NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
655102 | 7l51 | 30827 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 -6.082 -7.374 4.590 2 HA2 GLY 1 HA2 GLY 1 -7.267 -5.654 3.504 3 HA3 GLY 1 HA1 GLY 1 -7.910 -5.143 5.066 4 H PHE 2 HN PHE 2 -7.047 -3.058 3.952 5 HA PHE 2 HA PHE 2 -4.464 -2.566 5.171 6 HB2 PHE 2 HB2 PHE 2 -3.918 -3.289 2.878 7 HB3 PHE 2 HB1 PHE 2 -4.962 -2.034 2.236 8 HD1 PHE 2 HD1 PHE 2 -3.852 -0.239 1.360 9 HD2 PHE 2 HD2 PHE 2 -2.151 -2.250 4.695 10 HE1 PHE 2 HE1 PHE 2 -1.939 1.302 1.310 11 HE2 PHE 2 HE2 PHE 2 -0.234 -0.696 4.652 12 HZ PHE 2 HZ PHE 2 -0.130 1.071 2.956 13 H CYS 3 HN CYS 3 -4.482 -0.713 6.152 14 HA CYS 3 HA CYS 3 -6.387 1.336 5.333 15 HB2 CYS 3 HB2 CYS 3 -5.394 0.649 8.107 16 HB3 CYS 3 HB1 CYS 3 -6.367 2.056 7.706 17 H TRP 4 HN TRP 4 -5.471 3.089 4.691 18 HA TRP 4 HA TRP 4 -2.903 3.877 5.767 19 HB2 TRP 4 HB2 TRP 4 -2.509 2.491 3.738 20 HB3 TRP 4 HB1 TRP 4 -3.482 3.603 2.803 21 HD1 TRP 4 HD1 TRP 4 -2.124 5.482 1.639 22 HE1 TRP 4 HE1 TRP 4 0.276 6.433 1.872 23 HE3 TRP 4 3HE TRP 4 -0.605 2.849 5.744 24 HZ2 TRP 4 HZ2 TRP 4 2.495 6.110 3.599 25 HZ3 TRP 4 HZ3 TRP 4 1.658 3.227 6.625 26 HH2 TRP 4 2HH TRP 4 3.176 4.822 5.571 27 H HIS 5 HN HIS 5 -3.208 5.854 6.421 28 HA HIS 5 HA HIS 5 -3.906 7.971 6.697 29 HB2 HIS 5 HB2 HIS 5 -4.492 7.835 3.718 30 HB3 HIS 5 HB1 HIS 5 -4.588 9.312 4.668 31 HD1 HIS 5 HD1 HIS 5 -2.464 8.264 2.261 32 HD2 HIS 5 HD2 HIS 5 -1.778 9.110 6.273 33 HE1 HIS 5 HE1 HIS 5 -0.019 8.810 2.451 34 H HIS 6 HN HIS 6 -5.596 5.813 7.167 35 HA HIS 6 HA HIS 6 -7.566 5.426 8.120 36 HB2 HIS 6 HB2 HIS 6 -8.294 8.261 7.367 37 HB3 HIS 6 HB1 HIS 6 -9.416 7.177 8.177 38 HD1 HIS 6 HD1 HIS 6 -9.284 7.157 10.700 39 HD2 HIS 6 HD2 HIS 6 -5.901 8.780 8.923 40 HE1 HIS 6 HE1 HIS 6 -7.873 8.064 12.581 41 H SER 7 HN SER 7 -7.116 5.765 4.938 42 HA SER 7 HA SER 7 -9.778 4.944 4.195 43 HB2 SER 7 HB2 SER 7 -7.210 5.207 2.614 44 HB3 SER 7 HB1 SER 7 -8.803 4.883 1.924 45 HG SER 7 HG SER 7 -9.420 6.870 2.316 46 H CYS 8 HN CYS 8 -10.350 2.854 4.225 47 HA CYS 8 HA CYS 8 -8.217 0.851 4.439 48 HB2 CYS 8 HB2 CYS 8 -10.935 0.866 5.735 49 HB3 CYS 8 HB1 CYS 8 -9.780 -0.456 5.811 50 H VAL 9 HN VAL 9 -8.224 -0.710 3.045 51 HA VAL 9 HA VAL 9 -10.665 -1.294 1.545 52 HB VAL 9 HB VAL 9 -9.085 -2.598 -0.029 53 HG11 VAL 9 HG11 VAL 9 -10.107 -0.592 -0.779 54 HG12 VAL 9 HG12 VAL 9 -8.405 -0.507 -1.248 55 HG13 VAL 9 3HG1 VAL 9 -8.999 0.391 0.156 56 HG21 VAL 9 HG21 VAL 9 -7.023 -0.884 1.369 57 HG22 VAL 9 HG22 VAL 9 -6.745 -1.816 -0.101 58 HG23 VAL 9 HG23 VAL 9 -7.116 -2.645 1.412 59 HA PRO 10 HA PRO 10 -11.130 -4.957 3.838 60 HB2 PRO 10 HB2 PRO 10 -12.425 -6.549 2.083 61 HB3 PRO 10 HB1 PRO 10 -13.176 -5.131 2.828 62 HG2 PRO 10 HG2 PRO 10 -11.891 -5.374 0.130 63 HG3 PRO 10 HG1 PRO 10 -13.458 -4.657 0.550 64 HD2 PRO 10 HD2 PRO 10 -11.297 -3.130 0.168 65 HD3 PRO 10 HD1 PRO 10 -12.490 -2.741 1.426 66 H SER 11 HN SER 11 -10.694 -7.263 3.927 67 HA SER 11 HA SER 11 -8.141 -7.982 3.054 68 HB2 SER 11 HB2 SER 11 -8.887 -10.261 3.867 69 HB3 SER 11 HB1 SER 11 -9.052 -8.953 5.037 70 HG SER 11 HG SER 11 -11.152 -9.716 3.325 71 H GLY 12 HN GLY 12 -7.484 -8.914 1.209 72 HA2 GLY 12 HA2 GLY 12 -7.956 -10.519 -0.581 73 HA3 GLY 12 HA1 GLY 12 -9.584 -9.851 -0.631 74 H THR 13 HN THR 13 -8.033 -7.203 -0.109 75 HA THR 13 HA THR 13 -7.883 -6.473 -2.866 76 HB THR 13 HB THR 13 -6.954 -4.886 -0.452 77 HG1 THR 13 HG1 THR 13 -9.038 -5.168 0.016 78 HG21 THR 13 HG21 THR 13 -7.456 -2.949 -1.897 79 HG22 THR 13 HG22 THR 13 -7.922 -4.045 -3.198 80 HG23 THR 13 HG23 THR 13 -6.250 -3.999 -2.642 81 H CYS 14 HN CYS 14 -6.149 -6.803 -4.105 82 HA CYS 14 HA CYS 14 -3.539 -7.121 -2.829 83 HB2 CYS 14 HB2 CYS 14 -4.374 -8.085 -5.570 84 HB3 CYS 14 HB1 CYS 14 -2.918 -8.509 -4.691 85 H ALA 15 HN ALA 15 -1.941 -5.695 -3.465 86 HA ALA 15 HA ALA 15 -2.645 -3.899 -5.664 87 HB1 ALA 15 HB1 ALA 15 -1.380 -3.095 -3.046 88 HB2 ALA 15 HB2 ALA 15 -3.042 -2.764 -3.531 89 HB3 ALA 15 HB3 ALA 15 -1.702 -2.027 -4.413 90 H ASP 16 HN ASP 16 -0.978 -3.223 -6.924 91 HA ASP 16 HA ASP 16 1.438 -4.827 -6.767 92 HB2 ASP 16 HB2 ASP 16 0.137 -4.616 -8.913 93 HB3 ASP 16 HB1 ASP 16 0.550 -2.906 -8.932 94 H PHE 17 HN PHE 17 2.937 -3.984 -5.520 95 HA PHE 17 HA PHE 17 3.289 -1.096 -5.345 96 HB2 PHE 17 HB2 PHE 17 4.346 -3.430 -3.757 97 HB3 PHE 17 HB1 PHE 17 4.946 -1.797 -3.543 98 HD1 PHE 17 HD1 PHE 17 3.847 -0.299 -2.174 99 HD2 PHE 17 HD2 PHE 17 1.931 -3.924 -3.269 100 HE1 PHE 17 HE1 PHE 17 2.110 0.121 -0.495 101 HE2 PHE 17 HE2 PHE 17 0.183 -3.507 -1.594 102 HZ PHE 17 HZ PHE 17 0.283 -1.458 -0.204 103 HA PRO 18 HA PRO 18 7.081 -1.320 -7.738 104 HB2 PRO 18 HB2 PRO 18 8.524 0.330 -5.789 105 HB3 PRO 18 HB1 PRO 18 8.059 0.729 -7.442 106 HG2 PRO 18 HG2 PRO 18 6.913 1.885 -5.283 107 HG3 PRO 18 HG1 PRO 18 6.043 1.619 -6.798 108 HD2 PRO 18 HD2 PRO 18 5.928 0.081 -4.249 109 HD3 PRO 18 HD1 PRO 18 4.624 0.499 -5.381 110 H TRP 19 HN TRP 19 9.448 -1.829 -7.449 111 HA TRP 19 HA TRP 19 9.773 -4.141 -5.833 112 HB2 TRP 19 HB2 TRP 19 10.856 -3.693 -8.091 113 HB3 TRP 19 HB1 TRP 19 11.894 -2.524 -7.286 114 HD1 TRP 19 HD1 TRP 19 11.263 -6.298 -7.549 115 HE1 TRP 19 HE1 TRP 19 13.355 -7.537 -6.715 116 HE3 TRP 19 3HE TRP 19 13.943 -2.305 -5.837 117 HZ2 TRP 19 HZ2 TRP 19 15.818 -6.904 -5.508 118 HZ3 TRP 19 HZ3 TRP 19 16.166 -2.704 -4.865 119 HH2 TRP 19 2HH TRP 19 17.083 -4.958 -4.703 120 HA PRO 20 HA PRO 20 11.380 -5.218 -4.773 121 HB2 PRO 20 HB2 PRO 20 12.019 -5.933 -2.146 122 HB3 PRO 20 HB1 PRO 20 13.159 -5.616 -3.453 123 HG2 PRO 20 HG2 PRO 20 12.829 -4.079 -1.112 124 HG3 PRO 20 HG1 PRO 20 13.754 -3.632 -2.553 125 HD2 PRO 20 HD2 PRO 20 10.990 -2.842 -1.753 126 HD3 PRO 20 HD1 PRO 20 12.223 -1.911 -2.628 127 H LEU 21 HN LEU 21 8.988 -3.655 -3.387 128 HA LEU 21 HA LEU 21 7.778 -5.619 -1.718 129 HB2 LEU 21 HB2 LEU 21 6.757 -3.131 -3.044 130 HB3 LEU 21 HB1 LEU 21 5.703 -4.186 -2.126 131 HG LEU 21 HG LEU 21 8.164 -2.917 -0.924 132 HD11 LEU 21 HD11 LEU 21 5.294 -1.985 -0.830 133 HD12 LEU 21 HD12 LEU 21 6.600 -1.170 -1.697 134 HD13 LEU 21 HD13 LEU 21 6.650 -1.297 0.063 135 HD21 LEU 21 HD21 LEU 21 5.677 -4.125 0.222 136 HD22 LEU 21 HD22 LEU 21 7.038 -3.466 1.136 137 HD23 LEU 21 HD23 LEU 21 7.245 -4.917 0.155 138 H GLY 22 HN GLY 22 6.808 -4.410 -4.906 139 HA2 GLY 22 HA2 GLY 22 5.953 -5.569 -6.693 140 HA3 GLY 22 HA1 GLY 22 6.295 -7.072 -5.842 141 H HIS 23 HN HIS 23 4.252 -7.826 -6.542 142 HA HIS 23 HA HIS 23 1.874 -6.521 -5.694 143 HB2 HIS 23 HB2 HIS 23 0.655 -8.521 -6.474 144 HB3 HIS 23 HB1 HIS 23 1.798 -7.948 -7.675 145 HD1 HIS 23 HD1 HIS 23 0.528 -11.015 -6.578 146 HD2 HIS 23 HD2 HIS 23 4.392 -9.604 -7.171 147 HE1 HIS 23 HE1 HIS 23 1.977 -13.039 -6.867 148 H GLN 24 HN GLN 24 1.198 -6.345 -3.766 149 HA GLN 24 HA GLN 24 1.693 -8.512 -1.853 150 HB2 GLN 24 HB2 GLN 24 1.607 -5.519 -1.366 151 HB3 GLN 24 HB1 GLN 24 1.694 -6.730 -0.095 152 HG2 GLN 24 HG2 GLN 24 3.776 -6.364 -2.248 153 HG3 GLN 24 HG1 GLN 24 3.880 -5.681 -0.626 154 HE21 GLN 24 1HE2 GLN 24 5.593 -7.676 -2.033 155 HE22 GLN 24 2HE2 GLN 24 5.609 -9.039 -0.985 156 H CYS 25 HN CYS 25 -0.120 -9.358 -0.991 157 HA CYS 25 HA CYS 25 -2.552 -7.823 -1.443 158 HB2 CYS 25 HB2 CYS 25 -2.266 -10.027 -2.730 159 HB3 CYS 25 HB1 CYS 25 -2.447 -10.825 -1.172 160 H PHE 26 HN PHE 26 -4.081 -7.786 0.194 161 HA PHE 26 HA PHE 26 -2.748 -8.092 2.780 162 HB2 PHE 26 HB2 PHE 26 -4.961 -6.222 1.974 163 HB3 PHE 26 HB1 PHE 26 -4.144 -6.243 3.531 164 HD1 PHE 26 HD1 PHE 26 -1.641 -5.806 3.557 165 HD2 PHE 26 HD2 PHE 26 -4.113 -4.980 0.196 166 HE1 PHE 26 HE1 PHE 26 0.071 -4.291 2.675 167 HE2 PHE 26 HE2 PHE 26 -2.405 -3.459 -0.693 168 HZ PHE 26 HZ PHE 26 -0.299 -3.125 0.558 169 HA PRO 27 HA PRO 27 -6.035 -11.154 3.427 170 HB2 PRO 27 HB2 PRO 27 -4.881 -12.384 5.541 171 HB3 PRO 27 HB1 PRO 27 -4.365 -12.689 3.880 172 HG2 PRO 27 HG2 PRO 27 -3.114 -10.953 5.966 173 HG3 PRO 27 HG1 PRO 27 -2.335 -12.023 4.788 174 HD2 PRO 27 HD2 PRO 27 -2.531 -9.311 4.499 175 HD3 PRO 27 HD1 PRO 27 -2.400 -10.434 3.134 176 H ASP 28 HN ASP 28 -4.846 -8.710 5.433 177 HA ASP 28 HA ASP 28 -7.089 -8.976 7.340 178 HB2 ASP 28 HB2 ASP 28 -4.854 -8.855 8.359 179 HB3 ASP 28 HB1 ASP 28 -4.523 -7.369 7.493 180 H1 GLY 1 HN GLY 1 7.097 7.507 3.113 181 HA2 GLY 1 HA2 GLY 1 8.128 5.737 2.034 182 HA3 GLY 1 HA1 GLY 1 9.057 5.419 3.501 183 H PHE 2 HN PHE 2 8.256 3.196 2.657 184 HA PHE 2 HA PHE 2 6.211 2.385 4.494 185 HB2 PHE 2 HB2 PHE 2 4.865 3.071 2.511 186 HB3 PHE 2 HB1 PHE 2 5.802 1.973 1.512 187 HD1 PHE 2 HD1 PHE 2 5.100 -0.231 1.233 188 HD2 PHE 2 HD2 PHE 2 3.536 2.069 4.452 189 HE1 PHE 2 HE1 PHE 2 3.498 -2.025 1.731 190 HE2 PHE 2 HE2 PHE 2 1.932 0.278 4.956 191 HZ PHE 2 HZ PHE 2 1.910 -1.773 3.593 192 H CYS 3 HN CYS 3 6.452 0.170 4.948 193 HA CYS 3 HA CYS 3 8.262 -1.312 3.265 194 HB2 CYS 3 HB2 CYS 3 9.607 -0.105 5.050 195 HB3 CYS 3 HB1 CYS 3 8.745 -1.082 6.235 196 H TRP 4 HN TRP 4 7.816 -3.454 3.250 197 HA TRP 4 HA TRP 4 6.002 -4.625 5.187 198 HB2 TRP 4 HB2 TRP 4 4.634 -3.397 3.414 199 HB3 TRP 4 HB1 TRP 4 5.343 -4.473 2.231 200 HD1 TRP 4 HD1 TRP 4 4.492 -7.040 2.275 201 HE1 TRP 4 HE1 TRP 4 2.277 -8.045 3.123 202 HE3 TRP 4 3HE TRP 4 2.914 -3.169 5.190 203 HZ2 TRP 4 HZ2 TRP 4 0.145 -7.291 4.803 204 HZ3 TRP 4 HZ3 TRP 4 0.775 -3.378 6.377 205 HH2 TRP 4 2HH TRP 4 -0.580 -5.394 6.187 206 H HIS 5 HN HIS 5 6.614 -6.773 5.377 207 HA HIS 5 HA HIS 5 7.813 -8.660 5.152 208 HB2 HIS 5 HB2 HIS 5 7.191 -8.160 2.231 209 HB3 HIS 5 HB1 HIS 5 8.095 -9.578 2.752 210 HD1 HIS 5 HD1 HIS 5 4.917 -9.163 1.599 211 HD2 HIS 5 HD2 HIS 5 6.346 -10.490 5.262 212 HE1 HIS 5 HE1 HIS 5 3.087 -10.560 2.601 213 H HIS 6 HN HIS 6 9.161 -6.242 5.372 214 HA HIS 6 HA HIS 6 11.222 -5.468 5.659 215 HB2 HIS 6 HB2 HIS 6 12.112 -8.152 4.607 216 HB3 HIS 6 HB1 HIS 6 13.234 -6.909 5.155 217 HD1 HIS 6 HD1 HIS 6 13.664 -6.806 7.651 218 HD2 HIS 6 HD2 HIS 6 10.386 -9.150 6.662 219 HE1 HIS 6 HE1 HIS 6 12.947 -7.940 9.792 220 H SER 7 HN SER 7 9.837 -5.720 2.826 221 HA SER 7 HA SER 7 12.040 -4.584 1.319 222 HB2 SER 7 HB2 SER 7 9.205 -5.261 0.534 223 HB3 SER 7 HB1 SER 7 10.505 -4.796 -0.570 224 HG SER 7 HG SER 7 11.619 -6.667 0.528 225 H CYS 8 HN CYS 8 12.275 -2.439 1.545 226 HA CYS 8 HA CYS 8 9.902 -0.896 2.312 227 HB2 CYS 8 HB2 CYS 8 12.767 -0.067 2.716 228 HB3 CYS 8 HB1 CYS 8 11.331 0.602 3.464 229 H VAL 9 HN VAL 9 9.497 1.050 1.294 230 HA VAL 9 HA VAL 9 11.133 1.687 -1.038 231 HB VAL 9 HB VAL 9 9.070 2.657 -2.114 232 HG11 VAL 9 HG11 VAL 9 9.849 0.464 -2.790 233 HG12 VAL 9 HG12 VAL 9 8.086 0.520 -2.817 234 HG13 VAL 9 3HG1 VAL 9 8.922 -0.288 -1.491 235 HG21 VAL 9 HG21 VAL 9 7.698 2.979 -0.114 236 HG22 VAL 9 HG22 VAL 9 7.609 1.233 0.119 237 HG23 VAL 9 HG23 VAL 9 6.849 1.974 -1.289 238 HA PRO 10 HA PRO 10 12.054 5.425 0.951 239 HB2 PRO 10 HB2 PRO 10 12.350 7.117 -1.182 240 HB3 PRO 10 HB1 PRO 10 13.548 5.919 -0.683 241 HG2 PRO 10 HG2 PRO 10 11.467 5.735 -2.826 242 HG3 PRO 10 HG1 PRO 10 13.166 5.230 -2.874 243 HD2 PRO 10 HD2 PRO 10 11.196 3.459 -2.512 244 HD3 PRO 10 HD1 PRO 10 12.750 3.292 -1.669 245 H SER 11 HN SER 11 11.460 7.625 1.324 246 HA SER 11 HA SER 11 8.681 8.060 1.508 247 HB2 SER 11 HB2 SER 11 11.009 9.963 1.927 248 HB3 SER 11 HB1 SER 11 9.351 10.238 2.460 249 HG SER 11 HG SER 11 10.814 7.939 3.289 250 H GLY 12 HN GLY 12 7.375 8.832 -0.022 251 HA2 GLY 12 HA2 GLY 12 6.867 10.621 -1.570 252 HA3 GLY 12 HA1 GLY 12 8.533 10.536 -2.133 253 H THR 13 HN THR 13 7.718 7.440 -1.661 254 HA THR 13 HA THR 13 7.299 6.890 -4.426 255 HB THR 13 HB THR 13 7.052 5.071 -2.002 256 HG1 THR 13 HG1 THR 13 9.099 5.694 -2.035 257 HG21 THR 13 HG21 THR 13 7.441 4.380 -4.927 258 HG22 THR 13 HG22 THR 13 5.960 4.129 -4.005 259 HG23 THR 13 HG23 THR 13 7.420 3.231 -3.587 260 H CYS 14 HN CYS 14 5.370 6.344 -5.448 261 HA CYS 14 HA CYS 14 2.972 6.477 -3.788 262 HB2 CYS 14 HB2 CYS 14 3.291 7.581 -6.589 263 HB3 CYS 14 HB1 CYS 14 1.827 7.619 -5.609 264 H ALA 15 HN ALA 15 1.237 5.162 -4.428 265 HA ALA 15 HA ALA 15 1.800 3.194 -6.499 266 HB1 ALA 15 HB1 ALA 15 1.132 1.356 -5.008 267 HB2 ALA 15 HB2 ALA 15 0.991 2.500 -3.671 268 HB3 ALA 15 HB3 ALA 15 2.565 2.187 -4.397 269 H ASP 16 HN ASP 16 -0.140 2.049 -7.149 270 HA ASP 16 HA ASP 16 -2.463 3.823 -7.018 271 HB2 ASP 16 HB2 ASP 16 -1.599 3.122 -9.240 272 HB3 ASP 16 HB1 ASP 16 -1.923 1.450 -8.814 273 H PHE 17 HN PHE 17 -4.114 3.353 -5.721 274 HA PHE 17 HA PHE 17 -4.569 0.550 -4.996 275 HB2 PHE 17 HB2 PHE 17 -4.884 3.027 -3.292 276 HB3 PHE 17 HB1 PHE 17 -5.471 1.436 -2.842 277 HD1 PHE 17 HD1 PHE 17 -3.892 -0.341 -2.306 278 HD2 PHE 17 HD2 PHE 17 -2.639 3.621 -3.094 279 HE1 PHE 17 HE1 PHE 17 -1.742 -0.829 -1.236 280 HE2 PHE 17 HE2 PHE 17 -0.462 3.157 -2.027 281 HZ PHE 17 HZ PHE 17 -0.018 0.922 -1.094 282 HA PRO 18 HA PRO 18 -8.785 1.564 -6.206 283 HB2 PRO 18 HB2 PRO 18 -9.862 -0.239 -4.177 284 HB3 PRO 18 HB1 PRO 18 -9.857 -0.446 -5.927 285 HG2 PRO 18 HG2 PRO 18 -8.367 -1.988 -4.271 286 HG3 PRO 18 HG1 PRO 18 -7.859 -1.582 -5.919 287 HD2 PRO 18 HD2 PRO 18 -6.989 -0.374 -3.319 288 HD3 PRO 18 HD1 PRO 18 -6.023 -0.814 -4.737 289 H TRP 19 HN TRP 19 -10.834 2.313 -5.189 290 HA TRP 19 HA TRP 19 -10.435 4.273 -3.196 291 HB2 TRP 19 HB2 TRP 19 -12.171 4.263 -5.073 292 HB3 TRP 19 HB1 TRP 19 -13.055 3.058 -4.152 293 HD1 TRP 19 HD1 TRP 19 -12.034 6.770 -4.008 294 HE1 TRP 19 HE1 TRP 19 -13.691 8.005 -2.468 295 HE3 TRP 19 3HE TRP 19 -14.693 2.769 -2.310 296 HZ2 TRP 19 HZ2 TRP 19 -15.844 7.367 -0.775 297 HZ3 TRP 19 HZ3 TRP 19 -16.547 3.162 -0.739 298 HH2 TRP 19 2HH TRP 19 -17.104 5.419 0.011 299 HA PRO 20 HA PRO 20 -11.682 5.212 -1.521 300 HB2 PRO 20 HB2 PRO 20 -11.514 5.764 1.063 301 HB3 PRO 20 HB1 PRO 20 -12.967 5.043 0.364 302 HG2 PRO 20 HG2 PRO 20 -10.809 3.764 1.973 303 HG3 PRO 20 HG1 PRO 20 -12.549 3.446 1.973 304 HD2 PRO 20 HD2 PRO 20 -10.599 1.963 0.607 305 HD3 PRO 20 HD1 PRO 20 -12.347 1.885 0.335 306 H LEU 21 HN LEU 21 -8.945 3.509 -1.394 307 HA LEU 21 HA LEU 21 -7.302 5.579 -0.210 308 HB2 LEU 21 HB2 LEU 21 -6.584 2.997 -1.576 309 HB3 LEU 21 HB1 LEU 21 -5.369 4.196 -1.217 310 HG LEU 21 HG LEU 21 -6.034 3.967 1.205 311 HD11 LEU 21 HD11 LEU 21 -7.143 1.925 1.878 312 HD12 LEU 21 HD12 LEU 21 -7.353 1.492 0.182 313 HD13 LEU 21 HD13 LEU 21 -8.207 2.894 0.845 314 HD21 LEU 21 HD21 LEU 21 -4.887 1.578 -0.202 315 HD22 LEU 21 HD22 LEU 21 -4.737 1.927 1.519 316 HD23 LEU 21 HD23 LEU 21 -4.007 3.009 0.334 317 H GLY 22 HN GLY 22 -7.684 4.148 -3.410 318 HA2 GLY 22 HA2 GLY 22 -7.535 5.073 -5.491 319 HA3 GLY 22 HA1 GLY 22 -7.650 6.657 -4.737 320 H HIS 23 HN HIS 23 -5.960 7.871 -5.175 321 HA HIS 23 HA HIS 23 -3.464 6.537 -5.783 322 HB2 HIS 23 HB2 HIS 23 -2.624 8.773 -6.560 323 HB3 HIS 23 HB1 HIS 23 -4.065 8.258 -7.408 324 HD1 HIS 23 HD1 HIS 23 -2.779 10.908 -5.066 325 HD2 HIS 23 HD2 HIS 23 -6.291 9.891 -7.042 326 HE1 HIS 23 HE1 HIS 23 -4.266 12.920 -4.913 327 H GLN 24 HN GLN 24 -2.020 6.170 -4.256 328 HA GLN 24 HA GLN 24 -2.008 8.013 -1.990 329 HB2 GLN 24 HB2 GLN 24 -1.956 5.013 -1.873 330 HB3 GLN 24 HB1 GLN 24 -1.430 6.031 -0.548 331 HG2 GLN 24 HG2 GLN 24 -4.166 6.109 -1.782 332 HG3 GLN 24 HG1 GLN 24 -3.736 5.269 -0.287 333 HE21 GLN 24 1HE2 GLN 24 -5.544 7.553 -0.839 334 HE22 GLN 24 2HE2 GLN 24 -5.004 8.785 0.249 335 H CYS 25 HN CYS 25 -0.167 8.590 -1.187 336 HA CYS 25 HA CYS 25 2.207 7.377 -2.329 337 HB2 CYS 25 HB2 CYS 25 1.787 10.238 -1.441 338 HB3 CYS 25 HB1 CYS 25 3.317 9.563 -1.992 339 H PHE 26 HN PHE 26 4.028 7.308 -0.927 340 HA PHE 26 HA PHE 26 3.214 7.003 1.866 341 HB2 PHE 26 HB2 PHE 26 5.657 5.831 0.514 342 HB3 PHE 26 HB1 PHE 26 4.975 5.374 2.072 343 HD1 PHE 26 HD1 PHE 26 2.501 4.469 1.976 344 HD2 PHE 26 HD2 PHE 26 5.163 4.563 -1.335 345 HE1 PHE 26 HE1 PHE 26 1.164 2.740 0.854 346 HE2 PHE 26 HE2 PHE 26 3.836 2.840 -2.461 347 HZ PHE 26 HZ PHE 26 1.835 1.930 -1.377 348 HA PRO 27 HA PRO 27 5.736 10.800 1.808 349 HB2 PRO 27 HB2 PRO 27 4.780 11.847 4.119 350 HB3 PRO 27 HB1 PRO 27 3.897 11.940 2.592 351 HG2 PRO 27 HG2 PRO 27 3.524 10.058 4.882 352 HG3 PRO 27 HG1 PRO 27 2.297 10.881 3.904 353 HD2 PRO 27 HD2 PRO 27 3.012 8.287 3.552 354 HD3 PRO 27 HD1 PRO 27 2.417 9.305 2.228 355 H ASP 28 HN ASP 28 5.482 8.425 4.286 356 HA ASP 28 HA ASP 28 8.054 9.285 5.447 357 HB2 ASP 28 HB2 ASP 28 5.851 7.575 6.627 358 HB3 ASP 28 HB1 ASP 28 7.385 7.900 7.416 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 -5.765 -7.632 4.411 2 HA2 GLY 1 HA2 GLY 1 -7.075 -5.852 3.620 3 HA3 GLY 1 HA1 GLY 1 -7.606 -5.547 5.276 4 H PHE 2 HN PHE 2 -6.979 -3.304 4.220 5 HA PHE 2 HA PHE 2 -4.454 -2.648 5.418 6 HB2 PHE 2 HB2 PHE 2 -3.762 -3.330 3.156 7 HB3 PHE 2 HB1 PHE 2 -4.892 -2.182 2.460 8 HD1 PHE 2 HD1 PHE 2 -3.912 -0.312 1.593 9 HD2 PHE 2 HD2 PHE 2 -2.181 -2.106 5.039 10 HE1 PHE 2 HE1 PHE 2 -2.155 1.408 1.600 11 HE2 PHE 2 HE2 PHE 2 -0.423 -0.390 5.056 12 HZ PHE 2 HZ PHE 2 -0.407 1.371 3.334 13 H CYS 3 HN CYS 3 -4.508 -0.614 6.208 14 HA CYS 3 HA CYS 3 -6.480 1.202 5.119 15 HB2 CYS 3 HB2 CYS 3 -7.450 -0.019 7.112 16 HB3 CYS 3 HB1 CYS 3 -6.171 0.701 8.087 17 H TRP 4 HN TRP 4 -5.567 3.026 4.710 18 HA TRP 4 HA TRP 4 -3.351 4.031 6.322 19 HB2 TRP 4 HB2 TRP 4 -2.361 2.778 4.371 20 HB3 TRP 4 HB1 TRP 4 -3.274 3.812 3.285 21 HD1 TRP 4 HD1 TRP 4 -2.410 6.369 3.013 22 HE1 TRP 4 HE1 TRP 4 -0.136 7.447 3.459 23 HE3 TRP 4 3HE TRP 4 -0.316 2.676 5.869 24 HZ2 TRP 4 HZ2 TRP 4 2.242 6.828 4.838 25 HZ3 TRP 4 HZ3 TRP 4 1.977 2.999 6.702 26 HH2 TRP 4 2HH TRP 4 3.231 5.030 6.196 27 H HIS 5 HN HIS 5 -3.421 6.296 6.425 28 HA HIS 5 HA HIS 5 -4.296 8.366 6.335 29 HB2 HIS 5 HB2 HIS 5 -3.558 8.143 3.928 30 HB3 HIS 5 HB1 HIS 5 -5.161 7.556 3.523 31 HD1 HIS 5 HD1 HIS 5 -6.555 9.358 2.480 32 HD2 HIS 5 HD2 HIS 5 -3.792 10.833 5.183 33 HE1 HIS 5 HE1 HIS 5 -6.863 11.842 2.463 34 H HIS 6 HN HIS 6 -5.799 6.130 7.339 35 HA HIS 6 HA HIS 6 -7.738 5.671 8.330 36 HB2 HIS 6 HB2 HIS 6 -8.441 8.494 7.526 37 HB3 HIS 6 HB1 HIS 6 -9.514 7.471 8.469 38 HD1 HIS 6 HD1 HIS 6 -9.233 7.703 10.962 39 HD2 HIS 6 HD2 HIS 6 -5.850 8.885 8.870 40 HE1 HIS 6 HE1 HIS 6 -7.650 8.649 12.678 41 H SER 7 HN SER 7 -7.341 5.412 5.275 42 HA SER 7 HA SER 7 -10.151 4.917 4.662 43 HB2 SER 7 HB2 SER 7 -7.767 5.139 2.825 44 HB3 SER 7 HB1 SER 7 -9.465 5.036 2.335 45 HG SER 7 HG SER 7 -8.954 7.003 4.125 46 H CYS 8 HN CYS 8 -10.665 2.820 4.856 47 HA CYS 8 HA CYS 8 -8.447 0.906 4.945 48 HB2 CYS 8 HB2 CYS 8 -11.217 0.598 6.100 49 HB3 CYS 8 HB1 CYS 8 -9.824 -0.432 6.380 50 H VAL 9 HN VAL 9 -8.398 -0.759 3.530 51 HA VAL 9 HA VAL 9 -10.734 -1.115 1.834 52 HB VAL 9 HB VAL 9 -9.216 -2.193 0.146 53 HG11 VAL 9 HG11 VAL 9 -9.865 0.089 -0.161 54 HG12 VAL 9 HG12 VAL 9 -8.169 -0.088 -0.631 55 HG13 VAL 9 3HG1 VAL 9 -8.593 0.623 0.931 56 HG21 VAL 9 HG21 VAL 9 -7.010 -1.162 1.935 57 HG22 VAL 9 HG22 VAL 9 -6.784 -1.821 0.316 58 HG23 VAL 9 HG23 VAL 9 -7.381 -2.856 1.615 59 HA PRO 10 HA PRO 10 -11.549 -5.025 3.579 60 HB2 PRO 10 HB2 PRO 10 -12.061 -6.067 0.863 61 HB3 PRO 10 HB1 PRO 10 -13.155 -5.967 2.249 62 HG2 PRO 10 HG2 PRO 10 -13.458 -4.315 0.195 63 HG3 PRO 10 HG1 PRO 10 -13.636 -3.717 1.853 64 HD2 PRO 10 HD2 PRO 10 -11.301 -3.471 0.003 65 HD3 PRO 10 HD1 PRO 10 -12.069 -2.242 1.035 66 H SER 11 HN SER 11 -10.943 -7.174 3.772 67 HA SER 11 HA SER 11 -8.243 -7.758 3.277 68 HB2 SER 11 HB2 SER 11 -10.513 -9.587 4.097 69 HB3 SER 11 HB1 SER 11 -8.789 -9.904 4.313 70 HG SER 11 HG SER 11 -9.665 -7.491 5.347 71 H GLY 12 HN GLY 12 -7.323 -8.626 1.502 72 HA2 GLY 12 HA2 GLY 12 -7.418 -10.387 -0.194 73 HA3 GLY 12 HA1 GLY 12 -9.102 -9.941 -0.444 74 H THR 13 HN THR 13 -7.834 -7.067 0.041 75 HA THR 13 HA THR 13 -7.669 -6.374 -2.703 76 HB THR 13 HB THR 13 -6.776 -4.790 -0.268 77 HG1 THR 13 HG1 THR 13 -8.903 -5.100 0.040 78 HG21 THR 13 HG21 THR 13 -7.143 -2.816 -1.711 79 HG22 THR 13 HG22 THR 13 -7.528 -3.883 -3.062 80 HG23 THR 13 HG23 THR 13 -5.904 -3.879 -2.379 81 H CYS 14 HN CYS 14 -5.930 -6.565 -4.009 82 HA CYS 14 HA CYS 14 -3.313 -6.851 -2.734 83 HB2 CYS 14 HB2 CYS 14 -4.070 -7.788 -5.516 84 HB3 CYS 14 HB1 CYS 14 -2.596 -8.163 -4.643 85 H ALA 15 HN ALA 15 -1.497 -5.672 -3.749 86 HA ALA 15 HA ALA 15 -2.320 -3.579 -5.594 87 HB1 ALA 15 HB1 ALA 15 -0.952 -3.029 -2.966 88 HB2 ALA 15 HB2 ALA 15 -2.628 -2.644 -3.356 89 HB3 ALA 15 HB3 ALA 15 -1.315 -1.841 -4.216 90 H ASP 16 HN ASP 16 -0.550 -2.530 -6.627 91 HA ASP 16 HA ASP 16 1.786 -4.281 -6.794 92 HB2 ASP 16 HB2 ASP 16 2.155 -3.532 -9.023 93 HB3 ASP 16 HB1 ASP 16 0.420 -3.752 -8.908 94 H PHE 17 HN PHE 17 3.784 -3.562 -6.309 95 HA PHE 17 HA PHE 17 4.149 -0.727 -5.742 96 HB2 PHE 17 HB2 PHE 17 4.957 -3.065 -3.999 97 HB3 PHE 17 HB1 PHE 17 5.530 -1.424 -3.768 98 HD1 PHE 17 HD1 PHE 17 3.971 0.324 -3.030 99 HD2 PHE 17 HD2 PHE 17 2.808 -3.765 -3.257 100 HE1 PHE 17 HE1 PHE 17 2.086 0.782 -1.540 101 HE2 PHE 17 HE2 PHE 17 0.913 -3.311 -1.768 102 HZ PHE 17 HZ PHE 17 0.548 -1.032 -0.906 103 HA PRO 18 HA PRO 18 8.062 -1.411 -7.841 104 HB2 PRO 18 HB2 PRO 18 9.473 0.344 -5.974 105 HB3 PRO 18 HB1 PRO 18 9.084 0.626 -7.670 106 HG2 PRO 18 HG2 PRO 18 7.904 1.996 -5.676 107 HG3 PRO 18 HG1 PRO 18 7.064 1.592 -7.184 108 HD2 PRO 18 HD2 PRO 18 6.891 0.254 -4.510 109 HD3 PRO 18 HD1 PRO 18 5.596 0.674 -5.644 110 H TRP 19 HN TRP 19 10.372 -1.965 -7.419 111 HA TRP 19 HA TRP 19 10.700 -4.135 -5.681 112 HB2 TRP 19 HB2 TRP 19 12.010 -3.726 -7.779 113 HB3 TRP 19 HB1 TRP 19 12.806 -2.369 -6.997 114 HD1 TRP 19 HD1 TRP 19 12.829 -6.169 -7.177 115 HE1 TRP 19 HE1 TRP 19 14.919 -7.050 -5.960 116 HE3 TRP 19 3HE TRP 19 14.440 -1.815 -5.095 117 HZ2 TRP 19 HZ2 TRP 19 16.969 -6.027 -4.319 118 HZ3 TRP 19 HZ3 TRP 19 16.447 -1.842 -3.713 119 HH2 TRP 19 2HH TRP 19 17.694 -3.896 -3.331 120 HA PRO 20 HA PRO 20 12.024 -5.114 -4.410 121 HB2 PRO 20 HB2 PRO 20 12.661 -5.978 -1.973 122 HB3 PRO 20 HB1 PRO 20 13.825 -5.107 -2.976 123 HG2 PRO 20 HG2 PRO 20 12.334 -4.182 -0.586 124 HG3 PRO 20 HG1 PRO 20 13.904 -3.652 -1.207 125 HD2 PRO 20 HD2 PRO 20 11.352 -2.400 -1.588 126 HD3 PRO 20 HD1 PRO 20 12.916 -1.906 -2.257 127 H LEU 21 HN LEU 21 9.536 -3.504 -3.277 128 HA LEU 21 HA LEU 21 8.377 -5.416 -1.478 129 HB2 LEU 21 HB2 LEU 21 8.057 -2.988 -1.224 130 HB3 LEU 21 HB1 LEU 21 7.176 -2.946 -2.734 131 HG LEU 21 HG LEU 21 5.329 -4.176 -1.735 132 HD11 LEU 21 HD11 LEU 21 5.390 -4.804 0.619 133 HD12 LEU 21 HD12 LEU 21 7.055 -4.254 0.732 134 HD13 LEU 21 HD13 LEU 21 6.648 -5.646 -0.281 135 HD21 LEU 21 HD21 LEU 21 6.323 -1.996 0.091 136 HD22 LEU 21 HD22 LEU 21 4.665 -2.586 -0.019 137 HD23 LEU 21 HD23 LEU 21 5.399 -1.762 -1.393 138 H GLY 22 HN GLY 22 7.746 -4.319 -4.779 139 HA2 GLY 22 HA2 GLY 22 7.006 -5.542 -6.584 140 HA3 GLY 22 HA1 GLY 22 7.089 -6.980 -5.583 141 H HIS 23 HN HIS 23 5.169 -7.873 -6.106 142 HA HIS 23 HA HIS 23 2.774 -6.233 -5.829 143 HB2 HIS 23 HB2 HIS 23 3.225 -8.926 -7.123 144 HB3 HIS 23 HB1 HIS 23 1.616 -8.300 -6.796 145 HD1 HIS 23 HD1 HIS 23 0.609 -7.121 -8.751 146 HD2 HIS 23 HD2 HIS 23 4.755 -6.937 -8.772 147 HE1 HIS 23 HE1 HIS 23 1.240 -5.927 -10.868 148 H GLN 24 HN GLN 24 1.943 -6.189 -3.933 149 HA GLN 24 HA GLN 24 2.155 -8.579 -2.256 150 HB2 GLN 24 HB2 GLN 24 2.104 -5.678 -1.451 151 HB3 GLN 24 HB1 GLN 24 1.959 -7.016 -0.321 152 HG2 GLN 24 HG2 GLN 24 4.302 -6.548 -2.139 153 HG3 GLN 24 HG1 GLN 24 4.217 -6.072 -0.445 154 HE21 GLN 24 1HE2 GLN 24 6.004 -7.899 -1.837 155 HE22 GLN 24 2HE2 GLN 24 5.896 -9.403 -1.011 156 H CYS 25 HN CYS 25 0.366 -8.994 -0.885 157 HA CYS 25 HA CYS 25 -2.011 -7.582 -1.687 158 HB2 CYS 25 HB2 CYS 25 -1.821 -9.798 -2.866 159 HB3 CYS 25 HB1 CYS 25 -1.889 -10.575 -1.287 160 H PHE 26 HN PHE 26 -3.615 -7.520 -0.054 161 HA PHE 26 HA PHE 26 -2.387 -7.844 2.577 162 HB2 PHE 26 HB2 PHE 26 -4.636 -6.002 1.753 163 HB3 PHE 26 HB1 PHE 26 -3.812 -6.023 3.305 164 HD1 PHE 26 HD1 PHE 26 -1.354 -5.394 3.361 165 HD2 PHE 26 HD2 PHE 26 -3.830 -4.709 -0.029 166 HE1 PHE 26 HE1 PHE 26 0.257 -3.738 2.521 167 HE2 PHE 26 HE2 PHE 26 -2.226 -3.055 -0.876 168 HZ PHE 26 HZ PHE 26 -0.173 -2.568 0.402 169 HA PRO 27 HA PRO 27 -5.778 -10.920 2.679 170 HB2 PRO 27 HB2 PRO 27 -4.642 -12.556 4.527 171 HB3 PRO 27 HB1 PRO 27 -4.214 -12.622 2.815 172 HG2 PRO 27 HG2 PRO 27 -2.753 -11.359 5.087 173 HG3 PRO 27 HG1 PRO 27 -2.107 -12.238 3.693 174 HD2 PRO 27 HD2 PRO 27 -2.140 -9.501 3.913 175 HD3 PRO 27 HD1 PRO 27 -2.118 -10.367 2.366 176 H ASP 28 HN ASP 28 -4.223 -9.091 5.094 177 HA ASP 28 HA ASP 28 -6.343 -9.464 7.074 178 HB2 ASP 28 HB2 ASP 28 -4.057 -9.519 7.912 179 HB3 ASP 28 HB1 ASP 28 -3.691 -7.992 7.132 180 H1 GLY 1 HN GLY 1 7.101 7.406 2.687 181 HA2 GLY 1 HA2 GLY 1 7.866 5.552 1.479 182 HA3 GLY 1 HA1 GLY 1 9.044 5.238 2.753 183 H PHE 2 HN PHE 2 7.945 3.023 2.117 184 HA PHE 2 HA PHE 2 5.992 2.485 4.192 185 HB2 PHE 2 HB2 PHE 2 4.607 3.087 2.258 186 HB3 PHE 2 HB1 PHE 2 5.476 1.937 1.258 187 HD1 PHE 2 HD1 PHE 2 4.487 -0.095 0.872 188 HD2 PHE 2 HD2 PHE 2 3.504 2.024 4.428 189 HE1 PHE 2 HE1 PHE 2 2.833 -1.819 1.435 190 HE2 PHE 2 HE2 PHE 2 1.850 0.299 5.000 191 HZ PHE 2 HZ PHE 2 1.511 -1.625 3.502 192 H CYS 3 HN CYS 3 6.156 0.375 4.912 193 HA CYS 3 HA CYS 3 7.828 -1.406 3.349 194 HB2 CYS 3 HB2 CYS 3 9.221 -0.206 5.083 195 HB3 CYS 3 HB1 CYS 3 8.214 -0.966 6.312 196 H TRP 4 HN TRP 4 6.966 -3.333 3.197 197 HA TRP 4 HA TRP 4 5.168 -4.305 5.257 198 HB2 TRP 4 HB2 TRP 4 3.760 -3.129 3.551 199 HB3 TRP 4 HB1 TRP 4 4.440 -4.156 2.305 200 HD1 TRP 4 HD1 TRP 4 3.488 -6.654 2.132 201 HE1 TRP 4 HE1 TRP 4 1.396 -7.785 3.097 202 HE3 TRP 4 3HE TRP 4 2.217 -3.141 5.631 203 HZ2 TRP 4 HZ2 TRP 4 -0.555 -7.254 5.079 204 HZ3 TRP 4 HZ3 TRP 4 0.217 -3.530 7.014 205 HH2 TRP 4 2HH TRP 4 -1.136 -5.543 6.742 206 H HIS 5 HN HIS 5 5.300 -6.525 5.396 207 HA HIS 5 HA HIS 5 6.110 -8.631 5.193 208 HB2 HIS 5 HB2 HIS 5 4.949 -8.370 2.920 209 HB3 HIS 5 HB1 HIS 5 6.533 -8.024 2.245 210 HD1 HIS 5 HD1 HIS 5 7.589 -10.070 1.220 211 HD2 HIS 5 HD2 HIS 5 5.035 -10.997 4.350 212 HE1 HIS 5 HE1 HIS 5 7.564 -12.583 1.379 213 H HIS 6 HN HIS 6 7.858 -6.295 5.634 214 HA HIS 6 HA HIS 6 9.962 -5.815 6.164 215 HB2 HIS 6 HB2 HIS 6 10.635 -8.634 5.285 216 HB3 HIS 6 HB1 HIS 6 11.806 -7.533 5.998 217 HD1 HIS 6 HD1 HIS 6 11.751 -7.301 8.581 218 HD2 HIS 6 HD2 HIS 6 8.640 -9.572 7.030 219 HE1 HIS 6 HE1 HIS 6 10.632 -8.386 10.544 220 H SER 7 HN SER 7 8.848 -5.932 3.229 221 HA SER 7 HA SER 7 11.353 -5.175 1.948 222 HB2 SER 7 HB2 SER 7 8.598 -5.597 0.778 223 HB3 SER 7 HB1 SER 7 10.092 -5.335 -0.130 224 HG SER 7 HG SER 7 10.420 -7.359 1.587 225 H CYS 8 HN CYS 8 11.800 -3.047 2.121 226 HA CYS 8 HA CYS 8 9.594 -1.199 2.624 227 HB2 CYS 8 HB2 CYS 8 12.541 -0.756 3.061 228 HB3 CYS 8 HB1 CYS 8 11.216 0.219 3.670 229 H VAL 9 HN VAL 9 9.133 0.382 1.218 230 HA VAL 9 HA VAL 9 10.945 0.792 -1.036 231 HB VAL 9 HB VAL 9 8.984 1.810 -2.242 232 HG11 VAL 9 HG11 VAL 9 8.650 -1.024 -1.322 233 HG12 VAL 9 HG12 VAL 9 9.600 -0.469 -2.704 234 HG13 VAL 9 3HG1 VAL 9 7.840 -0.319 -2.717 235 HG21 VAL 9 HG21 VAL 9 6.705 1.366 -1.409 236 HG22 VAL 9 HG22 VAL 9 7.604 2.424 -0.319 237 HG23 VAL 9 HG23 VAL 9 7.388 0.722 0.085 238 HA PRO 10 HA PRO 10 12.147 4.620 0.529 239 HB2 PRO 10 HB2 PRO 10 12.556 6.063 -1.752 240 HB3 PRO 10 HB1 PRO 10 13.650 4.804 -1.174 241 HG2 PRO 10 HG2 PRO 10 11.515 4.644 -3.261 242 HG3 PRO 10 HG1 PRO 10 13.155 3.970 -3.283 243 HD2 PRO 10 HD2 PRO 10 11.007 2.457 -2.739 244 HD3 PRO 10 HD1 PRO 10 12.571 2.180 -1.944 245 H SER 11 HN SER 11 11.707 6.830 0.768 246 HA SER 11 HA SER 11 9.045 7.598 0.941 247 HB2 SER 11 HB2 SER 11 11.497 9.360 0.793 248 HB3 SER 11 HB1 SER 11 9.972 9.709 1.614 249 HG SER 11 HG SER 11 11.464 8.997 3.129 250 H GLY 12 HN GLY 12 7.739 8.632 -0.515 251 HA2 GLY 12 HA2 GLY 12 7.403 10.121 -2.336 252 HA3 GLY 12 HA1 GLY 12 8.993 9.681 -2.946 253 H THR 13 HN THR 13 7.755 6.821 -2.002 254 HA THR 13 HA THR 13 7.054 6.016 -4.620 255 HB THR 13 HB THR 13 6.587 4.642 -1.955 256 HG1 THR 13 HG1 THR 13 8.725 4.678 -2.186 257 HG21 THR 13 HG21 THR 13 6.395 2.571 -3.282 258 HG22 THR 13 HG22 THR 13 6.512 3.519 -4.764 259 HG23 THR 13 HG23 THR 13 5.122 3.720 -3.697 260 H CYS 14 HN CYS 14 5.192 6.390 -5.625 261 HA CYS 14 HA CYS 14 2.789 6.876 -4.018 262 HB2 CYS 14 HB2 CYS 14 3.328 7.837 -6.835 263 HB3 CYS 14 HB1 CYS 14 2.001 8.300 -5.784 264 H ALA 15 HN ALA 15 1.019 5.593 -4.461 265 HA ALA 15 HA ALA 15 1.196 3.788 -6.751 266 HB1 ALA 15 HB1 ALA 15 2.135 2.573 -4.833 267 HB2 ALA 15 HB2 ALA 15 0.609 1.866 -5.364 268 HB3 ALA 15 HB3 ALA 15 0.656 2.880 -3.923 269 H ASP 16 HN ASP 16 -0.815 2.896 -7.364 270 HA ASP 16 HA ASP 16 -3.071 4.595 -6.595 271 HB2 ASP 16 HB2 ASP 16 -2.553 4.526 -8.992 272 HB3 ASP 16 HB1 ASP 16 -2.699 2.773 -8.985 273 H PHE 17 HN PHE 17 -4.495 3.777 -5.228 274 HA PHE 17 HA PHE 17 -4.791 0.867 -5.072 275 HB2 PHE 17 HB2 PHE 17 -5.258 3.005 -2.983 276 HB3 PHE 17 HB1 PHE 17 -5.605 1.300 -2.768 277 HD1 PHE 17 HD1 PHE 17 -3.837 -0.282 -2.423 278 HD2 PHE 17 HD2 PHE 17 -2.985 3.852 -2.955 279 HE1 PHE 17 HE1 PHE 17 -1.601 -0.635 -1.526 280 HE2 PHE 17 HE2 PHE 17 -0.729 3.507 -2.058 281 HZ PHE 17 HZ PHE 17 -0.028 1.260 -1.340 282 HA PRO 18 HA PRO 18 -9.074 1.580 -6.130 283 HB2 PRO 18 HB2 PRO 18 -10.160 -0.311 -4.251 284 HB3 PRO 18 HB1 PRO 18 -9.920 -0.518 -5.984 285 HG2 PRO 18 HG2 PRO 18 -8.517 -1.851 -3.994 286 HG3 PRO 18 HG1 PRO 18 -8.015 -1.694 -5.680 287 HD2 PRO 18 HD2 PRO 18 -7.020 -0.271 -3.278 288 HD3 PRO 18 HD1 PRO 18 -6.205 -0.653 -4.796 289 H TRP 19 HN TRP 19 -11.191 2.169 -5.220 290 HA TRP 19 HA TRP 19 -11.100 4.127 -3.185 291 HB2 TRP 19 HB2 TRP 19 -12.720 4.003 -5.115 292 HB3 TRP 19 HB1 TRP 19 -13.477 2.622 -4.347 293 HD1 TRP 19 HD1 TRP 19 -13.198 6.420 -4.120 294 HE1 TRP 19 HE1 TRP 19 -15.095 7.300 -2.627 295 HE3 TRP 19 3HE TRP 19 -15.002 1.967 -2.380 296 HZ2 TRP 19 HZ2 TRP 19 -17.089 6.256 -0.943 297 HZ3 TRP 19 HZ3 TRP 19 -16.898 1.995 -0.831 298 HH2 TRP 19 2HH TRP 19 -17.927 4.097 -0.124 299 HA PRO 20 HA PRO 20 -12.282 4.962 -1.533 300 HB2 PRO 20 HB2 PRO 20 -12.490 5.429 1.050 301 HB3 PRO 20 HB1 PRO 20 -13.797 4.589 0.201 302 HG2 PRO 20 HG2 PRO 20 -11.658 3.468 1.967 303 HG3 PRO 20 HG1 PRO 20 -13.369 3.029 1.875 304 HD2 PRO 20 HD2 PRO 20 -11.260 1.694 0.604 305 HD3 PRO 20 HD1 PRO 20 -12.982 1.516 0.218 306 H LEU 21 HN LEU 21 -9.691 3.225 -1.233 307 HA LEU 21 HA LEU 21 -8.077 4.805 0.550 308 HB2 LEU 21 HB2 LEU 21 -7.902 2.298 0.122 309 HB3 LEU 21 HB1 LEU 21 -7.194 2.696 -1.421 310 HG LEU 21 HG LEU 21 -5.243 3.663 -0.322 311 HD11 LEU 21 HD11 LEU 21 -6.759 3.019 2.202 312 HD12 LEU 21 HD12 LEU 21 -6.280 4.627 1.615 313 HD13 LEU 21 HD13 LEU 21 -5.060 3.472 2.125 314 HD21 LEU 21 HD21 LEU 21 -6.025 1.042 0.910 315 HD22 LEU 21 HD22 LEU 21 -4.394 1.698 0.791 316 HD23 LEU 21 HD23 LEU 21 -5.270 1.242 -0.677 317 H GLY 22 HN GLY 22 -8.143 4.081 -2.919 318 HA2 GLY 22 HA2 GLY 22 -7.961 5.551 -4.701 319 HA3 GLY 22 HA1 GLY 22 -7.757 6.859 -3.543 320 H HIS 23 HN HIS 23 -6.127 7.520 -5.180 321 HA HIS 23 HA HIS 23 -3.730 5.933 -5.182 322 HB2 HIS 23 HB2 HIS 23 -2.730 7.646 -6.629 323 HB3 HIS 23 HB1 HIS 23 -4.331 7.252 -7.227 324 HD1 HIS 23 HD1 HIS 23 -2.241 10.066 -6.101 325 HD2 HIS 23 HD2 HIS 23 -6.281 9.332 -6.733 326 HE1 HIS 23 HE1 HIS 23 -3.354 12.322 -6.173 327 H GLN 24 HN GLN 24 -2.009 6.169 -3.915 328 HA GLN 24 HA GLN 24 -2.007 8.427 -2.077 329 HB2 GLN 24 HB2 GLN 24 -1.769 5.531 -1.316 330 HB3 GLN 24 HB1 GLN 24 -1.274 6.849 -0.267 331 HG2 GLN 24 HG2 GLN 24 -3.536 7.716 -0.301 332 HG3 GLN 24 HG1 GLN 24 -4.043 6.365 -1.323 333 HE21 GLN 24 1HE2 GLN 24 -4.882 7.211 1.276 334 HE22 GLN 24 2HE2 GLN 24 -4.650 5.851 2.334 335 H CYS 25 HN CYS 25 0.008 8.825 -1.133 336 HA CYS 25 HA CYS 25 2.214 7.443 -2.370 337 HB2 CYS 25 HB2 CYS 25 1.689 9.550 -3.661 338 HB3 CYS 25 HB1 CYS 25 2.067 10.459 -2.205 339 H PHE 26 HN PHE 26 3.976 7.294 -1.117 340 HA PHE 26 HA PHE 26 3.379 7.732 1.712 341 HB2 PHE 26 HB2 PHE 26 5.396 5.902 0.403 342 HB3 PHE 26 HB1 PHE 26 4.997 5.933 2.114 343 HD1 PHE 26 HD1 PHE 26 2.630 5.321 2.797 344 HD2 PHE 26 HD2 PHE 26 4.166 4.595 -1.101 345 HE1 PHE 26 HE1 PHE 26 0.853 3.669 2.407 346 HE2 PHE 26 HE2 PHE 26 2.393 2.945 -1.501 347 HZ PHE 26 HZ PHE 26 0.728 2.479 0.261 348 HA PRO 27 HA PRO 27 6.568 10.975 1.200 349 HB2 PRO 27 HB2 PRO 27 5.657 11.825 3.858 350 HB3 PRO 27 HB1 PRO 27 5.670 12.731 2.345 351 HG2 PRO 27 HG2 PRO 27 3.374 11.882 3.459 352 HG3 PRO 27 HG1 PRO 27 3.594 11.950 1.703 353 HD2 PRO 27 HD2 PRO 27 3.749 9.592 3.539 354 HD3 PRO 27 HD1 PRO 27 2.984 9.733 1.940 355 H ASP 28 HN ASP 28 6.021 8.812 3.867 356 HA ASP 28 HA ASP 28 8.791 9.199 4.793 357 HB2 ASP 28 HB2 ASP 28 6.486 7.734 6.120 358 HB3 ASP 28 HB1 ASP 28 8.121 7.787 6.746 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 -5.823 -7.487 4.596 2 HA2 GLY 1 HA2 GLY 1 -7.124 -5.647 3.838 3 HA3 GLY 1 HA1 GLY 1 -7.658 -5.401 5.496 4 H PHE 2 HN PHE 2 -6.898 -3.212 4.352 5 HA PHE 2 HA PHE 2 -4.414 -2.511 5.637 6 HB2 PHE 2 HB2 PHE 2 -3.668 -3.235 3.395 7 HB3 PHE 2 HB1 PHE 2 -4.833 -2.151 2.655 8 HD1 PHE 2 HD1 PHE 2 -4.146 -0.043 1.997 9 HD2 PHE 2 HD2 PHE 2 -1.905 -2.124 4.954 10 HE1 PHE 2 HE1 PHE 2 -2.450 1.735 1.954 11 HE2 PHE 2 HE2 PHE 2 -0.206 -0.350 4.918 12 HZ PHE 2 HZ PHE 2 -0.477 1.583 3.416 13 H CYS 3 HN CYS 3 -4.366 -0.236 6.048 14 HA CYS 3 HA CYS 3 -6.586 1.307 5.040 15 HB2 CYS 3 HB2 CYS 3 -7.269 0.154 7.187 16 HB3 CYS 3 HB1 CYS 3 -6.003 1.072 7.993 17 H TRP 4 HN TRP 4 -6.044 3.386 4.786 18 HA TRP 4 HA TRP 4 -3.735 4.478 6.111 19 HB2 TRP 4 HB2 TRP 4 -2.900 3.244 4.030 20 HB3 TRP 4 HB1 TRP 4 -3.845 4.383 3.084 21 HD1 TRP 4 HD1 TRP 4 -2.923 6.957 3.015 22 HE1 TRP 4 HE1 TRP 4 -0.566 7.916 3.429 23 HE3 TRP 4 3HE TRP 4 -0.809 2.947 5.382 24 HZ2 TRP 4 HZ2 TRP 4 1.861 7.082 4.586 25 HZ3 TRP 4 HZ3 TRP 4 1.536 3.107 6.102 26 HH2 TRP 4 2HH TRP 4 2.842 5.130 5.711 27 H HIS 5 HN HIS 5 -4.086 6.581 6.396 28 HA HIS 5 HA HIS 5 -5.138 8.553 6.529 29 HB2 HIS 5 HB2 HIS 5 -4.066 8.701 4.261 30 HB3 HIS 5 HB1 HIS 5 -5.583 8.169 3.551 31 HD1 HIS 5 HD1 HIS 5 -6.934 10.077 2.685 32 HD2 HIS 5 HD2 HIS 5 -4.546 11.178 5.894 33 HE1 HIS 5 HE1 HIS 5 -7.307 12.531 3.016 34 H HIS 6 HN HIS 6 -6.660 6.761 7.539 35 HA HIS 6 HA HIS 6 -8.732 6.320 8.337 36 HB2 HIS 6 HB2 HIS 6 -9.543 8.739 6.723 37 HB3 HIS 6 HB1 HIS 6 -10.622 7.884 7.813 38 HD1 HIS 6 HD1 HIS 6 -10.397 8.433 10.322 39 HD2 HIS 6 HD2 HIS 6 -7.495 10.217 7.942 40 HE1 HIS 6 HE1 HIS 6 -9.270 10.156 11.767 41 H SER 7 HN SER 7 -7.977 5.775 5.232 42 HA SER 7 HA SER 7 -10.632 4.781 4.527 43 HB2 SER 7 HB2 SER 7 -8.220 5.294 2.792 44 HB3 SER 7 HB1 SER 7 -9.856 4.910 2.242 45 HG SER 7 HG SER 7 -9.068 7.192 3.724 46 H CYS 8 HN CYS 8 -10.855 2.638 4.791 47 HA CYS 8 HA CYS 8 -8.426 1.000 4.796 48 HB2 CYS 8 HB2 CYS 8 -11.053 0.312 6.115 49 HB3 CYS 8 HB1 CYS 8 -9.507 -0.479 6.326 50 H VAL 9 HN VAL 9 -8.394 -0.829 3.586 51 HA VAL 9 HA VAL 9 -10.689 -1.297 1.830 52 HB VAL 9 HB VAL 9 -9.060 -2.395 0.238 53 HG11 VAL 9 HG11 VAL 9 -9.851 -0.183 -0.224 54 HG12 VAL 9 HG12 VAL 9 -8.137 -0.278 -0.643 55 HG13 VAL 9 3HG1 VAL 9 -8.647 0.507 0.858 56 HG21 VAL 9 HG21 VAL 9 -6.983 -1.112 2.020 57 HG22 VAL 9 HG22 VAL 9 -6.665 -1.843 0.448 58 HG23 VAL 9 HG23 VAL 9 -7.230 -2.843 1.787 59 HA PRO 10 HA PRO 10 -11.264 -5.154 3.743 60 HB2 PRO 10 HB2 PRO 10 -12.267 -6.634 1.699 61 HB3 PRO 10 HB1 PRO 10 -13.175 -5.353 2.515 62 HG2 PRO 10 HG2 PRO 10 -11.650 -5.230 -0.063 63 HG3 PRO 10 HG1 PRO 10 -13.277 -4.619 0.300 64 HD2 PRO 10 HD2 PRO 10 -11.156 -2.995 0.267 65 HD3 PRO 10 HD1 PRO 10 -12.469 -2.779 1.441 66 H SER 11 HN SER 11 -10.500 -7.245 3.941 67 HA SER 11 HA SER 11 -7.940 -7.901 3.137 68 HB2 SER 11 HB2 SER 11 -8.669 -10.217 3.875 69 HB3 SER 11 HB1 SER 11 -8.901 -8.921 5.046 70 HG SER 11 HG SER 11 -11.019 -9.302 3.345 71 H GLY 12 HN GLY 12 -7.110 -8.802 1.304 72 HA2 GLY 12 HA2 GLY 12 -7.428 -10.421 -0.502 73 HA3 GLY 12 HA1 GLY 12 -9.069 -9.810 -0.636 74 H THR 13 HN THR 13 -7.802 -7.089 -0.066 75 HA THR 13 HA THR 13 -7.668 -6.260 -2.753 76 HB THR 13 HB THR 13 -6.863 -4.786 -0.228 77 HG1 THR 13 HG1 THR 13 -8.972 -5.110 -0.002 78 HG21 THR 13 HG21 THR 13 -7.225 -2.738 -1.559 79 HG22 THR 13 HG22 THR 13 -7.549 -3.726 -2.983 80 HG23 THR 13 HG23 THR 13 -5.941 -3.726 -2.260 81 H CYS 14 HN CYS 14 -5.967 -6.008 -4.073 82 HA CYS 14 HA CYS 14 -3.306 -6.487 -2.958 83 HB2 CYS 14 HB2 CYS 14 -4.386 -7.312 -5.651 84 HB3 CYS 14 HB1 CYS 14 -2.724 -7.531 -5.112 85 H ALA 15 HN ALA 15 -1.563 -5.384 -4.020 86 HA ALA 15 HA ALA 15 -2.336 -3.202 -5.761 87 HB1 ALA 15 HB1 ALA 15 -1.134 -1.575 -4.376 88 HB2 ALA 15 HB2 ALA 15 -0.838 -2.833 -3.171 89 HB3 ALA 15 HB3 ALA 15 -2.482 -2.298 -3.494 90 H ASP 16 HN ASP 16 -0.680 -2.525 -7.066 91 HA ASP 16 HA ASP 16 1.621 -4.311 -7.200 92 HB2 ASP 16 HB2 ASP 16 0.535 -2.293 -9.180 93 HB3 ASP 16 HB1 ASP 16 2.008 -3.216 -9.434 94 H PHE 17 HN PHE 17 3.265 -3.660 -6.046 95 HA PHE 17 HA PHE 17 3.775 -0.803 -5.788 96 HB2 PHE 17 HB2 PHE 17 4.691 -3.181 -4.185 97 HB3 PHE 17 HB1 PHE 17 5.345 -1.569 -3.975 98 HD1 PHE 17 HD1 PHE 17 3.985 0.191 -3.009 99 HD2 PHE 17 HD2 PHE 17 2.565 -3.795 -3.335 100 HE1 PHE 17 HE1 PHE 17 2.254 0.680 -1.332 101 HE2 PHE 17 HE2 PHE 17 0.822 -3.314 -1.660 102 HZ PHE 17 HZ PHE 17 0.678 -1.060 -0.661 103 HA PRO 18 HA PRO 18 7.644 -1.413 -8.012 104 HB2 PRO 18 HB2 PRO 18 8.926 0.531 -6.224 105 HB3 PRO 18 HB1 PRO 18 8.590 0.676 -7.950 106 HG2 PRO 18 HG2 PRO 18 7.261 2.137 -6.148 107 HG3 PRO 18 HG1 PRO 18 6.469 1.516 -7.603 108 HD2 PRO 18 HD2 PRO 18 6.409 0.415 -4.816 109 HD3 PRO 18 HD1 PRO 18 5.066 0.681 -5.952 110 H TRP 19 HN TRP 19 9.989 -1.812 -7.487 111 HA TRP 19 HA TRP 19 10.377 -3.952 -5.754 112 HB2 TRP 19 HB2 TRP 19 11.773 -3.272 -7.750 113 HB3 TRP 19 HB1 TRP 19 12.458 -1.990 -6.766 114 HD1 TRP 19 HD1 TRP 19 12.520 -5.771 -7.239 115 HE1 TRP 19 HE1 TRP 19 14.581 -6.727 -6.045 116 HE3 TRP 19 3HE TRP 19 14.093 -1.563 -4.813 117 HZ2 TRP 19 HZ2 TRP 19 16.612 -5.829 -4.326 118 HZ3 TRP 19 HZ3 TRP 19 16.104 -1.708 -3.411 119 HH2 TRP 19 2HH TRP 19 17.335 -3.789 -3.171 120 HA PRO 20 HA PRO 20 11.669 -4.860 -4.409 121 HB2 PRO 20 HB2 PRO 20 11.946 -5.624 -1.764 122 HB3 PRO 20 HB1 PRO 20 13.253 -5.105 -2.827 123 HG2 PRO 20 HG2 PRO 20 12.271 -3.742 -0.519 124 HG3 PRO 20 HG1 PRO 20 13.483 -3.172 -1.673 125 HD2 PRO 20 HD2 PRO 20 10.588 -2.548 -1.510 126 HD3 PRO 20 HD1 PRO 20 11.927 -1.560 -2.131 127 H LEU 21 HN LEU 21 9.000 -3.425 -3.266 128 HA LEU 21 HA LEU 21 7.713 -5.561 -1.868 129 HB2 LEU 21 HB2 LEU 21 6.703 -2.984 -3.018 130 HB3 LEU 21 HB1 LEU 21 5.625 -4.153 -2.284 131 HG LEU 21 HG LEU 21 7.929 -2.839 -0.834 132 HD11 LEU 21 HD11 LEU 21 6.212 -1.197 -1.462 133 HD12 LEU 21 HD12 LEU 21 6.216 -1.508 0.274 134 HD13 LEU 21 HD13 LEU 21 4.975 -2.231 -0.748 135 HD21 LEU 21 HD21 LEU 21 7.228 -5.037 0.015 136 HD22 LEU 21 HD22 LEU 21 5.579 -4.436 0.135 137 HD23 LEU 21 HD23 LEU 21 6.850 -3.727 1.130 138 H GLY 22 HN GLY 22 7.128 -4.156 -5.077 139 HA2 GLY 22 HA2 GLY 22 6.398 -5.136 -7.001 140 HA3 GLY 22 HA1 GLY 22 6.837 -6.692 -6.310 141 H HIS 23 HN HIS 23 5.162 -7.996 -6.414 142 HA HIS 23 HA HIS 23 2.434 -7.002 -6.448 143 HB2 HIS 23 HB2 HIS 23 3.463 -9.856 -6.537 144 HB3 HIS 23 HB1 HIS 23 1.805 -9.356 -6.822 145 HD1 HIS 23 HD1 HIS 23 4.859 -10.154 -8.587 146 HD2 HIS 23 HD2 HIS 23 1.610 -7.644 -9.217 147 HE1 HIS 23 HE1 HIS 23 4.872 -9.592 -11.044 148 H GLN 24 HN GLN 24 1.613 -6.453 -4.463 149 HA GLN 24 HA GLN 24 1.955 -8.437 -2.330 150 HB2 GLN 24 HB2 GLN 24 1.988 -5.431 -2.022 151 HB3 GLN 24 HB1 GLN 24 1.888 -6.564 -0.685 152 HG2 GLN 24 HG2 GLN 24 4.163 -6.367 -2.644 153 HG3 GLN 24 HG1 GLN 24 4.153 -5.723 -1.004 154 HE21 GLN 24 1HE2 GLN 24 5.853 -7.737 -2.304 155 HE22 GLN 24 2HE2 GLN 24 5.763 -9.135 -1.304 156 H CYS 25 HN CYS 25 0.199 -8.961 -1.183 157 HA CYS 25 HA CYS 25 -2.274 -7.528 -1.763 158 HB2 CYS 25 HB2 CYS 25 -1.866 -10.487 -1.296 159 HB3 CYS 25 HB1 CYS 25 -3.434 -9.692 -1.395 160 H PHE 26 HN PHE 26 -3.782 -7.466 -0.017 161 HA PHE 26 HA PHE 26 -2.409 -7.577 2.564 162 HB2 PHE 26 HB2 PHE 26 -4.800 -5.915 1.751 163 HB3 PHE 26 HB1 PHE 26 -3.970 -5.833 3.300 164 HD1 PHE 26 HD1 PHE 26 -1.473 -5.220 3.248 165 HD2 PHE 26 HD2 PHE 26 -4.133 -4.551 -0.004 166 HE1 PHE 26 HE1 PHE 26 0.075 -3.549 2.331 167 HE2 PHE 26 HE2 PHE 26 -2.591 -2.880 -0.927 168 HZ PHE 26 HZ PHE 26 -0.481 -2.380 0.243 169 HA PRO 27 HA PRO 27 -5.257 -11.115 2.801 170 HB2 PRO 27 HB2 PRO 27 -4.066 -12.272 4.955 171 HB3 PRO 27 HB1 PRO 27 -3.482 -12.461 3.301 172 HG2 PRO 27 HG2 PRO 27 -2.519 -10.617 5.450 173 HG3 PRO 27 HG1 PRO 27 -1.578 -11.590 4.304 174 HD2 PRO 27 HD2 PRO 27 -1.968 -8.969 3.954 175 HD3 PRO 27 HD1 PRO 27 -1.886 -10.088 2.582 176 H ASP 28 HN ASP 28 -4.505 -8.891 5.371 177 HA ASP 28 HA ASP 28 -7.112 -9.584 6.561 178 HB2 ASP 