NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5955 | 1i8x | 4971 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 1 HT1 VAL 1 -11.147 4.408 -0.296 2 2H VAL 1 HT2 VAL 1 -10.774 5.768 -1.230 3 3H VAL 1 HT3 VAL 1 -10.245 5.673 0.374 4 HA VAL 1 HA VAL 1 -9.413 3.490 -1.327 5 HB VAL 1 HB VAL 1 -7.510 4.859 -2.248 6 1HG1 VAL 1 HG11 VAL 1 -10.018 4.369 -3.267 7 2HG1 VAL 1 HG12 VAL 1 -8.622 4.940 -4.182 8 3HG1 VAL 1 HG13 VAL 1 -9.798 6.095 -3.555 9 1HG2 VAL 1 HG21 VAL 1 -7.645 6.796 -0.829 10 2HG2 VAL 1 HG22 VAL 1 -9.286 7.136 -1.380 11 3HG2 VAL 1 HG23 VAL 1 -7.930 7.296 -2.497 12 H ILE 2 HN ILE 2 -6.737 3.757 -1.060 13 HA ILE 2 HA ILE 2 -6.350 3.939 1.857 14 HB ILE 2 HB ILE 2 -5.113 2.027 -0.124 15 1HG1 ILE 2 HG12 ILE 2 -5.988 0.418 1.734 16 2HG1 ILE 2 HG11 ILE 2 -6.993 1.785 2.205 17 1HG2 ILE 2 HG21 ILE 2 -4.019 3.064 2.347 18 2HG2 ILE 2 HG22 ILE 2 -3.264 2.050 1.117 19 3HG2 ILE 2 HG23 ILE 2 -4.222 1.313 2.402 20 1HD1 ILE 2 HD11 ILE 2 -8.106 0.157 0.703 21 2HD1 ILE 2 HD12 ILE 2 -6.953 0.598 -0.556 22 3HD1 ILE 2 HD13 ILE 2 -8.071 1.805 0.077 23 H HIS 3 HN HIS 3 -5.178 5.658 2.366 24 HA HIS 3 HA HIS 3 -3.143 6.623 0.482 25 1HB HIS 3 HB2 HIS 3 -4.813 7.922 2.583 26 2HB HIS 3 HB1 HIS 3 -3.222 8.603 2.260 27 HD1 HIS 3 HD1 HIS 3 -2.821 9.523 -0.188 28 HD2 HIS 3 HD2 HIS 3 -6.748 8.501 0.709 29 HE1 HIS 3 HE1 HIS 3 -4.221 10.591 -1.983 30 HE2 HIS 3 HE2 HIS 3 -6.586 9.896 -1.463 31 H CYS 4 HN CYS 4 -3.631 5.859 3.909 32 HA CYS 4 HA CYS 4 -2.206 5.285 5.578 33 1HB CYS 4 HB2 CYS 4 -1.343 3.907 3.267 34 2HB CYS 4 HB1 CYS 4 0.109 4.478 4.081 35 H ASP 5 HN ASP 5 0.516 5.966 3.470 36 HA ASP 5 HA ASP 5 1.535 7.892 5.351 37 1HB ASP 5 HB2 ASP 5 2.758 6.131 3.719 38 2HB ASP 5 HB1 ASP 5 2.843 7.569 2.707 39 H ALA 6 HN ALA 6 -0.791 8.186 3.143 40 HA ALA 6 HA ALA 6 -1.735 9.891 1.971 41 1HB ALA 6 HB1 ALA 6 -0.398 12.170 2.997 42 2HB ALA 6 HB2 ALA 6 -0.608 11.025 4.322 43 3HB ALA 6 HB3 ALA 6 -2.007 11.569 3.396 44 H ALA 7 HN ALA 7 0.791 8.687 1.028 45 HA ALA 7 HA ALA 7 1.609 10.858 -0.785 46 1HB ALA 7 HB1 ALA 7 3.737 8.970 -0.464 47 2HB ALA 7 HB2 ALA 7 3.245 9.580 1.116 48 3HB ALA 7 HB3 ALA 7 3.732 10.706 -0.151 49 H THR 8 HN THR 8 0.455 7.702 -0.379 50 HA THR 8 HA THR 8 0.605 7.249 -3.264 51 HB THR 8 HB THR 8 0.965 4.721 -1.956 52 HG1 THR 8 HG1 THR 8 2.962 6.683 -1.402 53 1HG2 THR 8 HG21 THR 8 2.174 4.357 -3.804 54 2HG2 THR 8 HG22 THR 8 3.228 5.733 -3.478 55 3HG2 THR 8 HG23 THR 8 1.692 5.976 -4.310 56 H ILE 9 HN ILE 9 -1.339 6.737 -4.016 57 HA ILE 9 HA ILE 9 -3.455 6.007 -2.169 58 HB ILE 9 HB ILE 9 -3.789 6.259 -5.145 59 1HG1 ILE 9 HG12 ILE 9 -3.933 8.558 -3.186 60 2HG1 ILE 9 HG11 ILE 9 -2.534 8.243 -4.208 61 1HG2 ILE 9 HG21 ILE 9 -5.680 5.393 -3.921 62 2HG2 ILE 9 HG22 ILE 9 -6.041 7.026 -4.480 63 3HG2 ILE 9 HG23 ILE 9 -5.610 6.746 -2.793 64 1HD1 ILE 9 HD11 ILE 9 -4.826 8.274 -5.868 65 2HD1 ILE 9 HD12 ILE 9 -3.475 9.407 -5.831 66 3HD1 ILE 9 HD13 ILE 9 -4.890 9.689 -4.818 67 H CYS 10 HN CYS 10 -4.857 4.186 -2.510 68 HA CYS 10 HA CYS 10 -3.833 2.040 -4.203 69 1HB CYS 10 HB2 CYS 10 -4.011 1.953 -1.208 70 2HB CYS 10 HB1 CYS 10 -4.204 0.479 -2.150 71 HA PRO 11 HA PRO 11 -8.101 1.204 -4.948 72 1HB PRO 11 HB2 PRO 11 -7.514 -1.689 -4.860 73 2HB PRO 11 HB1 PRO 11 -8.128 -0.708 -6.193 74 1HG PRO 11 HG2 PRO 11 -5.625 -1.653 -6.204 75 2HG PRO 11 HG1 PRO 11 -6.012 -0.052 -6.861 76 1HD PRO 11 HD2 PRO 11 -4.792 -0.773 -4.221 77 2HD PRO 11 HD1 PRO 11 -4.367 0.544 -5.334 78 H ASP 12 HN ASP 12 -9.926 0.849 -3.791 79 HA ASP 12 HA ASP 12 -9.792 0.451 -1.024 80 1HB ASP 12 HB2 ASP 12 -12.390 -0.259 -2.139 81 2HB ASP 12 HB1 ASP 12 -11.954 1.063 -1.062 82 H GLY 13 HN GLY 13 -8.987 -1.380 -0.197 83 1HA GLY 13 HA2 GLY 13 -10.045 -3.616 0.460 84 2HA GLY 13 HA1 GLY 13 -9.973 -3.945 -1.264 85 H THR 14 HN THR 14 -7.343 -2.102 -0.592 86 HA THR 14 HA THR 14 -5.651 -4.472 -0.130 87 HB THR 14 HB THR 14 -3.864 -3.248 -1.370 88 HG1 THR 14 HG1 THR 14 -4.650 -1.130 -1.209 89 1HG2 THR 14 HG21 THR 14 -4.586 -3.936 -3.476 90 2HG2 THR 14 HG22 THR 14 -6.263 -3.494 -3.152 91 3HG2 THR 14 HG23 THR 14 -5.561 -4.917 -2.382 92 H THR 15 HN THR 15 -3.711 -4.168 1.078 93 HA THR 15 HA THR 15 -3.920 -1.967 3.014 94 HB THR 15 HB THR 15 -4.021 -4.193 4.016 95 HG1 THR 15 HG1 THR 15 -1.657 -2.687 4.496 96 1HG2 THR 15 HG21 THR 15 -1.312 -5.038 3.703 97 2HG2 THR 15 HG22 THR 15 -2.020 -4.800 2.106 98 3HG2 THR 15 HG23 THR 15 -2.792 -5.888 3.258 99 H CYS 16 HN CYS 16 -1.968 -0.951 3.765 100 HA CYS 16 HA CYS 16 -0.111 -0.455 1.609 101 1HB CYS 16 HB2 CYS 16 0.688 0.824 4.046 102 2HB CYS 16 HB1 CYS 16 0.058 1.554 2.574 103 H SER 17 HN SER 17 1.566 -1.755 1.287 104 HA SER 17 HA SER 17 2.997 -2.791 3.647 105 1HB SER 17 HB2 SER 17 2.982 -4.298 1.055 106 2HB SER 17 HB1 SER 17 3.242 -4.898 2.693 107 HG SER 17 HG SER 17 0.756 -3.818 1.917 108 H LEU 18 HN LEU 18 5.137 -2.441 3.710 109 HA LEU 18 HA LEU 18 6.325 -0.909 1.544 110 1HB LEU 18 HB2 LEU 18 6.813 -1.271 4.402 111 2HB LEU 18 HB1 LEU 18 8.286 -1.265 3.451 112 HG LEU 18 HG LEU 18 6.211 0.927 3.526 113 1HD1 LEU 18 HD11 LEU 18 9.048 1.282 4.334 114 2HD1 LEU 18 HD12 LEU 18 7.953 0.469 5.452 115 3HD1 LEU 18 HD13 LEU 18 7.596 2.107 4.903 116 1HD2 LEU 18 HD21 LEU 18 7.053 1.004 1.349 117 2HD2 LEU 18 HD22 LEU 18 8.675 0.537 1.860 118 3HD2 LEU 18 HD23 LEU 18 8.063 2.148 2.234 119 H SER 19 HN SER 19 7.912 -1.586 0.216 120 HA SER 19 HA SER 19 8.455 -4.424 0.109 121 1HB SER 19 HB2 SER 19 8.954 -4.073 -2.081 122 2HB SER 19 HB1 SER 19 8.153 -2.523 -1.822 123 HG SER 19 HG SER 19 10.311 -1.732 -1.239 124 HA PRO 20 HA PRO 20 12.403 -4.613 2.064 125 1HB PRO 20 HB2 PRO 20 13.565 -5.765 -0.416 126 2HB PRO 20 HB1 PRO 20 13.535 -6.421 1.225 127 1HG PRO 20 HG2 PRO 20 11.951 -7.424 -0.664 128 2HG PRO 20 HG1 PRO 20 11.372 -7.234 1.002 129 1HD PRO 20 HD2 PRO 20 10.812 -5.547 -1.406 130 2HD PRO 20 HD1 PRO 20 9.718 -6.044 -0.098 131 H TYR 21 HN TYR 21 12.001 -2.923 -0.875 132 HA TYR 21 HA TYR 21 14.605 -1.587 -0.534 133 1HB TYR 21 HB2 TYR 21 13.202 -1.093 -3.063 134 2HB TYR 21 HB1 TYR 21 14.881 -1.535 -2.774 135 HD1 TYR 21 HD1 TYR 21 11.867 -2.604 -4.186 136 HD2 TYR 21 HD2 TYR 21 15.207 -4.064 -1.990 137 HE1 TYR 21 HE1 TYR 21 11.396 -4.879 -4.992 138 HE2 TYR 21 HE2 TYR 21 14.745 -6.342 -2.791 139 HH TYR 21 HH TYR 21 13.506 -7.602 -4.150 140 H GLY 22 HN GLY 22 11.981 -1.075 0.812 141 1HA GLY 22 HA2 GLY 22 10.810 0.753 1.549 142 2HA GLY 22 HA1 GLY 22 12.091 1.735 0.851 143 H VAL 23 HN VAL 23 9.595 -0.406 -0.518 144 HA VAL 23 HA VAL 23 8.682 1.869 -2.152 145 HB VAL 23 HB VAL 23 8.677 -1.014 -3.052 146 1HG1 VAL 23 HG11 VAL 23 7.700 1.532 -4.173 147 2HG1 VAL 23 HG12 VAL 23 7.122 -0.116 -4.419 148 3HG1 VAL 23 HG13 VAL 23 8.540 0.461 -5.295 149 1HG2 VAL 23 HG21 VAL 23 10.886 0.722 -2.864 150 2HG2 VAL 23 HG22 VAL 23 10.445 0.648 -4.570 151 3HG2 VAL 23 HG23 VAL 23 10.798 -0.836 -3.686 152 H TRP 24 HN TRP 24 6.703 2.442 -1.543 153 HA TRP 24 HA TRP 24 4.995 0.728 -0.032 154 1HB TRP 24 HB2 TRP 24 4.555 3.440 -1.285 155 2HB TRP 24 HB1 TRP 24 3.341 2.617 -0.312 156 HD1 TRP 24 HD1 TRP 24 6.369 4.798 -0.028 157 HE1 TRP 24 HE1 TRP 24 6.911 5.219 2.453 158 HE3 TRP 24 HE3 TRP 24 3.251 1.339 2.084 159 HZ2 TRP 24 HZ2 TRP 24 6.122 4.218 4.971 160 HZ3 TRP 24 HZ3 TRP 24 3.205 1.135 4.536 161 HH2 TRP 24 HH2 TRP 24 4.611 2.545 5.948 162 H TYR 25 HN TYR 25 3.668 -0.780 -0.783 163 HA TYR 25 HA TYR 25 2.384 -0.380 -3.382 164 1HB TYR 25 HB2 TYR 25 2.810 -2.696 -4.046 165 2HB TYR 25 HB1 TYR 25 4.320 -1.829 -3.797 166 HD1 TYR 25 HD1 TYR 25 5.828 -2.448 -2.020 167 HD2 TYR 25 HD2 TYR 25 2.105 -4.453 -2.487 168 HE1 TYR 25 HE1 TYR 25 6.596 -4.217 -0.494 169 HE2 TYR 25 HE2 TYR 25 2.862 -6.226 -0.960 170 HH TYR 25 HH TYR 25 5.161 -7.168 -0.228 171 H CYS 26 HN CYS 26 0.428 -1.555 -3.676 172 HA CYS 26 HA CYS 26 -0.976 -1.987 -1.167 173 1HB CYS 26 HB2 CYS 26 -2.377 -2.318 -3.765 174 2HB CYS 26 HB1 CYS 26 -2.902 -1.501 -2.296 175 H SER 27 HN SER 27 -1.394 -3.914 -0.338 176 HA SER 27 HA SER 27 -1.107 -6.281 -2.071 177 1HB SER 27 HB2 SER 27 0.535 -5.869 -0.092 178 2HB SER 27 HB1 SER 27 -0.816 -6.382 0.918 179 HG SER 27 HG SER 27 -0.629 -8.127 -1.043 180 HA PRO 28 HA PRO 28 -5.496 -6.711 -1.221 181 1HB PRO 28 HB2 PRO 28 -5.813 -9.092 -2.518 182 2HB PRO 28 HB1 PRO 28 -5.755 -7.531 -3.343 183 1HG PRO 28 HG2 PRO 28 -3.586 -9.561 -2.979 184 2HG PRO 28 HG1 PRO 28 -4.009 -8.621 -4.422 185 1HD PRO 28 HD2 PRO 28 -1.940 -7.946 -2.835 186 2HD PRO 28 HD1 PRO 28 -2.931 -6.725 -3.659 187 H PHE 29 HN PHE 29 -6.618 -7.679 0.377 188 HA PHE 29 HA PHE 29 -5.573 -10.152 1.554 189 1HB PHE 29 HB2 PHE 29 -5.964 -9.219 3.833 190 2HB PHE 29 HB1 PHE 29 -4.670 -8.409 2.958 191 HD1 PHE 29 HD1 PHE 29 -8.121 -8.102 4.181 192 HD2 PHE 29 HD2 PHE 29 -4.842 -6.112 2.338 193 HE1 PHE 29 HE1 PHE 29 -9.221 -5.936 4.571 194 HE2 PHE 29 HE2 PHE 29 -5.936 -3.943 2.725 195 HZ PHE 29 HZ PHE 29 -8.128 -3.853 3.843 196 H SER 30 HN SER 30 -7.172 -11.096 3.145 197 HA SER 30 HA SER 30 -9.927 -10.330 2.868 198 1HB SER 30 HB2 SER 30 -9.440 -11.592 0.739 199 2HB SER 30 HB1 SER 30 -9.119 -13.014 1.732 200 HG SER 30 HG SER 30 -11.475 -11.859 2.398 Start of MODEL 2 1 1H VAL 1 HT1 VAL 1 10.784 5.595 -0.037 2 2H VAL 1 HT2 VAL 1 11.383 4.028 0.175 3 3H VAL 1 HT3 VAL 1 11.346 5.103 1.481 4 HA VAL 1 HA VAL 1 9.569 3.352 1.449 5 HB VAL 1 HB VAL 1 7.722 5.111 1.912 6 1HG1 VAL 1 HG11 VAL 1 10.244 5.380 3.528 7 2HG1 VAL 1 HG12 VAL 1 9.232 3.936 3.567 8 3HG1 VAL 1 HG13 VAL 1 8.573 5.489 4.082 9 1HG2 VAL 1 HG21 VAL 1 8.121 7.253 1.474 10 2HG2 VAL 1 HG22 VAL 1 9.601 6.760 0.651 11 3HG2 VAL 1 HG23 VAL 1 9.646 7.199 2.359 12 H ILE 2 HN ILE 2 7.067 3.557 0.841 13 HA ILE 2 HA ILE 2 6.993 3.650 -2.097 14 HB ILE 2 HB ILE 2 4.971 2.214 -0.410 15 1HG1 ILE 2 HG12 ILE 2 7.172 1.374 0.285 16 2HG1 ILE 2 HG11 ILE 2 6.290 0.158 -0.632 17 1HG2 ILE 2 HG21 ILE 2 4.336 1.169 -2.345 18 2HG2 ILE 2 HG22 ILE 2 5.924 1.345 -3.092 19 3HG2 ILE 2 HG23 ILE 2 4.847 2.736 -2.972 20 1HD1 ILE 2 HD11 ILE 2 7.794 0.144 -2.303 21 2HD1 ILE 2 HD12 ILE 2 8.864 0.773 -1.050 22 3HD1 ILE 2 HD13 ILE 2 8.099 1.878 -2.192 23 H HIS 3 HN HIS 3 5.863 5.223 -3.004 24 HA HIS 3 HA HIS 3 3.622 6.408 -1.502 25 1HB HIS 3 HB2 HIS 3 5.733 7.724 -3.197 26 2HB HIS 3 HB1 HIS 3 4.177 8.499 -2.920 27 HD1 HIS 3 HD1 HIS 3 4.735 10.341 -1.344 28 HD2 HIS 3 HD2 HIS 3 6.422 6.724 -0.186 29 HE1 HIS 3 HE1 HIS 3 5.774 10.773 0.905 30 HE2 HIS 3 HE2 HIS 3 6.838 8.585 1.561 31 H CYS 4 HN CYS 4 1.721 6.053 -2.441 32 HA CYS 4 HA CYS 4 1.659 5.698 -5.365 33 1HB CYS 4 HB2 CYS 4 0.508 4.091 -3.179 34 2HB CYS 4 HB1 CYS 4 -0.579 4.397 -4.529 35 H ASP 5 HN ASP 5 0.424 7.427 -2.679 36 HA ASP 5 HA ASP 5 -1.295 8.957 -4.467 37 1HB ASP 5 HB2 ASP 5 -2.990 8.903 -2.399 38 2HB ASP 5 HB1 ASP 5 -3.070 7.732 -3.712 39 H ALA 6 HN ALA 6 1.150 9.016 -2.437 40 HA ALA 6 HA ALA 6 2.165 10.565 -1.113 41 1HB ALA 6 HB1 ALA 6 1.248 11.888 -3.275 42 2HB ALA 6 HB2 ALA 6 2.199 12.639 -1.993 43 3HB ALA 6 HB3 ALA 6 0.442 12.787 -1.989 44 H ALA 7 HN ALA 7 -0.436 9.273 -0.249 45 HA ALA 7 HA ALA 7 -1.048 11.159 1.932 46 1HB ALA 7 HB1 ALA 7 -3.241 9.427 1.652 47 2HB ALA 7 HB2 ALA 7 -2.829 9.971 0.026 48 3HB ALA 7 HB3 ALA 7 -3.174 11.151 1.291 49 H THR 8 HN THR 8 -1.177 7.724 1.002 50 HA THR 8 HA THR 8 -0.720 7.005 3.815 51 