17.807 508 HG3 PRO 72 HG3 PRO 72 2.245 44.415 16.125 509 HD2 PRO 72 HD2 PRO 72 3.840 43.554 18.136 510 HD3 PRO 72 HD3 PRO 72 4.471 44.427 16.725 511 H TYR 73 H TYR 73 1.544 48.562 18.936 512 HA TYR 73 HA TYR 73 0.507 47.239 21.324 513 HB2 TYR 73 HB2 TYR 73 1.540 50.078 21.414 514 HB3 TYR 73 HB3 TYR 73 0.879 49.147 22.753 515 HD1 TYR 73 HD1 TYR 73 2.160 46.991 23.405 516 HD2 TYR 73 HD2 TYR 73 3.837 50.109 21.045 517 HE1 TYR 73 HE1 TYR 73 4.417 46.198 23.974 518 HE2 TYR 73 HE2 TYR 73 6.099 49.324 21.606 519 HH TYR 73 HH TYR 73 7.222 48.027 23.331 520 H CYS 74 H CYS 74 -1.619 47.560 21.602 521 HA CYS 74 HA CYS 74 -3.243 48.608 19.637 522 HB2 CYS 74 HB2 CYS 74 -3.719 48.134 22.572 523 HB3 CYS 74 HB3 CYS 74 -4.991 48.747 21.522 524 H GLU 75 H GLU 75 -4.235 50.546 19.244 525 HA GLU 75 HA GLU 75 -4.067 52.751 21.070 526 HB2 GLU 75 HB2 GLU 75 -2.640 54.191 19.826 527 HB3 GLU 75 HB3 GLU 75 -1.778 52.670 20.015 528 HG2 GLU 75 HG2 GLU 75 -1.378 53.054 17.818 529 HG3 GLU 75 HG3 GLU 75 -2.886 52.152 17.680 530 H LYS 76 H LYS 76 -5.493 54.382 20.569 531 HA LYS 76 HA LYS 76 -7.720 53.815 19.044 532 HB2 LYS 76 HB2 LYS 76 -6.568 56.457 19.930 533 HB3 LYS 76 HB3 LYS 76 -8.116 56.334 19.104 534 HG2 LYS 76 HG2 LYS 76 -7.455 54.922 21.678 535 HG3 LYS 76 HG3 LYS 76 -8.290 56.474 21.573 536 HD2 LYS 76 HD2 LYS 76 -10.007 55.337 20.132 537 HD3 LYS 76 HD3 LYS 76 -9.224 53.805 20.528 538 HE2 LYS 76 HE2 LYS 76 -9.580 54.361 22.948 539 HE3 LYS 76 HE3 LYS 76 -10.552 55.736 22.424 540 HZ1 LYS 76 HZ1 LYS 76 -11.105 52.876 21.845 541 HZ2 LYS 76 HZ2 LYS 76 -12.015 54.176 21.259 542 HZ3 LYS 76 HZ3 LYS 76 -11.959 53.863 22.921 543 H TYR 77 H TYR 77 -7.989 53.595 16.932 544 HA TYR 77 HA TYR 77 -6.063 54.162 15.001 545 HB2 TYR 77 HB2 TYR 77 -7.885 52.560 14.645 546 HB3 TYR 77 HB3 TYR 77 -9.054 53.876 14.639 547 HD1 TYR 77 HD1 TYR 77 -9.755 54.674 12.592 548 HD2 TYR 77 HD2 TYR 77 -5.912 52.871 12.877 549 HE1 TYR 77 HE1 TYR 77 -9.462 54.929 10.163 550 HE2 TYR 77 HE2 TYR 77 -5.607 53.122 10.450 551 HH TYR 77 HH TYR 77 -7.582 55.076 8.541 552 H ARG 78 H ARG 78 -5.474 55.951 13.961 553 HA ARG 78 HA ARG 78 -6.760 58.453 14.592 554 HB2 ARG 78 HB2 ARG 78 -4.220 57.964 14.275 555 HB3 ARG 78 HB3 ARG 78 -4.572 58.150 12.562 556 HG2 ARG 78 HG2 ARG 78 -5.416 60.402 12.972 557 HG3 ARG 78 HG3 ARG 78 -5.080 60.215 14.695 558 HD2 ARG 78 HD2 ARG 78 -2.799 60.327 14.400 559 HD3 ARG 78 HD3 ARG 78 -2.883 59.768 12.730 560 HE ARG 78 HE ARG 78 -4.114 62.320 13.075 561 HH11 ARG 78 HH11 ARG 78 -1.052 60.706 12.694 562 HH12 ARG 78 HH12 ARG 78 -0.261 62.088 12.011 563 HH21 ARG 78 HH21 ARG 78 -3.084 64.146 12.177 564 HH22 ARG 78 HH22 ARG 78 -1.417 64.044 11.718 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -0.378 -1.529 -1.190 2 HA2 GLY 1 HA2 GLY 1 1.342 -1.607 -3.405 3 HA3 GLY 1 HA3 GLY 1 0.549 -0.039 -3.386 4 H ASP 2 H ASP 2 2.675 0.865 -3.085 5 HA ASP 2 HA ASP 2 4.012 0.333 -0.563 6 HB2 ASP 2 HB2 ASP 2 4.732 2.403 -2.643 7 HB3 ASP 2 HB3 ASP 2 5.768 1.757 -1.373 8 H CYS 3 H CYS 3 4.497 1.993 0.978 9 HA CYS 3 HA CYS 3 3.304 4.560 0.899 10 HB2 CYS 3 HB2 CYS 3 1.543 4.308 2.518 11 HB3 CYS 3 HB3 CYS 3 1.264 3.147 1.225 12 H ALA 4 H ALA 4 3.373 5.602 3.147 13 HA ALA 4 HA ALA 4 5.831 4.686 4.474 14 HB1 ALA 4 HB1 ALA 4 6.239 6.921 5.122 15 HB2 ALA 4 HB2 ALA 4 5.731 6.987 3.433 16 HB3 ALA 4 HB3 ALA 4 4.597 7.418 4.713 17 H LYS 5 H LYS 5 5.729 3.889 6.466 18 HA LYS 5 HA LYS 5 3.336 3.439 7.830 19 HB2 LYS 5 HB2 LYS 5 6.186 3.460 8.833 20 HB3 LYS 5 HB3 LYS 5 4.820 2.896 9.787 21 HG2 LYS 5 HG2 LYS 5 5.278 1.720 7.091 22 HG3 LYS 5 HG3 LYS 5 6.302 1.218 8.438 23 HD2 LYS 5 HD2 LYS 5 3.347 1.264 8.823 24 HD3 LYS 5 HD3 LYS 5 4.060 -0.049 7.882 25 HE2 LYS 5 HE2 LYS 5 4.105 -0.945 9.999 26 HE3 LYS 5 HE3 LYS 5 5.704 -0.209 9.909 27 HZ1 LYS 5 HZ1 LYS 5 3.819 0.240 11.837 28 HZ2 LYS 5 HZ2 LYS 5 3.737 1.623 10.868 29 HZ3 LYS 5 HZ3 LYS 5 5.209 1.165 11.565 30 H GLU 6 H GLU 6 2.752 4.219 10.011 31 HA GLU 6 HA GLU 6 2.380 6.986 10.057 32 HB2 GLU 6 HB2 GLU 6 0.939 5.410 11.268 33 HB3 GLU 6 HB3 GLU 6 2.262 5.035 12.363 34 HG2 GLU 6 HG2 GLU 6 2.271 7.391 13.102 35 HG3 GLU 6 HG3 GLU 6 0.872 7.687 12.071 36 H GLY 7 H GLY 7 3.639 8.629 10.647 37 HA2 GLY 7 HA2 GLY 7 5.159 9.746 12.076 38 HA3 GLY 7 HA3 GLY 7 5.765 8.186 12.611 39 H GLU 8 H GLU 8 5.988 7.221 9.815 40 HA GLU 8 HA GLU 8 8.666 8.092 9.355 41 HB2 GLU 8 HB2 GLU 8 6.783 6.247 7.914 42 HB3 GLU 8 HB3 GLU 8 8.327 6.690 7.201 43 HG2 GLU 8 HG2 GLU 8 7.923 5.332 9.855 44 HG3 GLU 8 HG3 GLU 8 8.483 4.572 8.366 45 H VAL 9 H VAL 9 9.498 9.346 7.714 46 HA VAL 9 HA VAL 9 7.942 11.502 6.804 47 HB VAL 9 HB VAL 9 10.543 10.570 5.589 48 HG11 VAL 9 HG11 VAL 9 10.023 12.290 4.229 49 HG12 VAL 9 HG12 VAL 9 8.877 12.989 5.375 50 HG13 VAL 9 HG13 VAL 9 10.608 13.269 5.573 51 HG21 VAL 9 HG21 VAL 9 11.181 12.563 7.357 52 HG22 VAL 9 HG22 VAL 9 9.955 11.652 8.238 53 HG23 VAL 9 HG23 VAL 9 11.400 10.836 7.641 54 H CYS 10 H CYS 10 7.238 12.063 4.714 55 HA CYS 10 HA CYS 10 6.860 9.769 2.902 56 HB2 CYS 10 HB2 CYS 10 4.724 10.727 2.239 57 HB3 CYS 10 HB3 CYS 10 4.762 10.503 3.985 58 H SER 11 H SER 11 7.326 10.026 0.777 59 HA SER 11 HA SER 11 8.327 12.672 -0.051 60 HB2 SER 11 HB2 SER 11 9.967 11.589 -1.430 61 HB3 SER 11 HB3 SER 11 10.062 10.853 0.170 62 HG SER 11 HG SER 11 9.776 9.590 -2.061 63 H TRP 12 H TRP 12 8.579 12.393 -2.701 64 HA TRP 12 HA TRP 12 5.972 12.729 -3.667 65 HB2 TRP 12 HB2 TRP 12 8.159 13.595 -4.668 66 HB3 TRP 12 HB3 TRP 12 8.336 11.999 -5.392 67 HD1 TRP 12 HD1 TRP 12 6.528 15.276 -5.825 68 HE1 TRP 12 HE1 TRP 12 5.109 15.197 -7.970 69 HE3 TRP 12 HE3 TRP 12 6.925 10.289 -6.875 70 HZ2 TRP 12 HZ2 TRP 12 4.269 13.274 -9.858 71 HZ3 TRP 12 HZ3 TRP 12 5.783 9.410 -8.869 72 HH2 TRP 12 HH2 TRP 12 4.482 10.873 -10.329 73 H GLY 13 H GLY 13 8.093 9.922 -3.626 74 HA2 GLY 13 HA2 GLY 13 6.135 8.354 -5.134 75 HA3 GLY 13 HA3 GLY 13 7.753 7.835 -4.683 76 H LYS 14 H LYS 14 7.246 8.822 -1.884 77 HA LYS 14 HA LYS 14 5.763 6.449 -0.991 78 HB2 LYS 14 HB2 LYS 14 8.139 7.862 -0.032 79 HB3 LYS 14 HB3 LYS 14 6.985 7.503 1.246 80 HG2 LYS 14 HG2 LYS 14 7.526 5.269 -0.573 81 HG3 LYS 14 HG3 LYS 14 8.912 5.809 0.378 82 HD2 LYS 14 HD2 LYS 14 6.387 5.550 1.868 83 HD3 LYS 14 HD3 LYS 14 7.057 4.038 1.251 84 HE2 LYS 14 HE2 LYS 14 7.893 4.441 3.480 85 HE3 LYS 14 HE3 LYS 14 9.211 4.595 2.320 86 HZ1 LYS 14 HZ1 LYS 14 7.708 6.977 3.185 87 HZ2 LYS 14 HZ2 LYS 14 9.282 6.875 2.575 88 HZ3 LYS 14 HZ3 LYS 14 8.952 6.360 4.152 89 H LYS 15 H LYS 15 3.703 6.858 -0.538 90 HA LYS 15 HA LYS 15 3.010 9.433 0.705 91 HB2 LYS 15 HB2 LYS 15 1.310 7.467 -0.836 92 HB3 LYS 15 HB3 LYS 15 0.677 8.895 -0.028 93 HG2 LYS 15 HG2 LYS 15 2.896 9.270 -1.960 94 HG3 LYS 15 HG3 LYS 15 1.295 8.889 -2.597 95 HD2 LYS 15 HD2 LYS 15 0.345 10.824 -1.663 96 HD3 LYS 15 HD3 LYS 15 1.719 11.080 -0.584 97 HE2 LYS 15 HE2 LYS 15 2.107 11.131 -3.549 98 HE3 LYS 15 HE3 LYS 15 1.455 12.544 -2.721 99 HZ1 LYS 15 HZ1 LYS 15 4.103 11.276 -2.375 100 HZ2 LYS 15 HZ2 LYS 15 3.464 12.319 -1.207 101 HZ3 LYS 15 HZ3 LYS 15 3.748 12.880 -2.777 102 H CYS 16 H CYS 16 1.719 9.503 2.546 103 HA CYS 16 HA CYS 16 2.154 7.607 4.510 104 HB2 CYS 16 HB2 CYS 16 -0.105 9.602 4.262 105 HB3 CYS 16 HB3 CYS 16 0.264 8.701 5.729 106 H CYS 17 H CYS 17 1.295 5.694 5.013 107 HA CYS 17 HA CYS 17 -0.324 4.244 3.311 108 HB2 CYS 17 HB2 CYS 17 -0.072 3.880 6.305 109 HB3 CYS 17 HB3 CYS 17 -0.618 2.661 5.157 110 H ASP 18 H ASP 18 -1.234 6.285 6.032 111 HA ASP 18 HA ASP 18 -4.068 5.814 5.382 112 HB2 ASP 18 HB2 ASP 18 -3.166 7.109 7.933 113 HB3 ASP 18 HB3 ASP 18 -4.640 6.200 7.607 114 H LEU 19 H LEU 19 -4.610 7.333 3.924 115 HA LEU 19 HA LEU 19 -3.603 10.038 4.130 116 HB2 LEU 19 HB2 LEU 19 -5.593 8.817 2.222 117 HB3 LEU 19 HB3 LEU 19 -4.911 10.437 2.091 118 HG LEU 19 HG LEU 19 -3.455 7.817 1.769 119 HD11 LEU 19 HD11 LEU 19 -4.881 8.637 -0.119 120 HD12 LEU 19 HD12 LEU 19 -3.169 8.465 -0.502 121 HD13 LEU 19 HD13 LEU 19 -3.847 10.064 -0.195 122 HD21 LEU 19 HD21 LEU 19 -2.028 9.397 2.938 123 HD22 LEU 19 HD22 LEU 19 -2.376 10.634 1.730 124 HD23 LEU 19 HD23 LEU 19 -1.478 9.185 1.276 125 H ASP 20 H ASP 20 -6.613 8.309 4.679 126 HA ASP 20 HA ASP 20 -8.328 10.500 4.984 127 HB2 ASP 20 HB2 ASP 20 -8.460 7.841 6.423 128 HB3 ASP 20 HB3 ASP 20 -9.790 8.976 6.212 129 H ASN 21 H ASN 21 -6.157 8.918 7.265 130 HA ASN 21 HA ASN 21 -6.961 10.788 9.368 131 HB2 ASN 21 HB2 ASN 21 -5.082 8.421 9.528 132 HB3 ASN 21 HB3 ASN 21 -5.689 9.364 10.886 133 HD21 ASN 21 HD21 ASN 21 -6.163 6.669 8.971 134 HD22 ASN 21 HD22 ASN 21 -7.769 6.273 9.469 135 H PHE 22 H PHE 22 -3.916 9.511 8.013 136 HA PHE 22 HA PHE 22 -2.541 11.933 8.891 137 HB2 PHE 22 HB2 PHE 22 -1.273 9.565 7.527 138 HB3 PHE 22 HB3 PHE 22 -0.507 10.764 8.564 139 HD1 PHE 22 HD1 PHE 22 -0.876 7.543 8.589 140 HD2 PHE 22 HD2 PHE 22 -2.370 10.831 10.840 141 HE1 PHE 22 HE1 PHE 22 -1.198 6.064 10.529 142 HE2 PHE 22 HE2 PHE 22 -2.694 9.358 12.784 143 HZ PHE 22 HZ PHE 22 -2.109 6.971 12.630 144 H TYR 23 H TYR 23 -0.830 12.772 7.313 145 HA TYR 23 HA TYR 23 -1.233 12.491 4.523 146 HB2 TYR 23 HB2 TYR 23 -2.094 14.843 4.147 147 HB3 TYR 23 HB3 TYR 23 -3.266 13.700 4.796 148 HD1 TYR 23 HD1 TYR 23 -1.505 16.801 5.340 149 HD2 TYR 23 HD2 TYR 23 -3.838 13.790 7.236 150 HE1 TYR 23 HE1 TYR 23 -1.958 18.336 7.207 151 HE2 TYR 23 HE2 TYR 23 -4.298 15.318 9.109 152 HH TYR 23 HH TYR 23 -3.400 18.682 8.998 153 H CYS 24 H CYS 24 -0.165 14.490 3.357 154 HA CYS 24 HA CYS 24 2.311 15.075 4.837 155 HB2 CYS 24 HB2 CYS 24 1.853 14.973 1.848 156 HB3 CYS 24 HB3 CYS 24 3.391 15.301 2.640 157 HA PRO 25 HA PRO 25 0.264 19.173 4.503 158 HB2 PRO 25 HB2 PRO 25 1.267 20.096 6.850 159 HB3 PRO 25 HB3 PRO 25 -0.202 19.117 6.752 160 HG2 PRO 25 HG2 PRO 25 2.589 18.282 7.442 161 HG3 PRO 25 HG3 PRO 25 1.059 17.811 8.206 162 HD2 PRO 25 HD2 PRO 25 2.352 16.223 6.435 163 HD3 PRO 25 HD3 PRO 25 0.583 16.248 6.580 164 H MET 26 H MET 26 1.237 21.352 4.516 165 HA MET 26 HA MET 26 3.821 21.300 3.239 166 HB2 MET 26 HB2 MET 26 1.778 22.775 2.638 167 HB3 MET 26 HB3 MET 26 2.316 23.798 3.963 168 HG2 MET 26 HG2 MET 26 4.195 24.482 2.861 169 HG3 MET 26 HG3 MET 26 4.289 23.017 1.886 170 HE1 MET 26 HE1 MET 26 2.394 23.345 -1.037 171 HE2 MET 26 HE2 MET 26 2.561 22.319 0.387 172 HE3 MET 26 HE3 MET 26 1.069 23.222 0.121 173 H GLU 27 H GLU 27 5.540 21.062 4.533 174 HA GLU 27 HA GLU 27 6.193 23.132 6.399 175 HB2 GLU 27 HB2 GLU 27 6.415 21.711 8.380 176 HB3 GLU 27 HB3 GLU 27 4.747 21.775 7.829 177 HG2 GLU 27 HG2 GLU 27 5.348 19.592 6.567 178 HG3 GLU 27 HG3 GLU 27 6.692 19.517 7.704 179 H PHE 28 H PHE 28 8.334 22.593 7.527 180 HA PHE 28 HA PHE 28 10.301 22.140 5.646 181 HB2 PHE 28 HB2 PHE 28 10.478 21.698 8.634 182 HB3 PHE 28 HB3 PHE 28 11.853 21.871 7.548 183 HD1 PHE 28 HD1 PHE 28 9.799 23.547 9.799 184 HD2 PHE 28 HD2 PHE 28 11.757 24.074 6.057 185 HE1 PHE 28 HE1 PHE 28 9.727 25.987 10.109 186 HE2 PHE 28 HE2 PHE 28 11.689 26.514 6.361 187 HZ PHE 28 HZ PHE 28 10.673 27.474 8.389 188 H ILE 29 H ILE 29 9.191 19.851 8.143 189 HA ILE 29 HA ILE 29 10.136 17.662 6.410 190 HB ILE 29 HB ILE 29 10.091 17.568 9.425 191 HG12 ILE 29 HG12 ILE 29 12.713 17.515 8.842 192 HG13 ILE 29 HG13 ILE 29 12.156 18.533 7.519 193 HG21 ILE 29 HG21 ILE 29 11.633 15.775 7.587 194 HG22 ILE 29 HG22 ILE 29 11.136 15.496 9.255 195 HG23 ILE 29 HG23 ILE 29 9.940 15.455 7.961 196 HD11 ILE 29 HD11 ILE 29 10.908 19.733 9.560 197 HD12 ILE 29 HD12 ILE 29 12.318 19.091 10.403 198 HD13 ILE 29 HD13 ILE 29 12.530 20.163 9.019 199 HA PRO 30 HA PRO 30 5.698 16.857 6.752 200 HB2 PRO 30 HB2 PRO 30 5.627 15.173 4.624 201 HB3 PRO 30 HB3 PRO 30 5.607 16.933 4.458 202 HG2 PRO 30 HG2 PRO 30 7.899 15.029 4.173 203 HG3 PRO 30 HG3 PRO 30 7.472 16.424 3.166 204 HD2 PRO 30 HD2 PRO 30 9.412 16.529 5.052 205 HD3 PRO 30 HD3 PRO 30 8.408 17.932 4.637 206 H HIS 31 H HIS 31 4.984 15.451 8.215 207 HA HIS 31 HA HIS 31 6.213 12.773 8.316 208 HB2 HIS 31 HB2 HIS 31 4.923 14.305 10.584 209 HB3 HIS 31 HB3 HIS 31 5.679 12.718 10.700 210 HD1 HIS 31 HD1 HIS 31 6.393 15.984 11.621 211 HD2 HIS 31 HD2 HIS 31 8.568 13.104 9.563 212 HE1 HIS 31 HE1 HIS 31 8.801 16.672 11.846 213 H CYS 32 H CYS 32 4.767 11.045 9.124 214 HA CYS 32 HA CYS 32 2.092 11.375 7.968 215 HB2 CYS 32 HB2 CYS 32 3.800 8.952 8.517 216 HB3 CYS 32 HB3 CYS 32 2.091 8.820 8.115 217 H LYS 33 H LYS 33 2.364 12.555 10.417 218 HA LYS 33 HA LYS 33 1.022 10.683 12.254 219 HB2 LYS 33 HB2 LYS 33 3.232 11.691 12.980 220 HB3 LYS 33 HB3 LYS 33 2.416 13.248 13.023 221 HG2 LYS 33 HG2 LYS 33 2.432 12.430 15.235 222 HG3 LYS 33 HG3 LYS 33 0.782 12.228 14.639 223 HD2 LYS 33 HD2 LYS 33 1.417 10.236 15.821 224 HD3 LYS 33 HD3 LYS 33 1.333 9.861 14.098 225 HE2 LYS 33 HE2 LYS 33 3.625 9.678 13.894 226 HE3 LYS 33 HE3 LYS 33 3.936 10.697 15.298 227 HZ1 LYS 33 HZ1 LYS 33 4.070 8.902 16.561 228 HZ2 LYS 33 HZ2 LYS 33 3.871 7.923 15.196 229 HZ3 LYS 33 HZ3 LYS 33 2.523 8.397 16.101 230 H LYS 34 H LYS 34 -1.009 11.101 12.863 231 HA LYS 34 HA LYS 34 -2.595 12.995 11.580 232 HB2 LYS 34 HB2 LYS 34 -4.264 12.494 13.408 233 HB3 LYS 34 HB3 LYS 34 -3.652 11.093 12.539 234 HG2 LYS 34 HG2 LYS 34 -2.130 10.597 14.365 235 HG3 LYS 34 HG3 LYS 34 -2.682 12.032 15.231 236 HD2 LYS 34 HD2 LYS 34 -4.405 9.677 14.462 237 HD3 LYS 34 HD3 LYS 34 -3.747 9.983 16.071 238 HE2 LYS 34 HE2 LYS 34 -4.972 12.344 15.563 239 HE3 LYS 34 HE3 LYS 34 -6.017 11.236 14.676 240 HZ1 LYS 34 HZ1 LYS 34 -6.569 11.684 17.100 241 HZ2 LYS 34 HZ2 LYS 34 -5.237 10.713 17.478 242 HZ3 LYS 34 HZ3 LYS 34 -6.535 10.066 16.608 243 H TYR 35 H TYR 35 -2.904 15.103 11.861 244 HA TYR 35 HA TYR 35 -1.584 16.444 14.072 245 HB2 TYR 35 HB2 TYR 35 -2.796 17.306 11.480 246 HB3 TYR 35 HB3 TYR 35 -2.611 18.496 12.763 247 HD1 TYR 35 HD1 TYR 35 -0.746 16.092 10.644 248 HD2 TYR 35 HD2 TYR 35 -0.513 19.477 13.211 249 HE1 TYR 35 HE1 TYR 35 1.604 16.414 9.996 250 HE2 TYR 35 HE2 TYR 35 1.837 19.810 12.568 251 HH TYR 35 HH TYR 35 3.716 18.405 11.672 252 H LYS 36 H LYS 36 -2.677 18.080 15.348 253 HA LYS 36 HA LYS 36 -5.119 17.121 16.443 254 HB2 LYS 36 HB2 LYS 36 -3.947 19.855 16.926 255 HB3 LYS 36 HB3 LYS 36 -4.941 18.893 18.012 256 HG2 LYS 36 HG2 LYS 36 -2.828 17.239 17.658 257 HG3 LYS 36 HG3 LYS 36 -2.049 18.818 17.529 258 HD2 LYS 36 HD2 LYS 36 -3.889 18.038 19.786 259 HD3 LYS 36 HD3 LYS 36 -2.133 17.861 19.848 260 HE2 LYS 36 HE2 LYS 36 -3.118 20.513 19.026 261 HE3 LYS 36 HE3 LYS 36 -3.475 20.054 20.691 262 HZ1 LYS 36 HZ1 LYS 36 -1.429 20.798 21.108 263 HZ2 LYS 36 HZ2 LYS 36 -0.962 20.761 19.483 264 HZ3 LYS 36 HZ3 LYS 36 -0.881 19.354 20.417 265 HA PRO 37 HA PRO 37 -8.154 19.237 14.078 266 HB2 PRO 37 HB2 PRO 37 -10.053 19.699 15.962 267 HB3 PRO 37 HB3 PRO 37 -9.728 18.093 15.299 268 HG2 PRO 37 HG2 PRO 37 -8.799 19.303 17.875 269 HG3 PRO 37 HG3 PRO 37 -9.413 17.669 17.564 270 HD2 PRO 37 HD2 PRO 37 -6.771 18.213 17.798 271 HD3 PRO 37 HD3 PRO 37 -7.392 16.931 16.738 272 H TYR 38 H TYR 38 -8.101 21.255 13.336 273 HA TYR 38 HA TYR 38 -6.990 23.428 14.687 274 HB2 TYR 38 HB2 TYR 38 -8.929 23.460 12.365 275 HB3 TYR 38 HB3 TYR 38 -7.918 24.809 12.870 276 HD1 TYR 38 HD1 TYR 38 -8.160 22.036 10.709 277 HD2 TYR 38 HD2 TYR 38 -5.342 24.319 12.933 278 HE1 TYR 38 HE1 TYR 38 -6.356 21.221 9.249 279 HE2 TYR 38 HE2 TYR 38 -3.530 23.512 11.478 280 HH TYR 38 HH TYR 38 -3.822 20.903 9.455 281 H VAL 39 H VAL 39 -7.820 25.121 15.837 282 HA VAL 39 HA VAL 39 -10.593 24.805 16.761 283 HB VAL 39 HB VAL 39 -8.325 26.324 18.056 284 HG11 VAL 39 HG11 VAL 39 -11.064 25.666 19.132 285 HG12 VAL 39 HG12 VAL 39 -9.797 26.576 19.955 286 HG13 VAL 39 HG13 VAL 39 -10.572 27.243 18.518 287 HG21 VAL 39 HG21 VAL 39 -7.693 24.175 18.475 288 HG22 VAL 39 HG22 VAL 39 -8.835 24.392 19.801 289 HG23 VAL 39 HG23 VAL 39 -9.335 23.546 18.336 290 HA PRO 40 HA PRO 40 -11.678 28.478 14.548 291 HB2 PRO 40 HB2 PRO 40 -14.077 28.908 15.743 292 HB3 PRO 40 HB3 PRO 40 -13.818 27.643 14.537 293 HG2 PRO 40 HG2 PRO 40 -13.891 27.428 17.521 294 HG3 PRO 40 HG3 PRO 40 -14.615 26.360 16.305 295 HD2 PRO 40 HD2 PRO 40 -12.291 25.770 17.563 296 HD3 PRO 40 HD3 PRO 40 -12.624 25.274 15.892 297 H VAL 41 H VAL 41 -11.752 30.700 14.860 298 HA VAL 41 HA VAL 41 -10.517 31.684 17.233 299 HB VAL 41 HB VAL 41 -11.796 33.241 14.982 300 HG11 VAL 41 HG11 VAL 41 -11.431 35.000 16.300 301 HG12 VAL 41 HG12 VAL 41 -10.521 34.034 17.462 302 HG13 VAL 41 HG13 VAL 41 -9.709 34.713 16.051 303 HG21 VAL 41 HG21 VAL 41 -9.181 31.886 15.274 304 HG22 VAL 41 HG22 VAL 41 -10.144 32.194 13.829 305 HG23 VAL 41 HG23 VAL 41 -9.173 33.487 14.534 306 H THR 42 H THR 42 -11.398 32.512 19.021 307 HA THR 42 HA THR 42 -14.308 32.985 19.035 308 HB THR 42 HB THR 42 -14.128 32.532 21.532 309 HG1 THR 42 HG1 THR 42 -12.063 32.429 22.094 310 HG21 THR 42 HG21 THR 42 -13.495 29.928 20.704 311 HG22 THR 42 HG22 THR 42 -14.230 30.711 19.305 312 HG23 THR 42 HG23 THR 42 -15.099 30.649 20.839 313 H THR 43 H THR 43 -15.053 34.584 20.645 314 HA THR 43 HA THR 43 -13.178 36.845 20.760 315 HB THR 43 HB THR 43 -15.282 38.202 21.197 316 HG1 THR 43 HG1 THR 43 -16.642 35.962 20.117 317 HG21 THR 43 HG21 THR 43 -14.403 36.940 18.703 318 HG22 THR 43 HG22 THR 43 -14.734 38.635 19.060 319 HG23 THR 43 HG23 THR 43 -16.059 37.544 18.658 320 H SER 44 H SER 44 -12.161 35.874 22.661 321 HA SER 44 HA SER 44 -13.742 35.809 25.099 322 HB2 SER 44 HB2 SER 44 -12.004 34.071 24.610 323 HB3 SER 44 HB3 SER 44 -10.774 35.325 24.764 324 HG SER 44 HG SER 44 -10.843 34.886 26.811 325 H PHE 45 H PHE 45 -12.814 36.875 27.074 326 HA PHE 45 HA PHE 45 -12.587 39.667 26.614 327 HB2 PHE 45 HB2 PHE 45 -12.300 37.971 29.092 328 HB3 PHE 45 HB3 PHE 45 -12.130 39.723 29.121 329 HD1 PHE 45 HD1 PHE 45 -14.379 37.019 29.387 330 HD2 PHE 45 HD2 PHE 45 -14.110 41.075 28.125 331 HE1 PHE 45 HE1 PHE 45 -16.819 37.245 29.605 332 HE2 PHE 45 HE2 PHE 45 -16.549 41.308 28.342 333 HZ PHE 45 HZ PHE 45 -17.907 39.392 29.084 334 H ASN 46 H ASN 46 -10.849 40.915 26.353 335 HA ASN 46 HA ASN 46 -8.326 40.447 27.518 336 HB2 ASN 46 HB2 ASN 46 -8.314 38.625 25.798 337 HB3 ASN 46 HB3 ASN 46 -8.427 39.864 24.552 338 HD21 ASN 46 HD21 ASN 46 -6.529 39.930 23.582 339 HD22 ASN 46 HD22 ASN 46 -4.995 40.037 24.369 340 H CYS 47 H CYS 47 -6.749 42.064 26.931 341 HA CYS 47 HA CYS 47 -7.869 44.604 26.510 342 HB2 CYS 47 HB2 CYS 47 -5.492 45.366 26.318 343 HB3 CYS 47 HB3 CYS 47 -5.817 44.392 27.748 344 H ALA 48 H ALA 48 -7.226 46.142 24.786 345 HA ALA 48 HA ALA 48 -7.656 44.916 22.191 346 HB1 ALA 48 HB1 ALA 48 -7.653 47.423 21.505 347 HB2 ALA 48 HB2 ALA 48 -9.011 46.771 22.423 348 HB3 ALA 48 HB3 ALA 48 -7.763 47.711 23.242 349 H LYS 49 H LYS 49 -5.935 44.174 21.136 350 HA LYS 49 HA LYS 49 -3.287 45.143 21.578 351 HB2 LYS 49 HB2 LYS 49 -2.638 43.581 19.810 352 HB3 LYS 49 HB3 LYS 49 -3.719 42.810 20.964 353 HG2 LYS 49 HG2 LYS 49 -5.567 42.995 19.443 354 HG3 LYS 49 HG3 LYS 49 -4.592 43.937 18.313 355 HD2 LYS 49 HD2 LYS 49 -3.574 41.265 19.115 356 HD3 LYS 49 HD3 LYS 49 -4.965 41.318 18.029 357 HE2 LYS 49 HE2 LYS 49 -3.147 41.279 16.577 358 HE3 LYS 49 HE3 LYS 49 -3.562 42.990 16.663 359 HZ1 LYS 49 HZ1 LYS 49 -1.606 43.479 17.574 360 HZ2 LYS 49 HZ2 LYS 49 -1.100 41.938 17.094 361 HZ3 LYS 49 HZ3 LYS 49 -1.671 42.188 18.666 362 H GLU 50 H GLU 50 -1.888 45.739 19.622 363 HA GLU 50 HA GLU 50 -2.588 48.224 18.668 364 HB2 GLU 50 HB2 GLU 50 -0.300 47.484 18.596 365 HB3 GLU 50 HB3 GLU 50 -0.704 46.184 17.484 366 HG2 GLU 50 HG2 GLU 50 -0.878 47.588 15.681 367 HG3 GLU 50 HG3 GLU 50 -1.248 48.995 16.676 368 H GLY 51 H GLY 51 -3.918 48.966 17.144 369 HA2 GLY 51 HA2 GLY 51 -4.847 48.943 14.946 370 HA3 GLY 51 HA3 GLY 51 -4.671 47.195 14.925 371 H GLU 52 H GLU 52 -5.815 46.977 17.659 372 HA GLU 52 HA GLU 52 -8.501 46.552 16.924 373 HB2 GLU 52 HB2 GLU 52 -7.255 46.746 19.672 374 HB3 GLU 52 HB3 GLU 52 -8.874 46.145 19.344 375 HG2 GLU 52 HG2 GLU 52 -6.337 44.929 18.276 376 HG3 GLU 52 HG3 GLU 52 -7.222 44.355 19.689 377 H VAL 53 H VAL 53 -10.398 47.627 17.526 378 HA VAL 53 HA VAL 53 -10.126 50.496 17.703 379 HB VAL 53 HB VAL 53 -12.691 48.909 17.744 380 HG11 VAL 53 HG11 VAL 53 -13.567 51.006 16.680 381 HG12 VAL 53 HG12 VAL 53 -13.044 51.184 18.356 382 HG13 VAL 53 HG13 VAL 53 -12.015 51.760 17.044 383 HG21 VAL 53 HG21 VAL 53 -11.620 48.151 15.795 384 HG22 VAL 53 HG22 VAL 53 -12.690 49.443 15.249 385 HG23 VAL 53 HG23 VAL 53 -10.962 49.747 15.433 386 H CYS 54 H CYS 54 -11.140 51.813 19.301 387 HA CYS 54 HA CYS 54 -11.422 50.466 21.907 388 HB2 CYS 54 HB2 CYS 54 -10.646 53.354 21.517 389 HB3 CYS 54 HB3 CYS 54 -10.502 52.379 22.976 390 H GLY 55 H GLY 55 -12.645 52.091 23.485 391 HA2 GLY 55 HA2 GLY 55 -14.502 53.496 23.844 392 HA3 GLY 55 HA3 GLY 55 -14.885 53.389 22.132 393 H TRP 56 H TRP 56 -14.830 50.562 21.903 394 HA TRP 56 HA TRP 56 -17.436 49.983 23.030 395 HB2 TRP 56 HB2 TRP 56 -15.655 48.599 21.038 396 HB3 TRP 56 HB3 TRP 56 -17.074 47.795 21.704 397 HD1 TRP 56 HD1 TRP 56 -16.049 50.531 19.273 398 HE1 TRP 56 HE1 TRP 56 -18.119 51.291 17.946 399 HE3 TRP 56 HE3 TRP 56 -19.657 48.036 21.898 400 HZ2 TRP 56 HZ2 TRP 56 -20.912 50.886 18.004 401 HZ3 TRP 56 HZ3 TRP 56 -22.003 48.276 21.198 402 HH2 TRP 56 HH2 TRP 56 -22.616 49.672 19.291 403 H GLY 57 H GLY 57 -15.854 50.197 25.143 404 HA2 GLY 57 HA2 GLY 57 -15.219 49.099 27.056 405 HA3 GLY 57 HA3 GLY 57 -16.065 47.696 26.421 406 H SER 58 H SER 58 -13.431 49.198 24.694 407 HA SER 58 HA SER 58 -11.762 46.850 25.317 408 HB2 SER 58 HB2 SER 58 -10.739 47.729 22.959 409 HB3 SER 58 HB3 SER 58 -11.990 46.492 23.085 410 HG SER 58 HG SER 58 -13.393 47.835 22.269 411 H LYS 59 H LYS 59 -10.067 47.341 26.524 412 HA LYS 59 HA LYS 59 -8.925 50.046 26.342 413 HB2 LYS 59 HB2 LYS 59 -8.911 47.999 28.557 414 HB3 LYS 59 HB3 LYS 59 -7.864 49.413 28.571 415 HG2 LYS 59 HG2 LYS 59 -9.563 50.318 29.727 416 HG3 LYS 59 HG3 LYS 59 -10.233 50.599 28.118 417 HD2 LYS 59 HD2 LYS 59 -11.170 48.144 28.495 418 HD3 LYS 59 HD3 LYS 59 -11.014 48.615 30.189 419 HE2 LYS 59 HE2 LYS 59 -12.302 50.708 29.586 420 HE3 LYS 59 HE3 LYS 59 -12.643 49.943 28.035 421 HZ1 LYS 59 HZ1 LYS 59 -14.456 49.539 29.515 422 HZ2 LYS 59 HZ2 LYS 59 -13.426 48.944 30.718 423 HZ3 LYS 59 HZ3 LYS 59 -13.639 48.076 29.282 424 H CYS 60 H CYS 60 -7.005 50.288 25.418 425 HA CYS 60 HA CYS 60 -5.572 48.291 24.170 426 HB2 CYS 60 HB2 CYS 60 -4.548 50.923 25.253 427 HB3 CYS 60 HB3 CYS 60 -3.683 49.906 24.105 428 H CYS 61 H CYS 61 -3.958 46.913 24.710 429 HA CYS 61 HA CYS 61 -3.675 45.969 27.284 430 HB2 CYS 61 HB2 CYS 61 -1.576 45.846 25.108 431 HB3 CYS 61 HB3 CYS 61 -1.702 44.771 26.496 432 H HIS 62 H HIS 62 -1.734 45.966 28.675 433 HA HIS 62 HA HIS 62 -1.083 48.488 29.602 434 HB2 HIS 62 HB2 HIS 62 -0.787 46.455 30.937 435 HB3 HIS 62 HB3 HIS 62 0.528 45.942 29.884 436 HD1 HIS 62 HD1 HIS 62 2.628 46.195 31.154 437 HD2 HIS 62 HD2 HIS 62 0.047 49.386 31.797 438 HE1 HIS 62 HE1 HIS 62 3.886 47.788 32.639 439 H GLY 63 H GLY 63 -0.059 50.061 28.555 440 HA2 GLY 63 HA2 GLY 63 2.104 50.915 27.863 441 HA3 GLY 63 HA3 GLY 63 2.407 49.365 27.091 442 H LEU 64 H LEU 64 -0.452 49.409 26.087 443 HA LEU 64 HA LEU 64 0.119 51.023 23.714 444 HB2 LEU 64 HB2 LEU 64 -1.683 48.698 24.271 445 HB3 LEU 64 HB3 LEU 64 -1.941 49.715 22.855 446 HG LEU 64 HG LEU 64 0.691 48.364 23.383 447 HD11 LEU 64 HD11 LEU 64 0.034 46.425 22.375 448 HD12 LEU 64 HD12 LEU 64 -1.277 47.198 21.486 449 HD13 LEU 64 HD13 LEU 64 -1.462 46.852 23.205 450 HD21 LEU 64 HD21 LEU 64 0.511 50.259 21.750 451 HD22 LEU 64 HD22 LEU 64 -0.584 49.252 20.803 452 HD23 LEU 64 HD23 LEU 64 1.083 48.737 21.066 453 H ASP 65 H ASP 65 -1.512 52.354 22.766 454 HA ASP 65 HA ASP 65 -3.893 52.981 24.265 455 HB2 ASP 65 HB2 ASP 65 -1.878 54.273 25.295 456 HB3 ASP 65 HB3 ASP 65 -2.004 55.278 23.854 457 H CYS 66 H CYS 66 -5.343 54.351 23.120 458 HA CYS 66 HA CYS 66 -4.657 54.671 20.271 459 HB2 CYS 66 HB2 CYS 66 -7.184 54.449 19.923 460 HB3 CYS 66 HB3 CYS 66 -6.303 52.984 20.344 461 HA PRO 67 HA PRO 67 -5.544 58.959 20.592 462 HB2 PRO 67 HB2 PRO 67 -6.496 59.472 18.102 463 HB3 PRO 67 HB3 PRO 67 -4.790 59.148 18.430 464 HG2 PRO 67 HG2 PRO 67 -6.903 57.299 17.393 465 HG3 PRO 67 HG3 PRO 67 -5.223 57.489 16.859 466 HD2 PRO 67 HD2 PRO 67 -6.016 55.475 18.486 467 HD3 PRO 67 HD3 PRO 67 -4.398 56.199 18.582 468 H LEU 68 H LEU 68 -7.297 60.586 20.303 469 HA LEU 68 HA LEU 68 -9.864 59.394 21.037 470 HB2 LEU 68 HB2 LEU 68 -8.846 62.224 21.234 471 HB3 LEU 68 HB3 LEU 68 -10.452 61.700 21.737 472 HG LEU 68 HG LEU 68 -7.990 60.479 22.938 473 HD11 LEU 68 HD11 LEU 68 -8.443 63.183 23.042 474 HD12 LEU 68 HD12 LEU 68 -7.530 62.244 24.223 475 HD13 LEU 68 HD13 LEU 68 -9.235 62.596 24.505 476 HD21 LEU 68 HD21 LEU 68 -10.552 59.764 23.165 477 HD22 LEU 68 HD22 LEU 68 -10.494 60.993 24.429 478 HD23 LEU 68 HD23 LEU 68 -9.397 59.613 24.489 479 H ALA 69 H ALA 69 -11.060 58.926 19.292 480 HA ALA 69 HA ALA 69 -12.081 61.049 17.679 481 HB1 ALA 69 HB1 ALA 69 -11.322 60.155 15.500 482 HB2 ALA 69 HB2 ALA 69 -10.003 60.781 16.490 483 HB3 ALA 69 HB3 ALA 69 -10.259 59.041 16.361 484 H PHE 70 H PHE 70 -13.227 59.803 15.622 485 HA PHE 70 HA PHE 70 -15.383 58.439 16.730 486 HB2 PHE 70 HB2 PHE 70 -14.346 58.754 13.938 487 HB3 PHE 70 HB3 PHE 70 -15.680 57.647 14.245 488 HD1 PHE 70 HD1 PHE 70 -14.636 61.157 14.932 489 HD2 PHE 70 HD2 PHE 70 -17.834 58.452 14.175 490 HE1 PHE 70 HE1 PHE 70 -16.211 63.045 14.862 491 HE2 PHE 70 HE2 PHE 70 -19.415 60.337 14.103 492 HZ PHE 70 HZ PHE 70 -18.604 62.636 14.447 493 H ILE 71 H ILE 71 -12.999 56.981 14.513 494 HA ILE 71 HA ILE 71 -13.389 54.430 15.935 495 HB ILE 71 HB ILE 71 -12.344 54.714 13.124 496 HG12 ILE 71 HG12 ILE 71 -14.590 55.677 13.195 497 HG13 ILE 71 HG13 ILE 71 -14.612 54.132 12.353 498 HG21 ILE 71 HG21 ILE 71 -12.797 52.385 12.931 499 HG22 ILE 71 HG22 ILE 71 -11.907 52.621 14.434 500 HG23 ILE 71 HG23 ILE 71 -13.651 52.361 14.474 501 HD11 ILE 71 HD11 ILE 71 -16.156 54.966 14.574 502 HD12 ILE 71 HD12 ILE 71 -16.202 53.428 13.711 503 HD13 ILE 71 HD13 ILE 71 -15.123 53.633 15.091 504 HA PRO 72 HA PRO 72 -9.040 55.689 16.834 505 HB2 PRO 72 HB2 PRO 72 -9.064 54.739 19.377 506 HB3 PRO 72 HB3 PRO 72 -9.641 56.354 18.950 507 HG2 PRO 72 HG2 PRO 72 -11.208 53.850 19.433 508 HG3 PRO 72 HG3 PRO 72 -11.545 55.503 19.979 509 HD2 PRO 72 HD2 PRO 72 -12.792 54.390 17.849 510 HD3 PRO 72 HD3 PRO 72 -12.437 56.126 17.947 511 H TYR 73 H TYR 73 -7.202 54.337 17.416 512 HA TYR 73 HA TYR 73 -7.653 51.455 17.373 513 HB2 TYR 73 HB2 TYR 73 -5.786 52.793 15.407 514 HB3 TYR 73 HB3 TYR 73 -6.130 51.071 15.533 515 HD1 TYR 73 HD1 TYR 73 -8.696 50.452 15.274 516 HD2 TYR 73 HD2 TYR 73 -6.899 54.014 13.795 517 HE1 TYR 73 HE1 TYR 73 -10.528 50.695 13.651 518 HE2 TYR 73 HE2 TYR 73 -8.726 54.268 12.168 519 HH TYR 73 HH TYR 73 -10.501 53.258 11.220 520 H CYS 74 H CYS 74 -6.308 50.417 18.703 521 HA CYS 74 HA CYS 74 -4.544 51.785 20.393 522 HB2 CYS 74 HB2 CYS 74 -4.869 48.852 19.765 523 HB3 CYS 74 HB3 CYS 74 -3.725 49.438 20.969 524 H GLU 75 H GLU 75 -2.408 52.213 20.326 525 HA GLU 75 HA GLU 75 -0.740 50.953 18.292 526 HB2 GLU 75 HB2 GLU 75 0.077 53.045 17.409 527 HB3 GLU 75 HB3 GLU 75 -1.673 53.003 17.251 528 HG2 GLU 75 HG2 GLU 75 -1.966 54.511 19.048 529 HG3 GLU 75 HG3 GLU 75 -0.275 54.372 19.528 530 H LYS 76 H LYS 76 1.536 51.225 18.662 531 HA LYS 76 HA LYS 76 2.350 50.879 21.274 532 HB2 LYS 76 HB2 LYS 76 4.014 51.999 19.011 533 HB3 LYS 76 HB3 LYS 76 4.634 51.249 20.475 534 HG2 LYS 76 HG2 LYS 76 2.805 49.745 18.647 535 HG3 LYS 76 HG3 LYS 76 4.533 49.866 18.307 536 HD2 LYS 76 HD2 LYS 76 4.800 49.092 20.778 537 HD3 LYS 76 HD3 LYS 76 3.137 48.530 20.592 538 HE2 LYS 76 HE2 LYS 76 3.829 47.218 18.625 539 HE3 LYS 76 HE3 LYS 76 5.492 47.747 18.876 540 HZ1 LYS 76 HZ1 LYS 76 5.585 46.594 20.931 541 HZ2 LYS 76 HZ2 LYS 76 4.957 45.512 19.793 542 HZ3 LYS 76 HZ3 LYS 76 3.927 46.258 20.908 543 H TYR 77 H TYR 77 2.367 52.212 22.949 544 HA TYR 77 HA TYR 77 2.288 55.088 22.522 545 HB2 TYR 77 HB2 TYR 77 0.861 53.668 24.210 546 HB3 TYR 77 HB3 TYR 77 2.282 53.826 25.237 547 HD1 TYR 77 HD1 TYR 77 1.921 55.404 26.877 548 HD2 TYR 77 HD2 TYR 77 0.492 56.179 22.945 549 HE1 TYR 77 HE1 TYR 77 1.154 57.626 27.600 550 HE2 TYR 77 HE2 TYR 77 -0.278 58.404 23.657 551 HH TYR 77 HH TYR 77 0.713 59.910 26.374 552 H ARG 78 H ARG 78 3.931 56.450 22.881 553 HA ARG 78 HA ARG 78 6.563 55.515 23.166 554 HB2 ARG 78 HB2 ARG 78 5.333 58.253 23.410 555 HB3 ARG 78 HB3 ARG 78 7.058 57.989 23.625 556 HG2 ARG 78 HG2 ARG 78 7.407 57.521 21.415 557 HG3 ARG 78 HG3 ARG 78 5.760 56.940 21.166 558 HD2 ARG 78 HD2 ARG 78 4.921 59.041 20.841 559 HD3 ARG 78 HD3 ARG 78 6.137 59.802 21.865 560 HE ARG 78 HE ARG 78 7.481 60.055 20.027 561 HH11 ARG 78 HH11 ARG 78 4.932 57.802 19.286 562 HH12 ARG 78 HH12 ARG 78 5.311 57.728 17.597 563 HH21 ARG 78 HH21 ARG 78 7.989 59.967 17.805 564 HH22 ARG 78 HH22 ARG 78 7.050 58.959 16.755 Start of MODEL 13 1 H1 GLY 1 H GLY 1 2.144 6.261 -5.206 2 HA2 GLY 1 HA2 GLY 1 3.077 8.317 -7.017 3 HA3 GLY 1 HA3 GLY 1 1.844 8.854 -5.886 4 H ASP 2 H ASP 2 3.756 10.306 -5.366 5 HA ASP 2 HA ASP 2 5.429 9.002 -3.319 6 HB2 ASP 2 HB2 ASP 2 6.079 11.257 -5.212 7 HB3 ASP 2 HB3 ASP 2 7.027 10.948 -3.760 8 H CYS 3 H CYS 3 3.944 9.395 -1.658 9 HA CYS 3 HA CYS 3 4.214 11.900 -0.360 10 HB2 CYS 3 HB2 CYS 3 1.920 12.681 -0.437 11 HB3 CYS 3 HB3 CYS 3 2.539 12.537 -2.079 12 H ALA 4 H ALA 4 2.901 11.986 1.671 13 HA ALA 4 HA ALA 4 2.636 9.271 2.754 14 HB1 ALA 4 HB1 ALA 4 4.215 10.545 3.981 15 HB2 ALA 4 HB2 ALA 4 3.122 11.926 4.085 16 HB3 ALA 4 HB3 ALA 4 2.762 10.447 4.977 17 H LYS 5 H LYS 5 0.732 8.494 3.426 18 HA LYS 5 HA LYS 5 -1.687 9.720 2.760 19 HB2 LYS 5 HB2 LYS 5 -0.955 7.219 3.533 20 HB3 LYS 5 HB3 LYS 5 -1.781 7.779 4.981 21 HG2 LYS 5 HG2 LYS 5 -3.260 8.373 2.551 22 HG3 LYS 5 HG3 LYS 5 -2.959 6.647 2.769 23 HD2 LYS 5 HD2 LYS 5 -3.710 7.326 5.271 24 HD3 LYS 5 HD3 LYS 5 -4.642 8.498 4.335 25 HE2 LYS 5 HE2 LYS 5 -5.822 6.836 3.206 26 HE3 LYS 5 HE3 LYS 5 -4.628 5.597 3.586 27 HZ1 LYS 5 HZ1 LYS 5 -6.920 5.805 4.869 28 HZ2 LYS 5 HZ2 LYS 5 -5.998 6.840 5.838 29 HZ3 LYS 5 HZ3 LYS 5 -5.514 5.234 5.618 30 H GLU 6 H GLU 6 -3.488 10.128 4.382 31 HA GLU 6 HA GLU 6 -2.714 12.270 6.072 32 HB2 GLU 6 HB2 GLU 6 -4.886 12.282 5.009 33 HB3 GLU 6 HB3 GLU 6 -5.332 10.784 5.814 34 HG2 GLU 6 HG2 GLU 6 -5.156 11.970 7.989 35 HG3 GLU 6 HG3 GLU 6 -4.882 13.466 7.099 36 H GLY 7 H GLY 7 -1.981 12.218 8.088 37 HA2 GLY 7 HA2 GLY 7 -2.205 11.555 10.381 38 HA3 GLY 7 HA3 GLY 7 -2.789 9.991 9.833 39 H GLU 8 H GLU 8 -0.640 9.807 7.798 40 HA GLU 8 HA GLU 8 1.284 8.482 9.427 41 HB2 GLU 8 HB2 GLU 8 1.064 9.051 6.486 42 HB3 GLU 8 HB3 GLU 8 2.527 8.341 7.156 43 HG2 GLU 8 HG2 GLU 8 -0.229 7.173 7.461 44 HG3 GLU 8 HG3 GLU 8 0.940 6.685 6.235 45 H VAL 9 H VAL 9 3.621 8.901 9.345 46 HA VAL 9 HA VAL 9 4.183 11.622 10.009 47 HB VAL 9 HB VAL 9 6.184 9.401 9.587 48 HG11 VAL 9 HG11 VAL 9 6.265 12.012 11.084 49 HG12 VAL 9 HG12 VAL 9 7.458 10.730 11.302 50 HG13 VAL 9 HG13 VAL 9 7.275 11.507 9.729 51 HG21 VAL 9 HG21 VAL 9 4.426 10.047 11.929 52 HG22 VAL 9 HG22 VAL 9 4.712 8.489 11.155 53 HG23 VAL 9 HG23 VAL 9 5.973 9.228 12.141 54 H CYS 10 H CYS 10 5.626 13.049 8.984 55 HA CYS 10 HA CYS 10 6.148 12.452 6.145 56 HB2 CYS 10 HB2 CYS 10 5.667 14.736 5.572 57 HB3 CYS 10 HB3 CYS 10 4.309 14.115 6.505 58 H SER 11 H SER 11 8.101 13.094 5.295 59 HA SER 11 HA SER 11 10.018 14.324 7.160 60 HB2 SER 11 HB2 SER 11 11.772 12.820 6.253 61 HB3 SER 11 HB3 SER 11 10.490 11.934 7.079 62 HG SER 11 HG SER 11 10.763 10.864 5.201 63 H TRP 12 H TRP 12 12.181 14.650 5.657 64 HA TRP 12 HA TRP 12 11.605 16.852 4.048 65 HB2 TRP 12 HB2 TRP 12 13.837 16.147 5.131 66 HB3 TRP 12 HB3 TRP 12 14.080 15.178 3.681 67 HD1 TRP 12 HD1 TRP 12 14.152 18.756 4.933 68 HE1 TRP 12 HE1 TRP 12 15.079 20.280 3.077 69 HE3 TRP 12 HE3 TRP 12 14.189 15.405 1.072 70 HZ2 TRP 12 HZ2 TRP 12 15.738 20.087 0.339 71 HZ3 TRP 12 HZ3 TRP 12 14.981 16.155 -1.133 72 HH2 TRP 12 HH2 TRP 12 15.739 18.448 -1.490 73 H GLY 13 H GLY 13 12.079 13.459 3.201 74 HA2 GLY 13 HA2 GLY 13 11.739 14.063 0.363 75 HA3 GLY 13 HA3 GLY 13 12.153 12.499 1.050 76 H LYS 14 H LYS 14 9.921 12.829 3.044 77 HA LYS 14 HA LYS 14 7.775 11.951 1.242 78 HB2 LYS 14 HB2 LYS 14 8.780 10.569 3.268 79 HB3 LYS 14 HB3 LYS 14 7.645 11.540 4.195 80 HG2 LYS 14 HG2 LYS 14 6.420 9.646 3.722 81 HG3 LYS 14 HG3 LYS 14 5.910 10.755 2.446 82 HD2 LYS 14 HD2 LYS 14 6.315 8.755 1.314 83 HD3 LYS 14 HD3 LYS 14 7.790 9.689 1.053 84 HE2 LYS 14 HE2 LYS 14 8.586 7.582 1.631 85 HE3 LYS 14 HE3 LYS 14 8.668 8.475 3.148 86 HZ1 LYS 14 HZ1 LYS 14 7.198 6.132 2.537 87 HZ2 LYS 14 HZ2 LYS 14 6.150 7.351 3.062 88 HZ3 LYS 14 HZ3 LYS 14 7.447 6.873 4.037 89 H LYS 15 H LYS 15 6.471 13.597 0.738 90 HA LYS 15 HA LYS 15 5.696 15.480 2.861 91 HB2 LYS 15 HB2 LYS 15 5.997 15.724 -0.095 92 HB3 LYS 15 HB3 LYS 15 4.777 16.715 0.694 93 HG2 LYS 15 HG2 LYS 15 6.846 17.942 0.463 94 HG3 LYS 15 HG3 LYS 15 6.498 17.646 2.169 95 HD2 LYS 15 HD2 LYS 15 8.854 17.263 1.699 96 HD3 LYS 15 HD3 LYS 15 8.060 15.751 2.146 97 HE2 LYS 15 HE2 LYS 15 9.583 15.469 0.240 98 HE3 LYS 15 HE3 LYS 15 7.912 15.108 -0.187 99 HZ1 LYS 15 HZ1 LYS 15 7.796 16.857 -1.580 100 HZ2 LYS 15 HZ2 LYS 15 9.476 16.679 -1.638 101 HZ3 LYS 15 HZ3 LYS 15 8.784 17.846 -0.628 102 H CYS 16 H CYS 16 3.535 15.941 3.251 103 HA CYS 16 HA CYS 16 1.710 13.854 3.062 104 HB2 CYS 16 HB2 CYS 16 1.167 16.811 3.409 105 HB3 CYS 16 HB3 CYS 16 0.000 15.529 3.717 106 H CYS 17 H CYS 17 0.203 13.239 1.613 107 HA CYS 17 HA CYS 17 0.411 13.871 -1.067 108 HB2 CYS 17 HB2 CYS 17 -2.063 12.886 0.371 109 HB3 CYS 17 HB3 CYS 17 -1.753 12.757 -1.357 110 H ASP 18 H ASP 18 -1.587 15.356 1.414 111 HA ASP 18 HA ASP 18 -2.488 17.339 -0.571 112 HB2 ASP 18 HB2 ASP 18 -4.192 15.828 0.713 113 HB3 ASP 18 HB3 ASP 18 -3.877 16.925 2.055 114 H LEU 19 H LEU 19 -1.088 18.992 -0.416 115 HA LEU 19 HA LEU 19 0.018 19.809 2.121 116 HB2 LEU 19 HB2 LEU 19 0.234 21.162 -0.563 117 HB3 LEU 19 HB3 LEU 19 1.246 21.451 0.851 118 HG LEU 19 HG LEU 19 1.177 18.939 -0.819 119 HD11 LEU 19 HD11 LEU 19 2.292 20.846 -1.888 120 HD12 LEU 19 HD12 LEU 19 3.429 19.568 -1.460 121 HD13 LEU 19 HD13 LEU 19 3.326 21.024 -0.470 122 HD21 LEU 19 HD21 LEU 19 1.562 18.472 1.563 123 HD22 LEU 19 HD22 LEU 19 2.899 19.622 1.562 124 HD23 LEU 19 HD23 LEU 19 2.995 18.158 0.584 125 H ASP 20 H ASP 20 -2.419 20.954 -0.139 126 HA ASP 20 HA ASP 20 -2.844 23.497 0.977 127 HB2 ASP 20 HB2 ASP 20 -4.620 21.648 -0.610 128 HB3 ASP 20 HB3 ASP 20 -5.163 23.237 -0.077 129 H ASN 21 H ASN 21 -4.116 20.325 1.801 130 HA ASN 21 HA ASN 21 -5.790 21.493 3.897 131 HB2 ASN 21 HB2 ASN 21 -5.628 18.759 2.650 132 HB3 ASN 21 HB3 ASN 21 -6.480 19.016 4.170 133 HD21 ASN 21 HD21 ASN 21 -6.265 20.314 0.881 134 HD22 ASN 21 HD22 ASN 21 -7.953 20.644 0.716 135 H PHE 22 H PHE 22 -3.416 18.848 3.579 136 HA PHE 22 HA PHE 22 -2.882 19.020 6.447 137 HB2 PHE 22 HB2 PHE 22 -1.719 17.033 4.495 138 HB3 PHE 22 HB3 PHE 22 -1.803 16.899 6.249 139 HD1 PHE 22 HD1 PHE 22 -2.947 15.268 3.655 140 HD2 PHE 22 HD2 PHE 22 -4.569 17.614 6.815 141 HE1 PHE 22 HE1 PHE 22 -5.079 14.057 3.456 142 HE2 PHE 22 HE2 PHE 22 -6.703 16.406 6.621 143 HZ PHE 22 HZ PHE 22 -6.961 14.625 4.939 144 H TYR 23 H TYR 23 -0.595 18.892 7.165 145 HA TYR 23 HA TYR 23 1.459 19.804 5.380 146 HB2 TYR 23 HB2 TYR 23 1.893 21.939 6.508 147 HB3 TYR 23 HB3 TYR 23 0.289 21.922 5.783 148 HD1 TYR 23 HD1 TYR 23 2.123 22.657 8.696 149 HD2 TYR 23 HD2 TYR 23 -1.655 21.193 7.398 150 HE1 TYR 23 HE1 TYR 23 1.144 23.279 10.865 151 HE2 TYR 23 HE2 TYR 23 -2.645 21.811 9.563 152 HH TYR 23 HH TYR 23 -1.543 22.134 12.065 153 H CYS 24 H CYS 24 3.460 20.490 6.803 154 HA CYS 24 HA CYS 24 3.688 18.462 8.923 155 HB2 CYS 24 HB2 CYS 24 5.808 19.692 7.151 156 HB3 CYS 24 HB3 CYS 24 6.143 18.579 8.473 157 HA PRO 25 HA PRO 25 3.863 22.401 11.257 158 HB2 PRO 25 HB2 PRO 25 2.787 21.347 13.516 159 HB3 PRO 25 HB3 PRO 25 1.806 21.930 12.166 160 HG2 PRO 25 HG2 PRO 25 2.607 19.129 12.855 161 HG3 PRO 25 HG3 PRO 25 1.033 19.742 12.314 162 HD2 PRO 25 HD2 PRO 25 2.765 18.501 10.643 163 HD3 PRO 25 HD3 PRO 25 1.671 19.789 10.099 164 H MET 26 H MET 26 4.960 22.912 13.299 165 HA MET 26 HA MET 26 7.343 21.291 13.607 166 HB2 MET 26 HB2 MET 26 6.663 23.822 15.099 167 HB3 MET 26 HB3 MET 26 8.254 23.123 14.830 168 HG2 MET 26 HG2 MET 26 7.593 23.480 12.301 169 HG3 MET 26 HG3 MET 26 6.538 24.705 13.001 170 HE1 MET 26 HE1 MET 26 9.827 23.104 13.335 171 HE2 MET 26 HE2 MET 26 10.827 24.251 12.443 172 HE3 MET 26 HE3 MET 26 10.793 24.296 14.206 173 H GLU 27 H GLU 27 7.112 19.537 14.856 174 HA GLU 27 HA GLU 27 6.558 19.859 17.645 175 HB2 GLU 27 HB2 GLU 27 4.655 18.313 17.759 176 HB3 GLU 27 HB3 GLU 27 4.261 19.751 16.828 177 HG2 GLU 27 HG2 GLU 27 4.942 18.288 14.789 178 HG3 GLU 27 HG3 GLU 27 4.666 16.947 15.899 179 H PHE 28 H PHE 28 6.460 17.554 18.697 180 HA PHE 28 HA PHE 28 8.885 16.304 18.289 181 HB2 PHE 28 HB2 PHE 28 6.326 15.315 19.534 182 HB3 PHE 28 HB3 PHE 28 7.784 14.328 19.503 183 HD1 PHE 28 HD1 PHE 28 6.000 16.894 21.206 184 HD2 PHE 28 HD2 PHE 28 9.895 15.308 20.549 185 HE1 PHE 28 HE1 PHE 28 6.798 18.019 23.243 186 HE2 PHE 28 HE2 PHE 28 10.699 16.431 22.586 187 HZ PHE 28 HZ PHE 28 9.150 17.788 23.936 188 H ILE 29 H ILE 29 5.696 15.077 17.263 189 HA ILE 29 HA ILE 29 7.070 13.606 15.110 190 HB ILE 29 HB ILE 29 4.555 12.680 16.494 191 HG12 ILE 29 HG12 ILE 29 6.358 10.844 17.234 192 HG13 ILE 29 HG13 ILE 29 7.429 12.236 17.121 193 HG21 ILE 29 HG21 ILE 29 6.439 11.194 14.671 194 HG22 ILE 29 HG22 ILE 29 4.901 10.619 15.313 195 HG23 ILE 29 HG23 ILE 29 4.930 11.945 14.150 196 HD11 ILE 29 HD11 ILE 29 5.483 13.338 18.559 197 HD12 ILE 29 HD12 ILE 29 5.264 11.656 19.041 198 HD13 ILE 29 HD13 ILE 29 6.821 12.447 19.283 199 HA PRO 30 HA PRO 30 4.296 16.376 12.854 200 HB2 PRO 30 HB2 PRO 30 5.595 16.089 10.487 201 HB3 PRO 30 HB3 PRO 30 6.149 17.182 11.760 202 HG2 PRO 30 HG2 PRO 30 7.107 14.429 11.079 203 HG3 PRO 30 HG3 PRO 30 8.051 15.871 11.496 204 HD2 PRO 30 HD2 PRO 30 7.535 13.901 13.280 205 HD3 PRO 30 HD3 PRO 30 7.696 15.603 13.757 206 H HIS 31 H HIS 31 2.379 15.613 12.242 207 HA HIS 31 HA HIS 31 2.282 13.100 10.708 208 HB2 HIS 31 HB2 HIS 31 0.114 14.302 12.442 209 HB3 HIS 31 HB3 HIS 31 0.040 12.754 11.605 210 HD1 HIS 31 HD1 HIS 31 0.411 13.906 14.853 211 HD2 HIS 31 HD2 HIS 31 2.569 11.183 12.575 212 HE1 HIS 31 HE1 HIS 31 1.637 12.466 16.510 213 H CYS 32 H CYS 32 0.295 12.946 9.277 214 HA CYS 32 HA CYS 32 0.083 15.441 7.753 215 HB2 CYS 32 HB2 CYS 32 -0.314 12.545 7.042 216 HB3 CYS 32 HB3 CYS 32 -0.931 13.829 6.008 217 H LYS 33 H LYS 33 -1.403 16.007 9.687 218 HA LYS 33 HA LYS 33 -4.147 15.123 9.078 219 HB2 LYS 33 HB2 LYS 33 -2.987 14.823 11.446 220 HB3 LYS 33 HB3 LYS 33 -3.488 16.498 11.642 221 HG2 LYS 33 HG2 LYS 33 -5.198 15.165 12.572 222 HG3 LYS 33 HG3 LYS 33 -5.813 15.764 11.030 223 HD2 LYS 33 HD2 LYS 33 -6.407 13.489 11.086 224 HD3 LYS 33 HD3 LYS 33 -4.993 13.567 10.033 225 HE2 LYS 33 HE2 LYS 33 -3.617 12.564 11.587 226 HE3 LYS 33 HE3 LYS 33 -4.617 13.063 12.950 227 HZ1 LYS 33 HZ1 LYS 33 -6.285 11.448 12.260 228 HZ2 LYS 33 HZ2 LYS 33 -4.801 10.695 12.562 229 HZ3 LYS 33 HZ3 LYS 33 -5.306 10.959 10.969 230 H LYS 34 H LYS 34 -5.842 16.754 9.351 231 HA LYS 34 HA LYS 34 -5.166 19.171 7.997 232 HB2 LYS 34 HB2 LYS 34 -7.557 19.725 8.266 233 HB3 LYS 34 HB3 LYS 34 -7.316 18.109 7.617 234 HG2 LYS 34 HG2 LYS 34 -8.105 17.083 9.496 235 HG3 LYS 34 HG3 LYS 34 -7.628 18.411 10.556 236 HD2 LYS 34 HD2 LYS 34 -10.047 18.308 10.376 237 HD3 LYS 34 HD3 LYS 34 -9.443 19.784 9.619 238 HE2 LYS 34 HE2 LYS 34 -9.979 19.085 7.510 239 HE3 LYS 34 HE3 LYS 34 -9.782 17.379 7.908 240 HZ1 LYS 34 HZ1 LYS 34 -12.044 19.081 8.805 241 HZ2 LYS 34 HZ2 LYS 34 -11.865 17.424 9.091 242 HZ3 LYS 34 HZ3 LYS 34 -12.105 17.989 7.515 243 H TYR 35 H TYR 35 -5.703 21.340 8.787 244 HA TYR 35 HA TYR 35 -4.351 22.032 11.091 245 HB2 TYR 35 HB2 TYR 35 -6.401 23.424 9.414 246 HB3 TYR 35 HB3 TYR 35 -5.896 24.160 10.931 247 HD1 TYR 35 HD1 TYR 35 -4.838 23.200 7.553 248 HD2 TYR 35 HD2 TYR 35 -3.662 25.055 11.198 249 HE1 TYR 35 HE1 TYR 35 -2.862 24.140 6.430 250 HE2 TYR 35 HE2 TYR 35 -1.684 26.001 10.085 251 HH TYR 35 HH TYR 35 -0.272 25.136 7.795 252 H LYS 36 H LYS 36 -5.125 22.937 13.110 253 HA LYS 36 HA LYS 36 -7.394 21.405 14.146 254 HB2 LYS 36 HB2 LYS 36 -5.007 22.717 15.394 255 HB3 LYS 36 HB3 LYS 36 -6.427 22.382 16.376 256 HG2 LYS 36 HG2 LYS 36 -5.008 20.287 14.752 257 HG3 LYS 36 HG3 LYS 36 -4.635 20.635 16.441 258 HD2 LYS 36 HD2 LYS 36 -7.448 20.043 15.609 259 HD3 LYS 36 HD3 LYS 36 -6.301 18.726 15.865 260 HE2 LYS 36 HE2 LYS 36 -5.911 19.459 18.135 261 HE3 LYS 36 HE3 LYS 36 -6.940 20.869 17.889 262 HZ1 LYS 36 HZ1 LYS 36 -8.493 18.707 17.207 263 HZ2 LYS 36 HZ2 LYS 36 -8.606 19.626 18.622 264 HZ3 LYS 36 HZ3 LYS 36 -7.672 18.217 18.602 265 HA PRO 37 HA PRO 37 -10.067 24.852 14.625 266 HB2 PRO 37 HB2 PRO 37 -11.254 24.330 17.010 267 HB3 PRO 37 HB3 PRO 37 -11.602 23.409 15.542 268 HG2 PRO 37 HG2 PRO 37 -9.789 22.724 17.824 269 HG3 PRO 37 HG3 PRO 37 -10.934 21.686 16.953 270 HD2 PRO 37 HD2 PRO 37 -8.272 21.656 16.458 271 HD3 PRO 37 HD3 PRO 37 -9.482 21.345 15.196 272 H TYR 38 H TYR 38 -10.606 26.718 15.995 273 HA TYR 38 HA TYR 38 -8.396 28.110 16.885 274 HB2 TYR 38 HB2 TYR 38 -9.955 29.696 17.886 275 HB3 TYR 38 HB3 TYR 38 -10.557 29.157 16.322 276 HD1 TYR 38 HD1 TYR 38 -11.158 29.244 19.900 277 HD2 TYR 38 HD2 TYR 38 -12.460 27.574 16.210 278 HE1 TYR 38 HE1 TYR 38 -13.286 28.598 20.950 279 HE2 TYR 38 HE2 TYR 38 -14.592 26.924 17.250 280 HH TYR 38 HH TYR 38 -15.112 27.156 20.675 281 H VAL 39 H VAL 39 -7.571 28.645 18.923 282 HA VAL 39 HA VAL 39 -8.095 26.620 20.987 283 HB VAL 39 HB VAL 39 -5.714 28.456 20.687 284 HG11 VAL 39 HG11 VAL 39 -6.226 27.816 23.017 285 HG12 VAL 39 HG12 VAL 39 -6.120 26.118 22.549 286 HG13 VAL 39 HG13 VAL 39 -4.695 27.153 22.447 287 HG21 VAL 39 HG21 VAL 39 -6.126 25.559 19.983 288 HG22 VAL 39 HG22 VAL 39 -5.642 26.877 18.916 289 HG23 VAL 39 HG23 VAL 39 -4.532 26.293 20.156 290 HA PRO 40 HA PRO 40 -10.062 29.712 23.464 291 HB2 PRO 40 HB2 PRO 40 -10.066 28.333 25.803 292 HB3 PRO 40 HB3 PRO 40 -11.169 27.968 24.471 293 HG2 PRO 40 HG2 PRO 40 -8.611 26.615 25.238 294 HG3 PRO 40 HG3 PRO 40 -10.151 25.894 24.735 295 HD2 PRO 40 HD2 PRO 40 -8.050 26.165 23.048 296 HD3 PRO 40 HD3 PRO 40 -9.735 26.258 22.497 297 H VAL 41 H VAL 41 -9.643 31.023 25.363 298 HA VAL 41 HA VAL 41 -7.089 32.056 25.521 299 HB VAL 41 HB VAL 41 -9.110 32.094 27.765 300 HG11 VAL 41 HG11 VAL 41 -6.704 33.759 27.103 301 HG12 VAL 41 HG12 VAL 41 -8.007 34.380 28.119 302 HG13 VAL 41 HG13 VAL 41 -7.106 32.947 28.615 303 HG21 VAL 41 HG21 VAL 41 -10.399 32.989 26.120 304 HG22 VAL 41 HG22 VAL 41 -9.497 34.439 26.558 305 HG23 VAL 41 HG23 VAL 41 -9.012 33.491 25.153 306 H THR 42 H THR 42 -5.249 31.418 26.427 307 HA THR 42 HA THR 42 -5.342 29.200 28.359 308 HB THR 42 HB THR 42 -2.799 29.101 27.684 309 HG1 THR 42 HG1 THR 42 -2.565 29.718 25.459 310 HG21 THR 42 HG21 THR 42 -4.881 28.145 25.722 311 HG22 THR 42 HG22 THR 42 -4.586 27.379 27.283 312 HG23 THR 42 HG23 THR 42 -3.311 27.420 26.066 313 H THR 43 H THR 43 -3.616 29.183 30.010 314 HA THR 43 HA THR 43 -3.659 31.414 31.632 315 HB THR 43 HB THR 43 -3.002 29.203 32.454 316 HG1 THR 43 HG1 THR 43 -2.169 31.363 33.353 317 HG21 THR 43 HG21 THR 43 -0.294 29.634 31.218 318 HG22 THR 43 HG22 THR 43 -1.560 28.717 30.400 319 HG23 THR 43 HG23 THR 43 -0.944 28.173 31.960 320 H SER 44 H SER 44 -1.426 30.604 29.053 321 HA SER 44 HA SER 44 0.540 32.551 29.655 322 HB2 SER 44 HB2 SER 44 -0.167 31.099 27.102 323 HB3 SER 44 HB3 SER 44 1.189 32.221 27.220 324 HG SER 44 HG SER 44 2.290 30.688 28.118 325 H PHE 45 H PHE 45 1.056 34.395 28.163 326 HA PHE 45 HA PHE 45 -1.375 35.970 27.758 327 HB2 PHE 45 HB2 PHE 45 1.523 36.653 28.133 328 HB3 PHE 45 HB3 PHE 45 0.428 37.826 27.409 329 HD1 PHE 45 HD1 PHE 45 1.870 36.825 30.386 330 HD2 PHE 45 HD2 PHE 45 -1.873 38.063 28.782 331 HE1 PHE 45 HE1 PHE 45 1.143 37.523 32.630 332 HE2 PHE 45 HE2 PHE 45 -2.605 38.764 31.024 333 HZ PHE 45 HZ PHE 45 -1.097 38.493 32.952 334 H ASN 46 H ASN 46 -1.481 37.406 25.855 335 HA ASN 46 HA ASN 46 0.083 36.766 23.537 336 HB2 ASN 46 HB2 ASN 46 -1.763 35.893 22.172 337 HB3 ASN 46 HB3 ASN 46 -1.437 34.840 23.545 338 HD21 ASN 46 HD21 ASN 46 -3.587 37.311 22.295 339 HD22 ASN 46 HD22 ASN 46 -4.950 36.883 23.267 340 H CYS 47 H CYS 47 -0.247 38.213 21.822 341 HA CYS 47 HA CYS 47 -1.099 40.791 22.548 342 HB2 CYS 47 HB2 CYS 47 -0.822 41.314 20.116 343 HB3 CYS 47 HB3 CYS 47 0.575 40.525 20.842 344 H ALA 48 H ALA 48 -2.776 42.081 21.475 345 HA ALA 48 HA ALA 48 -5.301 40.712 21.545 346 HB1 ALA 48 HB1 ALA 48 -5.349 42.849 22.493 347 HB2 ALA 48 HB2 ALA 48 -4.497 43.572 21.128 348 HB3 ALA 48 HB3 ALA 48 -6.169 43.041 20.943 349 H LYS 49 H LYS 49 -5.951 39.535 19.867 350 HA LYS 49 HA LYS 49 -5.043 39.986 17.196 351 HB2 LYS 49 HB2 LYS 49 -7.394 38.271 17.971 352 HB3 LYS 49 HB3 LYS 49 -6.311 38.078 16.599 353 HG2 LYS 49 HG2 LYS 49 -5.201 36.593 17.812 354 HG3 LYS 49 HG3 LYS 49 -4.647 37.936 18.816 355 HD2 LYS 49 HD2 LYS 49 -5.596 36.667 20.446 356 HD3 LYS 49 HD3 LYS 49 -7.036 37.550 19.936 357 HE2 LYS 49 HE2 LYS 49 -7.657 35.269 20.058 358 HE3 LYS 49 HE3 LYS 49 -7.494 35.649 18.344 359 HZ1 LYS 49 HZ1 LYS 49 -6.189 33.654 19.799 360 HZ2 LYS 49 HZ2 LYS 49 -5.014 34.766 19.304 361 HZ3 LYS 49 HZ3 LYS 49 -6.017 34.030 18.158 362 H GLU 50 H GLU 50 -6.652 40.143 15.358 363 HA GLU 50 HA GLU 50 -7.941 42.582 15.380 364 HB2 GLU 50 HB2 GLU 50 -7.325 41.273 13.348 365 HB3 GLU 50 HB3 GLU 50 -8.694 40.214 13.660 366 HG2 GLU 50 HG2 GLU 50 -9.096 43.161 13.376 367 HG3 GLU 50 HG3 GLU 50 -8.934 42.134 11.953 368 H GLY 51 H GLY 51 -9.810 43.321 16.161 369 HA2 GLY 51 HA2 GLY 51 -12.172 43.129 16.521 370 HA3 GLY 51 HA3 GLY 51 -11.960 41.398 16.741 371 H GLU 52 H GLU 52 -9.619 41.783 18.494 372 HA GLU 52 HA GLU 52 -10.950 41.787 20.968 373 HB2 GLU 52 HB2 GLU 52 -8.008 42.213 20.415 374 HB3 GLU 52 HB3 GLU 52 -8.707 41.778 21.968 375 HG2 GLU 52 HG2 GLU 52 -8.870 40.094 19.480 376 HG3 GLU 52 HG3 GLU 52 -7.698 39.872 20.778 377 H VAL 53 H VAL 53 -10.751 43.266 22.741 378 HA VAL 53 HA VAL 53 -10.853 46.039 21.859 379 HB VAL 53 HB VAL 53 -11.397 44.952 24.622 380 HG11 VAL 53 HG11 VAL 53 -11.998 47.567 23.260 381 HG12 VAL 53 HG12 VAL 53 -12.786 47.055 24.754 382 HG13 VAL 53 HG13 VAL 53 -11.038 47.292 24.714 383 HG21 VAL 53 HG21 VAL 53 -12.918 43.835 23.184 384 HG22 VAL 53 HG22 VAL 53 -13.812 45.160 23.928 385 HG23 VAL 53 HG23 VAL 53 -13.238 45.306 22.267 386 H CYS 54 H CYS 54 -9.638 47.713 22.796 387 HA CYS 54 HA CYS 54 -7.166 46.820 24.129 388 HB2 CYS 54 HB2 CYS 54 -7.476 49.272 22.390 389 HB3 CYS 54 HB3 CYS 54 -5.979 48.599 23.028 390 H GLY 55 H GLY 55 -6.343 48.056 25.823 391 HA2 GLY 55 HA2 GLY 55 -6.884 50.488 26.776 392 HA3 GLY 55 HA3 GLY 55 -8.352 49.632 27.221 393 H TRP 56 H TRP 56 -6.999 47.109 27.723 394 HA TRP 56 HA TRP 56 -6.014 47.740 30.391 395 HB2 TRP 56 HB2 TRP 56 -6.671 45.074 29.119 396 HB3 TRP 56 HB3 TRP 56 -6.234 45.321 30.807 397 HD1 TRP 56 HD1 TRP 56 -9.105 45.954 28.340 398 HE1 TRP 56 HE1 TRP 56 -11.257 46.384 29.685 399 HE3 TRP 56 HE3 TRP 56 -7.103 46.114 33.041 400 HZ2 TRP 56 HZ2 TRP 56 -12.006 46.745 32.383 401 HZ3 TRP 56 HZ3 TRP 56 -8.606 46.507 34.950 402 HH2 TRP 56 HH2 TRP 56 -11.006 46.816 34.625 403 H GLY 57 H GLY 57 -4.215 48.545 28.500 404 HA2 GLY 57 HA2 GLY 57 -1.971 48.418 28.028 405 HA3 GLY 57 HA3 GLY 57 -1.858 47.220 29.309 406 H SER 58 H SER 58 -3.890 46.864 26.472 407 HA SER 58 HA SER 58 -2.204 44.596 25.649 408 HB2 SER 58 HB2 SER 58 -5.131 45.038 25.724 409 HB3 SER 58 HB3 SER 58 -4.520 44.177 24.311 410 HG SER 58 HG SER 58 -4.018 43.483 27.019 411 H LYS 59 H LYS 59 -0.985 44.954 23.930 412 HA LYS 59 HA LYS 59 -1.780 47.012 22.003 413 HB2 LYS 59 HB2 LYS 59 0.863 45.566 22.096 414 HB3 LYS 59 HB3 LYS 59 0.493 47.097 21.314 415 HG2 LYS 59 HG2 LYS 59 0.463 46.642 24.290 416 HG3 LYS 59 HG3 LYS 59 1.805 47.347 23.386 417 HD2 LYS 59 HD2 LYS 59 -0.899 48.543 23.056 418 HD3 LYS 59 HD3 LYS 59 -0.026 48.855 24.558 419 HE2 LYS 59 HE2 LYS 59 1.218 49.271 21.853 420 HE3 LYS 59 HE3 LYS 59 0.288 50.529 22.666 421 HZ1 LYS 59 HZ1 LYS 59 2.931 49.484 23.281 422 HZ2 LYS 59 HZ2 LYS 59 1.949 49.841 24.610 423 HZ3 LYS 59 HZ3 LYS 59 2.311 51.045 23.479 424 H CYS 60 H CYS 60 -2.397 46.544 19.982 425 HA CYS 60 HA CYS 60 -3.180 44.000 19.207 426 HB2 CYS 60 HB2 CYS 60 -2.479 46.378 17.474 427 HB3 CYS 60 HB3 CYS 60 -3.329 44.945 16.907 428 H CYS 61 H CYS 61 -2.362 42.548 17.616 429 HA CYS 61 HA CYS 61 0.408 42.011 17.886 430 HB2 CYS 61 HB2 CYS 61 -1.442 40.846 15.802 431 HB3 CYS 61 HB3 CYS 61 0.022 40.124 16.463 432 H HIS 62 H HIS 62 1.838 41.623 15.945 433 HA HIS 62 HA HIS 62 2.440 43.991 14.662 434 HB2 HIS 62 HB2 HIS 62 3.719 42.504 13.026 435 HB3 HIS 62 HB3 HIS 62 4.127 42.336 14.731 436 HD1 HIS 62 HD1 HIS 62 3.992 40.039 15.691 437 HD2 HIS 62 HD2 HIS 62 1.997 40.349 12.059 438 HE1 HIS 62 HE1 HIS 62 3.308 37.693 15.097 439 H GLY 63 H GLY 63 1.652 45.064 12.964 440 HA2 GLY 63 HA2 GLY 63 0.752 45.252 10.782 441 HA3 GLY 63 HA3 GLY 63 0.123 43.618 10.928 442 H LEU 64 H LEU 64 -0.916 44.352 13.676 443 HA LEU 64 HA LEU 64 -3.396 45.584 12.714 444 HB2 LEU 64 HB2 LEU 64 -2.825 44.002 15.215 445 HB3 LEU 64 HB3 LEU 64 -4.396 44.667 14.774 446 HG LEU 64 HG LEU 64 -2.984 42.706 12.994 447 HD11 LEU 64 HD11 LEU 64 -4.321 42.212 15.579 448 HD12 LEU 64 HD12 LEU 64 -3.081 41.279 14.742 449 HD13 LEU 64 HD13 LEU 64 -4.768 41.149 14.244 450 HD21 LEU 64 HD21 LEU 64 -5.692 43.892 13.235 451 HD22 LEU 64 HD22 LEU 64 -5.578 42.215 12.702 452 HD23 LEU 64 HD23 LEU 64 -4.754 43.486 11.797 453 H ASP 65 H ASP 65 -4.530 47.080 14.156 454 HA ASP 65 HA ASP 65 -2.956 48.436 16.176 455 HB2 ASP 65 HB2 ASP 65 -2.433 49.406 13.814 456 HB3 ASP 65 HB3 ASP 65 -4.025 50.146 13.952 457 H CYS 66 H CYS 66 -4.204 50.038 17.365 458 HA CYS 66 HA CYS 66 -7.099 49.516 17.190 459 HB2 CYS 66 HB2 CYS 66 -5.297 49.208 19.368 460 HB3 CYS 66 HB3 CYS 66 -6.377 50.544 19.757 461 HA PRO 67 HA PRO 67 -7.501 53.837 16.314 462 HB2 PRO 67 HB2 PRO 67 -10.197 53.985 16.597 463 HB3 PRO 67 HB3 PRO 67 -9.418 53.262 15.185 464 HG2 PRO 67 HG2 PRO 67 -10.592 51.925 17.592 465 HG3 PRO 67 HG3 PRO 67 -10.731 51.475 15.882 466 HD2 PRO 67 HD2 PRO 67 -9.016 50.245 17.579 467 HD3 PRO 67 HD3 PRO 67 -8.662 50.459 15.852 468 H LEU 68 H LEU 68 -8.408 55.794 17.336 469 HA LEU 68 HA LEU 68 -8.188 55.605 20.247 470 HB2 LEU 68 HB2 LEU 68 -7.799 57.773 18.242 471 HB3 LEU 68 HB3 LEU 68 -8.212 58.213 19.897 472 HG LEU 68 HG LEU 68 -5.817 58.337 19.554 473 HD11 LEU 68 HD11 LEU 68 -7.085 57.066 21.623 474 HD12 LEU 68 HD12 LEU 68 -5.392 57.558 21.603 475 HD13 LEU 68 HD13 LEU 68 -5.835 55.908 21.168 476 HD21 LEU 68 HD21 LEU 68 -6.030 55.426 18.795 477 HD22 LEU 68 HD22 LEU 68 -4.520 56.291 19.082 478 HD23 LEU 68 HD23 LEU 68 -5.565 56.761 17.740 479 H ALA 69 H ALA 69 -10.196 54.970 20.933 480 HA ALA 69 HA ALA 69 -12.232 57.003 20.967 481 HB1 ALA 69 HB1 ALA 69 -12.771 56.004 18.839 482 HB2 ALA 69 HB2 ALA 69 -12.780 54.394 19.560 483 HB3 ALA 69 HB3 ALA 69 -14.009 55.572 20.020 484 H PHE 70 H PHE 70 -14.357 55.766 21.949 485 HA PHE 70 HA PHE 70 -13.756 55.227 24.591 486 HB2 PHE 70 HB2 PHE 70 -16.154 54.227 23.040 487 HB3 PHE 70 HB3 PHE 70 -16.042 54.363 24.792 488 HD1 PHE 70 HD1 PHE 70 -17.052 55.961 21.817 489 HD2 PHE 70 HD2 PHE 70 -15.527 56.739 25.714 490 HE1 PHE 70 HE1 PHE 70 -17.898 58.267 21.684 491 HE2 PHE 70 HE2 PHE 70 -16.372 59.046 25.588 492 HZ PHE 70 HZ PHE 70 -17.560 59.813 23.571 493 H ILE 71 H ILE 71 -14.885 52.775 22.256 494 HA ILE 71 HA ILE 71 -13.142 50.823 23.607 495 HB ILE 71 HB ILE 71 -15.909 50.245 22.544 496 HG12 ILE 71 HG12 ILE 71 -15.987 49.696 25.214 497 HG13 ILE 71 HG13 ILE 71 -14.919 51.096 25.189 498 HG21 ILE 71 HG21 ILE 71 -13.710 48.555 23.039 499 HG22 ILE 71 HG22 ILE 71 -14.873 48.274 24.333 500 HG23 ILE 71 HG23 ILE 71 -15.367 48.096 22.650 501 HD11 ILE 71 HD11 ILE 71 -17.094 51.695 23.506 502 HD12 ILE 71 HD12 ILE 71 -17.754 50.997 24.985 503 HD13 ILE 71 HD13 ILE 71 -16.692 52.403 25.070 504 HA PRO 72 HA PRO 72 -12.108 50.883 19.118 505 HB2 PRO 72 HB2 PRO 72 -9.449 50.505 19.512 506 HB3 PRO 72 HB3 PRO 72 -10.210 52.100 19.559 507 HG2 PRO 72 HG2 PRO 72 -9.428 50.306 21.825 508 HG3 PRO 72 HG3 PRO 72 -9.221 52.060 21.664 509 HD2 PRO 72 HD2 PRO 72 -11.220 50.956 23.119 510 HD3 PRO 72 HD3 PRO 72 -11.404 52.498 22.259 511 H TYR 73 H TYR 73 -10.925 49.213 17.838 512 HA TYR 73 HA TYR 73 -10.683 46.616 19.153 513 HB2 TYR 73 HB2 TYR 73 -12.355 46.974 16.662 514 HB3 TYR 73 HB3 TYR 73 -12.119 45.492 17.581 515 HD1 TYR 73 HD1 TYR 73 -12.895 45.591 20.086 516 HD2 TYR 73 HD2 TYR 73 -14.248 48.249 17.052 517 HE1 TYR 73 HE1 TYR 73 -14.888 46.104 21.433 518 HE2 TYR 73 HE2 TYR 73 -16.244 48.771 18.391 519 HH TYR 73 HH TYR 73 -16.911 47.091 21.427 520 H CYS 74 H CYS 74 -8.997 45.484 18.417 521 HA CYS 74 HA CYS 74 -7.074 46.535 16.741 522 HB2 CYS 74 HB2 CYS 74 -7.687 43.698 17.544 523 HB3 CYS 74 HB3 CYS 74 -6.319 44.085 16.506 524 H GLU 75 H GLU 75 -6.665 46.525 14.595 525 HA GLU 75 HA GLU 75 -8.108 44.794 12.791 526 HB2 GLU 75 HB2 GLU 75 -9.105 46.599 11.472 527 HB3 GLU 75 HB3 GLU 75 -9.736 46.591 13.113 528 HG2 GLU 75 HG2 GLU 75 -8.169 48.410 13.686 529 HG3 GLU 75 HG3 GLU 75 -7.652 48.454 12.001 530 H LYS 76 H LYS 76 -7.161 44.647 10.758 531 HA LYS 76 HA LYS 76 -4.436 45.005 10.553 532 HB2 LYS 76 HB2 LYS 76 -6.457 44.912 8.306 533 HB3 LYS 76 HB3 LYS 76 -4.725 44.669 8.119 534 HG2 LYS 76 HG2 LYS 76 -6.312 42.949 9.981 535 HG3 LYS 76 HG3 LYS 76 -6.272 42.615 8.248 536 HD2 LYS 76 HD2 LYS 76 -3.751 42.991 9.836 537 HD3 LYS 76 HD3 LYS 76 -4.559 41.424 9.743 538 HE2 LYS 76 HE2 LYS 76 -3.769 43.015 7.313 539 HE3 LYS 76 HE3 LYS 76 -2.708 41.827 8.068 540 HZ1 LYS 76 HZ1 LYS 76 -3.739 40.268 6.910 541 HZ2 LYS 76 HZ2 LYS 76 -4.818 41.395 6.258 542 HZ3 LYS 76 HZ3 LYS 76 -5.187 40.616 7.713 543 H TYR 77 H TYR 77 -3.224 46.767 10.451 544 HA TYR 77 HA TYR 77 -4.162 49.367 10.234 545 HB2 TYR 77 HB2 TYR 77 -1.947 48.769 11.139 546 HB3 TYR 77 HB3 TYR 77 -1.403 48.350 9.518 547 HD1 TYR 77 HD1 TYR 77 -0.162 49.930 8.392 548 HD2 TYR 77 HD2 TYR 77 -2.994 51.240 11.284 549 HE1 TYR 77 HE1 TYR 77 0.547 52.256 8.024 550 HE2 TYR 77 HE2 TYR 77 -2.294 53.570 10.924 551 HH TYR 77 HH TYR 77 0.207 54.387 8.536 552 H ARG 78 H ARG 78 -4.683 50.683 8.599 553 HA ARG 78 HA ARG 78 -5.212 49.746 6.040 554 HB2 ARG 78 HB2 ARG 78 -4.874 52.505 7.176 555 HB3 ARG 78 HB3 ARG 78 -5.161 52.278 5.456 556 HG2 ARG 78 HG2 ARG 78 -6.973 51.021 7.474 557 HG3 ARG 78 HG3 ARG 78 -7.162 52.716 7.020 558 HD2 ARG 78 HD2 ARG 78 -7.110 51.811 4.592 559 HD3 ARG 78 HD3 ARG 78 -7.480 50.258 5.341 560 HE ARG 78 HE ARG 78 -9.351 51.877 6.400 561 HH11 ARG 78 HH11 ARG 78 -8.306 51.309 3.128 562 HH12 ARG 78 HH12 ARG 78 -9.858 51.644 2.436 563 HH21 ARG 78 HH21 ARG 78 -11.399 52.321 5.500 564 HH22 ARG 78 HH22 ARG 78 -11.617 52.221 3.786 Start of MODEL 14 1 H1 GLY 1 H GLY 1 9.777 11.224 -0.257 2 HA2 GLY 1 HA2 GLY 1 9.126 9.226 -1.181 3 HA3 GLY 1 HA3 GLY 1 8.900 8.685 0.476 4 H ASP 2 H ASP 2 7.248 10.895 -1.787 5 HA ASP 2 HA ASP 2 5.055 11.129 -2.345 6 HB2 ASP 2 HB2 ASP 2 4.620 8.289 -1.437 7 HB3 ASP 2 HB3 ASP 2 3.781 9.171 -2.711 8 H CYS 3 H CYS 3 5.809 11.955 0.231 9 HA CYS 3 HA CYS 3 3.261 12.198 1.460 10 HB2 CYS 3 HB2 CYS 3 3.710 11.057 3.563 11 HB3 CYS 3 HB3 CYS 3 3.826 9.916 2.227 12 H ALA 4 H ALA 4 3.253 13.702 3.199 13 HA ALA 4 HA ALA 4 5.459 15.570 3.070 14 HB1 ALA 4 HB1 ALA 4 3.435 16.685 3.040 15 HB2 ALA 4 HB2 ALA 4 2.716 15.628 4.255 16 HB3 ALA 4 HB3 ALA 4 3.914 16.831 4.731 17 H LYS 5 H LYS 5 7.119 15.583 4.425 18 HA LYS 5 HA LYS 5 7.451 13.775 6.528 19 HB2 LYS 5 HB2 LYS 5 8.861 16.307 5.743 20 HB3 LYS 5 HB3 LYS 5 9.308 15.460 7.218 21 HG2 LYS 5 HG2 LYS 5 9.174 13.947 4.655 22 HG3 LYS 5 HG3 LYS 5 10.562 14.988 4.981 23 HD2 LYS 5 HD2 LYS 5 9.625 12.985 7.006 24 HD3 LYS 5 HD3 LYS 5 10.683 12.505 5.676 25 HE2 LYS 5 HE2 LYS 5 12.419 13.900 6.410 26 HE3 LYS 5 HE3 LYS 5 11.346 14.830 7.455 27 HZ1 LYS 5 HZ1 LYS 5 12.024 13.517 9.092 28 HZ2 LYS 5 HZ2 LYS 5 12.814 12.461 8.034 29 HZ3 LYS 5 HZ3 LYS 5 11.169 12.250 8.367 30 H GLU 6 H GLU 6 7.986 14.481 8.830 31 HA GLU 6 HA GLU 6 5.669 15.436 10.068 32 HB2 GLU 6 HB2 GLU 6 7.158 14.031 11.302 33 HB3 GLU 6 HB3 GLU 6 8.495 15.152 11.085 34 HG2 GLU 6 HG2 GLU 6 7.623 16.677 12.618 35 HG3 GLU 6 HG3 GLU 6 6.018 15.951 12.563 36 H GLY 7 H GLY 7 4.876 17.425 10.147 37 HA2 GLY 7 HA2 GLY 7 4.948 19.700 10.777 38 HA3 GLY 7 HA3 GLY 7 6.693 19.677 10.570 39 H GLU 8 H GLU 8 6.445 18.360 7.924 40 HA GLU 8 HA GLU 8 6.464 20.669 6.322 41 HB2 GLU 8 HB2 GLU 8 6.383 17.728 5.716 42 HB3 GLU 8 HB3 GLU 8 6.278 18.912 4.420 43 HG2 GLU 8 HG2 GLU 8 8.536 18.566 6.376 44 HG3 GLU 8 HG3 GLU 8 8.550 18.192 4.654 45 H VAL 9 H VAL 9 4.998 21.506 4.859 46 HA VAL 9 HA VAL 9 2.273 21.366 5.543 47 HB VAL 9 HB VAL 9 3.392 22.356 2.920 48 HG11 VAL 9 HG11 VAL 9 0.997 22.178 2.890 49 HG12 VAL 9 HG12 VAL 9 0.873 22.998 4.448 50 HG13 VAL 9 HG13 VAL 9 1.433 23.881 3.028 51 HG21 VAL 9 HG21 VAL 9 4.515 23.884 4.084 52 HG22 VAL 9 HG22 VAL 9 2.961 24.531 4.611 53 HG23 VAL 9 HG23 VAL 9 3.802 23.339 5.602 54 H CYS 10 H CYS 10 0.515 20.415 4.541 55 HA CYS 10 HA CYS 10 1.147 18.326 2.560 56 HB2 CYS 10 HB2 CYS 10 -0.730 17.016 3.561 57 HB3 CYS 10 HB3 CYS 10 0.628 17.256 4.656 58 H SER 11 H SER 11 -0.130 18.175 0.786 59 HA SER 11 HA SER 11 -2.402 20.044 0.609 60 HB2 SER 11 HB2 SER 11 -1.867 20.332 -1.777 61 HB3 SER 11 HB3 SER 11 -0.513 20.816 -0.758 62 HG SER 11 HG SER 11 -0.250 19.285 -2.713 63 H TRP 12 H TRP 12 -3.538 19.328 -1.710 64 HA TRP 12 HA TRP 12 -5.046 17.075 -1.071 65 HB2 TRP 12 HB2 TRP 12 -5.702 18.903 -2.664 66 HB3 TRP 12 HB3 TRP 12 -4.622 18.180 -3.853 67 HD1 TRP 12 HD1 TRP 12 -8.034 17.738 -2.254 68 HE1 TRP 12 HE1 TRP 12 -9.307 15.872 -3.489 69 HE3 TRP 12 HE3 TRP 12 -4.232 15.954 -5.169 70 HZ2 TRP 12 HZ2 TRP 12 -8.769 13.904 -5.439 71 HZ3 TRP 12 HZ3 TRP 12 -4.694 14.077 -6.692 72 HH2 TRP 12 HH2 TRP 12 -6.916 13.074 -6.822 73 H GLY 13 H GLY 13 -2.152 17.402 -3.053 74 HA2 GLY 13 HA2 GLY 13 -2.242 14.562 -3.749 75 HA3 GLY 13 HA3 GLY 13 -1.116 15.752 -4.386 76 H LYS 14 H LYS 14 -0.610 16.721 -1.582 77 HA LYS 14 HA LYS 14 1.322 14.623 -0.881 78 HB2 LYS 14 HB2 LYS 14 1.435 17.514 -0.983 79 HB3 LYS 14 HB3 LYS 14 1.903 16.924 0.607 80 HG2 LYS 14 HG2 LYS 14 3.101 15.514 -1.683 81 HG3 LYS 14 HG3 LYS 14 3.603 17.191 -1.456 82 HD2 LYS 14 HD2 LYS 14 3.748 16.261 1.087 83 HD3 LYS 14 HD3 LYS 14 4.162 14.807 0.175 84 HE2 LYS 14 HE2 LYS 14 5.472 17.481 -0.276 85 HE3 LYS 14 HE3 LYS 14 6.104 16.268 0.836 86 HZ1 LYS 14 HZ1 LYS 14 5.519 15.310 -1.834 87 HZ2 LYS 14 HZ2 LYS 14 6.852 15.002 -0.840 88 HZ3 LYS 14 HZ3 LYS 14 6.782 16.432 -1.740 89 H LYS 15 H LYS 15 0.494 13.289 0.603 90 HA LYS 15 HA LYS 15 -1.034 14.443 2.836 91 HB2 LYS 15 HB2 LYS 15 -1.027 11.725 1.556 92 HB3 LYS 15 HB3 LYS 15 -1.629 11.940 3.194 93 HG2 LYS 15 HG2 LYS 15 -3.564 12.142 1.998 94 HG3 LYS 15 HG3 LYS 15 -3.064 13.833 2.091 95 HD2 LYS 15 HD2 LYS 15 -3.604 13.575 -0.153 96 HD3 LYS 15 HD3 LYS 15 -1.853 13.351 -0.144 97 HE2 LYS 15 HE2 LYS 15 -2.187 10.915 -0.098 98 HE3 LYS 15 HE3 LYS 15 -3.931 11.163 -0.154 99 HZ1 LYS 15 HZ1 LYS 15 -2.925 12.613 -2.258 100 HZ2 LYS 15 HZ2 LYS 15 -3.738 11.133 -2.350 101 HZ3 LYS 15 HZ3 LYS 15 -2.048 11.167 -2.284 102 H CYS 16 H CYS 16 -0.505 13.952 4.959 103 HA CYS 