NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
575255 | 2mj2 | 19702 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 HT1 THR 1 -15.073 8.051 15.610 2 H2 THR 1 HT2 THR 1 -14.254 6.978 14.595 3 H3 THR 1 HT3 THR 1 -15.756 6.552 15.240 4 HA THR 1 HA THR 1 -16.844 8.264 14.001 5 HB THR 1 HB THR 1 -15.440 9.383 12.170 6 HG1 THR 1 HG1 THR 1 -13.464 8.530 12.210 7 HG21 THR 1 HG21 THR 1 -16.359 10.620 14.053 8 HG22 THR 1 HG22 THR 1 -14.737 11.199 13.679 9 HG23 THR 1 HG23 THR 1 -14.997 10.136 15.061 10 H TRP 2 HN TRP 2 -17.760 6.302 13.367 11 HA TRP 2 HA TRP 2 -16.459 4.737 11.301 12 HB2 TRP 2 HB2 TRP 2 -17.702 3.612 13.121 13 HB3 TRP 2 HB1 TRP 2 -19.179 4.403 12.585 14 HD1 TRP 2 HD1 TRP 2 -20.185 3.593 10.186 15 HE1 TRP 2 HE1 TRP 2 -20.002 1.331 8.975 16 HE3 TRP 2 HE3 TRP 2 -16.197 1.654 12.718 17 HZ2 TRP 2 HZ2 TRP 2 -18.372 -0.975 9.084 18 HZ3 TRP 2 HZ3 TRP 2 -15.384 -0.583 12.104 19 HH2 TRP 2 HH2 TRP 2 -16.451 -1.871 10.324 20 H SER 3 HN SER 3 -16.733 5.066 9.212 21 HA SER 3 HA SER 3 -19.279 6.197 8.300 22 HB2 SER 3 HB2 SER 3 -17.973 7.368 6.469 23 HB3 SER 3 HB1 SER 3 -17.755 8.028 8.089 24 HG SER 3 HG SER 3 -15.889 6.270 7.922 25 H GLY 4 HN GLY 4 -20.257 4.993 6.813 26 HA2 GLY 4 HA2 GLY 4 -18.743 2.733 5.699 27 HA3 GLY 4 HA1 GLY 4 -20.487 2.800 5.890 28 H THR 5 HN THR 5 -19.144 5.664 4.701 29 HA THR 5 HA THR 5 -20.471 5.379 2.196 30 HB THR 5 HB THR 5 -19.233 7.604 1.735 31 HG1 THR 5 HG1 THR 5 -18.322 8.562 3.555 32 HG21 THR 5 HG21 THR 5 -21.588 7.482 2.377 33 HG22 THR 5 HG22 THR 5 -20.797 8.840 3.178 34 HG23 THR 5 HG23 THR 5 -21.130 7.361 4.075 35 H LYS 6 HN LYS 6 -17.034 5.908 3.005 36 HA LYS 6 HA LYS 6 -16.325 4.711 0.424 37 HB2 LYS 6 HB2 LYS 6 -14.750 6.497 2.272 38 HB3 LYS 6 HB1 LYS 6 -14.118 5.798 0.789 39 HG2 LYS 6 HG2 LYS 6 -16.525 7.580 0.916 40 HG3 LYS 6 HG1 LYS 6 -14.888 8.149 0.573 41 HD2 LYS 6 HD2 LYS 6 -14.828 6.568 -1.358 42 HD3 LYS 6 HD1 LYS 6 -16.526 6.201 -1.048 43 HE2 LYS 6 HE2 LYS 6 -16.343 7.855 -2.806 44 HE3 LYS 6 HE1 LYS 6 -17.076 8.575 -1.373 45 HZ1 LYS 6 HZ1 LYS 6 -15.431 10.043 -2.324 46 HZ2 LYS 6 HZ2 LYS 6 -14.241 8.852 -2.206 47 HZ3 LYS 6 HZ3 LYS 6 -14.913 9.518 -0.805 48 H LYS 7 HN LYS 7 -17.060 3.048 2.660 49 HA LYS 7 HA LYS 7 -14.802 2.162 4.101 50 HB2 LYS 7 HB2 LYS 7 -16.208 0.153 4.624 51 HB3 LYS 7 HB1 LYS 7 -16.951 1.697 5.006 52 HG2 LYS 7 HG2 LYS 7 -18.296 1.562 2.977 53 HG3 LYS 7 HG1 LYS 7 -17.536 0.023 2.572 54 HD2 LYS 7 HD2 LYS 7 -18.456 -0.996 4.563 55 HD3 LYS 7 HD1 LYS 7 -19.121 0.550 5.086 56 HE2 LYS 7 HE2 LYS 7 -20.584 0.592 3.139 57 HE3 LYS 7 HE1 LYS 7 -19.896 -0.929 2.575 58 HZ1 LYS 7 HZ1 LYS 7 -21.999 -1.282 3.704 59 HZ2 LYS 7 HZ2 LYS 7 -21.408 -0.544 5.103 60 HZ3 LYS 7 HZ3 LYS 7 -20.740 -2.004 4.571 61 H ARG 8 HN ARG 8 -16.097 1.250 0.983 62 HA ARG 8 HA ARG 8 -14.457 -1.076 0.691 63 HB2 ARG 8 HB2 ARG 8 -16.574 -0.705 -0.576 64 HB3 ARG 8 HB1 ARG 8 -15.779 0.586 -1.464 65 HG2 ARG 8 HG2 ARG 8 -15.825 -1.440 -2.779 66 HG3 ARG 8 HG1 ARG 8 -14.163 -1.028 -2.351 67 HD2 ARG 8 HD2 ARG 8 -14.185 -2.671 -0.569 68 HD3 ARG 8 HD1 ARG 8 -15.873 -3.048 -0.904 69 HE ARG 8 HE ARG 8 -14.249 -3.420 -3.210 70 HH11 ARG 8 HH11 ARG 8 -15.087 -4.875 -0.144 71 HH12 ARG 8 HH12 ARG 8 -14.785 -6.498 -0.678 72 HH21 ARG 8 HH21 ARG 8 -13.824 -5.554 -3.922 73 HH22 ARG 8 HH22 ARG 8 -14.060 -6.885 -2.833 74 H ALA 9 HN ALA 9 -14.185 2.321 -0.129 75 HA ALA 9 HA ALA 9 -11.832 2.148 -1.689 76 HB1 ALA 9 HB1 ALA 9 -11.652 4.555 -1.345 77 HB2 ALA 9 HB2 ALA 9 -12.867 4.472 -0.071 78 HB3 ALA 9 HB3 ALA 9 -13.311 4.099 -1.735 79 H GLN 10 HN GLN 10 -12.433 2.387 1.753 80 HA GLN 10 HA GLN 10 -9.819 2.999 2.597 81 HB2 GLN 10 HB2 GLN 10 -11.929 1.378 4.035 82 HB3 GLN 10 HB1 GLN 10 -10.498 2.081 4.775 83 HG2 GLN 10 HG2 GLN 10 -12.779 3.584 3.513 84 HG3 GLN 10 HG1 GLN 10 -12.448 3.429 5.238 85 HE21 GLN 10 HE21 GLN 10 -12.654 5.802 3.539 86 HE22 GLN 10 HE22 GLN 10 -11.163 6.656 3.729 87 H ARG 11 HN ARG 11 -11.356 0.000 1.675 88 HA ARG 11 HA ARG 11 -9.294 -1.743 2.563 89 HB2 ARG 11 HB2 ARG 11 -11.104 -3.043 2.174 90 HB3 ARG 11 HB1 ARG 11 -11.766 -1.932 0.985 91 HG2 ARG 11 HG2 ARG 11 -10.285 -2.829 -0.710 92 HG3 ARG 11 HG1 ARG 11 -9.557 -3.915 0.474 93 HD2 ARG 11 HD2 ARG 11 -11.640 -5.084 0.748 94 HD3 ARG 11 HD1 ARG 11 -12.473 -3.921 -0.280 95 HE ARG 11 HE ARG 11 -10.966 -4.752 -2.106 96 HH11 ARG 11 HH11 ARG 11 -11.797 -6.783 0.626 97 HH12 ARG 11 HH12 ARG 11 -11.597 -8.261 -0.256 98 HH21 ARG 11 HH21 ARG 11 -10.729 -6.696 -3.268 99 HH22 ARG 11 HH22 ARG 11 -10.989 -8.213 -2.472 100 H ILE 12 HN ILE 12 -10.027 -0.139 -0.495 101 HA ILE 12 HA ILE 12 -7.930 -1.289 -1.998 102 HB ILE 12 HB ILE 12 -9.282 1.388 -2.405 103 HG12 ILE 12 HG12 ILE 12 -9.954 -1.306 -3.606 104 HG13 ILE 12 HG11 ILE 12 -10.838 -0.559 -2.280 105 HG21 ILE 12 HG21 ILE 12 -7.203 1.165 -3.671 106 HG22 ILE 12 HG22 ILE 12 -8.604 1.146 -4.741 107 HG23 ILE 12 HG23 ILE 12 -7.773 -0.359 -4.349 108 HD11 ILE 12 HD11 ILE 12 -10.561 0.550 -5.061 109 HD12 ILE 12 HD12 ILE 12 -11.447 1.298 -3.734 110 HD13 ILE 12 HD13 ILE 12 -11.985 -0.246 -4.392 111 H LEU 13 HN LEU 13 -8.169 1.504 0.089 112 HA LEU 13 HA LEU 13 -5.734 2.731 -0.472 113 HB2 LEU 13 HB2 LEU 13 -7.650 3.625 0.919 114 HB3 LEU 13 HB1 LEU 13 -7.093 2.599 2.223 115 HG LEU 13 HG LEU 13 -5.285 4.675 1.007 116 HD11 LEU 13 HD11 LEU 13 -6.006 6.210 2.771 117 HD12 LEU 13 HD12 LEU 13 -7.249 5.059 3.264 118 HD13 LEU 13 HD13 LEU 13 -7.332 5.818 1.675 119 HD21 LEU 13 HD21 LEU 13 -4.229 4.594 3.217 120 HD22 LEU 13 HD22 LEU 13 -4.245 3.003 2.457 121 HD23 LEU 13 HD23 LEU 13 -5.400 3.380 3.734 122 H ILE 14 HN ILE 14 -6.562 0.126 1.782 123 HA ILE 14 HA ILE 14 -4.084 -0.210 3.018 124 HB ILE 14 HB ILE 14 -6.028 -2.401 2.255 125 HG12 ILE 14 HG12 ILE 14 -5.834 -0.798 4.816 126 HG13 ILE 14 HG11 ILE 14 -7.059 -0.563 3.572 127 HG21 ILE 14 HG21 ILE 14 -3.874 -2.316 4.368 128 HG22 ILE 14 HG22 ILE 14 -3.847 -3.270 2.884 129 HG23 ILE 14 HG23 ILE 14 -5.035 -3.625 4.139 130 HD11 ILE 14 HD11 ILE 14 -7.877 -2.831 3.960 131 HD12 ILE 14 HD12 ILE 14 -7.932 -1.852 5.426 132 HD13 ILE 14 HD13 ILE 14 -6.656 -3.051 5.211 133 H PHE 15 HN PHE 15 -5.336 -1.559 0.003 134 HA PHE 15 HA PHE 15 -3.114 -3.185 -0.599 135 HB2 PHE 15 HB2 PHE 15 -5.064 -1.909 -2.527 136 HB3 PHE 15 HB1 PHE 15 -4.015 -3.276 -2.870 137 HD1 PHE 15 HD2 PHE 15 -4.573 -4.481 0.012 138 HD2 PHE 15 HD1 PHE 15 -7.011 -3.157 -3.215 139 HE1 PHE 15 HE2 PHE 15 -6.362 -5.996 0.746 140 HE2 PHE 15 HE1 PHE 15 -8.803 -4.675 -2.488 141 HZ PHE 15 HZ PHE 15 -8.480 -6.097 -0.506 142 H LEU 16 HN LEU 16 -3.971 0.116 -1.593 143 HA LEU 16 HA LEU 16 -1.724 0.448 -3.283 144 HB2 LEU 16 HB2 LEU 16 -2.523 2.549 -3.708 145 HB3 LEU 16 HB1 LEU 16 -3.980 1.751 -3.162 146 HG LEU 16 HG LEU 16 -3.385 2.780 -0.846 147 HD11 LEU 16 HD11 LEU 16 -1.135 3.519 -1.629 148 HD12 LEU 16 HD12 LEU 16 -2.119 4.798 -0.909 149 HD13 LEU 16 HD13 LEU 16 -1.945 4.699 -2.663 150 HD21 LEU 16 HD21 LEU 16 -5.320 3.360 -2.277 151 HD22 LEU 16 HD22 LEU 16 -4.311 4.536 -3.119 152 HD23 LEU 16 HD23 LEU 16 -4.671 4.749 -1.406 153 H LEU 17 HN LEU 17 -2.324 1.106 0.107 154 HA LEU 17 HA LEU 17 0.050 2.512 0.659 155 HB2 LEU 17 HB2 LEU 17 -1.834 2.476 2.190 156 HB3 LEU 17 HB1 LEU 17 -1.658 0.746 2.410 157 HG LEU 17 HG LEU 17 0.507 1.100 3.505 158 HD11 LEU 17 HD11 LEU 17 1.177 3.137 2.371 159 HD12 LEU 17 HD12 LEU 17 1.204 3.359 4.119 160 HD13 LEU 17 HD13 LEU 17 -0.120 4.027 3.166 161 HD21 LEU 17 HD21 LEU 17 -1.528 0.993 4.833 162 HD22 LEU 17 HD22 LEU 17 -1.746 2.735 4.657 163 HD23 LEU 17 HD23 LEU 17 -0.363 2.104 5.552 164 H GLU 18 HN GLU 18 -0.764 -0.921 1.062 165 HA GLU 18 HA GLU 18 1.709 -1.854 1.897 166 HB2 GLU 18 HB2 GLU 18 -0.490 -3.154 0.307 167 HB3 GLU 18 HB1 GLU 18 0.956 -4.032 0.784 168 HG2 GLU 18 HG2 GLU 18 -0.906 -2.649 2.701 169 HG3 GLU 18 HG1 GLU 18 -0.970 -4.365 2.300 170 H PHE 19 HN PHE 19 0.492 -1.384 -1.398 171 HA PHE 19 HA PHE 19 2.704 -2.427 -2.768 172 HB2 PHE 19 HB2 PHE 19 0.619 -1.944 -3.921 173 HB3 PHE 19 HB1 PHE 19 0.802 -0.224 -3.593 174 HD1 PHE 19 HD2 PHE 19 2.507 -3.062 -5.282 175 HD2 PHE 19 HD1 PHE 19 1.846 1.138 -5.148 176 HE1 PHE 19 HE2 PHE 19 3.779 -2.799 -7.368 177 HE2 PHE 19 HE1 PHE 19 3.125 1.406 -7.231 178 HZ PHE 19 HZ PHE 19 4.093 -0.563 -8.340 179 H LEU 20 HN LEU 20 1.983 0.918 -1.809 180 HA LEU 20 HA LEU 20 4.265 2.140 -2.828 181 HB2 LEU 20 HB2 LEU 20 2.315 2.760 -0.680 182 HB3 LEU 20 HB1 LEU 20 3.819 3.656 -0.664 183 HG LEU 20 HG LEU 20 3.361 4.693 -2.732 184 HD11 LEU 20 HD11 LEU 20 1.483 4.087 -4.176 185 HD12 LEU 20 HD12 LEU 20 1.086 2.749 -3.099 186 HD13 LEU 20 HD13 LEU 20 2.610 2.744 -3.986 187 HD21 LEU 20 HD21 LEU 20 1.146 5.694 -2.389 188 HD22 LEU 20 HD22 LEU 20 2.075 5.599 -0.893 189 HD23 LEU 20 HD23 LEU 20 0.781 4.441 -1.202 190 H LEU 21 HN LEU 21 3.741 0.737 0.391 191 HA LEU 21 HA LEU 21 6.292 1.400 1.422 192 HB2 LEU 21 HB2 LEU 21 4.559 -0.931 2.242 193 HB3 LEU 21 HB1 LEU 21 5.779 -0.129 3.213 194 HG LEU 21 HG LEU 21 3.193 1.106 2.286 195 HD11 LEU 21 HD11 LEU 21 2.817 -0.603 3.961 196 HD12 LEU 21 HD12 LEU 21 2.561 0.999 4.651 197 HD13 LEU 21 HD13 LEU 21 4.046 0.116 5.000 198 HD21 LEU 21 HD21 LEU 21 3.780 2.944 3.794 199 HD22 LEU 21 HD22 LEU 21 4.970 2.757 2.504 200 HD23 LEU 21 HD23 LEU 21 5.331 2.171 4.129 201 H ASP 22 HN ASP 22 5.025 -1.441 -0.212 202 HA ASP 22 HA ASP 22 7.345 -3.053 0.054 203 HB2 ASP 22 HB2 ASP 22 5.139 -3.989 -0.498 204 HB3 ASP 22 HB1 ASP 22 5.167 -3.152 -2.046 205 H PHE 23 HN PHE 23 6.234 -0.822 -2.444 206 HA PHE 23 HA PHE 23 8.311 -1.382 -4.299 207 HB2 PHE 23 HB2 PHE 23 6.076 -0.280 -4.792 208 HB3 PHE 23 HB1 PHE 23 6.733 1.189 -4.078 209 HD1 PHE 23 HD2 PHE 23 6.928 -1.133 -6.901 210 HD2 PHE 23 HD1 PHE 23 8.360 2.519 -5.249 211 HE1 PHE 23 HE2 PHE 23 7.892 -0.530 -9.084 212 HE2 PHE 23 HE1 PHE 23 9.325 3.128 -7.429 213 HZ PHE 23 HZ PHE 23 9.093 1.602 -9.348 214 H CYS 24 HN CYS 24 7.880 0.987 -1.741 215 HA CYS 24 HA CYS 24 10.570 2.053 -2.220 216 HB2 CYS 24 HB2 CYS 24 8.348 3.056 -0.441 217 HB3 CYS 24 HB1 CYS 24 9.876 3.875 -0.734 218 HG CYS 24 HG CYS 24 8.090 5.312 -2.193 219 H THR 25 HN THR 25 10.370 -0.521 -1.151 220 HA THR 25 HA THR 25 10.508 -0.499 1.697 221 HB THR 25 HB THR 25 9.815 -2.493 0.387 222 HG1 THR 25 HG1 THR 25 11.762 -2.485 2.381 223 HG21 THR 25 HG21 THR 25 11.547 -3.926 -0.614 224 HG22 THR 25 HG22 THR 25 12.750 -2.677 -0.297 225 HG23 THR 25 HG23 THR 25 11.436 -2.367 -1.430 226 H GLY 26 HN GLY 26 12.737 0.130 -0.810 227 HA2 GLY 26 HA2 GLY 26 15.120 -0.532 0.647 228 HA3 GLY 26 HA1 GLY 26 15.033 0.369 -0.859 229 H GLU 27 HN GLU 27 16.654 0.888 1.492 230 HA GLU 27 HA GLU 27 15.548 3.143 2.874 231 HB2 GLU 27 HB2 GLU 27 17.870 3.390 3.760 232 HB3 GLU 27 HB1 GLU 27 17.182 1.792 4.005 233 HG2 GLU 27 HG2 GLU 27 18.452 0.924 2.136 234 HG3 GLU 27 HG1 GLU 27 19.100 2.531 1.807 235 H ASP 28 HN ASP 28 17.236 2.641 -0.064 236 HA ASP 28 HA ASP 28 18.198 5.345 -0.315 237 HB2 ASP 28 HB2 ASP 28 18.968 4.672 -2.512 238 HB3 ASP 28 HB1 ASP 28 19.391 3.428 -1.344 239 H SER 29 HN SER 29 15.313 3.663 -0.899 240 HA SER 29 HA SER 29 13.248 4.340 -1.538 241 HB2 SER 29 HB2 SER 29 13.899 6.386 -0.198 242 HB3 SER 29 HB1 SER 29 14.394 7.135 -1.713 243 HG SER 29 HG SER 29 12.366 7.787 -1.625 244 H VAL 30 HN VAL 30 12.400 6.257 -3.331 245 HA VAL 30 HA VAL 30 13.866 5.793 -5.814 246 HB VAL 30 HB VAL 30 12.212 3.970 -5.660 247 HG11 VAL 30 HG11 VAL 30 10.532 5.048 -4.289 248 HG12 VAL 30 HG12 VAL 30 9.814 4.437 -5.779 249 HG13 VAL 30 HG13 VAL 30 10.146 6.160 -5.601 250 HG21 VAL 30 HG21 VAL 30 11.145 4.291 -7.844 251 HG22 VAL 30 HG22 VAL 30 12.837 4.787 -7.858 252 HG23 VAL 30 HG23 VAL 30 11.562 6.002 -7.790 253 H ASP 31 HN ASP 31 13.985 8.075 -4.512 254 HA ASP 31 HA ASP 31 11.917 9.872 -5.555 255 HB2 ASP 31 HB2 ASP 31 13.976 10.178 -3.379 256 HB3 ASP 31 HB1 ASP 31 13.093 11.557 -4.023 257 H GLY 32 HN GLY 32 14.709 8.673 -6.634 258 HA2 GLY 32 HA2 GLY 32 15.926 11.120 -7.599 259 HA3 GLY 32 HA1 GLY 32 16.441 9.478 -7.969 260 H LYS 33 HN LYS 33 13.792 11.730 -8.554 261 HA LYS 33 HA LYS 33 12.443 12.137 -10.317 262 HB2 LYS 33 HB2 LYS 33 14.506 10.651 -11.949 263 HB3 LYS 33 HB1 LYS 33 13.240 11.689 -12.583 264 HG2 LYS 33 HG2 LYS 33 15.545 12.557 -10.857 265 HG3 LYS 33 HG1 LYS 33 15.394 12.809 -12.594 266 HD2 LYS 33 HD2 LYS 33 13.497 13.909 -10.525 267 HD3 LYS 33 HD1 LYS 33 14.829 14.810 -11.244 268 HE2 LYS 33 HE2 LYS 33 13.810 14.457 -13.470 269 HE3 LYS 33 HE1 LYS 33 12.445 13.663 -12.686 270 HZ1 LYS 33 HZ1 LYS 33 13.291 16.470 -12.213 271 HZ2 LYS 33 HZ2 LYS 33 11.961 15.706 -11.509 272 HZ3 LYS 33 HZ3 LYS 33 11.984 15.993 -13.172 273 H LYS 34 HN LYS 34 10.961 10.721 -9.242 274 HA LYS 34 HA LYS 34 10.841 7.947 -10.002 275 HB2 LYS 34 HB2 LYS 34 8.874 7.848 -8.554 276 HB3 LYS 34 HB1 LYS 34 10.221 8.629 -7.744 277 HG2 LYS 34 HG2 LYS 34 9.204 10.827 -8.280 278 HG3 LYS 34 HG1 LYS 34 7.815 9.976 -8.954 279 HD2 LYS 34 HD2 LYS 34 7.327 10.673 -6.686 280 HD3 LYS 34 HD1 LYS 34 7.436 8.914 -6.757 281 HE2 LYS 34 HE2 LYS 34 9.664 8.973 -5.831 282 HE3 LYS 34 HE1 LYS 34 9.682 10.732 -5.891 283 HZ1 LYS 34 HZ1 LYS 34 7.950 9.037 -4.172 284 HZ2 LYS 34 HZ2 LYS 34 7.821 10.716 -4.294 285 HZ3 LYS 34 HZ3 LYS 34 9.234 10.023 -3.667 286 H ARG 35 HN ARG 35 10.232 10.498 -11.764 287 HA ARG 35 HA ARG 35 9.143 10.847 -13.712 288 HB2 ARG 35 HB2 ARG 35 8.343 7.945 -13.435 289 HB3 ARG 35 HB1 ARG 35 8.169 8.913 -14.893 290 HG2 ARG 35 HG2 ARG 35 10.558 9.154 -15.075 291 HG3 ARG 35 HG1 ARG 35 10.791 8.322 -13.537 292 HD2 ARG 35 HD2 ARG 35 11.235 6.808 -15.363 293 HD3 ARG 35 HD1 ARG 35 9.784 6.297 -14.505 294 HE ARG 35 HE ARG 35 8.734 7.751 -16.478 295 HH11 ARG 35 HH11 ARG 35 11.237 5.304 -16.540 296 HH12 ARG 35 HH12 ARG 35 10.844 4.760 -18.139 297 HH21 ARG 35 HH21 ARG 35 8.232 7.046 -18.596 298 HH22 ARG 35 HH22 ARG 35 9.138 5.749 -19.307 299 H GLN 36 HN GLN 36 7.881 11.385 -11.198 300 HA GLN 36 HA GLN 36 5.049 10.906 -11.657 301 HB2 GLN 36 HB2 GLN 36 5.933 10.763 -9.362 302 HB3 GLN 36 HB1 GLN 36 6.469 12.433 -9.461 303 HG2 GLN 36 HG2 GLN 36 4.078 13.084 -9.801 304 HG3 GLN 36 HG1 GLN 36 3.645 11.412 -9.443 305 HE21 GLN 36 HE21 GLN 36 4.923 14.378 -8.173 306 HE22 GLN 36 HE22 GLN 36 4.765 13.969 -6.497 Start of MODEL 2 1 H1 THR 1 HT1 THR 1 -28.318 3.538 3.145 2 H2 THR 1 HT2 THR 1 -28.037 5.188 3.358 3 H3 THR 1 HT3 THR 1 -28.035 4.149 4.691 4 HA THR 1 HA THR 1 -26.113 4.067 2.455 5 HB THR 1 HB THR 1 -25.764 6.056 3.830 6 HG1 THR 1 HG1 THR 1 -23.639 5.717 3.993 7 HG21 THR 1 HG21 THR 1 -25.197 5.876 6.204 8 HG22 THR 1 HG22 THR 1 -25.534 4.146 6.155 9 HG23 THR 1 HG23 THR 1 -26.837 5.306 5.894 10 H TRP 2 HN TRP 2 -24.564 2.483 2.586 11 HA TRP 2 HA TRP 2 -25.364 0.180 4.198 12 HB2 TRP 2 HB2 TRP 2 -23.670 0.435 1.707 13 HB3 TRP 2 HB1 TRP 2 -23.870 -1.074 2.589 14 HD1 TRP 2 HD1 TRP 2 -25.989 -2.477 2.088 15 HE1 TRP 2 HE1 TRP 2 -28.026 -2.188 0.543 16 HE3 TRP 2 HE3 TRP 2 -25.275 2.395 0.709 17 HZ2 TRP 2 HZ2 TRP 2 -29.178 -0.158 -1.043 18 HZ3 TRP 2 HZ3 TRP 2 -26.894 3.434 -0.824 19 HH2 TRP 2 HH2 TRP 2 -28.804 2.181 -1.681 20 H SER 3 HN SER 3 -23.811 -1.060 5.322 21 HA SER 3 HA SER 3 -21.815 0.560 6.604 22 HB2 SER 3 HB2 SER 3 -22.384 -2.391 6.972 23 HB3 SER 3 HB1 SER 3 -21.519 -1.331 8.087 24 HG SER 3 HG SER 3 -23.414 -0.245 8.512 25 H GLY 4 HN GLY 4 -20.735 0.803 4.392 26 HA2 GLY 4 HA2 GLY 4 -18.217 -0.223 4.395 27 HA3 GLY 4 HA1 GLY 4 -19.134 -1.414 3.483 28 H THR 5 HN THR 5 -19.597 2.079 3.550 29 HA THR 5 HA THR 5 -19.347 2.119 0.641 30 HB THR 5 HB THR 5 -20.307 4.443 0.904 31 HG1 THR 5 HG1 THR 5 -20.922 5.122 2.874 32 HG21 THR 5 HG21 THR 5 -21.723 2.540 0.317 33 HG22 THR 5 HG22 THR 5 -22.584 3.650 1.382 34 HG23 THR 5 HG23 THR 5 -21.921 2.147 2.024 35 H LYS 6 HN LYS 6 -18.333 4.129 3.402 36 HA LYS 6 HA LYS 6 -16.293 5.476 1.934 37 HB2 LYS 6 HB2 LYS 6 -16.678 5.203 4.922 38 HB3 LYS 6 HB1 LYS 6 -15.584 6.333 4.138 39 HG2 LYS 6 HG2 LYS 6 -17.491 7.444 3.082 40 HG3 LYS 6 HG1 LYS 6 -18.585 6.314 3.881 41 HD2 LYS 6 HD2 LYS 6 -16.706 8.205 5.297 42 HD3 LYS 6 HD1 LYS 6 -18.430 8.487 5.047 43 HE2 LYS 6 HE2 LYS 6 -18.935 6.461 6.333 44 HE3 LYS 6 HE1 LYS 6 -17.213 6.201 6.595 45 HZ1 LYS 6 HZ1 LYS 6 -18.736 8.575 7.516 46 HZ2 LYS 6 HZ2 LYS 6 -17.100 8.261 7.812 47 HZ3 LYS 6 HZ3 LYS 6 -18.288 7.266 8.489 48 H LYS 7 HN LYS 7 -16.489 2.592 3.850 49 HA LYS 7 HA LYS 7 -13.660 2.234 4.104 50 HB2 LYS 7 HB2 LYS 7 -16.015 0.443 4.640 51 HB3 LYS 7 HB1 LYS 7 -14.359 -0.118 4.811 52 HG2 LYS 7 HG2 LYS 7 -15.618 2.167 6.318 53 HG3 LYS 7 HG1 LYS 7 -15.286 0.553 6.952 54 HD2 LYS 7 HD2 LYS 7 -12.863 0.952 6.421 55 HD3 LYS 7 HD1 LYS 7 -13.287 2.624 6.054 56 HE2 LYS 7 HE2 LYS 7 -13.663 1.223 8.697 57 HE3 LYS 7 HE1 LYS 7 -12.438 2.433 8.324 58 HZ1 LYS 7 HZ1 LYS 7 -14.233 4.029 7.926 59 HZ2 LYS 7 HZ2 LYS 7 -14.261 3.429 9.505 60 HZ3 LYS 7 HZ3 LYS 7 -15.375 2.863 8.369 61 H ARG 8 HN ARG 8 -15.726 1.933 1.520 62 HA ARG 8 HA ARG 8 -14.741 -0.405 0.267 63 HB2 ARG 8 HB2 ARG 8 -16.812 0.963 -0.352 64 HB3 ARG 8 HB1 ARG 8 -15.715 2.066 -1.162 65 HG2 ARG 8 HG2 ARG 8 -16.719 0.495 -2.728 66 HG3 ARG 8 HG1 ARG 8 -14.970 0.276 -2.633 67 HD2 ARG 8 HD2 ARG 8 -16.246 -1.857 -2.654 68 HD3 ARG 8 HD1 ARG 8 -15.225 -1.652 -1.232 69 HE ARG 8 HE ARG 8 -17.699 -0.684 -0.507 70 HH11 ARG 8 HH11 ARG 8 -16.468 -3.740 -1.695 71 HH12 ARG 8 HH12 ARG 8 -17.617 -4.689 -0.814 72 HH21 ARG 8 HH21 ARG 8 -19.210 -1.921 0.647 73 HH22 ARG 8 HH22 ARG 8 -19.181 -3.653 0.525 74 H ALA 9 HN ALA 9 -13.962 3.017 -0.185 75 HA ALA 9 HA ALA 9 -11.696 2.602 -1.821 76 HB1 ALA 9 HB1 ALA 9 -11.168 4.934 -1.379 77 HB2 ALA 9 HB2 ALA 9 -12.318 4.961 -0.044 78 HB3 ALA 9 HB3 ALA 9 -12.892 4.745 -1.699 79 H GLN 10 HN GLN 10 -12.170 2.680 1.641 80 HA GLN 10 HA GLN 10 -9.428 2.872 2.367 81 HB2 GLN 10 HB2 GLN 10 -11.814 1.836 3.899 82 HB3 GLN 10 HB1 GLN 10 -10.216 2.061 4.594 83 HG2 GLN 10 HG2 GLN 10 -11.875 4.249 3.363 84 HG3 GLN 10 HG1 GLN 10 -11.768 3.910 5.090 85 HE21 GLN 10 HE21 GLN 10 -10.084 5.117 2.298 86 HE22 GLN 10 HE22 GLN 10 -8.785 5.862 3.158 87 H ARG 11 HN ARG 11 -11.495 0.247 1.416 88 HA ARG 11 HA ARG 11 -9.863 -1.864 2.361 89 HB2 ARG 11 HB2 ARG 11 -11.937 -2.672 1.849 90 HB3 ARG 11 HB1 ARG 11 -12.164 -1.552 0.516 91 HG2 ARG 11 HG2 ARG 11 -10.823 -2.875 -0.920 92 HG3 ARG 11 HG1 ARG 11 -10.346 -3.943 0.398 93 HD2 ARG 11 HD2 ARG 11 -13.108 -3.607 -0.773 94 HD3 ARG 11 HD1 ARG 11 -12.059 -5.015 -0.934 95 HE ARG 11 HE ARG 11 -12.486 -4.552 1.792 96 HH11 ARG 11 HH11 ARG 11 -14.261 -5.581 -1.044 97 HH12 ARG 11 HH12 ARG 11 -15.429 -6.490 -0.139 98 HH21 ARG 11 HH21 ARG 11 -14.035 -5.719 2.985 99 HH22 ARG 11 HH22 ARG 11 -15.302 -6.564 2.155 100 H ILE 12 HN ILE 12 -10.168 -0.203 -0.751 101 HA ILE 12 HA ILE 12 -8.112 -1.646 -2.041 102 HB ILE 12 HB ILE 12 -9.065 1.165 -2.651 103 HG12 ILE 12 HG12 ILE 12 -10.045 -1.478 -3.756 104 HG13 ILE 12 HG11 ILE 12 -10.913 -0.492 -2.583 105 HG21 ILE 12 HG21 ILE 12 -6.961 0.590 -3.750 106 HG22 ILE 12 HG22 ILE 12 -8.273 0.699 -4.922 107 HG23 ILE 12 HG23 ILE 12 -7.691 -0.880 -4.395 108 HD11 ILE 12 HD11 ILE 12 -11.075 1.305 -4.234 109 HD12 ILE 12 HD12 ILE 12 -11.813 -0.191 -4.809 110 HD13 ILE 12 HD13 ILE 12 -10.225 0.297 -5.405 111 H LEU 13 HN LEU 13 -8.207 1.237 -0.061 112 HA LEU 13 HA LEU 13 -5.687 2.282 -0.449 113 HB2 LEU 13 HB2 LEU 13 -7.407 3.404 0.859 114 HB3 LEU 13 HB1 LEU 13 -7.295 2.169 2.099 115 HG LEU 13 HG LEU 13 -4.936 2.875 2.517 116 HD11 LEU 13 HD11 LEU 13 -4.450 3.886 0.366 117 HD12 LEU 13 HD12 LEU 13 -4.213 5.055 1.664 118 HD13 LEU 13 HD13 LEU 13 -5.659 5.135 0.658 119 HD21 LEU 13 HD21 LEU 13 -7.051 4.999 2.829 120 HD22 LEU 13 HD22 LEU 13 -5.530 4.926 3.718 121 HD23 LEU 13 HD23 LEU 13 -6.741 3.662 3.937 122 H ILE 14 HN ILE 14 -6.673 -0.416 1.617 123 HA ILE 14 HA ILE 14 -4.309 -0.820 3.026 124 HB ILE 14 HB ILE 14 -6.192 -2.935 1.972 125 HG12 ILE 14 HG12 ILE 14 -7.336 -1.189 3.280 126 HG13 ILE 14 HG11 ILE 14 -7.327 -2.729 4.122 127 HG21 ILE 14 HG21 ILE 14 -5.384 -4.288 3.855 128 HG22 ILE 14 HG22 ILE 14 -4.225 -3.020 4.259 129 HG23 ILE 14 HG23 ILE 14 -4.088 -3.885 2.728 130 HD11 ILE 14 HD11 ILE 14 -6.904 -0.910 5.654 131 HD12 ILE 14 HD12 ILE 14 -5.528 -0.389 4.684 132 HD13 ILE 14 HD13 ILE 14 -5.478 -1.940 5.520 133 H PHE 15 HN PHE 15 -5.302 -2.066 -0.130 134 HA PHE 15 HA PHE 15 -2.922 -3.536 -0.612 135 HB2 PHE 15 HB2 PHE 15 -5.047 -2.523 -2.511 136 HB3 PHE 15 HB1 PHE 15 -3.767 -3.645 -2.952 137 HD1 PHE 15 HD1 PHE 15 -3.760 -5.925 -2.065 138 HD2 PHE 15 HD2 PHE 15 -6.936 -3.225 -1.226 139 HE1 PHE 15 HE1 PHE 15 -5.160 -7.808 -1.325 140 HE2 PHE 15 HE2 PHE 15 -8.342 -5.100 -0.482 141 HZ PHE 15 HZ PHE 15 -7.454 -7.398 -0.531 142 H LEU 16 HN LEU 16 -4.025 -0.305 -1.459 143 HA LEU 16 HA LEU 16 -1.850 0.443 -3.090 144 HB2 LEU 16 HB2 LEU 16 -3.436 2.245 -1.257 145 HB3 LEU 16 HB1 LEU 16 -2.520 2.731 -2.671 146 HG LEU 16 HG LEU 16 -5.021 1.052 -2.667 147 HD11 LEU 16 HD11 LEU 16 -6.038 2.980 -3.766 148 HD12 LEU 16 HD12 LEU 16 -4.527 3.874 -3.601 149 HD13 LEU 16 HD13 LEU 16 -5.433 3.402 -2.165 150 HD21 LEU 16 HD21 LEU 16 -4.911 1.246 -5.107 151 HD22 LEU 16 HD22 LEU 16 -3.522 0.376 -4.457 152 HD23 LEU 16 HD23 LEU 16 -3.351 2.055 -4.968 153 H LEU 17 HN LEU 17 -2.440 0.808 0.376 154 HA LEU 17 HA LEU 17 -0.126 2.121 1.140 155 HB2 LEU 17 HB2 LEU 17 -1.944 1.752 2.668 156 HB3 LEU 17 HB1 LEU 17 -1.742 0.016 2.565 157 HG LEU 17 HG LEU 17 0.465 0.240 3.675 158 HD11 LEU 17 HD11 LEU 17 0.975 2.528 3.030 159 HD12 LEU 17 HD12 LEU 17 1.025 2.344 4.784 160 HD13 LEU 17 HD13 LEU 17 -0.363 3.117 4.017 161 HD21 LEU 17 HD21 LEU 17 -1.504 -0.327 4.965 162 HD22 LEU 17 HD22 LEU 17 -1.902 1.380 5.150 163 HD23 LEU 17 HD23 LEU 17 -0.449 0.727 5.907 164 H GLU 18 HN GLU 18 -0.682 -1.389 1.095 165 HA GLU 18 HA GLU 18 1.881 -2.210 1.770 166 HB2 GLU 18 HB2 GLU 18 -0.129 -3.559 -0.037 167 HB3 GLU 18 HB1 GLU 18 1.306 -4.340 0.613 168 HG2 GLU 18 HG2 GLU 18 -0.989 -3.229 2.211 169 HG3 GLU 18 HG1 GLU 18 -0.669 -4.933 1.886 170 H PHE 19 HN PHE 19 0.553 -1.376 -1.393 171 HA PHE 19 HA PHE 19 2.831 -2.132 -2.905 172 HB2 PHE 19 HB2 PHE 19 0.610 -1.810 -3.915 173 HB3 PHE 19 HB1 PHE 19 0.685 -0.093 -3.539 174 HD1 PHE 19 HD2 PHE 19 2.333 -2.766 -5.505 175 HD2 PHE 19 HD1 PHE 19 1.681 1.409 -5.017 176 HE1 PHE 19 HE2 PHE 19 3.433 -2.344 -7.665 177 HE2 PHE 19 HE1 PHE 19 2.777 1.839 -7.177 178 HZ PHE 19 HZ PHE 19 3.656 -0.041 -8.501 179 H LEU 20 HN LEU 20 1.733 0.970 -1.589 180 HA LEU 20 HA LEU 20 3.765 2.582 -2.611 181 HB2 LEU 20 HB2 LEU 20 1.793 2.762 -0.420 182 HB3 LEU 20 HB1 LEU 20 3.155 3.857 -0.325 183 HG LEU 20 HG LEU 20 2.557 4.942 -2.354 184 HD11 LEU 20 HD11 LEU 20 0.696 4.204 -3.769 185 HD12 LEU 20 HD12 LEU 20 0.504 2.769 -2.762 186 HD13 LEU 20 HD13 LEU 20 1.980 2.998 -3.699 187 HD21 LEU 20 HD21 LEU 20 0.262 5.679 -1.893 188 HD22 LEU 20 HD22 LEU 20 1.240 5.599 -0.428 189 HD23 LEU 20 HD23 LEU 20 0.068 4.328 -0.776 190 H LEU 21 HN LEU 21 3.589 1.002 0.602 191 HA LEU 21 HA LEU 21 6.079 2.060 1.436 192 HB2 LEU 21 HB2 LEU 21 5.959 0.392 3.271 193 HB3 LEU 21 HB1 LEU 21 4.542 1.408 3.121 194 HG LEU 21 HG LEU 21 3.611 -0.624 1.740 195 HD11 LEU 21 HD11 LEU 21 4.381 -2.771 2.623 196 HD12 LEU 21 HD12 LEU 21 5.662 -1.945 3.508 197 HD13 LEU 21 HD13 LEU 21 5.660 -1.932 1.745 198 HD21 LEU 21 HD21 LEU 21 2.649 0.254 3.792 199 HD22 LEU 21 HD22 LEU 21 3.843 -0.630 4.743 200 HD23 LEU 21 HD23 LEU 21 2.640 -1.509 3.798 201 H ASP 22 HN ASP 22 5.188 -0.858 -0.245 202 HA ASP 22 HA ASP 22 7.707 -2.164 0.014 203 HB2 ASP 22 HB2 ASP 22 5.616 -3.365 -0.498 204 HB3 ASP 22 HB1 ASP 22 5.516 -2.534 -2.044 205 H PHE 23 HN PHE 23 6.323 0.124 -2.210 206 HA PHE 23 HA PHE 23 8.463 -0.060 -4.132 207 HB2 PHE 23 HB2 PHE 23 6.121 0.523 -4.749 208 HB3 PHE 23 HB1 PHE 23 6.282 2.020 -3.841 209 HD1 PHE 23 HD2 PHE 23 7.443 0.172 -6.805 210 HD2 PHE 23 HD1 PHE 23 7.377 3.908 -4.769 211 HE1 PHE 23 HE2 PHE 23 8.315 1.283 -8.820 212 HE2 PHE 23 HE1 PHE 23 8.244 5.025 -6.780 213 HZ PHE 23 HZ PHE 23 8.714 3.713 -8.809 214 H CYS 24 HN CYS 24 7.447 2.182 -1.590 215 HA CYS 24 HA CYS 24 9.363 4.182 -2.099 216 HB2 CYS 24 HB2 CYS 24 7.324 4.588 -0.801 217 HB3 CYS 24 HB1 CYS 24 7.912 3.523 0.470 218 HG CYS 24 HG CYS 24 9.259 5.284 1.765 219 H THR 25 HN THR 25 9.439 1.336 0.008 220 HA THR 25 HA THR 25 11.824 2.018 1.351 221 HB THR 25 HB THR 25 11.985 -0.504 1.754 222 HG1 THR 25 HG1 THR 25 9.316 -0.653 0.898 223 HG21 THR 25 HG21 THR 25 10.094 -0.485 3.324 224 HG22 THR 25 HG22 THR 25 9.456 0.954 2.528 225 HG23 THR 25 HG23 THR 25 10.999 1.027 3.376 226 H GLY 26 HN GLY 26 11.204 0.386 -1.698 227 HA2 GLY 26 HA2 GLY 26 14.058 -0.167 -2.021 228 HA3 GLY 26 HA1 GLY 26 12.767 -0.752 -3.064 229 H GLU 27 HN GLU 27 12.719 2.578 -2.196 230 HA GLU 27 HA GLU 27 13.089 3.479 -4.859 231 HB2 GLU 27 HB2 GLU 27 12.943 4.821 -2.180 232 HB3 GLU 27 HB1 GLU 27 13.400 5.747 -3.601 233 HG2 GLU 27 HG2 GLU 27 10.908 4.102 -3.606 234 HG3 GLU 27 HG1 GLU 27 10.932 5.697 -2.853 235 H ASP 28 HN ASP 28 15.114 4.029 -1.983 236 HA ASP 28 HA ASP 28 17.500 3.751 -3.663 237 HB2 ASP 28 HB2 ASP 28 16.973 6.148 -3.582 238 HB3 ASP 28 HB1 ASP 28 16.939 6.095 -1.826 239 H SER 29 HN SER 29 15.852 2.925 -0.909 240 HA SER 29 HA SER 29 18.289 2.559 0.689 241 HB2 SER 29 HB2 SER 29 16.628 2.295 2.600 242 HB3 SER 29 HB1 SER 29 16.744 3.903 1.887 243 HG SER 29 HG SER 29 14.821 2.040 0.971 244 H VAL 30 HN VAL 30 17.908 0.666 2.328 245 HA VAL 30 HA VAL 30 18.222 -1.564 2.499 246 HB VAL 30 HB VAL 30 15.934 -1.322 3.249 247 HG11 VAL 30 HG11 VAL 30 15.090 -1.925 0.424 248 HG12 VAL 30 HG12 VAL 30 14.867 -0.401 1.285 249 HG13 VAL 30 HG13 VAL 30 14.019 -1.852 1.823 250 HG21 VAL 30 HG21 VAL 30 16.906 -3.527 3.314 251 HG22 VAL 30 HG22 VAL 30 16.368 -3.843 1.664 252 HG23 VAL 30 HG23 VAL 30 15.182 -3.638 2.955 253 H ASP 31 HN ASP 31 19.805 -1.724 0.881 254 HA ASP 31 HA ASP 31 19.424 -2.347 -1.798 255 HB2 ASP 31 HB2 ASP 31 21.586 -3.120 0.152 256 HB3 ASP 31 HB1 ASP 31 21.636 -3.647 -1.524 257 H GLY 32 HN GLY 32 18.556 -4.025 -2.810 258 HA2 GLY 32 HA2 GLY 32 17.980 -6.446 -1.247 259 HA3 GLY 32 HA1 GLY 32 17.185 -5.975 -2.743 260 H LYS 33 HN LYS 33 19.289 -5.455 -4.380 261 HA LYS 33 HA LYS 33 20.237 -8.142 -4.911 262 HB2 LYS 33 HB2 LYS 33 20.717 -5.620 -6.510 263 HB3 LYS 33 HB1 LYS 33 20.941 -7.277 -7.057 264 HG2 LYS 33 HG2 LYS 33 18.326 -5.939 -6.383 265 HG3 LYS 33 HG1 LYS 33 18.911 -6.379 -7.989 266 HD2 LYS 33 HD2 LYS 33 18.849 -8.736 -7.380 267 HD3 LYS 33 HD1 LYS 33 18.324 -8.316 -5.751 268 HE2 LYS 33 HE2 LYS 33 16.280 -7.331 -6.670 269 HE3 LYS 33 HE1 LYS 33 16.807 -7.762 -8.296 270 HZ1 LYS 33 HZ1 LYS 33 16.734 -10.084 -7.682 271 HZ2 LYS 33 HZ2 LYS 33 15.232 -9.369 -7.393 272 HZ3 LYS 33 HZ3 LYS 33 16.277 -9.692 -6.103 273 H LYS 34 HN LYS 34 21.527 -4.957 -4.136 274 HA LYS 34 HA LYS 34 24.234 -5.998 -3.967 275 HB2 LYS 34 HB2 LYS 34 23.119 -3.227 -3.490 276 HB3 LYS 34 HB1 LYS 34 24.821 -3.646 -3.411 277 HG2 LYS 34 HG2 LYS 34 24.850 -4.203 -5.744 278 HG3 LYS 34 HG1 LYS 34 23.106 -3.969 -5.858 279 HD2 LYS 34 HD2 LYS 34 24.384 -2.054 -6.753 280 HD3 LYS 34 HD1 LYS 34 23.353 -1.606 -5.397 281 HE2 LYS 34 HE2 LYS 34 26.169 -2.371 -4.831 282 HE3 LYS 34 HE1 LYS 34 25.871 -0.801 -5.570 283 HZ1 LYS 34 HZ1 LYS 34 24.478 -0.193 -3.738 284 HZ2 LYS 34 HZ2 LYS 34 25.950 -0.745 -3.118 285 HZ3 LYS 34 HZ3 LYS 34 24.581 -1.739 -3.062 286 H ARG 35 HN ARG 35 22.409 -7.160 -2.200 287 HA ARG 35 HA ARG 35 22.912 -5.941 0.403 288 HB2 ARG 35 HB2 ARG 35 20.609 -6.659 -0.148 289 HB3 ARG 35 HB1 ARG 35 21.184 -8.310 -0.326 290 HG2 ARG 35 HG2 ARG 35 21.835 -8.335 2.032 291 HG3 ARG 35 HG1 ARG 35 21.245 -6.682 2.207 292 HD2 ARG 35 HD2 ARG 35 19.601 -9.095 1.451 293 HD3 ARG 35 HD1 ARG 35 19.593 -8.277 3.014 294 HE ARG 35 HE ARG 35 18.989 -6.443 0.949 295 HH11 ARG 35 HH11 ARG 35 17.590 -9.105 2.739 296 HH12 ARG 35 HH12 ARG 35 15.958 -8.558 2.521 297 HH21 ARG 35 HH21 ARG 35 16.846 -5.722 0.653 298 HH22 ARG 35 HH22 ARG 35 15.536 -6.622 1.340 299 H GLN 36 HN GLN 36 24.844 -6.463 1.177 300 HA GLN 36 HA GLN 36 25.451 -9.264 1.592 301 HB2 GLN 36 HB2 GLN 36 26.511 -8.740 -0.586 302 HB3 GLN 36 HB1 GLN 36 27.408 -7.438 0.180 303 HG2 GLN 36 HG2 GLN 36 28.549 -9.043 1.607 304 HG3 GLN 36 HG1 GLN 36 27.632 -10.357 0.873 305 HE21 GLN 36 HE21 GLN 36 28.123 -11.009 -1.211 306 HE22 GLN 36 HE22 GLN 36 29.602 -10.565 -1.990 Start of MODEL 3 1 H1 THR 1 HT1 THR 1 -21.618 -7.855 7.492 2 H2 THR 1 HT2 THR 1 -20.192 -7.041 7.097 3 H3 THR 1 HT3 THR 1 -20.129 -8.462 8.007 4 HA THR 1 HA THR 1 -19.472 -8.877 5.739 5 HB THR 1 HB THR 1 -22.180 -10.078 6.346 6 HG1 THR 1 HG1 THR 1 -19.685 -11.175 7.133 7 HG21 THR 1 HG21 THR 1 -21.392 -10.659 4.140 8 HG22 THR 1 HG22 THR 1 -21.226 -12.060 5.197 9 HG23 THR 1 HG23 THR 1 -19.809 -11.096 4.780 10 H TRP 2 HN TRP 2 -19.476 -7.601 4.014 11 HA TRP 2 HA TRP 2 -20.127 -6.337 2.263 12 HB2 TRP 2 HB2 TRP 2 -22.368 -8.350 2.301 13 HB3 TRP 2 HB1 TRP 2 -22.166 -7.161 1.018 14 HD1 TRP 2 HD1 TRP 2 -20.650 -10.368 2.386 15 HE1 TRP 2 HE1 TRP 2 -18.999 -11.324 0.659 16 HE3 TRP 2 HE3 TRP 2 -20.558 -6.446 -0.879 17 HZ2 TRP 2 HZ2 TRP 2 -17.808 -10.506 -1.768 18 HZ3 TRP 2 HZ3 TRP 2 -19.132 -6.608 -2.877 19 HH2 TRP 2 HH2 TRP 2 -17.787 -8.596 -3.312 20 H SER 3 HN SER 3 -20.513 -4.839 4.295 21 HA SER 3 HA SER 3 -23.017 -3.468 3.693 22 HB2 SER 3 HB2 SER 3 -22.081 -4.029 6.516 23 HB3 SER 3 HB1 SER 3 -23.494 -3.075 6.064 24 HG SER 3 HG SER 3 -23.743 -5.364 4.817 25 H GLY 4 HN GLY 4 -22.319 -1.605 2.891 26 HA2 GLY 4 HA2 GLY 4 -21.489 0.607 3.722 27 HA3 GLY 4 HA1 GLY 4 -20.069 -0.276 4.262 28 H THR 5 HN THR 5 -21.317 1.590 1.828 29 HA THR 5 HA THR 5 -20.182 0.440 -0.479 30 HB THR 5 HB THR 5 -20.249 2.896 -1.286 31 HG1 THR 5 HG1 THR 5 -21.056 4.354 0.063 32 HG21 THR 5 HG21 THR 5 -22.776 1.540 -0.335 33 HG22 THR 5 HG22 THR 