28 HB2 ASP 28 -6.324 -8.842 8.754 179 HB3 ASP 28 HB1 ASP 28 -5.259 -10.088 8.127 180 H1 GLY 1 HN GLY 1 7.565 7.562 2.632 181 HA2 GLY 1 HA2 GLY 1 8.126 5.595 1.577 182 HA3 GLY 1 HA1 GLY 1 9.207 5.221 2.916 183 H PHE 2 HN PHE 2 8.286 3.057 2.654 184 HA PHE 2 HA PHE 2 6.167 2.577 4.494 185 HB2 PHE 2 HB2 PHE 2 4.821 3.195 2.513 186 HB3 PHE 2 HB1 PHE 2 5.713 2.048 1.533 187 HD1 PHE 2 HD1 PHE 2 4.722 0.024 1.104 188 HD2 PHE 2 HD2 PHE 2 3.642 2.126 4.641 189 HE1 PHE 2 HE1 PHE 2 3.044 -1.695 1.602 190 HE2 PHE 2 HE2 PHE 2 1.962 0.407 5.152 191 HZ PHE 2 HZ PHE 2 1.660 -1.510 3.632 192 H CYS 3 HN CYS 3 6.102 0.259 4.958 193 HA CYS 3 HA CYS 3 7.959 -1.364 3.444 194 HB2 CYS 3 HB2 CYS 3 9.219 -0.242 5.359 195 HB3 CYS 3 HB1 CYS 3 8.171 -1.144 6.445 196 H TRP 4 HN TRP 4 7.264 -3.418 3.279 197 HA TRP 4 HA TRP 4 5.270 -4.423 5.124 198 HB2 TRP 4 HB2 TRP 4 3.997 -3.215 3.344 199 HB3 TRP 4 HB1 TRP 4 4.788 -4.209 2.132 200 HD1 TRP 4 HD1 TRP 4 3.896 -6.707 1.828 201 HE1 TRP 4 HE1 TRP 4 1.762 -7.891 2.623 202 HE3 TRP 4 3HE TRP 4 2.321 -3.295 5.294 203 HZ2 TRP 4 HZ2 TRP 4 -0.326 -7.439 4.465 204 HZ3 TRP 4 HZ3 TRP 4 0.240 -3.745 6.523 205 HH2 TRP 4 2HH TRP 4 -1.053 -5.773 6.116 206 H HIS 5 HN HIS 5 5.482 -6.587 5.328 207 HA HIS 5 HA HIS 5 6.397 -8.651 5.261 208 HB2 HIS 5 HB2 HIS 5 4.985 -8.616 3.139 209 HB3 HIS 5 HB1 HIS 5 6.449 -8.239 2.245 210 HD1 HIS 5 HD1 HIS 5 6.827 -10.380 0.926 211 HD2 HIS 5 HD2 HIS 5 6.021 -11.099 4.941 212 HE1 HIS 5 HE1 HIS 5 7.118 -12.853 1.265 213 H HIS 6 HN HIS 6 8.124 -6.545 5.702 214 HA HIS 6 HA HIS 6 10.270 -6.240 6.246 215 HB2 HIS 6 HB2 HIS 6 10.815 -8.841 4.808 216 HB3 HIS 6 HB1 HIS 6 12.075 -7.884 5.567 217 HD1 HIS 6 HD1 HIS 6 12.261 -8.025 8.124 218 HD2 HIS 6 HD2 HIS 6 9.075 -10.149 6.530 219 HE1 HIS 6 HE1 HIS 6 11.351 -9.455 10.009 220 H SER 7 HN SER 7 9.105 -5.979 3.223 221 HA SER 7 HA SER 7 11.639 -5.020 2.140 222 HB2 SER 7 HB2 SER 7 8.984 -5.489 0.799 223 HB3 SER 7 HB1 SER 7 10.506 -5.101 -0.014 224 HG SER 7 HG SER 7 10.988 -7.151 1.548 225 H CYS 8 HN CYS 8 12.040 -2.897 2.263 226 HA CYS 8 HA CYS 8 9.775 -1.141 2.827 227 HB2 CYS 8 HB2 CYS 8 12.702 -0.655 3.394 228 HB3 CYS 8 HB1 CYS 8 11.338 0.294 3.952 229 H VAL 9 HN VAL 9 9.470 0.686 1.630 230 HA VAL 9 HA VAL 9 11.208 1.058 -0.700 231 HB VAL 9 HB VAL 9 9.236 2.142 -1.830 232 HG11 VAL 9 HG11 VAL 9 8.047 0.071 -2.360 233 HG12 VAL 9 HG12 VAL 9 8.816 -0.712 -0.979 234 HG13 VAL 9 3HG1 VAL 9 9.795 -0.158 -2.337 235 HG21 VAL 9 HG21 VAL 9 6.975 1.730 -0.932 236 HG22 VAL 9 HG22 VAL 9 7.935 2.750 0.139 237 HG23 VAL 9 HG23 VAL 9 7.696 1.048 0.526 238 HA PRO 10 HA PRO 10 12.208 5.009 0.905 239 HB2 PRO 10 HB2 PRO 10 12.926 6.347 -1.310 240 HB3 PRO 10 HB1 PRO 10 13.885 5.002 -0.681 241 HG2 PRO 10 HG2 PRO 10 11.900 5.031 -2.923 242 HG3 PRO 10 HG1 PRO 10 13.492 4.258 -2.854 243 HD2 PRO 10 HD2 PRO 10 11.167 2.906 -2.458 244 HD3 PRO 10 HD1 PRO 10 12.698 2.442 -1.690 245 H SER 11 HN SER 11 11.736 7.313 0.812 246 HA SER 11 HA SER 11 9.008 7.925 0.604 247 HB2 SER 11 HB2 SER 11 11.430 9.735 0.759 248 HB3 SER 11 HB1 SER 11 9.766 10.189 1.127 249 HG SER 11 HG SER 11 10.161 9.579 3.017 250 H GLY 12 HN GLY 12 7.894 8.736 -1.118 251 HA2 GLY 12 HA2 GLY 12 7.935 10.058 -3.167 252 HA3 GLY 12 HA1 GLY 12 9.487 9.311 -3.525 253 H THR 13 HN THR 13 8.104 6.834 -2.242 254 HA THR 13 HA THR 13 7.279 5.693 -4.707 255 HB THR 13 HB THR 13 7.068 4.632 -1.876 256 HG1 THR 13 HG1 THR 13 9.165 4.710 -2.223 257 HG21 THR 13 HG21 THR 13 6.906 2.409 -2.977 258 HG22 THR 13 HG22 THR 13 6.835 3.225 -4.543 259 HG23 THR 13 HG23 THR 13 5.541 3.455 -3.372 260 H CYS 14 HN CYS 14 5.315 5.788 -5.546 261 HA CYS 14 HA CYS 14 3.058 6.399 -3.788 262 HB2 CYS 14 HB2 CYS 14 3.413 7.022 -6.736 263 HB3 CYS 14 HB1 CYS 14 1.944 7.312 -5.812 264 H ALA 15 HN ALA 15 1.057 5.301 -4.327 265 HA ALA 15 HA ALA 15 1.330 3.036 -6.102 266 HB1 ALA 15 HB1 ALA 15 0.520 1.460 -4.411 267 HB2 ALA 15 HB2 ALA 15 0.564 2.736 -3.196 268 HB3 ALA 15 HB3 ALA 15 2.062 2.167 -3.930 269 H ASP 16 HN ASP 16 -0.616 2.344 -6.880 270 HA ASP 16 HA ASP 16 -2.807 4.223 -6.430 271 HB2 ASP 16 HB2 ASP 16 -2.396 2.233 -8.678 272 HB3 ASP 16 HB1 ASP 16 -3.719 3.383 -8.552 273 H PHE 17 HN PHE 17 -4.123 3.508 -4.892 274 HA PHE 17 HA PHE 17 -4.595 0.647 -4.718 275 HB2 PHE 17 HB2 PHE 17 -5.140 2.884 -2.775 276 HB3 PHE 17 HB1 PHE 17 -5.588 1.206 -2.503 277 HD1 PHE 17 HD1 PHE 17 -2.926 3.670 -2.479 278 HD2 PHE 17 HD2 PHE 17 -3.856 -0.458 -2.075 279 HE1 PHE 17 HE1 PHE 17 -0.758 3.292 -1.388 280 HE2 PHE 17 HE2 PHE 17 -1.694 -0.845 -0.994 281 HZ PHE 17 HZ PHE 17 -0.140 1.026 -0.643 282 HA PRO 18 HA PRO 18 -8.804 1.200 -6.147 283 HB2 PRO 18 HB2 PRO 18 -9.597 -0.727 -4.039 284 HB3 PRO 18 HB1 PRO 18 -9.809 -0.846 -5.786 285 HG2 PRO 18 HG2 PRO 18 -8.012 -2.357 -4.555 286 HG3 PRO 18 HG1 PRO 18 -7.643 -1.618 -6.125 287 HD2 PRO 18 HD2 PRO 18 -6.816 -0.729 -3.385 288 HD3 PRO 18 HD1 PRO 18 -5.846 -0.864 -4.868 289 H TRP 19 HN TRP 19 -11.010 1.637 -5.227 290 HA TRP 19 HA TRP 19 -10.941 3.698 -3.285 291 HB2 TRP 19 HB2 TRP 19 -12.582 3.528 -5.184 292 HB3 TRP 19 HB1 TRP 19 -13.306 2.134 -4.399 293 HD1 TRP 19 HD1 TRP 19 -13.089 5.933 -4.173 294 HE1 TRP 19 HE1 TRP 19 -14.910 6.770 -2.566 295 HE3 TRP 19 3HE TRP 19 -14.747 1.442 -2.405 296 HZ2 TRP 19 HZ2 TRP 19 -16.798 5.678 -0.797 297 HZ3 TRP 19 HZ3 TRP 19 -16.553 1.425 -0.764 298 HH2 TRP 19 2HH TRP 19 -17.568 3.504 0.023 299 HA PRO 20 HA PRO 20 -12.070 4.547 -1.689 300 HB2 PRO 20 HB2 PRO 20 -12.335 5.111 0.894 301 HB3 PRO 20 HB1 PRO 20 -13.642 4.350 -0.020 302 HG2 PRO 20 HG2 PRO 20 -11.791 3.163 1.974 303 HG3 PRO 20 HG1 PRO 20 -13.462 2.725 1.591 304 HD2 PRO 20 HD2 PRO 20 -11.081 1.470 0.654 305 HD3 PRO 20 HD1 PRO 20 -12.746 1.118 0.156 306 H LEU 21 HN LEU 21 -9.479 2.773 -0.994 307 HA LEU 21 HA LEU 21 -7.892 4.264 0.836 308 HB2 LEU 21 HB2 LEU 21 -7.661 1.852 -0.302 309 HB3 LEU 21 HB1 LEU 21 -6.694 2.746 -1.438 310 HG LEU 21 HG LEU 21 -5.212 1.704 0.073 311 HD11 LEU 21 HD11 LEU 21 -5.398 4.566 0.916 312 HD12 LEU 21 HD12 LEU 21 -4.535 3.928 -0.482 313 HD13 LEU 21 HD13 LEU 21 -4.014 3.494 1.145 314 HD21 LEU 21 HD21 LEU 21 -6.821 2.866 2.325 315 HD22 LEU 21 HD22 LEU 21 -5.306 1.982 2.497 316 HD23 LEU 21 HD23 LEU 21 -6.731 1.170 1.852 317 H GLY 22 HN GLY 22 -7.894 4.054 -2.707 318 HA2 GLY 22 HA2 GLY 22 -7.893 5.863 -4.186 319 HA3 GLY 22 HA1 GLY 22 -7.406 6.908 -2.861 320 H HIS 23 HN HIS 23 -5.978 7.693 -4.541 321 HA HIS 23 HA HIS 23 -3.675 5.997 -5.133 322 HB2 HIS 23 HB2 HIS 23 -4.304 8.825 -6.067 323 HB3 HIS 23 HB1 HIS 23 -2.997 7.810 -6.665 324 HD1 HIS 23 HD1 HIS 23 -3.615 6.024 -8.461 325 HD2 HIS 23 HD2 HIS 23 -6.884 8.119 -6.969 326 HE1 HIS 23 HE1 HIS 23 -5.577 5.385 -9.898 327 H GLN 24 HN GLN 24 -2.045 6.021 -3.701 328 HA GLN 24 HA GLN 24 -1.824 8.405 -1.996 329 HB2 GLN 24 HB2 GLN 24 -1.459 5.518 -1.210 330 HB3 GLN 24 HB1 GLN 24 -1.103 6.892 -0.174 331 HG2 GLN 24 HG2 GLN 24 -3.813 6.200 -1.297 332 HG3 GLN 24 HG1 GLN 24 -3.265 5.876 0.348 333 HE21 GLN 24 1HE2 GLN 24 -5.509 7.493 -0.586 334 HE22 GLN 24 2HE2 GLN 24 -5.231 9.083 0.034 335 H CYS 25 HN CYS 25 0.204 8.980 -1.257 336 HA CYS 25 HA CYS 25 2.473 7.631 -2.460 337 HB2 CYS 25 HB2 CYS 25 2.019 10.606 -2.132 338 HB3 CYS 25 HB1 CYS 25 3.572 9.887 -2.539 339 H PHE 26 HN PHE 26 4.240 7.420 -1.136 340 HA PHE 26 HA PHE 26 3.578 7.761 1.684 341 HB2 PHE 26 HB2 PHE 26 5.612 5.954 0.372 342 HB3 PHE 26 HB1 PHE 26 5.224 5.991 2.087 343 HD1 PHE 26 HD1 PHE 26 2.826 5.426 2.763 344 HD2 PHE 26 HD2 PHE 26 4.421 4.578 -1.087 345 HE1 PHE 26 HE1 PHE 26 1.056 3.762 2.400 346 HE2 PHE 26 HE2 PHE 26 2.653 2.914 -1.459 347 HZ PHE 26 HZ PHE 26 0.964 2.505 0.291 348 HA PRO 27 HA PRO 27 6.666 11.035 1.312 349 HB2 PRO 27 HB2 PRO 27 6.061 12.293 3.639 350 HB3 PRO 27 HB1 PRO 27 5.115 12.489 2.162 351 HG2 PRO 27 HG2 PRO 27 4.562 10.782 4.547 352 HG3 PRO 27 HG1 PRO 27 3.437 11.751 3.581 353 HD2 PRO 27 HD2 PRO 27 3.719 9.053 3.328 354 HD3 PRO 27 HD1 PRO 27 3.202 10.109 1.998 355 H ASP 28 HN ASP 28 6.256 8.795 3.933 356 HA ASP 28 HA ASP 28 9.071 9.223 4.673 357 HB2 ASP 28 HB2 ASP 28 8.590 8.435 6.901 358 HB3 ASP 28 HB1 ASP 28 7.411 9.675 6.515 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 -6.685 -7.718 4.188 2 HA2 GLY 1 HA2 GLY 1 -7.712 -5.855 3.142 3 HA3 GLY 1 HA1 GLY 1 -8.389 -5.394 4.709 4 H PHE 2 HN PHE 2 -7.314 -3.319 3.803 5 HA PHE 2 HA PHE 2 -4.799 -3.127 5.234 6 HB2 PHE 2 HB2 PHE 2 -4.080 -3.640 2.937 7 HB3 PHE 2 HB1 PHE 2 -5.031 -2.297 2.329 8 HD1 PHE 2 HD1 PHE 2 -3.865 -0.397 1.798 9 HD2 PHE 2 HD2 PHE 2 -2.374 -2.896 4.896 10 HE1 PHE 2 HE1 PHE 2 -1.928 1.092 2.057 11 HE2 PHE 2 HE2 PHE 2 -0.431 -1.412 5.159 12 HZ PHE 2 HZ PHE 2 -0.207 0.583 3.739 13 H CYS 3 HN CYS 3 -4.627 -1.277 6.287 14 HA CYS 3 HA CYS 3 -6.535 0.839 5.657 15 HB2 CYS 3 HB2 CYS 3 -5.637 -0.143 8.371 16 HB3 CYS 3 HB1 CYS 3 -6.582 1.313 8.099 17 H TRP 4 HN TRP 4 -5.641 2.696 5.276 18 HA TRP 4 HA TRP 4 -3.231 3.506 6.618 19 HB2 TRP 4 HB2 TRP 4 -2.466 2.270 4.579 20 HB3 TRP 4 HB1 TRP 4 -3.379 3.389 3.586 21 HD1 TRP 4 HD1 TRP 4 -2.264 5.768 3.142 22 HE1 TRP 4 HE1 TRP 4 0.059 6.717 3.571 23 HE3 TRP 4 3HE TRP 4 -0.518 2.162 6.293 24 HZ2 TRP 4 HZ2 TRP 4 2.365 6.038 5.071 25 HZ3 TRP 4 HZ3 TRP 4 1.772 2.387 7.184 26 HH2 TRP 4 2HH TRP 4 3.171 4.278 6.586 27 H HIS 5 HN HIS 5 -3.695 5.453 7.285 28 HA HIS 5 HA HIS 5 -4.621 7.449 7.595 29 HB2 HIS 5 HB2 HIS 5 -4.404 7.598 4.579 30 HB3 HIS 5 HB1 HIS 5 -4.911 8.961 5.573 31 HD1 HIS 5 HD1 HIS 5 -2.158 8.673 3.808 32 HD2 HIS 5 HD2 HIS 5 -2.617 8.461 7.932 33 HE1 HIS 5 HE1 HIS 5 0.086 9.225 4.792 34 H HIS 6 HN HIS 6 -6.297 5.628 8.007 35 HA HIS 6 HA HIS 6 -8.434 5.232 8.506 36 HB2 HIS 6 HB2 HIS 6 -8.869 8.047 7.505 37 HB3 HIS 6 HB1 HIS 6 -10.126 7.082 8.273 38 HD1 HIS 6 HD1 HIS 6 -9.876 6.689 10.849 39 HD2 HIS 6 HD2 HIS 6 -6.941 9.086 9.167 40 HE1 HIS 6 HE1 HIS 6 -8.692 7.804 12.781 41 H SER 7 HN SER 7 -7.360 4.933 5.644 42 HA SER 7 HA SER 7 -9.971 4.468 4.420 43 HB2 SER 7 HB2 SER 7 -7.263 4.726 3.140 44 HB3 SER 7 HB1 SER 7 -8.821 4.670 2.298 45 HG SER 7 HG SER 7 -8.090 6.638 4.194 46 H CYS 8 HN CYS 8 -10.512 2.365 4.486 47 HA CYS 8 HA CYS 8 -8.360 0.380 4.572 48 HB2 CYS 8 HB2 CYS 8 -11.107 0.261 5.814 49 HB3 CYS 8 HB1 CYS 8 -9.931 -1.047 5.824 50 H VAL 9 HN VAL 9 -8.250 -0.838 2.871 51 HA VAL 9 HA VAL 9 -10.569 -1.106 1.139 52 HB VAL 9 HB VAL 9 -9.014 -2.360 -0.426 53 HG11 VAL 9 HG11 VAL 9 -8.223 0.437 0.353 54 HG12 VAL 9 HG12 VAL 9 -9.501 -0.019 -0.774 55 HG13 VAL 9 3HG1 VAL 9 -7.815 -0.351 -1.170 56 HG21 VAL 9 HG21 VAL 9 -6.907 -1.430 1.529 57 HG22 VAL 9 HG22 VAL 9 -6.590 -2.154 -0.049 58 HG23 VAL 9 HG23 VAL 9 -7.364 -3.105 1.221 59 HA PRO 10 HA PRO 10 -12.016 -4.969 2.541 60 HB2 PRO 10 HB2 PRO 10 -11.975 -5.995 -0.245 61 HB3 PRO 10 HB1 PRO 10 -13.322 -5.878 0.886 62 HG2 PRO 10 HG2 PRO 10 -13.143 -4.184 -1.140 63 HG3 PRO 10 HG1 PRO 10 -13.660 -3.620 0.459 64 HD2 PRO 10 HD2 PRO 10 -10.999 -3.346 -0.876 65 HD3 PRO 10 HD1 PRO 10 -11.914 -2.158 0.077 66 H SER 11 HN SER 11 -11.588 -7.155 2.877 67 HA SER 11 HA SER 11 -8.893 -7.957 2.975 68 HB2 SER 11 HB2 SER 11 -11.411 -9.621 3.207 69 HB3 SER 11 HB1 SER 11 -9.826 -9.989 3.889 70 HG SER 11 HG SER 11 -10.653 -9.044 5.576 71 H GLY 12 HN GLY 12 -7.704 -8.786 1.341 72 HA2 GLY 12 HA2 GLY 12 -7.516 -10.589 -0.260 73 HA3 GLY 12 HA1 GLY 12 -9.148 -10.211 -0.790 74 H THR 13 HN THR 13 -7.995 -7.273 -0.318 75 HA THR 13 HA THR 13 -7.627 -6.676 -3.049 76 HB THR 13 HB THR 13 -6.791 -5.016 -0.649 77 HG1 THR 13 HG1 THR 13 -8.904 -5.198 -0.326 78 HG21 THR 13 HG21 THR 13 -7.127 -3.103 -2.161 79 HG22 THR 13 HG22 THR 13 -7.515 -4.212 -3.476 80 HG23 THR 13 HG23 THR 13 -5.892 -4.196 -2.789 81 H CYS 14 HN CYS 14 -5.818 -6.787 -4.306 82 HA CYS 14 HA CYS 14 -3.223 -7.078 -2.988 83 HB2 CYS 14 HB2 CYS 14 -4.041 -7.927 -5.772 84 HB3 CYS 14 HB1 CYS 14 -2.483 -8.207 -5.007 85 H ALA 15 HN ALA 15 -1.683 -5.670 -3.424 86 HA ALA 15 HA ALA 15 -2.347 -3.590 -5.370 87 HB1 ALA 15 HB1 ALA 15 -1.266 -1.963 -3.914 88 HB2 ALA 15 HB2 ALA 15 -0.933 -3.230 -2.735 89 HB3 ALA 15 HB3 ALA 15 -2.599 -2.765 -3.082 90 H ASP 16 HN ASP 16 -0.857 -3.071 -6.752 91 HA ASP 16 HA ASP 16 1.601 -4.593 -6.860 92 HB2 ASP 16 HB2 ASP 16 0.331 -4.429 -8.905 93 HB3 ASP 16 HB1 ASP 16 0.254 -2.681 -8.774 94 H PHE 17 HN PHE 17 3.196 -3.828 -5.671 95 HA PHE 17 HA PHE 17 3.673 -0.942 -5.548 96 HB2 PHE 17 HB2 PHE 17 4.672 -3.229 -3.846 97 HB3 PHE 17 HB1 PHE 17 5.246 -1.581 -3.696 98 HD1 PHE 17 HD1 PHE 17 3.814 0.132 -2.749 99 HD2 PHE 17 HD2 PHE 17 2.573 -3.925 -2.988 100 HE1 PHE 17 HE1 PHE 17 2.076 0.577 -1.085 101 HE2 PHE 17 HE2 PHE 17 0.820 -3.493 -1.331 102 HZ PHE 17 HZ PHE 17 0.567 -1.236 -0.368 103 HA PRO 18 HA PRO 18 7.509 -1.662 -7.839 104 HB2 PRO 18 HB2 PRO 18 8.803 0.269 -6.005 105 HB3 PRO 18 HB1 PRO 18 8.599 0.375 -7.754 106 HG2 PRO 18 HG2 PRO 18 7.205 1.946 -6.121 107 HG3 PRO 18 HG1 PRO 18 6.469 1.269 -7.587 108 HD2 PRO 18 HD2 PRO 18 6.212 0.356 -4.745 109 HD3 PRO 18 HD1 PRO 18 4.950 0.555 -5.983 110 H TRP 19 HN TRP 19 9.848 -2.210 -7.305 111 HA TRP 19 HA TRP 19 10.115 -4.236 -5.387 112 HB2 TRP 19 HB2 TRP 19 11.565 -3.961 -7.397 113 HB3 TRP 19 HB1 TRP 19 12.236 -2.495 -6.709 114 HD1 TRP 19 HD1 TRP 19 12.453 -6.308 -6.468 115 HE1 TRP 19 HE1 TRP 19 14.559 -6.930 -5.148 116 HE3 TRP 19 3HE TRP 19 13.777 -1.676 -4.833 117 HZ2 TRP 19 HZ2 TRP 19 16.521 -5.637 -3.608 118 HZ3 TRP 19 HZ3 TRP 19 15.776 -1.444 -3.442 119 HH2 TRP 19 2HH TRP 19 17.126 -3.380 -2.838 120 HA PRO 20 HA PRO 20 11.580 -5.024 -3.989 121 HB2 PRO 20 HB2 PRO 20 11.909 -5.473 -1.236 122 HB3 PRO 20 HB1 PRO 20 13.178 -5.154 -2.415 123 HG2 PRO 20 HG2 PRO 20 12.430 -3.456 -0.296 124 HG3 PRO 20 HG1 PRO 20 13.452 -3.029 -1.673 125 HD2 PRO 20 HD2 PRO 20 10.535 -2.540 -1.263 126 HD3 PRO 20 HD1 PRO 20 11.754 -1.513 -2.048 127 H LEU 21 HN LEU 21 8.771 -3.727 -3.256 128 HA LEU 21 HA LEU 21 7.693 -5.882 -1.627 129 HB2 LEU 21 HB2 LEU 21 6.514 -3.304 -2.578 130 HB3 LEU 21 HB1 LEU 21 5.462 -4.595 -2.053 131 HG LEU 21 HG LEU 21 5.713 -3.061 -0.270 132 HD11 LEU 21 HD11 LEU 21 5.605 -5.360 0.383 133 HD12 LEU 21 HD12 LEU 21 6.637 -4.454 1.489 134 HD13 LEU 21 HD13 LEU 21 7.359 -5.506 0.288 135 HD21 LEU 21 HD21 LEU 21 7.878 -2.507 0.741 136 HD22 LEU 21 HD22 LEU 21 7.747 -1.971 -0.936 137 HD23 LEU 21 HD23 LEU 21 8.691 -3.411 -0.543 138 H GLY 22 HN GLY 22 6.879 -4.487 -4.783 139 HA2 GLY 22 HA2 GLY 22 6.169 -5.614 -6.678 140 HA3 GLY 22 HA1 GLY 22 6.374 -7.131 -5.798 141 H HIS 23 HN HIS 23 4.402 -8.014 -6.297 142 HA HIS 23 HA HIS 23 2.043 -6.462 -5.708 143 HB2 HIS 23 HB2 HIS 23 0.771 -8.473 -6.533 144 HB3 HIS 23 HB1 HIS 23 1.834 -7.743 -7.723 145 HD1 HIS 23 HD1 HIS 23 3.755 -9.235 -8.619 146 HD2 HIS 23 HD2 HIS 23 1.435 -11.035 -5.686 147 HE1 HIS 23 HE1 HIS 23 4.393 -11.685 -8.620 148 H GLN 24 HN GLN 24 1.244 -6.336 -3.823 149 HA GLN 24 HA GLN 24 1.677 -8.550 -1.947 150 HB2 GLN 24 HB2 GLN 24 1.475 -5.603 -1.391 151 HB3 GLN 24 HB1 GLN 24 1.501 -6.838 -0.147 152 HG2 GLN 24 HG2 GLN 24 3.713 -6.314 -2.126 153 HG3 GLN 24 HG1 GLN 24 3.689 -5.789 -0.441 154 HE21 GLN 24 1HE2 GLN 24 3.906 -7.332 1.174 155 HE22 GLN 24 2HE2 GLN 24 4.515 -8.919 0.875 156 H CYS 25 HN CYS 25 -0.072 -9.568 -1.442 157 HA CYS 25 HA CYS 25 -2.667 -8.289 -1.733 158 HB2 CYS 25 HB2 CYS 25 -1.918 -11.172 -1.245 159 HB3 CYS 25 HB1 CYS 25 -3.571 -10.581 -1.390 160 H PHE 26 HN PHE 26 -3.939 -7.770 -0.115 161 HA PHE 26 HA PHE 26 -2.832 -8.130 2.566 162 HB2 PHE 26 HB2 PHE 26 -4.896 -6.152 1.580 163 HB3 PHE 26 HB1 PHE 26 -4.194 -6.197 3.192 164 HD1 PHE 26 HD1 PHE 26 -1.646 -5.898 3.356 165 HD2 PHE 26 HD2 PHE 26 -3.923 -4.862 -0.084 166 HE1 PHE 26 HE1 PHE 26 0.155 -4.401 2.617 167 HE2 PHE 26 HE2 PHE 26 -2.125 -3.365 -0.827 168 HZ PHE 26 HZ PHE 26 -0.078 -3.134 0.530 169 HA PRO 27 HA PRO 27 -6.177 -11.159 2.564 170 HB2 PRO 27 HB2 PRO 27 -5.419 -12.410 4.871 171 HB3 PRO 27 HB1 PRO 27 -4.707 -12.749 3.292 172 HG2 PRO 27 HG2 PRO 27 -3.672 -11.056 5.520 173 HG3 PRO 27 HG1 PRO 27 -2.788 -12.141 4.432 174 HD2 PRO 27 HD2 PRO 27 -2.826 -9.446 4.153 175 HD3 PRO 27 HD1 PRO 27 -2.645 -10.555 2.779 176 H ASP 28 HN ASP 28 -5.362 -9.150 5.356 177 HA ASP 28 HA ASP 28 -8.084 -9.545 6.371 178 HB2 ASP 28 HB2 ASP 28 -6.177 -9.772 7.959 179 HB3 ASP 28 HB1 ASP 28 -5.737 -8.099 7.642 180 H1 GLY 1 HN GLY 1 7.709 7.445 2.462 181 HA2 GLY 1 HA2 GLY 1 8.513 5.537 1.366 182 HA3 GLY 1 HA1 GLY 1 9.638 5.273 2.697 183 H PHE 2 HN PHE 2 8.277 3.144 1.940 184 HA PHE 2 HA PHE 2 6.302 2.815 4.075 185 HB2 PHE 2 HB2 PHE 2 5.034 3.201 2.019 186 HB3 PHE 2 HB1 PHE 2 5.935 1.943 1.198 187 HD1 PHE 2 HD1 PHE 2 4.999 -0.158 1.046 188 HD2 PHE 2 HD2 PHE 2 3.741 2.439 4.173 189 HE1 PHE 2 HE1 PHE 2 3.283 -1.787 1.704 190 HE2 PHE 2 HE2 PHE 2 2.025 0.809 4.839 191 HZ PHE 2 HZ PHE 2 1.794 -1.306 3.602 192 H CYS 3 HN CYS 3 6.658 1.054 5.212 193 HA CYS 3 HA CYS 3 8.514 -0.929 4.132 194 HB2 CYS 3 HB2 CYS 3 8.186 0.051 6.969 195 HB3 CYS 3 HB1 CYS 3 9.172 -1.328 6.496 196 H TRP 4 HN TRP 4 7.675 -2.823 3.866 197 HA TRP 4 HA TRP 4 5.703 -3.876 5.704 198 HB2 TRP 4 HB2 TRP 4 4.408 -2.677 3.938 199 HB3 TRP 4 HB1 TRP 4 5.200 -3.641 2.712 200 HD1 TRP 4 HD1 TRP 4 4.437 -6.267 2.584 201 HE1 TRP 4 HE1 TRP 4 2.226 -7.406 3.304 202 HE3 TRP 4 3HE TRP 4 2.567 -2.610 5.621 203 HZ2 TRP 4 HZ2 TRP 4 0.015 -6.832 4.924 204 HZ3 TRP 4 HZ3 TRP 4 0.396 -2.982 6.712 205 HH2 TRP 4 2HH TRP 4 -0.852 -5.050 6.367 206 H HIS 5 HN HIS 5 6.158 -6.003 5.986 207 HA HIS 5 HA HIS 5 7.023 -8.081 5.759 208 HB2 HIS 5 HB2 HIS 5 5.702 -7.974 3.586 209 HB3 HIS 5 HB1 HIS 5 7.184 -7.490 2.778 210 HD1 HIS 5 HD1 HIS 5 8.135 -9.440 1.541 211 HD2 HIS 5 HD2 HIS 5 6.307 -10.584 5.091 212 HE1 HIS 5 HE1 HIS 5 8.355 -11.942 1.662 213 H HIS 6 HN HIS 6 8.648 -5.718 6.128 214 HA HIS 6 HA HIS 6 10.733 -5.151 6.620 215 HB2 HIS 6 HB2 HIS 6 11.485 -7.943 5.716 216 HB3 HIS 6 HB1 HIS 6 12.647 -6.794 6.367 217 HD1 HIS 6 HD1 HIS 6 12.612 -6.414 8.945 218 HD2 HIS 6 HD2 HIS 6 9.681 -9.021 7.569 219 HE1 HIS 6 HE1 HIS 6 11.664 -7.532 10.983 220 H SER 7 HN SER 7 9.546 -5.143 3.785 221 HA SER 7 HA SER 7 11.996 -4.260 2.451 222 HB2 SER 7 HB2 SER 7 9.299 -5.044 1.328 223 HB3 SER 7 HB1 SER 7 10.689 -4.532 0.370 224 HG SER 7 HG SER 7 11.750 -6.325 1.654 225 H CYS 8 HN CYS 8 12.164 -2.106 1.903 226 HA CYS 8 HA CYS 8 9.821 -0.436 2.483 227 HB2 CYS 8 HB2 CYS 8 12.715 0.228 3.005 228 HB3 CYS 8 HB1 CYS 8 11.331 1.266 3.323 229 H VAL 9 HN VAL 9 9.201 0.835 0.907 230 HA VAL 9 HA VAL 9 10.966 1.263 -1.375 231 HB VAL 9 HB VAL 9 8.976 2.409 -2.452 232 HG11 VAL 9 HG11 VAL 9 8.632 -0.414 -1.520 233 HG12 VAL 9 HG12 VAL 9 9.432 0.124 -2.999 234 HG13 VAL 9 3HG1 VAL 9 7.685 0.315 -2.815 235 HG21 VAL 9 HG21 VAL 9 6.753 2.074 -1.463 236 HG22 VAL 9 HG22 VAL 9 7.780 3.055 -0.413 237 HG23 VAL 9 HG23 VAL 9 7.507 1.352 -0.041 238 HA PRO 10 HA PRO 10 12.431 5.140 -0.029 239 HB2 PRO 10 HB2 PRO 10 12.630 6.452 -2.438 240 HB3 PRO 10 HB1 PRO 10 13.805 5.276 -1.845 241 HG2 PRO 10 HG2 PRO 10 11.545 4.905 -3.763 242 HG3 PRO 10 HG1 PRO 10 13.195 4.257 -3.836 243 HD2 PRO 10 HD2 PRO 10 11.137 2.748 -3.060 244 HD3 PRO 10 HD1 PRO 10 12.735 2.587 -2.300 245 H SER 11 HN SER 11 11.947 7.274 0.270 246 HA SER 11 HA SER 11 9.301 8.083 0.507 247 HB2 SER 11 HB2 SER 11 11.770 9.825 0.303 248 HB3 SER 11 HB1 SER 11 10.230 10.260 1.039 249 HG SER 11 HG SER 11 12.070 8.288 1.927 250 H GLY 12 HN GLY 12 7.924 8.889 -0.950 251 HA2 GLY 12 HA2 GLY 12 7.479 10.500 -2.700 252 HA3 GLY 12 HA1 GLY 12 9.030 10.068 -3.410 253 H THR 13 HN THR 13 7.909 7.225 -2.420 254 HA THR 13 HA THR 13 7.004 6.467 -5.021 255 HB THR 13 HB THR 13 6.997 4.915 -2.416 256 HG1 THR 13 HG1 THR 13 9.072 5.180 -2.777 257 HG21 THR 13 HG21 THR 13 6.817 3.965 -5.285 258 HG22 THR 13 HG22 THR 13 5.507 3.928 -4.107 259 HG23 THR 13 HG23 THR 13 6.937 2.921 -3.869 260 H CYS 14 HN CYS 14 4.975 6.718 -5.737 261 HA CYS 14 HA CYS 14 2.810 6.814 -3.779 262 HB2 CYS 14 HB2 CYS 14 2.748 7.883 -6.615 263 HB3 CYS 14 HB1 CYS 14 1.586 8.178 -5.340 264 H ALA 15 HN ALA 15 0.874 5.613 -4.353 265 HA ALA 15 HA ALA 15 1.121 3.812 -6.616 266 HB1 ALA 15 HB1 ALA 15 2.127 2.599 -4.740 267 HB2 ALA 15 HB2 ALA 15 0.611 1.847 -5.244 268 HB3 ALA 15 HB3 ALA 15 0.663 2.847 -3.792 269 H ASP 16 HN ASP 16 -0.809 3.139 -7.406 270 HA ASP 16 HA ASP 16 -3.162 4.609 -6.557 271 HB2 ASP 16 HB2 ASP 16 -2.773 4.684 -8.907 272 HB3 ASP 16 HB1 ASP 16 -2.502 2.950 -8.988 273 H PHE 17 HN PHE 17 -4.242 3.713 -4.978 274 HA PHE 17 HA PHE 17 -4.626 0.813 -4.907 275 HB2 PHE 17 HB2 PHE 17 -5.067 2.986 -2.860 276 HB3 PHE 17 HB1 PHE 17 -5.532 1.315 -2.617 277 HD1 PHE 17 HD1 PHE 17 -3.949 -0.302 -1.991 278 HD2 PHE 17 HD2 PHE 17 -2.710 3.635 -2.954 279 HE1 PHE 17 HE1 PHE 17 -1.741 -0.765 -1.005 280 HE2 PHE 17 HE2 PHE 17 -0.497 3.189 -1.974 281 HZ PHE 17 HZ PHE 17 -0.016 0.987 -0.998 282 HA PRO 18 HA PRO 18 -8.941 1.444 -5.902 283 HB2 PRO 18 HB2 PRO 18 -9.834 -0.399 -3.818 284 HB3 PRO 18 HB1 PRO 18 -9.910 -0.595 -5.569 285 HG2 PRO 18 HG2 PRO 18 -8.253 -2.043 -3.992 286 HG3 PRO 18 HG1 PRO 18 -7.874 -1.627 -5.671 287 HD2 PRO 18 HD2 PRO 18 -6.875 -0.401 -3.137 288 HD3 PRO 18 HD1 PRO 18 -6.008 -0.723 -4.651 289 H TRP 19 HN TRP 19 -11.074 1.974 -4.823 290 HA TRP 19 HA TRP 19 -10.764 4.065 -2.956 291 HB2 TRP 19 HB2 TRP 19 -12.626 3.755 -4.705 292 HB3 TRP 19 HB1 TRP 19 -13.312 2.552 -3.628 293 HD1 TRP 19 HD1 TRP 19 -12.676 6.322 -3.871 294 HE1 TRP 19 HE1 TRP 19 -14.248 7.521 -2.233 295 HE3 TRP 19 3HE TRP 19 -14.691 2.246 -1.543 296 HZ2 TRP 19 HZ2 TRP 19 -16.087 6.845 -0.235 297 HZ3 TRP 19 HZ3 TRP 19 -16.355 2.613 0.221 298 HH2 TRP 19 2HH TRP 19 -17.041 4.865 0.865 299 HA PRO 20 HA PRO 20 -11.630 4.999 -1.293 300 HB2 PRO 20 HB2 PRO 20 -11.501 5.598 1.321 301 HB3 PRO 20 HB1 PRO 20 -12.976 5.017 0.544 302 HG2 PRO 20 HG2 PRO 20 -11.221 3.647 2.451 303 HG3 PRO 20 HG1 PRO 20 -12.881 3.259 1.981 304 HD2 PRO 20 HD2 PRO 20 -10.391 2.088 1.036 305 HD3 PRO 20 HD1 PRO 20 -12.055 1.565 0.717 306 H LEU 21 HN LEU 21 -8.994 3.220 -1.006 307 HA LEU 21 HA LEU 21 -7.269 5.038 0.381 308 HB2 LEU 21 HB2 LEU 21 -6.779 2.567 -1.233 309 HB3 LEU 21 HB1 LEU 21 -5.442 3.620 -0.820 310 HG LEU 21 HG LEU 21 -7.241 2.364 1.264 311 HD11 LEU 21 HD11 LEU 21 -5.485 0.777 1.613 312 HD12 LEU 21 HD12 LEU 21 -4.532 1.472 0.299 313 HD13 LEU 21 HD13 LEU 21 -6.052 0.638 -0.053 314 HD21 LEU 21 HD21 LEU 21 -4.471 3.492 1.454 315 HD22 LEU 21 HD22 LEU 21 -5.532 3.018 2.787 316 HD23 LEU 21 HD23 LEU 21 -5.910 4.431 1.796 317 H GLY 22 HN GLY 22 -7.467 4.095 -3.046 318 HA2 GLY 22 HA2 GLY 22 -7.253 5.433 -4.908 319 HA3 GLY 22 HA1 GLY 22 -7.233 6.837 -3.847 320 H HIS 23 HN HIS 23 -5.525 7.768 -5.055 321 HA HIS 23 HA HIS 23 -3.004 6.396 -5.233 322 HB2 HIS 23 HB2 HIS 23 -3.654 9.324 -5.690 323 HB3 HIS 23 HB1 HIS 23 -2.072 8.612 -5.940 324 HD1 HIS 23 HD1 HIS 23 -1.777 7.123 -8.125 325 HD2 HIS 23 HD2 HIS 23 -5.511 8.890 -7.636 326 HE1 HIS 23 HE1 HIS 23 -2.917 6.958 -10.347 327 H GLN 24 HN GLN 24 -2.136 5.925 -3.398 328 HA GLN 24 HA GLN 24 -1.949 7.971 -1.299 329 HB2 GLN 24 HB2 GLN 24 -1.449 4.987 -1.199 330 HB3 GLN 24 HB1 GLN 24 -1.282 6.085 0.164 331 HG2 GLN 24 HG2 GLN 24 -3.837 5.585 -1.339 332 HG3 GLN 24 HG1 GLN 24 -3.387 4.818 0.185 333 HE21 GLN 24 1HE2 GLN 24 -3.466 5.990 2.035 334 HE22 GLN 24 2HE2 GLN 24 -4.213 7.545 2.147 335 H CYS 25 HN CYS 25 0.079 8.701 -0.707 336 HA CYS 25 HA CYS 25 2.248 7.452 -2.166 337 HB2 CYS 25 HB2 CYS 25 1.460 9.634 -3.204 338 HB3 CYS 25 HB1 CYS 25 2.053 10.431 -1.749 339 H PHE 26 HN PHE 26 4.199 7.390 -1.153 340 HA PHE 26 HA PHE 26 3.916 7.708 1.741 341 HB2 PHE 26 HB2 PHE 26 5.739 5.853 0.203 342 HB3 PHE 26 HB1 PHE 26 5.482 5.846 1.942 343 HD1 PHE 26 HD1 PHE 26 3.039 5.441 2.738 344 HD2 PHE 26 HD2 PHE 26 4.458 4.479 -1.159 345 HE1 PHE 26 HE1 PHE 26 1.168 3.873 2.444 346 HE2 PHE 26 HE2 PHE 26 2.589 2.911 -1.457 347 HZ PHE 26 HZ PHE 26 0.939 2.607 0.346 348 HA PRO 27 HA PRO 27 7.070 10.856 0.732 349 HB2 PRO 27 HB2 PRO 27 6.544 12.516 2.780 350 HB3 PRO 27 HB1 PRO 27 5.522 12.451 1.340 351 HG2 PRO 27 HG2 PRO 27 5.097 11.207 4.021 352 HG3 PRO 27 HG1 PRO 27 3.929 12.033 2.975 353 HD2 PRO 27 HD2 PRO 27 4.152 9.318 3.160 354 HD3 PRO 27 HD1 PRO 27 3.555 10.155 1.717 355 H ASP 28 HN ASP 28 6.730 8.810 3.418 356 HA ASP 28 HA ASP 28 9.472 9.471 4.308 357 HB2 ASP 28 HB2 ASP 28 7.728 9.692 6.083 358 HB3 ASP 28 HB1 ASP 28 7.277 8.016 5.827 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 -6.297 -7.849 4.498 2 HA2 GLY 1 HA2 GLY 1 -7.363 -6.042 3.511 3 HA3 GLY 1 HA1 GLY 1 -7.949 -5.554 5.104 4 H PHE 2 HN PHE 2 -7.112 -3.469 3.952 5 HA PHE 2 HA PHE 2 -4.481 -2.979 5.095 6 HB2 PHE 2 HB2 PHE 2 -3.981 -3.465 2.764 7 HB3 PHE 2 HB1 PHE 2 -5.224 -2.353 2.224 8 HD1 PHE 2 HD1 PHE 2 -4.635 -0.183 1.657 9 HD2 PHE 2 HD2 PHE 2 -2.051 -2.449 4.170 10 HE1 PHE 2 HE1 PHE 2 -2.956 1.609 1.540 11 HE2 PHE 2 HE2 PHE 2 -0.372 -0.660 4.059 12 HZ PHE 2 HZ PHE 2 -0.821 1.373 2.742 13 H CYS 3 HN CYS 3 -4.407 -1.079 6.122 14 HA CYS 3 HA CYS 3 -6.488 0.871 5.525 15 HB2 CYS 3 HB2 CYS 3 -5.466 0.101 8.261 16 HB3 CYS 3 HB1 CYS 3 -6.645 1.355 7.912 17 H TRP 4 HN TRP 4 -5.716 2.812 5.224 18 HA TRP 4 HA TRP 4 -3.362 3.729 6.567 19 HB2 TRP 4 HB2 TRP 4 -2.491 2.638 4.474 20 HB3 TRP 4 HB1 TRP 4 -3.494 3.717 3.527 21 HD1 TRP 4 HD1 TRP 4 -2.708 6.290 3.382 22 HE1 TRP 4 HE1 TRP 4 -0.393 7.403 3.799 23 HE3 TRP 4 3HE TRP 4 -0.396 2.501 5.913 24 HZ2 TRP 4 HZ2 TRP 4 2.033 6.761 5.023 25 HZ3 TRP 4 HZ3 TRP 4 1.925 2.829 6.670 26 HH2 TRP 4 2HH TRP 4 3.112 4.915 6.233 27 H HIS 5 HN HIS 5 -3.544 5.929 6.860 28 HA HIS 5 HA HIS 5 -4.543 7.952 7.052 29 HB2 HIS 5 HB2 HIS 5 -4.051 7.923 4.560 30 HB3 HIS 5 HB1 HIS 5 -5.696 7.383 4.297 31 HD1 HIS 5 HD1 HIS 5 -6.258 9.508 2.910 32 HD2 HIS 5 HD2 HIS 5 -5.000 10.321 6.782 33 HE1 HIS 5 HE1 HIS 5 -6.753 11.945 3.305 34 H HIS 6 HN HIS 6 -5.813 5.450 7.813 35 HA HIS 6 HA HIS 6 -7.568 4.707 8.917 36 HB2 HIS 6 HB2 HIS 6 -8.686 7.511 8.626 37 HB3 HIS 6 HB1 HIS 6 -9.416 6.253 9.617 38 HD1 HIS 6 HD1 HIS 6 -8.221 5.704 11.902 39 HD2 HIS 6 HD2 HIS 6 -6.351 8.645 9.637 40 HE1 HIS 6 HE1 HIS 6 -6.530 6.780 13.411 41 H SER 7 HN SER 7 -7.485 5.068 5.847 42 HA SER 7 HA SER 7 -10.256 4.346 5.290 43 HB2 SER 7 HB2 SER 7 -7.910 4.848 3.441 44 HB3 SER 7 HB1 SER 7 -9.579 4.611 2.935 45 HG SER 7 HG SER 7 -9.596 6.509 4.740 46 H CYS 8 HN CYS 8 -10.737 2.209 5.021 47 HA CYS 8 HA CYS 8 -8.461 0.368 4.875 48 HB2 CYS 8 HB2 CYS 8 -11.130 -0.005 6.222 49 HB3 CYS 8 HB1 CYS 8 -9.930 -1.273 6.023 50 H VAL 9 HN VAL 9 -8.428 -1.182 3.417 51 HA VAL 9 HA VAL 9 -10.810 -1.576 1.759 52 HB VAL 9 HB VAL 9 -9.275 -2.632 0.042 53 HG11 VAL 9 HG11 VAL 9 -8.746 0.236 0.746 54 HG12 VAL 9 HG12 VAL 9 -10.019 -0.381 -0.306 55 HG13 VAL 9 3HG1 VAL 9 -8.329 -0.508 -0.797 56 HG21 VAL 9 HG21 VAL 9 -7.096 -1.460 1.763 57 HG22 VAL 9 HG22 VAL 9 -6.867 -2.166 0.161 58 HG23 VAL 9 HG23 VAL 9 -7.397 -3.178 1.506 59 HA PRO 10 HA PRO 10 -11.312 -5.440 3.645 60 HB2 PRO 10 HB2 PRO 10 -12.539 -6.875 1.737 61 HB3 PRO 10 HB1 PRO 10 -13.323 -5.520 2.560 62 HG2 PRO 10 HG2 PRO 10 -11.954 -5.572 -0.111 63 HG3 PRO 10 HG1 PRO 10 -13.522 -4.861 0.312 64 HD2 PRO 10 HD2 PRO 10 -11.299 -3.373 0.100 65 HD3 PRO 10 HD1 PRO 10 -12.554 -3.012 1.302 66 H SER 11 HN SER 11 -10.831 -7.674 3.636 67 HA SER 11 HA SER 11 -8.286 -8.410 2.787 68 HB2 SER 11 HB2 SER 11 -10.614 -10.141 3.622 69 HB3 SER 11 HB1 SER 11 -8.903 -10.578 3.657 70 HG SER 11 HG SER 11 -8.882 -9.797 5.542 71 H GLY 12 HN GLY 12 -7.616 -9.433 0.960 72 HA2 GLY 12 HA2 GLY 12 -8.123 -10.987 -0.837 73 HA3 GLY 12 HA1 GLY 12 -9.708 -10.227 -0.943 74 H THR 13 HN THR 13 -8.319 -7.601 -0.395 75 HA THR 13 HA THR 13 -8.063 -6.786 -3.094 76 HB THR 13 HB THR 13 -7.205 -5.320 -0.582 77 HG1 THR 13 HG1 THR 13 -9.278 -5.562 -0.218 78 HG21 THR 13 HG21 THR 13 -8.038 -4.286 -3.306 79 HG22 THR 13 HG22 THR 13 -6.388 -4.305 -2.685 80 HG23 THR 13 HG23 THR 13 -7.609 -3.291 -1.914 81 H CYS 14 HN CYS 14 -6.278 -6.728 -4.364 82 HA CYS 14 HA CYS 14 -3.672 -7.047 -3.081 83 HB2 CYS 14 HB2 CYS 14 -4.517 -7.995 -5.835 84 HB3 CYS 14 HB1 CYS 14 -2.906 -8.151 -5.151 85 H ALA 15 HN ALA 15 -1.964 -5.838 -3.965 86 HA ALA 15 HA ALA 15 -2.632 -3.715 -5.847 87 HB1 ALA 15 HB1 ALA 15 -1.605 -3.222 -3.049 88 HB2 ALA 15 HB2 ALA 15 -3.204 -2.796 -3.648 89 HB3 ALA 15 HB3 ALA 15 -1.775 -1.986 -4.297 90 H ASP 16 HN ASP 16 -0.774 -2.916 -6.889 91 HA ASP 16 HA ASP 16 1.579 -4.593 -6.485 92 HB2 ASP 16 HB2 ASP 16 2.270 -4.080 -8.726 93 HB3 ASP 16 HB1 ASP 16 0.567 -4.488 -8.793 94 H PHE 17 HN PHE 17 3.587 -3.767 -6.213 95 HA PHE 17 HA PHE 17 3.852 -0.913 -5.612 96 HB2 PHE 17 HB2 PHE 17 4.624 -3.268 -3.888 97 HB3 PHE 17 HB1 PHE 17 5.305 -1.671 -3.664 98 HD1 PHE 17 HD1 PHE 17 4.137 -0.022 -2.474 99 HD2 PHE 17 HD2 PHE 17 2.206 -3.671 -3.485 100 HE1 PHE 17 HE1 PHE 17 2.319 0.512 -0.919 101 HE2 PHE 17 HE2 PHE 17 0.384 -3.144 -1.934 102 HZ PHE 17 HZ PHE 17 0.440 -1.047 -0.646 103 HA PRO 18 HA PRO 18 7.830 -1.383 -7.693 104 HB2 PRO 18 HB2 PRO 18 9.053 0.144 -5.461 105 HB3 PRO 18 HB1 PRO 18 9.028 0.515 -7.187 106 HG2 PRO 18 HG2 PRO 18 7.536 1.904 -5.496 107 HG3 PRO 18 HG1 PRO 18 6.909 1.450 -7.092 108 HD2 PRO 18 HD2 PRO 18 6.370 0.206 -4.424 109 HD3 PRO 18 HD1 PRO 18 5.239 0.593 -5.740 110 H TRP 19 HN TRP 19 10.128 -2.038 -7.237 111 HA TRP 19 HA TRP 19 10.302 -4.445 -5.803 112 HB2 TRP 19 HB2 TRP 19 11.740 -3.722 -7.767 113 HB3 TRP 19 HB1 TRP 19 12.565 -2.611 -6.688 114 HD1 TRP 19 HD1 TRP 19 12.348 -6.288 -7.621 115 HE1 TRP 19 HE1 TRP 19 14.295 -7.561 -6.516 116 HE3 TRP 19 3HE TRP 19 14.150 -2.595 -4.584 117 HZ2 TRP 19 HZ2 TRP 19 16.312 -7.074 -4.629 118 HZ3 TRP 19 HZ3 TRP 19 16.082 -3.082 -3.161 119 HH2 TRP 19 2HH TRP 19 17.146 -5.278 -3.180 120 HA PRO 20 HA PRO 20 11.429 -5.663 -4.598 121 HB2 PRO 20 HB2 PRO 20 11.945 -6.738 -2.142 122 HB3 PRO 20 HB1 PRO 20 13.180 -6.104 -3.228 123 HG2 PRO 20 HG2 PRO 20 12.362 -5.043 -0.676 124 HG3 PRO 20 HG1 PRO 20 13.625 -4.451 -1.762 125 HD2 PRO 20 HD2 PRO 20 10.843 -3.502 -1.428 126 HD3 PRO 20 HD1 PRO 20 12.265 -2.639 -2.043 127 H LEU 21 HN LEU 21 9.002 -4.118 -3.415 128 HA LEU 21 HA LEU 21 7.669 -6.045 -1.787 129 HB2 LEU 21 HB2 LEU 21 6.817 -3.477 -3.065 130 HB3 LEU 21 HB1 LEU 21 5.624 -4.555 -2.390 131 HG LEU 21 HG LEU 21 6.099 -2.794 -0.845 132 HD11 LEU 21 HD11 LEU 21 7.254 -5.406 0.072 133 HD12 LEU 21 HD12 LEU 21 5.561 -4.907 0.121 134 HD13 LEU 21 HD13 LEU 21 6.768 -4.072 1.108 135 HD21 LEU 21 HD21 LEU 21 8.244 -2.429 0.141 136 HD22 LEU 21 HD22 LEU 21 8.389 -2.298 -1.631 137 HD23 LEU 21 HD23 LEU 21 8.926 -3.758 -0.791 138 H GLY 22 HN GLY 22 7.054 -4.877 -5.087 139 HA2 GLY 22 HA2 GLY 22 6.328 -6.079 -6.893 140 HA3 GLY 22 HA1 GLY 22 6.365 -7.544 -5.912 141 H HIS 23 HN HIS 23 4.399 -8.388 -6.090 142 HA HIS 23 HA HIS 23 2.057 -6.629 -6.006 143 HB2 HIS 23 HB2 HIS 23 2.304 -9.546 -6.757 144 HB3 HIS 23 HB1 HIS 23 0.816 -8.608 -6.801 145 HD1 HIS 23 HD1 HIS 23 4.090 -9.051 -8.631 146 HD2 HIS 23 HD2 HIS 23 0.537 -6.920 -8.961 147 HE1 HIS 23 HE1 HIS 23 4.067 -8.081 -10.955 148 H GLN 24 HN GLN 24 1.166 -6.322 -4.054 149 HA GLN 24 HA GLN 24 1.441 -8.356 -1.985 150 HB2 GLN 24 HB2 GLN 24 0.824 -5.436 -1.993 151 HB3 GLN 24 HB1 GLN 24 0.332 -6.426 -0.637 152 HG2 GLN 24 HG2 GLN 24 2.524 -5.121 -0.564 153 HG3 GLN 24 HG1 GLN 24 2.511 -6.790 0.041 154 HE21 GLN 24 1HE2 GLN 24 3.320 -4.723 -2.563 155 HE22 GLN 24 2HE2 GLN 24 4.502 -5.759 -3.290 156 H CYS 25 HN CYS 25 -0.239 -9.231 -1.077 157 HA CYS 25 HA CYS 25 -2.914 -8.360 -1.835 158 HB2 CYS 25 HB2 CYS 25 -1.897 -11.187 -1.474 159 HB3 CYS 25 HB1 CYS 25 -3.608 -10.776 -1.492 160 H PHE 26 HN PHE 26 -4.285 -8.081 -0.141 161 HA PHE 26 HA PHE 26 -2.898 -8.194 2.430 162 HB2 PHE 26 HB2 PHE 26 -5.204 -6.436 1.599 163 HB3 PHE 26 HB1 PHE 26 -4.347 -6.362 3.133 164 HD1 PHE 26 HD1 PHE 26 -1.838 -5.833 3.048 165 HD2 PHE 26 HD2 PHE 26 -4.478 -5.179 -0.223 166 HE1 PHE 26 HE1 PHE 26 -0.233 -4.244 2.073 167 HE2 PHE 26 HE2 PHE 26 -2.878 -3.590 -1.203 168 HZ PHE 26 HZ PHE 26 -0.752 -3.122 -0.054 169 HA PRO 27 HA PRO 27 -6.050 -11.410 3.222 170 HB2 PRO 27 HB2 PRO 27 -4.751 -12.481 5.370 171 HB3 PRO 27 HB1 PRO 27 -4.373 -12.917 3.704 172 HG2 PRO 27 HG2 PRO 27 -2.977 -11.021 5.536 173 HG3 PRO 27 HG1 PRO 27 -2.288 -12.185 4.393 174 HD2 PRO 27 HD2 PRO 27 -2.452 -9.547 3.853 175 HD3 PRO 27 HD1 PRO 27 -2.579 -10.782 2.592 176 H ASP 28 HN ASP 28 -4.660 -9.058 5.367 177 HA ASP 28 HA ASP 28 -6.902 -9.337 7.257 178 HB2 ASP 28 HB2 ASP 28 -4.357 -7.703 7.483 179 HB3 ASP 28 HB1 ASP 28 -5.594 -7.843 8.718 180 H1 GLY 1 HN GLY 1 7.114 7.734 2.562 181 HA2 GLY 1 HA2 GLY 1 7.843 5.869 1.397 182 HA3 GLY 1 HA1 GLY 1 8.918 5.481 2.740 183 H PHE 2 HN PHE 2 7.951 3.328 2.149 184 HA PHE 2 HA PHE 2 5.801 2.751 3.993 185 HB2 PHE 2 HB2 PHE 2 4.630 3.252 1.859 186 HB3 PHE 2 HB1 PHE 2 5.638 2.075 1.035 187 HD1 PHE 2 HD1 PHE 2 5.026 -0.196 0.973 188 HD2 PHE 2 HD2 PHE 2 3.051 2.462 3.647 189 HE1 PHE 2 HE1 PHE 2 3.364 -1.933 1.469 190 HE2 PHE 2 HE2 PHE 2 1.390 0.728 4.148 191 HZ PHE 2 HZ PHE 2 1.544 -1.477 3.057 192 H CYS 3 HN CYS 3 5.987 0.576 4.710 193 HA CYS 3 HA CYS 3 7.953 -1.034 3.345 194 HB2 CYS 3 HB2 CYS 3 9.082 0.351 5.141 195 HB3 CYS 3 HB1 CYS 3 8.085 -0.501 6.312 196 H TRP 4 HN TRP 4 7.382 -3.113 3.344 197 HA TRP 4 HA TRP 4 5.333 -4.028 5.197 198 HB2 TRP 4 HB2 TRP 4 4.243 -3.058 3.137 199 HB3 TRP 4 HB1 TRP 4 5.100 -4.241 2.180 200 HD1 TRP 4 HD1 TRP 4 4.150 -6.697 2.152 201 HE1 TRP 4 HE1 TRP 4 1.886 -7.708 2.930 202 HE3 TRP 4 3HE TRP 4 2.458 -2.813 4.988 203 HZ2 TRP 4 HZ2 TRP 4 -0.297 -6.939 4.525 204 HZ3 TRP 4 HZ3 TRP 4 0.276 -3.018 6.101 205 HH2 TRP 4 2HH TRP 4 -1.072 -5.036 5.871 206 H HIS 5 HN HIS 5 5.749 -6.111 5.746 207 HA HIS 5 HA HIS 5 6.918 -8.035 6.036 208 HB2 HIS 5 HB2 HIS 5 7.052 -7.903 3.014 209 HB3 HIS 5 HB1 HIS 5 7.677 -9.265 3.934 210 HD1 HIS 5 HD1 HIS 5 5.075 -8.985 1.873 211 HD2 HIS 5 HD2 HIS 5 5.159 -9.663 5.963 212 HE1 HIS 5 HE1 HIS 5 2.943 -10.202 2.423 213 H HIS 6 HN HIS 6 8.302 -5.478 6.082 214 HA HIS 6 HA HIS 6 10.277 -4.669 6.588 215 HB2 HIS 6 HB2 HIS 6 11.266 -7.523 6.386 216 HB3 HIS 6 HB1 HIS 6 12.269 -6.173 6.911 217 HD1 HIS 6 HD1 HIS 6 12.217 -5.700 9.404 218 HD2 HIS 6 HD2 HIS 6 8.933 -7.900 8.123 219 HE1 HIS 6 HE1 HIS 6 10.921 -6.286 11.472 220 H SER 7 HN SER 7 9.380 -5.353 3.738 221 HA SER 7 HA SER 7 11.855 -4.575 2.409 222 HB2 SER 7 HB2 SER 7 9.120 -5.295 1.311 223 HB3 SER 7 HB1 SER 7 10.579 -5.047 0.353 224 HG SER 7 HG SER 7 11.437 -6.795 1.834 225 H CYS 8 HN CYS 8 12.144 -2.378 2.374 226 HA CYS 8 HA CYS 8 9.754 -0.706 2.686 227 HB2 CYS 8 HB2 CYS 8 12.608 0.035 3.287 228 HB3 CYS 8 HB1 CYS 8 11.162 0.921 3.730 229 H VAL 9 HN VAL 9 9.328 0.902 1.280 230 HA VAL 9 HA VAL 9 11.254 1.404 -0.858 231 HB VAL 9 HB VAL 9 9.337 2.408 -2.159 232 HG11 VAL 9 HG11 VAL 9 9.023 -0.459 -1.354 233 HG12 VAL 9 HG12 VAL 9 10.044 0.162 -2.655 234 HG13 VAL 9 3HG1 VAL 9 8.286 0.267 -2.782 235 HG21 VAL 9 HG21 VAL 9 7.822 2.918 -0.309 236 HG22 VAL 9 HG22 VAL 9 7.632 1.197 0.024 237 HG23 VAL 9 HG23 VAL 9 7.024 1.873 -1.488 238 HA PRO 10 HA PRO 10 12.098 5.197 1.045 239 HB2 PRO 10 HB2 PRO 10 13.080 6.629 -1.008 240 HB3 PRO 10 HB1 PRO 10 13.937 5.247 -0.319 241 HG2 PRO 10 HG2 PRO 10 12.206 5.349 -2.769 242 HG3 PRO 10 HG1 PRO 10 13.800 4.600 -2.565 243 HD2 PRO 10 HD2 PRO 10 11.530 3.163 -2.465 244 HD3 PRO 10 HD1 PRO 10 12.941 2.766 -1.462 245 H SER 11 HN SER 11 11.650 7.423 1.162 246 HA SER 11 HA SER 11 9.039 8.222 0.885 247 HB2 SER 11 HB2 SER 11 11.504 9.947 1.055 248 HB3 SER 11 HB1 SER 11 9.875 10.343 1.618 249 HG SER 11 HG SER 11 10.712 9.616 3.402 250 H GLY 12 HN GLY 12 7.929 9.146 -0.736 251 HA2 GLY 12 HA2 GLY 12 7.904 10.775 -2.557 252 HA3 GLY 12 HA1 GLY 12 9.438 10.091 -3.086 253 H THR 13 HN THR 13 8.299 7.396 -2.298 254 HA THR 13 HA THR 13 7.491 6.569 -4.842 255 HB THR 13 HB THR 13 7.133 5.227 -2.154 256 HG1 THR 13 HG1 THR 13 9.245 5.327 -2.367 257 HG21 THR 13 HG21 THR 13 7.051 3.122 -3.440 258 HG22 THR 13 HG22 THR 13 7.112 4.039 -4.945 259 HG23 THR 13 HG23 THR 13 5.714 4.184 -3.882 260 H CYS 14 HN CYS 14 5.564 6.623 -5.838 261 HA CYS 14 HA CYS 14 3.155 6.947 -4.217 262 HB2 CYS 14 HB2 CYS 14 3.700 8.036 -7.001 263 HB3 CYS 14 HB1 CYS 14 2.164 8.146 -6.155 264 H ALA 15 HN ALA 15 1.277 5.861 -5.040 265 HA ALA 15 HA ALA 15 1.592 3.910 -7.132 266 HB1 ALA 15 HB1 ALA 15 1.039 2.009 -5.607 267 HB2 ALA 15 HB2 ALA 15 1.255 3.109 -4.233 268 HB3 ALA 15 HB3 ALA 15 2.615 2.730 -5.271 269 H ASP 16 HN ASP 16 -0.495 2.931 -7.615 270 HA ASP 16 HA ASP 16 -2.703 4.610 -6.692 271 HB2 ASP 16 HB2 ASP 16 -3.947 3.897 -8.650 272 HB3 ASP 16 HB1 ASP 16 -2.363 4.455 -9.163 273 H PHE 17 HN PHE 17 -4.465 3.771 -5.730 274 HA PHE 17 HA PHE 17 -4.577 0.890 -5.207 275 HB2 PHE 17 HB2 PHE 17 -4.850 3.175 -3.235 276 HB3 PHE 17 HB1 PHE 17 -5.361 1.535 -2.891 277 HD1 PHE 17 HD1 PHE 17 -3.866 -0.007 -2.045 278 HD2 PHE 17 HD2 PHE 17 -2.410 3.620 -3.709 279 HE1 PHE 17 HE1 PHE 17 -1.634 -0.498 -1.157 280 HE2 PHE 17 HE2 PHE 17 -0.175 3.138 -2.824 281 HZ PHE 17 HZ PHE 17 0.215 1.077 -1.548 282 HA PRO 18 HA PRO 18 -8.950 1.706 -5.941 283 HB2 PRO 18 HB2 PRO 18 -9.760 -0.125 -3.803 284 HB3 PRO 18 HB1 PRO 18 -9.950 -0.318 -5.546 285 HG2 PRO 18 HG2 PRO 18 -8.238 -1.831 -4.094 286 HG3 PRO 18 HG1 PRO 18 -7.929 -1.388 -5.782 287 HD2 PRO 18 HD2 PRO 18 -6.815 -0.193 -3.275 288 HD3 PRO 18 HD1 PRO 18 -5.994 -0.569 -4.806 289 H TRP 19 HN TRP 19 -10.954 2.327 -4.725 290 HA TRP 19 HA TRP 19 -10.458 4.362 -2.825 291 HB2 TRP 19 HB2 TRP 19 -12.374 4.181 -4.539 292 HB3 TRP 19 HB1 TRP 19 -13.111 3.016 -3.453 293 HD1 TRP 19 HD1 TRP 19 -12.243 6.742 -3.701 294 HE1 TRP 19 HE1 TRP 19 -13.721 8.050 -2.063 295 HE3 TRP 19 3HE TRP 19 -14.471 2.813 -1.323 296 HZ2 TRP 19 HZ2 TRP 19 -15.581 7.496 -0.023 297 HZ3 TRP 19 HZ3 TRP 19 -16.079 3.289 0.465 298 HH2 TRP 19 2HH TRP 19 -16.627 5.587 1.101 299 HA PRO 20 HA PRO 20 -11.460 5.272 -1.101 300 HB2 PRO 20 HB2 PRO 20 -11.110 5.675 1.609 301 HB3 PRO 20 HB1 PRO 20 -12.651 5.450 0.793 302 HG2 PRO 20 HG2 PRO 20 -11.452 3.664 2.663 303 HG3 PRO 20 HG1 PRO 20 -12.912 3.392 1.705 304 HD2 PRO 20 HD2 PRO 20 -10.126 2.479 1.210 305 HD3 PRO 20 HD1 PRO 20 -11.664 1.713 0.764 306 H LEU 21 HN LEU 21 -8.778 3.629 -1.116 307 HA LEU 21 HA LEU 21 -7.086 5.607 0.134 308 HB2 LEU 21 HB2 LEU 21 -6.471 3.055 -1.332 309 HB3 LEU 21 HB1 LEU 21 -5.214 4.219 -1.000 310 HG LEU 21 HG LEU 21 -5.068 2.514 0.632 311 HD11 LEU 21 HD11 LEU 21 -4.632 4.698 1.473 312 HD12 LEU 21 HD12 LEU 21 -5.391 3.698 2.717 313 HD13 LEU 21 HD13 LEU 21 -6.335 4.920 1.880 314 HD21 LEU 21 HD21 LEU 21 -7.268 1.564 0.480 315 HD22 LEU 21 HD22 LEU 21 -7.960 2.997 1.268 316 HD23 LEU 21 HD23 LEU 21 -6.861 1.936 2.161 317 H GLY 22 HN GLY 22 -7.411 4.329 -3.143 318 HA2 GLY 22 HA2 GLY 22 -7.425 5.488 -5.144 319 HA3 GLY 22 HA1 GLY 22 -7.355 6.987 -4.222 320 H HIS 23 HN HIS 23 -5.736 7.988 -5.288 321 HA HIS 23 HA HIS 23 -3.262 6.626 -5.838 322 HB2 HIS 23 HB2 HIS 23 -4.057 9.539 -6.093 323 HB3 HIS 23 HB1 HIS 23 -2.470 8.918 -6.530 324 HD1 HIS 23 HD1 HIS 23 -5.830 9.480 -7.934 325 HD2 HIS 23 HD2 HIS 23 -2.585 6.987 -8.685 326 HE1 HIS 23 HE1 HIS 23 -6.129 8.629 -10.264 327 H GLN 24 HN GLN 24 -1.675 6.387 -4.432 328 HA GLN 24 HA GLN 24 -1.667 8.173 -2.121 329 HB2 GLN 24 HB2 GLN 24 -1.140 5.244 -2.291 330 HB3 GLN 24 HB1 GLN 24 -0.473 6.212 -0.991 331 HG2 GLN 24 HG2 GLN 24 -2.733 6.859 -0.315 332 HG3 GLN 24 HG1 GLN 24 -3.401 5.858 -1.622 333 HE21 GLN 24 1HE2 GLN 24 -1.630 5.928 1.295 334 HE22 GLN 24 2HE2 GLN 24 -1.915 4.276 1.733 335 H CYS 25 HN CYS 25 0.128 9.088 -1.553 336 HA CYS 25 HA CYS 25 2.608 8.262 -2.820 337 HB2 CYS 25 HB2 CYS 25 1.582 11.041 -2.263 338 HB3 CYS 25 HB1 CYS 25 3.289 10.685 -2.513 339 H PHE 26 HN PHE 26 4.191 7.832 -1.463 340 HA PHE 26 HA PHE 26 3.546 8.133 1.367 341 HB2 PHE 26 HB2 PHE 26 5.471 6.273 -0.026 342 HB3 PHE 26 HB1 PHE 26 5.176 6.289 1.704 343 HD1 PHE 26 HD1 PHE 26 2.792 5.800 2.501 344 HD2 PHE 26 HD2 PHE 26 4.136 5.005 -1.460 345 HE1 PHE 26 HE1 PHE 26 0.928 4.229 2.186 346 HE2 PHE 26 HE2 PHE 26 2.273 3.433 -1.782 347 HZ PHE 26 HZ PHE 26 0.665 3.043 0.040 348 HA PRO 27 HA PRO 27 6.878 11.317 1.155 349 HB2 PRO 27 HB2 PRO 27 5.699 12.163 3.703 350 HB3 PRO 27 HB1 PRO 27 5.904 13.091 2.216 351 HG2 PRO 27 HG2 PRO 27 3.482 12.318 3.050 352 HG3 PRO 27 HG1 PRO 27 3.898 12.348 1.326 353 HD2 PRO 27 HD2 PRO 27 3.822 10.020 3.212 354 HD3 PRO 27 HD1 PRO 27 3.176 10.155 1.559 355 H ASP 28 HN ASP 28 5.999 9.071 3.607 356 HA ASP 28 HA ASP 28 8.650 9.371 4.862 357 HB2 ASP 28 HB2 ASP 28 6.164 7.987 5.924 358 HB3 