HB THR 8 HB THR 8 -1.478 5.027 1.685 52 HG1 THR 8 HG1 THR 8 -3.692 5.589 2.819 53 1HG2 THR 8 HG21 THR 8 -1.060 4.976 4.513 54 2HG2 THR 8 HG22 THR 8 -1.445 3.641 3.427 55 3HG2 THR 8 HG23 THR 8 -2.744 4.575 4.170 56 H ILE 9 HN ILE 9 1.498 7.252 3.933 57 HA ILE 9 HA ILE 9 3.315 6.252 2.004 58 HB ILE 9 HB ILE 9 3.917 6.760 4.915 59 1HG1 ILE 9 HG12 ILE 9 4.158 8.772 2.681 60 2HG1 ILE 9 HG11 ILE 9 2.716 8.656 3.685 61 1HG2 ILE 9 HG21 ILE 9 5.542 5.625 3.167 62 2HG2 ILE 9 HG22 ILE 9 6.129 6.788 4.356 63 3HG2 ILE 9 HG23 ILE 9 5.819 7.303 2.698 64 1HD1 ILE 9 HD11 ILE 9 4.436 8.877 5.642 65 2HD1 ILE 9 HD12 ILE 9 3.876 10.300 4.762 66 3HD1 ILE 9 HD13 ILE 9 5.447 9.593 4.387 67 H CYS 10 HN CYS 10 4.354 4.344 1.827 68 HA CYS 10 HA CYS 10 3.653 2.241 3.770 69 1HB CYS 10 HB2 CYS 10 3.859 2.214 0.783 70 2HB CYS 10 HB1 CYS 10 4.207 0.739 1.678 71 HA PRO 11 HA PRO 11 7.991 1.598 4.361 72 1HB PRO 11 HB2 PRO 11 8.126 -0.994 5.037 73 2HB PRO 11 HB1 PRO 11 7.324 0.191 6.074 74 1HG PRO 11 HG2 PRO 11 6.126 -1.776 4.167 75 2HG PRO 11 HG1 PRO 11 5.585 -1.320 5.792 76 1HD PRO 11 HD2 PRO 11 4.501 -0.331 3.467 77 2HD PRO 11 HD1 PRO 11 4.452 0.512 5.027 78 H ASP 12 HN ASP 12 9.845 1.003 3.284 79 HA ASP 12 HA ASP 12 9.653 0.279 0.580 80 1HB ASP 12 HB2 ASP 12 11.568 1.491 1.091 81 2HB ASP 12 HB1 ASP 12 11.933 0.519 2.513 82 H GLY 13 HN GLY 13 8.966 -1.623 -0.120 83 1HA GLY 13 HA2 GLY 13 9.963 -3.931 -0.456 84 2HA GLY 13 HA1 GLY 13 9.872 -4.051 1.294 85 H THR 14 HN THR 14 7.297 -2.323 -0.109 86 HA THR 14 HA THR 14 5.608 -4.713 -0.293 87 HB THR 14 HB THR 14 3.812 -3.194 0.903 88 HG1 THR 14 HG1 THR 14 4.649 -1.735 2.294 89 1HG2 THR 14 HG21 THR 14 4.162 -4.404 2.890 90 2HG2 THR 14 HG22 THR 14 5.905 -4.484 2.635 91 3HG2 THR 14 HG23 THR 14 4.820 -5.431 1.617 92 H THR 15 HN THR 15 3.652 -4.407 -1.490 93 HA THR 15 HA THR 15 3.842 -2.167 -3.383 94 HB THR 15 HB THR 15 3.928 -4.282 -4.512 95 HG1 THR 15 HG1 THR 15 2.184 -3.988 -5.892 96 1HG2 THR 15 HG21 THR 15 2.914 -6.105 -3.736 97 2HG2 THR 15 HG22 THR 15 1.334 -5.362 -3.988 98 3HG2 THR 15 HG23 THR 15 2.182 -5.135 -2.459 99 H CYS 16 HN CYS 16 1.939 -1.063 -4.048 100 HA CYS 16 HA CYS 16 0.140 -0.515 -1.899 101 1HB CYS 16 HB2 CYS 16 -0.246 0.421 -4.731 102 2HB CYS 16 HB1 CYS 16 -0.700 1.231 -3.236 103 H SER 17 HN SER 17 -1.523 -1.769 -1.383 104 HA SER 17 HA SER 17 -3.044 -3.038 -3.568 105 1HB SER 17 HB2 SER 17 -1.655 -4.451 -1.763 106 2HB SER 17 HB1 SER 17 -3.143 -4.229 -0.845 107 HG SER 17 HG SER 17 -4.279 -5.227 -2.489 108 H LEU 18 HN LEU 18 -5.155 -2.565 -3.672 109 HA LEU 18 HA LEU 18 -6.271 -0.854 -1.587 110 1HB LEU 18 HB2 LEU 18 -6.734 -1.248 -4.458 111 2HB LEU 18 HB1 LEU 18 -8.199 -1.032 -3.520 112 HG LEU 18 HG LEU 18 -5.869 0.889 -3.592 113 1HD1 LEU 18 HD11 LEU 18 -8.588 1.550 -4.591 114 2HD1 LEU 18 HD12 LEU 18 -7.536 0.568 -5.610 115 3HD1 LEU 18 HD13 LEU 18 -7.015 2.171 -5.091 116 1HD2 LEU 18 HD21 LEU 18 -8.544 1.046 -2.207 117 2HD2 LEU 18 HD22 LEU 18 -7.413 2.390 -2.371 118 3HD2 LEU 18 HD23 LEU 18 -6.957 0.962 -1.441 119 H SER 19 HN SER 19 -8.036 -1.342 -0.379 120 HA SER 19 HA SER 19 -8.767 -4.147 -0.217 121 1HB SER 19 HB2 SER 19 -8.445 -2.129 1.660 122 2HB SER 19 HB1 SER 19 -10.196 -2.324 1.566 123 HG SER 19 HG SER 19 -8.474 -4.545 1.824 124 HA PRO 20 HA PRO 20 -12.666 -4.052 -2.278 125 1HB PRO 20 HB2 PRO 20 -14.021 -5.043 0.170 126 2HB PRO 20 HB1 PRO 20 -13.959 -5.749 -1.449 127 1HG PRO 20 HG2 PRO 20 -12.556 -6.805 0.556 128 2HG PRO 20 HG1 PRO 20 -11.890 -6.730 -1.087 129 1HD PRO 20 HD2 PRO 20 -11.299 -4.998 1.282 130 2HD PRO 20 HD1 PRO 20 -10.192 -5.638 0.048 131 H TYR 21 HN TYR 21 -12.169 -2.244 0.545 132 HA TYR 21 HA TYR 21 -14.669 -0.747 0.099 133 1HB TYR 21 HB2 TYR 21 -13.348 -0.297 2.676 134 2HB TYR 21 HB1 TYR 21 -15.041 -0.625 2.319 135 HD1 TYR 21 HD1 TYR 21 -15.591 -3.110 1.677 136 HD2 TYR 21 HD2 TYR 21 -12.100 -1.902 3.789 137 HE1 TYR 21 HE1 TYR 21 -15.331 -5.396 2.541 138 HE2 TYR 21 HE2 TYR 21 -11.832 -4.186 4.662 139 HH TYR 21 HH TYR 21 -12.491 -6.378 4.320 140 H GLY 22 HN GLY 22 -11.944 -0.473 -1.129 141 1HA GLY 22 HA2 GLY 22 -10.637 1.264 -1.867 142 2HA GLY 22 HA1 GLY 22 -11.842 2.349 -1.191 143 H VAL 23 HN VAL 23 -9.701 -0.026 0.360 144 HA VAL 23 HA VAL 23 -8.643 2.170 2.016 145 HB VAL 23 HB VAL 23 -8.850 -0.759 2.737 146 1HG1 VAL 23 HG11 VAL 23 -7.406 1.492 3.909 147 2HG1 VAL 23 HG12 VAL 23 -7.208 -0.241 4.167 148 3HG1 VAL 23 HG13 VAL 23 -8.447 0.646 5.054 149 1HG2 VAL 23 HG21 VAL 23 -10.940 0.888 2.627 150 2HG2 VAL 23 HG22 VAL 23 -10.329 1.338 4.218 151 3HG2 VAL 23 HG23 VAL 23 -10.767 -0.337 3.884 152 H TRP 24 HN TRP 24 -6.626 2.701 1.562 153 HA TRP 24 HA TRP 24 -4.940 1.016 -0.034 154 1HB TRP 24 HB2 TRP 24 -4.601 3.727 1.227 155 2HB TRP 24 HB1 TRP 24 -3.259 2.911 0.430 156 HD1 TRP 24 HD1 TRP 24 -6.192 5.085 -0.275 157 HE1 TRP 24 HE1 TRP 24 -6.478 5.393 -2.814 158 HE3 TRP 24 HE3 TRP 24 -2.975 1.459 -1.898 159 HZ2 TRP 24 HZ2 TRP 24 -5.473 4.248 -5.191 160 HZ3 TRP 24 HZ3 TRP 24 -2.696 1.129 -4.320 161 HH2 TRP 24 HH2 TRP 24 -3.919 2.495 -5.931 162 H TYR 25 HN TYR 25 -3.753 -0.582 0.735 163 HA TYR 25 HA TYR 25 -2.363 -0.221 3.282 164 1HB TYR 25 HB2 TYR 25 -2.911 -2.479 4.023 165 2HB TYR 25 HB1 TYR 25 -4.380 -1.542 3.782 166 HD1 TYR 25 HD1 TYR 25 -5.926 -2.093 1.981 167 HD2 TYR 25 HD2 TYR 25 -2.370 -4.355 2.583 168 HE1 TYR 25 HE1 TYR 25 -6.815 -3.870 0.534 169 HE2 TYR 25 HE2 TYR 25 -3.251 -6.134 1.134 170 HH TYR 25 HH TYR 25 -5.830 -6.861 0.475 171 H CYS 26 HN CYS 26 -0.400 -1.307 3.456 172 HA CYS 26 HA CYS 26 0.826 -1.943 0.913 173 1HB CYS 26 HB2 CYS 26 2.354 -2.249 3.440 174 2HB CYS 26 HB1 CYS 26 2.827 -1.497 1.920 175 H SER 27 HN SER 27 1.026 -3.922 0.120 176 HA SER 27 HA SER 27 0.835 -6.200 1.977 177 1HB SER 27 HB2 SER 27 -1.091 -6.227 0.563 178 2HB SER 27 HB1 SER 27 -0.117 -5.922 -0.874 179 HG SER 27 HG SER 27 -0.789 -8.157 -0.527 180 HA PRO 28 HA PRO 28 5.005 -7.027 0.587 181 1HB PRO 28 HB2 PRO 28 5.369 -9.348 1.927 182 2HB PRO 28 HB1 PRO 28 5.399 -7.774 2.730 183 1HG PRO 28 HG2 PRO 28 3.174 -9.772 2.563 184 2HG PRO 28 HG1 PRO 28 3.735 -8.839 3.963 185 1HD PRO 28 HD2 PRO 28 1.556 -8.133 2.513 186 2HD PRO 28 HD1 PRO 28 2.602 -6.943 3.313 187 H PHE 29 HN PHE 29 6.052 -8.409 -0.856 188 HA PHE 29 HA PHE 29 4.274 -10.275 -2.274 189 1HB PHE 29 HB2 PHE 29 6.389 -9.897 -3.968 190 2HB PHE 29 HB1 PHE 29 4.876 -9.002 -4.034 191 HD1 PHE 29 HD1 PHE 29 8.275 -8.906 -2.531 192 HD2 PHE 29 HD2 PHE 29 4.880 -6.694 -3.831 193 HE1 PHE 29 HE1 PHE 29 9.509 -6.808 -2.172 194 HE2 PHE 29 HE2 PHE 29 6.108 -4.592 -3.474 195 HZ PHE 29 HZ PHE 29 8.426 -4.648 -2.644 196 H SER 30 HN SER 30 7.358 -9.932 -0.688 197 HA SER 30 HA SER 30 8.576 -12.314 -1.556 198 1HB SER 30 HB2 SER 30 9.981 -10.746 -0.479 199 2HB SER 30 HB1 SER 30 8.915 -10.628 0.921 200 HG SER 30 HG SER 30 10.275 -12.033 1.715 Start of MODEL 3 1 1H VAL 1 HT1 VAL 1 11.435 -3.510 -0.785 2 2H VAL 1 HT2 VAL 1 11.352 -4.583 -2.090 3 3H VAL 1 HT3 VAL 1 10.920 -5.103 -0.539 4 HA VAL 1 HA VAL 1 9.507 -2.902 -1.904 5 HB VAL 1 HB VAL 1 7.720 -4.732 -2.299 6 1HG1 VAL 1 HG11 VAL 1 8.373 -3.911 -4.290 7 2HG1 VAL 1 HG12 VAL 1 9.237 -5.443 -4.422 8 3HG1 VAL 1 HG13 VAL 1 10.086 -3.995 -3.881 9 1HG2 VAL 1 HG21 VAL 1 10.157 -6.498 -2.398 10 2HG2 VAL 1 HG22 VAL 1 8.468 -6.962 -2.598 11 3HG2 VAL 1 HG23 VAL 1 9.060 -6.450 -1.018 12 H ILE 2 HN ILE 2 6.979 -3.735 -1.167 13 HA ILE 2 HA ILE 2 7.125 -3.715 1.778 14 HB ILE 2 HB ILE 2 4.860 -2.449 0.275 15 1HG1 ILE 2 HG12 ILE 2 6.938 -1.405 -0.558 16 2HG1 ILE 2 HG11 ILE 2 5.972 -0.284 0.394 17 1HG2 ILE 2 HG21 ILE 2 5.397 -1.046 2.602 18 2HG2 ILE 2 HG22 ILE 2 5.687 -2.731 3.034 19 3HG2 ILE 2 HG23 ILE 2 4.128 -2.248 2.365 20 1HD1 ILE 2 HD11 ILE 2 8.462 -1.723 1.271 21 2HD1 ILE 2 HD12 ILE 2 7.458 -0.725 2.323 22 3HD1 ILE 2 HD13 ILE 2 8.281 0.000 0.941 23 H HIS 3 HN HIS 3 5.857 -5.118 2.868 24 HA HIS 3 HA HIS 3 3.742 -6.538 1.420 25 1HB HIS 3 HB2 HIS 3 6.055 -7.815 2.875 26 2HB HIS 3 HB1 HIS 3 4.550 -8.675 2.564 27 HD1 HIS 3 HD1 HIS 3 4.183 -9.584 0.230 28 HD2 HIS 3 HD2 HIS 3 7.569 -7.195 0.534 29 HE1 HIS 3 HE1 HIS 3 5.421 -9.894 -1.937 30 HE2 HIS 3 HE2 HIS 3 7.484 -8.463 -1.719 31 H CYS 4 HN CYS 4 2.258 -5.335 2.638 32 HA CYS 4 HA CYS 4 2.329 -5.374 5.513 33 1HB CYS 4 HB2 CYS 4 0.467 -4.276 3.441 34 2HB CYS 4 HB1 CYS 4 -0.084 -4.418 5.106 35 H ASP 5 HN ASP 5 0.137 -6.736 3.055 36 HA ASP 5 HA ASP 5 -0.735 -8.711 5.061 37 1HB ASP 5 HB2 ASP 5 -2.199 -7.295 2.868 38 2HB ASP 5 HB1 ASP 5 -2.733 -8.901 3.357 39 H ALA 6 HN ALA 6 1.436 -8.560 2.792 40 HA ALA 6 HA ALA 6 2.443 -10.003 1.348 41 1HB ALA 6 HB1 ALA 6 1.716 -11.454 3.565 42 2HB ALA 6 HB2 ALA 6 2.793 -12.002 2.280 43 3HB ALA 6 HB3 ALA 6 1.080 -12.420 2.234 44 H ALA 7 HN ALA 7 -0.282 -8.898 0.714 45 HA ALA 7 HA ALA 7 -1.076 -10.897 -1.302 46 1HB ALA 7 HB1 ALA 7 -2.750 -10.267 0.516 47 2HB ALA 7 HB2 ALA 7 -3.305 -10.183 -1.156 48 3HB ALA 7 HB3 ALA 7 -2.866 -8.706 -0.297 49 H THR 8 HN THR 8 -1.117 -7.372 -0.741 50 HA THR 8 HA THR 8 -0.711 -6.982 -3.627 51 HB THR 8 HB THR 8 -1.679 -5.007 -1.550 52 HG1 THR 8 HG1 THR 8 -3.676 -5.420 -2.334 53 1HG2 THR 8 HG21 THR 8 -1.887 -4.572 -4.497 54 2HG2 THR 8 HG22 THR 8 -0.359 -4.229 -3.686 55 3HG2 THR 8 HG23 THR 8 -1.830 -3.392 -3.188 56 H ILE 9 HN ILE 9 1.453 -7.039 -3.944 57 HA ILE 9 HA ILE 9 3.366 -5.968 -2.137 58 HB ILE 9 HB ILE 9 3.897 -6.377 -5.067 59 1HG1 ILE 9 HG12 ILE 9 3.997 -8.584 -3.010 60 2HG1 ILE 9 HG11 ILE 9 2.591 -8.316 -4.035 61 1HG2 ILE 9 HG21 ILE 9 5.476 -6.160 -2.589 62 2HG2 ILE 9 HG22 ILE 9 5.881 -5.693 -4.242 63 3HG2 ILE 9 HG23 ILE 9 6.016 -7.380 -3.743 64 1HD1 ILE 9 HD11 ILE 9 5.294 -9.324 -4.746 65 2HD1 ILE 9 HD12 ILE 9 4.359 -8.451 -5.960 66 3HD1 ILE 9 HD13 ILE 9 3.703 -9.913 -5.226 67 H CYS 10 HN CYS 10 4.093 -3.948 -1.906 68 HA CYS 10 HA CYS 10 3.388 -1.979 -3.982 69 1HB CYS 10 HB2 CYS 10 3.202 -1.864 -1.008 70 2HB CYS 10 HB1 CYS 10 3.592 -0.382 -1.873 71 HA PRO 11 HA PRO 11 7.647 -0.958 -4.494 72 1HB PRO 11 HB2 PRO 11 6.829 1.896 -4.459 73 2HB PRO 11 HB1 PRO 11 7.686 0.985 -5.708 74 1HG PRO 11 HG2 PRO 11 5.135 1.670 -6.040 75 2HG PRO 11 HG1 PRO 11 5.731 0.088 -6.580 76 1HD PRO 11 HD2 PRO 11 4.147 0.783 -4.137 77 2HD PRO 11 HD1 PRO 11 3.982 -0.609 -5.229 78 H ASP 12 HN ASP 12 9.421 -0.306 -3.326 79 HA ASP 12 HA ASP 12 9.196 -0.070 -0.556 80 1HB ASP 12 HB2 ASP 12 11.553 0.220 -0.512 81 2HB ASP 12 HB1 ASP 12 11.218 -0.829 -1.886 82 H GLY 13 HN GLY 13 9.105 2.360 -3.030 83 1HA GLY 13 HA2 GLY 13 9.596 4.530 -1.153 84 2HA GLY 13 HA1 GLY 13 9.288 4.691 -2.875 85 H THR 14 HN THR 14 7.151 2.704 -1.038 86 HA THR 14 HA THR 14 5.245 4.873 -0.628 87 HB THR 14 HB THR 14 3.446 3.320 -1.677 88 HG1 THR 14 HG1 THR 14 4.542 1.529 -2.261 89 1HG2 THR 14 HG21 THR 14 5.307 4.625 -3.643 90 2HG2 THR 14 HG22 THR 14 4.336 5.572 -2.516 91 3HG2 THR 14 HG23 THR 14 3.548 4.521 -3.692 92 H THR 15 HN THR 15 3.108 3.807 0.282 93 HA THR 15 HA THR 15 3.827 1.649 2.143 94 HB THR 15 HB THR 15 4.000 3.706 3.416 95 HG1 THR 15 HG1 THR 15 1.485 2.711 4.195 96 1HG2 THR 15 HG21 THR 15 1.524 4.364 1.969 97 2HG2 THR 15 HG22 THR 15 2.790 5.422 2.591 98 3HG2 THR 15 HG23 THR 15 1.536 4.816 3.673 99 H CYS 16 HN CYS 16 1.952 0.551 3.083 100 HA CYS 16 HA CYS 16 -0.104 0.176 1.083 101 1HB CYS 16 HB2 CYS 