5 -21.952 1.233 -1.864 34 HG23 THR 5 HG23 THR 5 -22.688 2.807 -1.559 35 H LYS 6 HN LYS 6 -19.010 2.905 1.759 36 HA LYS 6 HA LYS 6 -16.589 3.394 0.380 37 HB2 LYS 6 HB2 LYS 6 -17.418 4.015 3.210 38 HB3 LYS 6 HB1 LYS 6 -15.918 4.574 2.484 39 HG2 LYS 6 HG2 LYS 6 -17.188 5.783 0.785 40 HG3 LYS 6 HG1 LYS 6 -18.694 5.219 1.507 41 HD2 LYS 6 HD2 LYS 6 -16.700 6.718 3.162 42 HD3 LYS 6 HD1 LYS 6 -17.783 7.591 2.080 43 HE2 LYS 6 HE2 LYS 6 -18.755 7.521 4.280 44 HE3 LYS 6 HE1 LYS 6 -19.708 6.513 3.197 45 HZ1 LYS 6 HZ1 LYS 6 -18.700 4.564 4.123 46 HZ2 LYS 6 HZ2 LYS 6 -19.325 5.497 5.381 47 HZ3 LYS 6 HZ3 LYS 6 -17.660 5.488 5.083 48 H LYS 7 HN LYS 7 -17.509 0.822 2.428 49 HA LYS 7 HA LYS 7 -15.110 0.084 3.629 50 HB2 LYS 7 HB2 LYS 7 -17.321 -1.609 2.465 51 HB3 LYS 7 HB1 LYS 7 -15.963 -2.296 3.344 52 HG2 LYS 7 HG2 LYS 7 -17.787 -0.218 4.520 53 HG3 LYS 7 HG1 LYS 7 -18.081 -1.951 4.659 54 HD2 LYS 7 HD2 LYS 7 -15.951 -2.243 5.792 55 HD3 LYS 7 HD1 LYS 7 -15.592 -0.526 5.598 56 HE2 LYS 7 HE2 LYS 7 -17.959 -1.608 7.118 57 HE3 LYS 7 HE1 LYS 7 -16.427 -1.155 7.862 58 HZ1 LYS 7 HZ1 LYS 7 -18.219 0.664 6.347 59 HZ2 LYS 7 HZ2 LYS 7 -16.746 1.100 7.057 60 HZ3 LYS 7 HZ3 LYS 7 -18.042 0.623 8.029 61 H ARG 8 HN ARG 8 -16.232 -0.387 0.336 62 HA ARG 8 HA ARG 8 -14.057 -2.014 -0.507 63 HB2 ARG 8 HB2 ARG 8 -16.324 -1.849 -1.603 64 HB3 ARG 8 HB1 ARG 8 -15.858 -0.269 -2.205 65 HG2 ARG 8 HG2 ARG 8 -14.307 -2.763 -2.844 66 HG3 ARG 8 HG1 ARG 8 -15.670 -2.212 -3.814 67 HD2 ARG 8 HD2 ARG 8 -13.076 -0.765 -3.311 68 HD3 ARG 8 HD1 ARG 8 -13.643 -1.440 -4.837 69 HE ARG 8 HE ARG 8 -15.566 0.370 -4.100 70 HH11 ARG 8 HH11 ARG 8 -12.133 0.482 -4.785 71 HH12 ARG 8 HH12 ARG 8 -12.154 2.152 -5.256 72 HH21 ARG 8 HH21 ARG 8 -15.600 2.555 -4.714 73 HH22 ARG 8 HH22 ARG 8 -14.135 3.331 -5.229 74 H ALA 9 HN ALA 9 -14.721 1.451 -0.560 75 HA ALA 9 HA ALA 9 -12.462 2.112 -2.170 76 HB1 ALA 9 HB1 ALA 9 -14.459 3.521 -2.080 77 HB2 ALA 9 HB2 ALA 9 -13.005 4.421 -1.644 78 HB3 ALA 9 HB3 ALA 9 -14.123 3.886 -0.388 79 H GLN 10 HN GLN 10 -13.092 2.086 1.315 80 HA GLN 10 HA GLN 10 -10.617 3.375 1.949 81 HB2 GLN 10 HB2 GLN 10 -11.173 2.959 4.256 82 HB3 GLN 10 HB1 GLN 10 -12.596 3.539 3.407 83 HG2 GLN 10 HG2 GLN 10 -13.439 1.253 3.270 84 HG3 GLN 10 HG1 GLN 10 -12.011 0.679 4.130 85 HE21 GLN 10 HE21 GLN 10 -11.940 3.018 5.874 86 HE22 GLN 10 HE22 GLN 10 -13.216 2.794 7.017 87 H ARG 11 HN ARG 11 -11.641 0.065 1.544 88 HA ARG 11 HA ARG 11 -9.442 -1.154 2.839 89 HB2 ARG 11 HB2 ARG 11 -10.129 -3.175 1.911 90 HB3 ARG 11 HB1 ARG 11 -11.628 -2.256 1.919 91 HG2 ARG 11 HG2 ARG 11 -11.438 -1.793 -0.417 92 HG3 ARG 11 HG1 ARG 11 -9.816 -2.484 -0.472 93 HD2 ARG 11 HD2 ARG 11 -11.374 -4.062 -1.391 94 HD3 ARG 11 HD1 ARG 11 -10.781 -4.678 0.151 95 HE ARG 11 HE ARG 11 -12.981 -3.609 1.015 96 HH11 ARG 11 HH11 ARG 11 -12.522 -5.286 -2.028 97 HH12 ARG 11 HH12 ARG 11 -14.174 -5.806 -2.138 98 HH21 ARG 11 HH21 ARG 11 -15.143 -4.328 0.900 99 HH22 ARG 11 HH22 ARG 11 -15.664 -5.264 -0.466 100 H ILE 12 HN ILE 12 -9.844 0.412 -0.209 101 HA ILE 12 HA ILE 12 -7.649 -0.660 -1.604 102 HB ILE 12 HB ILE 12 -8.963 2.048 -1.868 103 HG12 ILE 12 HG12 ILE 12 -10.506 0.213 -2.272 104 HG13 ILE 12 HG11 ILE 12 -10.116 1.007 -3.793 105 HG21 ILE 12 HG21 ILE 12 -7.095 0.640 -3.774 106 HG22 ILE 12 HG22 ILE 12 -6.733 2.095 -2.845 107 HG23 ILE 12 HG23 ILE 12 -7.965 2.139 -4.106 108 HD11 ILE 12 HD11 ILE 12 -8.959 -1.589 -2.800 109 HD12 ILE 12 HD12 ILE 12 -8.545 -0.794 -4.319 110 HD13 ILE 12 HD13 ILE 12 -10.181 -1.399 -4.055 111 H LEU 13 HN LEU 13 -7.920 1.862 0.806 112 HA LEU 13 HA LEU 13 -5.436 3.076 0.526 113 HB2 LEU 13 HB2 LEU 13 -7.168 3.975 1.976 114 HB3 LEU 13 HB1 LEU 13 -7.049 2.575 3.023 115 HG LEU 13 HG LEU 13 -4.745 3.239 3.626 116 HD11 LEU 13 HD11 LEU 13 -4.146 4.450 1.611 117 HD12 LEU 13 HD12 LEU 13 -3.954 5.480 3.031 118 HD13 LEU 13 HD13 LEU 13 -5.350 5.685 1.975 119 HD21 LEU 13 HD21 LEU 13 -6.839 5.365 4.054 120 HD22 LEU 13 HD22 LEU 13 -5.368 5.164 5.004 121 HD23 LEU 13 HD23 LEU 13 -6.612 3.915 5.031 122 H ILE 14 HN ILE 14 -6.375 0.093 2.108 123 HA ILE 14 HA ILE 14 -3.933 -0.462 3.413 124 HB ILE 14 HB ILE 14 -5.919 -2.462 2.309 125 HG12 ILE 14 HG12 ILE 14 -5.850 -1.187 5.056 126 HG13 ILE 14 HG11 ILE 14 -6.965 -0.727 3.773 127 HG21 ILE 14 HG21 ILE 14 -3.905 -2.681 4.547 128 HG22 ILE 14 HG22 ILE 14 -3.794 -3.453 2.966 129 HG23 ILE 14 HG23 ILE 14 -5.071 -3.920 4.090 130 HD11 ILE 14 HD11 ILE 14 -7.939 -2.953 3.808 131 HD12 ILE 14 HD12 ILE 14 -8.010 -2.204 5.403 132 HD13 ILE 14 HD13 ILE 14 -6.800 -3.440 5.063 133 H PHE 15 HN PHE 15 -5.208 -1.325 0.230 134 HA PHE 15 HA PHE 15 -2.975 -2.824 -0.625 135 HB2 PHE 15 HB2 PHE 15 -5.119 -1.381 -2.196 136 HB3 PHE 15 HB1 PHE 15 -3.917 -2.441 -2.924 137 HD1 PHE 15 HD1 PHE 15 -6.839 -2.298 -0.704 138 HD2 PHE 15 HD2 PHE 15 -4.087 -4.812 -2.752 139 HE1 PHE 15 HE1 PHE 15 -8.279 -4.233 -0.247 140 HE2 PHE 15 HE2 PHE 15 -5.524 -6.759 -2.297 141 HZ PHE 15 HZ PHE 15 -7.625 -6.469 -1.043 142 H LEU 16 HN LEU 16 -3.873 0.585 -1.039 143 HA LEU 16 HA LEU 16 -1.711 1.398 -2.619 144 HB2 LEU 16 HB2 LEU 16 -3.031 3.005 -0.428 145 HB3 LEU 16 HB1 LEU 16 -2.106 3.642 -1.772 146 HG LEU 16 HG LEU 16 -4.759 2.232 -1.973 147 HD11 LEU 16 HD11 LEU 16 -4.929 4.464 -0.995 148 HD12 LEU 16 HD12 LEU 16 -5.624 4.421 -2.615 149 HD13 LEU 16 HD13 LEU 16 -4.032 5.133 -2.357 150 HD21 LEU 16 HD21 LEU 16 -4.694 2.920 -4.331 151 HD22 LEU 16 HD22 LEU 16 -3.387 1.805 -3.931 152 HD23 LEU 16 HD23 LEU 16 -3.055 3.529 -4.097 153 H LEU 17 HN LEU 17 -2.086 1.340 0.895 154 HA LEU 17 HA LEU 17 0.403 2.304 1.636 155 HB2 LEU 17 HB2 LEU 17 -1.378 1.964 3.227 156 HB3 LEU 17 HB1 LEU 17 -1.335 0.232 2.962 157 HG LEU 17 HG LEU 17 0.905 0.133 3.962 158 HD11 LEU 17 HD11 LEU 17 1.688 2.356 3.386 159 HD12 LEU 17 HD12 LEU 17 1.799 2.093 5.126 160 HD13 LEU 17 HD13 LEU 17 0.492 3.075 4.464 161 HD21 LEU 17 HD21 LEU 17 -1.152 1.525 5.665 162 HD22 LEU 17 HD22 LEU 17 0.215 0.583 6.261 163 HD23 LEU 17 HD23 LEU 17 -1.070 -0.205 5.345 164 H GLU 18 HN GLU 18 -0.539 -1.123 1.281 165 HA GLU 18 HA GLU 18 2.007 -2.177 1.743 166 HB2 GLU 18 HB2 GLU 18 -0.325 -3.287 0.186 167 HB3 GLU 18 HB1 GLU 18 1.135 -4.208 0.521 168 HG2 GLU 18 HG2 GLU 18 0.742 -3.899 2.933 169 HG3 GLU 18 HG1 GLU 18 -0.762 -3.063 2.554 170 H PHE 19 HN PHE 19 0.528 -1.010 -1.234 171 HA PHE 19 HA PHE 19 2.581 -1.930 -2.974 172 HB2 PHE 19 HB2 PHE 19 0.319 -1.272 -3.757 173 HB3 PHE 19 HB1 PHE 19 0.684 0.401 -3.348 174 HD1 PHE 19 HD2 PHE 19 1.464 -2.371 -5.628 175 HD2 PHE 19 HD1 PHE 19 2.052 1.752 -4.766 176 HE1 PHE 19 HE2 PHE 19 2.424 -2.046 -7.868 177 HE2 PHE 19 HE1 PHE 19 3.013 2.085 -7.006 178 HZ PHE 19 HZ PHE 19 3.202 0.185 -8.559 179 H LEU 20 HN LEU 20 1.959 1.178 -1.380 180 HA LEU 20 HA LEU 20 4.149 2.583 -2.409 181 HB2 LEU 20 HB2 LEU 20 2.359 2.851 -0.061 182 HB3 LEU 20 HB1 LEU 20 3.861 3.750 -0.017 183 HG LEU 20 HG LEU 20 3.261 5.069 -1.882 184 HD11 LEU 20 HD11 LEU 20 1.274 4.677 -3.247 185 HD12 LEU 20 HD12 LEU 20 0.940 3.200 -2.343 186 HD13 LEU 20 HD13 LEU 20 2.392 3.316 -3.337 187 HD21 LEU 20 HD21 LEU 20 2.128 5.689 0.175 188 HD22 LEU 20 HD22 LEU 20 0.793 4.605 -0.221 189 HD23 LEU 20 HD23 LEU 20 1.106 6.022 -1.225 190 H LEU 21 HN LEU 21 3.877 0.549 0.478 191 HA LEU 21 HA LEU 21 6.529 1.012 1.393 192 HB2 LEU 21 HB2 LEU 21 4.811 -1.418 1.892 193 HB3 LEU 21 HB1 LEU 21 6.168 -0.871 2.861 194 HG LEU 21 HG LEU 21 3.546 0.575 2.533 195 HD11 LEU 21 HD11 LEU 21 3.317 -1.442 3.855 196 HD12 LEU 21 HD12 LEU 21 3.192 -0.016 4.884 197 HD13 LEU 21 HD13 LEU 21 4.681 -0.960 4.864 198 HD21 LEU 21 HD21 LEU 21 5.377 2.134 2.861 199 HD22 LEU 21 HD22 LEU 21 5.942 1.208 4.251 200 HD23 LEU 21 HD23 LEU 21 4.389 2.040 4.319 201 H ASP 22 HN ASP 22 5.021 -1.448 -0.616 202 HA ASP 22 HA ASP 22 7.261 -3.103 -0.987 203 HB2 ASP 22 HB2 ASP 22 4.914 -3.680 -1.637 204 HB3 ASP 22 HB1 ASP 22 5.061 -2.567 -2.992 205 H PHE 23 HN PHE 23 6.051 -0.368 -2.890 206 HA PHE 23 HA PHE 23 8.127 -0.304 -4.783 207 HB2 PHE 23 HB2 PHE 23 6.056 0.921 -5.127 208 HB3 PHE 23 HB1 PHE 23 6.372 1.920 -3.714 209 HD1 PHE 23 HD1 PHE 23 7.697 1.073 -7.076 210 HD2 PHE 23 HD2 PHE 23 7.526 3.927 -3.926 211 HE1 PHE 23 HE1 PHE 23 8.845 2.713 -8.505 212 HE2 PHE 23 HE2 PHE 23 8.675 5.572 -5.350 213 HZ PHE 23 HZ PHE 23 9.336 4.965 -7.643 214 H CYS 24 HN CYS 24 7.777 1.217 -1.623 215 HA CYS 24 HA CYS 24 9.940 2.932 -1.620 216 HB2 CYS 24 HB2 CYS 24 8.268 2.863 0.165 217 HB3 CYS 24 HB1 CYS 24 8.857 1.287 0.676 218 HG CYS 24 HG CYS 24 10.557 4.249 0.896 219 H THR 25 HN THR 25 9.888 -0.537 -0.900 220 HA THR 25 HA THR 25 12.779 -0.490 -0.497 221 HB THR 25 HB THR 25 11.571 -1.744 1.153 222 HG1 THR 25 HG1 THR 25 12.648 -3.792 -0.467 223 HG21 THR 25 HG21 THR 25 9.557 -2.265 -0.116 224 HG22 THR 25 HG22 THR 25 10.237 -3.723 0.606 225 HG23 THR 25 HG23 THR 25 10.466 -3.398 -1.113 226 H GLY 26 HN GLY 26 10.374 -1.674 -2.753 227 HA2 GLY 26 HA2 GLY 26 12.561 -2.750 -4.417 228 HA3 GLY 26 HA1 GLY 26 10.962 -3.462 -4.349 229 H GLU 27 HN GLU 27 12.612 -0.432 -5.166 230 HA GLU 27 HA GLU 27 10.549 0.394 -6.981 231 HB2 GLU 27 HB2 GLU 27 13.380 1.350 -6.538 232 HB3 GLU 27 HB1 GLU 27 12.290 2.073 -7.712 233 HG2 GLU 27 HG2 GLU 27 10.790 2.767 -5.989 234 HG3 GLU 27 HG1 GLU 27 11.703 1.878 -4.772 235 H ASP 28 HN ASP 28 13.255 -1.682 -7.103 236 HA ASP 28 HA ASP 28 12.927 -1.973 -10.007 237 HB2 ASP 28 HB2 ASP 28 14.952 -0.719 -9.775 238 HB3 ASP 28 HB1 ASP 28 15.519 -1.755 -8.471 239 H SER 29 HN SER 29 14.748 -3.469 -7.334 240 HA SER 29 HA SER 29 14.380 -6.068 -8.554 241 HB2 SER 29 HB2 SER 29 15.818 -5.310 -6.001 242 HB3 SER 29 HB1 SER 29 15.936 -6.853 -6.850 243 HG SER 29 HG SER 29 16.449 -4.715 -8.479 244 H VAL 30 HN VAL 30 13.574 -7.908 -7.372 245 HA VAL 30 HA VAL 30 11.909 -9.013 -6.321 246 HB VAL 30 HB VAL 30 12.183 -6.876 -4.210 247 HG11 VAL 30 HG11 VAL 30 10.188 -8.274 -3.952 248 HG12 VAL 30 HG12 VAL 30 11.357 -8.589 -2.671 249 HG13 VAL 30 HG13 VAL 30 11.193 -9.721 -4.013 250 HG21 VAL 30 HG21 VAL 30 14.353 -7.871 -4.722 251 HG22 VAL 30 HG22 VAL 30 13.675 -9.481 -4.481 252 HG23 VAL 30 HG23 VAL 30 13.791 -8.361 -3.124 253 H ASP 31 HN ASP 31 10.613 -8.211 -8.146 254 HA ASP 31 HA ASP 31 8.338 -6.635 -7.188 255 HB2 ASP 31 HB2 ASP 31 9.778 -5.097 -8.465 256 HB3 ASP 31 HB1 ASP 31 9.725 -6.189 -9.843 257 H GLY 32 HN GLY 32 7.486 -8.816 -7.002 258 HA2 GLY 32 HA2 GLY 32 6.265 -9.611 -9.567 259 HA3 GLY 32 HA1 GLY 32 6.912 -10.826 -8.474 260 H LYS 33 HN LYS 33 6.122 -10.289 -6.089 261 HA LYS 33 HA LYS 33 4.424 -10.387 -4.599 262 HB2 LYS 33 HB2 LYS 33 3.053 -8.510 -6.528 263 HB3 LYS 33 HB1 LYS 33 2.493 -8.862 -4.904 264 HG2 LYS 33 HG2 LYS 33 3.572 -6.836 -4.659 265 HG3 LYS 33 HG1 LYS 33 4.800 -7.994 -4.153 266 HD2 LYS 33 HD2 LYS 33 5.945 -6.493 -5.534 267 HD3 LYS 33 HD1 LYS 33 5.639 -7.888 -6.566 268 HE2 LYS 33 HE2 LYS 33 3.976 -5.373 -6.513 269 HE3 LYS 33 HE1 LYS 33 5.235 -5.717 -7.690 270 HZ1 LYS 33 HZ1 LYS 33 2.648 -7.111 -7.334 271 HZ2 LYS 33 HZ2 LYS 33 3.895 -7.744 -8.278 272 HZ3 LYS 33 HZ3 LYS 33 3.191 -6.262 -8.690 273 H LYS 34 HN LYS 34 4.456 -12.635 -5.793 274 HA LYS 34 HA LYS 34 2.139 -13.257 -7.338 275 HB2 LYS 34 HB2 LYS 34 4.011 -15.113 -5.863 276 HB3 LYS 34 HB1 LYS 34 2.878 -15.566 -7.119 277 HG2 LYS 34 HG2 LYS 34 5.281 -13.792 -7.455 278 HG3 LYS 34 HG1 LYS 34 5.134 -15.464 -7.993 279 HD2 LYS 34 HD2 LYS 34 3.462 -13.145 -8.966 280 HD3 LYS 34 HD1 LYS 34 4.814 -13.871 -9.835 281 HE2 LYS 34 HE2 LYS 34 3.591 -16.019 -9.869 282 HE3 LYS 34 HE1 LYS 34 2.225 -15.230 -9.085 283 HZ1 LYS 34 HZ1 LYS 34 1.936 -15.376 -11.481 284 HZ2 LYS 34 HZ2 LYS 34 3.351 -14.487 -11.727 285 HZ3 LYS 34 HZ3 LYS 34 2.018 -13.766 -10.981 286 H ARG 35 HN ARG 35 0.190 -13.115 -6.437 287 HA ARG 35 HA ARG 35 -0.277 -14.517 -3.918 288 HB2 ARG 35 HB2 ARG 35 0.022 -12.187 -3.275 289 HB3 ARG 35 HB1 ARG 35 -1.145 -11.676 -4.485 290 HG2 ARG 35 HG2 ARG 35 -2.108 -11.651 -2.249 291 HG3 ARG 35 HG1 ARG 35 -2.922 -12.825 -3.283 292 HD2 ARG 35 HD2 ARG 35 -2.544 -13.740 -1.059 293 HD3 ARG 35 HD1 ARG 35 -1.616 -14.625 -2.268 294 HE ARG 35 HE ARG 35 -0.260 -12.482 -0.824 295 HH11 ARG 35 HH11 ARG 35 -0.794 -15.919 -1.237 296 HH12 ARG 35 HH12 ARG 35 0.646 -16.370 -0.379 297 HH21 ARG 35 HH21 ARG 35 1.624 -13.078 0.310 298 HH22 ARG 35 HH22 ARG 35 2.031 -14.756 0.482 299 H GLN 36 HN GLN 36 -1.756 -15.976 -4.334 300 HA GLN 36 HA GLN 36 -4.086 -15.201 -5.937 301 HB2 GLN 36 HB2 GLN 36 -4.140 -17.643 -6.704 302 HB3 GLN 36 HB1 GLN 36 -2.935 -16.595 -7.438 303 HG2 GLN 36 HG2 GLN 36 -1.213 -17.515 -6.018 304 HG3 GLN 36 HG1 GLN 36 -2.403 -18.499 -5.168 305 HE21 GLN 36 HE21 GLN 36 -1.370 -20.406 -5.695 306 HE22 GLN 36 HE22 GLN 36 -1.386 -21.063 -7.293 Start of MODEL 4 1 H1 THR 1 HT1 THR 1 -29.385 -1.027 5.171 2 H2 THR 1 HT2 THR 1 -29.294 -2.579 5.831 3 H3 THR 1 HT3 THR 1 -30.214 -2.306 4.439 4 HA THR 1 HA THR 1 -28.140 -3.386 3.900 5 HB THR 1 HB THR 1 -29.178 -1.773 2.298 6 HG1 THR 1 HG1 THR 1 -27.511 -2.024 0.977 7 HG21 THR 1 HG21 THR 1 -27.179 0.169 3.458 8 HG22 THR 1 HG22 THR 1 -28.935 0.285 3.572 9 HG23 THR 1 HG23 THR 1 -28.141 0.436 2.005 10 H TRP 2 HN TRP 2 -25.865 -3.373 3.918 11 HA TRP 2 HA TRP 2 -24.713 -2.272 6.282 12 HB2 TRP 2 HB2 TRP 2 -24.116 -4.473 5.058 13 HB3 TRP 2 HB1 TRP 2 -23.134 -3.452 4.013 14 HD1 TRP 2 HD1 TRP 2 -23.310 -4.804 7.573 15 HE1 TRP 2 HE1 TRP 2 -21.032 -4.438 8.716 16 HE3 TRP 2 HE3 TRP 2 -21.081 -1.929 3.999 17 HZ2 TRP 2 HZ2 TRP 2 -18.606 -3.103 8.160 18 HZ3 TRP 2 HZ3 TRP 2 -18.774 -1.150 4.372 19 HH2 TRP 2 HH2 TRP 2 -17.567 -1.726 6.414 20 H SER 3 HN SER 3 -23.971 -0.295 6.515 21 HA SER 3 HA SER 3 -23.654 1.395 4.188 22 HB2 SER 3 HB2 SER 3 -23.454 3.200 5.962 23 HB3 SER 3 HB1 SER 3 -24.987 2.328 5.928 24 HG SER 3 HG SER 3 -22.805 1.911 7.704 25 H GLY 4 HN GLY 4 -21.796 1.938 3.350 26 HA2 GLY 4 HA2 GLY 4 -19.405 2.196 4.972 27 HA3 GLY 4 HA1 GLY 4 -19.351 0.937 3.743 28 H THR 5 HN THR 5 -19.891 4.381 4.242 29 HA THR 5 HA THR 5 -20.121 5.155 1.579 30 HB THR 5 HB THR 5 -19.317 7.425 2.472 31 HG1 THR 5 HG1 THR 5 -18.812 7.563 4.557 32 HG21 THR 5 HG21 THR 5 -21.416 7.786 3.691 33 HG22 THR 5 HG22 THR 5 -21.649 6.043 3.804 34 HG23 THR 5 HG23 THR 5 -21.678 6.833 2.230 35 H LYS 6 HN LYS 6 -17.214 5.317 3.653 36 HA LYS 6 HA LYS 6 -15.613 5.380 1.183 37 HB2 LYS 6 HB2 LYS 6 -14.877 6.352 3.947 38 HB3 LYS 6 HB1 LYS 6 -13.848 6.432 2.524 39 HG2 LYS 6 HG2 LYS 6 -15.370 7.962 1.454 40 HG3 LYS 6 HG1 LYS 6 -16.512 7.804 2.793 41 HD2 LYS 6 HD2 LYS 6 -15.165 9.880 2.905 42 HD3 LYS 6 HD1 LYS 6 -14.942 8.835 4.307 43 HE2 LYS 6 HE2 LYS 6 -12.863 7.986 3.350 44 HE3 LYS 6 HE1 LYS 6 -13.091 9.011 1.935 45 HZ1 LYS 6 HZ1 LYS 6 -12.707 9.954 4.724 46 HZ2 LYS 6 HZ2 LYS 6 -12.941 10.949 3.374 47 HZ3 LYS 6 HZ3 LYS 6 -11.547 9.999 3.493 48 H LYS 7 HN LYS 7 -16.595 3.290 3.511 49 HA LYS 7 HA LYS 7 -14.195 2.126 4.402 50 HB2 LYS 7 HB2 LYS 7 -16.980 0.987 4.218 51 HB3 LYS 7 HB1 LYS 7 -15.633 0.127 4.949 52 HG2 LYS 7 HG2 LYS 7 -15.370 2.144 6.473 53 HG3 LYS 7 HG1 LYS 7 -16.952 2.655 5.879 54 HD2 LYS 7 HD2 LYS 7 -17.933 0.561 6.647 55 HD3 LYS 7 HD1 LYS 7 -16.352 0.009 7.202 56 HE2 LYS 7 HE2 LYS 7 -16.288 1.979 8.732 57 HE3 LYS 7 HE1 LYS 7 -17.945 2.340 8.257 58 HZ1 LYS 7 HZ1 LYS 7 -18.591 0.145 9.093 59 HZ2 LYS 7 HZ2 LYS 7 -17.924 1.109 10.308 60 HZ3 LYS 7 HZ3 LYS 7 -17.008 -0.130 9.614 61 H ARG 8 HN ARG 8 -16.099 1.565 1.492 62 HA ARG 8 HA ARG 8 -14.626 -0.820 0.811 63 HB2 ARG 8 HB2 ARG 8 -16.622 0.838 -0.723 64 HB3 ARG 8 HB1 ARG 8 -15.785 -0.523 -1.436 65 HG2 ARG 8 HG2 ARG 8 -17.818 -1.410 -0.782 66 HG3 ARG 8 HG1 ARG 8 -16.726 -1.882 0.519 67 HD2 ARG 8 HD2 ARG 8 -17.536 -0.077 1.905 68 HD3 ARG 8 HD1 ARG 8 -18.542 0.521 0.587 69 HE ARG 8 HE ARG 8 -18.961 -2.143 1.774 70 HH11 ARG 8 HH11 ARG 8 -20.171 0.995 0.794 71 HH12 ARG 8 HH12 ARG 8 -21.833 0.579 1.069 72 HH21 ARG 8 HH21 ARG 8 -21.134 -2.698 2.131 73 HH22 ARG 8 HH22 ARG 8 -22.384 -1.526 1.853 74 H ALA 9 HN ALA 9 -14.281 2.565 0.347 75 HA ALA 9 HA ALA 9 -12.414 2.329 -1.844 76 HB1 ALA 9 HB1 ALA 9 -12.129 4.743 -1.588 77 HB2 ALA 9 HB2 ALA 9 -13.086 4.707 -0.108 78 HB3 ALA 9 HB3 ALA 9 -13.836 4.312 -1.654 79 H GLN 10 HN GLN 10 -12.299 3.010 1.625 80 HA GLN 10 HA GLN 10 -9.488 3.408 1.697 81 HB2 GLN 10 HB2 GLN 10 -11.467 2.826 3.898 82 HB3 GLN 10 HB1 GLN 10 -9.780 3.246 4.170 83 HG2 GLN 10 HG2 GLN 10 -10.145 5.384 3.026 84 HG3 GLN 10 HG1 GLN 10 -11.843 4.968 2.817 85 HE21 GLN 10 HE21 GLN 10 -10.617 7.196 4.213 86 HE22 GLN 10 HE22 GLN 10 -11.187 7.118 5.844 87 H ARG 11 HN ARG 11 -11.475 0.571 1.786 88 HA ARG 11 HA ARG 11 -9.476 -1.119 2.924 89 HB2 ARG 11 HB2 ARG 11 -10.853 -2.968 2.327 90 HB3 ARG 11 HB1 ARG 11 -11.926 -1.678 2.845 91 HG2 ARG 11 HG2 ARG 11 -12.420 -1.149 0.517 92 HG3 ARG 11 HG1 ARG 11 -11.346 -2.449 -0.005 93 HD2 ARG 11 HD2 ARG 11 -12.742 -4.077 1.165 94 HD3 ARG 11 HD1 ARG 11 -13.808 -2.782 1.705 95 HE ARG 11 HE ARG 11 -13.617 -2.725 -1.102 96 HH11 ARG 11 HH11 ARG 11 -15.000 -4.643 1.484 97 HH12 ARG 11 HH12 ARG 11 -16.282 -5.271 0.500 98 HH21 ARG 11 HH21 ARG 11 -15.311 -3.525 -2.391 99 HH22 ARG 11 HH22 ARG 11 -16.462 -4.633 -1.710 100 H ILE 12 HN ILE 12 -10.089 0.187 -0.211 101 HA ILE 12 HA ILE 12 -8.323 -1.604 -1.613 102 HB ILE 12 HB ILE 12 -9.436 1.085 -2.445 103 HG12 ILE 12 HG12 ILE 12 -10.315 -1.720 -3.171 104 HG13 ILE 12 HG11 ILE 12 -11.164 -0.640 -2.072 105 HG21 ILE 12 HG21 ILE 12 -7.404 0.559 -3.668 106 HG22 ILE 12 HG22 ILE 12 -8.808 0.415 -4.724 107 HG23 ILE 12 HG23 ILE 12 -8.038 -1.034 -4.077 108 HD11 ILE 12 HD11 ILE 12 -10.698 -0.151 -5.004 109 HD12 ILE 12 HD12 ILE 12 -11.570 0.913 -3.902 110 HD13 ILE 12 HD13 ILE 12 -12.205 -0.691 -4.268 111 H LEU 13 HN LEU 13 -8.150 1.548 -0.084 112 HA LEU 13 HA LEU 13 -5.632 2.360 -0.917 113 HB2 LEU 13 HB2 LEU 13 -6.984 2.825 1.738 114 HB3 LEU 13 HB1 LEU 13 -5.556 3.679 1.189 115 HG LEU 13 HG LEU 13 -8.294 3.801 -0.082 116 HD11 LEU 13 HD11 LEU 13 -6.728 5.856 1.471 117 HD12 LEU 13 HD12 LEU 13 -8.153 4.992 2.042 118 HD13 LEU 13 HD13 LEU 13 -8.288 6.115 0.691 119 HD21 LEU 13 HD21 LEU 13 -5.704 5.156 -0.818 120 HD22 LEU 13 HD22 LEU 13 -7.285 5.605 -1.455 121 HD23 LEU 13 HD23 LEU 13 -6.622 4.007 -1.793 122 H ILE 14 HN ILE 14 -6.554 -0.102 1.323 123 HA ILE 14 HA ILE 14 -4.154 -0.356 2.780 124 HB ILE 14 HB ILE 14 -6.132 -2.528 2.062 125 HG12 ILE 14 HG12 ILE 14 -6.004 -0.780 4.531 126 HG13 ILE 14 HG11 ILE 14 -7.137 -0.549 3.204 127 HG21 ILE 14 HG21 ILE 14 -4.078 -2.370 4.270 128 HG22 ILE 14 HG22 ILE 14 -4.018 -3.428 2.861 129 HG23 ILE 14 HG23 ILE 14 -5.276 -3.648 4.076 130 HD11 ILE 14 HD11 ILE 14 -8.135 -2.711 3.657 131 HD12 ILE 14 HD12 ILE 14 -8.159 -1.693 5.097 132 HD13 ILE 14 HD13 ILE 14 -6.972 -2.990 4.953 133 H PHE 15 HN PHE 15 -5.295 -1.950 -0.181 134 HA PHE 15 HA PHE 15 -3.023 -3.572 -0.582 135 HB2 PHE 15 HB2 PHE 15 -5.001 -2.472 -2.594 136 HB3 PHE 15 HB1 PHE 15 -3.831 -3.744 -2.927 137 HD1 PHE 15 HD2 PHE 15 -6.881 -2.882 -1.074 138 HD2 PHE 15 HD1 PHE 15 -4.192 -5.981 -2.192 139 HE1 PHE 15 HE2 PHE 15 -8.500 -4.558 -0.294 140 HE2 PHE 15 HE1 PHE 15 -5.808 -7.665 -1.414 141 HZ PHE 15 HZ PHE 15 -7.965 -6.955 -0.465 142 H LEU 16 HN LEU 16 -3.885 -0.340 -1.680 143 HA LEU 16 HA LEU 16 -1.600 0.121 -3.276 144 HB2 LEU 16 HB2 LEU 16 -3.147 2.206 -1.742 145 HB3 LEU 16 HB1 LEU 16 -2.202 2.442 -3.200 146 HG LEU 16 HG LEU 16 -4.789 0.907 -2.987 147 HD11 LEU 16 HD11 LEU 16 -4.145 3.513 -4.353 148 HD12 LEU 16 HD12 LEU 16 -5.034 3.342 -2.841 149 HD13 LEU 16 HD13 LEU 16 -5.710 2.700 -4.339 150 HD21 LEU 16 HD21 LEU 16 -4.655 0.715 -5.422 151 HD22 LEU 16 HD22 LEU 16 -3.302 -0.100 -4.638 152 HD23 LEU 16 HD23 LEU 16 -3.064 1.474 -5.397 153 H LEU 17 HN LEU 17 -2.311 0.648 0.126 154 HA LEU 17 HA LEU 17 0.026 1.973 0.887 155 HB2 LEU 17 HB2 LEU 17 -1.903 1.781 2.341 156 HB3 LEU 17 HB1 LEU 17 -1.712 0.041 2.418 157 HG LEU 17 HG LEU 17 0.408 0.325 3.624 158 HD11 LEU 17 HD11 LEU 17 1.013 2.557 4.466 159 HD12 LEU 17 HD12 LEU 17 -0.252 3.258 3.458 160 HD13 LEU 17 HD13 LEU 17 1.118 2.437 2.710 161 HD21 LEU 17 HD21 LEU 17 -1.679 0.085 4.867 162 HD22 LEU 17 HD22 LEU 17 -1.908 1.833 4.830 163 HD23 LEU 17 HD23 LEU 17 -0.551 1.141 5.721 164 H GLU 18 HN GLU 18 -0.709 -1.501 0.904 165 HA GLU 18 HA GLU 18 1.809 -2.384 1.767 166 HB2 GLU 18 HB2 GLU 18 -0.137 -3.838 -0.031 167 HB3 GLU 18 HB1 GLU 18 1.180 -4.575 0.870 168 HG2 GLU 18 HG2 GLU 18 0.042 -3.639 2.953 169 HG3 GLU 18 HG1 GLU 18 -1.355 -3.367 1.913 170 H PHE 19 HN PHE 19 0.685 -1.350 -1.345 171 HA PHE 19 HA PHE 19 2.945 -2.338 -2.805 172 HB2 PHE 19 HB2 PHE 19 0.771 -1.875 -3.893 173 HB3 PHE 19 HB1 PHE 19 0.965 -0.164 -3.531 174 HD1 PHE 19 HD1 PHE 19 2.170 -2.959 -5.575 175 HD2 PHE 19 HD2 PHE 19 2.436 1.218 -4.814 176 HE1 PHE 19 HE1 PHE 19 3.373 -2.652 -7.698 177 HE2 PHE 19 HE2 PHE 19 3.639 1.533 -6.934 178 HZ PHE 19 HZ PHE 19 4.110 -0.405 -8.380 179 H LEU 20 HN LEU 20 1.959 0.799 -1.482 180 HA LEU 20 HA LEU 20 4.115 2.298 -2.452 181 HB2 LEU 20 HB2 LEU 20 2.422 2.747 -0.000 182 HB3 LEU 20 HB1 LEU 20 3.496 3.938 -0.708 183 HG LEU 20 HG LEU 20 1.115 2.732 -2.118 184 HD11 LEU 20 HD11 LEU 20 0.058 4.910 -1.762 185 HD12 LEU 20 HD12 LEU 20 1.436 5.412 -0.783 186 HD13 LEU 20 HD13 LEU 20 0.405 4.089 -0.239 187 HD21 LEU 20 HD21 LEU 20 1.473 4.566 -3.719 188 HD22 LEU 20 HD22 LEU 20 2.841 3.458 -3.661 189 HD23 LEU 20 HD23 LEU 20 2.939 5.023 -2.851 190 H LEU 21 HN LEU 21 3.781 0.449 0.560 191 HA LEU 21 HA LEU 21 6.165 1.505 1.701 192 HB2 LEU 21 HB2 LEU 21 5.965 -0.318 3.353 193 HB3 LEU 21 HB1 LEU 21 4.521 0.655 3.186 194 HG LEU 21 HG LEU 21 3.718 -1.240 1.608 195 HD11 LEU 21 HD11 LEU 21 5.800 -2.708 3.219 196 HD12 LEU 21 HD12 LEU 21 5.838 -2.438 1.477 197 HD13 LEU 21 HD13 LEU 21 4.578 -3.448 2.185 198 HD21 LEU 21 HD21 LEU 21 2.659 -0.718 3.710 199 HD22 LEU 21 HD22 LEU 21 3.926 -1.566 4.597 200 HD23 LEU 21 HD23 LEU 21 2.822 -2.469 3.559 201 H ASP 22 HN ASP 22 5.677 -0.685 -0.775 202 HA ASP 22 HA ASP 22 8.385 -1.793 -0.453 203 HB2 ASP 22 HB2 ASP 22 6.609 -3.442 -0.897 204 HB3 ASP 22 HB1 ASP 22 6.189 -2.593 -2.379 205 H PHE 23 HN PHE 23 6.275 -0.040 -2.621 206 HA PHE 23 HA PHE 23 8.063 0.338 -4.763 207 HB2 PHE 23 HB2 PHE 23 5.545 0.645 -4.721 208 HB3 PHE 23 HB1 PHE 23 5.826 2.190 -3.938 209 HD1 PHE 23 HD2 PHE 23 6.943 0.308 -6.959 210 HD2 PHE 23 HD1 PHE 23 5.881 4.060 -5.256 211 HE1 PHE 23 HE2 PHE 23 7.176 1.370 -9.165 212 HE2 PHE 23 HE1 PHE 23 6.108 5.128 -7.460 213 HZ PHE 23 HZ PHE 23 6.757 3.784 -9.419 214 H CYS 24 HN CYS 24 7.910 1.749 -1.665 215 HA CYS 24 HA CYS 24 9.020 4.286 -2.126 216 HB2 CYS 24 HB2 CYS 24 9.576 4.278 0.245 217 HB3 CYS 24 HB1 CYS 24 7.973 3.596 -0.005 218 HG CYS 24 HG CYS 24 8.985 2.053 1.972 219 H THR 25 HN THR 25 10.395 1.211 -2.432 220 HA THR 25 HA THR 25 13.092 1.787 -1.803 221 HB THR 25 HB THR 25 13.598 -0.187 -3.300 222 HG1 THR 25 HG1 THR 25 10.804 -0.642 -3.352 223 HG21 THR 25 HG21 THR 25 12.559 -1.827 -1.784 224 HG22 THR 25 HG22 THR 25 11.522 -0.556 -1.138 225 HG23 THR 25 HG23 THR 25 13.267 -0.473 -0.907 226 H GLY 26 HN GLY 26 11.102 2.712 -4.421 227 HA2 GLY 26 HA2 GLY 26 11.532 4.078 -6.220 228 HA3 GLY 26 HA1 GLY 26 13.115 4.381 -5.511 229 H GLU 27 HN GLU 27 14.634 3.975 -6.936 230 HA GLU 27 HA GLU 27 14.420 1.843 -8.871 231 HB2 GLU 27 HB2 GLU 27 16.853 3.476 -8.117 232 HB3 GLU 27 HB1 GLU 27 16.633 2.530 -9.579 233 HG2 GLU 27 HG2 GLU 27 14.995 4.946 -8.855 234 HG3 GLU 27 HG1 GLU 27 16.404 4.969 -9.912 235 H ASP 28 HN ASP 28 16.648 2.636 -6.246 236 HA ASP 28 HA ASP 28 16.454 0.104 -4.989 237 HB2 ASP 28 HB2 ASP 28 17.939 -0.419 -6.991 238 HB3 ASP 28 HB1 ASP 28 19.130 0.672 -6.292 239 H SER 29 HN SER 29 15.921 2.436 -3.973 240 HA SER 29 HA SER 29 18.311 3.253 -2.457 241 HB2 SER 29 HB2 SER 29 17.085 5.511 -2.325 242 HB3 SER 29 HB1 SER 29 17.820 5.073 -3.867 243 HG SER 29 HG SER 29 15.081 4.804 -3.148 244 H VAL 30 HN VAL 30 17.823 4.225 -0.332 245 HA VAL 30 HA VAL 30 15.352 3.190 0.882 246 HB VAL 30 HB VAL 30 17.982 3.186 2.358 247 HG11 VAL 30 HG11 VAL 30 16.835 1.564 3.803 248 HG12 VAL 30 HG12 VAL 30 15.382 1.729 2.816 249 HG13 VAL 30 HG13 VAL 30 15.988 3.109 3.731 250 HG21 VAL 30 HG21 VAL 30 18.294 1.730 0.439 251 HG22 VAL 30 HG22 VAL 30 16.794 0.884 0.814 252 HG23 VAL 30 HG23 VAL 30 18.166 0.777 1.915 253 H ASP 31 HN ASP 31 15.382 5.684 0.011 254 HA ASP 31 HA ASP 31 16.485 7.480 2.017 255 HB2 ASP 31 HB2 ASP 31 15.145 7.968 -0.641 256 HB3 ASP 31 HB1 ASP 31 15.573 9.270 0.462 257 H GLY 32 HN GLY 32 15.376 8.201 3.669 258 HA2 GLY 32 HA2 GLY 32 13.643 9.408 4.658 259 HA3 GLY 32 HA1 GLY 32 12.618 9.017 3.290 260 H LYS 33 HN LYS 33 12.035 6.632 3.140 261 HA LYS 33 HA LYS 33 10.626 5.059 3.998 262 HB2 LYS 33 HB2 LYS 33 12.551 5.267 6.323 263 HB3 LYS 33 HB1 LYS 33 11.265 4.074 6.235 264 HG2 LYS 33 HG2 LYS 33 12.255 3.069 4.289 265 HG3 LYS 33 HG1 LYS 33 13.475 4.341 4.208 266 HD2 LYS 33 HD2 LYS 33 14.398 2.310 5.197 267 HD3 LYS 33 HD1 LYS 33 14.368 3.622 6.372 268 HE2 LYS 33 HE2 LYS 33 13.651 1.583 7.434 269 HE3 LYS 33 HE1 LYS 33 12.284 2.687 7.314 270 HZ1 LYS 33 HZ1 LYS 33 12.816 0.423 5.466 271 HZ2 LYS 33 HZ2 LYS 33 11.476 1.451 5.420 272 HZ3 LYS 33 HZ3 LYS 33 11.694 0.407 6.730 273 H LYS 34 HN LYS 34 9.629 7.533 4.071 274 HA LYS 34 HA LYS 34 8.930 8.476 6.663 275 HB2 LYS 34 HB2 LYS 34 7.501 10.074 5.471 276 HB3 LYS 34 HB1 LYS 34 9.111 9.998 4.774 277 HG2 LYS 34 HG2 LYS 34 8.235 8.529 2.996 278 HG3 LYS 34 HG1 LYS 34 6.620 8.711 3.677 279 HD2 LYS 34 HD2 LYS 34 6.906 10.229 1.811 280 HD3 LYS 34 HD1 LYS 34 6.764 11.143 3.313 281 HE2 LYS 34 HE2 LYS 34 9.176 11.434 3.386 282 HE3 LYS 34 HE1 LYS 34 9.357 10.459 1.929 283 HZ1 LYS 34 HZ1 LYS 34 9.462 12.822 1.447 284 HZ2 LYS 34 HZ2 LYS 34 7.920 13.049 2.102 285 HZ3 LYS 34 HZ3 LYS 34 8.115 12.118 0.704 286 H ARG 35 HN ARG 35 7.349 6.395 4.328 287 HA ARG 35 HA ARG 35 5.075 6.160 6.175 288 HB2 ARG 35 HB2 ARG 35 4.574 7.247 3.958 289 HB3 ARG 35 HB1 ARG 35 4.983 5.719 3.191 290 HG2 ARG 35 HG2 ARG 35 3.166 4.612 4.320 291 HG3 ARG 35 HG1 ARG 35 2.801 6.076 5.234 292 HD2 ARG 35 HD2 ARG 35 2.586 5.718 2.246 293 HD3 ARG 35 HD1 ARG 35 1.248 5.835 3.389 294 HE ARG 35 HE ARG 35 3.041 8.100 3.403 295 HH11 ARG 35 HH11 ARG 35 0.141 6.719 2.018 296 HH12 ARG 35 HH12 ARG 35 -0.491 8.248 1.501 297 HH21 ARG 35 HH21 ARG 35 2.219 10.106 2.725 298 HH22 ARG 35 HH22 ARG 35 0.690 10.177 1.904 299 H GLN 36 HN GLN 36 5.940 4.455 7.312 300 HA GLN 36 HA GLN 36 6.170 1.942 5.807 301 HB2 GLN 36 HB2 GLN 36 7.760 1.234 7.677 302 HB3 GLN 36 HB1 GLN 36 8.372 2.380 6.494 303 HG2 GLN 36 HG2 GLN 36 8.023 4.208 8.043 304 HG3 GLN 36 HG1 GLN 36 7.329 3.096 9.224 305 HE21 GLN 36 HE21 GLN 36 8.665 1.688 10.331 306 HE22 GLN 36 HE22 GLN 36 10.382 1.887 10.376 Start of MODEL 5 1 H1 THR 1 HT1 THR 1 -29.029 5.298 4.268 2 H2 THR 1 HT2 THR 1 -28.698 6.621 5.267 3 H3 THR 1 HT3 THR 1 -28.914 5.086 5.938 4 HA THR 1 HA THR 1 -26.731 5.809 4.089 5 HB THR 1 HB THR 1 -26.566 5.392 7.078 6 HG1 THR 1 HG1 THR 1 -26.044 7.734 6.972 7 HG21 THR 1 HG21 THR 1 -24.282 6.281 6.798 8 HG22 THR 1 HG22 THR 1 -24.536 6.350 5.054 9 HG23 THR 1 HG23 THR 1 -24.525 4.794 5.884 10 H TRP 2 HN TRP 2 -25.509 4.109 3.437 11 HA TRP 2 HA TRP 2 -26.286 1.452 4.402 12 HB2 TRP 2 HB2 TRP 2 -24.786 2.340 1.931 13 HB3 TRP 2 HB1 TRP 2 -25.005 0.653 2.384 14 HD1 TRP 2 HD1 TRP 2 -27.022 3.703 1.192 15 HE1 TRP 2 HE1 TRP 2 -29.231 2.863 0.173 16 HE3 TRP 2 HE3 TRP 2 -26.622 -1.259 2.361 17 HZ2 TRP 2 HZ2 TRP 2 -30.617 0.423 -0.099 18 HZ3 TRP 2 HZ3 TRP 2 -28.435 -2.777 1.683 19 HH2 TRP 2 HH2 TRP 2 -30.389 -1.952 0.479 20 H SER 3 HN SER 3 -24.695 -0.067 5.027 21 HA SER 3 HA SER 3 -22.288 1.154 6.132 22 HB2 SER 3 HB2 SER 3 -23.449 -1.610 6.566 23 HB3 SER 3 HB1 SER 3 -22.079 -0.917 7.434 24 HG SER 3 HG SER 3 -24.586 0.382 7.396 25 H GLY 4 HN GLY 4 -20.356 0.858 5.268 26 HA2 GLY 4 HA2 GLY 4 -18.658 -0.482 4.257 27 HA3 GLY 4 HA1 GLY 4 -19.917 -1.412 3.459 28 H THR 5 HN THR 5 -20.270 2.000 3.508 29 HA THR 5 HA THR 5 -20.336 2.143 0.681 30 HB THR 5 HB THR 5 -20.392 4.673 1.179 31 HG1 THR 5 HG1 THR 5 -20.749 5.203 3.339 32 HG21 THR 5 HG21 THR 5 -22.718 4.543 1.980 33 HG22 THR 5 HG22 THR 5 -22.478 2.839 2.361 34 HG23 THR 5 HG23 THR 5 -22.399 3.388 0.688 35 H LYS 6 HN LYS 6 -18.259 4.023 2.885 36 HA LYS 6 HA LYS 6 -16.323 4.334 0.745 37 HB2 LYS 6 HB2 LYS 6 -16.383 5.472 3.541 38 HB3 LYS 6 HB1 LYS 6 -15.179 5.867 2.319 39 HG2 LYS 6 HG2 LYS 6 -16.980 6.728 0.873 40 HG3 LYS 6 HG1 LYS 6 -18.134 6.409 2.167 41 HD2 LYS 6 HD2 LYS 6 -16.988 7.968 3.620 42 HD3 LYS 6 HD1 LYS 6 -15.745 8.232 2.396 43 HE2 LYS 6 HE2 LYS 6 -18.669 8.922 2.166 44 HE3 LYS 6 HE1 LYS 6 -17.339 10.058 2.375 45 HZ1 LYS 6 HZ1 LYS 6 -16.455 9.275 0.225 46 HZ2 LYS 6 HZ2 LYS 6 -17.971 10.005 0.084 47 HZ3 LYS 6 HZ3 LYS 6 -17.837 8.323 0.017 48 H LYS 7 HN LYS 7 -16.857 2.115 3.165 49 HA LYS 7 HA LYS 7 -14.216 1.591 4.026 50 HB2 LYS 7 HB2 LYS 7 -16.593 -0.269 3.865 51 HB3 LYS 7 HB1 LYS 7 -15.095 -0.624 4.714 52 HG2 LYS 7 HG2 LYS 7 -15.513 1.363 6.149 53 HG3 LYS 7 HG1 LYS 7 -17.081 1.539 5.363 54 HD2 LYS 7 HD2 LYS 7 -17.714 -0.701 6.125 55 HD3 LYS 7 HD1 LYS 7 -16.142 -0.880 6.906 56 HE2 LYS 7 HE2 LYS 7 -18.226 1.194 7.582 57 HE3 LYS 7 HE1 LYS 7 -17.883 -0.264 8.512 58 HZ1 LYS 7 HZ1 LYS 7 -16.807 1.663 9.474 59 HZ2 LYS 7 HZ2 LYS 7 -15.988 1.968 8.029 60 HZ3 LYS 7 HZ3 LYS 7 -15.646 0.569 8.911 61 H ARG 8 HN ARG 8 -16.071 0.622 1.225 62 HA ARG 8 HA ARG 8 -14.277 -1.377 0.304 63 HB2 ARG 8 HB2 ARG 8 -16.268 0.315 -1.218 64 HB3 ARG 8 HB1 ARG 8 -15.437 -1.088 -1.871 65 HG2 ARG 8 HG2 ARG 8 -17.419 -1.051 0.391 66 HG3 ARG 8 HG1 ARG 8 -17.665 -1.702 -1.230 67 HD2 ARG 8 HD2 ARG 8 -15.764 -3.284 -0.759 68 HD3 ARG 8 HD1 ARG 8 -15.826 -2.733 0.915 69 HE ARG 8 HE ARG 8 -18.350 -3.658 -0.130 70 HH11 ARG 8 HH11 ARG 8 -15.422 -4.533 1.578 71 HH12 ARG 8 HH12 ARG 8 -16.081 -5.998 2.225 72 HH21 ARG 8 HH21 ARG 8 -19.230 -5.578 0.738 73 HH22 ARG 8 HH22 ARG 8 -18.251 -6.587 1.753 74 H ALA 9 HN ALA 9 -14.268 2.057 0.230 75 HA ALA 9 HA ALA 9 -12.295 2.240 -1.885 76 HB1 ALA 9 HB1 ALA 9 -12.334 4.648 -1.407 77 HB2 ALA 9 HB2 ALA 9 -13.404 4.350 -0.036 78 HB3 ALA 9 HB3 ALA 9 -13.952 4.003 -1.676 79 H GLN 10 HN GLN 10 -12.455 2.600 1.628 80 HA GLN 10 HA GLN 10 -9.713 3.343 1.883 81 HB2 GLN 10 HB2 GLN 10 -11.645 2.333 3.974 82 HB3 GLN 10 HB1 GLN 10 -10.076 3.051 4.302 83 HG2 GLN 10 HG2 GLN 10 -12.382 4.440 2.958 84 HG3 GLN 10 HG1 GLN 10 -11.919 4.623 4.646 85 HE21 GLN 10 HE21 GLN 10 -11.576 6.808 4.443 86 HE22 GLN 10 HE22 GLN 10 -10.227 7.476 3.593 87 H ARG 11 HN ARG 11 -11.324 0.306 1.558 88 HA ARG 11 HA ARG 11 -9.198 -1.251 2.672 89 HB2 ARG 11 HB2 ARG 11 -10.274 -3.171 1.781 90 HB3 ARG 11 HB1 ARG 11 -11.559 -2.090 2.297 91 HG2 ARG 11 HG2 ARG 11 -11.951 -1.407 0.012 92 HG3 ARG 11 HG1 ARG 11 -10.598 -2.400 -0.538 93 HD2 ARG 11 HD2 ARG 11 -11.749 -4.404 0.268 94 HD3 ARG 11 HD1 ARG 11 -13.099 -3.409 0.809 95 HE ARG 11 HE ARG 11 -12.830 -2.819 -1.849 96 HH11 ARG 11 HH11 ARG 11 -13.313 -5.759 0.000 97 HH12 ARG 11 HH12 ARG 11 -14.188 -6.561 -1.268 98 HH21 ARG 11 HH21 ARG 11 -13.991 -3.864 -3.504 99 HH22 ARG 11 HH22 ARG 11 -14.585 -5.476 -3.253 100 H ILE 12 HN ILE 12 -9.909 0.167 -0.441 101 HA ILE 12 HA ILE 12 -7.816 -1.096 -1.887 102 HB ILE 12 HB ILE 12 -9.146 1.580 -2.366 103 HG12 ILE 12 HG12 ILE 12 -9.640 -1.141 -3.597 104 HG13 ILE 12 HG11 ILE 12 -10.704 -0.313 -2.464 105 HG21 ILE 12 HG21 ILE 12 -7.397 -0.063 -4.194 106 HG22 ILE 12 HG22 ILE 12 -6.973 1.481 -3.454 107 HG23 ILE 12 HG23 ILE 12 -8.268 1.402 -4.648 108 HD11 ILE 12 HD11 ILE 12 -11.499 -0.139 -4.764 109 HD12 ILE 12 HD12 ILE 12 -9.994 0.656 -5.225 110 HD13 ILE 12 HD13 ILE 12 -11.097 1.442 -4.096 111 H LEU 13 HN LEU 13 -8.096 1.797 0.071 112 HA LEU 13 HA LEU 13 -5.602 2.927 -0.308 113 HB2 LEU 13 HB2 LEU 13 -7.393 3.993 0.966 114 HB3 LEU 13 HB1 LEU 13 -7.231 2.783 2.224 115 HG LEU 13 HG LEU 13 -4.869 3.607 2.569 116 HD11 LEU 13 HD11 LEU 13 -4.345 5.853 1.761 117 HD12 LEU 13 HD12 LEU 13 -5.847 5.875 0.837 118 HD13 LEU 13 HD13 LEU 13 -4.575 4.724 0.424 119 HD21 LEU 13 HD21 LEU 13 -7.172 5.484 3.047 120 HD22 LEU 13 HD22 LEU 13 -5.602 5.592 3.839 121 HD23 LEU 13 HD23 LEU 13 -6.629 4.183 4.104 122 H ILE 14 HN ILE 14 -6.583 0.235 1.734 123 HA ILE 14 HA ILE 14 -4.149 -0.145 3.105 124 HB ILE 14 HB ILE 14 -6.137 -2.279 2.288 125 HG12 ILE 14 HG12 ILE 14 -6.045 -0.612 4.814 126 HG13 ILE 14 HG11 ILE 14 -7.203 -0.398 3.504 127 HG21 ILE 14 HG21 ILE 14 -4.105 -2.193 4.511 128 HG22 ILE 14 HG22 ILE 14 -4.022 -3.184 3.058 129 HG23 ILE 14 HG23 ILE 14 -5.284 -3.477 4.253 130 HD11 ILE 14 HD11 ILE 14 -8.060 -2.657 3.918 131 HD12 ILE 14 HD12 ILE 14 -8.203 -1.615 5.332 132 HD13 ILE 14 HD13 ILE 14 -6.925 -2.826 5.257 133 H PHE 15 HN PHE 15 -5.385 -1.350 0.040 134 HA PHE 15 HA PHE 15 -3.180 -3.041 -0.557 135 HB2 PHE 15 HB2 PHE 15 -5.165 -1.769 -2.457 136 HB3 PHE 15 HB1 PHE 15 -4.135 -3.150 -2.799 137 HD1 PHE 15 HD2 PHE 15 -4.541 -4.460 -0.027 138 HD2 PHE 15 HD1 PHE 15 -7.227 -2.860 -2.913 139 HE1 PHE 15 HE2 PHE 15 -6.312 -5.945 0.802 140 HE2 PHE 15 HE1 PHE 15 -9.005 -4.345 -2.087 141 HZ PHE 15 HZ PHE 15 -8.548 -5.893 -0.229 142 H LEU 16 HN LEU 16 -4.026 0.277 -1.391 143 HA LEU 16 HA LEU 16 -1.799 0.889 -2.979 144 HB2 LEU 16 HB2 LEU 16 -3.133 2.751 -1.010 145 HB3 LEU 16 HB1 LEU 16 -2.202 3.209 -2.422 146 HG LEU 16 HG LEU 16 -4.882 1.830 -2.441 147 HD11 LEU 16 HD11 LEU 16 -4.992 4.179 -1.767 148 HD12 LEU 16 HD12 LEU 16 -5.708 3.930 -3.359 149 HD13 LEU 16 HD13 LEU 16 -4.100 4.636 -3.217 150 HD21 LEU 16 HD21 LEU 16 -3.531 1.117 -4.325 151 HD22 LEU 16 HD22 LEU 16 -3.159 2.794 -4.721 152 HD23 LEU 16 HD23 LEU 16 -4.813 2.198 -4.868 153 H LEU 17 HN LEU 17 -2.299 1.031 0.504 154 HA LEU 17 HA LEU 17 0.150 2.157 1.252 155 HB2 LEU 17 HB2 LEU 17 -2.012 1.676 2.605 156 HB3 LEU 17 HB1 LEU 17 -1.289 0.113 2.917 157 HG LEU 17 HG LEU 17 0.053 2.720 3.630 158 HD11 LEU 17 HD11 LEU 17 -1.654 0.925 5.346 159 HD12 LEU 17 HD12 LEU 17 -2.055 2.560 4.820 160 HD13 LEU 17 HD13 LEU 17 -0.703 2.294 5.921 161 HD21 LEU 17 HD21 LEU 17 1.393 1.326 5.114 162 HD22 LEU 17 HD22 LEU 17 1.547 0.791 3.441 163 HD23 LEU 17 HD23 LEU 17 0.529 -0.109 4.564 164 H GLU 18 HN GLU 18 -0.794 -1.284 1.069 165 HA GLU 18 HA GLU 18 1.699 -2.320 1.862 166 HB2 GLU 18 HB2 GLU 18 0.914 -4.447 1.114 167 HB3 GLU 18 HB1 GLU 18 -0.462 -3.588 1.777 168 HG2 GLU 18 HG2 GLU 18 -1.261 -3.072 -0.428 169 HG3 GLU 18 HG1 GLU 18 0.171 -3.800 -1.149 170 H PHE 19 HN PHE 19 0.506 -1.200 -1.190 171 HA PHE 19 HA PHE 19 2.690 -2.185 -2.755 172 HB2 PHE 19 HB2 PHE 19 0.534 -1.617 -3.783 173 HB3 PHE 19 HB1 PHE 19 0.743 0.065 -3.312 174 HD1 PHE 19 HD1 PHE 19 2.033 -2.616 -5.486 175 HD2 PHE 19 HD2 PHE 19 2.071 1.544 -4.593 176 HE1 PHE 19 HE1 PHE 19 3.216 -2.177 -7.596 177 HE2 PHE 19 HE2 PHE 19 3.253 1.991 -6.701 178 HZ PHE 19 HZ PHE 19 3.827 0.127 -8.204 179 H LEU 20 HN LEU 20 1.870 0.940 -1.295 180 HA LEU 20 HA LEU 20 3.992 2.426 -2.302 181 HB2 LEU 20 HB2 LEU 20 2.471 2.729 0.278 182 HB3 LEU 20 HB1 LEU 20 3.594 3.925 -0.339 183 HG LEU 20 HG LEU 20 1.097 3.021 -1.776 184 HD11 LEU 20 HD11 LEU 20 0.550 4.220 0.267 185 HD12 LEU 20 HD12 LEU 20 0.188 5.201 -1.153 186 HD13 LEU 20 HD13 LEU 20 1.632 5.532 -0.198 187 HD21 LEU 20 HD21 LEU 20 1.524 4.990 -3.192 188 HD22 LEU 20 HD22 LEU 20 2.816 3.793 -3.302 189 HD23 LEU 20 HD23 LEU 20 3.047 5.254 -2.341 190 H LEU 21 HN LEU 21 3.846 0.557 0.739 191 HA LEU 21 HA LEU 21 6.392 1.390 1.625 192 HB2 LEU 21 HB2 LEU 21 6.301 -0.616 3.121 193 HB3 LEU 21 HB1 LEU 21 4.956 0.493 3.263 194 HG LEU 21 HG LEU 21 3.772 -1.169 1.628 195 HD11 LEU 21 HD11 LEU 21 4.439 -3.475 1.892 196 HD12 LEU 21 HD12 LEU 21 5.797 -2.998 2.907 197 HD13 LEU 21 HD13 LEU 21 5.769 -2.548 1.204 198 HD21 LEU 21 HD21 LEU 21 4.268 -1.795 4.532 199 HD22 LEU 21 HD22 LEU 21 2.937 -2.422 3.563 200 HD23 LEU 21 HD23 LEU 21 3.049 -0.695 3.893 201 H ASP 22 HN ASP 22 5.350 -1.267 -0.400 202 HA ASP 22 HA ASP 22 7.890 -2.557 -0.532 203 HB2 ASP 22 HB2 ASP 22 5.872 -3.817 -0.993 204 HB3 ASP 22 HB1 ASP 22 5.450 -2.732 -2.312 205 H PHE 23 HN PHE 23 6.150 -0.257 -2.529 206 HA PHE 23 HA PHE 23 8.032 -0.032 -4.617 207 HB2 PHE 23 HB2 PHE 23 5.699 0.746 -4.781 208 HB3 PHE 23 HB1 PHE 23 6.025 1.986 -3.580 209 HD1 PHE 23 HD2 PHE 23 7.203 0.815 -6.910 210 HD2 PHE 23 HD1 PHE 23 6.591 4.098 -4.278 211 HE1 PHE 23 HE2 PHE 23 7.846 2.365 -8.707 212 HE2 PHE 23 HE1 PHE 23 7.230 5.658 -6.068 213 HZ PHE 23 HZ PHE 23 7.858 4.793 -8.287 214 H CYS 24 HN CYS 24 7.634 1.636 -1.543 215 HA CYS 24 HA CYS 24 9.645 3.569 -1.871 216 HB2 CYS 24 HB2 CYS 24 7.874 3.546 -0.082 217 HB3 CYS 24 HB1 CYS 24 8.783 2.274 0.724 218 HG CYS 24 HG CYS 24 10.625 4.976 0.049 219 H THR 25 HN THR 25 9.804 0.566 0.070 220 HA THR 25 HA THR 25 12.024 -0.543 -1.091 221 HB THR 25 HB THR 25 13.316 1.441 -0.452 222 HG1 THR 25 HG1 THR 25 14.185 -0.816 -0.348 223 HG21 THR 25 HG21 THR 25 12.648 0.684 2.393 224 HG22 THR 25 HG22 THR 25 12.089 2.123 1.544 225 HG23 THR 25 HG23 THR 25 13.802 1.922 1.904 226 H GLY 26 HN GLY 26 10.377 0.094 1.960 227 HA2 GLY 26 HA2 GLY 26 10.415 -2.754 2.528 228 HA3 GLY 26 HA1 GLY 26 11.249 -1.736 3.690 229 H GLU 27 HN GLU 27 9.165 -3.298 4.477 230 HA GLU 27 HA GLU 27 6.603 -2.221 4.409 231 HB2 GLU 27 HB2 GLU 27 7.939 -3.731 6.660 232 HB3 GLU 27 HB1 GLU 27 6.206 -3.485 6.488 233 HG2 GLU 27 HG2 GLU 27 6.214 -4.762 4.419 234 HG3 GLU 27 HG1 GLU 27 7.958 -4.986 4.557 235 H ASP 28 HN ASP 28 9.095 -1.769 6.893 236 HA ASP 28 HA ASP 28 7.636 0.423 8.088 237 HB2 ASP 28 HB2 ASP 28 10.391 -0.715 8.620 238 HB3 ASP 28 HB1 ASP 28 9.709 0.640 9.510 239 H SER 29 HN SER 29 10.453 -0.107 6.095 240 HA SER 29 HA SER 29 11.734 1.210 4.787 241 HB2 SER 29 HB2 SER 29 9.428 1.950 3.959 242 HB3 SER 29 HB1 SER 29 9.627 3.357 5.005 243 HG SER 29 HG SER 29 10.335 3.765 2.861 244 H VAL 30 HN VAL 30 12.341 3.808 4.705 245 HA VAL 30 HA VAL 30 14.075 4.987 5.642 246 HB VAL 30 HB VAL 30 12.153 6.420 5.829 247 HG11 VAL 30 HG11 VAL 30 10.671 5.028 7.151 248 HG12 VAL 30 HG12 VAL 30 10.838 6.627 7.877 249 HG13 VAL 30 HG13 VAL 30 11.699 5.252 8.566 250 HG21 VAL 30 HG21 VAL 30 12.909 7.897 7.638 251 HG22 VAL 30 HG22 VAL 30 14.248 7.278 6.670 252 HG23 VAL 30 HG23 VAL 30 13.918 6.593 8.262 253 H ASP 31 HN ASP 31 15.245 3.085 6.333 254 HA ASP 31 HA ASP 31 15.226 2.258 9.049 255 HB2 ASP 31 HB2 ASP 31 17.344 2.018 6.901 256 HB3 ASP 31 HB1 ASP 31 17.510 1.314 8.505 257 H GLY 32 HN GLY 32 16.701 2.782 10.716 258 HA2 GLY 32 HA2 GLY 32 18.278 4.178 11.780 259 HA3 GLY 32 HA1 GLY 32 18.269 5.223 10.365 260 H LYS 33 HN LYS 33 15.720 4.006 12.519 261 HA LYS 33 HA LYS 33 14.955 6.792 13.069 262 HB2 LYS 33 HB2 LYS 33 12.563 6.100 12.862 263 HB3 LYS 33 HB1 LYS 33 13.450 6.056 11.344 264 HG2 LYS 33 HG2 LYS 33 13.694 3.649 11.530 265 HG3 LYS 33 HG1 LYS 33 12.858 3.671 13.084 266 HD2 LYS 33 HD2 LYS 33 10.827 4.412 12.041 267 HD3 LYS 33 HD1 LYS 33 11.647 4.614 10.491 268 HE2 LYS 33 HE2 LYS 33 11.287 2.003 11.955 269 HE3 LYS 33 HE1 LYS 33 10.325 2.542 10.582 270 HZ1 LYS 33 HZ1 LYS 33 12.308 2.540 9.217 271 HZ2 LYS 33 HZ2 LYS 33 12.092 1.018 9.922 272 HZ3 LYS 33 HZ3 LYS 33 13.256 2.073 10.539 273 H LYS 34 HN LYS 34 16.101 4.148 14.419 274 HA LYS 34 HA LYS 34 14.244 3.865 16.615 275 HB2 LYS 34 HB2 LYS 34 16.934 2.598 16.087 276 HB3 LYS 34 HB1 LYS 34 15.932 2.241 17.487 277 HG2 LYS 34 HG2 LYS 34 14.190 1.362 16.075 278 HG3 LYS 34 HG1 LYS 34 15.080 1.833 14.628 279 HD2 LYS 34 HD2 LYS 34 15.370 -0.530 15.009 280 HD3 LYS 34 HD1 LYS 34 16.901 0.295 15.299 281 HE2 LYS 34 HE2 LYS 34 16.526 0.205 17.694 282 HE3 LYS 34 HE1 LYS 34 14.944 -0.530 17.442 283 HZ1 LYS 34 HZ1 LYS 34 17.549 -1.737 16.690 284 HZ2 LYS 34 HZ2 LYS 34 16.033 -2.441 16.443 285 HZ3 LYS 34 HZ3 LYS 34 16.599 -2.185 18.014 286 H ARG 35 HN ARG 35 16.920 5.802 15.837 287 HA ARG 35 HA ARG 35 16.917 6.834 18.579 288 HB2 ARG 35 HB2 ARG 35 19.386 6.418 16.879 289 HB3 ARG 35 HB1 ARG 35 19.353 7.249 18.427 290 HG2 ARG 35 HG2 ARG 35 18.571 5.163 19.491 291 HG3 ARG 35 HG1 ARG 35 18.731 4.347 17.935 292 HD2 ARG 35 HD2 ARG 35 21.129 4.911 17.915 293 HD3 ARG 35 HD1 ARG 35 20.947 5.671 19.496 294 HE ARG 35 HE ARG 35 20.153 2.880 19.266 295 HH11 ARG 35 HH11 ARG 35 22.580 5.190 20.278 296 HH12 ARG 35 HH12 ARG 35 23.389 4.070 21.322 297 HH21 ARG 35 HH21 ARG 35 21.219 1.401 20.634 298 HH22 ARG 35 HH22 ARG 35 22.611 1.914 21.532 299 H GLN 36 HN GLN 36 15.305 8.178 17.240 300 HA GLN 36 HA GLN 36 16.792 10.443 16.099 301 HB2 GLN 36 HB2 GLN 36 14.726 10.881 14.691 302 HB3 GLN 36 HB1 GLN 36 15.703 9.496 14.232 303 HG2 GLN 36 HG2 GLN 36 14.133 7.985 15.226 304 HG3 GLN 36 HG1 GLN 36 13.204 9.322 15.897 305 HE21 GLN 36 HE21 GLN 36 11.322 8.712 14.846 306 HE22 GLN 36 HE22 GLN 36 11.110 8.902 13.143 Start of MODEL 6 1 H1 THR 1 HT1 THR 1 -27.387 0.631 -7.486 2 H2 THR 1 HT2 THR 1 -27.922 1.473 -6.119 3 H3 THR 1 HT3 THR 1 -26.848 0.181 -5.949 4 HA THR 1 HA THR 1 -26.247 2.708 -7.353 5 HB THR 1 HB THR 1 -25.290 1.763 -4.641 6 HG1 THR 1 HG1 THR 1 -26.685 4.069 -4.609 7 HG21 THR 1 HG21 THR 1 -24.918 4.405 -6.055 8 HG22 THR 1 HG22 THR 1 -23.676 3.170 -5.853 9 HG23 THR 1 HG23 THR 1 -24.334 3.997 -4.440 10 H TRP 2 HN TRP 2 -24.341 2.722 -8.439 11 HA TRP 2 HA TRP 2 -22.778 0.235 -8.393 12 HB2 TRP 2 HB2 TRP 2 -23.110 2.258 -10.613 13 HB3 TRP 2 HB1 TRP 2 -22.040 0.863 -10.683 14 HD1 TRP 2 HD1 TRP 2 -23.116 -1.469 -11.240 15 HE1 TRP 2 HE1 TRP 2 -25.471 -2.199 -11.983 16 HE3 TRP 2 HE3 TRP 2 -25.634 2.854 -10.263 17 HZ2 TRP 2 HZ2 TRP 2 -28.060 -1.076 -12.129 18 HZ3 TRP 2 HZ3 TRP 2 -28.051 2.954 -10.729 19 HH2 TRP 2 HH2 TRP 2 -29.235 1.024 -11.644 20 H SER 3 HN SER 3 -20.444 0.701 -9.211 21 HA SER 3 HA SER 3 -18.402 1.418 -8.577 22 HB2 SER 3 HB2 SER 3 -17.991 3.864 -8.905 23 HB3 SER 3 HB1 SER 3 -18.819 3.092 -10.253 24 HG SER 3 HG SER 3 -20.516 4.114 -8.348 25 H GLY 4 HN GLY 4 -18.504 0.611 -6.445 26 HA2 GLY 4 HA2 GLY 4 -19.303 2.320 -4.272 27 HA3 GLY 4 HA1 GLY 4 -18.476 0.775 -4.134 28 H THR 5 HN THR 5 -17.781 3.979 -5.482 29 HA THR 5 HA THR 5 -15.007 3.814 -5.308 30 HB THR 5 HB THR 5 -15.199 6.391 -5.349 31 HG1 THR 5 HG1 THR 5 -17.429 6.940 -6.098 32 HG21 THR 5 HG21 THR 5 -15.871 6.363 -7.706 33 HG22 THR 5 HG22 THR 5 -16.526 4.739 -7.504 34 HG23 THR 5 HG23 THR 5 -14.792 5.017 -7.342 35 H LYS 6 HN LYS 6 -17.309 5.389 -3.104 36 HA LYS 6 HA LYS 6 -15.172 5.920 -1.205 37 HB2 LYS 6 HB2 LYS 6 -18.124 6.540 -1.073 38 HB3 LYS 6 HB1 LYS 6 -16.927 7.066 0.101 39 HG2 LYS 6 HG2 LYS 6 -15.775 8.309 -1.703 40 HG3 LYS 6 HG1 LYS 6 -17.081 7.855 -2.798 41 HD2 LYS 6 HD2 LYS 6 -17.437 9.402 -0.234 42 HD3 LYS 6 HD1 LYS 6 -17.345 10.121 -1.840 43 HE2 LYS 6 HE2 LYS 6 -19.336 8.896 -2.520 44 HE3 LYS 6 HE1 LYS 6 -19.417 8.122 -0.939 45 HZ1 LYS 6 HZ1 LYS 6 -19.673 11.035 -1.452 46 HZ2 LYS 6 HZ2 LYS 6 -19.749 10.292 0.065 47 HZ3 LYS 6 HZ3 LYS 6 -20.945 9.979 -1.088 48 H LYS 7 HN LYS 7 -16.540 3.188 -1.904 49 HA LYS 7 HA LYS 7 -16.910 2.396 0.906 50 HB2 LYS 7 HB2 LYS 7 -18.011 1.153 -1.617 51 HB3 LYS 7 HB1 LYS 7 -18.112 0.392 -0.037 52 HG2 LYS 7 HG2 LYS 7 -19.153 3.157 -0.313 53 HG3 LYS 7 HG1 LYS 7 -20.083 1.845 -1.031 54 HD2 LYS 7 HD2 LYS 7 -20.929 2.210 1.171 55 HD3 LYS 7 HD1 LYS 7 -20.030 0.697 1.192 56 HE2 LYS 7 HE2 LYS 7 -19.573 2.016 3.186 57 HE3 LYS 7 HE1 LYS 7 -18.122 1.837 2.207 58 HZ1 LYS 7 HZ1 LYS 7 -19.881 4.230 2.218 59 HZ2 LYS 7 HZ2 LYS 7 -18.425 4.065 1.372 60 HZ3 LYS 7 HZ3 LYS 7 -18.422 4.099 3.059 61 H ARG 8 HN ARG 8 -15.678 1.167 -2.203 62 HA ARG 8 HA ARG 8 -14.217 -0.945 -0.972 63 HB2 ARG 8 HB2 ARG 8 -14.033 0.254 -3.736 64 HB3 ARG 8 HB1 ARG 8 -13.172 -1.191 -3.227 65 HG2 ARG 8 HG2 ARG 8 -16.155 -0.833 -3.397 66 HG3 ARG 8 HG1 ARG 8 -15.138 -1.824 -4.447 67 HD2 ARG 8 HD2 ARG 8 -14.498 -3.171 -2.462 68 HD3 ARG 8 HD1 ARG 8 -15.642 -2.233 -1.504 69 HE ARG 8 HE ARG 8 -16.989 -3.297 -3.719 70 HH11 ARG 8 HH11 ARG 8 -15.483 -4.344 -0.742 71 HH12 ARG 8 HH12 ARG 8 -16.480 -5.754 -0.588 72 HH21 ARG 8 HH21 ARG 8 -18.306 -5.145 -3.520 73 HH22 ARG 8 HH22 ARG 8 -18.092 -6.211 -2.170 74 H ALA 9 HN ALA 9 -13.601 2.368 -1.516 75 HA ALA 9 HA ALA 9 -10.818 2.432 -1.717 76 HB1 ALA 9 HB1 ALA 9 -10.972 4.734 -0.938 77 HB2 ALA 9 HB2 ALA 9 -12.624 4.449 -0.388 78 HB3 ALA 9 HB3 ALA 9 -12.241 4.380 -2.109 79 H GLN 10 HN GLN 10 -12.874 1.863 1.029 80 HA GLN 10 HA GLN 10 -11.038 2.501 3.079 81 HB2 GLN 10 HB2 GLN 10 -12.538 1.440 4.567 82 HB3 GLN 10 HB1 GLN 10 -13.550 2.116 3.300 83 HG2 GLN 10 HG2 GLN 10 -13.634 -0.111 2.236 84 HG3 GLN 10 HG1 GLN 10 -12.723 -0.761 3.599 85 HE21 GLN 10 HE21 GLN 10 -15.749 0.465 2.499 86 HE22 GLN 10 HE22 GLN 10 -16.682 0.018 3.888 87 H ARG 11 HN ARG 11 -11.466 -0.259 1.036 88 HA ARG 11 HA ARG 11 -9.627 -1.874 2.611 89 HB2 ARG 11 HB2 ARG 11 -11.309 -3.282 1.975 90 HB3 ARG 11 HB1 ARG 11 -11.649 -2.385 0.502 91 HG2 ARG 11 HG2 ARG 11 -9.839 -3.384 -0.631 92 HG3 ARG 11 HG1 ARG 11 -9.204 -4.088 0.855 93 HD2 ARG 11 HD2 ARG 11 -11.852 -4.781 -0.407 94 HD3 ARG 11 HD1 ARG 11 -10.376 -5.732 -0.568 95 HE ARG 11 HE ARG 11 -10.742 -5.493 2.126 96 HH11 ARG 11 HH11 ARG 11 -12.682 -6.678 -0.533 97 HH12 ARG 11 HH12 ARG 11 -13.534 -7.836 0.437 98 HH21 ARG 11 HH21 ARG 11 -11.845 -7.021 3.406 99 HH22 ARG 11 HH22 ARG 11 -13.060 -8.027 2.684 100 H ILE 12 HN ILE 12 -9.964 -0.451 -0.614 101 HA ILE 12 HA ILE 12 -7.591 -1.481 -1.701 102 HB ILE 12 HB ILE 12 -9.017 1.100 -2.392 103 HG12 ILE 12 HG12 ILE 12 -9.203 -1.647 -3.644 104 HG13 ILE 12 HG11 ILE 12 -10.403 -0.951 -2.561 105 HG21 ILE 12 HG21 ILE 12 -7.902 0.913 -4.570 106 HG22 ILE 12 HG22 ILE 12 -6.998 -0.481 -3.980 107 HG23 ILE 12 HG23 ILE 12 -6.743 1.106 -3.256 108 HD11 ILE 12 HD11 ILE 12 -9.631 0.126 -5.262 109 HD12 ILE 12 HD12 ILE 12 -10.841 0.813 -4.179 110 HD13 ILE 12 HD13 ILE 12 -11.092 -0.784 -4.879 111 H LEU 13 HN LEU 13 -8.199 1.200 0.421 112 HA LEU 13 HA LEU 13 -5.865 2.657 0.250 113 HB2 LEU 13 HB2 LEU 13 -7.719 3.347 1.646 114 HB3 LEU 13 HB1 LEU 13 -7.527 1.935 2.664 115 HG LEU 13 HG LEU 13 -5.320 2.816 3.403 116 HD11 LEU 13 HD11 LEU 13 -6.157 5.250 1.837 117 HD12 LEU 13 HD12 LEU 13 -4.780 4.202 1.497 118 HD13 LEU 13 HD13 LEU 13 -4.805 5.174 2.967 119 HD21 LEU 13 HD21 LEU 13 -6.244 4.586 4.833 120 HD22 LEU 13 HD22 LEU 13 -7.301 3.176 4.756 121 HD23 LEU 13 HD23 LEU 13 -7.694 4.624 3.830 122 H ILE 14 HN ILE 14 -6.486 -0.375 1.947 123 HA ILE 14 HA ILE 14 -3.998 -0.572 3.258 124 HB ILE 14 HB ILE 14 -5.796 -2.817 2.330 125 HG12 ILE 14 HG12 ILE 14 -7.026 -1.158 3.656 126 HG13 ILE 14 HG11 ILE 14 -6.825 -2.653 4.549 127 HG21 ILE 14 HG21 ILE 14 -4.804 -4.060 4.202 128 HG22 ILE 14 HG22 ILE 14 -3.729 -2.699 4.525 129 HG23 ILE 14 HG23 ILE 14 -3.593 -3.588 3.009 130 HD11 ILE 14 HD11 ILE 14 -5.233 -0.134 4.928 131 HD12 ILE 14 HD12 ILE 14 -4.988 -1.639 5.812 132 HD13 ILE 14 HD13 ILE 14 -6.498 -0.747 5.991 133 H PHE 15 HN PHE 15 -5.168 -1.738 0.137 134 HA PHE 15 HA PHE 15 -2.822 -3.135 -0.589 135 HB2 PHE 15 HB2 PHE 15 -5.080 -2.003 -2.242 136 HB3 PHE 15 HB1 PHE 15 -3.774 -2.970 -2.921 137 HD1 PHE 15 HD1 PHE 15 -6.695 -3.004 -0.701 138 HD2 PHE 15 HD2 PHE 15 -3.678 -5.325 -2.590 139 HE1 PHE 15 HE1 PHE 15 -7.913 -5.051 -0.122 140 HE2 PHE 15 HE2 PHE 15 -4.893 -7.387 -2.017 141 HZ PHE 15 HZ PHE 15 -7.020 -7.252 -0.780 142 H LEU 16 HN LEU 16 -3.916 0.184 -1.153 143 HA LEU 16 HA LEU 16 -1.707 0.858 -2.816 144 HB2 LEU 16 HB2 LEU 16 -2.651 2.924 -3.005 145 HB3 LEU 16 HB1 LEU 16 -4.052 2.012 -2.494 146 HG LEU 16 HG LEU 16 -3.475 2.833 -0.116 147 HD11 LEU 16 HD11 LEU 16 -1.221 3.676 -0.828 148 HD12 LEU 16 HD12 LEU 16 -2.212 4.837 0.056 149 HD13 LEU 16 HD13 LEU 16 -2.055 4.966 -1.696 150 HD21 LEU 16 HD21 LEU 16 -4.419 4.776 -2.226 151 HD22 LEU 16 HD22 LEU 16 -4.746 4.876 -0.496 152 HD23 LEU 16 HD23 LEU 16 -5.415 3.550 -1.445 153 H LEU 17 HN LEU 17 -2.349 1.016 0.627 154 HA LEU 17 HA LEU 17 -0.065 2.410 1.445 155 HB2 LEU 17 HB2 LEU 17 -1.870 1.965 2.977 156 HB3 LEU 17 HB1 LEU 17 -1.675 0.235 2.781 157 HG LEU 17 HG LEU 17 0.547 0.404 3.884 158 HD11 LEU 17 HD11 LEU 17 1.084 2.443 5.121 159 HD12 LEU 17 HD12 LEU 17 -0.306 3.249 4.391 160 HD13 LEU 17 HD13 LEU 17 1.040 2.723 3.380 161 HD21 LEU 17 HD21 LEU 17 -1.435 -0.245 5.133 162 HD22 LEU 17 HD22 LEU 17 -1.803 1.450 5.457 163 HD23 LEU 17 HD23 LEU 17 -0.350 0.716 6.139 164 H GLU 18 HN GLU 18 -0.618 -1.087 1.189 165 HA GLU 18 HA GLU 18 1.982 -1.926 1.754 166 HB2 GLU 18 HB2 GLU 18 -0.126 -3.191 0.000 167 HB3 GLU 18 HB1 GLU 18 1.373 -3.987 0.455 168 HG2 GLU 18 HG2 GLU 18 0.726 -3.766 2.825 169 HG3 GLU 18 HG1 GLU 18 -0.814 -3.079 2.309 170 H PHE 19 HN PHE 19 0.487 -1.047 -1.335 171 HA PHE 19 HA PHE 19 2.594 -1.770 -3.012 172 HB2 PHE 19 HB2 PHE 19 0.373 -1.164 -3.854 173 HB3 PHE 19 HB1 PHE 19 0.631 0.504 -3.355 174 HD1 PHE 19 HD2 PHE 19 2.177 -2.133 -5.486 175 HD2 PHE 19 HD1 PHE 19 1.443 2.017 -4.892 176 HE1 PHE 19 HE2 PHE 19 3.219 -1.642 -7.659 177 HE2 PHE 19 HE1 PHE 19 2.488 2.516 -7.061 178 HZ PHE 19 HZ PHE 19 3.378 0.684 -8.448 179 H LEU 20 HN LEU 20 1.934 1.365 -1.448 180 HA LEU 20 HA LEU 20 4.089 2.749 -2.566 181 HB2 LEU 20 HB2 LEU 20 2.322 3.112 -0.221 182 HB3 LEU 20 HB1 LEU 20 3.813 4.031 -0.234 183 HG LEU 20 HG LEU 20 3.189 5.212 -2.201 184 HD11 LEU 20 HD11 LEU 20 2.251 3.382 -3.496 185 HD12 LEU 20 HD12 LEU 20 1.130 4.741 -3.445 186 HD13 LEU 20 HD13 LEU 20 0.848 3.327 -2.432 187 HD21 LEU 20 HD21 LEU 20 2.143 5.999 -0.160 188 HD22 LEU 20 HD22 LEU 20 0.789 4.897 -0.414 189 HD23 LEU 20 HD23 LEU 20 1.063 6.233 -1.537 190 H LEU 21 HN LEU 21 3.934 0.955 0.520 191 HA LEU 21 HA LEU 21 6.635 1.657 1.154 192 HB2 LEU 21 HB2 LEU 21 6.382 0.032 3.031 193 HB3 LEU 21 HB1 LEU 21 5.215 1.336 3.007 194 HG LEU 21 HG LEU 21 3.714 -0.436 1.781 195 HD11 LEU 21 HD11 LEU 21 5.417 -2.160 1.592 196 HD12 LEU 21 HD12 LEU 21 4.088 -2.703 2.617 197 HD13 LEU 21 HD13 LEU 21 5.608 -2.180 3.345 198 HD21 LEU 21 HD21 LEU 21 2.806 -1.096 3.954 199 HD22 LEU 21 HD22 LEU 21 3.189 0.626 3.902 200 HD23 LEU 21 HD23 LEU 21 4.264 -0.494 4.743 201 H ASP 22 HN ASP 22 5.102 -0.999 -0.489 202 HA ASP 22 HA ASP 22 7.389 -2.716 -0.457 203 HB2 ASP 22 HB2 ASP 22 5.179 -3.654 -0.845 204 HB3 ASP 22 HB1 ASP 22 4.977 -2.663 -2.285 205 H PHE 23 HN PHE 23 6.109 -0.294 -2.665 206 HA PHE 23 HA PHE 23 8.053 -0.642 -4.703 207 HB2 PHE 23 HB2 PHE 23 5.919 0.493 -5.107 208 HB3 PHE 23 HB1 PHE 23 6.361 1.764 -3.976 209 HD1 PHE 23 HD1 PHE 23 7.166 0.267 -7.253 210 HD2 PHE 23 HD2 PHE 23 7.678 3.598 -4.653 211 HE1 PHE 23 HE1 PHE 23 8.151 1.558 -9.100 212 HE2 PHE 23 HE2 PHE 23 8.666 4.889 -6.497 213 HZ PHE 23 HZ PHE 23 8.903 3.869 -8.724 214 H CYS 24 HN CYS 24 7.900 1.251 -1.757 215 HA CYS 24 HA CYS 24 10.107 2.938 -2.341 216 HB2 CYS 24 HB2 CYS 24 8.254 3.423 -0.703 217 HB3 CYS 24 HB1 CYS 24 9.008 2.269 0.390 218 HG CYS 24 HG CYS 24 11.446 3.756 0.482 219 H THR 25 HN THR 25 10.109 -0.324 -1.766 220 HA THR 25 HA THR 25 12.455 -0.475 -0.116 221 HB THR 25 HB THR 25 12.514 -2.851 -0.671 222 HG1 THR 25 HG1 THR 25 10.189 -2.666 -2.240 223 HG21 THR 25 HG21 THR 25 10.291 -3.510 0.157 224 HG22 THR 25 HG22 THR 25 9.711 -1.868 -0.127 225 HG23 THR 25 HG23 THR 25 10.968 -2.164 1.074 226 H GLY 26 HN GLY 26 11.757 -0.124 -3.479 227 HA2 GLY 26 HA2 GLY 26 13.301 0.589 -5.106 228 HA3 GLY 26 HA1 GLY 26 14.612 0.042 -4.071 229 H GLU 27 HN GLU 27 11.742 -1.526 -5.492 230 HA GLU 27 HA GLU 27 13.241 -3.923 -5.971 231 HB2 GLU 27 HB2 GLU 27 10.939 -4.378 -7.306 232 HB3 GLU 27 HB1 GLU 27 11.129 -4.613 -5.577 233 HG2 GLU 27 HG2 GLU 27 9.095 -3.458 -5.906 234 HG3 GLU 27 HG1 GLU 27 10.239 -2.298 -5.246 235 H ASP 28 HN ASP 28 11.645 -1.553 -8.053 236 HA ASP 28 HA ASP 28 13.798 -1.817 -9.997 237 HB2 ASP 28 HB2 ASP 28 11.922 -3.397 -10.689 238 HB3 ASP 28 HB1 ASP 28 10.906 -1.973 -10.883 239 H SER 29 HN SER 29 13.379 0.113 -8.157 240 HA SER 29 HA SER 29 11.785 2.231 -9.356 241 HB2 SER 29 HB2 SER 29 13.244 2.133 -6.709 242 HB3 SER 29 HB1 SER 29 12.170 3.423 -7.247 243 HG SER 29 HG SER 29 11.118 0.842 -7.311 244 H VAL 30 HN VAL 30 12.579 4.262 -9.797 245 HA VAL 30 HA VAL 30 15.490 4.641 -9.739 246 HB VAL 30 HB VAL 30 13.704 5.646 -11.970 247 HG11 VAL 30 HG11 VAL 30 15.806 6.205 -13.083 248 HG12 VAL 30 HG12 VAL 30 16.707 5.618 -11.685 249 HG13 VAL 30 HG13 VAL 30 15.664 7.032 -11.530 250 HG21 VAL 30 HG21 VAL 30 13.877 3.219 -12.110 251 HG22 VAL 30 HG22 VAL 30 15.636 3.328 -12.013 252 HG23 VAL 30 HG23 VAL 30 14.786 3.989 -13.412 253 H ASP 31 HN ASP 31 14.850 5.618 -7.687 254 HA ASP 31 HA ASP 31 13.062 7.864 -7.716 255 HB2 ASP 31 HB2 ASP 31 13.468 8.026 -5.338 256 HB3 ASP 31 HB1 ASP 31 13.227 6.339 -5.764 257 H GLY 32 HN GLY 32 14.226 9.670 -6.015 258 HA2 GLY 32 HA2 GLY 32 16.117 11.193 -6.005 259 HA3 GLY 32 HA1 GLY 32 16.435 10.717 -7.670 260 H LYS 33 HN LYS 33 13.182 10.912 -7.174 261 HA LYS 33 HA LYS 33 13.044 13.655 -8.237 262 HB2 LYS 33 HB2 LYS 33 11.187 11.312 -8.736 263 HB3 LYS 33 HB1 LYS 33 10.995 12.926 -9.408 264 HG2 LYS 33 HG2 LYS 33 12.937 12.696 -10.748 265 HG3 LYS 33 HG1 LYS 33 13.426 11.228 -9.903 266 HD2 LYS 33 HD2 LYS 33 12.501 10.660 -12.062 267 HD3 LYS 33 HD1 LYS 33 11.429 10.085 -10.786 268 HE2 LYS 33 HE2 LYS 33 9.966 11.996 -11.129 269 HE3 LYS 33 HE1 LYS 33 11.055 12.629 -12.363 270 HZ1 LYS 33 HZ1 LYS 33 9.568 10.065 -12.508 271 HZ2 LYS 33 HZ2 LYS 33 10.624 10.648 -13.690 272 HZ3 LYS 33 HZ3 LYS 33 9.189 11.477 -13.355 273 H LYS 34 HN LYS 34 13.148 13.011 -5.496 274 HA LYS 34 HA LYS 34 10.458 12.918 -4.442 275 HB2 LYS 34 HB2 LYS 34 13.121 13.175 -3.032 276 HB3 LYS 34 HB1 LYS 34 11.575 12.860 -2.256 277 HG2 LYS 34 HG2 LYS 34 11.406 10.726 -3.394 278 HG3 LYS 34 HG1 LYS 34 12.912 11.045 -4.254 279 HD2 LYS 34 HD2 LYS 34 13.326 9.560 -2.387 280 HD3 LYS 34 HD1 LYS 34 14.099 11.118 -2.096 281 HE2 LYS 34 HE2 LYS 34 13.010 10.293 -0.081 282 HE3 LYS 34 HE1 LYS 34 12.243 11.773 -0.651 283 HZ1 LYS 34 HZ1 LYS 34 10.620 10.111 0.018 284 HZ2 LYS 34 HZ2 LYS 34 11.232 9.024 -1.123 285 HZ3 LYS 34 HZ3 LYS 34 10.486 10.452 -1.631 286 H ARG 35 HN ARG 35 13.209 15.156 -4.367 287 HA ARG 35 HA ARG 35 13.398 17.364 -3.898 288 HB2 ARG 35 HB2 ARG 35 11.939 17.475 -5.912 289 HB3 ARG 35 HB1 ARG 35 10.534 17.484 -4.861 290 HG2 ARG 35 HG2 ARG 35 11.104 19.617 -3.978 291 HG3 ARG 35 HG1 ARG 35 12.686 19.580 -4.758 292 HD2 ARG 35 HD2 ARG 35 10.034 19.618 -6.197 293 HD3 ARG 35 HD1 ARG 35 11.072 21.022 -5.947 294 HE ARG 35 HE ARG 35 12.769 19.439 -7.196 295 HH11 ARG 35 HH11 ARG 35 9.384 19.968 -7.901 296 HH12 ARG 35 HH12 ARG 35 9.561 19.691 -9.603 297 HH21 ARG 35 HH21 ARG 35 13.011 19.061 -9.432 298 HH22 ARG 35 HH22 ARG 35 11.628 19.162 -10.474 299 H GLN 36 HN GLN 36 13.427 16.439 -1.662 300 HA GLN 36 HA GLN 36 12.998 16.620 0.548 301 HB2 GLN 36 HB2 GLN 36 11.437 19.028 -0.386 302 HB3 GLN 36 HB1 GLN 36 11.698 18.635 1.307 303 HG2 GLN 36 HG2 GLN 36 14.069 18.881 1.060 304 HG3 GLN 36 HG1 GLN 36 13.905 19.099 -0.682 305 HE21 GLN 36 HE21 GLN 36 13.124 21.035 -1.480 306 HE22 GLN 36 HE22 GLN 36 13.025 22.464 -0.512 Start of MODEL 7 1 H1 THR 1 HT1 THR 1 -19.352 -0.386 -6.145 2 H2 THR 1 HT2 THR 1 -20.213 0.553 -5.037 3 H3 THR 1 HT3 THR 1 -21.044 -0.432 -6.129 4 HA THR 1 HA THR 1 -20.143 -2.400 -5.099 5 HB THR 1 HB THR 1 -18.993 -0.575 -2.986 6 HG1 THR 1 HG1 THR 1 -17.375 -0.266 -4.315 7 HG21 THR 1 HG21 THR 1 -18.578 -3.503 -3.606 8 HG22 THR 1 HG22 THR 1 -19.534 -2.853 -2.276 9 HG23 THR 1 HG23 THR 1 -17.788 -2.605 -2.311 10 H TRP 2 HN TRP 2 -22.219 -2.899 -4.711 11 HA TRP 2 HA TRP 2 -24.050 -1.355 -3.249 12 HB2 TRP 2 HB2 TRP 2 -24.633 -3.106 -4.917 13 HB3 TRP 2 HB1 TRP 2 -24.113 -4.328 -3.767 14 HD1 TRP 2 HD1 TRP 2 -27.022 -2.042 -4.588 15 HE1 TRP 2 HE1 TRP 2 -29.011 -2.633 -3.062 16 HE3 TRP 2 HE3 TRP 2 -24.648 -5.203 -1.375 17 HZ2 TRP 2 HZ2 TRP 2 -29.500 -4.236 -0.788 18 HZ3 TRP 2 HZ3 TRP 2 -25.938 -6.230 0.450 19 HH2 TRP 2 HH2 TRP 2 -28.318 -5.753 0.737 20 H SER 3 HN SER 3 -22.012 -4.053 -2.341 21 HA SER 3 HA SER 3 -23.019 -3.940 0.393 22 HB2 SER 3 HB2 SER 3 -22.717 -6.127 -0.862 23 HB3 SER 3 HB1 SER 3 -20.979 -5.869 -0.727 24 HG SER 3 HG SER 3 -22.815 -6.644 1.179 25 H GLY 4 HN GLY 4 -22.029 -1.778 0.651 26 HA2 GLY 4 HA2 GLY 4 -20.502 -0.817 2.173 27 HA3 GLY 4 HA1 GLY 4 -19.395 -2.141 1.863 28 H THR 5 HN THR 5 -20.516 0.976 0.811 29 HA THR 5 HA THR 5 -18.888 1.075 -1.545 30 HB THR 5 HB THR 5 -19.440 3.583 -1.376 31 HG1 THR 5 HG1 THR 5 -20.882 4.195 0.139 32 HG21 THR 5 HG21 THR 5 -21.719 3.234 -2.189 33 HG22 THR 5 HG22 THR 5 -21.700 1.589 -1.555 34 HG23 THR 5 HG23 THR 5 -20.617 2.039 -2.869 35 H LYS 6 HN LYS 6 -18.764 2.842 1.546 36 HA LYS 6 HA LYS 6 -16.262 4.045 0.947 37 HB2 LYS 6 HB2 LYS 6 -17.743 3.808 3.566 38 HB3 LYS 6 HB1 LYS 6 -16.323 4.812 3.305 39 HG2 LYS 6 HG2 LYS 6 -17.560 6.091 1.610 40 HG3 LYS 6 HG1 LYS 6 -18.990 5.110 1.940 41 HD2 LYS 6 HD2 LYS 6 -18.925 5.875 4.292 42 HD3 LYS 6 HD1 LYS 6 -17.559 6.916 3.888 43 HE2 LYS 6 HE2 LYS 6 -19.583 8.222 3.885 44 HE3 LYS 6 HE1 LYS 6 -18.979 8.080 2.236 45 HZ1 LYS 6 HZ1 LYS 6 -21.155 6.424 3.396 46 HZ2 LYS 6 HZ2 LYS 6 -20.614 6.382 1.796 47 HZ3 LYS 6 HZ3 LYS 6 -21.387 7.761 2.390 48 H LYS 7 HN LYS 7 -17.202 1.173 2.757 49 HA LYS 7 HA LYS 7 -14.675 0.765 3.967 50 HB2 LYS 7 HB2 LYS 7 -15.432 -1.431 4.556 51 HB3 LYS 7 HB1 LYS 7 -16.784 -0.331 4.734 52 HG2 LYS 7 HG2 LYS 7 -17.792 -2.125 3.736 53 HG3 LYS 7 HG1 LYS 7 -17.395 -1.140 2.329 54 HD2 LYS 7 HD2 LYS 7 -15.359 -2.475 1.985 55 HD3 LYS 7 HD1 LYS 7 -15.784 -3.468 3.379 56 HE2 LYS 7 HE2 LYS 7 -17.464 -3.162 0.896 57 HE3 LYS 7 HE1 LYS 7 -16.383 -4.514 1.225 58 HZ1 LYS 7 HZ1 LYS 7 -18.725 -4.963 1.773 59 HZ2 LYS 7 HZ2 LYS 7 -18.675 -3.750 2.946 60 HZ3 LYS 7 HZ3 LYS 7 -17.701 -5.119 3.108 61 H ARG 8 HN ARG 8 -15.986 0.009 0.834 62 HA ARG 8 HA ARG 8 -13.884 -1.759 0.045 63 HB2 ARG 8 HB2 ARG 8 -16.183 -1.668 -0.994 64 HB3 ARG 8 HB1 ARG 8 -15.730 -0.140 -1.729 65 HG2 ARG 8 HG2 ARG 8 -14.121 -2.621 -2.208 66 HG3 ARG 8 HG1 ARG 8 -15.580 -2.280 -3.135 67 HD2 ARG 8 HD2 ARG 8 -14.611 -0.128 -3.828 68 HD3 ARG 8 HD1 ARG 8 -13.142 -0.514 -2.934 69 HE ARG 8 HE ARG 8 -13.516 -2.622 -4.654 70 HH11 ARG 8 HH11 ARG 8 -13.113 0.837 -4.960 71 HH12 ARG 8 HH12 ARG 8 -12.364 0.741 -6.520 72 HH21 ARG 8 HH21 ARG 8 -12.535 -2.750 -6.727 73 HH22 ARG 8 HH22 ARG 8 -12.039 -1.292 -7.526 74 H ALA 9 HN ALA 9 -14.621 1.667 -0.451 75 HA ALA 9 HA ALA 9 -12.367 2.369 -1.939 76 HB1 ALA 9 HB1 ALA 9 -13.865 4.035 0.081 77 HB2 ALA 9 HB2 ALA 9 -14.288 3.845 -1.620 78 HB3 ALA 9 HB3 ALA 9 -12.784 4.648 -1.171 79 H GLN 10 HN GLN 10 -12.876 2.481 1.576 80 HA GLN 10 HA GLN 10 -10.312 3.425 2.221 81 HB2 GLN 10 HB2 GLN 10 -12.347 1.909 3.842 82 HB3 GLN 10 HB1 GLN 10 -10.847 2.521 4.523 83 HG2 GLN 10 HG2 GLN 10 -11.496 4.795 3.914 84 HG3 GLN 10 HG1 GLN 10 -13.000 4.182 3.230 85 HE21 GLN 10 HE21 GLN 10 -13.356 2.199 5.346 86 HE22 GLN 10 HE22 GLN 10 -13.859 3.079 6.746 87 H ARG 11 HN ARG 11 -11.498 0.140 1.694 88 HA ARG 11 HA ARG 11 -9.190 -1.075 2.863 89 HB2 ARG 11 HB2 ARG 11 -10.055 -3.145 2.226 90 HB3 ARG 11 HB1 ARG 11 -11.488 -2.167 2.496 91 HG2 ARG 11 HG2 ARG 11 -11.697 -1.819 0.083 92 HG3 ARG 11 HG1 ARG 11 -10.270 -2.826 -0.176 93 HD2 ARG 11 HD2 ARG 11 -12.878 -3.689 1.067 94 HD3 ARG 11 HD1 ARG 11 -12.293 -4.119 -0.536 95 HE ARG 11 HE ARG 11 -11.204 -5.080 2.020 96 HH11 ARG 11 HH11 ARG 11 -11.355 -5.273 -1.467 97 HH12 ARG 11 HH12 ARG 11 -10.575 -6.820 -1.547 98 HH21 ARG 11 HH21 ARG 11 -10.178 -7.125 1.923 99 HH22 ARG 11 HH22 ARG 11 -9.904 -7.872 0.382 100 H ILE 12 HN ILE 12 -10.014 0.117 -0.315 101 HA ILE 12 HA ILE 12 -7.913 -1.054 -1.781 102 HB ILE 12 HB ILE 12 -9.263 1.627 -2.160 103 HG12 ILE 12 HG12 