ASP 28 HB1 ASP 28 7.712 8.064 6.748 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 -5.891 -7.889 4.670 2 HA2 GLY 1 HA2 GLY 1 -7.212 -6.070 3.929 3 HA3 GLY 1 HA1 GLY 1 -7.702 -5.787 5.600 4 H PHE 2 HN PHE 2 -7.006 -3.553 4.663 5 HA PHE 2 HA PHE 2 -4.456 -2.960 5.826 6 HB2 PHE 2 HB2 PHE 2 -3.751 -3.642 3.585 7 HB3 PHE 2 HB1 PHE 2 -4.934 -2.569 2.861 8 HD1 PHE 2 HD1 PHE 2 -4.190 -0.555 2.061 9 HD2 PHE 2 HD2 PHE 2 -2.039 -2.437 5.208 10 HE1 PHE 2 HE1 PHE 2 -2.501 1.222 1.963 11 HE2 PHE 2 HE2 PHE 2 -0.346 -0.660 5.117 12 HZ PHE 2 HZ PHE 2 -0.577 1.173 3.490 13 H CYS 3 HN CYS 3 -4.293 -0.684 6.239 14 HA CYS 3 HA CYS 3 -6.430 0.961 5.210 15 HB2 CYS 3 HB2 CYS 3 -7.136 -0.062 7.429 16 HB3 CYS 3 HB1 CYS 3 -5.833 0.858 8.172 17 H TRP 4 HN TRP 4 -5.744 2.977 4.786 18 HA TRP 4 HA TRP 4 -3.361 4.029 6.011 19 HB2 TRP 4 HB2 TRP 4 -2.503 2.668 4.081 20 HB3 TRP 4 HB1 TRP 4 -3.541 3.593 3.018 21 HD1 TRP 4 HD1 TRP 4 -2.741 5.976 2.250 22 HE1 TRP 4 HE1 TRP 4 -0.549 7.280 2.514 23 HE3 TRP 4 3HE TRP 4 -0.451 3.023 5.739 24 HZ2 TRP 4 HZ2 TRP 4 1.844 7.093 3.992 25 HZ3 TRP 4 HZ3 TRP 4 1.798 3.657 6.516 26 HH2 TRP 4 2HH TRP 4 2.918 5.647 5.661 27 H HIS 5 HN HIS 5 -3.454 6.221 6.030 28 HA HIS 5 HA HIS 5 -4.186 8.348 5.798 29 HB2 HIS 5 HB2 HIS 5 -3.620 7.811 3.372 30 HB3 HIS 5 HB1 HIS 5 -5.323 7.466 3.122 31 HD1 HIS 5 HD1 HIS 5 -6.663 9.435 2.306 32 HD2 HIS 5 HD2 HIS 5 -3.195 10.556 4.270 33 HE1 HIS 5 HE1 HIS 5 -6.514 11.929 2.062 34 H HIS 6 HN HIS 6 -5.853 6.244 6.950 35 HA HIS 6 HA HIS 6 -7.759 6.043 8.073 36 HB2 HIS 6 HB2 HIS 6 -8.247 8.864 7.127 37 HB3 HIS 6 HB1 HIS 6 -9.444 7.997 8.082 38 HD1 HIS 6 HD1 HIS 6 -9.229 8.430 10.531 39 HD2 HIS 6 HD2 HIS 6 -5.604 8.839 8.552 40 HE1 HIS 6 HE1 HIS 6 -7.558 9.134 12.283 41 H SER 7 HN SER 7 -7.446 5.469 5.165 42 HA SER 7 HA SER 7 -10.261 4.855 4.663 43 HB2 SER 7 HB2 SER 7 -7.950 5.072 2.717 44 HB3 SER 7 HB1 SER 7 -9.641 4.792 2.298 45 HG SER 7 HG SER 7 -9.897 6.879 3.601 46 H CYS 8 HN CYS 8 -10.686 2.717 4.984 47 HA CYS 8 HA CYS 8 -8.394 0.892 5.042 48 HB2 CYS 8 HB2 CYS 8 -11.096 0.575 6.355 49 HB3 CYS 8 HB1 CYS 8 -9.738 -0.523 6.515 50 H VAL 9 HN VAL 9 -8.407 -0.981 3.885 51 HA VAL 9 HA VAL 9 -10.688 -1.471 2.117 52 HB VAL 9 HB VAL 9 -8.981 -2.699 0.633 53 HG11 VAL 9 HG11 VAL 9 -8.828 0.278 0.937 54 HG12 VAL 9 HG12 VAL 9 -9.961 -0.627 -0.068 55 HG13 VAL 9 3HG1 VAL 9 -8.241 -0.613 -0.466 56 HG21 VAL 9 HG21 VAL 9 -6.645 -1.901 0.788 57 HG22 VAL 9 HG22 VAL 9 -7.140 -2.813 2.212 58 HG23 VAL 9 HG23 VAL 9 -7.058 -1.055 2.279 59 HA PRO 10 HA PRO 10 -11.179 -5.358 4.056 60 HB2 PRO 10 HB2 PRO 10 -12.332 -6.779 2.073 61 HB3 PRO 10 HB1 PRO 10 -13.175 -5.476 2.921 62 HG2 PRO 10 HG2 PRO 10 -11.776 -5.418 0.274 63 HG3 PRO 10 HG1 PRO 10 -13.357 -4.745 0.713 64 HD2 PRO 10 HD2 PRO 10 -11.138 -3.222 0.562 65 HD3 PRO 10 HD1 PRO 10 -12.426 -2.899 1.739 66 H SER 11 HN SER 11 -10.709 -7.639 3.892 67 HA SER 11 HA SER 11 -8.055 -8.255 3.282 68 HB2 SER 11 HB2 SER 11 -10.411 -10.112 3.610 69 HB3 SER 11 HB1 SER 11 -8.710 -10.477 3.908 70 HG SER 11 HG SER 11 -9.716 -10.026 5.830 71 H GLY 12 HN GLY 12 -7.117 -8.921 1.436 72 HA2 GLY 12 HA2 GLY 12 -7.197 -10.379 -0.489 73 HA3 GLY 12 HA1 GLY 12 -8.879 -9.913 -0.706 74 H THR 13 HN THR 13 -7.846 -7.086 0.045 75 HA THR 13 HA THR 13 -7.672 -6.049 -2.541 76 HB THR 13 HB THR 13 -6.679 -4.848 0.059 77 HG1 THR 13 HG1 THR 13 -8.790 -5.107 0.392 78 HG21 THR 13 HG21 THR 13 -5.823 -3.638 -1.896 79 HG22 THR 13 HG22 THR 13 -7.058 -2.677 -1.075 80 HG23 THR 13 HG23 THR 13 -7.454 -3.542 -2.555 81 H CYS 14 HN CYS 14 -5.940 -5.628 -3.888 82 HA CYS 14 HA CYS 14 -3.268 -6.263 -2.876 83 HB2 CYS 14 HB2 CYS 14 -4.328 -6.820 -5.657 84 HB3 CYS 14 HB1 CYS 14 -2.713 -7.188 -5.062 85 H ALA 15 HN ALA 15 -1.541 -5.138 -3.965 86 HA ALA 15 HA ALA 15 -2.259 -2.800 -5.526 87 HB1 ALA 15 HB1 ALA 15 -1.024 -1.301 -4.034 88 HB2 ALA 15 HB2 ALA 15 -0.775 -2.640 -2.908 89 HB3 ALA 15 HB3 ALA 15 -2.399 -2.035 -3.205 90 H ASP 16 HN ASP 16 -0.516 -2.022 -6.753 91 HA ASP 16 HA ASP 16 1.624 -3.996 -6.969 92 HB2 ASP 16 HB2 ASP 16 0.244 -3.521 -8.991 93 HB3 ASP 16 HB1 ASP 16 0.825 -1.859 -8.944 94 H PHE 17 HN PHE 17 3.329 -3.451 -5.822 95 HA PHE 17 HA PHE 17 4.080 -0.638 -5.690 96 HB2 PHE 17 HB2 PHE 17 4.886 -2.982 -3.952 97 HB3 PHE 17 HB1 PHE 17 5.440 -1.334 -3.755 98 HD1 PHE 17 HD1 PHE 17 3.803 0.434 -3.164 99 HD2 PHE 17 HD2 PHE 17 2.839 -3.706 -3.031 100 HE1 PHE 17 HE1 PHE 17 1.953 0.923 -1.669 101 HE2 PHE 17 HE2 PHE 17 0.975 -3.231 -1.522 102 HZ PHE 17 HZ PHE 17 0.519 -0.912 -0.831 103 HA PRO 18 HA PRO 18 7.703 -1.760 -7.972 104 HB2 PRO 18 HB2 PRO 18 9.504 0.064 -7.140 105 HB3 PRO 18 HB1 PRO 18 8.119 0.500 -8.143 106 HG2 PRO 18 HG2 PRO 18 8.552 0.909 -5.235 107 HG3 PRO 18 HG1 PRO 18 7.677 1.919 -6.395 108 HD2 PRO 18 HD2 PRO 18 6.559 0.123 -4.583 109 HD3 PRO 18 HD1 PRO 18 5.705 0.823 -5.956 110 H TRP 19 HN TRP 19 10.015 -2.326 -7.711 111 HA TRP 19 HA TRP 19 10.543 -4.224 -5.726 112 HB2 TRP 19 HB2 TRP 19 11.672 -4.399 -7.820 113 HB3 TRP 19 HB1 TRP 19 12.290 -2.760 -7.704 114 HD1 TRP 19 HD1 TRP 19 14.137 -2.380 -6.076 115 HE1 TRP 19 HE1 TRP 19 16.157 -3.857 -5.207 116 HE3 TRP 19 3HE TRP 19 12.192 -6.850 -7.094 117 HZ2 TRP 19 HZ2 TRP 19 16.705 -6.590 -4.995 118 HZ3 TRP 19 HZ3 TRP 19 13.445 -8.858 -6.490 119 HH2 TRP 19 2HH TRP 19 15.654 -8.747 -5.485 120 HA PRO 20 HA PRO 20 12.015 -5.136 -4.741 121 HB2 PRO 20 HB2 PRO 20 12.478 -5.537 -1.862 122 HB3 PRO 20 HB1 PRO 20 13.498 -5.984 -3.238 123 HG2 PRO 20 HG2 PRO 20 14.227 -4.010 -1.667 124 HG3 PRO 20 HG1 PRO 20 14.347 -3.942 -3.455 125 HD2 PRO 20 HD2 PRO 20 12.080 -2.818 -1.763 126 HD3 PRO 20 HD1 PRO 20 13.142 -1.907 -2.870 127 H LEU 21 HN LEU 21 9.636 -3.473 -3.367 128 HA LEU 21 HA LEU 21 8.438 -5.264 -1.499 129 HB2 LEU 21 HB2 LEU 21 8.261 -2.770 -1.504 130 HB3 LEU 21 HB1 LEU 21 7.218 -2.888 -2.901 131 HG LEU 21 HG LEU 21 5.513 -4.016 -1.549 132 HD11 LEU 21 HD11 LEU 21 5.855 -4.182 0.872 133 HD12 LEU 21 HD12 LEU 21 7.542 -3.704 0.656 134 HD13 LEU 21 HD13 LEU 21 6.940 -5.216 -0.041 135 HD21 LEU 21 HD21 LEU 21 6.606 -1.556 -0.209 136 HD22 LEU 21 HD22 LEU 21 4.966 -2.195 -0.067 137 HD23 LEU 21 HD23 LEU 21 5.540 -1.576 -1.615 138 H GLY 22 HN GLY 22 7.512 -4.183 -4.758 139 HA2 GLY 22 HA2 GLY 22 6.730 -5.483 -6.521 140 HA3 GLY 22 HA1 GLY 22 6.761 -6.881 -5.460 141 H HIS 23 HN HIS 23 4.723 -7.323 -6.601 142 HA HIS 23 HA HIS 23 2.486 -5.630 -5.890 143 HB2 HIS 23 HB2 HIS 23 2.752 -6.821 -8.153 144 HB3 HIS 23 HB1 HIS 23 2.380 -8.310 -7.296 145 HD1 HIS 23 HD1 HIS 23 0.830 -5.496 -8.990 146 HD2 HIS 23 HD2 HIS 23 -0.304 -8.261 -6.111 147 HE1 HIS 23 HE1 HIS 23 -1.712 -5.445 -8.912 148 H GLN 24 HN GLN 24 1.444 -5.907 -4.051 149 HA GLN 24 HA GLN 24 1.624 -8.521 -2.768 150 HB2 GLN 24 HB2 GLN 24 1.956 -5.821 -1.515 151 HB3 GLN 24 HB1 GLN 24 1.575 -7.256 -0.580 152 HG2 GLN 24 HG2 GLN 24 3.624 -8.305 -1.292 153 HG3 GLN 24 HG1 GLN 24 4.010 -6.915 -2.317 154 HE21 GLN 24 1HE2 GLN 24 5.406 -8.118 -0.041 155 HE22 GLN 24 2HE2 GLN 24 5.607 -6.822 1.103 156 H CYS 25 HN CYS 25 -0.033 -9.054 -1.363 157 HA CYS 25 HA CYS 25 -2.501 -7.572 -1.751 158 HB2 CYS 25 HB2 CYS 25 -2.097 -10.567 -1.574 159 HB3 CYS 25 HB1 CYS 25 -3.667 -9.764 -1.596 160 H PHE 26 HN PHE 26 -3.774 -7.376 0.015 161 HA PHE 26 HA PHE 26 -2.344 -7.717 2.539 162 HB2 PHE 26 HB2 PHE 26 -4.799 -6.059 1.944 163 HB3 PHE 26 HB1 PHE 26 -3.784 -5.972 3.381 164 HD1 PHE 26 HD1 PHE 26 -1.290 -5.351 2.981 165 HD2 PHE 26 HD2 PHE 26 -4.390 -4.623 0.163 166 HE1 PHE 26 HE1 PHE 26 0.104 -3.645 1.892 167 HE2 PHE 26 HE2 PHE 26 -3.004 -2.919 -0.931 168 HZ PHE 26 HZ PHE 26 -0.750 -2.428 -0.067 169 HA PRO 27 HA PRO 27 -5.150 -11.295 2.881 170 HB2 PRO 27 HB2 PRO 27 -3.588 -11.761 5.340 171 HB3 PRO 27 HB1 PRO 27 -3.850 -12.833 3.963 172 HG2 PRO 27 HG2 PRO 27 -1.488 -11.683 4.356 173 HG3 PRO 27 HG1 PRO 27 -2.150 -11.876 2.725 174 HD2 PRO 27 HD2 PRO 27 -2.083 -9.426 4.453 175 HD3 PRO 27 HD1 PRO 27 -1.743 -9.609 2.716 176 H ASP 28 HN ASP 28 -4.282 -9.271 5.655 177 HA ASP 28 HA ASP 28 -6.852 -9.941 6.886 178 HB2 ASP 28 HB2 ASP 28 -5.965 -8.963 8.914 179 HB3 ASP 28 HB1 ASP 28 -4.788 -10.098 8.270 180 H1 GLY 1 HN GLY 1 6.836 7.323 2.561 181 HA2 GLY 1 HA2 GLY 1 7.991 5.608 1.390 182 HA3 GLY 1 HA1 GLY 1 8.933 5.285 2.853 183 H PHE 2 HN PHE 2 8.029 3.006 2.122 184 HA PHE 2 HA PHE 2 5.804 2.516 3.892 185 HB2 PHE 2 HB2 PHE 2 4.669 3.046 1.760 186 HB3 PHE 2 HB1 PHE 2 5.603 1.798 0.953 187 HD1 PHE 2 HD1 PHE 2 4.706 -0.310 0.749 188 HD2 PHE 2 HD2 PHE 2 3.218 2.270 3.770 189 HE1 PHE 2 HE1 PHE 2 2.966 -1.964 1.294 190 HE2 PHE 2 HE2 PHE 2 1.478 0.630 4.325 191 HZ PHE 2 HZ PHE 2 1.349 -1.493 3.085 192 H CYS 3 HN CYS 3 5.704 0.381 4.600 193 HA CYS 3 HA CYS 3 7.704 -1.471 3.572 194 HB2 CYS 3 HB2 CYS 3 7.351 -0.697 6.481 195 HB3 CYS 3 HB1 CYS 3 8.331 -2.039 5.913 196 H TRP 4 HN TRP 4 6.923 -3.510 3.457 197 HA TRP 4 HA TRP 4 4.812 -4.357 5.203 198 HB2 TRP 4 HB2 TRP 4 3.603 -3.273 3.298 199 HB3 TRP 4 HB1 TRP 4 4.366 -4.407 2.200 200 HD1 TRP 4 HD1 TRP 4 3.415 -6.938 2.205 201 HE1 TRP 4 HE1 TRP 4 1.229 -7.940 3.084 202 HE3 TRP 4 3HE TRP 4 1.889 -3.076 5.186 203 HZ2 TRP 4 HZ2 TRP 4 -0.873 -7.208 4.811 204 HZ3 TRP 4 HZ3 TRP 4 -0.228 -3.311 6.414 205 HH2 TRP 4 2HH TRP 4 -1.576 -5.336 6.224 206 H HIS 5 HN HIS 5 5.216 -6.305 5.774 207 HA HIS 5 HA HIS 5 6.235 -8.239 6.107 208 HB2 HIS 5 HB2 HIS 5 4.544 -8.843 4.312 209 HB3 HIS 5 HB1 HIS 5 5.850 -8.737 3.143 210 HD1 HIS 5 HD1 HIS 5 6.461 -11.104 2.523 211 HD2 HIS 5 HD2 HIS 5 5.709 -10.690 6.583 212 HE1 HIS 5 HE1 HIS 5 6.908 -13.352 3.545 213 H HIS 6 HN HIS 6 8.056 -6.675 6.355 214 HA HIS 6 HA HIS 6 10.288 -6.410 6.499 215 HB2 HIS 6 HB2 HIS 6 10.319 -9.121 5.169 216 HB3 HIS 6 HB1 HIS 6 11.786 -8.296 5.665 217 HD1 HIS 6 HD1 HIS 6 12.605 -9.396 7.764 218 HD2 HIS 6 HD2 HIS 6 8.459 -9.063 7.675 219 HE1 HIS 6 HE1 HIS 6 11.783 -10.335 9.945 220 H SER 7 HN SER 7 8.765 -5.755 3.825 221 HA SER 7 HA SER 7 11.224 -5.211 2.306 222 HB2 SER 7 HB2 SER 7 8.448 -5.669 1.219 223 HB3 SER 7 HB1 SER 7 9.918 -5.456 0.264 224 HG SER 7 HG SER 7 9.450 -7.521 2.139 225 H CYS 8 HN CYS 8 11.565 -3.067 1.833 226 HA CYS 8 HA CYS 8 9.348 -1.219 2.384 227 HB2 CYS 8 HB2 CYS 8 12.277 -0.851 3.021 228 HB3 CYS 8 HB1 CYS 8 11.061 0.411 3.154 229 H VAL 9 HN VAL 9 9.205 0.622 1.181 230 HA VAL 9 HA VAL 9 10.957 0.823 -1.152 231 HB VAL 9 HB VAL 9 9.076 2.013 -2.341 232 HG11 VAL 9 HG11 VAL 9 8.513 -0.801 -1.489 233 HG12 VAL 9 HG12 VAL 9 9.536 -0.301 -2.840 234 HG13 VAL 9 3HG1 VAL 9 7.795 -0.005 -2.887 235 HG21 VAL 9 HG21 VAL 9 7.749 2.676 -0.400 236 HG22 VAL 9 HG22 VAL 9 7.407 0.981 -0.047 237 HG23 VAL 9 HG23 VAL 9 6.776 1.719 -1.520 238 HA PRO 10 HA PRO 10 12.345 4.630 0.366 239 HB2 PRO 10 HB2 PRO 10 12.570 6.102 -1.941 240 HB3 PRO 10 HB1 PRO 10 13.732 4.887 -1.403 241 HG2 PRO 10 HG2 PRO 10 11.484 4.608 -3.362 242 HG3 PRO 10 HG1 PRO 10 13.147 4.006 -3.482 243 HD2 PRO 10 HD2 PRO 10 11.157 2.385 -2.800 244 HD3 PRO 10 HD1 PRO 10 12.744 2.251 -2.014 245 H SER 11 HN SER 11 11.798 6.711 0.878 246 HA SER 11 HA SER 11 9.092 7.424 1.009 247 HB2 SER 11 HB2 SER 11 11.541 9.150 1.348 248 HB3 SER 11 HB1 SER 11 9.958 9.372 2.101 249 HG SER 11 HG SER 11 10.280 7.529 3.312 250 H GLY 12 HN GLY 12 7.856 8.456 -0.472 251 HA2 GLY 12 HA2 GLY 12 7.656 10.297 -2.033 252 HA3 GLY 12 HA1 GLY 12 9.235 9.844 -2.669 253 H THR 13 HN THR 13 8.034 6.964 -2.086 254 HA THR 13 HA THR 13 7.262 6.429 -4.759 255 HB THR 13 HB THR 13 6.889 4.734 -2.267 256 HG1 THR 13 HG1 THR 13 9.030 4.983 -2.476 257 HG21 THR 13 HG21 THR 13 5.496 3.964 -4.144 258 HG22 THR 13 HG22 THR 13 6.813 2.830 -3.838 259 HG23 THR 13 HG23 THR 13 6.911 3.949 -5.194 260 H CYS 14 HN CYS 14 5.307 6.753 -5.639 261 HA CYS 14 HA CYS 14 3.062 7.079 -3.838 262 HB2 CYS 14 HB2 CYS 14 3.306 7.918 -6.739 263 HB3 CYS 14 HB1 CYS 14 1.962 8.291 -5.671 264 H ALA 15 HN ALA 15 1.145 5.754 -4.149 265 HA ALA 15 HA ALA 15 1.475 3.671 -6.161 266 HB1 ALA 15 HB1 ALA 15 0.839 1.964 -4.568 267 HB2 ALA 15 HB2 ALA 15 0.738 3.172 -3.288 268 HB3 ALA 15 HB3 ALA 15 2.295 2.801 -4.032 269 H ASP 16 HN ASP 16 -0.322 2.851 -6.998 270 HA ASP 16 HA ASP 16 -2.781 4.337 -6.610 271 HB2 ASP 16 HB2 ASP 16 -2.149 3.916 -8.897 272 HB3 ASP 16 HB1 ASP 16 -1.946 2.199 -8.581 273 H PHE 17 HN PHE 17 -4.338 3.632 -5.287 274 HA PHE 17 HA PHE 17 -4.494 0.768 -4.692 275 HB2 PHE 17 HB2 PHE 17 -5.021 3.169 -2.948 276 HB3 PHE 17 HB1 PHE 17 -5.653 1.579 -2.568 277 HD1 PHE 17 HD1 PHE 17 -4.138 -0.225 -1.999 278 HD2 PHE 17 HD2 PHE 17 -2.784 3.755 -2.554 279 HE1 PHE 17 HE1 PHE 17 -2.099 -0.774 -0.790 280 HE2 PHE 17 HE2 PHE 17 -0.714 3.225 -1.346 281 HZ PHE 17 HZ PHE 17 -0.373 0.935 -0.448 282 HA PRO 18 HA PRO 18 -8.702 1.229 -6.052 283 HB2 PRO 18 HB2 PRO 18 -9.953 -0.648 -4.524 284 HB3 PRO 18 HB1 PRO 18 -8.958 -1.072 -5.919 285 HG2 PRO 18 HG2 PRO 18 -8.303 -1.178 -3.018 286 HG3 PRO 18 HG1 PRO 18 -7.839 -2.284 -4.321 287 HD2 PRO 18 HD2 PRO 18 -6.196 -0.371 -3.261 288 HD3 PRO 18 HD1 PRO 18 -6.007 -1.017 -4.894 289 H TRP 19 HN TRP 19 -10.900 1.600 -5.061 290 HA TRP 19 HA TRP 19 -10.850 3.691 -3.198 291 HB2 TRP 19 HB2 TRP 19 -12.656 3.216 -4.922 292 HB3 TRP 19 HB1 TRP 19 -13.204 1.896 -3.900 293 HD1 TRP 19 HD1 TRP 19 -12.982 5.723 -3.959 294 HE1 TRP 19 HE1 TRP 19 -14.695 6.670 -2.313 295 HE3 TRP 19 3HE TRP 19 -14.589 1.364 -1.889 296 HZ2 TRP 19 HZ2 TRP 19 -16.516 5.702 -0.403 297 HZ3 TRP 19 HZ3 TRP 19 -16.332 1.451 -0.152 298 HH2 TRP 19 2HH TRP 19 -17.271 3.582 0.578 299 HA PRO 20 HA PRO 20 -11.988 4.524 -1.581 300 HB2 PRO 20 HB2 PRO 20 -11.933 5.271 0.989 301 HB3 PRO 20 HB1 PRO 20 -13.293 4.420 0.258 302 HG2 PRO 20 HG2 PRO 20 -11.327 3.441 2.207 303 HG3 PRO 20 HG1 PRO 20 -12.914 2.792 1.780 304 HD2 PRO 20 HD2 PRO 20 -10.299 1.936 0.862 305 HD3 PRO 20 HD1 PRO 20 -11.877 1.185 0.565 306 H LEU 21 HN LEU 21 -9.012 3.242 -1.038 307 HA LEU 21 HA LEU 21 -7.738 5.545 0.122 308 HB2 LEU 21 HB2 LEU 21 -6.593 3.116 -1.224 309 HB3 LEU 21 HB1 LEU 21 -5.581 4.472 -0.801 310 HG LEU 21 HG LEU 21 -6.276 4.121 1.582 311 HD11 LEU 21 HD11 LEU 21 -7.334 1.550 0.479 312 HD12 LEU 21 HD12 LEU 21 -8.294 2.842 1.220 313 HD13 LEU 21 HD13 LEU 21 -7.128 1.928 2.190 314 HD21 LEU 21 HD21 LEU 21 -4.779 2.215 1.919 315 HD22 LEU 21 HD22 LEU 21 -4.130 3.400 0.786 316 HD23 LEU 21 HD23 LEU 21 -4.825 1.894 0.186 317 H GLY 22 HN GLY 22 -7.861 4.195 -3.123 318 HA2 GLY 22 HA2 GLY 22 -7.731 5.294 -5.154 319 HA3 GLY 22 HA1 GLY 22 -7.687 6.828 -4.276 320 H HIS 23 HN HIS 23 -5.897 7.670 -5.411 321 HA HIS 23 HA HIS 23 -3.490 6.071 -5.383 322 HB2 HIS 23 HB2 HIS 23 -4.173 7.651 -7.310 323 HB3 HIS 23 HB1 HIS 23 -3.668 8.958 -6.248 324 HD1 HIS 23 HD1 HIS 23 -2.368 6.718 -8.775 325 HD2 HIS 23 HD2 HIS 23 -0.845 8.651 -5.433 326 HE1 HIS 23 HE1 HIS 23 0.139 6.652 -9.008 327 H GLN 24 HN GLN 24 -2.263 6.016 -3.668 328 HA GLN 24 HA GLN 24 -2.201 8.349 -1.902 329 HB2 GLN 24 HB2 GLN 24 -2.118 5.419 -1.186 330 HB3 GLN 24 HB1 GLN 24 -1.652 6.695 -0.071 331 HG2 GLN 24 HG2 GLN 24 -4.359 6.376 -1.342 332 HG3 GLN 24 HG1 GLN 24 -3.940 5.956 0.322 333 HE21 GLN 24 1HE2 GLN 24 -5.887 7.879 -0.707 334 HE22 GLN 24 2HE2 GLN 24 -5.445 9.399 -0.011 335 H CYS 25 HN CYS 25 -0.257 9.172 -1.512 336 HA CYS 25 HA CYS 25 1.922 7.599 -2.555 337 HB2 CYS 25 HB2 CYS 25 1.510 9.827 -3.646 338 HB3 CYS 25 HB1 CYS 25 1.894 10.591 -2.106 339 H PHE 26 HN PHE 26 3.872 7.471 -1.335 340 HA PHE 26 HA PHE 26 3.322 7.730 1.533 341 HB2 PHE 26 HB2 PHE 26 5.338 5.965 0.149 342 HB3 PHE 26 HB1 PHE 26 4.911 5.944 1.852 343 HD1 PHE 26 HD1 PHE 26 2.507 5.327 2.441 344 HD2 PHE 26 HD2 PHE 26 4.255 4.613 -1.359 345 HE1 PHE 26 HE1 PHE 26 0.805 3.621 1.982 346 HE2 PHE 26 HE2 PHE 26 2.564 2.916 -1.828 347 HZ PHE 26 HZ PHE 26 0.832 2.415 -0.153 348 HA PRO 27 HA PRO 27 6.636 10.840 0.872 349 HB2 PRO 27 HB2 PRO 27 5.659 11.958 3.394 350 HB3 PRO 27 HB1 PRO 27 5.726 12.718 1.803 351 HG2 PRO 27 HG2 PRO 27 3.389 12.029 2.980 352 HG3 PRO 27 HG1 PRO 27 3.619 12.003 1.224 353 HD2 PRO 27 HD2 PRO 27 3.653 9.736 3.174 354 HD3 PRO 27 HD1 PRO 27 2.937 9.822 1.548 355 H ASP 28 HN ASP 28 5.672 8.993 3.596 356 HA ASP 28 HA ASP 28 8.156 9.223 5.061 357 HB2 ASP 28 HB2 ASP 28 5.741 7.434 5.433 358 HB3 ASP 28 HB1 ASP 28 7.108 7.511 6.531 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 -6.256 -7.452 4.174 2 HA2 GLY 1 HA2 GLY 1 -7.162 -5.608 3.110 3 HA3 GLY 1 HA1 GLY 1 -7.839 -5.081 4.648 4 H PHE 2 HN PHE 2 -6.752 -3.197 3.172 5 HA PHE 2 HA PHE 2 -4.202 -2.720 4.538 6 HB2 PHE 2 HB2 PHE 2 -3.713 -3.133 2.170 7 HB3 PHE 2 HB1 PHE 2 -4.853 -1.884 1.698 8 HD1 PHE 2 HD1 PHE 2 -3.983 0.171 1.139 9 HD2 PHE 2 HD2 PHE 2 -1.844 -2.277 3.877 10 HE1 PHE 2 HE1 PHE 2 -2.181 1.840 1.216 11 HE2 PHE 2 HE2 PHE 2 -0.038 -0.613 3.959 12 HZ PHE 2 HZ PHE 2 -0.203 1.449 2.628 13 H CYS 3 HN CYS 3 -4.157 -0.984 5.699 14 HA CYS 3 HA CYS 3 -6.270 0.989 5.317 15 HB2 CYS 3 HB2 CYS 3 -4.964 0.075 7.878 16 HB3 CYS 3 HB1 CYS 3 -6.147 1.369 7.743 17 H TRP 4 HN TRP 4 -5.611 2.931 4.917 18 HA TRP 4 HA TRP 4 -3.211 3.989 6.010 19 HB2 TRP 4 HB2 TRP 4 -2.455 2.764 3.934 20 HB3 TRP 4 HB1 TRP 4 -3.516 3.797 2.993 21 HD1 TRP 4 HD1 TRP 4 -2.670 6.305 2.550 22 HE1 TRP 4 HE1 TRP 4 -0.401 7.453 2.842 23 HE3 TRP 4 3HE TRP 4 -0.370 2.773 5.444 24 HZ2 TRP 4 HZ2 TRP 4 2.065 6.928 4.148 25 HZ3 TRP 4 HZ3 TRP 4 1.947 3.172 6.169 26 HH2 TRP 4 2HH TRP 4 3.135 5.204 5.532 27 H HIS 5 HN HIS 5 -3.455 6.200 6.143 28 HA HIS 5 HA HIS 5 -4.431 8.247 6.108 29 HB2 HIS 5 HB2 HIS 5 -4.136 7.952 3.605 30 HB3 HIS 5 HB1 HIS 5 -5.766 7.307 3.531 31 HD1 HIS 5 HD1 HIS 5 -7.195 9.071 2.450 32 HD2 HIS 5 HD2 HIS 5 -4.433 10.666 5.107 33 HE1 HIS 5 HE1 HIS 5 -7.584 11.553 2.444 34 H HIS 6 HN HIS 6 -5.661 5.835 7.284 35 HA HIS 6 HA HIS 6 -7.318 5.319 8.652 36 HB2 HIS 6 HB2 HIS 6 -8.470 8.051 8.013 37 HB3 HIS 6 HB1 HIS 6 -9.143 6.956 9.214 38 HD1 HIS 6 HD1 HIS 6 -7.786 6.685 11.449 39 HD2 HIS 6 HD2 HIS 6 -6.159 9.385 8.751 40 HE1 HIS 6 HE1 HIS 6 -6.031 7.964 12.723 41 H SER 7 HN SER 7 -7.491 5.193 5.559 42 HA SER 7 HA SER 7 -10.258 4.240 5.498 43 HB2 SER 7 HB2 SER 7 -8.405 5.165 3.306 44 HB3 SER 7 HB1 SER 7 -10.020 4.543 2.995 45 HG SER 7 HG SER 7 -10.018 6.462 4.906 46 H CYS 8 HN CYS 8 -10.573 2.105 4.542 47 HA CYS 8 HA CYS 8 -8.087 0.549 4.293 48 HB2 CYS 8 HB2 CYS 8 -10.576 -0.333 5.741 49 HB3 CYS 8 HB1 CYS 8 -9.127 -1.293 5.495 50 H VAL 9 HN VAL 9 -8.057 -0.804 2.631 51 HA VAL 9 HA VAL 9 -10.517 -1.213 1.145 52 HB VAL 9 HB VAL 9 -9.109 -2.506 -0.511 53 HG11 VAL 9 HG11 VAL 9 -7.949 -0.581 -1.448 54 HG12 VAL 9 HG12 VAL 9 -8.127 0.259 0.091 55 HG13 VAL 9 3HG1 VAL 9 -9.558 -0.143 -0.862 56 HG21 VAL 9 HG21 VAL 9 -6.818 -1.569 1.209 57 HG22 VAL 9 HG22 VAL 9 -6.658 -2.348 -0.368 58 HG23 VAL 9 HG23 VAL 9 -7.332 -3.242 0.997 59 HA PRO 10 HA PRO 10 -11.592 -4.892 3.203 60 HB2 PRO 10 HB2 PRO 10 -12.215 -6.177 0.615 61 HB3 PRO 10 HB1 PRO 10 -13.274 -5.844 1.989 62 HG2 PRO 10 HG2 PRO 10 -13.462 -4.425 -0.254 63 HG3 PRO 10 HG1 PRO 10 -13.657 -3.664 1.334 64 HD2 PRO 10 HD2 PRO 10 -11.294 -3.642 -0.499 65 HD3 PRO 10 HD1 PRO 10 -11.992 -2.320 0.460 66 H SER 11 HN SER 11 -10.990 -6.996 3.675 67 HA SER 11 HA SER 11 -8.396 -7.792 3.075 68 HB2 SER 11 HB2 SER 11 -10.707 -9.420 4.138 69 HB3 SER 11 HB1 SER 11 -8.984 -9.712 4.404 70 HG SER 11 HG SER 11 -10.177 -8.593 6.109 71 H GLY 12 HN GLY 12 -7.636 -8.951 1.384 72 HA2 GLY 12 HA2 GLY 12 -7.940 -10.867 -0.101 73 HA3 GLY 12 HA1 GLY 12 -9.592 -10.307 -0.355 74 H THR 13 HN THR 13 -8.291 -7.517 -0.229 75 HA THR 13 HA THR 13 -8.128 -7.114 -3.040 76 HB THR 13 HB THR 13 -7.297 -5.234 -0.810 77 HG1 THR 13 HG1 THR 13 -9.363 -5.559 -0.377 78 HG21 THR 13 HG21 THR 13 -6.550 -4.548 -3.055 79 HG22 THR 13 HG22 THR 13 -7.794 -3.470 -2.423 80 HG23 THR 13 HG23 THR 13 -8.210 -4.675 -3.642 81 H CYS 14 HN CYS 14 -6.340 -7.327 -4.300 82 HA CYS 14 HA CYS 14 -3.795 -7.497 -2.942 83 HB2 CYS 14 HB2 CYS 14 -4.508 -8.351 -5.762 84 HB3 CYS 14 HB1 CYS 14 -2.966 -8.615 -4.959 85 H ALA 15 HN ALA 15 -1.953 -6.302 -3.856 86 HA ALA 15 HA ALA 15 -2.551 -4.137 -5.675 87 HB1 ALA 15 HB1 ALA 15 -1.754 -3.654 -2.821 88 HB2 ALA 15 HB2 ALA 15 -3.315 -3.229 -3.533 89 HB3 ALA 15 HB3 ALA 15 -1.836 -2.419 -4.069 90 H ASP 16 HN ASP 16 -0.705 -3.574 -6.736 91 HA ASP 16 HA ASP 16 1.708 -4.964 -5.873 92 HB2 ASP 16 HB2 ASP 16 2.600 -4.713 -8.084 93 HB3 ASP 16 HB1 ASP 16 0.943 -5.269 -8.249 94 H PHE 17 HN PHE 17 3.612 -4.019 -5.589 95 HA PHE 17 HA PHE 17 3.725 -1.095 -5.350 96 HB2 PHE 17 HB2 PHE 17 4.665 -3.217 -3.403 97 HB3 PHE 17 HB1 PHE 17 5.206 -1.550 -3.329 98 HD1 PHE 17 HD1 PHE 17 3.865 0.109 -2.343 99 HD2 PHE 17 HD2 PHE 17 2.310 -3.796 -2.961 100 HE1 PHE 17 HE1 PHE 17 1.964 0.645 -0.894 101 HE2 PHE 17 HE2 PHE 17 0.397 -3.268 -1.523 102 HZ PHE 17 HZ PHE 17 0.222 -1.034 -0.483 103 HA PRO 18 HA PRO 18 7.679 -1.647 -7.455 104 HB2 PRO 18 HB2 PRO 18 8.900 0.116 -5.406 105 HB3 PRO 18 HB1 PRO 18 8.866 0.312 -7.162 106 HG2 PRO 18 HG2 PRO 18 7.356 1.853 -5.633 107 HG3 PRO 18 HG1 PRO 18 6.703 1.186 -7.141 108 HD2 PRO 18 HD2 PRO 18 6.276 0.248 -4.326 109 HD3 PRO 18 HD1 PRO 18 5.090 0.466 -5.633 110 H TRP 19 HN TRP 19 9.950 -2.278 -7.016 111 HA TRP 19 HA TRP 19 10.282 -4.447 -5.259 112 HB2 TRP 19 HB2 TRP 19 11.617 -4.374 -7.223 113 HB3 TRP 19 HB1 TRP 19 12.144 -2.733 -6.898 114 HD1 TRP 19 HD1 TRP 19 13.811 -2.449 -5.046 115 HE1 TRP 19 HE1 TRP 19 15.839 -3.886 -4.207 116 HE3 TRP 19 3HE TRP 19 12.241 -6.859 -6.765 117 HZ2 TRP 19 HZ2 TRP 19 16.556 -6.613 -4.284 118 HZ3 TRP 19 HZ3 TRP 19 13.577 -8.852 -6.311 119 HH2 TRP 19 2HH TRP 19 15.690 -8.746 -5.119 120 HA PRO 20 HA PRO 20 11.827 -5.458 -4.232 121 HB2 PRO 20 HB2 PRO 20 11.896 -6.122 -1.362 122 HB3 PRO 20 HB1 PRO 20 13.094 -6.448 -2.624 123 HG2 PRO 20 HG2 PRO 20 13.609 -4.605 -0.848 124 HG3 PRO 20 HG1 PRO 20 13.889 -4.362 -2.602 125 HD2 PRO 20 HD2 PRO 20 11.439 -3.458 -1.037 126 HD3 PRO 20 HD1 PRO 20 12.575 -2.423 -1.944 127 H LEU 21 HN LEU 21 9.063 -4.183 -3.311 128 HA LEU 21 HA LEU 21 7.805 -6.404 -1.981 129 HB2 LEU 21 HB2 LEU 21 6.688 -3.826 -3.069 130 HB3 LEU 21 HB1 LEU 21 5.667 -5.081 -2.409 131 HG LEU 21 HG LEU 21 5.912 -3.382 -0.775 132 HD11 LEU 21 HD11 LEU 21 6.929 -4.570 1.095 133 HD12 LEU 21 HD12 LEU 21 7.598 -5.740 -0.037 134 HD13 LEU 21 HD13 LEU 21 5.849 -5.571 0.127 135 HD21 LEU 21 HD21 LEU 21 8.905 -3.680 -1.010 136 HD22 LEU 21 HD22 LEU 21 8.049 -2.640 0.136 137 HD23 LEU 21 HD23 LEU 21 7.944 -2.325 -1.597 138 H GLY 22 HN GLY 22 6.925 -4.762 -4.998 139 HA2 GLY 22 HA2 GLY 22 6.415 -5.763 -7.041 140 HA3 GLY 22 HA1 GLY 22 6.653 -7.347 -6.291 141 H HIS 23 HN HIS 23 4.687 -8.222 -6.928 142 HA HIS 23 HA HIS 23 2.301 -6.784 -6.251 143 HB2 HIS 23 HB2 HIS 23 1.037 -8.767 -7.103 144 HB3 HIS 23 HB1 HIS 23 2.175 -8.126 -8.262 145 HD1 HIS 23 HD1 HIS 23 4.079 -9.705 -9.033 146 HD2 HIS 23 HD2 HIS 23 1.631 -11.333 -6.099 147 HE1 HIS 23 HE1 HIS 23 4.637 -12.148 -8.936 148 H GLN 24 HN GLN 24 1.357 -6.706 -4.372 149 HA GLN 24 HA GLN 24 1.902 -8.814 -2.399 150 HB2 GLN 24 HB2 GLN 24 1.317 -5.867 -1.991 151 HB3 GLN 24 HB1 GLN 24 1.497 -7.038 -0.700 152 HG2 GLN 24 HG2 GLN 24 3.652 -6.252 -2.657 153 HG3 GLN 24 HG1 GLN 24 3.491 -5.632 -1.016 154 HE21 GLN 24 1HE2 GLN 24 2.698 -8.227 0.088 155 HE22 GLN 24 2HE2 GLN 24 4.095 -9.211 0.089 156 H CYS 25 HN CYS 25 0.020 -9.111 -0.872 157 HA CYS 25 HA CYS 25 -2.417 -7.998 -1.879 158 HB2 CYS 25 HB2 CYS 25 -2.083 -10.269 -2.966 159 HB3 CYS 25 HB1 CYS 25 -2.220 -10.977 -1.358 160 H PHE 26 HN PHE 26 -4.075 -7.877 -0.281 161 HA PHE 26 HA PHE 26 -2.857 -8.053 2.368 162 HB2 PHE 26 HB2 PHE 26 -4.925 -6.132 1.330 163 HB3 PHE 26 HB1 PHE 26 -4.320 -6.162 2.980 164 HD1 PHE 26 HD1 PHE 26 -1.784 -5.878 3.283 165 HD2 PHE 26 HD2 PHE 26 -3.864 -4.853 -0.280 166 HE1 PHE 26 HE1 PHE 26 0.062 -4.402 2.637 167 HE2 PHE 26 HE2 PHE 26 -2.021 -3.369 -0.927 168 HZ PHE 26 HZ PHE 26 -0.048 -3.148 0.534 169 HA PRO 27 HA PRO 27 -6.302 -10.991 2.885 170 HB2 PRO 27 HB2 PRO 27 -5.180 -12.393 4.887 171 HB3 PRO 27 HB1 PRO 27 -4.683 -12.612 3.207 172 HG2 PRO 27 HG2 PRO 27 -3.370 -11.015 5.366 173 HG3 PRO 27 HG1 PRO 27 -2.632 -12.113 4.186 174 HD2 PRO 27 HD2 PRO 27 -2.647 -9.415 3.908 175 HD3 PRO 27 HD1 PRO 27 -2.646 -10.522 2.523 176 H ASP 28 HN ASP 28 -4.893 -8.697 4.984 177 HA ASP 28 HA ASP 28 -7.172 -8.909 6.849 178 HB2 ASP 28 HB2 ASP 28 -4.860 -9.199 7.837 179 HB3 ASP 28 HB1 ASP 28 -4.478 -7.575 7.294 180 H1 GLY 1 HN GLY 1 7.438 7.465 2.503 181 HA2 GLY 1 HA2 GLY 1 8.082 5.616 1.248 182 HA3 GLY 1 HA1 GLY 1 9.309 5.250 2.457 183 H PHE 2 HN PHE 2 8.236 3.074 1.952 184 HA PHE 2 HA PHE 2 6.216 2.626 4.002 185 HB2 PHE 2 HB2 PHE 2 4.908 3.011 1.976 186 HB3 PHE 2 HB1 PHE 2 5.866 1.836 1.099 187 HD1 PHE 2 HD1 PHE 2 5.028 -0.295 0.852 188 HD2 PHE 2 HD2 PHE 2 3.692 2.088 4.119 189 HE1 PHE 2 HE1 PHE 2 3.407 -2.033 1.451 190 HE2 PHE 2 HE2 PHE 2 2.070 0.343 4.728 191 HZ PHE 2 HZ PHE 2 1.926 -1.722 3.391 192 H CYS 3 HN CYS 3 6.400 0.653 4.939 193 HA CYS 3 HA CYS 3 8.364 -1.179 3.808 194 HB2 CYS 3 HB2 CYS 3 8.013 -0.419 6.714 195 HB3 CYS 3 HB1 CYS 3 9.054 -1.705 6.116 196 H TRP 4 HN TRP 4 7.664 -3.160 3.642 197 HA TRP 4 HA TRP 4 5.539 -4.147 5.342 198 HB2 TRP 4 HB2 TRP 4 4.436 -3.110 3.379 199 HB3 TRP 4 HB1 TRP 4 5.382 -4.112 2.305 200 HD1 TRP 4 HD1 TRP 4 4.475 -6.588 1.899 201 HE1 TRP 4 HE1 TRP 4 2.291 -7.791 2.578 202 HE3 TRP 4 3HE TRP 4 2.721 -3.239 5.338 203 HZ2 TRP 4 HZ2 TRP 4 0.140 -7.383 4.331 204 HZ3 TRP 4 HZ3 TRP 4 0.591 -3.718 6.467 205 HH2 TRP 4 2HH TRP 4 -0.670 -5.744 5.970 206 H HIS 5 HN HIS 5 6.186 -6.113 5.983 207 HA HIS 5 HA HIS 5 7.332 -8.040 6.181 208 HB2 HIS 5 HB2 HIS 5 7.137 -8.008 3.156 209 HB3 HIS 5 HB1 HIS 5 7.781 -9.372 4.063 210 HD1 HIS 5 HD1 HIS 5 5.202 -9.610 2.287 211 HD2 HIS 5 HD2 HIS 5 5.261 -8.941 6.386 212 HE1 HIS 5 HE1 HIS 5 2.959 -10.373 3.162 213 H HIS 6 HN HIS 6 8.718 -5.641 6.221 214 HA HIS 6 HA HIS 6 10.757 -4.897 6.628 215 HB2 HIS 6 HB2 HIS 6 11.733 -7.694 5.987 216 HB3 HIS 6 HB1 HIS 6 12.732 -6.415 6.676 217 HD1 HIS 6 HD1 HIS 6 12.244 -5.772 9.209 218 HD2 HIS 6 HD2 HIS 6 9.990 -8.932 7.724 219 HE1 HIS 6 HE1 HIS 6 11.087 -6.803 11.181 220 H SER 7 HN SER 7 9.624 -5.407 3.762 221 HA SER 7 HA SER 7 12.012 -4.568 2.337 222 HB2 SER 7 HB2 SER 7 9.235 -5.197 1.326 223 HB3 SER 7 HB1 SER 7 10.697 -5.009 0.351 224 HG SER 7 HG SER 7 11.163 -6.815 2.245 225 H CYS 8 HN CYS 8 12.250 -2.409 1.935 226 HA CYS 8 HA CYS 8 9.916 -0.708 2.467 227 HB2 CYS 8 HB2 CYS 8 12.817 -0.133 3.056 228 HB3 CYS 8 HB1 CYS 8 11.491 0.999 3.281 229 H VAL 9 HN VAL 9 9.453 0.878 1.113 230 HA VAL 9 HA VAL 9 11.176 1.240 -1.231 231 HB VAL 9 HB VAL 9 9.218 2.285 -2.368 232 HG11 VAL 9 HG11 VAL 9 9.569 -0.089 -2.669 233 HG12 VAL 9 HG12 VAL 9 7.842 0.278 -2.646 234 HG13 VAL 9 3HG1 VAL 9 8.619 -0.420 -1.223 235 HG21 VAL 9 HG21 VAL 9 7.691 1.536 0.120 236 HG22 VAL 9 HG22 VAL 9 6.973 2.148 -1.372 237 HG23 VAL 9 HG23 VAL 9 8.047 3.176 -0.419 238 HA PRO 10 HA PRO 10 12.596 5.094 0.236 239 HB2 PRO 10 HB2 PRO 10 12.701 6.553 -2.085 240 HB3 PRO 10 HB1 PRO 10 13.903 5.350 -1.603 241 HG2 PRO 10 HG2 PRO 10 11.580 5.073 -3.461 242 HG3 PRO 10 HG1 PRO 10 13.236 4.464 -3.645 243 HD2 PRO 10 HD2 PRO 10 11.249 2.857 -2.879 244 HD3 PRO 10 HD1 PRO 10 12.876 2.693 -2.182 245 H SER 11 HN SER 11 12.153 7.281 0.582 246 HA SER 11 HA SER 11 9.456 7.904 1.048 247 HB2 SER 11 HB2 SER 11 11.887 9.690 1.047 248 HB3 SER 11 HB1 SER 11 10.373 9.953 1.911 249 HG SER 11 HG SER 11 11.763 9.087 3.362 250 H GLY 12 HN GLY 12 8.030 8.709 -0.359 251 HA2 GLY 12 HA2 GLY 12 7.502 10.539 -1.834 252 HA3 GLY 12 HA1 GLY 12 9.070 10.298 -2.600 253 H THR 13 HN THR 13 8.101 7.287 -2.003 254 HA THR 13 HA THR 13 7.283 6.791 -4.674 255 HB THR 13 HB THR 13 7.058 4.999 -2.227 256 HG1 THR 13 HG1 THR 13 9.197 5.412 -2.473 257 HG21 THR 13 HG21 THR 13 7.097 4.307 -5.176 258 HG22 THR 13 HG22 THR 13 5.686 4.233 -4.122 259 HG23 THR 13 HG23 THR 13 7.050 3.150 -3.845 260 H CYS 14 HN CYS 14 5.282 7.180 -5.457 261 HA CYS 14 HA CYS 14 3.070 7.172 -3.562 262 HB2 CYS 14 HB2 CYS 14 3.106 8.409 -6.333 263 HB3 CYS 14 HB1 CYS 14 1.858 8.599 -5.117 264 H ALA 15 HN ALA 15 0.950 6.232 -4.465 265 HA ALA 15 HA ALA 15 1.272 4.360 -6.626 266 HB1 ALA 15 HB1 ALA 15 0.729 2.387 -5.274 267 HB2 ALA 15 HB2 ALA 15 0.795 3.365 -3.810 268 HB3 ALA 15 HB3 ALA 15 2.255 3.110 -4.764 269 H ASP 16 HN ASP 16 -0.710 3.490 -7.304 270 HA ASP 16 HA ASP 16 -3.050 4.992 -6.425 271 HB2 ASP 16 HB2 ASP 16 -4.160 4.078 -8.433 272 HB3 ASP 16 HB1 ASP 16 -2.660 4.886 -8.862 273 H PHE 17 HN PHE 17 -4.838 4.019 -5.572 274 HA PHE 17 HA PHE 17 -4.685 1.173 -4.987 275 HB2 PHE 17 HB2 PHE 17 -5.137 3.427 -3.032 276 HB3 PHE 17 HB1 PHE 17 -5.562 1.757 -2.685 277 HD1 PHE 17 HD1 PHE 17 -3.829 0.084 -2.415 278 HD2 PHE 17 HD2 PHE 17 -2.890 4.181 -2.987 279 HE1 PHE 17 HE1 PHE 17 -1.550 -0.337 -1.611 280 HE2 PHE 17 HE2 PHE 17 -0.603 3.777 -2.181 281 HZ PHE 17 HZ PHE 17 0.068 1.508 -1.499 282 HA PRO 18 HA PRO 18 -9.066 1.245 -5.881 283 HB2 PRO 18 HB2 PRO 18 -9.568 -0.573 -3.625 284 HB3 PRO 18 HB1 PRO 18 -9.758 -0.870 -5.354 285 HG2 PRO 18 HG2 PRO 18 -7.813 -2.042 -3.936 286 HG3 PRO 18 HG1 PRO 18 -7.579 -1.542 -5.618 287 HD2 PRO 18 HD2 PRO 18 -6.702 -0.179 -3.101 288 HD3 PRO 18 HD1 PRO 18 -5.814 -0.439 -4.616 289 H TRP 19 HN TRP 19 -11.202 1.543 -4.788 290 HA TRP 19 HA TRP 19 -11.273 3.765 -3.067 291 HB2 TRP 19 HB2 TRP 19 -13.084 3.063 -4.656 292 HB3 TRP 19 HB1 TRP 19 -13.418 1.679 -3.628 293 HD1 TRP 19 HD1 TRP 19 -13.983 5.420 -3.901 294 HE1 TRP 19 HE1 TRP 19 -15.690 6.143 -2.112 295 HE3 TRP 19 3HE TRP 19 -14.317 1.066 -1.274 296 HZ2 TRP 19 HZ2 TRP 19 -17.001 5.014 0.114 297 HZ3 TRP 19 HZ3 TRP 19 -15.800 0.972 0.665 298 HH2 TRP 19 2HH TRP 19 -17.124 2.905 1.348 299 HA PRO 20 HA PRO 20 -12.212 4.667 -1.407 300 HB2 PRO 20 HB2 PRO 20 -12.027 5.388 1.245 301 HB3 PRO 20 HB1 PRO 20 -13.472 4.739 0.470 302 HG2 PRO 20 HG2 PRO 20 -11.870 3.495 2.494 303 HG3 PRO 20 HG1 PRO 20 -13.281 2.825 1.667 304 HD2 PRO 20 HD2 PRO 20 -10.394 2.406 1.124 305 HD3 PRO 20 HD1 PRO 20 -11.771 1.324 0.821 306 H LEU 21 HN LEU 21 -9.338 3.419 -1.100 307 HA LEU 21 HA LEU 21 -7.819 5.467 0.209 308 HB2 LEU 21 HB2 LEU 21 -6.887 3.300 -1.667 309 HB3 LEU 21 HB1 LEU 21 -5.864 4.259 -0.616 310 HG LEU 21 HG LEU 21 -7.906 2.218 0.230 311 HD11 LEU 21 HD11 LEU 21 -5.988 1.024 1.115 312 HD12 LEU 21 HD12 LEU 21 -4.911 2.242 0.426 313 HD13 LEU 21 HD13 LEU 21 -5.889 1.217 -0.636 314 HD21 LEU 21 HD21 LEU 21 -6.111 3.942 1.909 315 HD22 LEU 21 HD22 LEU 21 -7.088 2.594 2.496 316 HD23 LEU 21 HD23 LEU 21 -7.870 4.014 1.803 317 H GLY 22 HN GLY 22 -8.003 4.395 -3.182 318 HA2 GLY 22 HA2 GLY 22 -8.058 5.671 -5.108 319 HA3 GLY 22 HA1 GLY 22 -8.081 7.121 -4.117 320 H HIS 23 HN HIS 23 -6.355 8.353 -4.538 321 HA HIS 23 HA HIS 23 -3.899 6.986 -5.358 322 HB2 HIS 23 HB2 HIS 23 -4.718 9.881 -5.725 323 HB3 HIS 23 HB1 HIS 23 -3.133 9.248 -6.146 324 HD1 HIS 23 HD1 HIS 23 -2.936 7.972 -8.409 325 HD2 HIS 23 HD2 HIS 23 -6.836 9.015 -7.374 326 HE1 HIS 23 HE1 HIS 23 -4.330 7.566 -10.450 327 H GLN 24 HN GLN 24 -2.467 6.657 -3.848 328 HA GLN 24 HA GLN 24 -2.337 8.594 -1.655 329 HB2 GLN 24 HB2 GLN 24 -2.037 5.600 -1.537 330 HB3 GLN 24 HB1 GLN 24 -1.595 6.667 -0.217 331 HG2 GLN 24 HG2 GLN 24 -3.927 7.474 -0.128 332 HG3 GLN 24 HG1 GLN 24 -4.343 6.328 -1.398 333 HE21 GLN 24 1HE2 GLN 24 -2.599 4.241 -0.338 334 HE22 GLN 24 2HE2 GLN 24 -3.402 3.655 1.082 335 H CYS 25 HN CYS 25 -0.187 8.575 -0.532 336 HA CYS 25 HA CYS 25 1.935 7.656 -2.205 337 HB2 CYS 25 HB2 CYS 25 1.390 9.947 -3.062 338 HB3 CYS 25 HB1 CYS 25 1.759 10.589 -1.466 339 H PHE 26 HN PHE 26 3.961 7.564 -1.118 340 HA PHE 26 HA PHE 26 3.611 7.529 1.782 341 HB2 PHE 26 HB2 PHE 26 5.498 5.925 0.043 342 HB3 PHE 26 HB1 PHE 26 5.318 5.757 1.782 343 HD1 PHE 26 HD1 PHE 26 3.017 5.060 2.650 344 HD2 PHE 26 HD2 PHE 26 4.190 4.658 -1.413 345 HE1 PHE 26 HE1 PHE 26 1.250 3.392 2.312 346 HE2 PHE 26 HE2 PHE 26 2.421 2.985 -1.762 347 HZ PHE 26 HZ PHE 26 0.944 2.355 0.118 348 HA PRO 27 HA PRO 27 6.590 10.982 1.113 349 HB2 PRO 27 HB2 PRO 27 5.818 11.641 3.881 350 HB3 PRO 27 HB1 PRO 27 5.742 12.646 2.431 351 HG2 PRO 27 HG2 PRO 27 3.517 11.683 3.560 352 HG3 PRO 27 HG1 PRO 27 3.677 11.810 1.799 353 HD2 PRO 27 HD2 PRO 27 3.991 9.404 3.556 354 HD3 PRO 27 HD1 PRO 27 3.135 9.563 2.005 355 H ASP 28 HN ASP 28 6.375 8.768 3.846 356 HA ASP 28 HA ASP 28 9.255 9.227 4.307 357 HB2 ASP 28 HB2 ASP 28 9.043 8.287 6.523 358 HB3 ASP 28 HB1 ASP 28 7.760 9.471 6.334 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 -6.032 -7.788 4.711 2 HA2 GLY 1 HA2 GLY 1 -7.103 -6.043 3.614 3 HA3 GLY 1 HA1 GLY 1 -7.841 -5.575 5.150 4 H PHE 2 HN PHE 2 -7.163 -3.376 4.390 5 HA PHE 2 HA PHE 2 -4.679 -2.758 5.666 6 HB2 PHE 2 HB2 PHE 2 -3.966 -3.441 3.370 7 HB3 PHE 2 HB1 PHE 2 -4.957 -2.148 2.716 8 HD1 PHE 2 HD1 PHE 2 -3.932 -0.152 2.238 9 HD2 PHE 2 HD2 PHE 2 -2.224 -2.682 5.186 10 HE1 PHE 2 HE1 PHE 2 -2.027 1.380 2.445 11 HE2 PHE 2 HE2 PHE 2 -0.316 -1.153 5.402 12 HZ PHE 2 HZ PHE 2 -0.217 0.882 4.027 13 H CYS 3 HN CYS 3 -4.730 -0.756 6.454 14 HA CYS 3 HA CYS 3 -6.867 1.027 5.567 15 HB2 CYS 3 HB2 CYS 3 -5.778 0.548 8.340 16 HB3 CYS 3 HB1 CYS 3 -6.830 1.891 7.924 17 H TRP 4 HN TRP 4 -6.208 2.943 4.933 18 HA TRP 4 HA TRP 4 -3.827 4.157 5.935 19 HB2 TRP 4 HB2 TRP 4 -3.077 2.508 4.135 20 HB3 TRP 4 HB1 TRP 4 -3.972 3.485 2.996 21 HD1 TRP 4 HD1 TRP 4 -2.907 5.794 2.258 22 HE1 TRP 4 HE1 TRP 4 -0.538 6.789 2.516 23 HE3 TRP 4 3HE TRP 4 -1.051 2.600 5.790 24 HZ2 TRP 4 HZ2 TRP 4 1.786 6.289 4.009 25 HZ3 TRP 4 HZ3 TRP 4 1.267 2.932 6.575 26 HH2 TRP 4 2HH TRP 4 2.644 4.735 5.701 27 H HIS 5 HN HIS 5 -4.124 6.288 5.824 28 HA HIS 5 HA HIS 5 -5.257 8.197 5.781 29 HB2 HIS 5 HB2 HIS 5 -4.007 8.351 3.637 30 HB3 HIS 5 HB1 HIS 5 -5.390 7.667 2.796 31 HD1 HIS 5 HD1 HIS 5 -6.865 9.418 1.738 32 HD2 HIS 5 HD2 HIS 5 -4.873 10.845 5.088 33 HE1 HIS 5 HE1 HIS 5 -7.501 11.838 1.941 34 H HIS 6 HN HIS 6 -6.879 6.818 6.898 35 HA HIS 6 HA HIS 6 -9.018 6.643 7.590 36 HB2 HIS 6 HB2 HIS 6 -9.558 8.750 5.484 37 HB3 HIS 6 HB1 HIS 6 -10.683 8.272 6.745 38 HD1 HIS 6 HD1 HIS 6 -10.203 9.180 9.149 39 HD2 HIS 6 HD2 HIS 6 -7.455 10.379 6.279 40 HE1 HIS 6 HE1 HIS 6 -8.861 11.039 10.198 41 H SER 7 HN SER 7 -8.055 5.091 5.114 42 HA SER 7 HA SER 7 -10.726 4.286 4.196 43 HB2 SER 7 HB2 SER 7 -8.258 4.476 2.470 44 HB3 SER 7 HB1 SER 7 -9.910 4.140 1.946 45 HG SER 7 HG SER 7 -9.051 6.493 3.226 46 H CYS 8 HN CYS 8 -11.015 2.061 4.153 47 HA CYS 8 HA CYS 8 -8.629 0.418 4.576 48 HB2 CYS 8 HB2 CYS 8 -11.301 0.104 5.942 49 HB3 CYS 8 HB1 CYS 8 -9.959 -1.022 6.067 50 H VAL 9 HN VAL 9 -8.480 -1.308 3.361 51 HA VAL 9 HA VAL 9 -10.771 -2.045 1.689 52 HB VAL 9 HB VAL 9 -9.117 -3.262 0.234 53 HG11 VAL 9 HG11 VAL 9 -8.624 -0.326 0.625 54 HG12 VAL 9 HG12 VAL 9 -9.847 -1.059 -0.416 55 HG13 VAL 9 3HG1 VAL 9 -8.133 -1.244 -0.797 56 HG21 VAL 9 HG21 VAL 9 -6.721 -2.757 0.464 57 HG22 VAL 9 HG22 VAL 9 -7.341 -3.610 1.879 58 HG23 VAL 9 HG23 VAL 9 -7.058 -1.871 1.951 59 HA PRO 10 HA PRO 10 -11.285 -5.803 3.930 60 HB2 PRO 10 HB2 PRO 10 -12.141 -7.464 1.936 61 HB3 PRO 10 HB1 PRO 10 -13.167 -6.240 2.686 62 HG2 PRO 10 HG2 PRO 10 -11.655 -6.130 0.112 63 HG3 PRO 10 HG1 PRO 10 -13.298 -5.570 0.471 64 HD2 PRO 10 HD2 PRO 10 -11.227 -3.872 0.318 65 HD3 PRO 10 HD1 PRO 10 -12.553 -3.630 1.474 66 H SER 11 HN SER 11 -10.585 -8.036 4.089 67 HA SER 11 HA SER 11 -7.875 -8.425 3.478 68 HB2 SER 11 HB2 SER 11 -9.966 -10.445 4.327 69 HB3 SER 11 HB1 SER 11 -8.220 -10.558 4.564 70 HG SER 11 HG SER 11 -8.980 -9.824 6.460 71 H GLY 12 HN GLY 12 -6.968 -9.503 1.758 72 HA2 GLY 12 HA2 GLY 12 -7.069 -11.145 0.008 73 HA3 GLY 12 HA1 GLY 12 -8.801 -10.861 -0.097 74 H THR 13 HN THR 13 -7.918 -7.861 0.195 75 HA THR 13 HA THR 13 -8.019 -7.263 -2.581 76 HB THR 13 HB THR 13 -7.233 -5.466 -0.269 77 HG1 THR 13 HG1 THR 13 -9.206 -5.964 0.276 78 HG21 THR 13 HG21 THR 13 -8.377 -4.806 -3.003 79 HG22 THR 13 HG22 THR 13 -6.717 -4.509 -2.492 80 HG23 THR 13 HG23 THR 13 -8.041 -3.641 -1.723 81 H CYS 14 HN CYS 14 -6.348 -6.840 -3.994 82 HA CYS 14 HA CYS 14 -3.648 -7.036 -2.870 83 HB2 CYS 14 HB2 CYS 14 -4.535 -7.920 -5.626 84 HB3 CYS 14 HB1 CYS 14 -2.949 -8.153 -4.892 85 H ALA 15 HN ALA 15 -2.213 -5.532 -3.410 86 HA ALA 15 HA ALA 15 -3.053 -3.514 -5.349 87 HB1 ALA 15 HB1 ALA 15 -1.651 -2.996 -2.717 88 HB2 ALA 15 HB2 ALA 15 -3.340 -2.641 -3.065 89 HB3 ALA 15 HB3 ALA 15 -2.069 -1.782 -3.925 90 H ASP 16 HN ASP 16 -1.412 -2.650 -6.558 91 HA ASP 16 HA ASP 16 1.017 -4.262 -6.588 92 HB2 ASP 16 HB2 ASP 16 -0.238 -2.516 -8.703 93 HB3 ASP 16 HB1 ASP 16 1.401 -3.136 -8.844 94 H PHE 17 HN PHE 17 2.597 -3.527 -5.542 95 HA PHE 17 HA PHE 17 3.007 -0.658 -5.238 96 HB2 PHE 17 HB2 PHE 17 4.177 -3.075 -3.875 97 HB3 PHE 17 HB1 PHE 17 4.724 -1.436 -3.585 98 HD1 PHE 17 HD1 PHE 17 3.438 0.065 -2.274 99 HD2 PHE 17 HD2 PHE 17 2.049 -3.870 -3.062 100 HE1 PHE 17 HE1 PHE 17 1.826 0.280 -0.454 101 HE2 PHE 17 HE2 PHE 17 0.412 -3.658 -1.237 102 HZ PHE 17 HZ PHE 17 0.311 -1.571 0.073 103 HA PRO 18 HA PRO 18 6.704 -0.966 -7.821 104 HB2 PRO 18 HB2 PRO 18 8.126 0.642 -5.783 105 HB3 PRO 18 HB1 PRO 18 7.827 1.013 -7.484 106 HG2 PRO 18 HG2 PRO 18 6.537 2.318 -5.545 107 HG3 PRO 18 HG1 PRO 18 5.722 1.886 -7.059 108 HD2 PRO 18 HD2 PRO 18 5.583 0.548 -4.385 109 HD3 PRO 18 HD1 PRO 18 4.277 0.918 -5.534 110 H TRP 19 HN TRP 19 9.044 -1.545 -7.556 111 HA TRP 19 HA TRP 19 9.427 -3.900 -6.092 112 HB2 TRP 19 HB2 TRP 19 10.615 -3.226 -8.199 113 HB3 TRP 19 HB1 TRP 19 11.491 -2.008 -7.287 114 HD1 TRP 19 HD1 TRP 19 11.353 -5.755 -7.962 115 HE1 TRP 19 HE1 TRP 19 13.496 -6.849 -7.068 116 HE3 TRP 19 3HE TRP 19 13.328 -1.754 -5.474 117 HZ2 TRP 19 HZ2 TRP 19 15.734 -6.119 -5.508 118 HZ3 TRP 19 HZ3 TRP 19 15.465 -2.032 -4.308 119 HH2 TRP 19 2HH TRP 19 16.650 -4.171 -4.322 120 HA PRO 20 HA PRO 20 10.850 -4.995 -5.025 121 HB2 PRO 20 HB2 PRO 20 11.416 -5.965 -2.462 122 HB3 PRO 20 HB1 PRO 20 12.585 -5.551 -3.714 123 HG2 PRO 20 HG2 PRO 20 12.214 -4.219 -1.252 124 HG3 PRO 20 HG1 PRO 20 13.199 -3.669 -2.614 125 HD2 PRO 20 HD2 PRO 20 10.445 -2.865 -1.819 126 HD3 PRO 20 HD1 PRO 20 11.713 -1.918 -2.620 127 H LEU 21 HN LEU 21 8.425 -3.549 -3.355 128 HA LEU 21 HA LEU 21 7.282 -5.757 -1.937 129 HB2 LEU 21 HB2 LEU 21 6.060 -3.150 -2.814 130 HB3 LEU 21 HB1 LEU 21 5.133 -4.379 -1.993 131 HG LEU 21 HG LEU 21 6.693 -4.111 -0.031 132 HD11 LEU 21 HD11 LEU 21 7.615 -1.754 -1.618 133 HD12 LEU 21 HD12 LEU 21 8.585 -3.153 -1.125 134 HD13 LEU 21 HD13 LEU 21 7.959 -2.029 0.093 135 HD21 LEU 21 HD21 LEU 21 4.501 -3.082 -0.105 136 HD22 LEU 21 HD22 LEU 21 5.183 -1.672 -0.916 137 HD23 LEU 21 HD23 LEU 21 5.663 -2.057 0.738 138 H GLY 22 HN GLY 22 6.357 -4.161 -4.956 139 HA2 GLY 22 HA2 GLY 22 5.466 -5.045 -6.868 140 HA3 GLY 22 HA1 GLY 22 5.822 -6.643 -6.226 141 H HIS 23 HN HIS 23 3.927 -7.650 -6.646 142 HA HIS 23 HA HIS 23 1.461 -6.328 -5.955 143 HB2 HIS 23 HB2 HIS 23 0.327 -8.400 -6.867 144 HB3 HIS 23 HB1 HIS 23 1.310 -7.515 -8.017 145 HD1 HIS 23 HD1 HIS 23 0.877 -10.869 -6.519 146 HD2 HIS 23 HD2 HIS 23 3.740 -8.843 -8.729 147 HE1 HIS 23 HE1 HIS 23 2.430 -12.627 -7.437 148 H GLN 24 HN GLN 24 0.776 -6.270 -4.019 149 HA GLN 24 HA GLN 24 1.302 -8.569 -2.276 150 HB2 GLN 24 HB2 GLN 24 1.256 -5.632 -1.614 151 HB3 GLN 24 HB1 GLN 24 1.237 -6.898 -0.395 152 HG2 GLN 24 HG2 GLN 24 3.398 -6.520 -2.454 153 HG3 GLN 24 HG1 GLN 24 3.484 -5.965 -0.782 154 HE21 GLN 24 1HE2 GLN 24 5.116 -7.918 -2.273 155 HE22 GLN 24 2HE2 GLN 24 5.049 -9.371 -1.343 156 H CYS 25 HN CYS 25 -0.377 -9.531 -1.438 157 HA CYS 25 HA CYS 25 -2.980 -8.232 -1.605 158 HB2 CYS 25 HB2 CYS 25 -2.249 -11.129 -1.125 159 HB3 CYS 25 HB1 CYS 25 -3.891 -10.497 -1.236 160 H PHE 26 HN PHE 26 -4.011 -7.667 0.135 161 HA PHE 26 HA PHE 26 -2.489 -7.700 2.594 162 HB2 PHE 26 HB2 PHE 26 -5.136 -6.393 1.983 163 HB3 PHE 26 HB1 PHE 26 -4.120 -6.089 3.385 164 HD1 PHE 26 HD1 PHE 26 -1.622 -5.382 2.739 165 HD2 PHE 26 HD2 PHE 26 -5.051 -4.896 0.270 166 HE1 PHE 26 HE1 PHE 26 -0.484 -3.581 1.515 167 HE2 PHE 26 HE2 PHE 26 -3.921 -3.101 -0.956 168 HZ PHE 26 HZ PHE 26 -1.638 -2.441 -0.340 169 HA PRO 27 HA PRO 27 -4.886 -11.335 3.699 170 HB2 PRO 27 HB2 PRO 27 -3.502 -11.979 5.928 171 HB3 PRO 27 HB1 PRO 27 -2.901 -12.311 4.300 172 HG2 PRO 27 HG2 PRO 27 -2.194 -10.082 6.162 173 HG3 PRO 27 HG1 PRO 27 -1.134 -11.039 5.114 174 HD2 PRO 27 HD2 PRO 27 -2.004 -8.538 4.494 175 HD3 PRO 27 HD1 PRO 27 -1.614 -9.762 3.268 176 H ASP 28 HN ASP 28 -4.306 -8.606 5.740 177 HA ASP 28 HA ASP 28 -6.712 -9.285 7.304 178 HB2 ASP 28 HB2 ASP 28 -4.631 -9.215 8.646 179 HB3 