16 -0.460 -1.303 3.571 102 2HB CYS 16 HB1 CYS 16 -0.288 -1.898 1.924 103 H SER 17 HN SER 17 -1.673 1.653 1.062 104 HA SER 17 HA SER 17 -2.969 2.326 3.622 105 1HB SER 17 HB2 SER 17 -3.282 4.119 1.259 106 2HB SER 17 HB1 SER 17 -3.245 4.520 2.976 107 HG SER 17 HG SER 17 -1.264 4.658 1.228 108 H LEU 18 HN LEU 18 -5.165 2.142 3.762 109 HA LEU 18 HA LEU 18 -6.453 0.696 1.584 110 1HB LEU 18 HB2 LEU 18 -6.874 0.961 4.490 111 2HB LEU 18 HB1 LEU 18 -8.334 0.818 3.529 112 HG LEU 18 HG LEU 18 -6.046 -1.154 3.534 113 1HD1 LEU 18 HD11 LEU 18 -7.456 -2.604 4.775 114 2HD1 LEU 18 HD12 LEU 18 -8.829 -1.510 4.617 115 3HD1 LEU 18 HD13 LEU 18 -7.447 -1.053 5.613 116 1HD2 LEU 18 HD21 LEU 18 -6.874 -1.794 1.567 117 2HD2 LEU 18 HD22 LEU 18 -8.272 -0.731 1.726 118 3HD2 LEU 18 HD23 LEU 18 -8.301 -2.340 2.449 119 H SER 19 HN SER 19 -8.294 1.343 0.547 120 HA SER 19 HA SER 19 -8.869 4.211 0.678 121 1HB SER 19 HB2 SER 19 -8.516 2.437 -1.457 122 2HB SER 19 HB1 SER 19 -10.250 2.755 -1.425 123 HG SER 19 HG SER 19 -8.140 4.454 -1.996 124 HA PRO 20 HA PRO 20 -12.893 3.902 2.472 125 1HB PRO 20 HB2 PRO 20 -14.099 5.139 0.051 126 2HB PRO 20 HB1 PRO 20 -14.176 5.658 1.740 127 1HG PRO 20 HG2 PRO 20 -12.646 6.960 0.001 128 2HG PRO 20 HG1 PRO 20 -12.087 6.672 1.660 129 1HD PRO 20 HD2 PRO 20 -11.336 5.252 -0.868 130 2HD PRO 20 HD1 PRO 20 -10.309 5.742 0.496 131 H TYR 21 HN TYR 21 -12.179 2.330 -0.418 132 HA TYR 21 HA TYR 21 -14.719 0.838 -0.335 133 1HB TYR 21 HB2 TYR 21 -13.204 0.480 -2.789 134 2HB TYR 21 HB1 TYR 21 -14.882 0.963 -2.571 135 HD1 TYR 21 HD1 TYR 21 -15.252 3.456 -1.850 136 HD2 TYR 21 HD2 TYR 21 -11.695 1.999 -3.673 137 HE1 TYR 21 HE1 TYR 21 -14.684 5.741 -2.552 138 HE2 TYR 21 HE2 TYR 21 -11.117 4.280 -4.384 139 HH TYR 21 HH TYR 21 -11.860 6.778 -3.334 140 H GLY 22 HN GLY 22 -12.083 0.471 1.106 141 1HA GLY 22 HA2 GLY 22 -10.821 -1.304 1.825 142 2HA GLY 22 HA1 GLY 22 -12.022 -2.342 1.070 143 H VAL 23 HN VAL 23 -9.828 0.039 -0.384 144 HA VAL 23 HA VAL 23 -8.719 -2.141 -2.025 145 HB VAL 23 HB VAL 23 -8.877 0.798 -2.716 146 1HG1 VAL 23 HG11 VAL 23 -7.253 0.297 -4.160 147 2HG1 VAL 23 HG12 VAL 23 -8.456 -0.656 -5.029 148 3HG1 VAL 23 HG13 VAL 23 -7.402 -1.433 -3.847 149 1HG2 VAL 23 HG21 VAL 23 -10.894 -1.141 -2.802 150 2HG2 VAL 23 HG22 VAL 23 -10.337 -0.957 -4.466 151 3HG2 VAL 23 HG23 VAL 23 -10.902 0.450 -3.564 152 H TRP 24 HN TRP 24 -6.584 -2.508 -1.983 153 HA TRP 24 HA TRP 24 -4.966 -0.916 -0.160 154 1HB TRP 24 HB2 TRP 24 -4.607 -3.593 -1.483 155 2HB TRP 24 HB1 TRP 24 -3.259 -2.780 -0.695 156 HD1 TRP 24 HD1 TRP 24 -6.087 -5.056 0.021 157 HE1 TRP 24 HE1 TRP 24 -6.349 -5.392 2.559 158 HE3 TRP 24 HE3 TRP 24 -3.044 -1.288 1.659 159 HZ2 TRP 24 HZ2 TRP 24 -5.393 -4.216 4.941 160 HZ3 TRP 24 HZ3 TRP 24 -2.772 -0.960 4.082 161 HH2 TRP 24 HH2 TRP 24 -3.923 -2.395 5.688 162 H TYR 25 HN TYR 25 -4.154 0.878 -1.067 163 HA TYR 25 HA TYR 25 -2.775 0.588 -3.653 164 1HB TYR 25 HB2 TYR 25 -3.232 2.960 -4.075 165 2HB TYR 25 HB1 TYR 25 -4.727 2.063 -3.837 166 HD1 TYR 25 HD1 TYR 25 -6.105 2.443 -1.869 167 HD2 TYR 25 HD2 TYR 25 -2.487 4.608 -2.451 168 HE1 TYR 25 HE1 TYR 25 -6.791 4.047 -0.135 169 HE2 TYR 25 HE2 TYR 25 -3.163 6.215 -0.718 170 HH TYR 25 HH TYR 25 -4.996 6.980 0.470 171 H CYS 26 HN CYS 26 -0.814 1.762 -3.930 172 HA CYS 26 HA CYS 26 0.662 2.035 -1.433 173 1HB CYS 26 HB2 CYS 26 1.935 2.408 -4.111 174 2HB CYS 26 HB1 CYS 26 2.593 1.678 -2.650 175 H SER 27 HN SER 27 0.833 3.941 -0.487 176 HA SER 27 HA SER 27 0.614 6.371 -2.124 177 1HB SER 27 HB2 SER 27 -0.630 5.633 0.290 178 2HB SER 27 HB1 SER 27 0.545 6.877 0.718 179 HG SER 27 HG SER 27 -0.523 7.848 -1.375 180 HA PRO 28 HA PRO 28 4.947 7.024 -1.347 181 1HB PRO 28 HB2 PRO 28 5.165 9.523 -2.335 182 2HB PRO 28 HB1 PRO 28 4.955 8.111 -3.377 183 1HG PRO 28 HG2 PRO 28 2.919 10.101 -2.450 184 2HG PRO 28 HG1 PRO 28 3.145 9.404 -4.065 185 1HD PRO 28 HD2 PRO 28 1.257 8.521 -2.315 186 2HD PRO 28 HD1 PRO 28 2.024 7.472 -3.523 187 H PHE 29 HN PHE 29 6.148 7.820 0.286 188 HA PHE 29 HA PHE 29 5.138 10.086 1.839 189 1HB PHE 29 HB2 PHE 29 5.521 8.925 3.957 190 2HB PHE 29 HB1 PHE 29 4.328 8.072 2.986 191 HD1 PHE 29 HD1 PHE 29 4.879 5.929 1.944 192 HD2 PHE 29 HD2 PHE 29 7.642 7.946 4.474 193 HE1 PHE 29 HE1 PHE 29 6.177 3.853 2.176 194 HE2 PHE 29 HE2 PHE 29 8.948 5.875 4.707 195 HZ PHE 29 HZ PHE 29 8.216 3.824 3.556 196 H SER 30 HN SER 30 6.880 10.529 3.677 197 HA SER 30 HA SER 30 9.593 9.953 2.985 198 1HB SER 30 HB2 SER 30 9.001 11.661 1.260 199 2HB SER 30 HB1 SER 30 8.654 12.800 2.561 200 HG SER 30 HG SER 30 11.043 11.799 3.037 Start of MODEL 4 1 1H VAL 1 HT1 VAL 1 -11.551 -4.547 1.599 2 2H VAL 1 HT2 VAL 1 -11.117 -4.488 -0.035 3 3H VAL 1 HT3 VAL 1 -11.677 -3.094 0.740 4 HA VAL 1 HA VAL 1 -9.738 -2.675 1.778 5 HB VAL 1 HB VAL 1 -8.078 -4.432 2.347 6 1HG1 VAL 1 HG11 VAL 1 -9.117 -4.824 4.298 7 2HG1 VAL 1 HG12 VAL 1 -10.521 -5.553 3.520 8 3HG1 VAL 1 HG13 VAL 1 -10.387 -3.798 3.632 9 1HG2 VAL 1 HG21 VAL 1 -8.188 -6.528 1.583 10 2HG2 VAL 1 HG22 VAL 1 -9.401 -5.934 0.449 11 3HG2 VAL 1 HG23 VAL 1 -9.902 -6.666 1.973 12 H ILE 2 HN ILE 2 -7.188 -3.537 1.140 13 HA ILE 2 HA ILE 2 -7.128 -3.254 -1.794 14 HB ILE 2 HB ILE 2 -5.001 -2.163 0.030 15 1HG1 ILE 2 HG12 ILE 2 -7.138 -1.086 0.616 16 2HG1 ILE 2 HG11 ILE 2 -6.042 0.043 -0.171 17 1HG2 ILE 2 HG21 ILE 2 -4.951 -0.622 -2.157 18 2HG2 ILE 2 HG22 ILE 2 -5.584 -2.109 -2.864 19 3HG2 ILE 2 HG23 ILE 2 -4.039 -2.125 -2.014 20 1HD1 ILE 2 HD11 ILE 2 -8.462 0.147 -0.865 21 2HD1 ILE 2 HD12 ILE 2 -8.209 -1.408 -1.657 22 3HD1 ILE 2 HD13 ILE 2 -7.284 0.004 -2.170 23 H HIS 3 HN HIS 3 -6.241 -4.932 -2.781 24 HA HIS 3 HA HIS 3 -4.083 -6.406 -1.422 25 1HB HIS 3 HB2 HIS 3 -6.585 -7.415 -2.666 26 2HB HIS 3 HB1 HIS 3 -5.122 -8.347 -2.965 27 HD1 HIS 3 HD1 HIS 3 -3.912 -9.332 -0.817 28 HD2 HIS 3 HD2 HIS 3 -7.694 -7.737 -0.173 29 HE1 HIS 3 HE1 HIS 3 -4.635 -10.203 1.428 30 HE2 HIS 3 HE2 HIS 3 -6.886 -9.149 1.837 31 H CYS 4 HN CYS 4 -2.568 -5.151 -2.593 32 HA CYS 4 HA CYS 4 -2.594 -5.012 -5.440 33 1HB CYS 4 HB2 CYS 4 -0.803 -4.151 -3.257 34 2HB CYS 4 HB1 CYS 4 -0.009 -4.483 -4.793 35 H ASP 5 HN ASP 5 -0.407 -6.724 -3.193 36 HA ASP 5 HA ASP 5 0.097 -8.678 -5.342 37 1HB ASP 5 HB2 ASP 5 1.895 -7.292 -3.469 38 2HB ASP 5 HB1 ASP 5 2.182 -9.024 -3.606 39 H ALA 6 HN ALA 6 -2.086 -8.777 -3.446 40 HA ALA 6 HA ALA 6 -3.166 -10.249 -2.092 41 1HB ALA 6 HB1 ALA 6 -1.961 -11.752 -3.967 42 2HB ALA 6 HB2 ALA 6 -2.982 -12.417 -2.692 43 3HB ALA 6 HB3 ALA 6 -1.228 -12.432 -2.514 44 H ALA 7 HN ALA 7 -0.599 -8.778 -1.203 45 HA ALA 7 HA ALA 7 -0.426 -10.133 1.393 46 1HB ALA 7 HB1 ALA 7 1.724 -9.815 -0.519 47 2HB ALA 7 HB2 ALA 7 1.667 -10.763 0.966 48 3HB ALA 7 HB3 ALA 7 2.104 -9.056 1.027 49 H THR 8 HN THR 8 0.206 -8.738 3.143 50 HA THR 8 HA THR 8 -0.058 -6.846 4.380 51 HB THR 8 HB THR 8 1.089 -5.523 1.916 52 HG1 THR 8 HG1 THR 8 2.296 -6.752 4.179 53 1HG2 THR 8 HG21 THR 8 0.085 -4.385 4.280 54 2HG2 THR 8 HG22 THR 8 1.055 -3.594 3.036 55 3HG2 THR 8 HG23 THR 8 1.843 -4.340 4.427 56 H ILE 9 HN ILE 9 -2.338 -6.916 4.421 57 HA ILE 9 HA ILE 9 -3.944 -5.715 2.399 58 HB ILE 9 HB ILE 9 -4.793 -6.164 5.254 59 1HG1 ILE 9 HG12 ILE 9 -4.855 -8.170 2.987 60 2HG1 ILE 9 HG11 ILE 9 -3.706 -8.207 4.320 61 1HG2 ILE 9 HG21 ILE 9 -6.697 -6.749 3.154 62 2HG2 ILE 9 HG22 ILE 9 -6.105 -5.091 3.059 63 3HG2 ILE 9 HG23 ILE 9 -6.848 -5.678 4.546 64 1HD1 ILE 9 HD11 ILE 9 -5.460 -8.617 5.895 65 2HD1 ILE 9 HD12 ILE 9 -5.603 -9.775 4.572 66 3HD1 ILE 9 HD13 ILE 9 -6.689 -8.388 4.651 67 H CYS 10 HN CYS 10 -4.555 -3.671 2.127 68 HA CYS 10 HA CYS 10 -3.811 -1.726 4.208 69 1HB CYS 10 HB2 CYS 10 -3.781 -1.600 1.215 70 2HB CYS 10 HB1 CYS 10 -3.978 -0.115 2.142 71 HA PRO 11 HA PRO 11 -8.021 -0.543 4.750 72 1HB PRO 11 HB2 PRO 11 -7.230 2.298 4.700 73 2HB PRO 11 HB1 PRO 11 -7.951 1.356 6.008 74 1HG PRO 11 HG2 PRO 11 -5.388 2.133 6.097 75 2HG PRO 11 HG1 PRO 11 -5.907 0.565 6.744 76 1HD PRO 11 HD2 PRO 11 -4.556 1.191 4.143 77 2HD PRO 11 HD1 PRO 11 -4.258 -0.148 5.273 78 H ASP 12 HN ASP 12 -9.759 -0.096 3.505 79 HA ASP 12 HA ASP 12 -9.484 0.321 0.754 80 1HB ASP 12 HB2 ASP 12 -12.077 1.086 1.271 81 2HB ASP 12 HB1 ASP 12 -11.538 -0.567 1.001 82 H GLY 13 HN GLY 13 -8.560 2.123 -0.021 83 1HA GLY 13 HA2 GLY 13 -9.554 4.425 -0.647 84 2HA GLY 13 HA1 GLY 13 -9.399 4.718 1.078 85 H THR 14 HN THR 14 -6.885 2.851 0.703 86 HA THR 14 HA THR 14 -5.088 5.079 0.016 87 HB THR 14 HB THR 14 -3.357 3.828 1.300 88 HG1 THR 14 HG1 THR 14 -4.523 2.211 2.800 89 1HG2 THR 14 HG21 THR 14 -5.216 5.515 2.246 90 2HG2 THR 14 HG22 THR 14 -3.965 4.796 3.261 91 3HG2 THR 14 HG23 THR 14 -5.585 4.098 3.230 92 H THR 15 HN THR 15 -3.026 4.489 -1.018 93 HA THR 15 HA THR 15 -3.408 2.282 -2.933 94 HB THR 15 HB THR 15 -3.340 4.426 -4.059 95 HG1 THR 15 HG1 THR 15 -2.148 3.517 -5.546 96 1HG2 THR 15 HG21 THR 15 -1.943 6.119 -3.560 97 2HG2 THR 15 HG22 THR 15 -0.549 5.049 -3.407 98 3HG2 THR 15 HG23 THR 15 -1.668 5.237 -2.057 99 H CYS 16 HN CYS 16 -1.723 0.873 -3.365 100 HA CYS 16 HA CYS 16 0.157 0.497 -1.231 101 1HB CYS 16 HB2 CYS 16 0.602 -1.077 -3.665 102 2HB CYS 16 HB1 CYS 16 0.341 -1.613 -2.010 103 H SER 17 HN SER 17 1.981 1.605 -1.072 104 HA SER 17 HA SER 17 3.447 2.254 -3.544 105 1HB SER 17 HB2 SER 17 2.351 4.174 -2.122 106 2HB SER 17 HB1 SER 17 3.749 3.924 -1.076 107 HG SER 17 HG SER 17 4.134 5.507 -2.693 108 H LEU 18 HN LEU 18 5.612 1.858 -3.593 109 HA LEU 18 HA LEU 18 6.665 0.250 -1.394 110 1HB LEU 18 HB2 LEU 18 7.137 0.427 -4.286 111 2HB LEU 18 HB1 LEU 18 8.595 0.226 -3.333 112 HG LEU 18 HG LEU 18 6.206 -1.620 -3.354 113 1HD1 LEU 18 HD11 LEU 18 7.773 -3.223 -4.326 114 2HD1 LEU 18 HD12 LEU 18 9.032 -1.988 -4.334 115 3HD1 LEU 18 HD13 LEU 18 7.599 -1.793 -5.343 116 1HD2 LEU 18 HD21 LEU 18 8.528 -1.379 -1.532 117 2HD2 LEU 18 HD22 LEU 18 8.069 -3.005 -2.041 118 3HD2 LEU 18 HD23 LEU 18 6.896 -1.974 -1.221 119 H SER 19 HN SER 19 8.083 1.014 0.014 120 HA SER 19 HA SER 19 8.961 3.712 -0.067 121 1HB SER 19 HB2 SER 19 8.709 1.770 1.892 122 2HB SER 19 HB1 SER 19 10.456 1.977 1.752 123 HG SER 19 HG SER 19 8.516 3.975 2.283 124 HA PRO 20 HA PRO 20 12.805 3.726 -2.216 125 1HB PRO 20 HB2 PRO 20 14.122 4.674 0.285 126 2HB PRO 20 HB1 PRO 20 14.149 5.375 -1.339 127 1HG PRO 20 HG2 PRO 20 12.669 6.473 0.572 128 2HG PRO 20 HG1 PRO 20 12.059 6.359 -1.090 129 1HD PRO 20 HD2 PRO 20 11.362 4.712 1.304 130 2HD PRO 20 HD1 PRO 20 10.320 5.287 -0.014 131 H TYR 21 HN TYR 21 12.434 1.925 0.667 132 HA TYR 21 HA TYR 21 14.978 0.524 0.234 133 1HB TYR 21 HB2 TYR 21 13.418 -0.236 2.600 134 2HB TYR 21 HB1 TYR 21 15.118 0.196 2.463 135 HD1 TYR 21 HD1 TYR 21 12.177 1.105 3.993 136 HD2 TYR 21 HD2 TYR 21 15.399 2.853 1.832 137 HE1 TYR 21 HE1 TYR 21 11.695 3.277 5.041 138 HE2 TYR 21 HE2 TYR 21 14.925 5.028 2.871 139 HH TYR 21 HH TYR 21 12.805 5.371 5.533 140 H GLY 22 HN GLY 22 11.525 0.152 0.149 141 1HA GLY 22 HA2 GLY 22 10.730 -1.599 -1.395 142 2HA GLY 22 HA1 GLY 22 11.908 -2.668 -0.648 143 H VAL 23 HN VAL 23 9.426 -0.446 0.623 144 HA VAL 23 HA VAL 23 8.299 -2.724 2.116 145 HB VAL 23 HB VAL 23 8.404 0.122 3.120 146 1HG1 VAL 23 HG11 VAL 23 8.044 -1.534 5.269 147 2HG1 VAL 23 HG12 VAL 23 7.099 -2.335 4.014 148 3HG1 VAL 23 HG13 VAL 23 6.764 -0.655 4.433 149 1HG2 VAL 23 HG21 VAL 23 10.587 -0.345 3.444 