NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
643126 | 6g4u | 34252 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HN PHE 1 0.280 0.644 0.985 2 HA PHE 1 HA PHE 1 0.582 2.873 0.016 3 HB2 PHE 1 HB1 PHE 1 2.517 0.734 -1.130 4 HB3 PHE 1 HB2 PHE 1 2.881 2.499 -0.977 5 HD1 PHE 1 HD1 PHE 1 2.706 3.534 1.392 6 HD2 PHE 1 HD2 PHE 1 2.978 -0.698 0.677 7 HE1 PHE 1 HE1 PHE 1 3.459 3.183 3.725 8 HE2 PHE 1 HE2 PHE 1 3.731 -1.041 3.011 9 HZ PHE 1 HZ PHE 1 3.966 0.898 4.536 10 H LEU 2 HN LEU 2 0.411 0.206 -2.328 11 HA LEU 2 HA LEU 2 0.381 1.835 -4.578 12 HB2 LEU 2 HB1 LEU 2 -0.108 -0.026 -5.932 13 HB3 LEU 2 HB2 LEU 2 1.116 -0.457 -4.711 14 HG LEU 2 HG LEU 2 -1.862 -1.215 -4.508 15 HD11 LEU 2 HD11 LEU 2 0.509 -2.866 -5.571 16 HD12 LEU 2 HD12 LEU 2 -0.846 -2.188 -6.553 17 HD13 LEU 2 HD13 LEU 2 -1.174 -3.459 -5.318 18 HD21 LEU 2 HD21 LEU 2 -0.714 -1.352 -2.281 19 HD22 LEU 2 HD22 LEU 2 0.638 -2.290 -3.029 20 HD23 LEU 2 HD23 LEU 2 -1.013 -2.996 -2.933 21 HA PRO 3 HA PRO 3 -4.230 1.708 -5.188 22 HB2 PRO 3 HB1 PRO 3 -6.036 1.869 -3.065 23 HB3 PRO 3 HB2 PRO 3 -5.431 0.305 -3.727 24 HG2 PRO 3 HG1 PRO 3 -4.344 1.831 -1.296 25 HG3 PRO 3 HG2 PRO 3 -4.804 0.085 -1.401 26 HD2 PRO 3 HD1 PRO 3 -2.195 0.914 -1.695 27 HD3 PRO 3 HD2 PRO 3 -2.863 -0.439 -2.718 28 H ILE 4 HN ILE 4 -3.221 3.557 -2.251 29 HA ILE 4 HA ILE 4 -4.551 5.922 -3.086 30 HB ILE 4 HB ILE 4 -3.163 7.111 -1.432 31 HG12 ILE 4 HG11 ILE 4 -1.987 4.322 -0.812 32 HG13 ILE 4 HG12 ILE 4 -1.087 5.671 -1.574 33 HG21 ILE 4 HG21 ILE 4 -4.541 4.520 -0.447 34 HG22 ILE 4 HG22 ILE 4 -4.334 6.051 0.473 35 HG23 ILE 4 HG23 ILE 4 -5.395 6.019 -0.974 36 HD11 ILE 4 HD1 ILE 4 -1.492 7.092 0.481 37 HD12 ILE 4 HD2 ILE 4 -2.285 5.680 1.272 38 HD13 ILE 4 HD3 ILE 4 -0.550 5.596 0.819 39 H LEU 5 HN LEU 5 -1.227 4.719 -3.652 40 HA LEU 5 HA LEU 5 -0.302 6.941 -5.073 41 HB2 LEU 5 HB1 LEU 5 0.993 5.026 -4.083 42 HB3 LEU 5 HB2 LEU 5 0.471 3.984 -5.430 43 HG LEU 5 HG LEU 5 1.975 6.635 -5.871 44 HD11 LEU 5 HD11 LEU 5 3.285 5.286 -4.243 45 HD12 LEU 5 HD12 LEU 5 4.113 5.349 -5.841 46 HD13 LEU 5 HD13 LEU 5 3.220 3.862 -5.347 47 HD21 LEU 5 HD21 LEU 5 1.804 4.038 -7.542 48 HD22 LEU 5 HD22 LEU 5 2.860 5.450 -7.922 49 HD23 LEU 5 HD23 LEU 5 1.074 5.633 -7.974 50 H ALA 6 HN ALA 6 -1.995 3.974 -6.289 51 HA ALA 6 HA ALA 6 -2.058 4.750 -8.977 52 HB1 ALA 6 HB1 ALA 6 -3.880 3.034 -9.157 53 HB2 ALA 6 HB2 ALA 6 -2.517 2.434 -8.140 54 HB3 ALA 6 HB3 ALA 6 -4.024 3.020 -7.357 55 H SER 7 HN SER 7 -4.446 5.386 -6.356 56 HA SER 7 HA SER 7 -6.299 6.745 -7.949 57 HB2 SER 7 HB1 SER 7 -6.691 5.907 -5.594 58 HB3 SER 7 HB2 SER 7 -5.727 7.279 -4.972 59 HG SER 7 HG1 SER 7 -7.294 8.661 -6.035 60 H LEU 8 HN LEU 8 -3.500 8.175 -6.081 61 HA LEU 8 HA LEU 8 -4.125 10.782 -7.035 62 HB2 LEU 8 HB1 LEU 8 -2.207 11.617 -5.959 63 HB3 LEU 8 HB2 LEU 8 -2.963 10.379 -4.920 64 HG LEU 8 HG LEU 8 -1.154 8.762 -6.034 65 HD11 LEU 8 HD11 LEU 8 1.041 9.915 -6.369 66 HD12 LEU 8 HD12 LEU 8 0.245 11.519 -6.193 67 HD13 LEU 8 HD13 LEU 8 -0.139 10.468 -7.608 68 HD21 LEU 8 HD21 LEU 8 0.343 9.251 -4.096 69 HD22 LEU 8 HD22 LEU 8 -1.392 9.255 -3.616 70 HD23 LEU 8 HD23 LEU 8 -0.509 10.816 -3.825 71 H ALA 9 HN ALA 9 -2.019 8.200 -8.324 72 HA ALA 9 HA ALA 9 -0.875 9.665 -10.389 73 HB1 ALA 9 HB1 ALA 9 -1.665 6.698 -10.267 74 HB2 ALA 9 HB2 ALA 9 -0.545 7.423 -11.477 75 HB3 ALA 9 HB3 ALA 9 -0.102 7.401 -9.728 76 H ALA 10 HN ALA 10 -4.000 7.828 -10.396 77 HA ALA 10 HA ALA 10 -4.744 8.570 -13.003 78 HB1 ALA 10 HB1 ALA 10 -5.790 6.711 -11.682 79 HB2 ALA 10 HB2 ALA 10 -6.460 7.914 -10.527 80 HB3 ALA 10 HB3 ALA 10 -7.038 7.887 -12.238 81 H LYS 11 HN LYS 11 -5.383 10.176 -9.867 82 HA LYS 11 HA LYS 11 -7.082 12.168 -10.796 83 HB2 LYS 11 HB1 LYS 11 -6.720 11.431 -8.425 84 HB3 LYS 11 HB2 LYS 11 -5.097 12.182 -8.454 85 HG2 LYS 11 HG1 LYS 11 -6.170 14.446 -8.769 86 HG3 LYS 11 HG2 LYS 11 -7.786 13.668 -8.714 87 HD2 LYS 11 HD1 LYS 11 -7.264 12.787 -6.415 88 HD3 LYS 11 HD2 LYS 11 -5.643 13.559 -6.497 89 HE2 LYS 11 HE1 LYS 11 -6.719 15.836 -6.622 90 HE3 LYS 11 HE2 LYS 11 -8.355 15.067 -6.538 91 HZ1 LYS 11 HZ1 LYS 11 -7.595 15.840 -4.378 92 HZ2 LYS 11 HZ2 LYS 11 -6.217 14.855 -4.468 93 HZ3 LYS 11 HZ3 LYS 11 -7.756 14.154 -4.387 94 H PHE 12 HN PHE 12 -3.501 12.376 -10.411 95 HA PHE 12 HA PHE 12 -3.460 14.446 -12.436 96 HB2 PHE 12 HB1 PHE 12 -2.309 16.188 -10.890 97 HB3 PHE 12 HB2 PHE 12 -4.080 15.973 -10.794 98 HD1 PHE 12 HD1 PHE 12 -4.428 16.904 -8.669 99 HD2 PHE 12 HD2 PHE 12 -1.526 13.755 -9.085 100 HE1 PHE 12 HE1 PHE 12 -4.195 16.780 -6.206 101 HE2 PHE 12 HE2 PHE 12 -1.325 13.614 -6.655 102 HZ PHE 12 HZ PHE 12 -2.647 15.114 -5.193 103 H GLY 13 HN GLY 13 -1.950 11.814 -11.260 104 HA2 GLY 13 HA1 GLY 13 0.767 12.832 -11.803 105 HA3 GLY 13 HA2 GLY 13 0.318 11.345 -10.948 106 HA PRO 14 HA PRO 14 -0.133 9.077 -14.580 107 HB2 PRO 14 HB1 PRO 14 -1.206 9.740 -17.070 108 HB3 PRO 14 HB2 PRO 14 -2.222 9.541 -15.591 109 HG2 PRO 14 HG1 PRO 14 -1.107 12.181 -16.703 110 HG3 PRO 14 HG2 PRO 14 -2.824 11.782 -16.273 111 HD2 PRO 14 HD1 PRO 14 -1.180 13.056 -14.460 112 HD3 PRO 14 HD2 PRO 14 -2.333 11.752 -13.925 113 H LYS 15 HN LYS 15 1.245 12.124 -15.565 114 HA LYS 15 HA LYS 15 2.835 11.180 -17.690 115 HB2 LYS 15 HB1 LYS 15 2.199 13.622 -16.755 116 HB3 LYS 15 HB2 LYS 15 3.779 13.502 -15.954 117 HG2 LYS 15 HG1 LYS 15 3.147 13.360 -18.985 118 HG3 LYS 15 HG2 LYS 15 3.828 14.734 -18.077 119 HD2 LYS 15 HD1 LYS 15 5.855 14.045 -18.779 120 HD3 LYS 15 HD2 LYS 15 5.734 12.882 -17.443 121 HE2 LYS 15 HE1 LYS 15 6.500 11.698 -19.458 122 HE3 LYS 15 HE2 LYS 15 4.821 11.139 -19.094 123 HZ1 LYS 15 HZ1 LYS 15 5.089 11.620 -21.422 124 HZ2 LYS 15 HZ2 LYS 15 5.598 13.207 -21.098 125 HZ3 LYS 15 HZ3 LYS 15 4.015 12.735 -20.732 126 H LEU 16 HN LEU 16 3.632 11.476 -14.155 127 HA LEU 16 HA LEU 16 6.201 10.255 -14.548 128 HB2 LEU 16 HB1 LEU 16 6.335 10.084 -12.097 129 HB3 LEU 16 HB2 LEU 16 6.143 11.742 -12.703 130 HG LEU 16 HG LEU 16 3.645 10.250 -11.794 131 HD11 LEU 16 HD11 LEU 16 4.066 10.953 -9.446 132 HD12 LEU 16 HD12 LEU 16 5.712 11.525 -9.900 133 HD13 LEU 16 HD13 LEU 16 5.303 9.772 -10.010 134 HD21 LEU 16 HD21 LEU 16 3.030 12.552 -10.982 135 HD22 LEU 16 HD22 LEU 16 3.393 12.578 -12.745 136 HD23 LEU 16 HD23 LEU 16 4.610 13.182 -11.556 137 H PHE 17 HN PHE 17 2.948 9.086 -13.587 138 HA PHE 17 HA PHE 17 3.750 6.529 -12.872 139 HB2 PHE 17 HB1 PHE 17 1.483 7.704 -12.500 140 HB3 PHE 17 HB2 PHE 17 1.066 7.285 -14.197 141 HD1 PHE 17 HD1 PHE 17 2.146 5.817 -10.896 142 HD2 PHE 17 HD2 PHE 17 0.173 5.133 -14.648 143 HE1 PHE 17 HE1 PHE 17 1.352 3.623 -10.076 144 HE2 PHE 17 HE2 PHE 17 -0.624 2.937 -13.828 145 HZ PHE 17 HZ PHE 17 -0.038 2.181 -11.537 146 H CYS 18 HN CYS 18 2.814 7.718 -16.161 147 HA CYS 18 HA CYS 18 3.065 5.203 -17.361 148 HB2 CYS 18 HB1 CYS 18 2.870 6.199 -19.484 149 HB3 CYS 18 HB2 CYS 18 1.806 7.093 -18.369 150 H LEU 19 HN LEU 19 5.659 7.681 -16.831 151 HA LEU 19 HA LEU 19 7.477 6.077 -18.374 152 HB2 LEU 19 HB1 LEU 19 9.230 7.570 -17.862 153 HB3 LEU 19 HB2 LEU 19 7.750 8.460 -18.307 154 HG LEU 19 HG LEU 19 7.437 8.590 -15.632 155 HD11 LEU 19 HD11 LEU 19 9.626 8.976 -14.496 156 HD12 LEU 19 HD12 LEU 19 10.511 8.502 -15.990 157 HD13 LEU 19 HD13 LEU 19 9.547 7.280 -15.087 158 HD21 LEU 19 HD21 LEU 19 8.527 10.829 -15.724 159 HD22 LEU 19 HD22 LEU 19 7.527 10.515 -17.192 160 HD23 LEU 19 HD23 LEU 19 9.331 10.384 -17.274 161 H VAL 20 HN VAL 20 6.905 6.365 -14.822 162 HA VAL 20 HA VAL 20 8.930 4.586 -14.079 163 HB VAL 20 HB VAL 20 6.308 5.358 -12.728 164 HG11 VAL 20 HG11 VAL 20 7.051 3.184 -11.727 165 HG12 VAL 20 HG12 VAL 20 8.743 3.797 -11.609 166 HG13 VAL 20 HG13 VAL 20 7.443 4.526 -10.603 167 HG21 VAL 20 HG21 VAL 20 7.847 6.810 -11.365 168 HG22 VAL 20 HG22 VAL 20 9.252 6.247 -12.336 169 HG23 VAL 20 HG23 VAL 20 7.959 7.240 -13.106 170 H THR 21 HN THR 21 5.497 3.882 -14.897 171 HA THR 21 HA THR 21 6.041 1.037 -14.421 172 HB THR 21 HB THR 21 3.707 0.603 -14.611 173 HG1 THR 21 HG1 THR 21 3.335 3.371 -15.028 174 HG21 THR 21 HG21 THR 21 4.592 1.497 -12.427 175 HG22 THR 21 HG22 THR 21 2.874 1.956 -12.716 176 HG23 THR 21 HG23 THR 21 4.176 3.170 -12.946 177 H LYS 22 HN LYS 22 7.054 2.669 -16.768 178 HA LYS 22 HA LYS 22 7.326 2.649 -18.909 179 HB2 LYS 22 HB1 LYS 22 8.815 0.945 -18.124 180 HB3 LYS 22 HB2 LYS 22 7.571 -0.314 -18.351 181 HG2 LYS 22 HG1 LYS 22 9.368 -0.309 -20.118 182 HG3 LYS 22 HG2 LYS 22 7.708 -0.188 -20.747 183 HD2 LYS 22 HD1 LYS 22 8.039 2.345 -20.979 184 HD3 LYS 22 HD2 LYS 22 9.769 2.094 -20.557 185 HE2 LYS 22 HE1 LYS 22 10.037 0.639 -22.599 186 HE3 LYS 22 HE2 LYS 22 8.260 0.744 -22.917 187 HZ1 LYS 22 HZ1 LYS 22 9.420 2.282 -24.298 188 HZ2 LYS 22 HZ2 LYS 22 10.201 3.004 -22.974 189 HZ3 LYS 22 HZ3 LYS 22 8.526 3.152 -23.157 190 H LYS 23 HN LYS 23 4.968 3.389 -19.001 191 HA LYS 23 HA LYS 23 3.745 1.876 -21.240 192 HB2 LYS 23 HB1 LYS 23 2.212 3.762 -19.381 193 HB3 LYS 23 HB2 LYS 23 1.578 2.560 -20.562 194 HG2 LYS 23 HG1 LYS 23 2.944 0.821 -19.132 195 HG3 LYS 23 HG2 LYS 23 2.976 2.099 -17.870 196 HD2 LYS 23 HD1 LYS 23 0.386 2.105 -18.001 197 HD3 LYS 23 HD2 LYS 23 0.524 0.667 -19.057 198 HE2 LYS 23 HE1 LYS 23 1.254 0.976 -16.079 199 HE3 LYS 23 HE2 LYS 23 0.187 -0.257 -16.855 200 HZ1 LYS 23 HZ1 LYS 23 2.249 -1.106 -17.965 201 HZ2 LYS 23 HZ2 LYS 23 2.287 -1.243 -16.266 202 HZ3 LYS 23 HZ3 LYS 23 3.157 -0.031 -17.048 203 H CYS 24 HN CYS 24 5.565 4.579 -20.479 204 HA CYS 24 HA CYS 24 4.563 6.112 -22.773 205 HB2 CYS 24 HB2 CYS 24 6.974 6.552 -20.933 206 HB3 CYS 24 HB1 CYS 24 6.583 7.591 -22.343 Start of MODEL 2 1 H1 PHE 1 HN PHE 1 0.162 -1.380 0.412 2 HA PHE 1 HA PHE 1 2.011 0.147 0.141 3 HB2 PHE 1 HB1 PHE 1 1.724 -1.803 -2.251 4 HB3 PHE 1 HB2 PHE 1 3.277 -1.049 -1.709 5 HD1 PHE 1 HD1 PHE 1 3.992 -1.442 0.739 6 HD2 PHE 1 HD2 PHE 1 1.028 -3.828 -1.259 7 HE1 PHE 1 HE1 PHE 1 4.317 -3.243 2.405 8 HE2 PHE 1 HE2 PHE 1 1.358 -5.632 0.410 9 HZ PHE 1 HZ PHE 1 3.002 -5.337 2.243 10 H LEU 2 HN LEU 2 -0.500 0.275 -2.178 11 HA LEU 2 HA LEU 2 0.426 2.870 -3.091 12 HB2 LEU 2 HB1 LEU 2 0.675 2.417 -5.406 13 HB3 LEU 2 HB2 LEU 2 1.667 1.231 -4.529 14 HG LEU 2 HG LEU 2 -1.118 0.636 -5.721 15 HD11 LEU 2 HD11 LEU 2 0.503 1.292 -7.483 16 HD12 LEU 2 HD12 LEU 2 0.111 -0.468 -7.576 17 HD13 LEU 2 HD13 LEU 2 1.681 0.070 -6.867 18 HD21 LEU 2 HD21 LEU 2 1.091 -1.252 -4.675 19 HD22 LEU 2 HD22 LEU 2 -0.381 -1.774 -5.574 20 HD23 LEU 2 HD23 LEU 2 -0.547 -1.018 -3.953 21 HA PRO 3 HA PRO 3 -4.073 2.054 -4.494 22 HB2 PRO 3 HB1 PRO 3 -5.888 2.316 -2.385 23 HB3 PRO 3 HB2 PRO 3 -5.135 0.744 -2.843 24 HG2 PRO 3 HG1 PRO 3 -4.203 2.670 -0.640 25 HG3 PRO 3 HG2 PRO 3 -4.493 0.891 -0.518 26 HD2 PRO 3 HD1 PRO 3 -1.960 1.919 -0.959 27 HD3 PRO 3 HD2 PRO 3 -2.509 0.384 -1.768 28 H ILE 4 HN ILE 4 -3.367 4.319 -1.774 29 HA ILE 4 HA ILE 4 -4.757 6.490 -2.911 30 HB ILE 4 HB ILE 4 -3.425 7.913 -1.382 31 HG12 ILE 4 HG11 ILE 4 -2.110 5.258 -0.494 32 HG13 ILE 4 HG12 ILE 4 -1.279 6.576 -1.390 33 HG21 ILE 4 HG21 ILE 4 -4.542 7.004 0.624 34 HG22 ILE 4 HG22 ILE 4 -5.601 6.771 -0.803 35 HG23 ILE 4 HG23 ILE 4 -4.678 5.377 -0.126 36 HD11 ILE 4 HD1 ILE 4 -2.480 6.797 1.445 37 HD12 ILE 4 HD2 ILE 4 -0.743 6.761 0.997 38 HD13 ILE 4 HD3 ILE 4 -1.763 8.163 0.517 39 H LEU 5 HN LEU 5 -1.431 5.349 -3.372 40 HA LEU 5 HA LEU 5 -0.498 7.529 -4.890 41 HB2 LEU 5 HB1 LEU 5 0.862 5.813 -3.690 42 HB3 LEU 5 HB2 LEU 5 0.410 4.591 -4.910 43 HG LEU 5 HG LEU 5 1.806 7.217 -5.685 44 HD11 LEU 5 HD11 LEU 5 3.137 6.199 -3.843 45 HD12 LEU 5 HD12 LEU 5 4.001 6.050 -5.415 46 HD13 LEU 5 HD13 LEU 5 3.159 4.620 -4.709 47 HD21 LEU 5 HD21 LEU 5 1.012 5.851 -7.627 48 HD22 LEU 5 HD22 LEU 5 1.813 4.386 -6.935 49 HD23 LEU 5 HD23 LEU 5 2.803 5.777 -7.511 50 H ALA 6 HN ALA 6 -2.006 4.407 -5.900 51 HA ALA 6 HA ALA 6 -1.986 4.922 -8.652 52 HB1 ALA 6 HB1 ALA 6 -3.941 3.269 -6.936 53 HB2 ALA 6 HB2 ALA 6 -3.731 3.114 -8.724 54 HB3 ALA 6 HB3 ALA 6 -2.383 2.677 -7.608 55 H SER 7 HN SER 7 -4.488 5.686 -6.186 56 HA SER 7 HA SER 7 -6.347 6.842 -7.948 57 HB2 SER 7 HB1 SER 7 -6.802 6.155 -5.572 58 HB3 SER 7 HB2 SER 7 -5.841 7.559 -5.001 59 HG SER 7 HG1 SER 7 -8.160 7.914 -5.131 60 H LEU 8 HN LEU 8 -3.734 8.538 -6.033 61 HA LEU 8 HA LEU 8 -4.358 11.013 -7.235 62 HB2 LEU 8 HB1 LEU 8 -2.525 12.008 -6.147 63 HB3 LEU 8 HB2 LEU 8 -3.279 10.816 -5.052 64 HG LEU 8 HG LEU 8 -1.361 9.204 -5.963 65 HD11 LEU 8 HD11 LEU 8 -0.336 10.824 -7.617 66 HD12 LEU 8 HD12 LEU 8 0.804 10.413 -6.289 67 HD13 LEU 8 HD13 LEU 8 -0.053 11.994 -6.271 68 HD21 LEU 8 HD21 LEU 8 -0.886 11.441 -3.890 69 HD22 LEU 8 HD22 LEU 8 0.030 9.894 -4.006 70 HD23 LEU 8 HD23 LEU 8 -1.724 9.870 -3.599 71 H ALA 9 HN ALA 9 -2.094 8.441 -8.251 72 HA ALA 9 HA ALA 9 -0.889 9.824 -10.337 73 HB1 ALA 9 HB1 ALA 9 -0.069 7.638 -9.498 74 HB2 ALA 9 HB2 ALA 9 -1.573 6.840 -10.071 75 HB3 ALA 9 HB3 ALA 9 -0.414 7.535 -11.265 76 H ALA 10 HN ALA 10 -3.963 7.878 -10.410 77 HA ALA 10 HA ALA 10 -4.519 8.455 -13.119 78 HB1 ALA 10 HB1 ALA 10 -6.843 7.726 -12.496 79 HB2 ALA 10 HB2 ALA 10 -5.603 6.620 -11.796 80 HB3 ALA 10 HB3 ALA 10 -6.396 7.846 -10.750 81 H LYS 11 HN LYS 11 -5.526 10.131 -10.120 82 HA LYS 11 HA LYS 11 -7.147 12.044 -11.320 83 HB2 LYS 11 HB1 LYS 11 -7.400 11.427 -9.041 84 HB3 LYS 11 HB2 LYS 11 -5.709 11.808 -8.651 85 HG2 LYS 11 HG1 LYS 11 -7.386 14.142 -9.610 86 HG3 LYS 11 HG2 LYS 11 -7.853 13.413 -8.043 87 HD2 LYS 11 HD1 LYS 11 -5.591 13.639 -7.138 88 HD3 LYS 11 HD2 LYS 11 -4.978 14.237 -8.714 89 HE2 LYS 11 HE1 LYS 11 -6.365 16.309 -8.517 90 HE3 LYS 11 HE2 LYS 11 -7.028 15.728 -6.934 91 HZ1 LYS 11 HZ1 LYS 11 -4.142 16.197 -7.533 92 HZ2 LYS 11 HZ2 LYS 11 -4.793 15.714 -6.053 93 HZ3 LYS 11 HZ3 LYS 11 -5.151 17.252 -6.673 94 H PHE 12 HN PHE 12 -3.620 12.398 -10.588 95 HA PHE 12 HA PHE 12 -3.564 14.360 -12.681 96 HB2 PHE 12 HB1 PHE 12 -2.863 16.349 -11.602 97 HB3 PHE 12 HB2 PHE 12 -4.405 15.837 -10.864 98 HD1 PHE 12 HD1 PHE 12 -2.792 17.947 -9.681 99 HD2 PHE 12 HD2 PHE 12 -2.446 13.695 -9.094 100 HE1 PHE 12 HE1 PHE 12 -1.792 18.324 -7.446 101 HE2 PHE 12 HE2 PHE 12 -1.471 14.079 -6.886 102 HZ PHE 12 HZ PHE 12 -1.136 16.386 -6.042 103 H GLY 13 HN GLY 13 -1.995 11.870 -11.412 104 HA2 GLY 13 HA1 GLY 13 0.693 12.968 -11.984 105 HA3 GLY 13 HA2 GLY 13 0.301 11.508 -11.052 106 HA PRO 14 HA PRO 14 -0.335 9.068 -14.498 107 HB2 PRO 14 HB1 PRO 14 -1.380 9.608 -17.038 108 HB3 PRO 14 HB2 PRO 14 -2.389 9.535 -15.544 109 HG2 PRO 14 HG1 PRO 14 -1.193 12.065 -16.815 110 HG3 PRO 14 HG2 PRO 14 -2.919 11.749 -16.353 111 HD2 PRO 14 HD1 PRO 14 -1.245 13.071 -14.612 112 HD3 PRO 14 HD2 PRO 14 -2.404 11.800 -14.009 113 H LYS 15 HN LYS 15 1.146 11.943 -15.956 114 HA LYS 15 HA LYS 15 2.665 10.509 -17.854 115 HB2 LYS 15 HB1 LYS 15 2.166 12.982 -17.933 116 HB3 LYS 15 HB2 LYS 15 3.337 13.227 -16.607 117 HG2 LYS 15 HG1 LYS 15 4.349 13.810 -18.745 118 HG3 LYS 15 HG2 LYS 15 5.184 12.366 -18.090 119 HD2 LYS 15 HD1 LYS 15 3.938 10.874 -19.606 120 HD3 LYS 15 HD2 LYS 15 2.940 12.219 -20.220 121 HE2 LYS 15 HE1 LYS 15 6.020 11.981 -20.567 122 HE3 LYS 15 HE2 LYS 15 4.802 11.435 -21.785 123 HZ1 LYS 15 HZ1 LYS 15 3.984 13.693 -21.924 124 HZ2 LYS 15 HZ2 LYS 15 5.635 13.631 -22.283 125 HZ3 LYS 15 HZ3 LYS 15 5.118 14.223 -20.781 126 H LEU 16 HN LEU 16 3.553 11.459 -14.467 127 HA LEU 16 HA LEU 16 6.134 10.258 -14.716 128 HB2 LEU 16 HB1 LEU 16 6.466 10.619 -12.368 129 HB3 LEU 16 HB2 LEU 16 5.813 12.067 -13.170 130 HG LEU 16 HG LEU 16 3.461 11.127 -12.260 131 HD11 LEU 16 HD11 LEU 16 4.412 9.025 -11.185 132 HD12 LEU 16 HD12 LEU 16 3.707 10.152 -9.972 133 HD13 LEU 16 HD13 LEU 16 5.490 10.060 -10.182 134 HD21 LEU 16 HD21 LEU 16 5.539 12.595 -10.523 135 HD22 LEU 16 HD22 LEU 16 3.756 12.604 -10.279 136 HD23 LEU 16 HD23 LEU 16 4.463 13.351 -11.758 137 H PHE 17 HN PHE 17 2.972 9.054 -13.548 138 HA PHE 17 HA PHE 17 3.871 6.566 -12.682 139 HB2 PHE 17 HB1 PHE 17 1.597 7.746 -12.317 140 HB3 PHE 17 HB2 PHE 17 1.127 7.199 -13.960 141 HD1 PHE 17 HD1 PHE 17 2.457 5.943 -10.649 142 HD2 PHE 17 HD2 PHE 17 0.117 5.073 -14.143 143 HE1 PHE 17 HE1 PHE 17 1.704 3.828 -9.615 144 HE2 PHE 17 HE2 PHE 17 -0.644 2.957 -13.104 145 HZ PHE 17 HZ PHE 17 0.147 2.334 -10.835 146 H CYS 18 HN CYS 18 2.834 7.601 -15.929 147 HA CYS 18 HA CYS 18 3.105 5.208 -17.311 148 HB2 CYS 18 HB1 CYS 18 2.012 7.274 -18.164 149 HB3 CYS 18 HB2 CYS 18 3.575 8.124 -18.166 150 H LEU 19 HN LEU 19 5.657 7.704 -16.621 151 HA LEU 19 HA LEU 19 7.710 6.270 -17.979 152 HB2 LEU 19 HB1 LEU 19 7.728 8.387 -15.760 153 HB3 LEU 19 HB2 LEU 19 9.226 7.792 -16.541 154 HG LEU 19 HG LEU 19 6.941 9.042 -18.159 155 HD11 LEU 19 HD11 LEU 19 7.636 10.691 -16.436 156 HD12 LEU 19 HD12 LEU 19 8.225 11.193 -18.067 157 HD13 LEU 19 HD13 LEU 19 9.367 10.456 -16.884 158 HD21 LEU 19 HD21 LEU 19 8.695 7.706 -19.423 159 HD22 LEU 19 HD22 LEU 19 9.970 8.749 -18.702 160 HD23 LEU 19 HD23 LEU 19 8.756 9.466 -19.820 161 H VAL 20 HN VAL 20 6.932 6.504 -14.455 162 HA VAL 20 HA VAL 20 9.003 4.859 -13.598 163 HB VAL 20 HB VAL 20 6.350 5.636 -12.318 164 HG11 VAL 20 HG11 VAL 20 7.123 3.553 -11.160 165 HG12 VAL 20 HG12 VAL 20 8.801 4.207 -11.065 166 HG13 VAL 20 HG13 VAL 20 7.475 4.978 -10.128 167 HG21 VAL 20 HG21 VAL 20 9.271 6.603 -11.935 168 HG22 VAL 20 HG22 VAL 20 7.993 7.513 -12.821 169 HG23 VAL 20 HG23 VAL 20 7.831 7.221 -11.054 170 H THR 21 HN THR 21 5.620 3.939 -14.402 171 HA THR 21 HA THR 21 6.305 1.178 -13.679 172 HB THR 21 HB THR 21 4.054 0.560 -13.895 173 HG1 THR 21 HG1 THR 21 3.449 3.201 -14.670 174 HG21 THR 21 HG21 THR 21 2.984 2.047 -12.237 175 HG22 THR 21 HG22 THR 21 4.177 3.349 -12.558 176 HG23 THR 21 HG23 THR 21 4.716 1.802 -11.812 177 H LYS 22 HN LYS 22 7.092 2.864 -16.255 178 HA LYS 22 HA LYS 22 8.005 2.321 -18.097 179 HB2 LYS 22 HB1 LYS 22 8.887 0.481 -16.754 180 HB3 LYS 22 HB2 LYS 22 7.533 -0.561 -17.250 181 HG2 LYS 22 HG1 LYS 22 9.533 -1.244 -18.318 182 HG3 LYS 22 HG2 LYS 22 8.405 -0.713 -19.566 183 HD2 LYS 22 HD1 LYS 22 10.802 0.921 -18.449 184 HD3 LYS 22 HD2 LYS 22 10.889 -0.154 -19.865 185 HE2 LYS 22 HE1 LYS 22 9.362 2.514 -19.671 186 HE3 LYS 22 HE2 LYS 22 10.775 2.106 -20.704 187 HZ1 LYS 22 HZ1 LYS 22 9.370 0.577 -21.954 188 HZ2 LYS 22 HZ2 LYS 22 8.662 2.124 -21.858 189 HZ3 LYS 22 HZ3 LYS 22 8.065 0.886 -20.905 190 H LYS 23 HN LYS 23 5.079 2.840 -18.230 191 HA LYS 23 HA LYS 23 4.177 1.376 -20.582 192 HB2 LYS 23 HB1 LYS 23 3.166 3.843 -19.096 193 HB3 LYS 23 HB2 LYS 23 2.636 3.533 -20.769 194 HG2 LYS 23 HG1 LYS 23 0.923 2.742 -19.495 195 HG3 LYS 23 HG2 LYS 23 1.724 1.284 -20.126 196 HD2 LYS 23 HD1 LYS 23 2.411 2.392 -17.346 197 HD3 LYS 23 HD2 LYS 23 0.866 1.518 -17.589 198 HE2 LYS 23 HE1 LYS 23 2.015 -0.551 -18.299 199 HE3 LYS 23 HE2 LYS 23 3.615 0.283 -18.259 200 HZ1 LYS 23 HZ1 LYS 23 1.964 -0.634 -16.017 201 HZ2 LYS 23 HZ2 LYS 23 2.807 0.836 -15.846 202 HZ3 LYS 23 HZ3 LYS 23 3.663 -0.528 -16.239 203 H CYS 24 HN CYS 24 5.745 4.556 -19.966 204 HA CYS 24 HA CYS 24 5.506 5.327 -22.683 205 HB2 CYS 24 HB1 CYS 24 7.344 6.420 -20.497 206 HB3 CYS 24 HB2 CYS 24 7.053 7.218 -22.080 Start of MODEL 3 1 H1 PHE 1 HN PHE 1 0.484 0.842 1.015 2 HA PHE 1 HA PHE 1 0.671 3.042 -0.048 3 HB2 PHE 1 HB1 PHE 1 2.614 0.903 -1.175 4 HB3 PHE 1 HB2 PHE 1 2.927 2.685 -1.163 5 HD1 PHE 1 HD1 PHE 1 2.838 3.885 1.123 6 HD2 PHE 1 HD2 PHE 1 3.210 -0.379 0.711 7 HE1 PHE 1 HE1 PHE 1 3.720 3.735 3.432 8 HE2 PHE 1 HE2 PHE 1 4.094 -0.522 3.021 9 HZ PHE 1 HZ PHE 1 4.346 1.534 4.381 10 H LEU 2 HN LEU 2 0.361 0.279 -2.252 11 HA LEU 2 HA LEU 2 0.269 1.794 -4.578 12 HB2 LEU 2 HB1 LEU 2 -0.350 -0.112 -5.811 13 HB3 LEU 2 HB2 LEU 2 0.924 -0.521 -4.636 14 HG LEU 2 HG LEU 2 -2.059 -1.179 -4.247 15 HD11 LEU 2 HD11 LEU 2 -1.167 -2.284 -6.284 16 HD12 LEU 2 HD12 LEU 2 -1.469 -3.480 -4.970 17 HD13 LEU 2 HD13 LEU 2 0.214 -2.949 -5.332 18 HD21 LEU 2 HD21 LEU 2 0.481 -2.251 -2.834 19 HD22 LEU 2 HD22 LEU 2 -1.182 -2.902 -2.623 20 HD23 LEU 2 HD23 LEU 2 -0.807 -1.238 -2.071 21 HA PRO 3 HA PRO 3 -4.366 1.815 -4.960 22 HB2 PRO 3 HB1 PRO 3 -6.063 2.113 -2.761 23 HB3 PRO 3 HB2 PRO 3 -5.538 0.506 -3.388 24 HG2 PRO 3 HG1 PRO 3 -4.284 2.090 -1.075 25 HG3 PRO 3 HG2 PRO 3 -4.808 0.358 -1.085 26 HD2 PRO 3 HD1 PRO 3 -2.190 1.075 -1.539 27 HD3 PRO 3 HD2 PRO 3 -2.957 -0.287 -2.475 28 H ILE 4 HN ILE 4 -3.120 3.730 -2.166 29 HA ILE 4 HA ILE 4 -4.418 6.113 -3.019 30 HB ILE 4 HB ILE 4 -2.917 7.314 -1.485 31 HG12 ILE 4 HG11 ILE 4 -1.799 4.516 -0.805 32 HG13 ILE 4 HG12 ILE 4 -0.897 5.803 -1.668 33 HG21 ILE 4 HG21 ILE 4 -5.156 6.315 -0.873 34 HG22 ILE 4 HG22 ILE 4 -4.323 4.812 -0.326 35 HG23 ILE 4 HG23 ILE 4 -4.024 6.371 0.517 36 HD11 ILE 4 HD1 ILE 4 -0.243 5.809 0.697 37 HD12 ILE 4 HD2 ILE 4 -1.155 7.319 0.342 38 HD13 ILE 4 HD3 ILE 4 -1.950 5.969 1.231 39 H LEU 5 HN LEU 5 -1.176 4.756 -3.701 40 HA LEU 5 HA LEU 5 -0.242 6.885 -5.250 41 HB2 LEU 5 HB1 LEU 5 1.025 4.952 -4.252 42 HB3 LEU 5 HB2 LEU 5 0.400 3.890 -5.539 43 HG LEU 5 HG LEU 5 1.981 6.464 -6.136 44 HD11 LEU 5 HD11 LEU 5 4.067 5.094 -6.161 45 HD12 LEU 5 HD12 LEU 5 3.139 3.660 -5.579 46 HD13 LEU 5 HD13 LEU 5 3.313 5.113 -4.525 47 HD21 LEU 5 HD21 LEU 5 1.625 3.825 -7.709 48 HD22 LEU 5 HD22 LEU 5 2.722 5.175 -8.186 49 HD23 LEU 5 HD23 LEU 5 0.945 5.435 -8.161 50 H ALA 6 HN ALA 6 -2.106 3.948 -6.269 51 HA ALA 6 HA ALA 6 -2.270 4.612 -8.978 52 HB1 ALA 6 HB1 ALA 6 -4.177 2.981 -8.995 53 HB2 ALA 6 HB2 ALA 6 -2.798 2.360 -8.014 54 HB3 ALA 6 HB3 ALA 6 -4.236 3.054 -7.190 55 H SER 7 HN SER 7 -4.466 5.487 -6.277 56 HA SER 7 HA SER 7 -6.378 6.853 -7.803 57 HB2 SER 7 HB1 SER 7 -6.645 6.126 -5.417 58 HB3 SER 7 HB2 SER 7 -5.500 7.409 -4.909 59 HG SER 7 HG1 SER 7 -7.824 7.897 -4.790 60 H LEU 8 HN LEU 8 -3.439 8.274 -6.151 61 HA LEU 8 HA LEU 8 -3.975 10.831 -7.255 62 HB2 LEU 8 HB1 LEU 8 -1.908 11.609 -6.372 63 HB3 LEU 8 HB2 LEU 8 -2.737 10.558 -5.190 64 HG LEU 8 HG LEU 8 -1.126 8.676 -6.198 65 HD11 LEU 8 HD11 LEU 8 0.498 11.273 -6.652 66 HD12 LEU 8 HD12 LEU 8 -0.014 10.127 -7.947 67 HD13 LEU 8 HD13 LEU 8 1.156 9.596 -6.687 68 HD21 LEU 8 HD21 LEU 8 -0.224 10.850 -4.205 69 HD22 LEU 8 HD22 LEU 8 0.476 9.195 -4.353 70 HD23 LEU 8 HD23 LEU 8 -1.235 9.401 -3.831 71 H ALA 9 HN ALA 9 -2.024 8.102 -8.485 72 HA ALA 9 HA ALA 9 -0.891 9.404 -10.660 73 HB1 ALA 9 HB1 ALA 9 -0.191 7.149 -9.899 74 HB2 ALA 9 HB2 ALA 9 -1.805 6.487 -10.333 75 HB3 ALA 9 HB3 ALA 9 -0.703 7.081 -11.629 76 H ALA 10 HN ALA 10 -4.096 7.712 -10.487 77 HA ALA 10 HA ALA 10 -4.837 8.378 -13.134 78 HB1 ALA 10 HB1 ALA 10 -6.536 7.818 -10.623 79 HB2 ALA 10 HB2 ALA 10 -7.140 7.773 -12.326 80 HB3 ALA 10 HB3 ALA 10 -5.914 6.577 -11.764 81 H LYS 11 HN LYS 11 -5.434 10.056 -10.024 82 HA LYS 11 HA LYS 11 -7.125 12.017 -11.034 83 HB2 LYS 11 HB1 LYS 11 -6.842 11.222 -8.660 84 HB3 LYS 11 HB2 LYS 11 -5.307 12.129 -8.569 85 HG2 LYS 11 HG1 LYS 11 -6.615 14.277 -8.941 86 HG3 LYS 11 HG2 LYS 11 -8.119 13.312 -9.068 87 HD2 LYS 11 HD1 LYS 11 -7.728 12.408 -6.755 88 HD3 LYS 11 HD2 LYS 11 -6.249 13.413 -6.616 89 HE2 LYS 11 HE1 LYS 11 -7.641 15.510 -6.800 90 HE3 LYS 11 HE2 LYS 11 -9.134 14.502 -6.980 91 HZ1 LYS 11 HZ1 LYS 11 -8.828 15.244 -4.711 92 HZ2 LYS 11 HZ2 LYS 11 -7.300 14.514 -4.626 93 HZ3 LYS 11 HZ3 LYS 11 -8.685 13.557 -4.801 94 H PHE 12 HN PHE 12 -3.555 12.238 -10.586 95 HA PHE 12 HA PHE 12 -3.559 14.413 -12.528 96 HB2 PHE 12 HB1 PHE 12 -2.426 16.085 -11.054 97 HB3 PHE 12 HB2 PHE 12 -4.068 15.677 -10.458 98 HD1 PHE 12 HD1 PHE 12 -4.377 14.501 -8.370 99 HD2 PHE 12 HD2 PHE 12 -0.426 15.283 -9.831 100 HE1 PHE 12 HE1 PHE 12 -3.441 13.946 -6.131 101 HE2 PHE 12 HE2 PHE 12 0.514 14.733 -7.607 102 HZ PHE 12 HZ PHE 12 -0.993 14.068 -5.755 103 H GLY 13 HN GLY 13 -1.959 11.737 -11.218 104 HA2 GLY 13 HA1 GLY 13 0.690 12.692 -12.006 105 HA3 GLY 