ASP 28 HB1 ASP 28 -4.318 -7.584 8.077 180 H1 GLY 1 HN GLY 1 7.783 7.733 2.770 181 HA2 GLY 1 HA2 GLY 1 8.407 5.723 1.775 182 HA3 GLY 1 HA1 GLY 1 9.519 5.444 3.105 183 H PHE 2 HN PHE 2 8.364 3.291 2.494 184 HA PHE 2 HA PHE 2 6.391 2.770 4.539 185 HB2 PHE 2 HB2 PHE 2 5.018 3.540 2.656 186 HB3 PHE 2 HB1 PHE 2 5.792 2.377 1.598 187 HD1 PHE 2 HD1 PHE 2 4.683 0.420 1.167 188 HD2 PHE 2 HD2 PHE 2 3.863 2.492 4.787 189 HE1 PHE 2 HE1 PHE 2 2.919 -1.200 1.689 190 HE2 PHE 2 HE2 PHE 2 2.098 0.867 5.319 191 HZ PHE 2 HZ PHE 2 1.624 -0.981 3.766 192 H CYS 3 HN CYS 3 6.342 0.568 5.059 193 HA CYS 3 HA CYS 3 8.071 -1.205 3.533 194 HB2 CYS 3 HB2 CYS 3 8.035 -0.866 6.539 195 HB3 CYS 3 HB1 CYS 3 8.836 -2.186 5.697 196 H TRP 4 HN TRP 4 7.146 -3.076 3.131 197 HA TRP 4 HA TRP 4 5.086 -4.128 4.845 198 HB2 TRP 4 HB2 TRP 4 3.970 -2.552 3.191 199 HB3 TRP 4 HB1 TRP 4 4.551 -3.612 1.924 200 HD1 TRP 4 HD1 TRP 4 3.189 -5.798 1.450 201 HE1 TRP 4 HE1 TRP 4 1.008 -6.777 2.418 202 HE3 TRP 4 3HE TRP 4 2.616 -2.687 5.451 203 HZ2 TRP 4 HZ2 TRP 4 -0.723 -6.279 4.585 204 HZ3 TRP 4 HZ3 TRP 4 0.673 -3.000 6.922 205 HH2 TRP 4 2HH TRP 4 -0.953 -4.752 6.497 206 H HIS 5 HN HIS 5 5.093 -6.333 4.685 207 HA HIS 5 HA HIS 5 5.895 -8.415 4.256 208 HB2 HIS 5 HB2 HIS 5 4.783 -7.919 2.020 209 HB3 HIS 5 HB1 HIS 5 6.335 -7.356 1.425 210 HD1 HIS 5 HD1 HIS 5 7.372 -9.116 -0.052 211 HD2 HIS 5 HD2 HIS 5 5.191 -10.737 3.084 212 HE1 HIS 5 HE1 HIS 5 7.540 -11.613 -0.313 213 H HIS 6 HN HIS 6 7.617 -6.207 5.095 214 HA HIS 6 HA HIS 6 9.676 -5.795 5.761 215 HB2 HIS 6 HB2 HIS 6 10.309 -8.536 4.678 216 HB3 HIS 6 HB1 HIS 6 11.526 -7.519 5.439 217 HD1 HIS 6 HD1 HIS 6 11.822 -8.054 7.867 218 HD2 HIS 6 HD2 HIS 6 7.958 -8.796 6.557 219 HE1 HIS 6 HE1 HIS 6 10.589 -9.010 9.840 220 H SER 7 HN SER 7 8.854 -5.801 2.668 221 HA SER 7 HA SER 7 11.407 -4.876 1.652 222 HB2 SER 7 HB2 SER 7 8.684 -5.073 0.341 223 HB3 SER 7 HB1 SER 7 10.224 -4.810 -0.478 224 HG SER 7 HG SER 7 10.685 -6.931 0.819 225 H CYS 8 HN CYS 8 11.652 -2.617 1.037 226 HA CYS 8 HA CYS 8 9.538 -0.903 2.097 227 HB2 CYS 8 HB2 CYS 8 12.508 -0.590 2.536 228 HB3 CYS 8 HB1 CYS 8 11.282 0.578 3.009 229 H VAL 9 HN VAL 9 9.304 1.064 1.141 230 HA VAL 9 HA VAL 9 10.877 1.514 -1.255 231 HB VAL 9 HB VAL 9 8.924 2.913 -2.101 232 HG11 VAL 9 HG11 VAL 9 7.593 0.960 -2.849 233 HG12 VAL 9 HG12 VAL 9 8.479 -0.026 -1.676 234 HG13 VAL 9 3HG1 VAL 9 9.335 0.724 -3.018 235 HG21 VAL 9 HG21 VAL 9 7.744 3.227 0.018 236 HG22 VAL 9 HG22 VAL 9 7.432 1.494 0.112 237 HG23 VAL 9 HG23 VAL 9 6.691 2.454 -1.168 238 HA PRO 10 HA PRO 10 12.321 5.035 0.915 239 HB2 PRO 10 HB2 PRO 10 12.823 6.422 -1.611 240 HB3 PRO 10 HB1 PRO 10 13.979 5.792 -0.437 241 HG2 PRO 10 HG2 PRO 10 13.640 4.658 -2.863 242 HG3 PRO 10 HG1 PRO 10 14.047 3.709 -1.423 243 HD2 PRO 10 HD2 PRO 10 11.395 4.096 -2.752 244 HD3 PRO 10 HD1 PRO 10 12.142 2.616 -2.107 245 H SER 11 HN SER 11 12.023 7.251 1.295 246 HA SER 11 HA SER 11 9.450 8.289 1.288 247 HB2 SER 11 HB2 SER 11 12.072 9.768 1.404 248 HB3 SER 11 HB1 SER 11 10.530 10.266 2.110 249 HG SER 11 HG SER 11 12.410 8.484 3.054 250 H GLY 12 HN GLY 12 8.288 9.132 -0.355 251 HA2 GLY 12 HA2 GLY 12 8.178 10.906 -2.043 252 HA3 GLY 12 HA1 GLY 12 9.759 10.372 -2.598 253 H THR 13 HN THR 13 8.532 7.571 -1.942 254 HA THR 13 HA THR 13 7.779 7.008 -4.639 255 HB THR 13 HB THR 13 7.659 5.218 -2.191 256 HG1 THR 13 HG1 THR 13 9.718 5.553 -2.292 257 HG21 THR 13 HG21 THR 13 7.846 3.377 -3.814 258 HG22 THR 13 HG22 THR 13 7.877 4.538 -5.135 259 HG23 THR 13 HG23 THR 13 6.421 4.357 -4.159 260 H CYS 14 HN CYS 14 5.694 6.508 -5.375 261 HA CYS 14 HA CYS 14 3.577 6.746 -3.407 262 HB2 CYS 14 HB2 CYS 14 3.875 8.867 -4.652 263 HB3 CYS 14 HB1 CYS 14 3.522 8.012 -6.157 264 H ALA 15 HN ALA 15 1.814 5.487 -3.793 265 HA ALA 15 HA ALA 15 2.104 3.583 -5.995 266 HB1 ALA 15 HB1 ALA 15 1.438 2.844 -3.144 267 HB2 ALA 15 HB2 ALA 15 2.982 2.559 -3.944 268 HB3 ALA 15 HB3 ALA 15 1.533 1.739 -4.516 269 H ASP 16 HN ASP 16 0.215 2.804 -6.832 270 HA ASP 16 HA ASP 16 -2.160 4.320 -6.103 271 HB2 ASP 16 HB2 ASP 16 -1.648 2.517 -8.490 272 HB3 ASP 16 HB1 ASP 16 -3.150 3.376 -8.192 273 H PHE 17 HN PHE 17 -3.400 3.485 -4.662 274 HA PHE 17 HA PHE 17 -3.613 0.580 -4.330 275 HB2 PHE 17 HB2 PHE 17 -4.492 2.936 -2.661 276 HB3 PHE 17 HB1 PHE 17 -4.903 1.274 -2.286 277 HD1 PHE 17 HD1 PHE 17 -3.418 -0.103 -1.163 278 HD2 PHE 17 HD2 PHE 17 -2.136 3.684 -2.573 279 HE1 PHE 17 HE1 PHE 17 -1.391 -0.297 0.190 280 HE2 PHE 17 HE2 PHE 17 -0.088 3.498 -1.220 281 HZ PHE 17 HZ PHE 17 0.272 1.491 0.170 282 HA PRO 18 HA PRO 18 -7.782 0.718 -5.980 283 HB2 PRO 18 HB2 PRO 18 -8.700 -0.892 -3.670 284 HB3 PRO 18 HB1 PRO 18 -8.752 -1.286 -5.390 285 HG2 PRO 18 HG2 PRO 18 -7.039 -2.520 -3.759 286 HG3 PRO 18 HG1 PRO 18 -6.575 -2.080 -5.413 287 HD2 PRO 18 HD2 PRO 18 -5.925 -0.700 -2.838 288 HD3 PRO 18 HD1 PRO 18 -4.873 -1.052 -4.229 289 H TRP 19 HN TRP 19 -10.040 1.241 -5.230 290 HA TRP 19 HA TRP 19 -10.052 3.627 -3.700 291 HB2 TRP 19 HB2 TRP 19 -11.562 2.999 -5.686 292 HB3 TRP 19 HB1 TRP 19 -12.437 1.958 -4.576 293 HD1 TRP 19 HD1 TRP 19 -11.758 5.658 -5.302 294 HE1 TRP 19 HE1 TRP 19 -13.624 7.069 -4.227 295 HE3 TRP 19 3HE TRP 19 -14.198 1.972 -2.761 296 HZ2 TRP 19 HZ2 TRP 19 -15.832 6.674 -2.537 297 HZ3 TRP 19 HZ3 TRP 19 -16.186 2.573 -1.433 298 HH2 TRP 19 2HH TRP 19 -16.978 4.875 -1.328 299 HA PRO 20 HA PRO 20 -11.283 4.758 -2.393 300 HB2 PRO 20 HB2 PRO 20 -11.595 5.631 0.206 301 HB3 PRO 20 HB1 PRO 20 -12.902 5.160 -0.877 302 HG2 PRO 20 HG2 PRO 20 -12.076 3.833 1.510 303 HG3 PRO 20 HG1 PRO 20 -13.311 3.307 0.360 304 HD2 PRO 20 HD2 PRO 20 -10.478 2.453 0.613 305 HD3 PRO 20 HD1 PRO 20 -11.879 1.559 -0.006 306 H LEU 21 HN LEU 21 -8.661 3.259 -1.485 307 HA LEU 21 HA LEU 21 -7.307 5.368 -0.061 308 HB2 LEU 21 HB2 LEU 21 -6.287 2.815 -1.294 309 HB3 LEU 21 HB1 LEU 21 -5.205 4.012 -0.629 310 HG LEU 21 HG LEU 21 -6.312 3.667 1.592 311 HD11 LEU 21 HD11 LEU 21 -8.420 2.749 0.863 312 HD12 LEU 21 HD12 LEU 21 -7.579 1.619 1.934 313 HD13 LEU 21 HD13 LEU 21 -7.586 1.349 0.184 314 HD21 LEU 21 HD21 LEU 21 -5.068 1.249 0.331 315 HD22 LEU 21 HD22 LEU 21 -5.186 1.583 2.061 316 HD23 LEU 21 HD23 LEU 21 -4.207 2.620 1.024 317 H GLY 22 HN GLY 22 -7.055 3.951 -3.294 318 HA2 GLY 22 HA2 GLY 22 -6.535 4.921 -5.293 319 HA3 GLY 22 HA1 GLY 22 -6.739 6.492 -4.520 320 H HIS 23 HN HIS 23 -4.923 7.211 -5.692 321 HA HIS 23 HA HIS 23 -2.364 6.092 -5.261 322 HB2 HIS 23 HB2 HIS 23 -1.455 8.183 -6.255 323 HB3 HIS 23 HB1 HIS 23 -2.729 7.481 -7.236 324 HD1 HIS 23 HD1 HIS 23 -1.588 10.666 -6.186 325 HD2 HIS 23 HD2 HIS 23 -5.333 8.901 -6.516 326 HE1 HIS 23 HE1 HIS 23 -3.251 12.548 -6.231 327 H GLN 24 HN GLN 24 -1.353 5.975 -3.475 328 HA GLN 24 HA GLN 24 -1.540 8.184 -1.568 329 HB2 GLN 24 HB2 GLN 24 -1.399 5.224 -1.041 330 HB3 GLN 24 HB1 GLN 24 -1.088 6.430 0.196 331 HG2 GLN 24 HG2 GLN 24 -3.666 6.177 -1.337 332 HG3 GLN 24 HG1 GLN 24 -3.395 5.531 0.280 333 HE21 GLN 24 1HE2 GLN 24 -5.319 7.533 -0.580 334 HE22 GLN 24 2HE2 GLN 24 -4.956 8.963 0.323 335 H CYS 25 HN CYS 25 0.260 9.138 -1.268 336 HA CYS 25 HA CYS 25 2.666 7.862 -2.251 337 HB2 CYS 25 HB2 CYS 25 2.178 10.769 -1.635 338 HB3 CYS 25 HB1 CYS 25 3.531 10.075 -2.528 339 H PHE 26 HN PHE 26 4.572 7.868 -0.977 340 HA PHE 26 HA PHE 26 3.935 7.929 1.883 341 HB2 PHE 26 HB2 PHE 26 6.138 6.401 0.499 342 HB3 PHE 26 HB1 PHE 26 5.584 6.200 2.154 343 HD1 PHE 26 HD1 PHE 26 3.012 5.570 2.368 344 HD2 PHE 26 HD2 PHE 26 5.406 4.932 -1.091 345 HE1 PHE 26 HE1 PHE 26 1.451 3.817 1.608 346 HE2 PHE 26 HE2 PHE 26 3.854 3.189 -1.851 347 HZ PHE 26 HZ PHE 26 1.881 2.632 -0.508 348 HA PRO 27 HA PRO 27 6.771 11.541 1.579 349 HB2 PRO 27 HB2 PRO 27 5.891 11.771 4.402 350 HB3 PRO 27 HB1 PRO 27 5.866 12.995 3.135 351 HG2 PRO 27 HG2 PRO 27 3.607 11.883 3.938 352 HG3 PRO 27 HG1 PRO 27 3.888 12.179 2.212 353 HD2 PRO 27 HD2 PRO 27 4.113 9.628 3.753 354 HD3 PRO 27 HD1 PRO 27 3.379 9.925 2.162 355 H ASP 28 HN ASP 28 6.621 9.091 4.063 356 HA ASP 28 HA ASP 28 9.486 9.518 4.626 357 HB2 ASP 28 HB2 ASP 28 7.321 8.518 6.480 358 HB3 ASP 28 HB1 ASP 28 9.034 8.440 6.850 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 -6.383 -7.489 4.019 2 HA2 GLY 1 HA2 GLY 1 -7.505 -5.676 3.118 3 HA3 GLY 1 HA1 GLY 1 -8.013 -5.204 4.747 4 H PHE 2 HN PHE 2 -7.150 -3.102 3.735 5 HA PHE 2 HA PHE 2 -4.428 -2.873 4.729 6 HB2 PHE 2 HB2 PHE 2 -4.150 -3.160 2.324 7 HB3 PHE 2 HB1 PHE 2 -5.298 -1.872 2.008 8 HD1 PHE 2 HD1 PHE 2 -4.441 0.176 1.447 9 HD2 PHE 2 HD2 PHE 2 -2.124 -2.423 3.897 10 HE1 PHE 2 HE1 PHE 2 -2.595 1.796 1.416 11 HE2 PHE 2 HE2 PHE 2 -0.279 -0.800 3.870 12 HZ PHE 2 HZ PHE 2 -0.510 1.306 2.627 13 H CYS 3 HN CYS 3 -4.322 -1.320 6.119 14 HA CYS 3 HA CYS 3 -6.277 0.831 5.942 15 HB2 CYS 3 HB2 CYS 3 -5.097 -0.497 8.380 16 HB3 CYS 3 HB1 CYS 3 -6.034 0.993 8.433 17 H TRP 4 HN TRP 4 -5.392 2.590 5.355 18 HA TRP 4 HA TRP 4 -2.866 3.482 6.484 19 HB2 TRP 4 HB2 TRP 4 -2.281 2.392 4.356 20 HB3 TRP 4 HB1 TRP 4 -3.510 3.314 3.520 21 HD1 TRP 4 HD1 TRP 4 -2.926 5.859 2.920 22 HE1 TRP 4 HE1 TRP 4 -0.695 7.119 2.795 23 HE3 TRP 4 3HE TRP 4 0.030 2.544 5.447 24 HZ2 TRP 4 HZ2 TRP 4 1.954 6.774 3.642 25 HZ3 TRP 4 HZ3 TRP 4 2.410 3.089 5.735 26 HH2 TRP 4 2HH TRP 4 3.350 5.165 4.845 27 H HIS 5 HN HIS 5 -3.028 5.630 6.934 28 HA HIS 5 HA HIS 5 -3.902 7.729 7.184 29 HB2 HIS 5 HB2 HIS 5 -3.309 7.714 4.709 30 HB3 HIS 5 HB1 HIS 5 -4.981 7.301 4.373 31 HD1 HIS 5 HD1 HIS 5 -5.970 9.391 3.349 32 HD2 HIS 5 HD2 HIS 5 -3.558 10.209 6.638 33 HE1 HIS 5 HE1 HIS 5 -6.101 11.870 3.712 34 H HIS 6 HN HIS 6 -5.420 5.527 8.140 35 HA HIS 6 HA HIS 6 -7.347 5.054 9.179 36 HB2 HIS 6 HB2 HIS 6 -8.027 7.936 8.536 37 HB3 HIS 6 HB1 HIS 6 -9.054 6.894 9.511 38 HD1 HIS 6 HD1 HIS 6 -8.460 6.695 11.973 39 HD2 HIS 6 HD2 HIS 6 -5.486 8.537 9.732 40 HE1 HIS 6 HE1 HIS 6 -6.789 7.597 13.636 41 H SER 7 HN SER 7 -7.011 4.885 6.198 42 HA SER 7 HA SER 7 -9.835 4.510 5.512 43 HB2 SER 7 HB2 SER 7 -7.473 4.987 3.685 44 HB3 SER 7 HB1 SER 7 -9.170 4.939 3.204 45 HG SER 7 HG SER 7 -8.093 6.748 5.089 46 H CYS 8 HN CYS 8 -10.401 2.408 5.022 47 HA CYS 8 HA CYS 8 -8.198 0.503 4.799 48 HB2 CYS 8 HB2 CYS 8 -10.775 0.153 6.328 49 HB3 CYS 8 HB1 CYS 8 -9.568 -1.100 6.075 50 H VAL 9 HN VAL 9 -8.278 -0.775 3.151 51 HA VAL 9 HA VAL 9 -10.790 -1.063 1.676 52 HB VAL 9 HB VAL 9 -9.363 -2.136 -0.148 53 HG11 VAL 9 HG11 VAL 9 -10.093 0.105 -0.431 54 HG12 VAL 9 HG12 VAL 9 -8.389 0.051 -0.912 55 HG13 VAL 9 3HG1 VAL 9 -8.862 0.698 0.665 56 HG21 VAL 9 HG21 VAL 9 -6.951 -1.697 -0.119 57 HG22 VAL 9 HG22 VAL 9 -7.428 -2.728 1.234 58 HG23 VAL 9 HG23 VAL 9 -7.105 -1.012 1.498 59 HA PRO 10 HA PRO 10 -11.515 -4.991 3.341 60 HB2 PRO 10 HB2 PRO 10 -12.681 -6.303 1.256 61 HB3 PRO 10 HB1 PRO 10 -13.492 -5.059 2.213 62 HG2 PRO 10 HG2 PRO 10 -12.136 -4.806 -0.442 63 HG3 PRO 10 HG1 PRO 10 -13.691 -4.137 0.092 64 HD2 PRO 10 HD2 PRO 10 -11.476 -2.637 -0.001 65 HD3 PRO 10 HD1 PRO 10 -12.694 -2.424 1.274 66 H SER 11 HN SER 11 -10.904 -7.122 3.428 67 HA SER 11 HA SER 11 -8.372 -7.833 2.603 68 HB2 SER 11 HB2 SER 11 -10.664 -9.633 3.399 69 HB3 SER 11 HB1 SER 11 -8.936 -9.963 3.560 70 HG SER 11 HG SER 11 -10.220 -9.065 5.454 71 H GLY 12 HN GLY 12 -7.629 -8.878 0.837 72 HA2 GLY 12 HA2 GLY 12 -7.992 -10.465 -0.957 73 HA3 GLY 12 HA1 GLY 12 -9.619 -9.804 -1.129 74 H THR 13 HN THR 13 -8.229 -7.120 -0.532 75 HA THR 13 HA THR 13 -7.837 -6.376 -3.248 76 HB THR 13 HB THR 13 -7.296 -4.855 -0.686 77 HG1 THR 13 HG1 THR 13 -9.388 -5.064 -0.620 78 HG21 THR 13 HG21 THR 13 -7.690 -3.873 -3.522 79 HG22 THR 13 HG22 THR 13 -6.161 -3.883 -2.644 80 HG23 THR 13 HG23 THR 13 -7.485 -2.852 -2.098 81 H CYS 14 HN CYS 14 -5.961 -6.366 -4.342 82 HA CYS 14 HA CYS 14 -3.520 -6.841 -2.826 83 HB2 CYS 14 HB2 CYS 14 -4.047 -7.546 -5.728 84 HB3 CYS 14 HB1 CYS 14 -2.651 -8.012 -4.772 85 H ALA 15 HN ALA 15 -1.526 -5.774 -3.874 86 HA ALA 15 HA ALA 15 -2.215 -3.562 -5.613 87 HB1 ALA 15 HB1 ALA 15 -1.033 -1.952 -4.228 88 HB2 ALA 15 HB2 ALA 15 -0.734 -3.195 -3.015 89 HB3 ALA 15 HB3 ALA 15 -2.384 -2.661 -3.344 90 H ASP 16 HN ASP 16 -0.544 -2.822 -6.821 91 HA ASP 16 HA ASP 16 1.718 -4.648 -7.059 92 HB2 ASP 16 HB2 ASP 16 0.456 -4.299 -9.088 93 HB3 ASP 16 HB1 ASP 16 0.579 -2.553 -8.916 94 H PHE 17 HN PHE 17 3.468 -4.048 -5.948 95 HA PHE 17 HA PHE 17 4.048 -1.191 -5.712 96 HB2 PHE 17 HB2 PHE 17 4.898 -3.552 -4.033 97 HB3 PHE 17 HB1 PHE 17 5.536 -1.929 -3.829 98 HD1 PHE 17 HD1 PHE 17 4.057 -0.135 -3.065 99 HD2 PHE 17 HD2 PHE 17 2.831 -4.191 -3.151 100 HE1 PHE 17 HE1 PHE 17 2.233 0.397 -1.506 101 HE2 PHE 17 HE2 PHE 17 0.996 -3.681 -1.594 102 HZ PHE 17 HZ PHE 17 0.699 -1.372 -0.770 103 HA PRO 18 HA PRO 18 7.890 -2.050 -7.905 104 HB2 PRO 18 HB2 PRO 18 9.430 -0.228 -6.264 105 HB3 PRO 18 HB1 PRO 18 8.841 0.027 -7.906 106 HG2 PRO 18 HG2 PRO 18 7.913 1.418 -5.754 107 HG3 PRO 18 HG1 PRO 18 6.944 1.087 -7.200 108 HD2 PRO 18 HD2 PRO 18 6.949 -0.319 -4.559 109 HD3 PRO 18 HD1 PRO 18 5.570 0.165 -5.570 110 H TRP 19 HN TRP 19 10.225 -2.604 -7.448 111 HA TRP 19 HA TRP 19 10.542 -4.721 -5.673 112 HB2 TRP 19 HB2 TRP 19 11.936 -4.179 -7.719 113 HB3 TRP 19 HB1 TRP 19 12.667 -2.876 -6.802 114 HD1 TRP 19 HD1 TRP 19 12.720 -6.650 -7.206 115 HE1 TRP 19 HE1 TRP 19 14.770 -7.588 -5.988 116 HE3 TRP 19 3HE TRP 19 14.230 -2.417 -4.802 117 HZ2 TRP 19 HZ2 TRP 19 16.757 -6.665 -4.233 118 HZ3 TRP 19 HZ3 TRP 19 16.199 -2.532 -3.363 119 HH2 TRP 19 2HH TRP 19 17.443 -4.610 -3.082 120 HA PRO 20 HA PRO 20 11.738 -5.668 -4.321 121 HB2 PRO 20 HB2 PRO 20 12.213 -6.385 -1.711 122 HB3 PRO 20 HB1 PRO 20 13.448 -5.902 -2.868 123 HG2 PRO 20 HG2 PRO 20 12.644 -4.483 -0.513 124 HG3 PRO 20 HG1 PRO 20 13.829 -3.989 -1.725 125 HD2 PRO 20 HD2 PRO 20 10.973 -3.204 -1.459 126 HD3 PRO 20 HD1 PRO 20 12.331 -2.307 -2.171 127 H LEU 21 HN LEU 21 9.229 -4.057 -3.267 128 HA LEU 21 HA LEU 21 7.881 -6.016 -1.631 129 HB2 LEU 21 HB2 LEU 21 6.903 -3.514 -2.992 130 HB3 LEU 21 HB1 LEU 21 5.857 -4.563 -2.060 131 HG LEU 21 HG LEU 21 8.230 -3.047 -0.964 132 HD11 LEU 21 HD11 LEU 21 5.271 -2.564 -0.670 133 HD12 LEU 21 HD12 LEU 21 6.396 -1.569 -1.594 134 HD13 LEU 21 HD13 LEU 21 6.554 -1.683 0.158 135 HD21 LEU 21 HD21 LEU 21 6.097 -4.679 0.389 136 HD22 LEU 21 HD22 LEU 21 7.349 -3.741 1.198 137 HD23 LEU 21 HD23 LEU 21 7.789 -5.138 0.217 138 H GLY 22 HN GLY 22 7.538 -4.780 -4.906 139 HA2 GLY 22 HA2 GLY 22 6.764 -5.784 -6.801 140 HA3 GLY 22 HA1 GLY 22 6.933 -7.332 -5.980 141 H HIS 23 HN HIS 23 5.011 -8.208 -6.542 142 HA HIS 23 HA HIS 23 2.597 -6.704 -6.108 143 HB2 HIS 23 HB2 HIS 23 1.426 -8.764 -6.958 144 HB3 HIS 23 HB1 HIS 23 2.597 -8.096 -8.079 145 HD1 HIS 23 HD1 HIS 23 4.699 -9.605 -8.629 146 HD2 HIS 23 HD2 HIS 23 2.008 -11.281 -5.944 147 HE1 HIS 23 HE1 HIS 23 5.322 -12.020 -8.427 148 H GLN 24 HN GLN 24 1.783 -6.476 -4.168 149 HA GLN 24 HA GLN 24 1.979 -8.742 -2.313 150 HB2 GLN 24 HB2 GLN 24 2.147 -5.790 -1.685 151 HB3 GLN 24 HB1 GLN 24 1.907 -7.030 -0.464 152 HG2 GLN 24 HG2 GLN 24 4.290 -6.796 -2.290 153 HG3 GLN 24 HG1 GLN 24 4.238 -6.334 -0.589 154 HE21 GLN 24 1HE2 GLN 24 5.885 -8.289 -1.968 155 HE22 GLN 24 2HE2 GLN 24 5.633 -9.806 -1.185 156 H CYS 25 HN CYS 25 0.123 -9.339 -1.263 157 HA CYS 25 HA CYS 25 -2.159 -7.716 -1.980 158 HB2 CYS 25 HB2 CYS 25 -2.034 -9.983 -3.108 159 HB3 CYS 25 HB1 CYS 25 -2.240 -10.698 -1.511 160 H PHE 26 HN PHE 26 -3.937 -7.703 -0.396 161 HA PHE 26 HA PHE 26 -2.807 -7.901 2.298 162 HB2 PHE 26 HB2 PHE 26 -4.867 -5.963 1.255 163 HB3 PHE 26 HB1 PHE 26 -4.195 -5.993 2.880 164 HD1 PHE 26 HD1 PHE 26 -1.677 -5.637 3.114 165 HD2 PHE 26 HD2 PHE 26 -3.855 -4.723 -0.421 166 HE1 PHE 26 HE1 PHE 26 0.135 -4.148 2.386 167 HE2 PHE 26 HE2 PHE 26 -2.056 -3.236 -1.155 168 HZ PHE 26 HZ PHE 26 -0.045 -2.948 0.255 169 HA PRO 27 HA PRO 27 -6.379 -10.742 2.513 170 HB2 PRO 27 HB2 PRO 27 -4.931 -12.098 4.607 171 HB3 PRO 27 HB1 PRO 27 -5.319 -12.691 2.992 172 HG2 PRO 27 HG2 PRO 27 -2.779 -12.105 3.827 173 HG3 PRO 27 HG1 PRO 27 -3.297 -12.038 2.134 174 HD2 PRO 27 HD2 PRO 27 -2.935 -9.824 4.107 175 HD3 PRO 27 HD1 PRO 27 -2.527 -9.889 2.375 176 H ASP 28 HN ASP 28 -4.830 -8.762 4.764 177 HA ASP 28 HA ASP 28 -6.927 -9.080 6.807 178 HB2 ASP 28 HB2 ASP 28 -4.431 -7.367 6.810 179 HB3 ASP 28 HB1 ASP 28 -5.553 -7.528 8.150 180 H1 GLY 1 HN GLY 1 6.966 7.589 2.497 181 HA2 GLY 1 HA2 GLY 1 7.660 5.734 1.305 182 HA3 GLY 1 HA1 GLY 1 8.799 5.371 2.604 183 H PHE 2 HN PHE 2 7.806 3.157 1.984 184 HA PHE 2 HA PHE 2 5.662 2.668 3.891 185 HB2 PHE 2 HB2 PHE 2 4.498 2.972 1.772 186 HB3 PHE 2 HB1 PHE 2 5.547 1.798 0.995 187 HD1 PHE 2 HD1 PHE 2 4.690 -0.299 0.675 188 HD2 PHE 2 HD2 PHE 2 3.271 2.017 3.943 189 HE1 PHE 2 HE1 PHE 2 3.097 -2.079 1.238 190 HE2 PHE 2 HE2 PHE 2 1.675 0.240 4.516 191 HZ PHE 2 HZ PHE 2 1.587 -1.815 3.159 192 H CYS 3 HN CYS 3 5.985 0.911 5.042 193 HA CYS 3 HA CYS 3 8.052 -0.958 4.172 194 HB2 CYS 3 HB2 CYS 3 7.273 -0.111 6.963 195 HB3 CYS 3 HB1 CYS 3 8.450 -1.362 6.576 196 H TRP 4 HN TRP 4 7.378 -2.911 3.834 197 HA TRP 4 HA TRP 4 5.289 -4.126 5.396 198 HB2 TRP 4 HB2 TRP 4 4.070 -2.956 3.550 199 HB3 TRP 4 HB1 TRP 4 5.044 -3.830 2.383 200 HD1 TRP 4 HD1 TRP 4 4.375 -6.395 1.927 201 HE1 TRP 4 HE1 TRP 4 2.277 -7.777 2.530 202 HE3 TRP 4 3HE TRP 4 2.276 -3.243 5.359 203 HZ2 TRP 4 HZ2 TRP 4 0.036 -7.543 4.214 204 HZ3 TRP 4 HZ3 TRP 4 0.152 -3.900 6.412 205 HH2 TRP 4 2HH TRP 4 -0.936 -6.008 5.843 206 H HIS 5 HN HIS 5 5.713 -6.304 5.505 207 HA HIS 5 HA HIS 5 6.723 -8.303 5.232 208 HB2 HIS 5 HB2 HIS 5 5.546 -8.000 3.001 209 HB3 HIS 5 HB1 HIS 5 7.073 -7.439 2.341 210 HD1 HIS 5 HD1 HIS 5 8.006 -9.263 0.936 211 HD2 HIS 5 HD2 HIS 5 6.179 -10.710 4.372 212 HE1 HIS 5 HE1 HIS 5 8.272 -11.759 0.863 213 H HIS 6 HN HIS 6 8.287 -6.007 6.005 214 HA HIS 6 HA HIS 6 10.347 -5.594 6.763 215 HB2 HIS 6 HB2 HIS 6 11.166 -8.127 5.331 216 HB3 HIS 6 HB1 HIS 6 12.276 -7.147 6.274 217 HD1 HIS 6 HD1 HIS 6 12.411 -7.717 8.717 218 HD2 HIS 6 HD2 HIS 6 9.001 -9.249 6.915 219 HE1 HIS 6 HE1 HIS 6 11.309 -9.202 10.444 220 H SER 7 HN SER 7 9.389 -5.110 3.775 221 HA SER 7 HA SER 7 11.962 -4.014 2.878 222 HB2 SER 7 HB2 SER 7 9.444 -4.568 1.312 223 HB3 SER 7 HB1 SER 7 10.991 -4.047 0.648 224 HG SER 7 HG SER 7 11.727 -6.099 1.848 225 H CYS 8 HN CYS 8 12.128 -1.795 2.612 226 HA CYS 8 HA CYS 8 9.667 -0.240 3.010 227 HB2 CYS 8 HB2 CYS 8 12.464 0.436 3.930 228 HB3 CYS 8 HB1 CYS 8 11.070 1.508 4.025 229 H VAL 9 HN VAL 9 9.096 0.716 1.231 230 HA VAL 9 HA VAL 9 11.072 1.420 -0.791 231 HB VAL 9 HB VAL 9 9.136 2.186 -2.190 232 HG11 VAL 9 HG11 VAL 9 8.795 -0.570 -1.029 233 HG12 VAL 9 HG12 VAL 9 9.858 -0.120 -2.361 234 HG13 VAL 9 3HG1 VAL 9 8.109 -0.007 -2.551 235 HG21 VAL 9 HG21 VAL 9 7.638 2.934 -0.407 236 HG22 VAL 9 HG22 VAL 9 7.453 1.269 0.142 237 HG23 VAL 9 HG23 VAL 9 6.832 1.749 -1.437 238 HA PRO 10 HA PRO 10 11.793 5.430 0.651 239 HB2 PRO 10 HB2 PRO 10 12.299 6.860 -1.590 240 HB3 PRO 10 HB1 PRO 10 13.394 5.621 -0.966 241 HG2 PRO 10 HG2 PRO 10 11.356 5.415 -3.148 242 HG3 PRO 10 HG1 PRO 10 13.025 4.820 -3.126 243 HD2 PRO 10 HD2 PRO 10 10.916 3.206 -2.666 244 HD3 PRO 10 HD1 PRO 10 12.476 2.965 -1.858 245 H SER 11 HN SER 11 11.093 7.579 0.887 246 HA SER 11 HA SER 11 8.416 8.195 0.726 247 HB2 SER 11 HB2 SER 11 10.761 10.100 0.773 248 HB3 SER 11 HB1 SER 11 9.136 10.392 1.398 249 HG SER 11 HG SER 11 10.082 9.732 3.187 250 H GLY 12 HN GLY 12 7.186 8.929 -0.923 251 HA2 GLY 12 HA2 GLY 12 6.954 10.482 -2.802 252 HA3 GLY 12 HA1 GLY 12 8.565 9.998 -3.302 253 H THR 13 HN THR 13 7.663 7.172 -2.461 254 HA THR 13 HA THR 13 7.001 6.240 -5.035 255 HB THR 13 HB THR 13 6.664 4.848 -2.358 256 HG1 THR 13 HG1 THR 13 8.759 5.169 -2.379 257 HG21 THR 13 HG21 THR 13 6.922 2.775 -3.651 258 HG22 THR 13 HG22 THR 13 7.045 3.712 -5.138 259 HG23 THR 13 HG23 THR 13 5.532 3.694 -4.231 260 H CYS 14 HN CYS 14 5.041 6.221 -6.026 261 HA CYS 14 HA CYS 14 2.655 6.492 -4.331 262 HB2 CYS 14 HB2 CYS 14 2.930 7.272 -7.233 263 HB3 CYS 14 HB1 CYS 14 1.562 7.557 -6.153 264 H ALA 15 HN ALA 15 1.135 5.018 -4.439 265 HA ALA 15 HA ALA 15 1.294 3.002 -6.560 266 HB1 ALA 15 HB1 ALA 15 0.718 1.288 -4.882 267 HB2 ALA 15 HB2 ALA 15 0.809 2.511 -3.616 268 HB3 ALA 15 HB3 ALA 15 2.257 2.066 -4.514 269 H ASP 16 HN ASP 16 -0.704 2.135 -7.151 270 HA ASP 16 HA ASP 16 -2.940 3.873 -6.494 271 HB2 ASP 16 HB2 ASP 16 -4.120 2.918 -8.405 272 HB3 ASP 16 HB1 ASP 16 -2.533 3.471 -8.906 273 H PHE 17 HN PHE 17 -4.519 3.328 -5.258 274 HA PHE 17 HA PHE 17 -4.975 0.512 -4.630 275 HB2 PHE 17 HB2 PHE 17 -5.077 2.908 -2.783 276 HB3 PHE 17 HB1 PHE 17 -5.657 1.309 -2.356 277 HD1 PHE 17 HD1 PHE 17 -4.063 -0.525 -2.067 278 HD2 PHE 17 HD2 PHE 17 -2.791 3.477 -2.710 279 HE1 PHE 17 HE1 PHE 17 -1.850 -1.100 -1.208 280 HE2 PHE 17 HE2 PHE 17 -0.567 2.915 -1.854 281 HZ PHE 17 HZ PHE 17 -0.087 0.616 -1.098 282 HA PRO 18 HA PRO 18 -9.214 1.708 -5.517 283 HB2 PRO 18 HB2 PRO 18 -10.208 0.024 -3.339 284 HB3 PRO 18 HB1 PRO 18 -10.395 -0.192 -5.081 285 HG2 PRO 18 HG2 PRO 18 -8.848 -1.815 -3.583 286 HG3 PRO 18 HG1 PRO 18 -8.477 -1.428 -5.272 287 HD2 PRO 18 HD2 PRO 18 -7.265 -0.307 -2.769 288 HD3 PRO 18 HD1 PRO 18 -6.498 -0.773 -4.294 289 H TRP 19 HN TRP 19 -11.200 2.537 -4.376 290 HA TRP 19 HA TRP 19 -10.712 4.635 -2.588 291 HB2 TRP 19 HB2 TRP 19 -12.722 4.406 -4.089 292 HB3 TRP 19 HB1 TRP 19 -13.305 3.104 -3.068 293 HD1 TRP 19 HD1 TRP 19 -13.049 6.899 -3.237 294 HE1 TRP 19 HE1 TRP 19 -14.469 7.927 -1.376 295 HE3 TRP 19 3HE TRP 19 -14.205 2.645 -0.660 296 HZ2 TRP 19 HZ2 TRP 19 -15.903 7.055 0.899 297 HZ3 TRP 19 HZ3 TRP 19 -15.591 2.834 1.345 298 HH2 TRP 19 2HH TRP 19 -16.424 5.005 2.111 299 HA PRO 20 HA PRO 20 -11.404 5.675 -0.881 300 HB2 PRO 20 HB2 PRO 20 -10.835 6.256 1.769 301 HB3 PRO 20 HB1 PRO 20 -12.440 6.041 1.076 302 HG2 PRO 20 HG2 PRO 20 -11.168 4.359 2.981 303 HG3 PRO 20 HG1 PRO 20 -12.701 4.072 2.152 304 HD2 PRO 20 HD2 PRO 20 -9.989 3.021 1.534 305 HD3 PRO 20 HD1 PRO 20 -11.579 2.276 1.271 306 H LEU 21 HN LEU 21 -8.798 3.875 -0.864 307 HA LEU 21 HA LEU 21 -6.926 5.830 0.151 308 HB2 LEU 21 HB2 LEU 21 -6.517 3.121 -1.079 309 HB3 LEU 21 HB1 LEU 21 -5.180 4.227 -0.887 310 HG LEU 21 HG LEU 21 -5.080 2.680 0.881 311 HD11 LEU 21 HD11 LEU 21 -6.187 5.261 1.920 312 HD12 LEU 21 HD12 LEU 21 -4.506 4.885 1.539 313 HD13 LEU 21 HD13 LEU 21 -5.318 4.063 2.869 314 HD21 LEU 21 HD21 LEU 21 -6.909 2.316 2.486 315 HD22 LEU 21 HD22 LEU 21 -7.304 1.813 0.843 316 HD23 LEU 21 HD23 LEU 21 -7.955 3.330 1.480 317 H GLY 22 HN GLY 22 -7.542 4.336 -3.001 318 HA2 GLY 22 HA2 GLY 22 -7.320 5.236 -5.103 319 HA3 GLY 22 HA1 GLY 22 -7.191 6.829 -4.361 320 H HIS 23 HN HIS 23 -5.458 7.476 -5.643 321 HA HIS 23 HA HIS 23 -3.038 5.933 -5.703 322 HB2 HIS 23 HB2 HIS 23 -3.570 8.799 -6.527 323 HB3 HIS 23 HB1 HIS 23 -2.049 7.954 -6.780 324 HD1 HIS 23 HD1 HIS 23 -5.252 8.613 -8.366 325 HD2 HIS 23 HD2 HIS 23 -2.347 5.657 -8.536 326 HE1 HIS 23 HE1 HIS 23 -5.628 7.378 -10.528 327 H GLN 24 HN GLN 24 -1.819 5.758 -4.012 328 HA GLN 24 HA GLN 24 -1.695 8.026 -2.186 329 HB2 GLN 24 HB2 GLN 24 -1.495 5.094 -1.630 330 HB3 GLN 24 HB1 GLN 24 -0.965 6.308 -0.476 331 HG2 GLN 24 HG2 GLN 24 -3.746 6.138 -1.610 332 HG3 GLN 24 HG1 GLN 24 -3.250 5.499 -0.040 333 HE21 GLN 24 1HE2 GLN 24 -5.152 7.665 -0.812 334 HE22 GLN 24 2HE2 GLN 24 -4.638 9.030 0.107 335 H CYS 25 HN CYS 25 0.041 9.041 -2.138 336 HA CYS 25 HA CYS 25 2.546 7.786 -2.943 337 HB2 CYS 25 HB2 CYS 25 1.817 10.688 -2.474 338 HB3 CYS 25 HB1 CYS 25 3.399 10.101 -2.989 339 H PHE 26 HN PHE 26 3.906 7.249 -1.483 340 HA PHE 26 HA PHE 26 3.118 7.572 1.291 341 HB2 PHE 26 HB2 PHE 26 5.447 6.030 0.142 342 HB3 PHE 26 HB1 PHE 26 4.818 5.903 1.778 343 HD1 PHE 26 HD1 PHE 26 2.270 5.246 1.926 344 HD2 PHE 26 HD2 PHE 26 4.766 4.492 -1.429 345 HE1 PHE 26 HE1 PHE 26 0.753 3.457 1.203 346 HE2 PHE 26 HE2 PHE 26 3.253 2.705 -2.161 347 HZ PHE 26 HZ PHE 26 1.240 2.186 -0.842 348 HA PRO 27 HA PRO 27 5.950 11.076 1.426 349 HB2 PRO 27 HB2 PRO 27 5.160 12.064 3.824 350 HB3 PRO 27 HB1 PRO 27 4.237 12.311 2.339 351 HG2 PRO 27 HG2 PRO 27 3.772 10.376 4.561 352 HG3 PRO 27 HG1 PRO 27 2.596 11.305 3.617 353 HD2 PRO 27 HD2 PRO 27 3.169 8.656 3.189 354 HD3 PRO 27 HD1 PRO 27 2.541 9.750 1.940 355 H ASP 28 HN ASP 28 5.575 8.627 3.825 356 HA ASP 28 HA ASP 28 8.266 9.173 4.918 357 HB2 ASP 28 HB2 ASP 28 6.057 7.398 5.999 358 HB3 ASP 28 HB1 ASP 28 7.612 7.676 6.763 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 -5.961 -7.560 4.671 2 HA2 GLY 1 HA2 GLY 1 -7.242 -5.948 3.535 3 HA3 GLY 1 HA1 GLY 1 -8.000 -5.505 5.070 4 H PHE 2 HN PHE 2 -7.296 -3.314 4.076 5 HA PHE 2 HA PHE 2 -4.845 -2.653 5.464 6 HB2 PHE 2 HB2 PHE 2 -4.091 -3.258 3.183 7 HB3 PHE 2 HB1 PHE 2 -5.143 -2.017 2.523 8 HD1 PHE 2 HD1 PHE 2 -4.138 -0.036 1.942 9 HD2 PHE 2 HD2 PHE 2 -2.467 -2.324 5.114 10 HE1 PHE 2 HE1 PHE 2 -2.317 1.599 2.158 11 HE2 PHE 2 HE2 PHE 2 -0.643 -0.693 5.337 12 HZ PHE 2 HZ PHE 2 -0.565 1.272 3.856 13 H CYS 3 HN CYS 3 -5.171 -0.925 6.584 14 HA CYS 3 HA CYS 3 -7.110 1.048 5.656 15 HB2 CYS 3 HB2 CYS 3 -6.165 0.409 8.457 16 HB3 CYS 3 HB1 CYS 3 -7.229 1.740 8.030 17 H TRP 4 HN TRP 4 -6.379 2.986 5.229 18 HA TRP 4 HA TRP 4 -3.988 4.028 6.413 19 HB2 TRP 4 HB2 TRP 4 -3.083 2.696 4.542 20 HB3 TRP 4 HB1 TRP 4 -4.176 3.491 3.428 21 HD1 TRP 4 HD1 TRP 4 -3.542 6.017 2.715 22 HE1 TRP 4 HE1 TRP 4 -1.334 7.317 2.802 23 HE3 TRP 4 3HE TRP 4 -0.940 2.969 5.887 24 HZ2 TRP 4 HZ2 TRP 4 1.189 7.081 4.041 25 HZ3 TRP 4 HZ3 TRP 4 1.378 3.580 6.457 26 HH2 TRP 4 2HH TRP 4 2.412 5.591 5.552 27 H HIS 5 HN HIS 5 -4.209 6.203 6.525 28 HA HIS 5 HA HIS 5 -5.018 8.307 6.287 29 HB2 HIS 5 HB2 HIS 5 -4.341 7.785 3.876 30 HB3 HIS 5 HB1 HIS 5 -6.024 7.400 3.566 31 HD1 HIS 5 HD1 HIS 5 -7.128 9.303 2.385 32 HD2 HIS 5 HD2 HIS 5 -4.222 10.570 5.066 33 HE1 HIS 5 HE1 HIS 5 -7.045 11.813 2.187 34 H HIS 6 HN HIS 6 -6.647 6.029 7.282 35 HA HIS 6 HA HIS 6 -8.552 5.685 8.335 36 HB2 HIS 6 HB2 HIS 6 -9.291 8.460 7.416 37 HB3 HIS 6 HB1 HIS 6 -10.392 7.457 8.348 38 HD1 HIS 6 HD1 HIS 6 -10.245 7.835 10.809 39 HD2 HIS 6 HD2 HIS 6 -6.700 8.763 8.859 40 HE1 HIS 6 HE1 HIS 6 -8.669 8.700 12.591 41 H SER 7 HN SER 7 -8.133 5.278 5.320 42 HA SER 7 HA SER 7 -10.904 4.469 4.827 43 HB2 SER 7 HB2 SER 7 -8.642 4.974 2.888 44 HB3 SER 7 HB1 SER 7 -10.298 4.544 2.447 45 HG SER 7 HG SER 7 -10.574 6.594 3.977 46 H CYS 8 HN CYS 8 -11.202 2.241 4.288 47 HA CYS 8 HA CYS 8 -8.792 0.587 4.568 48 HB2 CYS 8 HB2 CYS 8 -11.525 0.054 5.730 49 HB3 CYS 8 HB1 CYS 8 -10.150 -1.036 5.807 50 H VAL 9 HN VAL 9 -8.601 -1.070 3.209 51 HA VAL 9 HA VAL 9 -10.860 -1.651 1.457 52 HB VAL 9 HB VAL 9 -9.187 -2.657 -0.151 53 HG11 VAL 9 HG11 VAL 9 -8.346 -0.523 -1.025 54 HG12 VAL 9 HG12 VAL 9 -8.783 0.257 0.496 55 HG13 VAL 9 3HG1 VAL 9 -10.039 -0.422 -0.538 56 HG21 VAL 9 HG21 VAL 9 -7.362 -3.089 1.412 57 HG22 VAL 9 HG22 VAL 9 -7.161 -1.359 1.675 58 HG23 VAL 9 HG23 VAL 9 -6.805 -2.055 0.095 59 HA PRO 10 HA PRO 10 -11.203 -5.552 3.453 60 HB2 PRO 10 HB2 PRO 10 -11.920 -6.806 0.888 61 HB3 PRO 10 HB1 PRO 10 -12.895 -6.603 2.345 62 HG2 PRO 10 HG2 PRO 10 -13.388 -5.178 0.133 63 HG3 PRO 10 HG1 PRO 10 -13.583 -4.476 1.748 64 HD2 PRO 10 HD2 PRO 10 -11.331 -4.156 -0.197 65 HD3 PRO 10 HD1 PRO 10 -12.148 -2.934 0.805 66 H SER 11 HN SER 11 -10.466 -7.752 3.529 67 HA SER 11 HA SER 11 -7.791 -8.135 2.863 68 HB2 SER 11 HB2 SER 11 -8.337 -10.513 3.571 69 HB3 SER 11 HB1 SER 11 -8.714 -9.259 4.751 70 HG SER 11 HG SER 11 -10.453 -10.697 3.065 71 H GLY 12 HN GLY 12 -6.842 -9.147 1.149 72 HA2 GLY 12 HA2 GLY 12 -7.050 -10.739 -0.683 73 HA3 GLY 12 HA1 GLY 12 -8.683 -10.138 -0.912 74 H THR 13 HN THR 13 -7.566 -7.377 -0.291 75 HA THR 13 HA THR 13 -7.207 -6.609 -2.988 76 HB THR 13 HB THR 13 -6.692 -5.011 -0.466 77 HG1 THR 13 HG1 THR 13 -8.772 -5.435 -0.244 78 HG21 THR 13 HG21 THR 13 -7.228 -3.076 -1.906 79 HG22 THR 13 HG22 THR 13 -7.404 -4.160 -3.287 80 HG23 THR 13 HG23 THR 13 -5.830 -3.956 -2.523 81 H CYS 14 HN CYS 14 -5.382 -6.285 -4.140 82 HA CYS 14 HA CYS 14 -2.806 -6.519 -2.755 83 HB2 CYS 14 HB2 CYS 14 -3.443 -7.369 -5.592 84 HB3 CYS 14 HB1 CYS 14 -1.936 -7.614 -4.715 85 H ALA 15 HN ALA 15 -1.290 -5.007 -3.284 86 HA ALA 15 HA ALA 15 -2.118 -2.982 -5.243 87 HB1 ALA 15 HB1 ALA 15 -0.995 -1.306 -3.860 88 HB2 ALA 15 HB2 ALA 15 -0.600 -2.554 -2.675 89 HB3 ALA 15 HB3 ALA 15 -2.282 -2.115 -2.967 90 H ASP 16 HN ASP 16 -0.604 -2.290 -6.658 91 HA ASP 16 HA ASP 16 1.766 -3.955 -6.875 92 HB2 ASP 16 HB2 ASP 16 0.373 -3.731 -8.864 93 HB3 ASP 16 HB1 ASP 16 0.529 -1.979 -8.804 94 H PHE 17 HN PHE 17 3.437 -3.276 -5.815 95 HA PHE 17 HA PHE 17 4.114 -0.415 -5.731 96 HB2 PHE 17 HB2 PHE 17 4.980 -2.733 -4.005 97 HB3 PHE 17 HB1 PHE 17 5.550 -1.087 -3.824 98 HD1 PHE 17 HD1 PHE 17 3.882 0.664 -3.161 99 HD2 PHE 17 HD2 PHE 17 3.078 -3.496 -2.952 100 HE1 PHE 17 HE1 PHE 17 2.118 1.101 -1.542 101 HE2 PHE 17 HE2 PHE 17 1.285 -3.077 -1.327 102 HZ PHE 17 HZ PHE 17 0.798 -0.778 -0.611 103 HA PRO 18 HA PRO 18 7.940 -1.553 -7.914 104 HB2 PRO 18 HB2 PRO 18 9.559 0.005 -6.023 105 HB3 PRO 18 HB1 PRO 18 9.279 0.301 -7.738 106 HG2 PRO 18 HG2 PRO 18 8.243 1.889 -5.818 107 HG3 PRO 18 HG1 PRO 18 7.412 1.579 -7.352 108 HD2 PRO 18 HD2 PRO 18 6.880 0.399 -4.645 109 HD3 PRO 18 HD1 PRO 18 5.746 0.912 -5.893 110 H TRP 19 HN TRP 19 10.163 -2.481 -7.424 111 HA TRP 19 HA TRP 19 10.044 -4.632 -5.610 112 HB2 TRP 19 HB2 TRP 19 11.493 -4.435 -7.713 113 HB3 TRP 19 HB1 TRP 19 12.539 -3.358 -6.805 114 HD1 TRP 19 HD1 TRP 19 11.479 -7.041 -7.004 115 HE1 TRP 19 HE1 TRP 19 13.248 -8.485 -5.832 116 HE3 TRP 19 3HE TRP 19 14.394 -3.322 -5.066 117 HZ2 TRP 19 HZ2 TRP 19 15.585 -8.100 -4.292 118 HZ3 TRP 19 HZ3 TRP 19 16.385 -3.946 -3.754 119 HH2 TRP 19 2HH TRP 19 16.964 -6.285 -3.378 120 HA PRO 20 HA PRO 20 11.286 -5.797 -4.246 121 HB2 PRO 20 HB2 PRO 20 11.526 -6.376 -1.537 122 HB3 PRO 20 HB1 PRO 20 12.851 -6.277 -2.696 123 HG2 PRO 20 HG2 PRO 20 12.415 -4.538 -0.505 124 HG3 PRO 20 HG1 PRO 20 13.563 -4.302 -1.828 125 HD2 PRO 20 HD2 PRO 20 10.830 -3.169 -1.467 126 HD3 PRO 20 HD1 PRO 20 12.267 -2.442 -2.217 127 H LEU 21 HN LEU 21 8.970 -3.832 -3.279 128 HA LEU 21 HA LEU 21 7.391 -5.618 -1.699 129 HB2 LEU 21 HB2 LEU 21 6.835 -2.955 -2.942 130 HB3 LEU 21 HB1 LEU 21 5.548 -3.905 -2.226 131 HG LEU 21 HG LEU 21 7.996 -2.960 -0.727 132 HD11 LEU 21 HD11 LEU 21 6.567 -1.081 -1.434 133 HD12 LEU 21 HD12 LEU 21 6.488 -1.349 0.306 134 HD13 LEU 21 HD13 LEU 21 5.170 -1.897 -0.731 135 HD21 LEU 21 HD21 LEU 21 6.729 -3.617 1.217 136 HD22 LEU 21 HD22 LEU 21 6.921 -5.001 0.141 137 HD23 LEU 21 HD23 LEU 21 5.393 -4.122 0.195 138 H GLY 22 HN GLY 22 6.996 -4.309 -4.985 139 HA2 GLY 22 HA2 GLY 22 6.053 -5.313 -6.824 140 HA3 GLY 22 HA1 GLY 22 6.156 -6.848 -5.964 141 H HIS 23 HN HIS 23 4.062 -7.610 -6.335 142 HA HIS 23 HA HIS 23 1.957 -5.790 -5.531 143 HB2 HIS 23 HB2 HIS 23 0.320 -7.359 -6.477 144 HB3 HIS 23 HB1 HIS 23 1.515 -6.914 -7.672 145 HD1 HIS 23 HD1 HIS 23 3.224 -8.914 -8.378 146 HD2 HIS 23 HD2 HIS 23 0.051 -9.982 -5.914 147 HE1 HIS 23 HE1 HIS 23 3.039 -11.418 -8.507 148 H GLN 24 HN GLN 24 1.702 -5.667 -3.527 149 HA GLN 24 HA GLN 24 1.915 -8.082 -1.921 150 HB2 GLN 24 HB2 GLN 24 1.945 -5.178 -1.141 151 HB3 GLN 24 HB1 GLN 24 1.861 -6.485 0.035 152 HG2 GLN 24 HG2 GLN 24 4.055 -6.135 -1.995 153 HG3 GLN 24 HG1 GLN 24 4.143 -5.657 -0.298 154 HE21 GLN 24 1HE2 GLN 24 5.628 -7.660 -1.929 155 HE22 GLN 24 2HE2 GLN 24 5.552 -9.120 -1.031 156 H CYS 25 HN CYS 25 0.284 -9.072 -1.196 157 HA CYS 25 HA CYS 25 -2.342 -7.860 -1.468 158 HB2 CYS 25 HB2 CYS 25 -1.513 -10.737 -1.066 159 HB3 CYS 25 HB1 CYS 25 -3.163 -10.160 -1.288 160 H PHE 26 HN PHE 26 -3.522 -7.415 0.208 161 HA PHE 26 HA PHE 26 -2.236 -7.585 2.816 162 HB2 PHE 26 HB2 PHE 26 -4.684 -6.044 1.950 163 HB3 PHE 26 HB1 PHE 26 -3.844 -5.869 3.485 164 HD1 PHE 26 HD1 PHE 26 -1.381 -5.121 3.384 165 HD2 PHE 26 HD2 PHE 26 -4.079 -4.740 0.118 166 HE1 PHE 26 HE1 PHE 26 0.077 -3.414 2.382 167 HE2 PHE 26 HE2 PHE 26 -2.627 -3.035 -0.889 168 HZ PHE 26 HZ PHE 26 -0.543 -2.370 0.241 169 HA PRO 27 HA PRO 27 -4.968 -11.170 3.494 170 HB2 PRO 27 HB2 PRO 27 -3.453 -11.335 6.017 171 HB3 PRO 27 HB1 PRO 27 -3.658 -12.548 4.751 172 HG2 PRO 27 HG2 PRO 27 -1.330 -11.282 5.096 173 HG3 PRO 27 HG1 PRO 27 -1.922 -11.704 3.480 174 HD2 PRO 27 HD2 PRO 27 -1.961 -9.059 4.876 175 HD3 PRO 27 HD1 PRO 27 -1.596 -9.452 3.185 176 H ASP 28 HN ASP 28 -4.326 -8.584 5.810 177 HA ASP 28 HA ASP 28 -6.822 -9.259 7.240 178 HB2 ASP 28 HB2 ASP 28 -4.654 -7.268 7.988 179 HB3 ASP 28 HB1 ASP 28 -6.096 -7.577 8.926 180 H1 GLY 1 HN GLY 1 7.545 7.357 2.277 181 HA2 GLY 1 HA2 GLY 1 8.235 5.510 0.988 182 HA3 GLY 1 HA1 GLY 1 9.368 5.072 2.270 183 H PHE 2 HN PHE 2 8.130 2.958 1.685 184 HA PHE 2 HA PHE 2 6.098 2.664 3.747 185 HB2 PHE 2 HB2 PHE 2 4.801 3.131 1.685 186 HB3 PHE 2 HB1 PHE 2 5.615 1.798 0.879 187 HD1 PHE 2 HD1 PHE 2 4.587 -0.278 0.852 188 HD2 PHE 2 HD2 PHE 2 3.526 2.508 3.887 189 HE1 PHE 2 HE1 PHE 2 2.845 -1.816 1.650 190 HE2 PHE 2 HE2 PHE 2 1.781 0.974 4.691 191 HZ PHE 2 HZ PHE 2 1.439 -1.192 3.571 192 H CYS 3 HN CYS 3 6.119 0.591 4.624 193 HA CYS 3 HA CYS 3 7.880 -1.295 3.296 194 HB2 CYS 3 HB2 CYS 3 9.125 0.030 5.069 195 HB3 CYS 3 HB1 CYS 3 8.064 -0.720 6.257 196 H TRP 4 HN TRP 4 7.138 -3.269 3.265 197 HA TRP 4 HA TRP 4 5.237 -4.242 5.212 198 HB2 TRP 4 HB2 TRP 4 3.853 -3.089 3.451 199 HB3 TRP 4 HB1 TRP 4 4.611 -4.100 2.234 200 HD1 TRP 4 HD1 TRP 4 3.814 -6.682 2.128 201 HE1 TRP 4 HE1 TRP 4 1.703 -7.855 2.997 202 HE3 TRP 4 3HE TRP 4 2.160 -3.056 5.317 203 HZ2 TRP 4 HZ2 TRP 4 -0.408 -7.296 4.793 204 HZ3 TRP 4 HZ3 TRP 4 0.083 -3.444 6.564 205 HH2 TRP 4 2HH TRP 4 -1.175 -5.518 6.310 206 H HIS 5 HN HIS 5 5.409 -6.488 5.283 207 HA HIS 5 HA HIS 5 6.319 -8.558 5.023 208 HB2 HIS 5 HB2 HIS 5 4.994 -8.302 2.874 209 HB3 HIS 5 HB1 HIS 5 6.479 -7.797 2.081 210 HD1 HIS 5 HD1 HIS 5 7.486 -9.676 0.791 211 HD2 HIS 5 HD2 HIS 5 5.442 -11.007 4.149 212 HE1 HIS 5 HE1 HIS 5 7.655 -12.190 0.765 213 H HIS 6 HN HIS 6 8.012 -6.455 5.723 214 HA HIS 6 HA HIS 6 10.155 -6.025 6.238 215 HB2 HIS 6 HB2 HIS 6 10.779 -8.697 4.951 216 HB3 HIS 6 HB1 HIS 6 11.890 -7.770 5.950 217 HD1 HIS 6 HD1 HIS 6 11.426 -7.786 8.546 218 HD2 HIS 6 HD2 HIS 6 8.845 -10.123 6.279 219 HE1 HIS 6 HE1 HIS 6 10.160 -9.226 10.185 220 H SER 7 HN SER 7 8.991 -5.509 3.474 221 HA SER 7 HA SER 7 11.527 -4.885 2.156 222 HB2 SER 7 HB2 SER 7 8.825 -5.450 0.931 223 HB3 SER 7 HB1 SER 7 10.313 -5.108 0.043 224 HG SER 7 HG SER 7 9.675 -7.345 1.646 225 H CYS 8 HN CYS 8 11.917 -2.763 2.321 226 HA CYS 8 HA CYS 8 9.638 -0.944 2.593 227 HB2 CYS 8 HB2 CYS 8 12.521 -0.361 3.243 228 HB3 CYS 8 HB1 CYS 8 11.097 0.509 3.784 229 H VAL 9 HN VAL 9 9.303 0.560 1.057 230 HA VAL 9 HA VAL 9 11.284 0.769 -1.073 231 HB VAL 9 HB VAL 9 9.475 1.807 -2.478 232 HG11 VAL 9 HG11 VAL 9 10.002 -0.533 -2.727 233 HG12 VAL 9 HG12 VAL 9 8.266 -0.284 -2.919 234 HG13 VAL 9 3HG1 VAL 9 8.902 -0.946 -1.413 235 HG21 VAL 9 HG21 VAL 9 7.126 1.551 -1.770 236 HG22 VAL 9 HG22 VAL 9 8.017 2.636 -0.703 237 HG23 VAL 9 HG23 VAL 9 7.675 0.984 -0.192 238 HA PRO 10 HA PRO 10 12.732 4.740 -0.095 239 HB2 PRO 10 HB2 PRO 10 12.124 5.549 -2.892 240 HB3 PRO 10 HB1 PRO 10 13.636 5.682 -1.984 241 HG2 PRO 10 HG2 PRO 10 13.369 3.791 -3.792 242 HG3 PRO 10 HG1 PRO 10 14.125 3.419 -2.231 243 HD2 PRO 10 HD2 PRO 10 11.358 2.804 -3.185 244 HD3 PRO 10 HD1 PRO 10 12.491 1.799 -2.252 245 H SER 11 HN SER 11 12.264 6.796 0.379 246 HA SER 11 HA SER 11 9.611 7.586 0.906 247 HB2 SER 11 HB2 SER 11 12.131 9.244 0.767 248 HB3 SER 11 HB1 SER 11 10.659 9.629 1.662 249 HG SER 11 HG SER 11 11.453 7.189 2.391 250 H GLY 12 HN GLY 12 8.139 8.443 -0.466 251 HA2 GLY 12 HA2 GLY 12 7.659 10.283 -1.954 252 HA3 GLY 12 HA1 GLY 12 9.174 9.923 -2.775 253 H THR 13 HN THR 13 8.148 6.988 -2.129 254 HA THR 13 HA THR 13 7.248 6.444 -4.735 255 HB THR 13 HB THR 13 7.105 4.788 -2.206 256 HG1 THR 13 HG1 THR 13 9.188 4.994 -2.611 257 HG21 THR 13 HG21 THR 13 6.837 3.918 -5.093 258 HG22 THR 13 HG22 THR 13 5.533 3.942 -3.908 259 HG23 THR 13 HG23 THR 13 6.896 2.841 -3.699 260 H CYS 14 HN CYS 14 5.294 6.803 -5.571 261 HA CYS 14 HA CYS 14 3.005 7.053 -3.792 262 HB2 CYS 14 HB2 CYS 14 3.295 7.838 -6.699 263 HB3 CYS 14 HB1 CYS 14 1.888 8.136 -5.697 264 H ALA 15 HN ALA 15 1.182 5.677 -4.074 265 HA ALA 15 HA ALA 15 1.461 3.681 -6.176 266 HB1 ALA 15 HB1 ALA 15 2.312 2.704 -4.095 267 HB2 ALA 15 HB2 ALA 15 0.828 1.914 -4.627 268 HB3 ALA 15 HB3 ALA 15 0.781 3.076 -3.302 269 H ASP 16 HN ASP 16 -0.453 2.740 -6.833 270 HA ASP 16 HA ASP 16 -2.823 4.376 -6.365 271 HB2 ASP 16 HB2 ASP 16 -2.178 4.163 -8.696 272 HB3 ASP 16 HB1 ASP 16 -2.122 2.412 -8.556 273 H PHE 17 HN PHE 17 -4.248 3.617 -5.016 274 HA PHE 17 HA PHE 17 -4.539 0.724 -4.671 275 HB2 PHE 17 HB2 PHE 17 -5.101 3.030 -2.796 276 HB3 PHE 17 HB1 PHE 17 -5.595 1.376 -2.485 277 HD1 PHE 17 HD1 PHE 17 -4.059 -0.229 -1.698 278 HD2 PHE 17 HD2 PHE 17 -2.743 3.668 -2.749 279 HE1 PHE 17 HE1 PHE 17 -1.925 -0.652 -0.559 280 HE2 PHE 17 HE2 PHE 17 -0.604 3.256 -1.615 281 HZ PHE 17 HZ PHE 17 -0.197 1.083 -0.516 282 HA PRO 18 HA PRO 18 -8.778 1.363 -6.052 283 HB2 PRO 18 HB2 PRO 18 -9.767 -0.467 -3.983 284 HB3 PRO 18 HB1 PRO 18 -9.764 -0.680 -5.735 285 HG2 PRO 18 HG2 PRO 18 -8.167 -2.121 -4.106 286 HG3 PRO 18 HG1 PRO 18 -7.680 -1.657 -5.746 287 HD2 PRO 18 HD2 PRO 18 -6.910 -0.451 -3.122 288 HD3 PRO 18 HD1 PRO 18 -5.912 -0.777 -4.556 289 H TRP 19 HN TRP 19 -10.954 1.905 -5.138 290 HA TRP 19 HA TRP 19 -10.811 4.008 -3.264 291 HB2 TRP 19 HB2 TRP 19 -12.540 3.764 -5.104 292 HB3 TRP 19 HB1 TRP 19 -13.265 2.451 -4.187 293 HD1 TRP 19 HD1 TRP 19 -12.851 6.252 -4.166 294 HE1 TRP 19 HE1 TRP 19 -14.566 7.267 -2.542 295 HE3 TRP 19 3HE TRP 19 -14.691 1.945 -2.155 296 HZ2 TRP 19 HZ2 TRP 19 -16.469 6.351 -0.675 297 HZ3 TRP 19 HZ3 TRP 19 -16.464 2.095 -0.463 298 HH2 TRP 19 2HH TRP 19 -17.329 4.246 0.264 299 HA PRO 20 HA PRO 20 -11.961 4.942 -1.672 300 HB2 PRO 20 HB2 PRO 20 -11.846 5.432 1.064 301 HB3 PRO 20 HB1 PRO 20 -13.306 5.137 0.126 302 HG2 PRO 20 HG2 PRO 20 -12.215 3.458 2.140 303 HG3 PRO 20 HG1 PRO 20 -13.565 3.093 1.059 304 HD2 PRO 20 HD2 PRO 20 -10.703 2.305 0.848 305 HD3 PRO 20 HD1 PRO 20 -12.159 1.438 0.313 306 H LEU 21 HN LEU 21 -9.275 3.277 -1.109 307 HA LEU 21 HA LEU 21 -7.667 5.207 0.260 308 HB2 LEU 21 HB2 LEU 21 -6.950 2.795 -1.389 309 HB3 LEU 21 HB1 LEU 21 -5.751 3.812 -0.616 310 HG LEU 21 HG LEU 21 -7.898 2.290 0.873 311 HD11 LEU 21 HD11 LEU 21 -6.303 0.774 -0.197 312 HD12 LEU 21 HD12 LEU 21 -6.104 0.824 1.558 313 HD13 LEU 21 HD13 LEU 21 -4.971 1.690 0.519 314 HD21 LEU 21 HD21 LEU 21 -5.431 3.719 1.790 315 HD22 LEU 21 HD22 LEU 21 -6.569 2.843 2.816 316 HD23 LEU 21 HD23 LEU 21 -7.073 4.311 1.979 317 H GLY 22 HN GLY 22 -7.840 4.157 -3.110 318 HA2 GLY 22 HA2 GLY 22 -7.560 5.373 -5.030 319 HA3 GLY 22 HA1 GLY 22 -7.615 6.830 -4.038 320 H HIS 23 HN HIS 23 -5.911 7.918 -4.808 321 HA HIS 23 HA HIS 23 -3.391 6.556 -5.191 322 HB2 HIS 23 HB2 HIS 23 -4.097 8.334 -6.778 323 HB3 HIS 23 HB1 HIS 23 -4.057 9.502 -5.462 324 HD1 HIS 23 HD1 HIS 23 -1.883 10.793 -5.316 325 HD2 HIS 23 HD2 HIS 23 -1.442 7.101 -7.173 326 HE1 HIS 23 HE1 HIS 23 0.504 10.675 -6.073 327 H GLN 24 HN GLN 24 -2.137 6.185 -3.523 328 HA GLN 24 HA GLN 24 -2.042 8.189 -1.412 329 HB2 GLN 24 HB2 GLN 24 -1.941 5.179 -1.114 330 HB3 GLN 24 HB1 GLN 24 -1.536 6.304 0.177 331 HG2 GLN 24 HG2 GLN 24 -4.212 6.116 -1.199 332 HG3 GLN 24 HG1 GLN 24 -3.824 5.449 0.386 333 HE21 GLN 24 1HE2 GLN 24 -5.772 7.520 -0.446 334 HE22 GLN 24 2HE2 GLN 24 -5.388 8.899 0.532 335 H CYS 25 HN CYS 25 -0.097 8.986 -1.078 336 HA CYS 25 HA CYS 25 2.093 7.525 -2.301 337 HB2 CYS 25 HB2 CYS 25 1.456 9.688 -3.453 338 HB3 CYS 25 HB1 CYS 25 1.937 10.532 -1.985 339 H PHE 26 HN PHE 26 4.005 7.360 -1.172 340 HA PHE 26 HA PHE 26 3.620 7.797 1.701 341 HB2 PHE 26 HB2 PHE 26 5.452 5.846 0.313 342 HB3 PHE 26 HB1 PHE 26 5.071 5.906 2.030 343 HD1 PHE 26 HD1 PHE 26 2.706 5.424 2.751 344 HD2 PHE 26 HD2 PHE 26 4.124 4.645 -1.177 345 HE1 PHE 26 HE1 PHE 26 0.820 3.896 2.375 346 HE2 PHE 26 HE2 PHE 26 2.256 3.124 -1.565 347 HZ PHE 26 HZ PHE 26 0.586 2.746 0.225 348 HA PRO 27 HA PRO 27 6.910 10.830 0.807 349 HB2 PRO 27 HB2 PRO 27 6.271 11.725 3.536 350 HB3 PRO 27 HB1 PRO 27 6.238 12.637 2.025 351 HG2 PRO 27 HG2 PRO 27 3.966 11.948 3.265 352 HG3 PRO 27 HG1 PRO 27 4.089 11.954 1.497 353 HD2 PRO 27 HD2 PRO 27 4.227 9.648 3.398 354 HD3 PRO 27 HD1 PRO 27 3.357 9.797 1.854 355 H ASP 28 HN ASP 28 6.533 8.781 3.621 356 HA ASP 28 HA ASP 28 9.392 9.103 4.249 357 HB2 ASP 28 HB2 ASP 28 7.296 7.505 5.743 358 HB3 ASP 28 HB1 ASP 28 8.946 7.784 6.256 