ILE 12 -10.781 -0.280 -2.363 104 HG13 ILE 12 HG11 ILE 12 -10.518 0.471 -3.933 105 HG21 ILE 12 HG21 ILE 12 -7.469 0.128 -4.065 106 HG22 ILE 12 HG22 ILE 12 -7.086 1.638 -3.240 107 HG23 ILE 12 HG23 ILE 12 -8.376 1.592 -4.440 108 HD11 ILE 12 HD11 ILE 12 -10.525 -1.923 -4.156 109 HD12 ILE 12 HD12 ILE 12 -9.270 -2.077 -2.929 110 HD13 ILE 12 HD13 ILE 12 -8.900 -1.311 -4.472 111 H LEU 13 HN LEU 13 -8.092 1.800 0.253 112 HA LEU 13 HA LEU 13 -5.596 2.906 -0.251 113 HB2 LEU 13 HB2 LEU 13 -7.476 2.981 2.060 114 HB3 LEU 13 HB1 LEU 13 -5.857 3.605 2.287 115 HG LEU 13 HG LEU 13 -6.223 5.215 0.462 116 HD11 LEU 13 HD11 LEU 13 -8.480 5.553 -0.423 117 HD12 LEU 13 HD12 LEU 13 -9.020 4.100 0.418 118 HD13 LEU 13 HD13 LEU 13 -7.823 3.979 -0.871 119 HD21 LEU 13 HD21 LEU 13 -6.679 5.860 2.758 120 HD22 LEU 13 HD22 LEU 13 -8.329 5.253 2.616 121 HD23 LEU 13 HD23 LEU 13 -7.813 6.639 1.656 122 H ILE 14 HN ILE 14 -6.520 0.203 1.755 123 HA ILE 14 HA ILE 14 -4.112 -0.083 3.190 124 HB ILE 14 HB ILE 14 -6.085 -2.221 2.342 125 HG12 ILE 14 HG12 ILE 14 -5.851 -0.652 4.924 126 HG13 ILE 14 HG11 ILE 14 -7.072 -0.396 3.683 127 HG21 ILE 14 HG21 ILE 14 -5.152 -3.517 4.224 128 HG22 ILE 14 HG22 ILE 14 -3.926 -2.272 4.455 129 HG23 ILE 14 HG23 ILE 14 -3.959 -3.211 2.962 130 HD11 ILE 14 HD11 ILE 14 -6.721 -2.905 5.307 131 HD12 ILE 14 HD12 ILE 14 -7.962 -2.621 4.085 132 HD13 ILE 14 HD13 ILE 14 -7.945 -1.662 5.566 133 H PHE 15 HN PHE 15 -5.256 -1.552 0.175 134 HA PHE 15 HA PHE 15 -2.931 -3.084 -0.302 135 HB2 PHE 15 HB2 PHE 15 -5.074 -2.122 -2.204 136 HB3 PHE 15 HB1 PHE 15 -3.843 -3.312 -2.606 137 HD1 PHE 15 HD1 PHE 15 -3.865 -5.526 -1.532 138 HD2 PHE 15 HD2 PHE 15 -6.956 -2.684 -0.880 139 HE1 PHE 15 HE1 PHE 15 -5.309 -7.307 -0.637 140 HE2 PHE 15 HE2 PHE 15 -8.403 -4.449 0.018 141 HZ PHE 15 HZ PHE 15 -7.584 -6.770 0.139 142 H LEU 16 HN LEU 16 -3.939 0.132 -1.363 143 HA LEU 16 HA LEU 16 -1.731 0.522 -3.101 144 HB2 LEU 16 HB2 LEU 16 -2.561 2.623 -3.495 145 HB3 LEU 16 HB1 LEU 16 -3.999 1.784 -2.965 146 HG LEU 16 HG LEU 16 -3.455 2.793 -0.636 147 HD11 LEU 16 HD11 LEU 16 -1.205 3.574 -1.318 148 HD12 LEU 16 HD12 LEU 16 -2.233 4.859 -0.675 149 HD13 LEU 16 HD13 LEU 16 -1.975 4.720 -2.414 150 HD21 LEU 16 HD21 LEU 16 -4.345 4.596 -2.882 151 HD22 LEU 16 HD22 LEU 16 -4.765 4.738 -1.174 152 HD23 LEU 16 HD23 LEU 16 -5.362 3.374 -2.119 153 H LEU 17 HN LEU 17 -2.252 1.090 0.317 154 HA LEU 17 HA LEU 17 0.153 2.532 0.768 155 HB2 LEU 17 HB2 LEU 17 -1.966 2.206 2.272 156 HB3 LEU 17 HB1 LEU 17 -1.133 0.774 2.834 157 HG LEU 17 HG LEU 17 0.098 3.526 2.978 158 HD11 LEU 17 HD11 LEU 17 -0.585 3.562 5.327 159 HD12 LEU 17 HD12 LEU 17 -1.497 2.073 5.081 160 HD13 LEU 17 HD13 LEU 17 -1.977 3.549 4.243 161 HD21 LEU 17 HD21 LEU 17 0.694 0.956 4.439 162 HD22 LEU 17 HD22 LEU 17 1.514 2.499 4.680 163 HD23 LEU 17 HD23 LEU 17 1.658 1.654 3.138 164 H GLU 18 HN GLU 18 -0.747 -0.888 1.041 165 HA GLU 18 HA GLU 18 1.727 -1.910 1.825 166 HB2 GLU 18 HB2 GLU 18 -0.470 -3.131 0.156 167 HB3 GLU 18 HB1 GLU 18 0.928 -4.033 0.724 168 HG2 GLU 18 HG2 GLU 18 -1.077 -2.641 2.484 169 HG3 GLU 18 HG1 GLU 18 -1.042 -4.369 2.136 170 H PHE 19 HN PHE 19 0.446 -1.209 -1.393 171 HA PHE 19 HA PHE 19 2.585 -2.168 -2.919 172 HB2 PHE 19 HB2 PHE 19 0.487 -1.489 -3.952 173 HB3 PHE 19 HB1 PHE 19 0.751 0.180 -3.455 174 HD1 PHE 19 HD2 PHE 19 2.204 -2.529 -5.530 175 HD2 PHE 19 HD1 PHE 19 1.885 1.655 -4.847 176 HE1 PHE 19 HE2 PHE 19 3.419 -2.099 -7.623 177 HE2 PHE 19 HE1 PHE 19 3.101 2.096 -6.938 178 HZ PHE 19 HZ PHE 19 3.871 0.214 -8.327 179 H LEU 20 HN LEU 20 2.015 1.097 -1.609 180 HA LEU 20 HA LEU 20 4.334 2.308 -2.543 181 HB2 LEU 20 HB2 LEU 20 2.425 2.804 -0.341 182 HB3 LEU 20 HB1 LEU 20 3.976 3.607 -0.217 183 HG LEU 20 HG LEU 20 3.607 4.850 -2.207 184 HD11 LEU 20 HD11 LEU 20 2.668 3.099 -3.607 185 HD12 LEU 20 HD12 LEU 20 1.644 4.534 -3.640 186 HD13 LEU 20 HD13 LEU 20 1.171 3.134 -2.675 187 HD21 LEU 20 HD21 LEU 20 1.036 4.686 -0.652 188 HD22 LEU 20 HD22 LEU 20 1.514 6.014 -1.711 189 HD23 LEU 20 HD23 LEU 20 2.437 5.678 -0.246 190 H LEU 21 HN LEU 21 3.854 0.309 0.317 191 HA LEU 21 HA LEU 21 6.441 0.791 1.423 192 HB2 LEU 21 HB2 LEU 21 4.644 -1.598 1.850 193 HB3 LEU 21 HB1 LEU 21 5.959 -1.081 2.887 194 HG LEU 21 HG LEU 21 3.425 0.474 2.404 195 HD11 LEU 21 HD11 LEU 21 2.865 -0.168 4.708 196 HD12 LEU 21 HD12 LEU 21 4.292 -1.203 4.751 197 HD13 LEU 21 HD13 LEU 21 2.977 -1.563 3.635 198 HD21 LEU 21 HD21 LEU 21 5.697 0.918 4.343 199 HD22 LEU 21 HD22 LEU 21 4.195 1.841 4.290 200 HD23 LEU 21 HD23 LEU 21 5.320 1.911 2.935 201 H ASP 22 HN ASP 22 5.031 -1.946 -0.344 202 HA ASP 22 HA ASP 22 7.371 -3.500 -0.437 203 HB2 ASP 22 HB2 ASP 22 5.216 -4.510 -0.850 204 HB3 ASP 22 HB1 ASP 22 4.969 -3.494 -2.267 205 H PHE 23 HN PHE 23 6.046 -1.178 -2.751 206 HA PHE 23 HA PHE 23 7.923 -1.564 -4.801 207 HB2 PHE 23 HB2 PHE 23 5.804 -0.312 -5.059 208 HB3 PHE 23 HB1 PHE 23 6.454 0.972 -4.050 209 HD1 PHE 23 HD2 PHE 23 6.934 -0.808 -7.260 210 HD2 PHE 23 HD1 PHE 23 7.760 2.683 -4.972 211 HE1 PHE 23 HE2 PHE 23 7.874 0.277 -9.260 212 HE2 PHE 23 HE1 PHE 23 8.698 3.772 -6.967 213 HZ PHE 23 HZ PHE 23 8.758 2.569 -9.112 214 H CYS 24 HN CYS 24 8.073 0.152 -1.807 215 HA CYS 24 HA CYS 24 10.651 1.353 -2.549 216 HB2 CYS 24 HB2 CYS 24 8.756 2.106 -0.330 217 HB3 CYS 24 HB1 CYS 24 10.232 2.956 -0.756 218 HG CYS 24 HG CYS 24 7.189 3.144 -2.107 219 H THR 25 HN THR 25 10.595 -1.359 -1.813 220 HA THR 25 HA THR 25 11.523 -1.386 0.952 221 HB THR 25 HB THR 25 11.785 -3.899 0.533 222 HG1 THR 25 HG1 THR 25 10.077 -3.311 -1.681 223 HG21 THR 25 HG21 THR 25 9.370 -4.301 0.834 224 HG22 THR 25 HG22 THR 25 9.054 -2.623 0.389 225 HG23 THR 25 HG23 THR 25 9.966 -2.992 1.851 226 H GLY 26 HN GLY 26 12.870 -3.526 -1.460 227 HA2 GLY 26 HA2 GLY 26 15.500 -2.938 -0.449 228 HA3 GLY 26 HA1 GLY 26 15.093 -4.132 -1.669 229 H GLU 27 HN GLU 27 13.669 -2.003 -3.252 230 HA GLU 27 HA GLU 27 15.996 -1.180 -4.742 231 HB2 GLU 27 HB2 GLU 27 13.053 -0.704 -5.225 232 HB3 GLU 27 HB1 GLU 27 14.334 -0.231 -6.333 233 HG2 GLU 27 HG2 GLU 27 14.999 -2.594 -6.532 234 HG3 GLU 27 HG1 GLU 27 13.655 -3.038 -5.484 235 H ASP 28 HN ASP 28 13.975 0.177 -2.356 236 HA ASP 28 HA ASP 28 14.812 2.901 -2.974 237 HB2 ASP 28 HB2 ASP 28 12.506 2.658 -2.266 238 HB3 ASP 28 HB1 ASP 28 13.006 1.816 -0.802 239 H SER 29 HN SER 29 15.091 0.522 -0.360 240 HA SER 29 HA SER 29 16.858 2.068 1.220 241 HB2 SER 29 HB2 SER 29 16.488 -0.936 1.177 242 HB3 SER 29 HB1 SER 29 17.211 0.009 2.479 243 HG SER 29 HG SER 29 14.562 -0.386 1.837 244 H VAL 30 HN VAL 30 19.111 1.711 1.589 245 HA VAL 30 HA VAL 30 20.487 0.718 -0.807 246 HB VAL 30 HB VAL 30 20.746 3.120 -0.558 247 HG11 VAL 30 HG11 VAL 30 20.417 3.359 1.827 248 HG12 VAL 30 HG12 VAL 30 21.934 4.116 1.336 249 HG13 VAL 30 HG13 VAL 30 21.951 2.546 2.141 250 HG21 VAL 30 HG21 VAL 30 23.200 3.262 -0.565 251 HG22 VAL 30 HG22 VAL 30 22.593 1.914 -1.526 252 HG23 VAL 30 HG23 VAL 30 23.278 1.619 0.070 253 H ASP 31 HN ASP 31 20.154 -1.328 0.348 254 HA ASP 31 HA ASP 31 21.754 -1.872 2.680 255 HB2 ASP 31 HB2 ASP 31 20.243 -3.728 0.827 256 HB3 ASP 31 HB1 ASP 31 21.003 -4.211 2.339 257 H GLY 32 HN GLY 32 23.348 -3.673 2.665 258 HA2 GLY 32 HA2 GLY 32 25.331 -3.090 0.657 259 HA3 GLY 32 HA1 GLY 32 25.535 -4.125 2.061 260 H LYS 33 HN LYS 33 23.538 -4.127 -0.890 261 HA LYS 33 HA LYS 33 23.685 -6.973 -1.154 262 HB2 LYS 33 HB2 LYS 33 22.770 -4.834 -3.083 263 HB3 LYS 33 HB1 LYS 33 22.618 -6.559 -3.368 264 HG2 LYS 33 HG2 LYS 33 21.171 -6.764 -1.417 265 HG3 LYS 33 HG1 LYS 33 21.336 -5.035 -1.115 266 HD2 LYS 33 HD2 LYS 33 19.280 -5.257 -2.227 267 HD3 LYS 33 HD1 LYS 33 20.400 -4.702 -3.466 268 HE2 LYS 33 HE2 LYS 33 19.744 -7.608 -3.046 269 HE3 LYS 33 HE1 LYS 33 18.802 -6.570 -4.109 270 HZ1 LYS 33 HZ1 LYS 33 20.398 -7.724 -5.408 271 HZ2 LYS 33 HZ2 LYS 33 21.664 -7.290 -4.389 272 HZ3 LYS 33 HZ3 LYS 33 20.902 -6.113 -5.331 273 H LYS 34 HN LYS 34 25.450 -4.239 -2.426 274 HA LYS 34 HA LYS 34 26.935 -5.821 -4.322 275 HB2 LYS 34 HB2 LYS 34 27.370 -2.985 -3.371 276 HB3 LYS 34 HB1 LYS 34 28.208 -3.748 -4.712 277 HG2 LYS 34 HG2 LYS 34 26.139 -3.945 -5.944 278 HG3 LYS 34 HG1 LYS 34 25.235 -3.285 -4.580 279 HD2 LYS 34 HD2 LYS 34 25.572 -1.555 -6.225 280 HD3 LYS 34 HD1 LYS 34 26.531 -1.186 -4.792 281 HE2 LYS 34 HE2 LYS 34 28.521 -2.073 -5.895 282 HE3 LYS 34 HE1 LYS 34 27.563 -2.469 -7.318 283 HZ1 LYS 34 HZ1 LYS 34 28.727 -0.402 -7.645 284 HZ2 LYS 34 HZ2 LYS 34 28.051 0.251 -6.240 285 HZ3 LYS 34 HZ3 LYS 34 27.065 -0.101 -7.564 286 H ARG 35 HN ARG 35 26.970 -5.616 -1.084 287 HA ARG 35 HA ARG 35 29.835 -5.705 -0.666 288 HB2 ARG 35 HB2 ARG 35 28.255 -4.698 0.994 289 HB3 ARG 35 HB1 ARG 35 27.570 -6.295 1.255 290 HG2 ARG 35 HG2 ARG 35 29.720 -7.089 2.090 291 HG3 ARG 35 HG1 ARG 35 30.416 -5.489 1.817 292 HD2 ARG 35 HD2 ARG 35 28.167 -6.179 3.702 293 HD3 ARG 35 HD1 ARG 35 29.815 -5.742 4.149 294 HE ARG 35 HE ARG 35 28.969 -3.613 2.693 295 HH11 ARG 35 HH11 ARG 35 27.718 -5.302 5.492 296 HH12 ARG 35 HH12 ARG 35 26.901 -3.914 6.132 297 HH21 ARG 35 HH21 ARG 35 27.897 -1.775 3.529 298 HH22 ARG 35 HH22 ARG 35 27.021 -1.898 5.020 299 H GLN 36 HN GLN 36 30.976 -7.586 -0.069 300 HA GLN 36 HA GLN 36 29.698 -10.041 -0.999 301 HB2 GLN 36 HB2 GLN 36 32.592 -9.336 -0.493 302 HB3 GLN 36 HB1 GLN 36 32.048 -10.944 -0.947 303 HG2 GLN 36 HG2 GLN 36 31.694 -8.443 -2.585 304 HG3 GLN 36 HG1 GLN 36 32.892 -9.706 -2.865 305 HE21 GLN 36 HE21 GLN 36 30.766 -8.740 -4.614 306 HE22 GLN 36 HE22 GLN 36 29.783 -10.118 -4.978 Start of MODEL 8 1 H1 THR 1 HT1 THR 1 -24.251 -2.462 5.864 2 H2 THR 1 HT2 THR 1 -22.984 -1.340 5.884 3 H3 THR 1 HT3 THR 1 -24.155 -1.316 7.102 4 HA THR 1 HA THR 1 -23.440 -3.426 7.931 5 HB THR 1 HB THR 1 -21.230 -4.305 6.934 6 HG1 THR 1 HG1 THR 1 -21.676 -3.646 4.430 7 HG21 THR 1 HG21 THR 1 -22.430 -5.612 5.214 8 HG22 THR 1 HG22 THR 1 -23.805 -4.519 5.370 9 HG23 THR 1 HG23 THR 1 -23.320 -5.525 6.732 10 H TRP 2 HN TRP 2 -22.252 -3.187 9.748 11 HA TRP 2 HA TRP 2 -20.958 -0.751 10.318 12 HB2 TRP 2 HB2 TRP 2 -21.033 -3.409 11.728 13 HB3 TRP 2 HB1 TRP 2 -20.069 -2.072 12.344 14 HD1 TRP 2 HD1 TRP 2 -21.318 -0.123 13.563 15 HE1 TRP 2 HE1 TRP 2 -23.743 0.210 14.356 16 HE3 TRP 2 HE3 TRP 2 -23.527 -3.983 11.039 17 HZ2 TRP 2 HZ2 TRP 2 -26.261 -1.013 13.961 18 HZ3 TRP 2 HZ3 TRP 2 -25.946 -4.330 11.301 19 HH2 TRP 2 HH2 TRP 2 -27.284 -2.877 12.731 20 H SER 3 HN SER 3 -19.049 -0.068 9.718 21 HA SER 3 HA SER 3 -16.936 0.021 8.913 22 HB2 SER 3 HB2 SER 3 -16.582 -2.683 10.226 23 HB3 SER 3 HB1 SER 3 -15.308 -1.547 9.790 24 HG SER 3 HG SER 3 -16.735 -1.661 12.042 25 H GLY 4 HN GLY 4 -18.819 -0.773 7.108 26 HA2 GLY 4 HA2 GLY 4 -17.212 -2.433 5.320 27 HA3 GLY 4 HA1 GLY 4 -18.833 -3.004 5.690 28 H THR 5 HN THR 5 -20.295 -0.706 5.687 29 HA THR 5 HA THR 5 -20.978 -0.359 3.059 30 HB THR 5 HB THR 5 -21.418 1.974 4.834 31 HG1 THR 5 HG1 THR 5 -21.787 0.635 6.470 32 HG21 THR 5 HG21 THR 5 -23.249 0.163 3.271 33 HG22 THR 5 HG22 THR 5 -22.585 1.693 2.696 34 HG23 THR 5 HG23 THR 5 -23.711 1.672 4.055 35 H LYS 6 HN LYS 6 -19.071 1.901 5.054 36 HA LYS 6 HA LYS 6 -18.317 3.317 2.597 37 HB2 LYS 6 HB2 LYS 6 -18.157 4.202 5.482 38 HB3 LYS 6 HB1 LYS 6 -17.674 5.172 4.098 39 HG2 LYS 6 HG2 LYS 6 -19.993 5.050 3.252 40 HG3 LYS 6 HG1 LYS 6 -20.446 4.185 4.721 41 HD2 LYS 6 HD2 LYS 6 -21.009 6.530 4.940 42 HD3 LYS 6 HD1 LYS 6 -19.706 6.123 6.058 43 HE2 LYS 6 HE2 LYS 6 -19.350 8.279 4.908 44 HE3 LYS 6 HE1 LYS 6 -18.073 7.111 4.581 45 HZ1 LYS 6 HZ1 LYS 6 -20.355 7.656 2.760 46 HZ2 LYS 6 HZ2 LYS 6 -19.028 6.659 2.441 47 HZ3 LYS 6 HZ3 LYS 6 -18.813 8.327 2.593 48 H LYS 7 HN LYS 7 -17.122 0.794 3.532 49 HA LYS 7 HA LYS 7 -14.346 1.736 3.864 50 HB2 LYS 7 HB2 LYS 7 -15.562 -0.874 4.786 51 HB3 LYS 7 HB1 LYS 7 -13.865 -0.446 4.927 52 HG2 LYS 7 HG2 LYS 7 -16.148 0.997 6.261 53 HG3 LYS 7 HG1 LYS 7 -15.074 -0.167 7.035 54 HD2 LYS 7 HD2 LYS 7 -14.223 2.457 5.806 55 HD3 LYS 7 HD1 LYS 7 -14.439 2.156 7.530 56 HE2 LYS 7 HE2 LYS 7 -12.688 0.423 7.417 57 HE3 LYS 7 HE1 LYS 7 -12.447 0.802 5.713 58 HZ1 LYS 7 HZ1 LYS 7 -11.958 2.590 8.025 59 HZ2 LYS 7 HZ2 LYS 7 -11.896 3.100 6.420 60 HZ3 LYS 7 HZ3 LYS 7 -10.801 1.938 6.979 61 H ARG 8 HN ARG 8 -15.898 1.353 1.409 62 HA ARG 8 HA ARG 8 -14.925 -1.101 0.224 63 HB2 ARG 8 HB2 ARG 8 -17.204 0.008 -0.205 64 HB3 ARG 8 HB1 ARG 8 -16.331 1.164 -1.192 65 HG2 ARG 8 HG2 ARG 8 -16.278 -1.804 -1.679 66 HG3 ARG 8 HG1 ARG 8 -17.435 -0.711 -2.432 67 HD2 ARG 8 HD2 ARG 8 -14.435 -0.660 -2.720 68 HD3 ARG 8 HD1 ARG 8 -15.610 -1.126 -3.950 69 HE ARG 8 HE ARG 8 -16.161 1.498 -3.092 70 HH11 ARG 8 HH11 ARG 8 -13.773 -0.297 -4.916 71 HH12 ARG 8 HH12 ARG 8 -13.304 1.063 -5.885 72 HH21 ARG 8 HH21 ARG 8 -15.541 3.297 -4.356 73 HH22 ARG 8 HH22 ARG 8 -14.307 3.113 -5.562 74 H ALA 9 HN ALA 9 -14.551 2.394 -0.466 75 HA ALA 9 HA ALA 9 -12.324 1.912 -2.222 76 HB1 ALA 9 HB1 ALA 9 -13.814 3.822 -2.566 77 HB2 ALA 9 HB2 ALA 9 -12.146 4.343 -2.334 78 HB3 ALA 9 HB3 ALA 9 -13.309 4.498 -1.017 79 H GLN 10 HN GLN 10 -12.775 2.469 1.144 80 HA GLN 10 HA GLN 10 -10.086 3.302 1.680 81 HB2 GLN 10 HB2 GLN 10 -12.348 2.419 3.460 82 HB3 GLN 10 HB1 GLN 10 -10.760 2.842 4.086 83 HG2 GLN 10 HG2 GLN 10 -12.567 4.657 2.505 84 HG3 GLN 10 HG1 GLN 10 -12.318 4.705 4.249 85 HE21 GLN 10 HE21 GLN 10 -10.366 5.457 5.061 86 HE22 GLN 10 HE22 GLN 10 -9.269 6.383 4.102 87 H ARG 11 HN ARG 11 -11.568 0.268 1.119 88 HA ARG 11 HA ARG 11 -9.621 -1.261 2.578 89 HB2 ARG 11 HB2 ARG 11 -10.651 -3.176 1.748 90 HB3 ARG 11 HB1 ARG 11 -11.981 -2.025 1.759 91 HG2 ARG 11 HG2 ARG 11 -11.659 -1.630 -0.629 92 HG3 ARG 11 HG1 ARG 11 -10.332 -2.793 -0.642 93 HD2 ARG 11 HD2 ARG 11 -13.198 -3.392 0.083 94 HD3 ARG 11 HD1 ARG 11 -12.422 -3.778 -1.451 95 HE ARG 11 HE ARG 11 -11.010 -4.898 0.759 96 HH11 ARG 11 HH11 ARG 11 -13.797 -5.352 -1.322 97 HH12 ARG 11 HH12 ARG 11 -13.865 -7.066 -1.067 98 HH21 ARG 11 HH21 ARG 11 -11.094 -7.149 1.091 99 HH22 ARG 11 HH22 ARG 11 -12.324 -8.089 0.305 100 H ILE 12 HN ILE 12 -9.903 0.195 -0.545 101 HA ILE 12 HA ILE 12 -7.775 -1.142 -1.851 102 HB ILE 12 HB ILE 12 -8.831 1.652 -2.342 103 HG12 ILE 12 HG12 ILE 12 -9.615 -0.970 -3.632 104 HG13 ILE 12 HG11 ILE 12 -10.583 -0.093 -2.453 105 HG21 ILE 12 HG21 ILE 12 -7.258 -0.199 -4.135 106 HG22 ILE 12 HG22 ILE 12 -6.663 1.284 -3.388 107 HG23 ILE 12 HG23 ILE 12 -7.934 1.360 -4.608 108 HD11 ILE 12 HD11 ILE 12 -9.823 0.872 -5.201 109 HD12 ILE 12 HD12 ILE 12 -10.759 1.784 -4.019 110 HD13 ILE 12 HD13 ILE 12 -11.406 0.290 -4.693 111 H LEU 13 HN LEU 13 -7.998 1.537 0.346 112 HA LEU 13 HA LEU 13 -5.495 2.692 0.116 113 HB2 LEU 13 HB2 LEU 13 -7.402 3.539 1.476 114 HB3 LEU 13 HB1 LEU 13 -7.132 2.255 2.628 115 HG LEU 13 HG LEU 13 -6.321 4.552 3.292 116 HD11 LEU 13 HD11 LEU 13 -4.276 2.343 3.241 117 HD12 LEU 13 HD12 LEU 13 -5.540 2.571 4.450 118 HD13 LEU 13 HD13 LEU 13 -4.244 3.757 4.295 119 HD21 LEU 13 HD21 LEU 13 -4.183 3.982 1.254 120 HD22 LEU 13 HD22 LEU 13 -4.187 5.312 2.413 121 HD23 LEU 13 HD23 LEU 13 -5.413 5.241 1.147 122 H ILE 14 HN ILE 14 -6.514 -0.232 1.794 123 HA ILE 14 HA ILE 14 -4.154 -0.755 3.221 124 HB ILE 14 HB ILE 14 -6.077 -2.779 2.050 125 HG12 ILE 14 HG12 ILE 14 -6.081 -1.458 4.777 126 HG13 ILE 14 HG11 ILE 14 -7.186 -1.067 3.464 127 HG21 ILE 14 HG21 ILE 14 -5.284 -4.237 3.858 128 HG22 ILE 14 HG22 ILE 14 -4.129 -2.996 4.345 129 HG23 ILE 14 HG23 ILE 14 -3.974 -3.773 2.770 130 HD11 ILE 14 HD11 ILE 14 -8.097 -3.324 3.553 131 HD12 ILE 14 HD12 ILE 14 -8.232 -2.514 5.114 132 HD13 ILE 14 HD13 ILE 14 -6.979 -3.728 4.855 133 H PHE 15 HN PHE 15 -5.195 -1.796 -0.005 134 HA PHE 15 HA PHE 15 -2.880 -3.294 -0.625 135 HB2 PHE 15 HB2 PHE 15 -4.857 -1.926 -2.472 136 HB3 PHE 15 HB1 PHE 15 -3.653 -3.101 -2.980 137 HD1 PHE 15 HD2 PHE 15 -6.758 -2.620 -1.081 138 HD2 PHE 15 HD1 PHE 15 -3.986 -5.434 -2.651 139 HE1 PHE 15 HE2 PHE 15 -8.363 -4.430 -0.649 140 HE2 PHE 15 HE1 PHE 15 -5.586 -7.252 -2.223 141 HZ PHE 15 HZ PHE 15 -7.777 -6.751 -1.221 142 H LEU 16 HN LEU 16 -3.797 0.075 -1.260 143 HA LEU 16 HA LEU 16 -1.476 0.635 -2.797 144 HB2 LEU 16 HB2 LEU 16 -2.322 2.734 -3.084 145 HB3 LEU 16 HB1 LEU 16 -3.781 1.854 -2.690 146 HG LEU 16 HG LEU 16 -3.393 2.699 -0.280 147 HD11 LEU 16 HD11 LEU 16 -1.083 3.511 -0.795 148 HD12 LEU 16 HD12 LEU 16 -2.137 4.709 -0.040 149 HD13 LEU 16 HD13 LEU 16 -1.816 4.783 -1.773 150 HD21 LEU 16 HD21 LEU 16 -5.212 3.409 -1.764 151 HD22 LEU 16 HD22 LEU 16 -4.144 4.602 -2.498 152 HD23 LEU 16 HD23 LEU 16 -4.601 4.753 -0.803 153 H LEU 17 HN LEU 17 -2.241 0.827 0.614 154 HA LEU 17 HA LEU 17 0.019 2.240 1.477 155 HB2 LEU 17 HB2 LEU 17 -1.852 1.775 2.948 156 HB3 LEU 17 HB1 LEU 17 -1.561 0.051 2.824 157 HG LEU 17 HG LEU 17 0.586 0.337 4.000 158 HD11 LEU 17 HD11 LEU 17 1.080 2.472 5.092 159 HD12 LEU 17 HD12 LEU 17 -0.291 3.207 4.262 160 HD13 LEU 17 HD13 LEU 17 1.085 2.614 3.334 161 HD21 LEU 17 HD21 LEU 17 -0.369 0.822 6.202 162 HD22 LEU 17 HD22 LEU 17 -1.422 -0.223 5.249 163 HD23 LEU 17 HD23 LEU 17 -1.806 1.489 5.426 164 H GLU 18 HN GLU 18 -0.530 -1.262 1.282 165 HA GLU 18 HA GLU 18 2.109 -2.033 1.851 166 HB2 GLU 18 HB2 GLU 18 -0.058 -3.446 0.298 167 HB3 GLU 18 HB1 GLU 18 1.451 -4.201 0.779 168 HG2 GLU 18 HG2 GLU 18 0.816 -3.549 3.161 169 HG3 GLU 18 HG1 GLU 18 -0.794 -3.240 2.511 170 H PHE 19 HN PHE 19 0.556 -1.041 -1.110 171 HA PHE 19 HA PHE 19 2.557 -1.858 -2.923 172 HB2 PHE 19 HB2 PHE 19 0.291 -1.140 -3.617 173 HB3 PHE 19 HB1 PHE 19 0.674 0.505 -3.122 174 HD1 PHE 19 HD2 PHE 19 1.321 -2.121 -5.592 175 HD2 PHE 19 HD1 PHE 19 2.060 1.917 -4.478 176 HE1 PHE 19 HE2 PHE 19 2.215 -1.669 -7.836 177 HE2 PHE 19 HE1 PHE 19 2.956 2.377 -6.721 178 HZ PHE 19 HZ PHE 19 3.035 0.583 -8.403 179 H LEU 20 HN LEU 20 1.994 1.247 -1.271 180 HA LEU 20 HA LEU 20 4.236 2.599 -2.248 181 HB2 LEU 20 HB2 LEU 20 2.431 2.877 0.086 182 HB3 LEU 20 HB1 LEU 20 3.951 3.742 0.153 183 HG LEU 20 HG LEU 20 3.395 5.078 -1.726 184 HD11 LEU 20 HD11 LEU 20 2.446 3.390 -3.182 185 HD12 LEU 20 HD12 LEU 20 1.343 4.758 -3.038 186 HD13 LEU 20 HD13 LEU 20 1.023 3.268 -2.149 187 HD21 LEU 20 HD21 LEU 20 2.325 5.751 0.338 188 HD22 LEU 20 HD22 LEU 20 0.953 4.701 -0.010 189 HD23 LEU 20 HD23 LEU 20 1.274 6.100 -1.034 190 H LEU 21 HN LEU 21 3.890 0.454 0.538 191 HA LEU 21 HA LEU 21 6.441 0.915 1.661 192 HB2 LEU 21 HB2 LEU 21 4.835 -1.640 1.771 193 HB3 LEU 21 HB1 LEU 21 6.089 -1.142 2.889 194 HG LEU 21 HG LEU 21 3.419 0.203 2.532 195 HD11 LEU 21 HD11 LEU 21 4.484 -1.495 4.782 196 HD12 LEU 21 HD12 LEU 21 3.252 -1.975 3.616 197 HD13 LEU 21 HD13 LEU 21 2.927 -0.670 4.754 198 HD21 LEU 21 HD21 LEU 21 5.661 0.762 4.469 199 HD22 LEU 21 HD22 LEU 21 4.060 1.503 4.515 200 HD23 LEU 21 HD23 LEU 21 5.133 1.806 3.147 201 H ASP 22 HN ASP 22 5.251 -1.531 -0.594 202 HA ASP 22 HA ASP 22 7.775 -2.817 -0.941 203 HB2 ASP 22 HB2 ASP 22 5.638 -3.958 -1.373 204 HB3 ASP 22 HB1 ASP 22 5.322 -2.861 -2.713 205 H PHE 23 HN PHE 23 6.124 -0.189 -2.507 206 HA PHE 23 HA PHE 23 7.827 0.084 -4.753 207 HB2 PHE 23 HB2 PHE 23 5.558 1.116 -4.496 208 HB3 PHE 23 HB1 PHE 23 6.242 2.231 -3.321 209 HD1 PHE 23 HD1 PHE 23 6.397 1.180 -6.863 210 HD2 PHE 23 HD2 PHE 23 7.313 4.201 -4.009 211 HE1 PHE 23 HE1 PHE 23 6.968 2.726 -8.688 212 HE2 PHE 23 HE2 PHE 23 7.888 5.752 -5.831 213 HZ PHE 23 HZ PHE 23 7.715 5.015 -8.171 214 H CYS 24 HN CYS 24 8.051 1.037 -1.424 215 HA CYS 24 HA CYS 24 10.238 2.870 -1.853 216 HB2 CYS 24 HB2 CYS 24 8.603 3.237 -0.043 217 HB3 CYS 24 HB1 CYS 24 9.120 1.737 0.720 218 HG CYS 24 HG CYS 24 11.380 4.220 0.159 219 H THR 25 HN THR 25 9.845 -0.511 -1.128 220 HA THR 25 HA THR 25 12.554 -0.803 -0.184 221 HB THR 25 HB THR 25 11.993 -3.295 -0.349 222 HG1 THR 25 HG1 THR 25 9.659 -3.645 -0.381 223 HG21 THR 25 HG21 THR 25 10.635 -3.231 1.692 224 HG22 THR 25 HG22 THR 25 10.317 -1.517 1.420 225 HG23 THR 25 HG23 THR 25 11.959 -2.068 1.756 226 H GLY 26 HN GLY 26 10.848 -2.422 -2.890 227 HA2 GLY 26 HA2 GLY 26 11.632 -3.013 -4.982 228 HA3 GLY 26 HA1 GLY 26 12.873 -1.777 -4.795 229 H GLU 27 HN GLU 27 12.073 -4.802 -3.148 230 HA GLU 27 HA GLU 27 14.769 -5.372 -2.491 231 HB2 GLU 27 HB2 GLU 27 12.398 -7.242 -2.484 232 HB3 GLU 27 HB1 GLU 27 13.893 -7.435 -1.576 233 HG2 GLU 27 HG2 GLU 27 13.382 -5.478 -0.253 234 HG3 GLU 27 HG1 GLU 27 11.928 -5.188 -1.205 235 H ASP 28 HN ASP 28 12.879 -5.970 -5.275 236 HA ASP 28 HA ASP 28 14.517 -8.191 -6.183 237 HB2 ASP 28 HB2 ASP 28 13.032 -8.283 -8.086 238 HB3 ASP 28 HB1 ASP 28 12.062 -8.124 -6.627 239 H SER 29 HN SER 29 15.034 -5.040 -5.923 240 HA SER 29 HA SER 29 16.617 -3.648 -6.749 241 HB2 SER 29 HB2 SER 29 17.956 -5.784 -7.004 242 HB3 SER 29 HB1 SER 29 17.403 -5.845 -8.676 243 HG SER 29 HG SER 29 19.162 -4.042 -7.433 244 H VAL 30 HN VAL 30 17.513 -3.249 -9.365 245 HA VAL 30 HA VAL 30 16.933 -1.753 -10.973 246 HB VAL 30 HB VAL 30 16.748 -3.946 -12.086 247 HG11 VAL 30 HG11 VAL 30 13.786 -3.702 -11.613 248 HG12 VAL 30 HG12 VAL 30 14.862 -4.909 -10.912 249 HG13 VAL 30 HG13 VAL 30 14.570 -4.892 -12.651 250 HG21 VAL 30 HG21 VAL 30 14.911 -1.784 -13.070 251 HG22 VAL 30 HG22 VAL 30 15.452 -3.149 -14.046 252 HG23 VAL 30 HG23 VAL 30 16.625 -1.983 -13.429 253 H ASP 31 HN ASP 31 16.015 -0.532 -9.080 254 HA ASP 31 HA ASP 31 13.167 -0.287 -8.877 255 HB2 ASP 31 HB2 ASP 31 14.600 0.078 -6.922 256 HB3 ASP 31 HB1 ASP 31 15.389 1.425 -7.735 257 H GLY 32 HN GLY 32 11.897 0.916 -10.109 258 HA2 GLY 32 HA2 GLY 32 11.248 2.964 -11.095 259 HA3 GLY 32 HA1 GLY 32 12.943 3.411 -11.221 260 H LYS 33 HN LYS 33 14.014 1.240 -12.490 261 HA LYS 33 HA LYS 33 14.433 0.431 -14.565 262 HB2 LYS 33 HB2 LYS 33 11.411 0.416 -14.732 263 HB3 LYS 33 HB1 LYS 33 12.479 -0.371 -15.889 264 HG2 LYS 33 HG2 LYS 33 13.297 -1.866 -14.208 265 HG3 LYS 33 HG1 LYS 33 12.412 -1.006 -12.949 266 HD2 LYS 33 HD2 LYS 33 10.300 -1.638 -14.025 267 HD3 LYS 33 HD1 LYS 33 11.202 -2.521 -15.259 268 HE2 LYS 33 HE2 LYS 33 10.360 -4.023 -13.524 269 HE3 LYS 33 HE1 LYS 33 12.122 -3.995 -13.549 270 HZ1 LYS 33 HZ1 LYS 33 10.422 -2.460 -11.657 271 HZ2 LYS 33 HZ2 LYS 33 12.113 -2.520 -11.653 272 HZ3 LYS 33 HZ3 LYS 33 11.213 -3.909 -11.293 273 H LYS 34 HN LYS 34 15.096 2.849 -14.584 274 HA LYS 34 HA LYS 34 13.541 4.620 -16.174 275 HB2 LYS 34 HB2 LYS 34 15.511 6.102 -16.056 276 HB3 LYS 34 HB1 LYS 34 15.016 5.506 -14.481 277 HG2 LYS 34 HG2 LYS 34 16.819 3.806 -14.614 278 HG3 LYS 34 HG1 LYS 34 17.352 4.551 -16.122 279 HD2 LYS 34 HD2 LYS 34 17.190 5.930 -13.443 280 HD3 LYS 34 HD1 LYS 34 18.664 5.330 -14.200 281 HE2 LYS 34 HE2 LYS 34 18.355 6.872 -16.056 282 HE3 LYS 34 HE1 LYS 34 16.848 7.446 -15.346 283 HZ1 LYS 34 HZ1 LYS 34 19.530 7.688 -14.104 284 HZ2 LYS 34 HZ2 LYS 34 18.084 8.269 -13.454 285 HZ3 LYS 34 HZ3 LYS 34 18.699 8.936 -14.882 286 H ARG 35 HN ARG 35 13.248 4.428 -18.254 287 HA ARG 35 HA ARG 35 15.563 4.012 -19.980 288 HB2 ARG 35 HB2 ARG 35 14.306 2.453 -21.423 289 HB3 ARG 35 HB1 ARG 35 14.574 1.795 -19.817 290 HG2 ARG 35 HG2 ARG 35 12.311 2.217 -19.189 291 HG3 ARG 35 HG1 ARG 35 12.014 3.125 -20.673 292 HD2 ARG 35 HD2 ARG 35 12.710 0.194 -20.526 293 HD3 ARG 35 HD1 ARG 35 11.089 0.846 -20.766 294 HE ARG 35 HE ARG 35 12.956 1.810 -22.708 295 HH11 ARG 35 HH11 ARG 35 10.908 -0.905 -21.882 296 HH12 ARG 35 HH12 ARG 35 10.728 -1.428 -23.526 297 HH21 ARG 35 HH21 ARG 35 12.733 1.116 -24.866 298 HH22 ARG 35 HH22 ARG 35 11.764 -0.278 -25.226 299 H GLN 36 HN GLN 36 13.883 6.253 -19.157 300 HA GLN 36 HA GLN 36 12.433 6.926 -21.599 301 HB2 GLN 36 HB2 GLN 36 11.403 7.288 -19.330 302 HB3 GLN 36 HB1 GLN 36 12.637 8.500 -19.022 303 HG2 GLN 36 HG2 GLN 36 10.908 8.749 -21.437 304 HG3 GLN 36 HG1 GLN 36 10.269 9.193 -19.858 305 HE21 GLN 36 HE21 GLN 36 10.857 10.819 -22.234 306 HE22 GLN 36 HE22 GLN 36 11.938 12.055 -21.696 Start of MODEL 9 1 H1 THR 1 HT1 THR 1 -19.825 1.780 -4.555 2 H2 THR 1 HT2 THR 1 -18.397 1.116 -3.944 3 H3 THR 1 HT3 THR 1 -18.801 2.718 -3.593 4 HA THR 1 HA THR 1 -19.200 1.243 -1.720 5 HB THR 1 HB THR 1 -20.529 3.248 -1.832 6 HG1 THR 1 HG1 THR 1 -22.699 1.764 -1.271 7 HG21 THR 1 HG21 THR 1 -21.382 3.063 -4.104 8 HG22 THR 1 HG22 THR 1 -22.710 3.314 -2.971 9 HG23 THR 1 HG23 THR 1 -22.404 1.706 -3.629 10 H TRP 2 HN TRP 2 -19.852 -0.684 -0.986 11 HA TRP 2 HA TRP 2 -21.942 -2.234 -2.099 12 HB2 TRP 2 HB2 TRP 2 -20.137 -2.534 -3.845 13 HB3 TRP 2 HB1 TRP 2 -19.174 -3.324 -2.604 14 HD1 TRP 2 HD1 TRP 2 -19.934 -5.765 -1.831 15 HE1 TRP 2 HE1 TRP 2 -21.454 -7.526 -2.938 16 HE3 TRP 2 HE3 TRP 2 -22.241 -2.780 -5.269 17 HZ2 TRP 2 HZ2 TRP 2 -23.387 -7.623 -4.995 18 HZ3 TRP 2 HZ3 TRP 2 -23.917 -3.780 -6.769 19 HH2 TRP 2 HH2 TRP 2 -24.475 -6.153 -6.631 20 H SER 3 HN SER 3 -18.802 -2.678 -0.584 21 HA SER 3 HA SER 3 -20.167 -3.747 1.794 22 HB2 SER 3 HB2 SER 3 -17.294 -4.224 0.954 23 HB3 SER 3 HB1 SER 3 -18.136 -4.980 2.307 24 HG SER 3 HG SER 3 -19.500 -6.011 0.821 25 H GLY 4 HN GLY 4 -20.506 -1.439 2.262 26 HA2 GLY 4 HA2 GLY 4 -19.737 0.185 3.867 27 HA3 GLY 4 HA1 GLY 4 -18.089 -0.142 3.335 28 H THR 5 HN THR 5 -20.265 2.186 3.276 29 HA THR 5 HA THR 5 -20.720 2.905 0.636 30 HB THR 5 HB THR 5 -20.872 5.275 1.525 31 HG1 THR 5 HG1 THR 5 -20.643 5.570 3.732 32 HG21 THR 5 HG21 THR 5 -22.406 3.108 2.966 33 HG22 THR 5 HG22 THR 5 -22.823 3.822 1.408 34 HG23 THR 5 HG23 THR 5 -22.879 4.804 2.872 35 H LYS 6 HN LYS 6 -18.293 4.513 2.705 36 HA LYS 6 HA LYS 6 -16.611 4.787 0.307 37 HB2 LYS 6 HB2 LYS 6 -16.504 6.320 2.908 38 HB3 LYS 6 HB1 LYS 6 -15.459 6.592 1.522 39 HG2 LYS 6 HG2 LYS 6 -17.413 7.213 0.182 40 HG3 LYS 6 HG1 LYS 6 -18.444 6.960 1.591 41 HD2 LYS 6 HD2 LYS 6 -16.197 8.965 1.389 42 HD3 LYS 6 HD1 LYS 6 -17.917 9.333 1.260 43 HE2 LYS 6 HE2 LYS 6 -18.233 8.456 3.551 44 HE3 LYS 6 HE1 LYS 6 -16.492 8.210 3.668 45 HZ1 LYS 6 HZ1 LYS 6 -17.160 10.279 4.702 46 HZ2 LYS 6 HZ2 LYS 6 -17.844 10.819 3.252 47 HZ3 LYS 6 HZ3 LYS 6 -16.171 10.583 3.364 48 H LYS 7 HN LYS 7 -16.935 3.118 3.213 49 HA LYS 7 HA LYS 7 -14.257 2.781 4.003 50 HB2 LYS 7 HB2 LYS 7 -16.610 0.919 4.384 51 HB3 LYS 7 HB1 LYS 7 -15.078 0.809 5.241 52 HG2 LYS 7 HG2 LYS 7 -15.464 2.992 6.242 53 HG3 LYS 7 HG1 LYS 7 -16.990 3.131 5.367 54 HD2 LYS 7 HD2 LYS 7 -17.821 1.135 6.537 55 HD3 LYS 7 HD1 LYS 7 -16.302 1.039 7.431 56 HE2 LYS 7 HE2 LYS 7 -18.231 3.357 7.499 57 HE3 LYS 7 HE1 LYS 7 -18.096 2.107 8.734 58 HZ1 LYS 7 HZ1 LYS 7 -15.837 2.808 9.164 59 HZ2 LYS 7 HZ2 LYS 7 -16.890 4.119 9.338 60 HZ3 LYS 7 HZ3 LYS 7 -15.931 3.984 7.953 61 H ARG 8 HN ARG 8 -16.227 1.156 1.605 62 HA ARG 8 HA ARG 8 -14.496 -1.017 1.110 63 HB2 ARG 8 HB2 ARG 8 -16.897 -0.796 0.348 64 HB3 ARG 8 HB1 ARG 8 -16.339 0.325 -0.881 65 HG2 ARG 8 HG2 ARG 8 -15.197 -2.435 -0.705 66 HG3 ARG 8 HG1 ARG 8 -16.734 -2.138 -1.516 67 HD2 ARG 8 HD2 ARG 8 -15.682 -0.615 -3.054 68 HD3 ARG 8 HD1 ARG 8 -14.156 -0.725 -2.180 69 HE ARG 8 HE ARG 8 -14.979 -3.290 -3.045 70 HH11 ARG 8 HH11 ARG 8 -13.655 -0.285 -4.239 71 HH12 ARG 8 HH12 ARG 8 -12.835 -1.025 -5.575 72 HH21 ARG 8 HH21 ARG 8 -13.911 -4.275 -4.806 73 HH22 ARG 8 HH22 ARG 8 -12.990 -3.299 -5.905 74 H ALA 9 HN ALA 9 -14.540 2.313 0.041 75 HA ALA 9 HA ALA 9 -12.463 1.970 -1.912 76 HB1 ALA 9 HB1 ALA 9 -12.441 4.409 -2.020 77 HB2 ALA 9 HB2 ALA 9 -13.487 4.490 -0.602 78 HB3 ALA 9 HB3 ALA 9 -14.091 3.791 -2.104 79 H GLN 10 HN GLN 10 -12.680 2.784 1.483 80 HA GLN 10 HA GLN 10 -9.989 3.692 1.736 81 HB2 GLN 10 HB2 GLN 10 -11.818 2.658 3.905 82 HB3 GLN 10 HB1 GLN 10 -10.368 3.621 4.133 83 HG2 GLN 10 HG2 GLN 10 -12.918 4.510 2.806 84 HG3 GLN 10 HG1 GLN 10 -12.347 4.978 4.403 85 HE21 GLN 10 HE21 GLN 10 -12.308 7.142 3.968 86 HE22 GLN 10 HE22 GLN 10 -11.180 7.875 2.879 87 H ARG 11 HN ARG 11 -11.507 0.561 1.789 88 HA ARG 11 HA ARG 11 -9.275 -0.755 3.025 89 HB2 ARG 11 HB2 ARG 11 -10.393 -2.791 2.656 90 HB3 ARG 11 HB1 ARG 11 -11.673 -1.629 2.967 91 HG2 ARG 11 HG2 ARG 11 -12.252 -1.524 0.667 92 HG3 ARG 11 HG1 ARG 11 -10.817 -2.444 0.205 93 HD2 ARG 11 HD2 ARG 11 -13.136 -3.457 1.842 94 HD3 ARG 11 HD1 ARG 11 -12.796 -3.856 0.158 95 HE ARG 11 HE ARG 11 -10.522 -4.567 1.473 96 HH11 ARG 11 HH11 ARG 11 -13.904 -5.372 1.842 97 HH12 ARG 11 HH12 ARG 11 -13.587 -6.944 2.505 98 HH21 ARG 11 HH21 ARG 11 -10.095 -6.625 2.340 99 HH22 ARG 11 HH22 ARG 11 -11.415 -7.650 2.804 100 H ILE 12 HN ILE 12 -10.047 0.334 -0.139 101 HA ILE 12 HA ILE 12 -8.286 -1.357 -1.596 102 HB ILE 12 HB ILE 12 -9.182 1.457 -2.269 103 HG12 ILE 12 HG12 ILE 12 -11.099 -0.023 -1.988 104 HG13 ILE 12 HG11 ILE 12 -10.875 0.355 -3.692 105 HG21 ILE 12 HG21 ILE 12 -8.028 -0.699 -4.033 106 HG22 ILE 12 HG22 ILE 12 -7.223 0.792 -3.544 107 HG23 ILE 12 HG23 ILE 12 -8.646 0.858 -4.584 108 HD11 ILE 12 HD11 ILE 12 -10.099 -2.197 -2.306 109 HD12 ILE 12 HD12 ILE 12 -9.776 -1.824 -3.999 110 HD13 ILE 12 HD13 ILE 12 -11.440 -1.967 -3.427 111 H LEU 13 HN LEU 13 -7.939 1.552 0.277 112 HA LEU 13 HA LEU 13 -5.411 2.384 -0.517 113 HB2 LEU 13 HB2 LEU 13 -6.679 2.543 2.213 114 HB3 LEU 13 HB1 LEU 13 -5.248 3.428 1.722 115 HG LEU 13 HG LEU 13 -8.019 3.768 0.570 116 HD11 LEU 13 HD11 LEU 13 -7.945 5.952 1.655 117 HD12 LEU 13 HD12 LEU 13 -6.368 5.564 2.342 118 HD13 LEU 13 HD13 LEU 13 -7.793 4.650 2.835 119 HD21 LEU 13 HD21 LEU 13 -6.341 4.160 -1.128 120 HD22 LEU 13 HD22 LEU 13 -5.435 5.204 -0.033 121 HD23 LEU 13 HD23 LEU 13 -7.028 5.696 -0.606 122 H ILE 14 HN ILE 14 -6.408 -0.241 1.557 123 HA ILE 14 HA ILE 14 -3.988 -0.763 2.864 124 HB ILE 14 HB ILE 14 -6.042 -2.785 1.955 125 HG12 ILE 14 HG12 ILE 14 -7.061 -0.959 3.242 126 HG13 ILE 14 HG11 ILE 14 -7.063 -2.458 4.151 127 HG21 ILE 14 HG21 ILE 14 -5.229 -4.099 3.867 128 HG22 ILE 14 HG22 ILE 14 -3.982 -2.886 4.157 129 HG23 ILE 14 HG23 ILE 14 -3.972 -3.822 2.662 130 HD11 ILE 14 HD11 ILE 14 -5.116 -1.675 5.418 131 HD12 ILE 14 HD12 ILE 14 -6.508 -0.603 5.582 132 HD13 ILE 14 HD13 ILE 14 -5.171 -0.155 4.524 133 H PHE 15 HN PHE 15 -5.296 -2.002 -0.179 134 