13 HA2 GLY 13 0.260 11.210 -11.127 106 HA PRO 14 HA PRO 14 -0.359 8.865 -14.605 107 HB2 PRO 14 HB1 PRO 14 -1.508 9.405 -17.091 108 HB3 PRO 14 HB2 PRO 14 -2.458 9.314 -15.560 109 HG2 PRO 14 HG1 PRO 14 -1.344 11.869 -16.854 110 HG3 PRO 14 HG2 PRO 14 -3.051 11.523 -16.336 111 HD2 PRO 14 HD1 PRO 14 -1.332 12.854 -14.649 112 HD3 PRO 14 HD2 PRO 14 -2.460 11.574 -14.011 113 H LYS 15 HN LYS 15 1.057 11.796 -15.986 114 HA LYS 15 HA LYS 15 2.597 10.444 -17.974 115 HB2 LYS 15 HB1 LYS 15 3.073 13.136 -16.585 116 HB3 LYS 15 HB2 LYS 15 4.009 12.553 -17.995 117 HG2 LYS 15 HG1 LYS 15 0.974 13.102 -17.994 118 HG3 LYS 15 HG2 LYS 15 2.251 14.214 -18.581 119 HD2 LYS 15 HD1 LYS 15 2.958 12.433 -20.280 120 HD3 LYS 15 HD2 LYS 15 1.624 11.404 -19.698 121 HE2 LYS 15 HE1 LYS 15 0.889 12.433 -21.764 122 HE3 LYS 15 HE2 LYS 15 -0.061 13.162 -20.411 123 HZ1 LYS 15 HZ1 LYS 15 2.332 14.363 -21.733 124 HZ2 LYS 15 HZ2 LYS 15 1.444 15.058 -20.467 125 HZ3 LYS 15 HZ3 LYS 15 0.720 14.815 -21.980 126 H LEU 16 HN LEU 16 3.479 11.370 -14.565 127 HA LEU 16 HA LEU 16 6.036 10.137 -14.825 128 HB2 LEU 16 HB1 LEU 16 6.231 10.296 -12.382 129 HB3 LEU 16 HB2 LEU 16 5.965 11.851 -13.197 130 HG LEU 16 HG LEU 16 3.553 10.403 -12.016 131 HD11 LEU 16 HD11 LEU 16 5.604 12.027 -10.390 132 HD12 LEU 16 HD12 LEU 16 5.286 10.258 -10.240 133 HD13 LEU 16 HD13 LEU 16 4.003 11.444 -9.806 134 HD21 LEU 16 HD21 LEU 16 4.403 13.373 -12.262 135 HD22 LEU 16 HD22 LEU 16 2.886 12.792 -11.500 136 HD23 LEU 16 HD23 LEU 16 3.146 12.549 -13.265 137 H PHE 17 HN PHE 17 2.851 8.956 -13.669 138 HA PHE 17 HA PHE 17 3.744 6.470 -12.789 139 HB2 PHE 17 HB1 PHE 17 1.452 7.531 -12.423 140 HB3 PHE 17 HB2 PHE 17 1.046 7.145 -14.131 141 HD1 PHE 17 HD1 PHE 17 2.344 5.510 -10.967 142 HD2 PHE 17 HD2 PHE 17 -0.020 5.092 -14.529 143 HE1 PHE 17 HE1 PHE 17 1.614 3.268 -10.220 144 HE2 PHE 17 HE2 PHE 17 -0.760 2.854 -13.774 145 HZ PHE 17 HZ PHE 17 0.058 1.939 -11.619 146 H CYS 18 HN CYS 18 2.783 7.465 -16.103 147 HA CYS 18 HA CYS 18 3.109 5.014 -17.372 148 HB2 CYS 18 HB1 CYS 18 2.047 7.168 -18.226 149 HB3 CYS 18 HB2 CYS 18 3.687 7.796 -18.537 150 H LEU 19 HN LEU 19 5.606 7.537 -16.698 151 HA LEU 19 HA LEU 19 7.749 6.098 -17.886 152 HB2 LEU 19 HB1 LEU 19 7.693 8.246 -15.699 153 HB3 LEU 19 HB2 LEU 19 9.190 7.662 -16.492 154 HG LEU 19 HG LEU 19 6.862 8.991 -17.996 155 HD11 LEU 19 HD11 LEU 19 8.301 11.025 -18.054 156 HD12 LEU 19 HD12 LEU 19 9.517 10.206 -17.007 157 HD13 LEU 19 HD13 LEU 19 7.873 10.574 -16.361 158 HD21 LEU 19 HD21 LEU 19 9.773 8.385 -18.836 159 HD22 LEU 19 HD22 LEU 19 8.555 9.276 -19.817 160 HD23 LEU 19 HD23 LEU 19 8.307 7.530 -19.445 161 H VAL 20 HN VAL 20 6.588 6.206 -14.455 162 HA VAL 20 HA VAL 20 8.583 4.527 -13.425 163 HB VAL 20 HB VAL 20 5.752 5.129 -12.500 164 HG11 VAL 20 HG11 VAL 20 7.994 3.547 -11.049 165 HG12 VAL 20 HG12 VAL 20 6.524 4.211 -10.256 166 HG13 VAL 20 HG13 VAL 20 6.355 2.921 -11.487 167 HG21 VAL 20 HG21 VAL 20 6.975 6.556 -10.848 168 HG22 VAL 20 HG22 VAL 20 8.555 6.026 -11.521 169 HG23 VAL 20 HG23 VAL 20 7.447 7.039 -12.515 170 H THR 21 HN THR 21 5.293 3.632 -14.590 171 HA THR 21 HA THR 21 5.607 0.850 -14.272 172 HB THR 21 HB THR 21 3.756 0.603 -15.965 173 HG1 THR 21 HG1 THR 21 3.596 3.400 -15.771 174 HG21 THR 21 HG21 THR 21 3.304 2.661 -13.690 175 HG22 THR 21 HG22 THR 21 3.295 0.868 -13.521 176 HG23 THR 21 HG23 THR 21 2.042 1.684 -14.520 177 H LYS 22 HN LYS 22 6.419 2.957 -16.951 178 HA LYS 22 HA LYS 22 7.985 2.773 -18.476 179 HB2 LYS 22 HB1 LYS 22 8.817 0.482 -17.129 180 HB3 LYS 22 HB2 LYS 22 8.306 -0.196 -18.669 181 HG2 LYS 22 HG1 LYS 22 10.676 0.291 -18.813 182 HG3 LYS 22 HG2 LYS 22 9.796 1.392 -19.903 183 HD2 LYS 22 HD1 LYS 22 11.608 2.566 -18.820 184 HD3 LYS 22 HD2 LYS 22 10.077 3.290 -18.289 185 HE2 LYS 22 HE1 LYS 22 11.679 1.214 -16.615 186 HE3 LYS 22 HE2 LYS 22 11.922 3.003 -16.501 187 HZ1 LYS 22 HZ1 LYS 22 10.364 2.225 -14.803 188 HZ2 LYS 22 HZ2 LYS 22 9.351 1.587 -15.988 189 HZ3 LYS 22 HZ3 LYS 22 9.597 3.233 -15.919 190 H LYS 23 HN LYS 23 5.001 2.416 -18.661 191 HA LYS 23 HA LYS 23 4.801 1.196 -21.274 192 HB2 LYS 23 HB1 LYS 23 2.941 2.039 -19.294 193 HB3 LYS 23 HB2 LYS 23 2.617 3.106 -20.676 194 HG2 LYS 23 HG1 LYS 23 2.598 0.029 -20.577 195 HG3 LYS 23 HG2 LYS 23 1.180 1.095 -20.764 196 HD2 LYS 23 HD1 LYS 23 3.449 0.647 -22.809 197 HD3 LYS 23 HD2 LYS 23 1.836 -0.089 -22.873 198 HE2 LYS 23 HE1 LYS 23 0.845 1.725 -23.854 199 HE3 LYS 23 HE2 LYS 23 1.662 2.899 -22.750 200 HZ1 LYS 23 HZ1 LYS 23 3.623 2.746 -24.006 201 HZ2 LYS 23 HZ2 LYS 23 2.366 3.136 -25.068 202 HZ3 LYS 23 HZ3 LYS 23 3.010 1.561 -25.049 203 H CYS 24 HN CYS 24 5.831 4.212 -20.006 204 HA CYS 24 HA CYS 24 6.211 5.264 -22.738 205 HB2 CYS 24 HB1 CYS 24 6.014 6.828 -20.093 206 HB3 CYS 24 HB2 CYS 24 6.426 7.542 -21.686 Start of MODEL 4 1 H1 PHE 1 HN PHE 1 0.092 0.335 0.792 2 HA PHE 1 HA PHE 1 0.323 2.643 -0.042 3 HB2 PHE 1 HB1 PHE 1 2.378 0.673 -1.277 4 HB3 PHE 1 HB2 PHE 1 2.668 2.417 -0.902 5 HD1 PHE 1 HD1 PHE 1 2.277 3.131 1.594 6 HD2 PHE 1 HD2 PHE 1 2.884 -0.936 0.334 7 HE1 PHE 1 HE1 PHE 1 2.932 2.510 3.900 8 HE2 PHE 1 HE2 PHE 1 3.541 -1.549 2.642 9 HZ PHE 1 HZ PHE 1 3.561 0.172 4.424 10 H LEU 2 HN LEU 2 0.219 0.064 -2.440 11 HA LEU 2 HA LEU 2 0.328 1.632 -4.730 12 HB2 LEU 2 HB1 LEU 2 -0.894 -1.156 -4.373 13 HB3 LEU 2 HB2 LEU 2 -0.591 -0.340 -5.936 14 HG LEU 2 HG LEU 2 1.900 -0.150 -5.150 15 HD11 LEU 2 HD11 LEU 2 1.730 -0.983 -2.803 16 HD12 LEU 2 HD12 LEU 2 2.651 -2.153 -3.798 17 HD13 LEU 2 HD13 LEU 2 0.937 -2.501 -3.382 18 HD21 LEU 2 HD21 LEU 2 0.643 -2.844 -5.966 19 HD22 LEU 2 HD22 LEU 2 2.366 -2.367 -6.188 20 HD23 LEU 2 HD23 LEU 2 1.069 -1.488 -7.078 21 HA PRO 3 HA PRO 3 -4.280 1.641 -5.402 22 HB2 PRO 3 HB1 PRO 3 -6.132 1.686 -3.280 23 HB3 PRO 3 HB2 PRO 3 -5.564 0.186 -4.104 24 HG2 PRO 3 HG1 PRO 3 -4.467 1.413 -1.516 25 HG3 PRO 3 HG2 PRO 3 -4.949 -0.304 -1.821 26 HD2 PRO 3 HD1 PRO 3 -2.336 0.479 -1.978 27 HD3 PRO 3 HD2 PRO 3 -3.000 -0.685 -3.215 28 H ILE 4 HN ILE 4 -3.365 3.364 -2.363 29 HA ILE 4 HA ILE 4 -4.705 5.748 -3.129 30 HB ILE 4 HB ILE 4 -3.364 6.888 -1.411 31 HG12 ILE 4 HG11 ILE 4 -2.157 4.095 -0.869 32 HG13 ILE 4 HG12 ILE 4 -1.265 5.483 -1.571 33 HG21 ILE 4 HG21 ILE 4 -5.587 5.749 -1.030 34 HG22 ILE 4 HG22 ILE 4 -4.720 4.245 -0.540 35 HG23 ILE 4 HG23 ILE 4 -4.550 5.747 0.434 36 HD11 ILE 4 HD1 ILE 4 -1.720 6.827 0.522 37 HD12 ILE 4 HD2 ILE 4 -2.510 5.382 1.254 38 HD13 ILE 4 HD3 ILE 4 -0.766 5.332 0.829 39 H LEU 5 HN LEU 5 -1.348 4.613 -3.675 40 HA LEU 5 HA LEU 5 -0.433 6.895 -4.996 41 HB2 LEU 5 HB1 LEU 5 0.878 4.974 -4.053 42 HB3 LEU 5 HB2 LEU 5 0.389 3.961 -5.434 43 HG LEU 5 HG LEU 5 1.854 6.644 -5.796 44 HD11 LEU 5 HD11 LEU 5 3.158 5.291 -4.164 45 HD12 LEU 5 HD12 LEU 5 4.017 5.402 -5.742 46 HD13 LEU 5 HD13 LEU 5 3.142 3.887 -5.294 47 HD21 LEU 5 HD21 LEU 5 2.798 5.515 -7.851 48 HD22 LEU 5 HD22 LEU 5 1.008 5.653 -7.930 49 HD23 LEU 5 HD23 LEU 5 1.772 4.071 -7.510 50 H ALA 6 HN ALA 6 -2.044 3.955 -6.348 51 HA ALA 6 HA ALA 6 -2.030 4.789 -9.016 52 HB1 ALA 6 HB1 ALA 6 -4.035 3.000 -7.510 53 HB2 ALA 6 HB2 ALA 6 -3.820 3.054 -9.303 54 HB3 ALA 6 HB3 ALA 6 -2.491 2.448 -8.246 55 H SER 7 HN SER 7 -4.513 5.340 -6.473 56 HA SER 7 HA SER 7 -6.357 6.702 -8.090 57 HB2 SER 7 HB1 SER 7 -6.809 5.781 -5.797 58 HB3 SER 7 HB2 SER 7 -5.807 7.091 -5.089 59 HG SER 7 HG1 SER 7 -8.106 7.539 -5.136 60 H LEU 8 HN LEU 8 -3.702 8.139 -6.025 61 HA LEU 8 HA LEU 8 -4.299 10.740 -6.947 62 HB2 LEU 8 HB1 LEU 8 -2.414 11.576 -5.786 63 HB3 LEU 8 HB2 LEU 8 -3.220 10.316 -4.810 64 HG LEU 8 HG LEU 8 -1.362 8.719 -5.857 65 HD11 LEU 8 HD11 LEU 8 -0.263 10.438 -7.358 66 HD12 LEU 8 HD12 LEU 8 0.851 9.871 -6.066 67 HD13 LEU 8 HD13 LEU 8 0.050 11.475 -5.914 68 HD21 LEU 8 HD21 LEU 8 -1.711 9.180 -3.447 69 HD22 LEU 8 HD22 LEU 8 -0.814 10.739 -3.591 70 HD23 LEU 8 HD23 LEU 8 0.043 9.174 -3.845 71 H ALA 9 HN ALA 9 -2.054 8.276 -8.237 72 HA ALA 9 HA ALA 9 -0.875 9.873 -10.191 73 HB1 ALA 9 HB1 ALA 9 -1.535 6.869 -10.183 74 HB2 ALA 9 HB2 ALA 9 -0.402 7.676 -11.333 75 HB3 ALA 9 HB3 ALA 9 -0.027 7.626 -9.565 76 H ALA 10 HN ALA 10 -3.930 7.910 -10.426 77 HA ALA 10 HA ALA 10 -4.494 8.675 -13.080 78 HB1 ALA 10 HB1 ALA 10 -6.364 7.888 -10.758 79 HB2 ALA 10 HB2 ALA 10 -6.813 7.886 -12.507 80 HB3 ALA 10 HB3 ALA 10 -5.565 6.743 -11.887 81 H LYS 11 HN LYS 11 -5.490 10.128 -9.966 82 HA LYS 11 HA LYS 11 -7.099 12.140 -11.018 83 HB2 LYS 11 HB1 LYS 11 -7.340 11.358 -8.783 84 HB3 LYS 11 HB2 LYS 11 -5.643 11.696 -8.382 85 HG2 LYS 11 HG1 LYS 11 -7.289 14.112 -9.168 86 HG3 LYS 11 HG2 LYS 11 -7.778 13.279 -7.661 87 HD2 LYS 11 HD1 LYS 11 -5.522 13.406 -6.726 88 HD3 LYS 11 HD2 LYS 11 -4.884 14.095 -8.253 89 HE2 LYS 11 HE1 LYS 11 -6.234 16.177 -7.930 90 HE3 LYS 11 HE2 LYS 11 -6.919 15.506 -6.393 91 HZ1 LYS 11 HZ1 LYS 11 -4.689 15.387 -5.504 92 HZ2 LYS 11 HZ2 LYS 11 -5.016 16.971 -6.017 93 HZ3 LYS 11 HZ3 LYS 11 -4.022 15.959 -6.945 94 H PHE 12 HN PHE 12 -3.553 12.396 -10.265 95 HA PHE 12 HA PHE 12 -3.492 14.523 -12.192 96 HB2 PHE 12 HB1 PHE 12 -2.793 16.411 -10.965 97 HB3 PHE 12 HB2 PHE 12 -4.324 15.835 -10.251 98 HD1 PHE 12 HD1 PHE 12 -2.673 17.849 -8.933 99 HD2 PHE 12 HD2 PHE 12 -2.357 13.563 -8.682 100 HE1 PHE 12 HE1 PHE 12 -1.649 18.044 -6.685 101 HE2 PHE 12 HE2 PHE 12 -1.362 13.765 -6.458 102 HZ PHE 12 HZ PHE 12 -1.000 15.998 -5.440 103 H GLY 13 HN GLY 13 -1.949 11.903 -11.453 104 HA2 GLY 13 HA1 GLY 13 0.706 13.114 -12.029 105 HA3 GLY 13 HA2 GLY 13 0.457 11.737 -10.922 106 HA PRO 14 HA PRO 14 -0.366 9.253 -14.513 107 HB2 PRO 14 HB1 PRO 14 -1.249 10.026 -17.053 108 HB3 PRO 14 HB2 PRO 14 -2.337 9.939 -15.616 109 HG2 PRO 14 HG1 PRO 14 -0.900 12.443 -16.672 110 HG3 PRO 14 HG2 PRO 14 -2.664 12.231 -16.307 111 HD2 PRO 14 HD1 PRO 14 -0.987 13.322 -14.411 112 HD3 PRO 14 HD2 PRO 14 -2.263 12.109 -13.945 113 H LYS 15 HN LYS 15 1.336 12.135 -15.687 114 HA LYS 15 HA LYS 15 2.862 10.763 -17.625 115 HB2 LYS 15 HB1 LYS 15 2.432 13.382 -17.077 116 HB3 LYS 15 HB2 LYS 15 4.081 13.242 -16.415 117 HG2 LYS 15 HG1 LYS 15 3.141 12.446 -19.257 118 HG3 LYS 15 HG2 LYS 15 3.898 14.014 -18.825 119 HD2 LYS 15 HD1 LYS 15 6.034 12.851 -18.228 120 HD3 LYS 15 HD2 LYS 15 5.270 11.266 -18.509 121 HE2 LYS 15 HE1 LYS 15 6.702 11.798 -20.416 122 HE3 LYS 15 HE2 LYS 15 4.971 11.728 -20.927 123 HZ1 LYS 15 HZ1 LYS 15 4.900 14.136 -20.824 124 HZ2 LYS 15 HZ2 LYS 15 6.121 13.618 -21.876 125 HZ3 LYS 15 HZ3 LYS 15 6.523 14.208 -20.340 126 H LEU 16 HN LEU 16 3.690 11.502 -14.156 127 HA LEU 16 HA LEU 16 6.208 10.187 -14.372 128 HB2 LEU 16 HB1 LEU 16 6.366 10.316 -11.952 129 HB3 LEU 16 HB2 LEU 16 5.867 11.858 -12.684 130 HG LEU 16 HG LEU 16 3.388 10.938 -12.072 131 HD11 LEU 16 HD11 LEU 16 4.216 8.771 -11.019 132 HD12 LEU 16 HD12 LEU 16 3.399 9.849 -9.831 133 HD13 LEU 16 HD13 LEU 16 5.193 9.744 -9.863 134 HD21 LEU 16 HD21 LEU 16 3.526 12.321 -10.009 135 HD22 LEU 16 HD22 LEU 16 4.381 13.117 -11.382 136 HD23 LEU 16 HD23 LEU 16 5.323 12.283 -10.089 137 H PHE 17 HN PHE 17 2.952 9.039 -13.421 138 HA PHE 17 HA PHE 17 3.730 6.454 -12.767 139 HB2 PHE 17 HB1 PHE 17 1.543 7.546 -12.196 140 HB3 PHE 17 HB2 PHE 17 1.062 7.483 -13.923 141 HD1 PHE 17 HD1 PHE 17 2.657 4.924 -11.591 142 HD2 PHE 17 HD2 PHE 17 -0.727 5.970 -14.028 143 HE1 PHE 17 HE1 PHE 17 1.656 2.721 -11.143 144 HE2 PHE 17 HE2 PHE 17 -1.742 3.764 -13.554 145 HZ PHE 17 HZ PHE 17 -0.548 2.131 -12.119 146 H CYS 18 HN CYS 18 2.857 7.763 -16.031 147 HA CYS 18 HA CYS 18 3.118 5.241 -17.257 148 HB2 CYS 18 HB1 CYS 18 2.947 6.208 -19.367 149 HB3 CYS 18 HB2 CYS 18 1.872 7.135 -18.291 150 H LEU 19 HN LEU 19 5.624 7.771 -16.670 151 HA LEU 19 HA LEU 19 7.640 6.375 -18.069 152 HB2 LEU 19 HB1 LEU 19 7.755 8.355 -15.735 153 HB3 LEU 19 HB2 LEU 19 9.208 7.795 -16.621 154 HG LEU 19 HG LEU 19 6.855 9.238 -17.969 155 HD11 LEU 19 HD11 LEU 19 8.322 11.273 -17.926 156 HD12 LEU 19 HD12 LEU 19 9.530 10.372 -16.936 157 HD13 LEU 19 HD13 LEU 19 7.894 10.714 -16.262 158 HD21 LEU 19 HD21 LEU 19 8.530 9.645 -19.801 159 HD22 LEU 19 HD22 LEU 19 8.246 7.884 -19.548 160 HD23 LEU 19 HD23 LEU 19 9.740 8.660 -18.904 161 H VAL 20 HN VAL 20 6.816 6.277 -14.554 162 HA VAL 20 HA VAL 20 8.976 4.763 -13.773 163 HB VAL 20 HB VAL 20 6.210 5.131 -12.581 164 HG11 VAL 20 HG11 VAL 20 8.663 3.698 -11.337 165 HG12 VAL 20 HG12 VAL 20 7.237 4.276 -10.409 166 HG13 VAL 20 HG13 VAL 20 7.039 2.967 -11.623 167 HG21 VAL 20 HG21 VAL 20 9.031 6.184 -11.840 168 HG22 VAL 20 HG22 VAL 20 7.804 7.133 -12.750 169 HG23 VAL 20 HG23 VAL 20 7.485 6.643 -11.047 170 H THR 21 HN THR 21 5.820 3.428 -14.898 171 HA THR 21 HA THR 21 7.095 0.752 -14.618 172 HB THR 21 HB THR 21 5.154 -0.368 -14.392 173 HG1 THR 21 HG1 THR 21 3.976 0.466 -15.956 174 HG21 THR 21 HG21 THR 21 3.950 0.721 -12.530 175 HG22 THR 21 HG22 THR 21 4.592 2.341 -12.994 176 HG23 THR 21 HG23 THR 21 5.711 1.062 -12.388 177 H LYS 22 HN LYS 22 7.515 2.717 -16.874 178 HA LYS 22 HA LYS 22 7.659 2.771 -19.044 179 HB2 LYS 22 HB1 LYS 22 9.226 0.996 -18.473 180 HB3 LYS 22 HB2 LYS 22 7.946 -0.231 -18.676 181 HG2 LYS 22 HG1 LYS 22 9.533 -0.250 -20.561 182 HG3 LYS 22 HG2 LYS 22 7.869 0.112 -21.080 183 HD2 LYS 22 HD1 LYS 22 8.725 2.685 -20.876 184 HD3 LYS 22 HD2 LYS 22 10.327 1.931 -21.079 185 HE2 LYS 22 HE1 LYS 22 7.854 1.764 -22.957 186 HE3 LYS 22 HE2 LYS 22 9.370 2.697 -23.268 187 HZ1 LYS 22 HZ1 LYS 22 10.571 0.596 -23.323 188 HZ2 LYS 22 HZ2 LYS 22 9.307 0.602 -24.459 189 HZ3 LYS 22 HZ3 LYS 22 9.137 -0.259 -23.008 190 H LYS 23 HN LYS 23 5.133 3.306 -18.622 191 HA LYS 23 HA LYS 23 3.606 1.819 -20.682 192 HB2 LYS 23 HB1 LYS 23 2.546 3.908 -18.713 193 HB3 LYS 23 HB2 LYS 23 1.602 2.841 -19.800 194 HG2 LYS 23 HG1 LYS 23 2.475 0.838 -18.563 195 HG3 LYS 23 HG2 LYS 23 3.321 1.911 -17.413 196 HD2 LYS 23 HD1 LYS 23 0.279 1.918 -17.951 197 HD3 LYS 23 HD2 LYS 23 1.029 0.943 -16.663 198 HE2 LYS 23 HE1 LYS 23 1.182 4.043 -16.793 199 HE3 LYS 23 HE2 LYS 23 -0.050 3.104 -15.872 200 HZ1 LYS 23 HZ1 LYS 23 1.380 2.964 -14.223 201 HZ2 LYS 23 HZ2 LYS 23 2.571 3.770 -15.091 202 HZ3 LYS 23 HZ3 LYS 23 2.486 2.110 -15.179 203 H CYS 24 HN CYS 24 5.653 4.443 -20.425 204 HA CYS 24 HA CYS 24 4.295 5.972 -22.552 205 HB2 CYS 24 HB2 CYS 24 6.961 6.438 -21.102 206 HB3 CYS 24 HB1 CYS 24 6.357 7.451 -22.452 Start of MODEL 5 1 H1 PHE 1 HN PHE 1 0.268 0.802 1.267 2 HA PHE 1 HA PHE 1 0.573 2.998 0.215 3 HB2 PHE 1 HB1 PHE 1 2.453 0.788 -0.882 4 HB3 PHE 1 HB2 PHE 1 2.843 2.553 -0.821 5 HD1 PHE 1 HD1 PHE 1 2.737 3.702 1.496 6 HD2 PHE 1 HD2 PHE 1 2.937 -0.563 0.983 7 HE1 PHE 1 HE1 PHE 1 3.542 3.456 3.824 8 HE2 PHE 1 HE2 PHE 1 3.745 -0.801 3.312 9 HZ PHE 1 HZ PHE 1 4.044 1.207 4.733 10 H LEU 2 HN LEU 2 0.309 0.253 -2.028 11 HA LEU 2 HA LEU 2 0.275 1.803 -4.332 12 HB2 LEU 2 HB1 LEU 2 -0.275 -0.095 -5.612 13 HB3 LEU 2 HB2 LEU 2 0.964 -0.503 -4.399 14 HG LEU 2 HG LEU 2 -2.021 -1.204 -4.117 15 HD11 LEU 2 HD11 LEU 2 -1.053 -2.269 -6.141 16 HD12 LEU 2 HD12 LEU 2 -1.380 -3.487 -4.854 17 HD13 LEU 2 HD13 LEU 2 0.307 -2.931 -5.156 18 HD21 LEU 2 HD21 LEU 2 -1.172 -2.942 -2.493 19 HD22 LEU 2 HD22 LEU 2 -0.837 -1.282 -1.904 20 HD23 LEU 2 HD23 LEU 2 0.487 -2.267 -2.642 21 HA PRO 3 HA PRO 3 -4.344 1.741 -4.875 22 HB2 PRO 3 HB1 PRO 3 -6.122 1.989 -2.736 23 HB3 PRO 3 HB2 PRO 3 -5.544 0.398 -3.356 24 HG2 PRO 3 HG1 PRO 3 -4.408 1.985 -0.987 25 HG3 PRO 3 HG2 PRO 3 -4.891 0.243 -1.032 26 HD2 PRO 3 HD1 PRO 3 -2.276 1.027 -1.383 27 HD3 PRO 3 HD2 PRO 3 -2.975 -0.348 -2.353 28 H ILE 4 HN ILE 4 -3.266 3.656 -2.011 29 HA ILE 4 HA ILE 4 -4.563 6.023 -2.893 30 HB ILE 4 HB ILE 4 -3.134 7.228 -1.290 31 HG12 ILE 4 HG11 ILE 4 -2.001 4.436 -0.607 32 HG13 ILE 4 HG12 ILE 4 -1.087 5.747 -1.418 33 HG21 ILE 4 HG21 ILE 4 -5.379 6.192 -0.773 34 HG22 ILE 4 HG22 ILE 4 -4.546 4.693 -0.214 35 HG23 ILE 4 HG23 ILE 4 -4.299 6.245 0.659 36 HD11 ILE 4 HD1 ILE 4 -2.248 5.856 1.442 37 HD12 ILE 4 HD2 ILE 4 -0.520 5.728 0.970 38 HD13 ILE 4 HD3 ILE 4 -1.440 7.231 0.602 39 H LEU 5 HN LEU 5 -1.271 4.736 -3.463 40 HA LEU 5 HA LEU 5 -0.317 6.898 -4.950 41 HB2 LEU 5 HB1 LEU 5 0.956 4.988 -3.932 42 HB3 LEU 5 HB2 LEU 5 0.384 3.916 -5.235 43 HG LEU 5 HG LEU 5 1.935 6.513 -5.802 44 HD11 LEU 5 HD11 LEU 5 3.244 5.205 -4.138 45 HD12 LEU 5 HD12 LEU 5 4.049 5.186 -5.749 46 HD13 LEU 5 HD13 LEU 5 3.133 3.740 -5.181 47 HD21 LEU 5 HD21 LEU 5 1.689 3.850 -7.357 48 HD22 LEU 5 HD22 LEU 5 2.764 5.223 -7.816 49 HD23 LEU 5 HD23 LEU 5 0.980 5.438 -7.847 50 H ALA 6 HN ALA 6 -2.082 3.940 -6.079 51 HA ALA 6 HA ALA 6 -2.130 4.637 -8.787 52 HB1 ALA 6 HB1 ALA 6 -2.640 2.357 -7.880 53 HB2 ALA 6 HB2 ALA 6 -4.134 3.000 -7.116 54 HB3 ALA 6 HB3 ALA 6 -3.990 2.955 -8.916 55 H SER 7 HN SER 7 -4.497 5.398 -6.189 56 HA SER 7 HA SER 7 -6.353 6.742 -7.805 57 HB2 SER 7 HB1 SER 7 -6.749 5.960 -5.450 58 HB3 SER 7 HB2 SER 7 -5.682 7.272 -4.851 59 HG SER 7 HG1 SER 7 -7.976 7.768 -4.851 60 H LEU 8 HN LEU 8 -3.572 8.193 -5.926 61 HA LEU 8 HA LEU 8 -4.109 10.759 -6.980 62 HB2 LEU 8 HB1 LEU 8 -2.160 11.588 -5.933 63 HB3 LEU 8 HB2 LEU 8 -2.962 10.411 -4.858 64 HG LEU 8 HG LEU 8 -1.200 8.700 -5.888 65 HD11 LEU 8 HD11 LEU 8 1.037 9.762 -6.250 66 HD12 LEU 8 HD12 LEU 8 0.294 11.399 -6.154 67 HD13 LEU 8 HD13 LEU 8 -0.112 10.296 -7.525 68 HD21 LEU 8 HD21 LEU 8 0.301 9.214 -3.963 69 HD22 LEU 8 HD22 LEU 8 -1.434 9.303 -3.495 70 HD23 LEU 8 HD23 LEU 8 -0.492 10.820 -3.762 71 H ALA 9 HN ALA 9 -2.032 8.120 -8.202 72 HA ALA 9 HA ALA 9 -0.822 9.535 -10.264 73 HB1 ALA 9 HB1 ALA 9 -0.095 7.274 -9.546 74 HB2 ALA 9 HB2 ALA 9 -1.651 6.581 -10.115 75 HB3 ALA 9 HB3 ALA 9 -0.489 7.274 -11.306 76 H ALA 10 HN ALA 10 -3.987 7.749 -10.325 77 HA ALA 10 HA ALA 10 -4.598 8.485 -12.984 78 HB1 ALA 10 HB1 ALA 10 -6.929 7.805 -12.324 79 HB2 ALA 10 HB2 ALA 10 -5.708 6.620 -11.727 80 HB3 ALA 10 HB3 ALA 10 -6.421 7.812 -10.589 81 H LYS 11 HN LYS 11 -5.459 10.035 -9.867 82 HA LYS 11 HA LYS 11 -7.068 12.038 -10.923 83 HB2 LYS 11 HB1 LYS 11 -7.249 11.304 -8.661 84 HB3 LYS 11 HB2 LYS 11 -5.547 11.672 -8.309 85 HG2 LYS 11 HG1 LYS 11 -7.258 14.036 -9.128 86 HG3 LYS 11 HG2 LYS 11 -7.674 13.250 -7.575 87 HD2 LYS 11 HD1 LYS 11 -5.387 13.456 -6.731 88 HD3 LYS 11 HD2 LYS 11 -4.824 14.106 -8.306 89 HE2 LYS 11 HE1 LYS 11 -6.205 16.167 -8.003 90 HE3 LYS 11 HE2 LYS 11 -6.818 15.537 -6.418 91 HZ1 LYS 11 HZ1 LYS 11 -4.565 15.506 -5.601 92 HZ2 LYS 11 HZ2 LYS 11 -4.929 17.058 -6.180 93 HZ3 LYS 11 HZ3 LYS 11 -3.949 16.014 -7.087 94 H PHE 12 HN PHE 12 -3.523 12.265 -10.274 95 HA PHE 12 HA PHE 12 -3.446 14.310 -12.278 96 HB2 PHE 12 HB1 PHE 12 -2.667 16.236 -11.132 97 HB3 PHE 12 HB2 PHE 12 -4.217 15.746 -10.398 98 HD1 PHE 12 HD1 PHE 12 -2.516 17.755 -9.156 99 HD2 PHE 12 HD2 PHE 12 -2.328 13.473 -8.723 100 HE1 PHE 12 HE1 PHE 12 -1.491 18.013 -6.915 101 HE2 PHE 12 HE2 PHE 12 -1.323 13.742 -6.512 102 HZ PHE 12 HZ PHE 12 -0.899 16.003 -5.587 103 H GLY 13 HN GLY 13 -1.927 11.741 -11.055 104 HA2 GLY 13 HA1 GLY 13 0.784 12.779 -11.559 105 HA3 GLY 13 HA2 GLY 13 0.326 11.262 -10.760 106 HA PRO 14 HA PRO 14 -0.078 9.099 -14.436 107 HB2 PRO 14 HB1 PRO 14 -1.207 9.778 -16.893 108 HB3 PRO 14 HB2 PRO 14 -2.194 9.547 -15.399 109 HG2 PRO 14 HG1 PRO 14 -1.137 12.219 -16.491 110 HG3 PRO 14 HG2 PRO 14 -2.841 11.784 -16.045 111 HD2 PRO 14 HD1 PRO 14 -1.197 13.055 -14.232 112 HD3 PRO 14 HD2 PRO 14 -2.321 11.720 -13.708 113 H LYS 15 HN LYS 15 1.219 12.197 -15.351 114 HA LYS 15 HA LYS 15 2.743 11.409 -17.555 115 HB2 LYS 15 HB1 LYS 15 2.146 13.777 -16.414 116 HB3 LYS 15 HB2 LYS 15 3.764 13.605 -15.705 117 HG2 LYS 15 HG1 LYS 15 2.955 13.788 -18.692 118 HG3 LYS 15 HG2 LYS 15 3.798 14.993 -17.693 119 HD2 LYS 15 HD1 LYS 15 5.649 14.216 -18.754 120 HD3 LYS 15 HD2 LYS 15 5.619 13.035 -17.420 121 HE2 LYS 15 HE1 LYS 15 3.994 11.767 -19.359 122 HE3 LYS 15 HE2 LYS 15 5.109 12.711 -20.419 123 HZ1 LYS 15 HZ1 LYS 15 5.966 10.513 -19.917 124 HZ2 LYS 15 HZ2 LYS 15 5.828 10.819 -18.254 125 HZ3 LYS 15 HZ3 LYS 15 6.963 11.685 -19.177 126 H LEU 16 HN LEU 16 3.651 11.443 -14.054 127 HA LEU 16 HA LEU 16 6.210 10.235 -14.565 128 HB2 LEU 16 HB1 LEU 16 6.403 9.981 -12.126 129 HB3 LEU 16 HB2 LEU 16 6.211 11.661 -12.670 130 HG LEU 16 HG LEU 16 3.736 10.142 -11.726 131 HD11 LEU 16 HD11 LEU 16 5.466 9.654 -10.007 132 HD12 LEU 16 HD12 LEU 16 4.229 10.805 -9.384 133 HD13 LEU 16 HD13 LEU 16 5.850 11.411 -9.880 134 HD21 LEU 16 HD21 LEU 16 4.684 13.080 -11.469 135 HD22 LEU 16 HD22 LEU 16 3.131 12.422 -10.853 136 HD23 LEU 16 HD23 LEU 16 3.429 12.486 -12.625 137 H PHE 17 HN PHE 17 2.977 9.038 -13.506 138 HA PHE 17 HA PHE 17 3.772 6.464 -12.905 139 HB2 PHE 17 HB1 PHE 17 1.511 7.681 -12.495 140 HB3 PHE 17 HB2 PHE 17 1.069 7.242 -14.181 141 HD1 PHE 17 HD1 PHE 17 2.320 5.754 -10.934 142 HD2 PHE 17 HD2 PHE 17 0.015 5.160 -14.510 143 HE1 PHE 17 HE1 PHE 17 1.495 3.601 -10.044 144 HE2 PHE 17 HE2 PHE 17 -0.815 3.009 -13.616 145 HZ PHE 17 HZ PHE 17 -0.083 2.230 -11.377 146 H CYS 18 HN CYS 18 2.833 7.791 -16.063 147 HA CYS 18 HA CYS 18 2.962 5.558 -17.668 148 HB2 CYS 18 HB1 CYS 18 2.101 7.768 -18.337 149 HB3 CYS 18 HB2 CYS 18 3.709 8.502 -18.129 150 H LEU 19 HN LEU 19 5.801 7.561 -16.559 151 HA LEU 19 HA LEU 19 7.523 5.947 -18.263 152 HB2 LEU 19 HB1 LEU 19 9.372 7.262 -17.700 153 HB3 LEU 19 HB2 LEU 19 7.986 8.318 -18.075 154 HG LEU 19 HG LEU 19 7.740 8.272 -15.355 155 HD11 LEU 19 HD11 LEU 19 9.748 6.782 -14.996 156 HD12 LEU 19 HD12 LEU 19 9.988 8.420 -14.296 157 HD13 LEU 19 HD13 LEU 19 10.777 7.986 -15.853 158 HD21 LEU 19 HD21 LEU 19 8.993 10.427 -15.333 159 HD22 LEU 19 HD22 LEU 19 7.892 10.310 -16.756 160 HD23 LEU 19 HD23 LEU 19 9.677 10.056 -16.955 161 H VAL 20 HN VAL 20 6.827 6.177 -14.748 162 HA VAL 20 HA VAL 20 8.709 4.307 -13.909 163 HB VAL 20 HB VAL 20 6.022 5.150 -12.735 164 HG11 VAL 20 HG11 VAL 20 6.650 2.959 -11.696 165 HG12 VAL 20 HG12 VAL 20 8.343 3.535 -11.461 166 HG13 VAL 20 HG13 VAL 20 6.993 4.289 -10.542 167 HG21 VAL 20 HG21 VAL 20 8.952 5.971 -12.140 168 HG22 VAL 20 HG22 VAL 20 7.746 6.997 -13.001 169 HG23 VAL 20 HG23 VAL 20 7.497 6.570 -11.271 170 H THR 21 HN THR 21 5.316 3.737 -14.989 171 HA THR 21 HA THR 21 5.674 0.877 -14.495 172 HB THR 21 HB THR 21 3.343 0.606 -15.158 173 HG1 THR 21 HG1 THR 21 3.236 3.410 -15.364 174 HG21 THR 21 HG21 THR 21 3.900 1.268 -12.794 175 HG22 THR 21 HG22 THR 21 2.308 1.912 -13.333 176 HG23 THR 21 HG23 THR 21 3.727 3.006 -13.235 177 H LYS 22 HN LYS 22 6.954 2.611 -16.820 178 HA LYS 22 HA LYS 22 7.307 2.575 -18.969 179 HB2 LYS 22 HB1 LYS 22 8.746 0.809 -18.217 180 HB3 LYS 22 HB2 LYS 22 7.458 -0.403 -18.438 181 HG2 LYS 22 HG1 LYS 22 9.207 -0.483 -20.219 182 HG3 LYS 22 HG2 LYS 22 7.564 -0.228 -20.859 183 HD2 LYS 22 HD1 LYS 22 8.064 2.248 -21.099 184 HD3 LYS 22 HD2 LYS 22 9.749 1.927 -20.556 185 HE2 LYS 22 HE1 LYS 22 10.109 0.443 -22.560 186 HE3 LYS 22 HE2 LYS 22 8.376 0.648 -23.031 187 HZ1 LYS 22 HZ1 LYS 22 8.800 3.033 -23.244 188 HZ2 LYS 22 HZ2 LYS 22 9.738 2.113 -24.305 189 HZ3 LYS 22 HZ3 LYS 22 10.442 2.795 -22.921 190 H LYS 23 HN LYS 23 4.977 3.412 -19.090 191 HA LYS 23 HA LYS 23 3.682 1.897 -21.292 192 HB2 LYS 23 HB1 LYS 23 2.540 4.035 -19.410 193 HB3 LYS 23 HB2 LYS 23 1.642 3.259 -20.756 194 HG2 LYS 23 HG1 LYS 23 2.815 1.768 -18.323 195 HG3 LYS 23 HG2 LYS 23 1.130 2.323 -18.436 196 HD2 LYS 23 HD1 LYS 23 0.492 0.743 -19.991 197 HD3 LYS 23 HD2 LYS 23 2.082 0.617 -20.767 198 HE2 LYS 23 HE1 LYS 23 1.418 -0.589 -17.991 199 HE3 LYS 23 HE2 LYS 23 1.415 -1.479 -19.566 200 HZ1 LYS 23 HZ1 LYS 23 3.820 -0.506 -19.729 201 HZ2 LYS 23 HZ2 LYS 23 3.524 -1.871 -18.766 202 HZ3 LYS 23 HZ3 LYS 23 3.714 -0.345 -18.088 203 H CYS 24 HN CYS 24 5.654 4.608 -20.553 204 HA CYS 24 HA CYS 24 4.878 6.042 -22.950 205 HB2 CYS 24 HB1 CYS 24 7.327 6.356 -21.138 206 HB3 CYS 24 HB2 CYS 24 6.935 7.428 -22.523 Start of MODEL 6 1 H1 PHE 1 HN PHE 1 3.646 -0.029 -1.055 2 HA PHE 1 HA PHE 1 0.941 -0.927 -0.626 3 HB2 PHE 1 HB1 PHE 1 1.835 0.027 1.584 4 HB3 PHE 1 HB2 PHE 1 2.098 1.594 0.753 5 HD1 PHE 1 HD1 PHE 1 0.343 3.159 0.885 6 HD2 PHE 1 HD2 PHE 1 -0.569 -1.006 1.403 7 HE1 PHE 1 HE1 PHE 1 -1.982 3.745 1.523 8 HE2 PHE 1 HE2 PHE 1 -2.894 -0.422 2.021 9 HZ PHE 1 HZ PHE 1 -3.600 1.953 2.091 10 H LEU 2 HN LEU 2 -0.607 0.298 -1.852 11 HA LEU 2 HA LEU 2 0.385 2.448 -3.511 12 HB2 LEU 2 HB1 LEU 2 0.398 1.393 -5.622 13 HB3 LEU 2 HB2 LEU 2 1.374 0.370 -4.544 14 HG LEU 2 HG LEU 2 -1.538 -0.211 -5.396 15 HD11 LEU 2 HD11 LEU 2 -0.534 -1.928 -6.884 16 HD12 LEU 2 HD12 LEU 2 1.119 -1.407 -6.388 17 HD13 LEU 2 HD13 LEU 2 0.055 -0.274 -7.305 18 HD21 LEU 2 HD21 LEU 2 0.510 -1.971 -3.897 19 HD22 LEU 2 HD22 LEU 2 -1.047 -2.555 -4.589 20 HD23 LEU 2 HD23 LEU 2 -1.061 -1.363 -3.245 21 HA PRO 3 HA PRO 3 -4.162 1.844 -4.667 22 HB2 PRO 3 HB1 PRO 3 -6.003 2.140 -2.580 23 HB3 PRO 3 HB2 PRO 3 -5.355 0.546 -3.114 24 HG2 PRO 3 HG1 PRO 3 -4.335 2.279 -0.797 25 HG3 PRO 3 HG2 PRO 3 -4.740 0.518 -0.777 26 HD2 PRO 3 HD1 PRO 3 -2.155 1.408 -1.105 27 HD3 PRO 3 HD2 PRO 3 -2.761 -0.040 -2.040 28 H ILE 4 HN ILE 4 -3.225 3.955 -1.922 29 HA ILE 4 HA ILE 4 -4.495 6.267 -2.913 30 HB ILE 4 HB ILE 4 -2.971 7.532 -1.442 31 HG12 ILE 4 HG11 ILE 4 -1.755 4.773 -0.753 32 HG13 ILE 4 HG12 ILE 4 -0.916 6.086 -1.648 33 HG21 ILE 4 HG21 ILE 4 -4.273 5.036 -0.154 34 HG22 ILE 4 HG22 ILE 4 -3.990 6.635 0.617 35 HG23 ILE 4 HG23 ILE 4 -5.165 6.495 -0.729 36 HD11 ILE 4 HD1 ILE 4 -0.201 6.126 0.699 37 HD12 ILE 4 HD2 ILE 4 -1.160 7.606 0.347 38 HD13 ILE 4 HD3 ILE 4 -1.897 6.251 1.274 39 H LEU 5 HN LEU 5 -1.299 4.880 -3.598 40 HA LEU 5 HA LEU 5 -0.298 6.999 -5.156 41 HB2 LEU 5 HB1 LEU 5 0.962 5.124 -4.031 42 HB3 LEU 5 HB2 LEU 5 0.396 4.004 -5.301 43 HG LEU 5 HG LEU 5 1.978 6.566 -5.932 44 HD11 LEU 5 HD11 LEU 5 3.262 5.270 -4.239 45 HD12 LEU 5 HD12 LEU 5 4.061 5.186 -5.850 46 HD13 LEU 5 HD13 LEU 5 3.111 3.781 -5.240 47 HD21 LEU 5 HD21 LEU 5 2.782 5.214 -7.913 48 HD22 LEU 5 HD22 LEU 5 1.005 5.472 -7.955 49 HD23 LEU 5 HD23 LEU 5 1.674 3.877 -7.430 50 H ALA 6 HN ALA 6 -2.080 3.996 -6.080 51 HA ALA 6 HA ALA 6 -2.188 4.518 -8.825 52 HB1 ALA 6 HB1 ALA 6 -4.172 3.022 -7.000 53 HB2 ALA 6 HB2 ALA 6 -4.070 2.852 -8.794 54 HB3 ALA 6 HB3 ALA 6 -2.703 2.309 -7.751 55 H SER 7 HN SER 7 -4.472 5.470 -6.225 56 HA SER 7 HA SER 7 -6.350 6.758 -7.862 57 HB2 SER 7 HB1 SER 7 -6.694 6.103 -5.467 58 HB3 SER 7 HB2 SER 7 -5.582 7.416 -4.958 59 HG SER 7 HG1 SER 7 -7.920 7.875 -4.946 60 H LEU 8 HN LEU 8 -3.492 8.275 -6.146 61 HA LEU 8 HA LEU 8 -4.024 10.786 -7.339 62 HB2 LEU 8 HB1 LEU 8 -2.024 11.630 -6.397 63 HB3 LEU 8 HB2 LEU 8 -2.840 10.559 -5.224 64 HG LEU 8 HG LEU 8 -1.132 8.734 -6.185 65 HD11 LEU 8 HD11 LEU 8 -0.040 10.221 -7.917 66 HD12 LEU 8 HD12 LEU 8 1.123 9.745 -6.627 67 HD13 LEU 8 HD13 LEU 8 0.394 11.392 -6.618 68 HD21 LEU 8 HD21 LEU 8 0.406 9.330 -4.306 69 HD22 LEU 8 HD22 LEU 8 -1.323 9.474 -3.822 70 HD23 LEU 8 HD23 LEU 8 -0.361 10.956 -4.189 71 H ALA 9 HN ALA 9 -1.990 8.065 -8.437 72 HA ALA 9 HA ALA 9 -0.793 9.332 -10.595 73 HB1 ALA 9 HB1 ALA 9 -1.674 6.409 -10.237 74 HB2 ALA 9 HB2 ALA 9 -0.523 6.992 -11.498 75 HB3 ALA 9 HB3 ALA 9 -0.092 7.109 -9.749 76 H ALA 10 HN ALA 10 -3.997 7.641 -10.487 77 HA ALA 10 HA ALA 10 -4.643 8.261 -13.182 78 HB1 ALA 10 HB1 ALA 10 -6.968 7.655 -12.448 79 HB2 ALA 10 HB2 ALA 10 -5.761 6.465 -11.836 80 HB3 ALA 10 HB3 ALA 10 -6.424 7.712 -10.726 81 H LYS 11 HN LYS 11 -5.373 9.958 -10.100 82 HA LYS 11 HA LYS 11 -7.043 11.884 -11.206 83 HB2 LYS 11 HB1 LYS 11 -6.873 11.115 -8.810 84 HB3 LYS 11 HB2 LYS 11 -5.359 12.050 -8.652 85 HG2 LYS 11 HG1 LYS 11 -6.680 14.170 -9.143 86 HG3 LYS 11 HG2 LYS 11 -8.162 13.177 -9.304 87 HD2 LYS 11 HD1 LYS 11 -7.872 12.362 -6.948 88 HD3 LYS 11 HD2 LYS 11 -6.393 13.365 -6.783 89 HE2 LYS 11 HE1 LYS 11 -7.765 15.461 -7.107 90 HE3 LYS 11 HE2 LYS 11 -9.256 14.453 -7.292 91 HZ1 LYS 11 HZ1 LYS 11 -7.500 14.564 -4.882 92 HZ2 LYS 11 HZ2 LYS 11 -8.883 13.603 -5.059 93 HZ3 LYS 11 HZ3 LYS 11 -9.021 15.292 -5.050 94 H PHE 12 HN PHE 12 -3.507 12.183 -10.573 95 HA PHE 12 HA PHE 12 -3.450 14.363 -12.506 96 HB2 PHE 12 HB1 PHE 12 -2.436 16.053 -10.973 97 HB3 PHE 12 HB2 PHE 12 -4.099 15.613 -10.470 98 HD1 PHE 12 HD1 PHE 12 -4.503 14.455 -8.393 99 HD2 PHE 12 HD2 PHE 12 -0.490 15.280 -9.645 100 HE1 PHE 12 HE1 PHE 12 -3.682 13.944 -6.097 101 HE2 PHE 12 HE2 PHE 12 0.335 14.772 -7.367 102 HZ PHE 12 HZ PHE 12 -1.261 14.110 -5.590 103 H GLY 13 HN GLY 13 -1.909 11.691 -11.181 104 HA2 GLY 13 HA1 GLY 13 0.771 12.641 -11.883 105 HA3 GLY 13 HA2 GLY 13 0.310 11.139 -11.058 106 HA PRO 14 HA PRO 14 -0.287 8.963 -14.708 107 HB2 PRO 14 HB1 PRO 14 -1.327 9.708 -17.196 108 HB3 PRO 14 HB2 PRO 14 -2.341 9.488 -15.718 109 HG2 PRO 14 HG1 PRO 14 -1.180 12.135 -16.759 110 HG3 PRO 14 HG2 PRO 14 -2.900 11.757 -16.327 111 HD2 PRO 14 HD1 PRO 14 -1.232 12.945 -14.496 112 HD3 PRO 14 HD2 PRO 14 -2.384 11.628 -13.981 113 H LYS 15 HN LYS 15 1.210 11.965 -15.807 114 HA LYS 15 HA LYS 15 2.738 10.819 -17.882 115 HB2 LYS 15 HB1 LYS 15 2.173 13.292 -17.307 116 HB3 LYS 15 HB2 LYS 15 3.644 13.283 -16.303 117 HG2 LYS 15 HG1 LYS 15 3.548 12.492 -19.296 118 HG3 LYS 15 HG2 LYS 15 3.716 14.187 -18.742 119 HD2 LYS 15 HD1 LYS 15 5.876 13.662 -17.615 120 HD3 LYS 15 HD2 LYS 15 5.702 11.937 -18.033 121 HE2 LYS 15 HE1 LYS 15 7.321 12.985 -19.559 122 HE3 LYS 15 HE2 LYS 15 5.863 12.425 -20.468 123 HZ1 LYS 15 HZ1 LYS 15 5.037 14.688 -20.434 124 HZ2 LYS 15 HZ2 LYS 15 6.571 14.625 -21.147 125 HZ3 LYS 15 HZ3 LYS 15 6.395 15.222 -19.571 126 H LEU 16 HN LEU 16 3.622 11.305 -14.390 127 HA LEU 16 HA LEU 16 6.146 10.006 -14.743 128 HB2 LEU 16 HB1 LEU 16 6.292 9.907 -12.291 129 HB3 LEU 16 HB2 LEU 16 6.115 11.547 -12.947 130 HG LEU 16 HG LEU 16 3.618 10.098 -11.954 131 HD11 LEU 16 HD11 LEU 16 4.068 10.908 -9.650 132 HD12 LEU 16 HD12 LEU 16 5.700 11.478 -10.153 133 HD13 LEU 16 HD13 LEU 16 5.313 9.717 -10.174 134 HD21 LEU 16 HD21 LEU 16 4.578 13.042 -11.889 135 HD22 LEU 16 HD22 LEU 16 3.021 12.441 -11.230 136 HD23 LEU 16 HD23 LEU 16 3.323 12.371 -13.002 137 H PHE 17 HN PHE 17 2.896 8.880 -13.703 138 HA PHE 17 HA PHE 17 3.688 6.285 -13.077 139 HB2 PHE 17 HB1 PHE 17 1.473 7.342 -12.498 140 HB3 PHE 17 HB2 PHE 17 1.016 7.303 -14.234 141 HD1 PHE 17 HD1 PHE 17 2.636 4.681 -11.997 142 HD2 PHE 17 HD2 PHE 17 -0.797 5.818 -14.324 143 HE1 PHE 17 HE1 PHE 17 1.641 2.464 -11.611 144 HE2 PHE 17 HE2 PHE 17 -1.804 3.596 -13.912 145 HZ PHE 17 HZ PHE 17 -0.582 1.911 -12.562 146 H CYS 18 HN CYS 18 2.859 7.671 -16.266 147 HA CYS 18 HA CYS 18 2.937 5.342 -17.783 148 HB2 CYS 18 HB1 CYS 18 2.106 7.583 -18.526 149 HB3 CYS 18 HB2 CYS 18 3.774 8.207 -18.515 150 H LEU 19 HN LEU 19 5.734 7.576 -17.021 151 HA LEU 19 HA LEU 19 7.490 5.867 -18.475 152 HB2 LEU 19 HB1 LEU 19 9.299 7.304 -17.884 153 HB3 LEU 19 HB2 LEU 19 7.868 8.229 -18.409 154 HG LEU 19 HG LEU 19 7.441 8.345 -15.725 155 HD11 LEU 19 HD11 LEU 19 10.521 8.298 -16.007 156 HD12 LEU 19 HD12 LEU 19 9.548 7.060 -15.136 157 HD13 LEU 19 HD13 LEU 19 9.594 8.755 -14.534 158 HD21 LEU 19 HD21 LEU 19 8.499 10.604 -15.797 159 HD22 LEU 19 HD22 LEU 19 7.531 10.266 -17.283 160 HD23 LEU 19 HD23 LEU 19 9.337 10.165 -17.332 161 H VAL 20 HN VAL 20 6.827 6.128 -14.954 162 HA VAL 20 HA VAL 20 8.946 4.587 -14.102 163 HB VAL 20 HB VAL 20 6.208 5.122 -12.906 164 HG11 VAL 20 HG11 VAL 20 6.982 2.994 -11.832 165 HG12 VAL 20 HG12 VAL 20 8.632 3.687 -11.608 166 HG13 VAL 20 HG13 VAL 20 7.236 4.363 -10.699 167 HG21 VAL 20 HG21 VAL 20 7.837 7.066 -13.204 168 HG22 VAL 20 HG22 VAL 20 7.557 6.673 -11.469 169 HG23 VAL 20 HG23 VAL 20 9.071 6.137 -12.278 170 H THR 21 HN THR 21 5.720 3.323 -15.118 171 HA THR 21 HA THR 21 6.881 0.620 -14.696 172 HB THR 21 HB THR 21 4.903 -0.404 -14.470 173 HG1 THR 21 HG1 THR 21 3.849 0.349 -16.169 174 HG21 THR 21 HG21 THR 21 4.333 2.418 -13.320 175 HG22 THR 21 HG22 THR 21 5.389 1.171 -12.554 176 HG23 THR 21 HG23 THR 21 3.631 0.852 -12.767 177 H LYS 22 HN LYS 22 7.447 2.488 -17.029 178 HA LYS 22 HA LYS 22 7.652 2.439 -19.205 179 HB2 LYS 22 HB1 LYS 22 9.232 0.788 -18.547 180 HB3 LYS 22 HB2 LYS 22 7.993 -0.493 -18.546 181 HG2 LYS 22 HG1 LYS 22 9.622 -0.629 -20.455 182 HG3 LYS 22 HG2 LYS 22 7.902 -0.626 -20.903 183 HD2 LYS 22 HD1 LYS 22 8.121 1.882 -21.443 184 HD3 LYS 22 HD2 LYS 22 9.901 1.690 -21.250 185 HE2 LYS 22 HE1 LYS 22 9.892 -0.024 -23.109 186 HE3 LYS 22 HE2 LYS 22 8.087 0.057 -23.179 187 HZ1 LYS 22 HZ1 LYS 22 9.031 1.386 -24.902 188 HZ2 LYS 22 HZ2 LYS 22 9.972 2.280 -23.806 189 HZ3 LYS 22 HZ3 LYS 22 8.286 2.399 -23.776 190 H LYS 23 HN LYS 23 5.092 3.019 -18.908 191 HA LYS 23 HA LYS 23 3.616 1.333 -20.842 192 HB2 LYS 23 HB1 LYS 23 2.674 3.691 -19.131 193 HB3 LYS 23 HB2 LYS 23 1.652 2.686 -20.213 194 HG2 LYS 23 HG1 LYS 23 2.263 0.649 -18.884 195 HG3 LYS 23 HG2 LYS 23 3.160 1.668 -17.726 196 HD2 LYS 23 HD1 LYS 23 0.160 1.960 -18.418 197 HD3 LYS 23 HD2 LYS 23 0.744 0.954 -17.068 198 HE2 LYS 23 HE1 LYS 23 1.219 4.014 -17.279 199 HE3 LYS 23 HE2 LYS 23 -0.134 3.238 -16.375 200 HZ1 LYS 23 HZ1 LYS 23 2.466 3.699 -15.483 201 HZ2 LYS 23 HZ2 LYS 23 2.332 2.048 -15.609 202 HZ3 LYS 23 HZ3 LYS 23 1.218 2.913 -14.678 203 H CYS 24 HN CYS 24 5.704 3.969 -20.863 204 HA CYS 24 HA CYS 24 4.381 5.316 -23.101 205 HB2 CYS 24 HB1 CYS 24 7.100 5.840 -21.790 206 HB3 CYS 24 HB2 CYS 24 6.373 6.830 -23.099 Start of MODEL 7 1 H1 PHE 1 HN PHE 1 2.862 -2.251 -1.880 2 HA PHE 1 HA PHE 1 0.873 -1.947 -3.481 3 HB2 PHE 1 HB1 PHE 1 0.668 -3.081 -1.257 4 HB3 PHE 1 HB2 PHE 1 0.596 -1.488 -0.436 5 HD1 PHE 1 HD1 PHE 1 -1.410 -2.176 0.667 6 HD2 PHE 1 HD2 PHE 1 -1.346 -2.043 -3.641 7 HE1 PHE 1 HE1 PHE 1 -3.877 -2.281 0.617 8 HE2 PHE 1 HE2 PHE 1 -3.797 -2.143 -3.674 9 HZ PHE 1 HZ PHE 1 -5.077 -2.260 -1.552 10 H LEU 2 HN LEU 2 0.992 0.552 -0.929 11 HA LEU 2 HA LEU 2 0.238 2.639 -0.847 12 HB2 LEU 2 HB1 LEU 2 1.972 2.819 -3.333 13 HB3 LEU 2 HB2 LEU 2 1.351 4.221 -2.406 14 HG LEU 2 HG LEU 2 2.501 3.213 -0.322 15 HD11 LEU 2 HD11 LEU 2 4.644 1.967 -0.843 16 HD12 LEU 2 HD12 LEU 2 4.071 1.726 -2.533 17 HD13 LEU 2 HD13 LEU 2 3.188 0.965 -1.157 18 HD21 LEU 2 HD21 LEU 2 4.167 4.331 -2.659 19 HD22 LEU 2 HD22 LEU 2 4.613 4.381 -0.915 20 HD23 LEU 2 HD23 LEU 2 3.181 5.304 -1.499 21 HA PRO 3 HA PRO 3 -3.019 2.116 -4.122 22 HB2 PRO 3 HB1 PRO 3 -5.360 2.066 -2.560 23 HB3 PRO 3 HB2 PRO 3 -4.303 0.627 -2.817 24 HG2 PRO 3 HG1 PRO 3 -4.217 2.578 -0.446 25 HG3 PRO 3 HG2 PRO 3 -4.306 0.770 -0.404 26 HD2 PRO 3 HD1 PRO 3 -1.889 2.057 -0.169 27 HD3 PRO 3 HD2 PRO 3 -2.034 0.548 -1.181 28 H ILE 4 HN ILE 4 -3.097 4.450 -1.433 29 HA ILE 4 HA ILE 4 -4.660 6.386 -2.746 30 HB ILE 4 HB ILE 4 -3.669 8.008 -1.152 31 HG12 ILE 4 HG11 ILE 4 -2.092 5.570 -0.085 32 HG13 ILE 4 HG12 ILE 4 -1.370 6.974 -0.944 33 HG21 ILE 4 HG21 ILE 4 -5.714 6.589 -0.727 34 HG22 ILE 4 HG22 ILE 4 -4.674 5.343 0.061 35 HG23 ILE 4 HG23 ILE 4 -4.823 6.985 0.778 36 HD11 ILE 4 HD1 ILE 4 -2.830 7.077 1.774 37 HD12 ILE 4 HD2 ILE 4 -1.071 7.269 1.474 38 HD13 ILE 4 HD3 ILE 4 -2.224 8.512 0.870 39 H LEU 5 HN LEU 5 -1.152 5.737 -2.924 40 HA LEU 5 HA LEU 5 -0.544 8.035 -4.480 41 HB2 LEU 5 HB1 LEU 5 1.075 6.737 -3.080 42 HB3 LEU 5 HB2 LEU 5 1.020 5.403 -4.268 43 HG LEU 5 HG LEU 5 1.720 8.253 -5.154 44 HD11 LEU 5 HD11 LEU 5 4.116 7.845 -4.638 45 HD12 LEU 5 HD12 LEU 5 3.700 6.268 -3.874 46 HD13 LEU 5 HD13 LEU 5 3.124 7.809 -3.135 47 HD21 LEU 5 HD21 LEU 5 2.663 5.464 -6.103 48 HD22 LEU 5 HD22 LEU 5 3.227 7.038 -6.773 49 HD23 LEU 5 HD23 LEU 5 1.511 6.543 -6.978 50 H ALA 6 HN ALA 6 -1.316 4.614 -5.304 51 HA ALA 6 HA ALA 6 -1.124 4.905 -8.080 52 HB1 ALA 6 HB1 ALA 6 -1.262 2.714 -6.860 53 HB2 ALA 6 HB2 ALA 6 -2.966 3.077 -6.417 54 HB3 ALA 6 HB3 ALA 6 -2.519 2.823 -8.147 55 H SER 7 HN SER 7 -3.967 5.413 -5.948 56 HA SER 7 HA SER 7 -5.788 6.140 -7.957 57 HB2 SER 7 HB1 SER 7 -6.371 5.543 -5.586 58 HB3 SER 7 HB2 SER 7 -5.694 7.113 -5.041 59 HG SER 7 HG1 SER 7 -8.014 7.092 -5.402 60 H LEU 8 HN LEU 8 -3.680 8.368 -5.949 61 HA LEU 8 HA LEU 8 -4.595 10.617 -7.381 62 HB2 LEU 8 HB1 LEU 8 -3.093 11.988 -6.213 63 HB3 LEU 8 HB2 LEU 8 -3.699 10.728 -5.101 64 HG LEU 8 HG LEU 8 -1.436 9.479 -5.769 65 HD11 LEU 8 HD11 LEU 8 -0.608 11.206 -7.432 66 HD12 LEU 8 HD12 LEU 8 0.478 11.059 -6.008 67 HD13 LEU 8 HD13 LEU 8 -0.652 12.452 -6.126 68 HD21 LEU 8 HD21 LEU 8 -1.576 11.855 -3.802 69 HD22 LEU 8 HD22 LEU 8 -0.377 10.510 -3.755 70 HD23 LEU 8 HD23 LEU 8 -2.123 10.165 -3.481 71 H ALA 9 HN ALA 9 -1.821 8.456 -7.988 72 HA ALA 9 HA ALA 9 -0.683 9.910 -10.063 73 HB1 ALA 9 HB1 ALA 9 0.413 7.754 -10.658 74 HB2 ALA 9 HB2 ALA 9 0.417 8.008 -8.877 75 HB3 ALA 9 HB3 ALA 9 -0.767 6.872 -9.611 76 H ALA 10 HN ALA 10 -3.332 7.424 -10.228 77 HA ALA 10 HA ALA 10 -3.688 7.695 -13.026 78 HB1 ALA 10 HB1 ALA 10 -5.911 6.623 -12.555 79 HB2 ALA 10 HB2 ALA 10 -4.586 5.797 -11.652 80 HB3 ALA 10 HB3 ALA 10 -5.674 6.938 -10.793 81 H LYS 11 HN LYS 11 -5.275 9.370 -10.284 82 HA LYS 11 HA LYS 11 -7.064 10.876 -11.782 83 HB2 LYS 11 HB1 LYS 11 -7.478 10.383 -9.509 84 HB3 LYS 11 HB2 LYS 11 -5.913 11.031 -8.977 85 HG2 LYS 11 HG1 LYS 11 -7.788 13.043 -10.244 86 HG3 LYS 11 HG2 LYS 11 -8.311 12.329 -8.688 87 HD2 LYS 11 HD1 LYS 11 -6.219 12.927 -7.577 88 HD3 LYS 11 HD2 LYS 11 -5.520 13.523 -9.116 89 HE2 LYS 11 HE1 LYS 11 -7.195 15.383 -9.204 90 HE3 LYS 11 HE2 LYS 11 -7.936 14.798 -7.658 91 HZ1 LYS 11 HZ1 LYS 11 -5.817 15.146 -6.569 92 HZ2 LYS 11 HZ2 LYS 11 -6.329 16.584 -7.309 93 HZ3 LYS 11 HZ3 LYS 11 -5.099 15.654 -8.009 94 H PHE 12 HN PHE 12 -3.756 11.926 -10.744 95 HA PHE 12 HA PHE 12 -3.871 13.761 -12.961 96 HB2 PHE 12 HB1 PHE 12 -3.589 15.876 -11.960 97 HB3 PHE 12 HB2 PHE 12 -5.072 15.140 -11.293 98 HD1 PHE 12 HD1 PHE 12 -3.936 17.549 -10.133 99 HD2 PHE 12 HD2 PHE 12 -2.897 13.457 -9.289 100 HE1 PHE 12 HE1 PHE 12 -3.183 18.195 -7.863 101 HE2 PHE 12 HE2 PHE 12 -2.173 14.103 -7.045 102 HZ PHE 12 HZ PHE 12 -2.308 16.467 -6.312 103 H GLY 13 HN GLY 13 -2.054 11.565 -11.634 104 HA2 GLY 13 HA1 GLY 13 0.469 12.996 -12.230 105 HA3 GLY 13 HA2 GLY 13 0.285 11.494 -11.294 106 HA PRO 14 HA PRO 14 -0.324 9.006 -14.727 107 HB2 PRO 14 HB1 PRO 14 -1.434 9.503 -17.253 108 HB3 PRO 14 HB2 PRO 14 -2.414 9.339 -15.747 109 HG2 PRO 14 HG1 PRO 14 -1.401 11.961 -16.990 110 HG3 PRO 14 HG2 PRO 14 -3.098 11.526 -16.518 111 HD2 PRO 14 HD1 PRO 14 -1.511 12.925 -14.769 112 HD3 PRO 14 HD2 PRO 14 -2.553 11.549 -14.175 113 H LYS 15 HN LYS 15 0.995 11.958 -16.124 114 HA LYS 15 HA LYS 15 2.485 10.765 -18.177 115 HB2 LYS 15 HB1 LYS 15 1.904 13.320 -17.377 116 HB3 LYS 15 HB2 LYS 15 3.616 13.266 -16.899 117 HG2 LYS 15 HG1 LYS 15 2.443 12.637 -19.700 118 HG3 LYS 15 HG2 LYS 15 3.106 14.215 -19.189 119 HD2 LYS 15 HD1 LYS 15 5.356 13.167 -18.828 120 HD3 LYS 15 HD2 LYS 15 4.712 11.596 -19.420 121 HE2 LYS 15 HE1 LYS 15 4.175 12.639 -21.652 122 HE3 LYS 15 HE2 LYS 15 4.783 14.234 -21.059 123 HZ1 LYS 15 HZ1 LYS 15 6.421 13.063 -22.368 124 HZ2 LYS 15 HZ2 LYS 15 6.394 11.738 -21.312 125 HZ3 LYS 15 HZ3 LYS 15 6.960 13.245 -20.774 126 H LEU 16 HN LEU 16 3.499 11.492 -14.781 127 HA LEU 16 HA LEU 16 6.058 10.246 -15.149 128 HB2 LEU 16 HB1 LEU 16 6.332 10.432 -12.713 129 HB3 LEU 16 HB2 LEU 16 6.059 11.987 -13.528 130 HG LEU 16 HG LEU 16 3.680 10.564 -12.242 131 HD11 LEU 16 HD11 LEU 16 5.792 12.219 -10.730 132 HD12 LEU 16 HD12 LEU 16 5.482 10.454 -10.534 133 HD13 LEU 16 HD13 LEU 16 4.216 11.648 -10.071 134 HD21 LEU 16 HD21 LEU 16 4.496 13.537 -12.536 135 HD22 LEU 16 HD22 LEU 16 2.994 12.933 -11.756 136 HD23 LEU 16 HD23 LEU 16 3.236 12.697 -13.522 137 H PHE 17 HN PHE 17 2.887 9.204 -13.846 138 HA PHE 17 HA PHE 17 3.721 6.774 -12.824 139 HB2 PHE 17 HB1 PHE 17 1.485 8.018 -12.531 140 HB3 PHE 17 HB2 PHE 17 1.028 7.469 -14.173 141 HD1 PHE 17 HD1 PHE 17 2.792 5.334 -11.594 142 HD2 PHE 17 HD2 PHE 17 -0.965 6.354 -13.437 143 HE1 PHE 17 HE1 PHE 17 1.721 3.439 -10.470 144 HE2 PHE 17 HE2 PHE 17 -2.036 4.450 -12.284 145 HZ PHE 17 HZ PHE 17 -0.693 2.985 -10.799 146 H CYS 18 HN CYS 18 2.663 7.560 -16.134 147 HA CYS 18 HA CYS 18 2.761 5.050 -17.301 148 HB2 CYS 18 HB1 CYS 18 1.740 7.089 -18.286 149 HB3 CYS 18 HB2 CYS 18 3.338 7.853 -18.421 150 H LEU 19 HN LEU 19 5.514 7.436 -16.980 151 HA LEU 19 HA LEU 19 7.236 5.603 -18.366 152 HB2 LEU 19 HB1 LEU 19 9.027 7.132 -18.126 153 HB3 LEU 19 HB2 LEU 19 7.538 7.972 -18.635 154 HG LEU 19 HG LEU 19 7.333 8.449 -15.977 155 HD11 LEU 19 HD11 LEU 19 10.386 8.319 -16.468 156 HD12 LEU 19 HD12 LEU 19 9.473 7.226 -15.368 157 HD13 LEU 19 HD13 LEU 19 9.569 8.985 -15.009 158 HD21 LEU 19 HD21 LEU 19 7.324 10.149 -17.777 159 HD22 LEU 19 HD22 LEU 19 9.124 10.017 -17.932 160 HD23 LEU 19 HD23 LEU 19 8.392 10.660 -16.416 161 H VAL 20 HN VAL 20 6.809 6.378 -14.873 162 HA VAL 20 HA VAL 20 8.861 4.720 -13.956 163 HB VAL 20 HB VAL 20 6.268 5.658 -12.653 164 HG11 VAL 20 HG11 VAL 20 7.454 5.114 -10.464 165 HG12 VAL 20 HG12 VAL 20 7.045 3.633 -11.392 166 HG13 VAL 20 HG13 VAL 20 8.735 4.262 -11.393 167 HG21 VAL 20 HG21 VAL 20 7.830 7.281 -11.536 168 HG22 VAL 20 HG22 VAL 20 9.217 6.590 -12.447 169 HG23 VAL 20 HG23 VAL 20 7.910 7.469 -13.322 170 H THR 21 HN THR 21 5.420 3.913 -14.585 171 HA THR 21 HA THR 21 6.057 1.106 -13.937 172 HB THR 21 HB THR 21 3.725 0.571 -14.037 173 HG1 THR 21 HG1 THR 21 3.367 3.363 -14.401 174 HG21 THR 21 HG21 THR 21 4.787 1.380 -11.904 175 HG22 THR 21 HG22 THR 21 3.047 1.828 -12.005 176 HG23 THR 21 HG23 THR 21 4.316 3.069 -12.304 177 H LYS 22 HN LYS 22 6.843 2.718 -16.427 178 HA LYS 22 HA LYS 22 7.674 2.120 -18.283 179 HB2 LYS 22 HB1 LYS 22 8.466 0.344 -16.777 180 HB3 LYS 22 HB2 LYS 22 7.120 -0.699 -17.295 181 HG2 LYS 22 HG1 LYS 22 9.165 -1.456 -18.237 182 HG3 LYS 22 HG2 LYS 22 8.119 -0.952 -19.565 183 HD2 LYS 22 HD1 LYS 22 10.485 0.671 -18.366 184 HD3 LYS 22 HD2 LYS 22 10.620 -0.441 -19.750 185 HE2 LYS 22 HE1 LYS 22 9.161 2.271 -19.700 186 HE3 LYS 22 HE2 LYS 22 10.613 1.798 -20.648 187 HZ1 LYS 22 HZ1 LYS 22 9.241 0.300 -21.952 188 HZ2 LYS 22 HZ2 LYS 22 8.517 1.845 -21.893 189 HZ3 LYS 22 HZ3 LYS 22 7.902 0.614 -20.953 190 H LYS 23 HN LYS 23 4.641 2.461 -18.444 191 HA LYS 23 HA LYS 23 4.062 0.909 -20.874 192 HB2 LYS 23 HB1 LYS 23 2.509 2.908 -19.212 193 HB3 LYS 23 HB2 LYS 23 1.993 2.559 -20.886 194 HG2 LYS 23 HG1 LYS 23 1.185 0.520 -20.465 195 HG3 LYS 23 HG2 LYS 23 2.549 0.041 -19.424 196 HD2 LYS 23 HD1 LYS 23 0.298 1.908 -18.474 197 HD3 LYS 23 HD2 LYS 23 0.251 0.118 -18.302 198 HE2 LYS 23 HE1 LYS 23 2.358 0.128 -16.959 199 HE3 LYS 23 HE2 LYS 23 2.495 1.912 -17.156 200 HZ1 LYS 23 HZ1 LYS 23 0.229 2.001 -16.053 201 HZ2 LYS 23 HZ2 LYS 23 1.601 1.617 -15.146 202 HZ3 LYS 23 HZ3 LYS 23 0.510 0.383 -15.577 203 H CYS 24 HN CYS 24 5.480 4.038 -20.111 204 HA CYS 24 HA CYS 24 5.084 4.974 -22.828 205 HB2 CYS 24 HB1 CYS 24 6.921 6.046 -20.632 206 HB3 CYS 24 HB2 CYS 24 6.630 6.836 -22.219 Start of MODEL 8 1 H1 PHE 1 HN PHE 1 0.091 0.613 1.005 2 HA PHE 1 HA PHE 1 0.152 2.870 0.037 3 HB2 PHE 1 HB1 PHE 1 2.356 0.962 -1.021 4 HB3 PHE 1 HB2 PHE 1 2.507 2.759 -0.892 5 HD1 PHE 1 HD1 PHE 1 2.121 3.805 1.449 6 HD2 PHE 1 HD2 PHE 1 2.938 -0.371 0.828 7 HE1 PHE 1 HE1 PHE 1 2.836 3.590 3.809 8 HE2 PHE 1 HE2 PHE 1 3.654 -0.578 3.190 9 HZ PHE 1 HZ PHE 1 3.600 1.401 4.681 10 H LEU 2 HN LEU 2 0.158 0.167 -2.220 11 HA LEU 2 HA LEU 2 0.241 1.609 -4.587 12 HB2 LEU 2 HB1 LEU 2 -0.990 -1.151 -4.056 13 HB3 LEU 2 HB2 LEU 2 -0.700 -0.452 -5.677 14 HG LEU 2 HG LEU 2 0.996 -2.005 -5.303 15 HD11 LEU 2 HD11 LEU 2 2.318 0.727 -4.774 16 HD12 LEU 2 HD12 LEU 2 1.737 0.137 -6.379 17 HD13 LEU 2 HD13 LEU 2 3.075 -0.720 -5.524 18 HD21 LEU 2 HD21 LEU 2 0.880 -2.194 -2.797 19 HD22 LEU 2 HD22 LEU 2 1.891 -0.697 -2.669 20 HD23 LEU 2 HD23 LEU 2 2.552 -2.162 -3.462 21 HA PRO 3 HA PRO 3 -4.361 1.646 -5.252 22 HB2 PRO 3 HB1 PRO 3 -6.205 1.756 -3.128 23 HB3 PRO 3 HB2 PRO 3 -5.657 0.231 -3.918 24 HG2 PRO 3 HG1 PRO 3 -4.536 1.507 -1.364 25 HG3 PRO 3 HG2 PRO 3 -5.046 -0.209 -1.620 26 HD2 PRO 3 HD1 PRO 3 -2.420 0.528 -1.808 27 HD3 PRO 3 HD2 PRO 3 -3.107 -0.655 -3.013 28 H ILE 4 HN ILE 4 -3.397 3.412 -2.252 29 HA ILE 4 HA ILE 4 -4.722 5.795 -3.061 30 HB ILE 4 HB ILE 4 -3.394 6.961 -1.358 31 HG12 ILE 4 HG11 ILE 4 -2.201 4.179 -0.750 32 HG13 ILE 4 HG12 ILE 4 -1.299 5.549 -1.473 33 HG21 ILE 4 HG21 ILE 4 -5.622 5.838 -0.970 34 HG22 ILE 4 HG22 ILE 4 -4.763 4.340 -0.444 35 HG23 ILE 4 HG23 ILE 4 -4.597 5.860 0.502 36 HD11 ILE 4 HD1 ILE 4 -0.816 5.448 0.932 37 HD12 ILE 4 HD2 ILE 4 -1.769 6.936 0.591 38 HD13 ILE 4 HD3 ILE 4 -2.562 5.505 1.345 39 H LEU 5 HN LEU 5 -1.376 4.613 -3.581 40 HA LEU 5 HA LEU 5 -0.433 6.866 -4.932 41 HB2 LEU 5 HB1 LEU 5 0.858 4.949 -3.966 42 HB3 LEU 5 HB2 LEU 5 0.344 3.914 -5.321 43 HG LEU 5 HG LEU 5 1.858 6.562 -5.745 44 HD11 LEU 5 HD11 LEU 5 3.089 3.786 -5.201 45 HD12 LEU 5 HD12 LEU 5 3.147 5.212 -4.099 46 HD13 LEU 5 HD13 LEU 5 3.994 5.270 -5.687 47 HD21 LEU 5 HD21 LEU 5 0.982 5.554 -7.858 48 HD22 LEU 5 HD22 LEU 5 1.705 3.960 -7.411 49 HD23 LEU 5 HD23 LEU 5 2.767 5.368 -7.783 50 H ALA 6 HN ALA 6 -2.085 3.927 -6.255 51 HA ALA 6 HA ALA 6 -2.072 4.755 -8.928 52 HB1 ALA 6 HB1 ALA 6 -3.884 3.038 -9.196 53 HB2 ALA 6 HB2 ALA 6 -2.551 2.421 -8.150 54 HB3 ALA 6 HB3 ALA 6 -4.082 2.989 -7.401 55 H SER 7 HN SER 7 -4.533 5.332 -6.368 56 HA SER 7 HA SER 7 -6.373 6.707 -7.978 57 HB2 SER 7 HB1 SER 7 -6.820 5.796 -5.676 58 HB3 SER 7 HB2 SER 7 -5.813 7.109 -4.981 59 HG SER 7 HG1 SER 7 -8.115 7.544 -5.031 60 H LEU 8 HN LEU 8 -3.691 8.128 -5.940 61 HA LEU 8 HA LEU 8 -4.274 10.732 -6.865 62 HB2 LEU 8 HB1 LEU 8 -2.370 11.556 -5.727 63 HB3 LEU 8 HB2 LEU 8 -3.171 10.304 -4.737 64 HG LEU 8 HG LEU 8 -1.338 8.694 -5.811 65 HD11 LEU 8 HD11 LEU 8 -0.249 10.415 -7.321 66 HD12 LEU 8 HD12 LEU 8 0.879 9.826 -6.050 67 HD13 LEU 8 HD13 LEU 8 0.098 11.437 -5.873 68 HD21 LEU 8 HD21 LEU 8 -1.655 9.153 -3.395 69 HD22 LEU 8 HD22 LEU 8 -0.746 10.705 -3.548 70 HD23 LEU 8 HD23 LEU 8 0.095 9.133 -3.816 71 H ALA 9 HN ALA 9 -2.057 8.239 -8.171 72 HA ALA 9 HA ALA 9 -0.887 9.833 -10.135 73 HB1 ALA 9 HB1 ALA 9 -1.549 6.830 -10.134 74 HB2 ALA 9 HB2 ALA 9 -0.406 7.641 -11.270 75 HB3 ALA 9 HB3 ALA 9 -0.045 7.581 -9.503 76 H ALA 10 HN ALA 10 -3.941 7.862 -10.349 77 HA ALA 10 HA ALA 10 -4.534 8.633 -12.990 78 HB1 ALA 10 HB1 ALA 10 -6.851 7.849 -12.394 79 HB2 ALA 10 HB2 ALA 10 -5.596 6.707 -11.783 80 HB3 ALA 10 HB3 ALA 10 -6.384 7.854 -10.648 81 H LYS 11 HN LYS 11 -5.495 10.101 -9.874 82 HA LYS 11 HA LYS 11 -7.113 12.114 -10.908 83 HB2 LYS 11 HB1 LYS 11 -7.323 11.348 -8.667 84 HB3 LYS 11 HB2 LYS 11 -5.615 11.665 -8.299 85 HG2 LYS 11 HG1 LYS 11 -7.234 14.107 -9.050 86 HG3 LYS 11 HG2 LYS 11 -7.720 13.275 -7.541 87 HD2 LYS 11 HD1 LYS 11 -5.446 13.350 -6.639 88 HD3 LYS 11 HD2 LYS 11 -4.820 14.047 -8.168 89 HE2 LYS 11 HE1 LYS 11 -6.134 16.146 -7.796 90 HE3 LYS 11 HE2 LYS 11 -6.805 15.464 -6.258 91 HZ1 LYS 11 HZ1 LYS 11 -3.912 15.886 -6.850 92 HZ2 LYS 11 HZ2 LYS 11 -4.562 15.298 -5.409 93 HZ3 LYS 11 HZ3 LYS 11 -4.877 16.894 -5.889 94 H PHE 12 HN PHE 12 -3.553 12.359 -10.220 95 HA PHE 12 HA PHE 12 -3.523 14.484 -12.153 96 HB2 PHE 12 HB1 PHE 12 -2.796 16.372 -10.937 97 HB3 PHE 12 HB2 PHE 12 -4.312 15.797 -10.190 98 HD1 PHE 12 HD1 PHE 12 -2.645 17.806 -8.898 99 HD2 PHE 12 HD2 PHE 12 -2.298 13.521 -8.675 100 HE1 PHE 12 HE1 PHE 12 -1.566 17.997 -6.676 101 HE2 PHE 12 HE2 PHE 12 -1.251 13.718 -6.475 102 HZ PHE 12 HZ PHE 12 -0.874 15.949 -5.457 103 H GLY 13 HN GLY 13 -1.964 11.860 -11.418 104 HA2 GLY 13 HA1 GLY 13 0.682 13.067 -12.032 105 HA3 GLY 13 HA2 GLY 13 0.444 11.728 -10.879 106 HA PRO 14 HA