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 -5.624 -7.071 4.364 2 HA2 GLY 1 HA2 GLY 1 -6.869 -5.438 3.266 3 HA3 GLY 1 HA1 GLY 1 -7.623 -4.992 4.800 4 H PHE 2 HN PHE 2 -6.904 -2.782 3.955 5 HA PHE 2 HA PHE 2 -4.393 -2.191 5.256 6 HB2 PHE 2 HB2 PHE 2 -3.693 -2.751 2.953 7 HB3 PHE 2 HB1 PHE 2 -4.798 -1.539 2.325 8 HD1 PHE 2 HD1 PHE 2 -3.883 0.463 1.725 9 HD2 PHE 2 HD2 PHE 2 -2.036 -1.791 4.814 10 HE1 PHE 2 HE1 PHE 2 -2.113 2.160 1.893 11 HE2 PHE 2 HE2 PHE 2 -0.264 -0.102 4.991 12 HZ PHE 2 HZ PHE 2 -0.299 1.875 3.526 13 H CYS 3 HN CYS 3 -4.268 -0.058 5.966 14 HA CYS 3 HA CYS 3 -6.493 1.675 5.311 15 HB2 CYS 3 HB2 CYS 3 -5.560 0.944 8.095 16 HB3 CYS 3 HB1 CYS 3 -6.671 2.254 7.721 17 H TRP 4 HN TRP 4 -5.843 3.705 5.059 18 HA TRP 4 HA TRP 4 -3.466 4.667 6.354 19 HB2 TRP 4 HB2 TRP 4 -2.791 3.576 4.146 20 HB3 TRP 4 HB1 TRP 4 -3.727 4.809 3.333 21 HD1 TRP 4 HD1 TRP 4 -2.689 7.372 3.493 22 HE1 TRP 4 HE1 TRP 4 -0.246 8.153 3.834 23 HE3 TRP 4 3HE TRP 4 -0.671 3.038 5.288 24 HZ2 TRP 4 HZ2 TRP 4 2.189 7.069 4.725 25 HZ3 TRP 4 HZ3 TRP 4 1.720 2.992 5.851 26 HH2 TRP 4 2HH TRP 4 3.118 4.969 5.579 27 H HIS 5 HN HIS 5 -3.866 6.747 6.904 28 HA HIS 5 HA HIS 5 -5.048 8.664 7.299 29 HB2 HIS 5 HB2 HIS 5 -5.738 8.313 4.370 30 HB3 HIS 5 HB1 HIS 5 -6.358 9.662 5.307 31 HD1 HIS 5 HD1 HIS 5 -3.945 9.266 2.864 32 HD2 HIS 5 HD2 HIS 5 -3.777 10.772 6.736 33 HE1 HIS 5 HE1 HIS 5 -2.005 10.824 2.923 34 H HIS 6 HN HIS 6 -6.223 6.007 7.707 35 HA HIS 6 HA HIS 6 -8.011 5.085 8.593 36 HB2 HIS 6 HB2 HIS 6 -9.236 7.844 8.455 37 HB3 HIS 6 HB1 HIS 6 -10.106 6.453 9.095 38 HD1 HIS 6 HD1 HIS 6 -9.817 6.086 11.564 39 HD2 HIS 6 HD2 HIS 6 -6.719 8.296 9.904 40 HE1 HIS 6 HE1 HIS 6 -8.339 6.765 13.482 41 H SER 7 HN SER 7 -7.860 6.065 5.524 42 HA SER 7 HA SER 7 -10.419 5.000 4.731 43 HB2 SER 7 HB2 SER 7 -8.008 5.774 3.070 44 HB3 SER 7 HB1 SER 7 -9.665 5.559 2.494 45 HG SER 7 HG SER 7 -10.079 7.297 4.206 46 H CYS 8 HN CYS 8 -10.668 2.871 4.083 47 HA CYS 8 HA CYS 8 -8.232 1.245 4.206 48 HB2 CYS 8 HB2 CYS 8 -10.922 0.548 5.380 49 HB3 CYS 8 HB1 CYS 8 -9.496 -0.482 5.367 50 H VAL 9 HN VAL 9 -8.322 -0.745 3.146 51 HA VAL 9 HA VAL 9 -10.468 -1.105 1.207 52 HB VAL 9 HB VAL 9 -8.787 -2.181 -0.345 53 HG11 VAL 9 HG11 VAL 9 -7.824 -0.074 -1.182 54 HG12 VAL 9 HG12 VAL 9 -8.315 0.711 0.318 55 HG13 VAL 9 3HG1 VAL 9 -9.535 0.071 -0.779 56 HG21 VAL 9 HG21 VAL 9 -6.396 -1.682 -0.044 57 HG22 VAL 9 HG22 VAL 9 -7.022 -2.661 1.285 58 HG23 VAL 9 HG23 VAL 9 -6.758 -0.932 1.512 59 HA PRO 10 HA PRO 10 -11.103 -4.867 3.270 60 HB2 PRO 10 HB2 PRO 10 -12.093 -6.440 1.296 61 HB3 PRO 10 HB1 PRO 10 -13.008 -5.120 2.034 62 HG2 PRO 10 HG2 PRO 10 -11.458 -5.139 -0.530 63 HG3 PRO 10 HG1 PRO 10 -13.076 -4.491 -0.200 64 HD2 PRO 10 HD2 PRO 10 -10.924 -2.896 -0.311 65 HD3 PRO 10 HD1 PRO 10 -12.249 -2.592 0.831 66 H SER 11 HN SER 11 -10.421 -6.973 3.575 67 HA SER 11 HA SER 11 -7.826 -7.662 2.952 68 HB2 SER 11 HB2 SER 11 -10.094 -9.502 3.708 69 HB3 SER 11 HB1 SER 11 -8.374 -9.723 4.036 70 HG SER 11 HG SER 11 -9.275 -8.931 5.856 71 H GLY 12 HN GLY 12 -6.950 -8.858 1.318 72 HA2 GLY 12 HA2 GLY 12 -7.117 -10.553 -0.381 73 HA3 GLY 12 HA1 GLY 12 -8.796 -10.076 -0.624 74 H THR 13 HN THR 13 -7.629 -7.214 -0.254 75 HA THR 13 HA THR 13 -7.310 -6.654 -3.015 76 HB THR 13 HB THR 13 -6.762 -4.951 -0.566 77 HG1 THR 13 HG1 THR 13 -8.851 -5.155 -0.520 78 HG21 THR 13 HG21 THR 13 -6.917 -3.027 -2.098 79 HG22 THR 13 HG22 THR 13 -7.089 -4.129 -3.463 80 HG23 THR 13 HG23 THR 13 -5.582 -4.089 -2.548 81 H CYS 14 HN CYS 14 -5.504 -6.946 -4.137 82 HA CYS 14 HA CYS 14 -2.998 -7.022 -2.674 83 HB2 CYS 14 HB2 CYS 14 -3.567 -8.236 -5.388 84 HB3 CYS 14 HB1 CYS 14 -2.156 -8.507 -4.376 85 H ALA 15 HN ALA 15 -1.143 -6.025 -3.844 86 HA ALA 15 HA ALA 15 -1.880 -4.192 -5.945 87 HB1 ALA 15 HB1 ALA 15 -1.063 -2.227 -4.760 88 HB2 ALA 15 HB2 ALA 15 -0.771 -3.201 -3.321 89 HB3 ALA 15 HB3 ALA 15 -2.420 -2.951 -3.894 90 H ASP 16 HN ASP 16 -0.203 -3.737 -7.240 91 HA ASP 16 HA ASP 16 2.320 -4.972 -6.548 92 HB2 ASP 16 HB2 ASP 16 2.933 -4.651 -8.924 93 HB3 ASP 16 HB1 ASP 16 1.463 -5.592 -8.737 94 H PHE 17 HN PHE 17 3.915 -3.907 -5.855 95 HA PHE 17 HA PHE 17 3.950 -0.990 -6.094 96 HB2 PHE 17 HB2 PHE 17 5.119 -2.845 -4.013 97 HB3 PHE 17 HB1 PHE 17 5.379 -1.111 -4.055 98 HD1 PHE 17 HD1 PHE 17 3.571 0.412 -3.518 99 HD2 PHE 17 HD2 PHE 17 3.075 -3.800 -3.218 100 HE1 PHE 17 HE1 PHE 17 1.599 0.748 -2.113 101 HE2 PHE 17 HE2 PHE 17 1.093 -3.465 -1.805 102 HZ PHE 17 HZ PHE 17 0.353 -1.182 -1.259 103 HA PRO 18 HA PRO 18 7.935 -1.483 -8.107 104 HB2 PRO 18 HB2 PRO 18 9.025 0.619 -6.333 105 HB3 PRO 18 HB1 PRO 18 8.915 0.606 -8.096 106 HG2 PRO 18 HG2 PRO 18 7.326 2.174 -6.652 107 HG3 PRO 18 HG1 PRO 18 6.708 1.332 -8.085 108 HD2 PRO 18 HD2 PRO 18 6.373 0.614 -5.189 109 HD3 PRO 18 HD1 PRO 18 5.180 0.613 -6.501 110 H TRP 19 HN TRP 19 10.231 -1.827 -7.588 111 HA TRP 19 HA TRP 19 10.701 -3.777 -5.585 112 HB2 TRP 19 HB2 TRP 19 11.928 -3.889 -7.633 113 HB3 TRP 19 HB1 TRP 19 12.477 -2.230 -7.472 114 HD1 TRP 19 HD1 TRP 19 14.249 -1.790 -5.823 115 HE1 TRP 19 HE1 TRP 19 16.267 -3.184 -4.837 116 HE3 TRP 19 3HE TRP 19 12.431 -6.315 -6.785 117 HZ2 TRP 19 HZ2 TRP 19 16.845 -5.918 -4.514 118 HZ3 TRP 19 HZ3 TRP 19 13.688 -8.283 -6.073 119 HH2 TRP 19 2HH TRP 19 15.845 -8.106 -4.985 120 HA PRO 20 HA PRO 20 12.232 -4.608 -4.494 121 HB2 PRO 20 HB2 PRO 20 12.546 -4.891 -1.580 122 HB3 PRO 20 HB1 PRO 20 13.653 -5.345 -2.883 123 HG2 PRO 20 HG2 PRO 20 14.236 -3.283 -1.378 124 HG3 PRO 20 HG1 PRO 20 14.408 -3.271 -3.162 125 HD2 PRO 20 HD2 PRO 20 12.034 -2.193 -1.590 126 HD3 PRO 20 HD1 PRO 20 13.092 -1.279 -2.699 127 H LEU 21 HN LEU 21 9.616 -3.127 -3.382 128 HA LEU 21 HA LEU 21 8.556 -5.087 -1.581 129 HB2 LEU 21 HB2 LEU 21 8.071 -2.675 -1.387 130 HB3 LEU 21 HB1 LEU 21 7.155 -2.745 -2.876 131 HG LEU 21 HG LEU 21 5.457 -4.131 -1.799 132 HD11 LEU 21 HD11 LEU 21 6.899 -5.409 -0.323 133 HD12 LEU 21 HD12 LEU 21 5.629 -4.617 0.605 134 HD13 LEU 21 HD13 LEU 21 7.264 -3.959 0.609 135 HD21 LEU 21 HD21 LEU 21 5.278 -1.704 -1.558 136 HD22 LEU 21 HD22 LEU 21 6.236 -1.779 -0.078 137 HD23 LEU 21 HD23 LEU 21 4.647 -2.541 -0.141 138 H GLY 22 HN GLY 22 7.728 -4.063 -4.884 139 HA2 GLY 22 HA2 GLY 22 6.989 -5.318 -6.665 140 HA3 GLY 22 HA1 GLY 22 7.383 -6.754 -5.734 141 H HIS 23 HN HIS 23 5.547 -7.848 -6.368 142 HA HIS 23 HA HIS 23 2.919 -6.740 -5.967 143 HB2 HIS 23 HB2 HIS 23 3.863 -9.502 -6.720 144 HB3 HIS 23 HB1 HIS 23 2.170 -9.113 -6.474 145 HD1 HIS 23 HD1 HIS 23 0.970 -8.550 -8.589 146 HD2 HIS 23 HD2 HIS 23 5.032 -7.750 -8.827 147 HE1 HIS 23 HE1 HIS 23 1.401 -7.863 -10.956 148 H GLN 24 HN GLN 24 1.996 -6.598 -4.084 149 HA GLN 24 HA GLN 24 2.506 -8.696 -2.105 150 HB2 GLN 24 HB2 GLN 24 2.298 -5.723 -1.655 151 HB3 GLN 24 HB1 GLN 24 2.232 -6.927 -0.377 152 HG2 GLN 24 HG2 GLN 24 4.546 -6.468 -2.239 153 HG3 GLN 24 HG1 GLN 24 4.437 -5.911 -0.569 154 HE21 GLN 24 1HE2 GLN 24 6.368 -7.682 -1.796 155 HE22 GLN 24 2HE2 GLN 24 6.272 -9.170 -0.910 156 H CYS 25 HN CYS 25 0.709 -8.917 -0.588 157 HA CYS 25 HA CYS 25 -1.678 -7.685 -1.613 158 HB2 CYS 25 HB2 CYS 25 -1.461 -10.058 -2.462 159 HB3 CYS 25 HB1 CYS 25 -1.598 -10.592 -0.789 160 H PHE 26 HN PHE 26 -3.409 -7.540 -0.050 161 HA PHE 26 HA PHE 26 -2.302 -7.362 2.649 162 HB2 PHE 26 HB2 PHE 26 -4.561 -5.802 1.382 163 HB3 PHE 26 HB1 PHE 26 -3.983 -5.603 3.031 164 HD1 PHE 26 HD1 PHE 26 -1.700 -4.722 3.421 165 HD2 PHE 26 HD2 PHE 26 -3.463 -4.766 -0.442 166 HE1 PHE 26 HE1 PHE 26 -0.047 -3.085 2.656 167 HE2 PHE 26 HE2 PHE 26 -1.809 -3.125 -1.220 168 HZ PHE 26 HZ PHE 26 -0.089 -2.283 0.344 169 HA PRO 27 HA PRO 27 -5.399 -10.710 3.065 170 HB2 PRO 27 HB2 PRO 27 -3.868 -11.453 5.432 171 HB3 PRO 27 HB1 PRO 27 -4.140 -12.378 3.955 172 HG2 PRO 27 HG2 PRO 27 -1.721 -11.347 4.624 173 HG3 PRO 27 HG1 PRO 27 -2.249 -11.588 2.950 174 HD2 PRO 27 HD2 PRO 27 -2.163 -9.081 4.571 175 HD3 PRO 27 HD1 PRO 27 -1.761 -9.345 2.860 176 H ASP 28 HN ASP 28 -4.190 -8.405 5.309 177 HA ASP 28 HA ASP 28 -6.459 -8.723 7.136 178 HB2 ASP 28 HB2 ASP 28 -4.261 -8.446 8.149 179 HB3 ASP 28 HB1 ASP 28 -3.988 -6.975 7.226 180 H1 GLY 1 HN GLY 1 6.959 7.168 2.601 181 HA2 GLY 1 HA2 GLY 1 7.822 5.285 1.473 182 HA3 GLY 1 HA1 GLY 1 8.931 5.012 2.809 183 H PHE 2 HN PHE 2 7.870 2.799 2.325 184 HA PHE 2 HA PHE 2 5.853 2.318 4.324 185 HB2 PHE 2 HB2 PHE 2 4.419 2.965 2.475 186 HB3 PHE 2 HB1 PHE 2 5.270 1.885 1.386 187 HD1 PHE 2 HD1 PHE 2 4.135 -0.012 0.814 188 HD2 PHE 2 HD2 PHE 2 3.524 1.651 4.682 189 HE1 PHE 2 HE1 PHE 2 2.519 -1.790 1.313 190 HE2 PHE 2 HE2 PHE 2 1.912 -0.125 5.194 191 HZ PHE 2 HZ PHE 2 1.404 -1.848 3.514 192 H CYS 3 HN CYS 3 5.904 0.213 5.061 193 HA CYS 3 HA CYS 3 7.687 -1.630 3.669 194 HB2 CYS 3 HB2 CYS 3 7.470 -1.120 6.635 195 HB3 CYS 3 HB1 CYS 3 8.384 -2.437 5.910 196 H TRP 4 HN TRP 4 6.916 -3.643 3.473 197 HA TRP 4 HA TRP 4 4.754 -4.589 5.115 198 HB2 TRP 4 HB2 TRP 4 3.637 -3.230 3.354 199 HB3 TRP 4 HB1 TRP 4 4.387 -4.216 2.121 200 HD1 TRP 4 HD1 TRP 4 3.024 -6.299 1.378 201 HE1 TRP 4 HE1 TRP 4 0.831 -7.429 2.189 202 HE3 TRP 4 3HE TRP 4 2.316 -3.704 5.698 203 HZ2 TRP 4 HZ2 TRP 4 -0.920 -7.245 4.372 204 HZ3 TRP 4 HZ3 TRP 4 0.368 -4.239 7.096 205 HH2 TRP 4 2HH TRP 4 -1.216 -5.972 6.443 206 H HIS 5 HN HIS 5 5.003 -6.705 5.352 207 HA HIS 5 HA HIS 5 5.944 -8.744 5.334 208 HB2 HIS 5 HB2 HIS 5 5.575 -8.370 2.355 209 HB3 HIS 5 HB1 HIS 5 6.085 -9.891 3.072 210 HD1 HIS 5 HD1 HIS 5 3.360 -9.297 1.487 211 HD2 HIS 5 HD2 HIS 5 3.834 -9.720 5.582 212 HE1 HIS 5 HE1 HIS 5 1.105 -10.023 2.389 213 H HIS 6 HN HIS 6 7.756 -6.739 5.684 214 HA HIS 6 HA HIS 6 9.928 -6.527 6.074 215 HB2 HIS 6 HB2 HIS 6 10.157 -9.259 4.819 216 HB3 HIS 6 HB1 HIS 6 11.549 -8.397 5.451 217 HD1 HIS 6 HD1 HIS 6 11.914 -8.531 8.019 218 HD2 HIS 6 HD2 HIS 6 8.228 -10.009 6.768 219 HE1 HIS 6 HE1 HIS 6 10.895 -9.644 10.017 220 H SER 7 HN SER 7 8.654 -5.945 3.285 221 HA SER 7 HA SER 7 11.235 -5.115 2.181 222 HB2 SER 7 HB2 SER 7 8.683 -5.758 0.700 223 HB3 SER 7 HB1 SER 7 10.150 -5.107 -0.045 224 HG SER 7 HG SER 7 10.387 -7.387 1.525 225 H CYS 8 HN CYS 8 11.375 -2.972 1.462 226 HA CYS 8 HA CYS 8 9.150 -1.257 2.302 227 HB2 CYS 8 HB2 CYS 8 12.084 -0.809 2.820 228 HB3 CYS 8 HB1 CYS 8 10.790 0.318 3.203 229 H VAL 9 HN VAL 9 8.678 0.346 0.982 230 HA VAL 9 HA VAL 9 10.393 0.773 -1.331 231 HB VAL 9 HB VAL 9 8.496 2.195 -2.223 232 HG11 VAL 9 HG11 VAL 9 8.796 -0.098 -2.966 233 HG12 VAL 9 HG12 VAL 9 7.081 0.311 -2.873 234 HG13 VAL 9 3HG1 VAL 9 7.823 -0.667 -1.610 235 HG21 VAL 9 HG21 VAL 9 7.376 2.710 -0.112 236 HG22 VAL 9 HG22 VAL 9 6.969 1.007 0.098 237 HG23 VAL 9 HG23 VAL 9 6.261 1.925 -1.231 238 HA PRO 10 HA PRO 10 12.105 4.303 0.529 239 HB2 PRO 10 HB2 PRO 10 12.790 5.748 -1.677 240 HB3 PRO 10 HB1 PRO 10 13.676 4.321 -1.131 241 HG2 PRO 10 HG2 PRO 10 11.606 4.549 -3.281 242 HG3 PRO 10 HG1 PRO 10 13.138 3.657 -3.293 243 HD2 PRO 10 HD2 PRO 10 10.777 2.444 -2.862 244 HD3 PRO 10 HD1 PRO 10 12.271 1.905 -2.069 245 H SER 11 HN SER 11 11.948 6.659 0.639 246 HA SER 11 HA SER 11 9.310 7.510 0.864 247 HB2 SER 11 HB2 SER 11 10.628 9.712 1.287 248 HB3 SER 11 HB1 SER 11 10.830 8.360 2.402 249 HG SER 11 HG SER 11 12.567 9.437 0.547 250 H GLY 12 HN GLY 12 8.020 8.335 -0.676 251 HA2 GLY 12 HA2 GLY 12 7.759 10.080 -2.369 252 HA3 GLY 12 HA1 GLY 12 9.302 9.560 -3.036 253 H THR 13 HN THR 13 8.105 6.766 -2.202 254 HA THR 13 HA THR 13 7.222 6.060 -4.808 255 HB THR 13 HB THR 13 6.960 4.511 -2.212 256 HG1 THR 13 HG1 THR 13 9.084 4.741 -2.435 257 HG21 THR 13 HG21 THR 13 6.953 3.595 -5.096 258 HG22 THR 13 HG22 THR 13 5.557 3.627 -4.022 259 HG23 THR 13 HG23 THR 13 6.899 2.532 -3.691 260 H CYS 14 HN CYS 14 5.185 6.214 -5.586 261 HA CYS 14 HA CYS 14 3.095 6.745 -3.637 262 HB2 CYS 14 HB2 CYS 14 3.164 7.566 -6.553 263 HB3 CYS 14 HB1 CYS 14 1.892 7.951 -5.407 264 H ALA 15 HN ALA 15 1.034 5.594 -3.906 265 HA ALA 15 HA ALA 15 1.064 3.569 -5.984 266 HB1 ALA 15 HB1 ALA 15 0.420 1.842 -4.410 267 HB2 ALA 15 HB2 ALA 15 0.542 2.992 -3.079 268 HB3 ALA 15 HB3 ALA 15 1.988 2.524 -3.974 269 H ASP 16 HN ASP 16 -0.893 2.968 -6.678 270 HA ASP 16 HA ASP 16 -3.133 4.562 -5.715 271 HB2 ASP 16 HB2 ASP 16 -4.246 4.128 -7.823 272 HB3 ASP 16 HB1 ASP 16 -2.620 4.680 -8.168 273 H PHE 17 HN PHE 17 -4.845 3.632 -4.804 274 HA PHE 17 HA PHE 17 -4.923 0.715 -4.629 275 HB2 PHE 17 HB2 PHE 17 -5.505 2.798 -2.508 276 HB3 PHE 17 HB1 PHE 17 -5.875 1.092 -2.337 277 HD1 PHE 17 HD1 PHE 17 -4.103 -0.535 -2.045 278 HD2 PHE 17 HD2 PHE 17 -3.248 3.625 -2.319 279 HE1 PHE 17 HE1 PHE 17 -1.872 -0.933 -1.106 280 HE2 PHE 17 HE2 PHE 17 -1.015 3.230 -1.381 281 HZ PHE 17 HZ PHE 17 -0.325 0.944 -0.776 282 HA PRO 18 HA PRO 18 -9.235 1.118 -5.802 283 HB2 PRO 18 HB2 PRO 18 -10.029 -0.593 -3.530 284 HB3 PRO 18 HB1 PRO 18 -10.251 -0.865 -5.257 285 HG2 PRO 18 HG2 PRO 18 -8.474 -2.268 -3.843 286 HG3 PRO 18 HG1 PRO 18 -8.147 -1.786 -5.515 287 HD2 PRO 18 HD2 PRO 18 -7.123 -0.608 -2.968 288 HD3 PRO 18 HD1 PRO 18 -6.285 -0.884 -4.504 289 H TRP 19 HN TRP 19 -11.374 1.646 -4.914 290 HA TRP 19 HA TRP 19 -11.359 3.868 -3.137 291 HB2 TRP 19 HB2 TRP 19 -12.883 3.889 -4.965 292 HB3 TRP 19 HB1 TRP 19 -13.493 2.290 -4.571 293 HD1 TRP 19 HD1 TRP 19 -15.011 2.128 -2.646 294 HE1 TRP 19 HE1 TRP 19 -16.793 3.753 -1.540 295 HE3 TRP 19 3HE TRP 19 -13.114 6.406 -4.315 296 HZ2 TRP 19 HZ2 TRP 19 -17.166 6.522 -1.433 297 HZ3 TRP 19 HZ3 TRP 19 -14.155 8.510 -3.645 298 HH2 TRP 19 2HH TRP 19 -16.139 8.575 -2.258 299 HA PRO 20 HA PRO 20 -12.650 4.894 -1.936 300 HB2 PRO 20 HB2 PRO 20 -12.458 5.479 0.941 301 HB3 PRO 20 HB1 PRO 20 -13.736 5.887 -0.213 302 HG2 PRO 20 HG2 PRO 20 -14.175 4.037 1.584 303 HG3 PRO 20 HG1 PRO 20 -14.656 3.867 -0.136 304 HD2 PRO 20 HD2 PRO 20 -12.124 2.756 1.140 305 HD3 PRO 20 HD1 PRO 20 -13.405 1.830 0.313 306 H LEU 21 HN LEU 21 -10.013 3.280 -0.895 307 HA LEU 21 HA LEU 21 -8.518 5.213 0.543 308 HB2 LEU 21 HB2 LEU 21 -8.140 2.788 0.718 309 HB3 LEU 21 HB1 LEU 21 -7.564 2.761 -0.933 310 HG LEU 21 HG LEU 21 -5.602 4.061 -0.306 311 HD11 LEU 21 HD11 LEU 21 -6.799 4.023 2.460 312 HD12 LEU 21 HD12 LEU 21 -6.581 5.448 1.431 313 HD13 LEU 21 HD13 LEU 21 -5.182 4.578 2.047 314 HD21 LEU 21 HD21 LEU 21 -6.115 1.773 1.581 315 HD22 LEU 21 HD22 LEU 21 -4.539 2.445 1.162 316 HD23 LEU 21 HD23 LEU 21 -5.510 1.640 -0.071 317 H GLY 22 HN GLY 22 -8.467 4.145 -2.817 318 HA2 GLY 22 HA2 GLY 22 -8.011 5.317 -4.724 319 HA3 GLY 22 HA1 GLY 22 -8.035 6.781 -3.756 320 H HIS 23 HN HIS 23 -6.254 7.807 -4.391 321 HA HIS 23 HA HIS 23 -3.799 6.308 -4.812 322 HB2 HIS 23 HB2 HIS 23 -4.467 9.213 -5.343 323 HB3 HIS 23 HB1 HIS 23 -2.890 8.497 -5.637 324 HD1 HIS 23 HD1 HIS 23 -2.564 7.544 -7.997 325 HD2 HIS 23 HD2 HIS 23 -6.567 7.980 -6.942 326 HE1 HIS 23 HE1 HIS 23 -3.890 6.960 -10.034 327 H GLN 24 HN GLN 24 -2.302 6.148 -3.332 328 HA GLN 24 HA GLN 24 -2.133 8.203 -1.264 329 HB2 GLN 24 HB2 GLN 24 -2.052 5.219 -0.847 330 HB3 GLN 24 HB1 GLN 24 -1.568 6.392 0.362 331 HG2 GLN 24 HG2 GLN 24 -4.321 6.173 -0.830 332 HG3 GLN 24 HG1 GLN 24 -3.829 5.543 0.742 333 HE21 GLN 24 1HE2 GLN 24 -5.832 7.553 0.025 334 HE22 GLN 24 2HE2 GLN 24 -5.418 8.980 0.899 335 H CYS 25 HN CYS 25 -0.197 9.026 -1.321 336 HA CYS 25 HA CYS 25 1.874 7.373 -2.448 337 HB2 CYS 25 HB2 CYS 25 1.512 9.641 -3.449 338 HB3 CYS 25 HB1 CYS 25 1.967 10.351 -1.902 339 H PHE 26 HN PHE 26 3.989 7.325 -1.328 340 HA PHE 26 HA PHE 26 3.577 7.582 1.553 341 HB2 PHE 26 HB2 PHE 26 5.369 5.634 0.091 342 HB3 PHE 26 HB1 PHE 26 5.102 5.698 1.827 343 HD1 PHE 26 HD1 PHE 26 2.674 5.338 2.631 344 HD2 PHE 26 HD2 PHE 26 4.075 4.257 -1.235 345 HE1 PHE 26 HE1 PHE 26 0.798 3.769 2.395 346 HE2 PHE 26 HE2 PHE 26 2.208 2.690 -1.482 347 HZ PHE 26 HZ PHE 26 0.558 2.444 0.341 348 HA PRO 27 HA PRO 27 6.884 10.598 0.477 349 HB2 PRO 27 HB2 PRO 27 5.957 11.883 2.960 350 HB3 PRO 27 HB1 PRO 27 6.084 12.562 1.337 351 HG2 PRO 27 HG2 PRO 27 3.695 12.047 2.415 352 HG3 PRO 27 HG1 PRO 27 4.008 11.773 0.693 353 HD2 PRO 27 HD2 PRO 27 3.964 9.788 2.937 354 HD3 PRO 27 HD1 PRO 27 3.221 9.680 1.324 355 H ASP 28 HN ASP 28 6.148 8.896 3.409 356 HA ASP 28 HA ASP 28 8.897 9.225 4.403 357 HB2 ASP 28 HB2 ASP 28 7.149 9.582 6.087 358 HB3 ASP 28 HB1 ASP 28 6.422 8.032 5.712 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 -5.851 -7.490 4.795 2 HA2 GLY 1 HA2 GLY 1 -6.978 -5.674 3.879 3 HA3 GLY 1 HA1 GLY 1 -7.557 -5.259 5.493 4 H PHE 2 HN PHE 2 -6.849 -3.073 4.591 5 HA PHE 2 HA PHE 2 -4.314 -2.464 5.763 6 HB2 PHE 2 HB2 PHE 2 -3.596 -3.237 3.542 7 HB3 PHE 2 HB1 PHE 2 -4.695 -2.108 2.775 8 HD1 PHE 2 HD1 PHE 2 -3.804 -0.166 1.977 9 HD2 PHE 2 HD2 PHE 2 -1.921 -2.102 5.255 10 HE1 PHE 2 HE1 PHE 2 -2.034 1.528 1.953 11 HE2 PHE 2 HE2 PHE 2 -0.149 -0.414 5.241 12 HZ PHE 2 HZ PHE 2 -0.203 1.410 3.585 13 H CYS 3 HN CYS 3 -4.064 -0.225 6.095 14 HA CYS 3 HA CYS 3 -6.250 1.523 5.295 15 HB2 CYS 3 HB2 CYS 3 -5.174 1.169 8.095 16 HB3 CYS 3 HB1 CYS 3 -6.259 2.453 7.590 17 H TRP 4 HN TRP 4 -5.466 3.451 4.619 18 HA TRP 4 HA TRP 4 -3.029 4.556 5.679 19 HB2 TRP 4 HB2 TRP 4 -2.352 2.953 3.793 20 HB3 TRP 4 HB1 TRP 4 -3.212 4.028 2.701 21 HD1 TRP 4 HD1 TRP 4 -1.997 6.319 2.051 22 HE1 TRP 4 HE1 TRP 4 0.421 7.174 2.401 23 HE3 TRP 4 3HE TRP 4 -0.412 2.874 5.476 24 HZ2 TRP 4 HZ2 TRP 4 2.689 6.453 3.940 25 HZ3 TRP 4 HZ3 TRP 4 1.887 3.024 6.330 26 HH2 TRP 4 2HH TRP 4 3.400 4.779 5.574 27 H HIS 5 HN HIS 5 -3.035 6.803 5.358 28 HA HIS 5 HA HIS 5 -3.925 8.849 5.133 29 HB2 HIS 5 HB2 HIS 5 -3.342 8.337 2.739 30 HB3 HIS 5 HB1 HIS 5 -4.978 7.747 2.499 31 HD1 HIS 5 HD1 HIS 5 -6.415 9.448 1.359 32 HD2 HIS 5 HD2 HIS 5 -3.461 11.180 3.700 33 HE1 HIS 5 HE1 HIS 5 -6.723 11.936 1.135 34 H HIS 6 HN HIS 6 -5.437 6.875 6.515 35 HA HIS 6 HA HIS 6 -7.290 6.750 7.741 36 HB2 HIS 6 HB2 HIS 6 -8.185 9.278 6.326 37 HB3 HIS 6 HB1 HIS 6 -9.056 8.530 7.656 38 HD1 HIS 6 HD1 HIS 6 -7.953 8.749 10.044 39 HD2 HIS 6 HD2 HIS 6 -5.947 10.749 7.004 40 HE1 HIS 6 HE1 HIS 6 -6.361 10.351 11.182 41 H SER 7 HN SER 7 -7.148 5.941 4.642 42 HA SER 7 HA SER 7 -9.970 5.234 4.463 43 HB2 SER 7 HB2 SER 7 -7.757 5.103 2.386 44 HB3 SER 7 HB1 SER 7 -9.464 4.831 2.079 45 HG SER 7 HG SER 7 -9.376 7.123 3.249 46 H CYS 8 HN CYS 8 -10.472 2.971 4.289 47 HA CYS 8 HA CYS 8 -8.196 1.127 4.606 48 HB2 CYS 8 HB2 CYS 8 -10.839 0.976 6.079 49 HB3 CYS 8 HB1 CYS 8 -9.609 -0.275 6.066 50 H VAL 9 HN VAL 9 -8.402 -0.873 3.954 51 HA VAL 9 HA VAL 9 -10.457 -1.231 1.957 52 HB VAL 9 HB VAL 9 -8.218 -0.347 1.226 53 HG11 VAL 9 HG11 VAL 9 -7.335 -3.187 1.574 54 HG12 VAL 9 HG12 VAL 9 -6.697 -1.749 2.365 55 HG13 VAL 9 3HG1 VAL 9 -6.461 -1.978 0.630 56 HG21 VAL 9 HG21 VAL 9 -8.263 -1.447 -0.892 57 HG22 VAL 9 HG22 VAL 9 -9.876 -1.044 -0.273 58 HG23 VAL 9 HG23 VAL 9 -9.287 -2.726 -0.216 59 HA PRO 10 HA PRO 10 -11.018 -5.112 3.990 60 HB2 PRO 10 HB2 PRO 10 -11.905 -6.560 1.854 61 HB3 PRO 10 HB1 PRO 10 -12.893 -5.395 2.745 62 HG2 PRO 10 HG2 PRO 10 -11.356 -5.022 0.203 63 HG3 PRO 10 HG1 PRO 10 -13.019 -4.521 0.575 64 HD2 PRO 10 HD2 PRO 10 -11.023 -2.734 0.699 65 HD3 PRO 10 HD1 PRO 10 -12.295 -2.754 1.935 66 H SER 11 HN SER 11 -10.394 -7.287 4.086 67 HA SER 11 HA SER 11 -7.743 -7.874 3.366 68 HB2 SER 11 HB2 SER 11 -8.462 -10.165 4.238 69 HB3 SER 11 HB1 SER 11 -8.615 -8.816 5.363 70 HG SER 11 HG SER 11 -10.508 -10.430 4.281 71 H GLY 12 HN GLY 12 -6.961 -9.066 1.718 72 HA2 GLY 12 HA2 GLY 12 -7.203 -10.657 -0.050 73 HA3 GLY 12 HA1 GLY 12 -8.901 -10.207 -0.167 74 H THR 13 HN THR 13 -7.703 -7.302 0.189 75 HA THR 13 HA THR 13 -7.675 -6.680 -2.579 76 HB THR 13 HB THR 13 -6.735 -5.005 -0.228 77 HG1 THR 13 HG1 THR 13 -8.777 -5.303 0.259 78 HG21 THR 13 HG21 THR 13 -7.750 -4.185 -2.958 79 HG22 THR 13 HG22 THR 13 -6.062 -4.146 -2.454 80 HG23 THR 13 HG23 THR 13 -7.239 -3.093 -1.669 81 H CYS 14 HN CYS 14 -5.938 -6.384 -3.963 82 HA CYS 14 HA CYS 14 -3.265 -6.680 -2.820 83 HB2 CYS 14 HB2 CYS 14 -4.207 -7.797 -5.476 84 HB3 CYS 14 HB1 CYS 14 -2.583 -7.916 -4.817 85 H ALA 15 HN ALA 15 -1.818 -5.231 -3.512 86 HA ALA 15 HA ALA 15 -2.806 -3.323 -5.486 87 HB1 ALA 15 HB1 ALA 15 -2.931 -2.362 -3.247 88 HB2 ALA 15 HB2 ALA 15 -1.729 -1.525 -4.231 89 HB3 ALA 15 HB3 ALA 15 -1.215 -2.687 -3.008 90 H ASP 16 HN ASP 16 -1.275 -2.319 -6.734 91 HA ASP 16 HA ASP 16 1.082 -3.941 -7.254 92 HB2 ASP 16 HB2 ASP 16 -0.440 -3.472 -9.108 93 HB3 ASP 16 HB1 ASP 16 -0.257 -1.752 -8.835 94 H PHE 17 HN PHE 17 2.861 -3.338 -6.254 95 HA PHE 17 HA PHE 17 3.369 -0.493 -5.741 96 HB2 PHE 17 HB2 PHE 17 4.365 -2.991 -4.392 97 HB3 PHE 17 HB1 PHE 17 4.949 -1.377 -4.034 98 HD1 PHE 17 HD1 PHE 17 3.544 0.184 -2.835 99 HD2 PHE 17 HD2 PHE 17 2.289 -3.801 -3.586 100 HE1 PHE 17 HE1 PHE 17 1.862 0.380 -1.067 101 HE2 PHE 17 HE2 PHE 17 0.588 -3.597 -1.820 102 HZ PHE 17 HZ PHE 17 0.393 -1.493 -0.558 103 HA PRO 18 HA PRO 18 7.217 -0.977 -8.124 104 HB2 PRO 18 HB2 PRO 18 8.598 0.536 -5.990 105 HB3 PRO 18 HB1 PRO 18 8.413 0.952 -7.692 106 HG2 PRO 18 HG2 PRO 18 7.083 2.290 -5.816 107 HG3 PRO 18 HG1 PRO 18 6.316 1.897 -7.366 108 HD2 PRO 18 HD2 PRO 18 6.025 0.526 -4.715 109 HD3 PRO 18 HD1 PRO 18 4.770 0.996 -5.885 110 H TRP 19 HN TRP 19 9.521 -1.710 -7.734 111 HA TRP 19 HA TRP 19 9.695 -4.057 -6.161 112 HB2 TRP 19 HB2 TRP 19 11.011 -3.489 -8.259 113 HB3 TRP 19 HB1 TRP 19 11.952 -2.366 -7.291 114 HD1 TRP 19 HD1 TRP 19 11.366 -6.096 -7.834 115 HE1 TRP 19 HE1 TRP 19 13.360 -7.407 -6.917 116 HE3 TRP 19 3HE TRP 19 13.875 -2.246 -5.626 117 HZ2 TRP 19 HZ2 TRP 19 15.725 -6.873 -5.448 118 HZ3 TRP 19 HZ3 TRP 19 15.996 -2.722 -4.488 119 HH2 TRP 19 2HH TRP 19 16.904 -4.991 -4.400 120 HA PRO 20 HA PRO 20 11.098 -5.215 -4.959 121 HB2 PRO 20 HB2 PRO 20 11.595 -6.043 -2.338 122 HB3 PRO 20 HB1 PRO 20 12.812 -5.664 -3.553 123 HG2 PRO 20 HG2 PRO 20 12.315 -4.232 -1.159 124 HG3 PRO 20 HG1 PRO 20 13.368 -3.740 -2.492 125 HD2 PRO 20 HD2 PRO 20 10.560 -2.933 -1.894 126 HD3 PRO 20 HD1 PRO 20 11.873 -1.994 -2.640 127 H LEU 21 HN LEU 21 8.699 -3.601 -3.668 128 HA LEU 21 HA LEU 21 7.327 -5.591 -2.136 129 HB2 LEU 21 HB2 LEU 21 6.239 -3.102 -3.436 130 HB3 LEU 21 HB1 LEU 21 5.418 -4.059 -2.218 131 HG LEU 21 HG LEU 21 7.904 -2.395 -1.842 132 HD11 LEU 21 HD11 LEU 21 6.500 -1.094 -0.337 133 HD12 LEU 21 HD12 LEU 21 5.115 -2.101 -0.762 134 HD13 LEU 21 HD13 LEU 21 5.876 -1.080 -1.986 135 HD21 LEU 21 HD21 LEU 21 6.407 -4.070 0.151 136 HD22 LEU 21 HD22 LEU 21 7.742 -2.970 0.512 137 HD23 LEU 21 HD23 LEU 21 8.013 -4.390 -0.501 138 H GLY 22 HN GLY 22 6.658 -4.163 -5.327 139 HA2 GLY 22 HA2 GLY 22 5.788 -5.128 -7.251 140 HA3 GLY 22 HA1 GLY 22 6.046 -6.706 -6.515 141 H HIS 23 HN HIS 23 4.096 -7.729 -6.732 142 HA HIS 23 HA HIS 23 1.758 -6.174 -6.061 143 HB2 HIS 23 HB2 HIS 23 0.414 -8.205 -6.787 144 HB3 HIS 23 HB1 HIS 23 1.351 -7.433 -8.043 145 HD1 HIS 23 HD1 HIS 23 2.780 -8.981 -9.428 146 HD2 HIS 23 HD2 HIS 23 1.571 -10.712 -5.854 147 HE1 HIS 23 HE1 HIS 23 3.502 -11.387 -9.546 148 H GLN 24 HN GLN 24 1.248 -5.948 -4.095 149 HA GLN 24 HA GLN 24 1.698 -8.217 -2.333 150 HB2 GLN 24 HB2 GLN 24 1.786 -5.289 -1.704 151 HB3 GLN 24 HB1 GLN 24 1.655 -6.522 -0.454 152 HG2 GLN 24 HG2 GLN 24 3.734 -7.533 -1.302 153 HG3 GLN 24 HG1 GLN 24 3.877 -6.198 -2.444 154 HE21 GLN 24 1HE2 GLN 24 5.531 -7.089 -0.227 155 HE22 GLN 24 2HE2 GLN 24 5.735 -5.717 0.810 156 H CYS 25 HN CYS 25 0.215 -8.958 -1.108 157 HA CYS 25 HA CYS 25 -2.480 -7.884 -1.490 158 HB2 CYS 25 HB2 CYS 25 -1.585 -10.717 -0.962 159 HB3 CYS 25 HB1 CYS 25 -3.268 -10.193 -1.022 160 H PHE 26 HN PHE 26 -3.732 -7.549 0.231 161 HA PHE 26 HA PHE 26 -2.296 -7.484 2.782 162 HB2 PHE 26 HB2 PHE 26 -4.885 -6.112 2.070 163 HB3 PHE 26 HB1 PHE 26 -3.840 -5.774 3.443 164 HD1 PHE 26 HD1 PHE 26 -1.362 -5.089 2.782 165 HD2 PHE 26 HD2 PHE 26 -4.752 -4.766 0.239 166 HE1 PHE 26 HE1 PHE 26 -0.192 -3.398 1.431 167 HE2 PHE 26 HE2 PHE 26 -3.596 -3.085 -1.109 168 HZ PHE 26 HZ PHE 26 -1.324 -2.403 -0.528 169 HA PRO 27 HA PRO 27 -4.995 -11.071 3.539 170 HB2 PRO 27 HB2 PRO 27 -3.331 -11.432 5.935 171 HB3 PRO 27 HB1 PRO 27 -3.576 -12.534 4.579 172 HG2 PRO 27 HG2 PRO 27 -1.239 -11.263 4.954 173 HG3 PRO 27 HG1 PRO 27 -1.873 -11.595 3.333 174 HD2 PRO 27 HD2 PRO 27 -1.937 -9.040 4.901 175 HD3 PRO 27 HD1 PRO 27 -1.572 -9.310 3.179 176 H ASP 28 HN ASP 28 -4.112 -8.556 5.754 177 HA ASP 28 HA ASP 28 -6.540 -9.135 7.323 178 HB2 ASP 28 HB2 ASP 28 -4.050 -7.617 8.104 179 HB3 ASP 28 HB1 ASP 28 -5.494 -7.727 9.099 180 H1 GLY 1 HN GLY 1 7.087 7.283 3.373 181 HA2 GLY 1 HA2 GLY 1 7.961 5.625 1.982 182 HA3 GLY 1 HA1 GLY 1 9.035 5.125 3.291 183 H PHE 2 HN PHE 2 8.006 3.012 2.290 184 HA PHE 2 HA PHE 2 5.851 2.328 4.114 185 HB2 PHE 2 HB2 PHE 2 4.769 2.990 2.004 186 HB3 PHE 2 HB1 PHE 2 5.735 1.806 1.141 187 HD1 PHE 2 HD1 PHE 2 4.716 -0.172 0.629 188 HD2 PHE 2 HD2 PHE 2 3.459 1.960 4.077 189 HE1 PHE 2 HE1 PHE 2 2.980 -1.857 1.030 190 HE2 PHE 2 HE2 PHE 2 1.726 0.284 4.490 191 HZ PHE 2 HZ PHE 2 1.477 -1.632 2.964 192 H CYS 3 HN CYS 3 6.099 0.387 4.962 193 HA CYS 3 HA CYS 3 7.962 -1.462 3.701 194 HB2 CYS 3 HB2 CYS 3 7.773 -0.751 6.634 195 HB3 CYS 3 HB1 CYS 3 8.732 -2.076 5.983 196 H TRP 4 HN TRP 4 7.004 -3.310 3.313 197 HA TRP 4 HA TRP 4 5.045 -4.403 5.127 198 HB2 TRP 4 HB2 TRP 4 3.790 -2.883 3.538 199 HB3 TRP 4 HB1 TRP 4 4.356 -3.898 2.223 200 HD1 TRP 4 HD1 TRP 4 3.206 -6.314 1.970 201 HE1 TRP 4 HE1 TRP 4 1.002 -7.255 2.860 202 HE3 TRP 4 3HE TRP 4 2.218 -2.796 5.541 203 HZ2 TRP 4 HZ2 TRP 4 -0.929 -6.595 4.821 204 HZ3 TRP 4 HZ3 TRP 4 0.166 -3.022 6.878 205 HH2 TRP 4 2HH TRP 4 -1.373 -4.881 6.522 206 H HIS 5 HN HIS 5 5.099 -6.567 5.030 207 HA HIS 5 HA HIS 5 5.789 -8.653 4.648 208 HB2 HIS 5 HB2 HIS 5 4.455 -8.185 2.518 209 HB3 HIS 5 HB1 HIS 5 5.991 -7.884 1.717 210 HD1 HIS 5 HD1 HIS 5 6.896 -9.907 0.542 211 HD2 HIS 5 HD2 HIS 5 4.428 -10.888 3.724 212 HE1 HIS 5 HE1 HIS 5 6.762 -12.420 0.565 213 H HIS 6 HN HIS 6 7.665 -6.783 5.397 214 HA HIS 6 HA HIS 6 9.839 -6.598 5.890 215 HB2 HIS 6 HB2 HIS 6 10.071 -9.307 4.552 216 HB3 HIS 6 HB1 HIS 6 11.373 -8.536 5.453 217 HD1 HIS 6 HD1 HIS 6 11.267 -8.712 8.032 218 HD2 HIS 6 HD2 HIS 6 7.870 -10.154 6.118 219 HE1 HIS 6 HE1 HIS 6 9.913 -9.884 9.795 220 H SER 7 HN SER 7 8.853 -5.468 3.405 221 HA SER 7 HA SER 7 11.480 -4.920 2.301 222 HB2 SER 7 HB2 SER 7 9.016 -5.585 0.675 223 HB3 SER 7 HB1 SER 7 10.519 -4.978 -0.027 224 HG SER 7 HG SER 7 11.133 -6.987 1.543 225 H CYS 8 HN CYS 8 11.666 -2.728 1.466 226 HA CYS 8 HA CYS 8 9.427 -1.014 2.263 227 HB2 CYS 8 HB2 CYS 8 12.366 -0.540 2.763 228 HB3 CYS 8 HB1 CYS 8 11.072 0.601 3.084 229 H VAL 9 HN VAL 9 9.077 0.758 1.067 230 HA VAL 9 HA VAL 9 10.882 1.308 -1.181 231 HB VAL 9 HB VAL 9 8.932 2.489 -2.297 232 HG11 VAL 9 HG11 VAL 9 9.563 0.274 -3.020 233 HG12 VAL 9 HG12 VAL 9 7.807 0.449 -3.075 234 HG13 VAL 9 3HG1 VAL 9 8.569 -0.441 -1.754 235 HG21 VAL 9 HG21 VAL 9 7.540 2.858 -0.322 236 HG22 VAL 9 HG22 VAL 9 7.316 1.118 -0.150 237 HG23 VAL 9 HG23 VAL 9 6.649 1.956 -1.550 238 HA PRO 10 HA PRO 10 11.942 5.005 0.804 239 HB2 PRO 10 HB2 PRO 10 12.397 6.719 -1.234 240 HB3 PRO 10 HB1 PRO 10 13.458 5.354 -0.873 241 HG2 PRO 10 HG2 PRO 10 11.255 5.537 -2.904 242 HG3 PRO 10 HG1 PRO 10 12.902 4.920 -3.121 243 HD2 PRO 10 HD2 PRO 10 10.843 3.265 -2.743 244 HD3 PRO 10 HD1 PRO 10 12.430 2.929 -2.023 245 H SER 11 HN SER 11 11.464 7.270 1.168 246 HA SER 11 HA SER 11 8.722 7.810 1.319 247 HB2 SER 11 HB2 SER 11 9.793 10.078 2.078 248 HB3 SER 11 HB1 SER 11 9.984 8.638 3.083 249 HG SER 11 HG SER 11 11.886 10.113 2.161 250 H GLY 12 HN GLY 12 7.498 9.114 0.094 251 HA2 GLY 12 HA2 GLY 12 7.200 10.873 -1.487 252 HA3 GLY 12 HA1 GLY 12 8.794 10.507 -2.141 253 H THR 13 HN THR 13 7.961 7.554 -1.814 254 HA THR 13 HA THR 13 7.150 7.130 -4.472 255 HB THR 13 HB THR 13 7.027 5.247 -2.095 256 HG1 THR 13 HG1 THR 13 9.078 5.573 -2.186 257 HG21 THR 13 HG21 THR 13 7.199 4.655 -5.065 258 HG22 THR 13 HG22 THR 13 5.776 4.410 -4.054 259 HG23 THR 13 HG23 THR 13 7.232 3.457 -3.770 260 H CYS 14 HN CYS 14 5.131 6.729 -5.331 261 HA CYS 14 HA CYS 14 2.837 6.794 -3.522 262 HB2 CYS 14 HB2 CYS 14 2.971 8.005 -6.294 263 HB3 CYS 14 HB1 CYS 14 1.616 8.068 -5.170 264 H ALA 15 HN ALA 15 1.402 5.228 -3.877 265 HA ALA 15 HA ALA 15 1.914 3.505 -6.185 266 HB1 ALA 15 HB1 ALA 15 1.109 2.663 -3.406 267 HB2 ALA 15 HB2 ALA 15 2.706 2.464 -4.118 268 HB3 ALA 15 HB3 ALA 15 1.327 1.582 -4.786 269 H ASP 16 HN ASP 16 0.103 2.592 -7.126 270 HA ASP 16 HA ASP 16 -2.347 4.060 -6.627 271 HB2 ASP 16 HB2 ASP 16 -1.649 3.875 -8.952 272 HB3 ASP 16 HB1 ASP 16 -1.589 2.123 -8.824 273 H PHE 17 HN PHE 17 -3.581 3.284 -5.075 274 HA PHE 17 HA PHE 17 -3.793 0.405 -4.732 275 HB2 PHE 17 HB2 PHE 17 -4.704 2.722 -3.023 276 HB3 PHE 17 HB1 PHE 17 -5.037 1.040 -2.661 277 HD1 PHE 17 HD1 PHE 17 -3.451 -0.298 -1.608 278 HD2 PHE 17 HD2 PHE 17 -2.394 3.587 -2.942 279 HE1 PHE 17 HE1 PHE 17 -1.421 -0.410 -0.283 280 HE2 PHE 17 HE2 PHE 17 -0.332 3.485 -1.618 281 HZ PHE 17 HZ PHE 17 0.158 1.480 -0.274 282 HA PRO 18 HA PRO 18 -7.918 0.695 -6.423 283 HB2 PRO 18 HB2 PRO 18 -8.858 -1.389 -4.604 284 HB3 PRO 18 HB1 PRO 18 -8.612 -1.482 -6.348 285 HG2 PRO 18 HG2 PRO 18 -7.045 -2.807 -4.575 286 HG3 PRO 18 HG1 PRO 18 -6.445 -2.219 -6.135 287 HD2 PRO 18 HD2 PRO 18 -6.119 -1.031 -3.408 288 HD3 PRO 18 HD1 PRO 18 -4.941 -1.181 -4.723 289 H TRP 19 HN TRP 19 -10.171 0.985 -5.706 290 HA TRP 19 HA TRP 19 -10.562 2.849 -3.636 291 HB2 TRP 19 HB2 TRP 19 -12.075 2.865 -5.476 292 HB3 TRP 19 HB1 TRP 19 -12.404 1.148 -5.312 293 HD1 TRP 19 HD1 TRP 19 -13.855 0.463 -3.424 294 HE1 TRP 19 HE1 TRP 19 -15.887 1.573 -2.171 295 HE3 TRP 19 3HE TRP 19 -12.790 5.196 -4.511 296 HZ2 TRP 19 HZ2 TRP 19 -16.781 4.193 -1.715 297 HZ3 TRP 19 HZ3 TRP 19 -14.198 6.973 -3.604 298 HH2 TRP 19 2HH TRP 19 -16.152 6.500 -2.254 299 HA PRO 20 HA PRO 20 -12.082 3.511 -2.358 300 HB2 PRO 20 HB2 PRO 20 -11.847 3.810 0.557 301 HB3 PRO 20 HB1 PRO 20 -13.230 4.139 -0.500 302 HG2 PRO 20 HG2 PRO 20 -13.295 2.051 1.076 303 HG3 PRO 20 HG1 PRO 20 -13.799 1.973 -0.641 304 HD2 PRO 20 HD2 PRO 20 -11.075 1.199 0.472 305 HD3 PRO 20 HD1 PRO 20 -12.204 0.153 -0.429 306 H LEU 21 HN LEU 21 -9.116 2.351 -1.410 307 HA LEU 21 HA LEU 21 -7.922 4.509 -0.046 308 HB2 LEU 21 HB2 LEU 21 -6.568 2.438 -1.758 309 HB3 LEU 21 HB1 LEU 21 -5.778 3.478 -0.595 310 HG LEU 21 HG LEU 21 -7.688 1.220 -0.030 311 HD11 LEU 21 HD11 LEU 21 -4.833 1.704 0.718 312 HD12 LEU 21 HD12 LEU 21 -5.392 0.562 -0.520 313 HD13 LEU 21 HD13 LEU 21 -5.798 0.309 1.187 314 HD21 LEU 21 HD21 LEU 21 -6.441 3.168 1.880 315 HD22 LEU 21 HD22 LEU 21 -7.315 1.703 2.324 316 HD23 LEU 21 HD23 LEU 21 -8.158 3.015 1.504 317 H GLY 22 HN GLY 22 -7.190 3.523 -3.389 318 HA2 GLY 22 HA2 GLY 22 -7.187 4.999 -5.252 319 HA3 GLY 22 HA1 GLY 22 -7.149 6.360 -4.142 320 H HIS 23 HN HIS 23 -5.350 7.007 -5.682 321 HA HIS 23 HA HIS 23 -2.911 5.554 -5.254 322 HB2 HIS 23 HB2 HIS 23 -1.793 7.193 -6.685 323 HB3 HIS 23 HB1 HIS 23 -3.295 6.710 -7.443 324 HD1 HIS 23 HD1 HIS 23 -5.235 8.630 -7.480 325 HD2 HIS 23 HD2 HIS 23 -1.462 9.829 -6.200 326 HE1 HIS 23 HE1 HIS 23 -5.244 11.136 -7.522 327 H GLN 24 HN GLN 24 -1.570 5.770 -3.640 328 HA GLN 24 HA GLN 24 -1.906 8.145 -1.946 329 HB2 GLN 24 HB2 GLN 24 -1.376 5.384 -0.856 330 HB3 GLN 24 HB1 GLN 24 -1.844 6.831 0.023 331 HG2 GLN 24 HG2 GLN 24 -4.029 6.764 -1.154 332 HG3 GLN 24 HG1 GLN 24 -3.560 5.219 -1.852 333 HE21 GLN 24 1HE2 GLN 24 -4.732 6.856 0.849 334 HE22 GLN 24 2HE2 GLN 24 -4.960 5.492 1.888 335 H CYS 25 HN CYS 25 -0.086 8.929 -1.034 336 HA CYS 25 HA CYS 25 2.422 7.815 -2.013 337 HB2 CYS 25 HB2 CYS 25 1.763 10.610 -1.075 338 HB3 CYS 25 HB1 CYS 25 3.337 10.070 -1.654 339 H PHE 26 HN PHE 26 4.118 7.569 -0.646 340 HA PHE 26 HA PHE 26 3.324 7.279 2.166 341 HB2 PHE 26 HB2 PHE 26 5.730 6.047 0.833 342 HB3 PHE 26 HB1 PHE 26 4.977 5.574 2.350 343 HD1 PHE 26 HD1 PHE 26 2.431 4.849 2.103 344 HD2 PHE 26 HD2 PHE 26 5.303 4.806 -1.024 345 HE1 PHE 26 HE1 PHE 26 1.079 3.204 0.889 346 HE2 PHE 26 HE2 PHE 26 3.960 3.164 -2.248 347 HZ PHE 26 HZ PHE 26 1.845 2.365 -1.298 348 HA PRO 27 HA PRO 27 6.125 10.888 2.516 349 HB2 PRO 27 HB2 PRO 27 5.396 11.518 5.092 350 HB3 PRO 27 HB1 PRO 27 4.533 12.083 3.663 351 HG2 PRO 27 HG2 PRO 27 3.872 9.869 5.524 352 HG3 PRO 27 HG1 PRO 27 2.794 10.994 4.690 353 HD2 PRO 27 HD2 PRO 27 3.177 8.421 3.897 354 HD3 PRO 27 HD1 PRO 27 2.744 9.722 2.773 355 H ASP 28 HN ASP 28 5.713 8.319 4.886 356 HA ASP 28 HA ASP 28 8.461 8.749 5.843 357 HB2 ASP 28 HB2 ASP 28 6.273 6.931 6.891 358 HB3 ASP 28 HB1 ASP 28 7.892 7.009 7.554 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 -5.873 -7.563 4.401 2 HA2 GLY 1 HA2 GLY 1 -7.216 -5.773 3.671 3 HA3 GLY 1 HA1 GLY 1 -7.641 -5.435 5.348 4 H PHE 2 HN PHE 2 -6.939 -3.219 4.274 5 HA PHE 2 HA PHE 2 -4.322 -2.702 5.348 6 HB2 PHE 2 HB2 PHE 2 -3.750 -3.397 3.054 7 HB3 PHE 2 HB1 PHE 2 -4.866 -2.204 2.406 8 HD1 PHE 2 HD1 PHE 2 -4.032 -0.156 1.762 9 HD2 PHE 2 HD2 PHE 2 -1.893 -2.442 4.636 10 HE1 PHE 2 HE1 PHE 2 -2.238 1.525 1.758 11 HE2 PHE 2 HE2 PHE 2 -0.100 -0.765 4.632 12 HZ PHE 2 HZ PHE 2 -0.270 1.219 3.193 13 H CYS 3 HN CYS 3 -4.011 -0.544 5.851 14 HA CYS 3 HA CYS 3 -6.223 1.266 5.318 15 HB2 CYS 3 HB2 CYS 3 -4.960 0.679 7.994 16 HB3 CYS 3 HB1 CYS 3 -6.019 2.041 7.670 17 H TRP 4 HN TRP 4 -5.582 3.292 4.897 18 HA TRP 4 HA TRP 4 -3.063 4.331 5.759 19 HB2 TRP 4 HB2 TRP 4 -2.535 2.904 3.708 20 HB3 TRP 4 HB1 TRP 4 -3.509 4.022 2.771 21 HD1 TRP 4 HD1 TRP 4 -2.309 6.227 1.987 22 HE1 TRP 4 HE1 TRP 4 0.063 7.190 2.297 23 HE3 TRP 4 3HE TRP 4 -0.555 2.963 5.501 24 HZ2 TRP 4 HZ2 TRP 4 2.348 6.650 3.822 25 HZ3 TRP 4 HZ3 TRP 4 1.742 3.262 6.333 26 HH2 TRP 4 2HH TRP 4 3.157 5.075 5.501 27 H HIS 5 HN HIS 5 -3.180 6.532 5.802 28 HA HIS 5 HA HIS 5 -4.110 8.579 5.942 29 HB2 HIS 5 HB2 HIS 5 -5.241 7.795 3.250 30 HB3 HIS 5 HB1 HIS 5 -5.421 9.402 3.937 31 HD1 HIS 5 HD1 HIS 5 -3.723 8.292 1.337 32 HD2 HIS 5 HD2 HIS 5 -2.332 9.830 4.921 33 HE1 HIS 5 HE1 HIS 5 -1.403 9.174 0.867 34 H HIS 6 HN HIS 6 -5.491 6.402 7.168 35 HA HIS 6 HA HIS 6 -7.294 6.071 8.461 36 HB2 HIS 6 HB2 HIS 6 -8.244 8.759 7.439 37 HB3 HIS 6 HB1 HIS 6 -9.116 7.810 8.629 38 HD1 HIS 6 HD1 HIS 6 -8.435 8.156 11.038 39 HD2 HIS 6 HD2 HIS 6 -5.668 9.682 8.345 40 HE1 HIS 6 HE1 HIS 6 -6.804 9.517 12.403 41 H SER 7 HN SER 7 -7.220 5.685 5.334 42 HA SER 7 HA SER 7 -10.023 4.907 5.145 43 HB2 SER 7 HB2 SER 7 -7.958 5.425 3.007 44 HB3 SER 7 HB1 SER 7 -9.635 4.979 2.672 45 HG SER 7 HG SER 7 -8.742 7.328 2.803 46 H CYS 8 HN CYS 8 -10.432 2.721 4.468 47 HA CYS 8 HA CYS 8 -8.055 1.017 4.471 48 HB2 CYS 8 HB2 CYS 8 -10.614 0.486 5.983 49 HB3 CYS 8 HB1 CYS 8 -9.250 -0.616 5.856 50 H VAL 9 HN VAL 9 -8.266 -0.947 3.444 51 HA VAL 9 HA VAL 9 -10.622 -1.272 1.760 52 HB VAL 9 HB VAL 9 -9.146 -2.547 0.141 53 HG11 VAL 9 HG11 VAL 9 -9.813 -0.278 -0.371 54 HG12 VAL 9 HG12 VAL 9 -8.156 -0.555 -0.917 55 HG13 VAL 9 3HG1 VAL 9 -8.460 0.345 0.570 56 HG21 VAL 9 HG21 VAL 9 -7.272 -3.035 1.635 57 HG22 VAL 9 HG22 VAL 9 -6.899 -1.315 1.744 58 HG23 VAL 9 HG23 VAL 9 -6.713 -2.161 0.208 59 HA PRO 10 HA PRO 10 -11.332 -4.882 4.078 60 HB2 PRO 10 HB2 PRO 10 -12.627 -6.414 2.220 61 HB3 PRO 10 HB1 PRO 10 -13.376 -5.060 3.072 62 HG2 PRO 10 HG2 PRO 10 -12.152 -5.122 0.340 63 HG3 PRO 10 HG1 PRO 10 -13.673 -4.379 0.865 64 HD2 PRO 10 HD2 PRO 10 -11.464 -2.929 0.501 65 HD3 PRO 10 HD1 PRO 10 -12.598 -2.564 1.822 66 H SER 11 HN SER 11 -10.855 -7.095 4.282 67 HA SER 11 HA SER 11 -8.328 -7.895 3.501 68 HB2 SER 11 HB2 SER 11 -10.650 -9.583 4.426 69 HB3 SER 11 HB1 SER 11 -8.933 -9.977 4.564 70 HG SER 11 HG SER 11 -9.647 -9.148 6.497 71 H GLY 12 HN GLY 12 -7.617 -8.792 1.672 72 HA2 GLY 12 HA2 GLY 12 -7.900 -10.601 0.064 73 HA3 GLY 12 HA1 GLY 12 -9.571 -10.077 -0.123 74 H THR 13 HN THR 13 -8.312 -7.254 0.147 75 HA THR 13 HA THR 13 -8.212 -6.704 -2.618 76 HB THR 13 HB THR 13 -7.291 -4.969 -0.309 77 HG1 THR 13 HG1 THR 13 -9.374 -5.306 0.164 78 HG21 THR 13 HG21 THR 13 -7.855 -3.109 -1.827 79 HG22 THR 13 HG22 THR 13 -8.286 -4.267 -3.086 80 HG23 THR 13 HG23 THR 13 -6.616 -4.146 -2.536 81 H CYS 14 HN CYS 14 -6.528 -6.872 -3.960 82 HA CYS 14 HA CYS 14 -3.871 -7.182 -2.814 83 HB2 CYS 14 HB2 CYS 14 -4.797 -7.988 -5.583 84 HB3 CYS 14 HB1 CYS 14 -3.261 -8.392 -4.836 85 H ALA 15 HN ALA 15 -2.120 -5.865 -3.654 86 HA ALA 15 HA ALA 15 -2.933 -3.840 -5.580 87 HB1 ALA 15 HB1 ALA 15 -3.276 -2.874 -3.350 88 HB2 ALA 15 HB2 ALA 15 -1.974 -2.063 -4.220 89 HB3 ALA 15 HB3 ALA 15 -1.595 -3.224 -2.948 90 H ASP 16 HN ASP 16 -1.167 -2.779 -6.579 91 HA ASP 16 HA ASP 16 1.199 -4.471 -6.694 92 HB2 ASP 16 HB2 ASP 16 1.720 -3.447 -8.840 93 HB3 ASP 16 HB1 ASP 16 0.058 -4.000 -8.869 94 H PHE 17 HN PHE 17 3.212 -3.675 -6.306 95 HA PHE 17 HA PHE 17 3.462 -0.879 -5.534 96 HB2 PHE 17 HB2 PHE 17 4.477 -3.286 -3.998 97 HB3 PHE 17 HB1 PHE 17 5.001 -1.641 -3.699 98 HD1 PHE 17 HD1 PHE 17 3.646 -0.129 -2.494 99 HD2 PHE 17 HD2 PHE 17 2.225 -4.025 -3.413 100 HE1 PHE 17 HE1 PHE 17 1.840 0.153 -0.868 101 HE2 PHE 17 HE2 PHE 17 0.407 -3.750 -1.788 102 HZ PHE 17 HZ PHE 17 0.215 -1.649 -0.512 103 HA PRO 18 HA PRO 18 7.236 -1.370 -7.926 104 HB2 PRO 18 HB2 PRO 18 8.595 0.524 -6.135 105 HB3 PRO 18 HB1 PRO 18 8.178 0.719 -7.838 106 HG2 PRO 18 HG2 PRO 18 6.926 2.108 -5.909 107 HG3 PRO 18 HG1 PRO 18 6.088 1.559 -7.372 108 HD2 PRO 18 HD2 PRO 18 6.068 0.366 -4.623 109 HD3 PRO 18 HD1 PRO 18 4.721 0.638 -5.750 110 H TRP 19 HN TRP 19 9.611 -1.819 -7.565 111 HA TRP 19 HA TRP 19 10.022 -3.930 -5.734 112 HB2 TRP 19 HB2 TRP 19 11.211 -3.490 -7.975 113 HB3 TRP 19 HB1 TRP 19 12.155 -2.274 -7.129 114 HD1 TRP 19 HD1 TRP 19 11.599 -6.066 -7.248 115 HE1 TRP 19 HE1 TRP 19 13.652 -7.247 -6.278 116 HE3 TRP 19 3HE TRP 19 14.183 -1.967 -5.651 117 HZ2 TRP 19 HZ2 TRP 19 16.083 -6.534 -5.013 118 HZ3 TRP 19 HZ3 TRP 19 16.378 -2.300 -4.574 119 HH2 TRP 19 2HH TRP 19 17.302 -4.536 -4.261 120 HA PRO 20 HA PRO 20 11.613 -4.818 -4.497 121 HB2 PRO 20 HB2 PRO 20 12.182 -5.315 -1.826 122 HB3 PRO 20 HB1 PRO 20 13.361 -4.937 -3.081 123 HG2 PRO 20 HG2 PRO 20 12.696 -3.335 -0.833 124 HG3 PRO 20 HG1 PRO 20 13.727 -2.882 -2.197 125 HD2 PRO 20 HD2 PRO 20 10.859 -2.265 -1.698 126 HD3 PRO 20 HD1 PRO 20 12.089 -1.310 -2.553 127 H LEU 21 HN LEU 21 8.977 -3.411 -3.523 128 HA LEU 21 HA LEU 21 7.934 -5.438 -1.759 129 HB2 LEU 21 HB2 LEU 21 6.624 -3.061 -3.068 130 HB3 LEU 21 HB1 LEU 21 5.802 -4.148 -1.966 131 HG LEU 21 HG LEU 21 8.182 -2.430 -1.237 132 HD11 LEU 21 HD11 LEU 21 6.610 -1.165 0.071 133 HD12 LEU 21 HD12 LEU 21 5.274 -2.138 -0.552 134 HD13 LEU 21 HD13 LEU 21 6.191 -1.082 -1.644 135 HD21 LEU 21 HD21 LEU 21 7.679 -3.089 1.031 136 HD22 LEU 21 HD22 LEU 21 7.998 -4.509 0.024 137 HD23 LEU 21 HD23 LEU 21 6.347 -4.087 0.453 138 H GLY 22 HN GLY 22 6.963 -4.238 -4.962 139 HA2 GLY 22 HA2 GLY 22 6.366 -5.521 -6.816 140 HA3 GLY 22 HA1 GLY 22 6.549 -6.974 -5.836 141 H HIS 23 HN HIS 23 4.500 -7.732 -6.655 142 HA HIS 23 HA HIS 23 2.181 -6.149 -5.964 143 HB2 HIS 23 HB2 HIS 23 2.448 -8.825 -7.368 144 HB3 HIS 23 HB1 HIS 23 0.905 -8.069 -6.998 145 HD1 HIS 23 HD1 HIS 23 0.089 -7.471 -9.338 146 HD2 HIS 23 HD2 HIS 23 3.989 -6.247 -8.638 147 HE1 HIS 23 HE1 HIS 23 0.769 -6.150 -11.360 148 H GLN 24 HN GLN 24 1.228 -6.298 -4.100 149 HA GLN 24 HA GLN 24 1.665 -8.708 -2.487 150 HB2 GLN 24 HB2 GLN 24 1.764 -5.843 -1.543 151 HB3 GLN 24 HB1 GLN 24 1.823 -7.251 -0.492 152 HG2 GLN 24 HG2 GLN 24 3.921 -7.945 -1.504 153 HG3 GLN 24 HG1 GLN 24 3.855 -6.578 -2.612 154 HE21 GLN 24 1HE2 GLN 24 2.854 -4.776 -0.536 155 HE22 GLN 24 2HE2 GLN 24 4.218 -4.448 0.479 156 H CYS 25 HN CYS 25 -0.101 -9.429 -1.441 157 HA CYS 25 HA CYS 25 -2.479 -7.844 -1.894 158 HB2 CYS 25 HB2 CYS 25 -2.375 -10.058 -3.094 159 HB3 CYS 25 HB1 CYS 25 -2.370 -10.845 -1.521 160 H PHE 26 HN PHE 26 -4.079 -7.800 -0.188 161 HA PHE 26 HA PHE 26 -2.769 -8.221 2.398 162 HB2 PHE 26 HB2 PHE 26 -4.814 -6.135 1.645 163 HB3 PHE 26 HB1 PHE 26 -4.094 -6.338 3.236 164 HD1 PHE 26 HD1 PHE 26 -1.615 -5.993 3.483 165 HD2 PHE 26 HD2 PHE 26 -3.759 -4.869 -0.013 166 HE1 PHE 26 HE1 PHE 26 0.221 -4.493 2.845 167 HE2 PHE 26 HE2 PHE 26 -1.935 -3.369 -0.660 168 HZ PHE 26 HZ PHE 26 0.074 -3.184 0.781 169 HA PRO 27 HA PRO 27 -6.418 -10.988 2.693 170 HB2 PRO 27 HB2 PRO 27 -4.718 -12.449 4.581 171 HB3 PRO 27 HB1 PRO 27 -5.455 -13.024 3.085 172 HG2 PRO 27 HG2 PRO 27 -2.800 -12.662 3.306 173 HG3 PRO 27 HG1 PRO 27 -3.665 -12.366 1.786 174 HD2 PRO 27 HD2 PRO 27 -2.743 -10.401 3.856 175 HD3 PRO 27 HD1 PRO 27 -2.613 -10.315 2.083 176 H ASP 28 HN ASP 28 -4.576 -9.167 4.858 177 HA ASP 28 HA ASP 28 -6.460 -9.473 7.093 178 HB2 ASP 28 HB2 ASP 28 -4.096 -9.488 7.695 179 HB3 ASP 28 HB1 ASP 28 -3.836 -7.970 