150 2HG2 VAL 23 HG22 VAL 23 10.343 -2.087 3.315 151 3HG2 VAL 23 HG23 VAL 23 9.977 -1.254 4.826 152 H TRP 24 HN TRP 24 6.186 -3.062 1.852 153 HA TRP 24 HA TRP 24 4.690 -1.313 0.107 154 1HB TRP 24 HB2 TRP 24 4.064 -3.955 1.423 155 2HB TRP 24 HB1 TRP 24 2.880 -3.069 0.467 156 HD1 TRP 24 HD1 TRP 24 5.550 -5.594 0.126 157 HE1 TRP 24 HE1 TRP 24 6.081 -6.018 -2.356 158 HE3 TRP 24 HE3 TRP 24 3.101 -1.601 -1.920 159 HZ2 TRP 24 HZ2 TRP 24 5.535 -4.818 -4.851 160 HZ3 TRP 24 HZ3 TRP 24 3.156 -1.310 -4.363 161 HH2 TRP 24 HH2 TRP 24 4.348 -2.886 -5.796 162 H TYR 25 HN TYR 25 4.107 0.552 1.121 163 HA TYR 25 HA TYR 25 2.532 0.271 3.596 164 1HB TYR 25 HB2 TYR 25 3.194 2.560 4.176 165 2HB TYR 25 HB1 TYR 25 4.605 1.528 3.969 166 HD1 TYR 25 HD1 TYR 25 2.666 4.299 2.526 167 HD2 TYR 25 HD2 TYR 25 6.184 1.926 2.191 168 HE1 TYR 25 HE1 TYR 25 3.600 5.919 0.930 169 HE2 TYR 25 HE2 TYR 25 7.124 3.540 0.593 170 HH TYR 25 HH TYR 25 6.554 5.282 -0.819 171 H CYS 26 HN CYS 26 0.670 1.592 3.833 172 HA CYS 26 HA CYS 26 -0.645 2.121 1.296 173 1HB CYS 26 HB2 CYS 26 -2.066 2.640 3.847 174 2HB CYS 26 HB1 CYS 26 -2.622 1.823 2.390 175 H SER 27 HN SER 27 -0.930 4.064 0.441 176 HA SER 27 HA SER 27 -0.468 6.426 2.143 177 1HB SER 27 HB2 SER 27 1.136 5.745 0.103 178 2HB SER 27 HB1 SER 27 -0.085 6.643 -0.799 179 HG SER 27 HG SER 27 0.360 8.445 0.391 180 HA PRO 28 HA PRO 28 -4.774 7.127 1.027 181 1HB PRO 28 HB2 PRO 28 -4.439 9.597 2.579 182 2HB PRO 28 HB1 PRO 28 -5.550 8.251 2.843 183 1HG PRO 28 HG2 PRO 28 -3.451 8.698 4.465 184 2HG PRO 28 HG1 PRO 28 -4.026 7.061 4.097 185 1HD PRO 28 HD2 PRO 28 -1.679 8.545 2.972 186 2HD PRO 28 HD1 PRO 28 -1.810 6.838 3.448 187 H PHE 29 HN PHE 29 -5.505 8.080 -0.746 188 HA PHE 29 HA PHE 29 -4.097 10.466 -1.745 189 1HB PHE 29 HB2 PHE 29 -5.047 9.728 -4.002 190 2HB PHE 29 HB1 PHE 29 -3.744 8.756 -3.331 191 HD1 PHE 29 HD1 PHE 29 -7.424 8.906 -3.741 192 HD2 PHE 29 HD2 PHE 29 -4.027 6.467 -2.949 193 HE1 PHE 29 HE1 PHE 29 -8.824 6.893 -3.955 194 HE2 PHE 29 HE2 PHE 29 -5.421 4.450 -3.163 195 HZ PHE 29 HZ PHE 29 -7.822 4.662 -3.667 196 H SER 30 HN SER 30 -5.642 11.632 -3.436 197 HA SER 30 HA SER 30 -8.358 11.816 -2.361 198 1HB SER 30 HB2 SER 30 -7.088 14.422 -2.953 199 2HB SER 30 HB1 SER 30 -8.224 13.982 -1.678 200 HG SER 30 HG SER 30 -5.995 14.506 -1.024 Start of MODEL 5 1 1H VAL 1 HT1 VAL 1 -11.067 -4.280 -0.243 2 2H VAL 1 HT2 VAL 1 -11.586 -4.241 1.366 3 3H VAL 1 HT3 VAL 1 -10.797 -5.611 0.766 4 HA VAL 1 HA VAL 1 -9.674 -2.948 1.357 5 HB VAL 1 HB VAL 1 -7.977 -4.321 2.577 6 1HG1 VAL 1 HG11 VAL 1 -10.338 -3.405 3.437 7 2HG1 VAL 1 HG12 VAL 1 -9.200 -4.257 4.481 8 3HG1 VAL 1 HG13 VAL 1 -10.561 -5.123 3.768 9 1HG2 VAL 1 HG21 VAL 1 -8.043 -6.435 1.594 10 2HG2 VAL 1 HG22 VAL 1 -9.801 -6.532 1.696 11 3HG2 VAL 1 HG23 VAL 1 -8.824 -6.681 3.156 12 H ILE 2 HN ILE 2 -7.093 -3.312 1.183 13 HA ILE 2 HA ILE 2 -6.643 -3.871 -1.661 14 HB ILE 2 HB ILE 2 -4.597 -2.535 0.057 15 1HG1 ILE 2 HG12 ILE 2 -6.713 -1.389 0.594 16 2HG1 ILE 2 HG11 ILE 2 -5.627 -0.352 -0.322 17 1HG2 ILE 2 HG21 ILE 2 -5.094 -2.975 -2.750 18 2HG2 ILE 2 HG22 ILE 2 -3.623 -2.440 -1.936 19 3HG2 ILE 2 HG23 ILE 2 -4.852 -1.263 -2.402 20 1HD1 ILE 2 HD11 ILE 2 -8.104 -1.746 -1.286 21 2HD1 ILE 2 HD12 ILE 2 -6.932 -1.000 -2.374 22 3HD1 ILE 2 HD13 ILE 2 -7.790 -0.013 -1.191 23 H HIS 3 HN HIS 3 -4.983 -5.192 -2.369 24 HA HIS 3 HA HIS 3 -3.513 -6.704 -0.325 25 1HB HIS 3 HB2 HIS 3 -5.206 -7.797 -2.555 26 2HB HIS 3 HB1 HIS 3 -3.858 -8.727 -1.911 27 HD1 HIS 3 HD1 HIS 3 -4.381 -10.155 0.049 28 HD2 HIS 3 HD2 HIS 3 -7.155 -7.100 -0.436 29 HE1 HIS 3 HE1 HIS 3 -6.152 -10.575 1.784 30 HE2 HIS 3 HE2 HIS 3 -7.840 -8.734 1.449 31 H CYS 4 HN CYS 4 -3.752 -5.548 -3.619 32 HA CYS 4 HA CYS 4 -2.225 -5.206 -5.265 33 1HB CYS 4 HB2 CYS 4 0.061 -5.194 -3.371 34 2HB CYS 4 HB1 CYS 4 -0.373 -4.035 -4.623 35 H ASP 5 HN ASP 5 0.313 -6.672 -3.368 36 HA ASP 5 HA ASP 5 0.548 -8.779 -5.376 37 1HB ASP 5 HB2 ASP 5 2.425 -7.194 -4.082 38 2HB ASP 5 HB1 ASP 5 2.578 -8.754 -3.278 39 H ALA 6 HN ALA 6 -1.560 -8.843 -3.365 40 HA ALA 6 HA ALA 6 -2.605 -10.328 -2.000 41 1HB ALA 6 HB1 ALA 6 -2.399 -12.518 -2.541 42 2HB ALA 6 HB2 ALA 6 -0.636 -12.486 -2.468 43 3HB ALA 6 HB3 ALA 6 -1.472 -11.849 -3.884 44 H ALA 7 HN ALA 7 0.004 -8.841 -1.215 45 HA ALA 7 HA ALA 7 0.247 -10.156 1.400 46 1HB ALA 7 HB1 ALA 7 2.395 -10.631 1.111 47 2HB ALA 7 HB2 ALA 7 2.743 -8.942 0.740 48 3HB ALA 7 HB3 ALA 7 2.287 -10.053 -0.552 49 H THR 8 HN THR 8 0.827 -8.748 3.130 50 HA THR 8 HA THR 8 0.590 -6.849 4.355 51 HB THR 8 HB THR 8 1.663 -5.533 1.854 52 HG1 THR 8 HG1 THR 8 3.636 -5.665 3.318 53 1HG2 THR 8 HG21 THR 8 0.681 -4.378 4.232 54 2HG2 THR 8 HG22 THR 8 1.576 -3.584 2.935 55 3HG2 THR 8 HG23 THR 8 2.441 -4.272 4.310 56 H ILE 9 HN ILE 9 -1.674 -6.959 4.468 57 HA ILE 9 HA ILE 9 -3.393 -5.856 2.496 58 HB ILE 9 HB ILE 9 -4.092 -6.190 5.407 59 1HG1 ILE 9 HG12 ILE 9 -4.480 -8.357 3.366 60 2HG1 ILE 9 HG11 ILE 9 -2.946 -8.216 4.218 61 1HG2 ILE 9 HG21 ILE 9 -5.534 -5.465 3.049 62 2HG2 ILE 9 HG22 ILE 9 -6.108 -5.574 4.713 63 3HG2 ILE 9 HG23 ILE 9 -6.159 -6.994 3.668 64 1HD1 ILE 9 HD11 ILE 9 -5.633 -8.950 5.261 65 2HD1 ILE 9 HD12 ILE 9 -4.457 -8.202 6.341 66 3HD1 ILE 9 HD13 ILE 9 -4.069 -9.718 5.529 67 H CYS 10 HN CYS 10 -4.523 -3.912 2.478 68 HA CYS 10 HA CYS 10 -3.728 -1.865 4.418 69 1HB CYS 10 HB2 CYS 10 -3.293 -1.810 1.459 70 2HB CYS 10 HB1 CYS 10 -3.673 -0.304 2.289 71 HA PRO 11 HA PRO 11 -7.970 -0.662 4.407 72 1HB PRO 11 HB2 PRO 11 -7.180 2.178 4.207 73 2HB PRO 11 HB1 PRO 11 -8.063 1.345 5.489 74 1HG PRO 11 HG2 PRO 11 -5.533 2.139 5.838 75 2HG PRO 11 HG1 PRO 11 -6.129 0.621 6.534 76 1HD PRO 11 HD2 PRO 11 -4.458 1.060 4.088 77 2HD PRO 11 HD1 PRO 11 -4.314 -0.192 5.339 78 H ASP 12 HN ASP 12 -9.614 -0.165 3.006 79 HA ASP 12 HA ASP 12 -9.079 -0.088 0.257 80 1HB ASP 12 HB2 ASP 12 -11.408 -0.004 -0.066 81 2HB ASP 12 HB1 ASP 12 -11.213 -0.852 1.465 82 H GLY 13 HN GLY 13 -9.244 2.434 2.586 83 1HA GLY 13 HA2 GLY 13 -9.759 4.527 0.644 84 2HA GLY 13 HA1 GLY 13 -9.439 4.747 2.358 85 H THR 14 HN THR 14 -7.202 2.713 0.800 86 HA THR 14 HA THR 14 -5.370 4.924 0.211 87 HB THR 14 HB THR 14 -3.523 3.771 1.402 88 HG1 THR 14 HG1 THR 14 -4.958 2.301 3.107 89 1HG2 THR 14 HG21 THR 14 -4.455 4.226 3.762 90 2HG2 THR 14 HG22 THR 14 -5.925 4.727 2.928 91 3HG2 THR 14 HG23 THR 14 -4.405 5.565 2.615 92 H THR 15 HN THR 15 -3.279 4.020 -0.779 93 HA THR 15 HA THR 15 -3.897 1.686 -2.469 94 HB THR 15 HB THR 15 -4.137 3.736 -3.800 95 HG1 THR 15 HG1 THR 15 -3.406 2.235 -5.147 96 1HG2 THR 15 HG21 THR 15 -1.298 4.402 -3.869 97 2HG2 THR 15 HG22 THR 15 -2.039 4.701 -2.297 98 3HG2 THR 15 HG23 THR 15 -2.705 5.459 -3.743 99 H CYS 16 HN CYS 16 -1.955 0.665 -3.424 100 HA CYS 16 HA CYS 16 0.031 0.249 -1.406 101 1HB CYS 16 HB2 CYS 16 0.509 -0.800 -4.133 102 2HB CYS 16 HB1 CYS 16 0.610 -1.616 -2.577 103 H SER 17 HN SER 17 1.812 1.397 -1.117 104 HA SER 17 HA SER 17 3.055 2.693 -3.449 105 1HB SER 17 HB2 SER 17 1.999 3.933 -1.049 106 2HB SER 17 HB1 SER 17 3.720 4.270 -1.234 107 HG SER 17 HG SER 17 2.935 5.777 -2.509 108 H LEU 18 HN LEU 18 5.188 2.342 -3.675 109 HA LEU 18 HA LEU 18 6.496 0.682 -1.670 110 1HB LEU 18 HB2 LEU 18 6.794 1.147 -4.546 111 2HB LEU 18 HB1 LEU 18 8.320 1.031 -3.692 112 HG LEU 18 HG LEU 18 6.142 -1.057 -3.776 113 1HD1 LEU 18 HD11 LEU 18 8.774 -1.892 -4.576 114 2HD1 LEU 18 HD12 LEU 18 8.246 -0.505 -5.529 115 3HD1 LEU 18 HD13 LEU 18 7.254 -1.962 -5.468 116 1HD2 LEU 18 HD21 LEU 18 8.078 -2.381 -2.606 117 2HD2 LEU 18 HD22 LEU 18 6.965 -1.395 -1.657 118 3HD2 LEU 18 HD23 LEU 18 8.567 -0.776 -2.061 119 H SER 19 HN SER 19 7.892 1.437 -0.244 120 HA SER 19 HA SER 19 8.649 4.213 -0.253 121 1HB SER 19 HB2 SER 19 8.360 2.194 1.694 122 2HB SER 19 HB1 SER 19 10.067 2.638 1.709 123 HG SER 19 HG SER 19 8.661 3.923 3.091 124 HA PRO 20 HA PRO 20 12.661 4.145 -2.091 125 1HB PRO 20 HB2 PRO 20 13.841 5.127 0.459 126 2HB PRO 20 HB1 PRO 20 13.945 5.811 -1.168 127 1HG PRO 20 HG2 PRO 20 12.385 6.930 0.672 128 2HG PRO 20 HG1 PRO 20 11.861 6.821 -1.019 129 1HD PRO 20 HD2 PRO 20 11.029 5.175 1.335 130 2HD PRO 20 HD1 PRO 20 10.056 5.772 -0.026 131 H TYR 21 HN TYR 21 12.040 2.408 0.780 132 HA TYR 21 HA TYR 21 14.538 0.877 0.470 133 1HB TYR 21 HB2 TYR 21 13.140 0.314 2.937 134 2HB TYR 21 HB1 TYR 21 14.784 0.893 2.697 135 HD1 TYR 21 HD1 TYR 21 15.019 3.449 2.178 136 HD2 TYR 21 HD2 TYR 21 11.594 1.686 3.984 137 HE1 TYR 21 HE1 TYR 21 14.377 5.641 3.086 138 HE2 TYR 21 HE2 TYR 21 10.944 3.873 4.900 139 HH TYR 21 HH TYR 21 13.048 6.632 4.740 140 H GLY 22 HN GLY 22 11.977 0.574 -1.007 141 1HA GLY 22 HA2 GLY 22 10.654 -1.131 -1.787 142 2HA GLY 22 HA1 GLY 22 11.863 -2.217 -1.120 143 H VAL 23 HN VAL 23 9.349 -0.031 0.165 144 HA VAL 23 HA VAL 23 8.395 -2.278 1.816 145 HB VAL 23 HB VAL 23 8.466 0.615 2.684 146 1HG1 VAL 23 HG11 VAL 23 8.078 -0.677 4.947 147 2HG1 VAL 23 HG12 VAL 23 7.382 -1.889 3.871 148 3HG1 VAL 23 HG13 VAL 23 6.728 -0.251 3.896 149 1HG2 VAL 23 HG21 VAL 23 10.405 -1.590 2.970 150 2HG2 VAL 23 HG22 VAL 23 10.079 -0.648 4.425 151 3HG2 VAL 23 HG23 VAL 23 10.660 0.155 2.966 152 H TRP 24 HN TRP 24 6.375 -2.804 1.369 153 HA TRP 24 HA TRP 24 4.692 -1.062 -0.198 154 1HB TRP 24 HB2 TRP 24 4.316 -3.840 0.923 155 2HB TRP 24 HB1 TRP 24 3.052 -2.993 0.039 156 HD1 TRP 24 HD1 TRP 24 5.949 -5.232 -0.490 157 HE1 TRP 24 HE1 TRP 24 6.476 -5.445 -3.000 158 HE3 TRP 24 HE3 TRP 24 3.081 -1.383 -2.249 159 HZ2 TRP 24 HZ2 TRP 24 5.767 -4.152 -5.408 160 HZ3 TRP 24 HZ3 TRP 24 3.061 -0.938 -4.669 161 HH2 TRP 24 HH2 TRP 24 4.376 -2.294 -6.214 162 H TYR 25 HN TYR 25 3.958 0.656 0.967 163 HA TYR 25 HA TYR 25 2.456 0.040 3.424 164 1HB TYR 25 HB2 TYR 25 2.949 2.305 4.209 165 2HB TYR 25 HB1 TYR 25 4.431 1.412 3.897 166 HD1 TYR 25 HD1 TYR 25 2.355 4.240 2.898 167 HD2 TYR 25 HD2 TYR 25 5.859 2.002 1.990 168 HE1 TYR 25 HE1 TYR 25 3.145 6.071 1.458 169 HE2 TYR 25 HE2 TYR 25 6.657 3.826 0.548 170 HH TYR 25 HH TYR 25 4.671 6.394 -0.440 171 H CYS 26 HN CYS 26 0.636 1.505 3.874 172 HA CYS 26 HA CYS 26 -0.925 1.894 1.460 173 1HB CYS 26 HB2 CYS 26 -2.070 2.636 4.088 174 2HB CYS 26 HB1 CYS 26 -2.767 1.685 2.781 175 H SER 27 HN SER 27 -1.327 3.786 0.516 176 HA SER 27 HA SER 27 -0.806 6.258 2.021 177 1HB SER 27 HB2 SER 27 0.828 5.342 0.000 178 2HB SER 27 HB1 SER 27 -0.250 6.449 -0.851 179 HG SER 27 HG SER 27 1.686 7.410 0.091 180 HA PRO 28 HA PRO 28 -5.043 6.945 0.682 181 1HB PRO 28 HB2 PRO 28 -4.529 9.646 1.777 182 2HB PRO 28 HB1 PRO 28 -5.796 8.487 2.191 183 1HG PRO 28 HG2 PRO 28 -3.762 8.959 3.856 184 2HG PRO 28 HG1 PRO 28 -4.440 7.330 3.669 185 1HD PRO 28 HD2 PRO 28 -1.930 8.484 2.514 186 2HD PRO 28 HD1 PRO 28 -2.217 6.870 3.198 187 H PHE 29 HN PHE 29 -5.981 7.933 -1.060 188 HA PHE 29 HA PHE 29 -4.248 9.712 -2.644 189 1HB PHE 29 HB2 PHE 29 -5.896 8.871 -4.532 190 2HB PHE 29 HB1 PHE 29 -4.501 7.912 -4.053 191 HD1 PHE 29 HD1 PHE 29 -8.079 8.363 -3.077 192 HD2 PHE 29 HD2 PHE 29 -4.834 5.679 -3.692 193 HE1 PHE 29 HE1 PHE 29 -9.561 6.463 -2.577 194 HE2 PHE 29 HE2 PHE 29 -6.310 3.774 -3.194 195 HZ PHE 29 HZ PHE 29 -8.676 4.165 -2.636 196 H SER 30 HN SER 30 -5.316 11.355 -3.932 197 HA SER 30 HA SER 30 -6.641 13.195 -4.106 198 1HB SER 30 HB2 SER 30 -8.498 10.916 -3.805 199 2HB SER 30 HB1 SER 30 -9.197 