PRO 14 -0.239 9.072 -14.361 107 HB2 PRO 14 HB1 PRO 14 -1.267 9.661 -16.887 108 HB3 PRO 14 HB2 PRO 14 -2.300 9.589 -15.409 109 HG2 PRO 14 HG1 PRO 14 -1.051 12.114 -16.642 110 HG3 PRO 14 HG2 PRO 14 -2.788 11.818 -16.212 111 HD2 PRO 14 HD1 PRO 14 -1.118 13.104 -14.429 112 HD3 PRO 14 HD2 PRO 14 -2.319 11.859 -13.863 113 H LYS 15 HN LYS 15 1.228 12.025 -15.494 114 HA LYS 15 HA LYS 15 2.803 10.926 -17.554 115 HB2 LYS 15 HB1 LYS 15 2.198 13.440 -16.781 116 HB3 LYS 15 HB2 LYS 15 3.808 13.353 -16.027 117 HG2 LYS 15 HG1 LYS 15 3.066 12.920 -18.998 118 HG3 LYS 15 HG2 LYS 15 3.804 14.392 -18.282 119 HD2 LYS 15 HD1 LYS 15 5.823 12.989 -17.607 120 HD3 LYS 15 HD2 LYS 15 5.154 11.623 -18.536 121 HE2 LYS 15 HE1 LYS 15 5.964 14.394 -19.673 122 HE3 LYS 15 HE2 LYS 15 6.892 12.851 -19.842 123 HZ1 LYS 15 HZ1 LYS 15 4.155 13.389 -20.887 124 HZ2 LYS 15 HZ2 LYS 15 4.988 11.920 -21.022 125 HZ3 LYS 15 HZ3 LYS 15 5.580 13.309 -21.800 126 H LEU 16 HN LEU 16 3.616 11.422 -14.046 127 HA LEU 16 HA LEU 16 6.190 10.211 -14.381 128 HB2 LEU 16 HB1 LEU 16 6.427 10.283 -11.976 129 HB3 LEU 16 HB2 LEU 16 5.849 11.832 -12.632 130 HG LEU 16 HG LEU 16 3.429 10.806 -11.958 131 HD11 LEU 16 HD11 LEU 16 5.361 9.585 -9.874 132 HD12 LEU 16 HD12 LEU 16 4.364 8.629 -11.029 133 HD13 LEU 16 HD13 LEU 16 3.566 9.632 -9.764 134 HD21 LEU 16 HD21 LEU 16 3.607 12.111 -9.848 135 HD22 LEU 16 HD22 LEU 16 4.380 12.989 -11.220 136 HD23 LEU 16 HD23 LEU 16 5.400 12.137 -10.000 137 H PHE 17 HN PHE 17 2.966 8.990 -13.432 138 HA PHE 17 HA PHE 17 3.753 6.445 -12.698 139 HB2 PHE 17 HB1 PHE 17 1.506 7.657 -12.354 140 HB3 PHE 17 HB2 PHE 17 1.090 7.239 -14.050 141 HD1 PHE 17 HD1 PHE 17 2.107 5.769 -10.731 142 HD2 PHE 17 HD2 PHE 17 0.158 5.100 -14.499 143 HE1 PHE 17 HE1 PHE 17 1.253 3.600 -9.903 144 HE2 PHE 17 HE2 PHE 17 -0.700 2.932 -13.670 145 HZ PHE 17 HZ PHE 17 -0.159 2.182 -11.367 146 H CYS 18 HN CYS 18 2.815 7.591 -16.004 147 HA CYS 18 HA CYS 18 3.139 5.068 -17.185 148 HB2 CYS 18 HB1 CYS 18 2.953 6.070 -19.322 149 HB3 CYS 18 HB2 CYS 18 1.834 6.906 -18.215 150 H LEU 19 HN LEU 19 5.614 7.542 -16.464 151 HA LEU 19 HA LEU 19 7.673 6.197 -17.938 152 HB2 LEU 19 HB1 LEU 19 7.748 8.152 -15.577 153 HB3 LEU 19 HB2 LEU 19 9.212 7.586 -16.437 154 HG LEU 19 HG LEU 19 6.906 9.065 -17.827 155 HD11 LEU 19 HD11 LEU 19 8.351 11.107 -17.687 156 HD12 LEU 19 HD12 LEU 19 9.531 10.197 -16.671 157 HD13 LEU 19 HD13 LEU 19 7.867 10.511 -16.054 158 HD21 LEU 19 HD21 LEU 19 9.839 8.554 -18.654 159 HD22 LEU 19 HD22 LEU 19 8.635 9.510 -19.590 160 HD23 LEU 19 HD23 LEU 19 8.397 7.736 -19.360 161 H VAL 20 HN VAL 20 6.768 6.178 -14.440 162 HA VAL 20 HA VAL 20 8.716 4.365 -13.617 163 HB VAL 20 HB VAL 20 5.997 5.110 -12.459 164 HG11 VAL 20 HG11 VAL 20 8.305 3.476 -11.186 165 HG12 VAL 20 HG12 VAL 20 6.933 4.196 -10.273 166 HG13 VAL 20 HG13 VAL 20 6.620 2.896 -11.470 167 HG21 VAL 20 HG21 VAL 20 7.416 6.509 -10.933 168 HG22 VAL 20 HG22 VAL 20 8.904 5.932 -11.762 169 HG23 VAL 20 HG23 VAL 20 7.725 6.971 -12.644 170 H THR 21 HN THR 21 5.376 3.697 -14.732 171 HA THR 21 HA THR 21 5.789 0.843 -14.259 172 HB THR 21 HB THR 21 3.471 0.537 -15.015 173 HG1 THR 21 HG1 THR 21 3.312 3.344 -15.160 174 HG21 THR 21 HG21 THR 21 3.944 1.157 -12.622 175 HG22 THR 21 HG22 THR 21 2.364 1.792 -13.206 176 HG23 THR 21 HG23 THR 21 3.769 2.897 -13.034 177 H LYS 22 HN LYS 22 7.019 2.663 -16.566 178 HA LYS 22 HA LYS 22 7.371 2.688 -18.701 179 HB2 LYS 22 HB1 LYS 22 8.948 1.031 -17.943 180 HB3 LYS 22 HB2 LYS 22 7.784 -0.283 -18.256 181 HG2 LYS 22 HG1 LYS 22 9.579 -0.108 -19.994 182 HG3 LYS 22 HG2 LYS 22 7.936 0.036 -20.671 183 HD2 LYS 22 HD1 LYS 22 8.205 2.551 -20.755 184 HD3 LYS 22 HD2 LYS 22 9.890 2.367 -20.154 185 HE2 LYS 22 HE1 LYS 22 10.493 1.082 -22.228 186 HE3 LYS 22 HE2 LYS 22 8.764 1.109 -22.762 187 HZ1 LYS 22 HZ1 LYS 22 10.003 2.812 -23.874 188 HZ2 LYS 22 HZ2 LYS 22 10.532 3.484 -22.407 189 HZ3 LYS 22 HZ3 LYS 22 8.893 3.528 -22.818 190 H LYS 23 HN LYS 23 5.019 3.308 -18.818 191 HA LYS 23 HA LYS 23 3.849 1.781 -21.079 192 HB2 LYS 23 HB1 LYS 23 2.465 3.638 -19.060 193 HB3 LYS 23 HB2 LYS 23 1.661 2.840 -20.453 194 HG2 LYS 23 HG1 LYS 23 3.017 1.380 -18.100 195 HG3 LYS 23 HG2 LYS 23 1.275 1.715 -18.201 196 HD2 LYS 23 HD1 LYS 23 0.860 0.170 -19.882 197 HD3 LYS 23 HD2 LYS 23 2.488 0.250 -20.585 198 HE2 LYS 23 HE1 LYS 23 1.843 -1.145 -17.896 199 HE3 LYS 23 HE2 LYS 23 2.010 -1.957 -19.505 200 HZ1 LYS 23 HZ1 LYS 23 4.113 -2.140 -18.584 201 HZ2 LYS 23 HZ2 LYS 23 4.100 -0.605 -17.895 202 HZ3 LYS 23 HZ3 LYS 23 4.288 -0.740 -19.530 203 H CYS 24 HN CYS 24 5.508 4.659 -20.170 204 HA CYS 24 HA CYS 24 4.638 6.085 -22.544 205 HB2 CYS 24 HB2 CYS 24 7.009 6.521 -20.657 206 HB3 CYS 24 HB1 CYS 24 6.653 7.570 -22.070 Start of MODEL 9 1 H1 PHE 1 HN PHE 1 3.651 0.352 -0.851 2 HA PHE 1 HA PHE 1 1.513 -1.346 -1.565 3 HB2 PHE 1 HB1 PHE 1 1.182 0.512 0.881 4 HB3 PHE 1 HB2 PHE 1 -0.232 -0.135 -0.038 5 HD1 PHE 1 HD1 PHE 1 -0.688 -2.563 -0.106 6 HD2 PHE 1 HD2 PHE 1 2.429 -0.929 2.360 7 HE1 PHE 1 HE1 PHE 1 -0.641 -4.653 1.224 8 HE2 PHE 1 HE2 PHE 1 2.471 -3.017 3.689 9 HZ PHE 1 HZ PHE 1 0.938 -4.880 3.122 10 H LEU 2 HN LEU 2 -0.369 0.069 -2.452 11 HA LEU 2 HA LEU 2 0.575 2.700 -3.311 12 HB2 LEU 2 HB1 LEU 2 0.460 2.073 -5.752 13 HB3 LEU 2 HB2 LEU 2 1.768 1.332 -4.808 14 HG LEU 2 HG LEU 2 0.529 -0.819 -4.661 15 HD11 LEU 2 HD11 LEU 2 -1.493 0.520 -6.575 16 HD12 LEU 2 HD12 LEU 2 -1.847 -0.171 -4.943 17 HD13 LEU 2 HD13 LEU 2 -1.359 -1.255 -6.288 18 HD21 LEU 2 HD21 LEU 2 2.240 -0.379 -6.403 19 HD22 LEU 2 HD22 LEU 2 0.966 0.264 -7.509 20 HD23 LEU 2 HD23 LEU 2 0.946 -1.473 -7.017 21 HA PRO 3 HA PRO 3 -3.940 1.908 -4.593 22 HB2 PRO 3 HB1 PRO 3 -5.756 2.131 -2.477 23 HB3 PRO 3 HB2 PRO 3 -4.970 0.580 -2.947 24 HG2 PRO 3 HG1 PRO 3 -4.075 2.513 -0.736 25 HG3 PRO 3 HG2 PRO 3 -4.321 0.727 -0.626 26 HD2 PRO 3 HD1 PRO 3 -1.812 1.813 -1.069 27 HD3 PRO 3 HD2 PRO 3 -2.339 0.277 -1.898 28 H ILE 4 HN ILE 4 -3.459 4.212 -1.823 29 HA ILE 4 HA ILE 4 -4.904 6.272 -3.094 30 HB ILE 4 HB ILE 4 -3.952 7.805 -1.466 31 HG12 ILE 4 HG11 ILE 4 -2.297 5.387 -0.486 32 HG13 ILE 4 HG12 ILE 4 -1.647 6.870 -1.271 33 HG21 ILE 4 HG21 ILE 4 -4.898 5.116 -0.261 34 HG22 ILE 4 HG22 ILE 4 -5.090 6.756 0.448 35 HG23 ILE 4 HG23 ILE 4 -5.969 6.332 -1.056 36 HD11 ILE 4 HD1 ILE 4 -2.559 8.266 0.626 37 HD12 ILE 4 HD2 ILE 4 -3.086 6.757 1.457 38 HD13 ILE 4 HD3 ILE 4 -1.342 7.052 1.154 39 H LEU 5 HN LEU 5 -1.435 5.420 -3.242 40 HA LEU 5 HA LEU 5 -0.621 7.673 -4.704 41 HB2 LEU 5 HB1 LEU 5 0.572 4.834 -4.669 42 HB3 LEU 5 HB2 LEU 5 1.329 6.275 -5.409 43 HG LEU 5 HG LEU 5 2.480 6.068 -3.454 44 HD11 LEU 5 HD11 LEU 5 0.281 8.039 -2.584 45 HD12 LEU 5 HD12 LEU 5 1.627 8.411 -3.735 46 HD13 LEU 5 HD13 LEU 5 1.986 7.981 -2.024 47 HD21 LEU 5 HD21 LEU 5 1.577 5.708 -1.169 48 HD22 LEU 5 HD22 LEU 5 1.277 4.332 -2.272 49 HD23 LEU 5 HD23 LEU 5 -0.071 5.465 -1.843 50 H ALA 6 HN ALA 6 -1.789 4.462 -5.862 51 HA ALA 6 HA ALA 6 -1.582 5.045 -8.595 52 HB1 ALA 6 HB1 ALA 6 -3.181 3.114 -8.840 53 HB2 ALA 6 HB2 ALA 6 -1.885 2.747 -7.640 54 HB3 ALA 6 HB3 ALA 6 -3.526 3.202 -7.069 55 H SER 7 HN SER 7 -4.328 5.539 -6.324 56 HA SER 7 HA SER 7 -6.129 6.582 -8.212 57 HB2 SER 7 HB1 SER 7 -6.737 5.796 -5.912 58 HB3 SER 7 HB2 SER 7 -5.918 7.232 -5.214 59 HG SER 7 HG1 SER 7 -8.251 7.422 -5.536 60 H LEU 8 HN LEU 8 -3.824 8.433 -6.061 61 HA LEU 8 HA LEU 8 -4.612 10.872 -7.228 62 HB2 LEU 8 HB1 LEU 8 -2.923 12.007 -5.996 63 HB3 LEU 8 HB2 LEU 8 -3.685 10.743 -4.989 64 HG LEU 8 HG LEU 8 -1.591 9.284 -5.745 65 HD11 LEU 8 HD11 LEU 8 -0.542 11.031 -7.276 66 HD12 LEU 8 HD12 LEU 8 0.504 10.619 -5.874 67 HD13 LEU 8 HD13 LEU 8 -0.431 12.152 -5.864 68 HD21 LEU 8 HD21 LEU 8 -2.201 9.872 -3.415 69 HD22 LEU 8 HD22 LEU 8 -1.480 11.515 -3.613 70 HD23 LEU 8 HD23 LEU 8 -0.428 10.056 -3.663 71 H ALA 9 HN ALA 9 -1.955 8.645 -8.122 72 HA ALA 9 HA ALA 9 -0.837 10.257 -10.105 73 HB1 ALA 9 HB1 ALA 9 0.204 8.138 -10.903 74 HB2 ALA 9 HB2 ALA 9 0.270 8.253 -9.107 75 HB3 ALA 9 HB3 ALA 9 -0.956 7.194 -9.884 76 H ALA 10 HN ALA 10 -3.523 7.810 -10.405 77 HA ALA 10 HA ALA 10 -3.883 8.208 -13.167 78 HB1 ALA 10 HB1 ALA 10 -5.900 7.451 -10.960 79 HB2 ALA 10 HB2 ALA 10 -6.149 7.203 -12.732 80 HB3 ALA 10 HB3 ALA 10 -4.855 6.300 -11.859 81 H LYS 11 HN LYS 11 -5.373 9.857 -10.370 82 HA LYS 11 HA LYS 11 -7.067 11.519 -11.823 83 HB2 LYS 11 HB1 LYS 11 -7.251 10.845 -9.469 84 HB3 LYS 11 HB2 LYS 11 -5.854 11.844 -9.027 85 HG2 LYS 11 HG1 LYS 11 -8.378 12.982 -10.400 86 HG3 LYS 11 HG2 LYS 11 -8.430 12.619 -8.662 87 HD2 LYS 11 HD1 LYS 11 -6.417 14.622 -9.902 88 HD3 LYS 11 HD2 LYS 11 -8.052 15.032 -9.346 89 HE2 LYS 11 HE1 LYS 11 -6.596 15.651 -7.545 90 HE3 LYS 11 HE2 LYS 11 -7.501 14.178 -7.015 91 HZ1 LYS 11 HZ1 LYS 11 -4.701 14.340 -8.015 92 HZ2 LYS 11 HZ2 LYS 11 -5.535 12.890 -7.764 93 HZ3 LYS 11 HZ3 LYS 11 -5.216 13.939 -6.458 94 H PHE 12 HN PHE 12 -3.660 12.263 -10.804 95 HA PHE 12 HA PHE 12 -3.722 14.329 -12.840 96 HB2 PHE 12 HB1 PHE 12 -3.051 16.250 -11.453 97 HB3 PHE 12 HB2 PHE 12 -4.699 15.660 -11.125 98 HD1 PHE 12 HD1 PHE 12 -4.418 17.269 -9.176 99 HD2 PHE 12 HD2 PHE 12 -2.073 13.663 -9.470 100 HE1 PHE 12 HE1 PHE 12 -3.870 17.408 -6.766 101 HE2 PHE 12 HE2 PHE 12 -1.548 13.814 -7.098 102 HZ PHE 12 HZ PHE 12 -2.434 15.677 -5.721 103 H GLY 13 HN GLY 13 -1.994 11.847 -12.084 104 HA2 GLY 13 HA1 GLY 13 0.527 13.259 -12.746 105 HA3 GLY 13 HA2 GLY 13 0.435 11.904 -11.581 106 HA PRO 14 HA PRO 14 -0.499 9.307 -15.159 107 HB2 PRO 14 HB1 PRO 14 -1.294 10.127 -17.717 108 HB3 PRO 14 HB2 PRO 14 -2.430 10.018 -16.320 109 HG2 PRO 14 HG1 PRO 14 -0.946 12.532 -17.280 110 HG3 PRO 14 HG2 PRO 14 -2.721 12.326 -16.977 111 HD2 PRO 14 HD1 PRO 14 -1.094 13.373 -15.015 112 HD3 PRO 14 HD2 PRO 14 -2.398 12.172 -14.602 113 H LYS 15 HN LYS 15 1.273 12.178 -16.257 114 HA LYS 15 HA LYS 15 2.910 10.787 -18.095 115 HB2 LYS 15 HB1 LYS 15 2.466 13.424 -17.512 116 HB3 LYS 15 HB2 LYS 15 4.094 13.241 -16.814 117 HG2 LYS 15 HG1 LYS 15 3.215 12.515 -19.692 118 HG3 LYS 15 HG2 LYS 15 3.984 14.062 -19.209 119 HD2 LYS 15 HD1 LYS 15 6.081 12.851 -18.566 120 HD3 LYS 15 HD2 LYS 15 5.301 11.285 -18.908 121 HE2 LYS 15 HE1 LYS 15 6.806 11.855 -20.762 122 HE3 LYS 15 HE2 LYS 15 5.090 11.818 -21.328 123 HZ1 LYS 15 HZ1 LYS 15 5.041 14.223 -21.162 124 HZ2 LYS 15 HZ2 LYS 15 6.292 13.721 -22.186 125 HZ3 LYS 15 HZ3 LYS 15 6.647 14.265 -20.621 126 H LEU 16 HN LEU 16 3.487 11.536 -14.586 127 HA LEU 16 HA LEU 16 5.981 10.147 -14.599 128 HB2 LEU 16 HB1 LEU 16 5.992 10.322 -12.171 129 HB3 LEU 16 HB2 LEU 16 5.715 11.863 -13.013 130 HG LEU 16 HG LEU 16 3.145 11.398 -12.521 131 HD11 LEU 16 HD11 LEU 16 2.798 10.312 -10.288 132 HD12 LEU 16 HD12 LEU 16 4.527 9.825 -10.241 133 HD13 LEU 16 HD13 LEU 16 3.419 9.101 -11.462 134 HD21 LEU 16 HD21 LEU 16 4.483 13.327 -11.695 135 HD22 LEU 16 HD22 LEU 16 5.148 12.305 -10.367 136 HD23 LEU 16 HD23 LEU 16 3.391 12.691 -10.410 137 H PHE 17 HN PHE 17 2.619 9.147 -13.867 138 HA PHE 17 HA PHE 17 3.272 6.561 -13.084 139 HB2 PHE 17 HB1 PHE 17 1.025 7.716 -12.796 140 HB3 PHE 17 HB2 PHE 17 0.742 7.540 -14.558 141 HD1 PHE 17 HD1 PHE 17 2.086 5.139 -11.919 142 HD2 PHE 17 HD2 PHE 17 -1.019 6.006 -14.764 143 HE1 PHE 17 HE1 PHE 17 1.061 2.948 -11.466 144 HE2 PHE 17 HE2 PHE 17 -2.061 3.814 -14.285 145 HZ PHE 17 HZ PHE 17 -1.017 2.276 -12.642 146 H CYS 18 HN CYS 18 2.724 7.807 -16.440 147 HA CYS 18 HA CYS 18 3.019 5.253 -17.578 148 HB2 CYS 18 HB1 CYS 18 2.971 6.152 -19.709 149 HB3 CYS 18 HB2 CYS 18 1.881 7.157 -18.723 150 H LEU 19 HN LEU 19 5.584 7.760 -16.958 151 HA LEU 19 HA LEU 19 7.491 6.151 -18.298 152 HB2 LEU 19 HB1 LEU 19 9.187 7.664 -17.674 153 HB3 LEU 19 HB2 LEU 19 7.711 8.548 -18.145 154 HG LEU 19 HG LEU 19 7.296 8.558 -15.472 155 HD11 LEU 19 HD11 LEU 19 9.439 8.959 -14.251 156 HD12 LEU 19 HD12 LEU 19 10.381 8.564 -15.732 157 HD13 LEU 19 HD13 LEU 19 9.423 7.285 -14.906 158 HD21 LEU 19 HD21 LEU 19 7.400 10.547 -16.967 159 HD22 LEU 19 HD22 LEU 19 9.206 10.457 -16.976 160 HD23 LEU 19 HD23 LEU 19 8.330 10.831 -15.447 161 H VAL 20 HN VAL 20 6.702 6.310 -14.788 162 HA VAL 20 HA VAL 20 8.884 4.878 -13.913 163 HB VAL 20 HB VAL 20 6.093 5.214 -12.767 164 HG11 VAL 20 HG11 VAL 20 8.591 3.937 -11.445 165 HG12 VAL 20 HG12 VAL 20 7.137 4.499 -10.552 166 HG13 VAL 20 HG13 VAL 20 6.999 3.130 -11.706 167 HG21 VAL 20 HG21 VAL 20 8.865 6.420 -12.079 168 HG22 VAL 20 HG22 VAL 20 7.583 7.272 -13.012 169 HG23 VAL 20 HG23 VAL 20 7.305 6.835 -11.288 170 H THR 21 HN THR 21 5.762 3.438 -14.999 171 HA THR 21 HA THR 21 7.080 0.795 -14.639 172 HB THR 21 HB THR 21 5.126 -0.347 -14.509 173 HG1 THR 21 HG1 THR 21 4.012 0.476 -16.117 174 HG21 THR 21 HG21 THR 21 3.848 0.740 -12.698 175 HG22 THR 21 HG22 THR 21 4.499 2.363 -13.139 176 HG23 THR 21 HG23 THR 21 5.599 1.092 -12.487 177 H LYS 22 HN LYS 22 7.570 2.745 -16.865 178 HA LYS 22 HA LYS 22 7.721 2.906 -19.017 179 HB2 LYS 22 HB1 LYS 22 9.362 1.173 -18.351 180 HB3 LYS 22 HB2 LYS 22 8.252 -0.083 -18.951 181 HG2 LYS 22 HG1 LYS 22 8.694 2.069 -20.970 182 HG3 LYS 22 HG2 LYS 22 10.253 1.427 -20.398 183 HD2 LYS 22 HD1 LYS 22 9.979 -0.638 -21.353 184 HD3 LYS 22 HD2 LYS 22 8.234 -0.713 -21.016 185 HE2 LYS 22 HE1 LYS 22 9.466 0.959 -23.319 186 HE3 LYS 22 HE2 LYS 22 8.743 -0.694 -23.474 187 HZ1 LYS 22 HZ1 LYS 22 7.414 1.875 -23.078 188 HZ2 LYS 22 HZ2 LYS 22 6.837 0.622 -22.145 189 HZ3 LYS 22 HZ3 LYS 22 6.870 0.463 -23.837 190 H LYS 23 HN LYS 23 5.136 3.172 -18.711 191 HA LYS 23 HA LYS 23 3.807 1.563 -20.798 192 HB2 LYS 23 HB1 LYS 23 2.650 3.770 -19.013 193 HB3 LYS 23 HB2 LYS 23 1.744 2.679 -20.113 194 HG2 LYS 23 HG1 LYS 23 2.519 0.706 -18.769 195 HG3 LYS 23 HG2 LYS 23 3.326 1.804 -17.613 196 HD2 LYS 23 HD1 LYS 23 0.314 1.843 -18.294 197 HD3 LYS 23 HD2 LYS 23 0.982 0.879 -16.955 198 HE2 LYS 23 HE1 LYS 23 1.224 3.967 -17.131 199 HE3 LYS 23 HE2 LYS 23 -0.093 3.089 -16.271 200 HZ1 LYS 23 HZ1 LYS 23 2.451 2.094 -15.447 201 HZ2 LYS 23 HZ2 LYS 23 1.222 2.827 -14.541 202 HZ3 LYS 23 HZ3 LYS 23 2.409 3.753 -15.288 203 H CYS 24 HN CYS 24 5.645 4.424 -20.445 204 HA CYS 24 HA CYS 24 4.556 5.671 -22.851 205 HB2 CYS 24 HB2 CYS 24 7.119 6.257 -21.267 206 HB3 CYS 24 HB1 CYS 24 6.562 7.190 -22.694 Start of MODEL 10 1 H1 PHE 1 HN PHE 1 1.452 -2.019 -0.303 2 HA PHE 1 HA PHE 1 0.826 -2.182 -2.717 3 HB2 PHE 1 HB1 PHE 1 -1.428 -1.437 -0.723 4 HB3 PHE 1 HB2 PHE 1 -1.680 -2.300 -2.292 5 HD1 PHE 1 HD1 PHE 1 -0.381 -4.502 -2.647 6 HD2 PHE 1 HD2 PHE 1 -0.938 -2.690 1.210 7 HE1 PHE 1 HE1 PHE 1 0.089 -6.678 -1.554 8 HE2 PHE 1 HE2 PHE 1 -0.469 -4.863 2.298 9 HZ PHE 1 HZ PHE 1 0.047 -6.856 0.920 10 H LEU 2 HN LEU 2 0.644 0.784 -1.122 11 HA LEU 2 HA LEU 2 0.230 2.915 -1.687 12 HB2 LEU 2 HB1 LEU 2 1.577 1.723 -4.116 13 HB3 LEU 2 HB2 LEU 2 1.137 3.443 -4.135 14 HG LEU 2 HG LEU 2 2.429 3.799 -1.995 15 HD11 LEU 2 HD11 LEU 2 3.521 0.976 -2.610 16 HD12 LEU 2 HD12 LEU 2 2.680 1.496 -1.100 17 HD13 LEU 2 HD13 LEU 2 4.295 2.167 -1.503 18 HD21 LEU 2 HD21 LEU 2 3.973 2.785 -4.462 19 HD22 LEU 2 HD22 LEU 2 4.610 3.891 -3.189 20 HD23 LEU 2 HD23 LEU 2 3.263 4.433 -4.259 21 HA PRO 3 HA PRO 3 -3.528 2.129 -4.400 22 HB2 PRO 3 HB1 PRO 3 -5.711 2.239 -2.654 23 HB3 PRO 3 HB2 PRO 3 -4.716 0.754 -2.888 24 HG2 PRO 3 HG1 PRO 3 -4.406 2.851 -0.664 25 HG3 PRO 3 HG2 PRO 3 -4.529 1.054 -0.497 26 HD2 PRO 3 HD1 PRO 3 -2.063 2.316 -0.548 27 HD3 PRO 3 HD2 PRO 3 -2.330 0.720 -1.385 28 H ILE 4 HN ILE 4 -3.487 4.519 -1.712 29 HA ILE 4 HA ILE 4 -4.976 6.474 -3.093 30 HB ILE 4 HB ILE 4 -4.015 8.088 -1.450 31 HG12 ILE 4 HG11 ILE 4 -2.670 5.584 -0.233 32 HG13 ILE 4 HG12 ILE 4 -1.793 6.894 -1.097 33 HG21 ILE 4 HG21 ILE 4 -6.151 6.783 -1.169 34 HG22 ILE 4 HG22 ILE 4 -5.236 5.471 -0.335 35 HG23 ILE 4 HG23 ILE 4 -5.343 7.108 0.399 36 HD11 ILE 4 HD1 ILE 4 -2.633 8.566 0.598 37 HD12 ILE 4 HD2 ILE 4 -3.414 7.224 1.510 38 HD13 ILE 4 HD3 ILE 4 -1.629 7.265 1.328 39 H LEU 5 HN LEU 5 -1.475 5.811 -3.062 40 HA LEU 5 HA LEU 5 -0.703 8.028 -4.634 41 HB2 LEU 5 HB1 LEU 5 0.492 5.352 -3.885 42 HB3 LEU 5 HB2 LEU 5 1.242 6.247 -5.241 43 HG LEU 5 HG LEU 5 2.427 6.601 -3.149 44 HD11 LEU 5 HD11 LEU 5 2.486 8.341 -4.929 45 HD12 LEU 5 HD12 LEU 5 2.664 9.049 -3.282 46 HD13 LEU 5 HD13 LEU 5 1.097 9.194 -4.153 47 HD21 LEU 5 HD21 LEU 5 0.550 6.478 -1.503 48 HD22 LEU 5 HD22 LEU 5 -0.047 8.088 -2.077 49 HD23 LEU 5 HD23 LEU 5 1.562 7.951 -1.291 50 H ALA 6 HN ALA 6 -1.657 4.663 -5.582 51 HA ALA 6 HA ALA 6 -1.389 5.064 -8.338 52 HB1 ALA 6 HB1 ALA 6 -1.641 2.832 -7.217 53 HB2 ALA 6 HB2 ALA 6 -3.331 3.251 -6.775 54 HB3 ALA 6 HB3 ALA 6 -2.876 3.053 -8.512 55 H SER 7 HN SER 7 -4.244 5.601 -6.225 56 HA SER 7 HA SER 7 -6.005 6.451 -8.236 57 HB2 SER 7 HB1 SER 7 -6.646 5.804 -5.893 58 HB3 SER 7 HB2 SER 7 -5.936 7.340 -5.293 59 HG SER 7 HG1 SER 7 -8.252 7.387 -5.697 60 H LEU 8 HN LEU 8 -3.860 8.546 -6.140 61 HA LEU 8 HA LEU 8 -4.649 10.865 -7.544 62 HB2 LEU 8 HB1 LEU 8 -3.072 12.145 -6.339 63 HB3 LEU 8 HB2 LEU 8 -3.853 10.952 -5.263 64 HG LEU 8 HG LEU 8 -1.684 9.498 -5.778 65 HD11 LEU 8 HD11 LEU 8 -0.609 12.381 -6.123 66 HD12 LEU 8 HD12 LEU 8 -0.594 11.105 -7.401 67 HD13 LEU 8 HD13 LEU 8 0.382 10.896 -5.907 68 HD21 LEU 8 HD21 LEU 8 -0.663 10.465 -3.704 69 HD22 LEU 8 HD22 LEU 8 -2.445 10.272 -3.546 70 HD23 LEU 8 HD23 LEU 8 -1.736 11.905 -3.845 71 H ALA 9 HN ALA 9 -1.972 8.576 -8.161 72 HA ALA 9 HA ALA 9 -0.748 10.031 -10.193 73 HB1 ALA 9 HB1 ALA 9 -1.017 6.989 -9.853 74 HB2 ALA 9 HB2 ALA 9 0.186 7.826 -10.909 75 HB3 ALA 9 HB3 ALA 9 0.258 8.021 -9.120 76 H ALA 10 HN ALA 10 -3.526 7.689 -10.452 77 HA ALA 10 HA ALA 10 -3.857 8.063 -13.232 78 HB1 ALA 10 HB1 ALA 10 -6.138 7.100 -12.803 79 HB2 ALA 10 HB2 ALA 10 -4.865 6.184 -11.914 80 HB3 ALA 10 HB3 ALA 10 -5.897 7.358 -11.031 81 H LYS 11 HN LYS 11 -5.366 9.751 -10.461 82 HA LYS 11 HA LYS 11 -7.053 11.405 -11.920 83 HB2 LYS 11 HB1 LYS 11 -7.504 10.893 -9.662 84 HB3 LYS 11 HB2 LYS 11 -5.897 11.413 -9.114 85 HG2 LYS 11 HG1 LYS 11 -7.630 13.585 -10.324 86 HG3 LYS 11 HG2 LYS 11 -8.194 12.870 -8.783 87 HD2 LYS 11 HD1 LYS 11 -6.058 13.292 -7.672 88 HD3 LYS 11 HD2 LYS 11 -5.330 13.883 -9.200 89 HE2 LYS 11 HE1 LYS 11 -6.878 15.852 -9.223 90 HE3 LYS 11 HE2 LYS 11 -7.648 15.274 -7.688 91 HZ1 LYS 11 HZ1 LYS 11 -5.505 15.450 -6.606 92 HZ2 LYS 11 HZ2 LYS 11 -5.925 16.939 -7.300 93 HZ3 LYS 11 HZ3 LYS 11 -4.763 15.952 -8.036 94 H PHE 12 HN PHE 12 -3.677 12.217 -10.881 95 HA PHE 12 HA PHE 12 -3.690 14.099 -13.063 96 HB2 PHE 12 HB1 PHE 12 -3.284 16.178 -12.020 97 HB3 PHE 12 HB2 PHE 12 -4.802 15.515 -11.356 98 HD1 PHE 12 HD1 PHE 12 -3.518 17.830 -10.156 99 HD2 PHE 12 HD2 PHE 12 -2.717 13.667 -9.403 100 HE1 PHE 12 HE1 PHE 12 -2.709 18.384 -7.880 101 HE2 PHE 12 HE2 PHE 12 -1.938 14.222 -7.155 102 HZ PHE 12 HZ PHE 12 -1.924 16.576 -6.373 103 H GLY 13 HN GLY 13 -1.965 11.807 -11.693 104 HA2 GLY 13 HA1 GLY 13 0.621 13.129 -12.268 105 HA3 GLY 13 HA2 GLY 13 0.358 11.663 -11.295 106 HA PRO 14 HA PRO 14 -0.226 9.053 -14.532 107 HB2 PRO 14 HB1 PRO 14 -1.418 9.325 -17.052 108 HB3 PRO 14 HB2 PRO 14 -2.350 9.358 -15.507 109 HG2 PRO 14 HG1 PRO 14 -1.291 11.804 -17.042 110 HG3 PRO 14 HG2 PRO 14 -2.991 11.470 -16.497 111 HD2 PRO 14 HD1 PRO 14 -1.343 12.987 -14.912 112 HD3 PRO 14 HD2 PRO 14 -2.393 11.685 -14.182 113 H LYS 15 HN LYS 15 1.217 11.837 -16.074 114 HA LYS 15 HA LYS 15 2.784 10.400 -17.964 115 HB2 LYS 15 HB1 LYS 15 2.384 12.884 -18.060 116 HB3 LYS 15 HB2 LYS 15 3.382 13.074 -16.596 117 HG2 LYS 15 HG1 LYS 15 4.717 13.679 -18.539 118 HG3 LYS 15 HG2 LYS 15 5.386 12.206 -17.799 119 HD2 LYS 15 HD1 LYS 15 5.512 11.980 -20.177 120 HD3 LYS 15 HD2 LYS 15 4.303 10.800 -19.590 121 HE2 LYS 15 HE1 LYS 15 2.437 12.300 -20.385 122 HE3 LYS 15 HE2 LYS 15 3.643 13.559 -20.864 123 HZ1 LYS 15 HZ1 LYS 15 2.917 12.229 -22.738 124 HZ2 LYS 15 HZ2 LYS 15 3.463 10.805 -22.002 125 HZ3 LYS 15 HZ3 LYS 15 4.568 12.007 -22.453 126 H LEU 16 HN LEU 16 3.333 11.188 -14.508 127 HA LEU 16 HA LEU 16 5.969 10.134 -14.378 128 HB2 LEU 16 HB1 LEU 16 4.974 11.769 -12.792 129 HB3 LEU 16 HB2 LEU 16 3.831 10.538 -12.195 130 HG LEU 16 HG LEU 16 6.857 10.050 -12.079 131 HD11 LEU 16 HD11 LEU 16 6.927 11.152 -9.844 132 HD12 LEU 16 HD12 LEU 16 5.221 11.691 -10.043 133 HD13 LEU 16 HD13 LEU 16 6.506 12.331 -11.138 134 HD21 LEU 16 HD21 LEU 16 6.251 8.822 -9.960 135 HD22 LEU 16 HD22 LEU 16 5.414 8.120 -11.383 136 HD23 LEU 16 HD23 LEU 16 4.514 9.196 -10.244 137 H PHE 17 HN PHE 17 2.721 8.752 -13.692 138 HA PHE 17 HA PHE 17 3.592 6.205 -12.957 139 HB2 PHE 17 HB1 PHE 17 1.255 7.280 -12.694 140 HB3 PHE 17 HB2 PHE 17 0.956 6.904 -14.424 141 HD1 PHE 17 HD1 PHE 17 1.815 5.399 -11.085 142 HD2 PHE 17 HD2 PHE 17 0.262 4.701 -15.026 143 HE1 PHE 17 HE1 PHE 17 1.086 3.140 -10.394 144 HE2 PHE 17 HE2 PHE 17 -0.472 2.438 -14.335 145 HZ PHE 17 HZ PHE 17 -0.061 1.656 -12.016 146 H CYS 18 HN CYS 18 2.784 7.488 -16.172 147 HA CYS 18 HA CYS 18 3.156 5.205 -17.702 148 HB2 CYS 18 HB1 CYS 18 2.055 7.306 -18.444 149 HB3 CYS 18 HB2 CYS 18 3.606 8.177 -18.336 150 H LEU 19 HN LEU 19 5.704 7.693 -16.802 151 HA LEU 19 HA LEU 19 7.654 6.131 -18.224 152 HB2 LEU 19 HB1 LEU 19 9.312 7.706 -17.613 153 HB3 LEU 19 HB2 LEU 19 7.828 8.527 -18.160 154 HG LEU 19 HG LEU 19 7.358 8.609 -15.479 155 HD11 LEU 19 HD11 LEU 19 9.463 9.180 -14.271 156 HD12 LEU 19 HD12 LEU 19 10.436 8.807 -15.738 157 HD13 LEU 19 HD13 LEU 19 9.562 7.489 -14.879 158 HD21 LEU 19 HD21 LEU 19 7.331 10.535 -17.051 159 HD22 LEU 19 HD22 LEU 19 9.138 10.569 -17.057 160 HD23 LEU 19 HD23 LEU 19 8.235 10.940 -15.543 161 H VAL 20 HN VAL 20 6.912 6.451 -14.694 162 HA VAL 20 HA VAL 20 9.042 4.855 -13.856 163 HB VAL 20 HB VAL 20 6.367 5.503 -12.552 164 HG11 VAL 20 HG11 VAL 20 7.229 3.417 -11.462 165 HG12 VAL 20 HG12 VAL 20 8.881 4.136 -11.356 166 HG13 VAL 20 HG13 VAL 20 7.529 4.825 -10.390 167 HG21 VAL 20 HG21 VAL 20 7.822 7.085 -11.227 168 HG22 VAL 20 HG22 VAL 20 9.252 6.583 -12.196 169 HG23 VAL 20 HG23 VAL 20 7.890 7.467 -12.982 170 H THR 21 HN THR 21 5.690 3.849 -14.718 171 HA THR 21 HA THR 21 6.479 1.089 -14.072 172 HB THR 21 HB THR 21 4.260 0.386 -14.263 173 HG1 THR 21 HG1 THR 21 3.521 3.004 -15.008 174 HG21 THR 21 HG21 THR 21 3.137 1.792 -12.570 175 HG22 THR 21 HG22 THR 21 4.256 3.160 -12.887 176 HG23 THR 21 HG23 THR 21 4.884 1.633 -12.167 177 H LYS 22 HN LYS 22 7.250 2.841 -16.596 178 HA LYS 22 HA LYS 22 7.612 2.607 -18.710 179 HB2 LYS 22 HB1 LYS 22 9.044 0.818 -17.697 180 HB3 LYS 22 HB2 LYS 22 7.792 -0.374 -18.146 181 HG2 LYS 22 HG1 LYS 22 9.540 -0.504 -19.786 182 HG3 LYS 22 HG2 LYS 22 8.127 0.250 -20.586 183 HD2 LYS 22 HD1 LYS 22 9.236 2.551 -20.087 184 HD3 LYS 22 HD2 LYS 22 10.701 1.659 -19.608 185 HE2 LYS 22 HE1 LYS 22 9.286 1.638 -22.377 186 HE3 LYS 22 HE2 LYS 22 10.819 2.504 -21.972 187 HZ1 LYS 22 HZ1 LYS 22 11.217 0.417 -23.099 188 HZ2 LYS 22 HZ2 LYS 22 10.385 -0.439 -21.893 189 HZ3 LYS 22 HZ3 LYS 22 11.836 0.360 -21.518 190 H LYS 23 HN LYS 23 5.180 3.281 -18.865 191 HA LYS 23 HA LYS 23 4.061 1.581 -21.048 192 HB2 LYS 23 HB1 LYS 23 2.946 4.008 -19.528 193 HB3 LYS 23 HB2 LYS 23 2.334 3.549 -21.142 194 HG2 LYS 23 HG1 LYS 23 0.800 2.757 -19.553 195 HG3 LYS 23 HG2 LYS 23 1.563 1.355 -20.343 196 HD2 LYS 23 HD1 LYS 23 2.859 2.292 -17.779 197 HD3 LYS 23 HD2 LYS 23 1.176 1.712 -17.602 198 HE2 LYS 23 HE1 LYS 23 1.710 -0.491 -18.543 199 HE3 LYS 23 HE2 LYS 23 3.385 0.036 -18.973 200 HZ1 LYS 23 HZ1 LYS 23 2.810 0.571 -16.244 201 HZ2 LYS 23 HZ2 LYS 23 4.058 -0.264 -16.928 202 HZ3 LYS 23 HZ3 LYS 23 2.614 -1.095 -16.589 203 H CYS 24 HN CYS 24 5.891 4.514 -20.246 204 HA CYS 24 HA CYS 24 5.612 5.562 -22.933 205 HB2 CYS 24 HB1 CYS 24 7.400 6.429 -20.601 206 HB3 CYS 24 HB2 CYS 24 7.271 