16 HA CYS 16 2.194 13.709 5.597 104 HB2 CYS 16 HB2 CYS 16 -0.190 13.071 7.348 105 HB3 CYS 16 HB3 CYS 16 1.447 13.384 7.916 106 H CYS 17 H CYS 17 3.543 12.043 5.869 107 HA CYS 17 HA CYS 17 3.022 9.500 4.931 108 HB2 CYS 17 HB2 CYS 17 5.210 10.847 6.118 109 HB3 CYS 17 HB3 CYS 17 5.006 9.337 6.999 110 H ASP 18 H ASP 18 2.772 10.735 8.229 111 HA ASP 18 HA ASP 18 1.585 8.167 9.047 112 HB2 ASP 18 HB2 ASP 18 3.343 10.107 10.414 113 HB3 ASP 18 HB3 ASP 18 2.035 9.453 11.396 114 H LEU 19 H LEU 19 -0.545 8.436 8.573 115 HA LEU 19 HA LEU 19 -1.947 10.878 9.120 116 HB2 LEU 19 HB2 LEU 19 -3.083 8.159 8.493 117 HB3 LEU 19 HB3 LEU 19 -3.914 9.708 8.364 118 HG LEU 19 HG LEU 19 -1.611 8.778 6.649 119 HD11 LEU 19 HD11 LEU 19 -3.246 7.675 5.594 120 HD12 LEU 19 HD12 LEU 19 -3.734 9.266 5.011 121 HD13 LEU 19 HD13 LEU 19 -4.520 8.567 6.427 122 HD21 LEU 19 HD21 LEU 19 -1.694 11.239 7.123 123 HD22 LEU 19 HD22 LEU 19 -3.282 11.266 6.355 124 HD23 LEU 19 HD23 LEU 19 -1.859 10.802 5.422 125 H ASP 20 H ASP 20 -1.549 7.774 10.710 126 HA ASP 20 HA ASP 20 -3.596 7.979 12.608 127 HB2 ASP 20 HB2 ASP 20 -0.908 6.673 13.051 128 HB3 ASP 20 HB3 ASP 20 -2.430 6.280 13.846 129 H ASN 21 H ASN 21 -0.343 9.303 12.554 130 HA ASN 21 HA ASN 21 -0.703 10.428 15.230 131 HB2 ASN 21 HB2 ASN 21 1.639 9.964 13.438 132 HB3 ASN 21 HB3 ASN 21 1.738 11.271 14.615 133 HD21 ASN 21 HD21 ASN 21 1.092 7.825 14.270 134 HD22 ASN 21 HD22 ASN 21 1.651 7.379 15.842 135 H PHE 22 H PHE 22 0.430 11.598 12.053 136 HA PHE 22 HA PHE 22 -0.401 14.300 12.784 137 HB2 PHE 22 HB2 PHE 22 1.004 13.449 10.252 138 HB3 PHE 22 HB3 PHE 22 0.911 15.066 10.942 139 HD1 PHE 22 HD1 PHE 22 2.555 11.819 11.094 140 HD2 PHE 22 HD2 PHE 22 2.274 15.683 12.857 141 HE1 PHE 22 HE1 PHE 22 4.676 11.429 12.279 142 HE2 PHE 22 HE2 PHE 22 4.395 15.299 14.044 143 HZ PHE 22 HZ PHE 22 5.599 13.170 13.756 144 H TYR 23 H TYR 23 -1.540 15.616 11.141 145 HA TYR 23 HA TYR 23 -3.053 14.310 9.094 146 HB2 TYR 23 HB2 TYR 23 -5.260 14.572 10.035 147 HB3 TYR 23 HB3 TYR 23 -4.289 13.613 11.147 148 HD1 TYR 23 HD1 TYR 23 -6.597 16.198 10.964 149 HD2 TYR 23 HD2 TYR 23 -2.996 15.129 12.961 150 HE1 TYR 23 HE1 TYR 23 -7.148 17.761 12.781 151 HE2 TYR 23 HE2 TYR 23 -3.537 16.688 14.784 152 HH TYR 23 HH TYR 23 -4.914 18.736 15.108 153 H CYS 24 H CYS 24 -4.616 15.837 8.057 154 HA CYS 24 HA CYS 24 -3.565 18.580 8.230 155 HB2 CYS 24 HB2 CYS 24 -5.038 17.336 5.904 156 HB3 CYS 24 HB3 CYS 24 -4.161 18.862 5.919 157 HA PRO 25 HA PRO 25 -7.790 19.054 9.915 158 HB2 PRO 25 HB2 PRO 25 -7.158 21.209 11.441 159 HB3 PRO 25 HB3 PRO 25 -6.880 19.544 11.967 160 HG2 PRO 25 HG2 PRO 25 -4.950 21.506 10.788 161 HG3 PRO 25 HG3 PRO 25 -4.723 20.393 12.150 162 HD2 PRO 25 HD2 PRO 25 -3.781 19.867 9.667 163 HD3 PRO 25 HD3 PRO 25 -4.323 18.589 10.773 164 H MET 26 H MET 26 -9.281 20.897 9.820 165 HA MET 26 HA MET 26 -9.039 22.294 7.340 166 HB2 MET 26 HB2 MET 26 -11.185 21.435 8.419 167 HB3 MET 26 HB3 MET 26 -11.089 22.831 9.484 168 HG2 MET 26 HG2 MET 26 -11.432 24.337 7.736 169 HG3 MET 26 HG3 MET 26 -11.041 23.136 6.507 170 HE1 MET 26 HE1 MET 26 -13.535 21.209 5.637 171 HE2 MET 26 HE2 MET 26 -12.157 20.885 6.690 172 HE3 MET 26 HE3 MET 26 -13.797 20.575 7.262 173 H GLU 27 H GLU 27 -7.615 23.915 7.185 174 HA GLU 27 HA GLU 27 -8.018 26.299 8.715 175 HB2 GLU 27 HB2 GLU 27 -5.769 26.432 9.683 176 HB3 GLU 27 HB3 GLU 27 -6.660 25.057 10.320 177 HG2 GLU 27 HG2 GLU 27 -5.463 23.654 8.587 178 HG3 GLU 27 HG3 GLU 27 -4.422 25.052 8.323 179 H PHE 28 H PHE 28 -6.215 27.948 8.131 180 HA PHE 28 HA PHE 28 -6.273 28.423 5.414 181 HB2 PHE 28 HB2 PHE 28 -4.355 29.377 7.537 182 HB3 PHE 28 HB3 PHE 28 -4.287 29.958 5.877 183 HD1 PHE 28 HD1 PHE 28 -6.088 30.070 9.031 184 HD2 PHE 28 HD2 PHE 28 -6.097 31.322 4.962 185 HE1 PHE 28 HE1 PHE 28 -7.801 31.756 9.557 186 HE2 PHE 28 HE2 PHE 28 -7.810 33.010 5.482 187 HZ PHE 28 HZ PHE 28 -8.665 33.228 7.781 188 H ILE 29 H ILE 29 -3.473 27.220 7.269 189 HA ILE 29 HA ILE 29 -2.524 25.925 4.797 190 HB ILE 29 HB ILE 29 -0.722 26.996 6.965 191 HG12 ILE 29 HG12 ILE 29 -0.255 28.573 4.785 192 HG13 ILE 29 HG13 ILE 29 -1.996 28.342 4.675 193 HG21 ILE 29 HG21 ILE 29 0.098 26.424 4.155 194 HG22 ILE 29 HG22 ILE 29 1.055 26.394 5.635 195 HG23 ILE 29 HG23 ILE 29 -0.083 25.090 5.295 196 HD11 ILE 29 HD11 ILE 29 -1.843 28.967 7.250 197 HD12 ILE 29 HD12 ILE 29 -0.396 29.802 6.682 198 HD13 ILE 29 HD13 ILE 29 -1.968 30.185 5.980 199 HA PRO 30 HA PRO 30 -3.110 22.443 7.626 200 HB2 PRO 30 HB2 PRO 30 -3.096 20.572 5.659 201 HB3 PRO 30 HB3 PRO 30 -4.523 21.534 6.059 202 HG2 PRO 30 HG2 PRO 30 -2.538 21.920 3.852 203 HG3 PRO 30 HG3 PRO 30 -4.305 22.052 3.803 204 HD2 PRO 30 HD2 PRO 30 -2.686 24.217 3.955 205 HD3 PRO 30 HD3 PRO 30 -4.297 24.175 4.700 206 H HIS 31 H HIS 31 -1.408 21.723 8.728 207 HA HIS 31 HA HIS 31 1.042 21.026 7.246 208 HB2 HIS 31 HB2 HIS 31 0.879 21.821 10.156 209 HB3 HIS 31 HB3 HIS 31 2.332 21.630 9.180 210 HD1 HIS 31 HD1 HIS 31 0.252 24.176 10.494 211 HD2 HIS 31 HD2 HIS 31 2.214 23.616 6.875 212 HE1 HIS 31 HE1 HIS 31 0.422 26.462 9.462 213 H CYS 32 H CYS 32 2.447 19.486 8.742 214 HA CYS 32 HA CYS 32 0.702 17.207 9.366 215 HB2 CYS 32 HB2 CYS 32 3.590 17.389 8.521 216 HB3 CYS 32 HB3 CYS 32 2.900 15.908 9.180 217 H LYS 33 H LYS 33 0.290 18.353 11.453 218 HA LYS 33 HA LYS 33 2.456 17.854 13.387 219 HB2 LYS 33 HB2 LYS 33 1.551 20.238 13.059 220 HB3 LYS 33 HB3 LYS 33 0.100 19.665 13.872 221 HG2 LYS 33 HG2 LYS 33 1.607 18.950 15.773 222 HG3 LYS 33 HG3 LYS 33 2.885 19.871 14.977 223 HD2 LYS 33 HD2 LYS 33 0.223 20.971 15.879 224 HD3 LYS 33 HD3 LYS 33 1.763 21.189 16.713 225 HE2 LYS 33 HE2 LYS 33 2.606 22.215 14.541 226 HE3 LYS 33 HE3 LYS 33 0.918 22.261 14.034 227 HZ1 LYS 33 HZ1 LYS 33 0.481 23.535 16.128 228 HZ2 LYS 33 HZ2 LYS 33 1.412 24.352 14.976 229 HZ3 LYS 33 HZ3 LYS 33 2.155 23.665 16.332 230 H LYS 34 H LYS 34 2.090 16.555 15.111 231 HA LYS 34 HA LYS 34 0.066 14.643 15.036 232 HB2 LYS 34 HB2 LYS 34 2.353 14.808 16.380 233 HB3 LYS 34 HB3 LYS 34 1.281 15.353 17.664 234 HG2 LYS 34 HG2 LYS 34 -0.079 13.209 17.018 235 HG3 LYS 34 HG3 LYS 34 1.472 12.688 16.354 236 HD2 LYS 34 HD2 LYS 34 1.096 13.680 19.176 237 HD3 LYS 34 HD3 LYS 34 1.056 11.976 18.718 238 HE2 LYS 34 HE2 LYS 34 3.344 12.253 17.768 239 HE3 LYS 34 HE3 LYS 34 3.367 13.890 18.422 240 HZ1 LYS 34 HZ1 LYS 34 2.908 11.501 20.111 241 HZ2 LYS 34 HZ2 LYS 34 3.286 13.071 20.613 242 HZ3 LYS 34 HZ3 LYS 34 4.451 12.132 19.823 243 H TYR 35 H TYR 35 -1.681 14.255 16.545 244 HA TYR 35 HA TYR 35 -3.431 16.436 16.781 245 HB2 TYR 35 HB2 TYR 35 -3.419 13.637 17.848 246 HB3 TYR 35 HB3 TYR 35 -4.633 14.776 18.421 247 HD1 TYR 35 HD1 TYR 35 -3.492 12.761 15.607 248 HD2 TYR 35 HD2 TYR 35 -6.320 15.674 16.879 249 HE1 TYR 35 HE1 TYR 35 -4.860 12.293 13.617 250 HE2 TYR 35 HE2 TYR 35 -7.697 15.213 14.893 251 HH TYR 35 HH TYR 35 -7.991 13.144 13.297 252 H LYS 36 H LYS 36 -4.345 17.364 18.724 253 HA LYS 36 HA LYS 36 -2.312 17.690 20.824 254 HB2 LYS 36 HB2 LYS 36 -4.426 19.499 19.711 255 HB3 LYS 36 HB3 LYS 36 -3.837 19.755 21.348 256 HG2 LYS 36 HG2 LYS 36 -2.033 19.614 18.947 257 HG3 LYS 36 HG3 LYS 36 -2.715 21.118 19.572 258 HD2 LYS 36 HD2 LYS 36 -1.564 20.881 21.637 259 HD3 LYS 36 HD3 LYS 36 -1.101 19.219 21.263 260 HE2 LYS 36 HE2 LYS 36 0.810 20.626 20.939 261 HE3 LYS 36 HE3 LYS 36 0.243 20.091 19.358 262 HZ1 LYS 36 HZ1 LYS 36 -1.100 22.418 19.779 263 HZ2 LYS 36 HZ2 LYS 36 0.277 22.233 18.815 264 HZ3 LYS 36 HZ3 LYS 36 0.431 22.743 20.420 265 HA PRO 37 HA PRO 37 -4.865 15.914 23.920 266 HB2 PRO 37 HB2 PRO 37 -4.367 17.511 26.058 267 HB3 PRO 37 HB3 PRO 37 -3.185 16.362 25.422 268 HG2 PRO 37 HG2 PRO 37 -3.390 19.314 24.971 269 HG3 PRO 37 HG3 PRO 37 -1.951 18.329 25.290 270 HD2 PRO 37 HD2 PRO 37 -2.625 19.160 22.803 271 HD3 PRO 37 HD3 PRO 37 -1.798 17.618 23.103 272 H TYR 38 H TYR 38 -6.668 16.313 25.416 273 HA TYR 38 HA TYR 38 -8.722 17.793 24.259 274 HB2 TYR 38 HB2 TYR 38 -8.334 16.492 26.922 275 HB3 TYR 38 HB3 TYR 38 -9.723 17.549 26.690 276 HD1 TYR 38 HD1 TYR 38 -8.192 14.355 25.803 277 HD2 TYR 38 HD2 TYR 38 -11.502 16.943 25.126 278 HE1 TYR 38 HE1 TYR 38 -9.416 12.503 24.744 279 HE2 TYR 38 HE2 TYR 38 -12.735 15.097 24.067 280 HH TYR 38 HH TYR 38 -11.346 11.837 23.863 281 H VAL 39 H VAL 39 -9.693 19.752 24.747 282 HA VAL 39 HA VAL 39 -8.273 21.518 26.617 283 HB VAL 39 HB VAL 39 -9.133 22.313 23.832 284 HG11 VAL 39 HG11 VAL 39 -7.672 23.916 25.927 285 HG12 VAL 39 HG12 VAL 39 -8.152 24.466 24.320 286 HG13 VAL 39 HG13 VAL 39 -9.381 24.092 25.529 287 HG21 VAL 39 HG21 VAL 39 -6.554 21.432 24.984 288 HG22 VAL 39 HG22 VAL 39 -7.186 21.250 23.348 289 HG23 VAL 39 HG23 VAL 39 -6.506 22.793 23.864 290 HA PRO 40 HA PRO 40 -12.394 22.300 28.022 291 HB2 PRO 40 HB2 PRO 40 -11.822 24.423 29.614 292 HB3 PRO 40 HB3 PRO 40 -11.437 22.756 30.060 293 HG2 PRO 40 HG2 PRO 40 -9.657 24.866 28.900 294 HG3 PRO 40 HG3 PRO 40 -9.323 23.713 30.206 295 HD2 PRO 40 HD2 PRO 40 -8.444 23.339 27.672 296 HD3 PRO 40 HD3 PRO 40 -8.878 21.990 28.741 297 H VAL 41 H VAL 41 -14.080 23.717 27.627 298 HA VAL 41 HA VAL 41 -13.931 25.345 25.355 299 HB VAL 41 HB VAL 41 -16.016 25.496 27.535 300 HG11 VAL 41 HG11 VAL 41 -17.407 26.044 25.385 301 HG12 VAL 41 HG12 VAL 41 -16.471 27.305 26.190 302 HG13 VAL 41 HG13 VAL 41 -15.837 26.524 24.741 303 HG21 VAL 41 HG21 VAL 41 -15.593 23.564 25.296 304 HG22 VAL 41 HG22 VAL 41 -16.089 23.261 26.961 305 HG23 VAL 41 HG23 VAL 41 -17.232 23.958 25.815 306 H THR 42 H THR 42 -13.337 27.392 25.046 307 HA THR 42 HA THR 42 -13.043 29.133 27.407 308 HB THR 42 HB THR 42 -11.176 30.258 26.109 309 HG1 THR 42 HG1 THR 42 -10.980 29.535 24.129 310 HG21 THR 42 HG21 THR 42 -10.042 29.131 27.669 311 HG22 THR 42 HG22 THR 42 -9.801 27.866 26.464 312 HG23 THR 42 HG23 THR 42 -11.157 27.767 27.587 313 H THR 43 H THR 43 -13.305 31.410 27.034 314 HA THR 43 HA THR 43 -15.555 32.079 25.534 315 HB THR 43 HB THR 43 -13.550 34.212 26.101 316 HG1 THR 43 HG1 THR 43 -14.405 34.075 28.361 317 HG21 THR 43 HG21 THR 43 -16.424 33.936 25.783 318 HG22 THR 43 HG22 THR 43 -15.413 35.378 25.683 319 HG23 THR 43 HG23 THR 43 -16.000 34.819 27.249 320 H SER 44 H SER 44 -15.893 32.809 23.506 321 HA SER 44 HA SER 44 -13.846 32.444 21.556 322 HB2 SER 44 HB2 SER 44 -16.477 33.845 21.090 323 HB3 SER 44 HB3 SER 44 -15.511 32.928 19.934 324 HG SER 44 HG SER 44 -17.007 31.493 20.512 325 H PHE 45 H PHE 45 -12.423 33.857 20.784 326 HA PHE 45 HA PHE 45 -12.665 36.661 21.606 327 HB2 PHE 45 HB2 PHE 45 -10.335 34.942 20.794 328 HB3 PHE 45 HB3 PHE 45 -10.210 36.698 20.786 329 HD1 PHE 45 HD1 PHE 45 -10.987 33.801 22.963 330 HD2 PHE 45 HD2 PHE 45 -9.758 37.870 22.750 331 HE1 PHE 45 HE1 PHE 45 -10.476 33.769 25.370 332 HE2 PHE 45 HE2 PHE 45 -9.244 37.845 25.155 333 HZ PHE 45 HZ PHE 45 -9.602 35.793 26.469 334 H ASN 46 H ASN 46 -12.809 38.305 20.171 335 HA ASN 46 HA ASN 46 -12.556 37.687 17.312 336 HB2 ASN 46 HB2 ASN 46 -15.006 37.992 18.556 337 HB3 ASN 46 HB3 ASN 46 -14.694 39.594 17.894 338 HD21 ASN 46 HD21 ASN 46 -16.771 37.954 17.037 339 HD22 ASN 46 HD22 ASN 46 -16.473 37.495 15.398 340 H CYS 47 H CYS 47 -10.722 39.010 19.064 341 HA CYS 47 HA CYS 47 -10.655 41.635 17.752 342 HB2 CYS 47 HB2 CYS 47 -9.735 42.600 19.883 343 HB3 CYS 47 HB3 CYS 47 -11.431 42.133 19.964 344 H ALA 48 H ALA 48 -8.496 42.592 17.682 345 HA ALA 48 HA ALA 48 -6.523 40.620 17.015 346 HB1 ALA 48 HB1 ALA 48 -6.589 43.616 16.936 347 HB2 ALA 48 HB2 ALA 48 -5.102 42.722 16.622 348 HB3 ALA 48 HB3 ALA 48 -6.515 42.471 15.597 349 H LYS 49 H LYS 49 -5.365 39.623 18.524 350 HA LYS 49 HA LYS 49 -4.937 40.732 21.130 351 HB2 LYS 49 HB2 LYS 49 -3.744 38.686 21.608 352 HB3 LYS 49 HB3 LYS 49 -5.211 38.301 20.719 353 HG2 LYS 49 HG2 LYS 49 -3.962 37.973 18.693 354 HG3 LYS 49 HG3 LYS 49 -2.478 38.520 19.477 355 HD2 LYS 49 HD2 LYS 49 -3.078 36.563 21.158 356 HD3 LYS 49 HD3 LYS 49 -3.938 35.942 19.746 357 HE2 LYS 49 HE2 LYS 49 -1.859 34.989 19.474 358 HE3 LYS 49 HE3 LYS 49 -1.699 36.457 18.511 359 HZ1 LYS 49 HZ1 LYS 49 -0.883 37.353 20.862 360 HZ2 LYS 49 HZ2 LYS 49 0.168 36.663 19.731 361 HZ3 LYS 49 HZ3 LYS 49 -0.415 35.735 21.019 362 H GLU 50 H GLU 50 -2.684 40.760 22.084 363 HA GLU 50 HA GLU 50 -1.139 42.725 20.918 364 HB2 GLU 50 HB2 GLU 50 -0.946 42.111 23.273 365 HB3 GLU 50 HB3 GLU 50 -0.252 40.558 22.829 366 HG2 GLU 50 HG2 GLU 50 1.599 41.889 21.701 367 HG3 GLU 50 HG3 GLU 50 0.965 43.285 22.572 368 H GLY 51 H GLY 51 0.315 42.802 19.325 369 HA2 GLY 51 HA2 GLY 51 2.200 41.924 18.136 370 HA3 GLY 51 HA3 GLY 51 1.609 40.303 18.469 371 H GLU 52 H GLU 52 -1.154 41.027 17.727 372 HA GLU 52 HA GLU 52 -1.046 40.298 15.008 373 HB2 GLU 52 HB2 GLU 52 -3.357 41.528 16.520 374 HB3 GLU 52 HB3 GLU 52 -3.464 40.649 15.002 375 HG2 GLU 52 HG2 GLU 52 -2.476 39.455 17.580 376 HG3 GLU 52 HG3 GLU 52 -4.136 39.337 16.998 377 H VAL 53 H VAL 53 -1.783 41.490 13.156 378 HA VAL 53 HA VAL 53 -0.872 44.256 13.222 379 HB VAL 53 HB VAL 53 -1.757 42.659 10.818 380 HG11 VAL 53 HG11 VAL 53 -1.736 44.963 10.296 381 HG12 VAL 53 HG12 VAL 53 -0.226 45.225 11.171 382 HG13 VAL 53 HG13 VAL 53 -0.226 44.310 9.663 383 HG21 VAL 53 HG21 VAL 53 0.638 42.439 12.437 384 HG22 VAL 53 HG22 VAL 53 0.061 41.404 11.130 385 HG23 VAL 53 HG23 VAL 53 1.007 42.846 10.761 386 H CYS 54 H CYS 54 -2.097 46.004 12.433 387 HA CYS 54 HA CYS 54 -5.009 45.545 12.460 388 HB2 CYS 54 HB2 CYS 54 -3.583 48.094 13.237 389 HB3 CYS 54 HB3 CYS 54 -5.296 47.734 13.426 390 H GLY 55 H GLY 55 -6.283 46.575 10.937 391 HA2 GLY 55 HA2 GLY 55 -5.881 48.615 9.261 392 HA3 GLY 55 HA3 GLY 55 -4.873 47.379 8.522 393 H TRP 56 H TRP 56 -6.635 45.185 9.249 394 HA TRP 56 HA TRP 56 -8.574 45.539 7.102 395 HB2 TRP 56 HB2 TRP 56 -7.677 43.094 8.637 396 HB3 TRP 56 HB3 TRP 56 -8.910 43.067 7.380 397 HD1 TRP 56 HD1 TRP 56 -5.144 43.823 7.803 398 HE1 TRP 56 HE1 TRP 56 -3.982 43.381 5.548 399 HE3 TRP 56 HE3 TRP 56 -9.264 42.807 4.952 400 HZ2 TRP 56 HZ2 TRP 56 -4.716 42.694 2.911 401 HZ3 TRP 56 HZ3 TRP 56 -8.948 42.267 2.572 402 HH2 TRP 56 HH2 TRP 56 -6.720 42.213 1.574 403 H GLY 57 H GLY 57 -9.264 47.052 9.271 404 HA2 GLY 57 HA2 GLY 57 -11.086 47.523 10.587 405 HA3 GLY 57 HA3 GLY 57 -11.892 46.171 9.804 406 H SER 58 H SER 58 -8.907 45.882 11.622 407 HA SER 58 HA SER 58 -10.362 44.254 13.597 408 HB2 SER 58 HB2 SER 58 -7.730 43.965 12.268 409 HB3 SER 58 HB3 SER 58 -7.784 43.529 13.976 410 HG SER 58 HG SER 58 -8.284 41.763 12.587 411 H LYS 59 H LYS 59 -10.636 45.186 15.500 412 HA LYS 59 HA LYS 59 -8.789 47.297 16.349 413 HB2 LYS 59 HB2 LYS 59 -11.386 46.550 17.682 414 HB3 LYS 59 HB3 LYS 59 -10.492 48.058 17.818 415 HG2 LYS 59 HG2 LYS 59 -11.836 47.084 15.306 416 HG3 LYS 59 HG3 LYS 59 -12.529 48.246 16.440 417 HD2 LYS 59 HD2 LYS 59 -9.811 48.786 15.357 418 HD3 LYS 59 HD3 LYS 59 -11.196 49.023 14.288 419 HE2 LYS 59 HE2 LYS 59 -11.011 50.226 17.042 420 HE3 LYS 59 HE3 LYS 59 -10.443 51.051 15.591 421 HZ1 LYS 59 HZ1 LYS 59 -12.537 51.839 15.601 422 HZ2 LYS 59 HZ2 LYS 59 -13.159 50.544 16.493 423 HZ3 LYS 59 HZ3 LYS 59 -12.893 50.375 14.831 424 H CYS 60 H CYS 60 -7.479 47.098 18.073 425 HA CYS 60 HA CYS 60 -6.808 44.596 19.103 426 HB2 CYS 60 HB2 CYS 60 -6.315 47.337 20.286 427 HB3 CYS 60 HB3 CYS 60 -5.516 45.857 20.809 428 H CYS 61 H CYS 61 -7.095 43.666 21.174 429 HA CYS 61 HA CYS 61 -9.738 43.821 22.167 430 HB2 CYS 61 HB2 CYS 61 -7.359 42.591 23.566 431 HB3 CYS 61 HB3 CYS 61 -9.057 42.180 23.787 432 H HIS 62 H HIS 62 -10.154 44.081 24.593 433 HA HIS 62 HA HIS 62 -9.771 46.730 25.328 434 HB2 HIS 62 HB2 HIS 62 -11.424 44.916 26.231 435 HB3 HIS 62 HB3 HIS 62 -10.158 44.612 27.417 436 HD1 HIS 62 HD1 HIS 62 -12.180 45.459 29.050 437 HD2 HIS 62 HD2 HIS 62 -10.332 48.324 26.675 438 HE1 HIS 62 HE1 HIS 62 -12.762 47.673 30.091 439 H GLY 63 H GLY 63 -8.145 47.829 26.222 440 HA2 GLY 63 HA2 GLY 63 -6.371 48.129 27.771 441 HA3 GLY 63 HA3 GLY 63 -6.131 46.388 27.793 442 H LEU 64 H LEU 64 -6.308 46.413 24.769 443 HA LEU 64 HA LEU 64 -3.499 47.133 24.334 444 HB2 LEU 64 HB2 LEU 64 -5.352 45.364 22.746 445 HB3 LEU 64 HB3 LEU 64 -3.670 45.692 22.335 446 HG LEU 64 HG LEU 64 -4.432 44.422 24.947 447 HD11 LEU 64 HD11 LEU 64 -3.786 42.262 23.752 448 HD12 LEU 64 HD12 LEU 64 -4.102 43.139 22.255 449 HD13 LEU 64 HD13 LEU 64 -5.393 42.917 23.436 450 HD21 LEU 64 HD21 LEU 64 -2.230 44.985 25.130 451 HD22 LEU 64 HD22 LEU 64 -1.945 44.895 23.392 452 HD23 LEU 64 HD23 LEU 64 -2.061 43.415 24.345 453 H ASP 65 H ASP 65 -2.901 48.055 22.235 454 HA ASP 65 HA ASP 65 -4.980 49.443 20.763 455 HB2 ASP 65 HB2 ASP 65 -4.226 50.874 22.784 456 HB3 ASP 65 HB3 ASP 65 -2.736 51.108 21.874 457 H CYS 66 H CYS 66 -4.134 50.524 18.825 458 HA CYS 66 HA CYS 66 -1.611 49.299 17.916 459 HB2 CYS 66 HB2 CYS 66 -4.224 49.038 16.842 460 HB3 CYS 66 HB3 CYS 66 -3.290 50.006 15.705 461 HA PRO 67 HA PRO 67 -0.271 53.489 17.382 462 HB2 PRO 67 HB2 PRO 67 2.034 52.924 16.064 463 HB3 PRO 67 HB3 PRO 67 1.843 52.694 17.806 464 HG2 PRO 67 HG2 PRO 67 1.669 50.679 15.599 465 HG3 PRO 67 HG3 PRO 67 2.463 50.543 17.179 466 HD2 PRO 67 HD2 PRO 67 0.032 49.464 16.672 467 HD3 PRO 67 HD3 PRO 67 0.487 50.083 18.273 468 H LEU 68 H LEU 68 0.362 54.941 15.602 469 HA LEU 68 HA LEU 68 -1.094 54.248 13.160 470 HB2 LEU 68 HB2 LEU 68 -0.324 56.792 14.502 471 HB3 LEU 68 HB3 LEU 68 -0.585 56.801 12.759 472 HG LEU 68 HG LEU 68 -2.873 56.106 13.048 473 HD11 LEU 68 HD11 LEU 68 -2.312 56.049 16.009 474 HD12 LEU 68 HD12 LEU 68 -2.519 54.631 14.982 475 HD13 LEU 68 HD13 LEU 68 -3.863 55.745 15.226 476 HD21 LEU 68 HD21 LEU 68 -2.313 58.292 15.043 477 HD22 LEU 68 HD22 LEU 68 -3.765 58.064 14.068 478 HD23 LEU 68 HD23 LEU 68 -2.246 58.521 13.296 479 H ALA 69 H ALA 69 0.338 53.051 11.968 480 HA ALA 69 HA ALA 69 2.424 54.525 10.635 481 HB1 ALA 69 HB1 ALA 69 3.767 52.166 11.393 482 HB2 ALA 69 HB2 ALA 69 4.156 53.830 11.832 483 HB3 ALA 69 HB3 ALA 69 3.096 52.870 12.864 484 H PHE 70 H PHE 70 3.744 52.660 9.282 485 HA PHE 70 HA PHE 70 2.033 51.837 7.281 486 HB2 PHE 70 HB2 PHE 70 4.661 50.552 8.055 487 HB3 PHE 70 HB3 PHE 70 3.861 50.400 6.494 488 HD1 PHE 70 HD1 PHE 70 6.577 51.789 7.832 489 HD2 PHE 70 HD2 PHE 70 3.068 53.032 5.769 490 HE1 PHE 70 HE1 PHE 70 7.759 53.794 7.037 491 HE2 PHE 70 HE2 PHE 70 4.245 55.040 4.970 492 HZ PHE 70 HZ PHE 70 6.593 55.424 5.605 493 H ILE 71 H ILE 71 3.600 49.623 9.601 494 HA ILE 71 HA ILE 71 1.157 47.983 9.550 495 HB ILE 71 HB ILE 71 3.965 46.872 9.574 496 HG12 ILE 71 HG12 ILE 71 2.814 45.947 7.283 497 HG13 ILE 71 HG13 ILE 71 2.118 47.562 7.378 498 HG21 ILE 71 HG21 ILE 71 1.877 45.037 8.838 499 HG22 ILE 71 HG22 ILE 71 3.068 44.919 10.132 500 HG23 ILE 71 HG23 ILE 71 1.542 45.758 10.412 501 HD11 ILE 71 HD11 ILE 71 3.993 48.017 6.187 502 HD12 ILE 71 HD12 ILE 71 4.636 48.224 7.817 503 HD13 ILE 71 HD13 ILE 71 4.923 46.722 6.939 504 HA PRO 72 HA PRO 72 2.208 49.005 13.915 505 HB2 PRO 72 HB2 PRO 72 -0.379 49.248 14.700 506 HB3 PRO 72 HB3 PRO 72 0.529 50.573 13.961 507 HG2 PRO 72 HG2 PRO 72 -1.438 48.695 12.709 508 HG3 PRO 72 HG3 PRO 72 -1.271 50.447 12.494 509 HD2 PRO 72 HD2 PRO 72 -0.311 48.661 10.700 510 HD3 PRO 72 HD3 PRO 72 0.473 50.224 11.003 511 H TYR 73 H TYR 73 1.451 47.911 15.929 512 HA TYR 73 HA TYR 73 0.247 45.283 15.510 513 HB2 TYR 73 HB2 TYR 73 2.874 45.597 16.970 514 HB3 TYR 73 HB3 TYR 73 2.026 44.096 16.614 515 HD1 TYR 73 HD1 TYR 73 1.626 43.620 14.059 516 HD2 TYR 73 HD2 TYR 73 4.592 46.269 15.573 517 HE1 TYR 73 HE1 TYR 73 2.885 43.402 11.957 518 HE2 TYR 73 HE2 TYR 73 5.858 46.060 13.474 519 HH TYR 73 HH TYR 73 5.876 45.232 11.409 520 H CYS 74 H CYS 74 -1.099 44.738 17.109 521 HA CYS 74 HA CYS 74 -1.904 46.490 19.082 522 HB2 CYS 74 HB2 CYS 74 -2.150 43.497 18.852 523 HB3 CYS 74 HB3 CYS 74 -2.850 44.377 20.206 524 H GLU 75 H GLU 75 -1.311 46.948 21.130 525 HA GLU 75 HA GLU 75 0.484 45.227 22.600 526 HB2 GLU 75 HB2 GLU 75 2.218 46.931 22.919 527 HB3 GLU 75 HB3 GLU 75 2.068 46.478 21.228 528 HG2 GLU 75 HG2 GLU 75 0.625 48.511 20.921 529 HG3 GLU 75 HG3 GLU 75 1.089 48.990 22.552 530 H LYS 76 H LYS 76 0.569 45.702 24.811 531 HA LYS 76 HA LYS 76 -1.711 46.715 25.989 532 HB2 LYS 76 HB2 LYS 76 1.070 46.562 27.167 533 HB3 LYS 76 HB3 LYS 76 -0.408 46.780 28.095 534 HG2 LYS 76 HG2 LYS 76 -0.024 44.411 26.301 535 HG3 LYS 76 HG3 LYS 76 0.590 44.433 27.955 536 HD2 LYS 76 HD2 LYS 76 -1.677 44.893 28.778 537 HD3 LYS 76 HD3 LYS 76 -2.283 44.842 27.121 538 HE2 LYS 76 HE2 LYS 76 -2.742 42.720 28.048 539 HE3 LYS 76 HE3 LYS 76 -1.350 42.496 26.990 540 HZ1 LYS 76 HZ1 LYS 76 0.011 42.062 28.721 541 HZ2 LYS 76 HZ2 LYS 76 -1.430 41.581 29.465 542 HZ3 LYS 76 HZ3 LYS 76 -0.785 43.113 29.780 543 H TYR 77 H TYR 77 -2.507 48.699 26.086 544 HA TYR 77 HA TYR 77 -1.054 50.997 25.312 545 HB2 TYR 77 HB2 TYR 77 -3.598 50.583 25.236 546 HB3 TYR 77 HB3 TYR 77 -3.595 51.082 26.924 547 HD1 TYR 77 HD1 TYR 77 -4.503 53.199 27.085 548 HD2 TYR 77 HD2 TYR 77 -1.792 52.371 23.913 549 HE1 TYR 77 HE1 TYR 77 -4.605 55.556 26.391 550 HE2 TYR 77 HE2 TYR 77 -1.885 54.726 23.210 551 HH TYR 77 HH TYR 77 -4.187 56.947 24.529 552 H ARG 78 H ARG 78 0.329 52.179 26.440 553 HA ARG 78 HA ARG 78 0.233 52.030 29.381 554 HB2 ARG 78 HB2 ARG 78 2.556 52.481 27.505 555 HB3 ARG 78 HB3 ARG 78 2.658 52.728 29.243 556 HG2 ARG 78 HG2 ARG 78 1.784 50.114 28.063 557 HG3 ARG 78 HG3 ARG 78 3.484 50.509 28.322 558 HD2 ARG 78 HD2 ARG 78 3.262 50.536 30.624 559 HD3 ARG 78 HD3 ARG 78 1.524 50.828 30.553 560 HE ARG 78 HE ARG 78 1.948 48.334 29.437 561 HH11 ARG 78 HH11 ARG 78 2.448 49.885 32.514 562 HH12 ARG 78 HH12 ARG 78 2.253 48.426 33.428 563 HH21 ARG 78 HH21 ARG 78 1.689 46.407 30.629 564 HH22 ARG 78 HH22 ARG 78 1.823 46.448 32.354 Start of MODEL 15 1 H1 GLY 1 H GLY 1 5.354 11.498 -6.752 2 HA2 GLY 1 HA2 GLY 1 3.059 12.043 -6.933 3 HA3 GLY 1 HA3 GLY 1 2.848 11.611 -5.242 4 H ASP 2 H ASP 2 1.642 13.647 -5.164 5 HA ASP 2 HA ASP 2 3.463 15.898 -4.647 6 HB2 ASP 2 HB2 ASP 2 1.466 17.355 -5.447 7 HB3 ASP 2 HB3 ASP 2 2.512 16.610 -6.653 8 H CYS 3 H CYS 3 3.214 14.930 -2.455 9 HA CYS 3 HA CYS 3 1.398 16.458 -0.914 10 HB2 CYS 3 HB2 CYS 3 -0.041 14.738 -0.037 11 HB3 CYS 3 HB3 CYS 3 -0.162 14.711 -1.793 12 H ALA 4 H ALA 4 1.464 15.745 1.450 13 HA ALA 4 HA ALA 4 4.232 15.061 2.075 14 HB1 ALA 4 HB1 ALA 4 3.348 17.079 3.082 15 HB2 ALA 4 HB2 ALA 4 2.034 16.162 3.821 16 HB3 ALA 4 HB3 ALA 4 3.699 15.883 4.331 17 H LYS 5 H LYS 5 4.855 13.276 3.174 18 HA LYS 5 HA LYS 5 3.235 10.992 3.185 19 HB2 LYS 5 HB2 LYS 5 5.918 11.546 3.624 20 HB3 LYS 5 HB3 LYS 5 5.369 10.909 5.169 21 HG2 LYS 5 HG2 LYS 5 5.106 8.827 4.367 22 HG3 LYS 5 HG3 LYS 5 4.505 9.389 2.805 23 HD2 LYS 5 HD2 LYS 5 7.395 9.594 3.628 24 HD3 LYS 5 HD3 LYS 5 6.735 8.203 2.766 25 HE2 LYS 5 HE2 LYS 5 5.943 9.793 0.998 26 HE3 LYS 5 HE3 LYS 5 6.842 11.064 1.826 27 HZ1 LYS 5 HZ1 LYS 5 8.790 10.290 1.074 28 HZ2 LYS 5 HZ2 LYS 5 7.855 9.526 -0.111 29 HZ3 LYS 5 HZ3 LYS 5 8.356 8.664 1.256 30 H GLU 6 H GLU 6 2.927 9.645 5.265 31 HA GLU 6 HA GLU 6 1.044 10.963 6.885 32 HB2 GLU 6 HB2 GLU 6 0.856 8.598 6.571 33 HB3 GLU 6 HB3 GLU 6 2.471 8.324 7.209 34 HG2 GLU 6 HG2 GLU 6 1.785 8.871 9.414 35 HG3 GLU 6 HG3 GLU 6 0.225 9.465 8.846 36 H GLY 7 H GLY 7 1.391 12.385 8.449 37 HA2 GLY 7 HA2 GLY 7 2.222 13.011 10.572 38 HA3 GLY 7 HA3 GLY 7 3.585 11.928 10.332 39 H GLU 8 H GLU 8 4.064 13.002 7.609 40 HA GLU 8 HA GLU 8 6.028 14.871 8.199 41 HB2 GLU 8 HB2 GLU 8 4.589 14.126 5.678 42 HB3 GLU 8 HB3 GLU 8 5.710 15.480 5.673 43 HG2 GLU 8 HG2 GLU 8 6.468 12.739 6.635 44 HG3 GLU 8 HG3 GLU 8 6.645 13.256 4.960 45 H VAL 9 H VAL 9 6.162 17.143 7.528 46 HA VAL 9 HA VAL 9 3.950 18.635 8.564 47 HB VAL 9 HB VAL 9 6.388 19.729 7.160 48 HG11 VAL 9 HG11 VAL 9 5.713 21.489 9.119 49 HG12 VAL 9 HG12 VAL 9 5.205 21.620 7.434 50 HG13 VAL 9 HG13 VAL 9 4.129 20.892 8.627 51 HG21 VAL 9 HG21 VAL 9 6.031 19.125 10.094 52 HG22 VAL 9 HG22 VAL 9 7.038 18.205 8.976 53 HG23 VAL 9 HG23 VAL 9 7.438 19.882 9.347 54 H CYS 10 H CYS 10 2.697 20.196 7.484 55 HA CYS 10 HA CYS 10 2.587 19.872 4.556 56 HB2 CYS 10 HB2 CYS 10 0.196 20.047 4.627 57 HB3 CYS 10 HB3 CYS 10 0.673 18.818 5.795 58 H SER 11 H SER 11 2.306 21.686 3.314 59 HA SER 11 HA SER 11 2.187 24.265 4.730 60 HB2 SER 11 HB2 SER 11 3.802 25.177 3.084 61 HB3 SER 11 HB3 SER 11 4.501 23.883 4.057 62 HG SER 11 HG SER 11 5.040 23.253 2.082 63 H TRP 12 H TRP 12 2.079 26.014 2.719 64 HA TRP 12 HA TRP 12 -0.558 25.849 1.803 65 HB2 TRP 12 HB2 TRP 12 0.018 27.795 0.381 66 HB3 TRP 12 HB3 TRP 12 0.574 27.985 2.042 67 HD1 TRP 12 HD1 TRP 12 3.174 28.156 2.453 68 HE1 TRP 12 HE1 TRP 12 5.188 28.440 0.876 69 HE3 TRP 12 HE3 TRP 12 0.877 27.110 -1.994 70 HZ2 TRP 12 HZ2 TRP 12 5.731 28.247 -1.887 71 HZ3 TRP 12 HZ3 TRP 12 2.215 27.182 -4.058 72 HH2 TRP 12 HH2 TRP 12 4.591 27.740 -4.003 73 H GLY 13 H GLY 13 2.482 24.937 0.286 74 HA2 GLY 13 HA2 GLY 13 1.087 24.229 -2.190 75 HA3 GLY 13 HA3 GLY 13 2.828 24.264 -1.957 76 H LYS 14 H LYS 14 2.476 22.749 0.621 77 HA LYS 14 HA LYS 14 2.258 20.094 -0.616 78 HB2 LYS 14 HB2 LYS 14 4.383 20.895 0.608 79 HB3 LYS 14 HB3 LYS 14 3.457 20.663 2.085 80 HG2 LYS 14 HG2 LYS 14 4.479 18.639 1.951 81 HG3 LYS 14 HG3 LYS 14 3.018 18.288 1.024 82 HD2 LYS 14 HD2 LYS 14 4.849 17.434 -0.226 83 HD3 LYS 14 HD3 LYS 14 4.314 18.903 -1.045 84 HE2 LYS 14 HE2 LYS 14 6.136 20.151 -0.188 85 HE3 LYS 14 HE3 LYS 14 6.560 18.879 0.956 86 HZ1 LYS 14 HZ1 LYS 14 7.739 19.228 -1.422 87 HZ2 LYS 14 HZ2 LYS 14 6.571 18.071 -1.821 88 HZ3 LYS 14 HZ3 LYS 14 7.693 17.752 -0.596 89 H LYS 15 H LYS 15 0.374 19.116 -0.320 90 HA LYS 15 HA LYS 15 -1.108 19.611 2.172 91 HB2 LYS 15 HB2 LYS 15 -3.089 18.790 0.933 92 HB3 LYS 15 HB3 LYS 15 -2.366 20.212 0.194 93 HG2 LYS 15 HG2 LYS 15 -1.478 17.566 -0.796 94 HG3 LYS 15 HG3 LYS 15 -3.109 18.094 -1.216 95 HD2 LYS 15 HD2 LYS 15 -0.836 19.991 -1.575 96 HD3 LYS 15 HD3 LYS 15 -1.060 18.692 -2.749 97 HE2 LYS 15 HE2 LYS 15 -3.420 19.451 -3.026 98 HE3 LYS 15 HE3 LYS 15 -3.050 20.826 -1.987 99 HZ1 LYS 15 HZ1 LYS 15 -1.144 21.182 -3.696 100 HZ2 LYS 15 HZ2 LYS 15 -2.711 21.706 -4.058 101 HZ3 LYS 15 HZ3 LYS 15 -2.129 20.262 -4.718 102 H CYS 16 H CYS 16 -2.395 17.738 2.986 103 HA CYS 16 HA CYS 16 -0.674 15.408 3.135 104 HB2 CYS 16 HB2 CYS 16 -3.294 15.934 4.553 105 HB3 CYS 16 HB3 CYS 16 -2.114 14.690 4.952 106 H CYS 17 H CYS 17 -0.921 13.665 1.917 107 HA CYS 17 HA CYS 17 -2.800 13.352 -0.081 108 HB2 CYS 17 HB2 CYS 17 -0.787 11.663 1.210 109 HB3 CYS 17 HB3 CYS 17 -2.145 10.749 0.559 110 H ASP 18 H ASP 18 -2.943 12.323 3.277 111 HA ASP 18 HA ASP 18 -5.608 11.178 2.818 112 HB2 ASP 18 HB2 ASP 18 -3.450 10.688 4.788 113 HB3 ASP 18 HB3 ASP 18 -5.098 10.584 5.402 114 H LEU 19 H LEU 19 -6.775 13.110 2.682 115 HA LEU 19 HA LEU 19 -6.640 15.059 4.800 116 HB2 LEU 19 HB2 LEU 19 -8.537 14.759 2.478 117 HB3 LEU 19 HB3 LEU 19 -8.522 16.126 3.591 118 HG LEU 19 HG LEU 19 -6.371 15.357 1.622 119 HD11 LEU 19 HD11 LEU 19 -8.498 17.433 1.732 120 HD12 LEU 19 HD12 LEU 19 -7.900 16.496 0.363 121 HD13 LEU 19 HD13 LEU 19 -6.952 17.845 0.989 122 HD21 LEU 19 HD21 LEU 19 -5.189 17.356 2.403 123 HD22 LEU 19 HD22 LEU 19 -5.351 16.153 3.683 124 HD23 LEU 19 HD23 LEU 19 -6.397 17.573 3.669 125 H ASP 20 H ASP 20 -8.760 12.422 3.852 126 HA ASP 20 HA ASP 20 -10.887 12.984 5.612 127 HB2 ASP 20 HB2 ASP 20 -9.980 10.295 4.561 128 HB3 ASP 20 HB3 ASP 20 -11.559 10.657 5.252 129 H ASN 21 H ASN 21 -7.868 11.231 6.021 130 HA ASN 21 HA ASN 21 -8.594 10.499 8.755 131 HB2 ASN 21 HB2 ASN 21 -6.245 9.771 7.000 132 HB3 ASN 21 HB3 ASN 21 -6.359 9.306 8.695 133 HD21 ASN 21 HD21 ASN 21 -6.363 7.783 6.107 134 HD22 ASN 21 HD22 ASN 21 -7.747 6.755 6.216 135 H PHE 22 H PHE 22 -5.798 12.009 7.127 136 HA PHE 22 HA PHE 22 -5.099 13.345 9.628 137 HB2 PHE 22 HB2 PHE 22 -3.566 13.445 7.031 138 HB3 PHE 22 HB3 PHE 22 -2.972 13.794 8.651 139 HD1 PHE 22 HD1 PHE 22 -2.304 11.670 6.264 140 HD2 PHE 22 HD2 PHE 22 -3.954 11.512 10.185 141 HE1 PHE 22 HE1 PHE 22 -1.551 9.338 6.484 142 HE2 PHE 22 HE2 PHE 22 -3.202 9.181 10.411 143 HZ PHE 22 HZ PHE 22 -1.999 8.090 8.559 144 H TYR 23 H TYR 23 -4.303 15.653 9.408 145 HA TYR 23 HA TYR 23 -5.518 17.249 7.338 146 HB2 TYR 23 HB2 TYR 23 -7.037 18.485 8.698 147 HB3 TYR 23 HB3 TYR 23 -7.380 16.782 8.982 148 HD1 TYR 23 HD1 TYR 23 -7.098 19.827 10.562 149 HD2 TYR 23 HD2 TYR 23 -5.829 15.790 10.998 150 HE1 TYR 23 HE1 TYR 23 -6.820 20.182 12.980 151 HE2 TYR 23 HE2 TYR 23 -5.549 16.133 13.417 152 HH TYR 23 HH TYR 23 -6.437 19.196 14.953 153 H CYS 24 H CYS 24 -5.281 19.692 8.032 154 HA CYS 24 HA CYS 24 -2.557 19.971 9.111 155 HB2 CYS 24 HB2 CYS 24 -4.102 21.594 7.093 156 HB3 CYS 24 HB3 CYS 24 -2.639 22.203 7.859 157 HA PRO 25 HA PRO 25 -5.118 21.898 12.379 158 HB2 PRO 25 HB2 PRO 25 -3.362 21.333 14.371 159 HB3 PRO 25 HB3 PRO 25 -4.563 20.173 13.791 160 HG2 PRO 25 HG2 PRO 25 -1.654 20.384 13.117 161 HG3 PRO 25 HG3 PRO 25 -2.618 18.938 13.470 162 HD2 PRO 25 HD2 PRO 25 -1.980 19.684 10.946 163 HD3 PRO 25 HD3 PRO 25 -3.499 18.853 11.342 164 H MET 26 H MET 26 -4.933 23.921 13.229 165 HA MET 26 HA MET 26 -2.805 25.583 12.288 166 HB2 MET 26 HB2 MET 26 -3.993 27.365 13.599 167 HB3 MET 26 HB3 MET 26 -4.989 26.545 12.404 168 HG2 MET 26 HG2 MET 26 -5.301 25.092 14.771 169 HG3 MET 26 HG3 MET 26 -5.363 26.791 15.236 170 HE1 MET 26 HE1 MET 26 -7.252 23.974 12.971 171 HE2 MET 26 HE2 MET 26 -7.989 25.125 11.856 172 HE3 MET 26 HE3 MET 26 -6.232 25.021 11.984 173 H GLU 27 H GLU 27 -0.849 25.318 13.190 174 HA GLU 27 HA GLU 27 -0.459 26.075 15.922 175 HB2 GLU 27 HB2 GLU 27 0.634 23.997 16.655 176 HB3 GLU 27 HB3 GLU 27 -1.067 23.746 16.289 177 HG2 GLU 27 HG2 GLU 27 -0.260 22.981 13.983 178 HG3 GLU 27 HG3 GLU 27 1.333 22.874 14.729 179 H PHE 28 H PHE 28 1.991 25.631 16.496 180 HA PHE 28 HA PHE 28 3.550 27.180 14.828 181 HB2 PHE 28 HB2 PHE 