12.505 -3.498 200 HG SER 30 HG SER 30 -9.403 12.300 -5.637 Start of MODEL 6 1 1H VAL 1 HT1 VAL 1 -11.318 4.935 -0.185 2 2H VAL 1 HT2 VAL 1 -11.888 3.375 0.131 3 3H VAL 1 HT3 VAL 1 -12.020 4.022 -1.425 4 HA VAL 1 HA VAL 1 -10.201 2.361 -1.113 5 HB VAL 1 HB VAL 1 -8.455 3.878 -2.228 6 1HG1 VAL 1 HG11 VAL 1 -9.396 3.059 -4.061 7 2HG1 VAL 1 HG12 VAL 1 -10.666 4.280 -3.979 8 3HG1 VAL 1 HG13 VAL 1 -10.871 2.737 -3.149 9 1HG2 VAL 1 HG21 VAL 1 -9.304 6.036 -3.034 10 2HG2 VAL 1 HG22 VAL 1 -9.196 5.991 -1.275 11 3HG2 VAL 1 HG23 VAL 1 -10.762 5.817 -2.067 12 H ILE 2 HN ILE 2 -7.603 2.941 -0.920 13 HA ILE 2 HA ILE 2 -7.270 3.524 1.940 14 HB ILE 2 HB ILE 2 -5.096 2.298 0.304 15 1HG1 ILE 2 HG12 ILE 2 -7.105 1.024 -0.321 16 2HG1 ILE 2 HG11 ILE 2 -6.013 0.055 0.661 17 1HG2 ILE 2 HG21 ILE 2 -6.017 2.074 3.159 18 2HG2 ILE 2 HG22 ILE 2 -4.539 2.819 2.552 19 3HG2 ILE 2 HG23 ILE 2 -4.744 1.070 2.465 20 1HD1 ILE 2 HD11 ILE 2 -8.387 -0.242 1.242 21 2HD1 ILE 2 HD12 ILE 2 -8.461 1.459 1.703 22 3HD1 ILE 2 HD13 ILE 2 -7.416 0.349 2.590 23 H HIS 3 HN HIS 3 -5.320 4.672 2.613 24 HA HIS 3 HA HIS 3 -4.174 6.432 0.567 25 1HB HIS 3 HB2 HIS 3 -5.785 7.231 2.930 26 2HB HIS 3 HB1 HIS 3 -4.355 8.198 2.582 27 HD1 HIS 3 HD1 HIS 3 -4.290 9.271 0.107 28 HD2 HIS 3 HD2 HIS 3 -7.963 7.815 1.396 29 HE1 HIS 3 HE1 HIS 3 -5.998 10.303 -1.425 30 HE2 HIS 3 HE2 HIS 3 -8.215 9.414 -0.621 31 H CYS 4 HN CYS 4 -4.029 5.973 4.102 32 HA CYS 4 HA CYS 4 -2.304 5.647 5.536 33 1HB CYS 4 HB2 CYS 4 -0.752 4.552 3.190 34 2HB CYS 4 HB1 CYS 4 -0.545 4.165 4.895 35 H ASP 5 HN ASP 5 -0.126 6.085 2.796 36 HA ASP 5 HA ASP 5 1.278 8.168 4.167 37 1HB ASP 5 HB2 ASP 5 2.080 6.359 2.376 38 2HB ASP 5 HB1 ASP 5 1.742 7.683 1.266 39 H ALA 6 HN ALA 6 -1.539 8.182 2.448 40 HA ALA 6 HA ALA 6 -2.834 9.784 1.488 41 1HB ALA 6 HB1 ALA 6 -1.619 10.929 3.698 42 2HB ALA 6 HB2 ALA 6 -3.016 11.556 2.822 43 3HB ALA 6 HB3 ALA 6 -1.394 12.119 2.415 44 H ALA 7 HN ALA 7 -0.267 8.910 0.163 45 HA ALA 7 HA ALA 7 -0.190 11.074 -1.823 46 1HB ALA 7 HB1 ALA 7 2.244 10.703 -2.103 47 2HB ALA 7 HB2 ALA 7 2.210 9.634 -0.700 48 3HB ALA 7 HB3 ALA 7 1.815 11.343 -0.517 49 H THR 8 HN THR 8 -0.218 7.727 -1.055 50 HA THR 8 HA THR 8 -0.314 7.082 -3.925 51 HB THR 8 HB THR 8 0.965 5.340 -1.807 52 HG1 THR 8 HG1 THR 8 1.983 7.235 -3.597 53 1HG2 THR 8 HG21 THR 8 -0.212 4.427 -4.016 54 2HG2 THR 8 HG22 THR 8 1.283 3.729 -3.393 55 3HG2 THR 8 HG23 THR 8 1.337 4.890 -4.719 56 H ILE 9 HN ILE 9 -2.533 6.964 -4.001 57 HA ILE 9 HA ILE 9 -4.157 5.691 -2.082 58 HB ILE 9 HB ILE 9 -4.863 5.956 -4.997 59 1HG1 ILE 9 HG12 ILE 9 -5.319 8.096 -2.923 60 2HG1 ILE 9 HG11 ILE 9 -3.876 8.077 -3.933 61 1HG2 ILE 9 HG21 ILE 9 -6.350 4.690 -3.411 62 2HG2 ILE 9 HG22 ILE 9 -7.112 6.044 -4.246 63 3HG2 ILE 9 HG23 ILE 9 -6.613 6.214 -2.563 64 1HD1 ILE 9 HD11 ILE 9 -6.264 7.790 -5.521 65 2HD1 ILE 9 HD12 ILE 9 -4.969 8.983 -5.630 66 3HD1 ILE 9 HD13 ILE 9 -6.318 9.243 -4.523 67 H CYS 10 HN CYS 10 -4.726 3.622 -1.782 68 HA CYS 10 HA CYS 10 -3.806 1.646 -3.765 69 1HB CYS 10 HB2 CYS 10 -3.622 1.680 -0.783 70 2HB CYS 10 HB1 CYS 10 -3.805 0.131 -1.599 71 HA PRO 11 HA PRO 11 -7.893 0.059 -4.216 72 1HB PRO 11 HB2 PRO 11 -6.755 -2.652 -3.765 73 2HB PRO 11 HB1 PRO 11 -7.705 -2.041 -5.125 74 1HG PRO 11 HG2 PRO 11 -5.090 -2.442 -5.384 75 2HG PRO 11 HG1 PRO 11 -5.867 -1.029 -6.123 76 1HD PRO 11 HD2 PRO 11 -4.216 -1.197 -3.634 77 2HD PRO 11 HD1 PRO 11 -4.240 0.059 -4.890 78 H ASP 12 HN ASP 12 -9.617 -0.443 -2.956 79 HA ASP 12 HA ASP 12 -9.421 -0.366 -0.183 80 1HB ASP 12 HB2 ASP 12 -11.440 0.085 -1.708 81 2HB ASP 12 HB1 ASP 12 -11.742 -1.645 -1.599 82 H GLY 13 HN GLY 13 -9.156 -3.044 -2.358 83 1HA GLY 13 HA2 GLY 13 -9.550 -5.001 -0.226 84 2HA GLY 13 HA1 GLY 13 -9.305 -5.355 -1.928 85 H THR 14 HN THR 14 -7.160 -3.104 -0.427 86 HA THR 14 HA THR 14 -5.148 -5.178 0.055 87 HB THR 14 HB THR 14 -3.425 -3.921 -1.167 88 HG1 THR 14 HG1 THR 14 -4.997 -1.934 -1.054 89 1HG2 THR 14 HG21 THR 14 -4.237 -5.639 -2.493 90 2HG2 THR 14 HG22 THR 14 -4.490 -4.231 -3.526 91 3HG2 THR 14 HG23 THR 14 -5.841 -4.918 -2.624 92 H THR 15 HN THR 15 -3.074 -4.078 0.947 93 HA THR 15 HA THR 15 -3.807 -1.833 2.707 94 HB THR 15 HB THR 15 -3.911 -3.863 4.055 95 HG1 THR 15 HG1 THR 15 -2.213 -3.238 5.582 96 1HG2 THR 15 HG21 THR 15 -2.575 -5.582 3.576 97 2HG2 THR 15 HG22 THR 15 -1.229 -4.668 4.254 98 3HG2 THR 15 HG23 THR 15 -1.578 -4.573 2.528 99 H CYS 16 HN CYS 16 -2.004 -0.556 3.460 100 HA CYS 16 HA CYS 16 -0.022 -0.191 1.434 101 1HB CYS 16 HB2 CYS 16 0.865 1.397 3.429 102 2HB CYS 16 HB1 CYS 16 -0.415 1.858 2.314 103 H SER 17 HN SER 17 1.829 -1.221 1.247 104 HA SER 17 HA SER 17 3.196 -2.160 3.676 105 1HB SER 17 HB2 SER 17 1.942 -3.985 2.312 106 2HB SER 17 HB1 SER 17 3.250 -3.784 1.145 107 HG SER 17 HG SER 17 4.650 -4.621 2.537 108 H LEU 18 HN LEU 18 5.358 -1.795 3.722 109 HA LEU 18 HA LEU 18 6.487 -0.398 1.407 110 1HB LEU 18 HB2 LEU 18 6.889 -0.261 4.318 111 2HB LEU 18 HB1 LEU 18 8.357 -0.144 3.369 112 HG LEU 18 HG LEU 18 5.946 1.656 3.114 113 1HD1 LEU 18 HD11 LEU 18 7.192 3.319 4.193 114 2HD1 LEU 18 HD12 LEU 18 8.697 2.413 4.043 115 3HD1 LEU 18 HD13 LEU 18 7.447 1.868 5.162 116 1HD2 LEU 18 HD21 LEU 18 6.746 1.871 1.014 117 2HD2 LEU 18 HD22 LEU 18 8.340 1.246 1.440 118 3HD2 LEU 18 HD23 LEU 18 7.924 2.922 1.799 119 H SER 19 HN SER 19 8.112 -1.190 0.238 120 HA SER 19 HA SER 19 8.923 -3.918 0.631 121 1HB SER 19 HB2 SER 19 9.807 -3.801 -1.517 122 2HB SER 19 HB1 SER 19 8.543 -2.572 -1.594 123 HG SER 19 HG SER 19 11.330 -2.210 -1.284 124 HA PRO 20 HA PRO 20 12.755 -3.521 2.785 125 1HB PRO 20 HB2 PRO 20 14.179 -4.868 0.554 126 2HB PRO 20 HB1 PRO 20 14.069 -5.323 2.258 127 1HG PRO 20 HG2 PRO 20 12.717 -6.675 0.409 128 2HG PRO 20 HG1 PRO 20 11.995 -6.331 1.992 129 1HD PRO 20 HD2 PRO 20 11.520 -4.985 -0.640 130 2HD PRO 20 HD1 PRO 20 10.353 -5.431 0.622 131 H TYR 21 HN TYR 21 12.339 -2.111 -0.259 132 HA TYR 21 HA TYR 21 14.858 -0.606 0.018 133 1HB TYR 21 HB2 TYR 21 13.613 -0.388 -2.603 134 2HB TYR 21 HB1 TYR 21 15.263 -0.829 -2.179 135 HD1 TYR 21 HD1 TYR 21 12.257 -1.969 -3.604 136 HD2 TYR 21 HD2 TYR 21 15.553 -3.285 -1.256 137 HE1 TYR 21 HE1 TYR 21 11.789 -4.292 -4.259 138 HE2 TYR 21 HE2 TYR 21 15.093 -5.611 -1.903 139 HH TYR 21 HH TYR 21 13.782 -6.979 -3.057 140 H GLY 22 HN GLY 22 12.064 -0.170 1.126 141 1HA GLY 22 HA2 GLY 22 10.780 1.661 1.638 142 2HA GLY 22 HA1 GLY 22 12.042 2.646 0.915 143 H VAL 23 HN VAL 23 9.865 0.201 -0.487 144 HA VAL 23 HA VAL 23 8.910 2.284 -2.342 145 HB VAL 23 HB VAL 23 9.150 -0.677 -2.901 146 1HG1 VAL 23 HG11 VAL 23 8.439 1.591 -4.759 147 2HG1 VAL 23 HG12 VAL 23 7.288 0.443 -4.073 148 3HG1 VAL 23 HG13 VAL 23 8.544 -0.120 -5.175 149 1HG2 VAL 23 HG21 VAL 23 10.765 0.632 -4.688 150 2HG2 VAL 23 HG22 VAL 23 11.311 -0.200 -3.231 151 3HG2 VAL 23 HG23 VAL 23 11.024 1.540 -3.199 152 H TRP 24 HN TRP 24 6.870 2.825 -1.987 153 HA TRP 24 HA TRP 24 5.135 1.291 -0.335 154 1HB TRP 24 HB2 TRP 24 4.755 3.770 -2.002 155 2HB TRP 24 HB1 TRP 24 3.414 3.021 -1.141 156 HD1 TRP 24 HD1 TRP 24 6.214 5.417 -0.662 157 HE1 TRP 24 HE1 TRP 24 6.381 6.107 1.812 158 HE3 TRP 24 HE3 TRP 24 3.097 1.911 1.372 159 HZ2 TRP 24 HZ2 TRP 24 5.331 5.273 4.297 160 HZ3 TRP 24 HZ3 TRP 24 2.734 1.926 3.806 161 HH2 TRP 24 HH2 TRP 24 3.828 3.573 5.236 162 H TYR 25 HN TYR 25 3.835 -0.316 -0.858 163 HA TYR 25 HA TYR 25 2.619 -0.446 -3.493 164 1HB TYR 25 HB2 TYR 25 3.341 -2.697 -3.970 165 2HB TYR 25 HB1 TYR 25 4.766 -1.707 -3.685 166 HD1 TYR 25 HD1 TYR 25 6.135 -2.040 -1.692 167 HD2 TYR 25 HD2 TYR 25 2.716 -4.463 -2.430 168 HE1 TYR 25 HE1 TYR 25 6.915 -3.647 -0.003 169 HE2 TYR 25 HE2 TYR 25 3.486 -6.074 -0.741 170 HH TYR 25 HH TYR 25 6.317 -5.432 1.256 171 H CYS 26 HN CYS 26 0.712 -1.655 -3.550 172 HA CYS 26 HA CYS 26 -0.466 -2.100 -0.927 173 1HB CYS 26 HB2 CYS 26 -2.078 -2.579 -3.364 174 2HB CYS 26 HB1 CYS 26 -2.490 -1.710 -1.889 175 H SER 27 HN SER 27 -0.671 -4.025 -0.031 176 HA SER 27 HA SER 27 -0.336 -6.413 -1.714 177 1HB SER 27 HB2 SER 27 1.384 -6.416 -0.094 178 2HB SER 27 HB1 SER 27 0.295 -5.877 1.183 179 HG SER 27 HG SER 27 -0.704 -7.904 1.118 180 HA PRO 28 HA PRO 28 -4.629 -7.185 -0.769 181 1HB PRO 28 HB2 PRO 28 -4.884 -9.540 -2.050 182 2HB PRO 28 HB1 PRO 28 -4.753 -8.007 -2.920 183 1HG PRO 28 HG2 PRO 28 -2.655 -10.074 -2.395 184 2HG PRO 28 HG1 PRO 28 -2.977 -9.156 -3.878 185 1HD PRO 28 HD2 PRO 28 -0.997 -8.521 -2.101 186 2HD PRO 28 HD1 PRO 28 -1.793 -7.333 -3.151 187 H PHE 29 HN PHE 29 -5.420 -7.918 1.093 188 HA PHE 29 HA PHE 29 -4.082 -10.164 2.417 189 1HB PHE 29 HB2 PHE 29 -5.576 -9.333 4.386 190 2HB PHE 29 HB1 PHE 29 -4.137 -8.423 3.946 191 HD1 PHE 29 HD1 PHE 29 -4.429 -6.169 4.146 192 HD2 PHE 29 HD2 PHE 29 -7.672 -8.530 2.725 193 HE1 PHE 29 HE1 PHE 29 -5.791 -4.138 3.891 194 HE2 PHE 29 HE2 PHE 29 -9.040 -6.502 2.465 195 HZ PHE 29 HZ PHE 29 -8.099 -4.302 3.049 196 H SER 30 HN SER 30 -6.898 -9.369 0.710 197 HA SER 30 HA SER 30 -8.508 -11.473 1.923 198 1HB SER 30 HB2 SER 30 -10.344 -10.568 0.804 199 2HB SER 30 HB1 SER 30 -9.356 -9.141 1.114 200 HG SER 30 HG SER 30 -10.167 -9.350 -1.078 Start of MODEL 7 1 1H VAL 1 HT1 VAL 1 10.564 5.272 -0.347 2 2H VAL 1 HT2 VAL 1 11.246 3.769 0.023 3 3H VAL 1 HT3 VAL 1 11.236 5.001 1.182 4 HA VAL 1 HA VAL 1 9.508 3.094 1.300 5 HB VAL 1 HB VAL 1 7.803 4.751 2.189 6 1HG1 VAL 1 HG11 VAL 1 8.984 5.054 4.154 7 2HG1 VAL 1 HG12 VAL 1 10.508 5.345 3.316 8 3HG1 VAL 1 HG13 VAL 1 9.847 3.713 3.403 9 1HG2 VAL 1 HG21 VAL 1 7.982 6.948 1.825 10 2HG2 VAL 1 HG22 VAL 1 9.125 6.527 0.550 11 3HG2 VAL 1 HG23 VAL 1 9.714 6.948 2.159 12 H ILE 2 HN ILE 2 6.878 3.744 1.082 13 HA ILE 2 HA ILE 2 6.449 3.914 -1.830 14 HB ILE 2 HB ILE 2 4.577 2.415 -0.037 15 1HG1 ILE 2 HG12 ILE 2 6.849 1.508 0.386 16 2HG1 ILE 2 HG11 ILE 2 5.792 0.348 -0.410 17 1HG2 ILE 2 HG21 ILE 2 3.535 2.065 -1.956 18 2HG2 ILE 2 HG22 ILE 2 4.956 1.224 -2.574 19 3HG2 ILE 2 HG23 ILE 2 4.786 2.963 -2.815 20 1HD1 ILE 2 HD11 ILE 2 7.851 2.023 -1.825 21 2HD1 ILE 2 HD12 ILE 2 6.885 0.716 -2.511 22 3HD1 ILE 2 HD13 ILE 2 8.100 0.364 -1.282 23 H HIS 3 HN HIS 3 5.681 5.924 -2.144 24 HA HIS 3 HA HIS 3 3.714 7.027 -0.285 25 1HB HIS 3 HB2 HIS 3 5.603 8.148 -2.271 26 2HB HIS 3 HB1 HIS 3 4.070 8.997 -2.102 27 HD1 HIS 3 HD1 HIS 3 3.581 10.097 0.220 28 HD2 HIS 3 HD2 HIS 3 7.375 8.446 -0.160 29 HE1 HIS 3 HE1 HIS 3 4.910 11.018 2.146 30 HE2 HIS 3 HE2 HIS 3 7.179 9.942 1.941 31 H CYS 4 HN CYS 4 2.119 5.415 -1.029 32 HA CYS 4 HA CYS 4 1.116 5.358 -3.654 33 1HB CYS 4 HB2 CYS 4 -0.581 4.829 -1.226 34 2HB CYS 4 HB1 CYS 4 -0.658 4.061 -2.809 35 H ASP 5 HN ASP 5 0.274 7.009 -4.720 36 HA ASP 5 HA ASP 5 -0.932 8.856 -5.256 37 1HB ASP 5 HB2 ASP 5 -2.638 7.245 -3.810 38 2HB ASP 5 HB1 ASP 5 -2.767 8.790 -2.974 39 H ALA 6 HN ALA 6 1.222 8.884 -3.084 40 HA ALA 6 HA ALA 6 2.253 10.396 -1.734 41 1HB ALA 6 HB1 ALA 6 1.766 12.822 -2.272 42 2HB ALA 6 HB2 ALA 6 0.609 12.225 -3.463 43 3HB ALA 6 HB3 ALA 6 2.319 11.820 -3.614 44 H ALA 7 HN ALA 7 -0.344 9.221 -0.879 45 HA ALA 7 HA ALA 7 -0.886 11.127 1.284 46 1HB ALA 7 HB1 ALA 7 -2.670 11.452 -0.319 47 2HB ALA 7 HB2 ALA 7 -3.298 10.661 1.127 48 3HB ALA 7 HB3 ALA 7 -3.002 9.720 -0.336 49 H THR 8 HN THR 8 0.046 8.102 0.399 50 HA THR 8 HA THR 8 -0.573 7.040 3.052 51 HB THR 8 HB THR 8 -1.021 5.392 0.560 