HA PHE 15 HA PHE 15 -3.125 -3.677 -0.831 135 HB2 PHE 15 HB2 PHE 15 -4.984 -2.314 -2.784 136 HB3 PHE 15 HB1 PHE 15 -4.118 -3.827 -3.010 137 HD1 PHE 15 HD2 PHE 15 -4.651 -5.259 -0.534 138 HD2 PHE 15 HD1 PHE 15 -7.233 -2.818 -2.872 139 HE1 PHE 15 HE2 PHE 15 -6.595 -6.473 0.351 140 HE2 PHE 15 HE1 PHE 15 -9.182 -4.028 -1.986 141 HZ PHE 15 HZ PHE 15 -8.865 -5.862 -0.376 142 H LEU 16 HN LEU 16 -3.956 -0.378 -1.729 143 HA LEU 16 HA LEU 16 -1.746 0.164 -3.367 144 HB2 LEU 16 HB2 LEU 16 -3.117 2.150 -1.558 145 HB3 LEU 16 HB1 LEU 16 -2.248 2.489 -3.042 146 HG LEU 16 HG LEU 16 -4.884 1.044 -2.809 147 HD11 LEU 16 HD11 LEU 16 -4.192 3.739 -3.967 148 HD12 LEU 16 HD12 LEU 16 -5.027 3.452 -2.442 149 HD13 LEU 16 HD13 LEU 16 -5.788 2.987 -3.962 150 HD21 LEU 16 HD21 LEU 16 -3.251 1.731 -5.250 151 HD22 LEU 16 HD22 LEU 16 -4.896 1.095 -5.265 152 HD23 LEU 16 HD23 LEU 16 -3.577 0.112 -4.628 153 H LEU 17 HN LEU 17 -2.230 0.556 0.111 154 HA LEU 17 HA LEU 17 0.216 1.782 0.720 155 HB2 LEU 17 HB2 LEU 17 -1.946 1.323 2.147 156 HB3 LEU 17 HB1 LEU 17 -1.084 -0.122 2.628 157 HG LEU 17 HG LEU 17 0.055 2.652 2.968 158 HD11 LEU 17 HD11 LEU 17 -0.620 2.452 5.324 159 HD12 LEU 17 HD12 LEU 17 -1.505 0.979 4.928 160 HD13 LEU 17 HD13 LEU 17 -2.002 2.520 4.230 161 HD21 LEU 17 HD21 LEU 17 1.689 0.826 2.989 162 HD22 LEU 17 HD22 LEU 17 0.762 0.014 4.250 163 HD23 LEU 17 HD23 LEU 17 1.525 1.568 4.580 164 H GLU 18 HN GLU 18 -0.688 -1.652 0.561 165 HA GLU 18 HA GLU 18 1.773 -2.683 1.454 166 HB2 GLU 18 HB2 GLU 18 -0.259 -3.923 -0.403 167 HB3 GLU 18 HB1 GLU 18 1.080 -4.790 0.339 168 HG2 GLU 18 HG2 GLU 18 0.155 -4.187 2.564 169 HG3 GLU 18 HG1 GLU 18 -1.241 -3.491 1.744 170 H PHE 19 HN PHE 19 0.796 -1.374 -1.584 171 HA PHE 19 HA PHE 19 3.184 -2.257 -2.964 172 HB2 PHE 19 HB2 PHE 19 1.180 -1.932 -4.286 173 HB3 PHE 19 HB1 PHE 19 1.034 -0.270 -3.725 174 HD1 PHE 19 HD1 PHE 19 3.386 -2.522 -5.523 175 HD2 PHE 19 HD2 PHE 19 1.924 1.438 -4.990 176 HE1 PHE 19 HE1 PHE 19 4.781 -1.758 -7.397 177 HE2 PHE 19 HE2 PHE 19 3.314 2.207 -6.867 178 HZ PHE 19 HZ PHE 19 4.746 0.605 -8.066 179 H LEU 20 HN LEU 20 1.889 0.733 -1.615 180 HA LEU 20 HA LEU 20 3.969 2.445 -2.336 181 HB2 LEU 20 HB2 LEU 20 2.132 2.580 0.050 182 HB3 LEU 20 HB1 LEU 20 3.137 3.900 -0.515 183 HG LEU 20 HG LEU 20 0.935 2.623 -2.137 184 HD11 LEU 20 HD11 LEU 20 0.960 5.197 -0.574 185 HD12 LEU 20 HD12 LEU 20 0.008 3.759 -0.211 186 HD13 LEU 20 HD13 LEU 20 -0.314 4.682 -1.678 187 HD21 LEU 20 HD21 LEU 20 1.215 4.586 -3.579 188 HD22 LEU 20 HD22 LEU 20 2.681 3.611 -3.508 189 HD23 LEU 20 HD23 LEU 20 2.575 5.113 -2.590 190 H LEU 21 HN LEU 21 3.610 0.410 0.557 191 HA LEU 21 HA LEU 21 5.868 1.469 1.882 192 HB2 LEU 21 HB2 LEU 21 5.767 -0.507 3.323 193 HB3 LEU 21 HB1 LEU 21 4.209 0.266 3.140 194 HG LEU 21 HG LEU 21 3.849 -1.557 1.293 195 HD11 LEU 21 HD11 LEU 21 4.927 -3.679 1.823 196 HD12 LEU 21 HD12 LEU 21 5.899 -2.886 3.062 197 HD13 LEU 21 HD13 LEU 21 6.117 -2.463 1.364 198 HD21 LEU 21 HD21 LEU 21 2.920 -3.059 3.033 199 HD22 LEU 21 HD22 LEU 21 2.472 -1.368 3.249 200 HD23 LEU 21 HD23 LEU 21 3.730 -2.082 4.255 201 H ASP 22 HN ASP 22 5.491 -0.987 -0.556 202 HA ASP 22 HA ASP 22 8.205 -1.926 -0.309 203 HB2 ASP 22 HB2 ASP 22 6.510 -3.488 -1.099 204 HB3 ASP 22 HB1 ASP 22 6.125 -2.425 -2.449 205 H PHE 23 HN PHE 23 6.379 0.268 -2.318 206 HA PHE 23 HA PHE 23 8.385 0.891 -4.192 207 HB2 PHE 23 HB2 PHE 23 5.919 1.483 -4.310 208 HB3 PHE 23 HB1 PHE 23 6.253 2.774 -3.164 209 HD1 PHE 23 HD2 PHE 23 7.578 4.714 -3.832 210 HD2 PHE 23 HD1 PHE 23 6.594 1.636 -6.598 211 HE1 PHE 23 HE2 PHE 23 8.177 6.202 -5.695 212 HE2 PHE 23 HE1 PHE 23 7.190 3.120 -8.467 213 HZ PHE 23 HZ PHE 23 7.983 5.407 -8.017 214 H CYS 24 HN CYS 24 7.458 2.401 -1.117 215 HA CYS 24 HA CYS 24 9.485 4.372 -1.123 216 HB2 CYS 24 HB2 CYS 24 7.470 4.524 0.283 217 HB3 CYS 24 HB1 CYS 24 8.014 3.136 1.217 218 HG CYS 24 HG CYS 24 10.520 4.980 1.533 219 H THR 25 HN THR 25 9.262 1.378 0.826 220 HA THR 25 HA THR 25 12.203 1.324 0.819 221 HB THR 25 HB THR 25 11.896 -0.125 2.928 222 HG1 THR 25 HG1 THR 25 9.685 1.172 3.736 223 HG21 THR 25 HG21 THR 25 12.841 2.127 2.970 224 HG22 THR 25 HG22 THR 25 11.805 1.856 4.371 225 HG23 THR 25 HG23 THR 25 11.218 2.818 3.014 226 H GLY 26 HN GLY 26 9.785 -1.128 1.698 227 HA2 GLY 26 HA2 GLY 26 9.867 -2.713 -0.557 228 HA3 GLY 26 HA1 GLY 26 11.284 -3.166 0.376 229 H GLU 27 HN GLU 27 8.807 -4.670 -0.298 230 HA GLU 27 HA GLU 27 7.733 -5.192 2.364 231 HB2 GLU 27 HB2 GLU 27 6.338 -6.893 1.219 232 HB3 GLU 27 HB1 GLU 27 6.155 -5.288 0.526 233 HG2 GLU 27 HG2 GLU 27 7.444 -5.855 -1.368 234 HG3 GLU 27 HG1 GLU 27 8.000 -7.355 -0.630 235 H ASP 28 HN ASP 28 10.086 -6.401 0.156 236 HA ASP 28 HA ASP 28 10.417 -8.929 1.532 237 HB2 ASP 28 HB2 ASP 28 12.159 -9.375 -0.115 238 HB3 ASP 28 HB1 ASP 28 10.709 -8.794 -0.924 239 H SER 29 HN SER 29 11.761 -5.751 1.547 240 HA SER 29 HA SER 29 13.327 -6.361 3.872 241 HB2 SER 29 HB2 SER 29 15.423 -5.345 2.809 242 HB3 SER 29 HB1 SER 29 15.023 -6.998 2.347 243 HG SER 29 HG SER 29 14.273 -6.285 0.397 244 H VAL 30 HN VAL 30 14.007 -4.480 4.985 245 HA VAL 30 HA VAL 30 12.912 -1.961 3.937 246 HB VAL 30 HB VAL 30 12.687 -2.765 6.843 247 HG11 VAL 30 HG11 VAL 30 12.756 -0.367 6.439 248 HG12 VAL 30 HG12 VAL 30 11.147 -0.860 6.968 249 HG13 VAL 30 HG13 VAL 30 11.446 -0.511 5.266 250 HG21 VAL 30 HG21 VAL 30 11.268 -4.248 5.542 251 HG22 VAL 30 HG22 VAL 30 10.555 -2.866 4.709 252 HG23 VAL 30 HG23 VAL 30 10.284 -3.090 6.438 253 H ASP 31 HN ASP 31 15.164 -1.722 3.339 254 HA ASP 31 HA ASP 31 16.829 -0.816 5.596 255 HB2 ASP 31 HB2 ASP 31 17.489 -3.035 4.369 256 HB3 ASP 31 HB1 ASP 31 18.028 -1.960 3.084 257 H GLY 32 HN GLY 32 18.853 0.400 4.308 258 HA2 GLY 32 HA2 GLY 32 17.455 2.489 2.755 259 HA3 GLY 32 HA1 GLY 32 18.811 2.798 3.830 260 H LYS 33 HN LYS 33 18.823 -0.009 1.832 261 HA LYS 33 HA LYS 33 21.249 0.664 0.558 262 HB2 LYS 33 HB2 LYS 33 19.179 -1.384 -0.268 263 HB3 LYS 33 HB1 LYS 33 20.834 -1.312 -0.845 264 HG2 LYS 33 HG2 LYS 33 20.005 -1.806 2.006 265 HG3 LYS 33 HG1 LYS 33 20.518 -3.040 0.855 266 HD2 LYS 33 HD2 LYS 33 22.703 -1.907 0.666 267 HD3 LYS 33 HD1 LYS 33 22.180 -0.740 1.879 268 HE2 LYS 33 HE2 LYS 33 23.540 -2.435 2.924 269 HE3 LYS 33 HE1 LYS 33 21.876 -2.587 3.482 270 HZ1 LYS 33 HZ1 LYS 33 23.112 -4.246 1.350 271 HZ2 LYS 33 HZ2 LYS 33 21.548 -4.419 1.968 272 HZ3 LYS 33 HZ3 LYS 33 22.885 -4.736 2.951 273 H LYS 34 HN LYS 34 17.877 0.816 -0.436 274 HA LYS 34 HA LYS 34 18.527 1.922 -3.003 275 HB2 LYS 34 HB2 LYS 34 16.040 2.265 -3.175 276 HB3 LYS 34 HB1 LYS 34 16.558 0.604 -2.933 277 HG2 LYS 34 HG2 LYS 34 16.078 0.958 -0.474 278 HG3 LYS 34 HG1 LYS 34 15.287 2.461 -0.948 279 HD2 LYS 34 HD2 LYS 34 14.578 -0.258 -2.030 280 HD3 LYS 34 HD1 LYS 34 13.733 0.539 -0.704 281 HE2 LYS 34 HE2 LYS 34 13.145 2.388 -2.189 282 HE3 LYS 34 HE1 LYS 34 14.000 1.600 -3.515 283 HZ1 LYS 34 HZ1 LYS 34 12.452 -0.190 -3.480 284 HZ2 LYS 34 HZ2 LYS 34 11.561 1.250 -3.521 285 HZ3 LYS 34 HZ3 LYS 34 11.711 0.386 -2.074 286 H ARG 35 HN ARG 35 16.689 3.252 -0.227 287 HA ARG 35 HA ARG 35 18.168 5.588 0.036 288 HB2 ARG 35 HB2 ARG 35 17.272 6.068 -2.253 289 HB3 ARG 35 HB1 ARG 35 15.648 6.036 -1.579 290 HG2 ARG 35 HG2 ARG 35 16.394 8.316 -1.812 291 HG3 ARG 35 HG1 ARG 35 16.248 7.910 -0.101 292 HD2 ARG 35 HD2 ARG 35 18.678 7.489 -0.026 293 HD3 ARG 35 HD1 ARG 35 18.795 7.987 -1.712 294 HE ARG 35 HE ARG 35 17.612 9.920 0.096 295 HH11 ARG 35 HH11 ARG 35 20.493 8.789 -1.523 296 HH12 ARG 35 HH12 ARG 35 21.345 10.289 -1.339 297 HH21 ARG 35 HH21 ARG 35 18.728 11.899 0.353 298 HH22 ARG 35 HH22 ARG 35 20.341 12.056 -0.269 299 H GLN 36 HN GLN 36 17.692 6.366 1.990 300 HA GLN 36 HA GLN 36 14.887 6.523 2.802 301 HB2 GLN 36 HB2 GLN 36 17.116 5.434 4.526 302 HB3 GLN 36 HB1 GLN 36 15.588 6.004 5.177 303 HG2 GLN 36 HG2 GLN 36 14.509 4.305 3.591 304 HG3 GLN 36 HG1 GLN 36 16.125 3.615 3.466 305 HE21 GLN 36 HE21 GLN 36 17.079 2.702 5.319 306 HE22 GLN 36 HE22 GLN 36 16.126 2.218 6.677 Start of MODEL 10 1 H1 THR 1 HT1 THR 1 -29.502 3.038 5.767 2 H2 THR 1 HT2 THR 1 -30.623 4.148 6.369 3 H3 THR 1 HT3 THR 1 -29.616 3.310 7.432 4 HA THR 1 HA THR 1 -28.736 5.273 5.413 5 HB THR 1 HB THR 1 -28.031 6.491 7.602 6 HG1 THR 1 HG1 THR 1 -29.353 6.008 9.372 7 HG21 THR 1 HG21 THR 1 -30.932 6.339 6.771 8 HG22 THR 1 HG22 THR 1 -29.695 7.355 6.032 9 HG23 THR 1 HG23 THR 1 -30.196 7.645 7.697 10 H TRP 2 HN TRP 2 -27.055 4.047 4.610 11 HA TRP 2 HA TRP 2 -24.835 3.683 6.489 12 HB2 TRP 2 HB2 TRP 2 -25.789 1.695 4.430 13 HB3 TRP 2 HB1 TRP 2 -24.162 1.653 5.105 14 HD1 TRP 2 HD1 TRP 2 -27.796 0.960 6.014 15 HE1 TRP 2 HE1 TRP 2 -27.868 -0.329 8.242 16 HE3 TRP 2 HE3 TRP 2 -22.864 1.309 7.310 17 HZ2 TRP 2 HZ2 TRP 2 -26.070 -1.090 10.279 18 HZ3 TRP 2 HZ3 TRP 2 -22.123 0.278 9.418 19 HH2 TRP 2 HH2 TRP 2 -23.695 -0.897 10.871 20 H SER 3 HN SER 3 -23.476 5.220 5.889 21 HA SER 3 HA SER 3 -23.256 6.080 3.153 22 HB2 SER 3 HB2 SER 3 -21.640 6.877 5.586 23 HB3 SER 3 HB1 SER 3 -21.664 7.717 4.035 24 HG SER 3 HG SER 3 -23.229 8.178 6.056 25 H GLY 4 HN GLY 4 -22.657 3.787 2.551 26 HA2 GLY 4 HA2 GLY 4 -19.939 2.980 3.142 27 HA3 GLY 4 HA1 GLY 4 -21.087 2.123 2.127 28 H THR 5 HN THR 5 -19.665 5.374 2.037 29 HA THR 5 HA THR 5 -19.397 5.263 -0.820 30 HB THR 5 HB THR 5 -18.199 7.516 -0.368 31 HG1 THR 5 HG1 THR 5 -18.619 8.365 1.693 32 HG21 THR 5 HG21 THR 5 -20.490 7.333 -1.217 33 HG22 THR 5 HG22 THR 5 -20.345 8.658 -0.063 34 HG23 THR 5 HG23 THR 5 -21.088 7.137 0.431 35 H LYS 6 HN LYS 6 -17.120 5.544 1.910 36 HA LYS 6 HA LYS 6 -14.987 4.601 0.114 37 HB2 LYS 6 HB2 LYS 6 -14.750 6.160 2.693 38 HB3 LYS 6 HB1 LYS 6 -13.411 5.661 1.670 39 HG2 LYS 6 HG2 LYS 6 -14.258 7.071 -0.131 40 HG3 LYS 6 HG1 LYS 6 -15.607 7.566 0.895 41 HD2 LYS 6 HD2 LYS 6 -14.051 8.548 2.491 42 HD3 LYS 6 HD1 LYS 6 -12.687 8.012 1.510 43 HE2 LYS 6 HE2 LYS 6 -13.429 9.432 -0.323 44 HE3 LYS 6 HE1 LYS 6 -14.826 9.943 0.623 45 HZ1 LYS 6 HZ1 LYS 6 -13.376 10.989 2.201 46 HZ2 LYS 6 HZ2 LYS 6 -12.995 11.558 0.657 47 HZ3 LYS 6 HZ3 LYS 6 -12.001 10.413 1.405 48 H LYS 7 HN LYS 7 -17.050 3.264 2.125 49 HA LYS 7 HA LYS 7 -15.466 2.096 4.150 50 HB2 LYS 7 HB2 LYS 7 -18.115 1.225 3.001 51 HB3 LYS 7 HB1 LYS 7 -17.378 0.518 4.433 52 HG2 LYS 7 HG2 LYS 7 -18.254 3.380 4.099 53 HG3 LYS 7 HG1 LYS 7 -19.058 2.141 5.061 54 HD2 LYS 7 HD2 LYS 7 -16.291 3.253 5.540 55 HD3 LYS 7 HD1 LYS 7 -17.738 3.634 6.471 56 HE2 LYS 7 HE2 LYS 7 -17.911 1.253 7.104 57 HE3 LYS 7 HE1 LYS 7 -16.408 0.937 6.241 58 HZ1 LYS 7 HZ1 LYS 7 -16.692 2.793 8.536 59 HZ2 LYS 7 HZ2 LYS 7 -15.251 2.410 7.735 60 HZ3 LYS 7 HZ3 LYS 7 -16.067 1.226 8.625 61 H ARG 8 HN ARG 8 -16.059 1.171 0.841 62 HA ARG 8 HA ARG 8 -14.464 -1.257 1.295 63 HB2 ARG 8 HB2 ARG 8 -16.434 -0.471 -0.812 64 HB3 ARG 8 HB1 ARG 8 -15.144 -1.579 -1.246 65 HG2 ARG 8 HG2 ARG 8 -17.111 -2.821 -0.652 66 HG3 ARG 8 HG1 ARG 8 -15.861 -3.090 0.560 67 HD2 ARG 8 HD2 ARG 8 -18.012 -2.792 1.627 68 HD3 ARG 8 HD1 ARG 8 -16.950 -1.442 2.021 69 HE ARG 8 HE ARG 8 -18.291 -0.471 -0.076 70 HH11 ARG 8 HH11 ARG 8 -19.450 -2.198 2.738 71 HH12 ARG 8 HH12 ARG 8 -20.962 -1.353 2.794 72 HH21 ARG 8 HH21 ARG 8 -20.287 0.635 -0.017 73 HH22 ARG 8 HH22 ARG 8 -21.446 0.246 1.214 74 H ALA 9 HN ALA 9 -14.416 1.893 -0.064 75 HA ALA 9 HA ALA 9 -12.224 1.520 -1.837 76 HB1 ALA 9 HB1 ALA 9 -13.117 4.067 -0.492 77 HB2 ALA 9 HB2 ALA 9 -13.793 3.424 -1.990 78 HB3 ALA 9 HB3 ALA 9 -12.103 3.929 -1.930 79 H GLN 10 HN GLN 10 -12.528 2.210 1.584 80 HA GLN 10 HA GLN 10 -9.915 3.100 2.055 81 HB2 GLN 10 HB2 GLN 10 -10.320 2.422 4.423 82 HB3 GLN 10 HB1 GLN 10 -11.549 3.470 3.743 83 HG2 GLN 10 HG2 GLN 10 -12.777 1.924 4.936 84 HG3 GLN 10 HG1 GLN 10 -12.850 1.297 3.292 85 HE21 GLN 10 HE21 GLN 10 -13.297 -0.777 4.024 86 HE22 GLN 10 HE22 GLN 10 -12.079 -1.774 4.750 87 H ARG 11 HN ARG 11 -11.186 -0.101 1.614 88 HA ARG 11 HA ARG 11 -8.917 -1.455 2.684 89 HB2 ARG 11 HB2 ARG 11 -9.918 -3.436 2.013 90 HB3 ARG 11 HB1 ARG 11 -11.313 -2.381 2.196 91 HG2 ARG 11 HG2 ARG 11 -11.400 -2.027 -0.193 92 HG3 ARG 11 HG1 ARG 11 -9.944 -3.001 -0.413 93 HD2 ARG 11 HD2 ARG 11 -11.137 -4.932 0.550 94 HD3 ARG 11 HD1 ARG 11 -12.596 -3.949 0.658 95 HE ARG 11 HE ARG 11 -11.977 -3.734 -1.939 96 HH11 ARG 11 HH11 ARG 11 -12.255 -6.509 0.183 97 HH12 ARG 11 HH12 ARG 11 -12.685 -7.601 -1.097 98 HH21 ARG 11 HH21 ARG 11 -12.556 -5.159 -3.617 99 HH22 ARG 11 HH22 ARG 11 -12.859 -6.830 -3.260 100 H ILE 12 HN ILE 12 -9.818 -0.172 -0.442 101 HA ILE 12 HA ILE 12 -7.660 -1.301 -1.918 102 HB ILE 12 HB ILE 12 -9.212 1.233 -2.508 103 HG12 ILE 12 HG12 ILE 12 -9.705 -1.601 -3.458 104 HG13 ILE 12 HG11 ILE 12 -10.672 -0.753 -2.257 105 HG21 ILE 12 HG21 ILE 12 -7.127 1.065 -3.767 106 HG22 ILE 12 HG22 ILE 12 -8.520 0.854 -4.828 107 HG23 ILE 12 HG23 ILE 12 -7.578 -0.548 -4.318 108 HD11 ILE 12 HD11 ILE 12 -10.348 0.050 -5.139 109 HD12 ILE 12 HD12 ILE 12 -11.333 0.882 -3.935 110 HD13 ILE 12 HD13 ILE 12 -11.749 -0.758 -4.435 111 H LEU 13 HN LEU 13 -8.149 1.636 -0.064 112 HA LEU 13 HA LEU 13 -5.757 2.934 -0.682 113 HB2 LEU 13 HB2 LEU 13 -7.244 2.986 1.947 114 HB3 LEU 13 HB1 LEU 13 -6.073 4.169 1.401 115 HG LEU 13 HG LEU 13 -8.782 3.660 0.165 116 HD11 LEU 13 HD11 LEU 13 -8.875 4.797 2.332 117 HD12 LEU 13 HD12 LEU 13 -9.340 5.867 1.012 118 HD13 LEU 13 HD13 LEU 13 -7.741 6.008 1.740 119 HD21 LEU 13 HD21 LEU 13 -7.177 4.313 -1.530 120 HD22 LEU 13 HD22 LEU 13 -6.652 5.674 -0.539 121 HD23 LEU 13 HD23 LEU 13 -8.288 5.642 -1.197 122 H ILE 14 HN ILE 14 -6.528 0.427 1.681 123 HA ILE 14 HA ILE 14 -3.991 0.327 2.913 124 HB ILE 14 HB ILE 14 -5.989 -1.910 2.547 125 HG12 ILE 14 HG12 ILE 14 -6.942 0.092 3.628 126 HG13 ILE 14 HG11 ILE 14 -6.823 -1.255 4.742 127 HG21 ILE 14 HG21 ILE 14 -3.727 -1.589 4.522 128 HG22 ILE 14 HG22 ILE 14 -3.798 -2.745 3.191 129 HG23 ILE 14 HG23 ILE 14 -4.926 -2.881 4.539 130 HD11 ILE 14 HD11 ILE 14 -4.973 1.109 4.595 131 HD12 ILE 14 HD12 ILE 14 -4.776 -0.265 5.683 132 HD13 ILE 14 HD13 ILE 14 -6.180 0.790 5.842 133 H PHE 15 HN PHE 15 -5.344 -1.269 0.070 134 HA PHE 15 HA PHE 15 -3.179 -2.998 -0.433 135 HB2 PHE 15 HB2 PHE 15 -5.089 -1.773 -2.436 136 HB3 PHE 15 HB1 PHE 15 -4.072 -3.180 -2.710 137 HD1 PHE 15 HD2 PHE 15 -4.692 -4.122 0.304 138 HD2 PHE 15 HD1 PHE 15 -7.028 -3.123 -3.112 139 HE1 PHE 15 HE2 PHE 15 -6.507 -5.554 1.131 140 HE2 PHE 15 HE1 PHE 15 -8.848 -4.559 -2.289 141 HZ PHE 15 HZ PHE 15 -8.589 -5.779 -0.166 142 H LEU 16 HN LEU 16 -3.899 0.276 -1.587 143 HA LEU 16 HA LEU 16 -1.519 0.531 -3.112 144 HB2 LEU 16 HB2 LEU 16 -2.241 2.643 -3.622 145 HB3 LEU 16 HB1 LEU 16 -3.754 1.895 -3.161 146 HG LEU 16 HG LEU 16 -3.283 2.936 -0.826 147 HD11 LEU 16 HD11 LEU 16 -0.964 3.597 -1.448 148 HD12 LEU 16 HD12 LEU 16 -1.957 4.921 -0.829 149 HD13 LEU 16 HD13 LEU 16 -1.654 4.778 -2.562 150 HD21 LEU 16 HD21 LEU 16 -4.477 4.921 -1.482 151 HD22 LEU 16 HD22 LEU 16 -5.089 3.555 -2.417 152 HD23 LEU 16 HD23 LEU 16 -3.984 4.711 -3.161 153 H LEU 17 HN LEU 17 -2.354 1.093 0.223 154 HA LEU 17 HA LEU 17 -0.055 2.470 1.063 155 HB2 LEU 17 HB2 LEU 17 -2.243 1.995 2.319 156 HB3 LEU 17 HB1 LEU 17 -1.557 0.430 2.698 157 HG LEU 17 HG LEU 17 -0.223 3.023 3.473 158 HD11 LEU 17 HD11 LEU 17 -2.097 1.309 5.101 159 HD12 LEU 17 HD12 LEU 17 -2.444 2.925 4.485 160 HD13 LEU 17 HD13 LEU 17 -1.180 2.695 5.694 161 HD21 LEU 17 HD21 LEU 17 1.185 1.002 3.411 162 HD22 LEU 17 HD22 LEU 17 0.077 0.218 4.541 163 HD23 LEU 17 HD23 LEU 17 0.987 1.644 5.041 164 H GLU 18 HN GLU 18 -0.793 -1.003 0.951 165 HA GLU 18 HA GLU 18 1.715 -1.921 1.832 166 HB2 GLU 18 HB2 GLU 18 -0.230 -3.287 -0.034 167 HB3 GLU 18 HB1 GLU 18 1.073 -4.071 0.849 168 HG2 GLU 18 HG2 GLU 18 -0.007 -3.417 2.962 169 HG3 GLU 18 HG1 GLU 18 -1.340 -2.728 2.035 170 H PHE 19 HN PHE 19 0.482 -1.110 -1.357 171 HA PHE 19 HA PHE 19 2.641 -1.964 -2.914 172 HB2 PHE 19 HB2 PHE 19 0.485 -1.163 -3.832 173 HB3 PHE 19 HB1 PHE 19 0.889 0.473 -3.330 174 HD1 PHE 19 HD2 PHE 19 2.667 1.717 -4.464 175 HD2 PHE 19 HD1 PHE 19 1.454 -2.143 -5.786 176 HE1 PHE 19 HE2 PHE 19 3.796 2.101 -6.611 177 HE2 PHE 19 HE1 PHE 19 2.583 -1.762 -7.936 178 HZ PHE 19 HZ PHE 19 3.754 0.361 -8.351 179 H LEU 20 HN LEU 20 2.078 1.068 -1.177 180 HA LEU 20 HA LEU 20 4.435 2.365 -2.022 181 HB2 LEU 20 HB2 LEU 20 2.824 2.781 0.489 182 HB3 LEU 20 HB1 LEU 20 4.025 3.889 -0.143 183 HG LEU 20 HG LEU 20 1.463 3.133 -1.547 184 HD11 LEU 20 HD11 LEU 20 0.751 5.408 -0.996 185 HD12 LEU 20 HD12 LEU 20 2.223 5.637 -0.056 186 HD13 LEU 20 HD13 LEU 20 1.032 4.439 0.451 187 HD21 LEU 20 HD21 LEU 20 2.030 5.013 -3.034 188 HD22 LEU 20 HD22 LEU 20 3.215 3.709 -3.118 189 HD23 LEU 20 HD23 LEU 20 3.582 5.176 -2.209 190 H LEU 21 HN LEU 21 3.862 -0.034 0.431 191 HA LEU 21 HA LEU 21 6.291 0.394 1.879 192 HB2 LEU 21 HB2 LEU 21 4.707 -2.165 1.626 193 HB3 LEU 21 HB1 LEU 21 5.871 -1.773 2.877 194 HG LEU 21 HG LEU 21 3.232 -0.380 2.459 195 HD11 LEU 21 HD11 LEU 21 2.972 -2.677 3.249 196 HD12 LEU 21 HD12 LEU 21 2.537 -1.510 4.499 197 HD13 LEU 21 HD13 LEU 21 4.088 -2.348 4.575 198 HD21 LEU 21 HD21 LEU 21 5.302 -0.102 4.637 199 HD22 LEU 21 HD22 LEU 21 3.710 0.653 4.637 200 HD23 LEU 21 HD23 LEU 21 4.897 1.105 3.417 201 H ASP 22 HN ASP 22 5.263 -1.750 -0.710 202 HA ASP 22 HA ASP 22 7.776 -3.021 -1.091 203 HB2 ASP 22 HB2 ASP 22 5.751 -4.066 -1.909 204 HB3 ASP 22 HB1 ASP 22 5.402 -2.681 -2.937 205 H PHE 23 HN PHE 23 6.209 -0.212 -2.542 206 HA PHE 23 HA PHE 23 8.218 0.316 -4.473 207 HB2 PHE 23 HB2 PHE 23 5.885 1.196 -4.566 208 HB3 PHE 23 HB1 PHE 23 6.268 2.264 -3.222 209 HD1 PHE 23 HD1 PHE 23 7.419 1.407 -6.655 210 HD2 PHE 23 HD2 PHE 23 7.031 4.398 -3.655 211 HE1 PHE 23 HE1 PHE 23 8.226 3.100 -8.244 212 HE2 PHE 23 HE2 PHE 23 7.838 6.098 -5.239 213 HZ PHE 23 HZ PHE 23 8.435 5.450 -7.538 214 H CYS 24 HN CYS 24 7.871 1.076 -1.107 215 HA CYS 24 HA CYS 24 9.722 3.165 -0.871 216 HB2 CYS 24 HB2 CYS 24 8.207 2.547 0.947 217 HB3 CYS 24 HB1 CYS 24 9.021 0.997 1.121 218 HG CYS 24 HG CYS 24 11.306 3.296 1.399 219 H THR 25 HN THR 25 10.137 -0.294 -1.139 220 HA THR 25 HA THR 25 12.985 0.152 -1.496 221 HB THR 25 HB THR 25 13.204 -0.503 0.685 222 HG1 THR 25 HG1 THR 25 14.467 -2.091 0.221 223 HG21 THR 25 HG21 THR 25 11.872 -2.337 1.762 224 HG22 THR 25 HG22 THR 25 10.857 -2.360 0.322 225 HG23 THR 25 HG23 THR 25 10.948 -0.907 1.307 226 H GLY 26 HN GLY 26 11.516 -3.056 -1.188 227 HA2 GLY 26 HA2 GLY 26 10.927 -4.621 -2.752 228 HA3 GLY 26 HA1 GLY 26 10.700 -3.296 -3.885 229 H GLU 27 HN GLU 27 13.726 -3.836 -2.269 230 HA GLU 27 HA GLU 27 14.960 -4.533 -4.823 231 HB2 GLU 27 HB2 GLU 27 17.095 -4.147 -3.613 232 HB3 GLU 27 HB1 GLU 27 16.033 -2.749 -3.603 233 HG2 GLU 27 HG2 GLU 27 15.297 -3.411 -1.319 234 HG3 GLU 27 HG1 GLU 27 16.533 -4.668 -1.349 235 H ASP 28 HN ASP 28 13.760 -5.905 -2.041 236 HA ASP 28 HA ASP 28 14.840 -8.513 -2.818 237 HB2 ASP 28 HB2 ASP 28 16.107 -7.782 -0.831 238 HB3 ASP 28 HB1 ASP 28 14.598 -7.521 0.035 239 H SER 29 HN SER 29 12.622 -7.010 -0.495 240 HA SER 29 HA SER 29 10.186 -7.478 -1.553 241 HB2 SER 29 HB2 SER 29 10.953 -9.950 -1.534 242 HB3 SER 29 HB1 SER 29 10.757 -9.859 0.213 243 HG SER 29 HG SER 29 8.886 -10.630 -1.000 244 H VAL 30 HN VAL 30 8.604 -8.213 0.518 245 HA VAL 30 HA VAL 30 9.543 -6.604 2.805 246 HB VAL 30 HB VAL 30 6.657 -6.833 1.918 247 HG11 VAL 30 HG11 VAL 30 8.007 -5.021 3.918 248 HG12 VAL 30 HG12 VAL 30 6.933 -6.372 4.288 249 HG13 VAL 30 HG13 VAL 30 6.307 -4.947 3.456 250 HG21 VAL 30 HG21 VAL 30 8.593 -4.569 1.443 251 HG22 VAL 30 HG22 VAL 30 6.861 -4.518 1.116 252 HG23 VAL 30 HG23 VAL 30 7.898 -5.624 0.213 253 H ASP 31 HN ASP 31 10.348 -8.787 3.370 254 HA ASP 31 HA ASP 31 10.301 -10.723 4.550 255 HB2 ASP 31 HB2 ASP 31 9.227 -9.290 6.273 256 HB3 ASP 31 HB1 ASP 31 7.652 -9.705 5.607 257 H GLY 32 HN GLY 32 10.084 -11.761 2.467 258 HA2 GLY 32 HA2 GLY 32 9.160 -13.579 1.331 259 HA3 GLY 32 HA1 GLY 32 7.718 -13.440 2.330 260 H LYS 33 HN LYS 33 6.470 -11.351 1.939 261 HA LYS 33 HA LYS 33 6.763 -10.155 -0.661 262 HB2 LYS 33 HB2 LYS 33 4.406 -10.619 -1.353 263 HB3 LYS 33 HB1 LYS 33 5.452 -12.027 -1.372 264 HG2 LYS 33 HG2 LYS 33 4.498 -12.653 0.858 265 HG3 LYS 33 HG1 LYS 33 3.334 -11.344 0.652 266 HD2 LYS 33 HD2 LYS 33 3.695 -13.689 -1.214 267 HD3 LYS 33 HD1 LYS 33 2.406 -13.515 -0.026 268 HE2 LYS 33 HE2 LYS 33 1.561 -11.562 -1.182 269 HE3 LYS 33 HE1 LYS 33 2.897 -11.631 -2.328 270 HZ1 LYS 33 HZ1 LYS 33 0.796 -13.705 -1.997 271 HZ2 LYS 33 HZ2 LYS 33 2.077 -13.771 -3.098 272 HZ3 LYS 33 HZ3 LYS 33 0.887 -12.584 -3.259 273 H LYS 34 HN LYS 34 4.408 -10.533 1.993 274 HA LYS 34 HA LYS 34 4.650 -7.682 2.508 275 HB2 LYS 34 HB2 LYS 34 2.062 -9.212 2.265 276 HB3 LYS 34 HB1 LYS 34 2.202 -7.597 2.922 277 HG2 LYS 34 HG2 LYS 34 3.168 -6.894 0.705 278 HG3 LYS 34 HG1 LYS 34 2.697 -8.485 0.102 279 HD2 LYS 34 HD2 LYS 34 0.855 -6.399 1.271 280 HD3 LYS 34 HD1 LYS 34 0.998 -6.826 -0.434 281 HE2 LYS 34 HE2 LYS 34 0.144 -9.029 -0.010 282 HE3 LYS 34 HE1 LYS 34 0.172 -8.754 1.731 283 HZ1 LYS 34 HZ1 LYS 34 -1.464 -6.956 1.377 284 HZ2 LYS 34 HZ2 LYS 34 -2.047 -8.487 0.952 285 HZ3 LYS 34 HZ3 LYS 34 -1.569 -7.404 -0.255 286 H ARG 35 HN ARG 35 5.073 -7.348 4.588 287 HA ARG 35 HA ARG 35 4.851 -9.530 6.477 288 HB2 ARG 35 HB2 ARG 35 6.833 -7.945 6.321 289 HB3 ARG 35 HB1 ARG 35 5.795 -6.713 7.022 290 HG2 ARG 35 HG2 ARG 35 5.472 -8.166 8.994 291 HG3 ARG 35 HG1 ARG 35 6.616 -9.313 8.296 292 HD2 ARG 35 HD2 ARG 35 7.732 -7.897 9.919 293 HD3 ARG 35 HD1 ARG 35 8.344 -7.570 8.298 294 HE ARG 35 HE ARG 35 6.318 -5.753 8.697 295 HH11 ARG 35 HH11 ARG 35 9.364 -6.519 10.249 296 HH12 ARG 35 HH12 ARG 35 9.611 -4.905 10.838 297 HH21 ARG 35 HH21 ARG 35 6.644 -3.639 9.464 298 HH22 ARG 35 HH22 ARG 35 8.063 -3.270 10.397 299 H GLN 36 HN GLN 36 2.423 -9.326 6.012 300 HA GLN 36 HA GLN 36 1.154 -7.217 7.587 301 HB2 GLN 36 HB2 GLN 36 -0.967 -8.188 6.535 302 HB3 GLN 36 HB1 GLN 36 0.154 -7.357 5.467 303 HG2 GLN 36 HG2 GLN 36 0.998 -9.442 4.637 304 HG3 GLN 36 HG1 GLN 36 0.044 -10.343 5.811 305 HE21 GLN 36 HE21 GLN 36 -1.052 -11.507 4.277 306 HE22 GLN 36 HE22 GLN 36 -2.240 -10.804 3.236 Start of MODEL 11 1 H1 THR 1 HT1 THR 1 -14.998 8.143 12.074 2 H2 THR 1 HT2 THR 1 -13.634 7.317 11.520 3 H3 THR 1 HT3 THR 1 -14.624 6.619 12.697 4 HA THR 1 HA THR 1 -16.432 6.455 11.149 5 HB THR 1 HB THR 1 -14.483 7.517 9.095 6 HG1 THR 1 HG1 THR 1 -15.792 9.379 9.118 7 HG21 THR 1 HG21 THR 1 -17.425 6.857 8.903 8 HG22 THR 1 HG22 THR 1 -16.110 5.914 8.205 9 HG23 THR 1 HG23 THR 1 -16.436 7.544 7.616 10 H TRP 2 HN TRP 2 -16.533 4.302 11.006 11 HA TRP 2 HA TRP 2 -14.179 2.753 10.260 12 HB2 TRP 2 HB2 TRP 2 -15.651 2.095 12.186 13 HB3 TRP 2 HB1 TRP 2 -16.928 1.760 11.019 14 HD1 TRP 2 HD1 TRP 2 -16.777 -0.457 9.656 15 HE1 TRP 2 HE1 TRP 2 -15.276 -2.546 9.796 16 HE3 TRP 2 HE3 TRP 2 -13.168 1.380 12.757 17 HZ2 TRP 2 HZ2 TRP 2 -12.861 -3.298 11.060 18 HZ3 TRP 2 HZ3 TRP 2 -11.292 -0.082 13.381 19 HH2 TRP 2 HH2 TRP 2 -11.142 -2.372 12.550 20 H SER 3 HN SER 3 -14.281 1.136 8.586 21 HA SER 3 HA SER 3 -15.108 2.130 6.124 22 HB2 SER 3 HB2 SER 3 -14.531 -0.753 6.845 23 HB3 SER 3 HB1 SER 3 -14.459 -0.045 5.232 24 HG SER 3 HG SER 3 -12.395 -0.228 6.312 25 H GLY 4 HN GLY 4 -17.210 2.584 5.794 26 HA2 GLY 4 HA2 GLY 4 -19.070 0.308 5.805 27 HA3 GLY 4 HA1 GLY 4 -19.539 1.812 6.585 28 H THR 5 HN THR 5 -19.083 3.796 5.042 29 HA THR 5 HA THR 5 -20.754 3.364 2.750 30 HB THR 5 HB THR 5 -20.347 5.803 2.319 31 HG1 THR 5 HG1 THR 5 -19.225 6.145 4.835 32 HG21 THR 5 HG21 THR 5 -22.241 5.053 3.675 33 HG22 THR 5 HG22 THR 5 -21.604 6.589 4.263 34 HG23 THR 5 HG23 THR 5 -21.227 5.093 5.117 35 H LYS 6 HN LYS 6 -17.460 4.650 3.139 36 HA LYS 6 HA LYS 6 -16.866 3.927 0.365 37 HB2 LYS 6 HB2 LYS 6 -15.239 5.492 2.371 38 HB3 LYS 6 HB1 LYS 6 -14.782 5.212 0.699 39 HG2 LYS 6 HG2 LYS 6 -16.866 6.420 0.026 40 HG3 LYS 6 HG1 LYS 6 -17.086 6.843 1.723 41 HD2 LYS 6 HD2 LYS 6 -14.654 7.529 0.074 42 HD3 LYS 6 HD1 LYS 6 -15.992 8.629 0.393 43 HE2 LYS 6 HE2 LYS 6 -14.392 9.238 1.971 44 HE3 LYS 6 HE1 LYS 6 -15.487 8.201 2.874 45 HZ1 LYS 6 HZ1 LYS 6 -13.103 7.764 3.279 46 HZ2 LYS 6 HZ2 LYS 6 -12.940 7.267 1.675 47 HZ3 LYS 6 HZ3 LYS 6 -13.941 6.410 2.731 48 H LYS 7 HN LYS 7 -17.219 1.803 2.159 49 HA LYS 7 HA LYS 7 -14.852 0.956 3.413 50 HB2 LYS 7 HB2 LYS 7 -15.917 -1.239 3.585 51 HB3 LYS 7 HB1 LYS 7 -17.022 0.050 4.035 52 HG2 LYS 7 HG2 LYS 7 -18.068 -0.106 1.813 53 HG3 LYS 7 HG1 LYS 7 -16.992 -1.453 1.429 54 HD2 LYS 7 HD2 LYS 7 -17.899 -2.698 3.349 55 HD3 LYS 7 HD1 LYS 7 -19.008 -1.365 3.671 56 HE2 LYS 7 HE2 LYS 7 -20.002 -1.686 1.442 57 HE3 LYS 7 HE1 LYS 7 -18.925 -3.056 1.176 58 HZ1 LYS 7 HZ1 LYS 7 -21.018 -3.878 1.895 59 HZ2 LYS 7 HZ2 LYS 7 -21.060 -2.830 3.219 60 HZ3 LYS 7 HZ3 LYS 7 -19.934 -4.088 3.176 61 H ARG 8 HN ARG 8 -15.836 0.846 0.112 62 HA ARG 8 HA ARG 8 -14.043 -1.188 -0.742 63 HB2 ARG 8 HB2 ARG 8 -15.972 -0.376 -2.095 64 HB3 ARG 8 HB1 ARG 8 -15.133 1.151 -2.325 65 HG2 ARG 8 HG2 ARG 8 -14.858 -0.205 -4.284 66 HG3 ARG 8 HG1 ARG 8 -13.304 -0.066 -3.456 67 HD2 ARG 8 HD2 ARG 8 -13.719 -2.267 -2.404 68 HD3 ARG 8 HD1 ARG 8 -15.201 -2.408 -3.346 69 HE ARG 8 HE ARG 8 -13.181 -1.942 -5.169 70 HH11 ARG 8 HH11 ARG 8 -13.973 -4.364 -2.779 71 HH12 ARG 8 HH12 ARG 8 -13.158 -5.647 -3.610 72 HH21 ARG 8 HH21 ARG 8 -12.083 -3.630 -6.273 73 HH22 ARG 8 HH22 ARG 8 -12.071 -5.226 -5.595 74 H ALA 9 HN ALA 9 -13.875 2.367 -0.892 75 HA ALA 9 HA ALA 9 -11.211 2.489 -1.791 76 HB1 ALA 9 HB1 ALA 9 -12.767 4.359 -2.013 77 HB2 ALA 9 HB2 ALA 9 -11.291 4.845 -1.179 78 HB3 ALA 9 HB3 ALA 9 -12.772 4.564 -0.261 79 H GLN 10 HN GLN 10 -12.613 2.512 1.457 80 HA GLN 10 HA GLN 10 -10.225 3.117 2.841 81 HB2 GLN 10 HB2 GLN 10 -12.707 1.661 3.759 82 HB3 GLN 10 HB1 GLN 10 -11.411 2.175 4.827 83 HG2 GLN 10 HG2 GLN 10 -13.188 3.954 3.176 84 HG3 GLN 10 HG1 GLN 10 -13.245 3.733 4.924 85 HE21 GLN 10 HE21 GLN 10 -11.561 4.579 6.191 86 HE22 GLN 10 HE22 GLN 10 -10.545 5.852 5.609 87 H ARG 11 HN ARG 11 -11.433 0.170 1.458 88 HA ARG 11 HA ARG 11 -9.567 -1.468 2.939 89 HB2 ARG 11 HB2 ARG 11 -11.429 -2.729 2.574 90 HB3 ARG 11 HB1 ARG 11 -11.811 -1.926 1.058 91 HG2 ARG 11 HG2 ARG 11 -10.357 -3.260 -0.154 92 HG3 ARG 11 HG1 ARG 11 -9.483 -3.792 1.284 93 HD2 ARG 11 HD2 ARG 11 -12.353 -4.469 0.645 94 HD3 ARG 11 HD1 ARG 11 -10.979 -5.538 0.363 95 HE ARG 11 HE ARG 11 -10.692 -5.053 2.956 96 HH11 ARG 11 HH11 ARG 11 -13.568 -5.893 1.135 97 HH12 ARG 11 HH12 ARG 11 -14.359 -6.633 2.490 98 HH21 ARG 11 HH21 ARG 11 -11.726 -6.042 4.728 99 HH22 ARG 11 HH22 ARG 11 -13.306 -6.738 4.527 100 H ILE 12 HN ILE 12 -10.015 -0.279 -0.371 101 HA ILE 12 HA ILE 12 -7.712 -1.520 -1.444 102 HB ILE 12 HB ILE 12 -9.145 0.984 -2.358 103 HG12 ILE 12 HG12 ILE 12 -9.352 -1.881 -3.311 104 HG13 ILE 12 HG11 ILE 12 -10.534 -1.063 -2.295 105 HG21 ILE 12 HG21 ILE 12 -7.165 -0.750 -3.841 106 HG22 ILE 12 HG22 ILE 12 -6.872 0.888 -3.255 107 HG23 ILE 12 HG23 ILE 12 -8.065 0.605 -4.525 108 HD11 ILE 12 HD11 ILE 12 -10.972 0.527 -4.094 109 HD12 ILE 12 HD12 ILE 12 -11.266 -1.137 -4.601 110 HD13 ILE 12 HD13 ILE 12 -9.796 -0.307 -5.111 111 H LEU 13 HN LEU 13 -8.265 1.458 0.287 112 HA LEU 13 HA LEU 13 -5.892 2.807 -0.080 113 HB2 LEU 13 HB2 LEU 13 -7.808 3.705 1.145 114 HB3 LEU 13 HB1 LEU 13 -7.551 2.544 2.430 115 HG LEU 13 HG LEU 13 -5.357 3.633 2.909 116 HD11 LEU 13 HD11 LEU 13 -5.001 5.901 1.991 117 HD12 LEU 13 HD12 LEU 13 -6.345 5.632 0.880 118 HD13 LEU 13 HD13 LEU 13 -4.894 4.635 0.770 119 HD21 LEU 13 HD21 LEU 13 -7.800 5.393 3.034 120 HD22 LEU 13 HD22 LEU 13 -6.333 5.606 3.988 121 HD23 LEU 13 HD23 LEU 13 -7.332 4.170 4.214 122 H ILE 14 HN ILE 14 -6.606 0.098 2.058 123 HA ILE 14 HA ILE 14 -4.208 0.028 3.502 124 HB ILE 14 HB ILE 14 -5.905 -2.325 2.631 125 HG12 ILE 14 HG12 ILE 14 -6.023 -0.692 5.180 126 HG13 ILE 14 HG11 ILE 14 -7.190 -0.603 3.864 127 HG21 ILE 14 HG21 ILE 14 -3.916 -2.068 4.886 128 HG22 ILE 14 HG22 ILE 14 -3.702 -3.003 3.406 129 HG23 ILE 14 HG23 ILE 14 -4.941 -3.468 4.571 130 HD11 ILE 14 HD11 ILE 14 -8.021 -1.952 5.702 131 HD12 ILE 14 HD12 ILE 14 -6.627 -3.022 5.559 132 HD13 ILE 14 HD13 ILE 14 -7.804 -2.926 4.249 133 H PHE 15 HN PHE 15 -5.145 -1.570 0.492 134 HA PHE 15 HA PHE 15 -2.666 -2.916 0.148 135 HB2 PHE 15 HB2 PHE 15 -4.900 -2.359 -1.807 136 HB3 PHE 15 HB1 PHE 15 -3.548 -3.444 -2.108 137 HD1 PHE 15 HD1 PHE 15 -3.274 -5.465 -0.634 138 HD2 PHE 15 HD2 PHE 15 -6.780 -3.064 -0.617 139 HE1 PHE 15 HE1 PHE 15 -4.519 -7.292 0.440 140 HE2 PHE 15 HE2 PHE 15 -8.029 -4.882 0.457 141 HZ PHE 15 HZ PHE 15 -6.901 -7.004 0.987 142 H LEU 16 HN LEU 16 -4.027 0.081 -1.143 143 HA LEU 16 HA LEU 16 -1.887 0.584 -2.928 144 HB2 LEU 16 HB2 LEU 16 -2.933 2.549 -3.439 145 HB3 LEU 16 HB1 LEU 16 -4.274 1.635 -2.790 146 HG LEU 16 HG LEU 16 -3.758 2.859 -0.570 147 HD11 LEU 16 HD11 LEU 16 -2.698 4.999 -0.782 148 HD12 LEU 16 HD12 LEU 16 -2.492 4.775 -2.519 149 HD13 LEU 16 HD13 LEU 16 -1.591 3.765 -1.390 150 HD21 LEU 16 HD21 LEU 16 -5.745 3.179 -1.991 151 HD22 LEU 16 HD22 LEU 16 -4.853 4.368 -2.938 152 HD23 LEU 16 HD23 LEU 16 -5.209 4.682 -1.241 153 H LEU 17 HN LEU 17 -2.411 1.227 0.464 154 HA LEU 17 HA LEU 17 -0.130 2.857 0.884 155 HB2 LEU 17 HB2 LEU 17 -2.160 2.295 2.436 156 HB3 LEU 17 HB1 LEU 17 -1.192 0.922 2.926 157 HG LEU 17 HG LEU 17 -0.240 3.780 3.159 158 HD11 LEU 17 HD11 LEU 17 -1.533 2.034 5.250 159 HD12 LEU 17 HD12 LEU 17 -2.258 3.454 4.497 160 HD13 LEU 17 HD13 LEU 17 -0.832 3.629 5.518 161 HD21 LEU 17 HD21 LEU 17 1.534 2.096 3.150 162 HD22 LEU 17 HD22 LEU 17 0.714 1.221 4.445 163 HD23 LEU 17 HD23 LEU 17 1.361 2.835 4.742 164 H GLU 18 HN GLU 18 -0.687 -0.644 1.046 165 HA GLU 18 HA GLU 18 1.930 -1.390 1.762 166 HB2 GLU 18 HB2 GLU 18 -0.077 -2.945 0.124 167 HB3 GLU 18 HB1 GLU 18 1.360 -3.615 0.881 168 HG2 GLU 18 HG2 GLU 18 0.407 -2.868 3.084 169 HG3 GLU 18 HG1 GLU 18 -1.087 -2.509 2.219 170 H PHE 19 HN PHE 19 0.473 -0.592 -1.319 171 HA PHE 19 HA PHE 19 2.425 -1.552 -3.061 172 HB2 PHE 19 HB2 PHE 19 0.287 -0.605 -3.831 173 HB3 PHE 19 HB1 PHE 19 0.801 0.993 -3.308 174 HD1 PHE 19 HD2 PHE 19 1.340 -1.681 -5.762 175 HD2 PHE 19 HD1 PHE 19 2.324 2.297 -4.614 176 HE1 PHE 19 HE2 PHE 19 2.369 -1.301 -7.964 177 HE2 PHE 19 HE1 PHE 19 3.354 2.682 -6.811 178 HZ PHE 19 HZ PHE 19 3.381 0.879 -8.487 179 H LEU 20 HN LEU 20 2.228 1.553 -1.365 180 HA LEU 20 HA LEU 20 4.624 2.606 -2.415 181 HB2 LEU 20 HB2 LEU 20 2.919 3.262 -0.048 182 HB3 LEU 20 HB1 LEU 20 4.499 4.005 -0.198 183 HG LEU 20 HG LEU 20 2.858 5.524 -1.054 184 HD11 LEU 20 HD11 LEU 20 3.688 5.924 -3.274 185 HD12 LEU 20 HD12 LEU 20 4.257 4.261 -3.402 186 HD13 LEU 20 HD13 LEU 20 5.014 5.366 -2.253 187 HD21 LEU 20 HD21 LEU 20 1.412 4.956 -2.959 188 HD22 LEU 20 HD22 LEU 20 1.058 3.983 -1.531 189 HD23 LEU 20 HD23 LEU 20 1.974 3.287 -2.866 190 H LEU 21 HN LEU 21 3.959 0.520 0.320 191 HA LEU 21 HA LEU 21 6.589 0.756 1.456 192 HB2 LEU 21 HB2 LEU 21 4.595 -1.476 1.864 193 HB3 LEU 21 HB1 LEU 21 5.922 -1.036 2.922 194 HG LEU 21 HG LEU 21 3.496 0.666 2.379 195 HD11 LEU 21 HD11 LEU 21 4.237 -0.992 4.785 196 HD12 LEU 21 HD12 LEU 21 2.929 -1.323 3.651 197 HD13 LEU 21 HD13 LEU 21 2.862 0.107 4.680 198 HD21 LEU 21 HD21 LEU 21 5.476 1.991 2.896 199 HD22 LEU 21 HD22 LEU 21 5.765 1.018 4.339 200 HD23 LEU 21 HD23 LEU 21 4.327 2.033 4.232 201 H ASP 22 HN ASP 22 4.941 -1.470 -0.694 202 HA ASP 22 HA ASP 22 7.075 -3.353 -0.871 203 HB2 ASP 22 HB2 ASP 22 4.846 -4.078 -1.395 204 HB3 ASP 22 HB1 ASP 22 4.676 -2.839 -2.633 205 H PHE 23 HN PHE 23 6.027 -0.646 -2.901 206 HA PHE 23 HA PHE 23 7.988 -1.018 -4.911 207 HB2 PHE 23 HB2 PHE 23 5.877 0.346 -5.128 208 HB3 PHE 23 HB1 PHE 23 6.648 1.582 -4.140 209 HD1 PHE 23 HD2 PHE 23 6.871 -0.249 -7.336 210 HD2 PHE 23 HD1 PHE 23 8.162 3.121 -5.084 211 HE1 PHE 23 HE2 PHE 23 7.893 0.706 -9.360 212 HE2 PHE 23 HE1 PHE 23 9.184 4.083 -7.103 213 HZ PHE 23 HZ PHE 23 9.051 2.876 -9.245 214 H CYS 24 HN CYS 24 7.825 1.105 -2.084 215 HA CYS 24 HA CYS 24 10.658 1.769 -2.361 216 HB2 CYS 24 HB2 CYS 24 8.588 2.709 -0.379 217 HB3 CYS 24 HB1 CYS 24 10.221 3.342 -0.520 218 HG CYS 24 HG CYS 24 9.067 5.339 -1.768 219 H THR 25 HN THR 25 10.323 -0.844 -1.903 220 HA THR 25 HA THR 25 10.082 -1.614 0.810 221 HB THR 25 HB THR 25 9.658 -3.084 -1.192 222 HG1 THR 25 HG1 THR 25 9.937 -4.772 0.077 223 HG21 THR 25 HG21 THR 25 12.668 -3.311 -1.192 224 HG22 THR 25 HG22 THR 25 11.676 -2.603 -2.466 225 HG23 THR 25 HG23 THR 25 11.564 -4.328 -2.117 226 H GLY 26 HN GLY 26 12.691 -0.405 -1.051 227 HA2 GLY 26 HA2 GLY 26 14.523 0.559 0.220 228 HA3 GLY 26 HA1 GLY 26 14.471 -0.861 1.253 229 H GLU 27 HN GLU 27 16.195 0.585 -1.101 230 HA GLU 27 HA GLU 27 16.924 -1.662 -2.712 231 HB2 GLU 27 HB2 GLU 27 18.378 0.948 -2.235 232 HB3 GLU 27 HB1 GLU 27 18.763 -0.215 -3.496 233 HG2 GLU 27 HG2 GLU 27 16.551 0.141 -4.485 234 HG3 GLU 27 HG1 GLU 27 16.196 1.331 -3.234 235 H ASP 28 HN ASP 28 17.820 -0.429 0.357 236 HA ASP 28 HA ASP 28 20.308 -1.825 0.620 237 HB2 ASP 28 HB2 ASP 28 20.110 -1.228 3.012 238 HB3 ASP 28 HB1 ASP 28 19.851 0.162 1.961 239 H SER 29 HN SER 29 17.065 -2.723 0.706 240 HA SER 29 HA SER 29 17.510 -5.060 2.392 241 HB2 SER 29 HB2 SER 29 14.983 -4.148 0.991 242 HB3 SER 29 HB1 SER 29 15.106 -5.372 2.257 243 HG SER 29 HG SER 29 16.250 -3.134 3.140 244 H VAL 30 HN VAL 30 16.010 -6.991 1.275 245 HA VAL 30 HA VAL 30 16.778 -7.230 -1.523 246 HB VAL 30 HB VAL 30 18.648 -8.262 -0.437 247 HG11 VAL 30 HG11 VAL 30 16.667 -9.939 1.091 248 HG12 VAL 30 HG12 VAL 30 17.734 -8.699 1.749 249 HG13 VAL 30 HG13 VAL 30 18.414 -10.183 1.083 250 HG21 VAL 30 HG21 VAL 30 16.787 -10.392 -1.475 251 HG22 VAL 30 HG22 VAL 30 18.540 -10.526 -1.339 252 HG23 VAL 30 HG23 VAL 30 17.829 -9.357 -2.451 253 H ASP 31 HN ASP 31 14.565 -6.925 -1.848 254 HA ASP 31 HA ASP 31 12.513 -8.554 -0.865 255 HB2 ASP 31 HB2 ASP 31 11.997 -6.506 -2.038 256 HB3 ASP 31 HB1 ASP 31 12.759 -7.106 -3.508 257 H GLY 32 HN GLY 32 12.432 -10.687 -0.974 258 HA2 GLY 32 HA2 GLY 32 12.313 -12.089 -3.420 259 HA3 GLY 32 HA1 GLY 32 13.899 -12.317 -2.694 260 H LYS 33 HN LYS 33 10.603 -13.173 -2.635 261 HA LYS 33 HA LYS 33 9.370 -14.672 -1.491 262 HB2 LYS 33 HB2 LYS 33 12.109 -15.795 -0.919 263 HB3 LYS 33 HB1 LYS 33 10.627 -16.589 -0.404 264 HG2 LYS 33 HG2 LYS 33 11.349 -15.937 -3.255 265 HG3 LYS 33 HG1 LYS 33 11.511 -17.520 -2.493 266 HD2 LYS 33 HD2 LYS 33 9.098 -17.587 -2.105 267 HD3 LYS 33 HD1 LYS 33 8.931 -15.994 -2.842 268 HE2 LYS 33 HE2 LYS 33 9.765 -16.883 -4.958 269 HE3 LYS 33 HE1 LYS 33 9.942 -18.474 -4.220 270 HZ1 LYS 33 HZ1 LYS 33 7.374 -17.008 -4.488 271 HZ2 LYS 33 HZ2 LYS 33 7.577 -18.577 -3.888 272 HZ3 LYS 33 HZ3 LYS 33 7.892 -18.248 -5.516 273 H LYS 34 HN LYS 34 9.059 -12.594 -0.206 274 HA LYS 34 HA LYS 34 10.010 -12.682 2.513 275 HB2 LYS 34 HB2 LYS 34 7.782 -11.014 1.334 276 HB3 LYS 34 HB1 LYS 34 8.600 -10.738 2.864 277 HG2 LYS 34 HG2 LYS 34 10.694 -10.314 1.635 278 HG3 LYS 34 HG1 LYS 34 9.816 -10.508 0.120 279 HD2 LYS 34 HD2 LYS 34 9.310 -8.418 2.234 280 HD3 LYS 34 HD1 LYS 34 10.057 -8.154 0.660 281 HE2 LYS 34 HE2 LYS 34 7.226 -9.082 1.142 282 HE3 LYS 34 HE1 LYS 34 7.710 -7.451 0.688 283 HZ1 LYS 34 HZ1 LYS 34 8.644 -8.390 -1.376 284 HZ2 LYS 34 HZ2 LYS 34 6.972 -8.624 -1.244 285 HZ3 LYS 34 HZ3 LYS 34 8.029 -9.909 -0.946 286 H ARG 35 HN ARG 35 7.067 -13.395 0.733 287 HA ARG 35 HA ARG 35 5.775 -14.391 3.152 288 HB2 ARG 35 HB2 ARG 35 4.584 -12.898 1.471 289 HB3 ARG 35 HB1 ARG 35 4.625 -14.262 0.364 290 HG2 ARG 35 HG2 ARG 35 2.476 -14.092 1.486 291 HG3 ARG 35 HG1 ARG 35 3.307 -15.586 1.928 292 HD2 ARG 35 HD2 ARG 35 3.963 -14.677 4.037 293 HD3 ARG 35 HD1 ARG 35 3.400 -13.072 3.582 294 HE ARG 35 HE ARG 35 1.212 -14.766 3.431 295 HH11 ARG 35 HH11 ARG 35 3.444 -13.625 5.862 296 HH12 ARG 35 HH12 ARG 35 2.292 -13.717 7.154 297 HH21 ARG 35 HH21 ARG 35 -0.330 -14.863 5.118 298 HH22 ARG 35 HH22 ARG 35 0.135 -14.415 6.729 299 H GLN 36 HN GLN 36 6.668 -16.336 3.606 300 HA GLN 36 HA GLN 36 6.900 -18.309 1.445 301 HB2 GLN 36 HB2 GLN 36 8.092 -18.336 4.227 302 HB3 GLN 36 HB1 GLN 36 8.378 -19.538 2.975 303 HG2 GLN 36 HG2 GLN 36 9.471 -17.883 1.589 304 HG3 GLN 36 HG1 GLN 36 9.118 -16.627 2.775 305 HE21 GLN 36 HE21 GLN 36 11.273 -16.129 3.073 306 HE22 GLN 36 HE22 GLN 36 12.357 -17.173 3.924 Start of MODEL 12 1 H1 THR 1 HT1 THR 1 -22.380 3.213 -8.527 2 H2 THR 1 HT2 THR 1 -20.813 3.779 -8.807 3 H3 THR 1 HT3 THR 1 -21.682 4.321 -7.462 4 HA THR 1 HA THR 1 -20.755 1.553 -7.930 5 HB THR 1 HB THR 1 -19.851 3.510 -5.809 6 HG1 THR 1 HG1 THR 1 -18.443 2.757 -8.180 7 HG21 THR 1 HG21 THR 1 -18.705 0.877 -6.758 8 HG22 THR 1 HG22 THR 1 -19.568 1.143 -5.244 9 HG23 THR 1 HG23 THR 1 -18.006 1.917 -5.515 10 H TRP 2 HN TRP 2 -21.810 0.059 -6.784 11 HA TRP 2 HA TRP 2 -23.746 0.971 -4.764 12 HB2 TRP 2 HB2 TRP 2 -24.565 -0.253 -6.831 13 HB3 TRP 2 HB1 TRP 2 -23.731 -1.677 -6.219 14 HD1 TRP 2 HD1 TRP 2 -24.802 -2.916 -4.118 15 HE1 TRP 2 HE1 TRP 2 -27.153 -2.825 -3.066 16 HE3 TRP 2 HE3 TRP 2 -26.508 1.348 -6.345 17 HZ2 TRP 2 HZ2 TRP 2 -29.422 -1.150 -3.166 18 HZ3 TRP 2 HZ3 TRP 2 -28.778 2.133 -5.812 19 HH2 TRP 2 HH2 TRP 2 -30.202 0.908 -4.256 20 H SER 3 HN SER 3 -23.703 0.136 -2.728 21 HA SER 3 HA SER 3 -22.857 -0.792 -0.844 22 HB2 SER 3 HB2 SER 3 -23.574 -2.885 -1.930 23 HB3 SER 3 HB1 SER 3 -22.014 -3.006 -2.737 24 HG SER 3 HG SER 3 -21.093 -3.022 -0.559 25 H GLY 4 HN GLY 4 -21.254 1.127 -2.117 26 HA2 GLY 4 HA2 GLY 4 -18.700 0.483 -0.941 27 HA3 GLY 4 HA1 GLY 4 -18.656 0.620 -2.692 28 H THR 5 HN THR 5 -19.989 2.411 0.089 29 HA THR 5 HA THR 5 -19.789 4.940 -1.191 30 HB THR 5 HB THR 5 -20.060 5.828 1.183 31 HG1 THR 5 HG1 THR 5 -20.848 3.299 2.030 32 HG21 THR 5 HG21 THR 5 -22.088 3.830 0.172 33 HG22 THR 5 HG22 THR 5 -21.967 5.518 -0.316 34 HG23 THR 5 HG23 THR 5 -22.403 5.110 1.342 35 H LYS 6 HN LYS 6 -18.135 4.103 1.824 36 HA LYS 6 HA LYS 6 -15.630 5.159 0.677 37 HB2 LYS 6 HB2 LYS 6 -16.516 5.335 3.562 38 HB3 LYS 6 HB1 LYS 6 -15.073 6.051 2.861 39 HG2 LYS 6 HG2 LYS 6 -16.419 7.549 1.523 40 HG3 LYS 6 HG1 LYS 6 -17.895 6.782 2.108 41 HD2 LYS 6 HD2 LYS 6 -17.496 8.873 3.280 42 HD3 LYS 6 HD1 LYS 6 -17.355 7.508 4.389 43 HE2 LYS 6 HE2 LYS 6 -14.951 7.618 4.289 44 HE3 LYS 6 HE1 LYS 6 -15.023 8.870 3.052 45 HZ1 LYS 6 HZ1 LYS 6 -16.055 9.162 5.817 46 HZ2 LYS 6 HZ2 LYS 6 -16.009 10.367 4.632 47 HZ3 LYS 6 HZ3 LYS 6 -14.571 9.756 5.272 48 H LYS 7 HN LYS 7 -17.194 2.496 1.918 49 HA LYS 7 HA LYS 7 -15.194 1.321 3.541 50 HB2 LYS 7 HB2 LYS 7 -17.433 -0.016 2.013 51 HB3 LYS 7 HB1 LYS 7 -16.500 -0.742 3.313 52 HG2 LYS 7 HG2 LYS 7 -17.378 0.902 4.878 53 HG3 LYS 7 HG1 LYS 7 -18.293 1.663 3.576 54 HD2 LYS 7 HD2 LYS 7 -19.761 0.227 4.835 55 HD3 LYS 7 HD1 LYS 7 -19.504 -0.473 3.238 56 HE2 LYS 7 HE2 LYS 7 -17.810 -1.981 4.197 57 HE3 LYS 7 HE1 LYS 7 -18.128 -1.301 5.792 58 HZ1 LYS 7 HZ1 LYS 7 -20.411 -2.085 5.618 59 HZ2 LYS 7 HZ2 LYS 7 -19.319 -3.366 5.473 60 HZ3 LYS 7 HZ3 LYS 7 -20.086 -2.750 4.097 61 H ARG 8 HN ARG 8 -15.904 1.160 0.102 62 HA ARG 8 HA ARG 8 -14.075 -0.986 -0.408 63 HB2 ARG 8 HB2 ARG 8 -16.136 -0.366 -1.788 64 HB3 ARG 8 HB1 ARG 8 -15.204 0.980 -2.413 65 HG2 ARG 8 HG2 ARG 8 -14.286 -1.866 -2.675 66 HG3 ARG 8 HG1 ARG 8 -15.347 -1.097 -3.853 67 HD2 ARG 8 HD2 ARG 8 -12.564 -0.232 -3.086 68 HD3 ARG 8 HD1 ARG 8 -13.057 -0.973 -4.609 69 HE ARG 8 HE ARG 8 -14.564 1.176 -4.677 70 HH11 ARG 8 HH11 ARG 8 -11.245 0.915 -3.619 71 HH12 ARG 8 HH12 ARG 8 -10.825 2.531 -4.081 72 HH21 ARG 8 HH21 ARG 8 -14.021 3.311 -5.299 73 HH22 ARG 8 HH22 ARG 8 -12.411 3.900 -5.029 74 H ALA 9 HN ALA 9 -13.965 2.501 -0.378 75 HA ALA 9 HA ALA 9 -11.480 2.782 -1.722 76 HB1 ALA 9 HB1 ALA 9 -13.086 4.621 -1.510 77 HB2 ALA 9 HB2 ALA 9 -11.499 5.064 -0.883 78 HB3 ALA 9 HB3 ALA 9 -12.805 4.661 0.230 79 H GLN 10 HN GLN 10 -12.382 2.743 1.726 80 HA GLN 10 HA GLN 10 -9.743 3.101 2.663 81 HB2 GLN 10 HB2 GLN 10 -10.627 2.394 4.860 82 HB3 GLN 10 HB1 GLN 10 -11.605 3.633 4.096 83 HG2 GLN 10 HG2 GLN 10 -13.312 2.327 4.690 84 HG3 GLN 10 HG1 GLN 10 -12.876 1.402 3.257 85 HE21 GLN 10 HE21 GLN 10 -14.180 0.566 5.729 86 HE22 GLN 10 HE22 GLN 10 -13.209 -0.708 6.379 87 H ARG 11 HN ARG 11 -11.550 0.238 1.769 88 HA ARG 11 HA ARG 11 -9.728 -1.590 2.974 89 HB2 ARG 11 HB2 ARG 11 -10.931 -3.333 1.914 90 HB3 ARG 11 HB1 ARG 11 -12.121 -2.116 2.344 91 HG2 ARG 11 HG2 ARG 11 -12.168 -1.330 0.050 92 HG3 ARG 11 HG1 ARG 11 -10.944 -2.522 -0.391 93 HD2 ARG 11 HD2 ARG 11 -13.628 -3.215 0.788 94 HD3 ARG 11 HD1 ARG 11 -13.288 -3.188 -0.941 95 HE ARG 11 HE ARG 11 -11.679 -4.977 -0.558 96 HH11 ARG 11 HH11 ARG 11 -13.988 -4.368 2.010 97 HH12 ARG 11 HH12 ARG 11 -13.893 -5.976 2.640 98 HH21 ARG 11 HH21 ARG 11 -11.554 -7.090 0.283 99 HH22 ARG 11 HH22 ARG 11 -12.509 -7.523 1.667 100 H ILE 12 HN ILE 12 -9.950 -0.054 -0.177 101 HA ILE 12 HA ILE 12 -7.814 -1.636 -1.293 102 HB ILE 12 HB ILE 12 -9.150 0.881 -2.299 103 HG12 ILE 12 HG12 ILE 12 -10.628 -1.053 -2.272 104 HG13 ILE 12 HG11 ILE 12 -10.195 -0.655 -3.930 105 HG21 ILE 12 HG21 ILE 12 -8.059 0.427 -4.446 106 HG22 ILE 12 HG22 ILE 12 -7.164 -0.901 -3.706 107 HG23 ILE 12 HG23 ILE 12 -6.885 0.757 -3.172 108 HD11 ILE 12 HD11 ILE 12 -9.087 -2.897 -2.262 109 HD12 ILE 12 HD12 ILE 12 -8.502 -2.459 -3.865 110 HD13 ILE 12 HD13 ILE 12 -10.157 -3.028 -3.657 111 H LEU 13 HN LEU 13 -8.182 1.425 0.336 112 HA LEU 13 HA LEU 13 -5.751 2.638 -0.090 113 HB2 LEU 13 HB2 LEU 13 -7.676 3.537 1.234 114 HB3 LEU 13 HB1 LEU 13 -7.244 2.461 2.539 115 HG LEU 13 HG LEU 13 -6.575 4.871 2.831 116 HD11 LEU 13 HD11 LEU 13 -5.550 3.133 4.173 117 HD12 LEU 13 HD12 LEU 13 -4.369 4.376 3.759 118 HD13 LEU 13 HD13 LEU 13 -4.361 2.832 2.907 119 HD21 LEU 13 HD21 LEU 13 -4.588 5.668 1.686 120 HD22 LEU 13 HD22 LEU 13 -5.874 5.309 0.537 121 HD23 LEU 13 HD23 LEU 13 -4.528 4.186 0.732 122 H ILE 14 HN ILE 14 -6.570 0.023 2.135 123 HA ILE 14 HA ILE 14 -4.152 -0.254 3.478 124 HB ILE 14 HB ILE 14 -6.028 -2.470 2.624 125 HG12 ILE 14 HG12 ILE 14 -5.965 -0.841 5.177 126 HG13 ILE 14 HG11 ILE 14 -7.147 -0.657 3.885 127 HG21 ILE 14 HG21 ILE 14 -3.990 -2.379 4.847 128 HG22 ILE 14 HG22 ILE 14 -3.856 -3.308 3.354 129 HG23 ILE 14 HG23 ILE 14 -5.112 -3.702 4.529 130 HD11 ILE 14 HD11 ILE 14 -7.942 -2.923 4.287 131 HD12 ILE 14 HD12 ILE 14 -8.047 -1.933 5.742 132 HD13 ILE 14 HD13 ILE 14 -6.749 -3.114 5.572 133 H PHE 15 HN PHE 15 -5.207 -1.708 0.422 134 HA PHE 15 HA PHE 15 -2.790 -3.194 0.067 135 HB2 PHE 15 HB2 PHE 15 -5.050 -2.572 -1.836 136 HB3 PHE 15 HB1 PHE 15 -3.722 -3.669 -2.193 137 HD1 PHE 15 HD2 PHE 15 -3.449 -5.742 -0.804 138 HD2 PHE 15 HD1 PHE 15 -6.888 -3.253 -0.565 139 HE1 PHE 15 HE2 PHE 15 -4.691 -7.566 0.284 140 HE2 PHE 15 HE1 PHE 15 -8.133 -5.063 0.525 141 HZ PHE 15 HZ PHE 15 -7.037 -7.225 0.951 142 H LEU 16 HN LEU 16 -4.054 -0.145 -1.173 143 HA LEU 16 HA LEU 16 -1.911 0.287 -2.986 144 HB2 LEU 16 HB2 LEU 16 -2.902 2.283 -3.504 145 HB3 LEU 16 HB1 LEU 16 -4.267 1.400 -2.865 146 HG LEU 16 HG LEU 16 -3.764 2.616 -0.647 147 HD11 LEU 16 HD11 LEU 16 -2.618 4.706 -0.815 148 HD12 LEU 16 HD12 LEU 16 -2.411 4.512 -2.557 149 HD13 LEU 16 HD13 LEU 16 -1.546 3.449 -1.445 150 HD21 LEU 16 HD21 LEU 16 -5.125 4.503 -1.370 151 HD22 LEU 16 HD22 LEU 16 -5.714 3.005 -2.089 152 HD23 LEU 16 HD23 LEU 16 -4.767 4.134 -3.056 153 H LEU 17 HN LEU 17 -2.393 0.914 0.411 154 HA LEU 17 HA LEU 17 -0.076 2.456 0.875 155 HB2 LEU 17 HB2 LEU 17 -1.816 2.273 2.536 156 HB3 LEU 17 HB1 LEU 17 -1.603 0.535 2.627 157 HG LEU 17 HG LEU 17 0.622 0.856 3.602 158 HD11 LEU 17 HD11 LEU 17 1.212 2.969 2.594 159 HD12 LEU 17 HD12 LEU 17 1.306 3.088 4.351 160 HD13 LEU 17 HD13 LEU 17 -0.069 3.785 3.493 161 HD21 LEU 17 HD21 LEU 17 -0.134 1.732 5.771 162 HD22 LEU 17 HD22 LEU 17 -1.280 0.591 5.068 163 HD23 LEU 17 HD23 LEU 17 -1.606 2.323 4.999 164 H GLU 18 HN GLU 18 -0.674 -1.025 1.056 165 HA GLU 18 HA GLU 18 1.862 -1.957 1.631 166 HB2 GLU 18 HB2 GLU 18 -0.192 -3.157 -0.237 167 HB3 GLU 18 HB1 GLU 18 1.195 -4.015 0.417 168 HG2 GLU 18 HG2 GLU 18 -0.931 -2.768 2.134 169 HG3 GLU 18 HG1 GLU 18 -0.992 -4.436 1.564 170 H PHE 19 HN PHE 19 0.518 -0.882 -1.435 171 HA PHE 19 HA PHE 19 2.641 -1.592 -3.125 172 HB2 PHE 19 HB2 PHE 19 0.494 -0.843 -4.013 173 HB3 PHE 19 HB1 PHE 19 0.743 0.756 -3.323 174 HD1 PHE 19 HD1 PHE 19 1.834 -1.594 -5.917 175 HD2 PHE 19 HD2 PHE 19 2.165 2.359 -4.386 176 HE1 PHE 19 HE1 PHE 19 2.970 -0.894 -7.980 177 HE2 PHE 19 HE2 PHE 19 3.300 3.068 -6.448 178 HZ PHE 19 HZ PHE 19 3.703 1.438 -8.246 179 H LEU 20 HN LEU 20 2.011 1.454 -1.379 180 HA LEU 20 HA LEU 20 4.307 2.810 -2.217 181 HB2 LEU 20 HB2 LEU 20 2.498 3.074 0.136 182 HB3 LEU 20 HB1 LEU 20 4.027 3.927 0.170 183 HG LEU 20 HG LEU 20 2.395 5.464 -0.600 184 HD11 LEU 20 HD11 LEU 20 3.816 4.478 -3.063 185 HD12 LEU 20 HD12 LEU 20 4.564 5.457 -1.803 186 HD13 LEU 20 HD13 LEU 20 3.226 6.108 -2.749 187 HD21 LEU 20 HD21 LEU 20 0.656 3.891 -1.228 188 HD22 LEU 20 HD22 LEU 20 1.586 3.412 -2.648 189 HD23 LEU 20 HD23 LEU 20 0.953 5.053 -2.521 190 H LEU 21 HN LEU 21 3.800 0.676 0.555 191 HA LEU 21 HA LEU 21 6.362 0.985 1.692 192 HB2 LEU 21 HB2 LEU 21 4.640 -1.490 1.789 193 HB3 LEU 21 HB1 LEU 21 5.882 -1.023 2.935 194 HG LEU 21 HG LEU 21 3.275 0.421 2.486 195 HD11 LEU 21 HD11 LEU 21 4.201 -1.302 4.778 196 HD12 LEU 21 HD12 LEU 21 2.979 -1.734 3.583 197 HD13 LEU 21 HD13 LEU 21 2.685 -0.406 4.704 198 HD21 LEU 21 HD21 LEU 21 5.050 1.951 3.145 199 HD22 LEU 21 HD22 LEU 21 5.468 0.903 4.500 200 HD23 LEU 21 HD23 LEU 21 3.908 1.721 4.466 201 H ASP 22 HN ASP 22 5.070 -1.337 -0.638 202 HA ASP 22 HA ASP 22 7.461 -2.855 -0.868 203 HB2 ASP 22 HB2 ASP 22 5.227 -3.729 -1.480 204 HB3 ASP 22 HB1 ASP 22 5.187 -2.622 -2.847 205 H PHE 23 HN PHE 23 6.147 -0.130 -2.665 206 HA PHE 23 HA PHE 23 8.149 -0.090 -4.678 207 HB2 PHE 23 HB2 PHE 23 5.963 1.052 -4.907 208 HB3 PHE 23 HB1 PHE 23 6.431 2.180 -3.639 209 HD1 PHE 23 HD1 PHE 23 7.127 1.088 -7.085 210 HD2 PHE 23 HD2 PHE 23 7.833 4.041 -4.103 211 HE1 PHE 23 HE1 PHE 23 8.132 2.557 -8.784 212 HE2 PHE 23 HE2 PHE 23 8.839 5.515 -5.796 213 HZ PHE 23 HZ PHE 23 8.989 4.773 -8.140 214 H CYS 24 HN CYS 24 7.857 1.365 -1.494 215 HA CYS 24 HA CYS 24 10.416 2.728 -1.809 216 HB2 CYS 24 HB2 CYS 24 8.463 2.761 0.492 217 HB3 CYS 24 HB1 CYS 24 9.894 3.774 0.339 218 HG CYS 24 HG CYS 24 6.907 4.031 -1.210 219 H THR 25 HN THR 25 10.405 -0.128 -1.752 220 HA THR 25 HA THR 25 11.218 -1.163 0.728 221 HB THR 25 HB THR 25 12.615 -2.719 -0.953 222 HG1 THR 25 HG1 THR 25 10.545 -2.245 -2.708 223 HG21 THR 25 HG21 THR 25 10.575 -4.095 -1.199 224 HG22 THR 25 HG22 THR 25 9.613 -2.734 -0.622 225 HG23 THR 25 HG23 THR 25 10.791 -3.496 0.446 226 H GLY 26 HN GLY 26 12.935 0.547 -1.802 227 HA2 GLY 26 HA2 GLY 26 15.235 0.784 0.034 228 HA3 GLY 26 HA1 GLY 26 15.384 0.835 -1.720 229 H GLU 27 HN GLU 27 15.998 2.823 0.496 230 HA GLU 27 HA GLU 27 14.161 4.963 0.260 231 HB2 GLU 27 HB2 GLU 27 17.037 4.849 1.150 232 HB3 GLU 27 HB1 GLU 27 16.097 6.335 1.164 233 HG2 GLU 27 HG2 GLU 27 15.383 3.817 2.649 234 HG3 GLU 27 HG1 GLU 27 16.152 5.240 3.353 235 H ASP 28 HN ASP 28 17.165 4.190 -1.405 236 HA ASP 28 HA ASP 28 16.334 6.072 -3.516 237 HB2 ASP 28 HB2 ASP 28 18.450 6.780 -2.429 238 HB3 ASP 28 HB1 ASP 28 19.163 5.223 -2.843 239 H SER 29 HN SER 29 18.173 3.131 -2.856 240 HA SER 29 HA SER 29 16.860 1.791 -5.077 241 HB2 SER 29 HB2 SER 29 19.878 1.846 -4.803 242 HB3 SER 29 HB1 SER 29 18.956 0.989 -6.032 243 HG SER 29 HG SER 29 18.780 3.798 -5.703 244 H VAL 30 HN VAL 30 17.162 -0.559 -4.941 245 HA VAL 30 HA VAL 30 17.610 -1.455 -2.195 246 HB VAL 30 HB VAL 30 16.512 -3.042 -4.533 247 HG11 VAL 30 HG11 VAL 30 15.735 -4.603 -2.800 248 HG12 VAL 30 HG12 VAL 30 16.539 -3.626 -1.573 249 HG13 VAL 30 HG13 VAL 30 17.492 -4.449 -2.807 250 HG21 VAL 30 HG21 VAL 30 15.028 -1.187 -3.976 251 HG22 VAL 30 HG22 VAL 30 15.030 -1.683 -2.285 252 HG23 VAL 30 HG23 VAL 30 14.313 -2.729 -3.509 253 H ASP 31 HN ASP 31 19.837 -0.840 -2.666 254 HA ASP 31 HA ASP 31 22.014 -1.501 -2.724 255 HB2 ASP 31 HB2 ASP 31 21.396 -3.798 -2.163 256 HB3 ASP 31 HB1 ASP 31 20.993 -4.121 -3.847 257 H GLY 32 HN GLY 32 19.939 -1.880 -5.477 258 HA2 GLY 32 HA2 GLY 32 20.328 -0.656 -7.482 259 HA3 GLY 32 HA1 GLY 32 22.053 -0.722 -7.150 260 H LYS 33 HN LYS 33 22.564 -3.289 -6.703 261 HA LYS 33 HA LYS 33 23.044 -5.266 -7.685 262 HB2 LYS 33 HB2 LYS 33 20.317 -4.942 -8.945 263 HB3 LYS 33 HB1 LYS 33 21.248 -6.432 -8.895 264 HG2 LYS 33 HG2 LYS 33 20.193 -4.941 -6.501 265 HG3 LYS 33 HG1 LYS 33 19.492 -6.400 -7.201 266 HD2 LYS 33 HD2 LYS 33 21.582 -7.611 -6.714 267 HD3 LYS 33 HD1 LYS 33 22.242 -6.148 -5.979 268 HE2 LYS 33 HE2 LYS 33 20.443 -6.171 -4.320 269 HE3 LYS 33 HE1 LYS 33 19.783 -7.630 -5.056 270 HZ1 LYS 33 HZ1 LYS 33 21.122 -8.122 -3.101 271 HZ2 LYS 33 HZ2 LYS 33 22.472 -7.405 -3.819 272 HZ3 LYS 33 HZ3 LYS 33 21.805 -8.803 -4.491 273 H LYS 34 HN LYS 34 23.485 -2.621 -9.094 274 HA LYS 34 HA LYS 34 24.022 -3.712 -11.756 275 HB2 LYS 34 HB2 LYS 34 23.129 -0.937 -10.975 276 HB3 LYS 34 HB1 LYS 34 23.755 -1.339 -12.563 277 HG2 LYS 34 HG2 LYS 34 21.921 -2.822 -12.982 278 HG3 LYS 34 HG1 LYS 34 21.342 -2.642 -11.326 279 HD2 LYS 34 HD2 LYS 34 21.545 -0.368 -13.295 280 HD3 LYS 34 HD1 LYS 34 20.078 -1.309 -13.029 281 HE2 LYS 34 HE2 LYS 34 20.109 -0.648 -10.658 282 HE3 LYS 34 HE1 LYS 34 21.545 0.324 -10.960 283 HZ1 LYS 34 HZ1 LYS 34 20.275 1.691 -12.477 284 HZ2 LYS 34 HZ2 LYS 34 19.528 1.660 -10.961 285 HZ3 LYS 34 HZ3 LYS 34 18.898 0.742 -12.233 286 H ARG 35 HN ARG 35 24.897 -1.085 -9.537 287 HA ARG 35 HA ARG 35 27.672 -1.788 -9.590 288 HB2 ARG 35 HB2 ARG 35 28.469 0.363 -10.505 289 HB3 ARG 35 HB1 ARG 35 27.592 -0.578 -11.704 290 HG2 ARG 35 HG2 ARG 35 25.830 0.879 -11.766 291 HG3 ARG 35 HG1 ARG 35 26.098 1.444 -10.114 292 HD2 ARG 35 HD2 ARG 35 27.904 2.055 -12.450 293 HD3 ARG 35 HD1 ARG 35 26.645 3.135 -11.851 294 HE ARG 35 HE ARG 35 28.053 2.756 -9.633 295 HH11 ARG 35 HH11 ARG 35 29.125 3.473 -12.885 296 HH12 ARG 35 HH12 ARG 35 30.572 4.277 -12.366 297 HH21 ARG 35 HH21 ARG 35 29.963 3.801 -8.942 298 HH22 ARG 35 HH22 ARG 35 31.052 4.462 -10.129 299 H GLN 36 HN GLN 36 28.936 0.062 -8.435 300 HA GLN 36 HA GLN 36 27.212 1.280 -6.385 301 HB2 GLN 36 HB2 GLN 36 30.112 0.436 -6.214 302 HB3 GLN 36 HB1 GLN 36 29.284 1.368 -4.975 303 HG2 GLN 36 HG2 GLN 36 27.696 -0.480 -4.672 304 HG3 GLN 36 HG1 GLN 36 28.578 -1.415 -5.878 305 HE21 GLN 36 HE21 GLN 36 28.066 -1.935 -3.043 306 HE22 GLN 36 HE22 GLN 36 29.620 -2.154 -2.320 Start of MODEL 13 1 H1 THR 1 HT1 THR 1 -21.377 -8.390 3.070 2 H2 THR 1 HT2 THR 1 -20.698 -7.959 1.585 3 H3 THR 1 HT3 THR 1 -22.228 -8.672 1.636 4 HA THR 1 HA THR 1 -23.108 -6.766 2.807 5 HB THR 1 HB THR 1 -21.668 -4.690 2.829 6 HG1 THR 1 HG1 THR 1 -20.013 -5.426 1.420 7 HG21 THR 1 HG21 THR 1 -20.742 -6.998 4.544 8 HG22 THR 1 HG22 THR 1 -22.132 -5.962 4.870 9 HG23 THR 1 HG23 THR 1 -20.503 -5.286 4.895 10 H TRP 2 HN TRP 2 -24.029 -5.050 1.607 11 HA TRP 2 HA TRP 2 -23.477 -5.212 -1.275 12 HB2 TRP 2 HB2 TRP 2 -25.743 -5.915 -0.457 13 HB3 TRP 2 HB1 TRP 2 -25.998 -4.261 0.087 14 HD1 TRP 2 HD1 TRP 2 -26.403 -2.406 -1.784 15 HE1 TRP 2 HE1 TRP 2 -27.152 -2.572 -4.241 16 HE3 TRP 2 HE3 TRP 2 -25.520 -7.372 -2.546 17 HZ2 TRP 2 HZ2 TRP 2 -27.335 -4.565 -6.243 18 HZ3 TRP 2 HZ3 TRP 2 -26.003 -8.334 -4.755 19 HH2 TRP 2 HH2 TRP 2 -26.892 -6.959 -6.564 20 H SER 3 HN SER 3 -23.804 -3.095 1.447 21 HA SER 3 HA SER 3 -23.294 -0.768 -0.274 22 HB2 SER 3 HB2 SER 3 -25.398 -0.755 1.090 23 HB3 SER 3 HB1 SER 3 -24.403 -0.781 2.542 24 HG SER 3 HG SER 3 -24.389 1.227 0.529 25 H GLY 4 HN GLY 4 -21.131 -2.285 0.181 26 HA2 GLY 4 HA2 GLY 4 -19.689 -1.124 2.453 27 HA3 GLY 4 HA1 GLY 4 -19.149 -2.474 1.465 28 H THR 5 HN THR 5 -20.321 0.708 0.456 29 HA THR 5 HA THR 5 -18.408 1.059 -1.550 30 HB THR 5 HB THR 5 -19.339 3.585 -0.476 31 HG1 THR 5 HG1 THR 5 -21.366 1.676 -1.107 32 HG21 THR 5 HG21 THR 5 -20.369 3.754 -2.699 33 HG22 THR 5 HG22 THR 5 -20.003 2.055 -2.994 34 HG23 THR 5 HG23 THR 5 -18.692 3.218 -2.805 35 H LYS 6 HN LYS 6 -18.596 2.475 1.702 36 HA LYS 6 HA LYS 6 -16.099 3.837 1.511 37 HB2 LYS 6 HB2 LYS 6 -17.714 3.062 3.949 38 HB3 LYS 6 HB1 LYS 6 -16.362 4.184 3.938 39 HG2 LYS 6 HG2 LYS 6 -17.594 5.726 2.552 40 HG3 LYS 6 HG1 LYS 6 -18.928 4.579 2.416 41 HD2 LYS 6 HD2 LYS 6 -19.419 6.312 4.069 42 HD3 LYS 6 HD1 LYS 6 -19.306 4.724 4.826 43 HE2 LYS 6 HE2 LYS 6 -16.987 5.244 5.493 44 HE3 LYS 6 HE1 LYS 6 -17.171 6.854 4.804 45 HZ1 LYS 6 HZ1 LYS 6 -17.515 6.848 7.194 46 HZ2 LYS 6 HZ2 LYS 6 -18.781 5.741 7.035 47 HZ3 LYS 6 HZ3 LYS 6 -18.931 7.295 6.387 48 H LYS 7 HN LYS 7 -17.173 0.753 2.798 49 HA LYS 7 HA LYS 7 -14.839 0.004 4.147 50 HB2 LYS 7 HB2 LYS 7 -16.895 -1.728 2.762 51 HB3 LYS 7 HB1 LYS 7 -15.671 -2.325 3.874 52 HG2 LYS 7 HG2 LYS 7 -17.833 -0.345 4.572 53 HG3 LYS 7 HG1 LYS 7 -17.870 -2.070 4.936 54 HD2 LYS 7 HD2 LYS 7 -15.891 -1.836 6.338 55 HD3 LYS 7 HD1 LYS 7 -15.787 -0.123 5.934 56 HE2 LYS 7 HE2 LYS 7 -16.796 -0.374 8.110 57 HE3 LYS 7 HE1 LYS 7 -17.999 0.224 6.970 58 HZ1 LYS 7 HZ1 LYS 7 -18.867 -2.031 6.773 59 HZ2 LYS 7 HZ2 LYS 7 -18.911 -1.500 8.376 60 HZ3 LYS 7 HZ3 LYS 7 -17.717 -2.588 7.880 61 H ARG 8 HN ARG 8 -15.858 -0.609 0.793 62 HA ARG 8 HA ARG 8 -13.505 -1.955 0.013 63 HB2 ARG 8 HB2 ARG 8 -15.484 -2.114 -1.350 64 HB3 ARG 8 HB1 ARG 8 -15.470 -0.376 -1.639 65 HG2 ARG 8 HG2 ARG 8 -13.541 -0.508 -2.975 66 HG3 ARG 8 HG1 ARG 8 -13.185 -2.149 -2.436 67 HD2 ARG 8 HD2 ARG 8 -15.155 -2.965 -3.577 68 HD3 ARG 8 HD1 ARG 8 -15.559 -1.328 -4.091 69 HE ARG 8 HE ARG 8 -13.129 -1.556 -5.111 70 HH11 ARG 8 HH11 ARG 8 -15.823 -3.787 -5.213 71 HH12 ARG 8 HH12 ARG 8 -15.300 -4.553 -6.680 72 HH21 ARG 8 HH21 ARG 8 -12.435 -2.552 -7.043 73 HH22 ARG 8 HH22 ARG 8 -13.362 -3.859 -7.713 74 H ALA 9 HN ALA 9 -14.442 1.461 -0.162 75 HA ALA 9 HA ALA 9 -12.258 2.418 -1.593 76 HB1 ALA 9 HB1 ALA 9 -13.757 3.851 0.592 77 HB2 ALA 9 HB2 ALA 9 -14.266 3.738 -1.092 78 HB3 ALA 9 HB3 ALA 9 -12.784 4.597 -0.675 79 H GLN 10 HN GLN 10 -12.614 1.915 1.895 80 HA GLN 10 HA GLN 10 -10.067 3.032 2.511 81 HB2 GLN 10 HB2 GLN 10 -11.935 1.307 4.133 82 HB3 GLN 10 HB1 GLN 10 -10.445 1.999 4.763 83 HG2 GLN 10 HG2 GLN 10 -12.844 3.498 3.737 84 HG3 GLN 10 HG1 GLN 10 -12.292 3.383 5.408 85 HE21 GLN 10 HE21 GLN 10 -10.456 4.524 6.048 86 HE22 GLN 10 HE22 GLN 10 -9.820 5.833 5.110 87 H ARG 11 HN ARG 11 -11.184 -0.222 1.757 88 HA ARG 11 HA ARG 11 -8.752 -1.454 2.624 89 HB2 ARG 11 HB2 ARG 11 -9.575 -3.483 1.795 90 HB3 ARG 11 HB1 ARG 11 -11.019 -2.619 2.294 91 HG2 ARG 11 HG2 ARG 11 -11.429 -1.984 -0.037 92 HG3 ARG 11 HG1 ARG 11 -9.995 -2.891 -0.521 93 HD2 ARG 11 HD2 ARG 11 -11.988 -4.215 -0.897 94 HD3 ARG 11 HD1 ARG 11 -11.010 -4.942 0.376 95 HE ARG 11 HE ARG 11 -12.629 -3.717 1.932 96 HH11 ARG 11 HH11 ARG 11 -13.522 -4.996 -1.207 97 HH12 ARG 11 HH12 ARG 11 -15.182 -5.245 -0.770 98 HH21 ARG 11 HH21 ARG 11 -14.803 -4.049 2.510 99 HH22 ARG 11 HH22 ARG 11 -15.919 -4.697 1.347 100 H ILE 12 HN ILE 12 -9.895 0.002 -0.345 101 HA ILE 12 HA ILE 12 -7.751 -0.831 -2.007 102 HB ILE 12 HB ILE 12 -9.411 1.694 -2.186 103 HG12 ILE 12 HG12 ILE 12 -10.798 -0.311 -2.295 104 HG13 ILE 12 HG11 ILE 12 -10.715 0.460 -3.874 105 HG21 ILE 12 HG21 ILE 12 -7.691 0.357 -4.270 106 HG22 ILE 12 HG22 ILE 12 -7.338 1.879 -3.452 107 HG23 ILE 12 HG23 ILE 12 -8.727 1.760 -4.534 108 HD11 ILE 12 HD11 ILE 12 -9.031 -1.195 -4.561 109 HD12 ILE 12 HD12 ILE 12 -10.570 -1.928 -4.106 110 HD13 ILE 12 HD13 ILE 12 -9.202 -1.986 -2.994 111 H LEU 13 HN LEU 13 -8.249 1.911 0.142 112 HA LEU 13 HA LEU 13 -5.874 3.281 -0.326 113 HB2 LEU 13 HB2 LEU 13 -7.676 4.257 0.960 114 HB3 LEU 13 HB1 LEU 13 -7.526 3.012 2.185 115 HG LEU 13 HG LEU 13 -5.273 3.899 2.754 116 HD11 LEU 13 HD11 LEU 13 -6.033 6.089 0.827 117 HD12 LEU 13 HD12 LEU 13 -4.695 4.951 0.659 118 HD13 LEU 13 HD13 LEU 13 -4.677 6.147 1.953 119 HD21 LEU 13 HD21 LEU 13 -6.093 5.880 3.923 120 HD22 LEU 13 HD22 LEU 13 -7.244 4.547 4.030 121 HD23 LEU 13 HD23 LEU 13 -7.538 5.880 2.915 122 H ILE 14 HN ILE 14 -6.613 0.608 1.870 123 HA ILE 14 HA ILE 14 -4.101 0.364 3.083 124 HB ILE 14 HB ILE 14 -6.004 -1.881 2.371 125 HG12 ILE 14 HG12 ILE 14 -5.791 -0.266 4.924 126 HG13 ILE 14 HG11 ILE 14 -7.059 -0.084 3.716 127 HG21 ILE 14 HG21 ILE 14 -3.788 -1.736 4.416 128 HG22 ILE 14 HG22 ILE 14 -3.797 -2.705 2.940 129 HG23 ILE 14 HG23 ILE 14 -4.933 -3.068 4.241 130 HD11 ILE 14 HD11 ILE 14 -7.857 -1.388 5.576 131 HD12 ILE 14 HD12 ILE 14 -6.521 -2.525 5.390 132 HD13 ILE 14 HD13 ILE 14 -7.755 -2.403 4.137 133 H PHE 15 HN PHE 15 -5.406 -1.163 0.161 134 HA PHE 15 HA PHE 15 -3.129 -2.661 -0.506 135 HB2 PHE 15 HB2 PHE 15 -5.203 -1.505 -2.384 136 HB3 PHE 15 HB1 PHE 15 -4.094 -2.815 -2.757 137 HD1 PHE 15 HD2 PHE 15 -4.513 -3.951 0.212 138 HD2 PHE 15 HD1 PHE 15 -7.069 -2.946 -3.041 139 HE1 PHE 15 HE2 PHE 15 -6.179 -5.556 1.030 140 HE2 PHE 15 HE1 PHE 15 -8.743 -4.554 -2.222 141 HZ PHE 15 HZ PHE 15 -8.298 -5.864 -0.187 142 H LEU 16 HN LEU 16 -4.145 0.589 -1.519 143 HA LEU 16 HA LEU 16 -1.994 0.980 -3.305 144 HB2 LEU 16 HB2 LEU 16 -2.874 3.050 -3.706 145 HB3 LEU 16 HB1 LEU 16 -4.272 2.218 -3.070 146 HG LEU 16 HG LEU 16 -3.639 3.300 -0.812 147 HD11 LEU 16 HD11 LEU 16 -1.401 4.041 -1.634 148 HD12 LEU 16 HD12 LEU 16 -2.378 5.328 -0.921 149 HD13 LEU 16 HD13 LEU 16 -2.227 5.201 -2.675 150 HD21 LEU 16 HD21 LEU 16 -4.922 5.280 -1.388 151 HD22 LEU 16 HD22 LEU 16 -5.600 3.863 -2.193 152 HD23 LEU 16 HD23 LEU 16 -4.613 5.006 -3.102 153 H LEU 17 HN LEU 17 -2.356 1.533 0.130 154 HA LEU 17 HA LEU 17 0.074 2.976 0.463 155 HB2 LEU 17 HB2 LEU 17 -1.700 3.083 2.113 156 HB3 LEU 17 HB1 LEU 17 -1.584 1.359 2.399 157 HG LEU 17 HG LEU 17 0.665 1.665 3.337 158 HD11 LEU 17 HD11 LEU 17 1.489 3.916 3.813 159 HD12 LEU 17 HD12 LEU 17 0.127 4.600 2.924 160 HD13 LEU 17 HD13 LEU 17 1.336 3.631 2.079 161 HD21 LEU 17 HD21 LEU 17 -1.445 3.429 4.570 162 HD22 LEU 17 HD22 LEU 17 -0.027 2.781 5.398 163 HD23 LEU 17 HD23 LEU 17 -1.277 1.689 4.801 164 H GLU 18 HN GLU 18 -0.817 -0.397 1.143 165 HA GLU 18 HA GLU 18 1.641 -1.414 1.870 166 HB2 GLU 18 HB2 GLU 18 -0.623 -2.688 0.337 167 HB3 GLU 18 HB1 GLU 18 0.780 -3.593 0.884 168 HG2 GLU 18 HG2 GLU 18 -1.051 -2.047 2.699 169 HG3 GLU 18 HG1 GLU 18 -1.190 -3.775 2.370 170 H PHE 19 HN PHE 19 0.343 -0.906 -1.361 171 HA PHE 19 HA PHE 19 2.273 -2.198 -2.877 172 HB2 PHE 19 HB2 PHE 19 0.141 -1.226 -3.745 173 HB3 PHE 19 HB1 PHE 19 0.851 0.377 -3.593 174 HD1 PHE 19 HD1 PHE 19 2.722 1.044 -5.057 175 HD2 PHE 19 HD2 PHE 19 0.697 -2.664 -5.551 176 HE1 PHE 19 HE1 PHE 19 3.669 0.838 -7.313 177 HE2 PHE 19 HE2 PHE 19 1.641 -2.880 -7.812 178 HZ PHE 19 HZ PHE 19 3.128 -1.129 -8.695 179 H LEU 20 HN LEU 20 2.235 1.160 -1.690 180 HA LEU 20 HA LEU 20 4.730 1.793 -2.921 181 HB2 LEU 20 HB2 LEU 20 2.883 3.198 -1.063 182 HB3 LEU 20 HB1 LEU 20 4.541 3.760 -1.151 183 HG LEU 20 HG LEU 20 3.205 5.092 -2.631 184 HD11 LEU 20 HD11 LEU 20 5.476 4.440 -3.388 185 HD12 LEU 20 HD12 LEU 20 4.364 4.810 -4.707 186 HD13 LEU 20 HD13 LEU 20 4.745 3.132 -4.324 187 HD21 LEU 20 HD21 LEU 20 2.006 4.072 -4.539 188 HD22 LEU 20 HD22 LEU 20 1.325 3.649 -2.967 189 HD23 LEU 20 HD23 LEU 20 2.320 2.485 -3.838 190 H LEU 21 HN LEU 21 3.765 0.797 0.328 191 HA LEU 21 HA LEU 21 6.254 1.219 1.578 192 HB2 LEU 21 HB2 LEU 21 4.255 -0.958 2.199 193 HB3 LEU 21 HB1 LEU 21 5.478 -0.320 3.283 194 HG LEU 21 HG LEU 21 3.113 1.207 2.215 195 HD11 LEU 21 HD11 LEU 21 3.672 0.065 4.945 196 HD12 LEU 21 HD12 LEU 21 2.425 -0.462 3.815 197 HD13 LEU 21 HD13 LEU 21 2.331 1.138 4.548 198 HD21 LEU 21 HD21 LEU 21 3.791 2.937 3.821 199 HD22 LEU 21 HD22 LEU 21 5.018 2.664 2.584 200 HD23 LEU 21 HD23 LEU 21 5.237 2.002 4.204 201 H ASP 22 HN ASP 22 4.892 -1.570 -0.084 