28 4.432 25.041 16.776 182 HB3 PHE 28 HB3 PHE 28 5.505 26.238 16.057 183 HD1 PHE 28 HD1 PHE 28 3.817 25.469 18.931 184 HD2 PHE 28 HD2 PHE 28 4.435 28.744 16.284 185 HE1 PHE 28 HE1 PHE 28 3.276 27.036 20.749 186 HE2 PHE 28 HE2 PHE 28 3.896 30.316 18.097 187 HZ PHE 28 HZ PHE 28 3.316 29.463 20.334 188 H ILE 29 H ILE 29 3.706 23.629 15.141 189 HA ILE 29 HA ILE 29 4.718 23.533 12.375 190 HB ILE 29 HB ILE 29 5.462 21.573 14.543 191 HG12 ILE 29 HG12 ILE 29 7.772 22.849 14.054 192 HG13 ILE 29 HG13 ILE 29 6.658 24.178 13.753 193 HG21 ILE 29 HG21 ILE 29 5.506 21.035 11.993 194 HG22 ILE 29 HG22 ILE 29 6.967 22.021 12.004 195 HG23 ILE 29 HG23 ILE 29 6.870 20.578 13.013 196 HD11 ILE 29 HD11 ILE 29 6.836 24.541 15.945 197 HD12 ILE 29 HD12 ILE 29 5.717 23.186 16.106 198 HD13 ILE 29 HD13 ILE 29 7.454 22.920 16.262 199 HA PRO 30 HA PRO 30 0.878 21.153 12.148 200 HB2 PRO 30 HB2 PRO 30 0.708 21.290 9.442 201 HB3 PRO 30 HB3 PRO 30 0.191 22.604 10.504 202 HG2 PRO 30 HG2 PRO 30 2.749 22.296 8.980 203 HG3 PRO 30 HG3 PRO 30 1.732 23.735 9.181 204 HD2 PRO 30 HD2 PRO 30 3.992 23.336 10.618 205 HD3 PRO 30 HD3 PRO 30 2.586 24.201 11.271 206 H HIS 31 H HIS 31 0.473 19.033 11.622 207 HA HIS 31 HA HIS 31 2.458 17.561 10.060 208 HB2 HIS 31 HB2 HIS 31 1.583 16.726 12.834 209 HB3 HIS 31 HB3 HIS 31 2.626 15.797 11.760 210 HD1 HIS 31 HD1 HIS 31 2.911 17.787 14.611 211 HD2 HIS 31 HD2 HIS 31 4.984 17.674 11.013 212 HE1 HIS 31 HE1 HIS 31 5.119 18.899 15.072 213 H CYS 32 H CYS 32 1.635 15.865 8.918 214 HA CYS 32 HA CYS 32 -1.218 15.741 8.647 215 HB2 CYS 32 HB2 CYS 32 0.954 14.072 7.361 216 HB3 CYS 32 HB3 CYS 32 -0.743 14.064 6.893 217 H LYS 33 H LYS 33 -1.353 15.094 11.028 218 HA LYS 33 HA LYS 33 -1.221 12.158 11.257 219 HB2 LYS 33 HB2 LYS 33 -1.097 12.499 13.705 220 HB3 LYS 33 HB3 LYS 33 0.263 13.218 12.853 221 HG2 LYS 33 HG2 LYS 33 -0.550 15.398 13.169 222 HG3 LYS 33 HG3 LYS 33 -2.151 14.819 13.637 223 HD2 LYS 33 HD2 LYS 33 -1.172 15.424 15.665 224 HD3 LYS 33 HD3 LYS 33 -0.933 13.676 15.596 225 HE2 LYS 33 HE2 LYS 33 1.332 14.351 14.456 226 HE3 LYS 33 HE3 LYS 33 1.048 15.884 15.279 227 HZ1 LYS 33 HZ1 LYS 33 0.755 13.453 16.863 228 HZ2 LYS 33 HZ2 LYS 33 1.373 14.964 17.305 229 HZ3 LYS 33 HZ3 LYS 33 2.328 13.887 16.416 230 H LYS 34 H LYS 34 -2.863 11.302 12.894 231 HA LYS 34 HA LYS 34 -5.458 11.901 11.961 232 HB2 LYS 34 HB2 LYS 34 -4.602 10.365 14.422 233 HB3 LYS 34 HB3 LYS 34 -6.224 10.364 13.742 234 HG2 LYS 34 HG2 LYS 34 -3.753 9.392 12.323 235 HG3 LYS 34 HG3 LYS 34 -4.939 8.365 13.133 236 HD2 LYS 34 HD2 LYS 34 -5.519 10.218 10.822 237 HD3 LYS 34 HD3 LYS 34 -5.299 8.471 10.699 238 HE2 LYS 34 HE2 LYS 34 -7.192 8.497 12.564 239 HE3 LYS 34 HE3 LYS 34 -7.572 10.037 11.795 240 HZ1 LYS 34 HZ1 LYS 34 -7.128 7.937 9.900 241 HZ2 LYS 34 HZ2 LYS 34 -8.430 9.008 10.037 242 HZ3 LYS 34 HZ3 LYS 34 -8.404 7.588 10.955 243 H TYR 35 H TYR 35 -7.297 12.591 13.286 244 HA TYR 35 HA TYR 35 -6.990 15.114 14.359 245 HB2 TYR 35 HB2 TYR 35 -9.135 13.036 14.604 246 HB3 TYR 35 HB3 TYR 35 -9.249 14.516 15.549 247 HD1 TYR 35 HD1 TYR 35 -9.700 13.007 12.313 248 HD2 TYR 35 HD2 TYR 35 -9.288 16.728 14.336 249 HE1 TYR 35 HE1 TYR 35 -10.663 14.165 10.368 250 HE2 TYR 35 HE2 TYR 35 -10.251 17.895 12.397 251 HH TYR 35 HH TYR 35 -10.759 17.665 10.175 252 H LYS 36 H LYS 36 -7.132 15.929 16.509 253 HA LYS 36 HA LYS 36 -5.898 14.132 18.479 254 HB2 LYS 36 HB2 LYS 36 -5.785 17.083 18.012 255 HB3 LYS 36 HB3 LYS 36 -5.518 16.470 19.638 256 HG2 LYS 36 HG2 LYS 36 -3.771 14.936 18.585 257 HG3 LYS 36 HG3 LYS 36 -3.901 15.975 17.163 258 HD2 LYS 36 HD2 LYS 36 -2.194 17.029 18.261 259 HD3 LYS 36 HD3 LYS 36 -3.571 17.881 18.964 260 HE2 LYS 36 HE2 LYS 36 -2.015 17.233 20.704 261 HE3 LYS 36 HE3 LYS 36 -3.524 16.337 20.878 262 HZ1 LYS 36 HZ1 LYS 36 -0.890 15.353 20.471 263 HZ2 LYS 36 HZ2 LYS 36 -1.930 14.783 19.265 264 HZ3 LYS 36 HZ3 LYS 36 -2.294 14.509 20.894 265 HA PRO 37 HA PRO 37 -9.365 14.208 21.167 266 HB2 PRO 37 HB2 PRO 37 -8.201 14.383 23.613 267 HB3 PRO 37 HB3 PRO 37 -8.143 12.919 22.624 268 HG2 PRO 37 HG2 PRO 37 -6.070 15.050 22.976 269 HG3 PRO 37 HG3 PRO 37 -5.868 13.289 22.934 270 HD2 PRO 37 HD2 PRO 37 -5.337 14.867 20.799 271 HD3 PRO 37 HD3 PRO 37 -5.947 13.208 20.632 272 H TYR 38 H TYR 38 -10.516 15.463 22.826 273 HA TYR 38 HA TYR 38 -10.726 18.149 22.229 274 HB2 TYR 38 HB2 TYR 38 -11.486 16.652 24.740 275 HB3 TYR 38 HB3 TYR 38 -11.923 18.333 24.454 276 HD1 TYR 38 HD1 TYR 38 -13.293 15.254 24.477 277 HD2 TYR 38 HD2 TYR 38 -12.836 18.525 21.795 278 HE1 TYR 38 HE1 TYR 38 -15.293 14.518 23.247 279 HE2 TYR 38 HE2 TYR 38 -14.835 17.799 20.559 280 HH TYR 38 HH TYR 38 -16.289 16.079 20.256 281 H VAL 39 H VAL 39 -9.978 20.047 23.128 282 HA VAL 39 HA VAL 39 -7.426 19.845 24.498 283 HB VAL 39 HB VAL 39 -8.890 22.294 23.503 284 HG11 VAL 39 HG11 VAL 39 -6.010 21.979 24.339 285 HG12 VAL 39 HG12 VAL 39 -6.792 23.459 23.781 286 HG13 VAL 39 HG13 VAL 39 -7.270 22.733 25.316 287 HG21 VAL 39 HG21 VAL 39 -8.185 21.783 21.461 288 HG22 VAL 39 HG22 VAL 39 -6.521 21.690 22.036 289 HG23 VAL 39 HG23 VAL 39 -7.548 20.256 22.073 290 HA PRO 40 HA PRO 40 -9.150 20.550 28.510 291 HB2 PRO 40 HB2 PRO 40 -6.828 21.133 29.789 292 HB3 PRO 40 HB3 PRO 40 -7.279 19.490 29.320 293 HG2 PRO 40 HG2 PRO 40 -5.437 21.412 27.951 294 HG3 PRO 40 HG3 PRO 40 -5.232 19.673 28.233 295 HD2 PRO 40 HD2 PRO 40 -6.035 20.677 25.850 296 HD3 PRO 40 HD3 PRO 40 -6.576 19.097 26.452 297 H VAL 41 H VAL 41 -9.325 22.253 30.114 298 HA VAL 41 HA VAL 41 -9.854 24.760 29.091 299 HB VAL 41 HB VAL 41 -9.031 24.195 31.942 300 HG11 VAL 41 HG11 VAL 41 -11.123 26.148 31.522 301 HG12 VAL 41 HG12 VAL 41 -9.613 26.290 32.423 302 HG13 VAL 41 HG13 VAL 41 -9.637 26.597 30.686 303 HG21 VAL 41 HG21 VAL 41 -11.671 24.155 32.099 304 HG22 VAL 41 HG22 VAL 41 -11.522 23.606 30.430 305 HG23 VAL 41 HG23 VAL 41 -10.745 22.701 31.728 306 H THR 42 H THR 42 -8.660 26.446 28.496 307 HA THR 42 HA THR 42 -5.796 26.427 29.159 308 HB THR 42 HB THR 42 -5.512 27.959 27.241 309 HG1 THR 42 HG1 THR 42 -7.218 28.869 26.399 310 HG21 THR 42 HG21 THR 42 -5.710 25.307 27.145 311 HG22 THR 42 HG22 THR 42 -5.459 26.278 25.694 312 HG23 THR 42 HG23 THR 42 -7.075 25.703 26.102 313 H THR 43 H THR 43 -4.761 28.557 29.462 314 HA THR 43 HA THR 43 -5.820 29.977 31.576 315 HB THR 43 HB THR 43 -4.069 31.471 29.682 316 HG1 THR 43 HG1 THR 43 -2.959 29.420 31.278 317 HG21 THR 43 HG21 THR 43 -2.922 31.352 32.201 318 HG22 THR 43 HG22 THR 43 -4.654 31.386 32.527 319 HG23 THR 43 HG23 THR 43 -3.913 32.665 31.567 320 H SER 44 H SER 44 -6.351 32.350 31.605 321 HA SER 44 HA SER 44 -8.653 32.817 30.018 322 HB2 SER 44 HB2 SER 44 -8.756 33.822 32.122 323 HB3 SER 44 HB3 SER 44 -7.109 34.443 32.015 324 HG SER 44 HG SER 44 -8.273 36.200 31.591 325 H PHE 45 H PHE 45 -9.018 34.672 28.617 326 HA PHE 45 HA PHE 45 -6.708 35.126 26.878 327 HB2 PHE 45 HB2 PHE 45 -9.678 35.271 26.491 328 HB3 PHE 45 HB3 PHE 45 -8.610 36.137 25.391 329 HD1 PHE 45 HD1 PHE 45 -10.483 33.360 25.526 330 HD2 PHE 45 HD2 PHE 45 -6.420 34.444 24.867 331 HE1 PHE 45 HE1 PHE 45 -10.144 31.293 24.236 332 HE2 PHE 45 HE2 PHE 45 -6.075 32.379 23.575 333 HZ PHE 45 HZ PHE 45 -7.938 30.799 23.259 334 H ASN 46 H ASN 46 -6.462 37.293 25.897 335 HA ASN 46 HA ASN 46 -7.540 39.531 27.389 336 HB2 ASN 46 HB2 ASN 46 -5.448 38.652 28.605 337 HB3 ASN 46 HB3 ASN 46 -4.542 39.280 27.230 338 HD21 ASN 46 HD21 ASN 46 -7.137 40.338 29.411 339 HD22 ASN 46 HD22 ASN 46 -6.499 41.922 29.674 340 H CYS 47 H CYS 47 -7.592 41.394 26.215 341 HA CYS 47 HA CYS 47 -7.319 41.247 23.424 342 HB2 CYS 47 HB2 CYS 47 -7.670 43.719 23.484 343 HB3 CYS 47 HB3 CYS 47 -8.864 42.815 24.409 344 H ALA 48 H ALA 48 -5.939 42.605 22.056 345 HA ALA 48 HA ALA 48 -3.180 42.338 22.828 346 HB1 ALA 48 HB1 ALA 48 -4.569 43.238 20.326 347 HB2 ALA 48 HB2 ALA 48 -2.822 43.393 20.519 348 HB3 ALA 48 HB3 ALA 48 -3.579 41.801 20.591 349 H LYS 49 H LYS 49 -2.250 43.791 24.107 350 HA LYS 49 HA LYS 49 -3.212 46.476 24.358 351 HB2 LYS 49 HB2 LYS 49 -0.772 45.081 25.465 352 HB3 LYS 49 HB3 LYS 49 -1.193 46.746 25.843 353 HG2 LYS 49 HG2 LYS 49 -3.207 44.596 26.294 354 HG3 LYS 49 HG3 LYS 49 -1.883 44.807 27.443 355 HD2 LYS 49 HD2 LYS 49 -2.522 47.147 27.753 356 HD3 LYS 49 HD3 LYS 49 -3.837 46.946 26.593 357 HE2 LYS 49 HE2 LYS 49 -4.781 46.781 28.772 358 HE3 LYS 49 HE3 LYS 49 -4.757 45.157 28.086 359 HZ1 LYS 49 HZ1 LYS 49 -3.967 44.871 30.232 360 HZ2 LYS 49 HZ2 LYS 49 -3.042 46.286 30.205 361 HZ3 LYS 49 HZ3 LYS 49 -2.544 44.934 29.319 362 H GLU 50 H GLU 50 -1.600 48.338 24.247 363 HA GLU 50 HA GLU 50 -0.857 48.818 21.634 364 HB2 GLU 50 HB2 GLU 50 -1.022 50.389 23.746 365 HB3 GLU 50 HB3 GLU 50 0.709 50.096 23.835 366 HG2 GLU 50 HG2 GLU 50 0.483 50.733 21.235 367 HG3 GLU 50 HG3 GLU 50 -0.850 51.674 21.901 368 H GLY 51 H GLY 51 0.806 48.263 20.373 369 HA2 GLY 51 HA2 GLY 51 3.130 47.874 19.972 370 HA3 GLY 51 HA3 GLY 51 3.289 47.319 21.632 371 H GLU 52 H GLU 52 0.863 45.650 21.435 372 HA GLU 52 HA GLU 52 2.084 43.238 20.661 373 HB2 GLU 52 HB2 GLU 52 -0.862 43.823 21.007 374 HB3 GLU 52 HB3 GLU 52 -0.126 42.226 20.982 375 HG2 GLU 52 HG2 GLU 52 0.453 44.359 23.024 376 HG3 GLU 52 HG3 GLU 52 -0.661 43.011 23.250 377 H VAL 53 H VAL 53 1.500 41.784 18.952 378 HA VAL 53 HA VAL 53 0.990 43.197 16.453 379 HB VAL 53 HB VAL 53 1.748 40.298 16.807 380 HG11 VAL 53 HG11 VAL 53 2.725 40.843 14.453 381 HG12 VAL 53 HG12 VAL 53 1.003 40.501 14.632 382 HG13 VAL 53 HG13 VAL 53 1.561 42.168 14.485 383 HG21 VAL 53 HG21 VAL 53 3.320 42.690 17.207 384 HG22 VAL 53 HG22 VAL 53 3.740 41.005 17.512 385 HG23 VAL 53 HG23 VAL 53 3.977 41.696 15.907 386 H CYS 54 H CYS 54 -0.570 42.527 14.934 387 HA CYS 54 HA CYS 54 -2.789 40.974 16.097 388 HB2 CYS 54 HB2 CYS 54 -3.022 43.118 13.980 389 HB3 CYS 54 HB3 CYS 54 -4.334 42.330 14.849 390 H GLY 55 H GLY 55 -3.821 39.445 14.835 391 HA2 GLY 55 HA2 GLY 55 -3.864 38.959 12.201 392 HA3 GLY 55 HA3 GLY 55 -2.241 38.428 12.620 393 H TRP 56 H TRP 56 -2.998 37.458 15.254 394 HA TRP 56 HA TRP 56 -4.108 34.902 14.402 395 HB2 TRP 56 HB2 TRP 56 -2.770 35.773 16.970 396 HB3 TRP 56 HB3 TRP 56 -3.401 34.152 16.692 397 HD1 TRP 56 HD1 TRP 56 -0.651 36.528 15.403 398 HE1 TRP 56 HE1 TRP 56 1.216 35.101 14.352 399 HE3 TRP 56 HE3 TRP 56 -2.874 31.934 15.700 400 HZ2 TRP 56 HZ2 TRP 56 1.685 32.388 13.731 401 HZ3 TRP 56 HZ3 TRP 56 -1.650 29.974 14.855 402 HH2 TRP 56 HH2 TRP 56 0.582 30.198 13.891 403 H GLY 57 H GLY 57 -6.037 36.833 14.360 404 HA2 GLY 57 HA2 GLY 57 -8.189 37.204 15.068 405 HA3 GLY 57 HA3 GLY 57 -8.039 35.727 16.008 406 H SER 58 H SER 58 -5.964 38.527 16.411 407 HA SER 58 HA SER 58 -7.109 38.887 19.100 408 HB2 SER 58 HB2 SER 58 -4.341 38.950 18.047 409 HB3 SER 58 HB3 SER 58 -4.731 40.167 19.262 410 HG SER 58 HG SER 58 -5.178 37.378 19.551 411 H LYS 59 H LYS 59 -8.325 40.629 19.336 412 HA LYS 59 HA LYS 59 -7.956 42.900 17.524 413 HB2 LYS 59 HB2 LYS 59 -10.213 42.517 19.484 414 HB3 LYS 59 HB3 LYS 59 -10.172 43.562 18.070 415 HG2 LYS 59 HG2 LYS 59 -10.121 40.553 17.981 416 HG3 LYS 59 HG3 LYS 59 -11.561 41.549 17.761 417 HD2 LYS 59 HD2 LYS 59 -9.181 42.120 16.068 418 HD3 LYS 59 HD3 LYS 59 -10.140 40.684 15.703 419 HE2 LYS 59 HE2 LYS 59 -11.374 43.404 16.051 420 HE3 LYS 59 HE3 LYS 59 -10.769 42.835 14.495 421 HZ1 LYS 59 HZ1 LYS 59 -13.249 42.477 15.185 422 HZ2 LYS 59 HZ2 LYS 59 -12.625 41.123 15.984 423 HZ3 LYS 59 HZ3 LYS 59 -12.418 41.289 14.313 424 H CYS 60 H CYS 60 -7.353 44.889 18.201 425 HA CYS 60 HA CYS 60 -5.943 45.200 20.593 426 HB2 CYS 60 HB2 CYS 60 -7.148 47.305 18.785 427 HB3 CYS 60 HB3 CYS 60 -5.982 47.633 20.062 428 H CYS 61 H CYS 61 -6.389 46.461 22.460 429 HA CYS 61 HA CYS 61 -8.980 46.041 23.535 430 HB2 CYS 61 HB2 CYS 61 -6.864 47.887 24.645 431 HB3 CYS 61 HB3 CYS 61 -8.150 47.073 25.530 432 H HIS 62 H HIS 62 -10.200 47.875 24.630 433 HA HIS 62 HA HIS 62 -11.272 49.583 22.729 434 HB2 HIS 62 HB2 HIS 62 -11.269 49.774 25.743 435 HB3 HIS 62 HB3 HIS 62 -12.218 50.839 24.710 436 HD1 HIS 62 HD1 HIS 62 -12.651 47.958 26.660 437 HD2 HIS 62 HD2 HIS 62 -13.874 49.032 22.837 438 HE1 HIS 62 HE1 HIS 62 -14.595 46.455 26.129 439 H GLY 63 H GLY 63 -10.637 51.442 21.847 440 HA2 GLY 63 HA2 GLY 63 -9.760 53.653 21.956 441 HA3 GLY 63 HA3 GLY 63 -8.778 53.165 23.328 442 H LEU 64 H LEU 64 -8.038 50.659 21.796 443 HA LEU 64 HA LEU 64 -5.884 51.907 20.244 444 HB2 LEU 64 HB2 LEU 64 -6.138 49.133 21.397 445 HB3 LEU 64 HB3 LEU 64 -4.765 49.709 20.455 446 HG LEU 64 HG LEU 64 -5.558 51.105 22.983 447 HD11 LEU 64 HD11 LEU 64 -4.039 48.531 22.715 448 HD12 LEU 64 HD12 LEU 64 -5.379 48.916 23.795 449 HD13 LEU 64 HD13 LEU 64 -3.790 49.629 24.073 450 HD21 LEU 64 HD21 LEU 64 -3.252 51.028 21.139 451 HD22 LEU 64 HD22 LEU 64 -2.879 51.154 22.859 452 HD23 LEU 64 HD23 LEU 64 -3.907 52.363 22.087 453 H ASP 65 H ASP 65 -5.173 50.817 18.265 454 HA ASP 65 HA ASP 65 -7.115 49.113 16.937 455 HB2 ASP 65 HB2 ASP 65 -7.695 51.619 16.575 456 HB3 ASP 65 HB3 ASP 65 -6.290 51.627 15.513 457 H CYS 66 H CYS 66 -6.316 48.256 14.892 458 HA CYS 66 HA CYS 66 -3.371 48.294 14.758 459 HB2 CYS 66 HB2 CYS 66 -5.119 46.107 15.178 460 HB3 CYS 66 HB3 CYS 66 -4.470 45.932 13.551 461 HA PRO 67 HA PRO 67 -4.010 49.884 10.668 462 HB2 PRO 67 HB2 PRO 67 -1.420 49.745 9.868 463 HB3 PRO 67 HB3 PRO 67 -2.021 50.994 10.965 464 HG2 PRO 67 HG2 PRO 67 -0.552 48.464 11.599 465 HG3 PRO 67 HG3 PRO 67 -0.325 50.088 12.273 466 HD2 PRO 67 HD2 PRO 67 -1.698 48.150 13.574 467 HD3 PRO 67 HD3 PRO 67 -2.104 49.871 13.723 468 H LEU 68 H LEU 68 -3.584 49.214 8.420 469 HA LEU 68 HA LEU 68 -3.715 46.299 8.189 470 HB2 LEU 68 HB2 LEU 68 -4.379 48.458 6.193 471 HB3 LEU 68 HB3 LEU 68 -4.591 46.728 5.935 472 HG LEU 68 HG LEU 68 -6.022 48.262 8.097 473 HD11 LEU 68 HD11 LEU 68 -7.805 48.669 6.703 474 HD12 LEU 68 HD12 LEU 68 -7.333 47.419 5.553 475 HD13 LEU 68 HD13 LEU 68 -6.445 48.942 5.614 476 HD21 LEU 68 HD21 LEU 68 -6.281 46.099 8.726 477 HD22 LEU 68 HD22 LEU 68 -6.018 45.475 7.097 478 HD23 LEU 68 HD23 LEU 68 -7.579 46.171 7.534 479 H ALA 69 H ALA 69 -1.602 45.636 8.211 480 HA ALA 69 HA ALA 69 -0.116 46.051 5.775 481 HB1 ALA 69 HB1 ALA 69 1.950 46.794 6.921 482 HB2 ALA 69 HB2 ALA 69 0.648 47.982 6.994 483 HB3 ALA 69 HB3 ALA 69 1.017 46.992 8.406 484 H PHE 70 H PHE 70 2.249 44.967 6.290 485 HA PHE 70 HA PHE 70 1.813 42.246 6.423 486 HB2 PHE 70 HB2 PHE 70 4.364 43.671 7.207 487 HB3 PHE 70 HB3 PHE 70 4.222 41.996 6.683 488 HD1 PHE 70 HD1 PHE 70 4.957 45.265 5.665 489 HD2 PHE 70 HD2 PHE 70 3.116 41.671 4.321 490 HE1 PHE 70 HE1 PHE 70 5.286 45.973 3.332 491 HE2 PHE 70 HE2 PHE 70 3.443 42.373 1.985 492 HZ PHE 70 HZ PHE 70 4.528 44.527 1.489 493 H ILE 71 H ILE 71 3.371 44.166 8.997 494 HA ILE 71 HA ILE 71 2.100 42.394 10.971 495 HB ILE 71 HB ILE 71 4.958 43.359 11.122 496 HG12 ILE 71 HG12 ILE 71 5.056 40.629 11.138 497 HG13 ILE 71 HG13 ILE 71 3.721 40.918 10.028 498 HG21 ILE 71 HG21 ILE 71 4.317 41.222 12.908 499 HG22 ILE 71 HG22 ILE 71 4.899 42.844 13.279 500 HG23 ILE 71 HG23 ILE 71 3.168 42.540 13.136 501 HD11 ILE 71 HD11 ILE 71 5.772 42.695 9.298 502 HD12 ILE 71 HD12 ILE 71 6.524 41.122 9.567 503 HD13 ILE 71 HD13 ILE 71 5.191 41.279 8.423 504 HA PRO 72 HA PRO 72 1.198 46.785 12.022 505 HB2 PRO 72 HB2 PRO 72 -1.321 46.275 12.897 506 HB3 PRO 72 HB3 PRO 72 -0.934 46.554 11.195 507 HG2 PRO 72 HG2 PRO 72 -1.356 43.968 12.643 508 HG3 PRO 72 HG3 PRO 72 -1.942 44.464 11.044 509 HD2 PRO 72 HD2 PRO 72 0.214 42.859 11.372 510 HD3 PRO 72 HD3 PRO 72 0.073 44.007 10.024 511 H TYR 73 H TYR 73 0.444 47.692 14.129 512 HA TYR 73 HA TYR 73 0.750 45.891 16.409 513 HB2 TYR 73 HB2 TYR 73 2.370 48.431 16.168 514 HB3 TYR 73 HB3 TYR 73 2.436 47.250 17.471 515 HD1 TYR 73 HD1 TYR 73 3.080 44.808 16.724 516 HD2 TYR 73 HD2 TYR 73 3.948 48.317 14.480 517 HE1 TYR 73 HE1 TYR 73 4.876 43.606 15.549 518 HE2 TYR 73 HE2 TYR 73 5.745 47.124 13.298 519 HH TYR 73 HH TYR 73 6.582 45.039 12.843 520 H CYS 74 H CYS 74 -0.624 46.362 18.006 521 HA CYS 74 HA CYS 74 -2.688 48.174 17.755 522 HB2 CYS 74 HB2 CYS 74 -1.481 46.853 20.178 523 HB3 CYS 74 HB3 CYS 74 -2.879 47.914 20.307 524 H GLU 75 H GLU 75 -3.013 50.275 18.236 525 HA GLU 75 HA GLU 75 -1.180 51.734 19.928 526 HB2 GLU 75 HB2 GLU 75 -0.462 53.330 18.289 527 HB3 GLU 75 HB3 GLU 75 -0.078 51.724 17.686 528 HG2 GLU 75 HG2 GLU 75 -2.109 51.798 16.290 529 HG3 GLU 75 HG3 GLU 75 -2.398 53.445 16.846 530 H LYS 76 H LYS 76 -2.009 53.698 20.655 531 HA LYS 76 HA LYS 76 -4.739 53.918 20.974 532 HB2 LYS 76 HB2 LYS 76 -2.673 56.125 21.031 533 HB3 LYS 76 HB3 LYS 76 -4.309 56.267 21.660 534 HG2 LYS 76 HG2 LYS 76 -2.315 54.241 22.642 535 HG3 LYS 76 HG3 LYS 76 -2.551 55.829 23.375 536 HD2 LYS 76 HD2 LYS 76 -4.819 53.895 22.985 537 HD3 LYS 76 HD3 LYS 76 -3.795 53.862 24.423 538 HE2 LYS 76 HE2 LYS 76 -4.971 56.464 23.595 539 HE3 LYS 76 HE3 LYS 76 -6.039 55.269 24.328 540 HZ1 LYS 76 HZ1 LYS 76 -4.976 55.404 26.322 541 HZ2 LYS 76 HZ2 LYS 76 -4.730 56.987 25.781 542 HZ3 LYS 76 HZ3 LYS 76 -3.489 55.846 25.649 543 H TYR 77 H TYR 77 -6.313 54.320 19.581 544 HA TYR 77 HA TYR 77 -5.772 55.386 16.970 545 HB2 TYR 77 HB2 TYR 77 -7.557 53.617 17.718 546 HB3 TYR 77 HB3 TYR 77 -8.546 55.035 18.051 547 HD1 TYR 77 HD1 TYR 77 -10.005 55.637 16.380 548 HD2 TYR 77 HD2 TYR 77 -6.312 53.819 15.302 549 HE1 TYR 77 HE1 TYR 77 -10.649 55.748 14.009 550 HE2 TYR 77 HE2 TYR 77 -6.945 53.927 12.928 551 HH TYR 77 HH TYR 77 -9.090 55.805 11.679 552 H ARG 78 H ARG 78 -6.097 57.399 16.219 553 HA ARG 78 HA ARG 78 -7.245 59.372 18.084 554 HB2 ARG 78 HB2 ARG 78 -5.206 59.961 15.940 555 HB3 ARG 78 HB3 ARG 78 -5.729 61.016 17.246 556 HG2 ARG 78 HG2 ARG 78 -4.153 58.469 17.553 557 HG3 ARG 78 HG3 ARG 78 -3.520 60.111 17.682 558 HD2 ARG 78 HD2 ARG 78 -5.651 60.096 19.437 559 HD3 ARG 78 HD3 ARG 78 -4.940 58.495 19.640 560 HE ARG 78 HE ARG 78 -3.189 59.477 20.716 561 HH11 ARG 78 HH11 ARG 78 -4.780 61.884 18.768 562 HH12 ARG 78 HH12 ARG 78 -3.803 63.190 19.351 563 HH21 ARG 78 HH21 ARG 78 -1.896 61.188 21.492 564 HH22 ARG 78 HH22 ARG 78 -2.162 62.793 20.900 Start of MODEL 16 1 H1 GLY 1 H GLY 1 2.147 -8.156 -0.290 2 HA2 GLY 1 HA2 GLY 1 0.456 -6.560 -0.092 3 HA3 GLY 1 HA3 GLY 1 1.756 -5.749 0.768 4 H ASP 2 H ASP 2 -0.402 -4.506 -0.660 5 HA ASP 2 HA ASP 2 1.126 -3.133 -2.775 6 HB2 ASP 2 HB2 ASP 2 -1.063 -2.630 -3.846 7 HB3 ASP 2 HB3 ASP 2 -0.706 -4.354 -3.781 8 H CYS 3 H CYS 3 1.834 -1.909 -0.777 9 HA CYS 3 HA CYS 3 0.540 0.604 -0.727 10 HB2 CYS 3 HB2 CYS 3 -0.325 0.678 1.502 11 HB3 CYS 3 HB3 CYS 3 -1.017 -0.742 0.725 12 H ALA 4 H ALA 4 1.562 2.088 0.911 13 HA ALA 4 HA ALA 4 4.392 1.354 1.212 14 HB1 ALA 4 HB1 ALA 4 3.081 4.068 1.109 15 HB2 ALA 4 HB2 ALA 4 4.806 3.784 1.341 16 HB3 ALA 4 HB3 ALA 4 4.029 3.304 -0.167 17 H LYS 5 H LYS 5 5.227 1.057 3.170 18 HA LYS 5 HA LYS 5 3.695 1.025 5.503 19 HB2 LYS 5 HB2 LYS 5 6.604 0.872 4.887 20 HB3 LYS 5 HB3 LYS 5 6.141 1.180 6.555 21 HG2 LYS 5 HG2 LYS 5 4.535 -0.881 6.086 22 HG3 LYS 5 HG3 LYS 5 5.792 -1.252 4.903 23 HD2 LYS 5 HD2 LYS 5 6.234 -0.760 7.848 24 HD3 LYS 5 HD3 LYS 5 6.224 -2.339 7.058 25 HE2 LYS 5 HE2 LYS 5 8.053 -1.193 5.536 26 HE3 LYS 5 HE3 LYS 5 8.257 -0.166 6.955 27 HZ1 LYS 5 HZ1 LYS 5 9.759 -1.958 7.169 28 HZ2 LYS 5 HZ2 LYS 5 8.578 -3.108 6.794 29 HZ3 LYS 5 HZ3 LYS 5 8.505 -2.269 8.261 30 H GLU 6 H GLU 6 4.298 2.285 7.532 31 HA GLU 6 HA GLU 6 3.707 5.010 7.119 32 HB2 GLU 6 HB2 GLU 6 3.072 3.847 9.167 33 HB3 GLU 6 HB3 GLU 6 4.764 3.606 9.579 34 HG2 GLU 6 HG2 GLU 6 5.014 6.090 9.658 35 HG3 GLU 6 HG3 GLU 6 3.266 6.209 9.465 36 H GLY 7 H GLY 7 4.951 6.837 7.161 37 HA2 GLY 7 HA2 GLY 7 6.923 8.089 7.500 38 HA3 GLY 7 HA3 GLY 7 7.821 6.587 7.660 39 H GLU 8 H GLU 8 6.575 5.487 5.202 40 HA GLU 8 HA GLU 8 8.508 6.527 3.352 41 HB2 GLU 8 HB2 GLU 8 6.468 4.334 3.280 42 HB3 GLU 8 HB3 GLU 8 7.221 4.872 1.785 43 HG2 GLU 8 HG2 GLU 8 8.850 4.058 4.164 44 HG3 GLU 8 HG3 GLU 8 8.254 2.881 2.995 45 H VAL 9 H VAL 9 7.939 7.203 1.145 46 HA VAL 9 HA VAL 9 5.867 9.214 1.223 47 HB VAL 9 HB VAL 9 7.642 8.498 -1.110 48 HG11 VAL 9 HG11 VAL 9 7.233 10.873 -1.725 49 HG12 VAL 9 HG12 VAL 9 5.780 9.872 -1.751 50 HG13 VAL 9 HG13 VAL 9 6.071 10.972 -0.403 51 HG21 VAL 9 HG21 VAL 9 8.995 8.976 0.881 52 HG22 VAL 9 HG22 VAL 9 9.161 10.237 -0.341 53 HG23 VAL 9 HG23 VAL 9 8.151 10.513 1.078 54 H CYS 10 H CYS 10 4.139 9.394 -0.254 55 HA CYS 10 HA CYS 10 3.255 6.809 -1.348 56 HB2 CYS 10 HB2 CYS 10 0.997 7.540 -1.058 57 HB3 CYS 10 HB3 CYS 10 1.850 7.894 0.441 58 H SER 11 H SER 11 2.530 6.648 -3.440 59 HA SER 11 HA SER 11 2.897 9.037 -5.128 60 HB2 SER 11 HB2 SER 11 3.798 7.662 -6.878 61 HB3 SER 11 HB3 SER 11 4.674 7.268 -5.399 62 HG SER 11 HG SER 11 3.347 5.623 -6.976 63 H TRP 12 H TRP 12 1.949 8.125 -7.499 64 HA TRP 12 HA TRP 12 -0.858 8.273 -7.127 65 HB2 TRP 12 HB2 TRP 12 0.561 9.056 -9.141 66 HB3 TRP 12 HB3 TRP 12 0.452 7.384 -9.686 67 HD1 TRP 12 HD1 TRP 12 -1.686 10.516 -9.185 68 HE1 TRP 12 HE1 TRP 12 -3.901 10.213 -10.460 69 HE3 TRP 12 HE3 TRP 12 -1.174 5.616 -10.548 70 HZ2 TRP 12 HZ2 TRP 12 -5.253 8.167 -11.858 71 HZ3 TRP 12 HZ3 TRP 12 -2.973 4.560 -11.853 72 HH2 TRP 12 HH2 TRP 12 -4.970 5.811 -12.493 73 H GLY 13 H GLY 13 1.362 5.631 -7.864 74 HA2 GLY 13 HA2 GLY 13 -0.871 3.745 -8.011 75 HA3 GLY 13 HA3 GLY 13 0.807 3.397 -8.401 76 H LYS 14 H LYS 14 1.644 4.744 -5.844 77 HA LYS 14 HA LYS 14 1.113 2.440 -4.100 78 HB2 LYS 14 HB2 LYS 14 3.501 3.404 -4.843 79 HB3 LYS 14 HB3 LYS 14 3.234 4.408 -3.424 80 HG2 LYS 14 HG2 LYS 14 3.479 2.685 -1.986 81 HG3 LYS 14 HG3 LYS 14 2.751 1.516 -3.091 82 HD2 LYS 14 HD2 LYS 14 4.897 0.791 -3.228 83 HD3 LYS 14 HD3 LYS 14 4.987 2.055 -4.456 84 HE2 LYS 14 HE2 LYS 14 5.967 3.586 -2.910 85 HE3 LYS 14 HE3 LYS 14 5.663 2.501 -1.555 86 HZ1 LYS 14 HZ1 LYS 14 7.834 2.031 -1.953 87 HZ2 LYS 14 HZ2 LYS 14 7.742 2.376 -3.606 88 HZ3 LYS 14 HZ3 LYS 14 7.142 0.910 -3.014 89 H LYS 15 H LYS 15 -0.413 2.760 -2.630 90 HA LYS 15 HA LYS 15 -0.793 5.461 -1.535 91 HB2 LYS 15 HB2 LYS 15 -3.019 4.642 -0.819 92 HB3 LYS 15 HB3 LYS 15 -2.787 4.549 -2.560 93 HG2 LYS 15 HG2 LYS 15 -2.082 2.127 -1.039 94 HG3 LYS 15 HG3 LYS 15 -3.794 2.553 -1.077 95 HD2 LYS 15 HD2 LYS 15 -2.089 2.392 -3.553 96 HD3 LYS 15 HD3 LYS 15 -2.991 1.015 -2.917 97 HE2 LYS 15 HE2 LYS 15 -4.875 1.754 -3.835 98 HE3 LYS 15 HE3 LYS 15 -4.685 3.330 -3.069 99 HZ1 LYS 15 HZ1 LYS 15 -4.257 2.590 -5.778 100 HZ2 LYS 15 HZ2 LYS 15 -2.862 3.290 -5.126 101 HZ3 LYS 15 HZ3 LYS 15 -4.328 4.134 -5.089 102 H CYS 16 H CYS 16 -1.605 5.458 0.795 103 HA CYS 16 HA CYS 16 0.373 4.144 2.407 104 HB2 CYS 16 HB2 CYS 16 -0.759 6.503 2.695 105 HB3 CYS 16 HB3 CYS 16 -1.972 5.586 3.583 106 H CYS 17 H CYS 17 0.102 2.528 3.902 107 HA CYS 17 HA CYS 17 -1.930 0.621 3.402 108 HB2 CYS 17 HB2 CYS 17 -0.144 0.738 5.835 109 HB3 CYS 17 HB3 CYS 17 -0.917 -0.683 5.141 110 H ASP 18 H ASP 18 -1.494 3.100 5.854 111 HA ASP 18 HA ASP 18 -4.153 2.424 6.931 112 HB2 ASP 18 HB2 ASP 18 -1.742 3.618 8.302 113 HB3 ASP 18 HB3 ASP 18 -3.354 3.630 9.014 114 H LEU 19 H LEU 19 -4.897 3.763 5.077 115 HA LEU 19 HA LEU 19 -4.349 6.526 4.923 116 HB2 LEU 19 HB2 LEU 19 -6.764 4.980 3.995 117 HB3 LEU 19 HB3 LEU 19 -6.383 6.637 3.534 118 HG LEU 19 HG LEU 19 -4.659 4.248 2.886 119 HD11 LEU 19 HD11 LEU 19 -5.573 4.234 0.721 120 HD12 LEU 19 HD12 LEU 19 -6.419 5.759 0.978 121 HD13 LEU 19 HD13 LEU 19 -6.958 4.301 1.811 122 HD21 LEU 19 HD21 LEU 19 -4.589 6.979 1.639 123 HD22 LEU 19 HD22 LEU 19 -3.383 5.695 1.552 124 HD23 LEU 19 HD23 LEU 19 -3.629 6.574 3.062 125 H ASP 20 H ASP 20 -6.634 4.655 6.790 126 HA ASP 20 HA ASP 20 -8.405 6.681 7.548 127 HB2 ASP 20 HB2 ASP 20 -7.517 4.202 9.033 128 HB3 ASP 20 HB3 ASP 20 -8.849 5.232 9.551 129 H ASN 21 H ASN 21 -5.237 5.806 8.771 130 HA ASN 21 HA ASN 21 -5.439 7.826 10.879 131 HB2 ASN 21 HB2 ASN 21 -3.379 5.686 10.321 132 HB3 ASN 21 HB3 ASN 21 -3.216 6.884 11.602 133 HD21 ASN 21 HD21 ASN 21 -4.073 3.813 11.013 134 HD22 ASN 21 HD22 ASN 21 -5.177 3.546 12.315 135 H PHE 22 H PHE 22 -3.050 6.854 8.412 136 HA PHE 22 HA PHE 22 -1.987 9.573 8.406 137 HB2 PHE 22 HB2 PHE 22 -0.954 7.213 6.833 138 HB3 PHE 22 HB3 PHE 22 -0.098 8.697 7.242 139 HD1 PHE 22 HD1 PHE 22 0.273 5.513 7.809 140 HD2 PHE 22 HD2 PHE 22 -0.687 8.971 10.097 141 HE1 PHE 22 HE1 PHE 22 1.180 4.429 9.823 142 HE2 PHE 22 HE2 PHE 22 0.220 7.893 12.114 143 HZ PHE 22 HZ PHE 22 1.154 5.618 11.979 144 H TYR 23 H TYR 23 -1.512 10.618 6.324 145 HA TYR 23 HA TYR 23 -3.090 9.779 4.041 146 HB2 TYR 23 HB2 TYR 23 -4.337 11.874 3.874 147 HB3 TYR 23 HB3 TYR 23 -4.708 11.055 5.387 148 HD1 TYR 23 HD1 TYR 23 -3.854 14.134 3.931 149 HD2 TYR 23 HD2 TYR 23 -3.232 11.813 7.442 150 HE1 TYR 23 HE1 TYR 23 -3.272 16.177 5.171 151 HE2 TYR 23 HE2 TYR 23 -2.650 13.849 8.692 152 HH TYR 23 HH TYR 23 -1.763 16.149 8.155 153 H CYS 24 H CYS 24 -2.879 11.570 2.265 154 HA CYS 24 HA CYS 24 -0.052 12.388 2.229 155 HB2 CYS 24 HB2 CYS 24 -1.919 11.820 -0.083 156 HB3 CYS 24 HB3 CYS 24 -0.236 12.312 -0.231 157 HA PRO 25 HA PRO 25 -2.258 16.394 2.466 158 HB2 PRO 25 HB2 PRO 25 -0.229 17.667 3.746 159 HB3 PRO 25 HB3 PRO 25 -1.437 16.692 4.592 160 HG2 PRO 25 HG2 PRO 25 1.345 15.960 3.761 161 HG3 PRO 25 HG3 PRO 25 0.507 15.622 5.287 162 HD2 PRO 25 HD2 PRO 25 0.770 13.771 3.329 163 HD3 PRO 25 HD3 PRO 25 -0.640 13.827 4.406 164 H MET 26 H MET 26 -1.840 18.388 1.419 165 HA MET 26 HA MET 26 -0.358 18.187 -0.976 166 HB2 MET 26 HB2 MET 26 -1.790 20.420 0.421 167 HB3 MET 26 HB3 MET 26 -0.803 20.759 -0.994 168 HG2 MET 26 HG2 MET 26 -3.028 18.738 -0.962 169 HG3 MET 26 HG3 MET 26 -3.237 20.421 -1.439 170 HE1 MET 26 HE1 MET 26 -1.622 16.873 -2.678 171 HE2 MET 26 HE2 MET 26 -3.337 17.276 -2.596 172 HE3 MET 26 HE3 MET 26 -2.534 17.149 -4.162 173 H GLU 27 H GLU 27 1.804 17.934 -0.818 174 HA GLU 27 HA GLU 27 3.387 20.189 -0.044 175 HB2 GLU 27 HB2 GLU 27 4.722 19.049 1.674 176 HB3 GLU 27 HB3 GLU 27 3.043 19.220 2.166 177 HG2 GLU 27 HG2 GLU 27 2.735 16.840 1.283 178 HG3 GLU 27 HG3 GLU 27 4.495 16.751 1.295 179 H PHE 28 H PHE 28 5.777 19.675 -0.293 180 HA PHE 28 HA PHE 28 6.307 18.721 -2.826 181 HB2 PHE 28 HB2 PHE 28 8.152 18.878 -0.436 182 HB3 PHE 28 HB3 PHE 28 8.695 18.591 -2.086 183 HD1 PHE 28 HD1 PHE 28 7.809 21.043 0.353 184 HD2 PHE 28 HD2 PHE 28 8.199 20.364 -3.830 185 HE1 PHE 28 HE1 PHE 28 7.911 23.471 -0.028 186 HE2 PHE 28 HE2 PHE 28 8.303 22.791 -4.218 187 HZ PHE 28 HZ PHE 28 8.160 24.349 -2.315 188 H ILE 29 H ILE 29 6.996 17.021 0.234 189 HA ILE 29 HA ILE 29 6.763 14.482 -1.244 190 HB ILE 29 HB ILE 29 8.575 14.921 1.126 191 HG12 ILE 29 HG12 ILE 29 10.302 14.551 -0.891 192 HG13 ILE 29 HG13 ILE 29 9.012 15.349 -1.784 193 HG21 ILE 29 HG21 ILE 29 7.843 12.626 0.807 194 HG22 ILE 29 HG22 ILE 29 8.365 12.677 -0.876 195 HG23 ILE 29 HG23 ILE 29 9.555 12.786 0.420 196 HD11 ILE 29 HD11 ILE 29 9.239 16.967 0.379 197 HD12 ILE 29 HD12 ILE 29 10.905 16.428 0.164 198 HD13 ILE 29 HD13 ILE 29 10.055 17.221 -1.163 199 HA PRO 30 HA PRO 30 3.500 14.169 1.874 200 HB2 PRO 30 HB2 PRO 30 2.191 12.159 0.604 201 HB3 PRO 30 HB3 PRO 30 2.015 13.858 0.149 202 HG2 PRO 30 HG2 PRO 30 3.709 11.728 -1.099 203 HG3 PRO 30 HG3 PRO 30 2.707 12.964 -1.883 204 HD2 PRO 30 HD2 PRO 30 5.392 13.209 -1.633 205 HD3 PRO 30 HD3 PRO 30 4.299 14.608 -1.610 206 H HIS 31 H HIS 31 3.962 13.137 3.706 207 HA HIS 31 HA HIS 31 5.059 10.407 3.551 208 HB2 HIS 31 HB2 HIS 31 5.356 12.366 5.834 209 HB3 HIS 31 HB3 HIS 31 6.152 10.804 5.672 210 HD1 HIS 31 HD1 HIS 31 6.907 14.215 5.366 211 HD2 HIS 31 HD2 HIS 31 7.753 10.880 3.037 212 HE1 HIS 31 HE1 HIS 31 8.885 14.865 3.956 213 H CYS 32 H CYS 32 4.252 8.817 4.931 214 HA CYS 32 HA CYS 32 1.484 9.096 5.602 215 HB2 CYS 32 HB2 CYS 32 3.501 6.882 5.863 216 HB3 CYS 32 HB3 CYS 32 1.908 6.739 6.599 217 H LYS 33 H LYS 33 1.870 10.933 7.104 218 HA LYS 33 HA LYS 33 2.636 9.988 9.788 219 HB2 LYS 33 HB2 LYS 33 3.267 12.218 10.351 220 HB3 LYS 33 HB3 LYS 33 4.002 11.856 8.794 221 HG2 LYS 33 HG2 LYS 33 2.298 13.128 7.650 222 HG3 LYS 33 HG3 LYS 33 1.454 13.417 9.173 223 HD2 LYS 33 HD2 LYS 33 2.631 15.377 8.961 224 HD3 LYS 33 HD3 LYS 33 3.773 14.413 9.901 225 HE2 LYS 33 HE2 LYS 33 4.910 13.783 7.797 226 HE3 LYS 33 HE3 LYS 33 3.809 14.840 6.915 227 HZ1 LYS 33 HZ1 LYS 33 5.396 16.361 7.243 228 HZ2 LYS 33 HZ2 LYS 33 6.117 15.508 8.513 229 HZ3 LYS 33 HZ3 LYS 33 4.768 16.484 8.809 230 H LYS 34 H LYS 34 1.332 10.529 11.556 231 HA LYS 34 HA LYS 34 -1.460 10.619 11.010 232 HB2 LYS 34 HB2 LYS 34 -0.074 9.637 13.054 233 HB3 LYS 34 HB3 LYS 34 -0.415 11.221 13.736 234 HG2 LYS 34 HG2 LYS 34 -2.631 10.801 13.966 235 HG3 LYS 34 HG3 LYS 34 -2.691 9.743 12.555 236 HD2 LYS 34 HD2 LYS 34 -3.049 8.466 14.594 237 HD3 LYS 34 HD3 LYS 34 -1.527 7.996 13.832 238 HE2 LYS 34 HE2 LYS 34 -0.261 8.876 15.505 239 HE3 LYS 34 HE3 LYS 34 -1.418 10.160 15.853 240 HZ1 LYS 34 HZ1 LYS 34 -1.672 8.838 17.678 241 HZ2 LYS 34 HZ2 LYS 34 -1.352 7.402 16.844 242 HZ3 LYS 34 HZ3 LYS 34 -2.854 8.160 16.675 243 H TYR 35 H TYR 35 -2.971 12.226 11.703 244 HA TYR 35 HA TYR 35 -2.358 14.821 10.911 245 HB2 TYR 35 HB2 TYR 35 -4.616 13.588 12.434 246 HB3 TYR 35 HB3 TYR 35 -4.510 15.343 12.346 247 HD1 TYR 35 HD1 TYR 35 -5.127 12.268 10.467 248 HD2 TYR 35 HD2 TYR 35 -4.808 16.504 10.223 249 HE1 TYR 35 HE1 TYR 35 -6.201 12.215 8.256 250 HE2 TYR 35 HE2 TYR 35 -5.883 16.462 8.011 251 HH TYR 35 HH TYR 35 -7.068 15.177 6.563 252 H LYS 36 H LYS 36 -2.343 16.802 12.166 253 HA LYS 36 HA LYS 36 -0.518 16.665 14.346 254 HB2 LYS 36 HB2 LYS 36 -1.983 18.854 12.930 255 HB3 LYS 36 HB3 LYS 36 -1.222 19.202 14.477 256 HG2 LYS 36 HG2 LYS 36 0.466 19.765 13.053 257 HG3 LYS 36 HG3 LYS 36 0.859 18.069 13.347 258 HD2 LYS 36 HD2 LYS 36 1.008 18.201 11.044 259 HD3 LYS 36 HD3 LYS 36 -0.651 17.640 11.268 260 HE2 LYS 36 HE2 LYS 36 -0.902 19.348 9.725 261 HE3 LYS 36 