52 HG1 THR 8 HG1 THR 8 -2.656 7.167 1.838 53 1HG2 THR 8 HG21 THR 8 -0.372 4.108 2.543 54 2HG2 THR 8 HG22 THR 8 -2.056 3.803 2.114 55 3HG2 THR 8 HG23 THR 8 -1.670 4.869 3.465 56 H ILE 9 HN ILE 9 1.411 6.762 3.859 57 HA ILE 9 HA ILE 9 3.625 5.961 2.174 58 HB ILE 9 HB ILE 9 3.735 6.208 5.169 59 1HG1 ILE 9 HG12 ILE 9 4.241 8.516 3.304 60 2HG1 ILE 9 HG11 ILE 9 2.637 8.220 3.967 61 1HG2 ILE 9 HG21 ILE 9 6.031 7.247 4.107 62 2HG2 ILE 9 HG22 ILE 9 5.641 5.958 2.969 63 3HG2 ILE 9 HG23 ILE 9 5.832 5.592 4.683 64 1HD1 ILE 9 HD11 ILE 9 4.955 8.374 5.823 65 2HD1 ILE 9 HD12 ILE 9 3.263 8.793 6.090 66 3HD1 ILE 9 HD13 ILE 9 4.296 9.859 5.138 67 H CYS 10 HN CYS 10 4.735 4.026 2.271 68 HA CYS 10 HA CYS 10 3.795 1.951 4.096 69 1HB CYS 10 HB2 CYS 10 3.494 1.901 1.117 70 2HB CYS 10 HB1 CYS 10 3.785 0.395 1.980 71 HA PRO 11 HA PRO 11 8.020 0.712 4.315 72 1HB PRO 11 HB2 PRO 11 7.138 -2.099 3.958 73 2HB PRO 11 HB1 PRO 11 8.058 -1.366 5.277 74 1HG PRO 11 HG2 PRO 11 5.497 -2.046 5.598 75 2HG PRO 11 HG1 PRO 11 6.158 -0.578 6.341 76 1HD PRO 11 HD2 PRO 11 4.441 -0.870 3.913 77 2HD PRO 11 HD1 PRO 11 4.407 0.378 5.176 78 H ASP 12 HN ASP 12 9.708 0.316 2.965 79 HA ASP 12 HA ASP 12 9.376 0.379 0.214 80 1HB ASP 12 HB2 ASP 12 11.858 -0.806 0.554 81 2HB ASP 12 HB1 ASP 12 11.530 0.921 0.512 82 H GLY 13 HN GLY 13 9.574 -2.358 2.374 83 1HA GLY 13 HA2 GLY 13 9.846 -4.272 0.215 84 2HA GLY 13 HA1 GLY 13 9.694 -4.641 1.924 85 H THR 14 HN THR 14 7.373 -2.512 0.462 86 HA THR 14 HA THR 14 5.468 -4.700 0.082 87 HB THR 14 HB THR 14 3.713 -3.542 1.360 88 HG1 THR 14 HG1 THR 14 4.374 -1.433 1.398 89 1HG2 THR 14 HG21 THR 14 5.942 -3.783 3.318 90 2HG2 THR 14 HG22 THR 14 5.516 -5.202 2.362 91 3HG2 THR 14 HG23 THR 14 4.304 -4.432 3.386 92 H THR 15 HN THR 15 3.416 -3.925 -0.930 93 HA THR 15 HA THR 15 3.889 -1.564 -2.633 94 HB THR 15 HB THR 15 4.184 -3.562 -3.990 95 HG1 THR 15 HG1 THR 15 2.935 -1.661 -4.775 96 1HG2 THR 15 HG21 THR 15 1.521 -4.582 -4.067 97 2HG2 THR 15 HG22 THR 15 2.077 -4.583 -2.393 98 3HG2 THR 15 HG23 THR 15 3.011 -5.420 -3.634 99 H CYS 16 HN CYS 16 1.863 -0.665 -3.579 100 HA CYS 16 HA CYS 16 -0.105 -0.359 -1.499 101 1HB CYS 16 HB2 CYS 16 -0.358 0.810 -4.254 102 2HB CYS 16 HB1 CYS 16 -0.929 1.461 -2.722 103 H SER 17 HN SER 17 -1.815 -1.612 -1.261 104 HA SER 17 HA SER 17 -3.046 -2.805 -3.657 105 1HB SER 17 HB2 SER 17 -3.083 -4.166 -0.972 106 2HB SER 17 HB1 SER 17 -3.384 -4.861 -2.565 107 HG SER 17 HG SER 17 -1.169 -5.001 -1.318 108 H LEU 18 HN LEU 18 -5.262 -2.753 -3.767 109 HA LEU 18 HA LEU 18 -6.564 -1.027 -1.808 110 1HB LEU 18 HB2 LEU 18 -6.989 -1.694 -4.638 111 2HB LEU 18 HB1 LEU 18 -8.461 -1.525 -3.701 112 HG LEU 18 HG LEU 18 -6.307 0.567 -4.021 113 1HD1 LEU 18 HD11 LEU 18 -7.864 1.765 -5.344 114 2HD1 LEU 18 HD12 LEU 18 -9.162 0.633 -4.963 115 3HD1 LEU 18 HD13 LEU 18 -7.816 0.120 -5.980 116 1HD2 LEU 18 HD21 LEU 18 -7.090 1.089 -1.938 117 2HD2 LEU 18 HD22 LEU 18 -8.671 0.364 -2.228 118 3HD2 LEU 18 HD23 LEU 18 -8.280 1.935 -2.928 119 H SER 19 HN SER 19 -8.050 -1.672 -0.404 120 HA SER 19 HA SER 19 -8.658 -4.509 -0.220 121 1HB SER 19 HB2 SER 19 -8.225 -2.465 1.650 122 2HB SER 19 HB1 SER 19 -9.942 -2.846 1.782 123 HG SER 19 HG SER 19 -8.496 -4.142 3.114 124 HA PRO 20 HA PRO 20 -12.795 -4.527 -1.766 125 1HB PRO 20 HB2 PRO 20 -13.797 -5.405 0.897 126 2HB PRO 20 HB1 PRO 20 -14.008 -6.154 -0.691 127 1HG PRO 20 HG2 PRO 20 -12.321 -7.200 1.074 128 2HG PRO 20 HG1 PRO 20 -11.903 -7.140 -0.649 129 1HD PRO 20 HD2 PRO 20 -10.959 -5.399 1.595 130 2HD PRO 20 HD1 PRO 20 -10.050 -6.050 0.215 131 H TYR 21 HN TYR 21 -11.957 -2.608 0.901 132 HA TYR 21 HA TYR 21 -14.496 -1.124 0.725 133 1HB TYR 21 HB2 TYR 21 -12.879 -0.453 3.043 134 2HB TYR 21 HB1 TYR 21 -14.559 -0.972 2.963 135 HD1 TYR 21 HD1 TYR 21 -11.302 -1.848 4.024 136 HD2 TYR 21 HD2 TYR 21 -14.938 -3.534 2.595 137 HE1 TYR 21 HE1 TYR 21 -10.669 -4.019 4.989 138 HE2 TYR 21 HE2 TYR 21 -14.315 -5.709 3.555 139 HH TYR 21 HH TYR 21 -11.452 -6.637 4.307 140 H GLY 22 HN GLY 22 -12.050 -0.900 -0.955 141 1HA GLY 22 HA2 GLY 22 -10.803 0.760 -1.931 142 2HA GLY 22 HA1 GLY 22 -11.974 1.878 -1.247 143 H VAL 23 HN VAL 23 -9.882 -0.266 0.604 144 HA VAL 23 HA VAL 23 -8.635 2.115 1.795 145 HB VAL 23 HB VAL 23 -8.806 -0.694 2.899 146 1HG1 VAL 23 HG11 VAL 23 -7.923 0.246 4.956 147 2HG1 VAL 23 HG12 VAL 23 -7.817 1.839 4.205 148 3HG1 VAL 23 HG13 VAL 23 -6.797 0.522 3.627 149 1HG2 VAL 23 HG21 VAL 23 -10.126 1.286 4.483 150 2HG2 VAL 23 HG22 VAL 23 -10.795 -0.161 3.729 151 3HG2 VAL 23 HG23 VAL 23 -10.737 1.355 2.830 152 H TRP 24 HN TRP 24 -6.576 2.536 1.387 153 HA TRP 24 HA TRP 24 -4.996 0.691 -0.171 154 1HB TRP 24 HB2 TRP 24 -4.590 3.506 0.805 155 2HB TRP 24 HB1 TRP 24 -3.268 2.599 0.077 156 HD1 TRP 24 HD1 TRP 24 -6.096 4.800 -0.815 157 HE1 TRP 24 HE1 TRP 24 -6.452 4.825 -3.364 158 HE3 TRP 24 HE3 TRP 24 -3.165 0.807 -2.085 159 HZ2 TRP 24 HZ2 TRP 24 -5.603 3.348 -5.615 160 HZ3 TRP 24 HZ3 TRP 24 -2.992 0.179 -4.458 161 HH2 TRP 24 HH2 TRP 24 -4.186 1.424 -6.185 162 H TYR 25 HN TYR 25 -3.935 -0.913 0.786 163 HA TYR 25 HA TYR 25 -2.536 -0.346 3.312 164 1HB TYR 25 HB2 TYR 25 -2.940 -2.665 4.015 165 2HB TYR 25 HB1 TYR 25 -4.454 -1.807 3.755 166 HD1 TYR 25 HD1 TYR 25 -5.837 -2.317 1.767 167 HD2 TYR 25 HD2 TYR 25 -2.342 -4.563 2.687 168 HE1 TYR 25 HE1 TYR 25 -6.588 -4.097 0.248 169 HE2 TYR 25 HE2 TYR 25 -3.084 -6.349 1.169 170 HH TYR 25 HH TYR 25 -5.506 -7.117 0.274 171 H CYS 26 HN CYS 26 -0.565 -1.506 3.652 172 HA CYS 26 HA CYS 26 0.880 -1.947 1.177 173 1HB CYS 26 HB2 CYS 26 2.255 -2.409 3.752 174 2HB CYS 26 HB1 CYS 26 2.767 -1.475 2.351 175 H SER 27 HN SER 27 1.392 -3.867 0.342 176 HA SER 27 HA SER 27 1.179 -6.247 2.055 177 1HB SER 27 HB2 SER 27 -0.842 -6.246 0.769 178 2HB SER 27 HB1 SER 27 0.035 -5.874 -0.714 179 HG SER 27 HG SER 27 -0.535 -8.109 -0.503 180 HA PRO 28 HA PRO 28 5.287 -6.875 0.404 181 1HB PRO 28 HB2 PRO 28 5.101 -9.534 1.637 182 2HB PRO 28 HB1 PRO 28 6.209 -8.208 1.998 183 1HG PRO 28 HG2 PRO 28 4.250 -8.920 3.696 184 2HG PRO 28 HG1 PRO 28 4.763 -7.233 3.508 185 1HD PRO 28 HD2 PRO 28 2.376 -8.628 2.349 186 2HD PRO 28 HD1 PRO 28 2.493 -7.007 3.069 187 H PHE 29 HN PHE 29 6.242 -8.027 -1.262 188 HA PHE 29 HA PHE 29 4.428 -9.776 -2.770 189 1HB PHE 29 HB2 PHE 29 6.421 -9.237 -4.523 190 2HB PHE 29 HB1 PHE 29 4.967 -8.260 -4.363 191 HD1 PHE 29 HD1 PHE 29 5.147 -5.999 -3.933 192 HD2 PHE 29 HD2 PHE 29 8.438 -8.550 -3.055 193 HE1 PHE 29 HE1 PHE 29 6.526 -4.032 -3.404 194 HE2 PHE 29 HE2 PHE 29 9.823 -6.588 -2.524 195 HZ PHE 29 HZ PHE 29 8.867 -4.324 -2.698 196 H SER 30 HN SER 30 7.346 -9.721 -0.999 197 HA SER 30 HA SER 30 8.912 -11.288 -0.498 198 1HB SER 30 HB2 SER 30 7.085 -12.698 0.164 199 2HB SER 30 HB1 SER 30 6.724 -13.112 -1.512 200 HG SER 30 HG SER 30 8.187 -14.609 -1.424 Start of MODEL 8 1 1H VAL 1 HT1 VAL 1 11.704 3.936 1.321 2 2H VAL 1 HT2 VAL 1 11.016 4.964 0.167 3 3H VAL 1 HT3 VAL 1 11.302 3.340 -0.211 4 HA VAL 1 HA VAL 1 9.675 2.609 1.364 5 HB VAL 1 HB VAL 1 8.188 4.417 2.392 6 1HG1 VAL 1 HG11 VAL 1 10.427 3.105 3.326 7 2HG1 VAL 1 HG12 VAL 1 9.251 3.982 4.305 8 3HG1 VAL 1 HG13 VAL 1 10.724 4.787 3.765 9 1HG2 VAL 1 HG21 VAL 1 8.918 6.330 1.142 10 2HG2 VAL 1 HG22 VAL 1 10.586 6.094 1.663 11 3HG2 VAL 1 HG23 VAL 1 9.357 6.574 2.833 12 H ILE 2 HN ILE 2 7.406 2.505 0.875 13 HA ILE 2 HA ILE 2 6.857 3.366 -1.853 14 HB ILE 2 HB ILE 2 4.999 1.673 -0.221 15 1HG1 ILE 2 HG12 ILE 2 7.213 0.679 0.108 16 2HG1 ILE 2 HG11 ILE 2 6.230 -0.337 -0.940 17 1HG2 ILE 2 HG21 ILE 2 5.634 1.994 -3.133 18 2HG2 ILE 2 HG22 ILE 2 4.098 2.238 -2.303 19 3HG2 ILE 2 HG23 ILE 2 4.733 0.607 -2.521 20 1HD1 ILE 2 HD11 ILE 2 7.532 0.056 -2.768 21 2HD1 ILE 2 HD12 ILE 2 8.741 0.187 -1.492 22 3HD1 ILE 2 HD13 ILE 2 8.046 1.645 -2.201 23 H HIS 3 HN HIS 3 5.480 4.956 -2.373 24 HA HIS 3 HA HIS 3 3.701 5.998 -0.264 25 1HB HIS 3 HB2 HIS 3 5.380 7.469 -2.284 26 2HB HIS 3 HB1 HIS 3 3.980 8.226 -1.532 27 HD1 HIS 3 HD1 HIS 3 4.616 9.617 0.395 28 HD2 HIS 3 HD2 HIS 3 7.146 6.349 -0.035 29 HE1 HIS 3 HE1 HIS 3 6.300 9.822 2.252 30 HE2 HIS 3 HE2 HIS 3 7.856 7.865 1.937 31 H CYS 4 HN CYS 4 4.173 5.638 -3.757 32 HA CYS 4 HA CYS 4 2.731 5.444 -5.497 33 1HB CYS 4 HB2 CYS 4 0.443 4.706 -3.749 34 2HB CYS 4 HB1 CYS 4 1.015 3.954 -5.235 35 H ASP 5 HN ASP 5 0.036 6.146 -3.363 36 HA ASP 5 HA ASP 5 -0.715 8.389 -5.002 37 1HB ASP 5 HB2 ASP 5 -2.120 6.573 -3.501 38 2HB ASP 5 HB1 ASP 5 -2.187 8.012 -2.488 39 H ALA 6 HN ALA 6 1.533 8.145 -2.691 40 HA ALA 6 HA ALA 6 2.619 9.593 -1.317 41 1HB ALA 6 HB1 ALA 6 2.076 12.107 -1.873 42 2HB ALA 6 HB2 ALA 6 1.292 11.392 -3.282 43 3HB ALA 6 HB3 ALA 6 3.007 11.107 -2.987 44 H ALA 7 HN ALA 7 -0.298 8.734 -0.790 45 HA ALA 7 HA ALA 7 -1.049 10.826 1.126 46 1HB ALA 7 HB1 ALA 7 -2.699 9.872 -0.575 47 2HB ALA 7 HB2 ALA 7 -3.230 9.963 1.104 48 3HB ALA 7 HB3 ALA 7 -2.707 8.421 0.427 49 H THR 8 HN THR 8 -0.192 7.427 0.882 50 HA THR 8 HA THR 8 0.057 7.341 3.817 51 HB THR 8 HB THR 8 -1.843 5.940 3.005 52 HG1 THR 8 HG1 THR 8 -0.610 3.883 3.929 53 1HG2 THR 8 HG21 THR 8 0.350 4.370 1.646 54 2HG2 THR 8 HG22 THR 8 -0.934 5.275 0.843 55 3HG2 THR 8 HG23 THR 8 -1.329 3.853 1.809 56 H ILE 9 HN ILE 9 1.685 5.818 4.609 57 HA ILE 9 HA ILE 9 3.928 5.576 2.716 58 HB ILE 9 HB ILE 9 4.065 5.748 5.730 59 1HG1 ILE 9 HG12 ILE 9 4.974 7.837 3.756 60 2HG1 ILE 9 HG11 ILE 9 3.342 7.836 4.417 61 1HG2 ILE 9 HG21 ILE 9 6.528 6.378 4.518 62 2HG2 ILE 9 HG22 ILE 9 5.956 4.891 3.761 63 3HG2 ILE 9 HG23 ILE 9 6.136 4.976 5.514 64 1HD1 ILE 9 HD11 ILE 9 4.507 9.317 5.771 65 2HD1 ILE 9 HD12 ILE 9 5.940 8.290 5.826 66 3HD1 ILE 9 HD13 ILE 9 4.486 7.823 6.709 67 H CYS 10 HN CYS 10 5.041 3.668 2.546 68 HA CYS 10 HA CYS 10 4.089 1.387 4.133 69 1HB CYS 10 HB2 CYS 10 4.254 1.605 1.134 70 2HB CYS 10 HB1 CYS 10 4.293 0.044 1.947 71 HA PRO 11 HA PRO 11 8.383 0.383 4.427 72 1HB PRO 11 HB2 PRO 11 8.338 -2.286 4.779 73 2HB PRO 11 HB1 PRO 11 7.734 -1.168 6.008 74 1HG PRO 11 HG2 PRO 11 6.213 -2.788 4.007 75 2HG PRO 11 HG1 PRO 11 5.841 -2.474 5.712 76 1HD PRO 11 HD2 PRO 11 4.674 -1.142 3.619 77 2HD PRO 11 HD1 PRO 11 4.849 -0.464 5.248 78 H ASP 12 HN ASP 12 10.089 -0.081 3.133 79 HA ASP 12 HA ASP 12 9.775 -0.475 0.405 80 1HB ASP 12 HB2 ASP 12 12.163 -0.915 2.197 81 2HB ASP 12 HB1 ASP 12 12.243 -1.050 0.444 82 H GLY 13 HN GLY 13 8.641 -2.225 -0.294 83 1HA GLY 13 HA2 GLY 13 9.511 -4.552 -1.050 84 2HA GLY 13 HA1 GLY 13 9.437 -4.884 0.674 85 H THR 14 HN THR 14 6.999 -2.813 0.241 86 HA THR 14 HA THR 14 5.064 -4.970 -0.293 87 HB THR 14 HB THR 14 3.454 -3.449 1.000 88 HG1 THR 14 HG1 THR 14 4.745 -1.581 1.068 89 1HG2 THR 14 HG21 THR 14 5.454 -4.261 2.977 90 2HG2 THR 14 HG22 THR 14 5.067 -5.513 1.797 91 3HG2 THR 14 HG23 THR 14 3.785 -4.791 2.771 92 H THR 15 HN THR 15 3.182 -4.470 -1.500 93 HA THR 15 HA THR 15 3.561 -2.194 -3.321 94 HB THR 15 HB THR 15 3.500 -4.381 -4.418 95 HG1 THR 15 HG1 THR 15 2.660 -2.820 -5.714 96 1HG2 THR 15 HG21 THR 15 1.119 -4.713 -2.725 97 2HG2 THR 15 HG22 THR 15 2.218 -5.923 -3.387 98 3HG2 THR 15 HG23 THR 15 0.926 -5.263 -4.390 99 H CYS 16 HN CYS 16 1.754 -0.921 -3.955 100 HA CYS 16 HA CYS 16 -0.059 -0.380 -1.798 101 1HB CYS 16 HB2 CYS 16 -0.753 0.947 -4.281 102 2HB CYS 16 HB1 CYS 16 -0.221 1.642 -2.754 103 H SER 17 HN SER 17 -1.808 -1.584 -1.450 104 HA SER 17 HA SER 17 -3.327 -2.522 -3.798 105 1HB SER 17 HB2 SER 17 -2.224 -4.024 -1.618 106 2HB SER 17 HB1 SER 17 -3.983 -4.134 -1.561 107 HG SER 17 HG SER 17 -3.885 -4.740 -3.806 108 H LEU 18 HN LEU 18 -5.527 -2.285 -3.791 109 HA LEU 18 HA LEU 18 -6.591 -0.510 -1.722 110 1HB LEU 18 HB2 LEU 18 -7.141 -0.962 -4.575 111 2HB LEU 18 HB1 LEU 18 -8.569 -0.717 -3.588 112 HG LEU 18 HG LEU 18 -6.234 1.192 -3.759 113 1HD1 LEU 18 HD11 LEU 18 -7.309 2.347 -5.365 114 2HD1 LEU 18 HD12 LEU 18 -8.906 1.967 -4.718 115 3HD1 LEU 18 HD13 LEU 18 -8.049 0.783 -5.706 116 1HD2 LEU 18 HD21 LEU 18 -8.867 1.316 -2.303 117 2HD2 LEU 18 HD22 LEU 18 -7.859 2.730 -2.612 118 3HD2 LEU 18 HD23 LEU 18 -7.244 1.409 -1.618 119 H SER 19 HN SER 19 -7.935 -1.210 -0.223 120 HA SER 19 HA SER 19 -8.764 -3.957 -0.166 121 1HB SER 19 HB2 SER 19 -8.911 -3.602 2.052 122 2HB SER 19 HB1 SER 19 -8.261 -1.993 1.739 123 HG SER 19 HG SER 19 -10.196 -1.846 2.896 124 HA PRO 20 HA PRO 20 -12.872 -3.902 -1.763 125 1HB PRO 20 HB2 PRO 20 -14.395 -4.699 0.446 126 2HB PRO 20 HB1 PRO 20 -13.626 -5.773 -0.727 127 1HG PRO 20 HG2 PRO 20 -12.705 -4.945 1.980 128 2HG PRO 20 HG1 PRO 20 -12.520 -6.502 1.156 129 1HD PRO 20 HD2 PRO 20 -10.478 -4.783 1.389 130 2HD PRO 20 HD1 PRO 20 -10.695 -5.775 -0.065 131 H TYR 21 HN TYR 21 -12.068 -1.999 0.954 132 HA TYR 21 HA TYR 21 -14.503 -0.381 0.592 133 1HB TYR 21 HB2 TYR 21 -12.967 0.044 3.067 134 2HB TYR 21 HB1 TYR 21 -14.704 -0.105 2.830 135 HD1 TYR 21 HD1 TYR 21 -15.413 -2.622 2.096 136 HD2 TYR 21 HD2 TYR 21 -11.973 -1.572 4.366 137 HE1 TYR 21 HE1 TYR 21 -15.348 -4.891 3.033 138 HE2 TYR 21 HE2 TYR 21 -11.899 -3.839 5.314 139 HH TYR 21 HH TYR 21 -13.388 -5.723 5.700 140 H GLY 22 HN GLY 22 -12.012 -0.222 -0.938 141 1HA GLY 22 HA2 GLY 22 -10.582 1.375 -1.760 142 2HA GLY 22 HA1 GLY 22 -11.718 2.544 -1.103 143 H VAL 23 HN VAL 23 -9.560 0.184 0.459 144 HA VAL 23 HA VAL 23 -8.407 2.419 1.996 145 HB VAL 23 HB VAL 23 -8.444 -0.475 2.846 146 1HG1 VAL 23 HG11 VAL 23 -7.237 0.177 4.598 147 2HG1 VAL 23 HG12 VAL 23 -8.329 1.523 4.927 148 3HG1 VAL 23 HG13 VAL 23 -7.008 1.721 3.776 149 1HG2 VAL 23 HG21 VAL 23 -10.325 0.011 4.253 150 2HG2 VAL 23 HG22 VAL 23 -10.741 0.457 2.598 151 3HG2 VAL 23 HG23 VAL 23 -10.310 1.706 3.766 152 H TRP 24 HN TRP 24 -6.409 2.925 1.424 153 HA TRP 24 HA TRP 24 -4.798 1.182 -0.180 154 1HB TRP 24 HB2 TRP 24 -4.267 3.880 1.068 155 2HB TRP 24 HB1 TRP 24 -3.089 3.029 0.074 156 HD1 TRP 24 HD1 TRP 24 -5.994 5.343 -0.169 157 HE1 TRP 24 HE1 TRP 24 -6.606 5.739 -2.639 158 HE3 TRP 24 HE3 TRP 24 -3.188 1.640 -2.305 159 HZ2 TRP 24 HZ2 TRP 24 -5.983 4.626 -5.158 160 HZ3 TRP 24 HZ3 TRP 24 -3.253 1.371 -4.749 161 HH2 TRP 24 HH2 TRP 24 -4.623 2.834 -6.145 162 H TYR 25 HN TYR 25 -3.952 -0.571 0.769 163 HA TYR 25 HA TYR 25 -2.416 -0.161 3.246 164 1HB TYR 25 HB2 TYR 25 -2.982 -2.426 3.948 165 2HB TYR 25 HB1 TYR 25 -4.445 -1.485 3.688 166 HD1 TYR 25 HD1 TYR 25 -2.462 -4.332 2.575 167 HD2 TYR 25 HD2 TYR 25 -5.897 -1.957 1.761 168 HE1 TYR 25 HE1 TYR 25 -3.313 -6.087 1.077 169 HE2 TYR 25 HE2 TYR 25 -6.757 -3.705 0.262 170 HH TYR 25 HH TYR 25 -5.689 -5.619 -1.140 171 H CYS 26 HN CYS 26 -0.565 -1.543 3.524 172 HA CYS 26 HA CYS 26 0.809 -1.984 1.007 173 1HB CYS 26 HB2 CYS 26 2.096 -2.575 3.633 174 2HB CYS 26 HB1 CYS 26 2.777 -1.832 2.189 175 H SER 27 HN SER 27 0.448 -3.858 0.024 176 HA SER 27 HA SER 27 0.056 -6.286 1.596 177 1HB SER 27 HB2 SER 27 -1.536 -6.425 -0.031 178 2HB SER 27 HB1 SER 27 -0.624 -5.418 -1.154 179 HG SER 27 HG SER 27 -0.227 -7.260 -2.092 180 HA PRO 28 HA PRO 28 4.399 -7.195 0.875 181 1HB PRO 28 HB2 PRO 28 4.472 -9.510 2.277 182 2HB PRO 28 HB1 PRO 28 4.480 -7.921 3.051 183 1HG PRO 28 HG2 PRO 28 2.201 -9.819 2.644 184 2HG PRO 28 HG1 PRO 28 2.617 -8.863 4.078 185 1HD PRO 28 HD2 PRO 28 0.680 -8.122 2.328 186 2HD PRO 28 HD1 PRO 28 1.656 -6.949 3.235 187 H PHE 29 HN PHE 29 5.202 -8.081 -0.908 188 HA PHE 29 HA PHE 29 3.924 -10.512 -1.973 189 1HB PHE 29 HB2 PHE 29 4.598 -9.723 -4.228 190 2HB PHE 29 HB1 PHE 29 3.466 -8.636 -3.432 191 HD1 PHE 29 HD1 PHE 29 4.123 -6.430 -2.757 192 HD2 PHE 29 HD2 PHE 29 6.921 -9.075 -4.569 193 HE1 PHE 29 HE1 PHE 29 5.656 -4.544 -3.131 194 HE2 PHE 29 HE2 PHE 29 8.463 -7.194 -4.943 195 HZ PHE 29 HZ PHE 29 7.832 -4.925 -4.223 196 H SER 30 HN SER 30 6.829 -8.978 -0.983 197 HA SER 30 HA SER 30 8.538 -10.977 -2.234 198 1HB SER 30 HB2 SER 30 10.254 -9.566 -0.721 199 2HB SER 30 HB1 SER 30 9.728 -9.028 -2.316 200 HG SER 30 HG SER 30 8.713 -8.222 0.205 Start of MODEL 9 1 1H VAL 1 HT1 VAL 1 10.592 5.170 1.535 2 2H VAL 1 HT2 VAL 1 10.338 4.936 -0.121 3 3H VAL 1 HT3 VAL 1 10.976 3.685 0.821 4 HA VAL 1 HA VAL 1 8.986 2.931 1.312 5 HB VAL 1 HB VAL 1 7.278 4.419 2.384 6 1HG1 VAL 1 HG11 VAL 1 9.858 4.934 3.775 7 2HG1 VAL 1 HG12 VAL 1 9.370 3.264 3.488 8 3HG1 VAL 1 HG13 VAL 1 8.327 4.340 4.417 9 1HG2 VAL 1 HG21 VAL 1 7.440 6.652 2.422 10 2HG2 VAL 1 HG22 VAL 1 8.588 6.448 1.099 11 3HG2 VAL 1 HG23 VAL 1 9.171 6.615 2.755 12 H ILE 2 HN ILE 2 6.908 2.618 0.426 13 HA ILE 2 HA ILE 2 6.608 3.745 -2.220 14 HB ILE 2 HB ILE 2 4.710 1.819 -0.899 15 1HG1 ILE 2 HG12 ILE 2 6.974 0.913 -0.633 16 2HG1 ILE 2 HG11 ILE 2 6.066 -0.018 -1.819 17 1HG2 ILE 2 HG21 ILE 2 4.487 3.070 -3.250 18 2HG2 ILE 2 HG22 ILE 2 3.868 1.444 -2.961 19 3HG2 ILE 2 HG23 ILE 2 5.425 1.666 -3.758 20 1HD1 ILE 2 HD11 ILE 2 8.557 1.388 -2.104 21 2HD1 ILE 2 HD12 ILE 2 7.381 1.940 -3.296 22 3HD1 ILE 2 HD13 ILE 2 7.788 0.227 -3.187 23 H HIS 3 HN HIS 3 5.526 5.562 -2.565 24 HA HIS 3 HA HIS 3 3.548 6.470 -0.618 25 1HB HIS 3 HB2 HIS 3 5.357 7.755 -2.507 26 2HB HIS 3 HB1 HIS 3 3.723 8.406 -2.600 27 HD1 HIS 3 HD1 HIS 3 2.775 9.514 -0.404 28 HD2 HIS 3 HD2 HIS 3 6.798 8.484 -0.268 29 HE1 HIS 3 HE1 HIS 3 3.716 10.739 1.580 30 HE2 HIS 3 HE2 HIS 3 6.166 10.153 1.604 31 H CYS 4 HN CYS 4 3.823 5.941 -4.120 32 HA CYS 4 HA CYS 4 2.296 5.445 -5.723 33 1HB CYS 4 HB2 CYS 4 1.321 4.158 -3.339 34 2HB CYS 4 HB1 CYS 4 -0.035 4.711 -4.316 35 H ASP 5 HN ASP 5 -0.163 6.351 -3.352 36 HA ASP 5 HA ASP 5 -1.151 8.375 -5.177 37 1HB ASP 5 HB2 ASP 5 -3.074 8.508 -3.706 38 2HB ASP 5 HB1 ASP 5 -2.703 6.817 -4.026 39 H ALA 6 HN ALA 6 1.325 8.480 -3.216 40 HA ALA 6 HA ALA 6 2.443 10.066 -2.027 41 1HB ALA 6 HB1 ALA 6 1.003 11.447 -4.126 42 2HB ALA 6 HB2 ALA 6 2.645 11.694 -3.532 43 3HB ALA 6 HB3 ALA 6 1.289 12.486 -2.731 44 H ALA 7 HN ALA 7 0.007 8.911 -0.859 45 HA ALA 7 HA ALA 7 -0.458 10.983 1.166 46 1HB ALA 7 HB1 ALA 7 -2.592 11.219 0.611 47 2HB ALA 7 HB2 ALA 7 -2.857 9.505 0.933 48 3HB ALA 7 HB3 ALA 7 -2.405 10.039 -0.687 49 H THR 8 HN THR 8 -0.355 7.604 0.271 50 HA THR 8 HA THR 8 -0.412 6.866 3.124 51 HB THR 8 HB THR 8 -0.811 4.934 0.848 52 HG1 THR 8 HG1 THR 8 -3.087 5.237 1.281 53 1HG2 THR 8 HG21 THR 8 -1.149 4.894 3.811 54 2HG2 THR 8 HG22 THR 8 -0.469 3.670 2.739 55 3HG2 THR 8 HG23 THR 8 -2.216 3.898 2.820 56 H ILE 9 HN ILE 9 1.496 6.398 3.975 57 HA ILE 9 HA ILE 9 3.753 5.759 2.256 58 HB ILE 9 HB ILE 9 3.680 6.119 5.255 59 1HG1 ILE 9 HG12 ILE 9 5.035 8.250 4.005 60 2HG1 ILE 9 HG11 ILE 9 3.545 8.026 3.094 61 1HG2 ILE 9 HG21 ILE 9 6.121 6.453 5.005 62 2HG2 ILE 9 HG22 ILE 9 5.978 5.996 3.308 63 3HG2 ILE 9 HG23 ILE 9 5.594 4.826 4.571 64 1HD1 ILE 9 HD11 ILE 9 2.829 7.897 5.799 65 2HD1 ILE 9 HD12 ILE 9 2.489 9.187 4.645 66 3HD1 ILE 9 HD13 ILE 9 3.944 9.254 5.640 67 H CYS 10 HN CYS 10 4.888 3.849 2.276 68 HA CYS 10 HA CYS 10 3.529 1.600 3.584 69 1HB CYS 10 HB2 CYS 10 5.158 1.838 1.079 70 2HB CYS 10 HB1 CYS 10 4.999 0.277 1.880 71 HA PRO 11 HA PRO 11 6.983 0.844 6.238 72 1HB PRO 11 HB2 PRO 11 6.513 -2.027 6.058 73 2HB PRO 11 HB1 PRO 11 6.257 -0.944 7.428 74 1HG PRO 11 HG2 PRO 11 4.208 -2.076 6.087 75 2HG PRO 11 HG1 PRO 11 4.091 -0.457 6.802 76 1HD PRO 11 HD2 PRO 11 4.598 -1.236 3.950 77 2HD PRO 11 HD1 PRO 11 3.529 0.027 4.600 78 H ASP 12 HN ASP 12 7.284 0.447 3.148 79 HA ASP 12 HA ASP 12 9.011 0.002 1.739 80 1HB ASP 12 HB2 ASP 12 10.401 -0.433 4.361 81 2HB ASP 12 HB1 ASP 12 11.211 -0.768 2.834 82 H GLY 13 HN GLY 13 9.516 -1.710 0.472 83 1HA GLY 13 HA2 GLY 13 9.803 -3.915 -0.174 84 2HA GLY 13 HA1 GLY 13 9.718 -4.384 1.518 85 H THR 14 HN THR 14 7.199 -2.415 0.234 86 HA THR 14 HA THR 14 5.439 -4.764 -0.011 87 HB THR 14 HB THR 14 3.613 -3.438 1.012 88 HG1 THR 14 HG1 THR 14 5.577 -1.628 1.944 89 1HG2 THR 14 HG21 THR 14 6.060 -3.730 2.761 90 2HG2 THR 14 HG22 THR 14 4.886 -4.997 2.400 91 3HG2 THR 14 HG23 THR 14 4.396 -3.581 3.331 92 H THR 15 HN THR 15 3.241 -4.003 -0.997 93 HA THR 15 HA THR 15 3.760 -2.069 -3.156 94 HB THR 15 HB THR 15 3.939 -4.307 -4.114 95 HG1 THR 15 HG1 THR 15 2.719 -3.781 -5.809 96 1HG2 THR 15 HG21 THR 15 2.739 -5.811 -2.864 97 2HG2 THR 15 HG22 THR 15 1.610 -5.553 -4.194 98 3HG2 THR 15 HG23 THR 15 1.371 -4.716 -2.661 99 H CYS 16 HN CYS 16 1.911 -1.001 -4.001 100 HA CYS 16 HA CYS 16 -0.040 -0.377 -2.017 101 1HB CYS 16 HB2 CYS 16 -0.416 0.448 -4.860 102 2HB CYS 16 HB1 CYS 16 -0.661 1.372 -3.381 103 H SER 17 HN SER 17 -1.691 -1.650 -1.550 104 HA SER 17 HA SER 17 -3.170 -2.909 -3.761 105 1HB SER 17 HB2 SER 17 -3.416 -4.379 -1.270 106 2HB SER 17 HB1 SER 17 -2.953 -4.960 -2.869 107 HG SER 17 HG SER 17 -0.888 -4.720 -2.380 108 H LEU 18 HN LEU 18 -5.352 -2.717 -3.700 109 HA LEU 18 HA LEU 18 -6.448 -0.980 -1.634 110 1HB LEU 18 HB2 LEU 18 -7.151 -1.679 -4.406 111 2HB LEU 18 HB1 LEU 18 -8.519 -1.454 -3.333 112 HG LEU 18 HG LEU 18 -6.345 0.583 -3.833 113 1HD1 LEU 18 HD11 LEU 18 -7.556 1.401 -5.510 114 2HD1 LEU 18 HD12 LEU 18 -9.052 1.292 -4.581 115 3HD1 LEU 18 HD13 LEU 18 -8.462 -0.112 -5.472 116 1HD2 LEU 18 HD21 LEU 18 -8.548 1.831 -2.724 117 2HD2 LEU 18 HD22 LEU 18 -7.034 1.455 -1.901 118 3HD2 LEU 18 HD23 LEU 18 -8.397 0.340 -1.794 119 H SER 19 HN SER 19 -8.316 -1.464 -0.450 120 HA SER 19 HA SER 19 -8.627 -4.311 0.112 121 1HB SER 19 HB2 SER 19 -9.185 -3.709 2.244 122 2HB SER 19 HB1 SER 19 -8.342 -2.226 1.799 123 HG SER 19 HG SER 19 -11.095 -2.718 2.018 124 HA PRO 20 HA PRO 20 -12.595 -4.953 -1.707 125 1HB PRO 20 HB2 PRO 20 -13.674 -5.666 0.977 126 2HB PRO 20 HB1 PRO 20 -13.702 -6.589 -0.530 127 1HG PRO 20 HG2 PRO 20 -12.032 -7.258 1.424 128 2HG PRO 20 HG1 PRO 20 -11.514 -7.328 -0.272 129 1HD PRO 20 HD2 PRO 20 -10.892 -5.282 1.820 130 2HD PRO 20 HD1 PRO 20 -9.844 -5.956 0.555 131 H TYR 21 HN TYR 21 -12.226 -2.794 0.932 132 HA TYR 21 HA TYR 21 -14.899 -1.656 0.515 133 1HB TYR 21 HB2 TYR 21 -13.174 -0.520 2.629 134 2HB TYR 21 HB1 TYR 21 -14.881 -0.946 2.675 135 HD1 TYR 21 HD1 TYR 21 -15.109 -3.714 2.293 136 HD2 TYR 21 HD2 TYR 21 -11.942 -1.627 4.221 137 HE1 TYR 21 HE1 TYR 21 -14.560 -5.740 3.570 138 HE2 TYR 21 HE2 TYR 21 -11.386 -3.647 5.507 139 HH TYR 21 HH TYR 21 -12.298 -5.698 6.200 140 H GLY 22 HN GLY 22 -11.556 -1.105 -0.066 141 1HA GLY 22 HA2 GLY 22 -11.029 0.493 -1.841 142 2HA GLY 22 HA1 GLY 22 -12.213 1.574 -1.122 143 H VAL 23 HN VAL 23 -9.971 -0.258 0.828 144 HA VAL 23 HA VAL 23 -8.770 2.253 1.710 145 HB VAL 23 HB VAL 23 -8.534 -0.496 2.938 146 1HG1 VAL 23 HG11 VAL 23 -7.112 0.352 4.439 147 2HG1 VAL 23 HG12 VAL 23 -8.061 1.825 4.633 148 3HG1 VAL 23 HG13 VAL 23 -6.904 1.690 3.309 149 1HG2 VAL 23 HG21 VAL 23 -9.966 1.168 4.643 150 2HG2 VAL 23 HG22 VAL 23 -10.608 -0.158 3.674 151 3HG2 VAL 23 HG23 VAL 23 -10.633 1.489 3.042 152 H TRP 24 HN