202 HA ASP 22 HA ASP 22 7.172 -3.245 0.179 203 HB2 ASP 22 HB2 ASP 22 5.004 -4.191 -0.327 204 HB3 ASP 22 HB1 ASP 22 4.898 -3.259 -1.814 205 H PHE 23 HN PHE 23 6.154 -0.886 -2.204 206 HA PHE 23 HA PHE 23 8.114 -1.462 -4.166 207 HB2 PHE 23 HB2 PHE 23 5.992 -0.176 -4.535 208 HB3 PHE 23 HB1 PHE 23 6.705 1.167 -3.653 209 HD1 PHE 23 HD2 PHE 23 6.758 -0.765 -6.758 210 HD2 PHE 23 HD1 PHE 23 8.416 2.545 -4.656 211 HE1 PHE 23 HE2 PHE 23 7.723 0.080 -8.857 212 HE2 PHE 23 HE1 PHE 23 9.383 3.396 -6.753 213 HZ PHE 23 HZ PHE 23 9.038 2.163 -8.855 214 H CYS 24 HN CYS 24 8.048 0.683 -1.373 215 HA CYS 24 HA CYS 24 10.617 1.859 -2.078 216 HB2 CYS 24 HB2 CYS 24 8.853 2.366 0.317 217 HB3 CYS 24 HB1 CYS 24 10.232 3.335 -0.186 218 HG CYS 24 HG CYS 24 7.249 3.024 -1.829 219 H THR 25 HN THR 25 10.727 -0.880 -1.532 220 HA THR 25 HA THR 25 11.818 -1.179 1.133 221 HB THR 25 HB THR 25 12.454 -3.510 0.107 222 HG1 THR 25 HG1 THR 25 10.248 -3.004 -1.564 223 HG21 THR 25 HG21 THR 25 10.211 -4.348 0.643 224 HG22 THR 25 HG22 THR 25 9.586 -2.699 0.606 225 HG23 THR 25 HG23 THR 25 10.758 -3.170 1.837 226 H GLY 26 HN GLY 26 12.972 -1.115 -2.203 227 HA2 GLY 26 HA2 GLY 26 15.702 -0.746 -1.140 228 HA3 GLY 26 HA1 GLY 26 15.359 -1.563 -2.661 229 H GLU 27 HN GLU 27 17.086 0.672 -2.336 230 HA GLU 27 HA GLU 27 15.837 3.078 -3.150 231 HB2 GLU 27 HB2 GLU 27 18.153 3.745 -3.843 232 HB3 GLU 27 HB1 GLU 27 18.025 3.181 -2.184 233 HG2 GLU 27 HG2 GLU 27 18.871 0.982 -2.885 234 HG3 GLU 27 HG1 GLU 27 19.047 1.595 -4.528 235 H ASP 28 HN ASP 28 16.996 0.276 -4.856 236 HA ASP 28 HA ASP 28 15.751 1.308 -7.288 237 HB2 ASP 28 HB2 ASP 28 18.154 1.778 -7.537 238 HB3 ASP 28 HB1 ASP 28 18.516 0.085 -7.225 239 H SER 29 HN SER 29 14.308 -0.275 -5.983 240 HA SER 29 HA SER 29 14.721 -3.056 -6.385 241 HB2 SER 29 HB2 SER 29 12.097 -1.579 -6.042 242 HB3 SER 29 HB1 SER 29 12.392 -3.292 -5.740 243 HG SER 29 HG SER 29 13.774 -2.703 -4.042 244 H VAL 30 HN VAL 30 13.519 -4.414 -7.909 245 HA VAL 30 HA VAL 30 12.990 -2.985 -10.433 246 HB VAL 30 HB VAL 30 13.782 -5.890 -10.262 247 HG11 VAL 30 HG11 VAL 30 12.721 -5.174 -12.334 248 HG12 VAL 30 HG12 VAL 30 14.421 -5.551 -12.604 249 HG13 VAL 30 HG13 VAL 30 13.897 -3.871 -12.502 250 HG21 VAL 30 HG21 VAL 30 15.573 -4.595 -9.232 251 HG22 VAL 30 HG22 VAL 30 15.619 -3.527 -10.635 252 HG23 VAL 30 HG23 VAL 30 16.075 -5.222 -10.802 253 H ASP 31 HN ASP 31 10.894 -2.877 -9.012 254 HA ASP 31 HA ASP 31 9.227 -5.248 -9.408 255 HB2 ASP 31 HB2 ASP 31 9.228 -4.067 -7.195 256 HB3 ASP 31 HB1 ASP 31 8.543 -2.656 -7.996 257 H GLY 32 HN GLY 32 8.873 -5.190 -11.626 258 HA2 GLY 32 HA2 GLY 32 7.759 -2.718 -12.752 259 HA3 GLY 32 HA1 GLY 32 8.394 -4.072 -13.671 260 H LYS 33 HN LYS 33 5.803 -3.437 -11.301 261 HA LYS 33 HA LYS 33 4.144 -5.423 -12.647 262 HB2 LYS 33 HB2 LYS 33 4.033 -4.026 -10.009 263 HB3 LYS 33 HB1 LYS 33 2.557 -4.700 -10.678 264 HG2 LYS 33 HG2 LYS 33 3.619 -6.232 -9.120 265 HG3 LYS 33 HG1 LYS 33 3.570 -6.905 -10.746 266 HD2 LYS 33 HD2 LYS 33 5.885 -6.463 -11.080 267 HD3 LYS 33 HD1 LYS 33 5.974 -5.503 -9.601 268 HE2 LYS 33 HE2 LYS 33 5.331 -8.447 -9.696 269 HE3 LYS 33 HE1 LYS 33 6.933 -7.785 -9.371 270 HZ1 LYS 33 HZ1 LYS 33 6.003 -6.638 -7.437 271 HZ2 LYS 33 HZ2 LYS 33 5.821 -8.319 -7.318 272 HZ3 LYS 33 HZ3 LYS 33 4.494 -7.354 -7.731 273 H LYS 34 HN LYS 34 4.573 -2.046 -12.622 274 HA LYS 34 HA LYS 34 1.857 -1.608 -13.606 275 HB2 LYS 34 HB2 LYS 34 3.920 0.368 -12.621 276 HB3 LYS 34 HB1 LYS 34 2.326 0.794 -13.218 277 HG2 LYS 34 HG2 LYS 34 1.309 -0.513 -11.407 278 HG3 LYS 34 HG1 LYS 34 2.918 -0.890 -10.797 279 HD2 LYS 34 HD2 LYS 34 2.009 0.920 -9.507 280 HD3 LYS 34 HD1 LYS 34 3.317 1.547 -10.510 281 HE2 LYS 34 HE2 LYS 34 1.734 2.462 -12.080 282 HE3 LYS 34 HE1 LYS 34 0.392 1.716 -11.217 283 HZ1 LYS 34 HZ1 LYS 34 0.897 3.107 -9.307 284 HZ2 LYS 34 HZ2 LYS 34 0.592 4.052 -10.673 285 HZ3 LYS 34 HZ3 LYS 34 2.183 3.826 -10.142 286 H ARG 35 HN ARG 35 1.480 -0.554 -15.541 287 HA ARG 35 HA ARG 35 1.762 -0.123 -17.744 288 HB2 ARG 35 HB2 ARG 35 3.127 1.738 -16.826 289 HB3 ARG 35 HB1 ARG 35 4.551 0.714 -16.920 290 HG2 ARG 35 HG2 ARG 35 4.440 2.286 -18.782 291 HG3 ARG 35 HG1 ARG 35 4.353 0.615 -19.339 292 HD2 ARG 35 HD2 ARG 35 2.754 2.051 -20.514 293 HD3 ARG 35 HD1 ARG 35 1.945 0.797 -19.579 294 HE ARG 35 HE ARG 35 2.243 3.431 -18.354 295 HH11 ARG 35 HH11 ARG 35 0.174 1.079 -19.924 296 HH12 ARG 35 HH12 ARG 35 -1.296 1.840 -19.407 297 HH21 ARG 35 HH21 ARG 35 0.299 4.443 -17.684 298 HH22 ARG 35 HH22 ARG 35 -1.226 3.749 -18.141 299 H GLN 36 HN GLN 36 1.605 -2.469 -18.000 300 HA GLN 36 HA GLN 36 4.129 -3.743 -18.753 301 HB2 GLN 36 HB2 GLN 36 3.025 -5.871 -18.560 302 HB3 GLN 36 HB1 GLN 36 2.705 -4.942 -17.110 303 HG2 GLN 36 HG2 GLN 36 0.781 -5.314 -19.396 304 HG3 GLN 36 HG1 GLN 36 0.764 -6.227 -17.892 305 HE21 GLN 36 HE21 GLN 36 0.047 -3.227 -19.435 306 HE22 GLN 36 HE22 GLN 36 -0.850 -2.527 -18.127 Start of MODEL 14 1 H1 THR 1 HT1 THR 1 -21.794 -4.027 -4.127 2 H2 THR 1 HT2 THR 1 -22.760 -4.564 -2.851 3 H3 THR 1 HT3 THR 1 -21.194 -5.171 -3.041 4 HA THR 1 HA THR 1 -21.326 -3.557 -1.248 5 HB THR 1 HB THR 1 -19.738 -2.508 -3.599 6 HG1 THR 1 HG1 THR 1 -18.216 -4.067 -2.163 7 HG21 THR 1 HG21 THR 1 -18.144 -1.816 -1.873 8 HG22 THR 1 HG22 THR 1 -19.215 -2.447 -0.624 9 HG23 THR 1 HG23 THR 1 -19.722 -1.077 -1.610 10 H TRP 2 HN TRP 2 -23.164 -2.383 -0.836 11 HA TRP 2 HA TRP 2 -23.618 -0.036 -2.555 12 HB2 TRP 2 HB2 TRP 2 -25.383 -1.844 -2.656 13 HB3 TRP 2 HB1 TRP 2 -25.743 -1.475 -0.976 14 HD1 TRP 2 HD1 TRP 2 -26.251 -0.171 -4.501 15 HE1 TRP 2 HE1 TRP 2 -27.904 1.806 -4.442 16 HE3 TRP 2 HE3 TRP 2 -26.533 0.478 0.551 17 HZ2 TRP 2 HZ2 TRP 2 -29.159 3.419 -2.496 18 HZ3 TRP 2 HZ3 TRP 2 -27.981 2.259 1.436 19 HH2 TRP 2 HH2 TRP 2 -29.265 3.699 -0.057 20 H SER 3 HN SER 3 -23.951 -1.311 0.711 21 HA SER 3 HA SER 3 -24.382 1.302 1.834 22 HB2 SER 3 HB2 SER 3 -25.426 -0.713 2.817 23 HB3 SER 3 HB1 SER 3 -23.828 -1.334 3.218 24 HG SER 3 HG SER 3 -24.607 1.212 4.128 25 H GLY 4 HN GLY 4 -21.748 -1.092 1.911 26 HA2 GLY 4 HA2 GLY 4 -20.048 0.786 3.345 27 HA3 GLY 4 HA1 GLY 4 -19.660 -0.881 2.955 28 H THR 5 HN THR 5 -20.535 1.985 1.028 29 HA THR 5 HA THR 5 -18.813 1.270 -1.107 30 HB THR 5 HB THR 5 -19.249 3.761 -1.742 31 HG1 THR 5 HG1 THR 5 -20.607 4.831 -0.486 32 HG21 THR 5 HG21 THR 5 -21.464 3.164 -2.600 33 HG22 THR 5 HG22 THR 5 -21.517 1.778 -1.510 34 HG23 THR 5 HG23 THR 5 -20.326 1.833 -2.809 35 H LYS 6 HN LYS 6 -18.595 3.766 1.414 36 HA LYS 6 HA LYS 6 -15.992 4.624 0.641 37 HB2 LYS 6 HB2 LYS 6 -17.409 4.961 3.290 38 HB3 LYS 6 HB1 LYS 6 -15.956 5.814 2.798 39 HG2 LYS 6 HG2 LYS 6 -17.228 6.819 0.932 40 HG3 LYS 6 HG1 LYS 6 -18.684 6.039 1.552 41 HD2 LYS 6 HD2 LYS 6 -18.412 7.240 3.672 42 HD3 LYS 6 HD1 LYS 6 -16.969 8.030 3.033 43 HE2 LYS 6 HE2 LYS 6 -18.343 9.022 1.244 44 HE3 LYS 6 HE1 LYS 6 -19.773 8.281 1.958 45 HZ1 LYS 6 HZ1 LYS 6 -18.029 10.323 3.218 46 HZ2 LYS 6 HZ2 LYS 6 -19.316 9.550 3.996 47 HZ3 LYS 6 HZ3 LYS 6 -19.611 10.548 2.664 48 H LYS 7 HN LYS 7 -17.252 2.194 2.801 49 HA LYS 7 HA LYS 7 -14.861 1.570 4.160 50 HB2 LYS 7 HB2 LYS 7 -17.128 -0.309 3.468 51 HB3 LYS 7 HB1 LYS 7 -15.933 -0.534 4.736 52 HG2 LYS 7 HG2 LYS 7 -16.799 1.461 5.879 53 HG3 LYS 7 HG1 LYS 7 -18.029 1.622 4.629 54 HD2 LYS 7 HD2 LYS 7 -19.069 0.526 6.451 55 HD3 LYS 7 HD1 LYS 7 -18.773 -0.714 5.231 56 HE2 LYS 7 HE2 LYS 7 -18.177 -1.596 7.379 57 HE3 LYS 7 HE1 LYS 7 -16.701 -1.338 6.451 58 HZ1 LYS 7 HZ1 LYS 7 -16.417 -0.574 8.701 59 HZ2 LYS 7 HZ2 LYS 7 -17.767 0.433 8.579 60 HZ3 LYS 7 HZ3 LYS 7 -16.387 0.756 7.657 61 H ARG 8 HN ARG 8 -16.218 0.546 1.091 62 HA ARG 8 HA ARG 8 -14.194 -1.387 0.536 63 HB2 ARG 8 HB2 ARG 8 -16.567 -1.178 -0.472 64 HB3 ARG 8 HB1 ARG 8 -15.866 0.033 -1.533 65 HG2 ARG 8 HG2 ARG 8 -14.709 -2.725 -1.330 66 HG3 ARG 8 HG1 ARG 8 -16.069 -2.368 -2.391 67 HD2 ARG 8 HD2 ARG 8 -13.387 -0.991 -2.470 68 HD3 ARG 8 HD1 ARG 8 -13.899 -2.283 -3.554 69 HE ARG 8 HE ARG 8 -15.608 0.062 -3.485 70 HH11 ARG 8 HH11 ARG 8 -12.984 -1.620 -5.069 71 HH12 ARG 8 HH12 ARG 8 -13.152 -0.751 -6.558 72 HH21 ARG 8 HH21 ARG 8 -15.824 1.231 -5.436 73 HH22 ARG 8 HH22 ARG 8 -14.764 0.884 -6.762 74 H ALA 9 HN ALA 9 -14.622 2.039 -0.041 75 HA ALA 9 HA ALA 9 -12.493 2.350 -1.893 76 HB1 ALA 9 HB1 ALA 9 -14.308 3.984 -1.663 77 HB2 ALA 9 HB2 ALA 9 -12.724 4.732 -1.476 78 HB3 ALA 9 HB3 ALA 9 -13.717 4.405 -0.056 79 H GLN 10 HN GLN 10 -12.721 2.684 1.626 80 HA GLN 10 HA GLN 10 -10.055 3.639 1.944 81 HB2 GLN 10 HB2 GLN 10 -10.417 3.339 4.327 82 HB3 GLN 10 HB1 GLN 10 -11.822 4.095 3.591 83 HG2 GLN 10 HG2 GLN 10 -13.005 1.991 3.616 84 HG3 GLN 10 HG1 GLN 10 -11.588 1.176 4.270 85 HE21 GLN 10 HE21 GLN 10 -12.650 0.491 6.099 86 HE22 GLN 10 HE22 GLN 10 -13.116 1.570 7.370 87 H ARG 11 HN ARG 11 -11.480 0.467 1.778 88 HA ARG 11 HA ARG 11 -9.232 -0.861 2.949 89 HB2 ARG 11 HB2 ARG 11 -10.320 -2.885 2.512 90 HB3 ARG 11 HB1 ARG 11 -11.628 -1.753 2.809 91 HG2 ARG 11 HG2 ARG 11 -11.900 -1.520 0.349 92 HG3 ARG 11 HG1 ARG 11 -10.701 -2.801 0.148 93 HD2 ARG 11 HD2 ARG 11 -13.336 -3.024 1.596 94 HD3 ARG 11 HD1 ARG 11 -12.954 -3.710 0.018 95 HE ARG 11 HE ARG 11 -11.087 -4.843 1.567 96 HH11 ARG 11 HH11 ARG 11 -14.533 -4.451 2.042 97 HH12 ARG 11 HH12 ARG 11 -14.706 -5.919 2.951 98 HH21 ARG 11 HH21 ARG 11 -11.307 -6.775 2.767 99 HH22 ARG 11 HH22 ARG 11 -12.868 -7.237 3.373 100 H ILE 12 HN ILE 12 -9.988 0.358 -0.180 101 HA ILE 12 HA ILE 12 -8.084 -1.161 -1.663 102 HB ILE 12 HB ILE 12 -9.122 1.627 -2.225 103 HG12 ILE 12 HG12 ILE 12 -10.073 -1.037 -3.297 104 HG13 ILE 12 HG11 ILE 12 -10.900 -0.101 -2.056 105 HG21 ILE 12 HG21 ILE 12 -8.467 1.158 -4.552 106 HG22 ILE 12 HG22 ILE 12 -7.758 -0.371 -4.031 107 HG23 ILE 12 HG23 ILE 12 -7.082 1.155 -3.458 108 HD11 ILE 12 HD11 ILE 12 -10.405 0.774 -4.890 109 HD12 ILE 12 HD12 ILE 12 -11.237 1.711 -3.651 110 HD13 ILE 12 HD13 ILE 12 -11.934 0.198 -4.230 111 H LEU 13 HN LEU 13 -7.993 1.718 0.297 112 HA LEU 13 HA LEU 13 -5.479 2.713 -0.341 113 HB2 LEU 13 HB2 LEU 13 -7.268 3.775 1.101 114 HB3 LEU 13 HB1 LEU 13 -6.756 2.716 2.396 115 HG LEU 13 HG LEU 13 -4.835 4.646 1.105 116 HD11 LEU 13 HD11 LEU 13 -5.365 6.227 2.882 117 HD12 LEU 13 HD12 LEU 13 -6.645 5.162 3.462 118 HD13 LEU 13 HD13 LEU 13 -6.778 5.917 1.874 119 HD21 LEU 13 HD21 LEU 13 -3.871 2.888 2.510 120 HD22 LEU 13 HD22 LEU 13 -4.936 3.356 3.834 121 HD23 LEU 13 HD23 LEU 13 -3.696 4.472 3.266 122 H ILE 14 HN ILE 14 -6.482 0.124 1.797 123 HA ILE 14 HA ILE 14 -4.090 -0.448 3.093 124 HB ILE 14 HB ILE 14 -6.220 -2.374 2.139 125 HG12 ILE 14 HG12 ILE 14 -5.834 -1.011 4.815 126 HG13 ILE 14 HG11 ILE 14 -7.047 -0.575 3.616 127 HG21 ILE 14 HG21 ILE 14 -5.383 -3.896 3.850 128 HG22 ILE 14 HG22 ILE 14 -4.100 -2.755 4.248 129 HG23 ILE 14 HG23 ILE 14 -4.131 -3.528 2.664 130 HD11 ILE 14 HD11 ILE 14 -8.074 -2.777 3.867 131 HD12 ILE 14 HD12 ILE 14 -8.015 -1.897 5.396 132 HD13 ILE 14 HD13 ILE 14 -6.865 -3.196 5.079 133 H PHE 15 HN PHE 15 -5.315 -1.652 -0.012 134 HA PHE 15 HA PHE 15 -3.079 -3.313 -0.540 135 HB2 PHE 15 HB2 PHE 15 -5.216 -2.198 -2.358 136 HB3 PHE 15 HB1 PHE 15 -4.004 -3.366 -2.870 137 HD1 PHE 15 HD1 PHE 15 -4.078 -5.665 -2.073 138 HD2 PHE 15 HD2 PHE 15 -7.030 -2.829 -0.918 139 HE1 PHE 15 HE1 PHE 15 -5.522 -7.494 -1.286 140 HE2 PHE 15 HE2 PHE 15 -8.477 -4.649 -0.127 141 HZ PHE 15 HZ PHE 15 -7.727 -6.989 -0.312 142 H LEU 16 HN LEU 16 -3.911 0.001 -1.457 143 HA LEU 16 HA LEU 16 -1.675 0.317 -3.188 144 HB2 LEU 16 HB2 LEU 16 -2.396 2.460 -3.556 145 HB3 LEU 16 HB1 LEU 16 -3.882 1.683 -3.065 146 HG LEU 16 HG LEU 16 -3.331 2.630 -0.709 147 HD11 LEU 16 HD11 LEU 16 -1.753 4.543 -2.417 148 HD12 LEU 16 HD12 LEU 16 -1.027 3.307 -1.391 149 HD13 LEU 16 HD13 LEU 16 -1.986 4.605 -0.668 150 HD21 LEU 16 HD21 LEU 16 -4.520 4.663 -1.244 151 HD22 LEU 16 HD22 LEU 16 -5.190 3.330 -2.187 152 HD23 LEU 16 HD23 LEU 16 -4.107 4.494 -2.948 153 H LEU 17 HN LEU 17 -2.225 0.830 0.229 154 HA LEU 17 HA LEU 17 0.181 2.151 0.835 155 HB2 LEU 17 HB2 LEU 17 -1.644 2.058 2.415 156 HB3 LEU 17 HB1 LEU 17 -1.549 0.310 2.484 157 HG LEU 17 HG LEU 17 0.681 0.491 3.530 158 HD11 LEU 17 HD11 LEU 17 1.433 2.659 4.375 159 HD12 LEU 17 HD12 LEU 17 0.095 3.447 3.540 160 HD13 LEU 17 HD13 LEU 17 1.359 2.637 2.614 161 HD21 LEU 17 HD21 LEU 17 -1.294 0.247 4.908 162 HD22 LEU 17 HD22 LEU 17 -1.533 1.991 4.911 163 HD23 LEU 17 HD23 LEU 17 -0.120 1.294 5.704 164 H GLU 18 HN GLU 18 -0.675 -1.288 1.073 165 HA GLU 18 HA GLU 18 1.838 -2.274 1.750 166 HB2 GLU 18 HB2 GLU 18 -0.344 -3.578 0.118 167 HB3 GLU 18 HB1 GLU 18 1.041 -4.427 0.790 168 HG2 GLU 18 HG2 GLU 18 -1.091 -2.998 2.360 169 HG3 GLU 18 HG1 GLU 18 -0.941 -4.742 2.156 170 H PHE 19 HN PHE 19 0.515 -1.380 -1.375 171 HA PHE 19 HA PHE 19 2.604 -2.470 -2.947 172 HB2 PHE 19 HB2 PHE 19 0.423 -1.812 -3.897 173 HB3 PHE 19 HB1 PHE 19 0.791 -0.124 -3.560 174 HD1 PHE 19 HD2 PHE 19 1.979 -3.070 -5.477 175 HD2 PHE 19 HD1 PHE 19 1.935 1.167 -5.122 176 HE1 PHE 19 HE2 PHE 19 3.077 -2.878 -7.669 177 HE2 PHE 19 HE1 PHE 19 3.034 1.366 -7.312 178 HZ PHE 19 HZ PHE 19 3.605 -0.659 -8.587 179 H LEU 20 HN LEU 20 2.003 0.856 -1.782 180 HA LEU 20 HA LEU 20 4.296 2.029 -2.839 181 HB2 LEU 20 HB2 LEU 20 2.397 2.674 -0.664 182 HB3 LEU 20 HB1 LEU 20 3.929 3.524 -0.644 183 HG LEU 20 HG LEU 20 3.500 4.546 -2.751 184 HD11 LEU 20 HD11 LEU 20 1.076 2.766 -2.961 185 HD12 LEU 20 HD12 LEU 20 2.537 2.670 -3.944 186 HD13 LEU 20 HD13 LEU 20 1.483 4.077 -4.069 187 HD21 LEU 20 HD21 LEU 20 0.990 4.526 -1.094 188 HD22 LEU 20 HD22 LEU 20 1.405 5.737 -2.310 189 HD23 LEU 20 HD23 LEU 20 2.390 5.571 -0.855 190 H LEU 21 HN LEU 21 3.839 0.610 0.411 191 HA LEU 21 HA LEU 21 6.426 1.372 1.278 192 HB2 LEU 21 HB2 LEU 21 6.016 -0.110 3.207 193 HB3 LEU 21 HB1 LEU 21 4.739 1.052 2.920 194 HG LEU 21 HG LEU 21 3.586 -0.921 1.667 195 HD11 LEU 21 HD11 LEU 21 4.089 -3.111 2.631 196 HD12 LEU 21 HD12 LEU 21 5.459 -2.416 3.495 197 HD13 LEU 21 HD13 LEU 21 5.464 -2.468 1.732 198 HD21 LEU 21 HD21 LEU 21 2.511 -1.596 3.754 199 HD22 LEU 21 HD22 LEU 21 2.742 0.151 3.683 200 HD23 LEU 21 HD23 LEU 21 3.816 -0.841 4.669 201 H ASP 22 HN ASP 22 5.386 -1.182 -0.695 202 HA ASP 22 HA ASP 22 7.798 -2.753 -0.145 203 HB2 ASP 22 HB2 ASP 22 5.716 -4.016 -0.282 204 HB3 ASP 22 HB1 ASP 22 5.405 -3.369 -1.888 205 H PHE 23 HN PHE 23 6.114 -1.127 -2.785 206 HA PHE 23 HA PHE 23 8.026 -1.702 -4.787 207 HB2 PHE 23 HB2 PHE 23 5.690 -1.042 -5.253 208 HB3 PHE 23 HB1 PHE 23 6.030 0.568 -4.631 209 HD1 PHE 23 HD1 PHE 23 6.700 -1.796 -7.366 210 HD2 PHE 23 HD2 PHE 23 7.143 2.195 -5.961 211 HE1 PHE 23 HE1 PHE 23 7.373 -1.080 -9.620 212 HE2 PHE 23 HE2 PHE 23 7.821 2.916 -8.213 213 HZ PHE 23 HZ PHE 23 7.932 1.278 -10.046 214 H CYS 24 HN CYS 24 7.712 0.904 -2.453 215 HA CYS 24 HA CYS 24 9.845 2.403 -3.755 216 HB2 CYS 24 HB2 CYS 24 7.708 3.453 -2.885 217 HB3 CYS 24 HB1 CYS 24 8.335 3.173 -1.267 218 HG CYS 24 HG CYS 24 10.771 4.673 -2.076 219 H THR 25 HN THR 25 10.105 -0.186 -2.055 220 HA THR 25 HA THR 25 11.762 0.486 0.142 221 HB THR 25 HB THR 25 12.696 -1.851 -0.163 222 HG1 THR 25 HG1 THR 25 10.606 -2.388 -1.957 223 HG21 THR 25 HG21 THR 25 10.845 -1.435 1.349 224 HG22 THR 25 HG22 THR 25 10.602 -2.966 0.508 225 HG23 THR 25 HG23 THR 25 9.700 -1.534 0.012 226 H GLY 26 HN GLY 26 12.372 -0.133 -3.265 227 HA2 GLY 26 HA2 GLY 26 15.202 0.313 -3.067 228 HA3 GLY 26 HA1 GLY 26 14.257 0.206 -4.547 229 H GLU 27 HN GLU 27 14.962 2.318 -1.816 230 HA GLU 27 HA GLU 27 13.804 4.651 -2.945 231 HB2 GLU 27 HB2 GLU 27 14.989 5.822 -1.109 232 HB3 GLU 27 HB1 GLU 27 14.048 4.440 -0.574 233 HG2 GLU 27 HG2 GLU 27 16.079 3.091 -0.463 234 HG3 GLU 27 HG1 GLU 27 17.025 4.489 -0.974 235 H ASP 28 HN ASP 28 16.606 3.012 -3.671 236 HA ASP 28 HA ASP 28 18.263 5.086 -4.625 237 HB2 ASP 28 HB2 ASP 28 19.038 2.761 -4.473 238 HB3 ASP 28 HB1 ASP 28 17.873 2.281 -5.703 239 H SER 29 HN SER 29 15.355 3.624 -5.795 240 HA SER 29 HA SER 29 15.335 5.483 -8.079 241 HB2 SER 29 HB2 SER 29 14.118 2.707 -7.967 242 HB3 SER 29 HB1 SER 29 14.064 3.808 -9.342 243 HG SER 29 HG SER 29 16.604 3.411 -8.469 244 H VAL 30 HN VAL 30 12.675 4.978 -8.814 245 HA VAL 30 HA VAL 30 10.504 5.380 -8.364 246 HB VAL 30 HB VAL 30 11.251 4.789 -5.503 247 HG11 VAL 30 HG11 VAL 30 9.159 6.024 -5.625 248 HG12 VAL 30 HG12 VAL 30 8.849 4.344 -5.186 249 HG13 VAL 30 HG13 VAL 30 8.543 4.897 -6.833 250 HG21 VAL 30 HG21 VAL 30 10.109 3.008 -7.651 251 HG22 VAL 30 HG22 VAL 30 10.324 2.557 -5.960 252 HG23 VAL 30 HG23 VAL 30 11.730 2.916 -6.962 253 H ASP 31 HN ASP 31 10.385 7.474 -8.931 254 HA ASP 31 HA ASP 31 11.191 9.609 -7.168 255 HB2 ASP 31 HB2 ASP 31 9.774 9.559 -9.832 256 HB3 ASP 31 HB1 ASP 31 9.999 11.049 -8.925 257 H GLY 32 HN GLY 32 8.878 7.562 -6.690 258 HA2 GLY 32 HA2 GLY 32 6.556 9.176 -6.325 259 HA3 GLY 32 HA1 GLY 32 6.833 7.583 -5.633 260 H LYS 33 HN LYS 33 9.432 8.691 -4.524 261 HA LYS 33 HA LYS 33 10.279 9.754 -2.739 262 HB2 LYS 33 HB2 LYS 33 7.703 11.317 -2.846 263 HB3 LYS 33 HB1 LYS 33 8.985 11.636 -1.684 264 HG2 LYS 33 HG2 LYS 33 10.537 12.036 -3.565 265 HG3 LYS 33 HG1 LYS 33 9.191 11.814 -4.682 266 HD2 LYS 33 HD2 LYS 33 9.277 13.902 -2.510 267 HD3 LYS 33 HD1 LYS 33 9.725 14.196 -4.189 268 HE2 LYS 33 HE2 LYS 33 7.450 13.518 -4.873 269 HE3 LYS 33 HE1 LYS 33 7.021 13.331 -3.174 270 HZ1 LYS 33 HZ1 LYS 33 7.907 15.858 -4.458 271 HZ2 LYS 33 HZ2 LYS 33 7.477 15.672 -2.833 272 HZ3 LYS 33 HZ3 LYS 33 6.315 15.471 -4.040 273 H LYS 34 HN LYS 34 10.442 8.047 -1.488 274 HA LYS 34 HA LYS 34 8.524 6.649 -0.104 275 HB2 LYS 34 HB2 LYS 34 10.325 6.038 1.494 276 HB3 LYS 34 HB1 LYS 34 10.804 5.874 -0.189 277 HG2 LYS 34 HG2 LYS 34 12.043 7.947 -0.076 278 HG3 LYS 34 HG1 LYS 34 11.494 8.212 1.578 279 HD2 LYS 34 HD2 LYS 34 13.191 5.897 0.649 280 HD3 LYS 34 HD1 LYS 34 13.791 7.330 1.482 281 HE2 LYS 34 HE2 LYS 34 12.190 6.740 3.356 282 HE3 LYS 34 HE1 LYS 34 11.959 5.194 2.546 283 HZ1 LYS 34 HZ1 LYS 34 13.632 4.986 4.233 284 HZ2 LYS 34 HZ2 LYS 34 14.521 6.268 3.587 285 HZ3 LYS 34 HZ3 LYS 34 14.372 4.824 2.716 286 H ARG 35 HN ARG 35 10.034 9.707 0.800 287 HA ARG 35 HA ARG 35 8.590 9.729 3.325 288 HB2 ARG 35 HB2 ARG 35 10.936 10.544 3.228 289 HB3 ARG 35 HB1 ARG 35 10.416 11.837 2.157 290 HG2 ARG 35 HG2 ARG 35 9.008 12.757 3.897 291 HG3 ARG 35 HG1 ARG 35 9.427 11.423 4.971 292 HD2 ARG 35 HD2 ARG 35 11.777 12.130 4.904 293 HD3 ARG 35 HD1 ARG 35 11.335 13.480 3.861 294 HE ARG 35 HE ARG 35 9.762 13.623 6.167 295 HH11 ARG 35 HH11 ARG 35 13.140 13.862 5.287 296 HH12 ARG 35 HH12 ARG 35 13.526 14.984 6.551 297 HH21 ARG 35 HH21 ARG 35 10.256 15.093 7.841 298 HH22 ARG 35 HH22 ARG 35 11.874 15.693 8.012 299 H GLN 36 HN GLN 36 6.475 9.929 2.798 300 HA GLN 36 HA GLN 36 5.676 12.369 1.366 301 HB2 GLN 36 HB2 GLN 36 4.176 9.798 1.871 302 HB3 GLN 36 HB1 GLN 36 3.432 11.240 1.195 303 HG2 GLN 36 HG2 GLN 36 4.985 11.138 -0.697 304 HG3 GLN 36 HG1 GLN 36 5.692 9.671 -0.024 305 HE21 GLN 36 HE21 GLN 36 2.891 11.071 -1.536 306 HE22 GLN 36 HE22 GLN 36 2.138 9.579 -1.982 Start of MODEL 15 1 H1 THR 1 HT1 THR 1 -15.099 -0.928 10.466 2 H2 THR 1 HT2 THR 1 -16.528 -1.433 9.718 3 H3 THR 1 HT3 THR 1 -15.724 -2.465 10.784 4 HA THR 1 HA THR 1 -17.677 -1.486 11.789 5 HB THR 1 HB THR 1 -15.775 -2.117 13.212 6 HG1 THR 1 HG1 THR 1 -17.266 -1.348 14.540 7 HG21 THR 1 HG21 THR 1 -14.065 -0.665 12.219 8 HG22 THR 1 HG22 THR 1 -14.154 -0.457 13.966 9 HG23 THR 1 HG23 THR 1 -14.873 0.747 12.897 10 H TRP 2 HN TRP 2 -18.965 0.254 12.105 11 HA TRP 2 HA TRP 2 -19.846 2.332 11.836 12 HB2 TRP 2 HB2 TRP 2 -17.849 2.735 13.444 13 HB3 TRP 2 HB1 TRP 2 -17.081 3.487 12.050 14 HD1 TRP 2 HD1 TRP 2 -17.858 5.890 11.395 15 HE1 TRP 2 HE1 TRP 2 -19.460 7.604 12.457 16 HE3 TRP 2 HE3 TRP 2 -20.132 2.849 14.805 17 HZ2 TRP 2 HZ2 TRP 2 -21.428 7.648 14.481 18 HZ3 TRP 2 HZ3 TRP 2 -21.865 3.801 16.266 19 HH2 TRP 2 HH2 TRP 2 -22.498 6.151 16.106 20 H SER 3 HN SER 3 -18.854 0.840 9.507 21 HA SER 3 HA SER 3 -19.068 2.928 7.551 22 HB2 SER 3 HB2 SER 3 -16.886 2.093 6.407 23 HB3 SER 3 HB1 SER 3 -16.744 3.218 7.756 24 HG SER 3 HG SER 3 -16.238 1.500 9.110 25 H GLY 4 HN GLY 4 -20.767 1.928 6.594 26 HA2 GLY 4 HA2 GLY 4 -20.447 -0.924 5.917 27 HA3 GLY 4 HA1 GLY 4 -21.984 -0.129 6.181 28 H THR 5 HN THR 5 -20.621 2.167 4.502 29 HA THR 5 HA THR 5 -21.530 1.004 1.965 30 HB THR 5 HB THR 5 -21.689 3.480 1.270 31 HG1 THR 5 HG1 THR 5 -22.152 4.150 3.914 32 HG21 THR 5 HG21 THR 5 -23.917 3.702 2.288 33 HG22 THR 5 HG22 THR 5 -23.537 2.377 3.391 34 HG23 THR 5 HG23 THR 5 -23.645 2.077 1.656 35 H LYS 6 HN LYS 6 -19.233 3.532 3.007 36 HA LYS 6 HA LYS 6 -17.737 3.188 0.554 37 HB2 LYS 6 HB2 LYS 6 -17.213 5.015 2.902 38 HB3 LYS 6 HB1 LYS 6 -16.434 5.105 1.328 39 HG2 LYS 6 HG2 LYS 6 -18.614 5.581 0.298 40 HG3 LYS 6 HG1 LYS 6 -19.358 5.544 1.896 41 HD2 LYS 6 HD2 LYS 6 -17.200 7.451 1.001 42 HD3 LYS 6 HD1 LYS 6 -18.913 7.836 1.160 43 HE2 LYS 6 HE2 LYS 6 -18.752 7.245 3.575 44 HE3 LYS 6 HE1 LYS 6 -17.011 7.055 3.364 45 HZ1 LYS 6 HZ1 LYS 6 -16.940 9.386 2.610 46 HZ2 LYS 6 HZ2 LYS 6 -17.463 9.229 4.208 47 HZ3 LYS 6 HZ3 LYS 6 -18.582 9.544 2.980 48 H LYS 7 HN LYS 7 -17.791 1.200 2.918 49 HA LYS 7 HA LYS 7 -15.130 1.175 3.927 50 HB2 LYS 7 HB2 LYS 7 -15.715 -0.987 4.913 51 HB3 LYS 7 HB1 LYS 7 -16.957 0.211 5.218 52 HG2 LYS 7 HG2 LYS 7 -18.237 -1.599 4.691 53 HG3 LYS 7 HG1 LYS 7 -18.079 -0.847 3.106 54 HD2 LYS 7 HD2 LYS 7 -17.729 -3.224 2.906 55 HD3 LYS 7 HD1 LYS 7 -16.210 -2.385 2.601 56 HE2 LYS 7 HE2 LYS 7 -15.838 -4.346 3.985 57 HE3 LYS 7 HE1 LYS 7 -15.487 -2.881 4.896 58 HZ1 LYS 7 HZ1 LYS 7 -16.723 -4.441 6.229 59 HZ2 LYS 7 HZ2 LYS 7 -17.965 -4.504 5.085 60 HZ3 LYS 7 HZ3 LYS 7 -17.676 -3.075 5.938 61 H ARG 8 HN ARG 8 -16.245 0.506 0.901 62 HA ARG 8 HA ARG 8 -14.374 -1.647 0.350 63 HB2 ARG 8 HB2 ARG 8 -16.289 -0.118 -1.418 64 HB3 ARG 8 HB1 ARG 8 -15.176 -1.328 -2.027 65 HG2 ARG 8 HG2 ARG 8 -17.192 -2.467 -1.802 66 HG3 ARG 8 HG1 ARG 8 -16.285 -2.924 -0.361 67 HD2 ARG 8 HD2 ARG 8 -17.493 -1.163 0.896 68 HD3 ARG 8 HD1 ARG 8 -18.455 -0.839 -0.544 69 HE ARG 8 HE ARG 8 -18.473 -3.572 0.462 70 HH11 ARG 8 HH11 ARG 8 -20.090 -0.473 0.250 71 HH12 ARG 8 HH12 ARG 8 -21.641 -1.108 0.700 72 HH21 ARG 8 HH21 ARG 8 -20.513 -4.410 1.087 73 HH22 ARG 8 HH22 ARG 8 -21.882 -3.347 1.188 74 H ALA 9 HN ALA 9 -14.561 1.790 0.224 75 HA ALA 9 HA ALA 9 -12.438 2.145 -1.674 76 HB1 ALA 9 HB1 ALA 9 -13.685 4.092 0.261 77 HB2 ALA 9 HB2 ALA 9 -14.142 3.855 -1.426 78 HB3 ALA 9 HB3 ALA 9 -12.556 4.512 -1.026 79 H GLN 10 HN GLN 10 -12.738 2.102 1.838 80 HA GLN 10 HA GLN 10 -10.157 3.041 2.433 81 HB2 GLN 10 HB2 GLN 10 -10.503 2.076 4.666 82 HB3 GLN 10 HB1 GLN 10 -11.894 2.997 4.122 83 HG2 GLN 10 HG2 GLN 10 -12.883 1.161 5.077 84 HG3 GLN 10 HG1 GLN 10 -12.814 0.689 3.382 85 HE21 GLN 10 HE21 GLN 10 -12.869 -1.498 3.828 86 HE22 GLN 10 HE22 GLN 10 -11.536 -2.338 4.543 87 H ARG 11 HN ARG 11 -11.321 -0.106 1.512 88 HA ARG 11 HA ARG 11 -9.025 -1.545 2.395 89 HB2 ARG 11 HB2 ARG 11 -10.006 -3.441 1.474 90 HB3 ARG 11 HB1 ARG 11 -11.402 -2.443 1.856 91 HG2 ARG 11 HG2 ARG 11 -11.349 -1.662 -0.538 92 HG3 ARG 11 HG1 ARG 11 -10.161 -2.933 -0.834 93 HD2 ARG 11 HD2 ARG 11 -12.983 -3.279 0.156 94 HD3 ARG 11 HD1 ARG 11 -12.349 -3.734 -1.421 95 HE ARG 11 HE ARG 11 -10.879 -5.043 0.587 96 HH11 ARG 11 HH11 ARG 11 -14.004 -5.092 -0.996 97 HH12 ARG 11 HH12 ARG 11 -14.324 -6.746 -0.586 98 HH21 ARG 11 HH21 ARG 11 -11.287 -7.218 1.116 99 HH22 ARG 11 HH22 ARG 11 -12.773 -7.962 0.611 100 H ILE 12 HN ILE 12 -9.860 0.251 -0.448 101 HA ILE 12 HA ILE 12 -7.842 -0.761 -2.162 102 HB ILE 12 HB ILE 12 -9.151 1.969 -2.162 103 HG12 ILE 12 HG12 ILE 12 -9.811 -0.526 -3.744 104 HG13 ILE 12 HG11 ILE 12 -10.739 0.083 -2.378 105 HG21 ILE 12 HG21 ILE 12 -7.064 1.967 -3.422 106 HG22 ILE 12 HG22 ILE 12 -8.451 2.095 -4.504 107 HG23 ILE 12 HG23 ILE 12 -7.605 0.557 -4.334 108 HD11 ILE 12 HD11 ILE 12 -11.796 0.655 -4.477 109 HD12 ILE 12 HD12 ILE 12 -10.332 1.481 -5.009 110 HD13 ILE 12 HD13 ILE 12 -11.251 2.110 -3.642 111 H LEU 13 HN LEU 13 -7.992 1.914 0.141 112 HA LEU 13 HA LEU 13 -5.434 2.940 -0.271 113 HB2 LEU 13 HB2 LEU 13 -7.367 3.019 1.993 114 HB3 LEU 13 HB1 LEU 13 -5.723 3.554 2.279 115 HG LEU 13 HG LEU 13 -5.964 5.227 0.481 116 HD11 LEU 13 HD11 LEU 13 -8.818 4.276 0.382 117 HD12 LEU 13 HD12 LEU 13 -7.613 4.106 -0.894 118 HD13 LEU 13 HD13 LEU 13 -8.182 5.707 -0.427 119 HD21 LEU 13 HD21 LEU 13 -7.471 6.723 1.683 120 HD22 LEU 13 HD22 LEU 13 -6.415 5.846 2.789 121 HD23 LEU 13 HD23 LEU 13 -8.099 5.355 2.603 122 H ILE 14 HN ILE 14 -6.563 0.220 1.618 123 HA ILE 14 HA ILE 14 -4.199 -0.359 3.019 124 HB ILE 14 HB ILE 14 -6.222 -2.328 1.918 125 HG12 ILE 14 HG12 ILE 14 -6.084 -0.959 4.616 126 HG13 ILE 14 HG11 ILE 14 -7.249 -0.604 3.347 127 HG21 ILE 14 HG21 ILE 14 -4.232 -2.630 4.166 128 HG22 ILE 14 HG22 ILE 14 -4.117 -3.385 2.577 129 HG23 ILE 14 HG23 ILE 14 -5.426 -3.828 3.672 130 HD11 ILE 14 HD11 ILE 14 -8.095 -2.919 3.545 131 HD12 ILE 14 HD12 ILE 14 -8.283 -1.968 5.019 132 HD13 ILE 14 HD13 ILE 14 -6.994 -3.165 4.901 133 H PHE 15 HN PHE 15 -5.366 -1.483 -0.138 134 HA PHE 15 HA PHE 15 -3.138 -3.041 -0.835 135 HB2 PHE 15 HB2 PHE 15 -4.881 -1.486 -2.755 136 HB3 PHE 15 HB1 PHE 15 -3.952 -2.936 -3.102 137 HD1 PHE 15 HD2 PHE 15 -4.749 -4.417 -0.523 138 HD2 PHE 15 HD1 PHE 15 -6.981 -2.291 -3.456 139 HE1 PHE 15 HE2 PHE 15 -6.731 -5.765 0.010 140 HE2 PHE 15 HE1 PHE 15 -8.968 -3.639 -2.926 141 HZ PHE 15 HZ PHE 15 -8.843 -5.383 -1.192 142 H LEU 16 HN LEU 16 -3.917 0.343 -1.474 143 HA LEU 16 HA LEU 16 -1.667 1.021 -2.986 144 HB2 LEU 16 HB2 LEU 16 -3.091 2.813 -1.020 145 HB3 LEU 16 HB1 LEU 16 -2.124 3.321 -2.391 146 HG LEU 16 HG LEU 16 -4.772 1.890 -2.510 147 HD11 LEU 16 HD11 LEU 16 -3.989 4.709 -3.226 148 HD12 LEU 16 HD12 LEU 16 -4.976 4.216 -1.852 149 HD13 LEU 16 HD13 LEU 16 -5.575 3.984 -3.493 150 HD21 LEU 16 HD21 LEU 16 -3.010 2.885 -4.745 151 HD22 LEU 16 HD22 LEU 16 -4.635 2.227 -4.928 152 HD23 LEU 16 HD23 LEU 16 -3.328 1.198 -4.345 153 H LEU 17 HN LEU 17 -2.213 1.335 0.512 154 HA LEU 17 HA LEU 17 0.255 2.387 1.212 155 HB2 LEU 17 HB2 LEU 17 -1.630 2.263 2.745 156 HB3 LEU 17 HB1 LEU 17 -1.518 0.513 2.773 157 HG LEU 17 HG LEU 17 0.653 0.647 3.882 158 HD11 LEU 17 HD11 LEU 17 1.466 2.718 2.929 159 HD12 LEU 17 HD12 LEU 17 1.488 2.811 4.691 160 HD13 LEU 17 HD13 LEU 17 0.217 3.627 3.779 161 HD21 LEU 17 HD21 LEU 17 -0.121 1.526 6.025 162 HD22 LEU 17 HD22 LEU 17 -1.370 0.563 5.235 163 HD23 LEU 17 HD23 LEU 17 -1.468 2.322 5.211 164 H GLU 18 HN GLU 18 -0.719 -1.036 1.239 165 HA GLU 18 HA GLU 18 1.722 -2.131 1.987 166 HB2 GLU 18 HB2 GLU 18 -0.356 -3.308 0.135 167 HB3 GLU 18 HB1 GLU 18 0.929 -4.213 0.920 168 HG2 GLU 18 HG2 GLU 18 -1.273 -2.727 2.333 169 HG3 GLU 18 HG1 GLU 18 -1.228 -4.465 2.047 170 H PHE 19 HN PHE 19 0.530 -1.328 -1.253 171 HA PHE 19 HA PHE 19 2.781 -2.322 -2.663 172 HB2 PHE 19 HB2 PHE 19 0.604 -1.885 -3.736 173 HB3 PHE 19 HB1 PHE 19 0.818 -0.161 -3.462 174 HD1 PHE 19 HD1 PHE 19 2.315 -3.076 -5.193 175 HD2 PHE 19 HD2 PHE 19 1.926 1.157 -5.031 176 HE1 PHE 19 HE1 PHE 19 3.487 -2.890 -7.346 177 HE2 PHE 19 HE2 PHE 19 3.100 1.350 -7.184 178 HZ PHE 19 HZ PHE 19 3.883 -0.676 -8.343 179 H LEU 20 HN LEU 20 1.901 0.902 -1.490 180 HA LEU 20 HA LEU 20 4.100 2.299 -2.487 181 HB2 LEU 20 HB2 LEU 20 2.118 2.716 -0.332 182 HB3 LEU 20 HB1 LEU 20 3.581 3.673 -0.239 183 HG LEU 20 HG LEU 20 3.115 4.790 -2.269 184 HD11 LEU 20 HD11 LEU 20 0.909 2.788 -2.746 185 HD12 LEU 20 HD12 LEU 20 2.432 2.892 -3.631 186 HD13 LEU 20 HD13 LEU 20 1.253 4.198 -3.749 187 HD21 LEU 20 HD21 LEU 20 1.794 5.572 -0.402 188 HD22 LEU 20 HD22 LEU 20 0.540 4.389 -0.766 189 HD23 LEU 20 HD23 LEU 20 0.866 5.702 -1.895 190 H LEU 21 HN LEU 21 3.723 0.542 0.580 191 HA LEU 21 HA LEU 21 6.220 1.257 1.685 192 HB2 LEU 21 HB2 LEU 21 4.739 -1.349 2.060 193 HB3 LEU 21 HB1 LEU 21 5.958 -0.679 3.128 194 HG LEU 21 HG LEU 21 3.263 0.545 2.588 195 HD11 LEU 21 HD11 LEU 21 3.078 -1.539 3.835 196 HD12 LEU 21 HD12 LEU 21 2.708 -0.154 4.861 197 HD13 LEU 21 HD13 LEU 21 4.270 -0.960 4.998 198 HD21 LEU 21 HD21 LEU 21 3.819 2.006 4.487 199 HD22 LEU 21 HD22 LEU 21 4.930 2.221 3.135 200 HD23 LEU 21 HD23 LEU 21 5.431 1.292 4.549 201 H ASP 22 HN ASP 22 5.214 -1.357 -0.420 202 HA ASP 22 HA ASP 22 7.682 -2.743 -0.480 203 HB2 ASP 22 HB2 ASP 22 5.595 -3.802 -1.182 204 HB3 ASP 22 HB1 ASP 22 5.451 -2.672 -2.523 205 H PHE 23 HN PHE 23 6.268 -0.323 -2.637 206 HA PHE 23 HA PHE 23 8.458 -0.350 -4.471 207 HB2 PHE 23 HB2 PHE 23 6.090 0.279 -5.023 208 HB3 PHE 23 HB1 PHE 23 6.330 1.770 -4.123 209 HD1 PHE 23 HD1 PHE 23 7.396 -0.138 -7.090 210 HD2 PHE 23 HD2 PHE 23 7.446 3.621 -5.094 211 HE1 PHE 23 HE1 PHE 23 8.265 0.930 -9.129 212 HE2 PHE 23 HE2 PHE 23 8.315 4.694 -7.128 213 HZ PHE 23 HZ PHE 23 8.723 3.349 -9.150 214 H CYS 24 HN CYS 24 7.699 1.420 -1.583 215 HA CYS 24 HA CYS 24 9.240 3.725 -1.986 216 HB2 CYS 24 HB2 CYS 24 7.516 3.515 -0.241 217 HB3 CYS 24 HB1 CYS 24 8.533 2.368 0.621 218 HG CYS 24 HG CYS 24 10.511 4.795 0.356 219 H THR 25 HN THR 25 10.169 0.516 -0.947 220 HA THR 25 HA THR 25 12.583 1.255 0.326 221 HB THR 25 HB THR 25 11.414 -0.976 0.580 222 HG1 THR 25 HG1 THR 25 13.467 -0.775 1.429 223 HG21 THR 25 HG21 THR 25 11.077 -1.510 -1.772 224 HG22 THR 25 HG22 THR 25 12.052 -2.757 -0.993 225 HG23 THR 25 HG23 THR 25 12.822 -1.554 -2.028 226 H GLY 26 HN GLY 26 11.680 0.902 -2.979 227 HA2 GLY 26 HA2 GLY 26 12.841 1.800 -4.782 228 HA3 GLY 26 HA1 GLY 26 14.256 1.964 -3.759 229 H GLU 27 HN GLU 27 14.686 1.123 -6.237 230 HA GLU 27 HA GLU 27 14.896 -1.782 -6.212 231 HB2 GLU 27 HB2 GLU 27 15.822 0.239 -8.267 232 HB3 GLU 27 HB1 GLU 27 15.821 -1.508 -8.473 233 HG2 GLU 27 HG2 GLU 27 13.411 -1.560 -8.332 234 HG3 GLU 27 HG1 GLU 27 13.369 0.175 -8.021 235 H ASP 28 HN ASP 28 17.137 0.933 -6.762 236 