HE3 LYS 36 -1.244 20.161 11.251 262 HZ1 LYS 36 HZ1 LYS 36 0.218 21.618 10.319 263 HZ2 LYS 36 HZ2 LYS 36 1.077 20.424 9.484 264 HZ3 LYS 36 HZ3 LYS 36 1.316 20.631 11.145 265 HA PRO 37 HA PRO 37 -3.138 16.533 17.862 266 HB2 PRO 37 HB2 PRO 37 -1.902 18.241 19.572 267 HB3 PRO 37 HB3 PRO 37 -1.245 16.653 19.158 268 HG2 PRO 37 HG2 PRO 37 -0.515 19.346 18.074 269 HG3 PRO 37 HG3 PRO 37 0.545 18.005 18.545 270 HD2 PRO 37 HD2 PRO 37 -0.096 18.519 15.965 271 HD3 PRO 37 HD3 PRO 37 0.204 16.875 16.565 272 H TYR 38 H TYR 38 -4.527 17.814 19.304 273 HA TYR 38 HA TYR 38 -6.041 19.716 17.903 274 HB2 TYR 38 HB2 TYR 38 -7.296 20.000 19.954 275 HB3 TYR 38 HB3 TYR 38 -6.912 18.295 19.746 276 HD1 TYR 38 HD1 TYR 38 -6.321 21.288 21.755 277 HD2 TYR 38 HD2 TYR 38 -5.298 17.193 21.212 278 HE1 TYR 38 HE1 TYR 38 -5.318 21.246 24.000 279 HE2 TYR 38 HE2 TYR 38 -4.294 17.140 23.456 280 HH TYR 38 HH TYR 38 -3.409 18.595 25.111 281 H VAL 39 H VAL 39 -6.170 21.926 18.000 282 HA VAL 39 HA VAL 39 -3.773 23.306 18.816 283 HB VAL 39 HB VAL 39 -6.326 24.418 17.644 284 HG11 VAL 39 HG11 VAL 39 -5.037 26.397 17.137 285 HG12 VAL 39 HG12 VAL 39 -4.956 26.070 18.869 286 HG13 VAL 39 HG13 VAL 39 -3.588 25.669 17.829 287 HG21 VAL 39 HG21 VAL 39 -4.445 24.584 15.690 288 HG22 VAL 39 HG22 VAL 39 -4.005 23.063 16.466 289 HG23 VAL 39 HG23 VAL 39 -5.633 23.289 15.828 290 HA PRO 40 HA PRO 40 -5.225 24.435 22.838 291 HB2 PRO 40 HB2 PRO 40 -3.363 26.342 23.358 292 HB3 PRO 40 HB3 PRO 40 -3.007 24.611 23.410 293 HG2 PRO 40 HG2 PRO 40 -2.466 26.591 21.231 294 HG3 PRO 40 HG3 PRO 40 -1.419 25.305 21.859 295 HD2 PRO 40 HD2 PRO 40 -2.834 25.042 19.565 296 HD3 PRO 40 HD3 PRO 40 -2.483 23.668 20.633 297 H VAL 41 H VAL 41 -6.873 25.719 23.360 298 HA VAL 41 HA VAL 41 -7.762 27.837 21.724 299 HB VAL 41 HB VAL 41 -8.536 27.345 24.601 300 HG11 VAL 41 HG11 VAL 41 -10.020 28.977 24.339 301 HG12 VAL 41 HG12 VAL 41 -9.274 29.350 22.784 302 HG13 VAL 41 HG13 VAL 41 -10.640 28.237 22.864 303 HG21 VAL 41 HG21 VAL 41 -9.460 26.040 22.057 304 HG22 VAL 41 HG22 VAL 41 -8.880 25.275 23.537 305 HG23 VAL 41 HG23 VAL 41 -10.455 26.069 23.514 306 H THR 42 H THR 42 -7.444 29.989 21.790 307 HA THR 42 HA THR 42 -5.438 30.989 23.666 308 HB THR 42 HB THR 42 -5.113 31.408 21.244 309 HG1 THR 42 HG1 THR 42 -4.068 33.011 22.157 310 HG21 THR 42 HG21 THR 42 -6.613 32.469 19.918 311 HG22 THR 42 HG22 THR 42 -7.164 33.533 21.212 312 HG23 THR 42 HG23 THR 42 -7.765 31.878 21.115 313 H THR 43 H THR 43 -5.729 33.139 24.619 314 HA THR 43 HA THR 43 -8.213 33.338 25.978 315 HB THR 43 HB THR 43 -7.234 35.601 26.737 316 HG1 THR 43 HG1 THR 43 -4.898 35.639 26.383 317 HG21 THR 43 HG21 THR 43 -6.940 33.056 27.668 318 HG22 THR 43 HG22 THR 43 -6.359 34.500 28.497 319 HG23 THR 43 HG23 THR 43 -5.260 33.561 27.487 320 H SER 44 H SER 44 -9.570 35.291 26.040 321 HA SER 44 HA SER 44 -10.335 36.054 23.374 322 HB2 SER 44 HB2 SER 44 -11.435 36.885 26.070 323 HB3 SER 44 HB3 SER 44 -12.165 37.285 24.515 324 HG SER 44 HG SER 44 -12.400 35.034 24.145 325 H PHE 45 H PHE 45 -10.123 38.008 22.391 326 HA PHE 45 HA PHE 45 -8.265 39.887 23.645 327 HB2 PHE 45 HB2 PHE 45 -9.157 39.479 20.793 328 HB3 PHE 45 HB3 PHE 45 -8.210 40.876 21.294 329 HD1 PHE 45 HD1 PHE 45 -8.155 37.373 20.454 330 HD2 PHE 45 HD2 PHE 45 -5.924 40.540 22.217 331 HE1 PHE 45 HE1 PHE 45 -6.091 36.060 20.192 332 HE2 PHE 45 HE2 PHE 45 -3.856 39.232 21.957 333 HZ PHE 45 HZ PHE 45 -3.938 36.988 20.945 334 H ASN 46 H ASN 46 -8.646 42.216 23.355 335 HA ASN 46 HA ASN 46 -11.308 43.136 22.804 336 HB2 ASN 46 HB2 ASN 46 -11.831 43.976 25.020 337 HB3 ASN 46 HB3 ASN 46 -11.561 42.238 25.106 338 HD21 ASN 46 HD21 ASN 46 -9.362 41.558 25.746 339 HD22 ASN 46 HD22 ASN 46 -8.541 42.500 26.940 340 H CYS 47 H CYS 47 -11.306 45.242 22.228 341 HA CYS 47 HA CYS 47 -8.877 46.570 21.762 342 HB2 CYS 47 HB2 CYS 47 -10.322 48.542 21.227 343 HB3 CYS 47 HB3 CYS 47 -10.791 47.065 20.392 344 H ALA 48 H ALA 48 -8.372 48.805 22.560 345 HA ALA 48 HA ALA 48 -8.314 48.763 25.450 346 HB1 ALA 48 HB1 ALA 48 -6.788 50.639 25.259 347 HB2 ALA 48 HB2 ALA 48 -6.309 49.348 24.156 348 HB3 ALA 48 HB3 ALA 48 -7.139 50.775 23.536 349 H LYS 49 H LYS 49 -9.967 49.542 26.575 350 HA LYS 49 HA LYS 49 -11.830 51.423 25.471 351 HB2 LYS 49 HB2 LYS 49 -11.583 50.441 28.320 352 HB3 LYS 49 HB3 LYS 49 -12.977 51.246 27.611 353 HG2 LYS 49 HG2 LYS 49 -13.146 49.321 26.008 354 HG3 LYS 49 HG3 LYS 49 -11.920 48.504 26.981 355 HD2 LYS 49 HD2 LYS 49 -14.470 49.580 28.160 356 HD3 LYS 49 HD3 LYS 49 -14.345 47.948 27.499 357 HE2 LYS 49 HE2 LYS 49 -12.493 49.011 29.620 358 HE3 LYS 49 HE3 LYS 49 -13.997 48.170 29.993 359 HZ1 LYS 49 HZ1 LYS 49 -12.845 46.484 28.258 360 HZ2 LYS 49 HZ2 LYS 49 -12.700 46.362 29.938 361 HZ3 LYS 49 HZ3 LYS 49 -11.482 47.114 29.038 362 H GLU 50 H GLU 50 -12.451 53.417 26.701 363 HA GLU 50 HA GLU 50 -10.429 55.280 26.732 364 HB2 GLU 50 HB2 GLU 50 -12.858 55.798 26.719 365 HB3 GLU 50 HB3 GLU 50 -12.934 55.368 28.421 366 HG2 GLU 50 HG2 GLU 50 -11.065 57.492 27.448 367 HG3 GLU 50 HG3 GLU 50 -12.760 57.845 27.781 368 H GLY 51 H GLY 51 -8.742 55.630 28.010 369 HA2 GLY 51 HA2 GLY 51 -7.909 56.114 30.238 370 HA3 GLY 51 HA3 GLY 51 -8.938 54.824 30.842 371 H GLU 52 H GLU 52 -8.204 53.039 28.604 372 HA GLU 52 HA GLU 52 -6.040 51.721 29.838 373 HB2 GLU 52 HB2 GLU 52 -7.202 51.370 27.069 374 HB3 GLU 52 HB3 GLU 52 -6.065 50.264 27.825 375 HG2 GLU 52 HG2 GLU 52 -8.785 50.928 28.923 376 HG3 GLU 52 HG3 GLU 52 -8.415 49.513 27.940 377 H VAL 53 H VAL 53 -3.903 51.409 29.149 378 HA VAL 53 HA VAL 53 -2.729 53.723 27.881 379 HB VAL 53 HB VAL 53 -1.328 51.228 28.844 380 HG11 VAL 53 HG11 VAL 53 0.130 52.456 27.456 381 HG12 VAL 53 HG12 VAL 53 -0.397 53.998 28.134 382 HG13 VAL 53 HG13 VAL 53 0.571 52.890 29.107 383 HG21 VAL 53 HG21 VAL 53 -2.468 52.030 30.739 384 HG22 VAL 53 HG22 VAL 53 -0.836 52.685 30.873 385 HG23 VAL 53 HG23 VAL 53 -2.156 53.714 30.317 386 H CYS 54 H CYS 54 -1.429 53.708 26.021 387 HA CYS 54 HA CYS 54 -1.812 51.378 24.258 388 HB2 CYS 54 HB2 CYS 54 -1.630 54.238 23.311 389 HB3 CYS 54 HB3 CYS 54 -2.102 52.821 22.379 390 H GLY 55 H GLY 55 -0.130 50.920 22.767 391 HA2 GLY 55 HA2 GLY 55 2.119 52.037 22.028 392 HA3 GLY 55 HA3 GLY 55 2.489 51.818 23.732 393 H TRP 56 H TRP 56 1.785 49.429 24.442 394 HA TRP 56 HA TRP 56 3.544 47.710 22.962 395 HB2 TRP 56 HB2 TRP 56 1.891 47.389 25.453 396 HB3 TRP 56 HB3 TRP 56 2.682 46.002 24.710 397 HD1 TRP 56 HD1 TRP 56 5.464 46.273 24.446 398 HE1 TRP 56 HE1 TRP 56 7.121 47.331 26.107 399 HE3 TRP 56 HE3 TRP 56 2.186 49.084 27.183 400 HZ2 TRP 56 HZ2 TRP 56 7.048 49.119 28.290 401 HZ3 TRP 56 HZ3 TRP 56 3.061 50.439 29.041 402 HH2 TRP 56 HH2 TRP 56 5.441 50.455 29.582 403 H GLY 57 H GLY 57 1.945 48.157 21.036 404 HA2 GLY 57 HA2 GLY 57 0.566 47.183 19.480 405 HA3 GLY 57 HA3 GLY 57 0.744 45.690 20.391 406 H SER 58 H SER 58 -0.580 48.652 21.726 407 HA SER 58 HA SER 58 -3.202 47.315 21.892 408 HB2 SER 58 HB2 SER 58 -1.588 48.759 23.893 409 HB3 SER 58 HB3 SER 58 -3.297 49.193 23.870 410 HG SER 58 HG SER 58 -3.819 47.243 24.545 411 H LYS 59 H LYS 59 -4.855 48.281 20.920 412 HA LYS 59 HA LYS 59 -4.596 51.133 20.223 413 HB2 LYS 59 HB2 LYS 59 -6.305 50.297 18.343 414 HB3 LYS 59 HB3 LYS 59 -4.561 50.270 18.117 415 HG2 LYS 59 HG2 LYS 59 -5.490 48.187 17.377 416 HG3 LYS 59 HG3 LYS 59 -4.540 47.908 18.838 417 HD2 LYS 59 HD2 LYS 59 -6.653 46.673 18.892 418 HD3 LYS 59 HD3 LYS 59 -6.581 47.885 20.174 419 HE2 LYS 59 HE2 LYS 59 -8.265 49.104 19.292 420 HE3 LYS 59 HE3 LYS 59 -7.761 48.791 17.632 421 HZ1 LYS 59 HZ1 LYS 59 -9.942 47.743 18.708 422 HZ2 LYS 59 HZ2 LYS 59 -8.838 46.523 19.099 423 HZ3 LYS 59 HZ3 LYS 59 -9.062 46.974 17.484 424 H CYS 60 H CYS 60 -6.617 52.315 20.034 425 HA CYS 60 HA CYS 60 -8.455 51.570 22.141 426 HB2 CYS 60 HB2 CYS 60 -8.426 54.005 20.344 427 HB3 CYS 60 HB3 CYS 60 -9.439 53.791 21.768 428 H CYS 61 H CYS 61 -10.796 51.651 21.832 429 HA CYS 61 HA CYS 61 -11.611 50.013 19.657 430 HB2 CYS 61 HB2 CYS 61 -13.428 51.564 21.504 431 HB3 CYS 61 HB3 CYS 61 -13.796 50.082 20.627 432 H HIS 62 H HIS 62 -13.613 50.625 18.341 433 HA HIS 62 HA HIS 62 -12.975 52.687 16.583 434 HB2 HIS 62 HB2 HIS 62 -15.286 52.389 15.700 435 HB3 HIS 62 HB3 HIS 62 -14.414 50.872 15.892 436 HD1 HIS 62 HD1 HIS 62 -17.444 52.661 16.973 437 HD2 HIS 62 HD2 HIS 62 -15.315 49.278 18.106 438 HE1 HIS 62 HE1 HIS 62 -18.995 51.358 18.463 439 H GLY 63 H GLY 63 -13.002 54.808 16.894 440 HA2 GLY 63 HA2 GLY 63 -14.364 56.792 17.206 441 HA3 GLY 63 HA3 GLY 63 -15.192 55.951 18.508 442 H LEU 64 H LEU 64 -12.503 54.906 19.429 443 HA LEU 64 HA LEU 64 -11.772 57.309 20.947 444 HB2 LEU 64 HB2 LEU 64 -11.353 54.378 21.492 445 HB3 LEU 64 HB3 LEU 64 -10.651 55.662 22.475 446 HG LEU 64 HG LEU 64 -13.602 55.640 22.082 447 HD11 LEU 64 HD11 LEU 64 -13.953 54.053 23.836 448 HD12 LEU 64 HD12 LEU 64 -12.218 53.871 24.089 449 HD13 LEU 64 HD13 LEU 64 -12.957 53.291 22.596 450 HD21 LEU 64 HD21 LEU 64 -12.979 56.109 24.721 451 HD22 LEU 64 HD22 LEU 64 -13.270 57.339 23.491 452 HD23 LEU 64 HD23 LEU 64 -11.621 56.828 23.854 453 H ASP 65 H ASP 65 -9.510 57.691 21.426 454 HA ASP 65 HA ASP 65 -7.557 56.404 19.698 455 HB2 ASP 65 HB2 ASP 65 -8.659 58.459 18.535 456 HB3 ASP 65 HB3 ASP 65 -7.674 59.403 19.649 457 H CYS 66 H CYS 66 -5.326 57.096 20.207 458 HA CYS 66 HA CYS 66 -5.107 57.909 23.031 459 HB2 CYS 66 HB2 CYS 66 -4.047 55.635 21.608 460 HB3 CYS 66 HB3 CYS 66 -2.733 56.600 22.273 461 HA PRO 67 HA PRO 67 -2.778 61.397 21.679 462 HB2 PRO 67 HB2 PRO 67 -1.520 61.972 24.016 463 HB3 PRO 67 HB3 PRO 67 -3.235 62.303 23.741 464 HG2 PRO 67 HG2 PRO 67 -1.956 60.010 25.178 465 HG3 PRO 67 HG3 PRO 67 -3.380 60.962 25.635 466 HD2 PRO 67 HD2 PRO 67 -3.570 58.517 24.486 467 HD3 PRO 67 HD3 PRO 67 -4.772 59.796 24.215 468 H LEU 68 H LEU 68 -0.519 62.194 21.599 469 HA LEU 68 HA LEU 68 1.314 59.948 21.215 470 HB2 LEU 68 HB2 LEU 68 1.430 62.818 20.307 471 HB3 LEU 68 HB3 LEU 68 2.701 61.634 20.009 472 HG LEU 68 HG LEU 68 -0.126 61.328 19.008 473 HD11 LEU 68 HD11 LEU 68 2.109 62.074 17.202 474 HD12 LEU 68 HD12 LEU 68 1.371 63.343 18.179 475 HD13 LEU 68 HD13 LEU 68 0.381 62.401 17.065 476 HD21 LEU 68 HD21 LEU 68 0.657 59.537 17.756 477 HD22 LEU 68 HD22 LEU 68 1.495 59.339 19.296 478 HD23 LEU 68 HD23 LEU 68 2.343 60.033 17.913 479 H ALA 69 H ALA 69 2.102 59.503 23.237 480 HA ALA 69 HA ALA 69 4.157 61.238 24.220 481 HB1 ALA 69 HB1 ALA 69 3.245 61.580 26.460 482 HB2 ALA 69 HB2 ALA 69 2.223 62.329 25.232 483 HB3 ALA 69 HB3 ALA 69 1.739 60.802 25.970 484 H PHE 70 H PHE 70 4.730 60.270 26.623 485 HA PHE 70 HA PHE 70 5.859 57.774 26.145 486 HB2 PHE 70 HB2 PHE 70 5.176 58.946 28.848 487 HB3 PHE 70 HB3 PHE 70 6.391 57.716 28.516 488 HD1 PHE 70 HD1 PHE 70 5.907 61.094 29.142 489 HD2 PHE 70 HD2 PHE 70 8.167 58.470 26.667 490 HE1 PHE 70 HE1 PHE 70 7.594 62.856 28.821 491 HE2 PHE 70 HE2 PHE 70 9.858 60.228 26.342 492 HZ PHE 70 HZ PHE 70 9.572 62.424 27.418 493 H ILE 71 H ILE 71 3.253 58.401 28.499 494 HA ILE 71 HA ILE 71 2.185 55.726 27.873 495 HB ILE 71 HB ILE 71 1.948 57.140 30.528 496 HG12 ILE 71 HG12 ILE 71 3.514 54.931 30.964 497 HG13 ILE 71 HG13 ILE 71 4.091 55.478 29.393 498 HG21 ILE 71 HG21 ILE 71 0.739 55.380 31.266 499 HG22 ILE 71 HG22 ILE 71 0.350 55.216 29.554 500 HG23 ILE 71 HG23 ILE 71 1.617 54.219 30.270 501 HD11 ILE 71 HD11 ILE 71 3.934 57.789 30.917 502 HD12 ILE 71 HD12 ILE 71 4.574 56.566 32.016 503 HD13 ILE 71 HD13 ILE 71 5.392 56.894 30.488 504 HA PRO 72 HA PRO 72 -1.086 58.769 26.745 505 HB2 PRO 72 HB2 PRO 72 -1.954 57.357 24.595 506 HB3 PRO 72 HB3 PRO 72 -0.600 58.491 24.517 507 HG2 PRO 72 HG2 PRO 72 -0.562 55.508 24.764 508 HG3 PRO 72 HG3 PRO 72 0.443 56.559 23.749 509 HD2 PRO 72 HD2 PRO 72 1.323 55.520 26.089 510 HD3 PRO 72 HD3 PRO 72 1.851 57.105 25.490 511 H TYR 73 H TYR 73 -3.449 58.365 26.425 512 HA TYR 73 HA TYR 73 -4.401 55.819 27.493 513 HB2 TYR 73 HB2 TYR 73 -5.300 58.441 28.691 514 HB3 TYR 73 HB3 TYR 73 -5.704 56.818 29.238 515 HD1 TYR 73 HD1 TYR 73 -3.686 55.341 29.996 516 HD2 TYR 73 HD2 TYR 73 -3.560 59.585 29.713 517 HE1 TYR 73 HE1 TYR 73 -1.773 55.382 31.542 518 HE2 TYR 73 HE2 TYR 73 -1.646 59.637 31.257 519 HH TYR 73 HH TYR 73 -0.842 57.477 33.261 520 H CYS 74 H CYS 74 -6.205 55.150 26.511 521 HA CYS 74 HA CYS 74 -7.239 56.337 24.249 522 HB2 CYS 74 HB2 CYS 74 -8.425 54.349 26.175 523 HB3 CYS 74 HB3 CYS 74 -9.300 54.875 24.741 524 H GLU 75 H GLU 75 -8.958 57.662 23.778 525 HA GLU 75 HA GLU 75 -10.764 58.591 25.807 526 HB2 GLU 75 HB2 GLU 75 -10.120 60.959 25.685 527 HB3 GLU 75 HB3 GLU 75 -8.829 59.969 26.352 528 HG2 GLU 75 HG2 GLU 75 -7.941 59.919 23.924 529 HG3 GLU 75 HG3 GLU 75 -8.993 61.314 23.691 530 H LYS 76 H LYS 76 -12.540 59.691 24.964 531 HA LYS 76 HA LYS 76 -13.389 59.038 22.425 532 HB2 LYS 76 HB2 LYS 76 -14.218 61.334 24.202 533 HB3 LYS 76 HB3 LYS 76 -15.063 60.907 22.720 534 HG2 LYS 76 HG2 LYS 76 -14.655 58.996 25.006 535 HG3 LYS 76 HG3 LYS 76 -16.081 60.021 24.825 536 HD2 LYS 76 HD2 LYS 76 -16.674 58.955 22.772 537 HD3 LYS 76 HD3 LYS 76 -15.141 58.083 22.717 538 HE2 LYS 76 HE2 LYS 76 -15.835 56.987 24.886 539 HE3 LYS 76 HE3 LYS 76 -17.432 57.688 24.630 540 HZ1 LYS 76 HZ1 LYS 76 -17.145 56.539 22.306 541 HZ2 LYS 76 HZ2 LYS 76 -17.709 55.672 23.644 542 HZ3 LYS 76 HZ3 LYS 76 -16.091 55.535 23.168 543 H TYR 77 H TYR 77 -12.698 59.631 20.489 544 HA TYR 77 HA TYR 77 -10.785 61.553 19.956 545 HB2 TYR 77 HB2 TYR 77 -11.706 59.656 18.456 546 HB3 TYR 77 HB3 TYR 77 -12.894 60.844 17.932 547 HD1 TYR 77 HD1 TYR 77 -11.731 63.226 17.331 548 HD2 TYR 77 HD2 TYR 77 -9.867 59.408 17.099 549 HE1 TYR 77 HE1 TYR 77 -10.124 64.117 15.696 550 HE2 TYR 77 HE2 TYR 77 -8.254 60.289 15.464 551 HH TYR 77 HH TYR 77 -7.869 63.605 14.864 552 H ARG 78 H ARG 78 -10.838 63.683 20.137 553 HA ARG 78 HA ARG 78 -13.377 65.088 20.217 554 HB2 ARG 78 HB2 ARG 78 -11.298 65.460 21.751 555 HB3 ARG 78 HB3 ARG 78 -10.701 66.427 20.409 556 HG2 ARG 78 HG2 ARG 78 -12.928 67.672 20.549 557 HG3 ARG 78 HG3 ARG 78 -13.116 66.890 22.120 558 HD2 ARG 78 HD2 ARG 78 -12.085 68.819 22.772 559 HD3 ARG 78 HD3 ARG 78 -10.669 67.810 22.479 560 HE ARG 78 HE ARG 78 -10.108 69.170 20.725 561 HH11 ARG 78 HH11 ARG 78 -13.420 69.766 21.617 562 HH12 ARG 78 HH12 ARG 78 -13.590 71.139 20.574 563 HH21 ARG 78 HH21 ARG 78 -10.319 70.976 19.348 564 HH22 ARG 78 HH22 ARG 78 -11.825 71.826 19.284 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -4.209 -3.230 -3.057 2 HA2 GLY 1 HA2 GLY 1 -1.713 -3.216 -3.829 3 HA3 GLY 1 HA3 GLY 1 -2.542 -1.675 -3.664 4 H ASP 2 H ASP 2 0.110 -1.590 -3.475 5 HA ASP 2 HA ASP 2 1.117 -1.974 -0.838 6 HB2 ASP 2 HB2 ASP 2 2.207 -0.227 -3.055 7 HB3 ASP 2 HB3 ASP 2 3.086 -0.757 -1.623 8 H CYS 3 H CYS 3 2.329 0.133 0.094 9 HA CYS 3 HA CYS 3 0.951 2.597 -0.048 10 HB2 CYS 3 HB2 CYS 3 -0.117 2.582 2.171 11 HB3 CYS 3 HB3 CYS 3 -0.824 1.375 1.102 12 H ALA 4 H ALA 4 1.641 4.092 1.755 13 HA ALA 4 HA ALA 4 4.448 3.542 2.377 14 HB1 ALA 4 HB1 ALA 4 4.727 5.897 2.645 15 HB2 ALA 4 HB2 ALA 4 3.808 5.631 1.163 16 HB3 ALA 4 HB3 ALA 4 2.983 6.162 2.629 17 H LYS 5 H LYS 5 5.303 3.769 4.449 18 HA LYS 5 HA LYS 5 3.473 3.124 6.580 19 HB2 LYS 5 HB2 LYS 5 6.456 3.598 6.707 20 HB3 LYS 5 HB3 LYS 5 5.468 2.829 7.942 21 HG2 LYS 5 HG2 LYS 5 5.620 1.700 5.175 22 HG3 LYS 5 HG3 LYS 5 6.866 1.349 6.376 23 HD2 LYS 5 HD2 LYS 5 5.495 -0.376 6.882 24 HD3 LYS 5 HD3 LYS 5 4.658 0.852 7.834 25 HE2 LYS 5 HE2 LYS 5 2.896 -0.006 6.657 26 HE3 LYS 5 HE3 LYS 5 3.403 1.274 5.555 27 HZ1 LYS 5 HZ1 LYS 5 3.436 -0.365 4.054 28 HZ2 LYS 5 HZ2 LYS 5 3.497 -1.590 5.218 29 HZ3 LYS 5 HZ3 LYS 5 4.916 -0.796 4.751 30 H GLU 6 H GLU 6 4.017 4.238 8.794 31 HA GLU 6 HA GLU 6 3.121 6.902 8.610 32 HB2 GLU 6 HB2 GLU 6 2.802 5.323 10.558 33 HB3 GLU 6 HB3 GLU 6 4.472 5.647 11.000 34 HG2 GLU 6 HG2 GLU 6 4.013 7.916 11.458 35 HG3 GLU 6 HG3 GLU 6 2.424 7.821 10.701 36 H GLY 7 H GLY 7 4.168 8.784 8.425 37 HA2 GLY 7 HA2 GLY 7 5.936 10.303 8.793 38 HA3 GLY 7 HA3 GLY 7 6.997 8.947 9.144 39 H GLU 8 H GLU 8 6.102 7.510 6.708 40 HA GLU 8 HA GLU 8 8.098 8.464 4.948 41 HB2 GLU 8 HB2 GLU 8 5.917 6.412 4.703 42 HB3 GLU 8 HB3 GLU 8 6.918 6.831 3.320 43 HG2 GLU 8 HG2 GLU 8 8.860 6.373 5.062 44 HG3 GLU 8 HG3 GLU 8 7.615 5.364 5.797 45 H VAL 9 H VAL 9 7.778 9.156 2.716 46 HA VAL 9 HA VAL 9 5.831 11.273 2.567 47 HB VAL 9 HB VAL 9 7.726 10.352 0.404 48 HG11 VAL 9 HG11 VAL 9 6.263 12.947 0.871 49 HG12 VAL 9 HG12 VAL 9 7.500 12.700 -0.363 50 HG13 VAL 9 HG13 VAL 9 5.989 11.793 -0.434 51 HG21 VAL 9 HG21 VAL 9 8.145 12.189 2.742 52 HG22 VAL 9 HG22 VAL 9 9.137 10.830 2.215 53 HG23 VAL 9 HG23 VAL 9 9.111 12.320 1.272 54 H CYS 10 H CYS 10 4.206 11.509 1.000 55 HA CYS 10 HA CYS 10 3.288 8.968 -0.174 56 HB2 CYS 10 HB2 CYS 10 1.033 9.713 0.084 57 HB3 CYS 10 HB3 CYS 10 1.846 9.999 1.619 58 H SER 11 H SER 11 2.609 8.913 -2.291 59 HA SER 11 HA SER 11 2.817 11.392 -3.849 60 HB2 SER 11 HB2 SER 11 4.024 10.135 -5.635 61 HB3 SER 11 HB3 SER 11 4.953 10.278 -4.142 62 HG SER 11 HG SER 11 4.604 8.102 -5.349 63 H TRP 12 H TRP 12 2.120 10.802 -6.245 64 HA TRP 12 HA TRP 12 -0.598 10.233 -6.192 65 HB2 TRP 12 HB2 TRP 12 -0.412 10.026 -8.668 66 HB3 TRP 12 HB3 TRP 12 0.382 11.462 -8.029 67 HD1 TRP 12 HD1 TRP 12 3.057 11.549 -8.156 68 HE1 TRP 12 HE1 TRP 12 4.749 10.243 -9.590 69 HE3 TRP 12 HE3 TRP 12 0.026 7.741 -9.721 70 HZ2 TRP 12 HZ2 TRP 12 4.793 7.908 -11.175 71 HZ3 TRP 12 HZ3 TRP 12 0.971 6.012 -11.195 72 HH2 TRP 12 HH2 TRP 12 3.305 6.096 -11.907 73 H GLY 13 H GLY 13 2.152 8.101 -6.700 74 HA2 GLY 13 HA2 GLY 13 0.364 5.838 -7.212 75 HA3 GLY 13 HA3 GLY 13 2.114 5.834 -7.381 76 H LYS 14 H LYS 14 2.338 7.180 -4.697 77 HA LYS 14 HA LYS 14 2.049 4.728 -3.105 78 HB2 LYS 14 HB2 LYS 14 4.298 6.043 -3.476 79 HB3 LYS 14 HB3 LYS 14 3.664 7.082 -2.207 80 HG2 LYS 14 HG2 LYS 14 4.616 5.666 -0.783 81 HG3 LYS 14 HG3 LYS 14 3.294 4.564 -1.175 82 HD2 LYS 14 HD2 LYS 14 5.969 4.673 -2.569 83 HD3 LYS 14 HD3 LYS 14 5.478 3.468 -1.376 84 HE2 LYS 14 HE2 LYS 14 4.108 3.953 -4.019 85 HE3 LYS 14 HE3 LYS 14 5.271 2.666 -3.704 86 HZ1 LYS 14 HZ1 LYS 14 2.746 2.988 -2.183 87 HZ2 LYS 14 HZ2 LYS 14 3.800 1.666 -2.159 88 HZ3 LYS 14 HZ3 LYS 14 2.890 1.996 -3.547 89 H LYS 15 H LYS 15 0.174 4.727 -2.034 90 HA LYS 15 HA LYS 15 -0.722 7.221 -0.758 91 HB2 LYS 15 HB2 LYS 15 -2.141 4.850 -1.867 92 HB3 LYS 15 HB3 LYS 15 -2.868 5.663 -0.487 93 HG2 LYS 15 HG2 LYS 15 -3.834 6.592 -2.437 94 HG3 LYS 15 HG3 LYS 15 -2.724 7.800 -1.786 95 HD2 LYS 15 HD2 LYS 15 -1.243 7.571 -3.517 96 HD3 LYS 15 HD3 LYS 15 -1.683 5.887 -3.813 97 HE2 LYS 15 HE2 LYS 15 -2.708 6.789 -5.617 98 HE3 LYS 15 HE3 LYS 15 -4.002 7.066 -4.452 99 HZ1 LYS 15 HZ1 LYS 15 -2.398 9.246 -4.178 100 HZ2 LYS 15 HZ2 LYS 15 -3.848 9.189 -5.047 101 HZ3 LYS 15 HZ3 LYS 15 -2.374 8.963 -5.846 102 H CYS 16 H CYS 16 -0.858 7.379 1.403 103 HA CYS 16 HA CYS 16 0.508 5.689 3.106 104 HB2 CYS 16 HB2 CYS 16 -0.710 8.104 3.382 105 HB3 CYS 16 HB3 CYS 16 -1.794 7.083 4.321 106 H CYS 17 H CYS 17 -0.001 3.968 4.388 107 HA CYS 17 HA CYS 17 -1.982 2.187 3.563 108 HB2 CYS 17 HB2 CYS 17 -0.679 2.276 6.291 109 HB3 CYS 17 HB3 CYS 17 -1.416 0.875 5.520 110 H ASP 18 H ASP 18 -2.014 4.652 6.063 111 HA ASP 18 HA ASP 18 -4.855 4.038 6.555 112 HB2 ASP 18 HB2 ASP 18 -4.305 5.413 8.746 113 HB3 ASP 18 HB3 ASP 18 -3.958 3.689 8.645 114 H LEU 19 H LEU 19 -5.327 5.402 4.705 115 HA LEU 19 HA LEU 19 -4.633 8.165 4.695 116 HB2 LEU 19 HB2 LEU 19 -6.799 6.676 3.220 117 HB3 LEU 19 HB3 LEU 19 -6.319 8.341 2.899 118 HG LEU 19 HG LEU 19 -4.586 5.900 2.522 119 HD11 LEU 19 HD11 LEU 19 -4.847 6.282 0.166 120 HD12 LEU 19 HD12 LEU 19 -5.820 7.722 0.464 121 HD13 LEU 19 HD13 LEU 19 -6.445 6.131 0.898 122 HD21 LEU 19 HD21 LEU 19 -2.975 7.397 1.543 123 HD22 LEU 19 HD22 LEU 19 -3.348 7.941 3.179 124 HD23 LEU 19 HD23 LEU 19 -4.048 8.775 1.791 125 H ASP 20 H ASP 20 -7.351 6.306 5.898 126 HA ASP 20 HA ASP 20 -9.186 8.363 6.323 127 HB2 ASP 20 HB2 ASP 20 -8.722 5.797 7.849 128 HB3 ASP 20 HB3 ASP 20 -10.095 6.863 8.135 129 H ASN 21 H ASN 21 -6.428 7.319 8.231 130 HA ASN 21 HA ASN 21 -7.063 9.230 10.341 131 HB2 ASN 21 HB2 ASN 21 -5.110 6.980 10.046 132 HB3 ASN 21 HB3 ASN 21 -4.792 8.241 11.234 133 HD21 ASN 21 HD21 ASN 21 -7.503 6.233 10.128 134 HD22 ASN 21 HD22 ASN 21 -8.090 5.858 11.710 135 H PHE 22 H PHE 22 -4.224 8.466 8.316 136 HA PHE 22 HA PHE 22 -3.234 11.183 8.723 137 HB2 PHE 22 HB2 PHE 22 -1.927 8.845 7.315 138 HB3 PHE 22 HB3 PHE 22 -1.159 10.379 7.712 139 HD1 PHE 22 HD1 PHE 22 -2.680 7.345 9.184 140 HD2 PHE 22 HD2 PHE 22 -0.189 10.739 9.814 141 HE1 PHE 22 HE1 PHE 22 -1.992 6.431 11.362 142 HE2 PHE 22 HE2 PHE 22 0.504 9.829 11.993 143 HZ PHE 22 HZ PHE 22 -0.398 7.674 12.770 144 H TYR 23 H TYR 23 -2.876 12.640 7.071 145 HA TYR 23 HA TYR 23 -3.941 11.912 4.425 146 HB2 TYR 23 HB2 TYR 23 -5.036 14.054 4.240 147 HB3 TYR 23 HB3 TYR 23 -5.571 13.280 5.727 148 HD1 TYR 23 HD1 TYR 23 -4.453 16.283 4.335 149 HD2 TYR 23 HD2 TYR 23 -4.110 13.924 7.860 150 HE1 TYR 23 HE1 TYR 23 -3.796 18.285 5.605 151 HE2 TYR 23 HE2 TYR 23 -3.454 15.920 9.139 152 HH TYR 23 HH TYR 23 -3.554 18.273 9.059 153 H CYS 24 H CYS 24 -3.365 13.797 2.820 154 HA CYS 24 HA CYS 24 -0.512 14.419 3.220 155 HB2 CYS 24 HB2 CYS 24 -2.025 13.842 0.665 156 HB3 CYS 24 HB3 CYS 24 -0.354 14.395 0.723 157 HA PRO 25 HA PRO 25 -2.495 18.530 3.126 158 HB2 PRO 25 HB2 PRO 25 -0.555 19.722 4.604 159 HB3 PRO 25 HB3 PRO 25 -1.894 18.821 5.324 160 HG2 PRO 25 HG2 PRO 25 0.921 17.942 4.807 161 HG3 PRO 25 HG3 PRO 25 -0.092 17.669 6.237 162 HD2 PRO 25 HD2 PRO 25 0.288 15.776 4.338 163 HD3 PRO 25 HD3 PRO 25 -1.225 15.918 5.256 164 H MET 26 H MET 26 -2.038 20.283 1.850 165 HA MET 26 HA MET 26 -0.116 19.991 -0.195 166 HB2 MET 26 HB2 MET 26 -2.241 21.257 -0.428 167 HB3 MET 26 HB3 MET 26 -1.589 22.498 0.632 168 HG2 MET 26 HG2 MET 26 -1.193 23.397 -1.437 169 HG3 MET 26 HG3 MET 26 0.340 22.597 -1.098 170 HE1 MET 26 HE1 MET 26 1.189 20.721 -3.727 171 HE2 MET 26 HE2 MET 26 1.266 20.883 -1.972 172 HE3 MET 26 HE3 MET 26 0.436 19.504 -2.695 173 H GLU 27 H GLU 27 2.003 20.053 0.215 174 HA GLU 27 HA GLU 27 3.204 22.476 1.147 175 HB2 GLU 27 HB2 GLU 27 4.389 21.501 3.072 176 HB3 GLU 27 HB3 GLU 27 2.648 21.520 3.313 177 HG2 GLU 27 HG2 GLU 27 2.678 19.109 2.487 178 HG3 GLU 27 HG3 GLU 27 4.424 19.182 2.719 179 H PHE 28 H PHE 28 5.672 22.136 1.363 180 HA PHE 28 HA PHE 28 6.701 21.307 -1.054 181 HB2 PHE 28 HB2 PHE 28 8.130 21.418 1.610 182 HB3 PHE 28 HB3 PHE 28 8.919 21.356 0.037 183 HD1 PHE 28 HD1 PHE 28 7.463 23.450 2.539 184 HD2 PHE 28 HD2 PHE 28 8.515 23.260 -1.581 185 HE1 PHE 28 HE1 PHE 28 7.384 25.906 2.409 186 HE2 PHE 28 HE2 PHE 28 8.439 25.716 -1.717 187 HZ PHE 28 HZ PHE 28 7.872 27.042 0.279 188 H ILE 29 H ILE 29 6.965 19.539 2.033 189 HA ILE 29 HA ILE 29 7.153 17.047 0.471 190 HB ILE 29 HB ILE 29 8.485 17.445 3.142 191 HG12 ILE 29 HG12 ILE 29 10.558 17.387 1.406 192 HG13 ILE 29 HG13 ILE 29 9.370 18.243 0.430 193 HG21 ILE 29 HG21 ILE 29 9.160 15.455 0.998 194 HG22 ILE 29 HG22 ILE 29 9.588 15.422 2.707 195 HG23 ILE 29 HG23 ILE 29 7.920 15.140 2.211 196 HD11 ILE 29 HD11 ILE 29 10.714 19.071 2.944 197 HD12 ILE 29 HD12 ILE 29 10.405 19.987 1.469 198 HD13 ILE 29 HD13 ILE 29 9.093 19.678 2.606 199 HA PRO 30 HA PRO 30 3.440 16.418 2.977 200 HB2 PRO 30 HB2 PRO 30 2.506 14.373 1.456 201 HB3 PRO 30 HB3 PRO 30 2.294 16.071 1.016 202 HG2 PRO 30 HG2 PRO 30 4.317 14.098 0.030 203 HG3 PRO 30 HG3 PRO 30 3.380 15.292 -0.887 204 HD2 PRO 30 HD2 PRO 30 5.960 15.700 -0.174 205 HD3 PRO 30 HD3 PRO 30 4.786 17.024 -0.308 206 H HIS 31 H HIS 31 3.470 15.267 4.795 207 HA HIS 31 HA HIS 31 4.779 12.627 4.772 208 HB2 HIS 31 HB2 HIS 31 4.683 14.533 7.117 209 HB3 HIS 31 HB3 HIS 31 5.558 13.007 7.026 210 HD1 HIS 31 HD1 HIS 31 6.156 16.483 6.840 211 HD2 HIS 31 HD2 HIS 31 7.552 13.195 4.718 212 HE1 HIS 31 HE1 HIS 31 8.294 17.242 5.754 213 H CYS 32 H CYS 32 3.938 11.064 6.285 214 HA CYS 32 HA CYS 32 1.051 11.258 6.513 215 HB2 CYS 32 HB2 CYS 32 3.045 9.035 6.856 216 HB3 CYS 32 HB3 CYS 32 1.385 8.849 7.412 217 H LYS 33 H LYS 33 1.335 13.027 8.149 218 HA LYS 33 HA LYS 33 1.747 11.901 10.841 219 HB2 LYS 33 HB2 LYS 33 3.229 13.851 9.929 220 HB3 LYS 33 HB3 LYS 33 1.819 14.844 10.274 221 HG2 LYS 33 HG2 LYS 33 1.927 14.379 12.580 222 HG3 LYS 33 HG3 LYS 33 3.069 13.055 12.336 223 HD2 LYS 33 HD2 LYS 33 3.668 15.944 11.710 224 HD3 LYS 33 HD3 LYS 33 4.095 15.151 13.228 225 HE2 LYS 33 HE2 LYS 33 5.259 13.408 11.712 226 HE3 LYS 33 HE3 LYS 33 5.153 14.653 10.468 227 HZ1 LYS 33 HZ1 LYS 33 6.138 15.895 12.735 228 HZ2 LYS 33 HZ2 LYS 33 6.984 15.529 11.317 229 HZ3 LYS 33 HZ3 LYS 33 6.986 14.436 12.608 230 H LYS 34 H LYS 34 0.082 11.903 12.219 231 HA LYS 34 HA LYS 34 -2.532 12.328 11.447 232 HB2 LYS 34 HB2 LYS 34 -1.493 11.188 13.575 233 HB3 LYS 34 HB3 LYS 34 -1.755 12.767 14.305 234 HG2 LYS 34 HG2 LYS 34 -4.092 12.634 13.983 235 HG3 LYS 34 HG3 LYS 34 -3.936 11.237 12.916 236 HD2 LYS 34 HD2 LYS 34 -3.038 11.164 15.784 237 HD3 LYS 34 HD3 LYS 34 -4.700 10.801 15.313 238 HE2 LYS 34 HE2 LYS 34 -3.916 9.007 13.870 239 HE3 LYS 34 HE3 LYS 34 -2.243 9.395 14.268 240 HZ1 LYS 34 HZ1 LYS 34 -2.748 7.631 15.659 241 HZ2 LYS 34 HZ2 LYS 34 -4.314 8.182 15.984 242 HZ3 LYS 34 HZ3 LYS 34 -2.982 8.970 16.668 243 H TYR 35 H TYR 35 -4.081 13.948 11.971 244 HA TYR 35 HA TYR 35 -3.375 16.540 11.350 245 HB2 TYR 35 HB2 TYR 35 -5.751 15.325 12.700 246 HB3 TYR 35 HB3 TYR 35 -5.606 17.079 12.648 247 HD1 TYR 35 HD1 TYR 35 -6.261 14.060 10.726 248 HD2 TYR 35 HD2 TYR 35 -5.639 18.262 10.486 249 HE1 TYR 35 HE1 TYR 35 -7.190 14.061 8.449 250 HE2 TYR 35 HE2 TYR 35 -6.567 18.275 8.208 251 HH TYR 35 HH TYR 35 -7.597 17.078 6.633 252 H LYS 36 H LYS 36 -3.405 18.494 12.647 253 HA LYS 36 HA LYS 36 -1.613 18.457 14.768 254 HB2 LYS 36 HB2 LYS 36 -3.567 20.471 13.735 255 HB3 LYS 36 HB3 LYS 36 -2.752 20.783 15.262 256 HG2 LYS 36 HG2 LYS 36 -0.589 20.593 14.162 257 HG3 LYS 36 HG3 LYS 36 -1.391 20.242 12.630 258 HD2 LYS 36 HD2 LYS 36 -1.774 22.780 14.214 259 HD3 LYS 36 HD3 LYS 36 -0.651 22.608 12.863 260 HE2 LYS 36 HE2 LYS 36 -2.788 21.749 11.608 261 HE3 LYS 36 HE3 LYS 36 -3.635 22.645 12.868 262 HZ1 LYS 36 HZ1 LYS 36 -2.002 23.631 10.665 263 HZ2 LYS 36 HZ2 LYS 36 -1.879 24.468 12.129 264 HZ3 LYS 36 HZ3 LYS 36 -3.384 24.302 11.374 265 HA PRO 37 HA PRO 37 -3.854 17.438 18.400 266 HB2 PRO 37 HB2 PRO 37 -2.806 19.149 20.229 267 HB3 PRO 37 HB3 PRO 37 -1.909 17.772 19.578 268 HG2 PRO 37 HG2 PRO 37 -1.776 20.658 18.796 269 HG3 PRO 37 HG3 PRO 37 -0.454 19.499 19.026 270 HD2 PRO 37 HD2 PRO 37 -1.397 20.166 16.577 271 HD3 PRO 37 HD3 PRO 37 -0.753 18.553 16.946 272 H TYR 38 H TYR 38 -5.323 18.263 20.078 273 HA TYR 38 HA TYR 38 -7.305 19.930 19.045 274 HB2 TYR 38 HB2 TYR 38 -7.295 18.214 21.057 275 HB3 TYR 38 HB3 TYR 38 -6.997 19.666 22.006 276 HD1 TYR 38 HD1 TYR 38 -9.355 18.174 19.551 277 HD2 TYR 38 HD2 TYR 38 -8.767 21.085 22.598 278 HE1 TYR 38 HE1 TYR 38 -11.764 18.669 19.534 279 HE2 TYR 38 HE2 TYR 38 -11.175 21.587 22.591 280 HH TYR 38 HH TYR 38 -13.357 20.091 20.251 281 H VAL 39 H VAL 39 -7.842 22.060 19.332 282 HA VAL 39 HA VAL 39 -5.698 23.872 19.863 283 HB VAL 39 HB VAL 39 -8.631 24.465 19.444 284 HG11 VAL 39 HG11 VAL 39 -6.241 26.283 19.175 285 HG12 VAL 39 HG12 VAL 39 -7.932 26.718 18.923 286 HG13 VAL 39 HG13 VAL 39 -7.362 26.283 20.535 287 HG21 VAL 39 HG21 VAL 39 -6.538 23.627 17.632 288 HG22 VAL 39 HG22 VAL 39 -8.269 23.807 17.346 289 HG23 VAL 39 HG23 VAL 39 -7.198 25.198 17.180 290 HA PRO 40 HA PRO 40 -6.316 24.325 24.220 291 HB2 PRO 40 HB2 PRO 40 -4.808 26.557 24.555 292 HB3 PRO 40 HB3 PRO 40 -4.108 24.954 24.302 293 HG2 PRO 40 HG2 PRO 40 -4.529 27.169 22.333 294 HG3 PRO 40 HG3 PRO 40 -3.123 26.108 22.540 295 HD2 PRO 40 HD2 PRO 40 -4.974 25.712 20.604 296 HD3 PRO 40 HD3 PRO 40 -4.102 24.374 21.380 297 H VAL 41 H VAL 41 -7.319 25.746 25.725 298 HA VAL 41 HA VAL 41 -9.460 27.273 24.627 299 HB VAL 41 HB VAL 41 -8.546 27.203 27.504 300 HG11 VAL 41 HG11 VAL 41 -10.081 28.946 27.314 301 HG12 VAL 41 HG12 VAL 41 -11.060 28.082 26.128 302 HG13 VAL 41 HG13 VAL 41 -11.072 27.577 27.818 303 HG21 VAL 41 HG21 VAL 41 -9.122 25.057 27.538 304 HG22 VAL 41 HG22 VAL 41 -10.776 25.544 27.165 305 HG23 VAL 41 HG23 VAL 41 -9.665 25.125 25.861 306 H THR 42 H THR 42 -9.756 29.453 24.514 307 HA THR 42 HA THR 42 -7.509 31.118 24.254 308 HB THR 42 HB THR 42 -9.337 32.987 24.407 309 HG1 THR 42 HG1 THR 42 -11.432 32.097 23.957 310 HG21 THR 42 HG21 THR 42 -8.312 31.452 22.357 311 HG22 THR 42 HG22 THR 42 -9.293 32.906 22.169 312 HG23 THR 42 HG23 THR 42 -10.055 31.316 22.130 313 H THR 43 H THR 43 -6.944 33.014 25.477 314 HA THR 43 HA THR 43 -7.006 32.517 28.321 315 HB THR 43 HB THR 43 -5.406 34.274 28.541 316 HG1 THR 43 HG1 THR 43 -4.894 35.512 26.533 317 HG21 THR 43 HG21 THR 43 -4.673 32.124 27.435 318 HG22 THR 43 HG22 THR 43 -3.640 33.522 27.135 319 HG23 THR 43 HG23 THR 43 -4.771 32.978 25.895 320 H SER 44 H SER 44 -7.098 34.796 29.611 321 HA SER 44 HA SER 44 -9.847 35.511 29.577 322 HB2 SER 44 HB2 SER 44 -9.197 37.141 31.347 323 HB3 SER 44 HB3 SER 44 -8.612 35.509 31.667 324 HG SER 44 HG SER 44 -7.204 37.757 31.445 325 H PHE 45 H PHE 45 -10.859 37.372 28.920 326 HA PHE 45 HA PHE 45 -9.456 38.909 26.890 327 HB2 PHE 45 HB2 PHE 45 -12.339 38.624 27.691 328 HB3 PHE 45 HB3 PHE 45 -11.824 39.939 26.639 329 HD1 PHE 45 HD1 PHE 45 -12.778 36.513 26.825 330 HD2 PHE 45 HD2 PHE 45 -10.596 39.326 24.492 331 HE1 PHE 45 HE1 PHE 45 -12.916 35.006 24.885 332 HE2 PHE 45 HE2 PHE 45 -10.731 37.824 22.548 333 HZ PHE 45 HZ PHE 45 -11.893 35.661 22.743 334 H ASN 46 H ASN 46 -8.831 40.979 27.077 335 HA ASN 46 HA ASN 46 -9.891 42.665 29.189 336 HB2 ASN 46 HB2 ASN 46 -8.067 41.525 30.336 337 HB3 ASN 46 HB3 