7.299 -22.163 Start of MODEL 11 1 H1 PHE 1 HN PHE 1 0.558 -1.633 0.166 2 HA PHE 1 HA PHE 1 0.825 0.702 0.778 3 HB2 PHE 1 HB1 PHE 1 2.943 -0.267 -1.270 4 HB3 PHE 1 HB2 PHE 1 3.194 1.041 -0.048 5 HD1 PHE 1 HD1 PHE 1 2.862 0.440 2.429 6 HD2 PHE 1 HD2 PHE 1 3.338 -2.513 -0.657 7 HE1 PHE 1 HE1 PHE 1 3.503 -1.237 4.132 8 HE2 PHE 1 HE2 PHE 1 3.981 -4.191 1.053 9 HZ PHE 1 HZ PHE 1 4.061 -3.551 3.447 10 H LEU 2 HN LEU 2 0.366 -0.023 -2.595 11 HA LEU 2 HA LEU 2 0.723 2.753 -3.381 12 HB2 LEU 2 HB1 LEU 2 0.116 0.304 -5.111 13 HB3 LEU 2 HB2 LEU 2 0.592 1.934 -5.676 14 HG LEU 2 HG LEU 2 2.712 1.485 -4.062 15 HD11 LEU 2 HD11 LEU 2 1.948 -1.332 -5.093 16 HD12 LEU 2 HD12 LEU 2 2.036 -0.843 -3.359 17 HD13 LEU 2 HD13 LEU 2 3.526 -0.866 -4.363 18 HD21 LEU 2 HD21 LEU 2 2.763 2.126 -6.464 19 HD22 LEU 2 HD22 LEU 2 2.390 0.423 -6.939 20 HD23 LEU 2 HD23 LEU 2 3.947 0.812 -6.118 21 HA PRO 3 HA PRO 3 -3.740 2.034 -4.866 22 HB2 PRO 3 HB1 PRO 3 -5.758 2.031 -2.937 23 HB3 PRO 3 HB2 PRO 3 -4.889 0.539 -3.459 24 HG2 PRO 3 HG1 PRO 3 -4.275 2.281 -1.009 25 HG3 PRO 3 HG2 PRO 3 -4.473 0.485 -1.081 26 HD2 PRO 3 HD1 PRO 3 -1.990 1.701 -1.165 27 HD3 PRO 3 HD2 PRO 3 -2.332 0.204 -2.146 28 H ILE 4 HN ILE 4 -3.312 4.108 -1.939 29 HA ILE 4 HA ILE 4 -4.814 6.239 -3.035 30 HB ILE 4 HB ILE 4 -3.899 7.663 -1.313 31 HG12 ILE 4 HG11 ILE 4 -2.122 5.249 -0.562 32 HG13 ILE 4 HG12 ILE 4 -1.571 6.838 -1.201 33 HG21 ILE 4 HG21 ILE 4 -4.976 6.448 0.534 34 HG22 ILE 4 HG22 ILE 4 -5.855 6.083 -0.985 35 HG23 ILE 4 HG23 ILE 4 -4.725 4.866 -0.278 36 HD11 ILE 4 HD1 ILE 4 -2.950 6.371 1.519 37 HD12 ILE 4 HD2 ILE 4 -1.231 6.791 1.224 38 HD13 ILE 4 HD3 ILE 4 -2.522 7.983 0.838 39 H LEU 5 HN LEU 5 -1.315 5.462 -3.263 40 HA LEU 5 HA LEU 5 -0.590 7.786 -4.673 41 HB2 LEU 5 HB1 LEU 5 0.624 4.955 -4.742 42 HB3 LEU 5 HB2 LEU 5 1.320 6.373 -5.580 43 HG LEU 5 HG LEU 5 2.625 6.122 -3.707 44 HD11 LEU 5 HD11 LEU 5 0.643 8.304 -2.826 45 HD12 LEU 5 HD12 LEU 5 1.909 8.504 -4.105 46 HD13 LEU 5 HD13 LEU 5 2.380 8.165 -2.398 47 HD21 LEU 5 HD21 LEU 5 0.190 5.932 -1.839 48 HD22 LEU 5 HD22 LEU 5 1.921 5.908 -1.369 49 HD23 LEU 5 HD23 LEU 5 1.257 4.568 -2.359 50 H ALA 6 HN ALA 6 -1.724 4.585 -5.889 51 HA ALA 6 HA ALA 6 -1.579 5.241 -8.609 52 HB1 ALA 6 HB1 ALA 6 -3.119 3.278 -8.892 53 HB2 ALA 6 HB2 ALA 6 -1.812 2.914 -7.705 54 HB3 ALA 6 HB3 ALA 6 -3.464 3.311 -7.119 55 H SER 7 HN SER 7 -4.327 5.590 -6.308 56 HA SER 7 HA SER 7 -6.154 6.665 -8.150 57 HB2 SER 7 HB1 SER 7 -6.735 5.777 -5.878 58 HB3 SER 7 HB2 SER 7 -5.943 7.202 -5.129 59 HG SER 7 HG1 SER 7 -8.272 7.372 -5.421 60 H LEU 8 HN LEU 8 -3.874 8.468 -5.932 61 HA LEU 8 HA LEU 8 -4.762 10.930 -6.938 62 HB2 LEU 8 HB1 LEU 8 -3.133 12.061 -5.646 63 HB3 LEU 8 HB2 LEU 8 -3.760 10.665 -4.726 64 HG LEU 8 HG LEU 8 -1.589 9.437 -5.640 65 HD11 LEU 8 HD11 LEU 8 0.390 10.950 -5.744 66 HD12 LEU 8 HD12 LEU 8 -0.671 12.395 -5.633 67 HD13 LEU 8 HD13 LEU 8 -0.726 11.336 -7.098 68 HD21 LEU 8 HD21 LEU 8 -2.146 9.842 -3.258 69 HD22 LEU 8 HD22 LEU 8 -1.566 11.545 -3.383 70 HD23 LEU 8 HD23 LEU 8 -0.404 10.182 -3.559 71 H ALA 9 HN ALA 9 -2.051 8.864 -8.003 72 HA ALA 9 HA ALA 9 -1.029 10.606 -9.935 73 HB1 ALA 9 HB1 ALA 9 -0.987 7.536 -9.816 74 HB2 ALA 9 HB2 ALA 9 0.094 8.571 -10.832 75 HB3 ALA 9 HB3 ALA 9 0.204 8.630 -9.034 76 H ALA 10 HN ALA 10 -3.579 8.005 -10.302 77 HA ALA 10 HA ALA 10 -3.945 8.428 -13.044 78 HB1 ALA 10 HB1 ALA 10 -5.958 7.574 -10.867 79 HB2 ALA 10 HB2 ALA 10 -6.175 7.327 -12.644 80 HB3 ALA 10 HB3 ALA 10 -4.855 6.475 -11.762 81 H LYS 11 HN LYS 11 -5.491 9.994 -10.258 82 HA LYS 11 HA LYS 11 -7.207 11.667 -11.667 83 HB2 LYS 11 HB1 LYS 11 -7.478 10.968 -9.393 84 HB3 LYS 11 HB2 LYS 11 -6.013 11.788 -8.855 85 HG2 LYS 11 HG1 LYS 11 -8.393 13.286 -10.146 86 HG3 LYS 11 HG2 LYS 11 -8.481 12.767 -8.447 87 HD2 LYS 11 HD1 LYS 11 -6.402 14.762 -9.574 88 HD3 LYS 11 HD2 LYS 11 -7.908 15.138 -8.712 89 HE2 LYS 11 HE1 LYS 11 -6.330 15.351 -6.992 90 HE3 LYS 11 HE2 LYS 11 -7.002 13.696 -6.718 91 HZ1 LYS 11 HZ1 LYS 11 -5.026 12.917 -8.100 92 HZ2 LYS 11 HZ2 LYS 11 -4.661 13.572 -6.573 93 HZ3 LYS 11 HZ3 LYS 11 -4.419 14.474 -7.974 94 H PHE 12 HN PHE 12 -3.742 12.383 -10.850 95 HA PHE 12 HA PHE 12 -3.975 14.495 -12.817 96 HB2 PHE 12 HB1 PHE 12 -3.252 16.424 -11.475 97 HB3 PHE 12 HB2 PHE 12 -4.842 15.789 -10.991 98 HD1 PHE 12 HD1 PHE 12 -4.461 17.363 -9.052 99 HD2 PHE 12 HD2 PHE 12 -1.985 13.870 -9.610 100 HE1 PHE 12 HE1 PHE 12 -3.702 17.499 -6.701 101 HE2 PHE 12 HE2 PHE 12 -1.236 14.038 -7.305 102 HZ PHE 12 HZ PHE 12 -2.085 15.837 -5.824 103 H GLY 13 HN GLY 13 -2.059 12.069 -12.067 104 HA2 GLY 13 HA1 GLY 13 0.295 13.523 -13.045 105 HA3 GLY 13 HA2 GLY 13 0.403 12.545 -11.545 106 HA PRO 14 HA PRO 14 -0.217 9.048 -14.349 107 HB2 PRO 14 HB1 PRO 14 -1.148 9.115 -16.986 108 HB3 PRO 14 HB2 PRO 14 -2.247 9.256 -15.562 109 HG2 PRO 14 HG1 PRO 14 -1.038 11.574 -17.178 110 HG3 PRO 14 HG2 PRO 14 -2.783 11.279 -16.781 111 HD2 PRO 14 HD1 PRO 14 -1.275 12.946 -15.191 112 HD3 PRO 14 HD2 PRO 14 -2.430 11.750 -14.449 113 H LYS 15 HN LYS 15 1.302 11.787 -15.830 114 HA LYS 15 HA LYS 15 2.941 10.451 -17.671 115 HB2 LYS 15 HB1 LYS 15 2.414 12.907 -17.550 116 HB3 LYS 15 HB2 LYS 15 3.625 13.085 -16.249 117 HG2 LYS 15 HG1 LYS 15 4.330 11.750 -18.927 118 HG3 LYS 15 HG2 LYS 15 4.140 13.514 -18.903 119 HD2 LYS 15 HD1 LYS 15 6.091 11.965 -17.068 120 HD3 LYS 15 HD2 LYS 15 6.543 12.563 -18.676 121 HE2 LYS 15 HE1 LYS 15 5.597 14.370 -16.337 122 HE3 LYS 15 HE2 LYS 15 7.316 14.068 -16.804 123 HZ1 LYS 15 HZ1 LYS 15 5.227 15.270 -18.554 124 HZ2 LYS 15 HZ2 LYS 15 6.839 14.985 -18.980 125 HZ3 LYS 15 HZ3 LYS 15 6.474 16.108 -17.765 126 H LEU 16 HN LEU 16 3.603 11.147 -14.167 127 HA LEU 16 HA LEU 16 6.176 9.883 -14.315 128 HB2 LEU 16 HB1 LEU 16 6.114 9.847 -11.834 129 HB3 LEU 16 HB2 LEU 16 6.034 11.462 -12.567 130 HG LEU 16 HG LEU 16 3.395 10.148 -11.824 131 HD11 LEU 16 HD11 LEU 16 4.843 9.630 -9.871 132 HD12 LEU 16 HD12 LEU 16 3.626 10.894 -9.466 133 HD13 LEU 16 HD13 LEU 16 5.340 11.360 -9.764 134 HD21 LEU 16 HD21 LEU 16 2.835 12.497 -11.170 135 HD22 LEU 16 HD22 LEU 16 3.425 12.456 -12.872 136 HD23 LEU 16 HD23 LEU 16 4.513 13.022 -11.543 137 H PHE 17 HN PHE 17 2.874 8.766 -13.477 138 HA PHE 17 HA PHE 17 3.637 6.230 -12.601 139 HB2 PHE 17 HB1 PHE 17 1.369 7.489 -12.382 140 HB3 PHE 17 HB2 PHE 17 0.999 6.936 -14.051 141 HD1 PHE 17 HD1 PHE 17 1.620 5.900 -10.528 142 HD2 PHE 17 HD2 PHE 17 0.478 4.582 -14.452 143 HE1 PHE 17 HE1 PHE 17 0.825 3.760 -9.575 144 HE2 PHE 17 HE2 PHE 17 -0.318 2.440 -13.501 145 HZ PHE 17 HZ PHE 17 -0.147 2.027 -11.060 146 H CYS 18 HN CYS 18 2.754 7.302 -15.940 147 HA CYS 18 HA CYS 18 3.047 4.761 -17.063 148 HB2 CYS 18 HB1 CYS 18 2.800 5.709 -19.219 149 HB3 CYS 18 HB2 CYS 18 1.713 6.569 -18.098 150 H LEU 19 HN LEU 19 5.599 7.294 -16.612 151 HA LEU 19 HA LEU 19 7.445 5.704 -18.112 152 HB2 LEU 19 HB1 LEU 19 9.187 7.185 -17.576 153 HB3 LEU 19 HB2 LEU 19 7.706 8.088 -17.994 154 HG LEU 19 HG LEU 19 7.388 8.194 -15.338 155 HD11 LEU 19 HD11 LEU 19 10.465 8.009 -15.640 156 HD12 LEU 19 HD12 LEU 19 9.447 6.816 -14.760 157 HD13 LEU 19 HD13 LEU 19 9.571 8.504 -14.158 158 HD21 LEU 19 HD21 LEU 19 8.541 10.401 -15.383 159 HD22 LEU 19 HD22 LEU 19 7.583 10.124 -16.890 160 HD23 LEU 19 HD23 LEU 19 9.381 9.941 -16.912 161 H VAL 20 HN VAL 20 6.796 5.912 -14.571 162 HA VAL 20 HA VAL 20 8.798 4.121 -13.796 163 HB VAL 20 HB VAL 20 6.128 4.878 -12.541 164 HG11 VAL 20 HG11 VAL 20 8.471 3.228 -11.353 165 HG12 VAL 20 HG12 VAL 20 7.139 3.958 -10.390 166 HG13 VAL 20 HG13 VAL 20 6.772 2.660 -11.573 167 HG21 VAL 20 HG21 VAL 20 7.620 6.263 -11.069 168 HG22 VAL 20 HG22 VAL 20 9.068 5.681 -11.964 169 HG23 VAL 20 HG23 VAL 20 7.853 6.725 -12.791 170 H THR 21 HN THR 21 5.422 3.440 -14.790 171 HA THR 21 HA THR 21 5.878 0.575 -14.409 172 HB THR 21 HB THR 21 3.535 0.279 -15.128 173 HG1 THR 21 HG1 THR 21 3.360 3.089 -15.096 174 HG21 THR 21 HG21 THR 21 3.902 2.523 -13.021 175 HG22 THR 21 HG22 THR 21 4.082 0.757 -12.718 176 HG23 THR 21 HG23 THR 21 2.484 1.433 -13.199 177 H LYS 22 HN LYS 22 7.094 2.432 -16.606 178 HA LYS 22 HA LYS 22 7.419 2.627 -18.732 179 HB2 LYS 22 HB1 LYS 22 9.057 0.971 -17.929 180 HB3 LYS 22 HB2 LYS 22 8.005 -0.348 -18.511 181 HG2 LYS 22 HG1 LYS 22 9.852 0.057 -20.080 182 HG3 LYS 22 HG2 LYS 22 8.293 0.435 -20.868 183 HD2 LYS 22 HD1 LYS 22 8.750 2.936 -20.392 184 HD3 LYS 22 HD2 LYS 22 10.306 2.448 -19.668 185 HE2 LYS 22 HE1 LYS 22 10.723 3.265 -21.937 186 HE3 LYS 22 HE2 LYS 22 11.013 1.479 -21.927 187 HZ1 LYS 22 HZ1 LYS 22 8.770 1.194 -22.824 188 HZ2 LYS 22 HZ2 LYS 22 9.706 2.186 -23.836 189 HZ3 LYS 22 HZ3 LYS 22 8.531 2.864 -22.832 190 H LYS 23 HN LYS 23 4.979 3.003 -18.855 191 HA LYS 23 HA LYS 23 3.913 1.412 -21.121 192 HB2 LYS 23 HB1 LYS 23 2.507 3.447 -19.317 193 HB3 LYS 23 HB2 LYS 23 1.714 2.434 -20.558 194 HG2 LYS 23 HG1 LYS 23 3.114 1.292 -18.031 195 HG3 LYS 23 HG2 LYS 23 1.440 1.855 -18.068 196 HD2 LYS 23 HD1 LYS 23 1.338 -0.498 -18.257 197 HD3 LYS 23 HD2 LYS 23 0.801 0.216 -19.797 198 HE2 LYS 23 HE1 LYS 23 2.149 -1.876 -20.094 199 HE3 LYS 23 HE2 LYS 23 2.910 -0.468 -20.918 200 HZ1 LYS 23 HZ1 LYS 23 4.102 -2.153 -19.082 201 HZ2 LYS 23 HZ2 LYS 23 3.873 -0.704 -18.233 202 HZ3 LYS 23 HZ3 LYS 23 4.688 -0.680 -19.673 203 H CYS 24 HN CYS 24 5.429 4.416 -20.237 204 HA CYS 24 HA CYS 24 4.588 5.769 -22.647 205 HB2 CYS 24 HB2 CYS 24 6.936 6.337 -20.756 206 HB3 CYS 24 HB1 CYS 24 6.442 7.388 -22.124 Start of MODEL 12 1 H1 PHE 1 HN PHE 1 1.644 -2.185 -0.572 2 HA PHE 1 HA PHE 1 1.035 -2.017 -2.994 3 HB2 PHE 1 HB1 PHE 1 -1.242 -1.575 -0.934 4 HB3 PHE 1 HB2 PHE 1 -1.476 -2.209 -2.611 5 HD1 PHE 1 HD1 PHE 1 -0.191 -4.339 -3.264 6 HD2 PHE 1 HD2 PHE 1 -0.734 -3.080 0.809 7 HE1 PHE 1 HE1 PHE 1 0.272 -6.647 -2.485 8 HE2 PHE 1 HE2 PHE 1 -0.271 -5.383 1.584 9 HZ PHE 1 HZ PHE 1 0.234 -7.168 -0.059 10 H LEU 2 HN LEU 2 0.578 0.668 -0.927 11 HA LEU 2 HA LEU 2 -0.065 2.797 -1.161 12 HB2 LEU 2 HB1 LEU 2 1.553 2.533 -3.716 13 HB3 LEU 2 HB2 LEU 2 1.232 4.062 -2.832 14 HG LEU 2 HG LEU 2 2.812 1.665 -1.729 15 HD11 LEU 2 HD11 LEU 2 3.980 2.839 -3.597 16 HD12 LEU 2 HD12 LEU 2 4.802 3.113 -2.016 17 HD13 LEU 2 HD13 LEU 2 3.781 4.413 -2.733 18 HD21 LEU 2 HD21 LEU 2 3.503 3.262 0.085 19 HD22 LEU 2 HD22 LEU 2 1.738 2.942 0.135 20 HD23 LEU 2 HD23 LEU 2 2.359 4.492 -0.557 21 HA PRO 3 HA PRO 3 -3.409 2.274 -4.394 22 HB2 PRO 3 HB1 PRO 3 -5.702 2.451 -2.779 23 HB3 PRO 3 HB2 PRO 3 -4.795 0.913 -3.038 24 HG2 PRO 3 HG1 PRO 3 -4.471 2.880 -0.700 25 HG3 PRO 3 HG2 PRO 3 -4.735 1.091 -0.621 26 HD2 PRO 3 HD1 PRO 3 -2.201 2.155 -0.458 27 HD3 PRO 3 HD2 PRO 3 -2.501 0.639 -1.423 28 H ILE 4 HN ILE 4 -3.068 4.580 -1.736 29 HA ILE 4 HA ILE 4 -4.459 6.716 -2.899 30 HB ILE 4 HB ILE 4 -3.092 8.165 -1.414 31 HG12 ILE 4 HG11 ILE 4 -1.765 5.516 -0.523 32 HG13 ILE 4 HG12 ILE 4 -0.951 6.817 -1.458 33 HG21 ILE 4 HG21 ILE 4 -5.257 7.036 -0.774 34 HG22 ILE 4 HG22 ILE 4 -4.323 5.646 -0.101 35 HG23 ILE 4 HG23 ILE 4 -4.166 7.282 0.627 36 HD11 ILE 4 HD1 ILE 4 -2.082 7.086 1.402 37 HD12 ILE 4 HD2 ILE 4 -0.355 7.034 0.914 38 HD13 ILE 4 HD3 ILE 4 -1.379 8.434 0.436 39 H LEU 5 HN LEU 5 -1.123 5.572 -3.486 40 HA LEU 5 HA LEU 5 -0.333 7.823 -5.030 41 HB2 LEU 5 HB1 LEU 5 1.188 6.229 -3.850 42 HB3 LEU 5 HB2 LEU 5 0.792 4.963 -5.044 43 HG LEU 5 HG LEU 5 1.915 7.690 -5.905 44 HD11 LEU 5 HD11 LEU 5 3.404 6.835 -4.093 45 HD12 LEU 5 HD12 LEU 5 4.221 6.769 -5.697 46 HD13 LEU 5 HD13 LEU 5 3.562 5.261 -4.960 47 HD21 LEU 5 HD21 LEU 5 1.187 6.206 -7.788 48 HD22 LEU 5 HD22 LEU 5 2.161 4.848 -7.104 49 HD23 LEU 5 HD23 LEU 5 2.980 6.319 -7.744 50 H ALA 6 HN ALA 6 -1.716 4.606 -5.859 51 HA ALA 6 HA ALA 6 -1.793 5.015 -8.640 52 HB1 ALA 6 HB1 ALA 6 -2.080 2.791 -7.517 53 HB2 ALA 6 HB2 ALA 6 -3.646 3.346 -6.826 54 HB3 ALA 6 HB3 ALA 6 -3.466 3.147 -8.611 55 H SER 7 HN SER 7 -4.259 5.747 -6.136 56 HA SER 7 HA SER 7 -6.198 6.820 -7.857 57 HB2 SER 7 HB1 SER 7 -6.559 6.155 -5.459 58 HB3 SER 7 HB2 SER 7 -5.623 7.597 -4.938 59 HG SER 7 HG1 SER 7 -7.962 7.865 -4.999 60 H LEU 8 HN LEU 8 -3.565 8.627 -6.066 61 HA LEU 8 HA LEU 8 -4.340 11.064 -7.241 62 HB2 LEU 8 HB1 LEU 8 -2.551 12.140 -6.205 63 HB3 LEU 8 HB2 LEU 8 -3.108 10.850 -5.106 64 HG LEU 8 HG LEU 8 -1.114 9.459 -6.220 65 HD11 LEU 8 HD11 LEU 8 0.880 10.881 -6.649 66 HD12 LEU 8 HD12 LEU 8 -0.135 12.377 -6.532 67 HD13 LEU 8 HD13 LEU 8 -0.399 11.188 -7.883 68 HD21 LEU 8 HD21 LEU 8 -1.360 10.033 -3.809 69 HD22 LEU 8 HD22 LEU 8 -0.698 11.682 -4.118 70 HD23 LEU 8 HD23 LEU 8 0.348 10.232 -4.347 71 H ALA 9 HN ALA 9 -1.996 8.597 -8.359 72 HA ALA 9 HA ALA 9 -0.986 10.041 -10.515 73 HB1 ALA 9 HB1 ALA 9 -1.474 7.022 -10.190 74 HB2 ALA 9 HB2 ALA 9 -0.416 7.774 -11.444 75 HB3 ALA 9 HB3 ALA 9 0.004 7.915 -9.694 76 H ALA 10 HN ALA 10 -3.892 7.865 -10.407 77 HA ALA 10 HA ALA 10 -4.662 8.308 -13.069 78 HB1 ALA 10 HB1 ALA 10 -6.873 7.407 -12.280 79 HB2 ALA 10 HB2 ALA 10 -5.501 6.444 -11.616 80 HB3 ALA 10 HB3 ALA 10 -6.338 7.639 -10.569 81 H LYS 11 HN LYS 11 -5.593 10.047 -10.082 82 HA LYS 11 HA LYS 11 -7.449 11.793 -11.181 83 HB2 LYS 11 HB1 LYS 11 -7.139 11.342 -8.761 84 HB3 LYS 11 HB2 LYS 11 -5.489 12.010 -8.837 85 HG2 LYS 11 HG1 LYS 11 -6.487 14.291 -9.389 86 HG3 LYS 11 HG2 LYS 11 -8.115 13.596 -9.090 87 HD2 LYS 11 HD1 LYS 11 -7.509 13.039 -6.765 88 HD3 LYS 11 HD2 LYS 11 -5.798 13.452 -7.043 89 HE2 LYS 11 HE1 LYS 11 -8.152 15.467 -7.067 90 HE3 LYS 11 HE2 LYS 11 -6.954 15.237 -5.730 91 HZ1 LYS 11 HZ1 LYS 11 -6.352 16.091 -8.518 92 HZ2 LYS 11 HZ2 LYS 11 -5.197 15.828 -7.327 93 HZ3 LYS 11 HZ3 LYS 11 -6.326 17.077 -7.134 94 H PHE 12 HN PHE 12 -3.904 12.373 -10.776 95 HA PHE 12 HA PHE 12 -3.968 14.293 -12.878 96 HB2 PHE 12 HB1 PHE 12 -3.473 16.368 -11.788 97 HB3 PHE 12 HB2 PHE 12 -5.051 15.751 -11.240 98 HD1 PHE 12 HD1 PHE 12 -3.669 18.002 -9.946 99 HD2 PHE 12 HD2 PHE 12 -3.315 13.787 -9.137 100 HE1 PHE 12 HE1 PHE 12 -3.040 18.492 -7.602 101 HE2 PHE 12 HE2 PHE 12 -2.694 14.285 -6.826 102 HZ PHE 12 HZ PHE 12 -2.554 16.630 -6.037 103 H GLY 13 HN GLY 13 -2.239 11.951 -11.705 104 HA2 GLY 13 HA1 GLY 13 0.323 13.328 -12.321 105 HA3 GLY 13 HA2 GLY 13 0.130 12.121 -11.021 106 HA PRO 14 HA PRO 14 -0.166 9.044 -14.190 107 HB2 PRO 14 HB1 PRO 14 -1.041 9.261 -16.825 108 HB3 PRO 14 HB2 PRO 14 -2.171 9.354 -15.422 109 HG2 PRO 14 HG1 PRO 14 -0.894 11.733 -16.895 110 HG3 PRO 14 HG2 PRO 14 -2.652 11.438 -16.558 111 HD2 PRO 14 HD1 PRO 14 -1.158 13.002 -14.840 112 HD3 PRO 14 HD2 PRO 14 -2.367 11.794 -14.209 113 H LYS 15 HN LYS 15 1.315 11.891 -15.575 114 HA LYS 15 HA LYS 15 2.893 10.645 -17.514 115 HB2 LYS 15 HB1 LYS 15 2.333 13.192 -16.940 116 HB3 LYS 15 HB2 LYS 15 3.906 13.155 -16.108 117 HG2 LYS 15 HG1 LYS 15 3.310 12.501 -19.080 118 HG3 LYS 15 HG2 LYS 15 3.965 14.041 -18.454 119 HD2 LYS 15 HD1 LYS 15 6.021 12.819 -17.641 120 HD3 LYS 15 HD2 LYS 15 5.380 11.309 -18.376 121 HE2 LYS 15 HE1 LYS 15 5.387 12.390 -20.651 122 HE3 LYS 15 HE2 LYS 15 6.088 13.893 -19.928 123 HZ1 LYS 15 HZ1 LYS 15 7.322 11.182 -19.813 124 HZ2 LYS 15 HZ2 LYS 15 7.994 12.623 -19.227 125 HZ3 LYS 15 HZ3 LYS 15 7.758 12.417 -20.893 126 H LEU 16 HN LEU 16 3.737 11.326 -14.055 127 HA LEU 16 HA LEU 16 6.317 10.137 -14.273 128 HB2 LEU 16 HB1 LEU 16 6.284 10.092 -11.779 129 HB3 LEU 16 HB2 LEU 16 6.097 11.703 -12.501 130 HG LEU 16 HG LEU 16 3.561 10.208 -11.716 131 HD11 LEU 16 HD11 LEU 16 3.772 11.012 -9.379 132 HD12 LEU 16 HD12 LEU 16 5.438 11.607 -9.715 133 HD13 LEU 16 HD13 LEU 16 5.079 9.841 -9.781 134 HD21 LEU 16 HD21 LEU 16 3.365 12.490 -12.794 135 HD22 LEU 16 HD22 LEU 16 4.451 13.166 -11.517 136 HD23 LEU 16 HD23 LEU 16 2.836 12.516 -11.075 137 H PHE 17 HN PHE 17 3.107 8.868 -13.319 138 HA PHE 17 HA PHE 17 3.953 6.351 -12.500 139 HB2 PHE 17 HB1 PHE 17 1.675 7.555 -12.194 140 HB3 PHE 17 HB2 PHE 17 1.262 7.036 -13.863 141 HD1 PHE 17 HD1 PHE 17 2.074 5.899 -10.400 142 HD2 PHE 17 HD2 PHE 17 0.680 4.718 -14.287 143 HE1 PHE 17 HE1 PHE 17 1.317 3.736 -9.469 144 HE2 PHE 17 HE2 PHE 17 -0.077 2.553 -13.357 145 HZ PHE 17 HZ PHE 17 0.237 2.061 -10.944 146 H CYS 18 HN CYS 18 2.957 7.463 -15.757 147 HA CYS 18 HA CYS 18 3.313 5.115 -17.185 148 HB2 CYS 18 HB1 CYS 18 3.565 8.087 -17.835 149 HB3 CYS 18 HB2 CYS 18 4.031 6.896 -19.077 150 H LEU 19 HN LEU 19 5.856 7.508 -16.251 151 HA LEU 19 HA LEU 19 7.885 6.142 -17.746 152 HB2 LEU 19 HB1 LEU 19 8.046 8.087 -15.380 153 HB3 LEU 19 HB2 LEU 19 9.469 7.510 -16.301 154 HG LEU 19 HG LEU 19 7.137 9.105 -17.512 155 HD11 LEU 19 HD11 LEU 19 8.413 10.435 -15.836 156 HD12 LEU 19 HD12 LEU 19 8.757 11.036 -17.503 157 HD13 LEU 19 HD13 LEU 19 9.959 10.002 -16.644 158 HD21 LEU 19 HD21 LEU 19 8.773 9.442 -19.442 159 HD22 LEU 19 HD22 LEU 19 8.266 7.728 -19.233 160 HD23 LEU 19 HD23 LEU 19 9.883 8.268 -18.649 161 H VAL 20 HN VAL 20 6.970 6.082 -14.257 162 HA VAL 20 HA VAL 20 8.946 4.285 -13.443 163 HB VAL 20 HB VAL 20 6.197 4.947 -12.298 164 HG11 VAL 20 HG11 VAL 20 6.880 2.734 -11.347 165 HG12 VAL 20 HG12 VAL 20 8.544 3.359 -11.037 166 HG13 VAL 20 HG13 VAL 20 7.142 4.018 -10.123 167 HG21 VAL 20 HG21 VAL 20 7.567 6.354 -10.732 168 HG22 VAL 20 HG22 VAL 20 9.074 5.845 -11.571 169 HG23 VAL 20 HG23 VAL 20 7.862 6.864 -12.431 170 H THR 21 HN THR 21 5.613 3.604 -14.578 171 HA THR 21 HA THR 21 6.105 0.734 -14.255 172 HB THR 21 HB THR 21 3.770 0.407 -14.912 173 HG1 THR 21 HG1 THR 21 3.562 3.225 -14.901 174 HG21 THR 21 HG21 THR 21 4.363 0.898 -12.508 175 HG22 THR 21 HG22 THR 21 2.731 1.512 -12.955 176 HG23 THR 21 HG23 THR 21 4.108 2.656 -12.806 177 H LYS 22 HN LYS 22 7.146 2.773 -16.472 178 HA LYS 22 HA LYS 22 7.623 2.855 -18.588 179 HB2 LYS 22 HB1 LYS 22 9.101 1.063 -17.646 180 HB3 LYS 22 HB2 LYS 22 7.972 -0.159 -18.286 181 HG2 LYS 22 HG1 LYS 22 9.852 -0.026 -19.775 182 HG3 LYS 22 HG2 LYS 22 8.454 0.686 -20.640 183 HD2 LYS 22 HD1 LYS 22 9.295 3.004 -19.991 184 HD3 LYS 22 HD2 LYS 22 10.731 2.257 -19.246 185 HE2 LYS 22 HE1 LYS 22 9.911 2.112 -22.243 186 HE3 LYS 22 HE2 LYS 22 11.194 3.178 -21.547 187 HZ1 LYS 22 HZ1 LYS 22 12.384 1.192 -20.851 188 HZ2 LYS 22 HZ2 LYS 22 12.117 1.188 -22.526 189 HZ3 LYS 22 HZ3 LYS 22 11.181 0.200 -21.517 190 H LYS 23 HN LYS 23 5.205 3.382 -18.850 191 HA LYS 23 HA LYS 23 3.988 1.516 -20.834 192 HB2 LYS 23 HB1 LYS 23 2.647 3.574 -19.001 193 HB3 LYS 23 HB2 LYS 23 1.781 2.508 -20.143 194 HG2 LYS 23 HG1 LYS 23 3.446 1.428 -17.774 195 HG3 LYS 23 HG2 LYS 23 1.775 1.984 -17.622 196 HD2 LYS 23 HD1 LYS 23 1.647 -0.364 -17.791 197 HD3 LYS 23 HD2 LYS 23 0.955 0.338 -19.274 198 HE2 LYS 23 HE1 LYS 23 2.282 -1.758 -19.677 199 HE3 LYS 23 HE2 LYS 23 2.940 -0.357 -20.598 200 HZ1 LYS 23 HZ1 LYS 23 4.381 -1.986 -18.967 201 HZ2 LYS 23 HZ2 LYS 23 4.131 -0.628 -17.979 202 HZ3 LYS 23 HZ3 LYS 23 4.822 -0.433 -19.468 203 H CYS 24 HN CYS 24 4.751 5.004 -20.238 204 HA CYS 24 HA CYS 24 4.521 5.436 -23.055 205 HB2 CYS 24 HB1 CYS 24 2.657 7.112 -23.010 206 HB3 CYS 24 HB2 CYS 24 2.119 5.457 -22.649 Start of MODEL 13 1 H1 PHE 1 HN PHE 1 0.251 -1.158 0.631 2 HA PHE 1 HA PHE 1 0.345 1.278 0.774 3 HB2 PHE 1 HB1 PHE 1 2.600 0.055 -0.967 4 HB3 PHE 1 HB2 PHE 1 2.728 1.581 -0.008 5 HD1 PHE 1 HD1 PHE 1 2.245 1.411 2.537 6 HD2 PHE 1 HD2 PHE 1 3.155 -1.985 0.062 7 HE1 PHE 1 HE1 PHE 1 2.894 0.119 4.545 8 HE2 PHE 1 HE2 PHE 1 3.807 -3.274 2.077 9 HZ PHE 1 HZ PHE 1 3.673 -2.222 4.318 10 H LEU 2 HN LEU 2 0.062 -0.157 -2.374 11 HA LEU 2 HA LEU 2 0.382 2.365 -3.738 12 HB2 LEU 2 HB1 LEU 2 -0.226 -0.407 -4.878 13 HB3 LEU 2 HB2 LEU 2 0.190 1.063 -5.810 14 HG LEU 2 HG LEU 2 2.348 1.065 -4.195 15 HD11 LEU 2 HD11 LEU 2 1.664 -1.939 -4.486 16 HD12 LEU 2 HD12 LEU 2 1.777 -1.036 -2.929 17 HD13 LEU 2 HD13 LEU 2 3.242 -1.264 -3.941 18 HD21 LEU 2 HD21 LEU 2 2.023 -0.670 -6.721 19 HD22 LEU 2 HD22 LEU 2 3.577 -0.044 -6.053 20 HD23 LEU 2 HD23 LEU 2 2.341 1.109 -6.679 21 HA PRO 3 HA PRO 3 -4.120 1.826 -5.078 22 HB2 PRO 3 HB1 PRO 3 -6.097 1.988 -3.108 23 HB3 PRO 3 HB2 PRO 3 -5.399 0.430 -3.688 24 HG2 PRO 3 HG1 PRO 3 -4.562 2.031 -1.211 25 HG3 PRO 3 HG2 PRO 3 -4.943 0.267 -1.321 26 HD2 PRO 3 HD1 PRO 3 -2.367 1.221 -1.410 27 HD3 PRO 3 HD2 PRO 3 -2.853 -0.195 -2.449 28 H ILE 4 HN ILE 4 -3.283 3.793 -2.199 29 HA ILE 4 HA ILE 4 -4.582 6.135 -3.110 30 HB ILE 4 HB ILE 4 -2.998 7.326 -1.545 31 HG12 ILE 4 HG11 ILE 4 -2.198 4.454 -0.719 32 HG13 ILE 4 HG12 ILE 4 -1.138 5.550 -1.660 33 HG21 ILE 4 HG21 ILE 4 -4.686 4.966 -0.468 34 HG22 ILE 4 HG22 ILE 4 -4.256 6.471 0.418 35 HG23 ILE 4 HG23 ILE 4 -5.333 6.560 -1.013 36 HD11 ILE 4 HD1 ILE 4 -0.524 5.651 0.715 37 HD12 ILE 4 HD2 ILE 4 -1.215 7.236 0.217 38 HD13 ILE 4 HD3 ILE 4 -2.201 6.083 1.189 39 H LEU 5 HN LEU 5 -1.256 4.915 -3.684 40 HA LEU 5 HA LEU 5 -0.375 7.082 -5.240 41 HB2 LEU 5 HB1 LEU 5 0.407 4.137 -5.050 42 HB3 LEU 5 HB2 LEU 5 1.118 5.161 -6.329 43 HG LEU 5 HG LEU 5 2.615 4.925 -4.438 44 HD11 LEU 5 HD11 LEU 5 1.638 7.832 -4.750 45 HD12 LEU 5 HD12 LEU 5 2.723 6.953 -5.895 46 HD13 LEU 5 HD13 LEU 5 3.263 7.288 -4.207 47 HD21 LEU 5 HD21 LEU 5 2.277 6.002 -2.265 48 HD22 LEU 5 HD22 LEU 5 0.983 4.785 -2.542 49 HD23 LEU 5 HD23 LEU 5 0.633 6.550 -2.732 50 H ALA 6 HN ALA 6 -2.079 4.061 -6.231 51 HA ALA 6 HA ALA 6 -2.141 4.643 -8.973 52 HB1 ALA 6 HB1 ALA 6 -4.128 3.052 -7.236 53 HB2 ALA 6 HB2 ALA 6 -3.974 2.931 -9.030 54 HB3 ALA 6 HB3 ALA 6 -2.623 2.393 -7.964 55 H SER 7 HN SER 7 -4.508 5.469 -6.395 56 HA SER 7 HA SER 7 -6.373 6.749 -8.050 57 HB2 SER 7 HB1 SER 7 -6.754 6.033 -5.664 58 HB3 SER 7 HB2 SER 7 -5.720 7.394 -5.115 59 HG SER 7 HG1 SER 7 -8.001 7.868 -5.131 60 H LEU 8 HN LEU 8 -3.619 8.291 -6.195 61 HA LEU 8 HA LEU 8 -4.191 10.819 -7.305 62 HB2 LEU 8 HB1 LEU 8 -2.248 11.691 -6.268 63 HB3 LEU 8 HB2 LEU 8 -3.074 10.550 -5.178 64 HG LEU 8 HG LEU 8 -1.301 8.800 -6.111 65 HD11 LEU 8 HD11 LEU 8 0.203 11.484 -6.449 66 HD12 LEU 8 HD12 LEU 8 -0.169 10.324 -7.781 67 HD13 LEU 8 HD13 LEU 8 0.951 9.847 -6.456 68 HD21 LEU 8 HD21 LEU 8 0.163 9.396 -4.164 69 HD22 LEU 8 HD22 LEU 8 -1.585 9.494 -3.746 70 HD23 LEU 8 HD23 LEU 8 -0.645 11.002 -4.051 71 H ALA 9 HN ALA 9 -2.082 8.201 -8.483 72 HA ALA 9 HA ALA 9 -0.887 9.570 -10.585 73 HB1 ALA 9 HB1 ALA 9 -0.162 7.322 -9.850 74 HB2 ALA 9 HB2 ALA 9 -1.744 6.630 -10.349 75 HB3 ALA 9 HB3 ALA 9 -0.615 7.274 -11.598 76 H ALA 10 HN ALA 10 -4.070 7.831 -10.557 77 HA ALA 10 HA ALA 10 -4.740 8.582 -13.213 78 HB1 ALA 10 HB1 ALA 10 -7.054 7.909 -12.503 79 HB2 ALA 10 HB2 ALA 10 -5.831 6.704 -11.955 80 HB3 ALA 10 HB3 ALA 10 -6.503 7.885 -10.783 81 H LYS 11 HN LYS 11 -5.461 10.101 -10.045 82 HA LYS 11 HA LYS 11 -7.158 12.049 -11.008 83 HB2 LYS 11 HB1 LYS 11 -6.946 11.160 -8.685 84 HB3 LYS 11 HB2 LYS 11 -5.467 12.125 -8.445 85 HG2 LYS 11 HG1 LYS 11 -8.140 13.402 -9.266 86 HG3 LYS 11 HG2 LYS 11 -7.838 12.941 -7.572 87 HD2 LYS 11 HD1 LYS 11 -6.322 14.575 -7.123 88 HD3 LYS 11 HD2 LYS 11 -5.578 14.521 -8.727 89 HE2 LYS 11 HE1 LYS 11 -8.229 15.966 -8.035 90 HE3 LYS 11 HE2 LYS 11 -6.617 16.721 -8.368 91 HZ1 LYS 11 HZ1 LYS 11 -6.803 15.363 -10.551 92 HZ2 LYS 11 HZ2 LYS 11 -7.668 16.819 -10.410 93 HZ3 LYS 11 HZ3 LYS 11 -8.438 15.312 -10.220 94 H PHE 12 HN PHE 12 -3.619 12.362 -10.530 95 HA PHE 12 HA PHE 12 -3.588 14.361 -12.572 96 HB2 PHE 12 HB1 PHE 12 -2.460 16.229 -11.226 97 HB3 PHE 12 HB2 PHE 12 -4.218 16.009 -11.039 98 HD1 PHE 12 HD1 PHE 12 -4.056 17.475 -9.070 99 HD2 PHE 12 HD2 PHE 12 -1.992 13.686 -9.144 100 HE1 PHE 12 HE1 PHE 12 -3.815 17.537 -6.606 101 HE2 PHE 12 HE2 PHE 12 -1.747 13.783 -6.717 102 HZ PHE 12 HZ PHE 12 -2.671 15.682 -5.429 103 H GLY 13 HN GLY 13 -2.002 11.843 -11.182 104 HA2 GLY 13 HA1 GLY 13 0.669 12.870 -11.826 105 HA3 GLY 13 HA2 GLY 13 0.234 11.370 -10.986 106 HA PRO 14 HA PRO 14 -0.247 9.174 -14.646 107 HB2 