TRP 24 -6.616 2.695 1.563 153 HA TRP 24 HA TRP 24 -5.094 1.019 -0.272 154 1HB TRP 24 HB2 TRP 24 -4.848 3.846 0.693 155 2HB TRP 24 HB1 TRP 24 -3.460 3.044 -0.035 156 HD1 TRP 24 HD1 TRP 24 -6.450 5.008 -0.938 157 HE1 TRP 24 HE1 TRP 24 -6.831 4.957 -3.484 158 HE3 TRP 24 HE3 TRP 24 -3.248 1.215 -2.164 159 HZ2 TRP 24 HZ2 TRP 24 -5.897 3.500 -5.717 160 HZ3 TRP 24 HZ3 TRP 24 -3.050 0.554 -4.525 161 HH2 TRP 24 HH2 TRP 24 -4.348 1.674 -6.264 162 H TYR 25 HN TYR 25 -4.127 -0.638 0.745 163 HA TYR 25 HA TYR 25 -2.470 0.003 3.095 164 1HB TYR 25 HB2 TYR 25 -2.802 -2.285 3.887 165 2HB TYR 25 HB1 TYR 25 -4.348 -1.467 3.697 166 HD1 TYR 25 HD1 TYR 25 -5.903 -2.140 1.933 167 HD2 TYR 25 HD2 TYR 25 -2.191 -4.149 2.475 168 HE1 TYR 25 HE1 TYR 25 -6.709 -3.995 0.536 169 HE2 TYR 25 HE2 TYR 25 -2.987 -6.008 1.077 170 HH TYR 25 HH TYR 25 -5.370 -6.960 0.461 171 H CYS 26 HN CYS 26 -0.608 -1.606 3.349 172 HA CYS 26 HA CYS 26 0.595 -1.999 0.694 173 1HB CYS 26 HB2 CYS 26 2.072 -1.836 3.320 174 2HB CYS 26 HB1 CYS 26 2.740 -1.710 1.696 175 H SER 27 HN SER 27 1.400 -3.930 0.071 176 HA SER 27 HA SER 27 1.236 -6.155 1.996 177 1HB SER 27 HB2 SER 27 0.209 -5.983 -0.821 178 2HB SER 27 HB1 SER 27 0.699 -7.540 -0.155 179 HG SER 27 HG SER 27 -0.790 -7.162 1.561 180 HA PRO 28 HA PRO 28 5.558 -6.449 0.804 181 1HB PRO 28 HB2 PRO 28 5.506 -8.919 2.406 182 2HB PRO 28 HB1 PRO 28 6.480 -7.463 2.621 183 1HG PRO 28 HG2 PRO 28 4.466 -8.078 4.290 184 2HG PRO 28 HG1 PRO 28 4.856 -6.400 3.868 185 1HD PRO 28 HD2 PRO 28 2.664 -8.156 2.832 186 2HD PRO 28 HD1 PRO 28 2.620 -6.432 3.258 187 H PHE 29 HN PHE 29 6.497 -7.427 -0.897 188 HA PHE 29 HA PHE 29 5.319 -9.957 -1.844 189 1HB PHE 29 HB2 PHE 29 6.056 -9.203 -4.144 190 2HB PHE 29 HB1 PHE 29 4.729 -8.290 -3.435 191 HD1 PHE 29 HD1 PHE 29 8.309 -8.219 -4.282 192 HD2 PHE 29 HD2 PHE 29 4.956 -5.982 -2.916 193 HE1 PHE 29 HE1 PHE 29 9.559 -6.130 -4.645 194 HE2 PHE 29 HE2 PHE 29 6.199 -3.891 -3.276 195 HZ PHE 29 HZ PHE 29 8.503 -3.962 -4.141 196 H SER 30 HN SER 30 6.837 -11.203 -3.294 197 HA SER 30 HA SER 30 8.719 -12.461 -3.476 198 1HB SER 30 HB2 SER 30 9.440 -9.879 -4.037 199 2HB SER 30 HB1 SER 30 10.598 -10.311 -2.780 200 HG SER 30 HG SER 30 11.428 -11.851 -4.044 Start of MODEL 10 1 1H VAL 1 HT1 VAL 1 11.120 3.628 0.483 2 2H VAL 1 HT2 VAL 1 11.247 4.615 1.851 3 3H VAL 1 HT3 VAL 1 10.620 5.243 0.411 4 HA VAL 1 HA VAL 1 9.316 2.939 1.672 5 HB VAL 1 HB VAL 1 7.800 4.567 2.853 6 1HG1 VAL 1 HG11 VAL 1 9.108 4.621 4.806 7 2HG1 VAL 1 HG12 VAL 1 10.615 4.710 3.894 8 3HG1 VAL 1 HG13 VAL 1 9.677 3.216 3.906 9 1HG2 VAL 1 HG21 VAL 1 8.248 6.792 3.023 10 2HG2 VAL 1 HG22 VAL 1 8.955 6.495 1.435 11 3HG2 VAL 1 HG23 VAL 1 9.990 6.567 2.861 12 H ILE 2 HN ILE 2 7.276 2.590 0.844 13 HA ILE 2 HA ILE 2 6.760 3.750 -1.734 14 HB ILE 2 HB ILE 2 4.885 1.931 -0.244 15 1HG1 ILE 2 HG12 ILE 2 7.098 0.909 -0.113 16 2HG1 ILE 2 HG11 ILE 2 6.091 0.023 -1.251 17 1HG2 ILE 2 HG21 ILE 2 5.073 3.000 -2.925 18 2HG2 ILE 2 HG22 ILE 2 3.732 2.176 -2.129 19 3HG2 ILE 2 HG23 ILE 2 4.996 1.238 -2.925 20 1HD1 ILE 2 HD11 ILE 2 8.014 2.133 -2.160 21 2HD1 ILE 2 HD12 ILE 2 7.271 0.836 -3.097 22 3HD1 ILE 2 HD13 ILE 2 8.510 0.461 -1.899 23 H HIS 3 HN HIS 3 5.226 5.200 -2.310 24 HA HIS 3 HA HIS 3 3.521 6.281 -0.162 25 1HB HIS 3 HB2 HIS 3 5.300 7.629 -2.097 26 2HB HIS 3 HB1 HIS 3 3.716 8.369 -1.886 27 HD1 HIS 3 HD1 HIS 3 3.104 8.908 0.726 28 HD2 HIS 3 HD2 HIS 3 7.113 8.347 -0.212 29 HE1 HIS 3 HE1 HIS 3 4.389 9.924 2.633 30 HE2 HIS 3 HE2 HIS 3 6.815 9.599 2.032 31 H CYS 4 HN CYS 4 3.837 5.882 -3.674 32 HA CYS 4 HA CYS 4 2.321 5.542 -5.327 33 1HB CYS 4 HB2 CYS 4 1.424 4.019 -3.117 34 2HB CYS 4 HB1 CYS 4 -0.001 4.756 -3.840 35 H ASP 5 HN ASP 5 -0.216 6.257 -2.990 36 HA ASP 5 HA ASP 5 -1.270 8.319 -4.676 37 1HB ASP 5 HB2 ASP 5 -2.284 6.663 -2.669 38 2HB ASP 5 HB1 ASP 5 -2.378 8.286 -1.994 39 H ALA 6 HN ALA 6 1.288 8.347 -2.658 40 HA ALA 6 HA ALA 6 2.518 9.959 -1.630 41 1HB ALA 6 HB1 ALA 6 2.707 11.402 -3.347 42 2HB ALA 6 HB2 ALA 6 1.627 12.403 -2.376 43 3HB ALA 6 HB3 ALA 6 0.974 11.403 -3.674 44 H ALA 7 HN ALA 7 -0.103 9.014 -0.506 45 HA ALA 7 HA ALA 7 -0.544 11.238 1.379 46 1HB ALA 7 HB1 ALA 7 -2.428 10.183 -0.287 47 2HB ALA 7 HB2 ALA 7 -2.770 11.017 1.228 48 3HB ALA 7 HB3 ALA 7 -2.690 9.256 1.190 49 H THR 8 HN THR 8 -0.533 7.712 0.993 50 HA THR 8 HA THR 8 -0.145 7.429 3.892 51 HB THR 8 HB THR 8 -2.005 6.139 2.710 52 HG1 THR 8 HG1 THR 8 -0.059 5.116 4.438 53 1HG2 THR 8 HG21 THR 8 -0.631 5.486 0.739 54 2HG2 THR 8 HG22 THR 8 -1.413 4.119 1.533 55 3HG2 THR 8 HG23 THR 8 0.305 4.425 1.792 56 H ILE 9 HN ILE 9 1.513 6.044 4.695 57 HA ILE 9 HA ILE 9 3.780 5.759 2.834 58 HB ILE 9 HB ILE 9 3.997 5.894 5.837 59 1HG1 ILE 9 HG12 ILE 9 4.289 8.149 3.836 60 2HG1 ILE 9 HG11 ILE 9 2.974 7.975 4.993 61 1HG2 ILE 9 HG21 ILE 9 6.122 5.387 5.448 62 2HG2 ILE 9 HG22 ILE 9 6.284 6.862 4.495 63 3HG2 ILE 9 HG23 ILE 9 5.820 5.353 3.711 64 1HD1 ILE 9 HD11 ILE 9 5.660 7.959 6.166 65 2HD1 ILE 9 HD12 ILE 9 4.194 8.791 6.684 66 3HD1 ILE 9 HD13 ILE 9 5.184 9.471 5.392 67 H CYS 10 HN CYS 10 4.750 3.818 2.589 68 HA CYS 10 HA CYS 10 3.965 1.616 4.362 69 1HB CYS 10 HB2 CYS 10 3.611 1.788 1.389 70 2HB CYS 10 HB1 CYS 10 3.902 0.224 2.144 71 HA PRO 11 HA PRO 11 8.197 0.383 4.204 72 1HB PRO 11 HB2 PRO 11 8.075 -2.334 3.951 73 2HB PRO 11 HB1 PRO 11 7.742 -1.478 5.459 74 1HG PRO 11 HG2 PRO 11 5.832 -2.580 3.443 75 2HG PRO 11 HG1 PRO 11 5.737 -2.613 5.213 76 1HD PRO 11 HD2 PRO 11 4.327 -0.860 3.710 77 2HD PRO 11 HD1 PRO 11 4.921 -0.463 5.334 78 H ASP 12 HN ASP 12 9.858 -0.011 2.779 79 HA ASP 12 HA ASP 12 9.308 0.201 0.030 80 1HB ASP 12 HB2 ASP 12 11.402 0.949 1.245 81 2HB ASP 12 HB1 ASP 12 11.922 -0.734 1.209 82 H GLY 13 HN GLY 13 9.098 -2.484 2.004 83 1HA GLY 13 HA2 GLY 13 9.757 -4.345 -0.180 84 2HA GLY 13 HA1 GLY 13 9.623 -4.780 1.516 85 H THR 14 HN THR 14 7.250 -2.727 -0.013 86 HA THR 14 HA THR 14 5.410 -4.977 -0.351 87 HB THR 14 HB THR 14 3.596 -3.692 0.818 88 HG1 THR 14 HG1 THR 14 4.369 -2.087 2.330 89 1HG2 THR 14 HG21 THR 14 4.626 -5.576 1.928 90 2HG2 THR 14 HG22 THR 14 4.356 -4.290 3.104 91 3HG2 THR 14 HG23 THR 14 5.973 -4.570 2.460 92 H THR 15 HN THR 15 3.230 -4.088 -1.230 93 HA THR 15 HA THR 15 3.780 -1.918 -3.148 94 HB THR 15 HB THR 15 3.853 -4.090 -4.304 95 HG1 THR 15 HG1 THR 15 2.378 -1.995 -4.948 96 1HG2 THR 15 HG21 THR 15 0.991 -4.622 -4.130 97 2HG2 THR 15 HG22 THR 15 1.822 -4.818 -2.586 98 3HG2 THR 15 HG23 THR 15 2.357 -5.731 -3.998 99 H CYS 16 HN CYS 16 1.837 -0.848 -3.986 100 HA CYS 16 HA CYS 16 0.008 -0.258 -1.868 101 1HB CYS 16 HB2 CYS 16 -0.706 0.696 -4.558 102 2HB CYS 16 HB1 CYS 16 -0.497 1.597 -3.061 103 H SER 17 HN SER 17 -1.605 -1.580 -1.349 104 HA SER 17 HA SER 17 -3.060 -2.923 -3.534 105 1HB SER 17 HB2 SER 17 -1.720 -4.245 -1.655 106 2HB SER 17 HB1 SER 17 -3.205 -3.969 -0.744 107 HG SER 17 HG SER 17 -4.135 -5.446 -1.899 108 H LEU 18 HN LEU 18 -5.226 -2.691 -3.661 109 HA LEU 18 HA LEU 18 -6.466 -0.830 -1.771 110 1HB LEU 18 HB2 LEU 18 -6.804 -1.443 -4.616 111 2HB LEU 18 HB1 LEU 18 -8.318 -1.270 -3.750 112 HG LEU 18 HG LEU 18 -6.123 0.798 -3.888 113 1HD1 LEU 18 HD11 LEU 18 -7.838 0.194 -5.863 114 2HD1 LEU 18 HD12 LEU 18 -7.246 1.826 -5.550 115 3HD1 LEU 18 HD13 LEU 18 -8.824 1.328 -4.940 116 1HD2 LEU 18 HD21 LEU 18 -8.441 0.486 -2.142 117 2HD2 LEU 18 HD22 LEU 18 -8.390 2.037 -2.979 118 3HD2 LEU 18 HD23 LEU 18 -7.029 1.530 -1.978 119 H SER 19 HN SER 19 -7.852 -1.497 -0.295 120 HA SER 19 HA SER 19 -8.633 -4.268 -0.166 121 1HB SER 19 HB2 SER 19 -8.676 -3.835 2.036 122 2HB SER 19 HB1 SER 19 -8.259 -2.159 1.685 123 HG SER 19 HG SER 19 -10.794 -3.309 2.109 124 HA PRO 20 HA PRO 20 -12.725 -4.264 -1.814 125 1HB PRO 20 HB2 PRO 20 -14.270 -5.001 0.404 126 2HB PRO 20 HB1 PRO 20 -13.497 -6.105 -0.739 127 1HG PRO 20 HG2 PRO 20 -12.592 -5.219 1.955 128 2HG PRO 20 HG1 PRO 20 -12.401 -6.793 1.164 129 1HD PRO 20 HD2 PRO 20 -10.360 -5.070 1.376 130 2HD PRO 20 HD1 PRO 20 -10.568 -6.091 -0.059 131 H TYR 21 HN TYR 21 -11.956 -2.295 0.867 132 HA TYR 21 HA TYR 21 -14.388 -0.690 0.436 133 1HB TYR 21 HB2 TYR 21 -12.870 -0.185 2.906 134 2HB TYR 21 HB1 TYR 21 -14.605 -0.352 2.662 135 HD1 TYR 21 HD1 TYR 21 -11.895 -1.744 4.285 136 HD2 TYR 21 HD2 TYR 21 -15.277 -2.904 1.982 137 HE1 TYR 21 HE1 TYR 21 -11.818 -3.977 5.309 138 HE2 TYR 21 HE2 TYR 21 -15.210 -5.140 2.995 139 HH TYR 21 HH TYR 21 -12.751 -6.451 4.402 140 H GLY 22 HN GLY 22 -11.957 -0.550 -1.127 141 1HA GLY 22 HA2 GLY 22 -10.502 1.006 -1.983 142 2HA GLY 22 HA1 GLY 22 -11.639 2.197 -1.369 143 H VAL 23 HN VAL 23 -9.322 -0.079 0.111 144 HA VAL 23 HA VAL 23 -8.278 2.185 1.682 145 HB VAL 23 HB VAL 23 -8.254 -0.732 2.465 146 1HG1 VAL 23 HG11 VAL 23 -7.725 0.279 4.728 147 2HG1 VAL 23 HG12 VAL 23 -7.396 1.784 3.868 148 3HG1 VAL 23 HG13 VAL 23 -6.440 0.344 3.521 149 1HG2 VAL 23 HG21 VAL 23 -10.485 0.737 2.373 150 2HG2 VAL 23 HG22 VAL 23 -9.881 1.240 3.952 151 3HG2 VAL 23 HG23 VAL 23 -10.183 -0.467 3.626 152 H TRP 24 HN TRP 24 -6.248 2.748 1.301 153 HA TRP 24 HA TRP 24 -4.573 1.082 -0.379 154 1HB TRP 24 HB2 TRP 24 -4.210 3.857 0.766 155 2HB TRP 24 HB1 TRP 24 -2.987 3.046 -0.207 156 HD1 TRP 24 HD1 TRP 24 -5.948 5.241 -0.525 157 HE1 TRP 24 HE1 TRP 24 -6.625 5.482 -2.997 158 HE3 TRP 24 HE3 TRP 24 -3.121 1.473 -2.512 159 HZ2 TRP 24 HZ2 TRP 24 -6.036 4.239 -5.464 160 HZ3 TRP 24 HZ3 TRP 24 -3.234 1.064 -4.936 161 HH2 TRP 24 HH2 TRP 24 -4.663 2.419 -6.380 162 H TYR 25 HN TYR 25 -3.950 -0.652 0.871 163 HA TYR 25 HA TYR 25 -2.329 -0.007 3.243 164 1HB TYR 25 HB2 TYR 25 -2.829 -2.234 4.094 165 2HB TYR 25 HB1 TYR 25 -4.319 -1.361 3.759 166 HD1 TYR 25 HD1 TYR 25 -5.771 -2.041 1.906 167 HD2 TYR 25 HD2 TYR 25 -2.209 -4.186 2.815 168 HE1 TYR 25 HE1 TYR 25 -6.557 -3.920 0.530 169 HE2 TYR 25 HE2 TYR 25 -2.985 -6.070 1.439 170 HH TYR 25 HH TYR 25 -4.607 -6.869 0.155 171 H CYS 26 HN CYS 26 -0.512 -1.490 3.671 172 HA CYS 26 HA CYS 26 1.013 -1.881 1.241 173 1HB CYS 26 HB2 CYS 26 2.164 -2.695 3.849 174 2HB CYS 26 HB1 CYS 26 2.872 -1.741 2.550 175 H SER 27 HN SER 27 1.058 -3.726 0.168 176 HA SER 27 HA SER 27 0.438 -6.215 1.610 177 1HB SER 27 HB2 SER 27 -1.219 -6.006 -0.025 178 2HB SER 27 HB1 SER 27 -0.103 -5.322 -1.207 179 HG SER 27 HG SER 27 0.363 -7.922 -0.293 180 HA PRO 28 HA PRO 28 4.758 -7.116 0.735 181 1HB PRO 28 HB2 PRO 28 4.301 -9.602 2.186 182 2HB PRO 28 HB1 PRO 28 5.321 -8.231 2.625 183 1HG PRO 28 HG2 PRO 28 3.042 -8.857 3.957 184 2HG PRO 28 HG1 PRO 28 3.647 -7.197 3.807 185 1HD PRO 28 HD2 PRO 28 1.471 -8.570 2.271 186 2HD PRO 28 HD1 PRO 28 1.523 -6.914 2.918 187 H PHE 29 HN PHE 29 5.514 -8.028 -1.061 188 HA PHE 29 HA PHE 29 3.999 -10.218 -2.284 189 1HB PHE 29 HB2 PHE 29 5.589 -9.591 -4.268 190 2HB PHE 29 HB1 PHE 29 4.202 -8.574 -3.897 191 HD1 PHE 29 HD1 PHE 29 7.828 -8.909 -3.109 192 HD2 PHE 29 HD2 PHE 29 4.507 -6.305 -3.658 193 HE1 PHE 29 HE1 PHE 29 9.319 -6.965 -2.881 194 HE2 PHE 29 HE2 PHE 29 5.992 -4.356 -3.432 195 HZ PHE 29 HZ PHE 29 8.402 -4.685 -3.044 196 H SER 30 HN SER 30 6.550 -9.873 -0.284 197 HA SER 30 HA SER 30 7.584 -12.486 -0.934 198 1HB SER 30 HB2 SER 30 9.119 -10.003 -1.499 199 2HB SER 30 HB1 SER 30 10.001 -11.335 -0.752 200 HG SER 30 HG SER 30 8.434 -12.220 -2.765
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