ASN 46 -6.954 41.952 29.040 338 HD21 ASN 46 HD21 ASN 46 -5.807 43.735 29.272 339 HD22 ASN 46 HD22 ASN 46 -6.128 45.004 30.400 340 H CYS 47 H CYS 47 -10.234 44.610 28.359 341 HA CYS 47 HA CYS 47 -9.426 45.352 25.773 342 HB2 CYS 47 HB2 CYS 47 -10.286 47.611 26.393 343 HB3 CYS 47 HB3 CYS 47 -11.416 46.308 26.747 344 H ALA 48 H ALA 48 -8.104 47.205 25.160 345 HA ALA 48 HA ALA 48 -5.550 47.127 26.474 346 HB1 ALA 48 HB1 ALA 48 -4.989 48.865 24.675 347 HB2 ALA 48 HB2 ALA 48 -5.406 47.235 24.146 348 HB3 ALA 48 HB3 ALA 48 -6.599 48.529 24.039 349 H LYS 49 H LYS 49 -5.157 48.263 28.252 350 HA LYS 49 HA LYS 49 -6.685 50.583 28.965 351 HB2 LYS 49 HB2 LYS 49 -5.389 50.607 30.987 352 HB3 LYS 49 HB3 LYS 49 -5.797 48.936 30.620 353 HG2 LYS 49 HG2 LYS 49 -3.589 48.497 29.825 354 HG3 LYS 49 HG3 LYS 49 -3.159 50.206 29.928 355 HD2 LYS 49 HD2 LYS 49 -4.141 48.938 32.414 356 HD3 LYS 49 HD3 LYS 49 -2.557 48.416 31.836 357 HE2 LYS 49 HE2 LYS 49 -2.167 51.007 31.585 358 HE3 LYS 49 HE3 LYS 49 -3.452 51.095 32.789 359 HZ1 LYS 49 HZ1 LYS 49 -1.945 49.294 33.944 360 HZ2 LYS 49 HZ2 LYS 49 -1.656 50.948 34.147 361 HZ3 LYS 49 HZ3 LYS 49 -0.731 50.057 33.046 362 H GLU 50 H GLU 50 -5.537 52.616 29.685 363 HA GLU 50 HA GLU 50 -4.390 53.923 27.544 364 HB2 GLU 50 HB2 GLU 50 -5.374 55.010 29.562 365 HB3 GLU 50 HB3 GLU 50 -3.922 54.581 30.456 366 HG2 GLU 50 HG2 GLU 50 -2.588 56.052 29.224 367 HG3 GLU 50 HG3 GLU 50 -3.794 56.216 27.950 368 H GLY 51 H GLY 51 -2.432 53.974 26.644 369 HA2 GLY 51 HA2 GLY 51 -0.041 54.095 26.792 370 HA3 GLY 51 HA3 GLY 51 -0.119 53.101 28.240 371 H GLU 52 H GLU 52 -2.036 51.232 26.993 372 HA GLU 52 HA GLU 52 -0.178 49.378 25.965 373 HB2 GLU 52 HB2 GLU 52 -3.190 49.348 25.713 374 HB3 GLU 52 HB3 GLU 52 -2.121 47.972 25.484 375 HG2 GLU 52 HG2 GLU 52 -2.373 49.490 28.067 376 HG3 GLU 52 HG3 GLU 52 -3.287 48.033 27.680 377 H VAL 53 H VAL 53 -0.116 48.415 23.850 378 HA VAL 53 HA VAL 53 -0.403 50.414 21.752 379 HB VAL 53 HB VAL 53 0.793 47.652 21.524 380 HG11 VAL 53 HG11 VAL 53 0.539 48.302 19.354 381 HG12 VAL 53 HG12 VAL 53 0.601 50.022 19.745 382 HG13 VAL 53 HG13 VAL 53 2.087 49.073 19.699 383 HG21 VAL 53 HG21 VAL 53 2.867 49.481 21.543 384 HG22 VAL 53 HG22 VAL 53 1.802 50.038 22.833 385 HG23 VAL 53 HG23 VAL 53 2.425 48.389 22.855 386 H CYS 54 H CYS 54 -1.504 50.046 19.797 387 HA CYS 54 HA CYS 54 -3.571 47.951 19.948 388 HB2 CYS 54 HB2 CYS 54 -3.795 50.605 18.518 389 HB3 CYS 54 HB3 CYS 54 -5.075 49.422 18.767 390 H GLY 55 H GLY 55 -4.036 46.754 18.122 391 HA2 GLY 55 HA2 GLY 55 -3.545 47.056 15.522 392 HA3 GLY 55 HA3 GLY 55 -1.924 46.724 16.115 393 H TRP 56 H TRP 56 -2.809 44.887 18.185 394 HA TRP 56 HA TRP 56 -3.153 42.548 16.484 395 HB2 TRP 56 HB2 TRP 56 -2.549 42.767 19.441 396 HB3 TRP 56 HB3 TRP 56 -2.588 41.267 18.520 397 HD1 TRP 56 HD1 TRP 56 -0.426 44.337 19.154 398 HE1 TRP 56 HE1 TRP 56 1.904 43.941 18.134 399 HE3 TRP 56 HE3 TRP 56 -1.379 40.005 16.612 400 HZ2 TRP 56 HZ2 TRP 56 3.170 42.043 16.472 401 HZ3 TRP 56 HZ3 TRP 56 0.446 38.964 15.331 402 HH2 TRP 56 HH2 TRP 56 2.672 39.964 15.263 403 H GLY 57 H GLY 57 -5.451 44.003 16.506 404 HA2 GLY 57 HA2 GLY 57 -7.714 43.741 16.796 405 HA3 GLY 57 HA3 GLY 57 -7.364 42.116 17.367 406 H SER 58 H SER 58 -6.110 45.030 18.865 407 HA SER 58 HA SER 58 -7.741 44.414 21.239 408 HB2 SER 58 HB2 SER 58 -5.052 44.415 21.144 409 HB3 SER 58 HB3 SER 58 -5.323 46.118 21.513 410 HG SER 58 HG SER 58 -5.136 44.707 23.376 411 H LYS 59 H LYS 59 -9.297 45.812 21.677 412 HA LYS 59 HA LYS 59 -9.114 48.535 20.595 413 HB2 LYS 59 HB2 LYS 59 -11.575 47.251 21.768 414 HB3 LYS 59 HB3 LYS 59 -11.481 48.646 20.701 415 HG2 LYS 59 HG2 LYS 59 -10.759 45.830 19.915 416 HG3 LYS 59 HG3 LYS 59 -12.306 46.613 19.579 417 HD2 LYS 59 HD2 LYS 59 -9.845 48.039 18.736 418 HD3 LYS 59 HD3 LYS 59 -10.295 46.594 17.827 419 HE2 LYS 59 HE2 LYS 59 -12.243 48.811 18.401 420 HE3 LYS 59 HE3 LYS 59 -11.195 48.820 16.983 421 HZ1 LYS 59 HZ1 LYS 59 -12.914 47.733 16.063 422 HZ2 LYS 59 HZ2 LYS 59 -13.534 47.203 17.545 423 HZ3 LYS 59 HZ3 LYS 59 -12.246 46.377 16.823 424 H CYS 60 H CYS 60 -9.087 50.297 21.882 425 HA CYS 60 HA CYS 60 -8.300 50.097 24.554 426 HB2 CYS 60 HB2 CYS 60 -9.531 52.444 23.096 427 HB3 CYS 60 HB3 CYS 60 -8.726 52.541 24.658 428 H CYS 61 H CYS 61 -9.378 50.675 26.498 429 HA CYS 61 HA CYS 61 -11.984 49.584 26.733 430 HB2 CYS 61 HB2 CYS 61 -10.584 51.320 28.769 431 HB3 CYS 61 HB3 CYS 61 -11.823 50.104 29.065 432 H HIS 62 H HIS 62 -13.788 50.794 27.848 433 HA HIS 62 HA HIS 62 -14.787 52.798 26.236 434 HB2 HIS 62 HB2 HIS 62 -15.418 52.052 29.087 435 HB3 HIS 62 HB3 HIS 62 -16.307 53.311 28.234 436 HD1 HIS 62 HD1 HIS 62 -16.243 49.728 28.786 437 HD2 HIS 62 HD2 HIS 62 -17.638 52.280 25.820 438 HE1 HIS 62 HE1 HIS 62 -17.872 48.366 27.439 439 H GLY 63 H GLY 63 -14.462 54.924 26.039 440 HA2 GLY 63 HA2 GLY 63 -14.087 57.114 26.864 441 HA3 GLY 63 HA3 GLY 63 -13.332 56.420 28.291 442 H LEU 64 H LEU 64 -11.769 54.580 26.460 443 HA LEU 64 HA LEU 64 -9.660 56.525 25.843 444 HB2 LEU 64 HB2 LEU 64 -9.529 53.538 26.223 445 HB3 LEU 64 HB3 LEU 64 -8.152 54.572 25.847 446 HG LEU 64 HG LEU 64 -9.781 55.019 28.325 447 HD11 LEU 64 HD11 LEU 64 -9.222 52.779 28.645 448 HD12 LEU 64 HD12 LEU 64 -7.920 53.658 29.446 449 HD13 LEU 64 HD13 LEU 64 -7.658 52.956 27.849 450 HD21 LEU 64 HD21 LEU 64 -7.196 55.918 27.207 451 HD22 LEU 64 HD22 LEU 64 -7.248 55.620 28.945 452 HD23 LEU 64 HD23 LEU 64 -8.360 56.778 28.214 453 H ASP 65 H ASP 65 -8.329 56.133 23.921 454 HA ASP 65 HA ASP 65 -9.485 54.540 21.798 455 HB2 ASP 65 HB2 ASP 65 -10.624 56.881 21.883 456 HB3 ASP 65 HB3 ASP 65 -9.104 57.458 21.204 457 H CYS 66 H CYS 66 -8.122 54.502 19.863 458 HA CYS 66 HA CYS 66 -5.316 55.135 20.509 459 HB2 CYS 66 HB2 CYS 66 -6.534 52.660 19.790 460 HB3 CYS 66 HB3 CYS 66 -5.468 53.143 18.475 461 HA PRO 67 HA PRO 67 -5.447 57.797 16.976 462 HB2 PRO 67 HB2 PRO 67 -2.776 58.248 16.794 463 HB3 PRO 67 HB3 PRO 67 -3.795 59.000 18.026 464 HG2 PRO 67 HG2 PRO 67 -2.010 56.607 18.247 465 HG3 PRO 67 HG3 PRO 67 -2.225 57.951 19.383 466 HD2 PRO 67 HD2 PRO 67 -3.415 55.544 19.732 467 HD3 PRO 67 HD3 PRO 67 -4.164 57.064 20.261 468 H LEU 68 H LEU 68 -4.485 57.933 14.796 469 HA LEU 68 HA LEU 68 -4.028 55.248 13.727 470 HB2 LEU 68 HB2 LEU 68 -5.028 57.820 12.603 471 HB3 LEU 68 HB3 LEU 68 -4.290 56.648 11.514 472 HG LEU 68 HG LEU 68 -6.703 56.434 11.488 473 HD11 LEU 68 HD11 LEU 68 -6.568 54.219 11.293 474 HD12 LEU 68 HD12 LEU 68 -6.170 54.008 12.998 475 HD13 LEU 68 HD13 LEU 68 -4.898 54.384 11.835 476 HD21 LEU 68 HD21 LEU 68 -7.086 57.323 13.771 477 HD22 LEU 68 HD22 LEU 68 -6.517 55.788 14.428 478 HD23 LEU 68 HD23 LEU 68 -7.977 55.838 13.438 479 H ALA 69 H ALA 69 -1.874 54.861 14.064 480 HA ALA 69 HA ALA 69 -0.049 56.164 12.260 481 HB1 ALA 69 HB1 ALA 69 0.373 56.433 15.234 482 HB2 ALA 69 HB2 ALA 69 1.574 56.822 14.001 483 HB3 ALA 69 HB3 ALA 69 0.069 57.738 14.088 484 H PHE 70 H PHE 70 2.336 55.294 13.040 485 HA PHE 70 HA PHE 70 2.407 52.617 12.371 486 HB2 PHE 70 HB2 PHE 70 4.438 54.089 14.062 487 HB3 PHE 70 HB3 PHE 70 4.724 52.617 13.140 488 HD1 PHE 70 HD1 PHE 70 4.951 56.125 13.121 489 HD2 PHE 70 HD2 PHE 70 4.237 52.786 10.580 490 HE1 PHE 70 HE1 PHE 70 5.587 57.479 11.168 491 HE2 PHE 70 HE2 PHE 70 4.873 54.135 8.623 492 HZ PHE 70 HZ PHE 70 5.548 56.485 8.915 493 H ILE 71 H ILE 71 3.139 53.858 15.635 494 HA ILE 71 HA ILE 71 1.860 51.446 16.738 495 HB ILE 71 HB ILE 71 4.351 52.742 17.848 496 HG12 ILE 71 HG12 ILE 71 5.072 50.210 17.130 497 HG13 ILE 71 HG13 ILE 71 3.945 50.621 15.841 498 HG21 ILE 71 HG21 ILE 71 3.844 50.058 18.726 499 HG22 ILE 71 HG22 ILE 71 4.018 51.531 19.678 500 HG23 ILE 71 HG23 ILE 71 2.438 51.075 19.041 501 HD11 ILE 71 HD11 ILE 71 5.881 51.370 14.924 502 HD12 ILE 71 HD12 ILE 71 5.383 52.831 15.778 503 HD13 ILE 71 HD13 ILE 71 6.599 51.767 16.484 504 HA PRO 72 HA PRO 72 -0.128 55.157 18.601 505 HB2 PRO 72 HB2 PRO 72 -2.604 54.047 18.685 506 HB3 PRO 72 HB3 PRO 72 -1.964 54.862 17.253 507 HG2 PRO 72 HG2 PRO 72 -2.104 51.934 17.862 508 HG3 PRO 72 HG3 PRO 72 -2.464 52.780 16.345 509 HD2 PRO 72 HD2 PRO 72 -0.123 51.489 16.773 510 HD3 PRO 72 HD3 PRO 72 -0.240 52.943 15.762 511 H TYR 73 H TYR 73 -1.446 55.290 20.621 512 HA TYR 73 HA TYR 73 -1.212 52.973 22.382 513 HB2 TYR 73 HB2 TYR 73 -0.145 55.683 23.189 514 HB3 TYR 73 HB3 TYR 73 -0.079 54.193 24.124 515 HD1 TYR 73 HD1 TYR 73 1.206 52.209 22.981 516 HD2 TYR 73 HD2 TYR 73 1.701 56.304 21.936 517 HE1 TYR 73 HE1 TYR 73 3.403 51.689 22.006 518 HE2 TYR 73 HE2 TYR 73 3.899 55.794 20.957 519 HH TYR 73 HH TYR 73 5.070 53.804 19.996 520 H CYS 74 H CYS 74 -2.927 52.755 23.679 521 HA CYS 74 HA CYS 74 -5.243 54.224 23.394 522 HB2 CYS 74 HB2 CYS 74 -4.256 52.477 25.640 523 HB3 CYS 74 HB3 CYS 74 -5.845 53.234 25.692 524 H GLU 75 H GLU 75 -6.123 56.001 24.319 525 HA GLU 75 HA GLU 75 -4.985 57.199 26.683 526 HB2 GLU 75 HB2 GLU 75 -4.423 59.337 25.643 527 HB3 GLU 75 HB3 GLU 75 -3.461 58.036 24.956 528 HG2 GLU 75 HG2 GLU 75 -4.643 58.062 22.944 529 HG3 GLU 75 HG3 GLU 75 -5.981 58.973 23.640 530 H LYS 76 H LYS 76 -6.341 58.709 27.647 531 HA LYS 76 HA LYS 76 -9.065 58.415 27.325 532 HB2 LYS 76 HB2 LYS 76 -7.502 60.725 28.483 533 HB3 LYS 76 HB3 LYS 76 -9.250 60.576 28.614 534 HG2 LYS 76 HG2 LYS 76 -7.334 58.489 29.619 535 HG3 LYS 76 HG3 LYS 76 -7.949 59.812 30.612 536 HD2 LYS 76 HD2 LYS 76 -9.893 58.109 29.129 537 HD3 LYS 76 HD3 LYS 76 -9.136 57.459 30.584 538 HE2 LYS 76 HE2 LYS 76 -11.017 58.454 31.460 539 HE3 LYS 76 HE3 LYS 76 -9.834 59.751 31.621 540 HZ1 LYS 76 HZ1 LYS 76 -12.151 60.231 30.598 541 HZ2 LYS 76 HZ2 LYS 76 -11.474 59.588 29.187 542 HZ3 LYS 76 HZ3 LYS 76 -10.774 60.943 29.919 543 H TYR 77 H TYR 77 -10.381 58.966 25.730 544 HA TYR 77 HA TYR 77 -9.689 60.485 23.513 545 HB2 TYR 77 HB2 TYR 77 -11.617 58.878 23.691 546 HB3 TYR 77 HB3 TYR 77 -12.500 60.125 24.565 547 HD1 TYR 77 HD1 TYR 77 -14.166 60.995 23.230 548 HD2 TYR 77 HD2 TYR 77 -10.367 60.186 21.492 549 HE1 TYR 77 HE1 TYR 77 -14.947 61.940 21.098 550 HE2 TYR 77 HE2 TYR 77 -11.137 61.131 19.355 551 HH TYR 77 HH TYR 77 -13.705 63.058 19.017 552 H ARG 78 H ARG 78 -9.602 62.596 23.084 553 HA ARG 78 HA ARG 78 -10.098 64.485 25.203 554 HB2 ARG 78 HB2 ARG 78 -8.878 64.593 22.481 555 HB3 ARG 78 HB3 ARG 78 -9.442 66.094 23.203 556 HG2 ARG 78 HG2 ARG 78 -7.697 64.313 24.820 557 HG3 ARG 78 HG3 ARG 78 -6.973 65.263 23.521 558 HD2 ARG 78 HD2 ARG 78 -7.833 67.306 24.493 559 HD3 ARG 78 HD3 ARG 78 -8.676 66.389 25.741 560 HE ARG 78 HE ARG 78 -5.931 65.780 25.828 561 HH11 ARG 78 HH11 ARG 78 -8.138 68.382 26.519 562 HH12 ARG 78 HH12 ARG 78 -7.144 69.071 27.759 563 HH21 ARG 78 HH21 ARG 78 -4.612 66.677 27.459 564 HH22 ARG 78 HH22 ARG 78 -5.138 68.101 28.292 Start of MODEL 18 1 H1 GLY 1 H GLY 1 7.478 -0.185 5.304 2 HA2 GLY 1 HA2 GLY 1 7.564 1.461 3.680 3 HA3 GLY 1 HA3 GLY 1 6.078 1.974 4.467 4 H ASP 2 H ASP 2 6.559 4.143 3.893 5 HA ASP 2 HA ASP 2 8.417 5.406 5.773 6 HB2 ASP 2 HB2 ASP 2 9.103 6.994 3.923 7 HB3 ASP 2 HB3 ASP 2 9.726 5.352 3.785 8 H CYS 3 H CYS 3 7.932 7.609 6.252 9 HA CYS 3 HA CYS 3 5.731 8.994 5.143 10 HB2 CYS 3 HB2 CYS 3 4.148 8.839 6.998 11 HB3 CYS 3 HB3 CYS 3 4.444 7.246 6.308 12 H ALA 4 H ALA 4 5.085 10.888 6.612 13 HA ALA 4 HA ALA 4 7.550 11.955 7.785 14 HB1 ALA 4 HB1 ALA 4 6.539 14.150 7.506 15 HB2 ALA 4 HB2 ALA 4 6.516 13.255 5.985 16 HB3 ALA 4 HB3 ALA 4 5.043 13.404 6.943 17 H LYS 5 H LYS 5 7.743 11.796 9.913 18 HA LYS 5 HA LYS 5 5.702 11.124 11.694 19 HB2 LYS 5 HB2 LYS 5 8.404 11.297 11.866 20 HB3 LYS 5 HB3 LYS 5 7.935 12.713 12.798 21 HG2 LYS 5 HG2 LYS 5 6.288 10.931 13.904 22 HG3 LYS 5 HG3 LYS 5 7.580 9.840 13.396 23 HD2 LYS 5 HD2 LYS 5 9.155 11.554 14.516 24 HD3 LYS 5 HD3 LYS 5 7.695 12.142 15.315 25 HE2 LYS 5 HE2 LYS 5 8.618 9.273 15.373 26 HE3 LYS 5 HE3 LYS 5 8.993 10.455 16.625 27 HZ1 LYS 5 HZ1 LYS 5 6.706 10.673 17.154 28 HZ2 LYS 5 HZ2 LYS 5 7.037 9.015 17.099 29 HZ3 LYS 5 HZ3 LYS 5 6.227 9.759 15.813 30 H GLU 6 H GLU 6 5.244 12.567 13.707 31 HA GLU 6 HA GLU 6 3.626 14.692 12.895 32 HB2 GLU 6 HB2 GLU 6 3.206 13.565 14.982 33 HB3 GLU 6 HB3 GLU 6 4.781 14.035 15.607 34 HG2 GLU 6 HG2 GLU 6 4.129 16.322 15.740 35 HG3 GLU 6 HG3 GLU 6 2.624 15.999 14.882 36 H GLY 7 H GLY 7 4.051 16.729 12.356 37 HA2 GLY 7 HA2 GLY 7 5.056 18.846 12.633 38 HA3 GLY 7 HA3 GLY 7 6.369 18.083 13.516 39 H GLU 8 H GLU 8 6.680 16.005 11.423 40 HA GLU 8 HA GLU 8 8.699 17.223 9.918 41 HB2 GLU 8 HB2 GLU 8 7.175 14.673 9.360 42 HB3 GLU 8 HB3 GLU 8 8.664 15.149 8.556 43 HG2 GLU 8 HG2 GLU 8 9.627 15.271 10.958 44 HG3 GLU 8 HG3 GLU 8 8.238 14.269 11.376 45 H VAL 9 H VAL 9 8.810 17.419 7.552 46 HA VAL 9 HA VAL 9 6.554 18.910 6.566 47 HB VAL 9 HB VAL 9 9.145 18.179 5.194 48 HG11 VAL 9 HG11 VAL 9 7.043 20.205 4.433 49 HG12 VAL 9 HG12 VAL 9 8.588 19.960 3.615 50 HG13 VAL 9 HG13 VAL 9 7.368 18.686 3.598 51 HG21 VAL 9 HG21 VAL 9 9.940 20.337 5.798 52 HG22 VAL 9 HG22 VAL 9 8.361 20.815 6.422 53 HG23 VAL 9 HG23 VAL 9 9.310 19.593 7.268 54 H CYS 10 H CYS 10 5.232 18.417 4.839 55 HA CYS 10 HA CYS 10 5.332 15.619 3.915 56 HB2 CYS 10 HB2 CYS 10 2.859 15.781 3.655 57 HB3 CYS 10 HB3 CYS 10 3.396 15.945 5.324 58 H SER 11 H SER 11 5.203 15.217 1.765 59 HA SER 11 HA SER 11 4.582 17.425 -0.055 60 HB2 SER 11 HB2 SER 11 6.565 17.036 -1.400 61 HB3 SER 11 HB3 SER 11 7.054 17.371 0.261 62 HG SER 11 HG SER 11 7.872 15.441 0.391 63 H TRP 12 H TRP 12 5.106 16.251 -2.444 64 HA TRP 12 HA TRP 12 2.907 14.520 -2.781 65 HB2 TRP 12 HB2 TRP 12 3.700 14.280 -5.098 66 HB3 TRP 12 HB3 TRP 12 3.721 15.964 -4.581 67 HD1 TRP 12 HD1 TRP 12 6.073 17.170 -4.420 68 HE1 TRP 12 HE1 TRP 12 8.422 16.539 -5.262 69 HE3 TRP 12 HE3 TRP 12 5.258 12.234 -5.472 70 HZ2 TRP 12 HZ2 TRP 12 9.753 14.251 -6.242 71 HZ3 TRP 12 HZ3 TRP 12 7.122 10.894 -6.358 72 HH2 TRP 12 HH2 TRP 12 9.322 11.884 -6.735 73 H GLY 13 H GLY 13 6.352 13.938 -2.385 74 HA2 GLY 13 HA2 GLY 13 5.990 11.071 -2.821 75 HA3 GLY 13 HA3 GLY 13 7.521 11.901 -2.587 76 H LYS 14 H LYS 14 6.342 13.334 -0.217 77 HA LYS 14 HA LYS 14 6.738 11.137 1.693 78 HB2 LYS 14 HB2 LYS 14 8.129 13.397 1.580 79 HB3 LYS 14 HB3 LYS 14 6.783 13.996 2.541 80 HG2 LYS 14 HG2 LYS 14 8.149 13.319 4.217 81 HG3 LYS 14 HG3 LYS 14 7.288 11.804 3.939 82 HD2 LYS 14 HD2 LYS 14 9.465 11.069 3.937 83 HD3 LYS 14 HD3 LYS 14 9.224 11.384 2.217 84 HE2 LYS 14 HE2 LYS 14 10.213 13.645 2.566 85 HE3 LYS 14 HE3 LYS 14 10.578 13.180 4.226 86 HZ1 LYS 14 HZ1 LYS 14 12.029 11.473 3.451 87 HZ2 LYS 14 HZ2 LYS 14 12.459 12.906 2.663 88 HZ3 LYS 14 HZ3 LYS 14 11.574 11.722 1.841 89 H LYS 15 H LYS 15 4.939 10.329 2.532 90 HA LYS 15 HA LYS 15 2.592 12.065 2.831 91 HB2 LYS 15 HB2 LYS 15 1.272 10.049 2.940 92 HB3 LYS 15 HB3 LYS 15 2.334 9.955 1.542 93 HG2 LYS 15 HG2 LYS 15 2.745 7.893 2.321 94 HG3 LYS 15 HG3 LYS 15 3.871 8.736 3.388 95 HD2 LYS 15 HD2 LYS 15 2.688 7.461 4.898 96 HD3 LYS 15 HD3 LYS 15 1.774 8.971 4.932 97 HE2 LYS 15 HE2 LYS 15 0.085 7.421 4.715 98 HE3 LYS 15 HE3 LYS 15 0.389 7.841 3.030 99 HZ1 LYS 15 HZ1 LYS 15 0.608 5.326 4.294 100 HZ2 LYS 15 HZ2 LYS 15 2.111 5.763 3.654 101 HZ3 LYS 15 HZ3 LYS 15 0.750 5.704 2.651 102 H CYS 16 H CYS 16 1.873 12.662 4.777 103 HA CYS 16 HA CYS 16 3.374 12.309 7.102 104 HB2 CYS 16 HB2 CYS 16 1.478 14.027 6.479 105 HB3 CYS 16 HB3 CYS 16 0.436 12.852 7.275 106 H CYS 17 H CYS 17 3.341 10.875 8.749 107 HA CYS 17 HA CYS 17 2.361 8.292 8.361 108 HB2 CYS 17 HB2 CYS 17 3.015 9.579 11.018 109 HB3 CYS 17 HB3 CYS 17 3.011 7.856 10.654 110 H ASP 18 H ASP 18 0.958 11.056 10.015 111 HA ASP 18 HA ASP 18 -1.502 9.483 10.423 112 HB2 ASP 18 HB2 ASP 18 -0.339 11.697 12.118 113 HB3 ASP 18 HB3 ASP 18 -1.986 11.101 12.302 114 H LEU 19 H LEU 19 -2.030 10.160 8.221 115 HA LEU 19 HA LEU 19 -2.376 12.884 7.531 116 HB2 LEU 19 HB2 LEU 19 -3.679 10.418 6.389 117 HB3 LEU 19 HB3 LEU 19 -3.709 12.019 5.653 118 HG LEU 19 HG LEU 19 -1.205 10.406 6.126 119 HD11 LEU 19 HD11 LEU 19 -1.237 9.964 3.733 120 HD12 LEU 19 HD12 LEU 19 -2.785 10.796 3.588 121 HD13 LEU 19 HD13 LEU 19 -2.672 9.300 4.514 122 HD21 LEU 19 HD21 LEU 19 -0.072 12.041 4.889 123 HD22 LEU 19 HD22 LEU 19 -1.101 12.953 5.994 124 HD23 LEU 19 HD23 LEU 19 -1.571 12.764 4.304 125 H ASP 20 H ASP 20 -4.460 10.487 9.019 126 HA ASP 20 HA ASP 20 -6.919 11.786 8.769 127 HB2 ASP 20 HB2 ASP 20 -6.010 10.107 11.115 128 HB3 ASP 20 HB3 ASP 20 -7.672 10.408 10.614 129 H ASN 21 H ASN 21 -4.302 12.237 11.070 130 HA ASN 21 HA ASN 21 -5.848 14.209 12.562 131 HB2 ASN 21 HB2 ASN 21 -3.281 12.753 13.007 132 HB3 ASN 21 HB3 ASN 21 -3.505 14.307 13.805 133 HD21 ASN 21 HD21 ASN 21 -4.058 11.018 13.972 134 HD22 ASN 21 HD22 ASN 21 -5.205 11.011 15.264 135 H PHE 22 H PHE 22 -2.632 14.085 11.019 136 HA PHE 22 HA PHE 22 -2.668 16.994 10.769 137 HB2 PHE 22 HB2 PHE 22 -0.425 15.131 9.990 138 HB3 PHE 22 HB3 PHE 22 -0.330 16.859 10.315 139 HD1 PHE 22 HD1 PHE 22 0.932 14.109 11.552 140 HD2 PHE 22 HD2 PHE 22 -1.799 17.118 12.819 141 HE1 PHE 22 HE1 PHE 22 1.498 13.630 13.898 142 HE2 PHE 22 HE2 PHE 22 -1.237 16.644 15.167 143 HZ PHE 22 HZ PHE 22 0.414 14.899 15.709 144 H TYR 23 H TYR 23 -2.483 18.077 8.811 145 HA TYR 23 HA TYR 23 -2.933 16.443 6.401 146 HB2 TYR 23 HB2 TYR 23 -4.359 18.312 5.555 147 HB3 TYR 23 HB3 TYR 23 -5.025 17.497 6.966 148 HD1 TYR 23 HD1 TYR 23 -3.995 20.630 5.571 149 HD2 TYR 23 HD2 TYR 23 -4.711 18.601 9.241 150 HE1 TYR 23 HE1 TYR 23 -4.179 22.794 6.724 151 HE2 TYR 23 HE2 TYR 23 -4.898 20.759 10.405 152 HH TYR 23 HH TYR 23 -4.404 23.007 10.204 153 H CYS 24 H CYS 24 -2.518 17.790 4.359 154 HA CYS 24 HA CYS 24 0.002 19.261 4.746 155 HB2 CYS 24 HB2 CYS 24 -0.368 17.034 3.258 156 HB3 CYS 24 HB3 CYS 24 -0.703 18.268 2.047 157 HA PRO 25 HA PRO 25 -2.900 22.531 3.369 158 HB2 PRO 25 HB2 PRO 25 -1.616 24.516 4.704 159 HB3 PRO 25 HB3 PRO 25 -2.813 23.463 5.468 160 HG2 PRO 25 HG2 PRO 25 0.175 23.310 5.555 161 HG3 PRO 25 HG3 PRO 25 -0.995 23.093 6.870 162 HD2 PRO 25 HD2 PRO 25 0.178 21.006 5.605 163 HD3 PRO 25 HD3 PRO 25 -1.471 20.923 6.258 164 H MET 26 H MET 26 -2.454 24.566 2.198 165 HA MET 26 HA MET 26 -0.096 24.248 0.502 166 HB2 MET 26 HB2 MET 26 -2.393 24.463 -0.493 167 HB3 MET 26 HB3 MET 26 -2.440 26.113 0.114 168 HG2 MET 26 HG2 MET 26 -1.776 26.419 -2.061 169 HG3 MET 26 HG3 MET 26 -0.236 26.401 -1.206 170 HE1 MET 26 HE1 MET 26 1.062 23.300 -1.194 171 HE2 MET 26 HE2 MET 26 1.796 23.949 -2.660 172 HE3 MET 26 HE3 MET 26 1.428 25.022 -1.309 173 H GLU 27 H GLU 27 1.651 25.255 1.281 174 HA GLU 27 HA GLU 27 1.648 28.105 1.538 175 HB2 GLU 27 HB2 GLU 27 2.395 28.219 3.864 176 HB3 GLU 27 HB3 GLU 27 0.786 27.519 3.753 177 HG2 GLU 27 HG2 GLU 27 2.140 25.261 3.730 178 HG3 GLU 27 HG3 GLU 27 3.358 26.255 4.527 179 H PHE 28 H PHE 28 3.924 28.791 2.481 180 HA PHE 28 HA PHE 28 5.862 27.989 0.692 181 HB2 PHE 28 HB2 PHE 28 6.244 29.123 3.471 182 HB3 PHE 28 HB3 PHE 28 7.500 29.040 2.240 183 HD1 PHE 28 HD1 PHE 28 4.715 30.892 3.523 184 HD2 PHE 28 HD2 PHE 28 7.177 30.324 0.097 185 HE1 PHE 28 HE1 PHE 28 3.987 33.071 2.642 186 HE2 PHE 28 HE2 PHE 28 6.454 32.502 -0.788 187 HZ PHE 28 HZ PHE 28 4.857 33.879 0.485 188 H ILE 29 H ILE 29 5.660 27.028 4.122 189 HA ILE 29 HA ILE 29 7.097 24.556 3.407 190 HB ILE 29 HB ILE 29 7.307 25.927 6.083 191 HG12 ILE 29 HG12 ILE 29 9.762 26.247 4.993 192 HG13 ILE 29 HG13 ILE 29 8.767 26.394 3.548 193 HG21 ILE 29 HG21 ILE 29 7.762 23.399 5.681 194 HG22 ILE 29 HG22 ILE 29 9.257 23.972 4.942 195 HG23 ILE 29 HG23 ILE 29 8.905 24.351 6.628 196 HD11 ILE 29 HD11 ILE 29 7.445 28.012 5.280 197 HD12 ILE 29 HD12 ILE 29 9.119 28.233 5.788 198 HD13 ILE 29 HD13 ILE 29 8.656 28.547 4.116 199 HA PRO 30 HA PRO 30 3.158 23.026 5.020 200 HB2 PRO 30 HB2 PRO 30 3.444 20.546 3.952 201 HB3 PRO 30 HB3 PRO 30 2.874 21.934 3.018 202 HG2 PRO 30 HG2 PRO 30 5.611 20.728 3.137 203 HG3 PRO 30 HG3 PRO 30 4.701 21.301 1.727 204 HD2 PRO 30 HD2 PRO 30 6.654 22.768 2.896 205 HD3 PRO 30 HD3 PRO 30 5.239 23.508 2.120 206 H HIS 31 H HIS 31 2.755 21.972 6.886 207 HA HIS 31 HA HIS 31 4.800 20.158 7.957 208 HB2 HIS 31 HB2 HIS 31 3.445 22.362 9.526 209 HB3 HIS 31 HB3 HIS 31 4.548 21.161 10.190 210 HD1 HIS 31 HD1 HIS 31 4.611 24.525 9.378 211 HD2 HIS 31 HD2 HIS 31 7.123 21.360 8.415 212 HE1 HIS 31 HE1 HIS 31 6.810 25.577 8.760 213 H CYS 32 H CYS 32 3.954 18.873 9.834 214 HA CYS 32 HA CYS 32 1.203 18.047 9.242 215 HB2 CYS 32 HB2 CYS 32 3.565 16.652 10.472 216 HB3 CYS 32 HB3 CYS 32 1.934 16.026 10.693 217 H LYS 33 H LYS 33 0.277 19.812 10.443 218 HA LYS 33 HA LYS 33 0.481 19.482 13.364 219 HB2 LYS 33 HB2 LYS 33 -0.367 21.922 11.791 220 HB3 LYS 33 HB3 LYS 33 -0.287 21.812 13.544 221 HG2 LYS 33 HG2 LYS 33 2.088 21.444 11.736 222 HG3 LYS 33 HG3 LYS 33 1.638 22.981 12.479 223 HD2 LYS 33 HD2 LYS 33 2.029 22.155 14.656 224 HD3 LYS 33 HD3 LYS 33 2.093 20.484 14.093 225 HE2 LYS 33 HE2 LYS 33 4.214 20.724 13.212 226 HE3 LYS 33 HE3 LYS 33 4.058 22.471 13.040 227 HZ1 LYS 33 HZ1 LYS 33 5.552 21.592 14.884 228 HZ2 LYS 33 HZ2 LYS 33 4.127 21.189 15.701 229 HZ3 LYS 33 HZ3 LYS 33 4.443 22.801 15.298 230 H LYS 34 H LYS 34 -1.393 19.391 14.595 231 HA LYS 34 HA LYS 34 -3.648 18.204 13.344 232 HB2 LYS 34 HB2 LYS 34 -4.659 18.291 15.606 233 HB3 LYS 34 HB3 LYS 34 -3.047 17.588 15.604 234 HG2 LYS 34 HG2 LYS 34 -2.365 20.095 16.133 235 HG3 LYS 34 HG3 LYS 34 -4.010 20.134 16.772 236 HD2 LYS 34 HD2 LYS 34 -2.555 19.529 18.565 237 HD3 LYS 34 HD3 LYS 34 -3.448 18.081 18.096 238 HE2 LYS 34 HE2 LYS 34 -1.594 17.117 17.077 239 HE3 LYS 34 HE3 LYS 34 -0.762 18.663 16.909 240 HZ1 LYS 34 HZ1 LYS 34 -0.217 16.868 18.810 241 HZ2 LYS 34 HZ2 LYS 34 -1.320 17.852 19.633 242 HZ3 LYS 34 HZ3 LYS 34 0.083 18.526 18.968 243 H TYR 35 H TYR 35 -5.747 18.989 13.093 244 HA TYR 35 HA TYR 35 -6.062 21.553 12.128 245 HB2 TYR 35 HB2 TYR 35 -7.986 19.491 13.131 246 HB3 TYR 35 HB3 TYR 35 -8.582 21.095 12.720 247 HD1 TYR 35 HD1 TYR 35 -8.005 17.884 11.478 248 HD2 TYR 35 HD2 TYR 35 -7.732 21.977 10.350 249 HE1 TYR 35 HE1 TYR 35 -8.105 17.232 9.108 250 HE2 TYR 35 HE2 TYR 35 -7.832 21.336 7.977 251 HH TYR 35 HH TYR 35 -7.140 18.815 6.722 252 H LYS 36 H LYS 36 -7.099 23.426 12.935 253 HA LYS 36 HA LYS 36 -6.260 24.330 15.405 254 HB2 LYS 36 HB2 LYS 36 -8.387 25.219 13.500 255 HB3 LYS 36 HB3 LYS 36 -8.290 25.981 15.082 256 HG2 LYS 36 HG2 LYS 36 -5.767 26.270 14.457 257 HG3 LYS 36 HG3 LYS 36 -6.369 26.076 12.809 258 HD2 LYS 36 HD2 LYS 36 -7.544 28.041 12.862 259 HD3 LYS 36 HD3 LYS 36 -7.786 27.974 14.609 260 HE2 LYS 36 HE2 LYS 36 -6.259 29.681 14.447 261 HE3 LYS 36 HE3 LYS 36 -5.188 28.299 14.673 262 HZ1 LYS 36 HZ1 LYS 36 -4.796 28.219 12.318 263 HZ2 LYS 36 HZ2 LYS 36 -4.469 29.782 12.873 264 HZ3 LYS 36 HZ3 LYS 36 -5.905 29.465 12.038 265 HA PRO 37 HA PRO 37 -8.984 22.775 18.472 266 HB2 PRO 37 HB2 PRO 37 -9.313 24.922 20.100 267 HB3 PRO 37 HB3 PRO 37 -7.803 24.007 20.010 268 HG2 PRO 37 HG2 PRO 37 -8.533 26.594 18.691 269 HG3 PRO 37 HG3 PRO 37 -7.020 26.135 19.494 270 HD2 PRO 37 HD2 PRO 37 -7.303 26.118 16.801 271 HD3 PRO 37 HD3 PRO 37 -6.251 24.973 17.658 272 H TYR 38 H TYR 38 -11.111 23.037 19.501 273 HA TYR 38 HA TYR 38 -13.099 23.744 17.619 274 HB2 TYR 38 HB2 TYR 38 -13.187 22.958 20.524 275 HB3 TYR 38 HB3 TYR 38 -14.649 23.399 19.648 276 HD1 TYR 38 HD1 TYR 38 -12.576 20.732 20.580 277 HD2 TYR 38 HD2 TYR 38 -14.968 22.121 17.347 278 HE1 TYR 38 HE1 TYR 38 -12.750 18.431 19.728 279 HE2 TYR 38 HE2 TYR 38 -15.150 19.824 16.487 280 HH TYR 38 HH TYR 38 -14.924 17.345 17.800 281 H VAL 39 H VAL 39 -14.751 25.344 17.799 282 HA VAL 39 HA VAL 39 -13.750 27.910 18.545 283 HB VAL 39 HB VAL 39 -16.545 27.131 17.704 284 HG11 VAL 39 HG11 VAL 39 -16.863 29.468 17.182 285 HG12 VAL 39 HG12 VAL 39 -16.396 29.301 18.876 286 HG13 VAL 39 HG13 VAL 39 -15.212 29.836 17.682 287 HG21 VAL 39 HG21 VAL 39 -15.741 28.126 15.498 288 HG22 VAL 39 HG22 VAL 39 -14.110 27.946 16.144 289 HG23 VAL 39 HG23 VAL 39 -15.133 26.527 15.926 290 HA PRO 40 HA PRO 40 -15.116 27.947 22.752 291 HB2 PRO 40 HB2 PRO 40 -14.830 30.611 23.188 292 HB3 PRO 40 HB3 PRO 40 -13.459 29.499 23.105 293 HG2 PRO 40 HG2 PRO 40 -14.543 31.329 20.999 294 HG3 PRO 40 HG3 PRO 40 -12.856 31.009 21.443 295 HD2 PRO 40 HD2 PRO 40 -14.039 29.864 19.293 296 HD3 PRO 40 HD3 PRO 40 -12.780 29.045 20.240 297 H VAL 41 H VAL 41 -16.799 28.889 24.083 298 HA VAL 41 HA VAL 41 -19.249 29.223 22.652 299 HB VAL 41 HB VAL 41 -18.785 29.673 25.600 300 HG11 VAL 41 HG11 VAL 41 -20.918 30.503 24.853 301 HG12 VAL 41 HG12 VAL 41 -21.248 28.994 23.998 302 HG13 VAL 41 HG13 VAL 41 -21.169 29.012 25.760 303 HG21 VAL 41 HG21 VAL 41 -19.908 27.159 25.258 304 HG22 VAL 41 HG22 VAL 41 -18.644 27.243 24.031 305 HG23 VAL 41 HG23 VAL 41 -18.246 27.514 25.728 306 H THR 42 H THR 42 -20.623 31.026 22.620 307 HA THR 42 HA THR 42 -19.484 33.483 22.076 308 HB THR 42 HB THR 42 -21.728 33.009 21.343 309 HG1 THR 42 HG1 THR 42 -22.701 34.978 21.972 310 HG21 THR 42 HG21 THR 42 -23.233 33.434 23.737 311 HG22 THR 42 HG22 THR 42 -22.098 32.109 23.996 312 HG23 THR 42 HG23 THR 42 -23.243 32.041 22.657 313 H THR 43 H THR 43 -19.311 35.435 23.200 314 HA THR 43 HA THR 43 -18.890 36.800 24.974 315 HB THR 43 HB THR 43 -20.442 35.107 26.872 316 HG1 THR 43 HG1 THR 43 -22.298 35.370 25.833 317 HG21 THR 43 HG21 THR 43 -19.555 37.815 26.663 318 HG22 THR 43 HG22 THR 43 -20.371 37.021 28.009 319 HG23 THR 43 HG23 THR 43 -21.317 37.794 26.738 320 H SER 44 H SER 44 -17.107 34.649 24.414 321 HA SER 44 HA SER 44 -16.283 33.561 26.973 322 HB2 SER 44 HB2 SER 44 -14.309 32.761 25.387 323 HB3 SER 44 HB3 SER 44 -15.883 31.965 25.361 324 HG SER 44 HG SER 44 -14.968 33.986 23.588 325 H PHE 45 H PHE 45 -14.129 33.849 27.821 326 HA PHE 45 HA PHE 45 -13.202 36.597 27.456 327 HB2 PHE 45 HB2 PHE 45 -12.761 34.541 29.616 328 HB3 PHE 45 HB3 PHE 45 -11.825 36.031 29.539 329 HD1 PHE 45 HD1 PHE 45 -14.863 34.502 30.612 330 HD2 PHE 45 HD2 PHE 45 -13.090 38.234 29.591 331 HE1 PHE 45 HE1 PHE 45 -16.652 35.679 31.824 332 HE2 PHE 45 HE2 PHE 45 -14.876 39.417 30.801 333 HZ PHE 45 HZ PHE 45 -16.659 38.140 31.920 334 H ASN 46 H ASN 46 -11.523 36.994 26.190 335 HA ASN 46 HA ASN 46 -9.133 35.433 26.288 336 HB2 ASN 46 HB2 ASN 46 -10.619 34.069 24.774 337 HB3 ASN 46 HB3 ASN 46 -10.611 35.426 23.652 338 HD21 ASN 46 HD21 ASN 46 -9.405 34.835 21.996 339 HD22 ASN 46 HD22 ASN 46 -7.819 34.155 22.092 340 H CYS 47 H CYS 47 -7.385 36.568 25.562 341 HA CYS 47 HA CYS 47 -7.624 39.348 25.242 342 HB2 CYS 47 HB2 CYS 47 -5.203 39.252 24.619 343 HB3 CYS 47 HB3 CYS 47 -5.587 38.415 26.119 344 H ALA 48 H ALA 48 -6.850 40.622 23.381 345 HA ALA 48 HA ALA 48 -8.162 39.746 20.970 346 HB1 ALA 48 HB1 ALA 48 -6.709 42.281 21.695 347 HB2 ALA 48 HB2 ALA 48 -7.436 41.994 20.113 348 HB3 ALA 48 HB3 ALA 48 -8.450 42.030 21.556 349 H LYS 49 H LYS 49 -7.185 38.421 19.594 350 HA LYS 49 HA LYS 49 -4.331 38.150 19.484 351 HB2 LYS 49 HB2 LYS 49 -4.758 36.466 17.772 352 HB3 LYS 49 HB3 LYS 49 -5.822 36.224 19.151 353 HG2 LYS 49 HG2 LYS 49 -7.670 37.202 17.959 354 HG3 LYS 49 HG3 LYS 49 -6.619 37.616 16.603 355 HD2 LYS 49 HD2 LYS 49 -6.813 34.773 17.497 356 HD3 LYS 49 HD3 LYS 49 -8.108 35.465 16.517 357 HE2 LYS 49 HE2 LYS 49 -5.253 35.769 15.675 358 HE3 LYS 49 HE3 LYS 49 -6.112 34.262 15.360 359 HZ1 LYS 49 HZ1 LYS 49 -7.851 36.170 14.523 360 HZ2 LYS 49 HZ2 LYS 49 -6.823 35.273 13.524 361 HZ3 LYS 49 HZ3 LYS 49 -6.354 36.807 14.059 362 H GLU 50 H GLU 50 -3.224 38.151 17.285 363 HA GLU 50 HA GLU 50 -3.073 40.713 16.276 364 HB2 GLU 50 HB2 GLU 50 -1.425 38.811 15.959 365 HB3 GLU 50 HB3 GLU 50 -2.459 38.244 14.655 366 HG2 GLU 50 HG2 GLU 50 -1.454 41.054 14.647 367 HG3 GLU 50 HG3 GLU 50 -0.407 39.735 14.127 368 H GLY 51 H GLY 51 -4.305 41.906 14.979 369 HA2 GLY 51 HA2 GLY 51 -5.528 42.193 12.927 370 HA3 GLY 51 HA3 GLY 51 -6.096 40.537 13.083 371 H GLU 52 H GLU 52 -6.695 40.893 15.953 372 HA GLU 52 HA GLU 52 -9.395 41.648 15.715 373 HB2 GLU 52 HB2 GLU 52 -7.718 41.428 18.222 374 HB3 GLU 52 HB3 GLU 52 -9.475 41.452 18.159 375 HG2 GLU 52 HG2 GLU 52 -7.716 39.339 16.936 376 HG3 GLU 52 HG3 GLU 52 -8.583 39.196 18.464 377 H VAL 53 H VAL 53 -10.517 43.416 16.686 378 HA VAL 53 HA VAL 53 -9.031 45.909 16.477 379 HB VAL 53 HB VAL 53 -11.987 45.550 16.976 380 HG11 VAL 53 HG11 VAL 53 -11.303 47.756 17.529 381 HG12 VAL 53 HG12 VAL 53 -10.302 47.880 16.081 382 HG13 VAL 53 HG13 VAL 53 -12.060 47.841 15.939 383 HG21 VAL 53 HG21 VAL 53 -12.211 45.986 14.525 384 HG22 VAL 53 HG22 VAL 53 -10.468 45.758 14.380 385 HG23 VAL 53 HG23 VAL 53 -11.489 44.427 14.923 386 H CYS 54 H CYS 54 -8.995 47.508 18.090 387 HA CYS 54 HA CYS 54 -9.526 46.500 20.808 388 HB2 CYS 54 HB2 CYS 54 -7.447 48.553 20.039 389 HB3 CYS 54 HB3 CYS 54 -7.647 47.772 21.604 390 H GLY 55 H GLY 55 -10.058 48.143 22.424 391 HA2 GLY 55 HA2 GLY 55 -10.634 50.568 22.699 392 HA3 GLY 55 HA3 GLY 55 -11.543 50.389 21.205 393 H TRP 56 H TRP 56 -12.561 47.750 21.882 394 HA TRP 56 HA TRP 56 -14.662 48.617 23.729 395 HB2 TRP 56 HB2 TRP 56 -14.511 46.567 21.549 396 HB3 TRP 56 HB3 TRP 56 -15.724 46.400 22.815 397 HD1 TRP 56 HD1 TRP 56 -14.733 48.714 19.915 398 HE1 TRP 56 HE1 TRP 56 -16.776 50.146 19.282 399 HE3 TRP 56 HE3 TRP 56 -17.888 47.344 23.697 400 HZ2 TRP 56 HZ2 TRP 56 -19.380 50.631 20.258 401 HZ3 TRP 56 HZ3 TRP 56 -20.137 48.338 23.776 402 HH2 TRP 56 HH2 TRP 56 -20.865 49.949 22.091 403 H GLY 57 H GLY 57 -12.584 48.171 25.233 404 HA2 GLY 57 HA2 GLY 57 -11.857 46.978 27.055 405 HA3 GLY 57 HA3 GLY 57 -13.339 46.043 26.921 406 H SER 58 H SER 58 -10.930 46.269 24.381 407 HA SER 58 HA SER 58 -10.297 43.426 24.831 408 HB2 SER 58 HB2 SER 58 -11.001 44.932 22.385 409 HB3 SER 58 HB3 SER 58 -9.675 43.782 22.215 410 HG SER 58 HG SER 58 -12.211 43.156 23.323 411 H LYS 59 H LYS 59 -8.298 43.127 25.528 412 HA LYS 59 