PRO 14 HB1 PRO 14 -1.263 9.873 -17.147 108 HB3 PRO 14 HB2 PRO 14 -2.299 9.719 -15.676 109 HG2 PRO 14 HG1 PRO 14 -1.059 12.314 -16.763 110 HG3 PRO 14 HG2 PRO 14 -2.801 11.983 -16.375 111 HD2 PRO 14 HD1 PRO 14 -1.161 13.177 -14.516 112 HD3 PRO 14 HD2 PRO 14 -2.353 11.888 -14.015 113 H LYS 15 HN LYS 15 1.366 12.145 -15.549 114 HA LYS 15 HA LYS 15 2.927 11.095 -17.681 115 HB2 LYS 15 HB1 LYS 15 3.475 13.375 -15.714 116 HB3 LYS 15 HB2 LYS 15 4.475 13.081 -17.161 117 HG2 LYS 15 HG1 LYS 15 1.449 13.542 -17.499 118 HG3 LYS 15 HG2 LYS 15 2.530 14.892 -17.081 119 HD2 LYS 15 HD1 LYS 15 2.298 14.981 -19.406 120 HD3 LYS 15 HD2 LYS 15 3.970 14.438 -19.065 121 HE2 LYS 15 HE1 LYS 15 3.354 12.087 -19.716 122 HE3 LYS 15 HE2 LYS 15 1.630 12.592 -19.941 123 HZ1 LYS 15 HZ1 LYS 15 2.832 12.519 -22.031 124 HZ2 LYS 15 HZ2 LYS 15 3.970 13.641 -21.470 125 HZ3 LYS 15 HZ3 LYS 15 2.357 14.103 -21.679 126 H LEU 16 HN LEU 16 3.704 11.329 -14.123 127 HA LEU 16 HA LEU 16 6.172 9.952 -14.477 128 HB2 LEU 16 HB1 LEU 16 6.211 9.701 -12.022 129 HB3 LEU 16 HB2 LEU 16 6.113 11.381 -12.589 130 HG LEU 16 HG LEU 16 3.522 9.974 -11.802 131 HD11 LEU 16 HD11 LEU 16 5.112 9.397 -9.977 132 HD12 LEU 16 HD12 LEU 16 3.893 10.605 -9.427 133 HD13 LEU 16 HD13 LEU 16 5.570 11.133 -9.815 134 HD21 LEU 16 HD21 LEU 16 3.391 12.331 -12.706 135 HD22 LEU 16 HD22 LEU 16 4.595 12.860 -11.467 136 HD23 LEU 16 HD23 LEU 16 2.975 12.280 -10.955 137 H PHE 17 HN PHE 17 2.867 8.884 -13.594 138 HA PHE 17 HA PHE 17 3.541 6.225 -13.119 139 HB2 PHE 17 HB1 PHE 17 1.366 7.339 -12.515 140 HB3 PHE 17 HB2 PHE 17 0.934 7.416 -14.257 141 HD1 PHE 17 HD1 PHE 17 2.441 4.577 -12.216 142 HD2 PHE 17 HD2 PHE 17 -0.980 6.049 -14.371 143 HE1 PHE 17 HE1 PHE 17 1.340 2.395 -11.960 144 HE2 PHE 17 HE2 PHE 17 -2.091 3.857 -14.089 145 HZ PHE 17 HZ PHE 17 -0.928 2.021 -12.893 146 H CYS 18 HN CYS 18 2.893 7.847 -16.237 147 HA CYS 18 HA CYS 18 2.941 5.573 -17.873 148 HB2 CYS 18 HB1 CYS 18 2.186 7.886 -18.496 149 HB3 CYS 18 HB2 CYS 18 3.884 8.431 -18.476 150 H LEU 19 HN LEU 19 5.758 7.721 -16.900 151 HA LEU 19 HA LEU 19 7.522 6.068 -18.401 152 HB2 LEU 19 HB1 LEU 19 9.327 7.450 -17.716 153 HB3 LEU 19 HB2 LEU 19 7.911 8.430 -18.171 154 HG LEU 19 HG LEU 19 7.490 8.346 -15.478 155 HD11 LEU 19 HD11 LEU 19 9.655 8.659 -14.280 156 HD12 LEU 19 HD12 LEU 19 10.567 8.306 -15.790 157 HD13 LEU 19 HD13 LEU 19 9.596 7.011 -15.002 158 HD21 LEU 19 HD21 LEU 19 9.391 10.270 -16.956 159 HD22 LEU 19 HD22 LEU 19 8.559 10.600 -15.393 160 HD23 LEU 19 HD23 LEU 19 7.589 10.382 -16.899 161 H VAL 20 HN VAL 20 6.814 6.155 -14.878 162 HA VAL 20 HA VAL 20 8.917 4.565 -14.079 163 HB VAL 20 HB VAL 20 6.172 5.056 -12.873 164 HG11 VAL 20 HG11 VAL 20 7.202 4.221 -10.695 165 HG12 VAL 20 HG12 VAL 20 6.957 2.894 -11.880 166 HG13 VAL 20 HG13 VAL 20 8.603 3.588 -11.627 167 HG21 VAL 20 HG21 VAL 20 9.028 6.068 -12.211 168 HG22 VAL 20 HG22 VAL 20 7.781 7.023 -13.091 169 HG23 VAL 20 HG23 VAL 20 7.514 6.556 -11.373 170 H THR 21 HN THR 21 5.695 3.383 -15.191 171 HA THR 21 HA THR 21 6.680 0.652 -14.657 172 HB THR 21 HB THR 21 4.587 -0.238 -14.831 173 HG1 THR 21 HG1 THR 21 3.897 0.679 -16.650 174 HG21 THR 21 HG21 THR 21 3.197 1.085 -13.284 175 HG22 THR 21 HG22 THR 21 4.102 2.595 -13.672 176 HG23 THR 21 HG23 THR 21 4.924 1.245 -12.804 177 H LYS 22 HN LYS 22 7.590 2.492 -17.011 178 HA LYS 22 HA LYS 22 7.867 2.490 -19.182 179 HB2 LYS 22 HB1 LYS 22 9.425 0.792 -18.608 180 HB3 LYS 22 HB2 LYS 22 8.166 -0.470 -18.633 181 HG2 LYS 22 HG1 LYS 22 9.774 -0.545 -20.583 182 HG3 LYS 22 HG2 LYS 22 8.042 -0.524 -20.986 183 HD2 LYS 22 HD1 LYS 22 8.263 2.015 -21.419 184 HD3 LYS 22 HD2 LYS 22 10.045 1.788 -21.326 185 HE2 LYS 22 HE1 LYS 22 9.935 0.201 -23.271 186 HE3 LYS 22 HE2 LYS 22 8.128 0.223 -23.210 187 HZ1 LYS 22 HZ1 LYS 22 8.944 1.655 -24.937 188 HZ2 LYS 22 HZ2 LYS 22 9.869 2.561 -23.837 189 HZ3 LYS 22 HZ3 LYS 22 8.180 2.567 -23.742 190 H LYS 23 HN LYS 23 5.351 3.060 -18.759 191 HA LYS 23 HA LYS 23 3.678 1.429 -20.553 192 HB2 LYS 23 HB1 LYS 23 3.014 1.712 -18.247 193 HB3 LYS 23 HB2 LYS 23 3.150 3.500 -18.358 194 HG2 LYS 23 HG1 LYS 23 1.155 3.578 -19.808 195 HG3 LYS 23 HG2 LYS 23 1.172 1.807 -20.010 196 HD2 LYS 23 HD1 LYS 23 -0.595 2.528 -18.477 197 HD3 LYS 23 HD2 LYS 23 0.535 1.416 -17.669 198 HE2 LYS 23 HE1 LYS 23 0.902 4.468 -17.372 199 HE3 LYS 23 HE2 LYS 23 -0.410 3.635 -16.463 200 HZ1 LYS 23 HZ1 LYS 23 2.197 3.852 -15.677 201 HZ2 LYS 23 HZ2 LYS 23 2.123 2.273 -16.176 202 HZ3 LYS 23 HZ3 LYS 23 1.030 2.840 -15.020 203 H CYS 24 HN CYS 24 5.693 4.071 -20.721 204 HA CYS 24 HA CYS 24 4.183 5.379 -22.876 205 HB2 CYS 24 HB1 CYS 24 7.018 5.893 -21.815 206 HB3 CYS 24 HB2 CYS 24 6.231 6.821 -23.134 Start of MODEL 14 1 H1 PHE 1 HN PHE 1 1.754 -2.303 -1.023 2 HA PHE 1 HA PHE 1 0.702 -2.278 -3.302 3 HB2 PHE 1 HB1 PHE 1 -1.043 -1.356 -0.909 4 HB3 PHE 1 HB2 PHE 1 -1.680 -2.111 -2.424 5 HD1 PHE 1 HD1 PHE 1 -0.744 -4.438 -3.058 6 HD2 PHE 1 HD2 PHE 1 -0.402 -2.745 0.878 7 HE1 PHE 1 HE1 PHE 1 -0.376 -6.701 -2.112 8 HE2 PHE 1 HE2 PHE 1 -0.035 -5.003 1.818 9 HZ PHE 1 HZ PHE 1 -0.019 -6.982 0.327 10 H LEU 2 HN LEU 2 1.006 0.613 -1.510 11 HA LEU 2 HA LEU 2 0.684 2.792 -1.885 12 HB2 LEU 2 HB1 LEU 2 1.464 1.973 -4.714 13 HB3 LEU 2 HB2 LEU 2 1.667 3.611 -4.015 14 HG LEU 2 HG LEU 2 3.086 1.064 -3.035 15 HD11 LEU 2 HD11 LEU 2 3.840 1.802 -5.290 16 HD12 LEU 2 HD12 LEU 2 5.115 2.083 -4.044 17 HD13 LEU 2 HD13 LEU 2 4.135 3.468 -4.655 18 HD21 LEU 2 HD21 LEU 2 2.804 2.703 -1.158 19 HD22 LEU 2 HD22 LEU 2 3.479 4.015 -2.201 20 HD23 LEU 2 HD23 LEU 2 4.513 2.630 -1.704 21 HA PRO 3 HA PRO 3 -3.262 2.292 -4.366 22 HB2 PRO 3 HB1 PRO 3 -5.323 2.517 -2.483 23 HB3 PRO 3 HB2 PRO 3 -4.409 0.989 -2.766 24 HG2 PRO 3 HG1 PRO 3 -3.860 3.092 -0.595 25 HG3 PRO 3 HG2 PRO 3 -4.051 1.305 -0.395 26 HD2 PRO 3 HD1 PRO 3 -1.542 2.447 -0.624 27 HD3 PRO 3 HD2 PRO 3 -1.936 0.863 -1.434 28 H ILE 4 HN ILE 4 -2.939 4.746 -1.742 29 HA ILE 4 HA ILE 4 -4.508 6.663 -3.090 30 HB ILE 4 HB ILE 4 -3.673 8.321 -1.556 31 HG12 ILE 4 HG11 ILE 4 -1.766 6.117 -0.535 32 HG13 ILE 4 HG12 ILE 4 -1.304 7.642 -1.373 33 HG21 ILE 4 HG21 ILE 4 -4.343 5.630 -0.181 34 HG22 ILE 4 HG22 ILE 4 -4.678 7.285 0.433 35 HG23 ILE 4 HG23 ILE 4 -5.538 6.689 -1.022 36 HD11 ILE 4 HD1 ILE 4 -0.953 7.919 1.039 37 HD12 ILE 4 HD2 ILE 4 -2.310 8.979 0.518 38 HD13 ILE 4 HD3 ILE 4 -2.646 7.444 1.400 39 H LEU 5 HN LEU 5 -1.022 5.924 -3.337 40 HA LEU 5 HA LEU 5 -0.362 8.143 -4.956 41 HB2 LEU 5 HB1 LEU 5 0.903 5.345 -4.845 42 HB3 LEU 5 HB2 LEU 5 1.574 6.744 -5.730 43 HG LEU 5 HG LEU 5 2.861 6.527 -3.810 44 HD11 LEU 5 HD11 LEU 5 0.918 8.823 -3.151 45 HD12 LEU 5 HD12 LEU 5 2.228 8.889 -4.395 46 HD13 LEU 5 HD13 LEU 5 2.637 8.674 -2.653 47 HD21 LEU 5 HD21 LEU 5 1.339 5.122 -2.394 48 HD22 LEU 5 HD22 LEU 5 0.424 6.618 -1.943 49 HD23 LEU 5 HD23 LEU 5 2.152 6.452 -1.494 50 H ALA 6 HN ALA 6 -1.482 4.818 -5.796 51 HA ALA 6 HA ALA 6 -1.478 5.202 -8.578 52 HB1 ALA 6 HB1 ALA 6 -3.270 3.419 -6.813 53 HB2 ALA 6 HB2 ALA 6 -3.009 3.214 -8.588 54 HB3 ALA 6 HB3 ALA 6 -1.644 2.974 -7.434 55 H SER 7 HN SER 7 -4.068 5.784 -6.165 56 HA SER 7 HA SER 7 -6.024 6.685 -7.960 57 HB2 SER 7 HB1 SER 7 -6.398 6.044 -5.549 58 HB3 SER 7 HB2 SER 7 -5.625 7.587 -5.050 59 HG SER 7 HG1 SER 7 -7.951 7.675 -5.190 60 H LEU 8 HN LEU 8 -3.596 8.723 -6.123 61 HA LEU 8 HA LEU 8 -4.510 11.073 -7.366 62 HB2 LEU 8 HB1 LEU 8 -2.849 12.294 -6.290 63 HB3 LEU 8 HB2 LEU 8 -3.353 10.986 -5.191 64 HG LEU 8 HG LEU 8 -1.226 9.718 -6.183 65 HD11 LEU 8 HD11 LEU 8 -0.550 11.471 -7.878 66 HD12 LEU 8 HD12 LEU 8 0.689 11.287 -6.588 67 HD13 LEU 8 HD13 LEU 8 -0.438 12.689 -6.551 68 HD21 LEU 8 HD21 LEU 8 -1.080 12.024 -4.136 69 HD22 LEU 8 HD22 LEU 8 0.112 10.682 -4.289 70 HD23 LEU 8 HD23 LEU 8 -1.588 10.325 -3.806 71 H ALA 9 HN ALA 9 -1.995 8.754 -8.383 72 HA ALA 9 HA ALA 9 -1.018 10.212 -10.548 73 HB1 ALA 9 HB1 ALA 9 0.052 8.145 -9.674 74 HB2 ALA 9 HB2 ALA 9 -1.360 7.175 -10.217 75 HB3 ALA 9 HB3 ALA 9 -0.302 7.990 -11.436 76 H ALA 10 HN ALA 10 -3.856 7.942 -10.440 77 HA ALA 10 HA ALA 10 -4.630 8.424 -13.117 78 HB1 ALA 10 HB1 ALA 10 -5.423 6.491 -11.728 79 HB2 ALA 10 HB2 ALA 10 -6.292 7.630 -10.646 80 HB3 ALA 10 HB3 ALA 10 -6.816 7.444 -12.365 81 H LYS 11 HN LYS 11 -5.577 10.040 -10.072 82 HA LYS 11 HA LYS 11 -7.516 11.684 -11.149 83 HB2 LYS 11 HB1 LYS 11 -7.167 10.998 -8.769 84 HB3 LYS 11 HB2 LYS 11 -5.827 12.165 -8.630 85 HG2 LYS 11 HG1 LYS 11 -8.657 13.012 -9.482 86 HG3 LYS 11 HG2 LYS 11 -8.277 12.722 -7.767 87 HD2 LYS 11 HD1 LYS 11 -6.996 14.573 -7.466 88 HD3 LYS 11 HD2 LYS 11 -6.253 14.487 -9.070 89 HE2 LYS 11 HE1 LYS 11 -9.065 15.632 -8.465 90 HE3 LYS 11 HE2 LYS 11 -7.564 16.558 -8.878 91 HZ1 LYS 11 HZ1 LYS 11 -8.634 16.348 -10.908 92 HZ2 LYS 11 HZ2 LYS 11 -9.183 14.768 -10.585 93 HZ3 LYS 11 HZ3 LYS 11 -7.574 15.021 -10.941 94 H PHE 12 HN PHE 12 -4.033 12.460 -10.758 95 HA PHE 12 HA PHE 12 -4.257 14.301 -12.922 96 HB2 PHE 12 HB1 PHE 12 -3.422 16.405 -11.726 97 HB3 PHE 12 HB2 PHE 12 -5.129 15.949 -11.504 98 HD1 PHE 12 HD1 PHE 12 -5.114 17.616 -9.667 99 HD2 PHE 12 HD2 PHE 12 -2.659 14.075 -9.447 100 HE1 PHE 12 HE1 PHE 12 -4.897 17.894 -7.214 101 HE2 PHE 12 HE2 PHE 12 -2.451 14.377 -7.037 102 HZ PHE 12 HZ PHE 12 -3.575 16.265 -5.898 103 H GLY 13 HN GLY 13 -2.266 12.194 -11.276 104 HA2 GLY 13 HA1 GLY 13 0.165 13.569 -12.296 105 HA3 GLY 13 HA2 GLY 13 0.071 12.330 -11.023 106 HA PRO 14 HA PRO 14 -0.493 9.301 -14.094 107 HB2 PRO 14 HB1 PRO 14 -1.356 9.472 -16.747 108 HB3 PRO 14 HB2 PRO 14 -2.456 9.689 -15.334 109 HG2 PRO 14 HG1 PRO 14 -1.042 11.928 -16.900 110 HG3 PRO 14 HG2 PRO 14 -2.812 11.762 -16.533 111 HD2 PRO 14 HD1 PRO 14 -1.224 13.278 -14.875 112 HD3 PRO 14 HD2 PRO 14 -2.459 12.126 -14.188 113 H LYS 15 HN LYS 15 1.200 11.882 -15.822 114 HA LYS 15 HA LYS 15 2.573 10.215 -17.600 115 HB2 LYS 15 HB1 LYS 15 2.230 12.820 -17.546 116 HB3 LYS 15 HB2 LYS 15 3.815 12.851 -16.733 117 HG2 LYS 15 HG1 LYS 15 3.174 11.546 -19.479 118 HG3 LYS 15 HG2 LYS 15 3.783 13.215 -19.249 119 HD2 LYS 15 HD1 LYS 15 5.845 12.294 -18.122 120 HD3 LYS 15 HD2 LYS 15 5.345 10.638 -18.567 121 HE2 LYS 15 HE1 LYS 15 5.858 12.924 -20.594 122 HE3 LYS 15 HE2 LYS 15 7.078 11.677 -20.118 123 HZ1 LYS 15 HZ1 LYS 15 5.760 9.982 -21.037 124 HZ2 LYS 15 HZ2 LYS 15 5.813 11.206 -22.188 125 HZ3 LYS 15 HZ3 LYS 15 4.414 10.986 -21.250 126 H LEU 16 HN LEU 16 3.595 11.257 -14.293 127 HA LEU 16 HA LEU 16 6.145 10.051 -14.478 128 HB2 LEU 16 HB1 LEU 16 6.327 10.368 -12.074 129 HB3 LEU 16 HB2 LEU 16 5.692 11.813 -12.894 130 HG LEU 16 HG LEU 16 3.311 10.630 -12.173 131 HD11 LEU 16 HD11 LEU 16 4.464 8.754 -10.899 132 HD12 LEU 16 HD12 LEU 16 3.494 9.831 -9.828 133 HD13 LEU 16 HD13 LEU 16 5.283 9.992 -9.882 134 HD21 LEU 16 HD21 LEU 16 3.984 13.001 -11.784 135 HD22 LEU 16 HD22 LEU 16 5.043 12.478 -10.418 136 HD23 LEU 16 HD23 LEU 16 3.259 12.266 -10.306 137 H PHE 17 HN PHE 17 3.021 8.737 -13.253 138 HA PHE 17 HA PHE 17 4.042 6.213 -12.568 139 HB2 PHE 17 HB1 PHE 17 1.831 7.204 -11.834 140 HB3 PHE 17 HB2 PHE 17 1.211 7.034 -13.511 141 HD1 PHE 17 HD1 PHE 17 2.938 4.934 -10.856 142 HD2 PHE 17 HD2 PHE 17 -0.135 5.158 -13.848 143 HE1 PHE 17 HE1 PHE 17 2.181 2.664 -10.245 144 HE2 PHE 17 HE2 PHE 17 -0.903 2.887 -13.227 145 HZ PHE 17 HZ PHE 17 0.259 1.635 -11.424 146 H CYS 18 HN CYS 18 2.675 7.436 -15.613 147 HA CYS 18 HA CYS 18 2.798 5.094 -17.108 148 HB2 CYS 18 HB1 CYS 18 1.516 7.204 -17.596 149 HB3 CYS 18 HB2 CYS 18 3.047 8.009 -18.024 150 H LEU 19 HN LEU 19 5.401 7.633 -16.737 151 HA LEU 19 HA LEU 19 7.125 6.137 -18.466 152 HB2 LEU 19 HB1 LEU 19 8.814 7.722 -18.152 153 HB3 LEU 19 HB2 LEU 19 7.253 8.580 -18.268 154 HG LEU 19 HG LEU 19 7.408 8.474 -15.570 155 HD11 LEU 19 HD11 LEU 19 9.619 7.228 -15.504 156 HD12 LEU 19 HD12 LEU 19 9.750 8.876 -14.801 157 HD13 LEU 19 HD13 LEU 19 10.373 8.555 -16.459 158 HD21 LEU 19 HD21 LEU 19 8.923 10.481 -17.356 159 HD22 LEU 19 HD22 LEU 19 8.415 10.760 -15.650 160 HD23 LEU 19 HD23 LEU 19 7.163 10.530 -16.926 161 H VAL 20 HN VAL 20 6.910 6.289 -14.858 162 HA VAL 20 HA VAL 20 9.105 4.612 -14.410 163 HB VAL 20 HB VAL 20 6.608 5.198 -12.770 164 HG11 VAL 20 HG11 VAL 20 7.946 4.264 -10.814 165 HG12 VAL 20 HG12 VAL 20 7.473 2.983 -11.977 166 HG13 VAL 20 HG13 VAL 20 9.160 3.624 -11.975 167 HG21 VAL 20 HG21 VAL 20 9.566 6.113 -12.576 168 HG22 VAL 20 HG22 VAL 20 8.212 7.122 -13.206 169 HG23 VAL 20 HG23 VAL 20 8.230 6.614 -11.480 170 H THR 21 HN THR 21 5.663 3.771 -14.938 171 HA THR 21 HA THR 21 6.382 0.937 -14.846 172 HB THR 21 HB THR 21 4.094 0.359 -15.083 173 HG1 THR 21 HG1 THR 21 3.565 3.136 -15.077 174 HG21 THR 21 HG21 THR 21 4.985 0.964 -12.811 175 HG22 THR 21 HG22 THR 21 3.234 1.352 -12.974 176 HG23 THR 21 HG23 THR 21 4.455 2.666 -13.050 177 H LYS 22 HN LYS 22 7.582 2.524 -16.907 178 HA LYS 22 HA LYS 22 8.423 2.221 -18.859 179 HB2 LYS 22 HB1 LYS 22 8.689 -0.060 -18.182 180 HB3 LYS 22 HB2 LYS 22 6.996 -0.447 -18.590 181 HG2 LYS 22 HG1 LYS 22 8.467 -1.494 -20.209 182 HG3 LYS 22 HG2 LYS 22 7.430 -0.270 -20.985 183 HD2 LYS 22 HD1 LYS 22 9.459 1.354 -20.796 184 HD3 LYS 22 HD2 LYS 22 10.448 -0.088 -20.392 185 HE2 LYS 22 HE1 LYS 22 9.883 -1.124 -22.599 186 HE3 LYS 22 HE2 LYS 22 8.665 0.171 -22.926 187 HZ1 LYS 22 HZ1 LYS 22 11.599 0.607 -22.645 188 HZ2 LYS 22 HZ2 LYS 22 10.417 1.783 -22.970 189 HZ3 LYS 22 HZ3 LYS 22 10.721 0.558 -24.097 190 H LYS 23 HN LYS 23 4.964 2.299 -18.931 191 HA LYS 23 HA LYS 23 4.559 1.853 -21.630 192 HB2 LYS 23 HB1 LYS 23 2.675 3.800 -20.304 193 HB3 LYS 23 HB2 LYS 23 2.347 2.368 -21.321 194 HG2 LYS 23 HG1 LYS 23 3.163 0.967 -19.264 195 HG3 LYS 23 HG2 LYS 23 3.126 2.524 -18.353 196 HD2 LYS 23 HD1 LYS 23 0.643 2.718 -19.266 197 HD3 LYS 23 HD2 LYS 23 0.801 0.983 -19.638 198 HE2 LYS 23 HE1 LYS 23 0.766 2.406 -16.909 199 HE3 LYS 23 HE2 LYS 23 -0.237 1.017 -17.481 200 HZ1 LYS 23 HZ1 LYS 23 2.173 -0.075 -17.614 201 HZ2 LYS 23 HZ2 LYS 23 1.302 -0.014 -16.142 202 HZ3 LYS 23 HZ3 LYS 23 2.500 1.125 -16.476 203 H CYS 24 HN CYS 24 5.141 5.042 -20.106 204 HA CYS 24 HA CYS 24 5.928 6.009 -22.749 205 HB2 CYS 24 HB1 CYS 24 4.450 7.905 -22.918 206 HB3 CYS 24 HB2 CYS 24 3.482 6.423 -22.764 Start of MODEL 15 1 H1 PHE 1 HN PHE 1 3.460 0.476 -0.652 2 HA PHE 1 HA PHE 1 1.328 -1.216 -1.393 3 HB2 PHE 1 HB1 PHE 1 0.965 0.649 1.041 4 HB3 PHE 1 HB2 PHE 1 -0.439 0.020 0.094 5 HD1 PHE 1 HD1 PHE 1 -0.932 -2.396 0.024 6 HD2 PHE 1 HD2 PHE 1 2.178 -0.814 2.533 7 HE1 PHE 1 HE1 PHE 1 -0.933 -4.490 1.349 8 HE2 PHE 1 HE2 PHE 1 2.172 -2.905 3.857 9 HZ PHE 1 HZ PHE 1 0.618 -4.744 3.267 10 H LEU 2 HN LEU 2 -0.535 0.204 -2.309 11 HA LEU 2 HA LEU 2 0.432 2.807 -3.193 12 HB2 LEU 2 HB1 LEU 2 0.639 2.307 -5.498 13 HB3 LEU 2 HB2 LEU 2 1.589 1.089 -4.621 14 HG LEU 2 HG LEU 2 -1.223 0.624 -5.808 15 HD11 LEU 2 HD11 LEU 2 0.475 1.120 -7.553 16 HD12 LEU 2 HD12 LEU 2 -0.036 -0.611 -7.608 17 HD13 LEU 2 HD13 LEU 2 1.553 -0.162 -6.881 18 HD21 LEU 2 HD21 LEU 2 -0.636 -1.827 -5.592 19 HD22 LEU 2 HD22 LEU 2 -0.817 -1.020 -3.998 20 HD23 LEU 2 HD23 LEU 2 0.832 -1.370 -4.652 21 HA PRO 3 HA PRO 3 -4.120 2.111 -4.488 22 HB2 PRO 3 HB1 PRO 3 -5.872 2.502 -2.349 23 HB3 PRO 3 HB2 PRO 3 -5.181 0.891 -2.764 24 HG2 PRO 3 HG1 PRO 3 -4.136 2.866 -0.658 25 HG3 PRO 3 HG2 PRO 3 -4.481 1.104 -0.461 26 HD2 PRO 3 HD1 PRO 3 -1.926 2.036 -1.001 27 HD3 PRO 3 HD2 PRO 3 -2.545 0.483 -1.729 28 H ILE 4 HN ILE 4 -3.249 4.434 -1.867 29 HA ILE 4 HA ILE 4 -4.601 6.615 -3.022 30 HB ILE 4 HB ILE 4 -3.164 8.035 -1.589 31 HG12 ILE 4 HG11 ILE 4 -1.907 5.363 -0.670 32 HG13 ILE 4 HG12 ILE 4 -1.066 6.626 -1.634 33 HG21 ILE 4 HG21 ILE 4 -4.235 7.226 0.484 34 HG22 ILE 4 HG22 ILE 4 -5.355 6.988 -0.895 35 HG23 ILE 4 HG23 ILE 4 -4.454 5.583 -0.209 36 HD11 ILE 4 HD1 ILE 4 -2.152 6.968 1.235 37 HD12 ILE 4 HD2 ILE 4 -0.435 6.861 0.725 38 HD13 ILE 4 HD3 ILE 4 -1.426 8.282 0.241 39 H LEU 5 HN LEU 5 -1.330 5.352 -3.572 40 HA LEU 5 HA LEU 5 -0.390 7.455 -5.192 41 HB2 LEU 5 HB1 LEU 5 0.956 5.733 -3.984 42 HB3 LEU 5 HB2 LEU 5 0.428 4.491 -5.153 43 HG LEU 5 HG LEU 5 1.875 7.052 -6.045 44 HD11 LEU 5 HD11 LEU 5 3.183 4.441 -5.048 45 HD12 LEU 5 HD12 LEU 5 3.236 6.041 -4.223 46 HD13 LEU 5 HD13 LEU 5 4.041 5.827 -5.818 47 HD21 LEU 5 HD21 LEU 5 0.973 5.664 -7.923 48 HD22 LEU 5 HD22 LEU 5 1.754 4.192 -7.222 49 HD23 LEU 5 HD23 LEU 5 2.765 5.538 -7.865 50 H ALA 6 HN ALA 6 -2.035 4.356 -6.035 51 HA ALA 6 HA ALA 6 -2.113 4.780 -8.804 52 HB1 ALA 6 HB1 ALA 6 -4.052 3.255 -6.955 53 HB2 ALA 6 HB2 ALA 6 -3.924 3.036 -8.742 54 HB3 ALA 6 HB3 ALA 6 -2.546 2.584 -7.669 55 H SER 7 HN SER 7 -4.484 5.704 -6.265 56 HA SER 7 HA SER 7 -6.374 6.875 -7.980 57 HB2 SER 7 HB1 SER 7 -6.755 6.267 -5.572 58 HB3 SER 7 HB2 SER 7 -5.721 7.648 -5.077 59 HG SER 7 HG1 SER 7 -8.039 8.070 -5.127 60 H LEU 8 HN LEU 8 -3.621 8.534 -6.232 61 HA LEU 8 HA LEU 8 -4.228 10.999 -7.452 62 HB2 LEU 8 HB1 LEU 8 -2.284 11.944 -6.500 63 HB3 LEU 8 HB2 LEU 8 -3.033 10.819 -5.333 64 HG LEU 8 HG LEU 8 -1.233 9.101 -6.298 65 HD11 LEU 8 HD11 LEU 8 0.157 11.832 -6.750 66 HD12 LEU 8 HD12 LEU 8 -0.229 10.635 -8.045 67 HD13 LEU 8 HD13 LEU 8 0.961 10.222 -6.761 68 HD21 LEU 8 HD21 LEU 8 -0.566 11.372 -4.317 69 HD22 LEU 8 HD22 LEU 8 0.284 9.788 -4.432 70 HD23 LEU 8 HD23 LEU 8 -1.446 9.844 -3.937 71 H ALA 9 HN ALA 9 -2.071 8.358 -8.529 72 HA ALA 9 HA ALA 9 -0.948 9.662 -10.712 73 HB1 ALA 9 HB1 ALA 9 -0.134 7.486 -9.839 74 HB2 ALA 9 HB2 ALA 9 -1.677 6.702 -10.322 75 HB3 ALA 9 HB3 ALA 9 -0.556 7.335 -11.588 76 H ALA 10 HN ALA 10 -4.047 7.785 -10.558 77 HA ALA 10 HA ALA 10 -4.755 8.282 -13.249 78 HB1 ALA 10 HB1 ALA 10 -7.034 7.563 -12.471 79 HB2 ALA 10 HB2 ALA 10 -5.751 6.477 -11.818 80 HB3 ALA 10 HB3 ALA 10 -6.485 7.728 -10.758 81 H LYS 11 HN LYS 11 -5.587 10.051 -10.237 82 HA LYS 11 HA LYS 11 -7.341 11.887 -11.343 83 HB2 LYS 11 HB1 LYS 11 -7.091 11.386 -8.921 84 HB3 LYS 11 HB2 LYS 11 -5.428 12.025 -8.952 85 HG2 LYS 11 HG1 LYS 11 -6.382 14.329 -9.514 86 HG3 LYS 11 HG2 LYS 11 -8.025 13.652 -9.263 87 HD2 LYS 11 HD1 LYS 11 -7.493 13.085 -6.923 88 HD3 LYS 11 HD2 LYS 11 -5.771 13.484 -7.150 89 HE2 LYS 11 HE1 LYS 11 -8.110 15.515 -7.240 90 HE3 LYS 11 HE2 LYS 11 -6.948 15.280 -5.873 91 HZ1 LYS 11 HZ1 LYS 11 -5.148 15.860 -7.430 92 HZ2 LYS 11 HZ2 LYS 11 -6.273 17.115 -7.254 93 HZ3 LYS 11 HZ3 LYS 11 -6.278 16.139 -8.644 94 H PHE 12 HN PHE 12 -3.805 12.298 -10.885 95 HA PHE 12 HA PHE 12 -3.713 14.290 -12.915 96 HB2 PHE 12 HB1 PHE 12 -3.143 16.303 -11.734 97 HB3 PHE 12 HB2 PHE 12 -4.777 15.759 -11.281 98 HD1 PHE 12 HD1 PHE 12 -3.258 17.884 -9.867 99 HD2 PHE 12 HD2 PHE 12 -3.360 13.636 -9.133 100 HE1 PHE 12 HE1 PHE 12 -2.757 18.270 -7.475 101 HE2 PHE 12 HE2 PHE 12 -2.874 14.040 -6.773 102 HZ PHE 12 HZ PHE 12 -2.568 16.344 -5.924 103 H GLY 13 HN GLY 13 -2.124 11.939 -11.291 104 HA2 GLY 13 HA1 GLY 13 0.530 13.066 -11.873 105 HA3 GLY 13 HA2 GLY 13 0.130 11.603 -10.944 106 HA PRO 14 HA PRO 14 -0.211 9.174 -14.481 107 HB2 PRO 14 HB1 PRO 14 -1.163 9.712 -17.049 108 HB3 PRO 14 HB2 PRO 14 -2.243 9.610 -15.605 109 HG2 PRO 14 HG1 PRO 14 -1.031 12.171 -16.799 110 HG3 PRO 14 HG2 PRO 14 -2.775 11.817 -16.443 111 HD2 PRO 14 HD1 PRO 14 -1.228 13.156 -14.601 112 HD3 PRO 14 HD2 PRO 14 -2.401 11.862 -14.071 113 H LYS 15 HN LYS 15 1.307 12.138 -15.567 114 HA LYS 15 HA LYS 15 2.890 11.005 -17.606 115 HB2 LYS 15 HB1 LYS 15 2.329 13.505 -16.917 116 HB3 LYS 15 HB2 LYS 15 3.875 13.427 -16.036 117 HG2 LYS 15 HG1 LYS 15 3.458 12.771 -19.037 118 HG3 LYS 15 HG2 LYS 15 3.850 14.406 -18.416 119 HD2 LYS 15 HD1 LYS 15 6.047 13.605 -17.551 120 HD3 LYS 15 HD2 LYS 15 5.650 11.932 -18.023 121 HE2 LYS 15 HE1 LYS 15 7.213 12.879 -19.661 122 HE3 LYS 15 HE2 LYS 15 5.620 12.528 -20.437 123 HZ1 LYS 15 HZ1 LYS 15 6.500 14.669 -21.095 124 HZ2 LYS 15 HZ2 LYS 15 6.551 15.198 -19.486 125 HZ3 LYS 15 HZ3 LYS 15 5.061 14.862 -20.223 126 H LEU 16 HN LEU 16 3.668 11.445 -14.084 127 HA LEU 16 HA LEU 16 6.231 10.233 -14.345 128 HB2 LEU 16 HB1 LEU 16 6.229 10.043 -11.882 129 HB3 LEU 16 HB2 LEU 16 6.048 11.696 -12.503 130 HG LEU 16 HG LEU 16 3.511 10.185 -11.762 131 HD11 LEU 16 HD11 LEU 16 5.445 11.429 -9.713 132 HD12 LEU 16 HD12 LEU 16 5.058 9.677 -9.882 133 HD13 LEU 16 HD13 LEU 16 3.777 10.838 -9.380 134 HD21 LEU 16 HD21 LEU 16 4.459 13.111 -11.402 135 HD22 LEU 16 HD22 LEU 16 2.841 12.470 -10.959 136 HD23 LEU 16 HD23 LEU 16 3.332 12.531 -12.690 137 H PHE 17 HN PHE 17 3.001 8.966 -13.533 138 HA PHE 17 HA PHE 17 3.736 6.349 -12.929 139 HB2 PHE 17 HB1 PHE 17 1.495 7.440 -12.538 140 HB3 PHE 17 HB2 PHE 17 1.229 7.515 -14.309 141 HD1 PHE 17 HD1 PHE 17 2.392 4.716 -12.018 142 HD2 PHE 17 HD2 PHE 17 -0.612 6.165 -14.724 143 HE1 PHE 17 HE1 PHE 17 1.136 2.615 -11.749 144 HE2 PHE 17 HE2 PHE 17 -1.884 4.064 -14.440 145 HZ PHE 17 HZ PHE 17 -1.012 2.281 -12.941 146 H CYS 18 HN CYS 18 3.085 7.858 -16.103 147 HA CYS 18 HA CYS 18 3.063 5.601 -17.665 148 HB2 CYS 18 HB1 CYS 18 2.331 7.918 -18.294 149 HB3 CYS 18 HB2 CYS 18 4.040 8.416 -18.408 150 H LEU 19 HN LEU 19 6.061 7.653 -17.032 151 HA LEU 19 HA LEU 19 7.561 5.767 -18.585 152 HB2 LEU 19 HB1 LEU 19 9.526 6.906 -18.252 153 HB3 LEU 19 HB2 LEU 19 8.258 8.107 -18.603 154 HG LEU 19 HG LEU 19 9.289 7.505 -15.760 155 HD11 LEU 19 HD11 LEU 19 11.199 8.179 -17.190 156 HD12 LEU 19 HD12 LEU 19 10.773 9.478 -16.020 157 HD13 LEU 19 HD13 LEU 19 10.290 9.632 -17.752 158 HD21 LEU 19 HD21 LEU 19 8.439 9.799 -15.267 159 HD22 LEU 19 HD22 LEU 19 7.107 8.744 -15.860 160 HD23 LEU 19 HD23 LEU 19 7.847 9.964 -16.963 161 H VAL 20 HN VAL 20 7.177 6.204 -15.043 162 HA VAL 20 HA VAL 20 9.140 4.396 -14.277 163 HB VAL 20 HB VAL 20 6.571 5.294 -12.905 164 HG11 VAL 20 HG11 VAL 20 7.307 3.158 -11.813 165 HG12 VAL 20 HG12 VAL 20 9.008 3.751 -11.763 166 HG13 VAL 20 HG13 VAL 20 7.742 4.552 -10.769 167 HG21 VAL 20 HG21 VAL 20 8.249 7.115 -13.437 168 HG22 VAL 20 HG22 VAL 20 8.178 6.788 -11.672 169 HG23 VAL 20 HG23 VAL 20 9.544 6.139 -12.646 170 H THR 21 HN THR 21 5.760 3.746 -15.172 171 HA THR 21 HA THR 21 6.195 0.882 -14.574 172 HB THR 21 HB THR 21 3.836 0.516 -15.055 173 HG1 THR 21 HG1 THR 21 3.752 3.341 -15.312 174 HG21 THR 21 HG21 THR 21 4.644 1.151 -12.752 175 HG22 THR 21 HG22 THR 21 2.961 1.701 -13.070 176 HG23 THR 21 HG23 THR 21 4.325 2.883 -13.118 177 H LYS 22 HN LYS 22 7.244 2.583 -17.058 178 HA LYS 22 HA LYS 22 7.449 2.418 -19.229 179 HB2 LYS 22 HB1 LYS 22 8.932 0.701 -18.525 180 HB3 LYS 22 HB2 LYS 22 7.614 -0.497 -18.441 181 HG2 LYS 22 HG1 LYS 22 9.198 -0.806 -20.391 182 HG3 LYS 22 HG2 LYS 22 7.464 -0.733 -20.780 183 HD2 LYS 22 HD1 LYS 22 7.824 1.771 -21.393 184 HD3 LYS 22 HD2 LYS 22 9.587 1.419 -21.345 185 HE2 LYS 22 HE1 LYS 22 9.277 -0.297 -23.160 186 HE3 LYS 22 HE2 LYS 22 7.481 -0.126 -23.035 187 HZ1 LYS 22 HZ1 LYS 22 8.327 1.107 -24.893 188 HZ2 LYS 22 HZ2 LYS 22 9.370 2.011 -23.903 189 HZ3 LYS 22 HZ3 LYS 22 7.694 2.165 -23.744 190 H LYS 23 HN LYS 23 4.943 3.093 -18.769 191 HA LYS 23 HA LYS 23 3.211 1.447 -20.485 192 HB2 LYS 23 HB1 LYS 23 2.614 2.187 -18.149 193 HB3 LYS 23 HB2 LYS 23 2.613 3.889 -18.725 194 HG2 LYS 23 HG1 LYS 23 0.771 3.356 -20.315 195 HG3 LYS 23 HG2 LYS 23 0.789 1.644 -19.825 196 HD2 LYS 23 HD1 LYS 23 0.100 4.028 -17.953 197 HD3 LYS 23 HD2 LYS 23 -1.060 3.042 -18.874 198 HE2 LYS 23 HE1 LYS 23 -1.243 1.997 -16.824 199 HE3 LYS 23 HE2 LYS 23 -0.022 0.943 -17.633 200 HZ1 LYS 23 HZ1 LYS 23 0.633 1.465 -15.397 201 HZ2 LYS 23 HZ2 LYS 23 0.504 3.125 -15.653 202 HZ3 LYS 23 HZ3 LYS 23 1.711 2.240 -16.410 203 H CYS 24 HN CYS 24 5.350 4.034 -20.755 204 HA CYS 24 HA CYS 24 3.964 5.328 -22.973 205 HB2 CYS 24 HB1 CYS 24 6.837 5.673 -21.948 206 HB3 CYS 24 HB2 CYS 24 6.068 6.661 -23.235 Start of MODEL 16 1 H1 PHE 