6.849 180 H1 GLY 1 HN GLY 1 7.101 7.373 2.980 181 HA2 GLY 1 HA2 GLY 1 7.678 5.584 1.648 182 HA3 GLY 1 HA1 GLY 1 8.830 5.085 2.887 183 H PHE 2 HN PHE 2 7.946 2.941 2.340 184 HA PHE 2 HA PHE 2 5.857 2.284 4.211 185 HB2 PHE 2 HB2 PHE 2 4.565 2.784 2.166 186 HB3 PHE 2 HB1 PHE 2 5.558 1.659 1.255 187 HD1 PHE 2 HD1 PHE 2 4.766 -0.479 0.936 188 HD2 PHE 2 HD2 PHE 2 3.375 1.757 4.269 189 HE1 PHE 2 HE1 PHE 2 3.223 -2.303 1.503 190 HE2 PHE 2 HE2 PHE 2 1.832 -0.055 4.846 191 HZ PHE 2 HZ PHE 2 1.750 -2.095 3.460 192 H CYS 3 HN CYS 3 6.055 0.179 4.933 193 HA CYS 3 HA CYS 3 8.168 -1.407 3.719 194 HB2 CYS 3 HB2 CYS 3 7.724 -0.879 6.660 195 HB3 CYS 3 HB1 CYS 3 8.832 -2.078 6.002 196 H TRP 4 HN TRP 4 7.677 -3.488 3.519 197 HA TRP 4 HA TRP 4 5.728 -4.780 5.156 198 HB2 TRP 4 HB2 TRP 4 4.424 -3.525 3.362 199 HB3 TRP 4 HB1 TRP 4 5.191 -4.563 2.178 200 HD1 TRP 4 HD1 TRP 4 4.294 -7.118 2.079 201 HE1 TRP 4 HE1 TRP 4 2.162 -8.220 2.998 202 HE3 TRP 4 3HE TRP 4 2.830 -3.459 5.330 203 HZ2 TRP 4 HZ2 TRP 4 0.123 -7.616 4.859 204 HZ3 TRP 4 HZ3 TRP 4 0.779 -3.798 6.641 205 HH2 TRP 4 2HH TRP 4 -0.545 -5.835 6.409 206 H HIS 5 HN HIS 5 6.241 -6.917 5.216 207 HA HIS 5 HA HIS 5 7.492 -8.796 5.046 208 HB2 HIS 5 HB2 HIS 5 7.481 -8.043 2.110 209 HB3 HIS 5 HB1 HIS 5 8.180 -9.541 2.709 210 HD1 HIS 5 HD1 HIS 5 5.655 -9.275 0.750 211 HD2 HIS 5 HD2 HIS 5 5.581 -10.109 4.815 212 HE1 HIS 5 HE1 HIS 5 3.496 -10.514 1.172 213 H HIS 6 HN HIS 6 8.732 -6.295 5.626 214 HA HIS 6 HA HIS 6 10.716 -5.482 6.232 215 HB2 HIS 6 HB2 HIS 6 11.786 -8.165 5.326 216 HB3 HIS 6 HB1 HIS 6 12.806 -6.919 6.028 217 HD1 HIS 6 HD1 HIS 6 13.058 -7.049 8.525 218 HD2 HIS 6 HD2 HIS 6 9.662 -9.015 7.163 219 HE1 HIS 6 HE1 HIS 6 12.062 -8.180 10.533 220 H SER 7 HN SER 7 9.680 -5.507 3.294 221 HA SER 7 HA SER 7 12.124 -4.407 2.170 222 HB2 SER 7 HB2 SER 7 9.515 -5.237 0.904 223 HB3 SER 7 HB1 SER 7 10.918 -4.615 0.017 224 HG SER 7 HG SER 7 11.644 -6.629 1.612 225 H CYS 8 HN CYS 8 12.113 -2.235 1.672 226 HA CYS 8 HA CYS 8 9.686 -0.771 2.384 227 HB2 CYS 8 HB2 CYS 8 12.523 -0.053 3.108 228 HB3 CYS 8 HB1 CYS 8 11.110 0.950 3.398 229 H VAL 9 HN VAL 9 9.202 0.897 1.150 230 HA VAL 9 HA VAL 9 11.036 1.560 -1.023 231 HB VAL 9 HB VAL 9 9.051 2.638 -2.151 232 HG11 VAL 9 HG11 VAL 9 7.981 0.549 -2.881 233 HG12 VAL 9 HG12 VAL 9 8.744 -0.294 -1.532 234 HG13 VAL 9 3HG1 VAL 9 9.739 0.407 -2.808 235 HG21 VAL 9 HG21 VAL 9 7.646 3.019 -0.181 236 HG22 VAL 9 HG22 VAL 9 7.467 1.279 0.037 237 HG23 VAL 9 HG23 VAL 9 6.779 2.062 -1.385 238 HA PRO 10 HA PRO 10 11.939 5.252 1.118 239 HB2 PRO 10 HB2 PRO 10 12.603 6.892 -0.957 240 HB3 PRO 10 HB1 PRO 10 13.651 5.603 -0.352 241 HG2 PRO 10 HG2 PRO 10 11.803 5.592 -2.700 242 HG3 PRO 10 HG1 PRO 10 13.462 4.975 -2.584 243 HD2 PRO 10 HD2 PRO 10 11.340 3.334 -2.442 244 HD3 PRO 10 HD1 PRO 10 12.800 3.049 -1.474 245 H SER 11 HN SER 11 11.382 7.519 1.315 246 HA SER 11 HA SER 11 8.610 7.983 1.157 247 HB2 SER 11 HB2 SER 11 10.862 9.929 1.658 248 HB3 SER 11 HB1 SER 11 9.189 10.052 2.213 249 HG SER 11 HG SER 11 10.466 9.288 3.874 250 H GLY 12 HN GLY 12 7.490 8.972 -0.449 251 HA2 GLY 12 HA2 GLY 12 7.427 10.648 -2.220 252 HA3 GLY 12 HA1 GLY 12 9.065 10.159 -2.637 253 H THR 13 HN THR 13 7.959 7.339 -1.949 254 HA THR 13 HA THR 13 7.365 6.627 -4.650 255 HB THR 13 HB THR 13 7.103 4.943 -2.134 256 HG1 THR 13 HG1 THR 13 9.189 5.431 -2.148 257 HG21 THR 13 HG21 THR 13 7.504 4.163 -5.031 258 HG22 THR 13 HG22 THR 13 6.002 3.991 -4.126 259 HG23 THR 13 HG23 THR 13 7.420 3.047 -3.667 260 H CYS 14 HN CYS 14 5.350 6.243 -5.535 261 HA CYS 14 HA CYS 14 3.066 6.540 -3.743 262 HB2 CYS 14 HB2 CYS 14 3.213 7.364 -6.659 263 HB3 CYS 14 HB1 CYS 14 1.847 7.599 -5.575 264 H ALA 15 HN ALA 15 1.216 5.280 -4.247 265 HA ALA 15 HA ALA 15 1.693 3.080 -6.078 266 HB1 ALA 15 HB1 ALA 15 0.827 2.743 -3.208 267 HB2 ALA 15 HB2 ALA 15 2.381 2.257 -3.888 268 HB3 ALA 15 HB3 ALA 15 0.898 1.456 -4.412 269 H ASP 16 HN ASP 16 -0.160 2.220 -6.932 270 HA ASP 16 HA ASP 16 -2.472 3.996 -6.697 271 HB2 ASP 16 HB2 ASP 16 -1.946 1.821 -8.738 272 HB3 ASP 16 HB1 ASP 16 -3.269 2.976 -8.774 273 H PHE 17 HN PHE 17 -3.819 3.373 -5.168 274 HA PHE 17 HA PHE 17 -4.313 0.520 -4.768 275 HB2 PHE 17 HB2 PHE 17 -4.907 2.936 -3.054 276 HB3 PHE 17 HB1 PHE 17 -5.421 1.306 -2.670 277 HD1 PHE 17 HD1 PHE 17 -3.769 -0.378 -2.065 278 HD2 PHE 17 HD2 PHE 17 -2.720 3.693 -2.634 279 HE1 PHE 17 HE1 PHE 17 -1.698 -0.750 -0.812 280 HE2 PHE 17 HE2 PHE 17 -0.632 3.338 -1.384 281 HZ PHE 17 HZ PHE 17 -0.124 1.105 -0.466 282 HA PRO 18 HA PRO 18 -8.497 1.343 -6.184 283 HB2 PRO 18 HB2 PRO 18 -9.688 -0.513 -4.298 284 HB3 PRO 18 HB1 PRO 18 -9.429 -0.734 -6.028 285 HG2 PRO 18 HG2 PRO 18 -8.092 -2.145 -4.109 286 HG3 PRO 18 HG1 PRO 18 -7.450 -1.818 -5.727 287 HD2 PRO 18 HD2 PRO 18 -6.853 -0.446 -3.138 288 HD3 PRO 18 HD1 PRO 18 -5.753 -0.897 -4.457 289 H TRP 19 HN TRP 19 -10.647 2.003 -5.322 290 HA TRP 19 HA TRP 19 -10.617 3.951 -3.286 291 HB2 TRP 19 HB2 TRP 19 -12.302 4.108 -4.969 292 HB3 TRP 19 HB1 TRP 19 -12.816 2.451 -4.714 293 HD1 TRP 19 HD1 TRP 19 -14.122 2.002 -2.623 294 HE1 TRP 19 HE1 TRP 19 -15.908 3.378 -1.260 295 HE3 TRP 19 3HE TRP 19 -12.717 6.543 -4.122 296 HZ2 TRP 19 HZ2 TRP 19 -16.505 6.118 -0.910 297 HZ3 TRP 19 HZ3 TRP 19 -13.856 8.504 -3.209 298 HH2 TRP 19 2HH TRP 19 -15.714 8.310 -1.658 299 HA PRO 20 HA PRO 20 -11.877 4.848 -1.879 300 HB2 PRO 20 HB2 PRO 20 -11.389 5.173 1.011 301 HB3 PRO 20 HB1 PRO 20 -12.776 5.680 0.034 302 HG2 PRO 20 HG2 PRO 20 -13.053 3.659 1.670 303 HG3 PRO 20 HG1 PRO 20 -13.670 3.636 -0.015 304 HD2 PRO 20 HD2 PRO 20 -11.028 2.467 0.944 305 HD3 PRO 20 HD1 PRO 20 -12.363 1.592 0.145 306 H LEU 21 HN LEU 21 -9.122 3.232 -1.183 307 HA LEU 21 HA LEU 21 -7.442 5.257 -0.103 308 HB2 LEU 21 HB2 LEU 21 -6.729 2.751 -1.615 309 HB3 LEU 21 HB1 LEU 21 -5.555 3.802 -0.849 310 HG LEU 21 HG LEU 21 -7.697 2.214 0.557 311 HD11 LEU 21 HD11 LEU 21 -5.877 0.827 -0.273 312 HD12 LEU 21 HD12 LEU 21 -5.839 0.980 1.491 313 HD13 LEU 21 HD13 LEU 21 -4.711 1.907 0.504 314 HD21 LEU 21 HD21 LEU 21 -6.594 2.948 2.602 315 HD22 LEU 21 HD22 LEU 21 -7.278 4.279 1.669 316 HD23 LEU 21 HD23 LEU 21 -5.539 3.994 1.641 317 H GLY 22 HN GLY 22 -7.548 3.904 -3.375 318 HA2 GLY 22 HA2 GLY 22 -7.337 4.983 -5.400 319 HA3 GLY 22 HA1 GLY 22 -7.370 6.518 -4.540 320 H HIS 23 HN HIS 23 -5.700 7.381 -5.742 321 HA HIS 23 HA HIS 23 -3.156 5.993 -5.885 322 HB2 HIS 23 HB2 HIS 23 -3.800 8.824 -6.796 323 HB3 HIS 23 HB1 HIS 23 -2.440 7.832 -7.301 324 HD1 HIS 23 HD1 HIS 23 -3.021 5.848 -9.069 325 HD2 HIS 23 HD2 HIS 23 -6.132 8.472 -8.176 326 HE1 HIS 23 HE1 HIS 23 -4.801 5.446 -10.789 327 H GLN 24 HN GLN 24 -1.820 6.114 -4.179 328 HA GLN 24 HA GLN 24 -1.900 8.551 -2.538 329 HB2 GLN 24 HB2 GLN 24 -1.913 5.705 -1.581 330 HB3 GLN 24 HB1 GLN 24 -1.558 7.077 -0.546 331 HG2 GLN 24 HG2 GLN 24 -3.780 7.988 -0.965 332 HG3 GLN 24 HG1 GLN 24 -4.135 6.638 -2.040 333 HE21 GLN 24 1HE2 GLN 24 -2.818 4.678 -0.388 334 HE22 GLN 24 2HE2 GLN 24 -3.831 4.454 0.991 335 H CYS 25 HN CYS 25 0.030 9.069 -1.444 336 HA CYS 25 HA CYS 25 2.328 7.608 -2.442 337 HB2 CYS 25 HB2 CYS 25 2.132 10.545 -1.734 338 HB3 CYS 25 HB1 CYS 25 3.594 9.715 -2.257 339 H PHE 26 HN PHE 26 4.186 7.605 -0.982 340 HA PHE 26 HA PHE 26 3.229 7.314 1.775 341 HB2 PHE 26 HB2 PHE 26 5.602 6.001 0.455 342 HB3 PHE 26 HB1 PHE 26 4.985 5.669 2.066 343 HD1 PHE 26 HD1 PHE 26 2.446 4.931 2.120 344 HD2 PHE 26 HD2 PHE 26 5.013 4.611 -1.250 345 HE1 PHE 26 HE1 PHE 26 0.997 3.182 1.187 346 HE2 PHE 26 HE2 PHE 26 3.575 2.868 -2.189 347 HZ PHE 26 HZ PHE 26 1.559 2.157 -0.978 348 HA PRO 27 HA PRO 27 5.901 10.994 2.276 349 HB2 PRO 27 HB2 PRO 27 4.771 10.852 5.006 350 HB3 PRO 27 HB1 PRO 27 4.776 12.198 3.863 351 HG2 PRO 27 HG2 PRO 27 2.537 10.847 4.377 352 HG3 PRO 27 HG1 PRO 27 2.901 11.427 2.742 353 HD2 PRO 27 HD2 PRO 27 3.162 8.670 3.876 354 HD3 PRO 27 HD1 PRO 27 2.566 9.192 2.286 355 H ASP 28 HN ASP 28 5.623 8.292 4.519 356 HA ASP 28 HA ASP 28 8.438 8.745 5.323 357 HB2 ASP 28 HB2 ASP 28 6.292 7.111 6.710 358 HB3 ASP 28 HB1 ASP 28 7.963 7.234 7.235 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 -5.685 -7.663 4.787 2 HA2 GLY 1 HA2 GLY 1 -6.867 -5.886 3.853 3 HA3 GLY 1 HA1 GLY 1 -7.406 -5.423 5.468 4 H PHE 2 HN PHE 2 -6.746 -3.275 4.412 5 HA PHE 2 HA PHE 2 -4.157 -2.580 5.450 6 HB2 PHE 2 HB2 PHE 2 -3.532 -3.388 3.229 7 HB3 PHE 2 HB1 PHE 2 -4.731 -2.343 2.487 8 HD1 PHE 2 HD1 PHE 2 -4.052 -0.312 1.656 9 HD2 PHE 2 HD2 PHE 2 -1.756 -2.174 4.704 10 HE1 PHE 2 HE1 PHE 2 -2.379 1.473 1.477 11 HE2 PHE 2 HE2 PHE 2 -0.081 -0.400 4.532 12 HZ PHE 2 HZ PHE 2 -0.386 1.432 2.916 13 H CYS 3 HN CYS 3 -3.972 -0.371 5.851 14 HA CYS 3 HA CYS 3 -6.131 1.360 5.003 15 HB2 CYS 3 HB2 CYS 3 -5.166 1.047 7.857 16 HB3 CYS 3 HB1 CYS 3 -6.255 2.301 7.286 17 H TRP 4 HN TRP 4 -5.393 3.359 4.565 18 HA TRP 4 HA TRP 4 -2.884 4.263 5.629 19 HB2 TRP 4 HB2 TRP 4 -2.362 2.868 3.563 20 HB3 TRP 4 HB1 TRP 4 -3.231 4.069 2.627 21 HD1 TRP 4 HD1 TRP 4 -1.825 6.111 1.841 22 HE1 TRP 4 HE1 TRP 4 0.567 6.956 2.298 23 HE3 TRP 4 3HE TRP 4 -0.569 2.916 5.607 24 HZ2 TRP 4 HZ2 TRP 4 2.698 6.339 4.057 25 HZ3 TRP 4 HZ3 TRP 4 1.659 3.105 6.627 26 HH2 TRP 4 2HH TRP 4 3.254 4.780 5.865 27 H HIS 5 HN HIS 5 -3.013 6.395 5.905 28 HA HIS 5 HA HIS 5 -3.980 8.385 6.195 29 HB2 HIS 5 HB2 HIS 5 -4.366 8.050 3.224 30 HB3 HIS 5 HB1 HIS 5 -4.782 9.543 4.063 31 HD1 HIS 5 HD1 HIS 5 -2.197 8.437 2.062 32 HD2 HIS 5 HD2 HIS 5 -2.269 10.146 5.841 33 HE1 HIS 5 HE1 HIS 5 0.098 9.434 2.430 34 H HIS 6 HN HIS 6 -5.527 6.280 6.905 35 HA HIS 6 HA HIS 6 -7.476 5.899 7.902 36 HB2 HIS 6 HB2 HIS 6 -8.264 8.671 6.985 37 HB3 HIS 6 HB1 HIS 6 -9.248 7.665 8.041 38 HD1 HIS 6 HD1 HIS 6 -8.498 7.496 10.535 39 HD2 HIS 6 HD2 HIS 6 -5.964 9.748 8.136 40 HE1 HIS 6 HE1 HIS 6 -6.925 8.698 12.097 41 H SER 7 HN SER 7 -7.070 5.647 4.819 42 HA SER 7 HA SER 7 -9.847 4.893 4.315 43 HB2 SER 7 HB2 SER 7 -7.541 5.319 2.414 44 HB3 SER 7 HB1 SER 7 -9.196 4.912 1.937 45 HG SER 7 HG SER 7 -9.411 6.967 3.506 46 H CYS 8 HN CYS 8 -10.284 2.710 3.876 47 HA CYS 8 HA CYS 8 -7.985 0.915 4.185 48 HB2 CYS 8 HB2 CYS 8 -10.682 0.630 5.495 49 HB3 CYS 8 HB1 CYS 8 -9.379 -0.543 5.570 50 H VAL 9 HN VAL 9 -8.210 -1.149 3.400 51 HA VAL 9 HA VAL 9 -10.446 -1.703 1.620 52 HB VAL 9 HB VAL 9 -8.864 -2.995 0.134 53 HG11 VAL 9 HG11 VAL 9 -9.612 -0.798 -0.562 54 HG12 VAL 9 HG12 VAL 9 -7.939 -1.053 -1.055 55 HG13 VAL 9 3HG1 VAL 9 -8.301 -0.043 0.344 56 HG21 VAL 9 HG21 VAL 9 -6.719 -1.554 1.698 57 HG22 VAL 9 HG22 VAL 9 -6.453 -2.501 0.232 58 HG23 VAL 9 HG23 VAL 9 -7.018 -3.293 1.705 59 HA PRO 10 HA PRO 10 -10.916 -5.276 4.140 60 HB2 PRO 10 HB2 PRO 10 -11.995 -7.012 2.345 61 HB3 PRO 10 HB1 PRO 10 -12.900 -5.692 3.084 62 HG2 PRO 10 HG2 PRO 10 -11.568 -5.818 0.410 63 HG3 PRO 10 HG1 PRO 10 -13.174 -5.183 0.821 64 HD2 PRO 10 HD2 PRO 10 -11.086 -3.563 0.420 65 HD3 PRO 10 HD1 PRO 10 -12.300 -3.209 1.668 66 H SER 11 HN SER 11 -10.359 -7.516 4.370 67 HA SER 11 HA SER 11 -7.751 -8.208 3.600 68 HB2 SER 11 HB2 SER 11 -9.982 -9.972 4.630 69 HB3 SER 11 HB1 SER 11 -8.245 -10.247 4.783 70 HG SER 11 HG SER 11 -8.871 -9.397 6.678 71 H GLY 12 HN GLY 12 -7.099 -9.309 1.814 72 HA2 GLY 12 HA2 GLY 12 -7.520 -11.072 0.197 73 HA3 GLY 12 HA1 GLY 12 -9.194 -10.537 0.158 74 H THR 13 HN THR 13 -8.084 -7.699 0.269 75 HA THR 13 HA THR 13 -8.103 -7.185 -2.515 76 HB THR 13 HB THR 13 -7.122 -5.383 -0.268 77 HG1 THR 13 HG1 THR 13 -9.119 -5.712 0.325 78 HG21 THR 13 HG21 THR 13 -7.800 -3.546 -1.774 79 HG22 THR 13 HG22 THR 13 -8.248 -4.727 -3.005 80 HG23 THR 13 HG23 THR 13 -6.564 -4.557 -2.522 81 H CYS 14 HN CYS 14 -6.308 -6.627 -3.868 82 HA CYS 14 HA CYS 14 -3.686 -6.977 -2.698 83 HB2 CYS 14 HB2 CYS 14 -4.534 -9.125 -3.550 84 HB3 CYS 14 HB1 CYS 14 -4.643 -8.435 -5.173 85 H ALA 15 HN ALA 15 -2.111 -5.866 -3.795 86 HA ALA 15 HA ALA 15 -3.038 -4.100 -5.942 87 HB1 ALA 15 HB1 ALA 15 -3.439 -2.888 -3.854 88 HB2 ALA 15 HB2 ALA 15 -2.171 -2.115 -4.809 89 HB3 ALA 15 HB3 ALA 15 -1.748 -3.099 -3.407 90 H ASP 16 HN ASP 16 -1.291 -2.948 -6.987 91 HA ASP 16 HA ASP 16 1.130 -4.563 -6.968 92 HB2 ASP 16 HB2 ASP 16 1.599 -3.678 -9.200 93 HB3 ASP 16 HB1 ASP 16 -0.009 -4.378 -9.147 94 H PHE 17 HN PHE 17 2.982 -3.786 -6.360 95 HA PHE 17 HA PHE 17 3.235 -0.919 -5.783 96 HB2 PHE 17 HB2 PHE 17 4.281 -3.321 -4.286 97 HB3 PHE 17 HB1 PHE 17 4.768 -1.671 -3.960 98 HD1 PHE 17 HD1 PHE 17 3.351 -0.198 -2.756 99 HD2 PHE 17 HD2 PHE 17 2.086 -4.149 -3.679 100 HE1 PHE 17 HE1 PHE 17 1.593 -0.020 -1.073 101 HE2 PHE 17 HE2 PHE 17 0.306 -3.975 -1.997 102 HZ PHE 17 HZ PHE 17 0.067 -1.901 -0.685 103 HA PRO 18 HA PRO 18 7.141 -1.410 -8.013 104 HB2 PRO 18 HB2 PRO 18 8.585 0.328 -6.186 105 HB3 PRO 18 HB1 PRO 18 8.042 0.667 -7.829 106 HG2 PRO 18 HG2 PRO 18 6.997 1.880 -5.619 107 HG3 PRO 18 HG1 PRO 18 6.109 1.647 -7.132 108 HD2 PRO 18 HD2 PRO 18 5.974 0.090 -4.591 109 HD3 PRO 18 HD1 PRO 18 4.668 0.566 -5.698 110 H TRP 19 HN TRP 19 9.482 -1.948 -7.618 111 HA TRP 19 HA TRP 19 9.869 -4.170 -5.989 112 HB2 TRP 19 HB2 TRP 19 11.218 -3.461 -8.023 113 HB3 TRP 19 HB1 TRP 19 11.994 -2.251 -7.015 114 HD1 TRP 19 HD1 TRP 19 11.964 -5.962 -7.773 115 HE1 TRP 19 HE1 TRP 19 13.986 -7.088 -6.652 116 HE3 TRP 19 3HE TRP 19 13.623 -2.037 -4.954 117 HZ2 TRP 19 HZ2 TRP 19 16.016 -6.408 -4.824 118 HZ3 TRP 19 HZ3 TRP 19 15.606 -2.358 -3.546 119 HH2 TRP 19 2HH TRP 19 16.780 -4.500 -3.482 120 HA PRO 20 HA PRO 20 11.034 -5.223 -4.715 121 HB2 PRO 20 HB2 PRO 20 11.678 -6.170 -2.307 122 HB3 PRO 20 HB1 PRO 20 12.843 -5.320 -3.325 123 HG2 PRO 20 HG2 PRO 20 11.533 -4.422 -0.846 124 HG3 PRO 20 HG1 PRO 20 13.022 -3.848 -1.611 125 HD2 PRO 20 HD2 PRO 20 10.368 -2.702 -1.749 126 HD3 PRO 20 HD1 PRO 20 11.883 -2.072 -2.411 127 H LEU 21 HN LEU 21 8.490 -3.746 -3.613 128 HA LEU 21 HA LEU 21 7.302 -5.804 -1.983 129 HB2 LEU 21 HB2 LEU 21 6.194 -3.251 -3.137 130 HB3 LEU 21 HB1 LEU 21 5.160 -4.425 -2.360 131 HG LEU 21 HG LEU 21 6.516 -4.092 -0.261 132 HD11 LEU 21 HD11 LEU 21 7.766 -2.047 -0.056 133 HD12 LEU 21 HD12 LEU 21 7.627 -1.802 -1.814 134 HD13 LEU 21 HD13 LEU 21 8.513 -3.198 -1.170 135 HD21 LEU 21 HD21 LEU 21 5.119 -1.681 -1.374 136 HD22 LEU 21 HD22 LEU 21 5.462 -1.992 0.330 137 HD23 LEU 21 HD23 LEU 21 4.367 -3.052 -0.560 138 H GLY 22 HN GLY 22 6.615 -4.454 -5.196 139 HA2 GLY 22 HA2 GLY 22 5.885 -5.527 -7.102 140 HA3 GLY 22 HA1 GLY 22 6.103 -7.064 -6.270 141 H HIS 23 HN HIS 23 4.139 -7.887 -6.984 142 HA HIS 23 HA HIS 23 1.742 -6.438 -6.301 143 HB2 HIS 23 HB2 HIS 23 0.480 -8.337 -7.308 144 HB3 HIS 23 HB1 HIS 23 1.691 -7.707 -8.405 145 HD1 HIS 23 HD1 HIS 23 0.358 -10.817 -7.241 146 HD2 HIS 23 HD2 HIS 23 4.138 -9.467 -8.283 147 HE1 HIS 23 HE1 HIS 23 1.712 -12.874 -7.749 148 H GLN 24 HN GLN 24 1.219 -6.307 -4.277 149 HA GLN 24 HA GLN 24 1.571 -8.692 -2.622 150 HB2 GLN 24 HB2 GLN 24 1.838 -5.812 -1.895 151 HB3 GLN 24 HB1 GLN 24 1.582 -7.061 -0.687 152 HG2 GLN 24 HG2 GLN 24 3.617 -8.187 -1.427 153 HG3 GLN 24 HG1 GLN 24 3.867 -6.913 -2.626 154 HE21 GLN 24 1HE2 GLN 24 5.403 -7.773 -0.271 155 HE22 GLN 24 2HE2 GLN 24 5.611 -6.330 0.666 156 H CYS 25 HN CYS 25 0.049 -9.399 -1.419 157 HA CYS 25 HA CYS 25 -2.566 -8.165 -1.812 158 HB2 CYS 25 HB2 CYS 25 -1.917 -11.040 -1.123 159 HB3 CYS 25 HB1 CYS 25 -3.518 -10.387 -1.447 160 H PHE 26 HN PHE 26 -3.952 -7.929 -0.007 161 HA PHE 26 HA PHE 26 -2.419 -7.639 2.477 162 HB2 PHE 26 HB2 PHE 26 -5.086 -6.407 1.791 163 HB3 PHE 26 HB1 PHE 26 -4.010 -5.961 3.109 164 HD1 PHE 26 HD1 PHE 26 -1.582 -5.227 2.319 165 HD2 PHE 26 HD2 PHE 26 -5.077 -5.138 -0.098 166 HE1 PHE 26 HE1 PHE 26 -0.532 -3.555 0.858 167 HE2 PHE 26 HE2 PHE 26 -4.037 -3.473 -1.559 168 HZ PHE 26 HZ PHE 26 -1.771 -2.681 -1.093 169 HA PRO 27 HA PRO 27 -4.918 -11.302 3.584 170 HB2 PRO 27 HB2 PRO 27 -3.082 -11.385 5.885 171 HB3 PRO 27 HB1 PRO 27 -3.384 -12.616 4.655 172 HG2 PRO 27 HG2 PRO 27 -1.079 -11.253 4.704 173 HG3 PRO 27 HG1 PRO 27 -1.852 -11.702 3.176 174 HD2 PRO 27 HD2 PRO 27 -1.871 -9.069 4.603 175 HD3 PRO 27 HD1 PRO 27 -1.621 -9.428 2.877 176 H ASP 28 HN ASP 28 -3.887 -8.755 5.774 177 HA ASP 28 HA ASP 28 -6.268 -9.239 7.444 178 HB2 ASP 28 HB2 ASP 28 -3.773 -7.615 8.017 179 HB3 ASP 28 HB1 ASP 28 -5.163 -7.699 9.086 180 H1 GLY 1 HN GLY 1 7.304 7.522 3.283 181 HA2 GLY 1 HA2 GLY 1 8.342 5.793 2.073 182 HA3 GLY 1 HA1 GLY 1 9.276 5.380 3.514 183 H PHE 2 HN PHE 2 8.363 3.194 2.749 184 HA PHE 2 HA PHE 2 6.073 2.605 4.424 185 HB2 PHE 2 HB2 PHE 2 5.031 3.366 2.336 186 HB3 PHE 2 HB1 PHE 2 5.971 2.197 1.434 187 HD1 PHE 2 HD1 PHE 2 5.015 0.184 0.911 188 HD2 PHE 2 HD2 PHE 2 3.506 2.408 4.196 189 HE1 PHE 2 HE1 PHE 2 3.179 -1.424 1.148 190 HE2 PHE 2 HE2 PHE 2 1.674 0.805 4.447 191 HZ PHE 2 HZ PHE 2 1.505 -1.120 2.917 192 H CYS 3 HN CYS 3 6.115 0.484 5.095 193 HA CYS 3 HA CYS 3 7.956 -1.321 3.758 194 HB2 CYS 3 HB2 CYS 3 7.897 -0.766 6.734 195 HB3 CYS 3 HB1 CYS 3 8.725 -2.121 5.991 196 H TRP 4 HN TRP 4 6.824 -2.967 3.176 197 HA TRP 4 HA TRP 4 4.770 -3.983 4.986 198 HB2 TRP 4 HB2 TRP 4 3.805 -2.650 3.063 199 HB3 TRP 4 HB1 TRP 4 4.536 -3.810 1.989 200 HD1 TRP 4 HD1 TRP 4 3.307 -6.042 1.576 201 HE1 TRP 4 HE1 TRP 4 1.049 -7.029 2.303 202 HE3 TRP 4 3HE TRP 4 2.107 -2.665 5.200 203 HZ2 TRP 4 HZ2 TRP 4 -0.976 -6.451 4.187 204 HZ3 TRP 4 HZ3 TRP 4 -0.012 -2.952 6.418 205 HH2 TRP 4 2HH TRP 4 -1.517 -4.806 5.920 206 H HIS 5 HN HIS 5 5.353 -5.906 5.532 207 HA HIS 5 HA HIS 5 6.441 -7.824 5.685 208 HB2 HIS 5 HB2 HIS 5 5.245 -8.119 2.944 209 HB3 HIS 5 HB1 HIS 5 6.102 -9.437 3.741 210 HD1 HIS 5 HD1 HIS 5 2.763 -8.147 3.368 211 HD2 HIS 5 HD2 HIS 5 4.924 -9.949 6.418 212 HE1 HIS 5 HE1 HIS 5 1.070 -9.009 5.002 213 H HIS 6 HN HIS 6 8.272 -6.353 5.732 214 HA HIS 6 HA HIS 6 10.492 -6.214 5.670 215 HB2 HIS 6 HB2 HIS 6 10.287 -8.870 4.240 216 HB3 HIS 6 HB1 HIS 6 11.815 -8.144 4.720 217 HD1 HIS 6 HD1 HIS 6 12.646 -9.032 6.926 218 HD2 HIS 6 HD2 HIS 6 8.497 -9.094 6.676 219 HE1 HIS 6 HE1 HIS 6 11.831 -10.036 9.069 220 H SER 7 HN SER 7 8.727 -5.389 3.287 221 HA SER 7 HA SER 7 10.957 -4.857 1.456 222 HB2 SER 7 HB2 SER 7 8.010 -5.060 0.811 223 HB3 SER 7 HB1 SER 7 9.349 -4.951 -0.340 224 HG SER 7 HG SER 7 8.832 -7.034 1.490 225 H CYS 8 HN CYS 8 11.410 -2.681 1.271 226 HA CYS 8 HA CYS 8 9.372 -0.821 2.260 227 HB2 CYS 8 HB2 CYS 8 12.363 -0.657 2.646 228 HB3 CYS 8 HB1 CYS 8 11.207 0.580 3.125 229 H VAL 9 HN VAL 9 9.202 1.132 1.288 230 HA VAL 9 HA VAL 9 10.829 1.629 -1.088 231 HB VAL 9 HB VAL 9 8.817 2.833 -2.098 232 HG11 VAL 9 HG11 VAL 9 7.724 0.766 -2.904 233 HG12 VAL 9 HG12 VAL 9 8.627 -0.129 -1.671 234 HG13 VAL 9 3HG1 VAL 9 9.486 0.700 -2.962 235 HG21 VAL 9 HG21 VAL 9 7.479 3.055 -0.068 236 HG22 VAL 9 HG22 VAL 9 7.317 1.299 0.021 237 HG23 VAL 9 HG23 VAL 9 6.583 2.186 -1.316 238 HA PRO 10 HA PRO 10 11.994 5.340 0.812 239 HB2 PRO 10 HB2 PRO 10 12.293 7.006 -1.299 240 HB3 PRO 10 HB1 PRO 10 13.421 5.691 -0.935 241 HG2 PRO 10 HG2 PRO 10 11.145 5.761 -2.885 242 HG3 PRO 10 HG1 PRO 10 12.791 5.150 -3.127 243 HD2 PRO 10 HD2 PRO 10 10.758 3.497 -2.634 244 HD3 PRO 10 HD1 PRO 10 12.368 3.196 -1.950 245 H SER 11 HN SER 11 11.545 7.566 1.195 246 HA SER 11 HA SER 11 8.860 8.177 1.632 247 HB2 SER 11 HB2 SER 11 11.232 10.046 1.597 248 HB3 SER 11 HB1 SER 11 9.742 10.215 2.527 249 HG SER 11 HG SER 11 11.012 9.330 3.977 250 H GLY 12 HN GLY 12 7.410 9.097 0.281 251 HA2 GLY 12 HA2 GLY 12 6.841 10.914 -1.168 252 HA3 GLY 12 HA1 GLY 12 8.425 10.761 -1.908 253 H THR 13 HN THR 13 7.716 7.712 -1.593 254 HA THR 13 HA THR 13 7.008 7.330 -4.300 255 HB THR 13 HB THR 13 6.980 5.371 -1.985 256 HG1 THR 13 HG1 THR 13 9.006 5.866 -2.076 257 HG21 THR 13 HG21 THR 13 5.762 4.526 -3.961 258 HG22 THR 13 HG22 THR 13 7.267 3.641 -3.714 259 HG23 THR 13 HG23 THR 13 7.165 4.874 -4.970 260 H CYS 14 HN CYS 14 5.024 7.153 -5.201 261 HA CYS 14 HA CYS 14 2.721 6.824 -3.424 262 HB2 CYS 14 HB2 CYS 14 2.787 8.143 -6.159 263 HB3 CYS 14 HB1 CYS 14 1.398 8.027 -5.082 264 H ALA 15 HN ALA 15 1.250 5.260 -3.966 265 HA ALA 15 HA ALA 15 1.994 3.549 -6.230 266 HB1 ALA 15 HB1 ALA 15 1.447 1.574 -4.889 267 HB2 ALA 15 HB2 ALA 15 1.108 2.609 -3.500 268 HB3 ALA 15 HB3 ALA 15 2.745 2.509 -4.144 269 H ASP 16 HN ASP 16 0.223 2.172 -6.970 270 HA ASP 16 HA ASP 16 -2.234 3.736 -7.030 271 HB2 ASP 16 HB2 ASP 16 -1.160 3.147 -9.172 272 HB3 ASP 16 HB1 ASP 16 -1.328 1.441 -8.779 273 H PHE 17 HN PHE 17 -3.735 3.184 -5.647 274 HA PHE 17 HA PHE 17 -4.247 0.340 -5.061 275 HB2 PHE 17 HB2 PHE 17 -4.755 2.819 -3.410 276 HB3 PHE 17 HB1 PHE 17 -5.300 1.214 -2.982 277 HD1 PHE 17 HD1 PHE 17 -3.832 -0.347 -2.009 278 HD2 PHE 17 HD2 PHE 17 -2.413 3.434 -3.297 279 HE1 PHE 17 HE1 PHE 17 -1.796 -0.677 -0.704 280 HE2 PHE 17 HE2 PHE 17 -0.355 3.113 -1.995 281 HZ PHE 17 HZ PHE 17 -0.049 1.057 -0.689 282 HA PRO 18 HA PRO 18 -8.497 1.453 -6.358 283 HB2 PRO 18 HB2 PRO 18 -9.700 -0.309 -4.391 284 HB3 PRO 18 HB1 PRO 18 -9.549 -0.575 -6.126 285 HG2 PRO 18 HG2 PRO 18 -8.211 -2.048 -4.252 286 HG3 PRO 18 HG1 PRO 18 -7.615 -1.783 -5.898 287 HD2 PRO 18 HD2 PRO 18 -6.817 -0.417 -3.355 288 HD3 PRO 18 HD1 PRO 18 -5.816 -0.962 -4.714 289 H TRP 19 HN TRP 19 -10.606 2.205 -5.329 290 HA TRP 19 HA TRP 19 -10.206 4.226 -3.377 291 HB2 TRP 19 HB2 TRP 19 -11.949 4.614 -4.928 292 HB3 TRP 19 HB1 TRP 19 -12.619 3.009 -4.703 293 HD1 TRP 19 HD1 TRP 19 -13.853 2.633 -2.559 294 HE1 TRP 19 HE1 TRP 19 -15.471 4.109 -1.099 295 HE3 TRP 19 3HE TRP 19 -12.178 7.081 -4.049 296 HZ2 TRP 19 HZ2 TRP 19 -15.851 6.880 -0.685 297 HZ3 TRP 19 HZ3 TRP 19 -13.134 9.109 -3.070 298 HH2 TRP 19 2HH TRP 19 -14.934 9.024 -1.441 299 HA PRO 20 HA PRO 20 -11.396 5.299 -1.985 300 HB2 PRO 20 HB2 PRO 20 -10.739 5.767 0.835 301 HB3 PRO 20 HB1 PRO 20 -12.171 6.246 -0.088 302 HG2 PRO 20 HG2 PRO 20 -12.349 4.347 1.733 303 HG3 PRO 20 HG1 PRO 20 -13.169 4.265 0.146 304 HD2 PRO 20 HD2 PRO 20 -10.525 2.974 0.897 305 HD3 PRO 20 HD1 PRO 20 -11.980 2.178 0.240 306 H LEU 21 HN LEU 21 -8.785 3.496 -1.390 307 HA LEU 21 HA LEU 21 -6.876 5.363 -0.439 308 HB2 LEU 21 HB2 LEU 21 -6.580 2.730 -1.870 309 HB3 LEU 21 HB1 LEU 21 -5.222 3.652 -1.261 310 HG LEU 21 HG LEU 21 -7.438 2.599 0.508 311 HD11 LEU 21 HD11 LEU 21 -5.868 0.878 1.163 312 HD12 LEU 21 HD12 LEU 21 -4.705 1.457 -0.031 313 HD13 LEU 21 HD13 LEU 21 -6.235 0.747 -0.557 314 HD21 LEU 21 HD21 LEU 21 -4.667 3.557 1.135 315 HD22 LEU 21 HD22 LEU 21 -5.915 3.091 2.294 316 HD23 LEU 21 HD23 LEU 21 -6.111 4.540 1.305 317 H GLY 22 HN GLY 22 -7.236 3.883 -3.644 318 HA2 GLY 22 HA2 GLY 22 -6.816 4.738 -5.742 319 HA3 GLY 22 HA1 GLY 22 -6.989 6.343 -5.029 320 H HIS 23 HN HIS 23 -5.250 7.433 -5.669 321 HA HIS 23 HA HIS 23 -2.683 6.157 -5.628 322 HB2 HIS 23 HB2 HIS 23 -1.829 8.491 -6.312 323 HB3 HIS 23 HB1 HIS 23 -2.850 7.642 -7.455 324 HD1 HIS 23 HD1 HIS 23 -4.851 8.921 -8.306 325 HD2 HIS 23 HD2 HIS 23 -3.214 10.631 -4.908 326 HE1 HIS 23 HE1 HIS 23 -6.033 11.122 -8.004 327 H GLN 24 HN GLN 24 -1.791 5.772 -3.801 328 HA GLN 24 HA GLN 24 -2.029 7.764 -1.659 329 HB2 GLN 24 HB2 GLN 24 -1.672 4.791 -1.535 330 HB3 GLN 24 HB1 GLN 24 -1.375 5.833 -0.151 331 HG2 GLN 24 HG2 GLN 24 -3.968 5.655 -1.655 332 HG3 GLN 24 HG1 GLN 24 -3.605 4.819 -0.143 333 HE21 GLN 24 1HE2 GLN 24 -5.599 6.885 -0.825 334 HE22 GLN 24 2HE2 GLN 24 -5.330 8.146 0.329 335 H CYS 25 HN CYS 25 -0.299 8.548 -0.696 336 HA CYS 25 HA CYS 25 2.252 7.768 -1.867 337 HB2 CYS 25 HB2 CYS 25 1.392 10.462 -0.809 338 HB3 CYS 25 HB1 CYS 25 2.977 10.056 -1.471 339 H PHE 26 HN PHE 26 3.969 7.531 -0.586 340 HA PHE 26 HA PHE 26 3.336 7.189 2.250 341 HB2 PHE 26 HB2 PHE 26 5.666 6.005 0.741 342 HB3 PHE 26 HB1 PHE 26 5.027 5.508 2.302 343 HD1 PHE 26 HD1 PHE 26 2.383 4.851 2.134 344 HD2 PHE 26 HD2 PHE 26 5.222 4.614 -1.020 345 HE1 PHE 26 HE1 PHE 26 0.990 3.168 1.008 346 HE2 PHE 26 HE2 PHE 26 3.837 2.937 -2.150 347 HZ PHE 26 HZ PHE 26 1.718 2.211 -1.142 348 HA PRO 27 HA PRO 27 5.952 10.954 2.135 349 HB2 PRO 27 HB2 PRO 27 5.291 11.823 4.644 350 HB3 PRO 27 HB1 PRO 27 4.326 12.152 3.202 351 HG2 PRO 27 HG2 PRO 27 3.939 10.081 5.314 352 HG3 PRO 27 HG1 PRO 27 2.731 11.075 4.483 353 HD2 PRO 27 HD2 PRO 27 3.180 8.493 3.852 354 HD3 PRO 27 HD1 PRO 27 2.674 9.690 2.646 355 H ASP 28 HN ASP 28 5.880 8.554 4.695 356 HA ASP 28 HA ASP 28 8.615 9.335 5.522 357 HB2 ASP 28 HB2 ASP 28 6.710 7.394 6.870 358 HB3 ASP 28 HB1 ASP 28 8.267 7.899 7.480 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 -6.365 -7.741 4.491 2 HA2 GLY 1 HA2 GLY 1 -7.530 -6.028 3.321 3 HA3 GLY 1 HA1 GLY 1 -8.228 -5.508 4.859 4 H PHE 2 HN PHE 2 -7.332 -3.405 4.042 5 HA PHE 2 HA PHE 2 -4.753 -3.050 5.288 6 HB2 PHE 2 HB2 PHE 2 -4.159 -3.582 2.951 7 HB3 PHE 2 HB1 PHE 2 -5.193 -2.282 2.390 8 HD1 PHE 2 HD1 PHE 2 -4.263 -0.207 1.993 9 HD2 PHE 2 HD2 PHE 2 -2.244 -2.907 4.573 10 HE1 PHE 2 HE1 PHE 2 -2.359 1.338 2.105 11 HE2 PHE 2 HE2 PHE 2 -0.333 -1.369 4.694 12 HZ PHE 2 HZ PHE 2 -0.388 0.759 3.457 13 H CYS 3 HN CYS 3 -4.570 -1.084 6.179 14 HA CYS 3 HA CYS 3 -6.582 0.915 5.493 15 HB2 CYS 3 HB2 CYS 3 -5.690 0.120 8.274 16 HB3 CYS 3 HB1 CYS 3 -6.693 1.515 7.902 17 H TRP 4 HN TRP 4 -5.737 2.820 5.102 18 HA TRP 4 HA TRP 4 -3.429 3.792 6.468 19 HB2 TRP 4 HB2 TRP 4 -2.553 2.359 4.517 20 HB3 TRP 4 HB1 TRP 4 -3.279 3.545 3.448 21 HD1 TRP 4 HD1 TRP 4 -2.063 5.974 3.343 22 HE1 TRP 4 HE1 TRP 4 0.322 6.713 4.011 23 HE3 TRP 4 3HE TRP 4 -0.687 1.943 6.172 24 HZ2 TRP 4 HZ2 TRP 4 2.478 5.733 5.504 25 HZ3 TRP 4 HZ3 TRP 4 1.570 1.927 7.175 26 HH2 TRP 4 2HH TRP 4 3.106 3.780 6.846 27 H HIS 5 HN HIS 5 -3.506 6.035 6.422 28 HA HIS 5 HA HIS 5 -4.433 8.084 6.312 29 HB2 HIS 5 HB2 HIS 5 -3.860 7.822 3.842 30 HB3 HIS 5 HB1 HIS 5 -5.487 7.225 3.581 31 HD1 HIS 5 HD1 HIS 5 -6.825 9.043 2.468 32 HD2 HIS 5 HD2 HIS 5 -4.194 10.527 5.314 33 HE1 HIS 5 HE1 HIS 5 -7.190 11.531 2.517 34 H HIS 6 HN HIS 6 -5.851 5.752 7.329 35 HA HIS 6 HA HIS 6 -7.722 5.225 8.413 36 HB2 HIS 6 HB2 HIS 6 -8.581 8.064 7.777 37 HB3 HIS 6 HB1 HIS 6 -9.502 6.975 8.805 38 HD1 HIS 6 HD1 HIS 6 -8.887 7.038 11.278 39 HD2 HIS 6 HD2 HIS 6 -5.927 8.645 8.838 40 HE1 HIS 6 HE1 HIS 6 -7.146 7.968 12.819 41 H SER 7 HN SER 7 -7.448 5.136 5.355 42 HA SER 7 HA SER 7 -10.245 4.559 4.818 43 HB2 SER 7 HB2 SER 7 -7.863 5.027 3.030 44 HB3 SER 7 HB1 SER 7 -9.482 4.683 2.410 45 HG SER 7 HG SER 7 -9.164 6.757 4.249 46 H CYS 8 HN CYS 8 -10.759 2.409 4.356 47 HA CYS 8 HA CYS 8 -8.501 0.538 4.496 48 HB2 CYS 8 HB2 CYS 8 -11.214 0.263 5.778 49 HB3 CYS 8 HB1 CYS 8 -9.985 -0.994 5.746 50 H VAL 9 HN VAL 9 -8.549 -1.229 3.230 51 HA VAL 9 HA VAL 9 -10.814 -1.509 1.388 52 HB VAL 9 HB VAL 9 -9.245 -2.757 -0.147 53 HG11 VAL 9 HG11 VAL 9 -8.064 -0.784 -0.997 54 HG12 VAL 9 HG12 VAL 9 -8.448 0.064 0.502 55 HG13 VAL 9 3HG1 VAL 9 -9.743 -0.434 -0.583 56 HG21 VAL 9 HG21 VAL 9 -7.562 -3.426 1.493 57 HG22 VAL 9 HG22 VAL 9 -7.119 -1.736 1.732 58 HG23 VAL 9 HG23 VAL 9 -6.819 -2.513 0.176 59 HA PRO 10 HA PRO 10 -11.968 -5.249 3.258 60 HB2 PRO 10 HB2 PRO 10 -12.541 -6.832 1.068 61 HB3 PRO 10 HB1 PRO 10 -13.625 -5.618 1.752 62 HG2 PRO 10 HG2 PRO 10 -11.765 -5.399 -0.580 63 HG3 PRO 10 HG1 PRO 10 -13.421 -4.788 -0.407 64 HD2 PRO 10 HD2 PRO 10 -11.330 -3.162 -0.170 65 HD3 PRO 10 HD1 PRO 10 -12.747 -2.978 0.881 66 H SER 11 HN SER 11 -11.393 -7.370 3.756 67 HA SER 11 HA SER 11 -8.674 -8.138 3.619 68 HB2 SER 11 HB2 SER 11 -11.098 -9.854 4.167 69 HB3 SER 11 HB1 SER 11 -9.456 -10.097 4.758 70 HG SER 11 HG SER 11 -9.837 -7.865 5.754 71 H GLY 12 HN GLY 12 -7.570 -9.032 1.980 72 HA2 GLY 12 HA2 GLY 12 -7.418 -10.948 0.510 73 HA3 GLY 12 HA1 GLY 12 -9.098 -10.670 0.073 74 H THR 13 HN THR 13 -8.223 -7.679 0.204 75 HA THR 13 HA THR 13 -7.897 -7.374 -2.595 76 HB THR 13 HB THR 13 -7.471 -5.312 -0.406 77 HG1 THR 13 HG1 THR 13 -9.499 -5.795 -0.119 78 HG21 THR 13 HG21 THR 13 -8.063 -3.681 -2.154 79 HG22 THR 13 HG22 THR 13 -8.215 -4.985 -3.330 80 HG23 THR 13 HG23 THR 13 -6.640 -4.608 -2.633 81 H CYS 14 HN CYS 14 -6.076 -6.963 -3.787 82 HA CYS 14 HA CYS 14 -3.550 -6.960 -2.354 83 HB2 CYS 14 HB2 CYS 14 -4.119 -9.136 -3.419 84 HB3 CYS 14 HB1 CYS 14 -4.165 -8.328 -4.987 85 H ALA 15 HN ALA 15 -1.952 -5.696 -3.354 86 HA ALA 15 HA ALA 15 -3.016 -3.843 -5.372 87 HB1 ALA 15 HB1 ALA 15 -2.002 -1.953 -4.224 88 HB2 ALA 15 HB2 ALA 15 -1.424 -3.022 -2.947 89 HB3 ALA 15 HB3 ALA 15 -3.156 -2.774 -3.173 90 H ASP 16 HN ASP 16 -1.408 -2.668 -6.548 91 HA ASP 16 HA ASP 16 1.003 -4.247 -6.959 92 HB2 ASP 16 HB2 ASP 16 -0.363 -3.920 -8.930 93 HB3 ASP 16 HB1 ASP 16 -0.363 -2.179 -8.681 94 H PHE 17 HN PHE 17 2.818 -3.539 -6.221 95 HA PHE 17 HA PHE 17 3.230 -0.685 -5.672 96 HB2 PHE 17 HB2 PHE 17 4.200 -3.161 -4.253 97 HB3 PHE 17 HB1 PHE 17 4.886 -1.575 -3.982 98 HD1 PHE 17 HD1 PHE 17 2.069 -3.785 -3.403 99 HD2 PHE 17 HD2 PHE 17 3.667 0.098 -2.797 100 HE1 PHE 17 HE1 PHE 17 0.440 -3.400 -1.622 101 HE2 PHE 17 HE2 PHE 17 2.055 0.505 -1.023 102 HZ PHE 17 HZ PHE 17 0.432 -1.234 -0.415 103 HA PRO 18 HA PRO 18 6.945 -1.540 -8.071 104 HB2 PRO 18 HB2 PRO 18 8.610 0.381 -7.253 105 HB3 PRO 18 HB1 PRO 18 7.138 0.790 -8.143 106 HG2 PRO 18 HG2 PRO 18 7.704 0.992 -5.224 107 HG3 PRO 18 HG1 PRO 18 6.788 2.090 -6.268 108 HD2 PRO 18 HD2 PRO 18 5.707 0.158 -4.597 109 HD3 PRO 18 HD1 PRO 18 4.849 0.921 -5.940 110 H TRP 19 HN TRP 19 9.294 -2.038 -7.721 111 HA TRP 19 HA TRP 19 9.868 -3.864 -5.692 112 HB2 TRP 19 HB2 TRP 19 11.214 -3.942 -7.655 113 HB3 TRP 19 HB1 TRP 19 11.609 -2.236 -7.546 114 HD1 TRP 19 HD1 TRP 19 13.220 -1.582 -5.736 115 HE1 TRP 19 HE1 TRP 19 15.338 -2.720 -4.689 116 HE3 TRP 19 3HE TRP 19 12.041 -6.297 -6.865 117 HZ2 TRP 19 HZ2 TRP 19 16.267 -5.374 -4.385 118 HZ3 TRP 19 HZ3 TRP 19 13.521 -8.101 -6.128 119 HH2 TRP 19 2HH TRP 19 15.590 -7.662 -4.934 120 HA PRO 20 HA PRO 20 11.421 -4.613 -4.591 121 HB2 PRO 20 HB2 PRO 20 11.576 -5.015 -1.689 122 HB3 PRO 20 HB1 PRO 20 12.794 -5.310 -2.933 123 HG2 PRO 20 HG2 PRO 20 13.089 -3.296 -1.258 124 HG3 PRO 20 HG1 PRO 20 13.450 -3.183 -3.009 125 HD2 PRO 20 HD2 PRO 20 10.884 -2.315 -1.629 126 HD3 PRO 20 HD1 PRO 20 11.967 -1.309 -2.628 127 H LEU 21 HN LEU 21 8.703 -3.280 -3.512 128 HA LEU 21 HA LEU 21 7.502 -5.424 -2.029 129 HB2 LEU 21 HB2 LEU 21 6.407 -2.855 -3.117 130 HB3 LEU 21 HB1 LEU 21 5.405 -4.031 -2.291 131 HG LEU 21 HG LEU 21 7.791 -2.651 -1.053 132 HD11 LEU 21 HD11 LEU 21 4.833 -2.165 -0.686 133 HD12 LEU 21 HD12 LEU 21 5.955 -1.082 -1.509 134 HD13 LEU 21 HD13 LEU 21 6.134 -1.392 0.218 135 HD21 LEU 21 HD21 LEU 21 7.288 -4.860 -0.144 136 HD22 LEU 21 HD22 LEU 21 5.619 -4.361 0.113 137 HD23 LEU 21 HD23 LEU 21 6.921 -3.575 1.004 138 H GLY 22 HN GLY 22 6.709 -3.968 -5.176 139 HA2 GLY 22 HA2 GLY 22 5.883 -4.971 -7.077 140 HA3 GLY 22 HA1 GLY 22 6.339 -6.521 -6.369 141 H HIS 23 HN HIS 23 4.643 -7.816 -6.216 142 HA HIS 23 HA HIS 23 1.992 -6.651 -5.919 143 HB2 HIS 23 HB2 HIS 23 2.867 -9.501 -6.431 144 HB3 HIS 23 HB1 HIS 23 1.191 -9.012 -6.229 145 HD1 HIS 23 HD1 HIS 23 0.014 -8.114 -8.281 146 HD2 HIS 23 HD2 HIS 23 4.118 -8.455 -8.782 147 HE1 HIS 23 HE1 HIS 23 0.447 -7.708 -10.724 148 H GLN 24 HN GLN 24 1.268 -6.277 -3.952 149 HA GLN 24 HA GLN 24 1.946 -8.223 -1.873 150 HB2 GLN 24 HB2 GLN 24 1.780 -5.232 -1.561 151 HB3 GLN 24 HB1 GLN 24 1.885 -6.358 -0.217 152 HG2 GLN 24 HG2 GLN 24 3.950 -6.014 -2.383 153 HG3 GLN 24 HG1 GLN 24 4.058 -5.396 -0.734 154 HE21 GLN 24 1HE2 GLN 24 5.762 -7.326 -2.217 155 HE22 GLN 24 2HE2 GLN 24 5.798 -8.728 -1.221 156 H CYS 25 HN CYS 25 0.313 -9.195 -1.115 157 HA CYS 25 HA CYS 25 -2.323 -8.061 -1.541 158 HB2 CYS 25 HB2 CYS 25 -1.558 -10.911 -0.897 159 HB3 CYS 25 HB1 CYS 25 -3.155 -10.329 -1.357 160 H PHE 26 HN PHE 26 -3.863 -7.943 0.146 161 HA PHE 26 HA PHE 26 -2.637 -7.953 2.807 162 HB2 PHE 26 HB2 PHE 26 -4.900 -6.243 1.783 163 HB3 PHE 26 HB1 PHE 26 -4.082 -6.098 3.334 164 HD1 PHE 26 HD1 PHE 26 -1.527 -5.642 3.218 165 HD2 PHE 26 HD2 PHE 26 -4.226 -4.932 0.014 166 HE1 PHE 26 HE1 PHE 26 0.068 -4.063 2.229 167 HE2 PHE 26 HE2 PHE 26 -2.636 -3.352 -0.980 168 HZ PHE 26 HZ PHE 26 -0.484 -2.918 0.132 169 HA PRO 27 HA PRO 27 -5.791 -11.228 3.025 170 HB2 PRO 27 HB2 PRO 27 -4.573 -11.926 5.575 171 HB3 PRO 27 HB1 PRO 27 -4.668 -12.878 4.095 172 HG2 PRO 27 HG2 PRO 27 -2.350 -11.788 5.052 173 HG3 PRO 27 HG1 PRO 27 -2.638 -12.146 3.347 174 HD2 PRO 27 HD2 PRO 27 -2.678 -9.529 4.766 175 HD3 PRO 27 HD1 PRO 27 -2.209 -9.922 3.100 176 H ASP 28 HN ASP 28 -5.021 -9.080 5.740 177 HA ASP 28 HA ASP 28 -7.756 -9.535 6.711 178 HB2 ASP 28 HB2 ASP 28 -7.173 -8.353 8.723 179 HB3 ASP 28 HB1 ASP 28 -5.868 -9.483 8.393 180 H1 GLY 1 HN GLY 1 7.463 7.682 2.611 181 HA2 GLY 1 HA2 GLY 1 7.961 5.877 1.208 182 HA3 GLY 1 HA1 GLY 1 9.168 5.332 2.370 183 H PHE 2 HN PHE 2 7.981 3.272 1.923 184 HA PHE 2 HA PHE 2 5.989 2.859 3.994 185 HB2 PHE 2 HB2 PHE 2 4.593 3.401 2.042 186 HB3 PHE 2 HB1 PHE 2 5.468 2.230 1.069 187 HD1 PHE 2 HD1 PHE 2 4.574 0.126 0.807 188 HD2 PHE 2 HD2 PHE 2 3.434 2.436 4.191 189 HE1 PHE 2 HE1 PHE 2 2.967 -1.616 1.447 190 HE2 PHE 2 HE2 PHE 2 1.822 0.695 4.835 191 HZ PHE 2 HZ PHE 2 1.590 -1.335 3.461 192 H CYS 3 HN CYS 3 6.039 0.687 4.698 193 HA CYS 3 HA CYS 3 7.871 -0.999 3.225 194 HB2 CYS 3 HB2 CYS 3 9.042 0.293 5.064 195 HB3 CYS 3 HB1 CYS 3 8.038 -0.596 6.202 196 H TRP 4 HN TRP 4 7.150 -3.000 3.056 197 HA TRP 4 HA TRP 4 5.222 -4.018 4.967 198 HB2 TRP 4 HB2 TRP 4 3.872 -3.000 3.166 199 HB3 TRP 4 HB1 TRP 4 4.757 -3.924 1.966 200 HD1 TRP 4 HD1 TRP 4 4.075 -6.481 1.660 201 HE1 TRP 4 HE1 TRP 4 2.061 -7.851 2.439 202 HE3 TRP 4 3HE TRP 4 2.208 -3.239 5.141 203 HZ2 TRP 4 HZ2 TRP 4 -0.058 -7.599 4.287 204 HZ3 TRP 4 HZ3 TRP 4 0.175 -3.884 6.368 205 HH2 TRP 4 2HH TRP 4 -0.929 -6.024 5.942 206 H HIS 5 HN HIS 5 5.491 -6.142 5.290 207 HA HIS 5 HA HIS 5 6.551 -8.129 5.424 208 HB2 HIS 5 HB2 HIS 5 5.399 -8.324 3.119 209 HB3 HIS 5 HB1 HIS 5 6.974 -7.968 2.418 210 HD1 HIS 5 HD1 HIS 5 8.451 -9.997 2.011 211 HD2 HIS 5 HD2 HIS 5 5.458 -10.721 4.800 212 HE1 HIS 5 HE1 HIS 5 8.594 -12.452 2.583 213 H HIS 6 HN HIS 6 7.999 -5.714 5.718 214 HA HIS 6 HA HIS 6 10.003 -5.047 6.368 215 HB2 HIS 6 HB2 HIS 6 11.117 -7.740 5.533 216 HB3 HIS 6 HB1 HIS 6 11.926 -6.557 6.550 217 HD1 HIS 6 HD1 HIS 6 11.169 -6.474 9.072 218 HD2 HIS 6 HD2 HIS 6 9.122 -9.214 6.736 219 HE1 HIS 6 HE1 HIS 6 9.861 -7.904 10.667 220 H SER 7 HN SER 7 9.175 -5.579 3.303 221 HA SER 7 HA SER 7 11.637 -4.628 2.097 222 HB2 SER 7 HB2 SER 7 8.919 -5.228 0.920 223 HB3 SER 7 HB1 SER 7 10.394 -4.934 -0.003 224 HG SER 7 HG SER 7 11.146 -6.776 1.486 225 H CYS 8 HN CYS 8 11.969 -2.468 2.150 226 HA CYS 8 HA CYS 8 9.621 -0.764 2.509 227 HB2 CYS 8 HB2 CYS 8 12.507 -0.071 3.051 228 HB3 CYS 8 HB1 CYS 8 11.085 0.832 3.541 229 H VAL 9 HN VAL 9 9.116 0.732 1.037 230 HA VAL 9 HA VAL 9 10.914 1.040 -1.216 231 HB VAL 9 HB VAL 9 9.042 2.212 -2.398 232 HG11 VAL 9 HG11 VAL 9 8.350 -0.520 -1.358 233 HG12 VAL 9 HG12 VAL 9 9.352 -0.148 -2.761 234 HG13 VAL 9 3HG1 VAL 9 7.633 0.244 -2.776 235 HG21 VAL 9 HG21 VAL 9 7.819 3.084 -0.470 236 HG22 VAL 9 HG22 VAL 9 7.397 1.443 0.019 237 HG23 VAL 9 HG23 VAL 9 6.755 2.106 -1.484 238 HA PRO 10 HA PRO 10 12.625 4.763 0.202 239 HB2 PRO 10 HB2 PRO 10 12.270 5.843 -2.542 240 HB3 PRO 10 HB1 PRO 10 13.736 5.713 -1.565 241 HG2 PRO 10 HG2 PRO 10 13.336 4.029 -3.567 242 HG3 PRO 10 HG1 PRO 10 14.000 3.452 -2.028 243 HD2 PRO 10 HD2 PRO 10 11.222 3.207 -3.099 244 HD3 PRO 10 HD1 PRO 10 12.226 2.015 -2.240 245 H SER 11 HN SER 11 12.220 6.830 0.838 246 HA SER 11 HA SER 11 9.608 7.799 1.203 247 HB2 SER 11 HB2 SER 11 12.177 9.368 1.161 248 HB3 SER 11 HB1 SER 11 10.738 9.663 2.136 249 HG SER 11 HG SER 11 11.226 7.455 3.048 250 H GLY 12 HN GLY 12 8.270 8.752 -0.252 251 HA2 GLY 12 HA2 GLY 12 7.991 10.613 -1.758 252 HA3 GLY 12 HA1 GLY 12 9.541 10.190 -2.473 253 H THR 13 HN THR 13 8.272 7.312 -1.911 254 HA THR 13 HA THR 13 7.419 6.984 -4.631 255 HB THR 13 HB THR 13 7.423 4.973 -2.359 256 HG1 THR 13 HG1 THR 13 9.481 5.489 -2.586 257 HG21 THR 13 HG21 THR 13 7.416 4.588 -5.364 258 HG22 THR 13 HG22 THR 13 6.047 4.302 -4.292 259 HG23 THR 13 HG23 THR 13 7.493 3.301 -4.161 260 H CYS 14 HN CYS 14 5.341 6.941 -5.322 261 HA CYS 14 HA CYS 14 3.232 6.829 -3.308 262 HB2 CYS 14 HB2 CYS 14 3.445 9.056 -4.363 263 HB3 CYS 14 HB1 CYS 14 3.220 8.325 -5.954 264 H ALA 15 HN ALA 15 1.434 5.583 -3.875 265 HA ALA 15 HA ALA 15 1.939 3.774 -6.138 266 HB1 ALA 15 HB1 ALA 15 1.344 1.847 -4.788 267 HB2 ALA 15 HB2 ALA 15 1.083 2.891 -3.389 268 HB3 ALA 15 HB3 ALA 15 2.701 2.714 -4.062 269 H ASP 16 HN ASP 16 0.149 2.662 -6.944 270 HA ASP 16 HA ASP 16 -2.323 4.198 -6.797 271 HB2 ASP 16 HB2 ASP 16 -1.430 3.825 -9.022 272 HB3 ASP 16 HB1 ASP 16 -1.311 2.099 -8.733 273 H PHE 17 HN PHE 17 -3.660 3.509 -5.247 274 HA PHE 17 HA PHE 17 -3.979 0.625 -4.835 275 HB2 PHE 17 HB2 PHE 17 -4.665 2.988 -3.094 276 HB3 PHE 17 HB1 PHE 17 -5.148 1.341 -2.739 277 HD1 PHE 17 HD1 PHE 17 -3.627 -0.203 -1.820 278 HD2 PHE 17 HD2 PHE 17 -2.333 3.674 -2.966 279 HE1 PHE 17 HE1 PHE 17 -1.570 -0.524 -0.544 280 HE2 PHE 17 HE2 PHE 17 -0.258 3.358 -1.694 281 HZ PHE 17 HZ PHE 17 0.121 1.254 -0.478 282 HA PRO 18 HA PRO 18 -8.227 1.049 -6.304 283 HB2 PRO 18 HB2 PRO 18 -9.091 -0.766 -4.149 284 HB3 PRO 18 HB1 PRO 18 -9.165 -1.017 -5.896 285 HG2 PRO 18 HG2 PRO 18 -7.451 -2.391 -4.364 286 HG3 PRO 18 HG1 PRO 18 -7.007 -1.854 -5.993 287 HD2 PRO 18 HD2 PRO 18 -6.302 -0.641 -3.345 288 HD3 PRO 18 HD1 PRO 18 -5.271 -0.933 -4.765 289 H TRP 19 HN TRP 19 -10.447 1.538 -5.364 290 HA TRP 19 HA TRP 19 -10.294 3.723 -3.559 291 HB2 TRP 19 HB2 TRP 19 -11.956 3.411 -5.456 292 HB3 TRP 19 HB1 TRP 19 -12.742 2.183 -4.475 293 HD1 TRP 19 HD1 TRP 19 -12.128 5.967 -4.598 294 HE1 TRP 19 HE1 TRP 19 -13.939 7.126 -3.182 295 HE3 TRP 19 3HE TRP 19 -14.377 1.845 -2.617 296 HZ2 TRP 19 HZ2 TRP 19 -16.024 6.392 -1.460 297 HZ3 TRP 19 HZ3 TRP 19 -16.271 2.161 -1.085 298 HH2 TRP 19 2HH TRP 19 -17.076 4.397 -0.522 299 HA PRO 20 HA PRO 20 -11.486 4.725 -2.024 300 HB2 PRO 20 HB2 PRO 20 -11.744 5.435 0.515 301 HB3 PRO 20 HB1 PRO 20 -13.028 4.555 -0.318 302 HG2 PRO 20 HG2 PRO 20 -11.119 3.592 1.737 303 HG3 PRO 20 HG1 PRO 20 -12.752 3.032 1.371 304 HD2 PRO 20 HD2 PRO 20 -10.263 1.915 0.485 305 HD3 PRO 20 HD1 PRO 20 -11.900 1.359 0.101 306 H LEU 21 HN LEU 21 -8.805 3.189 -1.528 307 HA LEU 21 HA LEU 21 -7.281 5.104 -0.007 308 HB2 LEU 21 HB2 LEU 21 -6.361 2.800 -1.713 309 HB3 LEU 21 HB1 LEU 21 -5.345 3.719 -0.621 310 HG LEU 21 HG LEU 21 -7.650 1.941 0.172 311 HD11 LEU 21 HD11 LEU 21 -5.967 0.562 1.176 312 HD12 LEU 21 HD12 LEU 21 -4.698 1.638 0.593 313 HD13 LEU 21 HD13 LEU 21 -5.668 0.701 -0.562 314 HD21 LEU 21 HD21 LEU 21 -5.723 3.509 1.846 315 HD22 LEU 21 HD22 LEU 21 -6.895 2.328 2.442 316 HD23 LEU 21 HD23 LEU 21 -7.449 3.796 1.632 317 H GLY 22 HN GLY 22 -7.326 4.059 -3.415 318 HA2 GLY 22 HA2 GLY 22 -6.920 5.262 -5.338 319 HA3 GLY 22 HA1 GLY 22 -6.968 6.731 -4.369 320 H HIS 23 HN HIS 23 -5.153 7.639 -5.359 321 HA HIS 23 HA HIS 23 -2.654 6.222 -5.324 322 HB2 HIS 23 HB2 HIS 23 -3.317 9.104 -5.940 323 HB3 HIS 23 HB1 HIS 23 -1.674 8.483 -5.936 324 HD1 HIS 23 HD1 HIS 23 -4.809 8.520 -7.951 325 HD2 HIS 23 HD2 HIS 23 -1.035 6.806 -8.080 326 HE1 HIS 23 HE1 HIS 23 -4.491 7.704 -10.315 327 H GLN 24 HN GLN 24 -1.940 5.743 -3.369 328 HA GLN 24 HA GLN 24 -1.883 7.901 -1.433 329 HB2 GLN 24 HB2 GLN 24 -1.580 4.944 -1.041 330 HB3 GLN 24 HB1 GLN 24 -1.149 6.108 0.209 331 HG2 GLN 24 HG2 GLN 24 -3.426 7.025 0.062 332 HG3 GLN 24 HG1 GLN 24 -3.839 5.724 -1.053 333 HE21 GLN 24 1HE2 GLN 24 -4.766 6.487 1.545 334 HE22 GLN 24 2HE2 GLN 24 -4.663 5.082 2.557 335 H CYS 25 HN CYS 25 -0.246 8.918 -0.992 336 HA CYS 25 HA CYS 25 2.243 8.053 -2.247 337 HB2 CYS 25 HB2 CYS 25 1.358 10.836 -1.464 338 HB3 CYS 25 HB1 CYS 25 2.858 10.446 -2.286 339 H PHE 26 HN PHE 26 4.160 8.017 -1.055 340 HA PHE 26 HA PHE 26 3.674 8.090 1.828 341 HB2 PHE 26 HB2 PHE 26 5.447 6.214 0.273 342 HB3 PHE 26 HB1 PHE 26 5.215 6.195 2.013 343 HD1 PHE 26 HD1 PHE 26 2.814 5.795 2.855 344 HD2 PHE 26 HD2 PHE 26 4.093 4.947 -1.112 345 HE1 PHE 26 HE1 PHE 26 0.922 4.257 2.573 346 HE2 PHE 26 HE2 PHE 26 2.200 3.408 -1.396 347 HZ PHE 26 HZ PHE 26 0.610 3.066 0.455 348 HA PRO 27 HA PRO 27 7.000 11.162 1.197 349 HB2 PRO 27 HB2 PRO 27 6.719 12.348 3.645 350 HB3 PRO 27 HB1 PRO 27 5.735 12.771 2.241 351 HG2 PRO 27 HG2 PRO 27 5.079 10.983 4.543 352 HG3 PRO 27 HG1 PRO 27 4.051 12.163 3.711 353 HD2 PRO 27 HD2 PRO 27 3.881 9.514 3.261 354 HD3 PRO 27 HD1 PRO 27 3.568 10.709 1.989 355 H ASP 28 HN ASP 28 6.632 9.103 4.064 356 HA ASP 28 HA ASP 28 9.549 9.280 4.369 357 HB2 ASP 28 HB2 ASP 28 9.360 8.244 6.523 358 HB3 ASP 28 HB1 ASP 28 8.060 9.421 6.443 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 -6.145 -7.730 4.288 2 HA2 GLY 1 HA2 GLY 1 -7.089 -5.820 3.408 3 HA3 GLY 1 HA1 GLY 1 -7.868 -5.515 4.957 4 H PHE 2 HN PHE 2 -6.990 -3.318 4.233 5 HA PHE 2 HA PHE 2 -4.591 -2.756 5.711 6 HB2 PHE 2 HB2 PHE 2 -3.685 -3.414 3.505 7 HB3 PHE 2 HB1 PHE 2 -4.742 -2.257 2.723 8 HD1 PHE 2 HD1 PHE 2 -4.047 -0.049 2.395 9 HD2 PHE 2 HD2 PHE 2 -1.888 -2.556 5.064 10 HE1 PHE 2 HE1 PHE 2 -2.277 1.645 2.543 11 HE2 PHE 2 HE2 PHE 2 -0.114 -0.863 5.220 12 HZ PHE 2 HZ PHE 2 -0.307 1.242 3.959 13 H CYS 3 HN CYS 3 -4.582 -0.518 6.274 14 HA CYS 3 HA CYS 3 -6.629 1.102 5.023 15 HB2 CYS 3 HB2 CYS 3 -7.627 0.041 7.055 16 HB3 CYS 3 HB1 CYS 3 -6.404 0.851 8.031 17 H TRP 4 HN TRP 4 -6.038 3.143 4.722 18 HA TRP 4 HA TRP 4 -3.875 4.334 6.203 19 HB2 TRP 4 HB2 TRP 4 -2.792 2.976 4.349 20 HB3 TRP 4 HB1 TRP 4 -3.681 3.961 3.199 21 HD1 TRP 4 HD1 TRP 4 -2.885 6.573 2.978 22 HE1 TRP 4 HE1 TRP 4 -0.617 7.680 3.465 23 HE3 TRP 4 3HE TRP 4 -0.776 2.887 5.821 24 HZ2 TRP 4 HZ2 TRP 4 1.755 7.073 4.855 25 HZ3 TRP 4 HZ3 TRP 4 1.499 3.225 6.680 26 HH2 TRP 4 2HH TRP 4 2.739 5.276 6.206 27 H HIS 5 HN HIS 5 -4.082 6.528 6.114 28 HA HIS 5 HA HIS 5 -5.032 8.568 5.875 29 HB2 HIS 5 HB2 HIS 5 -4.272 8.077 3.467 30 HB3 HIS 5 HB1 HIS 5 -5.944 7.652 3.128 31 HD1 HIS 5 HD1 HIS 5 -7.091 9.569 1.968 32 HD2 HIS 5 HD2 HIS 5 -4.238 10.849 4.706 33 HE1 HIS 5 HE1 HIS 5 -7.056 12.090 1.833 34 H HIS 6 HN HIS 6 -6.502 6.333 6.962 35 HA HIS 6 HA HIS 6 -8.431 5.801 7.887 36 HB2 HIS 6 HB2 HIS 6 -9.254 8.562 7.018 37 HB3 HIS 6 HB1 HIS 6 -10.344 7.499 7.902 38 HD1 HIS 6 HD1 HIS 6 -10.112 7.514 10.407 39 HD2 HIS 6 HD2 HIS 6 -6.827 9.157 8.485 40 HE1 HIS 6 HE1 HIS 6 -8.665 8.518 12.223 41 H SER 7 HN SER 7 -7.998 5.642 4.838 42 HA SER 7 HA SER 7 -10.685 4.731 4.179 43 HB2 SER 7 HB2 SER 7 -8.211 5.057 2.469 44 HB3 SER 7 HB1 SER 7 -9.851 4.731 1.892 45 HG SER 7 HG SER 7 -10.246 6.799 3.228 46 H CYS 8 HN CYS 8 -10.997 2.536 4.311 47 HA CYS 8 HA CYS 8 -8.579 0.904 4.650 48 HB2 CYS 8 HB2 CYS 8 -11.291 0.358 5.851 49 HB3 CYS 8 HB1 CYS 8 -9.788 -0.473 6.193 50 H VAL 9 HN VAL 9 -8.454 -0.970 3.492 51 HA VAL 9 HA VAL 9 -10.732 -1.607 1.770 52 HB VAL 9 HB VAL 9 -9.140 -2.834 0.289 53 HG11 VAL 9 HG11 VAL 9 -8.493 0.055 0.749 54 HG12 VAL 9 HG12 VAL 9 -9.734 -0.601 -0.323 55 HG13 VAL 9 3HG1 VAL 9 -8.025 -0.857 -0.686 56 HG21 VAL 9 HG21 VAL 9 -6.986 -1.623 2.032 57 HG22 VAL 9 HG22 VAL 9 -6.713 -2.478 0.514 58 HG23 VAL 9 HG23 VAL 9 -7.375 -3.338 1.904 59 HA PRO 10 HA PRO 10 -11.277 -5.232 4.141 60 HB2 PRO 10 HB2 PRO 10 -12.605 -6.801 2.390 61 HB3 PRO 10 HB1 PRO 10 -13.335 -5.383 3.150 62 HG2 PRO 10 HG2 PRO 10 -12.140 -5.658 0.424 63 HG3 PRO 10 HG1 PRO 10 -13.635 -4.843 0.914 64 HD2 PRO 10 HD2 PRO 10 -11.321 -3.508 0.437 65 HD3 PRO 10 HD1 PRO 10 -12.525 -2.958 1.619 66 H SER 11 HN SER 11 -10.915 -7.544 4.210 67 HA SER 11 HA SER 11 -8.336 -8.284 3.489 68 HB2 SER 11 HB2 SER 11 -10.677 -10.032 4.275 69 HB3 SER 11 HB1 SER 11 -8.961 -10.406 4.456 70 HG SER 11 HG SER 11 -9.433 -9.635 6.391 71 H GLY 12 HN GLY 12 -7.598 -9.020 1.573 72 HA2 GLY 12 HA2 GLY 12 -7.843 -10.732 -0.143 73 HA3 GLY 12 HA1 GLY 12 -9.537 -10.278 -0.254 74 H THR 13 HN THR 13 -8.208 -7.420 0.173 75 HA THR 13 HA THR 13 -8.143 -6.878 -2.644 76 HB THR 13 HB THR 13 -7.789 -5.010 -0.275 77 HG1 THR 13 HG1 THR 13 -9.906 -6.227 -0.758 78 HG21 THR 13 HG21 THR 13 -6.849 -4.087 -2.366 79 HG22 THR 13 HG22 THR 13 -8.305 -3.215 -1.888 80 HG23 THR 13 HG23 THR 13 -8.377 -4.404 -3.188 81 H CYS 14 HN CYS 14 -6.345 -6.589 -3.849 82 HA CYS 14 HA CYS 14 -3.775 -6.731 -2.463 83 HB2 CYS 14 HB2 CYS 14 -4.337 -7.545 -5.328 84 HB3 CYS 14 HB1 CYS 14 -2.889 -7.885 -4.396 85 H ALA 15 HN ALA 15 -1.937 -5.545 -3.701 86 HA ALA 15 HA ALA 15 -2.880 -3.376 -5.373 87 HB1 ALA 15 HB1 ALA 15 -3.041 -2.466 -3.100 88 HB2 ALA 15 HB2 ALA 15 -1.762 -1.669 -4.017 89 HB3 ALA 15 HB3 ALA 15 -1.352 -2.888 -2.811 90 H ASP 16 HN ASP 16 -1.241 -2.493 -6.663 91 HA ASP 16 HA ASP 16 1.081 -4.257 -6.846 92 HB2 ASP 16 HB2 ASP 16 -0.417 -3.963 -8.842 93 HB3 ASP 16 HB1 ASP 16 0.106 -2.282 -8.908 94 H PHE 17 HN PHE 17 2.975 -3.557 -6.169 95 HA PHE 17 HA PHE 17 3.453 -0.670 -5.966 96 HB2 PHE 17 HB2 PHE 17 4.493 -2.964 -4.298 97 HB3 PHE 17 HB1 PHE 17 5.020 -1.301 -4.139 98 HD1 PHE 17 HD1 PHE 17 3.595 0.332 -3.108 99 HD2 PHE 17 HD2 PHE 17 2.400 -3.730 -3.440 100 HE1 PHE 17 HE1 PHE 17 1.901 0.702 -1.397 101 HE2 PHE 17 HE2 PHE 17 0.684 -3.370 -1.724 102 HZ PHE 17 HZ PHE 17 0.438 -1.142 -0.695 103 HA PRO 18 HA PRO 18 7.277 -1.721 -8.199 104 HB2 PRO 18 HB2 PRO 18 8.894 0.227 -6.868 105 HB3 PRO 18 HB1 PRO 18 8.111 0.384 -8.440 106 HG2 PRO 18 HG2 PRO 18 7.442 1.842 -6.179 107 HG3 PRO 18 HG1 PRO 18 6.403 1.597 -7.593 108 HD2 PRO 18 HD2 PRO 18 6.342 0.231 -4.940 109 HD3 PRO 18 HD1 PRO 18 5.012 0.691 -6.012 110 H TRP 19 HN TRP 19 9.634 -2.225 -7.747 111 HA TRP 19 HA TRP 19 9.988 -4.172 -5.800 112 HB2 TRP 19 HB2 TRP 19 11.398 -3.829 -7.868 113 HB3 TRP 19 HB1 TRP 19 12.141 -2.447 -7.078 114 HD1 TRP 19 HD1 TRP 19 12.079 -6.254 -7.015 115 HE1 TRP 19 HE1 TRP 19 14.066 -7.100 -5.638 116 HE3 TRP 19 3HE TRP 19 13.754 -1.801 -5.191 117 HZ2 TRP 19 HZ2 TRP 19 16.077 -6.035 -4.004 118 HZ3 TRP 19 HZ3 TRP 19 15.717 -1.800 -3.725 119 HH2 TRP 19 2HH TRP 19 16.858 -3.878 -3.142 120 HA PRO 20 HA PRO 20 11.291 -5.044 -4.419 121 HB2 PRO 20 HB2 PRO 20 11.736 -5.694 -1.823 122 HB3 PRO 20 HB1 PRO 20 12.981 -5.073 -2.904 123 HG2 PRO 20 HG2 PRO 20 11.730 -3.768 -0.618 124 HG3 PRO 20 HG1 PRO 20 13.165 -3.302 -1.533 125 HD2 PRO 20 HD2 PRO 20 10.434 -2.289 -1.757 126 HD3 PRO 20 HD1 PRO 20 11.926 -1.633 -2.451 127 H LEU 21 HN LEU 21 8.791 -3.368 -3.318 128 HA LEU 21 HA LEU 21 7.415 -5.305 -1.718 129 HB2 LEU 21 HB2 LEU 21 6.360 -2.894 -3.203 130 HB3 LEU 21 HB1 LEU 21 5.453 -3.829 -2.032 131 HG LEU 21 HG LEU 21 7.898 -2.151 -1.452 132 HD11 LEU 21 HD11 LEU 21 5.906 -0.805 -1.892 133 HD12 LEU 21 HD12 LEU 21 6.377 -0.780 -0.181 134 HD13 LEU 21 HD13 LEU 21 5.018 -1.772 -0.700 135 HD21 LEU 21 HD21 LEU 21 7.783 -4.061 -0.057 136 HD22 LEU 21 HD22 LEU 21 6.110 -3.696 0.384 137 HD23 LEU 21 HD23 LEU 21 7.420 -2.611 0.874 138 H GLY 22 HN GLY 22 7.140 -4.109 -5.017 139 HA2 GLY 22 HA2 GLY 22 6.369 -5.114 -6.936 140 HA3 GLY 22 HA1 GLY 22 6.532 -6.667 -6.114 141 H HIS 23 HN HIS 23 4.505 -7.388 -6.938 142 HA HIS 23 HA HIS 23 2.210 -5.864 -6.130 143 HB2 HIS 23 HB2 HIS 23 2.364 -7.341 -8.235 144 HB3 HIS 23 HB1 HIS 23 2.174 -8.710 -7.142 145 HD1 HIS 23 HD1 HIS 23 0.331 -5.955 -8.778 146 HD2 HIS 23 HD2 HIS 23 -0.395 -8.900 -5.943 147 HE1 HIS 23 HE1 HIS 23 -2.188 -6.087 -8.531 148 H GLN 24 HN GLN 24 1.346 -5.992 -4.208 149 HA GLN 24 HA GLN 24 1.904 -8.351 -2.577 150 HB2 GLN 24 HB2 GLN 24 1.798 -5.451 -1.748 151 HB3 GLN 24 HB1 GLN 24 1.678 -6.773 -0.599 152 HG2 GLN 24 HG2 GLN 24 3.881 -7.559 -1.262 153 HG3 GLN 24 HG1 GLN 24 4.006 -6.247 -2.433 154 HE21 GLN 24 1HE2 GLN 24 5.648 -6.930 -0.090 155 HE22 GLN 24 2HE2 GLN 24 5.637 -5.523 0.903 156 H CYS 25 HN CYS 25 0.240 -8.648 -0.901 157 HA CYS 25 HA CYS 25 -2.265 -7.505 -1.731 158 HB2 CYS 25 HB2 CYS 25 -1.996 -9.703 -2.901 159 HB3 CYS 25 HB1 CYS 25 -1.982 -10.484 -1.319 160 H PHE 26 HN PHE 26 -3.920 -7.580 -0.095 161 HA PHE 26 HA PHE 26 -2.671 -7.750 2.527 162 HB2 PHE 26 HB2 PHE 26 -5.021 -6.069 1.648 163 HB3 PHE 26 HB1 PHE 26 -4.220 -6.013 3.217 164 HD1 PHE 26 HD1 PHE 26 -1.655 -5.512 3.137 165 HD2 PHE 26 HD2 PHE 26 -4.382 -4.566 0.015 166 HE1 PHE 26 HE1 PHE 26 -0.080 -3.838 2.273 167 HE2 PHE 26 HE2 PHE 26 -2.811 -2.890 -0.851 168 HZ PHE 26 HZ PHE 26 -0.652 -2.530 0.281 169 HA PRO 27 HA PRO 27 -5.634 -11.175 2.654 170 HB2 PRO 27 HB2 PRO 27 -4.482 -12.477 4.729 171 HB3 PRO 27 HB1 PRO 27 -3.848 -12.570 3.083 172 HG2 PRO 27 HG2 PRO 27 -2.924 -10.885 5.373 173 HG3 PRO 27 HG1 PRO 27 -1.957 -11.793 4.200 174 HD2 PRO 27 HD2 PRO 27 -2.366 -9.121 4.030 175 HD3 PRO 27 HD1 PRO 27 -2.133 -10.144 2.601 176 H ASP 28 HN ASP 28 -4.709 -8.965 5.159 177 HA ASP 28 HA ASP 28 -7.216 -9.561 6.606 178 HB2 ASP 28 HB2 ASP 28 -4.790 -8.067 7.639 179 HB3 ASP 28 HB1 ASP 28 -6.236 -8.461 8.552 180 H1 GLY 1 HN GLY 1 7.669 7.574 2.656 181 HA2 GLY 1 HA2 GLY 1 8.559 5.713 1.494 182 HA3 GLY 1 HA1 GLY 1 9.627 5.407 2.867 183 H PHE 2 HN PHE 2 8.514 3.201 2.319 184 HA PHE 2 HA PHE 2 6.418 2.829 4.267 185 HB2 PHE 2 HB2 PHE 2 5.162 3.481 2.253 186 HB3 PHE 2 HB1 PHE 2 5.972 2.230 1.333 187 HD1 PHE 2 HD1 PHE 2 4.862 0.246 1.005 188 HD2 PHE 2 HD2 PHE 2 3.863 2.625 4.385 189 HE1 PHE 2 HE1 PHE 2 3.043 -1.307 1.551 190 HE2 PHE 2 HE2 PHE 2 2.041 1.071 4.942 191 HZ PHE 2 HZ PHE 2 1.629 -0.897 3.522 192 H CYS 3 HN CYS 3 6.393 0.749 5.023 193 HA CYS 3 HA CYS 3 8.165 -1.182 3.734 194 HB2 CYS 3 HB2 CYS 3 7.954 -0.551 6.686 195 HB3 CYS 3 HB1 CYS 3 8.798 -1.943 6.025 196 H TRP 4 HN TRP 4 7.167 -3.046 3.381 197 HA TRP 4 HA TRP 4 5.128 -3.963 5.198 198 HB2 TRP 4 HB2 TRP 4 3.889 -2.590 3.512 199 HB3 TRP 4 HB1 TRP 4 4.518 -3.632 2.245 200 HD1 TRP 4 HD1 TRP 4 3.341 -6.015 1.942 201 HE1 TRP 4 HE1 TRP 4 1.199 -7.046 2.891 202 HE3 TRP 4 3HE TRP 4 2.421 -2.622 5.644 203 HZ2 TRP 4 HZ2 TRP 4 -0.660 -6.478 4.960 204 HZ3 TRP 4 HZ3 TRP 4 0.437 -2.940 7.058 205 HH2 TRP 4 2HH TRP 4 -1.063 -4.821 6.721 206 H HIS 5 HN HIS 5 5.306 -6.092 5.404 207 HA HIS 5 HA HIS 5 5.883 -8.276 5.094 208 HB2 HIS 5 HB2 HIS 5 4.528 -7.849 2.975 209 HB3 HIS 5 HB1 HIS 5 6.050 -7.581 2.145 210 HD1 HIS 5 HD1 HIS 5 6.778 -9.581 0.895 211 HD2 HIS 5 HD2 HIS 5 4.549 -10.566 4.246 212 HE1 HIS 5 HE1 HIS 5 6.502 -12.083 0.828 213 H HIS 6 HN HIS 6 7.818 -6.269 5.628 214 HA HIS 6 HA HIS 6 9.987 -6.030 6.054 215 HB2 HIS 6 HB2 HIS 6 10.235 -8.852 5.003 216 HB3 HIS 6 HB1 HIS 6 11.575 -7.954 5.707 217 HD1 HIS 6 HD1 HIS 6 11.464 -7.518 8.315 218 HD2 HIS 6 HD2 HIS 6 8.381 -9.827 6.756 219 HE1 HIS 6 HE1 HIS 6 10.328 -8.594 10.293 220 H SER 7 HN SER 7 8.841 -5.381 3.366 221 HA SER 7 HA SER 7 11.426 -5.001 2.077 222 HB2 SER 7 HB2 SER 7 8.659 -5.368 0.942 223 HB3 SER 7 HB1 SER 7 10.072 -4.960 -0.060 224 HG SER 7 HG SER 7 10.452 -7.127 1.555 225 H CYS 8 HN CYS 8 11.896 -2.787 1.644 226 HA CYS 8 HA CYS 8 9.785 -0.908 2.421 227 HB2 CYS 8 HB2 CYS 8 12.732 -0.768 3.025 228 HB3 CYS 8 HB1 CYS 8 11.587 0.532 3.319 229 H VAL 9 HN VAL 9 9.504 0.858 1.228 230 HA VAL 9 HA VAL 9 11.270 1.217 -1.065 231 HB VAL 9 HB VAL 9 9.373 2.521 -2.134 232 HG11 VAL 9 HG11 VAL 9 8.846 -0.358 -1.462 233 HG12 VAL 9 HG12 VAL 9 9.821 0.242 -2.803 234 HG13 VAL 9 3HG1 VAL 9 8.079 0.527 -2.779 235 HG21 VAL 9 HG21 VAL 9 7.094 2.165 -1.269 236 HG22 VAL 9 HG22 VAL 9 8.097 3.045 -0.116 237 HG23 VAL 9 HG23 VAL 9 7.768 1.332 0.133 238 HA PRO 10 HA PRO 10 12.615 5.033 0.712 239 HB2 PRO 10 HB2 PRO 10 12.890 6.138 -2.002 240 HB3 PRO 10 HB1 PRO 10 14.137 5.816 -0.794 241 HG2 PRO 10 HG2 PRO 10 13.923 4.310 -2.980 242 HG3 PRO 10 HG1 PRO 10 14.353 3.606 -1.414 243 HD2 PRO 10 HD2 PRO 10 11.704 3.630 -2.810 244 HD3 PRO 10 HD1 PRO 10 12.544 2.291 -1.991 245 H SER 11 HN SER 11 12.282 7.374 0.717 246 HA SER 11 HA SER 11 9.583 8.075 0.826 247 HB2 SER 11 HB2 SER 11 10.624 10.377 1.183 248 HB3 SER 11 HB1 SER 11 11.079 9.114 2.323 249 HG SER 11 HG SER 11 12.545 10.130 0.132 250 H GLY 12 HN GLY 12 8.291 8.879 -0.710 251 HA2 GLY 12 HA2 GLY 12 8.023 10.449 -2.547 252 HA3 GLY 12 HA1 GLY 12 9.587 9.902 -3.145 253 H THR 13 HN THR 13 8.395 7.148 -2.127 254 HA THR 13 HA THR 13 7.492 6.347 -4.709 255 HB THR 13 HB THR 13 7.263 4.850 -2.072 256 HG1 THR 13 HG1 THR 13 9.411 5.199 -2.346 257 HG21 THR 13 HG21 THR 13 7.300 3.871 -4.938 258 HG22 THR 13 HG22 THR 13 5.887 3.911 -3.885 259 HG23 THR 13 HG23 THR 13 7.239 2.843 -3.507 260 H CYS 14 HN CYS 14 5.488 6.707 -5.448 261 HA CYS 14 HA CYS 14 3.343 7.048 -3.507 262 HB2 CYS 14 HB2 CYS 14 3.340 7.900 -6.410 263 HB3 CYS 14 HB1 CYS 14 2.173 8.347 -5.180 264 H ALA 15 HN ALA 15 1.584 5.634 -3.610 265 HA ALA 15 HA ALA 15 1.865 3.554 -5.643 266 HB1 ALA 15 HB1 ALA 15 1.247 1.893 -4.000 267 HB2 ALA 15 HB2 ALA 15 1.108 3.142 -2.765 268 HB3 ALA 15 HB3 ALA 15 2.682 2.775 -3.474 269 H ASP 16 HN ASP 16 0.089 2.748 -6.504 270 HA ASP 16 HA ASP 16 -2.374 4.238 -6.095 271 HB2 ASP 16 HB2 ASP 16 -1.604 4.111 -8.385 272 HB3 ASP 16 HB1 ASP 16 -1.475 2.362 -8.279 273 H PHE 17 HN PHE 17 -3.605 3.404 -4.573 274 HA PHE 17 HA PHE 17 -3.835 0.513 -4.381 275 HB2 PHE 17 HB2 PHE 17 -4.746 2.743 -2.568 276 HB3 PHE 17 HB1 PHE 17 -5.110 1.046 -2.302 277 HD1 PHE 17 HD1 PHE 17 -3.536 -0.395 -1.346 278 HD2 PHE 17 HD2 PHE 17 -2.444 3.585 -2.352 279 HE1 PHE 17 HE1 PHE 17 -1.520 -0.624 -0.005 280 HE2 PHE 17 HE2 PHE 17 -0.399 3.368 -1.011 281 HZ PHE 17 HZ PHE 17 0.068 1.249 0.174 282 HA PRO 18 HA PRO 18 -7.877 0.785 -6.245 283 HB2 PRO 18 HB2 PRO 18 -8.851 -1.225 -4.316 284 HB3 PRO 18 HB1 PRO 18 -8.722 -1.341 -6.072 285 HG2 PRO 18 HG2 PRO 18 -7.079 -2.716 -4.472 286 HG3 PRO 18 HG1 PRO 18 -6.512 -2.017 -6.000 287 HD2 PRO 18 HD2 PRO 18 -6.171 -0.985 -3.209 288 HD3 PRO 18 HD1 PRO 18 -4.982 -1.089 -4.522 289 H TRP 19 HN TRP 19 -10.197 1.068 -5.610 290 HA TRP 19 HA TRP 19 -10.474 3.100 -3.649 291 HB2 TRP 19 HB2 TRP 19 -11.845 2.909 -5.759 292 HB3 TRP 19 HB1 TRP 19 -12.627 1.490 -5.082 293 HD1 TRP 19 HD1 TRP 19 -12.516 5.294 -4.759 294 HE1 TRP 19 HE1 TRP 19 -14.563 6.082 -3.431 295 HE3 TRP 19 3HE TRP 19 -14.324 0.751 -3.362 296 HZ2 TRP 19 HZ2 TRP 19 -16.703 4.896 -1.986 297 HZ3 TRP 19 HZ3 TRP 19 -16.368 0.651 -2.021 298 HH2 TRP 19 2HH TRP 19 -17.533 2.679 -1.344 299 HA PRO 20 HA PRO 20 -11.877 3.874 -2.238 300 HB2 PRO 20 HB2 PRO 20 -12.332 4.196 0.487 301 HB3 PRO 20 HB1 PRO 20 -13.563 3.915 -0.742 302 HG2 PRO 20 HG2 PRO 20 -12.823 2.153 1.358 303 HG3 PRO 20 HG1 PRO 20 -13.909 1.805 0.007 304 HD2 PRO 20 HD2 PRO 20 -11.026 1.150 0.347 305 HD3 PRO 20 HD1 PRO 20 -12.296 0.251 -0.512 306 H LEU 21 HN LEU 21 -9.290 2.256 -1.257 307 HA LEU 21 HA LEU 21 -7.983 3.839 0.712 308 HB2 LEU 21 HB2 LEU 21 -7.494 1.439 -0.327 309 HB3 LEU 21 HB1 LEU 21 -6.512 2.359 -1.428 310 HG LEU 21 HG LEU 21 -5.058 1.482 0.187 311 HD11 LEU 21 HD11 LEU 21 -5.499 4.325 1.010 312 HD12 LEU 21 HD12 LEU 21 -4.532 3.758 -0.349 313 HD13 LEU 21 HD13 LEU 21 -4.050 3.355 1.297 314 HD21 LEU 21 HD21 LEU 21 -6.908 2.506 2.315 315 HD22 LEU 21 HD22 LEU 21 -5.332 1.777 2.603 316 HD23 LEU 21 HD23 LEU 21 -6.623 0.823 1.871 317 H GLY 22 HN GLY 22 -7.568 3.607 -2.817 318 HA2 GLY 22 HA2 GLY 22 -7.391 5.345 -4.344 319 HA3 GLY 22 HA1 GLY 22 -7.273 6.480 -3.009 320 H HIS 23 HN HIS 23 -5.643 7.132 -4.774 321 HA HIS 23 HA HIS 23 -3.114 5.783 -4.685 322 HB2 HIS 23 HB2 HIS 23 -3.847 6.971 -6.724 323 HB3 HIS 23 HB1 HIS 23 -3.908 8.481 -5.828 324 HD1 HIS 23 HD1 HIS 23 -1.785 9.853 -5.847 325 HD2 HIS 23 HD2 HIS 23 -1.161 5.909 -6.970 326 HE1 HIS 23 HE1 HIS 23 0.611 9.710 -6.588 327 H GLN 24 HN GLN 24 -1.692 6.038 -3.111 328 HA GLN 24 HA GLN 24 -1.776 8.504 -1.514 329 HB2 GLN 24 HB2 GLN 24 -1.239 5.702 -0.502 330 HB3 GLN 24 HB1 GLN 24 -1.149 7.169 0.456 331 HG2 GLN 24 HG2 GLN 24 -3.617 6.022 -0.822 332 HG3 GLN 24 HG1 GLN 24 -3.209 5.970 0.890 333 HE21 GLN 24 1HE2 GLN 24 -5.497 7.104 -0.480 334 HE22 GLN 24 2HE2 GLN 24 -5.557 8.768 -0.029 335 H CYS 25 HN CYS 25 0.238 9.303 -0.956 336 HA CYS 25 HA CYS 25 2.396 7.790 -2.166 337 HB2 CYS 25 HB2 CYS 25 1.905 9.978 -3.320 338 HB3 CYS 25 HB1 CYS 25 2.393 10.792 -1.834 339 H PHE 26 HN PHE 26 4.421 7.745 -1.096 340 HA PHE 26 HA PHE 26 4.022 8.057 1.783 341 HB2 PHE 26 HB2 PHE 26 5.808 6.139 0.288 342 HB3 PHE 26 HB1 PHE 26 5.621 6.204 2.034 343 HD1 PHE 26 HD1 PHE 26 3.199 5.901 2.925 344 HD2 PHE 26 HD2 PHE 26 4.477 4.723 -0.957 345 HE1 PHE 26 HE1 PHE 26 1.300 4.351 2.772 346 HE2 PHE 26 HE2 PHE 26 2.583 3.171 -1.115 347 HZ PHE 26 HZ PHE 26 0.986 2.988 0.756 348 HA PRO 27 HA PRO 27 7.287 11.172 0.986 349 HB2 PRO 27 HB2 PRO 27 6.392 12.246 3.562 350 HB3 PRO 27 HB1 PRO 27 6.421 13.024 1.979 351 HG2 PRO 27 HG2 PRO 27 4.106 12.327 3.154 352 HG3 PRO 27 HG1 PRO 27 4.332 12.226 1.398 353 HD2 PRO 27 HD2 PRO 27 4.476 10.044 3.448 354 HD3 PRO 27 HD1 PRO 27 3.660 10.061 1.866 355 H ASP 28 HN ASP 28 6.728 9.054 3.650 356 HA ASP 28 HA ASP 28 9.462 9.535 4.641 357 HB2 ASP 28 HB2 ASP 28 7.263 7.884 5.924 358 HB3 ASP 28 HB1 ASP 28 8.853 8.170 6.590 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 -6.251 -7.745 4.056 2 HA2 GLY 1 HA2 GLY 1 -7.236 -5.875 3.069 3 HA3 GLY 1 HA1 GLY 1 -7.947 -5.457 4.622 4 H PHE 2 HN PHE 2 -7.049 -3.326 3.739 5 HA PHE 2 HA PHE 2 -4.477 -2.928 5.025 6 HB2 PHE 2 HB2 PHE 2 -3.849 -3.405 2.714 7 HB3 PHE 2 HB1 PHE 2 -4.970 -2.193 2.128 8 HD1 PHE 2 HD1 PHE 2 -4.113 -0.140 1.549 9 HD2 PHE 2 HD2 PHE 2 -2.050 -2.492 4.432 10 HE1 PHE 2 HE1 PHE 2 -2.311 1.527 1.613 11 HE2 PHE 2 HE2 PHE 2 -0.247 -0.827 4.505 12 HZ PHE 2 HZ PHE 2 -0.374 1.187 3.093 13 H CYS 3 HN CYS 3 -4.362 -1.031 6.028 14 HA CYS 3 HA CYS 3 -6.449 0.925 5.481 15 HB2 CYS 3 HB2 CYS 3 -5.332 0.017 8.132 16 HB3 CYS 3 HB1 CYS 3 -6.300 1.470 7.941 17 H TRP 4 HN TRP 4 -5.791 2.929 5.216 18 HA TRP 4 HA TRP 4 -3.314 3.866 6.220 19 HB2 TRP 4 HB2 TRP 4 -2.636 2.603 4.169 20 HB3 TRP 4 HB1 TRP 4 -3.641 3.686 3.219 21 HD1 TRP 4 HD1 TRP 4 -2.659 6.133 2.750 22 HE1 TRP 4 HE1 TRP 4 -0.338 7.175 3.104 23 HE3 TRP 4 3HE TRP 4 -0.635 2.564 5.777 24 HZ2 TRP 4 HZ2 TRP 4 2.034 6.566 4.489 25 HZ3 TRP 4 HZ3 TRP 4 1.664 2.870 6.578 26 HH2 TRP 4 2HH TRP 4 2.967 4.827 5.950 27 H HIS 5 HN HIS 5 -3.648 5.844 6.694 28 HA HIS 5 HA HIS 5 -4.516 7.872 6.986 29 HB2 HIS 5 HB2 HIS 5 -3.269 8.150 4.818 30 HB3 HIS 5 HB1 HIS 5 -4.791 7.918 3.969 31 HD1 HIS 5 HD1 HIS 5 -6.072 10.040 3.495 32 HD2 HIS 5 HD2 HIS 5 -3.352 10.474 6.596 33 HE1 HIS 5 HE1 HIS 5 -6.097 12.478 4.110 34 H HIS 6 HN HIS 6 -6.296 6.416 7.846 35 HA HIS 6 HA HIS 6 -8.427 6.355 8.563 36 HB2 HIS 6 HB2 HIS 6 -9.020 8.662 6.679 37 HB3 HIS 6 HB1 HIS 6 -10.000 8.149 8.041 38 HD1 HIS 6 HD1 HIS 6 -9.202 8.966 10.431 39 HD2 HIS 6 HD2 HIS 6 -6.776 10.164 7.275 40 HE1 HIS 6 HE1 HIS 6 -7.665 10.733 11.356 41 H SER 7 HN SER 7 -7.515 5.333 5.701 42 HA SER 7 HA SER 7 -10.211 4.646 4.747 43 HB2 SER 7 HB2 SER 7 -7.698 4.983 3.117 44 HB3 SER 7 HB1 SER 7 -9.345 4.773 2.509 45 HG SER 7 HG SER 7 -8.323 6.935 4.008 46 H CYS 8 HN CYS 8 -10.532 2.452 4.177 47 HA CYS 8 HA CYS 8 -8.216 0.691 4.407 48 HB2 CYS 8 HB2 CYS 8 -10.883 0.249 5.772 49 HB3 CYS 8 HB1 CYS 8 -9.586 -0.931 5.685 50 H VAL 9 HN VAL 9 -8.291 -1.102 3.138 51 HA VAL 9 HA VAL 9 -10.583 -1.324 1.324 52 HB VAL 9 HB VAL 9 -9.059 -2.510 -0.283 53 HG11 VAL 9 HG11 VAL 9 -8.162 0.228 0.535 54 HG12 VAL 9 HG12 VAL 9 -9.489 -0.142 -0.571 55 HG13 VAL 9 3HG1 VAL 9 -7.823 -0.521 -1.023 56 HG21 VAL 9 HG21 VAL 9 -6.621 -2.353 0.033 57 HG22 VAL 9 HG22 VAL 9 -7.386 -3.318 1.300 58 HG23 VAL 9 HG23 VAL 9 -6.895 -1.656 1.631 59 HA PRO 10 HA PRO 10 -11.726 -5.209 2.997 60 HB2 PRO 10 HB2 PRO 10 -11.884 -6.320 0.254 61 HB3 PRO 10 HB1 PRO 10 -13.138 -6.204 1.490 62 HG2 PRO 10 HG2 PRO 10 -13.180 -4.585 -0.603 63 HG3 PRO 10 HG1 PRO 10 -13.587 -3.985 1.015 64 HD2 PRO 10 HD2 PRO 10 -11.047 -3.666 -0.536 65 HD3 PRO 10 HD1 PRO 10 -11.942 -2.479 0.440 66 H SER 11 HN SER 11 -11.159 -7.343 3.379 67 HA SER 11 HA SER 11 -8.433 -8.110 3.114 68 HB2 SER 11 HB2 SER 11 -10.880 -9.736 3.844 69 HB3 SER 11 HB1 SER 11 -9.202 -10.069 4.287 70 HG SER 11 HG SER 11 -10.681 -8.936 5.874 71 H GLY 12 HN GLY 12 -7.527 -9.021 1.389 72 HA2 GLY 12 HA2 GLY 12 -7.626 -10.851 -0.185 73 HA3 GLY 12 HA1 GLY 12 -9.306 -10.419 -0.489 74 H THR 13 HN THR 13 -8.005 -7.540 -0.153 75 HA THR 13 HA THR 13 -7.926 -6.939 -2.909 76 HB THR 13 HB THR 13 -6.888 -5.346 -0.550 77 HG1 THR 13 HG1 THR 13 -8.984 -5.533 -0.192 78 HG21 THR 13 HG21 THR 13 -6.019 -4.514 -2.703 79 HG22 THR 13 HG22 THR 13 -7.182 -3.386 -2.004 80 HG23 THR 13 HG23 THR 13 -7.666 -4.442 -3.329 81 H CYS 14 HN CYS 14 -6.293 -7.359 -4.272 82 HA CYS 14 HA CYS 14 -3.614 -7.622 -3.162 83 HB2 CYS 14 HB2 CYS 14 -4.686 -8.646 -5.808 84 HB3 CYS 14 HB1 CYS 14 -3.075 -8.936 -5.174 85 H ALA 15 HN ALA 15 -1.908 -6.351 -4.071 86 HA ALA 15 HA ALA 15 -2.630 -4.475 -6.160 87 HB1 ALA 15 HB1 ALA 15 -1.977 -2.524 -4.846 88 HB2 ALA 15 HB2 ALA 15 -1.716 -3.548 -3.435 89 HB3 ALA 15 HB3 ALA 15 -3.341 -3.350 -4.091 90 H ASP 16 HN ASP 16 -0.858 -3.594 -7.182 91 HA ASP 16 HA ASP 16 1.605 -4.982 -6.526 92 HB2 ASP 16 HB2 ASP 16 2.411 -4.584 -8.780 93 HB3 ASP 16 HB1 ASP 16 0.830 -5.334 -8.846 94 H PHE 17 HN PHE 17 3.361 -4.066 -5.986 95 HA PHE 17 HA PHE 17 3.477 -1.144 -5.766 96 HB2 PHE 17 HB2 PHE 17 4.611 -3.361 -4.056 97 HB3 PHE 17 HB1 PHE 17 5.139 -1.699 -3.930 98 HD1 PHE 17 HD1 PHE 17 3.968 -0.168 -2.641 99 HD2 PHE 17 HD2 PHE 17 2.243 -3.970 -3.473 100 HE1 PHE 17 HE1 PHE 17 2.267 0.238 -0.931 101 HE2 PHE 17 HE2 PHE 17 0.534 -3.567 -1.763 102 HZ PHE 17 HZ PHE 17 0.554 -1.443 -0.482 103 HA PRO 18 HA PRO 18 7.415 -1.747 -7.940 104 HB2 PRO 18 HB2 PRO 18 8.681 0.305 -6.268 105 HB3 PRO 18 HB1 PRO 18 8.309 0.370 -7.990 106 HG2 PRO 18 HG2 PRO 18 7.001 1.881 -6.185 107 HG3 PRO 18 HG1 PRO 18 6.209 1.250 -7.639 108 HD2 PRO 18 HD2 PRO 18 6.112 0.214 -4.831 109 HD3 PRO 18 HD1 PRO 18 4.792 0.416 -6.006 110 H TRP 19 HN TRP 19 9.740 -2.171 -7.380 111 HA TRP 19 HA TRP 19 10.210 -4.038 -5.346 112 HB2 TRP 19 HB2 TRP 19 11.707 -4.045 -7.187 113 HB3 TRP 19 HB1 TRP 19 11.984 -2.316 -7.076 114 HD1 TRP 19 HD1 TRP 19 13.411 -1.555 -5.130 115 HE1 TRP 19 HE1 TRP 19 15.552 -2.562 -3.975 116 HE3 TRP 19 3HE TRP 19 12.692 -6.320 -6.403 117 HZ2 TRP 19 HZ2 TRP 19 16.666 -5.117 -3.667 118 HZ3 TRP 19 HZ3 TRP 19 14.271 -8.012 -5.615 119 HH2 TRP 19 2HH TRP 19 16.216 -7.437 -4.297 120 HA PRO 20 HA PRO 20 11.757 -4.711 -4.139 121 HB2 PRO 20 HB2 PRO 20 11.737 -5.130 -1.232 122 HB3 PRO 20 HB1 PRO 20 13.051 -5.364 -2.391 123 HG2 PRO 20 HG2 PRO 20 13.138 -3.340 -0.704 124 HG3 PRO 20 HG1 PRO 20 13.598 -3.196 -2.429 125 HD2 PRO 20 HD2 PRO 20 10.911 -2.474 -1.202 126 HD3 PRO 20 HD1 PRO 20 11.997 -1.408 -2.134 127 H LEU 21 HN LEU 21 8.876 -3.543 -3.152 128 HA LEU 21 HA LEU 21 7.776 -5.839 -1.830 129 HB2 LEU 21 HB2 LEU 21 6.541 -3.291 -2.796 130 HB3 LEU 21 HB1 LEU 21 5.526 -4.639 -2.349 131 HG LEU 21 HG LEU 21 5.620 -3.107 -0.532 132 HD11 LEU 21 HD11 LEU 21 7.300 -5.512 0.098 133 HD12 LEU 21 HD12 LEU 21 5.542 -5.432 0.050 134 HD13 LEU 21 HD13 LEU 21 6.432 -4.511 1.260 135 HD21 LEU 21 HD21 LEU 21 7.689 -2.496 0.614 136 HD22 LEU 21 HD22 LEU 21 7.685 -1.975 -1.075 137 HD23 LEU 21 HD23 LEU 21 8.621 -3.391 -0.594 138 H GLY 22 HN GLY 22 7.171 -4.400 -5.005 139 HA2 GLY 22 HA2 GLY 22 6.550 -5.442 -6.968 140 HA3 GLY 22 HA1 GLY 22 6.878 -6.996 -6.197 141 H HIS 23 HN HIS 23 4.935 -7.889 -7.048 142 HA HIS 23 HA HIS 23 2.437 -6.692 -6.313 143 HB2 HIS 23 HB2 HIS 23 2.552 -8.032 -8.371 144 HB3 HIS 23 HB1 HIS 23 2.995 -9.455 -7.435 145 HD1 HIS 23 HD1 HIS 23 1.033 -10.982 -6.947 146 HD2 HIS 23 HD2 HIS 23 -0.124 -7.027 -7.494 147 HE1 HIS 23 HE1 HIS 23 -1.458 -10.955 -6.729 148 H GLN 24 HN GLN 24 1.418 -6.863 -4.460 149 HA GLN 24 HA GLN 24 1.960 -9.170 -2.749 150 HB2 GLN 24 HB2 GLN 24 1.829 -6.264 -1.897 151 HB3 GLN 24 HB1 GLN 24 1.814 -7.621 -0.784 152 HG2 GLN 24 HG2 GLN 24 4.063 -6.910 -2.665 153 HG3 GLN 24 HG1 GLN 24 4.021 -6.590 -0.932 154 HE21 GLN 24 1HE2 GLN 24 5.901 -8.202 -2.515 155 HE22 GLN 24 2HE2 GLN 24 5.854 -9.778 -1.801 156 H CYS 25 HN CYS 25 0.153 -9.355 -1.066 157 HA CYS 25 HA CYS 25 -2.242 -8.071 -2.001 158 HB2 CYS 25 HB2 CYS 25 -2.071 -10.363 -3.052 159 HB3 CYS 25 HB1 CYS 25 -2.117 -11.049 -1.436 160 H PHE 26 HN PHE 26 -3.921 -8.012 -0.373 161 HA PHE 26 HA PHE 26 -2.707 -7.951 2.291 162 HB2 PHE 26 HB2 PHE 26 -5.072 -6.402 1.225 163 HB3 PHE 26 HB1 PHE 26 -4.326 -6.190 2.799 164 HD1 PHE 26 HD1 PHE 26 -1.738 -5.637 2.694 165 HD2 PHE 26 HD2 PHE 26 -4.510 -4.971 -0.458 166 HE1 PHE 26 HE1 PHE 26 -0.242 -3.938 1.737 167 HE2 PHE 26 HE2 PHE 26 -3.022 -3.278 -1.419 168 HZ PHE 26 HZ PHE 26 -0.888 -2.761 -0.323 169 HA PRO 27 HA PRO 27 -5.739 -11.371 2.649 170 HB2 PRO 27 HB2 PRO 27 -4.323 -11.952 5.142 171 HB3 PRO 27 HB1 PRO 27 -4.531 -12.982 3.725 172 HG2 PRO 27 HG2 PRO 27 -2.157 -11.882 4.418 173 HG3 PRO 27 HG1 PRO 27 -2.603 -12.226 2.744 174 HD2 PRO 27 HD2 PRO 27 -2.558 -9.641 4.210 175 HD3 PRO 27 HD1 PRO 27 -2.169 -9.982 2.512 176 H ASP 28 HN ASP 28 -4.828 -9.060 5.117 177 HA ASP 28 HA ASP 28 -7.494 -9.447 6.316 178 HB2 ASP 28 HB2 ASP 28 -6.664 -8.565 8.400 179 HB3 ASP 28 HB1 ASP 28 -5.558 -9.822 7.872 180 H1 GLY 1 HN GLY 1 7.843 7.734 2.195 181 HA2 GLY 1 HA2 GLY 1 8.495 5.684 1.360 182 HA3 GLY 1 HA1 GLY 1 9.475 5.446 2.807 183 H PHE 2 HN PHE 2 8.418 3.236 2.421 184 HA PHE 2 HA PHE 2 6.224 2.988 4.269 185 HB2 PHE 2 HB2 PHE 2 5.000 3.471 2.223 186 HB3 PHE 2 HB1 PHE 2 5.899 2.246 1.351 187 HD1 PHE 2 HD1 PHE 2 4.899 0.208 1.020 188 HD2 PHE 2 HD2 PHE 2 3.691 2.580 4.342 189 HE1 PHE 2 HE1 PHE 2 3.148 -1.425 1.546 190 HE2 PHE 2 HE2 PHE 2 1.938 0.940 4.874 191 HZ PHE 2 HZ PHE 2 1.667 -1.064 3.471 192 H CYS 3 HN CYS 3 6.431 1.130 5.355 193 HA CYS 3 HA CYS 3 8.212 -0.912 4.256 194 HB2 CYS 3 HB2 CYS 3 7.659 -0.153 7.129 195 HB3 CYS 3 HB1 CYS 3 8.621 -1.538 6.627 196 H TRP 4 HN TRP 4 7.356 -2.816 3.898 197 HA TRP 4 HA TRP 4 5.131 -3.786 5.439 198 HB2 TRP 4 HB2 TRP 4 3.978 -2.548 3.675 199 HB3 TRP 4 HB1 TRP 4 4.938 -3.334 2.439 200 HD1 TRP 4 HD1 TRP 4 4.215 -5.862 1.780 201 HE1 TRP 4 HE1 TRP 4 2.069 -7.222 2.212 202 HE3 TRP 4 3HE TRP 4 2.063 -2.907 5.364 203 HZ2 TRP 4 HZ2 TRP 4 -0.215 -7.069 3.829 204 HZ3 TRP 4 HZ3 TRP 4 -0.116 -3.594 6.292 205 HH2 TRP 4 2HH TRP 4 -1.224 -5.623 5.538 206 H HIS 5 HN HIS 5 5.397 -5.887 5.712 207 HA HIS 5 HA HIS 5 6.143 -8.024 5.574 208 HB2 HIS 5 HB2 HIS 5 4.887 -7.755 3.344 209 HB3 HIS 5 HB1 HIS 5 6.459 -7.541 2.594 210 HD1 HIS 5 HD1 HIS 5 6.196 -9.753 1.174 211 HD2 HIS 5 HD2 HIS 5 5.957 -10.290 5.290 212 HE1 HIS 5 HE1 HIS 5 6.283 -12.225 1.564 213 H HIS 6 HN HIS 6 7.992 -5.999 6.175 214 HA HIS 6 HA HIS 6 10.100 -5.821 6.791 215 HB2 HIS 6 HB2 HIS 6 10.540 -8.463 5.385 216 HB3 HIS 6 HB1 HIS 6 11.837 -7.583 6.178 217 HD1 HIS 6 HD1 HIS 6 12.069 -7.923 8.679 218 HD2 HIS 6 HD2 HIS 6 8.491 -9.400 7.171 219 HE1 HIS 6 HE1 HIS 6 11.008 -9.240 10.556 220 H SER 7 HN SER 7 9.037 -5.265 3.853 221 HA SER 7 HA SER 7 11.679 -4.428 2.879 222 HB2 SER 7 HB2 SER 7 9.151 -4.992 1.318 223 HB3 SER 7 HB1 SER 7 10.690 -4.484 0.623 224 HG SER 7 HG SER 7 10.406 -6.787 2.239 225 H CYS 8 HN CYS 8 11.984 -2.253 2.361 226 HA CYS 8 HA CYS 8 9.683 -0.507 2.870 227 HB2 CYS 8 HB2 CYS 8 12.568 -0.011 3.637 228 HB3 CYS 8 HB1 CYS 8 11.229 1.101 3.888 229 H VAL 9 HN VAL 9 9.250 0.893 1.329 230 HA VAL 9 HA VAL 9 11.159 1.225 -0.861 231 HB VAL 9 HB VAL 9 9.295 2.394 -2.073 232 HG11 VAL 9 HG11 VAL 9 8.680 -0.336 -1.025 233 HG12 VAL 9 HG12 VAL 9 9.631 0.049 -2.464 234 HG13 VAL 9 3HG1 VAL 9 7.895 0.385 -2.428 235 HG21 VAL 9 HG21 VAL 9 7.637 1.568 0.309 236 HG22 VAL 9 HG22 VAL 9 7.005 2.255 -1.189 237 HG23 VAL 9 HG23 VAL 9 8.043 3.224 -0.140 238 HA PRO 10 HA PRO 10 12.484 5.142 0.597 239 HB2 PRO 10 HB2 PRO 10 13.122 6.390 -1.727 240 HB3 PRO 10 HB1 PRO 10 14.100 5.091 -1.031 241 HG2 PRO 10 HG2 PRO 10 12.056 4.958 -3.215 242 HG3 PRO 10 HG1 PRO 10 13.657 4.198 -3.138 243 HD2 PRO 10 HD2 PRO 10 11.396 2.837 -2.608 244 HD3 PRO 10 HD1 PRO 10 12.917 2.495 -1.760 245 H SER 11 HN SER 11 11.991 7.361 0.683 246 HA SER 11 HA SER 11 9.312 8.071 0.501 247 HB2 SER 11 HB2 SER 11 11.744 9.861 0.634 248 HB3 SER 11 HB1 SER 11 10.102 10.259 1.143 249 HG SER 11 HG SER 11 11.422 9.683 2.869 250 H GLY 12 HN GLY 12 8.167 8.955 -1.135 251 HA2 GLY 12 HA2 GLY 12 8.155 10.487 -3.043 252 HA3 GLY 12 HA1 GLY 12 9.675 9.748 -3.537 253 H THR 13 HN THR 13 8.461 7.145 -2.521 254 HA THR 13 HA THR 13 7.484 6.239 -5.023 255 HB THR 13 HB THR 13 7.389 4.918 -2.296 256 HG1 THR 13 HG1 THR 13 9.469 5.090 -2.649 257 HG21 THR 13 HG21 THR 13 5.882 3.843 -3.930 258 HG22 THR 13 HG22 THR 13 7.259 2.805 -3.561 259 HG23 THR 13 HG23 THR 13 7.220 3.712 -5.071 260 H CYS 14 HN CYS 14 5.456 6.499 -5.771 261 HA CYS 14 HA CYS 14 3.344 6.917 -3.812 262 HB2 CYS 14 HB2 CYS 14 3.352 7.770 -6.718 263 HB3 CYS 14 HB1 CYS 14 2.162 8.198 -5.505 264 H ALA 15 HN ALA 15 1.358 5.664 -4.100 265 HA ALA 15 HA ALA 15 1.358 3.758 -6.301 266 HB1 ALA 15 HB1 ALA 15 1.078 2.952 -3.407 267 HB2 ALA 15 HB2 ALA 15 2.470 2.610 -4.434 268 HB3 ALA 15 HB3 ALA 15 0.903 1.889 -4.803 269 H ASP 16 HN ASP 16 -0.666 3.107 -6.924 270 HA ASP 16 HA ASP 16 -2.830 4.599 -5.666 271 HB2 ASP 16 HB2 ASP 16 -4.199 4.209 -7.638 272 HB3 ASP 16 HB1 ASP 16 -2.650 4.869 -8.131 273 H PHE 17 HN PHE 17 -4.677 3.669 -4.932 274 HA PHE 17 HA PHE 17 -4.753 0.760 -4.726 275 HB2 PHE 17 HB2 PHE 17 -5.120 2.799 -2.518 276 HB3 PHE 17 HB1 PHE 17 -5.509 1.096 -2.357 277 HD1 PHE 17 HD1 PHE 17 -3.757 -0.541 -2.154 278 HD2 PHE 17 HD2 PHE 17 -2.835 3.600 -2.507 279 HE1 PHE 17 HE1 PHE 17 -1.495 -0.979 -1.364 280 HE2 PHE 17 HE2 PHE 17 -0.564 3.168 -1.711 281 HZ PHE 17 HZ PHE 17 0.120 0.878 -1.137 282 HA PRO 18 HA PRO 18 -9.130 1.319 -5.665 283 HB2 PRO 18 HB2 PRO 18 -9.738 -0.297 -3.240 284 HB3 PRO 18 HB1 PRO 18 -10.250 -0.571 -4.905 285 HG2 PRO 18 HG2 PRO 18 -8.380 -2.096 -3.850 286 HG3 PRO 18 HG1 PRO 18 -8.194 -1.498 -5.509 287 HD2 PRO 18 HD2 PRO 18 -6.912 -0.509 -2.989 288 HD3 PRO 18 HD1 PRO 18 -6.182 -0.774 -4.580 289 H TRP 19 HN TRP 19 -11.036 2.396 -4.897 290 HA TRP 19 HA TRP 19 -10.683 4.405 -2.928 291 HB2 TRP 19 HB2 TRP 19 -12.252 4.505 -4.921 292 HB3 TRP 19 HB1 TRP 19 -13.278 3.333 -4.112 293 HD1 TRP 19 HD1 TRP 19 -12.204 6.995 -3.943 294 HE1 TRP 19 HE1 TRP 19 -13.892 8.286 -2.502 295 HE3 TRP 19 3HE TRP 19 -14.994 3.077 -2.233 296 HZ2 TRP 19 HZ2 TRP 19 -16.109 7.737 -0.876 297 HZ3 TRP 19 HZ3 TRP 19 -16.884 3.550 -0.739 298 HH2 TRP 19 2HH TRP 19 -17.430 5.834 -0.076 299 HA PRO 20 HA PRO 20 -11.763 5.502 -1.366 300 HB2 PRO 20 HB2 PRO 20 -11.929 6.107 1.200 301 HB3 PRO 20 HB1 PRO 20 -13.350 5.530 0.319 302 HG2 PRO 20 HG2 PRO 20 -11.592 4.081 2.237 303 HG3 PRO 20 HG1 PRO 20 -13.345 3.966 2.010 304 HD2 PRO 20 HD2 PRO 20 -11.397 2.226 0.940 305 HD3 PRO 20 HD1 PRO 20 -13.104 2.304 0.469 306 H LEU 21 HN LEU 21 -9.550 3.270 -0.659 307 HA LEU 21 HA LEU 21 -7.621 4.583 0.971 308 HB2 LEU 21 HB2 LEU 21 -7.886 2.101 -0.009 309 HB3 LEU 21 HB1 LEU 21 -6.834 2.732 -1.244 310 HG LEU 21 HG LEU 21 -5.500 1.519 0.294 311 HD11 LEU 21 HD11 LEU 21 -5.110 4.422 0.889 312 HD12 LEU 21 HD12 LEU 21 -4.446 3.523 -0.476 313 HD13 LEU 21 HD13 LEU 21 -3.935 3.135 1.166 314 HD21 LEU 21 HD21 LEU 21 -5.411 1.983 2.685 315 HD22 LEU 21 HD22 LEU 21 -7.009 1.443 2.170 316 HD23 LEU 21 HD23 LEU 21 -6.718 3.150 2.503 317 H GLY 22 HN GLY 22 -8.131 4.259 -2.513 318 HA2 GLY 22 HA2 GLY 22 -7.792 5.711 -4.255 319 HA3 GLY 22 HA1 GLY 22 -7.517 6.978 -3.068 320 H HIS 23 HN HIS 23 -5.833 7.759 -4.455 321 HA HIS 23 HA HIS 23 -3.516 6.042 -4.632 322 HB2 HIS 23 HB2 HIS 23 -4.161 7.597 -6.538 323 HB3 HIS 23 HB1 HIS 23 -3.745 8.946 -5.489 324 HD1 HIS 23 HD1 HIS 23 -2.297 6.862 -8.054 325 HD2 HIS 23 HD2 HIS 23 -0.889 8.732 -4.629 326 HE1 HIS 23 HE1 HIS 23 0.198 6.977 -8.292 327 H GLN 24 HN GLN 24 -1.903 6.080 -3.245 328 HA GLN 24 HA GLN 24 -1.760 8.303 -1.362 329 HB2 GLN 24 HB2 GLN 24 -1.473 5.366 -0.754 330 HB3 GLN 24 HB1 GLN 24 -1.036 6.652 0.357 331 HG2 GLN 24 HG2 GLN 24 -3.792 6.157 -0.735 332 HG3 GLN 24 HG1 GLN 24 -3.229 5.665 0.856 333 HE21 GLN 24 1HE2 GLN 24 -5.414 7.382 0.169 334 HE22 GLN 24 2HE2 GLN 24 -5.128 8.916 0.913 335 H CYS 25 HN CYS 25 0.126 9.225 -1.489 336 HA CYS 25 HA CYS 25 2.264 7.634 -2.571 337 HB2 CYS 25 HB2 CYS 25 1.794 9.811 -3.713 338 HB3 CYS 25 HB1 CYS 25 2.186 10.648 -2.217 339 H PHE 26 HN PHE 26 4.323 7.614 -1.456 340 HA PHE 26 HA PHE 26 3.846 7.938 1.402 341 HB2 PHE 26 HB2 PHE 26 5.788 6.085 0.011 342 HB3 PHE 26 HB1 PHE 26 5.453 6.138 1.738 343 HD1 PHE 26 HD1 PHE 26 2.992 5.695 2.443 344 HD2 PHE 26 HD2 PHE 26 4.602 4.623 -1.347 345 HE1 PHE 26 HE1 PHE 26 1.183 4.055 2.139 346 HE2 PHE 26 HE2 PHE 26 2.797 2.984 -1.657 347 HZ PHE 26 HZ PHE 26 1.081 2.699 0.088 348 HA PRO 27 HA PRO 27 7.011 11.118 0.662 349 HB2 PRO 27 HB2 PRO 27 6.332 12.702 2.735 350 HB3 PRO 27 HB1 PRO 27 5.410 12.690 1.228 351 HG2 PRO 27 HG2 PRO 27 4.808 11.361 3.834 352 HG3 PRO 27 HG1 PRO 27 3.708 12.195 2.724 353 HD2 PRO 27 HD2 PRO 27 3.979 9.471 2.863 354 HD3 PRO 27 HD1 PRO 27 3.441 10.335 1.410 355 H ASP 28 HN ASP 28 6.478 8.981 3.169 356 HA ASP 28 HA ASP 28 9.107 9.574 4.382 357 HB2 ASP 28 HB2 ASP 28 6.625 8.416 5.657 358 HB3 ASP 28 HB1 ASP 28 8.203 8.421 6.426 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 -6.441 -7.531 4.078 2 HA2 GLY 1 HA2 GLY 1 -7.400 -5.760 2.918 3 HA3 GLY 1 HA1 GLY 1 -8.156 -5.213 4.420 4 H PHE 2 HN PHE 2 -7.193 -3.141 3.477 5 HA PHE 2 HA PHE 2 -4.614 -2.818 4.783 6 HB2 PHE 2 HB2 PHE 2 -4.057 -3.100 2.421 7 HB3 PHE 2 HB1 PHE 2 -5.201 -1.846 1.973 8 HD1 PHE 2 HD1 PHE 2 -4.365 0.257 1.557 9 HD2 PHE 2 HD2 PHE 2 -2.230 -2.320 4.187 10 HE1 PHE 2 HE1 PHE 2 -2.588 1.941 1.759 11 HE2 PHE 2 HE2 PHE 2 -0.449 -0.638 4.394 12 HZ PHE 2 HZ PHE 2 -0.626 1.495 3.177 13 H CYS 3 HN CYS 3 -4.558 -1.137 6.031 14 HA CYS 3 HA CYS 3 -6.610 0.906 5.735 15 HB2 CYS 3 HB2 CYS 3 -5.418 -0.319 8.218 16 HB3 CYS 3 HB1 CYS 3 -6.330 1.183 8.237 17 H TRP 4 HN TRP 4 -5.956 2.883 5.616 18 HA TRP 4 HA TRP 4 -3.371 3.712 6.536 19 HB2 TRP 4 HB2 TRP 4 -2.880 2.774 4.316 20 HB3 TRP 4 HB1 TRP 4 -4.099 3.811 3.600 21 HD1 TRP 4 HD1 TRP 4 -3.393 6.313 3.084 22 HE1 TRP 4 HE1 TRP 4 -1.132 7.559 3.169 23 HE3 TRP 4 3HE TRP 4 -0.640 2.876 5.685 24 HZ2 TRP 4 HZ2 TRP 4 1.435 7.154 4.192 25 HZ3 TRP 4 HZ3 TRP 4 1.720 3.392 6.169 26 HH2 TRP 4 2HH TRP 4 2.726 5.488 5.432 27 H HIS 5 HN HIS 5 -4.053 5.345 7.673 28 HA HIS 5 HA HIS 5 -4.983 7.212 8.371 29 HB2 HIS 5 HB2 HIS 5 -4.326 8.033 5.557 30 HB3 HIS 5 HB1 HIS 5 -4.867 9.176 6.786 31 HD1 HIS 5 HD1 HIS 5 -1.843 7.511 5.523 32 HD2 HIS 5 HD2 HIS 5 -3.078 9.331 9.047 33 HE1 HIS 5 HE1 HIS 5 0.245 7.948 6.854 34 H HIS 6 HN HIS 6 -6.904 5.852 8.512 35 HA HIS 6 HA HIS 6 -9.119 5.924 8.868 36 HB2 HIS 6 HB2 HIS 6 -9.111 8.561 7.383 37 HB3 HIS 6 HB1 HIS 6 -10.501 7.898 8.231 38 HD1 HIS 6 HD1 HIS 6 -10.525 8.189 10.828 39 HD2 HIS 6 HD2 HIS 6 -7.069 9.581 8.988 40 HE1 HIS 6 HE1 HIS 6 -9.291 9.511 12.571 41 H SER 7 HN SER 7 -7.750 5.247 6.111 42 HA SER 7 HA SER 7 -10.304 4.609 4.809 43 HB2 SER 7 HB2 SER 7 -7.623 5.102 3.501 44 HB3 SER 7 HB1 SER 7 -9.144 4.751 2.672 45 HG SER 7 HG SER 7 -9.964 6.695 3.499 46 H CYS 8 HN CYS 8 -10.677 2.478 4.503 47 HA CYS 8 HA CYS 8 -8.389 0.660 4.577 48 HB2 CYS 8 HB2 CYS 8 -11.004 0.285 6.044 49 HB3 CYS 8 HB1 CYS 8 -9.765 -0.950 5.868 50 H VAL 9 HN VAL 9 -8.452 -0.901 3.132 51 HA VAL 9 HA VAL 9 -10.884 -1.216 1.512 52 HB VAL 9 HB VAL 9 -9.389 -2.155 -0.292 53 HG11 VAL 9 HG11 VAL 9 -8.399 -0.001 -0.970 54 HG12 VAL 9 HG12 VAL 9 -8.742 0.623 0.648 55 HG13 VAL 9 3HG1 VAL 9 -10.067 0.152 -0.414 56 HG21 VAL 9 HG21 VAL 9 -6.962 -1.778 -0.146 57 HG22 VAL 9 HG22 VAL 9 -7.520 -2.878 1.117 58 HG23 VAL 9 HG23 VAL 9 -7.165 -1.195 1.507 59 HA PRO 10 HA PRO 10 -11.385 -5.222 3.145 60 HB2 PRO 10 HB2 PRO 10 -12.496 -6.616 1.121 61 HB3 PRO 10 HB1 PRO 10 -13.348 -5.314 1.962 62 HG2 PRO 10 HG2 PRO 10 -11.881 -5.236 -0.648 63 HG3 PRO 10 HG1 PRO 10 -13.471 -4.562 -0.244 64 HD2 PRO 10 HD2 PRO 10 -11.250 -3.037 -0.325 65 HD3 PRO 10 HD1 PRO 10 -12.568 -2.737 0.826 66 H SER 11 HN SER 11 -10.843 -7.446 3.109 67 HA SER 11 HA SER 11 -8.243 -8.112 2.439 68 HB2 SER 11 HB2 SER 11 -10.608 -9.926 2.930 69 HB3 SER 11 HB1 SER 11 -8.901 -10.351 3.087 70 HG SER 11 HG SER 11 -9.090 -9.720 5.014 71 H GLY 12 HN GLY 12 -7.369 -9.206 0.714 72 HA2 GLY 12 HA2 GLY 12 -7.616 -10.638 -1.190 73 HA3 GLY 12 HA1 GLY 12 -9.217 -9.949 -1.431 74 H THR 13 HN THR 13 -8.032 -7.237 -0.735 75 HA THR 13 HA THR 13 -7.537 -6.387 -3.359 76 HB THR 13 HB THR 13 -6.826 -4.994 -0.759 77 HG1 THR 13 HG1 THR 13 -8.944 -5.126 -0.593 78 HG21 THR 13 HG21 THR 13 -7.331 -3.895 -3.535 79 HG22 THR 13 HG22 THR 13 -5.762 -3.975 -2.734 80 HG23 THR 13 HG23 THR 13 -7.029 -2.928 -2.091 81 H CYS 14 HN CYS 14 -5.733 -6.486 -4.534 82 HA CYS 14 HA CYS 14 -3.181 -6.890 -3.156 83 HB2 CYS 14 HB2 CYS 14 -4.058 -7.935 -5.849 84 HB3 CYS 14 HB1 CYS 14 -2.474 -8.160 -5.132 85 H ALA 15 HN ALA 15 -1.560 -5.576 -3.777 86 HA ALA 15 HA ALA 15 -2.082 -3.737 -5.994 87 HB1 ALA 15 HB1 ALA 15 -1.073 -1.925 -4.676 88 HB2 ALA 15 HB2 ALA 15 -0.908 -3.024 -3.304 89 HB3 ALA 15 HB3 ALA 15 -2.511 -2.572 -3.880 90 H ASP 16 HN ASP 16 -0.293 -3.248 -7.216 91 HA ASP 16 HA ASP 16 2.019 -4.977 -6.742 92 HB2 ASP 16 HB2 ASP 16 0.930 -5.090 -8.966 93 HB3 ASP 16 HB1 ASP 16 1.301 -3.387 -9.215 94 H PHE 17 HN PHE 17 3.546 -4.090 -5.605 95 HA PHE 17 HA PHE 17 4.014 -1.219 -5.759 96 HB2 PHE 17 HB2 PHE 17 4.937 -3.347 -3.822 97 HB3 PHE 17 HB1 PHE 17 5.475 -1.676 -3.765 98 HD1 PHE 17 HD1 PHE 17 4.048 0.040 -2.952 99 HD2 PHE 17 HD2 PHE 17 2.695 -3.970 -3.199 100 HE1 PHE 17 HE1 PHE 17 2.134 0.607 -1.505 101 HE2 PHE 17 HE2 PHE 17 0.778 -3.424 -1.754 102 HZ PHE 17 HZ PHE 17 0.498 -1.135 -0.907 103 HA PRO 18 HA PRO 18 7.905 -1.847 -7.905 104 HB2 PRO 18 HB2 PRO 18 9.158 -0.013 -5.943 105 HB3 PRO 18 HB1 PRO 18 9.059 0.137 -7.700 106 HG2 PRO 18 HG2 PRO 18 7.592 1.696 -6.125 107 HG3 PRO 18 HG1 PRO 18 6.925 1.042 -7.632 108 HD2 PRO 18 HD2 PRO 18 6.492 0.120 -4.817 109 HD3 PRO 18 HD1 PRO 18 5.319 0.307 -6.138 110 H TRP 19 HN TRP 19 10.215 -2.378 -7.403 111 HA TRP 19 HA TRP 19 10.309 -4.555 -5.583 112 HB2 TRP 19 HB2 TRP 19 11.516 -4.251 -7.852 113 HB3 TRP 19 HB1 TRP 19 12.656 -3.243 -6.973 114 HD1 TRP 19 HD1 TRP 19 11.371 -6.873 -7.055 115 HE1 TRP 19 HE1 TRP 19 13.219 -8.409 -6.181 116 HE3 TRP 19 3HE TRP 19 14.751 -3.324 -5.688 117 HZ2 TRP 19 HZ2 TRP 19 15.807 -8.156 -5.061 118 HZ3 TRP 19 HZ3 TRP 19 16.903 -4.047 -4.725 119 HH2 TRP 19 2HH TRP 19 17.417 -6.414 -4.418 120 HA PRO 20 HA PRO 20 11.630 -5.609 -4.341 121 HB2 PRO 20 HB2 PRO 20 12.339 -6.305 -1.838 122 HB3 PRO 20 HB1 PRO 20 13.501 -5.761 -3.050 123 HG2 PRO 20 HG2 PRO 20 12.580 -4.392 -0.633 124 HG3 PRO 20 HG1 PRO 20 13.979 -4.037 -1.650 125 HD2 PRO 20 HD2 PRO 20 11.344 -2.781 -1.643 126 HD3 PRO 20 HD1 PRO 20 12.823 -2.262 -2.473 127 H LEU 21 HN LEU 21 9.268 -3.796 -3.238 128 HA LEU 21 HA LEU 21 8.056 -5.552 -1.317 129 HB2 LEU 21 HB2 LEU 21 6.923 -3.220 -2.839 130 HB3 LEU 21 HB1 LEU 21 5.971 -4.175 -1.722 131 HG LEU 21 HG LEU 21 8.375 -2.488 -1.040 132 HD11 LEU 21 HD11 LEU 21 6.789 -1.205 0.251 133 HD12 LEU 21 HD12 LEU 21 5.473 -2.217 -0.347 134 HD13 LEU 21 HD13 LEU 21 6.378 -1.186 -1.468 135 HD21 LEU 21 HD21 LEU 21 7.816 -3.059 1.286 136 HD22 LEU 21 HD22 LEU 21 8.368 -4.430 0.338 137 HD23 LEU 21 HD23 LEU 21 6.648 -4.241 0.684 138 H GLY 22 HN GLY 22 7.356 -4.811 -4.698 139 HA2 GLY 22 HA2 GLY 22 6.700 -6.313 -6.316 140 HA3 GLY 22 HA1 GLY 22 6.712 -7.579 -5.104 141 H HIS 23 HN HIS 23 4.772 -8.363 -5.928 142 HA HIS 23 HA HIS 23 2.408 -6.701 -5.882 143 HB2 HIS 23 HB2 HIS 23 2.928 -8.538 -7.599 144 HB3 HIS 23 HB1 HIS 23 2.614 -9.689 -6.311 145 HD1 HIS 23 HD1 HIS 23 0.997 -8.634 -9.141 146 HD2 HIS 23 HD2 HIS 23 -0.174 -8.741 -5.166 147 HE1 HIS 23 HE1 HIS 23 -1.510 -8.623 -9.161 148 H GLN 24 HN GLN 24 1.508 -6.326 -3.960 149 HA GLN 24 HA GLN 24 1.755 -8.412 -1.933 150 HB2 GLN 24 HB2 GLN 24 1.630 -5.428 -1.609 151 HB3 GLN 24 HB1 GLN 24 1.423 -6.547 -0.269 152 HG2 GLN 24 HG2 GLN 24 3.866 -6.359 -2.025 153 HG3 GLN 24 HG1 GLN 24 3.713 -5.688 -0.400 154 HE21 GLN 24 1HE2 GLN 24 5.564 -7.703 -1.413 155 HE22 GLN 24 2HE2 GLN 24 5.321 -9.105 -0.428 156 H CYS 25 HN CYS 25 0.054 -9.352 -1.308 157 HA CYS 25 HA CYS 25 -2.561 -8.188 -1.849 158 HB2 CYS 25 HB2 CYS 25 -1.691 -11.037 -1.352 159 HB3 CYS 25 HB1 CYS 25 -3.377 -10.534 -1.404 160 H PHE 26 HN PHE 26 -3.862 -7.652 -0.247 161 HA PHE 26 HA PHE 26 -2.732 -7.862 2.428 162 HB2 PHE 26 HB2 PHE 26 -4.932 -6.085 1.371 163 HB3 PHE 26 HB1 PHE 26 -4.242 -6.012 2.987 164 HD1 PHE 26 HD1 PHE 26 -1.769 -5.460 3.199 165 HD2 PHE 26 HD2 PHE 26 -3.968 -4.893 -0.399 166 HE1 PHE 26 HE1 PHE 26 -0.048 -3.900 2.395 167 HE2 PHE 26 HE2 PHE 26 -2.250 -3.333 -1.208 168 HZ PHE 26 HZ PHE 26 -0.285 -2.836 0.192 169 HA PRO 27 HA PRO 27 -5.889 -11.086 2.896 170 HB2 PRO 27 HB2 PRO 27 -4.880 -12.164 5.159 171 HB3 PRO 27 HB1 PRO 27 -4.180 -12.480 3.568 172 HG2 PRO 27 HG2 PRO 27 -3.272 -10.601 5.703 173 HG3 PRO 27 HG1 PRO 27 -2.306 -11.648 4.652 174 HD2 PRO 27 HD2 PRO 27 -2.637 -8.973 4.234 175 HD3 PRO 27 HD1 PRO 27 -2.320 -10.131 2.928 176 H ASP 28 HN ASP 28 -4.998 -8.661 5.167 177 HA ASP 28 HA ASP 28 -7.525 -9.049 6.644 178 HB2 ASP 28 HB2 ASP 28 -5.460 -9.068 8.006 179 HB3 ASP 28 HB1 ASP 28 -5.039 -7.476 7.397 180 H1 GLY 1 HN GLY 