HA LYS 59 -6.220 45.063 24.759 413 HB2 LYS 59 HB2 LYS 59 -6.464 43.228 27.141 414 HB3 LYS 59 HB3 LYS 59 -4.974 44.069 26.737 415 HG2 LYS 59 HG2 LYS 59 -5.880 45.510 28.260 416 HG3 LYS 59 HG3 LYS 59 -6.518 46.183 26.758 417 HD2 LYS 59 HD2 LYS 59 -8.285 46.059 28.401 418 HD3 LYS 59 HD3 LYS 59 -8.601 44.897 27.111 419 HE2 LYS 59 HE2 LYS 59 -7.958 43.075 28.457 420 HE3 LYS 59 HE3 LYS 59 -7.191 44.123 29.649 421 HZ1 LYS 59 HZ1 LYS 59 -9.916 43.283 29.458 422 HZ2 LYS 59 HZ2 LYS 59 -9.786 44.965 29.579 423 HZ3 LYS 59 HZ3 LYS 59 -9.093 43.976 30.764 424 H CYS 60 H CYS 60 -4.550 44.430 23.544 425 HA CYS 60 HA CYS 60 -4.522 41.986 22.201 426 HB2 CYS 60 HB2 CYS 60 -2.273 43.954 22.670 427 HB3 CYS 60 HB3 CYS 60 -2.203 42.620 21.523 428 H CYS 61 H CYS 61 -3.126 40.182 22.337 429 HA CYS 61 HA CYS 61 -2.659 39.277 24.997 430 HB2 CYS 61 HB2 CYS 61 -1.626 38.013 22.456 431 HB3 CYS 61 HB3 CYS 61 -1.932 37.224 24.000 432 H HIS 62 H HIS 62 -0.485 38.220 25.547 433 HA HIS 62 HA HIS 62 1.448 40.186 25.870 434 HB2 HIS 62 HB2 HIS 62 1.157 37.919 27.086 435 HB3 HIS 62 HB3 HIS 62 2.161 37.266 25.795 436 HD1 HIS 62 HD1 HIS 62 4.186 36.760 27.238 437 HD2 HIS 62 HD2 HIS 62 2.960 40.723 27.470 438 HE1 HIS 62 HE1 HIS 62 6.022 37.961 28.467 439 H GLY 63 H GLY 63 2.913 41.054 24.557 440 HA2 GLY 63 HA2 GLY 63 4.701 40.893 22.987 441 HA3 GLY 63 HA3 GLY 63 3.942 39.456 22.317 442 H LEU 64 H LEU 64 1.293 40.925 22.401 443 HA LEU 64 HA LEU 64 1.665 42.305 19.844 444 HB2 LEU 64 HB2 LEU 64 -0.804 41.217 21.185 445 HB3 LEU 64 HB3 LEU 64 -0.804 42.080 19.648 446 HG LEU 64 HG LEU 64 0.876 39.631 19.922 447 HD11 LEU 64 HD11 LEU 64 -0.948 38.502 20.625 448 HD12 LEU 64 HD12 LEU 64 -1.374 38.573 18.916 449 HD13 LEU 64 HD13 LEU 64 -2.071 39.733 20.046 450 HD21 LEU 64 HD21 LEU 64 -0.165 41.356 17.822 451 HD22 LEU 64 HD22 LEU 64 -0.445 39.643 17.505 452 HD23 LEU 64 HD23 LEU 64 1.193 40.230 17.796 453 H ASP 65 H ASP 65 0.378 44.252 19.426 454 HA ASP 65 HA ASP 65 -0.521 45.760 21.735 455 HB2 ASP 65 HB2 ASP 65 2.034 46.088 21.374 456 HB3 ASP 65 HB3 ASP 65 1.548 47.063 19.990 457 H CYS 66 H CYS 66 -1.587 47.779 21.132 458 HA CYS 66 HA CYS 66 -2.597 47.694 18.364 459 HB2 CYS 66 HB2 CYS 66 -4.005 47.573 20.840 460 HB3 CYS 66 HB3 CYS 66 -4.407 49.099 20.059 461 HA PRO 67 HA PRO 67 -0.864 51.747 17.975 462 HB2 PRO 67 HB2 PRO 67 -2.053 52.399 15.623 463 HB3 PRO 67 HB3 PRO 67 -0.690 51.279 15.732 464 HG2 PRO 67 HG2 PRO 67 -3.615 50.686 15.495 465 HG3 PRO 67 HG3 PRO 67 -2.247 49.920 14.666 466 HD2 PRO 67 HD2 PRO 67 -3.464 48.800 16.810 467 HD3 PRO 67 HD3 PRO 67 -1.733 48.589 16.476 468 H LEU 68 H LEU 68 -1.608 53.997 17.689 469 HA LEU 68 HA LEU 68 -4.188 54.382 19.014 470 HB2 LEU 68 HB2 LEU 68 -1.692 55.986 18.753 471 HB3 LEU 68 HB3 LEU 68 -3.213 56.828 19.046 472 HG LEU 68 HG LEU 68 -3.509 55.671 21.137 473 HD11 LEU 68 HD11 LEU 68 -0.939 54.225 20.515 474 HD12 LEU 68 HD12 LEU 68 -2.551 53.514 20.452 475 HD13 LEU 68 HD13 LEU 68 -1.897 54.079 21.989 476 HD21 LEU 68 HD21 LEU 68 -1.133 57.255 20.546 477 HD22 LEU 68 HD22 LEU 68 -0.972 56.266 21.997 478 HD23 LEU 68 HD23 LEU 68 -2.306 57.411 21.854 479 H ALA 69 H ALA 69 -5.686 54.242 17.387 480 HA ALA 69 HA ALA 69 -5.938 56.551 15.690 481 HB1 ALA 69 HB1 ALA 69 -4.460 55.214 14.307 482 HB2 ALA 69 HB2 ALA 69 -5.563 53.841 14.421 483 HB3 ALA 69 HB3 ALA 69 -6.063 55.306 13.576 484 H PHE 70 H PHE 70 -7.894 55.899 14.019 485 HA PHE 70 HA PHE 70 -10.190 55.830 15.551 486 HB2 PHE 70 HB2 PHE 70 -9.939 54.885 12.688 487 HB3 PHE 70 HB3 PHE 70 -11.410 55.438 13.480 488 HD1 PHE 70 HD1 PHE 70 -8.980 56.367 11.240 489 HD2 PHE 70 HD2 PHE 70 -11.046 57.866 14.646 490 HE1 PHE 70 HE1 PHE 70 -8.498 58.668 10.515 491 HE2 PHE 70 HE2 PHE 70 -10.567 60.170 13.926 492 HZ PHE 70 HZ PHE 70 -9.291 60.573 11.859 493 H ILE 71 H ILE 71 -9.143 53.156 13.434 494 HA ILE 71 HA ILE 71 -10.206 51.277 15.438 495 HB ILE 71 HB ILE 71 -10.382 50.877 12.453 496 HG12 ILE 71 HG12 ILE 71 -12.955 51.067 13.273 497 HG13 ILE 71 HG13 ILE 71 -12.195 52.208 14.377 498 HG21 ILE 71 HG21 ILE 71 -11.697 49.369 14.707 499 HG22 ILE 71 HG22 ILE 71 -11.774 48.987 12.988 500 HG23 ILE 71 HG23 ILE 71 -10.246 48.840 13.856 501 HD11 ILE 71 HD11 ILE 71 -12.548 52.350 11.441 502 HD12 ILE 71 HD12 ILE 71 -12.694 53.609 12.668 503 HD13 ILE 71 HD13 ILE 71 -11.099 53.078 12.135 504 HA PRO 72 HA PRO 72 -5.794 50.229 14.640 505 HB2 PRO 72 HB2 PRO 72 -5.282 49.513 17.208 506 HB3 PRO 72 HB3 PRO 72 -5.194 51.185 16.642 507 HG2 PRO 72 HG2 PRO 72 -7.400 49.798 18.115 508 HG3 PRO 72 HG3 PRO 72 -6.735 51.422 18.367 509 HD2 PRO 72 HD2 PRO 72 -9.043 50.986 17.020 510 HD3 PRO 72 HD3 PRO 72 -7.946 52.325 16.626 511 H TYR 73 H TYR 73 -4.641 48.160 15.115 512 HA TYR 73 HA TYR 73 -6.398 45.889 15.657 513 HB2 TYR 73 HB2 TYR 73 -4.657 45.980 13.189 514 HB3 TYR 73 HB3 TYR 73 -5.789 44.713 13.649 515 HD1 TYR 73 HD1 TYR 73 -8.286 45.459 13.879 516 HD2 TYR 73 HD2 TYR 73 -5.339 47.626 11.707 517 HE1 TYR 73 HE1 TYR 73 -10.062 46.573 12.593 518 HE2 TYR 73 HE2 TYR 73 -7.107 48.747 10.415 519 HH TYR 73 HH TYR 73 -10.521 47.913 10.866 520 H CYS 74 H CYS 74 -5.421 44.338 16.808 521 HA CYS 74 HA CYS 74 -2.980 44.691 18.043 522 HB2 CYS 74 HB2 CYS 74 -4.606 42.212 17.509 523 HB3 CYS 74 HB3 CYS 74 -3.096 42.145 18.412 524 H GLU 75 H GLU 75 -0.894 44.079 17.664 525 HA GLU 75 HA GLU 75 -0.194 42.380 15.448 526 HB2 GLU 75 HB2 GLU 75 1.134 44.046 14.244 527 HB3 GLU 75 HB3 GLU 75 -0.564 44.498 14.279 528 HG2 GLU 75 HG2 GLU 75 0.074 45.922 16.321 529 HG3 GLU 75 HG3 GLU 75 1.733 45.705 15.765 530 H LYS 76 H LYS 76 1.841 41.531 15.640 531 HA LYS 76 HA LYS 76 3.054 41.399 18.112 532 HB2 LYS 76 HB2 LYS 76 4.294 40.995 15.385 533 HB3 LYS 76 HB3 LYS 76 5.047 40.511 16.899 534 HG2 LYS 76 HG2 LYS 76 2.336 39.516 16.089 535 HG3 LYS 76 HG3 LYS 76 3.824 38.721 15.570 536 HD2 LYS 76 HD2 LYS 76 4.391 38.810 18.132 537 HD3 LYS 76 HD3 LYS 76 2.639 38.949 18.300 538 HE2 LYS 76 HE2 LYS 76 3.206 36.634 18.446 539 HE3 LYS 76 HE3 LYS 76 2.420 36.899 16.890 540 HZ1 LYS 76 HZ1 LYS 76 4.197 36.104 15.870 541 HZ2 LYS 76 HZ2 LYS 76 4.916 35.772 17.365 542 HZ3 LYS 76 HZ3 LYS 76 5.196 37.256 16.603 543 H TYR 77 H TYR 77 4.086 42.865 19.280 544 HA TYR 77 HA TYR 77 4.752 45.423 18.463 545 HB2 TYR 77 HB2 TYR 77 4.544 44.667 20.829 546 HB3 TYR 77 HB3 TYR 77 6.102 43.862 20.675 547 HD1 TYR 77 HD1 TYR 77 7.599 45.012 22.020 548 HD2 TYR 77 HD2 TYR 77 4.961 47.224 19.520 549 HE1 TYR 77 HE1 TYR 77 8.741 47.092 22.666 550 HE2 TYR 77 HE2 TYR 77 6.096 49.310 20.158 551 HH TYR 77 HH TYR 77 9.074 49.356 21.798 552 H ARG 78 H ARG 78 6.357 46.278 17.315 553 HA ARG 78 HA ARG 78 8.254 44.695 15.977 554 HB2 ARG 78 HB2 ARG 78 7.491 46.827 15.079 555 HB3 ARG 78 HB3 ARG 78 8.206 47.682 16.439 556 HG2 ARG 78 HG2 ARG 78 10.339 47.448 15.647 557 HG3 ARG 78 HG3 ARG 78 9.960 45.980 14.745 558 HD2 ARG 78 HD2 ARG 78 8.849 48.672 13.998 559 HD3 ARG 78 HD3 ARG 78 10.395 48.084 13.387 560 HE ARG 78 HE ARG 78 8.705 46.069 12.786 561 HH11 ARG 78 HH11 ARG 78 8.601 49.503 12.226 562 HH12 ARG 78 HH12 ARG 78 7.688 49.368 10.760 563 HH21 ARG 78 HH21 ARG 78 7.503 45.878 10.857 564 HH22 ARG 78 HH22 ARG 78 7.063 47.306 9.983 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -6.925 3.190 -7.824 2 HA2 GLY 1 HA2 GLY 1 -5.918 5.751 -8.358 3 HA3 GLY 1 HA3 GLY 1 -7.061 5.888 -7.030 4 H ASP 2 H ASP 2 -4.787 6.661 -6.216 5 HA ASP 2 HA ASP 2 -3.761 4.465 -4.591 6 HB2 ASP 2 HB2 ASP 2 -1.397 5.306 -5.027 7 HB3 ASP 2 HB3 ASP 2 -2.160 4.410 -6.337 8 H CYS 3 H CYS 3 -2.225 5.333 -2.877 9 HA CYS 3 HA CYS 3 -2.256 8.073 -2.185 10 HB2 CYS 3 HB2 CYS 3 -3.753 7.981 -0.236 11 HB3 CYS 3 HB3 CYS 3 -4.624 7.653 -1.731 12 H ALA 4 H ALA 4 -1.607 8.332 0.226 13 HA ALA 4 HA ALA 4 0.408 6.267 0.792 14 HB1 ALA 4 HB1 ALA 4 0.337 9.116 1.777 15 HB2 ALA 4 HB2 ALA 4 1.657 7.961 1.962 16 HB3 ALA 4 HB3 ALA 4 1.230 8.562 0.360 17 H LYS 5 H LYS 5 0.005 4.933 2.418 18 HA LYS 5 HA LYS 5 -2.179 5.119 4.142 19 HB2 LYS 5 HB2 LYS 5 0.020 3.329 3.716 20 HB3 LYS 5 HB3 LYS 5 -0.177 3.593 5.443 21 HG2 LYS 5 HG2 LYS 5 -1.442 1.655 4.654 22 HG3 LYS 5 HG3 LYS 5 -2.496 2.906 5.316 23 HD2 LYS 5 HD2 LYS 5 -3.409 1.957 3.250 24 HD3 LYS 5 HD3 LYS 5 -3.026 3.670 3.062 25 HE2 LYS 5 HE2 LYS 5 -1.605 3.236 1.406 26 HE3 LYS 5 HE3 LYS 5 -0.755 2.035 2.377 27 HZ1 LYS 5 HZ1 LYS 5 -3.311 1.438 1.009 28 HZ2 LYS 5 HZ2 LYS 5 -2.191 0.346 1.651 29 HZ3 LYS 5 HZ3 LYS 5 -1.812 1.222 0.255 30 H GLU 6 H GLU 6 -1.821 4.973 6.644 31 HA GLU 6 HA GLU 6 -0.926 7.541 7.478 32 HB2 GLU 6 HB2 GLU 6 -2.806 6.404 8.565 33 HB3 GLU 6 HB3 GLU 6 -1.727 5.132 9.120 34 HG2 GLU 6 HG2 GLU 6 -0.500 6.773 10.465 35 HG3 GLU 6 HG3 GLU 6 -1.617 8.028 9.931 36 H GLY 7 H GLY 7 0.912 8.170 8.493 37 HA2 GLY 7 HA2 GLY 7 2.908 7.865 9.716 38 HA3 GLY 7 HA3 GLY 7 2.828 6.143 9.373 39 H GLU 8 H GLU 8 2.331 6.656 6.494 40 HA GLU 8 HA GLU 8 5.065 6.696 5.670 41 HB2 GLU 8 HB2 GLU 8 2.441 6.511 4.218 42 HB3 GLU 8 HB3 GLU 8 3.949 6.694 3.334 43 HG2 GLU 8 HG2 GLU 8 3.180 4.443 5.173 44 HG3 GLU 8 HG3 GLU 8 3.384 4.376 3.423 45 H VAL 9 H VAL 9 5.906 8.124 3.966 46 HA VAL 9 HA VAL 9 5.441 10.877 4.649 47 HB VAL 9 HB VAL 9 7.190 9.812 2.432 48 HG11 VAL 9 HG11 VAL 9 6.808 12.177 2.257 49 HG12 VAL 9 HG12 VAL 9 7.177 12.406 3.968 50 HG13 VAL 9 HG13 VAL 9 8.448 11.912 2.849 51 HG21 VAL 9 HG21 VAL 9 7.728 10.119 5.373 52 HG22 VAL 9 HG22 VAL 9 7.950 8.692 4.361 53 HG23 VAL 9 HG23 VAL 9 9.022 10.080 4.176 54 H CYS 10 H CYS 10 4.774 12.537 3.244 55 HA CYS 10 HA CYS 10 3.114 11.602 0.996 56 HB2 CYS 10 HB2 CYS 10 1.649 13.468 1.386 57 HB3 CYS 10 HB3 CYS 10 1.901 12.647 2.923 58 H SER 11 H SER 11 3.223 12.640 -0.968 59 HA SER 11 HA SER 11 5.186 14.808 -1.246 60 HB2 SER 11 HB2 SER 11 6.218 13.770 -3.151 61 HB3 SER 11 HB3 SER 11 6.205 12.582 -1.848 62 HG SER 11 HG SER 11 5.491 11.573 -3.697 63 H TRP 12 H TRP 12 5.084 15.336 -3.856 64 HA TRP 12 HA TRP 12 2.573 16.609 -4.171 65 HB2 TRP 12 HB2 TRP 12 4.774 17.419 -5.098 66 HB3 TRP 12 HB3 TRP 12 4.649 16.157 -6.320 67 HD1 TRP 12 HD1 TRP 12 3.396 19.610 -5.469 68 HE1 TRP 12 HE1 TRP 12 1.905 20.475 -7.380 69 HE3 TRP 12 HE3 TRP 12 2.926 15.285 -8.153 70 HZ2 TRP 12 HZ2 TRP 12 0.690 19.458 -9.716 71 HZ3 TRP 12 HZ3 TRP 12 1.582 15.316 -10.214 72 HH2 TRP 12 HH2 TRP 12 0.487 17.360 -10.977 73 H GLY 13 H GLY 13 4.019 13.717 -5.605 74 HA2 GLY 13 HA2 GLY 13 1.683 13.251 -7.267 75 HA3 GLY 13 HA3 GLY 13 3.125 12.250 -7.188 76 H LYS 14 H LYS 14 2.900 12.232 -4.185 77 HA LYS 14 HA LYS 14 0.885 10.100 -4.047 78 HB2 LYS 14 HB2 LYS 14 3.438 9.848 -3.423 79 HB3 LYS 14 HB3 LYS 14 2.914 10.551 -1.898 80 HG2 LYS 14 HG2 LYS 14 2.734 8.308 -1.458 81 HG3 LYS 14 HG3 LYS 14 1.093 8.691 -1.983 82 HD2 LYS 14 HD2 LYS 14 1.473 6.835 -3.257 83 HD3 LYS 14 HD3 LYS 14 2.099 8.069 -4.353 84 HE2 LYS 14 HE2 LYS 14 4.363 7.653 -3.260 85 HE3 LYS 14 HE3 LYS 14 3.633 6.212 -2.555 86 HZ1 LYS 14 HZ1 LYS 14 3.561 6.723 -5.466 87 HZ2 LYS 14 HZ2 LYS 14 3.323 5.261 -4.649 88 HZ3 LYS 14 HZ3 LYS 14 4.870 5.940 -4.735 89 H LYS 15 H LYS 15 -0.996 10.677 -3.200 90 HA LYS 15 HA LYS 15 -1.052 12.798 -1.165 91 HB2 LYS 15 HB2 LYS 15 -3.053 11.822 -3.174 92 HB3 LYS 15 HB3 LYS 15 -3.599 12.667 -1.732 93 HG2 LYS 15 HG2 LYS 15 -3.427 14.381 -3.252 94 HG3 LYS 15 HG3 LYS 15 -1.861 14.462 -2.442 95 HD2 LYS 15 HD2 LYS 15 -1.427 14.636 -4.766 96 HD3 LYS 15 HD3 LYS 15 -0.962 13.000 -4.294 97 HE2 LYS 15 HE2 LYS 15 -2.865 12.056 -5.288 98 HE3 LYS 15 HE3 LYS 15 -3.691 13.610 -5.386 99 HZ1 LYS 15 HZ1 LYS 15 -2.959 13.691 -7.467 100 HZ2 LYS 15 HZ2 LYS 15 -1.896 12.394 -7.244 101 HZ3 LYS 15 HZ3 LYS 15 -1.410 13.964 -6.842 102 H CYS 16 H CYS 16 -1.544 12.320 0.875 103 HA CYS 16 HA CYS 16 -1.712 9.755 1.877 104 HB2 CYS 16 HB2 CYS 16 -1.432 12.110 3.047 105 HB3 CYS 16 HB3 CYS 16 -3.165 11.940 3.306 106 H CYS 17 H CYS 17 -3.335 8.351 2.412 107 HA CYS 17 HA CYS 17 -5.661 8.332 0.858 108 HB2 CYS 17 HB2 CYS 17 -5.230 6.852 3.460 109 HB3 CYS 17 HB3 CYS 17 -6.341 6.414 2.166 110 H ASP 18 H ASP 18 -5.065 9.488 4.122 111 HA ASP 18 HA ASP 18 -7.831 10.503 4.201 112 HB2 ASP 18 HB2 ASP 18 -7.018 8.697 5.923 113 HB3 ASP 18 HB3 ASP 18 -6.233 10.070 6.698 114 H LEU 19 H LEU 19 -6.927 12.358 3.032 115 HA LEU 19 HA LEU 19 -4.955 14.032 4.185 116 HB2 LEU 19 HB2 LEU 19 -7.130 14.661 2.195 117 HB3 LEU 19 HB3 LEU 19 -5.783 15.727 2.589 118 HG LEU 19 HG LEU 19 -5.516 12.999 1.327 119 HD11 LEU 19 HD11 LEU 19 -6.461 14.261 -0.362 120 HD12 LEU 19 HD12 LEU 19 -4.736 14.517 -0.625 121 HD13 LEU 19 HD13 LEU 19 -5.698 15.755 0.183 122 HD21 LEU 19 HD21 LEU 19 -3.215 13.538 1.027 123 HD22 LEU 19 HD22 LEU 19 -3.603 13.807 2.727 124 HD23 LEU 19 HD23 LEU 19 -3.459 15.179 1.626 125 H ASP 20 H ASP 20 -8.454 13.880 4.448 126 HA ASP 20 HA ASP 20 -8.939 16.342 5.667 127 HB2 ASP 20 HB2 ASP 20 -10.349 13.689 6.008 128 HB3 ASP 20 HB3 ASP 20 -10.962 15.216 6.637 129 H ASN 21 H ASN 21 -7.809 13.298 7.014 130 HA ASN 21 HA ASN 21 -7.859 14.380 9.720 131 HB2 ASN 21 HB2 ASN 21 -7.509 11.682 8.516 132 HB3 ASN 21 HB3 ASN 21 -6.723 11.980 10.064 133 HD21 ASN 21 HD21 ASN 21 -9.199 10.457 8.995 134 HD22 ASN 21 HD22 ASN 21 -10.414 10.839 10.163 135 H PHE 22 H PHE 22 -5.436 12.813 7.619 136 HA PHE 22 HA PHE 22 -3.311 14.089 9.161 137 HB2 PHE 22 HB2 PHE 22 -2.979 12.154 6.870 138 HB3 PHE 22 HB3 PHE 22 -1.806 12.561 8.118 139 HD1 PHE 22 HD1 PHE 22 -3.366 9.886 7.094 140 HD2 PHE 22 HD2 PHE 22 -3.402 12.360 10.558 141 HE1 PHE 22 HE1 PHE 22 -4.147 7.982 8.442 142 HE2 PHE 22 HE2 PHE 22 -4.182 10.460 11.911 143 HZ PHE 22 HZ PHE 22 -4.557 8.267 10.854 144 H TYR 23 H TYR 23 -1.845 15.527 8.312 145 HA TYR 23 HA TYR 23 -2.328 16.454 5.561 146 HB2 TYR 23 HB2 TYR 23 -2.047 18.772 6.299 147 HB3 TYR 23 HB3 TYR 23 -3.403 18.013 7.125 148 HD1 TYR 23 HD1 TYR 23 -0.493 19.948 7.547 149 HD2 TYR 23 HD2 TYR 23 -2.833 16.958 9.466 150 HE1 TYR 23 HE1 TYR 23 0.481 20.585 9.714 151 HE2 TYR 23 HE2 TYR 23 -1.867 17.587 11.638 152 HH TYR 23 HH TYR 23 -0.380 20.364 12.255 153 H CYS 24 H CYS 24 -0.474 18.100 4.980 154 HA CYS 24 HA CYS 24 2.054 16.769 5.688 155 HB2 CYS 24 HB2 CYS 24 1.347 18.367 3.217 156 HB3 CYS 24 HB3 CYS 24 2.908 17.616 3.532 157 HA PRO 25 HA PRO 25 2.473 20.870 7.687 158 HB2 PRO 25 HB2 PRO 25 4.095 19.965 9.667 159 HB3 PRO 25 HB3 PRO 25 2.333 19.856 9.744 160 HG2 PRO 25 HG2 PRO 25 4.330 17.756 8.991 161 HG3 PRO 25 HG3 PRO 25 2.890 17.615 10.017 162 HD2 PRO 25 HD2 PRO 25 2.924 16.804 7.433 163 HD3 PRO 25 HD3 PRO 25 1.466 17.452 8.212 164 H MET 26 H MET 26 4.421 22.149 8.145 165 HA MET 26 HA MET 26 6.436 21.690 6.127 166 HB2 MET 26 HB2 MET 26 5.996 23.924 8.108 167 HB3 MET 26 HB3 MET 26 7.341 23.890 6.976 168 HG2 MET 26 HG2 MET 26 4.446 23.808 6.167 169 HG3 MET 26 HG3 MET 26 5.419 25.275 6.245 170 HE1 MET 26 HE1 MET 26 5.102 21.996 3.330 171 HE2 MET 26 HE2 MET 26 4.007 22.674 4.534 172 HE3 MET 26 HE3 MET 26 4.197 23.466 2.969 173 H GLU 27 H GLU 27 7.878 20.141 6.633 174 HA GLU 27 HA GLU 27 9.761 20.643 8.729 175 HB2 GLU 27 HB2 GLU 27 9.428 18.510 9.926 176 HB3 GLU 27 HB3 GLU 27 8.047 19.587 10.081 177 HG2 GLU 27 HG2 GLU 27 7.014 18.288 8.158 178 HG3 GLU 27 HG3 GLU 27 8.292 17.102 8.422 179 H PHE 28 H PHE 28 11.374 18.741 8.856 180 HA PHE 28 HA PHE 28 12.571 18.384 6.397 181 HB2 PHE 28 HB2 PHE 28 12.780 16.646 8.863 182 HB3 PHE 28 HB3 PHE 28 13.875 16.556 7.487 183 HD1 PHE 28 HD1 PHE 28 13.293 18.025 10.635 184 HD2 PHE 28 HD2 PHE 28 15.061 18.779 6.837 185 HE1 PHE 28 HE1 PHE 28 14.688 19.787 11.637 186 HE2 PHE 28 HE2 PHE 28 16.459 20.541 7.834 187 HZ PHE 28 HZ PHE 28 16.274 21.047 10.237 188 H ILE 29 H ILE 29 10.728 15.920 8.202 189 HA ILE 29 HA ILE 29 10.086 14.657 5.618 190 HB ILE 29 HB ILE 29 10.414 13.162 8.216 191 HG12 ILE 29 HG12 ILE 29 12.499 12.310 6.754 192 HG13 ILE 29 HG13 ILE 29 12.397 13.960 6.151 193 HG21 ILE 29 HG21 ILE 29 10.080 11.225 7.018 194 HG22 ILE 29 HG22 ILE 29 8.986 12.335 6.194 195 HG23 ILE 29 HG23 ILE 29 10.558 11.961 5.488 196 HD11 ILE 29 HD11 ILE 29 12.277 14.458 8.768 197 HD12 ILE 29 HD12 ILE 29 13.196 12.953 8.803 198 HD13 ILE 29 HD13 ILE 29 13.794 14.330 7.879 199 HA PRO 30 HA PRO 30 6.018 15.742 7.274 200 HB2 PRO 30 HB2 PRO 30 4.748 15.493 4.888 201 HB3 PRO 30 HB3 PRO 30 5.659 16.937 5.345 202 HG2 PRO 30 HG2 PRO 30 6.492 14.643 3.613 203 HG3 PRO 30 HG3 PRO 30 6.749 16.380 3.368 204 HD2 PRO 30 HD2 PRO 30 8.682 14.741 4.324 205 HD3 PRO 30 HD3 PRO 30 8.548 16.444 4.808 206 H HIS 31 H HIS 31 4.923 14.237 8.353 207 HA HIS 31 HA HIS 31 4.492 11.616 7.076 208 HB2 HIS 31 HB2 HIS 31 4.486 12.194 10.042 209 HB3 HIS 31 HB3 HIS 31 4.448 10.615 9.264 210 HD1 HIS 31 HD1 HIS 31 6.705 12.728 10.956 211 HD2 HIS 31 HD2 HIS 31 6.980 10.353 7.558 212 HE1 HIS 31 HE1 HIS 31 9.164 12.328 10.612 213 H CYS 32 H CYS 32 2.469 10.534 7.562 214 HA CYS 32 HA CYS 32 0.255 12.400 7.520 215 HB2 CYS 32 HB2 CYS 32 0.525 9.440 7.064 216 HB3 CYS 32 HB3 CYS 32 -1.060 10.183 7.257 217 H LYS 33 H LYS 33 0.630 13.098 9.764 218 HA LYS 33 HA LYS 33 -0.496 11.202 11.718 219 HB2 LYS 33 HB2 LYS 33 0.626 12.607 13.446 220 HB3 LYS 33 HB3 LYS 33 1.744 11.816 12.342 221 HG2 LYS 33 HG2 LYS 33 1.921 13.926 11.069 222 HG3 LYS 33 HG3 LYS 33 0.884 14.701 12.268 223 HD2 LYS 33 HD2 LYS 33 3.422 13.291 13.041 224 HD3 LYS 33 HD3 LYS 33 3.414 14.981 12.530 225 HE2 LYS 33 HE2 LYS 33 1.930 15.570 14.328 226 HE3 LYS 33 HE3 LYS 33 1.736 13.877 14.779 227 HZ1 LYS 33 HZ1 LYS 33 3.353 15.291 16.123 228 HZ2 LYS 33 HZ2 LYS 33 4.392 15.169 14.794 229 HZ3 LYS 33 HZ3 LYS 33 3.891 13.773 15.607 230 H LYS 34 H LYS 34 -2.097 11.906 13.138 231 HA LYS 34 HA LYS 34 -3.944 13.769 12.103 232 HB2 LYS 34 HB2 LYS 34 -4.317 11.761 13.703 233 HB3 LYS 34 HB3 LYS 34 -3.924 12.904 14.981 234 HG2 LYS 34 HG2 LYS 34 -6.219 13.023 14.910 235 HG3 LYS 34 HG3 LYS 34 -5.751 14.377 13.878 236 HD2 LYS 34 HD2 LYS 34 -7.439 13.289 12.676 237 HD3 LYS 34 HD3 LYS 34 -5.942 12.718 11.935 238 HE2 LYS 34 HE2 LYS 34 -7.113 10.750 12.189 239 HE3 LYS 34 HE3 LYS 34 -6.151 10.782 13.666 240 HZ1 LYS 34 HZ1 LYS 34 -9.008 10.957 13.330 241 HZ2 LYS 34 HZ2 LYS 34 -8.378 12.110 14.394 242 HZ3 LYS 34 HZ3 LYS 34 -8.104 10.464 14.673 243 H TYR 35 H TYR 35 -4.628 15.784 12.934 244 HA TYR 35 HA TYR 35 -2.652 17.629 13.486 245 HB2 TYR 35 HB2 TYR 35 -5.622 17.634 13.877 246 HB3 TYR 35 HB3 TYR 35 -4.666 18.986 14.476 247 HD1 TYR 35 HD1 TYR 35 -6.103 17.399 11.566 248 HD2 TYR 35 HD2 TYR 35 -3.318 20.343 12.864 249 HE1 TYR 35 HE1 TYR 35 -6.119 18.397 9.318 250 HE2 TYR 35 HE2 TYR 35 -3.328 21.350 10.620 251 HH TYR 35 HH TYR 35 -3.928 20.253 8.113 252 H LYS 36 H LYS 36 -2.106 18.819 15.381 253 HA LYS 36 HA LYS 36 -1.454 17.307 17.601 254 HB2 LYS 36 HB2 LYS 36 -1.688 20.246 17.102 255 HB3 LYS 36 HB3 LYS 36 -1.414 19.681 18.746 256 HG2 LYS 36 HG2 LYS 36 0.662 18.746 18.198 257 HG3 LYS 36 HG3 LYS 36 0.331 18.814 16.466 258 HD2 LYS 36 HD2 LYS 36 1.717 20.624 16.685 259 HD3 LYS 36 HD3 LYS 36 0.153 21.400 16.946 260 HE2 LYS 36 HE2 LYS 36 0.504 21.057 19.406 261 HE3 LYS 36 HE3 LYS 36 2.142 20.523 19.034 262 HZ1 LYS 36 HZ1 LYS 36 2.012 22.854 17.717 263 HZ2 LYS 36 HZ2 LYS 36 2.630 22.679 19.281 264 HZ3 LYS 36 HZ3 LYS 36 1.034 23.191 19.055 265 HA PRO 37 HA PRO 37 -5.011 16.970 20.149 266 HB2 PRO 37 HB2 PRO 37 -3.977 17.307 22.636 267 HB3 PRO 37 HB3 PRO 37 -3.698 15.854 21.669 268 HG2 PRO 37 HG2 PRO 37 -1.922 18.229 22.076 269 HG3 PRO 37 HG3 PRO 37 -1.502 16.507 22.064 270 HD2 PRO 37 HD2 PRO 37 -1.084 18.123 19.932 271 HD3 PRO 37 HD3 PRO 37 -1.476 16.400 19.762 272 H TYR 38 H TYR 38 -6.375 18.084 21.745 273 HA TYR 38 HA TYR 38 -6.891 20.719 21.108 274 HB2 TYR 38 HB2 TYR 38 -8.327 18.996 22.408 275 HB3 TYR 38 HB3 TYR 38 -7.526 19.635 23.839 276 HD1 TYR 38 HD1 TYR 38 -9.187 21.006 20.775 277 HD2 TYR 38 HD2 TYR 38 -8.703 21.236 24.996 278 HE1 TYR 38 HE1 TYR 38 -10.815 22.847 20.855 279 HE2 TYR 38 HE2 TYR 38 -10.330 23.078 25.088 280 HH TYR 38 HH TYR 38 -12.134 24.007 23.804 281 H VAL 39 H VAL 39 -6.447 22.703 22.042 282 HA VAL 39 HA VAL 39 -3.879 22.971 23.247 283 HB VAL 39 HB VAL 39 -6.045 25.052 22.911 284 HG11 VAL 39 HG11 VAL 39 -4.324 25.627 24.588 285 HG12 VAL 39 HG12 VAL 39 -3.082 25.410 23.353 286 HG13 VAL 39 HG13 VAL 39 -4.287 26.687 23.179 287 HG21 VAL 39 HG21 VAL 39 -3.663 24.485 21.151 288 HG22 VAL 39 HG22 VAL 39 -5.313 23.973 20.798 289 HG23 VAL 39 HG23 VAL 39 -4.922 25.691 20.880 290 HA PRO 40 HA PRO 40 -5.071 22.537 27.485 291 HB2 PRO 40 HB2 PRO 40 -2.795 23.524 28.589 292 HB3 PRO 40 HB3 PRO 40 -2.891 21.915 27.863 293 HG2 PRO 40 HG2 PRO 40 -1.826 24.458 26.698 294 HG3 PRO 40 HG3 PRO 40 -1.152 22.820 26.614 295 HD2 PRO 40 HD2 PRO 40 -2.544 23.929 24.573 296 HD3 PRO 40 HD3 PRO 40 -2.573 22.186 24.914 297 H VAL 41 H VAL 41 -5.434 23.849 29.387 298 HA VAL 41 HA VAL 41 -6.671 26.283 28.892 299 HB VAL 41 HB VAL 41 -5.482 25.429 31.533 300 HG11 VAL 41 HG11 VAL 41 -7.153 27.655 30.679 301 HG12 VAL 41 HG12 VAL 41 -7.860 26.730 32.005 302 HG13 VAL 41 HG13 VAL 41 -6.248 27.427 32.175 303 HG21 VAL 41 HG21 VAL 41 -8.006 24.627 30.128 304 HG22 VAL 41 HG22 VAL 41 -6.803 23.608 30.920 305 HG23 VAL 41 HG23 VAL 41 -7.894 24.599 31.888 306 H THR 42 H THR 42 -6.061 28.389 28.950 307 HA THR 42 HA THR 42 -3.205 28.941 29.433 308 HB THR 42 HB THR 42 -3.622 30.914 27.813 309 HG1 THR 42 HG1 THR 42 -5.677 29.153 26.922 310 HG21 THR 42 HG21 THR 42 -3.756 28.485 26.180 311 HG22 THR 42 HG22 THR 42 -2.562 28.414 27.476 312 HG23 THR 42 HG23 THR 42 -2.494 29.712 26.284 313 H THR 43 H THR 43 -2.737 31.197 30.064 314 HA THR 43 HA THR 43 -4.134 31.968 32.338 315 HB THR 43 HB THR 43 -2.973 34.254 31.917 316 HG1 THR 43 HG1 THR 43 -1.168 33.921 30.405 317 HG21 THR 43 HG21 THR 43 -0.763 32.411 32.012 318 HG22 THR 43 HG22 THR 43 -2.109 31.807 32.978 319 HG23 THR 43 HG23 THR 43 -1.442 33.407 33.298 320 H SER 44 H SER 44 -5.076 34.245 32.631 321 HA SER 44 HA SER 44 -7.421 34.422 31.024 322 HB2 SER 44 HB2 SER 44 -8.163 36.039 32.536 323 HB3 SER 44 HB3 SER 44 -7.069 35.072 33.525 324 HG SER 44 HG SER 44 -6.584 37.592 32.330 325 H PHE 45 H PHE 45 -8.068 36.057 29.612 326 HA PHE 45 HA PHE 45 -5.845 37.467 28.325 327 HB2 PHE 45 HB2 PHE 45 -8.654 36.993 27.306 328 HB3 PHE 45 HB3 PHE 45 -7.316 37.680 26.390 329 HD1 PHE 45 HD1 PHE 45 -8.800 34.635 27.722 330 HD2 PHE 45 HD2 PHE 45 -5.481 36.278 25.624 331 HE1 PHE 45 HE1 PHE 45 -8.150 32.378 26.989 332 HE2 PHE 45 HE2 PHE 45 -4.827 34.024 24.887 333 HZ PHE 45 HZ PHE 45 -6.161 32.070 25.570 334 H ASN 46 H ASN 46 -6.221 39.665 27.529 335 HA ASN 46 HA ASN 46 -8.329 41.203 28.778 336 HB2 ASN 46 HB2 ASN 46 -6.795 42.757 29.916 337 HB3 ASN 46 HB3 ASN 46 -6.660 41.127 30.569 338 HD21 ASN 46 HD21 ASN 46 -4.847 39.845 29.944 339 HD22 ASN 46 HD22 ASN 46 -3.370 40.604 29.467 340 H CYS 47 H CYS 47 -9.041 42.468 27.206 341 HA CYS 47 HA CYS 47 -7.653 42.982 24.820 342 HB2 CYS 47 HB2 CYS 47 -9.457 44.666 24.403 343 HB3 CYS 47 HB3 CYS 47 -10.058 43.072 24.851 344 H ALA 48 H ALA 48 -7.033 45.106 23.965 345 HA ALA 48 HA ALA 48 -5.323 46.480 25.828 346 HB1 ALA 48 HB1 ALA 48 -5.845 46.889 22.889 347 HB2 ALA 48 HB2 ALA 48 -4.675 47.820 23.825 348 HB3 ALA 48 HB3 ALA 48 -4.465 46.080 23.633 349 H LYS 49 H LYS 49 -6.078 48.001 27.139 350 HA LYS 49 HA LYS 49 -8.515 49.418 26.604 351 HB2 LYS 49 HB2 LYS 49 -8.143 50.490 28.745 352 HB3 LYS 49 HB3 LYS 49 -7.828 48.766 28.890 353 HG2 LYS 49 HG2 LYS 49 -5.475 49.117 28.907 354 HG3 LYS 49 HG3 LYS 49 -5.668 50.818 28.480 355 HD2 LYS 49 HD2 LYS 49 -5.274 50.889 30.771 356 HD3 LYS 49 HD3 LYS 49 -7.034 50.978 30.665 357 HE2 LYS 49 HE2 LYS 49 -7.172 48.568 31.090 358 HE3 LYS 49 HE3 LYS 49 -5.415 48.489 31.204 359 HZ1 LYS 49 HZ1 LYS 49 -6.910 50.328 32.947 360 HZ2 LYS 49 HZ2 LYS 49 -5.406 49.598 33.203 361 HZ3 LYS 49 HZ3 LYS 49 -6.824 48.686 33.343 362 H GLU 50 H GLU 50 -8.561 51.858 26.875 363 HA GLU 50 HA GLU 50 -7.297 53.101 24.762 364 HB2 GLU 50 HB2 GLU 50 -9.274 53.974 26.020 365 HB3 GLU 50 HB3 GLU 50 -8.183 54.466 27.308 366 HG2 GLU 50 HG2 GLU 50 -7.123 56.065 25.925 367 HG3 GLU 50 HG3 GLU 50 -7.905 55.431 24.478 368 H GLY 51 H GLY 51 -5.311 53.850 24.392 369 HA2 GLY 51 HA2 GLY 51 -3.368 55.093 25.059 370 HA3 GLY 51 HA3 GLY 51 -3.588 54.485 26.693 371 H GLU 52 H GLU 52 -4.079 51.737 25.730 372 HA GLU 52 HA GLU 52 -1.433 50.783 25.865 373 HB2 GLU 52 HB2 GLU 52 -3.902 49.325 24.906 374 HB3 GLU 52 HB3 GLU 52 -2.396 48.578 25.421 375 HG2 GLU 52 HG2 GLU 52 -4.162 50.258 27.185 376 HG3 GLU 52 HG3 GLU 52 -4.178 48.496 27.126 377 H VAL 53 H VAL 53 -0.234 49.586 24.282 378 HA VAL 53 HA VAL 53 -0.460 50.767 21.631 379 HB VAL 53 HB VAL 53 1.678 48.894 22.647 380 HG11 VAL 53 HG11 VAL 53 1.717 48.990 20.279 381 HG12 VAL 53 HG12 VAL 53 1.488 50.740 20.278 382 HG13 VAL 53 HG13 VAL 53 3.008 50.049 20.845 383 HG21 VAL 53 HG21 VAL 53 1.494 51.896 22.777 384 HG22 VAL 53 HG22 VAL 53 1.705 50.764 24.114 385 HG23 VAL 53 HG23 VAL 53 3.009 51.009 22.951 386 H CYS 54 H CYS 54 -0.532 49.555 19.707 387 HA CYS 54 HA CYS 54 -1.559 46.813 20.042 388 HB2 CYS 54 HB2 CYS 54 -2.225 48.702 17.781 389 HB3 CYS 54 HB3 CYS 54 -2.979 47.150 18.133 390 H GLY 55 H GLY 55 -1.040 45.277 18.395 391 HA2 GLY 55 HA2 GLY 55 0.209 45.084 16.185 392 HA3 GLY 55 HA3 GLY 55 1.499 45.919 17.037 393 H TRP 56 H TRP 56 1.045 44.524 19.549 394 HA TRP 56 HA TRP 56 2.381 42.020 18.835 395 HB2 TRP 56 HB2 TRP 56 2.294 43.714 21.308 396 HB3 TRP 56 HB3 TRP 56 2.746 42.015 21.427 397 HD1 TRP 56 HD1 TRP 56 3.823 44.913 19.056 398 HE1 TRP 56 HE1 TRP 56 6.390 44.860 18.874 399 HE3 TRP 56 HE3 TRP 56 4.772 40.936 22.125 400 HZ2 TRP 56 HZ2 TRP 56 8.533 43.335 19.897 401 HZ3 TRP 56 HZ3 TRP 56 7.108 40.244 22.470 402 HH2 TRP 56 HH2 TRP 56 8.948 41.419 21.378 403 H GLY 57 H GLY 57 -0.123 41.668 18.182 404 HA2 GLY 57 HA2 GLY 57 -1.927 40.286 18.509 405 HA3 GLY 57 HA3 GLY 57 -1.015 39.556 19.822 406 H SER 58 H SER 58 -1.893 42.950 19.702 407 HA SER 58 HA SER 58 -3.720 42.481 21.967 408 HB2 SER 58 HB2 SER 58 -3.024 45.099 22.243 409 HB3 SER 58 HB3 SER 58 -2.204 43.769 23.060 410 HG SER 58 HG SER 58 -1.433 44.722 20.507 411 H LYS 59 H LYS 59 -5.769 42.815 21.455 412 HA LYS 59 HA LYS 59 -6.407 44.754 19.336 413 HB2 LYS 59 HB2 LYS 59 -7.897 42.336 20.354 414 HB3 LYS 59 HB3 LYS 59 -8.629 43.525 19.285 415 HG2 LYS 59 HG2 LYS 59 -7.933 41.961 17.774 416 HG3 LYS 59 HG3 LYS 59 -6.531 43.033 17.799 417 HD2 LYS 59 HD2 LYS 59 -5.791 40.736 17.920 418 HD3 LYS 59 HD3 LYS 59 -5.465 41.540 19.458 419 HE2 LYS 59 HE2 LYS 59 -7.260 40.451 20.523 420 HE3 LYS 59 HE3 LYS 59 -7.964 39.938 18.991 421 HZ1 LYS 59 HZ1 LYS 59 -5.624 38.847 20.407 422 HZ2 LYS 59 HZ2 LYS 59 -5.767 38.650 18.734 423 HZ3 LYS 59 HZ3 LYS 59 -6.957 38.029 19.763 424 H CYS 60 H CYS 60 -7.604 46.507 19.776 425 HA CYS 60 HA CYS 60 -8.013 47.384 22.394 426 HB2 CYS 60 HB2 CYS 60 -9.348 48.283 19.833 427 HB3 CYS 60 HB3 CYS 60 -9.439 49.150 21.363 428 H CYS 61 H CYS 61 -9.916 47.688 23.622 429 HA CYS 61 HA CYS 61 -11.692 45.467 23.582 430 HB2 CYS 61 HB2 CYS 61 -12.074 48.031 25.130 431 HB3 CYS 61 HB3 CYS 61 -12.691 46.431 25.528 432 H HIS 62 H HIS 62 -14.134 45.863 23.770 433 HA HIS 62 HA HIS 62 -15.123 46.703 21.310 434 HB2 HIS 62 HB2 HIS 62 -16.348 46.048 23.949 435 HB3 HIS 62 HB3 HIS 62 -17.357 46.849 22.747 436 HD1 HIS 62 HD1 HIS 62 -17.491 43.789 23.845 437 HD2 HIS 62 HD2 HIS 62 -16.157 45.116 20.140 438 HE1 HIS 62 HE1 HIS 62 -17.732 41.821 22.299 439 H GLY 63 H GLY 63 -15.521 48.639 20.464 440 HA2 GLY 63 HA2 GLY 63 -16.502 50.816 20.548 441 HA3 GLY 63 HA3 GLY 63 -16.134 50.879 22.266 442 H LEU 64 H LEU 64 -13.383 49.782 21.629 443 HA LEU 64 HA LEU 64 -12.207 52.375 20.921 444 HB2 LEU 64 HB2 LEU 64 -11.037 49.982 22.331 445 HB3 LEU 64 HB3 LEU 64 -10.141 51.448 21.938 446 HG LEU 64 HG LEU 64 -12.606 51.645 23.612 447 HD11 LEU 64 HD11 LEU 64 -11.552 49.956 24.825 448 HD12 LEU 64 HD12 LEU 64 -10.994 51.441 25.595 449 HD13 LEU 64 HD13 LEU 64 -9.939 50.580 24.474 450 HD21 LEU 64 HD21 LEU 64 -11.881 53.762 23.332 451 HD22 LEU 64 HD22 LEU 64 -10.229 53.264 22.964 452 HD23 LEU 64 HD23 LEU 64 -10.778 53.334 24.640 453 H ASP 65 H ASP 65 -10.228 52.377 19.624 454 HA ASP 65 HA ASP 65 -9.765 50.065 17.929 455 HB2 ASP 65 HB2 ASP 65 -11.640 51.565 16.938 456 HB3 ASP 65 HB3 ASP 65 -10.329 52.681 16.561 457 H CYS 66 H CYS 66 -7.870 50.351 16.524 458 HA CYS 66 HA CYS 66 -5.982 52.311 17.657 459 HB2 CYS 66 HB2 CYS 66 -5.804 49.474 17.500 460 HB3 CYS 66 HB3 CYS 66 -4.592 50.149 16.416 461 HA PRO 67 HA PRO 67 -5.739 53.941 13.551 462 HB2 PRO 67 HB2 PRO 67 -3.569 55.525 13.940 463 HB3 PRO 67 HB3 PRO 67 -5.177 55.932 14.551 464 HG2 PRO 67 HG2 PRO 67 -2.858 54.704 15.993 465 HG3 PRO 67 HG3 PRO 67 -3.966 55.978 16.536 466 HD2 PRO 67 HD2 PRO 67 -4.217 53.397 17.318 467 HD3 PRO 67 HD3 PRO 67 -5.615 54.473 17.111 468 H LEU 68 H LEU 68 -4.151 54.115 11.777 469 HA LEU 68 HA LEU 68 -2.364 51.798 11.794 470 HB2 LEU 68 HB2 LEU 68 -3.757 53.367 9.681 471 HB3 LEU 68 HB3 LEU 68 -2.278 52.506 9.259 472 HG LEU 68 HG LEU 68 -3.281 50.395 9.838 473 HD11 LEU 68 HD11 LEU 68 -5.565 50.205 10.616 474 HD12 LEU 68 HD12 LEU 68 -5.740 51.959 10.611 475 HD13 LEU 68 HD13 LEU 68 -4.624 51.188 11.738 476 HD21 LEU 68 HD21 LEU 68 -5.438 51.747 8.280 477 HD22 LEU 68 HD22 LEU 68 -4.666 50.184 8.012 478 HD23 LEU 68 HD23 LEU 68 -3.803 51.673 7.622 479 H ALA 69 H ALA 69 -0.516 52.513 12.784 480 HA ALA 69 HA ALA 69 1.219 54.171 11.194 481 HB1 ALA 69 HB1 ALA 69 0.369 55.115 13.930 482 HB2 ALA 69 HB2 ALA 69 1.704 55.791 12.995 483 HB3 ALA 69 HB3 ALA 69 0.052 55.914 12.390 484 H PHE 70 H PHE 70 3.282 54.643 12.795 485 HA PHE 70 HA PHE 70 4.582 52.219 13.063 486 HB2 PHE 70 HB2 PHE 70 5.125 54.798 14.547 487 HB3 PHE 70 HB3 PHE 70 6.245 53.445 14.434 488 HD1 PHE 70 HD1 PHE 70 5.765 56.571 13.258 489 