1 HN PHE 1 3.705 0.851 -0.596 2 HA PHE 1 HA PHE 1 1.641 -0.973 -1.175 3 HB2 PHE 1 HB1 PHE 1 1.202 1.061 1.108 4 HB3 PHE 1 HB2 PHE 1 -0.175 0.303 0.218 5 HD1 PHE 1 HD1 PHE 1 -0.575 -2.126 0.341 6 HD2 PHE 1 HD2 PHE 1 2.480 -0.235 2.699 7 HE1 PHE 1 HE1 PHE 1 -0.489 -4.109 1.824 8 HE2 PHE 1 HE2 PHE 1 2.561 -2.217 4.181 9 HZ PHE 1 HZ PHE 1 1.078 -4.154 3.744 10 H LEU 2 HN LEU 2 -0.291 0.309 -2.172 11 HA LEU 2 HA LEU 2 0.577 2.856 -3.281 12 HB2 LEU 2 HB1 LEU 2 0.615 2.111 -5.609 13 HB3 LEU 2 HB2 LEU 2 1.843 1.313 -4.611 14 HG LEU 2 HG LEU 2 0.908 -0.120 -6.324 15 HD11 LEU 2 HD11 LEU 2 1.841 -1.135 -4.232 16 HD12 LEU 2 HD12 LEU 2 0.646 -2.176 -5.089 17 HD13 LEU 2 HD13 LEU 2 0.158 -1.307 -3.595 18 HD21 LEU 2 HD21 LEU 2 -1.791 -0.191 -4.861 19 HD22 LEU 2 HD22 LEU 2 -1.312 -1.101 -6.333 20 HD23 LEU 2 HD23 LEU 2 -1.460 0.695 -6.400 21 HA PRO 3 HA PRO 3 -3.951 2.068 -4.497 22 HB2 PRO 3 HB1 PRO 3 -5.713 2.404 -2.357 23 HB3 PRO 3 HB2 PRO 3 -5.006 0.807 -2.800 24 HG2 PRO 3 HG1 PRO 3 -3.989 2.752 -0.654 25 HG3 PRO 3 HG2 PRO 3 -4.313 0.982 -0.492 26 HD2 PRO 3 HD1 PRO 3 -1.772 1.961 -1.003 27 HD3 PRO 3 HD2 PRO 3 -2.360 0.411 -1.766 28 H ILE 4 HN ILE 4 -3.050 4.340 -1.855 29 HA ILE 4 HA ILE 4 -4.414 6.551 -2.935 30 HB ILE 4 HB ILE 4 -2.921 7.932 -1.518 31 HG12 ILE 4 HG11 ILE 4 -1.669 5.230 -0.681 32 HG13 ILE 4 HG12 ILE 4 -0.841 6.502 -1.646 33 HG21 ILE 4 HG21 ILE 4 -3.943 7.099 0.570 34 HG22 ILE 4 HG22 ILE 4 -5.103 6.898 -0.781 35 HG23 ILE 4 HG23 ILE 4 -4.201 5.471 -0.145 36 HD11 ILE 4 HD1 ILE 4 -0.142 6.688 0.697 37 HD12 ILE 4 HD2 ILE 4 -1.130 8.128 0.266 38 HD13 ILE 4 HD3 ILE 4 -1.842 6.805 1.258 39 H LEU 5 HN LEU 5 -1.162 5.276 -3.599 40 HA LEU 5 HA LEU 5 -0.264 7.409 -5.204 41 HB2 LEU 5 HB1 LEU 5 1.109 5.651 -4.067 42 HB3 LEU 5 HB2 LEU 5 0.552 4.442 -5.256 43 HG LEU 5 HG LEU 5 1.981 7.025 -6.110 44 HD11 LEU 5 HD11 LEU 5 4.150 5.789 -5.970 45 HD12 LEU 5 HD12 LEU 5 3.305 4.384 -5.220 46 HD13 LEU 5 HD13 LEU 5 3.383 5.959 -4.350 47 HD21 LEU 5 HD21 LEU 5 2.824 5.562 -7.994 48 HD22 LEU 5 HD22 LEU 5 1.032 5.694 -8.004 49 HD23 LEU 5 HD23 LEU 5 1.824 4.201 -7.365 50 H ALA 6 HN ALA 6 -1.923 4.323 -6.065 51 HA ALA 6 HA ALA 6 -2.079 4.814 -8.824 52 HB1 ALA 6 HB1 ALA 6 -3.948 3.222 -6.958 53 HB2 ALA 6 HB2 ALA 6 -3.874 3.054 -8.755 54 HB3 ALA 6 HB3 ALA 6 -2.460 2.585 -7.740 55 H SER 7 HN SER 7 -4.377 5.648 -6.187 56 HA SER 7 HA SER 7 -6.326 6.842 -7.813 57 HB2 SER 7 HB1 SER 7 -6.616 6.180 -5.399 58 HB3 SER 7 HB2 SER 7 -5.604 7.583 -4.919 59 HG SER 7 HG1 SER 7 -7.902 7.989 -4.882 60 H LEU 8 HN LEU 8 -3.541 8.495 -6.104 61 HA LEU 8 HA LEU 8 -4.211 10.982 -7.232 62 HB2 LEU 8 HB1 LEU 8 -2.280 11.926 -6.287 63 HB3 LEU 8 HB2 LEU 8 -2.943 10.720 -5.154 64 HG LEU 8 HG LEU 8 -1.131 9.107 -6.263 65 HD11 LEU 8 HD11 LEU 8 -0.243 10.738 -7.982 66 HD12 LEU 8 HD12 LEU 8 1.009 10.319 -6.761 67 HD13 LEU 8 HD13 LEU 8 0.152 11.898 -6.656 68 HD21 LEU 8 HD21 LEU 8 -1.269 9.746 -3.866 69 HD22 LEU 8 HD22 LEU 8 -0.449 11.314 -4.217 70 HD23 LEU 8 HD23 LEU 8 0.442 9.762 -4.432 71 H ALA 9 HN ALA 9 -2.091 8.386 -8.466 72 HA ALA 9 HA ALA 9 -1.037 9.766 -10.639 73 HB1 ALA 9 HB1 ALA 9 -1.772 6.796 -10.349 74 HB2 ALA 9 HB2 ALA 9 -0.692 7.480 -11.623 75 HB3 ALA 9 HB3 ALA 9 -0.209 7.550 -9.886 76 H ALA 10 HN ALA 10 -4.136 7.878 -10.457 77 HA ALA 10 HA ALA 10 -4.957 8.555 -13.080 78 HB1 ALA 10 HB1 ALA 10 -6.583 7.843 -10.559 79 HB2 ALA 10 HB2 ALA 10 -7.207 7.797 -12.255 80 HB3 ALA 10 HB3 ALA 10 -5.905 6.665 -11.733 81 H LYS 11 HN LYS 11 -5.599 10.128 -9.928 82 HA LYS 11 HA LYS 11 -7.404 11.998 -10.861 83 HB2 LYS 11 HB1 LYS 11 -7.097 11.179 -8.538 84 HB3 LYS 11 HB2 LYS 11 -5.605 12.139 -8.377 85 HG2 LYS 11 HG1 LYS 11 -8.285 13.442 -9.118 86 HG3 LYS 11 HG2 LYS 11 -7.960 12.973 -7.429 87 HD2 LYS 11 HD1 LYS 11 -6.374 14.560 -7.016 88 HD3 LYS 11 HD2 LYS 11 -5.705 14.520 -8.655 89 HE2 LYS 11 HE1 LYS 11 -8.302 15.990 -7.828 90 HE3 LYS 11 HE2 LYS 11 -6.694 16.731 -8.213 91 HZ1 LYS 11 HZ1 LYS 11 -8.617 15.393 -10.007 92 HZ2 LYS 11 HZ2 LYS 11 -6.997 15.379 -10.401 93 HZ3 LYS 11 HZ3 LYS 11 -7.793 16.869 -10.218 94 H PHE 12 HN PHE 12 -3.862 12.392 -10.593 95 HA PHE 12 HA PHE 12 -3.935 14.300 -12.678 96 HB2 PHE 12 HB1 PHE 12 -2.892 16.307 -11.499 97 HB3 PHE 12 HB2 PHE 12 -4.626 16.015 -11.229 98 HD1 PHE 12 HD1 PHE 12 -4.269 17.741 -9.427 99 HD2 PHE 12 HD2 PHE 12 -2.426 13.845 -9.202 100 HE1 PHE 12 HE1 PHE 12 -3.968 18.002 -6.982 101 HE2 PHE 12 HE2 PHE 12 -2.139 14.128 -6.797 102 HZ PHE 12 HZ PHE 12 -2.916 16.187 -5.666 103 H GLY 13 HN GLY 13 -2.152 12.003 -11.049 104 HA2 GLY 13 HA1 GLY 13 0.421 13.164 -11.903 105 HA3 GLY 13 HA2 GLY 13 0.128 11.808 -10.792 106 HA PRO 14 HA PRO 14 -0.262 9.069 -14.145 107 HB2 PRO 14 HB1 PRO 14 -1.179 9.435 -16.748 108 HB3 PRO 14 HB2 PRO 14 -2.277 9.491 -15.317 109 HG2 PRO 14 HG1 PRO 14 -0.963 11.902 -16.701 110 HG3 PRO 14 HG2 PRO 14 -2.723 11.640 -16.342 111 HD2 PRO 14 HD1 PRO 14 -1.144 13.073 -14.590 112 HD3 PRO 14 HD2 PRO 14 -2.377 11.876 -13.981 113 H LYS 15 HN LYS 15 1.305 11.927 -15.386 114 HA LYS 15 HA LYS 15 2.830 10.718 -17.407 115 HB2 LYS 15 HB1 LYS 15 2.323 13.184 -16.979 116 HB3 LYS 15 HB2 LYS 15 3.679 13.210 -15.822 117 HG2 LYS 15 HG1 LYS 15 3.984 12.243 -18.740 118 HG3 LYS 15 HG2 LYS 15 3.954 13.990 -18.335 119 HD2 LYS 15 HD1 LYS 15 5.966 13.767 -16.902 120 HD3 LYS 15 HD2 LYS 15 5.970 11.999 -17.123 121 HE2 LYS 15 HE1 LYS 15 7.714 13.005 -18.541 122 HE3 LYS 15 HE2 LYS 15 6.441 12.220 -19.557 123 HZ1 LYS 15 HZ1 LYS 15 5.453 14.388 -19.903 124 HZ2 LYS 15 HZ2 LYS 15 7.072 14.387 -20.403 125 HZ3 LYS 15 HZ3 LYS 15 6.635 15.133 -18.944 126 H LEU 16 HN LEU 16 3.683 11.177 -13.919 127 HA LEU 16 HA LEU 16 6.230 9.928 -14.215 128 HB2 LEU 16 HB1 LEU 16 6.212 9.739 -11.733 129 HB3 LEU 16 HB2 LEU 16 6.083 11.395 -12.362 130 HG LEU 16 HG LEU 16 3.493 9.963 -11.648 131 HD11 LEU 16 HD11 LEU 16 3.748 10.601 -9.264 132 HD12 LEU 16 HD12 LEU 16 5.438 11.142 -9.571 133 HD13 LEU 16 HD13 LEU 16 5.000 9.402 -9.751 134 HD21 LEU 16 HD21 LEU 16 4.518 12.857 -11.260 135 HD22 LEU 16 HD22 LEU 16 2.874 12.255 -10.857 136 HD23 LEU 16 HD23 LEU 16 3.403 12.316 -12.576 137 H PHE 17 HN PHE 17 2.978 8.692 -13.310 138 HA PHE 17 HA PHE 17 3.798 6.098 -12.700 139 HB2 PHE 17 HB1 PHE 17 1.538 7.301 -12.268 140 HB3 PHE 17 HB2 PHE 17 1.101 6.930 -13.969 141 HD1 PHE 17 HD1 PHE 17 1.890 5.514 -10.613 142 HD2 PHE 17 HD2 PHE 17 0.524 4.645 -14.589 143 HE1 PHE 17 HE1 PHE 17 1.112 3.292 -9.856 144 HE2 PHE 17 HE2 PHE 17 -0.254 2.420 -13.836 145 HZ PHE 17 HZ PHE 17 0.034 1.741 -11.466 146 H CYS 18 HN CYS 18 2.808 7.511 -15.814 147 HA CYS 18 HA CYS 18 2.945 5.283 -17.442 148 HB2 CYS 18 HB1 CYS 18 1.917 7.489 -17.985 149 HB3 CYS 18 HB2 CYS 18 3.528 8.247 -18.017 150 H LEU 19 HN LEU 19 5.686 7.562 -16.625 151 HA LEU 19 HA LEU 19 7.449 6.005 -18.271 152 HB2 LEU 19 HB1 LEU 19 9.255 7.398 -17.643 153 HB3 LEU 19 HB2 LEU 19 7.807 8.359 -18.047 154 HG LEU 19 HG LEU 19 7.464 8.313 -15.367 155 HD11 LEU 19 HD11 LEU 19 9.542 6.933 -14.895 156 HD12 LEU 19 HD12 LEU 19 9.648 8.583 -14.190 157 HD13 LEU 19 HD13 LEU 19 10.539 8.194 -15.706 158 HD21 LEU 19 HD21 LEU 19 9.400 10.179 -16.872 159 HD22 LEU 19 HD22 LEU 19 8.582 10.537 -15.304 160 HD23 LEU 19 HD23 LEU 19 7.596 10.326 -16.803 161 H VAL 20 HN VAL 20 6.861 6.031 -14.710 162 HA VAL 20 HA VAL 20 8.873 4.203 -14.071 163 HB VAL 20 HB VAL 20 6.243 4.912 -12.712 164 HG11 VAL 20 HG11 VAL 20 6.881 2.646 -11.866 165 HG12 VAL 20 HG12 VAL 20 8.593 3.182 -11.664 166 HG13 VAL 20 HG13 VAL 20 7.295 3.881 -10.634 167 HG21 VAL 20 HG21 VAL 20 7.784 6.209 -11.212 168 HG22 VAL 20 HG22 VAL 20 9.204 5.656 -12.167 169 HG23 VAL 20 HG23 VAL 20 7.983 6.751 -12.915 170 H THR 21 HN THR 21 5.465 3.553 -15.001 171 HA THR 21 HA THR 21 5.970 0.679 -14.754 172 HB THR 21 HB THR 21 3.622 0.341 -15.316 173 HG1 THR 21 HG1 THR 21 3.383 3.153 -15.300 174 HG21 THR 21 HG21 THR 21 4.292 0.836 -12.935 175 HG22 THR 21 HG22 THR 21 2.638 1.433 -13.324 176 HG23 THR 21 HG23 THR 21 4.007 2.592 -13.221 177 H LYS 22 HN LYS 22 7.078 2.632 -16.916 178 HA LYS 22 HA LYS 22 7.380 2.858 -19.048 179 HB2 LYS 22 HB1 LYS 22 8.968 1.106 -18.355 180 HB3 LYS 22 HB2 LYS 22 7.817 -0.146 -18.898 181 HG2 LYS 22 HG1 LYS 22 9.581 0.123 -20.558 182 HG3 LYS 22 HG2 LYS 22 8.028 0.668 -21.262 183 HD2 LYS 22 HD1 LYS 22 8.728 3.089 -20.670 184 HD3 LYS 22 HD2 LYS 22 10.344 2.457 -20.261 185 HE2 LYS 22 HE1 LYS 22 8.885 2.290 -23.006 186 HE3 LYS 22 HE2 LYS 22 10.201 3.449 -22.581 187 HZ1 LYS 22 HZ1 LYS 22 11.681 1.567 -22.267 188 HZ2 LYS 22 HZ2 LYS 22 11.016 1.567 -23.828 189 HZ3 LYS 22 HZ3 LYS 22 10.436 0.482 -22.661 190 H LYS 23 HN LYS 23 4.971 3.403 -19.148 191 HA LYS 23 HA LYS 23 3.747 1.828 -21.348 192 HB2 LYS 23 HB1 LYS 23 2.553 4.014 -19.565 193 HB3 LYS 23 HB2 LYS 23 1.646 3.044 -20.760 194 HG2 LYS 23 HG1 LYS 23 3.033 1.822 -18.265 195 HG3 LYS 23 HG2 LYS 23 1.417 2.538 -18.237 196 HD2 LYS 23 HD1 LYS 23 1.110 0.195 -18.388 197 HD3 LYS 23 HD2 LYS 23 0.550 0.946 -19.903 198 HE2 LYS 23 HE1 LYS 23 1.705 -1.260 -20.239 199 HE3 LYS 23 HE2 LYS 23 2.515 0.073 -21.138 200 HZ1 LYS 23 HZ1 LYS 23 3.745 -1.666 -19.448 201 HZ2 LYS 23 HZ2 LYS 23 3.586 -0.286 -18.476 202 HZ3 LYS 23 HZ3 LYS 23 4.344 -0.170 -19.943 203 H CYS 24 HN CYS 24 5.542 4.671 -20.626 204 HA CYS 24 HA CYS 24 4.653 6.059 -23.031 205 HB2 CYS 24 HB1 CYS 24 6.946 6.686 -21.098 206 HB3 CYS 24 HB2 CYS 24 6.397 7.735 -22.448 Start of MODEL 17 1 H1 PHE 1 HN PHE 1 0.288 -0.045 1.153 2 HA PHE 1 HA PHE 1 0.719 2.313 0.692 3 HB2 PHE 1 HB1 PHE 1 2.658 0.433 -0.838 4 HB3 PHE 1 HB2 PHE 1 3.063 2.062 -0.168 5 HD1 PHE 1 HD1 PHE 1 2.726 2.371 2.406 6 HD2 PHE 1 HD2 PHE 1 2.980 -1.467 0.482 7 HE1 PHE 1 HE1 PHE 1 3.307 1.319 4.570 8 HE2 PHE 1 HE2 PHE 1 3.562 -2.512 2.651 9 HZ PHE 1 HZ PHE 1 3.719 -1.119 4.696 10 H LEU 2 HN LEU 2 0.632 0.199 -2.143 11 HA LEU 2 HA LEU 2 0.744 2.263 -4.019 12 HB2 LEU 2 HB1 LEU 2 0.450 0.702 -5.746 13 HB3 LEU 2 HB2 LEU 2 1.558 0.029 -4.522 14 HG LEU 2 HG LEU 2 -1.420 -0.733 -4.730 15 HD11 LEU 2 HD11 LEU 2 -0.647 -2.764 -5.943 16 HD12 LEU 2 HD12 LEU 2 1.042 -2.134 -5.936 17 HD13 LEU 2 HD13 LEU 2 -0.244 -1.261 -6.855 18 HD21 LEU 2 HD21 LEU 2 -0.445 -1.335 -2.506 19 HD22 LEU 2 HD22 LEU 2 0.971 -2.103 -3.324 20 HD23 LEU 2 HD23 LEU 2 -0.673 -2.809 -3.502 21 HA PRO 3 HA PRO 3 -3.773 1.776 -5.103 22 HB2 PRO 3 HB1 PRO 3 -5.774 1.835 -3.128 23 HB3 PRO 3 HB2 PRO 3 -5.020 0.321 -3.758 24 HG2 PRO 3 HG1 PRO 3 -4.225 1.879 -1.236 25 HG3 PRO 3 HG2 PRO 3 -4.557 0.109 -1.395 26 HD2 PRO 3 HD1 PRO 3 -2.005 1.093 -1.462 27 HD3 PRO 3 HD2 PRO 3 -2.485 -0.252 -2.596 28 H ILE 4 HN ILE 4 -3.205 3.806 -2.174 29 HA ILE 4 HA ILE 4 -4.663 6.017 -3.181 30 HB ILE 4 HB ILE 4 -3.412 7.366 -1.513 31 HG12 ILE 4 HG11 ILE 4 -2.094 4.674 -0.740 32 HG13 ILE 4 HG12 ILE 4 -1.245 6.055 -1.507 33 HG21 ILE 4 HG21 ILE 4 -5.593 6.163 -1.106 34 HG22 ILE 4 HG22 ILE 4 -4.678 4.734 -0.491 35 HG23 ILE 4 HG23 ILE 4 -4.598 6.305 0.378 36 HD11 ILE 4 HD1 ILE 4 -0.824 6.095 0.905 37 HD12 ILE 4 HD2 ILE 4 -1.841 7.515 0.467 38 HD13 ILE 4 HD3 ILE 4 -2.581 6.084 1.274 39 H LEU 5 HN LEU 5 -1.245 5.081 -3.500 40 HA LEU 5 HA LEU 5 -0.371 7.331 -4.921 41 HB2 LEU 5 HB1 LEU 5 0.961 5.561 -3.702 42 HB3 LEU 5 HB2 LEU 5 0.676 4.436 -5.053 43 HG LEU 5 HG LEU 5 2.026 7.184 -5.404 44 HD11 LEU 5 HD11 LEU 5 4.225 6.033 -5.147 45 HD12 LEU 5 HD12 LEU 5 3.378 4.496 -4.728 46 HD13 LEU 5 HD13 LEU 5 3.246 5.925 -3.640 47 HD21 LEU 5 HD21 LEU 5 2.175 4.574 -7.057 48 HD22 LEU 5 HD22 LEU 5 3.186 6.040 -7.341 49 HD23 LEU 5 HD23 LEU 5 1.407 6.127 -7.576 50 H ALA 6 HN ALA 6 -1.666 4.184 -6.092 51 HA ALA 6 HA ALA 6 -1.538 4.747 -8.825 52 HB1 ALA 6 HB1 ALA 6 -3.188 2.857 -9.019 53 HB2 ALA 6 HB2 ALA 6 -1.890 2.468 -7.825 54 HB3 ALA 6 HB3 ALA 6 -3.510 2.981 -7.246 55 H SER 7 HN SER 7 -4.184 5.387 -6.479 56 HA SER 7 HA SER 7 -6.022 6.435 -8.320 57 HB2 SER 7 HB1 SER 7 -6.524 5.743 -5.945 58 HB3 SER 7 HB2 SER 7 -5.690 7.223 -5.368 59 HG SER 7 HG1 SER 7 -7.982 7.475 -5.583 60 H LEU 8 HN LEU 8 -3.611 8.292 -6.281 61 HA LEU 8 HA LEU 8 -4.318 10.726 -7.519 62 HB2 LEU 8 HB1 LEU 8 -2.548 11.792 -6.333 63 HB3 LEU 8 HB2 LEU 8 -3.379 10.610 -5.293 64 HG LEU 8 HG LEU 8 -1.388 8.990 -6.016 65 HD11 LEU 8 HD11 LEU 8 -0.062 11.778 -6.226 66 HD12 LEU 8 HD12 LEU 8 -0.236 10.617 -7.596 67 HD13 LEU 8 HD13 LEU 8 0.792 10.196 -6.180 68 HD21 LEU 8 HD21 LEU 8 -1.108 11.252 -3.941 69 HD22 LEU 8 HD22 LEU 8 -0.174 9.712 -3.956 70 HD23 LEU 8 HD23 LEU 8 -1.957 9.678 -3.705 71 H ALA 9 HN ALA 9 -1.803 8.343 -8.368 72 HA ALA 9 HA ALA 9 -0.606 9.791 -10.415 73 HB1 ALA 9 HB1 ALA 9 0.331 7.722 -9.384 74 HB2 ALA 9 HB2 ALA 9 -0.990 6.756 -10.125 75 HB3 ALA 9 HB3 ALA 9 0.241 7.568 -11.174 76 H ALA 10 HN ALA 10 -3.514 7.640 -10.575 77 HA ALA 10 HA ALA 10 -3.993 8.122 -13.334 78 HB1 ALA 10 HB1 ALA 10 -6.277 7.230 -12.793 79 HB2 ALA 10 HB2 ALA 10 -4.992 6.217 -12.031 80 HB3 ALA 10 HB3 ALA 10 -5.908 7.392 -11.034 81 H LYS 11 HN LYS 11 -5.179 9.765 -10.370 82 HA LYS 11 HA LYS 11 -6.974 11.428 -11.633 83 HB2 LYS 11 HB1 LYS 11 -6.849 10.745 -9.218 84 HB3 LYS 11 HB2 LYS 11 -5.553 11.940 -8.958 85 HG2 LYS 11 HG1 LYS 11 -8.329 12.673 -10.090 86 HG3 LYS 11 HG2 LYS 11 -8.068 12.468 -8.342 87 HD2 LYS 11 HD1 LYS 11 -6.923 14.393 -8.025 88 HD3 LYS 11 HD2 LYS 11 -6.020 14.268 -9.542 89 HE2 LYS 11 HE1 LYS 11 -8.928 15.302 -9.276 90 HE3 LYS 11 HE2 LYS 11 -7.435 16.284 -9.575 91 HZ1 LYS 11 HZ1 LYS 11 -8.293 15.943 -11.688 92 HZ2 LYS 11 HZ2 LYS 11 -8.777 14.344 -11.361 93 HZ3 LYS 11 HZ3 LYS 11 -7.155 14.689 -11.562 94 H PHE 12 HN PHE 12 -3.536 12.197 -10.868 95 HA PHE 12 HA PHE 12 -3.665 14.187 -12.988 96 HB2 PHE 12 HB1 PHE 12 -2.648 16.046 -11.505 97 HB3 PHE 12 HB2 PHE 12 -4.392 15.695 -11.349 98 HD1 PHE 12 HD1 PHE 12 -4.685 16.708 -9.224 99 HD2 PHE 12 HD2 PHE 12 -1.654 13.673 -9.677 100 HE1 PHE 12 HE1 PHE 12 -4.433 16.565 -6.765 101 HE2 PHE 12 HE2 PHE 12 -1.408 13.565 -7.254 102 HZ PHE 12 HZ PHE 12 -2.801 14.986 -5.778 103 H GLY 13 HN GLY 13 -1.963 11.665 -11.931 104 HA2 GLY 13 HA1 GLY 13 0.665 12.925 -12.419 105 HA3 GLY 13 HA2 GLY 13 0.331 11.391 -11.587 106 HA PRO 14 HA PRO 14 -0.289 9.268 -15.351 107 HB2 PRO 14 HB1 PRO 14 -0.902 10.221 -17.922 108 HB3 PRO 14 HB2 PRO 14 -2.121 10.021 -16.606 109 HG2 PRO 14 HG1 PRO 14 -0.598 12.595 -17.315 110 HG3 PRO 14 HG2 PRO 14 -2.389 12.367 -17.140 111 HD2 PRO 14 HD1 PRO 14 -0.897 13.301 -15.028 112 HD3 PRO 14 HD2 PRO 14 -2.200 12.057 -14.750 113 H LYS 15 HN LYS 15 1.652 12.109 -16.335 114 HA LYS 15 HA LYS 15 3.361 10.624 -18.067 115 HB2 LYS 15 HB1 LYS 15 3.813 13.237 -16.540 116 HB3 LYS 15 HB2 LYS 15 4.966 12.588 -17.742 117 HG2 LYS 15 HG1 LYS 15 2.041 13.313 -18.414 118 HG3 LYS 15 HG2 LYS 15 3.431 14.428 -18.551 119 HD2 LYS 15 HD1 LYS 15 4.565 12.828 -20.128 120 HD3 LYS 15 HD2 LYS 15 3.098 11.788 -20.103 121 HE2 LYS 15 HE1 LYS 15 1.731 13.671 -21.068 122 HE3 LYS 15 HE2 LYS 15 3.177 14.753 -21.026 123 HZ1 LYS 15 HZ1 LYS 15 2.922 12.247 -22.630 124 HZ2 LYS 15 HZ2 LYS 15 4.275 13.267 -22.582 125 HZ3 LYS 15 HZ3 LYS 15 2.813 13.830 -23.211 126 H LEU 16 HN LEU 16 3.747 11.437 -14.530 127 HA LEU 16 HA LEU 16 6.176 9.964 -14.374 128 HB2 LEU 16 HB1 LEU 16 5.987 10.100 -11.936 129 HB3 LEU 16 HB2 LEU 16 6.009 11.671 -12.762 130 HG LEU 16 HG LEU 16 3.315 10.466 -11.985 131 HD11 LEU 16 HD11 LEU 16 3.515 11.490 -9.727 132 HD12 LEU 16 HD12 LEU 16 5.233 11.912 -10.058 133 HD13 LEU 16 HD13 LEU 16 4.731 10.184 -9.962 134 HD21 LEU 16 HD21 LEU 16 2.806 12.919 -11.569 135 HD22 LEU 16 HD22 LEU 16 3.310 12.632 -13.275 136 HD23 LEU 16 HD23 LEU 16 4.471 13.341 -12.086 137 H PHE 17 HN PHE 17 2.763 9.124 -13.838 138 HA PHE 17 HA PHE 17 3.126 6.558 -12.862 139 HB2 PHE 17 HB1 PHE 17 0.982 7.986 -13.140 140 HB3 PHE 17 HB2 PHE 17 0.969 7.524 -14.863 141 HD1 PHE 17 HD1 PHE 17 1.991 4.685 -12.832 142 HD2 PHE 17 HD2 PHE 17 -1.451 7.033 -13.935 143 HE1 PHE 17 HE1 PHE 17 0.521 2.872 -12.125 144 HE2 PHE 17 HE2 PHE 17 -2.927 5.198 -13.185 145 HZ PHE 17 HZ PHE 17 -1.941 3.110 -12.278 146 H CYS 18 HN CYS 18 2.971 7.649 -16.316 147 HA CYS 18 HA CYS 18 3.449 5.135 -17.478 148 HB2 CYS 18 HB1 CYS 18 3.936 8.023 -18.351 149 HB3 CYS 18 HB2 CYS 18 4.494 6.672 -19.370 150 H LEU 19 HN LEU 19 5.929 7.692 -16.613 151 HA LEU 19 HA LEU 19 7.949 6.143 -17.762 152 HB2 LEU 19 HB1 LEU 19 9.549 7.709 -17.072 153 HB3 LEU 19 HB2 LEU 19 8.053 8.570 -17.506 154 HG LEU 19 HG LEU 19 7.612 8.451 -14.849 155 HD11 LEU 19 HD11 LEU 19 10.700 8.471 -15.047 156 HD12 LEU 19 HD12 LEU 19 9.722 7.171 -14.272 157 HD13 LEU 19 HD13 LEU 19 9.731 8.828 -13.573 158 HD21 LEU 19 HD21 LEU 19 8.634 10.732 -14.702 159 HD22 LEU 19 HD22 LEU 19 7.743 10.510 -16.256 160 HD23 LEU 19 HD23 LEU 19 9.546 10.427 -16.225 161 H VAL 20 HN VAL 20 6.916 6.208 -14.305 162 HA VAL 20 HA VAL 20 8.954 4.442 -13.453 163 HB VAL 20 HB VAL 20 6.159 4.941 -12.338 164 HG11 VAL 20 HG11 VAL 20 7.164 4.022 -10.193 165 HG12 VAL 20 HG12 VAL 20 7.039 2.752 -11.453 166 HG13 VAL 20 HG13 VAL 20 8.631 3.526 -11.102 167 HG21 VAL 20 HG21 VAL 20 7.433 6.398 -10.727 168 HG22 VAL 20 HG22 VAL 20 8.956 6.066 -11.621 169 HG23 VAL 20 HG23 VAL 20 7.624 6.990 -12.411 170 H THR 21 HN THR 21 5.564 3.732 -14.461 171 HA THR 21 HA THR 21 5.844 0.938 -14.132 172 HB THR 21 HB THR 21 3.761 0.667 -15.453 173 HG1 THR 21 HG1 THR 21 3.750 3.492 -15.488 174 HG21 THR 21 HG21 THR 21 3.712 2.887 -13.292 175 HG22 THR 21 HG22 THR 21 3.722 1.113 -12.992 176 HG23 THR 21 HG23 THR 21 2.318 1.870 -13.823 177 H LYS 22 HN LYS 22 6.324 2.924 -16.991 178 HA LYS 22 HA LYS 22 7.479 2.554 -18.834 179 HB2 LYS 22 HB1 LYS 22 8.253 0.068 -17.711 180 HB3 LYS 22 HB2 LYS 22 7.381 -0.378 -19.176 181 HG2 LYS 22 HG1 LYS 22 9.365 -0.112 -20.177 182 HG3 LYS 22 HG2 LYS 22 8.982 1.619 -20.226 183 HD2 LYS 22 HD1 LYS 22 10.692 0.115 -18.100 184 HD3 LYS 22 HD2 LYS 22 11.298 1.086 -19.464 185 HE2 LYS 22 HE1 LYS 22 11.576 2.502 -17.560 186 HE3 LYS 22 HE2 LYS 22 10.143 3.150 -18.448 187 HZ1 LYS 22 HZ1 LYS 22 9.533 3.094 -16.244 188 HZ2 LYS 22 HZ2 LYS 22 10.187 1.570 -15.910 189 HZ3 LYS 22 HZ3 LYS 22 8.804 1.718 -16.868 190 H LYS 23 HN LYS 23 4.458 2.457 -18.186 191 HA LYS 23 HA LYS 23 3.240 1.212 -20.398 192 HB2 LYS 23 HB1 LYS 23 2.416 3.620 -18.700 193 HB3 LYS 23 HB2 LYS 23 1.389 2.980 -20.026 194 HG2 LYS 23 HG1 LYS 23 1.266 0.767 -18.988 195 HG3 LYS 23 HG2 LYS 23 2.255 1.297 -17.601 196 HD2 LYS 23 HD1 LYS 23 -0.438 2.556 -18.446 197 HD3 LYS 23 HD2 LYS 23 -0.272 1.243 -17.233 198 HE2 LYS 23 HE1 LYS 23 1.096 2.714 -15.750 199 HE3 LYS 23 HE2 LYS 23 0.988 4.068 -16.944 200 HZ1 LYS 23 HZ1 LYS 23 -0.635 4.190 -15.116 201 HZ2 LYS 23 HZ2 LYS 23 -1.341 2.748 -15.640 202 HZ3 LYS 23 HZ3 LYS 23 -1.373 4.113 -16.644 203 H CYS 24 HN CYS 24 4.844 4.406 -20.236 204 HA CYS 24 HA CYS 24 4.943 4.454 -23.056 205 HB2 CYS 24 HB2 CYS 24 3.735 6.625 -23.467 206 HB3 CYS 24 HB1 CYS 24 2.665 5.272 -23.036 Start of MODEL 18 1 H1 PHE 1 HN PHE 1 1.702 -2.083 -0.904 2 HA PHE 1 HA PHE 1 0.902 -1.914 -3.275 3 HB2 PHE 1 HB1 PHE 1 -1.161 -1.323 -1.034 4 HB3 PHE 1 HB2 PHE 1 -1.570 -1.971 -2.671 5 HD1 PHE 1 HD1 PHE 1 -0.446 -4.176 -3.386 6 HD2 PHE 1 HD2 PHE 1 -0.592 -2.823 0.691 7 HE1 PHE 1 HE1 PHE 1 -0.035 -6.491 -2.599 8 HE2 PHE 1 HE2 PHE 1 -0.180 -5.134 1.473 9 HZ PHE 1 HZ PHE 1 0.100 -6.969 -0.168 10 H LEU 2 HN LEU 2 0.717 0.809 -1.198 11 HA LEU 2 HA LEU 2 0.175 2.967 -1.410 12 HB2 LEU 2 HB1 LEU 2 1.581 2.598 -4.077 13 HB3 LEU 2 HB2 LEU 2 1.415 4.149 -3.187 14 HG LEU 2 HG LEU 2 2.926 1.668 -2.170 15 HD11 LEU 2 HD11 LEU 2 4.019 2.734 -4.148 16 HD12 LEU 2 HD12 LEU 2 4.979 2.960 -2.638 17 HD13 LEU 2 HD13 LEU 2 4.004 4.326 -3.291 18 HD21 LEU 2 HD21 LEU 2 2.755 4.536 -1.026 19 HD22 LEU 2 HD22 LEU 2 3.857 3.238 -0.446 20 HD23 LEU 2 HD23 LEU 2 2.082 3.044 -0.259 21 HA PRO 3 HA PRO 3 -3.365 2.456 -4.428 22 HB2 PRO 3 HB1 PRO 3 -5.582 2.658 -2.718 23 HB3 PRO 3 HB2 PRO 3 -4.675 1.121 -2.978 24 HG2 PRO 3 HG1 PRO 3 -4.265 3.147 -0.706 25 HG3 PRO 3 HG2 PRO 3 -4.511 1.359 -0.573 26 HD2 PRO 3 HD1 PRO 3 -1.977 2.442 -0.552 27 HD3 PRO 3 HD2 PRO 3 -2.315 0.901 -1.461 28 H ILE 4 HN ILE 4 -2.987 4.835 -1.814 29 HA ILE 4 HA ILE 4 -4.452 6.901 -3.024 30 HB ILE 4 HB ILE 4 -3.147 8.430 -1.571 31 HG12 ILE 4 HG11 ILE 4 -1.731 5.854 -0.608 32 HG13 ILE 4 HG12 ILE 4 -0.958 7.163 -1.566 33 HG21 ILE 4 HG21 ILE 4 -4.296 5.902 -0.203 34 HG22 ILE 4 HG22 ILE 4 -4.203 7.560 0.485 35 HG23 ILE 4 HG23 ILE 4 -5.274 7.240 -0.916 36 HD11 ILE 4 HD1 ILE 4 -0.390 7.456 0.804 37 HD12 ILE 4 HD2 ILE 4 -1.463 8.805 0.288 38 HD13 ILE 4 HD3 ILE 4 -2.121 7.453 1.279 39 H LEU 5 HN LEU 5 -1.074 5.870 -3.548 40 HA LEU 5 HA LEU 5 -0.364 8.092 -5.168 41 HB2 LEU 5 HB1 LEU 5 1.121 6.416 -3.871 42 HB3 LEU 5 HB2 LEU 5 0.936 5.321 -5.266 43 HG LEU 5 HG LEU 5 2.035 8.209 -5.376 44 HD11 LEU 5 HD11 LEU 5 3.442 6.752 -3.917 45 HD12 LEU 5 HD12 LEU 5 4.302 7.188 -5.438 46 HD13 LEU 5 HD13 LEU 5 3.582 5.546 -5.251 47 HD21 LEU 5 HD21 LEU 5 2.170 5.922 -7.448 48 HD22 LEU 5 HD22 LEU 5 3.130 7.447 -7.535 49 HD23 LEU 5 HD23 LEU 5 1.340 7.519 -7.642 50 H ALA 6 HN ALA 6 -1.604 4.787 -5.873 51 HA ALA 6 HA ALA 6 -1.695 5.058 -8.664 52 HB1 ALA 6 HB1 ALA 6 -3.517 3.438 -6.776 53 HB2 ALA 6 HB2 ALA 6 -3.316 3.148 -8.545 54 HB3 ALA 6 HB3 ALA 6 -1.932 2.888 -7.421 55 H SER 7 HN SER 7 -4.201 5.852 -6.214 56 HA SER 7 HA SER 7 -6.149 6.792 -7.996 57 HB2 SER 7 HB1 SER 7 -6.516 6.236 -5.575 58 HB3 SER 7 HB2 SER 7 -5.620 7.722 -5.115 59 HG SER 7 HG1 SER 7 -7.965 7.928 -5.212 60 H LEU 8 HN LEU 8 -3.583 8.767 -6.277 61 HA LEU 8 HA LEU 8 -4.428 11.117 -7.578 62 HB2 LEU 8 HB1 LEU 8 -2.639 12.295 -6.620 63 HB3 LEU 8 HB2 LEU 8 -3.214 11.084 -5.441 64 HG LEU 8 HG LEU 8 -1.207 9.621 -6.421 65 HD11 LEU 8 HD11 LEU 8 -0.205 12.510 -6.906 66 HD12 LEU 8 HD12 LEU 8 -0.443 11.265 -8.190 67 HD13 LEU 8 HD13 LEU 8 0.808 11.023 -6.920 68 HD21 LEU 8 HD21 LEU 8 -0.828 11.978 -4.463 69 HD22 LEU 8 HD22 LEU 8 0.225 10.520 -4.579 70 HD23 LEU 8 HD23 LEU 8 -1.491 10.349 -4.060 71 H ALA 9 HN ALA 9 -2.002 8.682 -8.559 72 HA ALA 9 HA ALA 9 -1.047 10.043 -10.800 73 HB1 ALA 9 HB1 ALA 9 0.038 8.020 -9.840 74 HB2 ALA 9 HB2 ALA 9 -1.383 7.028 -10.311 75 HB3 ALA 9 HB3 ALA 9 -0.342 7.776 -11.588 76 H ALA 10 HN ALA 10 -3.887 7.791 -10.538 77 HA ALA 10 HA ALA 10 -4.660 8.056 -13.233 78 HB1 ALA 10 HB1 ALA 10 -5.445 6.244 -11.683 79 HB2 ALA 10 HB2 ALA 10 -6.319 7.468 -10.702 80 HB3 ALA 10 HB3 ALA 10 -6.842 7.132 -12.398 81 H LYS 11 HN LYS 11 -5.661 9.914 -10.339 82 HA LYS 11 HA LYS 11 -7.600 11.500 -11.512 83 HB2 LYS 11 HB1 LYS 11 -7.246 11.197 -9.072 84 HB3 LYS 11 HB2 LYS 11 -5.645 11.970 -9.199 85 HG2 LYS 11 HG1 LYS 11 -6.813 14.140 -9.885 86 HG3 LYS 11 HG2 LYS 11 -8.381 13.348 -9.521 87 HD2 LYS 11 HD1 LYS 11 -7.727 13.002 -7.173 88 HD3 LYS 11 HD2 LYS 11 -6.048 13.505 -7.495 89 HE2 LYS 11 HE1 LYS 11 -8.529 15.355 -7.633 90 HE3 LYS 11 HE2 LYS 11 -7.307 15.300 -6.299 91 HZ1 LYS 11 HZ1 LYS 11 -6.811 17.073 -7.832 92 HZ2 LYS 11 HZ2 LYS 11 -6.792 15.997 -9.147 93 HZ3 LYS 11 HZ3 LYS 11 -5.607 15.888 -7.961 94 H PHE 12 HN PHE 12 -4.101 12.263 -11.202 95 HA PHE 12 HA PHE 12 -4.258 14.098 -13.372 96 HB2 PHE 12 HB1 PHE 12 -3.878 16.242 -12.362 97 HB3 PHE 12 HB2 PHE 12 -5.422 15.570 -11.784 98 HD1 PHE 12 HD1 PHE 12 -4.018 17.937 -10.614 99 HD2 PHE 12 HD2 PHE 12 -3.732 13.766 -9.568 100 HE1 PHE 12 HE1 PHE 12 -3.430 18.545 -8.288 101 HE2 PHE 12 HE2 PHE 12 -3.148 14.383 -7.279 102 HZ PHE 12 HZ PHE 12 -2.996 16.766 -6.615 103 H GLY 13 HN GLY 13 -2.369 12.063 -11.617 104 HA2 GLY 13 HA1 GLY 13 0.120 13.492 -12.317 105 HA3 GLY 13 HA2 GLY 13 -0.081 12.122 -11.203 106 HA PRO 14 HA PRO 14 -0.454 9.136 -14.204 107 HB2 PRO 14 HB1 PRO 14 -1.140 9.233 -16.936 108 HB3 PRO 14 HB2 PRO 14 -2.335 9.355 -15.588 109 HG2 PRO 14 HG1 PRO 14 -0.992 11.704 -17.051 110 HG3 PRO 14 HG2 PRO 14 -2.766 11.409 -16.799 111 HD2 PRO 14 HD1 PRO 14 -1.408 13.024 -15.053 112 HD3 PRO 14 HD2 PRO 14 -2.574 11.774 -14.417 113 H LYS 15 HN LYS 15 1.371 11.685 -15.750 114 HA LYS 15 HA LYS 15 3.007 10.021 -17.311 115 HB2 LYS 15 HB1 LYS 15 3.227 12.868 -16.391 116 HB3 LYS 15 HB2 LYS 15 4.691 12.091 -17.061 117 HG2 LYS 15 HG1 LYS 15 2.007 12.075 -18.551 118 HG3 LYS 15 HG2 LYS 15 3.239 13.361 -18.744 119 HD2 LYS 15 HD1 LYS 15 4.923 11.755 -19.520 120 HD3 LYS 15 HD2 LYS 15 3.820 10.368 -19.241 121 HE2 LYS 15 HE1 LYS 15 2.265 11.166 -21.016 122 HE3 LYS 15 HE2 LYS 15 3.297 12.625 -21.289 123 HZ1 LYS 15 HZ1 LYS 15 3.719 10.822 -22.888 124 HZ2 LYS 15 HZ2 LYS 15 4.229 9.801 -21.645 125 HZ3 LYS 15 HZ3 LYS 15 5.092 11.207 -21.979 126 H LEU 16 HN LEU 16 3.446 10.834 -13.800 127 HA LEU 16 HA LEU 16 6.049 9.701 -13.821 128 HB2 LEU 16 HB1 LEU 16 6.295 10.072 -11.664 129 HB3 LEU 16 HB2 LEU 16 5.032 11.276 -12.002 130 HG LEU 16 HG LEU 16 4.570 8.492 -10.731 131 HD11 LEU 16 HD11 LEU 16 4.861 11.243 -9.385 132 HD12 LEU 16 HD12 LEU 16 6.058 9.896 -9.327 133 HD13 LEU 16 HD13 LEU 16 4.438 9.695 -8.567 134 HD21 LEU 16 HD21 LEU 16 2.412 9.464 -9.912 135 HD22 LEU 16 HD22 LEU 16 2.446 9.432 -11.711 136 HD23 LEU 16 HD23 LEU 16 2.736 10.977 -10.827 137 H PHE 17 HN PHE 17 2.862 8.274 -13.185 138 HA PHE 17 HA PHE 17 3.735 5.662 -12.607 139 HB2 PHE 17 HB1 PHE 17 1.446 6.537 -12.122 140 HB3 PHE 17 HB2 PHE 17 1.142 6.771 -13.875 141 HD1 PHE 17 HD1 PHE 17 2.524 3.843 -11.881 142 HD2 PHE 17 HD2 PHE 17 -0.614 5.338 -14.403 143 HE1 PHE 17 HE1 PHE 17 1.420 1.644 -11.808 144 HE2 PHE 17 HE2 PHE 17 -1.737 3.138 -14.312 145 HZ PHE 17 HZ PHE 17 -0.725 1.283 -13.000 146 H CYS 18 HN CYS 18 2.842 7.213 -15.702 147 HA CYS 18 HA CYS 18 3.268 5.039 -17.388 148 HB2 CYS 18 HB1 CYS 18 3.332 8.058 -17.681 149 HB3 CYS 18 HB2 CYS 18 3.839 7.069 -19.066 150 H LEU 19 HN LEU 19 5.779 7.494 -16.359 151 HA LEU 19 HA LEU 19 7.692 6.170 -18.035 152 HB2 LEU 19 HB1 LEU 19 9.344 7.697 -17.292 153 HB3 LEU 19 HB2 LEU 19 7.821 8.554 -17.641 154 HG LEU 19 HG LEU 19 7.483 8.258 -14.962 155 HD11 LEU 19 HD11 LEU 19 9.639 8.673 -13.777 156 HD12 LEU 19 HD12 LEU 19 10.547 8.509 -15.321 157 HD13 LEU 19 HD13 LEU 19 9.714 7.081 -14.612 158 HD21 LEU 19 HD21 LEU 19 8.363 10.581 -14.735 159 HD22 LEU 19 HD22 LEU 19 7.394 10.389 -16.243 160 HD23 LEU 19 HD23 LEU 19 9.199 10.429 -16.323 161 H VAL 20 HN VAL 20 7.083 6.026 -14.470 162 HA VAL 20 HA VAL 20 9.224 4.328 -13.907 163 HB VAL 20 HB VAL 20 6.557 4.766 -12.501 164 HG11 VAL 20 HG11 VAL 20 7.429 2.539 -11.743 165 HG12 VAL 20 HG12 VAL 20 9.078 3.239 -11.536 166 HG13 VAL 20 HG13 VAL 20 7.730 3.769 -10.471 167 HG21 VAL 20 HG21 VAL 20 8.000 6.146 -10.971 168 HG22 VAL 20 HG22 VAL 20 9.442 5.775 -11.980 169 HG23 VAL 20 HG23 VAL 20 8.097 6.769 -12.654 170 H THR 21 HN THR 21 5.911 3.514 -14.923 171 HA THR 21 HA THR 21 6.636 0.653 -14.810 172 HB THR 21 HB THR 21 4.336 0.082 -15.202 173 HG1 THR 21 HG1 THR 21 3.929 2.885 -15.150 174 HG21 THR 21 HG21 THR 21 3.422 0.918 -13.058 175 HG22 THR 21 HG22 THR 21 4.630 2.256 -13.015 176 HG23 THR 21 HG23 THR 21 5.173 0.548 -12.869 177 H LYS 22 HN LYS 22 7.633 2.637 -16.930 178 HA LYS 22 HA LYS 22 8.290 2.542 -19.001 179 HB2 LYS 22 HB1 LYS 22 9.089 0.352 -18.441 180 HB3 LYS 22 HB2 LYS 22 7.475 -0.367 -18.663 181 HG2 LYS 22 HG1 LYS 22 8.883 -1.086 -20.466 182 HG3 LYS 22 HG2 LYS 22 7.567 -0.060 -21.092 183 HD2 LYS 22 HD1 LYS 22 9.230 1.890 -21.166 184 HD3 LYS 22 HD2 LYS 22 10.530 0.725 -20.734 185 HE2 LYS 22 HE1 LYS 22 10.054 -0.593 -22.827 186 HE3 LYS 22 HE2 LYS 22 8.650 0.483 -23.199 187 HZ1 LYS 22 HZ1 LYS 22 10.162 2.330 -23.394 188 HZ2 LYS 22 HZ2 LYS 22 10.602 1.086 -24.457 189 HZ3 LYS 22 HZ3 LYS 22 11.499 1.344 -23.040 190 H LYS 23 HN LYS 23 4.948 1.903 -18.602 191 HA LYS 23 HA LYS 23 4.057 1.364 -21.084 192 HB2 LYS 23 HB1 LYS 23 2.642 3.146 -19.018 193 HB3 LYS 23 HB2 LYS 23 1.854 2.328 -20.409 194 HG2 LYS 23 HG1 LYS 23 2.692 0.108 -19.478 195 HG3 LYS 23 HG2 LYS 23 3.121 0.946 -17.963 196 HD2 LYS 23 HD1 LYS 23 0.339 0.938 -19.314 197 HD3 LYS 23 HD2 LYS 23 0.804 -0.220 -18.048 198 HE2 LYS 23 HE1 LYS 23 0.723 2.861 -17.617 199 HE3 LYS 23 HE2 LYS 23 -0.646 1.737 -17.263 200 HZ1 LYS 23 HZ1 LYS 23 0.633 2.121 -15.286 201 HZ2 LYS 23 HZ2 LYS 23 2.063 1.658 -16.026 202 HZ3 LYS 23 HZ3 LYS 23 0.859 0.512 -15.778 203 H CYS 24 HN CYS 24 4.685 4.743 -20.023 204 HA CYS 24 HA CYS 24 4.673 5.523 -22.795 205 HB2 CYS 24 HB1 CYS 24 2.769 7.146 -22.776 206 HB3 CYS 24 HB2 CYS 24 2.275 5.446 -22.659 Start of MODEL 19 1 H1 PHE 1 HN PHE 1 3.473 -0.289 -1.257 2 HA PHE 1 HA PHE 1 0.751 -1.161 -0.869 3 HB2 PHE 1 HB1 PHE 1 1.656 -0.276 1.365 4 HB3 PHE 1 HB2 PHE 1 1.946 1.306 0.574 5 HD1 PHE 1 HD1 PHE 1 0.216 2.897 0.739 6 HD2 PHE 1 HD2 PHE 1 -0.764 -1.263 1.159 7 HE1 PHE 1 HE1 PHE 1 -2.099 3.507 1.389 8 HE2 PHE 1 HE2 PHE 1 -3.080 -0.655 1.789 9 HZ PHE 1 HZ PHE 1 -3.746 1.730 1.914 10 H LEU 2 HN LEU 2 -0.773 0.109 -2.075 11 HA LEU 2 HA LEU 2 0.250 2.296 -3.665 12 HB2 LEU 2 HB1 LEU 2 0.264 1.305 -5.806 13 HB3 LEU 2 HB2 LEU 2 1.221 0.238 -4.754 14 HG LEU 2 HG LEU 2 -1.691 -0.281 -5.642 15 HD11 LEU 2 HD11 LEU 2 -0.700 -1.965 -7.174 16 HD12 LEU 2 HD12 LEU 2 0.957 -1.481 -6.651 17 HD13 LEU 2 HD13 LEU 2 -0.087 -0.307 -7.541 18 HD21 LEU 2 HD21 LEU 2 -1.245 -1.502 -3.523 19 HD22 LEU 2 HD22 LEU 2 0.323 -2.111 -4.181 20 HD23 LEU 2 HD23 LEU 2 -1.235 -2.654 -4.901 21 HA PRO 3 HA PRO 3 -4.307 1.796 -4.841 22 HB2 PRO 3 HB1 PRO 3 -6.134 2.084 -2.740 23 HB3 PRO 3 HB2 PRO 3 -5.523 0.488 -3.313 24 HG2 PRO 3 HG1 PRO 3 -4.459 2.146 -0.961 25 HG3 PRO 3 HG2 PRO 3 -4.901 0.393 -0.979 26 HD2 PRO 3 HD1 PRO 3 -2.300 1.239 -1.296 27 HD3 PRO 3 HD2 PRO 3 -2.937 -0.178 -2.258 28 H ILE 4 HN ILE 4 -3.312 3.818 -2.049 29 HA ILE 4 HA ILE 4 -4.525 6.183 -2.978 30 HB ILE 4 HB ILE 4 -2.960 7.373 -1.487 31 HG12 ILE 4 HG11 ILE 4 -1.809 4.568 -0.874 32 HG13 ILE 4 HG12 ILE 4 -0.944 5.880 -1.746 33 HG21 ILE 4 HG21 ILE 4 -5.174 6.375 -0.783 34 HG22 ILE 4 HG22 ILE 4 -4.316 4.880 -0.251 35 HG23 ILE 4 HG23 ILE 4 -3.986 6.451 0.557 36 HD11 ILE 4 HD1 ILE 4 -0.210 5.847 0.596 37 HD12 ILE 4 HD2 ILE 4 -1.133 7.359 0.286 38 HD13 ILE 4 HD3 ILE 4 -1.898 6.002 1.187 39 H LEU 5 HN LEU 5 -1.371 4.731 -3.726 40 HA LEU 5 HA LEU 5 -0.329 6.867 -5.236 41 HB2 LEU 5 HB1 LEU 5 0.900 4.940 -4.178 42 HB3 LEU 5 HB2 LEU 5 0.291 3.862 -5.464 43 HG LEU 5 HG LEU 5 1.915 6.402 -6.070 44 HD11 LEU 5 HD11 LEU 5 3.010 3.589 -5.430 45 HD12 LEU 5 HD12 LEU 5 3.198 5.062 -4.412 46 HD13 LEU 5 HD13 LEU 5 3.976 4.987 -6.033 47 HD21 LEU 5 HD21 LEU 5 0.898 5.349 -8.096 48 HD22 LEU 5 HD22 LEU 5 1.549 3.738 -7.599 49 HD23 LEU 5 HD23 LEU 5 2.672 5.063 -8.080 50 H ALA 6 HN ALA 6 -2.198 3.939 -6.217 51 HA ALA 6 HA ALA 6 -2.323 4.536 -8.948 52 HB1 ALA 6 HB1 ALA 6 -4.241 2.914 -8.939 53 HB2 ALA 6 HB2 ALA 6 -2.876 2.310 -7.929 54 HB3 ALA 6 HB3 ALA 6 -4.319 3.035 -7.139 55 H SER 7 HN SER 7 -4.569 5.463 -6.295 56 HA SER 7 HA SER 7 -6.415 6.850 -7.890 57 HB2 SER 7 HB1 SER 7 -6.779 6.136 -5.510 58 HB3 SER 7 HB2 SER 7 -5.640 7.414 -4.969 59 HG SER 7 HG1 SER 7 -7.924 7.993 -4.928 60 H LEU 8 HN LEU 8 -3.518 8.230 -6.132 61 HA LEU 8 HA LEU 8 -3.990 10.791 -7.216 62 HB2 LEU 8 HB1 LEU 8 -1.957 11.555 -6.269 63 HB3 LEU 8 HB2 LEU 8 -2.778 10.445 -5.136 64 HG LEU 8 HG LEU 8 -1.133 8.631 -6.188 65 HD11 LEU 8 HD11 LEU 8 0.466 11.256 -6.565 66 HD12 LEU 8 HD12 LEU 8 -0.031 10.141 -7.895 67 HD13 LEU 8 HD13 LEU 8 1.137 9.588 -6.644 68 HD21 LEU 8 HD21 LEU 8 -1.256 9.298 -3.800 69 HD22 LEU 8 HD22 LEU 8 -0.261 10.765 -4.137 70 HD23 LEU 8 HD23 LEU 8 0.458 9.123 -4.324 71 H ALA 9 HN ALA 9 -2.044 8.066 -8.468 72 HA ALA 9 HA ALA 9 -0.883 9.399 -10.616 73 HB1 ALA 9 HB1 ALA 9 -0.196 7.129 -9.882 74 HB2 ALA 9 HB2 ALA 9 -1.808 6.481 -10.336 75 HB3 ALA 9 HB3 ALA 9 -0.695 7.088 -11.617 76 H ALA 10 HN ALA 10 -4.093 7.706 -10.481 77 HA ALA 10 HA ALA 10 -4.824 8.377 -13.120 78 HB1 ALA 10 HB1 ALA 10 -6.537 7.827 -10.616 79 HB2 ALA 10 HB2 ALA 10 -7.130 7.772 -12.322 80 HB3 ALA 10 HB3 ALA 10 -5.907 6.580 -11.746 81 H LYS 11 HN LYS 11 -5.467 10.062 -10.021 82 HA LYS 11 HA LYS 11 -7.115 12.064 -10.987 83 HB2 LYS 11 HB1 LYS 11 -6.820 11.446 -8.600 84 HB3 LYS 11 HB2 LYS 11 -5.115 11.958 -8.667 85 HG2 LYS 11 HG1 LYS 11 -5.903 14.349 -9.090 86 HG3 LYS 11 HG2 LYS 11 -7.587 13.790 -8.814 87 HD2 LYS 11 HD1 LYS 11 -7.025 13.065 -6.523 88 HD3 LYS 11 HD2 LYS 11 -5.287 13.352 -6.790 89 HE2 LYS 11 HE1 LYS 11 -7.476 15.545 -6.701 90 HE3 LYS 11 HE2 LYS 11 -6.291 15.160 -5.388 91 HZ1 LYS 11 HZ1 LYS 11 -5.528 17.009 -6.701 92 HZ2 LYS 11 HZ2 LYS 11 -5.648 16.107 -8.136 93 HZ3 LYS 11 HZ3 LYS 11 -4.503 15.688 -6.977 94 H PHE 12 HN PHE 12 -3.542 12.201 -10.649 95 HA PHE 12 HA PHE 12 -3.383 14.253 -12.614 96 HB2 PHE 12 HB1 PHE 12 -2.623 16.181 -11.390 97 HB3 PHE 12 HB2 PHE 12 -4.276 15.740 -10.899 98 HD1 PHE 12 HD1 PHE 12 -2.610 17.706 -9.459 99 HD2 PHE 12 HD2 PHE 12 -2.898 13.443 -8.884 100 HE1 PHE 12 HE1 PHE 12 -1.994 17.971 -7.078 101 HE2 PHE 12 HE2 PHE 12 -2.295 13.726 -6.534 102 HZ PHE 12 HZ PHE 12 -1.838 15.977 -5.610 103 H GLY 13 HN GLY 13 -1.873 11.755 -11.099 104 HA2 GLY 13 HA1 GLY 13 0.821 12.756 -11.708 105 HA3 GLY 13 HA2 GLY 13 0.358 11.266 -10.860 106 HA PRO 14 HA PRO 14 -0.164 8.933 -14.350 107 HB2 PRO 14 HB1 PRO 14 -1.334 9.446 -16.827 108 HB3 PRO 14 HB2 PRO 14 -2.284 9.403 -15.293 109 HG2 PRO 14 HG1 PRO 14 -1.125 11.912 -16.642 110 HG3 PRO 14 HG2 PRO 14 -2.838 11.604 -16.128 111 HD2 PRO 14 HD1 PRO 14 -1.102 12.939 -14.454 112 HD3 PRO 14 HD2 PRO 14 -2.269 11.697 -13.809 113 H LYS 15 HN LYS 15 1.246 11.870 -15.650 114 HA LYS 15 HA LYS 15 2.838 10.606 -17.635 115 HB2 LYS 15 HB1 LYS 15 2.375 13.048 -17.636 116 HB3 LYS 15 HB2 LYS 15 3.301 13.230 -16.125 117 HG2 LYS 15 HG1 LYS 15 4.599 13.978 -18.105 118 HG3 LYS 15 HG2 LYS 15 5.404 12.654 -17.227 119 HD2 LYS 15 HD1 LYS 15 5.663 12.366 -19.629 120 HD3 LYS 15 HD2 LYS 15 4.739 11.009 -18.926 121 HE2 LYS 15 HE1 LYS 15 2.584 12.027 -19.810 122 HE3 LYS 15 HE2 LYS 15 3.536 13.397 -20.511 123 HZ1 LYS 15 HZ1 LYS 15 3.873 10.511 -21.187 124 HZ2 LYS 15 HZ2 LYS 15 4.723 11.808 -21.872 125 HZ3 LYS 15 HZ3 LYS 15 3.056 11.662 -22.128 126 H LEU 16 HN LEU 16 3.465 11.287 -14.160 127 HA LEU 16 HA LEU 16 6.104 10.238 -14.165 128 HB2 LEU 16 HB1 LEU 16 5.145 11.812 -12.478 129 HB3 LEU 16 HB2 LEU 16 4.007 10.556 -11.921 130 HG LEU 16 HG LEU 16 6.025 11.064 -10.480 131 HD11 LEU 16 HD11 LEU 16 5.852 8.098 -11.272 132 HD12 LEU 16 HD12 LEU 16 4.699 8.969 -10.185 133 HD13 LEU 16 HD13 LEU 16 6.431 8.796 -9.724 134 HD21 LEU 16 HD21 LEU 16 7.756 11.271 -12.272 135 HD22 LEU 16 HD22 LEU 16 7.649 9.492 -12.574 136 HD23 LEU 16 HD23 LEU 16 8.225 10.102 -10.985 137 H PHE 17 HN PHE 17 2.891 8.832 -13.422 138 HA PHE 17 HA PHE 17 3.790 6.294 -12.745 139 HB2 PHE 17 HB1 PHE 17 1.486 7.359 -12.349 140 HB3 PHE 17 HB2 PHE 17 1.091 7.008 -14.068 141 HD1 PHE 17 HD1 PHE 17 2.365 5.351 -10.909 142 HD2 PHE 17 HD2 PHE 17 0.088 4.928 -14.525 143 HE1 PHE 17 HE1 PHE 17 1.655 3.095 -10.194 144 HE2 PHE 17 HE2 PHE 17 -0.633 2.670 -13.804 145 HZ PHE 17 HZ PHE 17 0.153 1.750 -11.637 146 H CYS 18 HN CYS 18 2.836 7.500 -16.024 147 HA CYS 18 HA CYS 18 3.320 5.017 -17.256 148 HB2 CYS 18 HB1 CYS 18 3.043 5.984 -19.369 149 HB3 CYS 18 HB2 CYS 18 1.878 6.766 -18.266 150 H LEU 19 HN LEU 19 5.617 7.714 -16.588 151 HA LEU 19 HA LEU 19 7.760 6.511 -18.025 152 HB2 LEU 19 HB1 LEU 19 7.619 8.439 -15.650 153 HB3 LEU 19 HB2 LEU 19 9.176 7.954 -16.390 154 HG LEU 19 HG LEU 19 6.932 9.235 -18.035 155 HD11 LEU 19 HD11 LEU 19 8.121 11.418 -17.726 156 HD12 LEU 19 HD12 LEU 19 9.241 10.638 -16.548 157 HD13 LEU 19 HD13 LEU 19 7.485 10.774 -16.164 158 HD21 LEU 19 HD21 LEU 19 9.994 9.077 -18.437 159 HD22 LEU 19 HD22 LEU 19 8.818 9.841 -19.563 160 HD23 LEU 19 HD23 LEU 19 8.795 8.053 -19.302 161 H VAL 20 HN VAL 20 6.930 6.360 -14.500 162 HA VAL 20 HA VAL 20 9.041 4.651 -13.838 163 HB VAL 20 HB VAL 20 6.381 5.221 -12.467 164 HG11 VAL 20 HG11 VAL 20 7.542 4.333 -10.380 165 HG12 VAL 20 HG12 VAL 20 7.220 3.032 -11.574 166 HG13 VAL 20 HG13 VAL 20 8.881 3.718 -11.411 167 HG21 VAL 20 HG21 VAL 20 7.950 7.187 -12.748 168 HG22 VAL 20 HG22 VAL 20 7.857 6.671 -11.028 169 HG23 VAL 20 HG23 VAL 20 9.284 6.216 -12.021 170 H THR 21 HN THR 21 5.666 3.810 -14.728 171 HA THR 21 HA THR 21 6.402 0.974 -14.414 172 HB THR 21 HB THR 21 4.138 0.366 -14.460 173 HG1 THR 21 HG1 THR 21 3.494 3.101 -14.764 174 HG21 THR 21 HG21 THR 21 3.299 1.567 -12.468 175 HG22 THR 21 HG22 THR 21 4.452 2.918 -12.735 176 HG23 THR 21 HG23 THR 21 5.070 1.282 -12.306 177 H LYS 22 HN LYS 22 7.145 2.856 -16.735 178 HA LYS 22 HA LYS 22 7.465 2.799 -18.863 179 HB2 LYS 22 HB1 LYS 22 8.813 0.896 -17.949 180 HB3 LYS 22 HB2 LYS 22 7.537 -0.218 -18.516 181 HG2 LYS 22 HG1 LYS 22 9.337 -0.276 -20.113 182 HG3 LYS 22 HG2 LYS 22 7.960 0.559 -20.892 183 HD2 LYS 22 HD1 LYS 22 9.127 2.798 -20.164 184 HD3 LYS 22 HD2 LYS 22 10.566 1.810 -19.807 185 HE2 LYS 22 HE1 LYS 22 9.096 2.133 -22.528 186 HE3 LYS 22 HE2 LYS 22 10.687 2.861 -22.081 187 HZ1 LYS 22 HZ1 LYS 22 11.579 0.622 -21.871 188 HZ2 LYS 22 HZ2 LYS 22 10.931 0.874 -23.422 189 HZ3 LYS 22 HZ3 LYS 22 10.074 -0.045 -22.283 190 H LYS 23 HN LYS 23 5.034 3.523 -18.958 191 HA LYS 23 HA LYS 23 4.113 2.166 -21.452 192 HB2 LYS 23 HB1 LYS 23 2.475 3.638 -19.350 193 HB3 LYS 23 HB2 LYS 23 2.020 3.784 -21.069 194 HG2 LYS 23 HG1 LYS 23 0.665 2.047 -20.215 195 HG3 LYS 23 HG2 LYS 23 1.841 1.364 -21.368 196 HD2 LYS 23 HD1 LYS 23 1.578 -0.163 -19.496 197 HD3 LYS 23 HD2 LYS 23 3.233 0.511 -19.481 198 HE2 LYS 23 HE1 LYS 23 2.459 2.199 -17.699 199 HE3 LYS 23 HE2 LYS 23 0.859 1.360 -17.659 200 HZ1 LYS 23 HZ1 LYS 23 2.497 0.696 -15.982 201 HZ2 LYS 23 HZ2 LYS 23 3.505 0.105 -17.154 202 HZ3 LYS 23 HZ3 LYS 23 1.988 -0.647 -16.927 203 H CYS 24 HN CYS 24 5.952 4.705 -20.229 204 HA CYS 24 HA CYS 24 5.490 6.279 -22.698 205 HB2 CYS 24 HB2 CYS 24 7.076 6.916 -20.159 206 HB3 CYS 24 HB1 CYS 24 7.106 7.933 -21.637 Start of MODEL 20 1 H1 PHE 1 HN PHE 1 0.171 -0.659 0.994 2 HA PHE 1 HA PHE 1 1.009 1.619 0.794 3 HB2 PHE 1 HB1 PHE 1 2.499 -0.410 -1.017 4 HB3 PHE 1 HB2 PHE 1 3.224 1.091 -0.315 5 HD1 PHE 1 HD1 PHE 1 3.128 1.347 2.264 6 HD2 PHE 1 HD2 PHE 1 2.579 -2.403 0.233 7 HE1 PHE 1 HE1 PHE 1 3.676 0.134 4.350 8 HE2 PHE 1 HE2 PHE 1 3.131 -3.612 2.325 9 HZ PHE 1 HZ PHE 1 3.677 -2.344 4.383 10 H LEU 2 HN LEU 2 0.060 0.014 -2.185 11 HA LEU 2 HA LEU 2 0.489 2.458 -3.708 12 HB2 LEU 2 HB1 LEU 2 0.377 1.192 -5.667 13 HB3 LEU 2 HB2 LEU 2 1.364 0.270 -4.503 14 HG LEU 2 HG LEU 2 -1.591 -0.315 -5.182 15 HD11 LEU 2 HD11 LEU 2 -0.092 -0.624 -7.142 16 HD12 LEU 2 HD12 LEU 2 -0.703 -2.205 -6.524 17 HD13 LEU 2 HD13 LEU 2 0.985 -1.689 -6.158 18 HD21 LEU 2 HD21 LEU 2 0.474 -1.975 -3.592 19 HD22 LEU 2 HD22 LEU 2 -1.120 -2.579 -4.166 20 HD23 LEU 2 HD23 LEU 2 -1.061 -1.264 -2.950 21 HA PRO 3 HA PRO 3 -4.081 1.864 -4.694 22 HB2 PRO 3 HB1 PRO 3 -5.954 2.120 -2.637 23 HB3 PRO 3 HB2 PRO 3 -5.213 0.546 -3.112 24 HG2 PRO 3 HG1 PRO 3 -4.329 2.398 -0.833 25 HG3 PRO 3 HG2 PRO 3 -4.631 0.617 -0.772 26 HD2 PRO 3 HD1 PRO 3 -2.096 1.659 -1.094 27 HD3 PRO 3 HD2 PRO 3 -2.595 0.142 -1.970 28 H ILE 4 HN ILE 4 -3.362 4.076 -1.937 29 HA ILE 4 HA ILE 4 -4.711 6.282 -3.039 30 HB ILE 4 HB ILE 4 -3.544 7.679 -1.503 31 HG12 ILE 4 HG11 ILE 4 -1.241 6.803 -1.514 32 HG13 ILE 4 HG12 ILE 4 -1.927 6.960 0.115 33 HG21 ILE 4 HG21 ILE 4 -4.380 6.630 0.573 34 HG22 ILE 4 HG22 ILE 4 -5.526 6.369 -0.789 35 HG23 ILE 4 HG23 ILE 4 -4.469 5.023 -0.223 36 HD11 ILE 4 HD1 ILE 4 -1.490 4.293 -1.389 37 HD12 ILE 4 HD2 ILE 4 -0.595 4.922 0.023 38 HD13 ILE 4 HD3 ILE 4 -2.313 4.456 0.219 39 H LEU 5 HN LEU 5 -1.384 5.110 -3.443 40 HA LEU 5 HA LEU 5 -0.406 7.218 -4.998 41 HB2 LEU 5 HB1 LEU 5 0.831 5.359 -3.796 42 HB3 LEU 5 HB2 LEU 5 0.393 4.249 -5.122 43 HG LEU 5 HG LEU 5 1.937 6.876 -5.571 44 HD11 LEU 5 HD11 LEU 5 3.103 4.097 -4.914 45 HD12 LEU 5 HD12 LEU 5 3.134 5.544 -3.842 46 HD13 LEU 5 HD13 LEU 5 4.048 5.557 -5.393 47 HD21 LEU 5 HD21 LEU 5 1.134 5.844 -7.694 48 HD22 LEU 5 HD22 LEU 5 1.801 4.242 -7.187 49 HD23 LEU 5 HD23 LEU 5 2.910 5.619 -7.541 50 H ALA 6 HN ALA 6 -2.025 4.149 -6.024 51 HA ALA 6 HA ALA 6 -2.015 4.696 -8.770 52 HB1 ALA 6 HB1 ALA 6 -3.814 2.941 -8.850 53 HB2 ALA 6 HB2 ALA 6 -2.473 2.450 -7.747 54 HB3 ALA 6 HB3 ALA 6 -4.007 3.082 -7.060 55 H SER 7 HN SER 7 -4.465 5.511 -6.272 56 HA SER 7 HA SER 7 -6.315 6.720 -8.001 57 HB2 SER 7 HB1 SER 7 -6.743 6.036 -5.611 58 HB3 SER 7 HB2 SER 7 -5.766 7.439 -5.063 59 HG SER 7 HG1 SER 7 -8.058 7.845 -5.158 60 H LEU 8 HN LEU 8 -3.641 8.352 -6.110 61 HA LEU 8 HA LEU 8 -4.229 10.852 -7.263 62 HB2 LEU 8 HB1 LEU 8 -2.358 11.774 -6.173 63 HB3 LEU 8 HB2 LEU 8 -3.119 10.570 -5.103 64 HG LEU 8 HG LEU 8 -1.250 8.938 -6.078 65 HD11 LEU 8 HD11 LEU 8 -0.216 10.568 -7.717 66 HD12 LEU 8 HD12 LEU 8 0.936 10.120 -6.410 67 HD13 LEU 8 HD13 LEU 8 0.097 11.711 -6.356 68 HD21 LEU 8 HD21 LEU 8 0.188 9.564 -4.131 69 HD22 LEU 8 HD22 LEU 8 -1.560 9.566 -3.696 70 HD23 LEU 8 HD23 LEU 8 -0.698 11.126 -3.974 71 H ALA 9 HN ALA 9 -2.043 8.255 -8.350 72 HA ALA 9 HA ALA 9 -0.843 9.613 -10.457 73 HB1 ALA 9 HB1 ALA 9 -0.448 7.319 -11.404 74 HB2 ALA 9 HB2 ALA 9 -0.078 7.400 -9.640 75 HB3 ALA 9 HB3 ALA 9 -1.612 6.650 -10.197 76 H ALA 10 HN ALA 10 -3.986 7.795 -10.452 77 HA ALA 10 HA ALA 10 -4.620 8.477 -13.134 78 HB1 ALA 10 HB1 ALA 10 -6.421 7.809 -10.724 79 HB2 ALA 10 HB2 ALA 10 -6.935 7.782 -12.455 80 HB3 ALA 10 HB3 ALA 10 -5.703 6.612 -11.853 81 H LYS 11 HN LYS 11 -5.425 10.060 -10.020 82 HA LYS 11 HA LYS 11 -7.133 11.959 -11.057 83 HB2 LYS 11 HB1 LYS 11 -6.951 11.133 -8.712 84 HB3 LYS 11 HB2 LYS 11 -5.482 12.113 -8.472 85 HG2 LYS 11 HG1 LYS 11 -8.146 13.360 -9.367 86 HG3 LYS 11 HG2 LYS 11 -7.881 12.932 -7.659 87 HD2 LYS 11 HD1 LYS 11 -6.372 14.574 -7.209 88 HD3 LYS 11 HD2 LYS 11 -5.602 14.497 -8.800 89 HE2 LYS 11 HE1 LYS 11 -8.268 15.944 -8.176 90 HE3 LYS 11 HE2 LYS 11 -6.653 16.700 -8.493 91 HZ1 LYS 11 HZ1 LYS 11 -8.442 15.263 -10.353 92 HZ2 LYS 11 HZ2 LYS 11 -6.801 15.299 -10.656 93 HZ3 LYS 11 HZ3 LYS 11 -7.660 16.761 -10.556 94 H PHE 12 HN PHE 12 -3.604 12.339 -10.534 95 HA PHE 12 HA PHE 12 -3.583 14.305 -12.612 96 HB2 PHE 12 HB1 PHE 12 -2.499 16.209 -11.285 97 HB3 PHE 12 HB2 PHE 12 -4.254 15.961 -11.099 98 HD1 PHE 12 HD1 PHE 12 -4.100 17.467 -9.152 99 HD2 PHE 12 HD2 PHE 12 -2.011 13.692 -9.165 100 HE1 PHE 12 HE1 PHE 12 -3.867 17.566 -6.688 101 HE2 PHE 12 HE2 PHE 12 -1.774 13.825 -6.740 102 HZ PHE 12 HZ PHE 12 -2.714 15.737 -5.482 103 H GLY 13 HN GLY 13 -1.974 11.828 -11.176 104 HA2 GLY 13 HA1 GLY 13 0.687 12.889 -11.834 105 HA3 GLY 13 HA2 GLY 13 0.278 11.405 -10.951 106 HA PRO 14 HA PRO 14 -0.245 9.069 -14.484 107 HB2 PRO 14 HB1 PRO 14 -1.269 9.655 -17.017 108 HB3 PRO 14 HB2 PRO 14 -2.297 9.552 -15.536 109 HG2 PRO 14 HG1 PRO 14 -1.088 12.106 -16.744 110 HG3 PRO 14 HG2 PRO 14 -2.821 11.780 -16.318 111 HD2 PRO 14 HD1 PRO 14 -1.170 13.068 -14.531 112 HD3 PRO 14 HD2 PRO 14 -2.344 11.792 -13.963 113 H LYS 15 HN LYS 15 1.270 12.003 -15.736 114 HA LYS 15 HA LYS 15 2.760 10.729 -17.766 115 HB2 LYS 15 HB1 LYS 15 2.245 13.286 -17.192 116 HB3 LYS 15 HB2 LYS 15 3.861 13.235 -16.445 117 HG2 LYS 15 HG1 LYS 15 3.157 12.416 -19.350 118 HG3 LYS 15 HG2 LYS 15 3.676 14.060 -18.863 119 HD2 LYS 15 HD1 LYS 15 5.908 13.193 -18.155 120 HD3 LYS 15 HD2 LYS 15 5.390 11.521 -18.495 121 HE2 LYS 15 HE1 LYS 15 6.838 12.300 -20.316 122 HE3 LYS 15 HE2 LYS 15 5.166 11.988 -20.924 123 HZ1 LYS 15 HZ1 LYS 15 6.075 14.045 -21.783 124 HZ2 LYS 15 HZ2 LYS 15 6.298 14.657 -20.219 125 HZ3 LYS 15 HZ3 LYS 15 4.734 14.356 -20.799 126 H LEU 16 HN LEU 16 3.702 11.408 -14.317 127 HA LEU 16 HA LEU 16 6.237 10.146 -14.638 128 HB2 LEU 16 HB1 LEU 16 6.373 10.116 -12.174 129 HB3 LEU 16 HB2 LEU 16 6.155 11.732 -12.879 130 HG LEU 16 HG LEU 16 3.684 10.249 -11.875 131 HD11 LEU 16 HD11 LEU 16 4.092 11.112 -9.581 132 HD12 LEU 16 HD12 LEU 16 5.718 11.705 -10.077 133 HD13 LEU 16 HD13 LEU 16 5.366 9.937 -10.069 134 HD21 LEU 16 HD21 LEU 16 4.582 13.213 -11.845 135 HD22 LEU 16 HD22 LEU 16 3.025 12.587 -11.209 136 HD23 LEU 16 HD23 LEU 16 3.363 12.499 -12.973 137 H PHE 17 HN PHE 17 3.040 8.959 -13.551 138 HA PHE 17 HA PHE 17 3.825 6.389 -12.837 139 HB2 PHE 17 HB1 PHE 17 1.603 7.464 -12.355 140 HB3 PHE 17 HB2 PHE 17 1.214 7.445 -14.105 141 HD1 PHE 17 HD1 PHE 17 2.645 4.732 -11.861 142 HD2 PHE 17 HD2 PHE 17 -0.683 6.083 -14.221 143 HE1 PHE 17 HE1 PHE 17 1.475 2.614 -11.423 144 HE2 PHE 17 HE2 PHE 17 -1.871 3.966 -13.756 145 HZ PHE 17 HZ PHE 17 -0.793 2.224 -12.345 146 H CYS 18 HN CYS 18 2.861 7.635 -16.047 147 HA CYS 18 HA CYS 18 3.050 5.309 -17.547 148 HB2 CYS 18 HB1 CYS 18 2.017 7.469 -18.261 149 HB3 CYS 18 HB2 CYS 18 3.619 8.248 -18.260 150 H LEU 19 HN LEU 19 5.679 7.685 -16.767 151 HA LEU 19 HA LEU 19 7.641 6.268 -18.272 152 HB2 LEU 19 HB1 LEU 19 7.843 8.281 -15.966 153 HB3 LEU 19 HB2 LEU 19 9.256 7.711 -16.908 154 HG LEU 19 HG LEU 19 6.852 9.153 -18.167 155 HD11 LEU 19 HD11 LEU 19 7.948 10.635 -16.500 156 HD12 LEU 19 HD12 LEU 19 8.313 11.191 -18.180 157 HD13 LEU 19 HD13 LEU 19 9.559 10.296 -17.234 158 HD21 LEU 19 HD21 LEU 19 8.449 9.555 -20.062 159 HD22 LEU 19 HD22 LEU 19 8.200 7.792 -19.783 160 HD23 LEU 19 HD23 LEU 19 9.707 8.593 -19.203 161 H VAL 20 HN VAL 20 6.985 6.352 -14.713 162 HA VAL 20 HA VAL 20 9.088 4.656 -14.025 163 HB VAL 20 HB VAL 20 6.497 5.372 -12.589 164 HG11 VAL 20 HG11 VAL 20 7.729 4.620 -10.490 165 HG12 VAL 20 HG12 VAL 20 7.343 3.240 -11.571 166 HG13 VAL 20 HG13 VAL 20 9.016 3.909 -11.524 167 HG21 VAL 20 HG21 VAL 20 8.038 6.904 -11.324 168 HG22 VAL 20 HG22 VAL 20 9.429 6.342 -12.314 169 HG23 VAL 20 HG23 VAL 20 8.098 7.283 -13.082 170 H THR 21 HN THR 21 5.715 3.833 -14.806 171 HA THR 21 HA THR 21 6.410 0.974 -14.374 172 HB THR 21 HB THR 21 4.050 0.444 -14.318 173 HG1 THR 21 HG1 THR 21 3.785 3.265 -14.489 174 HG21 THR 21 HG21 THR 21 3.576 1.482 -12.115 175 HG22 THR 21 HG22 THR 21 4.828 2.747 -12.395 176 HG23 THR 21 HG23 THR 21 5.314 1.025 -12.216 177 H LYS 22 HN LYS 22 7.041 2.741 -16.756 178 HA LYS 22 HA LYS 22 7.222 2.546 -18.913 179 HB2 LYS 22 HB1 LYS 22 8.680 0.860 -18.006 180 HB3 LYS 22 HB2 LYS 22 7.382 -0.363 -18.080 181 HG2 LYS 22 HG1 LYS 22 9.148 -0.621 -19.850 182 HG3 LYS 22 HG2 LYS 22 7.482 -0.512 -20.464 183 HD2 LYS 22 HD1 LYS 22 7.897 1.962 -20.989 184 HD3 LYS 22 HD2 LYS 22 9.628 1.696 -20.572 185 HE2 LYS 22 HE1 LYS 22 9.772 -0.035 -22.421 186 HE3 LYS 22 HE2 LYS 22 8.003 0.166 -22.737 187 HZ1 LYS 22 HZ1 LYS 22 8.461 2.516 -23.223 188 HZ2 LYS 22 HZ2 LYS 22 9.216 1.454 -24.299 189 HZ3 LYS 22 HZ3 LYS 22 10.119 2.234 -23.089 190 H LYS 23 HN LYS 23 4.725 3.267 -18.840 191 HA LYS 23 HA LYS 23 3.489 1.613 -20.999 192 HB2 LYS 23 HB1 LYS 23 2.271 3.802 -19.234 193 HB3 LYS 23 HB2 LYS 23 1.561 3.272 -20.788 194 HG2 LYS 23 HG1 LYS 23 0.351 1.869 -19.509 195 HG3 LYS 23 HG2 LYS 23 1.759 0.830 -19.832 196 HD2 LYS 23 HD1 LYS 23 1.299 0.528 -17.557 197 HD3 LYS 23 HD2 LYS 23 2.718 1.614 -17.549 198 HE2 LYS 23 HE1 LYS 23 1.255 3.581 -17.043 199 HE3 LYS 23 HE2 LYS 23 -0.229 2.570 -17.274 200 HZ1 LYS 23 HZ1 LYS 23 0.489 1.205 -15.404 201 HZ2 LYS 23 HZ2 LYS 23 0.357 2.836 -14.924 202 HZ3 LYS 23 HZ3 LYS 23 1.863 2.158 -15.212 203 H CYS 24 HN CYS 24 5.583 4.260 -20.515 204 HA CYS 24 HA CYS 24 4.702 5.627 -22.934 205 HB2 CYS 24 HB1 CYS 24 7.114 6.107 -21.121 206 HB3 CYS 24 HB2 CYS 24 6.699 7.109 -22.553
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