1 7.464 7.412 2.363 181 HA2 GLY 1 HA2 GLY 1 8.096 5.580 1.088 182 HA3 GLY 1 HA1 GLY 1 9.377 5.249 2.247 183 H PHE 2 HN PHE 2 7.648 3.314 1.123 184 HA PHE 2 HA PHE 2 5.885 2.709 3.383 185 HB2 PHE 2 HB2 PHE 2 4.701 3.013 1.226 186 HB3 PHE 2 HB1 PHE 2 5.629 1.682 0.551 187 HD1 PHE 2 HD1 PHE 2 4.657 -0.406 0.541 188 HD2 PHE 2 HD2 PHE 2 3.406 2.420 3.455 189 HE1 PHE 2 HE1 PHE 2 2.950 -1.985 1.334 190 HE2 PHE 2 HE2 PHE 2 1.697 0.847 4.256 191 HZ PHE 2 HZ PHE 2 1.466 -1.361 3.193 192 H CYS 3 HN CYS 3 6.637 1.280 4.661 193 HA CYS 3 HA CYS 3 8.461 -0.760 3.659 194 HB2 CYS 3 HB2 CYS 3 8.077 0.221 6.500 195 HB3 CYS 3 HB1 CYS 3 9.286 -0.922 5.943 196 H TRP 4 HN TRP 4 7.716 -2.756 3.641 197 HA TRP 4 HA TRP 4 5.491 -3.499 5.320 198 HB2 TRP 4 HB2 TRP 4 4.418 -2.630 3.340 199 HB3 TRP 4 HB1 TRP 4 5.461 -3.574 2.297 200 HD1 TRP 4 HD1 TRP 4 4.746 -6.069 1.835 201 HE1 TRP 4 HE1 TRP 4 2.651 -7.433 2.376 202 HE3 TRP 4 3HE TRP 4 2.585 -2.910 5.223 203 HZ2 TRP 4 HZ2 TRP 4 0.371 -7.217 4.033 204 HZ3 TRP 4 HZ3 TRP 4 0.444 -3.569 6.241 205 HH2 TRP 4 2HH TRP 4 -0.635 -5.680 5.655 206 H HIS 5 HN HIS 5 6.050 -5.263 6.205 207 HA HIS 5 HA HIS 5 7.126 -7.109 6.802 208 HB2 HIS 5 HB2 HIS 5 5.224 -7.929 5.426 209 HB3 HIS 5 HB1 HIS 5 6.323 -8.098 4.064 210 HD1 HIS 5 HD1 HIS 5 6.787 -10.555 3.797 211 HD2 HIS 5 HD2 HIS 5 6.662 -9.403 7.777 212 HE1 HIS 5 HE1 HIS 5 7.315 -12.623 5.142 213 H HIS 6 HN HIS 6 9.066 -5.709 6.609 214 HA HIS 6 HA HIS 6 11.289 -5.762 6.659 215 HB2 HIS 6 HB2 HIS 6 11.024 -8.540 5.502 216 HB3 HIS 6 HB1 HIS 6 12.555 -7.824 5.990 217 HD1 HIS 6 HD1 HIS 6 13.128 -7.911 8.503 218 HD2 HIS 6 HD2 HIS 6 9.235 -9.106 7.653 219 HE1 HIS 6 HE1 HIS 6 12.227 -8.915 10.619 220 H SER 7 HN SER 7 9.650 -5.210 4.008 221 HA SER 7 HA SER 7 12.090 -4.538 2.591 222 HB2 SER 7 HB2 SER 7 9.514 -5.624 1.447 223 HB3 SER 7 HB1 SER 7 10.816 -4.954 0.455 224 HG SER 7 HG SER 7 12.140 -6.529 1.643 225 H CYS 8 HN CYS 8 11.857 -2.483 1.388 226 HA CYS 8 HA CYS 8 9.447 -1.011 2.002 227 HB2 CYS 8 HB2 CYS 8 10.989 -0.824 3.983 228 HB3 CYS 8 HB1 CYS 8 12.153 -0.061 2.898 229 H VAL 9 HN VAL 9 9.236 0.795 0.796 230 HA VAL 9 HA VAL 9 11.153 1.124 -1.396 231 HB VAL 9 HB VAL 9 9.253 2.179 -2.713 232 HG11 VAL 9 HG11 VAL 9 9.942 -0.103 -3.166 233 HG12 VAL 9 HG12 VAL 9 8.192 0.047 -3.330 234 HG13 VAL 9 3HG1 VAL 9 8.885 -0.693 -1.887 235 HG21 VAL 9 HG21 VAL 9 7.762 2.724 -0.861 236 HG22 VAL 9 HG22 VAL 9 7.565 1.012 -0.497 237 HG23 VAL 9 HG23 VAL 9 6.938 1.666 -2.010 238 HA PRO 10 HA PRO 10 12.321 4.920 0.258 239 HB2 PRO 10 HB2 PRO 10 12.822 6.397 -1.997 240 HB3 PRO 10 HB1 PRO 10 13.893 5.145 -1.359 241 HG2 PRO 10 HG2 PRO 10 11.853 4.949 -3.542 242 HG3 PRO 10 HG1 PRO 10 13.506 4.307 -3.499 243 HD2 PRO 10 HD2 PRO 10 11.401 2.738 -3.052 244 HD3 PRO 10 HD1 PRO 10 12.908 2.533 -2.135 245 H SER 11 HN SER 11 11.966 7.236 0.345 246 HA SER 11 HA SER 11 9.264 7.921 0.577 247 HB2 SER 11 HB2 SER 11 11.708 9.702 0.499 248 HB3 SER 11 HB1 SER 11 10.118 10.145 1.119 249 HG SER 11 HG SER 11 11.395 7.863 2.157 250 H GLY 12 HN GLY 12 7.883 8.814 -0.831 251 HA2 GLY 12 HA2 GLY 12 7.358 10.285 -2.607 252 HA3 GLY 12 HA1 GLY 12 8.970 10.020 -3.260 253 H THR 13 HN THR 13 7.925 7.070 -2.290 254 HA THR 13 HA THR 13 7.220 6.311 -4.943 255 HB THR 13 HB THR 13 7.042 4.674 -2.393 256 HG1 THR 13 HG1 THR 13 9.152 5.107 -2.602 257 HG21 THR 13 HG21 THR 13 5.747 3.731 -4.266 258 HG22 THR 13 HG22 THR 13 7.172 2.745 -3.930 259 HG23 THR 13 HG23 THR 13 7.167 3.847 -5.305 260 H CYS 14 HN CYS 14 5.264 6.337 -5.777 261 HA CYS 14 HA CYS 14 3.018 6.886 -4.009 262 HB2 CYS 14 HB2 CYS 14 3.239 7.349 -6.982 263 HB3 CYS 14 HB1 CYS 14 1.964 7.919 -5.914 264 H ALA 15 HN ALA 15 1.095 5.658 -4.206 265 HA ALA 15 HA ALA 15 1.239 3.357 -5.991 266 HB1 ALA 15 HB1 ALA 15 2.029 2.631 -3.802 267 HB2 ALA 15 HB2 ALA 15 0.462 1.909 -4.180 268 HB3 ALA 15 HB3 ALA 15 0.562 3.265 -3.058 269 H ASP 16 HN ASP 16 -0.683 2.647 -6.705 270 HA ASP 16 HA ASP 16 -2.966 4.440 -6.293 271 HB2 ASP 16 HB2 ASP 16 -2.362 2.451 -8.490 272 HB3 ASP 16 HB1 ASP 16 -3.905 3.273 -8.330 273 H PHE 17 HN PHE 17 -4.370 3.763 -4.816 274 HA PHE 17 HA PHE 17 -4.858 0.881 -4.595 275 HB2 PHE 17 HB2 PHE 17 -5.186 3.110 -2.583 276 HB3 PHE 17 HB1 PHE 17 -5.731 1.465 -2.308 277 HD1 PHE 17 HD1 PHE 17 -4.037 -0.355 -2.206 278 HD2 PHE 17 HD2 PHE 17 -2.980 3.761 -2.214 279 HE1 PHE 17 HE1 PHE 17 -1.856 -0.926 -1.277 280 HE2 PHE 17 HE2 PHE 17 -0.791 3.212 -1.283 281 HZ PHE 17 HZ PHE 17 -0.209 0.865 -0.805 282 HA PRO 18 HA PRO 18 -9.009 1.784 -5.842 283 HB2 PRO 18 HB2 PRO 18 -10.467 -0.102 -4.547 284 HB3 PRO 18 HB1 PRO 18 -9.399 -0.493 -5.897 285 HG2 PRO 18 HG2 PRO 18 -8.984 -0.877 -2.979 286 HG3 PRO 18 HG1 PRO 18 -8.457 -1.887 -4.333 287 HD2 PRO 18 HD2 PRO 18 -6.868 -0.099 -2.946 288 HD3 PRO 18 HD1 PRO 18 -6.488 -0.719 -4.553 289 H TRP 19 HN TRP 19 -11.239 2.246 -4.966 290 HA TRP 19 HA TRP 19 -11.134 4.233 -2.957 291 HB2 TRP 19 HB2 TRP 19 -12.758 4.090 -4.915 292 HB3 TRP 19 HB1 TRP 19 -13.596 2.822 -4.036 293 HD1 TRP 19 HD1 TRP 19 -12.909 6.585 -3.928 294 HE1 TRP 19 HE1 TRP 19 -14.643 7.701 -2.420 295 HE3 TRP 19 3HE TRP 19 -15.216 2.395 -2.140 296 HZ2 TRP 19 HZ2 TRP 19 -16.751 6.913 -0.698 297 HZ3 TRP 19 HZ3 TRP 19 -17.074 2.659 -0.571 298 HH2 TRP 19 2HH TRP 19 -17.835 4.871 0.139 299 HA PRO 20 HA PRO 20 -12.200 5.167 -1.359 300 HB2 PRO 20 HB2 PRO 20 -12.437 5.749 1.198 301 HB3 PRO 20 HB1 PRO 20 -13.773 4.970 0.339 302 HG2 PRO 20 HG2 PRO 20 -11.787 3.778 2.225 303 HG3 PRO 20 HG1 PRO 20 -13.517 3.440 2.061 304 HD2 PRO 20 HD2 PRO 20 -11.420 1.940 0.924 305 HD3 PRO 20 HD1 PRO 20 -13.142 1.840 0.505 306 H LEU 21 HN LEU 21 -9.655 3.363 -1.008 307 HA LEU 21 HA LEU 21 -7.978 4.833 0.834 308 HB2 LEU 21 HB2 LEU 21 -7.903 2.314 -0.111 309 HB3 LEU 21 HB1 LEU 21 -6.901 3.068 -1.319 310 HG LEU 21 HG LEU 21 -5.451 2.080 0.248 311 HD11 LEU 21 HD11 LEU 21 -4.665 4.227 -0.444 312 HD12 LEU 21 HD12 LEU 21 -4.186 3.901 1.222 313 HD13 LEU 21 HD13 LEU 21 -5.522 5.002 0.888 314 HD21 LEU 21 HD21 LEU 21 -6.994 3.449 2.434 315 HD22 LEU 21 HD22 LEU 21 -5.530 2.488 2.654 316 HD23 LEU 21 HD23 LEU 21 -7.003 1.728 2.056 317 H GLY 22 HN GLY 22 -8.088 4.289 -2.677 318 HA2 GLY 22 HA2 GLY 22 -7.850 5.797 -4.418 319 HA3 GLY 22 HA1 GLY 22 -7.625 7.079 -3.237 320 H HIS 23 HN HIS 23 -5.970 7.752 -4.800 321 HA HIS 23 HA HIS 23 -3.563 6.173 -4.917 322 HB2 HIS 23 HB2 HIS 23 -4.254 7.595 -6.845 323 HB3 HIS 23 HB1 HIS 23 -4.073 9.023 -5.835 324 HD1 HIS 23 HD1 HIS 23 -2.156 6.669 -7.952 325 HD2 HIS 23 HD2 HIS 23 -1.355 9.684 -5.204 326 HE1 HIS 23 HE1 HIS 23 0.283 7.230 -8.214 327 H GLN 24 HN GLN 24 -1.991 6.259 -3.482 328 HA GLN 24 HA GLN 24 -1.780 8.617 -1.768 329 HB2 GLN 24 HB2 GLN 24 -1.706 5.731 -0.902 330 HB3 GLN 24 HB1 GLN 24 -1.040 7.030 0.075 331 HG2 GLN 24 HG2 GLN 24 -3.905 6.794 -0.812 332 HG3 GLN 24 HG1 GLN 24 -3.285 6.400 0.791 333 HE21 GLN 24 1HE2 GLN 24 -5.273 8.344 0.001 334 HE22 GLN 24 2HE2 GLN 24 -4.713 9.873 0.579 335 H CYS 25 HN CYS 25 0.243 9.310 -1.427 336 HA CYS 25 HA CYS 25 2.337 7.615 -2.501 337 HB2 CYS 25 HB2 CYS 25 1.776 9.633 -3.945 338 HB3 CYS 25 HB1 CYS 25 2.339 10.638 -2.613 339 H PHE 26 HN PHE 26 3.988 7.240 -1.231 340 HA PHE 26 HA PHE 26 3.546 7.926 1.546 341 HB2 PHE 26 HB2 PHE 26 5.492 5.982 0.307 342 HB3 PHE 26 HB1 PHE 26 5.061 6.074 2.008 343 HD1 PHE 26 HD1 PHE 26 2.661 5.587 2.655 344 HD2 PHE 26 HD2 PHE 26 4.234 4.695 -1.191 345 HE1 PHE 26 HE1 PHE 26 0.817 4.009 2.269 346 HE2 PHE 26 HE2 PHE 26 2.395 3.116 -1.583 347 HZ PHE 26 HZ PHE 26 0.680 2.772 0.151 348 HA PRO 27 HA PRO 27 6.854 10.993 1.050 349 HB2 PRO 27 HB2 PRO 27 6.407 12.308 3.368 350 HB3 PRO 27 HB1 PRO 27 5.395 12.541 1.939 351 HG2 PRO 27 HG2 PRO 27 4.887 10.872 4.366 352 HG3 PRO 27 HG1 PRO 27 3.768 11.918 3.478 353 HD2 PRO 27 HD2 PRO 27 3.829 9.220 3.185 354 HD3 PRO 27 HD1 PRO 27 3.346 10.322 1.885 355 H ASP 28 HN ASP 28 6.394 8.700 3.602 356 HA ASP 28 HA ASP 28 9.189 9.094 4.453 357 HB2 ASP 28 HB2 ASP 28 7.470 9.323 6.259 358 HB3 ASP 28 HB1 ASP 28 6.935 7.684 5.932 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 -6.111 -7.898 4.458 2 HA2 GLY 1 HA2 GLY 1 -7.117 -6.051 3.475 3 HA3 GLY 1 HA1 GLY 1 -7.838 -5.650 5.035 4 H PHE 2 HN PHE 2 -6.956 -3.513 4.027 5 HA PHE 2 HA PHE 2 -4.505 -2.943 5.452 6 HB2 PHE 2 HB2 PHE 2 -3.709 -3.520 3.209 7 HB3 PHE 2 HB1 PHE 2 -4.869 -2.416 2.490 8 HD1 PHE 2 HD1 PHE 2 -4.143 -0.329 1.869 9 HD2 PHE 2 HD2 PHE 2 -2.043 -2.415 4.922 10 HE1 PHE 2 HE1 PHE 2 -2.473 1.467 1.939 11 HE2 PHE 2 HE2 PHE 2 -0.366 -0.619 4.997 12 HZ PHE 2 HZ PHE 2 -0.583 1.325 3.501 13 H CYS 3 HN CYS 3 -4.472 -0.763 6.120 14 HA CYS 3 HA CYS 3 -6.535 0.942 5.040 15 HB2 CYS 3 HB2 CYS 3 -7.457 -0.204 7.080 16 HB3 CYS 3 HB1 CYS 3 -6.168 0.533 8.023 17 H TRP 4 HN TRP 4 -5.920 3.018 4.874 18 HA TRP 4 HA TRP 4 -3.641 4.092 6.254 19 HB2 TRP 4 HB2 TRP 4 -2.687 2.704 4.322 20 HB3 TRP 4 HB1 TRP 4 -3.552 3.777 3.234 21 HD1 TRP 4 HD1 TRP 4 -2.617 6.332 3.061 22 HE1 TRP 4 HE1 TRP 4 -0.297 7.310 3.520 23 HE3 TRP 4 3HE TRP 4 -0.643 2.455 5.729 24 HZ2 TRP 4 HZ2 TRP 4 2.088 6.528 4.840 25 HZ3 TRP 4 HZ3 TRP 4 1.663 2.641 6.545 26 HH2 TRP 4 2HH TRP 4 3.005 4.634 6.109 27 H HIS 5 HN HIS 5 -3.785 6.353 6.144 28 HA HIS 5 HA HIS 5 -4.639 8.427 5.812 29 HB2 HIS 5 HB2 HIS 5 -4.019 7.831 3.400 30 HB3 HIS 5 HB1 HIS 5 -5.703 7.397 3.158 31 HD1 HIS 5 HD1 HIS 5 -7.097 9.283 2.196 32 HD2 HIS 5 HD2 HIS 5 -3.758 10.644 4.263 33 HE1 HIS 5 HE1 HIS 5 -7.015 11.768 1.825 34 H HIS 6 HN HIS 6 -6.155 6.307 7.046 35 HA HIS 6 HA HIS 6 -8.083 6.001 8.162 36 HB2 HIS 6 HB2 HIS 6 -8.977 8.640 6.950 37 HB3 HIS 6 HB1 HIS 6 -9.852 7.777 8.202 38 HD1 HIS 6 HD1 HIS 6 -9.329 8.589 10.556 39 HD2 HIS 6 HD2 HIS 6 -6.275 9.426 7.861 40 HE1 HIS 6 HE1 HIS 6 -7.659 9.999 11.798 41 H SER 7 HN SER 7 -7.675 5.520 5.126 42 HA SER 7 HA SER 7 -10.431 4.797 4.492 43 HB2 SER 7 HB2 SER 7 -7.994 5.007 2.717 44 HB3 SER 7 HB1 SER 7 -9.664 4.780 2.191 45 HG SER 7 HG SER 7 -9.728 6.892 3.682 46 H CYS 8 HN CYS 8 -10.850 2.607 4.563 47 HA CYS 8 HA CYS 8 -8.501 0.862 4.791 48 HB2 CYS 8 HB2 CYS 8 -11.228 0.405 6.011 49 HB3 CYS 8 HB1 CYS 8 -9.803 -0.591 6.240 50 H VAL 9 HN VAL 9 -8.448 -1.024 3.619 51 HA VAL 9 HA VAL 9 -10.713 -1.561 1.856 52 HB VAL 9 HB VAL 9 -9.095 -2.629 0.248 53 HG11 VAL 9 HG11 VAL 9 -8.635 0.286 0.806 54 HG12 VAL 9 HG12 VAL 9 -9.889 -0.415 -0.220 55 HG13 VAL 9 3HG1 VAL 9 -8.193 -0.544 -0.685 56 HG21 VAL 9 HG21 VAL 9 -6.988 -1.341 1.985 57 HG22 VAL 9 HG22 VAL 9 -6.698 -2.077 0.410 58 HG23 VAL 9 HG23 VAL 9 -7.240 -3.071 1.763 59 HA PRO 10 HA PRO 10 -11.177 -5.355 3.921 60 HB2 PRO 10 HB2 PRO 10 -12.374 -6.855 2.035 61 HB3 PRO 10 HB1 PRO 10 -13.179 -5.483 2.806 62 HG2 PRO 10 HG2 PRO 10 -11.782 -5.609 0.158 63 HG3 PRO 10 HG1 PRO 10 -13.351 -4.886 0.561 64 HD2 PRO 10 HD2 PRO 10 -11.114 -3.409 0.314 65 HD3 PRO 10 HD1 PRO 10 -12.392 -3.002 1.476 66 H SER 11 HN SER 11 -10.774 -7.653 3.889 67 HA SER 11 HA SER 11 -8.166 -8.369 3.235 68 HB2 SER 11 HB2 SER 11 -10.577 -10.057 3.878 69 HB3 SER 11 HB1 SER 11 -8.906 -10.624 3.893 70 HG SER 11 HG SER 11 -8.769 -9.909 5.770 71 H GLY 12 HN GLY 12 -7.311 -9.174 1.429 72 HA2 GLY 12 HA2 GLY 12 -7.449 -10.717 -0.411 73 HA3 GLY 12 HA1 GLY 12 -9.136 -10.256 -0.605 74 H THR 13 HN THR 13 -7.985 -7.416 0.012 75 HA THR 13 HA THR 13 -7.913 -6.562 -2.663 76 HB THR 13 HB THR 13 -6.898 -5.109 -0.201 77 HG1 THR 13 HG1 THR 13 -8.977 -5.379 0.251 78 HG21 THR 13 HG21 THR 13 -7.847 -4.070 -2.881 79 HG22 THR 13 HG22 THR 13 -6.175 -4.081 -2.320 80 HG23 THR 13 HG23 THR 13 -7.374 -3.075 -1.505 81 H CYS 14 HN CYS 14 -6.323 -6.801 -4.069 82 HA CYS 14 HA CYS 14 -3.570 -6.981 -3.103 83 HB2 CYS 14 HB2 CYS 14 -4.740 -7.832 -5.754 84 HB3 CYS 14 HB1 CYS 14 -3.075 -8.039 -5.231 85 H ALA 15 HN ALA 15 -2.122 -5.540 -3.756 86 HA ALA 15 HA ALA 15 -2.823 -3.626 -5.845 87 HB1 ALA 15 HB1 ALA 15 -2.055 -1.758 -4.450 88 HB2 ALA 15 HB2 ALA 15 -1.823 -2.859 -3.094 89 HB3 ALA 15 HB3 ALA 15 -3.446 -2.554 -3.714 90 H ASP 16 HN ASP 16 -1.082 -3.043 -7.037 91 HA ASP 16 HA ASP 16 1.338 -4.445 -6.292 92 HB2 ASP 16 HB2 ASP 16 2.143 -4.180 -8.598 93 HB3 ASP 16 HB1 ASP 16 0.588 -4.990 -8.542 94 H PHE 17 HN PHE 17 3.157 -3.633 -5.853 95 HA PHE 17 HA PHE 17 3.425 -0.716 -5.810 96 HB2 PHE 17 HB2 PHE 17 4.559 -2.866 -4.008 97 HB3 PHE 17 HB1 PHE 17 5.003 -1.172 -3.926 98 HD1 PHE 17 HD1 PHE 17 3.670 0.373 -2.796 99 HD2 PHE 17 HD2 PHE 17 2.247 -3.589 -3.409 100 HE1 PHE 17 HE1 PHE 17 1.893 0.769 -1.185 101 HE2 PHE 17 HE2 PHE 17 0.457 -3.201 -1.791 102 HZ PHE 17 HZ PHE 17 0.273 -1.020 -0.667 103 HA PRO 18 HA PRO 18 7.162 -1.418 -8.197 104 HB2 PRO 18 HB2 PRO 18 8.694 0.369 -6.416 105 HB3 PRO 18 HB1 PRO 18 8.325 0.560 -8.132 106 HG2 PRO 18 HG2 PRO 18 7.159 2.099 -6.269 107 HG3 PRO 18 HG1 PRO 18 6.286 1.567 -7.718 108 HD2 PRO 18 HD2 PRO 18 6.156 0.486 -4.926 109 HD3 PRO 18 HD1 PRO 18 4.839 0.790 -6.072 110 H TRP 19 HN TRP 19 9.415 -2.141 -7.976 111 HA TRP 19 HA TRP 19 9.797 -4.254 -6.157 112 HB2 TRP 19 HB2 TRP 19 10.833 -4.023 -8.442 113 HB3 TRP 19 HB1 TRP 19 11.853 -2.741 -7.818 114 HD1 TRP 19 HD1 TRP 19 11.491 -6.515 -7.912 115 HE1 TRP 19 HE1 TRP 19 13.633 -7.591 -6.964 116 HE3 TRP 19 3HE TRP 19 13.811 -2.324 -6.122 117 HZ2 TRP 19 HZ2 TRP 19 15.968 -6.791 -5.646 118 HZ3 TRP 19 HZ3 TRP 19 15.995 -2.573 -5.032 119 HH2 TRP 19 2HH TRP 19 17.050 -4.765 -4.802 120 HA PRO 20 HA PRO 20 11.193 -5.276 -4.981 121 HB2 PRO 20 HB2 PRO 20 12.188 -6.000 -2.646 122 HB3 PRO 20 HB1 PRO 20 13.217 -5.247 -3.871 123 HG2 PRO 20 HG2 PRO 20 12.154 -4.119 -1.345 124 HG3 PRO 20 HG1 PRO 20 13.633 -3.710 -2.225 125 HD2 PRO 20 HD2 PRO 20 11.102 -2.351 -2.300 126 HD3 PRO 20 HD1 PRO 20 12.572 -1.965 -3.215 127 H LEU 21 HN LEU 21 8.981 -3.472 -3.676 128 HA LEU 21 HA LEU 21 8.001 -5.290 -1.668 129 HB2 LEU 21 HB2 LEU 21 7.749 -2.861 -1.366 130 HB3 LEU 21 HB1 LEU 21 6.766 -2.778 -2.810 131 HG LEU 21 HG LEU 21 4.963 -3.964 -1.728 132 HD11 LEU 21 HD11 LEU 21 5.106 -4.721 0.565 133 HD12 LEU 21 HD12 LEU 21 6.765 -4.150 0.687 134 HD13 LEU 21 HD13 LEU 21 6.371 -5.506 -0.376 135 HD21 LEU 21 HD21 LEU 21 4.449 -2.406 0.060 136 HD22 LEU 21 HD22 LEU 21 5.120 -1.572 -1.341 137 HD23 LEU 21 HD23 LEU 21 6.124 -1.860 0.083 138 H GLY 22 HN GLY 22 7.006 -4.147 -4.857 139 HA2 GLY 22 HA2 GLY 22 6.084 -5.307 -6.583 140 HA3 GLY 22 HA1 GLY 22 6.319 -6.778 -5.653 141 H HIS 23 HN HIS 23 4.354 -7.531 -6.432 142 HA HIS 23 HA HIS 23 1.929 -6.088 -5.900 143 HB2 HIS 23 HB2 HIS 23 2.380 -7.619 -7.915 144 HB3 HIS 23 HB1 HIS 23 2.149 -8.954 -6.794 145 HD1 HIS 23 HD1 HIS 23 0.336 -7.043 -9.174 146 HD2 HIS 23 HD2 HIS 23 -0.540 -8.638 -5.452 147 HE1 HIS 23 HE1 HIS 23 -2.176 -7.133 -9.030 148 H GLN 24 HN GLN 24 1.009 -6.052 -4.014 149 HA GLN 24 HA GLN 24 1.476 -8.293 -2.191 150 HB2 GLN 24 HB2 GLN 24 1.100 -5.362 -1.619 151 HB3 GLN 24 HB1 GLN 24 1.037 -6.607 -0.381 152 HG2 GLN 24 HG2 GLN 24 3.397 -6.043 -2.159 153 HG3 GLN 24 HG1 GLN 24 3.216 -5.496 -0.491 154 HE21 GLN 24 1HE2 GLN 24 5.216 -7.257 -1.709 155 HE22 GLN 24 2HE2 GLN 24 5.162 -8.724 -0.814 156 H CYS 25 HN CYS 25 -0.208 -9.356 -1.518 157 HA CYS 25 HA CYS 25 -2.863 -8.194 -1.836 158 HB2 CYS 25 HB2 CYS 25 -1.982 -11.080 -1.564 159 HB3 CYS 25 HB1 CYS 25 -3.660 -10.544 -1.552 160 H PHE 26 HN PHE 26 -3.934 -7.679 -0.093 161 HA PHE 26 HA PHE 26 -2.564 -8.102 2.442 162 HB2 PHE 26 HB2 PHE 26 -4.891 -6.289 1.784 163 HB3 PHE 26 HB1 PHE 26 -3.984 -6.304 3.290 164 HD1 PHE 26 HD1 PHE 26 -1.489 -5.746 3.164 165 HD2 PHE 26 HD2 PHE 26 -4.219 -4.935 0.006 166 HE1 PHE 26 HE1 PHE 26 0.078 -4.094 2.239 167 HE2 PHE 26 HE2 PHE 26 -2.657 -3.283 -0.928 168 HZ PHE 26 HZ PHE 26 -0.503 -2.862 0.191 169 HA PRO 27 HA PRO 27 -5.645 -11.377 3.019 170 HB2 PRO 27 HB2 PRO 27 -4.478 -12.492 5.194 171 HB3 PRO 27 HB1 PRO 27 -3.925 -12.807 3.548 172 HG2 PRO 27 HG2 PRO 27 -2.808 -10.972 5.616 173 HG3 PRO 27 HG1 PRO 27 -1.952 -12.003 4.458 174 HD2 PRO 27 HD2 PRO 27 -2.279 -9.319 4.127 175 HD3 PRO 27 HD1 PRO 27 -2.128 -10.450 2.770 176 H ASP 28 HN ASP 28 -4.534 -9.125 5.452 177 HA ASP 28 HA ASP 28 -7.038 -9.547 6.943 178 HB2 ASP 28 HB2 ASP 28 -4.541 -8.047 7.775 179 HB3 ASP 28 HB1 ASP 28 -5.997 -8.208 8.739 180 H1 GLY 1 HN GLY 1 7.329 7.685 2.743 181 HA2 GLY 1 HA2 GLY 1 8.457 5.826 1.758 182 HA3 GLY 1 HA1 GLY 1 9.347 5.621 3.267 183 H PHE 2 HN PHE 2 8.005 3.498 2.044 184 HA PHE 2 HA PHE 2 5.948 2.948 4.044 185 HB2 PHE 2 HB2 PHE 2 4.761 3.607 1.982 186 HB3 PHE 2 HB1 PHE 2 5.668 2.408 1.074 187 HD1 PHE 2 HD1 PHE 2 4.844 0.227 0.860 188 HD2 PHE 2 HD2 PHE 2 3.250 2.779 3.861 189 HE1 PHE 2 HE1 PHE 2 3.102 -1.442 1.353 190 HE2 PHE 2 HE2 PHE 2 1.514 1.114 4.355 191 HZ PHE 2 HZ PHE 2 1.440 -0.997 3.100 192 H CYS 3 HN CYS 3 5.913 0.753 4.662 193 HA CYS 3 HA CYS 3 7.663 -1.030 3.234 194 HB2 CYS 3 HB2 CYS 3 9.065 0.148 4.902 195 HB3 CYS 3 HB1 CYS 3 8.009 -0.444 6.179 196 H TRP 4 HN TRP 4 6.989 -3.063 3.319 197 HA TRP 4 HA TRP 4 5.114 -3.981 5.308 198 HB2 TRP 4 HB2 TRP 4 3.718 -2.919 3.489 199 HB3 TRP 4 HB1 TRP 4 4.450 -4.018 2.335 200 HD1 TRP 4 HD1 TRP 4 3.712 -6.658 2.555 201 HE1 TRP 4 HE1 TRP 4 1.586 -7.725 3.517 202 HE3 TRP 4 3HE TRP 4 1.956 -2.668 5.220 203 HZ2 TRP 4 HZ2 TRP 4 -0.576 -6.963 5.178 204 HZ3 TRP 4 HZ3 TRP 4 -0.154 -2.918 6.461 205 HH2 TRP 4 2HH TRP 4 -1.391 -5.018 6.437 206 H HIS 5 HN HIS 5 5.438 -6.143 5.594 207 HA HIS 5 HA HIS 5 6.342 -8.221 5.492 208 HB2 HIS 5 HB2 HIS 5 5.065 -8.247 3.309 209 HB3 HIS 5 HB1 HIS 5 6.531 -7.736 2.490 210 HD1 HIS 5 HD1 HIS 5 7.455 -9.722 1.260 211 HD2 HIS 5 HD2 HIS 5 5.849 -10.756 4.942 212 HE1 HIS 5 HE1 HIS 5 7.797 -12.204 1.493 213 H HIS 6 HN HIS 6 7.990 -5.796 5.691 214 HA HIS 6 HA HIS 6 10.075 -5.214 6.147 215 HB2 HIS 6 HB2 HIS 6 10.882 -8.053 5.453 216 HB3 HIS 6 HB1 HIS 6 11.974 -6.826 6.086 217 HD1 HIS 6 HD1 HIS 6 11.871 -6.353 8.628 218 HD2 HIS 6 HD2 HIS 6 9.017 -9.046 7.276 219 HE1 HIS 6 HE1 HIS 6 10.869 -7.394 10.686 220 H SER 7 HN SER 7 8.912 -5.510 3.277 221 HA SER 7 HA SER 7 11.367 -4.728 1.926 222 HB2 SER 7 HB2 SER 7 8.567 -5.174 0.844 223 HB3 SER 7 HB1 SER 7 10.022 -4.900 -0.120 224 HG SER 7 HG SER 7 10.696 -6.835 1.358 225 H CYS 8 HN CYS 8 11.809 -2.641 2.153 226 HA CYS 8 HA CYS 8 9.576 -0.800 2.669 227 HB2 CYS 8 HB2 CYS 8 12.481 -0.402 3.347 228 HB3 CYS 8 HB1 CYS 8 11.128 0.575 3.888 229 H VAL 9 HN VAL 9 9.108 0.538 1.060 230 HA VAL 9 HA VAL 9 11.092 0.970 -0.994 231 HB VAL 9 HB VAL 9 9.250 2.166 -2.257 232 HG11 VAL 9 HG11 VAL 9 8.669 -0.668 -1.404 233 HG12 VAL 9 HG12 VAL 9 9.744 -0.168 -2.709 234 HG13 VAL 9 3HG1 VAL 9 8.010 0.122 -2.836 235 HG21 VAL 9 HG21 VAL 9 7.842 2.820 -0.351 236 HG22 VAL 9 HG22 VAL 9 7.498 1.119 -0.023 237 HG23 VAL 9 HG23 VAL 9 6.925 1.860 -1.514 238 HA PRO 10 HA PRO 10 12.777 4.651 0.711 239 HB2 PRO 10 HB2 PRO 10 12.770 5.560 -2.124 240 HB3 PRO 10 HB1 PRO 10 14.086 5.571 -0.947 241 HG2 PRO 10 HG2 PRO 10 13.993 3.732 -2.861 242 HG3 PRO 10 HG1 PRO 10 14.532 3.316 -1.227 243 HD2 PRO 10 HD2 PRO 10 11.963 2.698 -2.588 244 HD3 PRO 10 HD1 PRO 10 12.866 1.772 -1.368 245 H SER 11 HN SER 11 12.251 6.717 1.254 246 HA SER 11 HA SER 11 9.643 7.598 1.268 247 HB2 SER 11 HB2 SER 11 12.083 9.361 1.391 248 HB3 SER 11 HB1 SER 11 10.550 9.564 2.233 249 HG SER 11 HG SER 11 11.025 7.679 3.451 250 H GLY 12 HN GLY 12 8.415 8.678 -0.226 251 HA2 GLY 12 HA2 GLY 12 8.298 10.474 -1.847 252 HA3 GLY 12 HA1 GLY 12 9.815 9.884 -2.511 253 H THR 13 HN THR 13 8.664 7.094 -1.934 254 HA THR 13 HA THR 13 7.789 6.608 -4.561 255 HB THR 13 HB THR 13 7.652 4.803 -2.130 256 HG1 THR 13 HG1 THR 13 9.765 5.319 -2.584 257 HG21 THR 13 HG21 THR 13 7.551 2.953 -3.760 258 HG22 THR 13 HG22 THR 13 7.499 4.120 -5.080 259 HG23 THR 13 HG23 THR 13 6.160 4.026 -3.936 260 H CYS 14 HN CYS 14 5.881 6.754 -5.418 261 HA CYS 14 HA CYS 14 3.585 7.086 -3.674 262 HB2 CYS 14 HB2 CYS 14 3.866 7.655 -6.630 263 HB3 CYS 14 HB1 CYS 14 2.471 8.049 -5.636 264 H ALA 15 HN ALA 15 1.686 5.735 -3.980 265 HA ALA 15 HA ALA 15 2.097 3.500 -5.804 266 HB1 ALA 15 HB1 ALA 15 1.313 1.933 -4.128 267 HB2 ALA 15 HB2 ALA 15 1.146 3.243 -2.962 268 HB3 ALA 15 HB3 ALA 15 2.746 2.785 -3.552 269 H ASP 16 HN ASP 16 0.232 2.485 -6.481 270 HA ASP 16 HA ASP 16 -2.144 4.195 -6.456 271 HB2 ASP 16 HB2 ASP 16 -1.220 3.656 -8.659 272 HB3 ASP 16 HB1 ASP 16 -1.309 1.940 -8.293 273 H PHE 17 HN PHE 17 -4.004 3.492 -5.480 274 HA PHE 17 HA PHE 17 -4.198 0.656 -4.782 275 HB2 PHE 17 HB2 PHE 17 -4.872 3.061 -3.074 276 HB3 PHE 17 HB1 PHE 17 -5.389 1.428 -2.709 277 HD1 PHE 17 HD1 PHE 17 -3.848 -0.199 -1.908 278 HD2 PHE 17 HD2 PHE 17 -2.604 3.772 -2.756 279 HE1 PHE 17 HE1 PHE 17 -1.839 -0.571 -0.605 280 HE2 PHE 17 HE2 PHE 17 -0.564 3.420 -1.449 281 HZ PHE 17 HZ PHE 17 -0.170 1.243 -0.358 282 HA PRO 18 HA PRO 18 -8.368 1.312 -6.326 283 HB2 PRO 18 HB2 PRO 18 -9.751 -0.621 -5.098 284 HB3 PRO 18 HB1 PRO 18 -8.496 -1.028 -6.275 285 HG2 PRO 18 HG2 PRO 18 -8.393 -1.078 -3.292 286 HG3 PRO 18 HG1 PRO 18 -7.724 -2.238 -4.448 287 HD2 PRO 18 HD2 PRO 18 -6.299 -0.259 -3.185 288 HD3 PRO 18 HD1 PRO 18 -5.781 -1.017 -4.691 289 H TRP 19 HN TRP 19 -10.642 1.689 -5.496 290 HA TRP 19 HA TRP 19 -10.674 3.602 -3.392 291 HB2 TRP 19 HB2 TRP 19 -12.221 3.540 -5.396 292 HB3 TRP 19 HB1 TRP 19 -13.002 2.136 -4.689 293 HD1 TRP 19 HD1 TRP 19 -12.657 5.923 -4.241 294 HE1 TRP 19 HE1 TRP 19 -14.584 6.756 -2.753 295 HE3 TRP 19 3HE TRP 19 -14.646 1.426 -2.875 296 HZ2 TRP 19 HZ2 TRP 19 -16.676 5.664 -1.225 297 HZ3 TRP 19 HZ3 TRP 19 -16.611 1.402 -1.401 298 HH2 TRP 19 2HH TRP 19 -17.605 3.481 -0.590 299 HA PRO 20 HA PRO 20 -11.955 4.331 -1.799 300 HB2 PRO 20 HB2 PRO 20 -12.089 4.400 1.014 301 HB3 PRO 20 HB1 PRO 20 -13.447 4.405 -0.108 302 HG2 PRO 20 HG2 PRO 20 -12.823 2.345 1.690 303 HG3 PRO 20 HG1 PRO 20 -13.915 2.217 0.303 304 HD2 PRO 20 HD2 PRO 20 -11.043 1.424 0.541 305 HD3 PRO 20 HD1 PRO 20 -12.374 0.607 -0.311 306 H LEU 21 HN LEU 21 -9.348 2.546 -1.175 307 HA LEU 21 HA LEU 21 -7.820 4.064 0.695 308 HB2 LEU 21 HB2 LEU 21 -7.539 1.638 -0.481 309 HB3 LEU 21 HB1 LEU 21 -6.504 2.583 -1.519 310 HG LEU 21 HG LEU 21 -5.139 1.485 0.091 311 HD11 LEU 21 HD11 LEU 21 -5.374 4.356 0.903 312 HD12 LEU 21 HD12 LEU 21 -4.420 3.709 -0.431 313 HD13 LEU 21 HD13 LEU 21 -4.010 3.283 1.229 314 HD21 LEU 21 HD21 LEU 21 -6.792 0.982 1.767 315 HD22 LEU 21 HD22 LEU 21 -6.885 2.683 2.224 316 HD23 LEU 21 HD23 LEU 21 -5.401 1.774 2.502 317 H GLY 22 HN GLY 22 -7.879 3.878 -2.850 318 HA2 GLY 22 HA2 GLY 22 -7.860 5.616 -4.382 319 HA3 GLY 22 HA1 GLY 22 -7.546 6.746 -3.072 320 H HIS 23 HN HIS 23 -5.927 7.798 -4.180 321 HA HIS 23 HA HIS 23 -3.574 6.199 -4.810 322 HB2 HIS 23 HB2 HIS 23 -2.726 8.231 -6.014 323 HB3 HIS 23 HB1 HIS 23 -4.238 7.636 -6.668 324 HD1 HIS 23 HD1 HIS 23 -2.658 10.698 -5.318 325 HD2 HIS 23 HD2 HIS 23 -6.507 9.284 -5.979 326 HE1 HIS 23 HE1 HIS 23 -4.166 12.709 -5.264 327 H GLN 24 HN GLN 24 -1.938 6.142 -3.421 328 HA GLN 24 HA GLN 24 -1.750 8.336 -1.501 329 HB2 GLN 24 HB2 GLN 24 -1.414 5.397 -0.897 330 HB3 GLN 24 HB1 GLN 24 -1.037 6.702 0.218 331 HG2 GLN 24 HG2 GLN 24 -3.748 6.040 -0.903 332 HG3 GLN 24 HG1 GLN 24 -3.181 5.706 0.731 333 HE21 GLN 24 1HE2 GLN 24 -5.437 7.269 -0.199 334 HE22 GLN 24 2HE2 GLN 24 -5.230 8.857 0.438 335 H CYS 25 HN CYS 25 0.174 9.183 -1.338 336 HA CYS 25 HA CYS 25 2.343 7.623 -2.440 337 HB2 CYS 25 HB2 CYS 25 1.859 9.632 -3.810 338 HB3 CYS 25 HB1 CYS 25 2.112 10.650 -2.398 339 H PHE 26 HN PHE 26 4.337 7.663 -1.263 340 HA PHE 26 HA PHE 26 3.787 8.264 1.550 341 HB2 PHE 26 HB2 PHE 26 5.629 6.151 0.440 342 HB3 PHE 26 HB1 PHE 26 5.135 6.355 2.117 343 HD1 PHE 26 HD1 PHE 26 2.627 6.102 2.623 344 HD2 PHE 26 HD2 PHE 26 4.445 4.758 -0.975 345 HE1 PHE 26 HE1 PHE 26 0.734 4.585 2.232 346 HE2 PHE 26 HE2 PHE 26 2.559 3.240 -1.366 347 HZ PHE 26 HZ PHE 26 0.696 3.155 0.241 348 HA PRO 27 HA PRO 27 7.348 11.031 0.545 349 HB2 PRO 27 HB2 PRO 27 6.313 12.497 2.887 350 HB3 PRO 27 HB1 PRO 27 6.614 13.082 1.247 351 HG2 PRO 27 HG2 PRO 27 4.116 12.770 2.135 352 HG3 PRO 27 HG1 PRO 27 4.554 12.361 0.468 353 HD2 PRO 27 HD2 PRO 27 4.223 10.550 2.825 354 HD3 PRO 27 HD1 PRO 27 3.581 10.374 1.175 355 H ASP 28 HN ASP 28 6.317 9.450 3.442 356 HA ASP 28 HA ASP 28 8.898 9.869 4.772 357 HB2 ASP 28 HB2 ASP 28 6.810 10.033 6.104 358 HB3 ASP 28 HB1 ASP 28 6.433 8.371 5.695 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 -6.156 -7.630 4.377 2 HA2 GLY 1 HA2 GLY 1 -7.159 -5.753 3.412 3 HA3 GLY 1 HA1 GLY 1 -7.925 -5.397 4.957 4 H PHE 2 HN PHE 2 -6.954 -3.287 3.899 5 HA PHE 2 HA PHE 2 -4.513 -2.784 5.398 6 HB2 PHE 2 HB2 PHE 2 -3.811 -3.272 3.088 7 HB3 PHE 2 HB1 PHE 2 -4.920 -2.056 2.485 8 HD1 PHE 2 HD1 PHE 2 -4.108 0.054 2.045 9 HD2 PHE 2 HD2 PHE 2 -2.030 -2.429 4.801 10 HE1 PHE 2 HE1 PHE 2 -2.319 1.728 2.199 11 HE2 PHE 2 HE2 PHE 2 -0.239 -0.757 4.962 12 HZ PHE 2 HZ PHE 2 -0.383 1.324 3.657 13 H CYS 3 HN CYS 3 -4.510 -0.791 6.306 14 HA CYS 3 HA CYS 3 -6.668 1.035 5.583 15 HB2 CYS 3 HB2 CYS 3 -5.752 0.298 8.368 16 HB3 CYS 3 HB1 CYS 3 -6.875 1.598 7.991 17 H TRP 4 HN TRP 4 -5.980 3.003 5.224 18 HA TRP 4 HA TRP 4 -3.503 3.943 6.410 19 HB2 TRP 4 HB2 TRP 4 -2.965 2.800 4.246 20 HB3 TRP 4 HB1 TRP 4 -4.064 3.889 3.429 21 HD1 TRP 4 HD1 TRP 4 -3.161 6.340 2.922 22 HE1 TRP 4 HE1 TRP 4 -0.812 7.354 2.937 23 HE3 TRP 4 3HE TRP 4 -0.740 2.694 5.544 24 HZ2 TRP 4 HZ2 TRP 4 1.749 6.704 3.944 25 HZ3 TRP 4 HZ3 TRP 4 1.664 2.959 5.987 26 HH2 TRP 4 2HH TRP 4 2.882 4.920 5.203 27 H HIS 5 HN HIS 5 -3.883 6.003 7.047 28 HA HIS 5 HA HIS 5 -4.919 7.951 7.450 29 HB2 HIS 5 HB2 HIS 5 -5.416 7.755 4.475 30 HB3 HIS 5 HB1 HIS 5 -5.929 9.155 5.405 31 HD1 HIS 5 HD1 HIS 5 -3.472 8.732 3.112 32 HD2 HIS 5 HD2 HIS 5 -3.242 9.583 7.182 33 HE1 HIS 5 HE1 HIS 5 -1.303 9.947 3.463 34 H HIS 6 HN HIS 6 -6.368 5.612 7.983 35 HA HIS 6 HA HIS 6 -8.318 4.932 8.814 36 HB2 HIS 6 HB2 HIS 6 -9.220 7.754 8.260 37 HB3 HIS 6 HB1 HIS 6 -10.345 6.543 8.856 38 HD1 HIS 6 HD1 HIS 6 -10.705 7.170 11.268 39 HD2 HIS 6 HD2 HIS 6 -6.711 7.328 10.156 40 HE1 HIS 6 HE1 HIS 6 -9.421 7.690 13.364 41 H SER 7 HN SER 7 -7.871 5.517 5.647 42 HA SER 7 HA SER 7 -10.465 4.517 4.871 43 HB2 SER 7 HB2 SER 7 -8.033 5.247 3.232 44 HB3 SER 7 HB1 SER 7 -9.616 4.817 2.575 45 HG SER 7 HG SER 7 -10.277 6.630 4.122 46 H CYS 8 HN CYS 8 -10.813 2.416 4.766 47 HA CYS 8 HA CYS 8 -8.490 0.649 4.684 48 HB2 CYS 8 HB2 CYS 8 -11.233 0.174 5.835 49 HB3 CYS 8 HB1 CYS 8 -9.946 -1.027 5.757 50 H VAL 9 HN VAL 9 -8.332 -0.861 3.236 51 HA VAL 9 HA VAL 9 -10.478 -1.110 1.273 52 HB VAL 9 HB VAL 9 -8.735 -2.002 -0.299 53 HG11 VAL 9 HG11 VAL 9 -8.198 0.726 0.856 54 HG12 VAL 9 HG12 VAL 9 -9.315 0.333 -0.455 55 HG13 VAL 9 3HG1 VAL 9 -7.573 0.161 -0.686 56 HG21 VAL 9 HG21 VAL 9 -6.353 -1.698 0.236 57 HG22 VAL 9 HG22 VAL 9 -7.120 -2.829 1.355 58 HG23 VAL 9 HG23 VAL 9 -6.793 -1.170 1.859 59 HA PRO 10 HA PRO 10 -11.512 -5.040 2.819 60 HB2 PRO 10 HB2 PRO 10 -12.003 -6.413 0.465 61 HB3 PRO 10 HB1 PRO 10 -13.145 -5.334 1.272 62 HG2 PRO 10 HG2 PRO 10 -11.311 -4.784 -1.022 63 HG3 PRO 10 HG1 PRO 10 -12.986 -4.255 -0.777 64 HD2 PRO 10 HD2 PRO 10 -10.942 -2.590 -0.376 65 HD3 PRO 10 HD1 PRO 10 -12.361 -2.566 0.692 66 H SER 11 HN SER 11 -10.860 -7.168 3.111 67 HA SER 11 HA SER 11 -8.132 -7.758 2.806 68 HB2 SER 11 HB2 SER 11 -10.443 -9.601 3.414 69 HB3 SER 11 HB1 SER 11 -8.755 -9.785 3.900 70 HG SER 11 HG SER 11 -10.346 -8.868 5.455 71 H GLY 12 HN GLY 12 -7.138 -8.589 1.095 72 HA2 GLY 12 HA2 GLY 12 -7.099 -10.305 -0.632 73 HA3 GLY 12 HA1 GLY 12 -8.779 -9.905 -0.972 74 H THR 13 HN THR 13 -7.523 -7.035 -0.332 75 HA THR 13 HA THR 13 -7.315 -6.206 -3.034 76 HB THR 13 HB THR 13 -6.475 -4.780 -0.496 77 HG1 THR 13 HG1 THR 13 -8.589 -4.960 -0.302 78 HG21 THR 13 HG21 THR 13 -6.666 -2.717 -1.829 79 HG22 THR 13 HG22 THR 13 -7.014 -3.677 -3.264 80 HG23 THR 13 HG23 THR 13 -5.433 -3.790 -2.493 81 H CYS 14 HN CYS 14 -5.603 -6.388 -4.337 82 HA CYS 14 HA CYS 14 -2.959 -6.642 -3.115 83 HB2 CYS 14 HB2 CYS 14 -3.864 -7.522 -5.851 84 HB3 CYS 14 HB1 CYS 14 -2.291 -7.823 -5.112 85 H ALA 15 HN ALA 15 -1.438 -5.228 -3.656 86 HA ALA 15 HA ALA 15 -2.111 -3.236 -5.684 87 HB1 ALA 15 HB1 ALA 15 -0.789 -2.705 -3.020 88 HB2 ALA 15 HB2 ALA 15 -2.437 -2.257 -3.460 89 HB3 ALA 15 HB3 ALA 15 -1.070 -1.511 -4.287 90 H ASP 16 HN ASP 16 -0.420 -2.507 -6.879 91 HA ASP 16 HA ASP 16 1.868 -4.318 -6.946 92 HB2 ASP 16 HB2 ASP 16 1.148 -2.136 -8.916 93 HB3 ASP 16 HB1 ASP 16 2.327 -3.418 -9.146 94 H PHE 17 HN PHE 17 3.484 -3.688 -5.647 95 HA PHE 17 HA PHE 17 4.138 -0.849 -5.538 96 HB2 PHE 17 HB2 PHE 17 4.926 -3.159 -3.733 97 HB3 PHE 17 HB1 PHE 17 5.513 -1.521 -3.555 98 HD1 PHE 17 HD1 PHE 17 3.962 0.285 -2.945 99 HD2 PHE 17 HD2 PHE 17 2.797 -3.802 -2.929 100 HE1 PHE 17 HE1 PHE 17 2.069 0.843 -1.512 101 HE2 PHE 17 HE2 PHE 17 0.887 -3.258 -1.491 102 HZ PHE 17 HZ PHE 17 0.515 -0.932 -0.774 103 HA PRO 18 HA PRO 18 7.793 -1.831 -7.800 104 HB2 PRO 18 HB2 PRO 18 9.597 -0.045 -6.879 105 HB3 PRO 18 HB1 PRO 18 8.230 0.434 -7.889 106 HG2 PRO 18 HG2 PRO 18 8.610 0.725 -4.955 107 HG3 PRO 18 HG1 PRO 18 7.779 1.795 -6.092 108 HD2 PRO 18 HD2 PRO 18 6.565 -0.014 -4.385 109 HD3 PRO 18 HD1 PRO 18 5.789 0.700 -5.798 110 H TRP 19 HN TRP 19 10.129 -2.397 -7.539 111 HA TRP 19 HA TRP 19 10.552 -4.437 -5.670 112 HB2 TRP 19 HB2 TRP 19 11.757 -4.110 -7.867 113 HB3 TRP 19 HB1 TRP 19 12.646 -2.791 -7.128 114 HD1 TRP 19 HD1 TRP 19 12.364 -6.605 -7.078 115 HE1 TRP 19 HE1 TRP 19 14.486 -7.582 -6.008 116 HE3 TRP 19 3HE TRP 19 14.551 -2.262 -5.521 117 HZ2 TRP 19 HZ2 TRP 19 16.790 -6.636 -4.680 118 HZ3 TRP 19 HZ3 TRP 19 16.703 -2.381 -4.357 119 HH2 TRP 19 2HH TRP 19 17.807 -4.523 -3.944 120 HA PRO 20 HA PRO 20 12.044 -5.366 -4.459 121 HB2 PRO 20 HB2 PRO 20 12.772 -6.120 -2.026 122 HB3 PRO 20 HB1 PRO 20 13.890 -5.253 -3.085 123 HG2 PRO 20 HG2 PRO 20 12.331 -4.243 -0.753 124 HG3 PRO 20 HG1 PRO 20 13.965 -3.813 -1.281 125 HD2 PRO 20 HD2 PRO 20 11.613 -2.365 -1.808 126 HD3 PRO 20 HD1 PRO 20 13.180 -2.141 -2.605 127 H LEU 21 HN LEU 21 9.631 -3.675 -3.153 128 HA LEU 21 HA LEU 21 8.494 -5.606 -1.372 129 HB2 LEU 21 HB2 LEU 21 8.159 -3.170 -1.090 130 HB3 LEU 21 HB1 LEU 21 7.259 -3.143 -2.590 131 HG LEU 21 HG LEU 21 5.450 -4.396 -1.598 132 HD11 LEU 21 HD11 LEU 21 7.128 -4.465 0.902 133 HD12 LEU 21 HD12 LEU 21 6.848 -5.844 -0.168 134 HD13 LEU 21 HD13 LEU 21 5.504 -5.123 0.703 135 HD21 LEU 21 HD21 LEU 21 4.762 -2.833 0.135 136 HD22 LEU 21 HD22 LEU 21 5.481 -1.987 -1.234 137 HD23 LEU 21 HD23 LEU 21 6.410 -2.218 0.247 138 H GLY 22 HN GLY 22 7.696 -4.424 -4.608 139 HA2 GLY 22 HA2 GLY 22 6.881 -5.594 -6.403 140 HA3 GLY 22 HA1 GLY 22 6.991 -7.060 -5.439 141 H HIS 23 HN HIS 23 5.029 -7.818 -6.114 142 HA HIS 23 HA HIS 23 2.662 -6.179 -5.822 143 HB2 HIS 23 HB2 HIS 23 2.852 -9.118 -6.579 144 HB3 HIS 23 HB1 HIS 23 1.485 -8.036 -6.804 145 HD1 HIS 23 HD1 HIS 23 1.607 -6.348 -8.874 146 HD2 HIS 23 HD2 HIS 23 4.829 -8.963 -8.508 147 HE1 HIS 23 HE1 HIS 23 2.836 -6.246 -11.030 148 H GLN 24 HN GLN 24 1.480 -6.146 -3.990 149 HA GLN 24 HA GLN 24 1.877 -8.342 -2.067 150 HB2 GLN 24 HB2 GLN 24 1.620 -5.395 -1.479 151 HB3 GLN 24 HB1 GLN 24 1.529 -6.648 -0.255 152 HG2 GLN 24 HG2 GLN 24 3.903 -6.180 -2.039 153 HG3 GLN 24 HG1 GLN 24 3.723 -5.515 -0.418 154 HE21 GLN 24 1HE2 GLN 24 4.257 -8.370 -2.281 155 HE22 GLN 24 2HE2 GLN 24 4.764 -9.389 -0.988 156 H CYS 25 HN CYS 25 0.117 -9.247 -1.308 157 HA CYS 25 HA CYS 25 -2.487 -7.993 -1.824 158 HB2 CYS 25 HB2 CYS 25 -1.733 -10.903 -1.467 159 HB3 CYS 25 HB1 CYS 25 -3.389 -10.313 -1.560 160 H PHE 26 HN PHE 26 -3.623 -7.373 -0.125 161 HA PHE 26 HA PHE 26 -2.452 -7.823 2.508 162 HB2 PHE 26 HB2 PHE 26 -4.719 -5.986 1.701 163 HB3 PHE 26 HB1 PHE 26 -3.896 -5.997 3.255 164 HD1 PHE 26 HD1 PHE 26 -1.404 -5.451 3.275 165 HD2 PHE 26 HD2 PHE 26 -3.929 -4.671 -0.054 166 HE1 PHE 26 HE1 PHE 26 0.229 -3.825 2.420 167 HE2 PHE 26 HE2 PHE 26 -2.303 -3.049 -0.917 168 HZ PHE 26 HZ PHE 26 -0.216 -2.622 0.325 169 HA PRO 27 HA PRO 27 -5.542 -11.087 2.788 170 HB2 PRO 27 HB2 PRO 27 -4.572 -12.277 5.019 171 HB3 PRO 27 HB1 PRO 27 -3.841 -12.495 3.426 172 HG2 PRO 27 HG2 PRO 27 -3.005 -10.700 5.664 173 HG3 PRO 27 HG1 PRO 27 -2.002 -11.697 4.597 174 HD2 PRO 27 HD2 PRO 27 -2.319 -9.022 4.251 175 HD3 PRO 27 HD1 PRO 27 -2.036 -10.130 2.907 176 H ASP 28 HN ASP 28 -4.733 -8.921 5.454 177 HA ASP 28 HA ASP 28 -7.407 -9.460 6.559 178 HB2 ASP 28 HB2 ASP 28 -5.424 -9.815 8.079 179 HB3 ASP 28 HB1 ASP 28 -5.049 -8.106 7.914 180 H1 GLY 1 HN GLY 1 7.317 7.628 2.381 181 HA2 GLY 1 HA2 GLY 1 7.990 5.734 1.243 182 HA3 GLY 1 HA1 GLY 1 9.127 5.391 2.545 183 H PHE 2 HN PHE 2 8.029 3.220 1.836 184 HA PHE 2 HA PHE 2 6.038 2.672 3.867 185 HB2 PHE 2 HB2 PHE 2 4.739 3.207 1.827 186 HB3 PHE 2 HB1 PHE 2 5.645 1.994 0.939 187 HD1 PHE 2 HD1 PHE 2 4.735 -0.114 0.718 188 HD2 PHE 2 HD2 PHE 2 3.498 2.339 3.964 189 HE1 PHE 2 HE1 PHE 2 3.068 -1.802 1.354 190 HE2 PHE 2 HE2 PHE 2 1.830 0.654 4.605 191 HZ PHE 2 HZ PHE 2 1.614 -1.421 3.297 192 H CYS 3 HN CYS 3 6.173 0.544 4.581 193 HA CYS 3 HA CYS 3 7.931 -1.223 3.148 194 HB2 CYS 3 HB2 CYS 3 9.327 0.056 4.821 195 HB3 CYS 3 HB1 CYS 3 8.309 -0.617 6.089 196 H TRP 4 HN TRP 4 7.343 -3.324 3.401 197 HA TRP 4 HA TRP 4 5.328 -4.034 5.354 198 HB2 TRP 4 HB2 TRP 4 4.224 -2.954 3.311 199 HB3 TRP 4 HB1 TRP 4 4.820 -4.316 2.386 200 HD1 TRP 4 HD1 TRP 4 3.425 -6.514 2.485 201 HE1 TRP 4 HE1 TRP 4 1.179 -7.132 3.534 202 HE3 TRP 4 3HE TRP 4 2.806 -2.431 5.490 203 HZ2 TRP 4 HZ2 TRP 4 -0.641 -6.027 5.417 204 HZ3 TRP 4 HZ3 TRP 4 0.775 -2.289 6.880 205 HH2 TRP 4 2HH TRP 4 -0.900 -4.047 6.840 206 H HIS 5 HN HIS 5 5.648 -6.172 5.873 207 HA HIS 5 HA HIS 5 6.681 -8.174 6.042 208 HB2 HIS 5 HB2 HIS 5 6.370 -8.006 3.054 209 HB3 HIS 5 HB1 HIS 5 7.143 -9.397 3.808 210 HD1 HIS 5 HD1 HIS 5 3.967 -8.477 2.543 211 HD2 HIS 5 HD2 HIS 5 5.290 -10.407 5.980 212 HE1 HIS 5 HE1 HIS 5 2.012 -9.794 3.412 213 H HIS 6 HN HIS 6 8.269 -5.842 6.047 214 HA HIS 6 HA HIS 6 10.398 -5.257 6.412 215 HB2 HIS 6 HB2 HIS 6 11.131 -8.114 5.707 216 HB3 HIS 6 HB1 HIS 6 12.266 -6.919 6.318 217 HD1 HIS 6 HD1 HIS 6 12.248 -6.504 8.869 218 HD2 HIS 6 HD2 HIS 6 9.250 -9.041 7.550 219 HE1 HIS 6 HE1 HIS 6 11.255 -7.532 10.930 220 H SER 7 HN SER 7 9.126 -5.794 3.567 221 HA SER 7 HA SER 7 11.521 -5.119 2.060 222 HB2 SER 7 HB2 SER 7 8.714 -5.740 1.126 223 HB3 SER 7 HB1 SER 7 10.145 -5.568 0.100 224 HG SER 7 HG SER 7 10.122 -7.438 2.206 225 H CYS 8 HN CYS 8 11.909 -3.006 1.968 226 HA CYS 8 HA CYS 8 9.678 -1.165 2.418 227 HB2 CYS 8 HB2 CYS 8 12.614 -0.645 2.813 228 HB3 CYS 8 HB1 CYS 8 11.269 0.341 3.367 229 H VAL 9 HN VAL 9 9.372 0.550 1.068 230 HA VAL 9 HA VAL 9 11.139 0.696 -1.232 231 HB VAL 9 HB VAL 9 9.218 1.619 -2.546 232 HG11 VAL 9 HG11 VAL 9 8.038 -0.515 -2.858 233 HG12 VAL 9 HG12 VAL 9 8.781 -1.113 -1.374 234 HG13 VAL 9 3HG1 VAL 9 9.788 -0.713 -2.764 235 HG21 VAL 9 HG21 VAL 9 7.561 0.796 -0.153 236 HG22 VAL 9 HG22 VAL 9 6.916 1.319 -1.709 237 HG23 VAL 9 HG23 VAL 9 7.828 2.448 -0.707 238 HA PRO 10 HA PRO 10 12.377 4.630 0.106 239 HB2 PRO 10 HB2 PRO 10 12.316 5.663 -2.648 240 HB3 PRO 10 HB1 PRO 10 13.687 5.453 -1.557 241 HG2 PRO 10 HG2 PRO 10 13.330 3.851 -3.673 242 HG3 PRO 10 HG1 PRO 10 13.981 3.238 -2.143 243 HD2 PRO 10 HD2 PRO 10 11.218 2.998 -3.259 244 HD3 PRO 10 HD1 PRO 10 12.215 1.787 -2.422 245 H SER 11 HN SER 11 11.793 6.702 0.598 246 HA SER 11 HA SER 11 9.147 7.512 0.599 247 HB2 SER 11 HB2 SER 11 11.619 9.243 0.730 248 HB3 SER 11 HB1 SER 11 10.039 9.579 1.447 249 HG SER 11 HG SER 11 11.396 8.753 3.027 250 H GLY 12 HN GLY 12 7.919 8.572 -0.866 251 HA2 GLY 12 HA2 GLY 12 7.778 10.234 -2.631 252 HA3 GLY 12 HA1 GLY 12 9.247 9.539 -3.312 253 H THR 13 HN THR 13 7.869 6.886 -2.288 254 HA THR 13 HA THR 13 6.930 6.033 -4.761 255 HB THR 13 HB THR 13 5.886 4.222 -3.098 256 HG1 THR 13 HG1 THR 13 8.061 4.992 -1.546 257 HG21 THR 13 HG21 THR 13 8.023 3.051 -3.216 258 HG22 THR 13 HG22 THR 13 8.838 4.555 -3.662 259 HG23 THR 13 HG23 THR 13 7.648 3.830 -4.751 260 H CYS 14 HN CYS 14 4.856 5.607 -5.506 261 HA CYS 14 HA CYS 14 2.608 6.482 -3.862 262 HB2 CYS 14 HB2 CYS 14 2.989 7.223 -6.773 263 HB3 CYS 14 HB1 CYS 14 1.580 7.591 -5.794 264 H ALA 15 HN ALA 15 0.874 5.167 -4.045 265 HA ALA 15 HA ALA 15 1.071 3.020 -6.042 266 HB1 ALA 15 HB1 ALA 15 0.314 2.676 -3.148 267 HB2 ALA 15 HB2 ALA 15 1.839 2.187 -3.882 268 HB3 ALA 15 HB3 ALA 15 0.333 1.404 -4.370 269 H ASP 16 HN ASP 16 -0.878 1.995 -6.567 270 HA ASP 16 HA ASP 16 -3.214 3.760 -6.465 271 HB2 ASP 16 HB2 ASP 16 -2.455 3.106 -8.696 272 HB3 ASP 16 HB1 ASP 16 -2.551 1.408 -8.255 273 H PHE 17 HN PHE 17 -4.534 3.283 -4.829 274 HA PHE 17 HA PHE 17 -5.098 0.466 -4.272 275 HB2 PHE 17 HB2 PHE 17 -5.430 2.906 -2.499 276 HB3 PHE 17 HB1 PHE 17 -5.930 1.280 -2.079 277 HD1 PHE 17 HD1 PHE 17 -4.267 -0.453 -1.650 278 HD2 PHE 17 HD2 PHE 17 -3.153 3.594 -2.336 279 HE1 PHE 17 HE1 PHE 17 -2.087 -0.894 -0.649 280 HE2 PHE 17 HE2 PHE 17 -0.958 3.166 -1.336 281 HZ PHE 17 HZ PHE 17 -0.413 0.921 -0.485 282 HA PRO 18 HA PRO 18 -9.302 1.315 -5.561 283 HB2 PRO 18 HB2 PRO 18 -10.298 -0.164 -3.207 284 HB3 PRO 18 HB1 PRO 18 -10.528 -0.516 -4.923 285 HG2 PRO 18 HG2 PRO 18 -8.926 -2.019 -3.400 286 HG3 PRO 18 HG1 PRO 18 -8.529 -1.661 -5.090 287 HD2 PRO 18 HD2 PRO 18 -7.416 -0.436 -2.591 288 HD3 PRO 18 HD1 PRO 18 -6.595 -0.913 -4.082 289 H TRP 19 HN TRP 19 -11.218 2.425 -4.952 290 HA TRP 19 HA TRP 19 -10.928 4.617 -3.208 291 HB2 TRP 19 HB2 TRP 19 -12.438 4.423 -5.251 292 HB3 TRP 19 HB1 TRP 19 -13.505 3.413 -4.291 293 HD1 TRP 19 HD1 TRP 19 -12.310 7.038 -4.638 294 HE1 TRP 19 HE1 TRP 19 -14.012 8.584 -3.480 295 HE3 TRP 19 3HE TRP 19 -15.326 3.511 -2.501 296 HZ2 TRP 19 HZ2 TRP 19 -16.313 8.355 -1.895 297 HZ3 TRP 19 HZ3 TRP 19 -17.265 4.261 -1.182 298 HH2 TRP 19 2HH TRP 19 -17.745 6.633 -0.885 299 HA PRO 20 HA PRO 20 -12.049 5.877 -1.844 300 HB2 PRO 20 HB2 PRO 20 -12.210 6.615 0.811 301 HB3 PRO 20 HB1 PRO 20 -13.584 6.408 -0.275 302 HG2 PRO 20 HG2 PRO 20 -12.915 4.821 2.008 303 HG3 PRO 20 HG1 PRO 20 -14.248 4.571 0.873 304 HD2 PRO 20 HD2 PRO 20 -11.577 3.280 0.979 305 HD3 PRO 20 HD1 PRO 20 -13.113 2.652 0.346 306 H LEU 21 HN LEU 21 -9.716 3.912 -1.078 307 HA LEU 21 HA LEU 21 -8.049 5.763 0.396 308 HB2 LEU 21 HB2 LEU 21 -7.923 3.302 0.824 309 HB3 LEU 21 HB1 LEU 21 -7.349 3.087 -0.816 310 HG LEU 21 HG LEU 21 -5.272 4.218 -0.302 311 HD11 LEU 21 HD11 LEU 21 -6.215 5.863 1.315 312 HD12 LEU 21 HD12 LEU 21 -4.768 5.054 1.891 313 HD13 LEU 21 HD13 LEU 21 -6.342 4.553 2.499 314 HD21 LEU 21 HD21 LEU 21 -4.368 2.666 1.347 315 HD22 LEU 21 HD22 LEU 21 -5.426 1.838 0.206 316 HD23 LEU 21 HD23 LEU 21 -6.003 2.215 1.829 317 H GLY 22 HN GLY 22 -8.044 4.157 -2.751 318 HA2 GLY 22 HA2 GLY 22 -7.500 4.919 -4.827 319 HA3 GLY 22 HA1 GLY 22 -7.584 6.541 -4.167 320 H HIS 23 HN HIS 23 -5.884 7.262 -5.298 321 HA HIS 23 HA HIS 23 -3.304 6.046 -5.286 322 HB2 HIS 23 HB2 HIS 23 -4.260 8.793 -6.082 323 HB3 HIS 23 HB1 HIS 23 -2.582 8.300 -6.210 324 HD1 HIS 23 HD1 HIS 23 -1.940 7.002 -8.312 325 HD2 HIS 23 HD2 HIS 23 -6.044 7.404 -7.819 326 HE1 HIS 23 HE1 HIS 23 -2.979 6.200 -10.449 327 H GLN 24 HN GLN 24 -1.958 6.062 -3.651 328 HA GLN 24 HA GLN 24 -1.965 8.358 -1.813 329 HB2 GLN 24 HB2 GLN 24 -1.560 5.438 -1.157 330 HB3 GLN 24 HB1 GLN 24 -1.199 6.744 -0.043 331 HG2 GLN 24 HG2 GLN 24 -3.915 6.173 -1.205 332 HG3 GLN 24 HG1 GLN 24 -3.357 5.635 0.378 333 HE21 GLN 24 1HE2 GLN 24 -4.387 8.326 -1.512 334 HE22 GLN 24 2HE2 GLN 24 -4.596 9.433 -0.201 335 H CYS 25 HN CYS 25 -0.038 9.249 -1.444 336 HA CYS 25 HA CYS 25 2.309 7.917 -2.554 337 HB2 CYS 25 HB2 CYS 25 1.742 10.856 -2.163 338 HB3 CYS 25 HB1 CYS 25 3.340 10.225 -2.546 339 H PHE 26 HN PHE 26 3.998 7.559 -1.342 340 HA PHE 26 HA PHE 26 3.593 7.794 1.532 341 HB2 PHE 26 HB2 PHE 26 5.524 6.096 -0.073 342 HB3 PHE 26 HB1 PHE 26 5.226 5.970 1.664 343 HD1 PHE 26 HD1 PHE 26 2.777 5.390 2.327 344 HD2 PHE 26 HD2 PHE 26 4.397 4.802 -1.556 345 HE1 PHE 26 HE1 PHE 26 1.019 3.739 1.847 346 HE2 PHE 26 HE2 PHE 26 2.653 3.156 -2.048 347 HZ PHE 26 HZ PHE 26 0.953 2.619 -0.344 348 HA PRO 27 HA PRO 27 6.816 11.001 0.866 349 HB2 PRO 27 HB2 PRO 27 5.935 12.154 3.390 350 HB3 PRO 27 HB1 PRO 27 5.836 12.848 1.771 351 HG2 PRO 27 HG2 PRO 27 3.640 12.056 3.161 352 HG3 PRO 27 HG1 PRO 27 3.737 12.006 1.392 353 HD2 PRO 27 HD2 PRO 27 4.093 9.785 3.367 354 HD3 PRO 27 HD1 PRO 27 3.201 9.797 1.827 355 H ASP 28 HN ASP 28 6.149 8.951 3.500 356 HA ASP 28 HA ASP 28 8.841 9.323 4.616 357 HB2 ASP 28 HB2 ASP 28 7.020 9.654 6.239 358 HB3 ASP 28 HB1 ASP 28 6.332 8.097 5.825
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