HD2 PHE 70 HD2 PHE 70 6.353 52.628 11.767 490 HE1 PHE 70 HE1 PHE 70 6.666 57.500 11.166 491 HE2 PHE 70 HE2 PHE 70 7.256 53.551 9.673 492 HZ PHE 70 HZ PHE 70 7.414 55.990 9.370 493 H ILE 71 H ILE 71 3.496 54.238 15.798 494 HA ILE 71 HA ILE 71 2.929 51.761 17.284 495 HB ILE 71 HB ILE 71 4.126 54.248 18.505 496 HG12 ILE 71 HG12 ILE 71 6.006 52.323 18.844 497 HG13 ILE 71 HG13 ILE 71 5.354 51.853 17.278 498 HG21 ILE 71 HG21 ILE 71 4.350 52.938 20.505 499 HG22 ILE 71 HG22 ILE 71 2.674 52.857 19.963 500 HG23 ILE 71 HG23 ILE 71 3.759 51.496 19.678 501 HD11 ILE 71 HD11 ILE 71 6.892 54.262 18.051 502 HD12 ILE 71 HD12 ILE 71 6.999 53.260 16.604 503 HD13 ILE 71 HD13 ILE 71 5.685 54.423 16.776 504 HA PRO 72 HA PRO 72 -0.848 54.395 17.250 505 HB2 PRO 72 HB2 PRO 72 -2.563 52.299 17.060 506 HB3 PRO 72 HB3 PRO 72 -1.792 53.041 15.652 507 HG2 PRO 72 HG2 PRO 72 -1.038 50.549 17.131 508 HG3 PRO 72 HG3 PRO 72 -1.095 50.839 15.383 509 HD2 PRO 72 HD2 PRO 72 1.216 50.884 16.792 510 HD3 PRO 72 HD3 PRO 72 0.947 51.906 15.366 511 H TYR 73 H TYR 73 -2.769 54.269 18.708 512 HA TYR 73 HA TYR 73 -2.354 52.692 21.132 513 HB2 TYR 73 HB2 TYR 73 -2.795 55.678 21.257 514 HB3 TYR 73 HB3 TYR 73 -2.492 54.587 22.604 515 HD1 TYR 73 HD1 TYR 73 -0.211 53.314 22.539 516 HD2 TYR 73 HD2 TYR 73 -1.027 56.853 20.322 517 HE1 TYR 73 HE1 TYR 73 2.203 53.744 22.348 518 HE2 TYR 73 HE2 TYR 73 1.385 57.292 20.124 519 HH TYR 73 HH TYR 73 3.457 56.323 20.336 520 H CYS 74 H CYS 74 -4.208 51.957 21.971 521 HA CYS 74 HA CYS 74 -6.617 52.072 20.634 522 HB2 CYS 74 HB2 CYS 74 -5.957 51.465 23.509 523 HB3 CYS 74 HB3 CYS 74 -7.610 51.383 22.909 524 H GLU 75 H GLU 75 -8.373 53.374 20.637 525 HA GLU 75 HA GLU 75 -8.746 55.400 22.659 526 HB2 GLU 75 HB2 GLU 75 -8.580 57.313 21.252 527 HB3 GLU 75 HB3 GLU 75 -7.100 56.391 21.032 528 HG2 GLU 75 HG2 GLU 75 -7.567 56.848 18.865 529 HG3 GLU 75 HG3 GLU 75 -8.471 55.344 19.033 530 H LYS 76 H LYS 76 -10.831 56.226 22.706 531 HA LYS 76 HA LYS 76 -12.904 54.626 21.848 532 HB2 LYS 76 HB2 LYS 76 -12.847 57.555 22.561 533 HB3 LYS 76 HB3 LYS 76 -14.344 56.706 22.197 534 HG2 LYS 76 HG2 LYS 76 -12.430 55.851 24.354 535 HG3 LYS 76 HG3 LYS 76 -13.806 56.922 24.627 536 HD2 LYS 76 HD2 LYS 76 -15.128 54.986 23.430 537 HD3 LYS 76 HD3 LYS 76 -13.756 54.014 23.968 538 HE2 LYS 76 HE2 LYS 76 -15.333 53.835 25.694 539 HE3 LYS 76 HE3 LYS 76 -14.165 55.021 26.275 540 HZ1 LYS 76 HZ1 LYS 76 -16.542 55.627 26.620 541 HZ2 LYS 76 HZ2 LYS 76 -16.709 55.757 24.942 542 HZ3 LYS 76 HZ3 LYS 76 -15.646 56.781 25.768 543 H TYR 77 H TYR 77 -13.647 54.170 19.893 544 HA TYR 77 HA TYR 77 -12.826 55.382 17.532 545 HB2 TYR 77 HB2 TYR 77 -13.875 53.118 17.739 546 HB3 TYR 77 HB3 TYR 77 -15.434 53.909 17.946 547 HD1 TYR 77 HD1 TYR 77 -16.762 53.917 16.071 548 HD2 TYR 77 HD2 TYR 77 -12.544 54.166 15.578 549 HE1 TYR 77 HE1 TYR 77 -17.057 53.981 13.630 550 HE2 TYR 77 HE2 TYR 77 -12.827 54.232 13.136 551 HH TYR 77 HH TYR 77 -16.001 54.470 11.660 552 H ARG 78 H ARG 78 -13.484 57.093 16.371 553 HA ARG 78 HA ARG 78 -15.275 58.978 17.570 554 HB2 ARG 78 HB2 ARG 78 -13.281 59.696 16.324 555 HB3 ARG 78 HB3 ARG 78 -13.952 59.006 14.852 556 HG2 ARG 78 HG2 ARG 78 -15.871 60.585 15.076 557 HG3 ARG 78 HG3 ARG 78 -15.011 61.346 16.416 558 HD2 ARG 78 HD2 ARG 78 -13.210 61.989 14.991 559 HD3 ARG 78 HD3 ARG 78 -13.841 61.019 13.661 560 HE ARG 78 HE ARG 78 -14.670 63.660 14.424 561 HH11 ARG 78 HH11 ARG 78 -15.631 60.712 12.842 562 HH12 ARG 78 HH12 ARG 78 -16.836 61.478 11.861 563 HH21 ARG 78 HH21 ARG 78 -16.254 64.680 13.138 564 HH22 ARG 78 HH22 ARG 78 -17.189 63.735 12.030 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -6.555 -1.259 -1.769 2 HA2 GLY 1 HA2 GLY 1 -4.169 -1.052 -3.407 3 HA3 GLY 1 HA3 GLY 1 -5.015 0.272 -2.621 4 H ASP 2 H ASP 2 -2.204 -0.050 -2.664 5 HA ASP 2 HA ASP 2 -1.325 -1.153 -0.168 6 HB2 ASP 2 HB2 ASP 2 0.023 0.555 -2.259 7 HB3 ASP 2 HB3 ASP 2 0.835 0.053 -0.779 8 H CYS 3 H CYS 3 0.295 0.519 1.055 9 HA CYS 3 HA CYS 3 -0.624 3.171 1.394 10 HB2 CYS 3 HB2 CYS 3 -1.634 2.945 3.636 11 HB3 CYS 3 HB3 CYS 3 -2.572 2.109 2.403 12 H ALA 4 H ALA 4 0.704 4.361 2.751 13 HA ALA 4 HA ALA 4 3.252 3.189 3.324 14 HB1 ALA 4 HB1 ALA 4 2.236 5.925 4.079 15 HB2 ALA 4 HB2 ALA 4 3.918 5.399 4.015 16 HB3 ALA 4 HB3 ALA 4 2.975 5.516 2.530 17 H LYS 5 H LYS 5 4.092 2.537 5.228 18 HA LYS 5 HA LYS 5 2.432 1.781 7.341 19 HB2 LYS 5 HB2 LYS 5 5.412 2.105 7.097 20 HB3 LYS 5 HB3 LYS 5 4.675 1.616 8.617 21 HG2 LYS 5 HG2 LYS 5 3.504 -0.172 7.066 22 HG3 LYS 5 HG3 LYS 5 4.924 0.131 6.061 23 HD2 LYS 5 HD2 LYS 5 5.063 -0.562 8.992 24 HD3 LYS 5 HD3 LYS 5 5.165 -1.757 7.697 25 HE2 LYS 5 HE2 LYS 5 6.974 0.601 7.585 26 HE3 LYS 5 HE3 LYS 5 7.327 -0.662 8.763 27 HZ1 LYS 5 HZ1 LYS 5 7.111 -0.969 5.820 28 HZ2 LYS 5 HZ2 LYS 5 7.230 -2.272 6.892 29 HZ3 LYS 5 HZ3 LYS 5 8.498 -1.159 6.771 30 H GLU 6 H GLU 6 2.906 2.472 9.689 31 HA GLU 6 HA GLU 6 2.065 5.145 9.996 32 HB2 GLU 6 HB2 GLU 6 1.456 3.547 11.667 33 HB3 GLU 6 HB3 GLU 6 3.137 3.130 11.969 34 HG2 GLU 6 HG2 GLU 6 3.535 5.340 12.903 35 HG3 GLU 6 HG3 GLU 6 1.862 5.789 12.573 36 H GLY 7 H GLY 7 3.199 6.963 9.928 37 HA2 GLY 7 HA2 GLY 7 4.949 8.401 10.592 38 HA3 GLY 7 HA3 GLY 7 5.942 6.994 10.943 39 H GLU 8 H GLU 8 5.275 5.769 8.325 40 HA GLU 8 HA GLU 8 7.470 6.735 6.859 41 HB2 GLU 8 HB2 GLU 8 5.218 4.854 6.283 42 HB3 GLU 8 HB3 GLU 8 6.236 5.393 4.955 43 HG2 GLU 8 HG2 GLU 8 7.350 4.168 7.459 44 HG3 GLU 8 HG3 GLU 8 6.873 3.215 6.055 45 H VAL 9 H VAL 9 7.536 7.814 4.831 46 HA VAL 9 HA VAL 9 5.867 10.091 4.678 47 HB VAL 9 HB VAL 9 7.718 8.978 2.565 48 HG11 VAL 9 HG11 VAL 9 6.084 10.602 1.702 49 HG12 VAL 9 HG12 VAL 9 6.625 11.768 2.911 50 HG13 VAL 9 HG13 VAL 9 7.733 11.225 1.651 51 HG21 VAL 9 HG21 VAL 9 8.889 11.196 3.758 52 HG22 VAL 9 HG22 VAL 9 8.218 10.274 5.103 53 HG23 VAL 9 HG23 VAL 9 9.349 9.509 3.987 54 H CYS 10 H CYS 10 4.207 10.622 3.306 55 HA CYS 10 HA CYS 10 3.108 8.423 1.679 56 HB2 CYS 10 HB2 CYS 10 0.855 9.453 2.161 57 HB3 CYS 10 HB3 CYS 10 1.649 8.711 3.547 58 H SER 11 H SER 11 2.491 8.869 -0.374 59 HA SER 11 HA SER 11 2.916 11.631 -1.305 60 HB2 SER 11 HB2 SER 11 3.504 10.699 -3.477 61 HB3 SER 11 HB3 SER 11 4.494 9.946 -2.227 62 HG SER 11 HG SER 11 3.576 8.451 -3.760 63 H TRP 12 H TRP 12 1.770 11.544 -3.760 64 HA TRP 12 HA TRP 12 -0.964 11.908 -3.186 65 HB2 TRP 12 HB2 TRP 12 0.517 12.896 -5.096 66 HB3 TRP 12 HB3 TRP 12 0.031 11.452 -5.980 67 HD1 TRP 12 HD1 TRP 12 -1.306 14.779 -4.714 68 HE1 TRP 12 HE1 TRP 12 -3.637 15.183 -5.727 69 HE3 TRP 12 HE3 TRP 12 -2.074 10.194 -6.841 70 HZ2 TRP 12 HZ2 TRP 12 -5.549 13.748 -7.228 71 HZ3 TRP 12 HZ3 TRP 12 -4.180 9.791 -8.046 72 HH2 TRP 12 HH2 TRP 12 -5.881 11.532 -8.234 73 H GLY 13 H GLY 13 0.828 9.234 -4.623 74 HA2 GLY 13 HA2 GLY 13 -1.638 7.745 -5.099 75 HA3 GLY 13 HA3 GLY 13 -0.017 7.249 -5.561 76 H LYS 14 H LYS 14 0.937 7.910 -2.783 77 HA LYS 14 HA LYS 14 0.046 5.396 -1.552 78 HB2 LYS 14 HB2 LYS 14 2.546 6.033 -2.097 79 HB3 LYS 14 HB3 LYS 14 2.428 6.923 -0.585 80 HG2 LYS 14 HG2 LYS 14 2.335 5.043 0.679 81 HG3 LYS 14 HG3 LYS 14 1.506 4.110 -0.570 82 HD2 LYS 14 HD2 LYS 14 3.430 3.298 -1.362 83 HD3 LYS 14 HD3 LYS 14 4.180 4.896 -1.384 84 HE2 LYS 14 HE2 LYS 14 4.647 4.699 1.014 85 HE3 LYS 14 HE3 LYS 14 3.906 3.100 1.025 86 HZ1 LYS 14 HZ1 LYS 14 6.222 3.783 -0.692 87 HZ2 LYS 14 HZ2 LYS 14 5.614 2.246 -0.334 88 HZ3 LYS 14 HZ3 LYS 14 6.393 3.147 0.867 89 H LYS 15 H LYS 15 -1.453 5.615 -0.036 90 HA LYS 15 HA LYS 15 -1.471 8.055 1.604 91 HB2 LYS 15 HB2 LYS 15 -3.818 7.460 2.122 92 HB3 LYS 15 HB3 LYS 15 -3.543 7.697 0.401 93 HG2 LYS 15 HG2 LYS 15 -3.305 4.936 1.441 94 HG3 LYS 15 HG3 LYS 15 -4.920 5.642 1.362 95 HD2 LYS 15 HD2 LYS 15 -3.124 5.872 -1.007 96 HD3 LYS 15 HD3 LYS 15 -3.917 4.329 -0.683 97 HE2 LYS 15 HE2 LYS 15 -6.086 5.611 -0.553 98 HE3 LYS 15 HE3 LYS 15 -5.206 7.006 -1.173 99 HZ1 LYS 15 HZ1 LYS 15 -6.272 4.811 -2.594 100 HZ2 LYS 15 HZ2 LYS 15 -4.601 4.882 -2.843 101 HZ3 LYS 15 HZ3 LYS 15 -5.567 6.225 -3.198 102 H CYS 16 H CYS 16 -2.194 7.759 3.885 103 HA CYS 16 HA CYS 16 -0.556 5.796 5.161 104 HB2 CYS 16 HB2 CYS 16 -2.619 7.639 6.385 105 HB3 CYS 16 HB3 CYS 16 -1.352 6.775 7.249 106 H CYS 17 H CYS 17 -1.085 3.866 5.995 107 HA CYS 17 HA CYS 17 -3.337 2.471 5.222 108 HB2 CYS 17 HB2 CYS 17 -1.650 2.000 7.689 109 HB3 CYS 17 HB3 CYS 17 -2.736 0.825 6.954 110 H ASP 18 H ASP 18 -2.823 4.432 8.092 111 HA ASP 18 HA ASP 18 -5.619 3.942 8.878 112 HB2 ASP 18 HB2 ASP 18 -3.331 4.925 10.596 113 HB3 ASP 18 HB3 ASP 18 -4.975 4.609 11.144 114 H LEU 19 H LEU 19 -6.683 5.505 7.744 115 HA LEU 19 HA LEU 19 -5.707 8.208 7.605 116 HB2 LEU 19 HB2 LEU 19 -8.348 7.004 6.792 117 HB3 LEU 19 HB3 LEU 19 -7.845 8.659 6.451 118 HG LEU 19 HG LEU 19 -6.630 6.130 5.346 119 HD11 LEU 19 HD11 LEU 19 -7.633 6.634 3.346 120 HD12 LEU 19 HD12 LEU 19 -7.776 8.350 3.723 121 HD13 LEU 19 HD13 LEU 19 -8.864 7.188 4.482 122 HD21 LEU 19 HD21 LEU 19 -4.869 7.732 5.767 123 HD22 LEU 19 HD22 LEU 19 -5.800 9.007 4.980 124 HD23 LEU 19 HD23 LEU 19 -5.192 7.647 4.035 125 H ASP 20 H ASP 20 -8.123 6.442 9.444 126 HA ASP 20 HA ASP 20 -9.489 8.601 10.580 127 HB2 ASP 20 HB2 ASP 20 -8.930 5.873 11.763 128 HB3 ASP 20 HB3 ASP 20 -10.129 7.012 12.367 129 H ASN 21 H ASN 21 -6.467 7.046 11.477 130 HA ASN 21 HA ASN 21 -6.201 8.825 13.789 131 HB2 ASN 21 HB2 ASN 21 -4.627 6.398 12.912 132 HB3 ASN 21 HB3 ASN 21 -4.175 7.404 14.285 133 HD21 ASN 21 HD21 ASN 21 -6.322 5.000 13.085 134 HD22 ASN 21 HD22 ASN 21 -7.142 4.680 14.572 135 H PHE 22 H PHE 22 -4.122 7.674 11.125 136 HA PHE 22 HA PHE 22 -2.569 10.139 11.311 137 HB2 PHE 22 HB2 PHE 22 -2.019 7.820 9.466 138 HB3 PHE 22 HB3 PHE 22 -0.893 9.046 10.040 139 HD1 PHE 22 HD1 PHE 22 -1.175 5.797 10.195 140 HD2 PHE 22 HD2 PHE 22 -1.397 9.064 12.915 141 HE1 PHE 22 HE1 PHE 22 -0.499 4.308 12.033 142 HE2 PHE 22 HE2 PHE 22 -0.721 7.580 14.757 143 HZ PHE 22 HZ PHE 22 -0.273 5.198 14.318 144 H TYR 23 H TYR 23 -1.809 11.029 9.121 145 HA TYR 23 HA TYR 23 -3.617 10.780 6.911 146 HB2 TYR 23 HB2 TYR 23 -4.485 13.055 6.942 147 HB3 TYR 23 HB3 TYR 23 -4.944 12.218 8.421 148 HD1 TYR 23 HD1 TYR 23 -3.668 15.205 7.128 149 HD2 TYR 23 HD2 TYR 23 -3.222 12.552 10.425 150 HE1 TYR 23 HE1 TYR 23 -2.691 17.030 8.456 151 HE2 TYR 23 HE2 TYR 23 -2.245 14.370 11.763 152 HH TYR 23 HH TYR 23 -1.676 17.578 10.366 153 H CYS 24 H CYS 24 -3.099 12.560 5.232 154 HA CYS 24 HA CYS 24 -0.178 12.921 5.212 155 HB2 CYS 24 HB2 CYS 24 -1.618 11.568 3.398 156 HB3 CYS 24 HB3 CYS 24 -1.744 13.179 2.700 157 HA PRO 25 HA PRO 25 -1.713 17.212 5.645 158 HB2 PRO 25 HB2 PRO 25 0.502 18.088 6.947 159 HB3 PRO 25 HB3 PRO 25 -0.839 17.281 7.769 160 HG2 PRO 25 HG2 PRO 25 1.784 16.154 6.867 161 HG3 PRO 25 HG3 PRO 25 0.915 15.886 8.390 162 HD2 PRO 25 HD2 PRO 25 0.865 14.105 6.351 163 HD3 PRO 25 HD3 PRO 25 -0.509 14.337 7.450 164 H MET 26 H MET 26 -0.909 19.201 4.760 165 HA MET 26 HA MET 26 0.828 18.760 2.464 166 HB2 MET 26 HB2 MET 26 -1.265 19.904 2.043 167 HB3 MET 26 HB3 MET 26 -0.891 21.112 3.265 168 HG2 MET 26 HG2 MET 26 -0.544 21.977 1.020 169 HG3 MET 26 HG3 MET 26 0.964 21.922 1.929 170 HE1 MET 26 HE1 MET 26 -1.375 19.932 -0.118 171 HE2 MET 26 HE2 MET 26 -0.469 19.507 -1.571 172 HE3 MET 26 HE3 MET 26 -0.433 18.441 -0.165 173 H GLU 27 H GLU 27 2.939 18.891 2.934 174 HA GLU 27 HA GLU 27 4.037 21.394 3.781 175 HB2 GLU 27 HB2 GLU 27 5.195 20.580 5.775 176 HB3 GLU 27 HB3 GLU 27 3.451 20.469 5.971 177 HG2 GLU 27 HG2 GLU 27 3.665 18.047 5.271 178 HG3 GLU 27 HG3 GLU 27 5.405 18.249 5.467 179 H PHE 28 H PHE 28 6.555 20.934 4.270 180 HA PHE 28 HA PHE 28 7.721 20.241 1.871 181 HB2 PHE 28 HB2 PHE 28 8.889 20.195 4.657 182 HB3 PHE 28 HB3 PHE 28 9.853 20.005 3.196 183 HD1 PHE 28 HD1 PHE 28 8.687 22.292 5.560 184 HD2 PHE 28 HD2 PHE 28 9.475 21.905 1.395 185 HE1 PHE 28 HE1 PHE 28 8.872 24.738 5.371 186 HE2 PHE 28 HE2 PHE 28 9.662 24.351 1.199 187 HZ PHE 28 HZ PHE 28 9.361 25.771 3.189 188 H ILE 29 H ILE 29 7.562 18.231 4.810 189 HA ILE 29 HA ILE 29 7.870 15.862 3.083 190 HB ILE 29 HB ILE 29 8.853 16.042 5.928 191 HG12 ILE 29 HG12 ILE 29 11.120 15.882 4.473 192 HG13 ILE 29 HG13 ILE 29 10.129 16.829 3.369 193 HG21 ILE 29 HG21 ILE 29 9.965 13.975 5.470 194 HG22 ILE 29 HG22 ILE 29 8.276 13.802 4.996 195 HG23 ILE 29 HG23 ILE 29 9.515 14.051 3.767 196 HD11 ILE 29 HD11 ILE 29 10.976 18.549 4.534 197 HD12 ILE 29 HD12 ILE 29 9.681 18.154 5.665 198 HD13 ILE 29 HD13 ILE 29 11.317 17.560 5.954 199 HA PRO 30 HA PRO 30 3.821 15.224 4.998 200 HB2 PRO 30 HB2 PRO 30 3.030 13.355 3.194 201 HB3 PRO 30 HB3 PRO 30 2.947 15.092 2.877 202 HG2 PRO 30 HG2 PRO 30 5.010 13.105 2.008 203 HG3 PRO 30 HG3 PRO 30 4.257 14.414 1.080 204 HD2 PRO 30 HD2 PRO 30 6.727 14.634 2.168 205 HD3 PRO 30 HD3 PRO 30 5.635 16.022 1.990 206 H HIS 31 H HIS 31 3.710 13.998 6.763 207 HA HIS 31 HA HIS 31 4.886 11.297 6.683 208 HB2 HIS 31 HB2 HIS 31 4.492 13.105 9.077 209 HB3 HIS 31 HB3 HIS 31 5.186 11.487 9.117 210 HD1 HIS 31 HD1 HIS 31 6.326 14.714 9.436 211 HD2 HIS 31 HD2 HIS 31 7.477 11.597 6.940 212 HE1 HIS 31 HE1 HIS 31 8.676 15.255 8.724 213 H CYS 32 H CYS 32 3.836 9.786 8.322 214 HA CYS 32 HA CYS 32 0.917 10.060 8.077 215 HB2 CYS 32 HB2 CYS 32 2.741 7.671 8.171 216 HB3 CYS 32 HB3 CYS 32 1.029 7.515 8.552 217 H LYS 33 H LYS 33 1.428 11.531 10.051 218 HA LYS 33 HA LYS 33 1.343 9.894 12.499 219 HB2 LYS 33 HB2 LYS 33 3.132 11.843 11.958 220 HB3 LYS 33 HB3 LYS 33 1.866 12.802 12.714 221 HG2 LYS 33 HG2 LYS 33 3.005 12.276 14.584 222 HG3 LYS 33 HG3 LYS 33 2.019 10.815 14.497 223 HD2 LYS 33 HD2 LYS 33 4.769 11.064 13.286 224 HD3 LYS 33 HD3 LYS 33 4.457 10.408 14.895 225 HE2 LYS 33 HE2 LYS 33 3.394 9.330 12.285 226 HE3 LYS 33 HE3 LYS 33 4.680 8.619 13.260 227 HZ1 LYS 33 HZ1 LYS 33 2.476 8.966 14.921 228 HZ2 LYS 33 HZ2 LYS 33 3.138 7.511 14.369 229 HZ3 LYS 33 HZ3 LYS 33 1.900 8.262 13.494 230 H LYS 34 H LYS 34 0.083 10.964 14.308 231 HA LYS 34 HA LYS 34 -2.583 11.436 13.393 232 HB2 LYS 34 HB2 LYS 34 -1.510 11.768 16.197 233 HB3 LYS 34 HB3 LYS 34 -3.185 11.517 15.726 234 HG2 LYS 34 HG2 LYS 34 -2.768 9.276 15.090 235 HG3 LYS 34 HG3 LYS 34 -1.020 9.502 15.194 236 HD2 LYS 34 HD2 LYS 34 -2.894 9.740 17.545 237 HD3 LYS 34 HD3 LYS 34 -2.026 8.263 17.121 238 HE2 LYS 34 HE2 LYS 34 0.088 9.707 17.217 239 HE3 LYS 34 HE3 LYS 34 -0.917 10.895 18.047 240 HZ1 LYS 34 HZ1 LYS 34 -1.332 8.392 19.235 241 HZ2 LYS 34 HZ2 LYS 34 -0.638 9.775 19.918 242 HZ3 LYS 34 HZ3 LYS 34 0.337 8.644 19.125 243 H TYR 35 H TYR 35 -3.895 13.296 13.994 244 HA TYR 35 HA TYR 35 -2.904 15.706 13.093 245 HB2 TYR 35 HB2 TYR 35 -5.267 14.982 14.789 246 HB3 TYR 35 HB3 TYR 35 -4.895 16.675 14.485 247 HD1 TYR 35 HD1 TYR 35 -6.818 14.019 13.391 248 HD2 TYR 35 HD2 TYR 35 -4.355 17.135 11.867 249 HE1 TYR 35 HE1 TYR 35 -7.989 13.881 11.233 250 HE2 TYR 35 HE2 TYR 35 -5.519 17.006 9.704 251 HH TYR 35 HH TYR 35 -7.617 16.246 8.786 252 H LYS 36 H LYS 36 -2.268 17.637 14.098 253 HA LYS 36 HA LYS 36 -1.239 17.299 16.839 254 HB2 LYS 36 HB2 LYS 36 -0.104 18.748 14.459 255 HB3 LYS 36 HB3 LYS 36 0.403 19.143 16.097 256 HG2 LYS 36 HG2 LYS 36 0.487 16.298 15.241 257 HG3 LYS 36 HG3 LYS 36 1.719 17.404 14.630 258 HD2 LYS 36 HD2 LYS 36 2.804 16.889 16.531 259 HD3 LYS 36 HD3 LYS 36 1.693 18.042 17.274 260 HE2 LYS 36 HE2 LYS 36 0.351 15.557 17.107 261 HE3 LYS 36 HE3 LYS 36 1.962 15.240 17.750 262 HZ1 LYS 36 HZ1 LYS 36 1.068 17.487 19.064 263 HZ2 LYS 36 HZ2 LYS 36 1.193 15.923 19.698 264 HZ3 LYS 36 HZ3 LYS 36 -0.268 16.449 19.025 265 HA PRO 37 HA PRO 37 -3.576 20.757 18.194 266 HB2 PRO 37 HB2 PRO 37 -1.879 21.918 19.966 267 HB3 PRO 37 HB3 PRO 37 -2.706 20.390 20.289 268 HG2 PRO 37 HG2 PRO 37 0.097 20.865 19.351 269 HG3 PRO 37 HG3 PRO 37 -0.497 19.722 20.570 270 HD2 PRO 37 HD2 PRO 37 0.109 18.971 18.040 271 HD3 PRO 37 HD3 PRO 37 -1.175 18.192 18.986 272 H TYR 38 H TYR 38 -4.034 22.567 17.126 273 HA TYR 38 HA TYR 38 -2.363 23.880 15.356 274 HB2 TYR 38 HB2 TYR 38 -4.699 25.073 16.865 275 HB3 TYR 38 HB3 TYR 38 -4.003 25.699 15.374 276 HD1 TYR 38 HD1 TYR 38 -6.562 23.714 16.723 277 HD2 TYR 38 HD2 TYR 38 -3.945 23.964 13.378 278 HE1 TYR 38 HE1 TYR 38 -8.100 22.304 15.422 279 HE2 TYR 38 HE2 TYR 38 -5.476 22.555 12.067 280 HH TYR 38 HH TYR 38 -8.307 22.114 12.397 281 H VAL 39 H VAL 39 -1.250 25.866 15.425 282 HA VAL 39 HA VAL 39 -0.531 26.797 18.127 283 HB VAL 39 HB VAL 39 1.342 26.548 15.769 284 HG11 VAL 39 HG11 VAL 39 3.079 27.279 17.280 285 HG12 VAL 39 HG12 VAL 39 1.792 28.486 17.237 286 HG13 VAL 39 HG13 VAL 39 1.923 27.384 18.608 287 HG21 VAL 39 HG21 VAL 39 0.779 24.818 18.113 288 HG22 VAL 39 HG22 VAL 39 1.257 24.382 16.472 289 HG23 VAL 39 HG23 VAL 39 2.460 24.993 17.608 290 HA PRO 40 HA PRO 40 -1.810 30.743 16.589 291 HB2 PRO 40 HB2 PRO 40 -0.799 32.248 18.610 292 HB3 PRO 40 HB3 PRO 40 -2.260 31.268 18.780 293 HG2 PRO 40 HG2 PRO 40 0.542 30.657 19.639 294 HG3 PRO 40 HG3 PRO 40 -0.978 30.391 20.512 295 HD2 PRO 40 HD2 PRO 40 0.316 28.406 19.201 296 HD3 PRO 40 HD3 PRO 40 -1.453 28.457 19.350 297 H VAL 41 H VAL 41 -0.887 31.915 15.039 298 HA VAL 41 HA VAL 41 2.031 32.170 14.985 299 HB VAL 41 HB VAL 41 0.063 32.856 12.800 300 HG11 VAL 41 HG11 VAL 41 2.126 34.006 12.476 301 HG12 VAL 41 HG12 VAL 41 3.060 32.556 12.850 302 HG13 VAL 41 HG13 VAL 41 2.107 32.635 11.367 303 HG21 VAL 41 HG21 VAL 41 1.448 30.594 12.026 304 HG22 VAL 41 HG22 VAL 41 1.068 30.290 13.721 305 HG23 VAL 41 HG23 VAL 41 -0.226 30.653 12.579 306 H THR 42 H THR 42 3.072 34.145 14.793 307 HA THR 42 HA THR 42 2.108 36.295 16.229 308 HB THR 42 HB THR 42 4.005 36.834 13.982 309 HG1 THR 42 HG1 THR 42 5.605 35.676 14.956 310 HG21 THR 42 HG21 THR 42 3.753 37.656 16.868 311 HG22 THR 42 HG22 THR 42 3.649 38.670 15.428 312 HG23 THR 42 HG23 THR 42 5.199 37.982 15.913 313 H THR 43 H THR 43 1.651 38.513 15.471 314 HA THR 43 HA THR 43 0.404 40.024 14.310 315 HB THR 43 HB THR 43 0.488 38.420 11.798 316 HG1 THR 43 HG1 THR 43 2.651 38.844 11.501 317 HG21 THR 43 HG21 THR 43 -0.369 40.471 11.298 318 HG22 THR 43 HG22 THR 43 1.343 40.869 11.149 319 HG23 THR 43 HG23 THR 43 0.471 41.266 12.629 320 H SER 44 H SER 44 -0.903 37.901 15.691 321 HA SER 44 HA SER 44 -3.125 37.087 14.001 322 HB2 SER 44 HB2 SER 44 -3.910 35.965 16.145 323 HB3 SER 44 HB3 SER 44 -2.373 35.391 15.498 324 HG SER 44 HG SER 44 -1.618 35.854 17.397 325 H PHE 45 H PHE 45 -5.370 37.359 14.867 326 HA PHE 45 HA PHE 45 -5.895 40.125 15.275 327 HB2 PHE 45 HB2 PHE 45 -7.770 37.758 15.461 328 HB3 PHE 45 HB3 PHE 45 -8.259 39.447 15.364 329 HD1 PHE 45 HD1 PHE 45 -7.857 36.540 13.528 330 HD2 PHE 45 HD2 PHE 45 -7.146 40.730 13.289 331 HE1 PHE 45 HE1 PHE 45 -7.850 36.395 11.072 332 HE2 PHE 45 HE2 PHE 45 -7.139 40.592 10.833 333 HZ PHE 45 HZ PHE 45 -7.490 38.422 9.721 334 H ASN 46 H ASN 46 -6.457 41.233 17.081 335 HA ASN 46 HA ASN 46 -7.346 40.086 19.493 336 HB2 ASN 46 HB2 ASN 46 -4.863 39.365 19.368 337 HB3 ASN 46 HB3 ASN 46 -4.506 41.051 19.730 338 HD21 ASN 46 HD21 ASN 46 -4.263 41.515 21.784 339 HD22 ASN 46 HD22 ASN 46 -4.940 40.645 23.114 340 H CYS 47 H CYS 47 -7.609 41.664 21.200 341 HA CYS 47 HA CYS 47 -8.388 44.190 20.249 342 HB2 CYS 47 HB2 CYS 47 -8.714 44.765 22.631 343 HB3 CYS 47 HB3 CYS 47 -9.408 43.199 22.225 344 H ALA 48 H ALA 48 -7.538 46.268 20.662 345 HA ALA 48 HA ALA 48 -4.690 46.419 20.449 346 HB1 ALA 48 HB1 ALA 48 -5.917 48.007 19.204 347 HB2 ALA 48 HB2 ALA 48 -6.845 48.510 20.617 348 HB3 ALA 48 HB3 ALA 48 -5.131 48.909 20.500 349 H LYS 49 H LYS 49 -3.418 46.126 22.157 350 HA LYS 49 HA LYS 49 -4.285 46.621 24.841 351 HB2 LYS 49 HB2 LYS 49 -2.055 45.897 25.490 352 HB3 LYS 49 HB3 LYS 49 -2.718 44.803 24.283 353 HG2 LYS 49 HG2 LYS 49 -1.339 45.714 22.578 354 HG3 LYS 49 HG3 LYS 49 -0.833 47.048 23.617 355 HD2 LYS 49 HD2 LYS 49 0.974 45.564 23.673 356 HD3 LYS 49 HD3 LYS 49 0.098 45.230 25.169 357 HE2 LYS 49 HE2 LYS 49 0.421 43.097 24.411 358 HE3 LYS 49 HE3 LYS 49 -1.131 43.459 23.657 359 HZ1 LYS 49 HZ1 LYS 49 0.722 42.442 22.231 360 HZ2 LYS 49 HZ2 LYS 49 1.393 43.994 22.228 361 HZ3 LYS 49 HZ3 LYS 49 -0.154 43.741 21.593 362 H GLU 50 H GLU 50 -2.834 47.922 26.347 363 HA GLU 50 HA GLU 50 -2.993 50.613 25.756 364 HB2 GLU 50 HB2 GLU 50 -2.717 49.720 28.031 365 HB3 GLU 50 HB3 GLU 50 -1.059 49.274 27.655 366 HG2 GLU 50 HG2 GLU 50 -0.417 51.561 27.438 367 HG3 GLU 50 HG3 GLU 50 -2.092 52.096 27.558 368 H GLY 51 H GLY 51 -1.848 51.982 24.550 369 HA2 GLY 51 HA2 GLY 51 0.249 52.906 23.827 370 HA3 GLY 51 HA3 GLY 51 0.935 51.289 23.883 371 H GLU 52 H GLU 52 -1.417 50.122 22.528 372 HA GLU 52 HA GLU 52 -0.478 50.277 19.880 373 HB2 GLU 52 HB2 GLU 52 -3.163 49.293 20.863 374 HB3 GLU 52 HB3 GLU 52 -2.448 48.944 19.295 375 HG2 GLU 52 HG2 GLU 52 -1.272 48.127 21.942 376 HG3 GLU 52 HG3 GLU 52 -2.239 47.087 20.897 377 H VAL 53 H VAL 53 -1.567 51.063 17.990 378 HA VAL 53 HA VAL 53 -2.882 53.620 18.480 379 HB VAL 53 HB VAL 53 -1.991 52.477 15.832 380 HG11 VAL 53 HG11 VAL 53 -2.775 55.237 16.744 381 HG12 VAL 53 HG12 VAL 53 -1.942 54.918 15.221 382 HG13 VAL 53 HG13 VAL 53 -3.547 54.243 15.509 383 HG21 VAL 53 HG21 VAL 53 -0.033 54.060 16.162 384 HG22 VAL 53 HG22 VAL 53 -0.492 54.111 17.864 385 HG23 VAL 53 HG23 VAL 53 -0.020 52.582 17.124 386 H CYS 54 H CYS 54 -4.850 54.218 17.524 387 HA CYS 54 HA CYS 54 -6.532 51.950 16.680 388 HB2 CYS 54 HB2 CYS 54 -7.508 54.482 18.006 389 HB3 CYS 54 HB3 CYS 54 -8.419 53.003 17.716 390 H GLY 55 H GLY 55 -7.850 52.184 14.906 391 HA2 GLY 55 HA2 GLY 55 -8.692 54.445 13.620 392 HA3 GLY 55 HA3 GLY 55 -7.066 54.189 13.006 393 H TRP 56 H TRP 56 -7.275 51.271 13.188 394 HA TRP 56 HA TRP 56 -8.741 50.870 10.698 395 HB2 TRP 56 HB2 TRP 56 -6.665 49.264 12.175 396 HB3 TRP 56 HB3 TRP 56 -7.591 48.569 10.847 397 HD1 TRP 56 HD1 TRP 56 -4.817 51.077 11.574 398 HE1 TRP 56 HE1 TRP 56 -3.694 51.742 9.356 399 HE3 TRP 56 HE3 TRP 56 -8.057 48.831 8.319 400 HZ2 TRP 56 HZ2 TRP 56 -4.126 51.365 6.592 401 HZ3 TRP 56 HZ3 TRP 56 -7.631 49.031 5.904 402 HH2 TRP 56 HH2 TRP 56 -5.706 50.273 5.060 403 H GLY 57 H GLY 57 -10.372 51.261 12.934 404 HA2 GLY 57 HA2 GLY 57 -12.245 50.355 13.905 405 HA3 GLY 57 HA3 GLY 57 -12.101 49.043 12.744 406 H SER 58 H SER 58 -9.621 49.877 15.082 407 HA SER 58 HA SER 58 -10.044 47.254 16.344 408 HB2 SER 58 HB2 SER 58 -7.636 48.866 15.711 409 HB3 SER 58 HB3 SER 58 -7.601 47.975 17.233 410 HG SER 58 HG SER 58 -7.091 47.019 14.875 411 H LYS 59 H LYS 59 -11.032 47.295 18.239 412 HA LYS 59 HA LYS 59 -11.180 49.722 19.799 413 HB2 LYS 59 HB2 LYS 59 -12.238 46.986 20.519 414 HB3 LYS 59 HB3 LYS 59 -12.738 48.532 21.193 415 HG2 LYS 59 HG2 LYS 59 -13.880 49.144 19.249 416 HG3 LYS 59 HG3 LYS 59 -13.063 47.918 18.277 417 HD2 LYS 59 HD2 LYS 59 -15.121 46.937 18.590 418 HD3 LYS 59 HD3 LYS 59 -14.214 46.260 19.944 419 HE2 LYS 59 HE2 LYS 59 -15.164 48.547 21.048 420 HE3 LYS 59 HE3 LYS 59 -16.465 48.153 19.925 421 HZ1 LYS 59 HZ1 LYS 59 -16.521 45.910 20.920 422 HZ2 LYS 59 HZ2 LYS 59 -16.913 47.132 22.023 423 HZ3 LYS 59 HZ3 LYS 59 -15.384 46.409 22.069 424 H CYS 60 H CYS 60 -10.638 49.811 22.076 425 HA CYS 60 HA CYS 60 -8.051 48.644 22.584 426 HB2 CYS 60 HB2 CYS 60 -9.795 50.561 24.129 427 HB3 CYS 60 HB3 CYS 60 -8.263 49.961 24.754 428 H CYS 61 H CYS 61 -7.513 47.152 24.132 429 HA CYS 61 HA CYS 61 -9.262 45.107 24.736 430 HB2 CYS 61 HB2 CYS 61 -6.783 45.980 26.232 431 HB3 CYS 61 HB3 CYS 61 -7.607 44.446 26.492 432 H HIS 62 H HIS 62 -9.898 44.375 26.976 433 HA HIS 62 HA HIS 62 -11.753 46.125 28.084 434 HB2 HIS 62 HB2 HIS 62 -10.530 43.547 28.947 435 HB3 HIS 62 HB3 HIS 62 -11.440 44.467 30.142 436 HD1 HIS 62 HD1 HIS 62 -11.842 42.298 27.182 437 HD2 HIS 62 HD2 HIS 62 -14.217 44.766 29.532 438 HE1 HIS 62 HE1 HIS 62 -14.214 41.699 26.602 439 H GLY 63 H GLY 63 -11.613 47.783 29.452 440 HA2 GLY 63 HA2 GLY 63 -10.845 48.994 31.300 441 HA3 GLY 63 HA3 GLY 63 -9.477 47.898 31.422 442 H LEU 64 H LEU 64 -10.127 49.186 28.310 443 HA LEU 64 HA LEU 64 -8.211 51.366 28.672 444 HB2 LEU 64 HB2 LEU 64 -7.947 49.172 26.624 445 HB3 LEU 64 HB3 LEU 64 -7.007 50.663 26.619 446 HG LEU 64 HG LEU 64 -6.935 48.765 28.946 447 HD11 LEU 64 HD11 LEU 64 -5.809 48.406 26.275 448 HD12 LEU 64 HD12 LEU 64 -6.029 47.244 27.583 449 HD13 LEU 64 HD13 LEU 64 -4.620 48.303 27.573 450 HD21 LEU 64 HD21 LEU 64 -4.623 49.824 29.097 451 HD22 LEU 64 HD22 LEU 64 -6.003 50.847 29.502 452 HD23 LEU 64 HD23 LEU 64 -5.214 51.009 27.932 453 H ASP 65 H ASP 65 -8.164 52.859 26.836 454 HA ASP 65 HA ASP 65 -10.318 52.682 24.910 455 HB2 ASP 65 HB2 ASP 65 -11.189 53.718 27.135 456 HB3 ASP 65 HB3 ASP 65 -10.280 55.141 26.632 457 H CYS 66 H CYS 66 -10.265 54.495 23.353 458 HA CYS 66 HA CYS 66 -7.537 55.581 23.103 459 HB2 CYS 66 HB2 CYS 66 -9.068 53.987 21.299 460 HB3 CYS 66 HB3 CYS 66 -8.861 55.581 20.580 461 HA PRO 67 HA PRO 67 -9.460 59.560 23.359 462 HB2 PRO 67 HB2 PRO 67 -7.300 61.025 22.610 463 HB3 PRO 67 HB3 PRO 67 -7.455 60.292 24.211 464 HG2 PRO 67 HG2 PRO 67 -5.935 59.320 21.822 465 HG3 PRO 67 HG3 PRO 67 -5.444 59.347 23.526 466 HD2 PRO 67 HD2 PRO 67 -6.351 57.106 22.307 467 HD3 PRO 67 HD3 PRO 67 -6.630 57.435 24.029 468 H LEU 68 H LEU 68 -9.831 61.464 21.967 469 HA LEU 68 HA LEU 68 -10.146 60.628 19.182 470 HB2 LEU 68 HB2 LEU 68 -11.470 62.632 20.944 471 HB3 LEU 68 HB3 LEU 68 -11.490 62.890 19.200 472 HG LEU 68 HG LEU 68 -12.604 60.480 20.638 473 HD11 LEU 68 HD11 LEU 68 -14.419 62.160 19.102 474 HD12 LEU 68 HD12 LEU 68 -13.693 62.996 20.474 475 HD13 LEU 68 HD13 LEU 68 -14.586 61.497 20.728 476 HD21 LEU 68 HD21 LEU 68 -11.878 59.775 18.500 477 HD22 LEU 68 HD22 LEU 68 -12.478 61.244 17.730 478 HD23 LEU 68 HD23 LEU 68 -13.614 60.052 18.363 479 H ALA 69 H ALA 69 -8.172 60.992 18.245 480 HA ALA 69 HA ALA 69 -7.550 63.725 17.606 481 HB1 ALA 69 HB1 ALA 69 -5.244 63.681 18.429 482 HB2 ALA 69 HB2 ALA 69 -6.409 63.546 19.747 483 HB3 ALA 69 HB3 ALA 69 -5.546 62.115 19.182 484 H PHE 70 H PHE 70 -5.164 63.581 16.453 485 HA PHE 70 HA PHE 70 -5.581 62.304 14.039 486 HB2 PHE 70 HB2 PHE 70 -2.891 62.949 15.264 487 HB3 PHE 70 HB3 PHE 70 -3.235 62.733 13.550 488 HD1 PHE 70 HD1 PHE 70 -2.428 65.129 15.770 489 HD2 PHE 70 HD2 PHE 70 -5.491 64.281 12.938 490 HE1 PHE 70 HE1 PHE 70 -2.903 67.535 15.569 491 HE2 PHE 70 HE2 PHE 70 -5.969 66.686 12.731 492 HZ PHE 70 HZ PHE 70 -4.674 68.316 14.047 493 H ILE 71 H ILE 71 -3.123 61.285 16.417 494 HA ILE 71 HA ILE 71 -3.676 58.495 15.651 495 HB ILE 71 HB ILE 71 -0.940 59.551 16.354 496 HG12 ILE 71 HG12 ILE 71 -0.761 58.853 13.736 497 HG13 ILE 71 HG13 ILE 71 -2.403 59.486 13.787 498 HG21 ILE 71 HG21 ILE 71 -1.930 56.918 15.277 499 HG22 ILE 71 HG22 ILE 71 -0.230 57.380 15.337 500 HG23 ILE 71 HG23 ILE 71 -1.153 57.222 16.831 501 HD11 ILE 71 HD11 ILE 71 -1.217 61.470 15.056 502 HD12 ILE 71 HD12 ILE 71 0.183 60.880 14.158 503 HD13 ILE 71 HD13 ILE 71 -1.269 61.387 13.295 504 HA PRO 72 HA PRO 72 -4.231 58.897 20.204 505 HB2 PRO 72 HB2 PRO 72 -6.301 57.144 20.318 506 HB3 PRO 72 HB3 PRO 72 -6.513 58.858 19.941 507 HG2 PRO 72 HG2 PRO 72 -6.390 56.511 18.086 508 HG3 PRO 72 HG3 PRO 72 -7.487 57.904 18.057 509 HD2 PRO 72 HD2 PRO 72 -5.326 57.717 16.435 510 HD3 PRO 72 HD3 PRO 72 -5.927 59.270 17.049 511 H TYR 73 H TYR 73 -4.241 57.147 21.867 512 HA TYR 73 HA TYR 73 -3.177 54.586 20.957 513 HB2 TYR 73 HB2 TYR 73 -1.726 56.223 23.041 514 HB3 TYR 73 HB3 TYR 73 -1.220 54.687 22.346 515 HD1 TYR 73 HD1 TYR 73 -0.833 54.688 19.759 516 HD2 TYR 73 HD2 TYR 73 -0.881 58.196 22.166 517 HE1 TYR 73 HE1 TYR 73 0.439 55.886 18.028 518 HE2 TYR 73 HE2 TYR 73 0.390 59.404 20.441 519 HH TYR 73 HH TYR 73 0.915 58.103 17.295 520 H CYS 74 H CYS 74 -3.925 52.935 22.132 521 HA CYS 74 HA CYS 74 -5.952 53.182 23.985 522 HB2 CYS 74 HB2 CYS 74 -3.992 50.957 23.460 523 HB3 CYS 74 HB3 CYS 74 -5.259 50.801 24.672 524 H GLU 75 H GLU 75 -6.097 53.473 26.137 525 HA GLU 75 HA GLU 75 -3.809 53.108 27.864 526 HB2 GLU 75 HB2 GLU 75 -3.715 55.380 28.683 527 HB3 GLU 75 HB3 GLU 75 -3.462 55.382 26.943 528 HG2 GLU 75 HG2 GLU 75 -5.904 55.938 26.702 529 HG3 GLU 75 HG3 GLU 75 -5.933 56.189 28.446 530 H LYS 76 H LYS 76 -4.352 53.359 30.139 531 HA LYS 76 HA LYS 76 -6.693 52.105 30.883 532 HB2 LYS 76 HB2 LYS 76 -5.026 54.028 32.518 533 HB3 LYS 76 HB3 LYS 76 -6.221 52.917 33.174 534 HG2 LYS 76 HG2 LYS 76 -3.935 51.903 31.534 535 HG3 LYS 76 HG3 LYS 76 -3.733 52.264 33.250 536 HD2 LYS 76 HD2 LYS 76 -6.036 50.574 32.399 537 HD3 LYS 76 HD3 LYS 76 -4.424 49.856 32.437 538 HE2 LYS 76 HE2 LYS 76 -5.648 51.334 34.759 539 HE3 LYS 76 HE3 LYS 76 -5.777 49.589 34.540 540 HZ1 LYS 76 HZ1 LYS 76 -3.881 49.512 35.684 541 HZ2 LYS 76 HZ2 LYS 76 -3.556 51.158 35.470 542 HZ3 LYS 76 HZ3 LYS 76 -3.124 50.048 34.270 543 H TYR 77 H TYR 77 -8.740 52.721 30.772 544 HA TYR 77 HA TYR 77 -9.643 55.235 30.043 545 HB2 TYR 77 HB2 TYR 77 -10.935 53.057 30.001 546 HB3 TYR 77 HB3 TYR 77 -11.228 53.288 31.721 547 HD1 TYR 77 HD1 TYR 77 -13.459 53.822 32.009 548 HD2 TYR 77 HD2 TYR 77 -11.298 55.673 28.846 549 HE1 TYR 77 HE1 TYR 77 -15.420 55.212 31.491 550 HE2 TYR 77 HE2 TYR 77 -13.253 57.070 28.320 551 HH TYR 77 HH TYR 77 -15.859 56.806 28.695 552 H ARG 78 H ARG 78 -9.560 57.104 31.079 553 HA ARG 78 HA ARG 78 -8.818 57.425 33.754 554 HB2 ARG 78 HB2 ARG 78 -9.479 59.776 33.474 555 HB3 ARG 78 HB3 ARG 78 -8.541 59.197 32.104 556 HG2 ARG 78 HG2 ARG 78 -10.172 60.255 30.957 557 HG3 ARG 78 HG3 ARG 78 -10.983 58.701 31.162 558 HD2 ARG 78 HD2 ARG 78 -11.750 59.868 33.434 559 HD3 ARG 78 HD3 ARG 78 -11.514 61.316 32.455 560 HE ARG 78 HE ARG 78 -13.603 59.363 32.186 561 HH11 ARG 78 HH11 ARG 78 -11.742 61.804 30.543 562 HH12 ARG 78 HH12 ARG 78 -12.953 62.103 29.340 563 HH21 ARG 78 HH21 ARG 78 -15.205 59.748 30.608 564 HH22 ARG 78 HH22 ARG 78 -14.922 60.934 29.379
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