HA ASP 28 HA ASP 28 19.398 -0.553 -5.787 237 HB2 ASP 28 HB2 ASP 28 19.023 2.390 -6.394 238 HB3 ASP 28 HB1 ASP 28 20.550 1.687 -5.877 239 H SER 29 HN SER 29 16.897 1.331 -4.496 240 HA SER 29 HA SER 29 16.232 1.846 -2.408 241 HB2 SER 29 HB2 SER 29 17.051 -0.539 -1.979 242 HB3 SER 29 HB1 SER 29 18.520 0.193 -1.335 243 HG SER 29 HG SER 29 15.868 0.680 -0.418 244 H VAL 30 HN VAL 30 17.797 2.296 -0.061 245 HA VAL 30 HA VAL 30 18.988 4.824 -0.826 246 HB VAL 30 HB VAL 30 19.060 5.271 1.597 247 HG11 VAL 30 HG11 VAL 30 16.625 5.346 1.961 248 HG12 VAL 30 HG12 VAL 30 16.405 4.292 0.564 249 HG13 VAL 30 HG13 VAL 30 17.085 5.907 0.353 250 HG21 VAL 30 HG21 VAL 30 19.417 3.013 2.415 251 HG22 VAL 30 HG22 VAL 30 17.816 2.539 1.850 252 HG23 VAL 30 HG23 VAL 30 17.978 3.712 3.156 253 H ASP 31 HN ASP 31 20.083 1.828 -0.736 254 HA ASP 31 HA ASP 31 22.635 2.398 0.565 255 HB2 ASP 31 HB2 ASP 31 21.593 0.242 1.074 256 HB3 ASP 31 HB1 ASP 31 21.579 -0.166 -0.639 257 H GLY 32 HN GLY 32 21.616 0.870 -2.478 258 HA2 GLY 32 HA2 GLY 32 22.214 1.303 -4.647 259 HA3 GLY 32 HA1 GLY 32 23.008 2.762 -4.085 260 H LYS 33 HN LYS 33 24.190 0.100 -2.398 261 HA LYS 33 HA LYS 33 26.560 0.126 -4.144 262 HB2 LYS 33 HB2 LYS 33 26.381 -0.578 -1.211 263 HB3 LYS 33 HB1 LYS 33 27.855 -0.469 -2.164 264 HG2 LYS 33 HG2 LYS 33 27.545 1.896 -2.461 265 HG3 LYS 33 HG1 LYS 33 25.980 1.826 -1.651 266 HD2 LYS 33 HD2 LYS 33 27.168 1.008 0.391 267 HD3 LYS 33 HD1 LYS 33 28.692 1.326 -0.439 268 HE2 LYS 33 HE2 LYS 33 28.062 3.180 1.032 269 HE3 LYS 33 HE1 LYS 33 28.105 3.675 -0.661 270 HZ1 LYS 33 HZ1 LYS 33 25.697 3.458 -0.745 271 HZ2 LYS 33 HZ2 LYS 33 26.156 4.545 0.465 272 HZ3 LYS 33 HZ3 LYS 33 25.659 2.986 0.880 273 H LYS 34 HN LYS 34 24.072 -1.591 -4.216 274 HA LYS 34 HA LYS 34 24.789 -4.229 -3.542 275 HB2 LYS 34 HB2 LYS 34 23.002 -4.852 -5.231 276 HB3 LYS 34 HB1 LYS 34 22.490 -3.814 -3.912 277 HG2 LYS 34 HG2 LYS 34 22.663 -1.863 -5.403 278 HG3 LYS 34 HG1 LYS 34 23.120 -2.939 -6.724 279 HD2 LYS 34 HD2 LYS 34 20.531 -3.120 -5.185 280 HD3 LYS 34 HD1 LYS 34 20.714 -2.299 -6.735 281 HE2 LYS 34 HE2 LYS 34 21.281 -5.218 -6.238 282 HE3 LYS 34 HE1 LYS 34 19.803 -4.582 -6.955 283 HZ1 LYS 34 HZ1 LYS 34 21.096 -3.704 -8.783 284 HZ2 LYS 34 HZ2 LYS 34 21.364 -5.366 -8.630 285 HZ3 LYS 34 HZ3 LYS 34 22.530 -4.270 -8.092 286 H ARG 35 HN ARG 35 26.434 -5.322 -4.296 287 HA ARG 35 HA ARG 35 28.044 -6.176 -5.643 288 HB2 ARG 35 HB2 ARG 35 26.085 -5.463 -7.831 289 HB3 ARG 35 HB1 ARG 35 27.539 -6.416 -8.077 290 HG2 ARG 35 HG2 ARG 35 25.214 -7.159 -6.312 291 HG3 ARG 35 HG1 ARG 35 25.578 -7.833 -7.903 292 HD2 ARG 35 HD2 ARG 35 27.310 -8.040 -5.442 293 HD3 ARG 35 HD1 ARG 35 26.324 -9.329 -6.129 294 HE ARG 35 HE ARG 35 27.903 -8.683 -8.196 295 HH11 ARG 35 HH11 ARG 35 28.641 -9.317 -4.833 296 HH12 ARG 35 HH12 ARG 35 30.211 -9.978 -5.167 297 HH21 ARG 35 HH21 ARG 35 29.973 -9.544 -8.640 298 HH22 ARG 35 HH22 ARG 35 30.960 -10.113 -7.336 299 H GLN 36 HN GLN 36 28.033 -3.365 -4.908 300 HA GLN 36 HA GLN 36 29.611 -2.231 -7.117 301 HB2 GLN 36 HB2 GLN 36 27.609 -0.922 -6.510 302 HB3 GLN 36 HB1 GLN 36 28.190 -0.812 -4.856 303 HG2 GLN 36 HG2 GLN 36 30.069 0.515 -5.545 304 HG3 GLN 36 HG1 GLN 36 29.642 0.302 -7.241 305 HE21 GLN 36 HE21 GLN 36 28.873 1.913 -4.271 306 HE22 GLN 36 HE22 GLN 36 27.779 3.071 -4.946 Start of MODEL 16 1 H1 THR 1 HT1 THR 1 -18.462 -6.372 3.544 2 H2 THR 1 HT2 THR 1 -18.102 -7.388 2.243 3 H3 THR 1 HT3 THR 1 -17.417 -7.685 3.755 4 HA THR 1 HA THR 1 -20.285 -7.865 3.059 5 HB THR 1 HB THR 1 -18.320 -10.051 3.792 6 HG1 THR 1 HG1 THR 1 -19.505 -9.318 1.292 7 HG21 THR 1 HG21 THR 1 -20.596 -10.555 4.516 8 HG22 THR 1 HG22 THR 1 -20.141 -11.573 3.150 9 HG23 THR 1 HG23 THR 1 -21.203 -10.189 2.902 10 H TRP 2 HN TRP 2 -17.829 -7.702 5.536 11 HA TRP 2 HA TRP 2 -19.949 -7.874 7.568 12 HB2 TRP 2 HB2 TRP 2 -17.056 -8.723 7.751 13 HB3 TRP 2 HB1 TRP 2 -18.108 -8.559 9.153 14 HD1 TRP 2 HD1 TRP 2 -17.561 -10.753 6.067 15 HE1 TRP 2 HE1 TRP 2 -18.846 -12.961 6.388 16 HE3 TRP 2 HE3 TRP 2 -20.100 -9.598 10.352 17 HZ2 TRP 2 HZ2 TRP 2 -20.683 -14.066 8.222 18 HZ3 TRP 2 HZ3 TRP 2 -21.597 -11.290 11.327 19 HH2 TRP 2 HH2 TRP 2 -21.882 -13.476 10.281 20 H SER 3 HN SER 3 -20.379 -5.681 7.438 21 HA SER 3 HA SER 3 -20.217 -3.478 7.928 22 HB2 SER 3 HB2 SER 3 -17.942 -4.357 9.726 23 HB3 SER 3 HB1 SER 3 -18.803 -2.820 9.817 24 HG SER 3 HG SER 3 -20.747 -4.229 10.076 25 H GLY 4 HN GLY 4 -19.062 -4.186 5.565 26 HA2 GLY 4 HA2 GLY 4 -16.529 -2.670 5.525 27 HA3 GLY 4 HA1 GLY 4 -16.828 -4.068 4.508 28 H THR 5 HN THR 5 -19.430 -1.843 4.975 29 HA THR 5 HA THR 5 -19.604 -1.277 2.205 30 HB THR 5 HB THR 5 -21.251 0.545 3.084 31 HG1 THR 5 HG1 THR 5 -21.914 -0.526 5.311 32 HG21 THR 5 HG21 THR 5 -22.979 -1.167 3.444 33 HG22 THR 5 HG22 THR 5 -21.721 -2.395 3.587 34 HG23 THR 5 HG23 THR 5 -21.958 -1.551 2.058 35 H LYS 6 HN LYS 6 -18.767 0.782 4.985 36 HA LYS 6 HA LYS 6 -17.813 2.906 3.281 37 HB2 LYS 6 HB2 LYS 6 -17.645 2.498 6.269 38 HB3 LYS 6 HB1 LYS 6 -17.091 3.941 5.435 39 HG2 LYS 6 HG2 LYS 6 -19.358 4.391 4.674 40 HG3 LYS 6 HG1 LYS 6 -19.923 2.919 5.465 41 HD2 LYS 6 HD2 LYS 6 -20.385 4.914 6.819 42 HD3 LYS 6 HD1 LYS 6 -19.274 3.812 7.635 43 HE2 LYS 6 HE2 LYS 6 -17.385 5.195 6.955 44 HE3 LYS 6 HE1 LYS 6 -18.473 6.277 6.093 45 HZ1 LYS 6 HZ1 LYS 6 -17.879 7.171 8.243 46 HZ2 LYS 6 HZ2 LYS 6 -18.470 5.787 9.018 47 HZ3 LYS 6 HZ3 LYS 6 -19.532 6.814 8.201 48 H LYS 7 HN LYS 7 -16.599 -0.006 3.877 49 HA LYS 7 HA LYS 7 -13.828 0.899 4.219 50 HB2 LYS 7 HB2 LYS 7 -14.934 -1.899 4.500 51 HB3 LYS 7 HB1 LYS 7 -13.299 -1.381 4.878 52 HG2 LYS 7 HG2 LYS 7 -15.811 -0.527 6.301 53 HG3 LYS 7 HG1 LYS 7 -14.600 -1.658 6.900 54 HD2 LYS 7 HD2 LYS 7 -14.107 1.252 6.273 55 HD3 LYS 7 HD1 LYS 7 -14.366 0.588 7.885 56 HE2 LYS 7 HE2 LYS 7 -12.116 -0.170 6.024 57 HE3 LYS 7 HE1 LYS 7 -11.985 0.948 7.377 58 HZ1 LYS 7 HZ1 LYS 7 -11.195 -1.241 7.980 59 HZ2 LYS 7 HZ2 LYS 7 -12.686 -1.930 7.572 60 HZ3 LYS 7 HZ3 LYS 7 -12.581 -0.858 8.873 61 H ARG 8 HN ARG 8 -15.772 0.545 1.767 62 HA ARG 8 HA ARG 8 -14.411 -1.316 0.077 63 HB2 ARG 8 HB2 ARG 8 -16.821 -0.414 -0.140 64 HB3 ARG 8 HB1 ARG 8 -16.098 1.018 -0.848 65 HG2 ARG 8 HG2 ARG 8 -15.733 -1.760 -1.948 66 HG3 ARG 8 HG1 ARG 8 -16.984 -0.643 -2.484 67 HD2 ARG 8 HD2 ARG 8 -14.003 -0.249 -2.673 68 HD3 ARG 8 HD1 ARG 8 -15.111 -0.570 -4.006 69 HE ARG 8 HE ARG 8 -16.049 1.728 -2.828 70 HH11 ARG 8 HH11 ARG 8 -13.049 0.710 -4.315 71 HH12 ARG 8 HH12 ARG 8 -12.603 2.309 -4.815 72 HH21 ARG 8 HH21 ARG 8 -15.463 3.839 -3.497 73 HH22 ARG 8 HH22 ARG 8 -13.983 4.085 -4.370 74 H ALA 9 HN ALA 9 -14.358 2.204 0.487 75 HA ALA 9 HA ALA 9 -12.273 2.619 -1.421 76 HB1 ALA 9 HB1 ALA 9 -13.857 4.384 -0.778 77 HB2 ALA 9 HB2 ALA 9 -12.182 4.877 -0.533 78 HB3 ALA 9 HB3 ALA 9 -13.170 4.394 0.846 79 H GLN 10 HN GLN 10 -12.434 2.195 2.064 80 HA GLN 10 HA GLN 10 -9.748 2.762 2.650 81 HB2 GLN 10 HB2 GLN 10 -11.815 1.104 4.081 82 HB3 GLN 10 HB1 GLN 10 -10.203 1.366 4.726 83 HG2 GLN 10 HG2 GLN 10 -12.173 3.540 4.064 84 HG3 GLN 10 HG1 GLN 10 -11.867 2.897 5.678 85 HE21 GLN 10 HE21 GLN 10 -9.904 3.346 6.691 86 HE22 GLN 10 HE22 GLN 10 -8.877 4.633 6.164 87 H ARG 11 HN ARG 11 -11.346 -0.213 1.631 88 HA ARG 11 HA ARG 11 -9.192 -1.939 2.234 89 HB2 ARG 11 HB2 ARG 11 -10.327 -3.614 1.018 90 HB3 ARG 11 HB1 ARG 11 -11.595 -2.612 1.707 91 HG2 ARG 11 HG2 ARG 11 -11.824 -1.466 -0.458 92 HG3 ARG 11 HG1 ARG 11 -10.618 -2.564 -1.134 93 HD2 ARG 11 HD2 ARG 11 -13.245 -3.385 0.092 94 HD3 ARG 11 HD1 ARG 11 -12.913 -3.281 -1.634 95 HE ARG 11 HE ARG 11 -11.019 -4.970 -0.406 96 HH11 ARG 11 HH11 ARG 11 -14.414 -4.889 -1.234 97 HH12 ARG 11 HH12 ARG 11 -14.530 -6.602 -1.476 98 HH21 ARG 11 HH21 ARG 11 -11.160 -7.228 -0.724 99 HH22 ARG 11 HH22 ARG 11 -12.679 -7.933 -1.174 100 H ILE 12 HN ILE 12 -9.973 0.039 -0.553 101 HA ILE 12 HA ILE 12 -7.916 -0.962 -2.241 102 HB ILE 12 HB ILE 12 -9.310 1.726 -2.277 103 HG12 ILE 12 HG12 ILE 12 -10.867 -0.137 -2.569 104 HG13 ILE 12 HG11 ILE 12 -10.673 0.741 -4.081 105 HG21 ILE 12 HG21 ILE 12 -7.196 1.823 -3.473 106 HG22 ILE 12 HG22 ILE 12 -8.549 1.889 -4.602 107 HG23 ILE 12 HG23 ILE 12 -7.638 0.392 -4.406 108 HD11 ILE 12 HD11 ILE 12 -9.383 -1.880 -3.365 109 HD12 ILE 12 HD12 ILE 12 -9.123 -0.992 -4.864 110 HD13 ILE 12 HD13 ILE 12 -10.719 -1.635 -4.487 111 H LEU 13 HN LEU 13 -8.199 1.762 -0.013 112 HA LEU 13 HA LEU 13 -5.730 2.944 -0.306 113 HB2 LEU 13 HB2 LEU 13 -7.483 3.883 1.085 114 HB3 LEU 13 HB1 LEU 13 -7.355 2.541 2.205 115 HG LEU 13 HG LEU 13 -5.065 3.280 2.793 116 HD11 LEU 13 HD11 LEU 13 -5.715 5.619 1.008 117 HD12 LEU 13 HD12 LEU 13 -4.462 4.408 0.738 118 HD13 LEU 13 HD13 LEU 13 -4.334 5.522 2.100 119 HD21 LEU 13 HD21 LEU 13 -5.743 5.241 4.083 120 HD22 LEU 13 HD22 LEU 13 -6.972 3.977 4.140 121 HD23 LEU 13 HD23 LEU 13 -7.200 5.384 3.101 122 H ILE 14 HN ILE 14 -6.615 0.171 1.727 123 HA ILE 14 HA ILE 14 -4.152 -0.260 2.960 124 HB ILE 14 HB ILE 14 -6.107 -2.398 2.097 125 HG12 ILE 14 HG12 ILE 14 -7.268 -0.644 3.330 126 HG13 ILE 14 HG11 ILE 14 -7.116 -2.081 4.325 127 HG21 ILE 14 HG21 ILE 14 -4.096 -2.343 4.346 128 HG22 ILE 14 HG22 ILE 14 -3.952 -3.266 2.852 129 HG23 ILE 14 HG23 ILE 14 -5.231 -3.648 4.003 130 HD11 ILE 14 HD11 ILE 14 -5.247 -1.058 5.516 131 HD12 ILE 14 HD12 ILE 14 -6.710 -0.081 5.623 132 HD13 ILE 14 HD13 ILE 14 -5.416 0.388 4.522 133 H PHE 15 HN PHE 15 -5.395 -1.448 -0.124 134 HA PHE 15 HA PHE 15 -3.182 -3.134 -0.709 135 HB2 PHE 15 HB2 PHE 15 -5.225 -1.907 -2.576 136 HB3 PHE 15 HB1 PHE 15 -4.150 -3.235 -2.967 137 HD1 PHE 15 HD1 PHE 15 -4.501 -4.527 -0.126 138 HD2 PHE 15 HD2 PHE 15 -7.195 -3.153 -3.120 139 HE1 PHE 15 HE1 PHE 15 -6.199 -6.107 0.682 140 HE2 PHE 15 HE2 PHE 15 -8.898 -4.733 -2.317 141 HZ PHE 15 HZ PHE 15 -8.401 -6.216 -0.415 142 H LEU 16 HN LEU 16 -4.008 0.183 -1.548 143 HA LEU 16 HA LEU 16 -1.817 0.641 -3.287 144 HB2 LEU 16 HB2 LEU 16 -3.213 2.676 -1.544 145 HB3 LEU 16 HB1 LEU 16 -2.283 2.998 -2.993 146 HG LEU 16 HG LEU 16 -4.920 1.539 -2.878 147 HD11 LEU 16 HD11 LEU 16 -5.784 3.508 -4.055 148 HD12 LEU 16 HD12 LEU 16 -4.212 4.285 -3.890 149 HD13 LEU 16 HD13 LEU 16 -5.164 3.914 -2.455 150 HD21 LEU 16 HD21 LEU 16 -3.529 0.678 -4.672 151 HD22 LEU 16 HD22 LEU 16 -3.211 2.319 -5.236 152 HD23 LEU 16 HD23 LEU 16 -4.841 1.655 -5.332 153 H LEU 17 HN LEU 17 -2.341 1.332 0.138 154 HA LEU 17 HA LEU 17 0.110 2.557 0.676 155 HB2 LEU 17 HB2 LEU 17 -2.078 2.329 2.075 156 HB3 LEU 17 HB1 LEU 17 -1.333 0.872 2.697 157 HG LEU 17 HG LEU 17 -0.032 3.588 2.884 158 HD11 LEU 17 HD11 LEU 17 -1.737 2.155 4.916 159 HD12 LEU 17 HD12 LEU 17 -2.150 3.648 4.073 160 HD13 LEU 17 HD13 LEU 17 -0.802 3.621 5.210 161 HD21 LEU 17 HD21 LEU 17 1.505 1.729 3.098 162 HD22 LEU 17 HD22 LEU 17 0.467 0.977 4.308 163 HD23 LEU 17 HD23 LEU 17 1.276 2.505 4.665 164 H GLU 18 HN GLU 18 -0.843 -0.866 1.002 165 HA GLU 18 HA GLU 18 1.578 -1.780 2.093 166 HB2 GLU 18 HB2 GLU 18 0.833 -4.001 1.541 167 HB3 GLU 18 HB1 GLU 18 -0.559 -3.065 2.049 168 HG2 GLU 18 HG2 GLU 18 -1.286 -2.809 -0.207 169 HG3 GLU 18 HG1 GLU 18 0.189 -3.558 -0.813 170 H PHE 19 HN PHE 19 0.574 -1.200 -1.189 171 HA PHE 19 HA PHE 19 2.805 -2.504 -2.410 172 HB2 PHE 19 HB2 PHE 19 0.666 -2.184 -3.593 173 HB3 PHE 19 HB1 PHE 19 0.903 -0.442 -3.545 174 HD1 PHE 19 HD2 PHE 19 2.089 -3.592 -5.014 175 HD2 PHE 19 HD1 PHE 19 2.395 0.652 -5.049 176 HE1 PHE 19 HE2 PHE 19 3.336 -3.701 -7.130 177 HE2 PHE 19 HE1 PHE 19 3.644 0.549 -7.162 178 HZ PHE 19 HZ PHE 19 4.116 -1.629 -8.205 179 H LEU 20 HN LEU 20 1.961 0.858 -1.678 180 HA LEU 20 HA LEU 20 4.158 2.058 -2.927 181 HB2 LEU 20 HB2 LEU 20 2.550 2.993 -0.553 182 HB3 LEU 20 HB1 LEU 20 3.672 3.994 -1.455 183 HG LEU 20 HG LEU 20 1.204 2.708 -2.623 184 HD11 LEU 20 HD11 LEU 20 1.700 5.558 -1.784 185 HD12 LEU 20 HD12 LEU 20 0.622 4.411 -0.989 186 HD13 LEU 20 HD13 LEU 20 0.269 4.963 -2.628 187 HD21 LEU 20 HD21 LEU 20 2.955 3.057 -4.273 188 HD22 LEU 20 HD22 LEU 20 3.133 4.734 -3.754 189 HD23 LEU 20 HD23 LEU 20 1.637 4.203 -4.520 190 H LEU 21 HN LEU 21 3.784 0.884 0.406 191 HA LEU 21 HA LEU 21 6.339 1.816 1.234 192 HB2 LEU 21 HB2 LEU 21 6.016 0.481 3.232 193 HB3 LEU 21 HB1 LEU 21 4.570 1.389 2.851 194 HG LEU 21 HG LEU 21 3.835 -0.853 1.702 195 HD11 LEU 21 HD11 LEU 21 5.810 -1.811 3.765 196 HD12 LEU 21 HD12 LEU 21 5.943 -2.022 2.019 197 HD13 LEU 21 HD13 LEU 21 4.644 -2.819 2.907 198 HD21 LEU 21 HD21 LEU 21 2.785 -1.535 3.817 199 HD22 LEU 21 HD22 LEU 21 2.666 0.201 3.544 200 HD23 LEU 21 HD23 LEU 21 3.849 -0.431 4.685 201 H ASP 22 HN ASP 22 5.188 -1.103 -0.271 202 HA ASP 22 HA ASP 22 7.601 -2.602 0.077 203 HB2 ASP 22 HB2 ASP 22 5.464 -3.732 -0.303 204 HB3 ASP 22 HB1 ASP 22 5.316 -2.963 -1.878 205 H PHE 23 HN PHE 23 6.240 -0.537 -2.412 206 HA PHE 23 HA PHE 23 8.235 -0.829 -4.361 207 HB2 PHE 23 HB2 PHE 23 6.056 0.304 -4.727 208 HB3 PHE 23 HB1 PHE 23 6.586 1.624 -3.691 209 HD1 PHE 23 HD1 PHE 23 7.081 -0.039 -6.925 210 HD2 PHE 23 HD2 PHE 23 8.065 3.313 -4.497 211 HE1 PHE 23 HE1 PHE 23 8.038 1.095 -8.884 212 HE2 PHE 23 HE2 PHE 23 9.024 4.454 -6.455 213 HZ PHE 23 HZ PHE 23 9.009 3.344 -8.651 214 H CYS 24 HN CYS 24 8.006 1.197 -1.491 215 HA CYS 24 HA CYS 24 10.375 2.687 -1.990 216 HB2 CYS 24 HB2 CYS 24 8.892 2.189 0.599 217 HB3 CYS 24 HB1 CYS 24 10.169 3.380 0.379 218 HG CYS 24 HG CYS 24 7.041 3.407 -0.990 219 H THR 25 HN THR 25 9.768 0.244 0.563 220 HA THR 25 HA THR 25 12.653 -0.290 0.555 221 HB THR 25 HB THR 25 12.192 -1.442 2.748 222 HG1 THR 25 HG1 THR 25 10.200 -1.563 3.462 223 HG21 THR 25 HG21 THR 25 11.446 1.477 2.557 224 HG22 THR 25 HG22 THR 25 13.084 0.831 2.654 225 HG23 THR 25 HG23 THR 25 11.980 0.644 4.018 226 H GLY 26 HN GLY 26 9.657 -2.164 1.058 227 HA2 GLY 26 HA2 GLY 26 9.161 -3.949 -0.567 228 HA3 GLY 26 HA1 GLY 26 10.881 -4.304 -0.568 229 H GLU 27 HN GLU 27 8.118 -5.571 0.355 230 HA GLU 27 HA GLU 27 9.227 -6.676 2.858 231 HB2 GLU 27 HB2 GLU 27 6.343 -6.658 1.944 232 HB3 GLU 27 HB1 GLU 27 6.940 -7.292 3.470 233 HG2 GLU 27 HG2 GLU 27 7.712 -5.011 4.051 234 HG3 GLU 27 HG1 GLU 27 6.948 -4.422 2.576 235 H ASP 28 HN ASP 28 7.432 -7.500 -0.084 236 HA ASP 28 HA ASP 28 8.757 -10.124 -0.063 237 HB2 ASP 28 HB2 ASP 28 6.387 -10.329 0.750 238 HB3 ASP 28 HB1 ASP 28 5.850 -9.709 -0.804 239 H SER 29 HN SER 29 8.434 -7.294 -1.539 240 HA SER 29 HA SER 29 8.951 -6.455 -3.560 241 HB2 SER 29 HB2 SER 29 9.549 -9.311 -4.348 242 HB3 SER 29 HB1 SER 29 10.025 -7.863 -5.225 243 HG SER 29 HG SER 29 10.779 -7.926 -2.569 244 H VAL 30 HN VAL 30 8.344 -6.796 -6.032 245 HA VAL 30 HA VAL 30 5.513 -7.592 -6.070 246 HB VAL 30 HB VAL 30 6.033 -5.171 -6.463 247 HG11 VAL 30 HG11 VAL 30 7.241 -6.156 -9.036 248 HG12 VAL 30 HG12 VAL 30 8.108 -5.408 -7.697 249 HG13 VAL 30 HG13 VAL 30 6.932 -4.471 -8.617 250 HG21 VAL 30 HG21 VAL 30 4.682 -6.655 -8.709 251 HG22 VAL 30 HG22 VAL 30 4.537 -4.922 -8.408 252 HG23 VAL 30 HG23 VAL 30 3.936 -6.078 -7.218 253 H ASP 31 HN ASP 31 7.639 -9.434 -6.362 254 HA ASP 31 HA ASP 31 8.029 -10.002 -9.158 255 HB2 ASP 31 HB2 ASP 31 9.737 -10.511 -7.389 256 HB3 ASP 31 HB1 ASP 31 8.663 -11.769 -6.785 257 H GLY 32 HN GLY 32 5.581 -10.537 -6.944 258 HA2 GLY 32 HA2 GLY 32 4.573 -13.040 -7.860 259 HA3 GLY 32 HA1 GLY 32 3.675 -11.826 -6.959 260 H LYS 33 HN LYS 33 4.839 -10.122 -9.396 261 HA LYS 33 HA LYS 33 4.249 -9.452 -11.465 262 HB2 LYS 33 HB2 LYS 33 3.002 -12.196 -11.623 263 HB3 LYS 33 HB1 LYS 33 3.147 -11.091 -12.985 264 HG2 LYS 33 HG2 LYS 33 5.530 -11.176 -12.890 265 HG3 LYS 33 HG1 LYS 33 5.487 -12.079 -11.376 266 HD2 LYS 33 HD2 LYS 33 4.413 -13.953 -12.541 267 HD3 LYS 33 HD1 LYS 33 4.489 -13.047 -14.053 268 HE2 LYS 33 HE2 LYS 33 6.317 -14.706 -13.800 269 HE3 LYS 33 HE1 LYS 33 6.889 -13.050 -14.003 270 HZ1 LYS 33 HZ1 LYS 33 6.645 -14.459 -11.400 271 HZ2 LYS 33 HZ2 LYS 33 7.268 -12.906 -11.639 272 HZ3 LYS 33 HZ3 LYS 33 8.085 -14.248 -12.256 273 H LYS 34 HN LYS 34 2.529 -8.970 -9.127 274 HA LYS 34 HA LYS 34 -0.005 -8.497 -10.493 275 HB2 LYS 34 HB2 LYS 34 0.800 -7.971 -7.628 276 HB3 LYS 34 HB1 LYS 34 -0.795 -7.681 -8.297 277 HG2 LYS 34 HG2 LYS 34 -0.867 -10.145 -8.850 278 HG3 LYS 34 HG1 LYS 34 0.577 -10.311 -7.850 279 HD2 LYS 34 HD2 LYS 34 -2.094 -9.224 -6.954 280 HD3 LYS 34 HD1 LYS 34 -1.443 -10.818 -6.576 281 HE2 LYS 34 HE2 LYS 34 0.408 -9.779 -5.365 282 HE3 LYS 34 HE1 LYS 34 -0.225 -8.181 -5.757 283 HZ1 LYS 34 HZ1 LYS 34 -1.587 -10.244 -4.112 284 HZ2 LYS 34 HZ2 LYS 34 -2.241 -8.739 -4.517 285 HZ3 LYS 34 HZ3 LYS 34 -0.867 -8.825 -3.536 286 H ARG 35 HN ARG 35 1.899 -7.194 -11.742 287 HA ARG 35 HA ARG 35 2.272 -4.543 -10.607 288 HB2 ARG 35 HB2 ARG 35 3.242 -5.693 -13.233 289 HB3 ARG 35 HB1 ARG 35 3.728 -4.151 -12.543 290 HG2 ARG 35 HG2 ARG 35 4.735 -5.316 -10.646 291 HG3 ARG 35 HG1 ARG 35 4.248 -6.862 -11.338 292 HD2 ARG 35 HD2 ARG 35 6.557 -6.483 -11.847 293 HD3 ARG 35 HD1 ARG 35 5.622 -6.339 -13.333 294 HE ARG 35 HE ARG 35 5.755 -3.831 -12.821 295 HH11 ARG 35 HH11 ARG 35 8.251 -6.149 -12.020 296 HH12 ARG 35 HH12 ARG 35 9.539 -4.996 -12.142 297 HH21 ARG 35 HH21 ARG 35 7.450 -2.313 -13.010 298 HH22 ARG 35 HH22 ARG 35 9.087 -2.812 -12.714 299 H GLN 36 HN GLN 36 0.411 -6.184 -13.013 300 HA GLN 36 HA GLN 36 -0.746 -3.626 -13.875 301 HB2 GLN 36 HB2 GLN 36 -0.898 -6.316 -15.249 302 HB3 GLN 36 HB1 GLN 36 -1.531 -4.796 -15.867 303 HG2 GLN 36 HG2 GLN 36 1.377 -5.370 -15.343 304 HG3 GLN 36 HG1 GLN 36 0.592 -5.472 -16.916 305 HE21 GLN 36 HE21 GLN 36 1.919 -3.918 -17.803 306 HE22 GLN 36 HE22 GLN 36 1.779 -2.240 -17.413 Start of MODEL 17 1 H1 THR 1 HT1 THR 1 -19.228 -1.584 -6.480 2 H2 THR 1 HT2 THR 1 -20.383 -1.334 -7.685 3 H3 THR 1 HT3 THR 1 -19.795 -2.891 -7.386 4 HA THR 1 HA THR 1 -21.984 -2.633 -6.463 5 HB THR 1 HB THR 1 -21.321 -3.091 -4.012 6 HG1 THR 1 HG1 THR 1 -18.988 -3.584 -3.909 7 HG21 THR 1 HG21 THR 1 -20.113 -4.718 -6.253 8 HG22 THR 1 HG22 THR 1 -21.753 -4.869 -5.620 9 HG23 THR 1 HG23 THR 1 -20.373 -5.288 -4.605 10 H TRP 2 HN TRP 2 -23.114 -1.742 -4.420 11 HA TRP 2 HA TRP 2 -22.337 1.011 -3.836 12 HB2 TRP 2 HB2 TRP 2 -23.848 0.873 -5.917 13 HB3 TRP 2 HB1 TRP 2 -25.129 0.434 -4.793 14 HD1 TRP 2 HD1 TRP 2 -26.194 2.347 -3.363 15 HE1 TRP 2 HE1 TRP 2 -25.958 4.912 -3.364 16 HE3 TRP 2 HE3 TRP 2 -22.040 2.757 -6.304 17 HZ2 TRP 2 HZ2 TRP 2 -24.222 6.852 -4.473 18 HZ3 TRP 2 HZ3 TRP 2 -21.152 5.002 -6.790 19 HH2 TRP 2 HH2 TRP 2 -22.222 7.004 -5.892 20 H SER 3 HN SER 3 -22.063 -0.809 -1.977 21 HA SER 3 HA SER 3 -24.185 -0.147 -0.096 22 HB2 SER 3 HB2 SER 3 -24.805 -2.353 -1.112 23 HB3 SER 3 HB1 SER 3 -23.300 -3.019 -0.485 24 HG SER 3 HG SER 3 -24.027 -2.611 1.599 25 H GLY 4 HN GLY 4 -21.271 0.366 -0.652 26 HA2 GLY 4 HA2 GLY 4 -20.390 0.601 2.000 27 HA3 GLY 4 HA1 GLY 4 -19.653 -0.837 1.300 28 H THR 5 HN THR 5 -20.389 2.449 0.206 29 HA THR 5 HA THR 5 -18.375 2.569 -1.714 30 HB THR 5 HB THR 5 -18.691 5.108 -1.469 31 HG1 THR 5 HG1 THR 5 -20.914 4.292 0.113 32 HG21 THR 5 HG21 THR 5 -20.903 5.013 -2.541 33 HG22 THR 5 HG22 THR 5 -21.075 3.335 -2.027 34 HG23 THR 5 HG23 THR 5 -19.817 3.780 -3.182 35 H LYS 6 HN LYS 6 -18.401 4.017 1.545 36 HA LYS 6 HA LYS 6 -15.748 4.989 1.407 37 HB2 LYS 6 HB2 LYS 6 -17.499 4.346 3.783 38 HB3 LYS 6 HB1 LYS 6 -15.931 5.131 3.909 39 HG2 LYS 6 HG2 LYS 6 -16.764 6.983 2.536 40 HG3 LYS 6 HG1 LYS 6 -18.343 6.199 2.457 41 HD2 LYS 6 HD2 LYS 6 -18.597 6.377 4.853 42 HD3 LYS 6 HD1 LYS 6 -16.967 7.034 5.009 43 HE2 LYS 6 HE2 LYS 6 -17.643 8.980 3.671 44 HE3 LYS 6 HE1 LYS 6 -19.274 8.323 3.556 45 HZ1 LYS 6 HZ1 LYS 6 -19.455 8.475 5.966 46 HZ2 LYS 6 HZ2 LYS 6 -19.129 9.987 5.283 47 HZ3 LYS 6 HZ3 LYS 6 -17.896 9.129 6.060 48 H LYS 7 HN LYS 7 -17.150 2.050 2.766 49 HA LYS 7 HA LYS 7 -14.849 1.043 3.995 50 HB2 LYS 7 HB2 LYS 7 -17.158 -0.496 2.800 51 HB3 LYS 7 HB1 LYS 7 -15.995 -1.127 3.958 52 HG2 LYS 7 HG2 LYS 7 -16.766 0.497 5.616 53 HG3 LYS 7 HG1 LYS 7 -17.940 1.118 4.452 54 HD2 LYS 7 HD2 LYS 7 -19.008 -1.079 4.359 55 HD3 LYS 7 HD1 LYS 7 -17.833 -1.702 5.520 56 HE2 LYS 7 HE2 LYS 7 -18.635 -0.056 7.168 57 HE3 LYS 7 HE1 LYS 7 -19.842 0.493 6.005 58 HZ1 LYS 7 HZ1 LYS 7 -19.647 -2.233 7.159 59 HZ2 LYS 7 HZ2 LYS 7 -20.777 -1.747 6.002 60 HZ3 LYS 7 HZ3 LYS 7 -20.809 -1.068 7.550 61 H ARG 8 HN ARG 8 -16.165 0.421 0.758 62 HA ARG 8 HA ARG 8 -14.172 -1.385 -0.065 63 HB2 ARG 8 HB2 ARG 8 -16.321 -1.119 -1.228 64 HB3 ARG 8 HB1 ARG 8 -15.865 0.502 -1.717 65 HG2 ARG 8 HG2 ARG 8 -15.642 -1.169 -3.516 66 HG3 ARG 8 HG1 ARG 8 -14.133 -0.340 -3.139 67 HD2 ARG 8 HD2 ARG 8 -13.897 -2.794 -3.501 68 HD3 ARG 8 HD1 ARG 8 -13.311 -2.234 -1.937 69 HE ARG 8 HE ARG 8 -15.764 -2.990 -1.283 70 HH11 ARG 8 HH11 ARG 8 -13.415 -4.599 -3.323 71 HH12 ARG 8 HH12 ARG 8 -13.962 -6.193 -2.904 72 HH21 ARG 8 HH21 ARG 8 -16.454 -5.082 -0.704 73 HH22 ARG 8 HH22 ARG 8 -15.680 -6.467 -1.412 74 H ALA 9 HN ALA 9 -14.437 2.130 -0.355 75 HA ALA 9 HA ALA 9 -12.090 2.522 -1.869 76 HB1 ALA 9 HB1 ALA 9 -13.837 4.218 -1.659 77 HB2 ALA 9 HB2 ALA 9 -12.264 4.854 -1.182 78 HB3 ALA 9 HB3 ALA 9 -13.444 4.412 0.049 79 H GLN 10 HN GLN 10 -12.714 2.591 1.615 80 HA GLN 10 HA GLN 10 -10.139 3.316 2.450 81 HB2 GLN 10 HB2 GLN 10 -12.381 1.833 3.797 82 HB3 GLN 10 HB1 GLN 10 -10.856 2.131 4.617 83 HG2 GLN 10 HG2 GLN 10 -12.624 4.273 3.460 84 HG3 GLN 10 HG1 GLN 10 -12.600 3.785 5.155 85 HE21 GLN 10 HE21 GLN 10 -11.985 6.364 3.915 86 HE22 GLN 10 HE22 GLN 10 -10.372 6.756 4.406 87 H ARG 11 HN ARG 11 -11.526 0.141 1.719 88 HA ARG 11 HA ARG 11 -9.317 -1.288 2.800 89 HB2 ARG 11 HB2 ARG 11 -10.350 -3.227 2.124 90 HB3 ARG 11 HB1 ARG 11 -11.727 -2.143 2.224 91 HG2 ARG 11 HG2 ARG 11 -11.722 -1.849 -0.168 92 HG3 ARG 11 HG1 ARG 11 -10.254 -2.817 -0.313 93 HD2 ARG 11 HD2 ARG 11 -12.962 -3.755 0.620 94 HD3 ARG 11 HD1 ARG 11 -12.167 -4.167 -0.894 95 HE ARG 11 HE ARG 11 -11.129 -4.984 1.749 96 HH11 ARG 11 HH11 ARG 11 -11.807 -5.673 -1.619 97 HH12 ARG 11 HH12 ARG 11 -11.201 -7.294 -1.538 98 HH21 ARG 11 HH21 ARG 11 -10.317 -7.095 1.855 99 HH22 ARG 11 HH22 ARG 11 -10.342 -8.103 0.441 100 H ILE 12 HN ILE 12 -10.042 0.086 -0.342 101 HA ILE 12 HA ILE 12 -7.962 -1.150 -1.796 102 HB ILE 12 HB ILE 12 -9.222 1.568 -2.216 103 HG12 ILE 12 HG12 ILE 12 -9.797 -1.089 -3.544 104 HG13 ILE 12 HG11 ILE 12 -10.799 -0.342 -2.305 105 HG21 ILE 12 HG21 ILE 12 -7.076 1.443 -3.343 106 HG22 ILE 12 HG22 ILE 12 -8.385 1.391 -4.521 107 HG23 ILE 12 HG23 ILE 12 -7.532 -0.089 -4.085 108 HD11 ILE 12 HD11 ILE 12 -10.236 0.779 -5.039 109 HD12 ILE 12 HD12 ILE 12 -11.232 1.539 -3.799 110 HD13 ILE 12 HD13 ILE 12 -11.730 0.006 -4.513 111 H LEU 13 HN LEU 13 -8.097 1.734 0.214 112 HA LEU 13 HA LEU 13 -5.578 2.780 -0.327 113 HB2 LEU 13 HB2 LEU 13 -7.057 2.822 2.307 114 HB3 LEU 13 HB1 LEU 13 -5.751 3.895 1.848 115 HG LEU 13 HG LEU 13 -8.469 3.799 0.531 116 HD11 LEU 13 HD11 LEU 13 -8.539 4.681 2.815 117 HD12 LEU 13 HD12 LEU 13 -8.845 5.939 1.619 118 HD13 LEU 13 HD13 LEU 13 -7.269 5.834 2.404 119 HD21 LEU 13 HD21 LEU 13 -7.730 5.865 -0.572 120 HD22 LEU 13 HD22 LEU 13 -6.738 4.481 -1.025 121 HD23 LEU 13 HD23 LEU 13 -6.130 5.660 0.137 122 H ILE 14 HN ILE 14 -6.607 0.226 1.861 123 HA ILE 14 HA ILE 14 -4.260 -0.187 3.292 124 HB ILE 14 HB ILE 14 -6.205 -2.294 2.332 125 HG12 ILE 14 HG12 ILE 14 -7.264 -0.424 3.580 126 HG13 ILE 14 HG11 ILE 14 -7.360 -1.955 4.432 127 HG21 ILE 14 HG21 ILE 14 -4.127 -3.268 3.129 128 HG22 ILE 14 HG22 ILE 14 -5.427 -3.577 4.279 129 HG23 ILE 14 HG23 ILE 14 -4.232 -2.326 4.618 130 HD11 ILE 14 HD11 ILE 14 -5.498 -1.270 5.861 131 HD12 ILE 14 HD12 ILE 14 -6.854 -0.147 5.956 132 HD13 ILE 14 HD13 ILE 14 -5.427 0.271 5.010 133 H PHE 15 HN PHE 15 -5.298 -1.607 0.208 134 HA PHE 15 HA PHE 15 -2.960 -3.196 -0.122 135 HB2 PHE 15 HB2 PHE 15 -5.055 -2.347 -2.129 136 HB3 PHE 15 HB1 PHE 15 -3.818 -3.565 -2.417 137 HD1 PHE 15 HD1 PHE 15 -3.854 -5.682 -1.090 138 HD2 PHE 15 HD2 PHE 15 -7.021 -2.852 -0.953 139 HE1 PHE 15 HE1 PHE 15 -5.339 -7.395 -0.132 140 HE2 PHE 15 HE2 PHE 15 -8.510 -4.550 0.007 141 HZ PHE 15 HZ PHE 15 -7.672 -6.831 0.418 142 H LEU 16 HN LEU 16 -3.985 -0.056 -1.416 143 HA LEU 16 HA LEU 16 -1.760 0.241 -3.138 144 HB2 LEU 16 HB2 LEU 16 -2.624 2.278 -3.691 145 HB3 LEU 16 HB1 LEU 16 -4.052 1.512 -3.036 146 HG LEU 16 HG LEU 16 -3.426 2.720 -0.834 147 HD11 LEU 16 HD11 LEU 16 -2.148 4.725 -1.065 148 HD12 LEU 16 HD12 LEU 16 -1.979 4.477 -2.803 149 HD13 LEU 16 HD13 LEU 16 -1.174 3.383 -1.676 150 HD21 LEU 16 HD21 LEU 16 -4.675 4.673 -1.547 151 HD22 LEU 16 HD22 LEU 16 -5.365 3.217 -2.266 152 HD23 LEU 16 HD23 LEU 16 -4.356 4.286 -3.237 153 H LEU 17 HN LEU 17 -2.282 0.868 0.241 154 HA LEU 17 HA LEU 17 0.126 2.318 0.684 155 HB2 LEU 17 HB2 LEU 17 -1.988 2.073 2.179 156 HB3 LEU 17 HB1 LEU 17 -1.222 0.605 2.748 157 HG LEU 17 HG LEU 17 0.134 3.293 2.894 158 HD11 LEU 17 HD11 LEU 17 -1.522 1.921 5.004 159 HD12 LEU 17 HD12 LEU 17 -1.971 3.386 4.132 160 HD13 LEU 17 HD13 LEU 17 -0.581 3.397 5.217 161 HD21 LEU 17 HD21 LEU 17 1.466 2.189 4.630 162 HD22 LEU 17 HD22 LEU 17 1.609 1.367 3.078 163 HD23 LEU 17 HD23 LEU 17 0.586 0.688 4.343 164 H GLU 18 HN GLU 18 -0.794 -1.100 0.915 165 HA GLU 18 HA GLU 18 1.621 -2.204 1.743 166 HB2 GLU 18 HB2 GLU 18 -0.378 -3.286 -0.255 167 HB3 GLU 18 HB1 GLU 18 0.923 -4.230 0.454 168 HG2 GLU 18 HG2 GLU 18 -1.312 -2.928 1.991 169 HG3 GLU 18 HG1 GLU 18 -1.247 -4.627 1.525 170 H PHE 19 HN PHE 19 0.527 -1.261 -1.463 171 HA PHE 19 HA PHE 19 2.780 -2.059 -2.927 172 HB2 PHE 19 HB2 PHE 19 0.648 -1.423 -3.972 173 HB3 PHE 19 HB1 PHE 19 0.884 0.240 -3.450 174 HD1 PHE 19 HD2 PHE 19 2.284 -2.421 -5.606 175 HD2 PHE 19 HD1 PHE 19 2.142 1.740 -4.732 176 HE1 PHE 19 HE2 PHE 19 3.514 -1.947 -7.682 177 HE2 PHE 19 HE1 PHE 19 3.373 2.223 -6.805 178 HZ PHE 19 HZ PHE 19 4.061 0.378 -8.283 179 H LEU 20 HN LEU 20 1.991 1.033 -1.358 180 HA LEU 20 HA LEU 20 4.262 2.449 -2.191 181 HB2 LEU 20 HB2 LEU 20 2.635 2.763 0.326 182 HB3 LEU 20 HB1 LEU 20 3.801 3.932 -0.263 183 HG LEU 20 HG LEU 20 1.295 3.104 -1.724 184 HD11 LEU 20 HD11 LEU 20 0.464 5.317 -1.134 185 HD12 LEU 20 HD12 LEU 20 1.924 5.619 -0.192 186 HD13 LEU 20 HD13 LEU 20 0.800 4.354 0.304 187 HD21 LEU 20 HD21 LEU 20 3.329 5.252 -2.310 188 HD22 LEU 20 HD22 LEU 20 1.807 5.024 -3.170 189 HD23 LEU 20 HD23 LEU 20 3.057 3.783 -3.249 190 H LEU 21 HN LEU 21 3.802 0.230 0.492 191 HA LEU 21 HA LEU 21 6.226 0.766 1.846 192 HB2 LEU 21 HB2 LEU 21 4.762 -1.868 1.663 193 HB3 LEU 21 HB1 LEU 21 5.922 -1.404 2.893 194 HG LEU 21 HG LEU 21 3.234 -0.121 2.464 195 HD11 LEU 21 HD11 LEU 21 3.076 -2.410 3.322 196 HD12 LEU 21 HD12 LEU 21 2.582 -1.220 4.526 197 HD13 LEU 21 HD13 LEU 21 4.166 -1.983 4.641 198 HD21 LEU 21 HD21 LEU 21 5.323 0.299 4.599 199 HD22 LEU 21 HD22 LEU 21 3.700 0.987 4.615 200 HD23 LEU 21 HD23 LEU 21 4.844 1.455 3.358 201 H ASP 22 HN ASP 22 5.363 -1.708 -0.536 202 HA ASP 22 HA ASP 22 7.960 -2.777 -0.844 203 HB2 ASP 22 HB2 ASP 22 5.829 -3.872 -1.605 204 HB3 ASP 22 HB1 ASP 22 5.768 -2.713 -2.929 205 H PHE 23 HN PHE 23 6.213 -0.203 -2.439 206 HA PHE 23 HA PHE 23 7.841 0.403 -4.579 207 HB2 PHE 23 HB2 PHE 23 5.587 1.372 -3.953 208 HB3 PHE 23 HB1 PHE 23 6.440 2.437 -2.847 209 HD1 PHE 23 HD2 PHE 23 5.888 1.595 -6.378 210 HD2 PHE 23 HD1 PHE 23 7.616 4.352 -3.638 211 HE1 PHE 23 HE2 PHE 23 6.202 3.208 -8.204 212 HE2 PHE 23 HE1 PHE 23 7.932 5.972 -5.460 213 HZ PHE 23 HZ PHE 23 7.222 5.398 -7.747 214 H CYS 24 HN CYS 24 8.441 0.893 -1.221 215 HA CYS 24 HA CYS 24 10.257 3.046 -1.377 216 HB2 CYS 24 HB2 CYS 24 9.170 2.404 0.712 217 HB3 CYS 24 HB1 CYS 24 10.022 0.864 0.702 218 HG CYS 24 HG CYS 24 12.465 2.809 0.529 219 H THR 25 HN THR 25 10.660 -0.359 -2.039 220 HA THR 25 HA THR 25 13.326 0.131 -2.960 221 HB THR 25 HB THR 25 13.880 -0.111 -0.621 222 HG1 THR 25 HG1 THR 25 15.547 -1.319 -1.100 223 HG21 THR 25 HG21 THR 25 13.441 -2.179 0.621 224 HG22 THR 25 HG22 THR 25 12.514 -2.801 -0.744 225 HG23 THR 25 HG23 THR 25 11.941 -1.386 0.137 226 H GLY 26 HN GLY 26 10.983 -2.381 -2.052 227 HA2 GLY 26 HA2 GLY 26 9.996 -3.870 -3.572 228 HA3 GLY 26 HA1 GLY 26 11.289 -3.526 -4.713 229 H GLU 27 HN GLU 27 10.460 -6.090 -4.265 230 HA GLU 27 HA GLU 27 12.075 -7.529 -2.454 231 HB2 GLU 27 HB2 GLU 27 11.034 -8.406 -5.160 232 HB3 GLU 27 HB1 GLU 27 11.586 -9.466 -3.869 233 HG2 GLU 27 HG2 GLU 27 9.254 -7.589 -3.607 234 HG3 GLU 27 HG1 GLU 27 9.111 -9.273 -4.100 235 H ASP 28 HN ASP 28 12.523 -6.431 -5.762 236 HA ASP 28 HA ASP 28 15.425 -6.622 -5.322 237 HB2 ASP 28 HB2 ASP 28 14.694 -8.281 -7.045 238 HB3 ASP 28 HB1 ASP 28 14.044 -6.951 -8.000 239 H SER 29 HN SER 29 13.063 -5.168 -7.538 240 HA SER 29 HA SER 29 13.872 -2.495 -6.824 241 HB2 SER 29 HB2 SER 29 14.223 -3.457 -9.676 242 HB3 SER 29 HB1 SER 29 14.525 -1.832 -9.065 243 HG SER 29 HG SER 29 15.954 -4.222 -8.468 244 H VAL 30 HN VAL 30 12.374 -0.915 -7.628 245 HA VAL 30 HA VAL 30 9.840 -2.114 -8.559 246 HB VAL 30 HB VAL 30 10.031 0.483 -7.035 247 HG11 VAL 30 HG11 VAL 30 7.955 0.079 -8.256 248 HG12 VAL 30 HG12 VAL 30 7.686 0.040 -6.515 249 HG13 VAL 30 HG13 VAL 30 7.763 -1.466 -7.427 250 HG21 VAL 30 HG21 VAL 30 9.609 -2.265 -5.873 251 HG22 VAL 30 HG22 VAL 30 9.475 -0.742 -4.996 252 HG23 VAL 30 HG23 VAL 30 11.033 -1.251 -5.645 253 H ASP 31 HN ASP 31 12.304 -0.733 -9.846 254 HA ASP 31 HA ASP 31 11.037 1.486 -11.236 255 HB2 ASP 31 HB2 ASP 31 13.196 1.910 -12.188 256 HB3 ASP 31 HB1 ASP 31 13.456 1.519 -10.490 257 H GLY 32 HN GLY 32 11.079 -1.792 -11.512 258 HA2 GLY 32 HA2 GLY 32 9.789 -2.708 -13.403 259 HA3 GLY 32 HA1 GLY 32 10.765 -1.683 -14.444 260 H LYS 33 HN LYS 33 12.917 -2.614 -12.239 261 HA LYS 33 HA LYS 33 13.828 -4.827 -13.894 262 HB2 LYS 33 HB2 LYS 33 15.189 -3.282 -11.685 263 HB3 LYS 33 HB1 LYS 33 15.930 -4.631 -12.530 264 HG2 LYS 33 HG2 LYS 33 14.890 -2.330 -14.111 265 HG3 LYS 33 HG1 LYS 33 16.410 -2.156 -13.238 266 HD2 LYS 33 HD2 LYS 33 16.846 -2.846 -15.516 267 HD3 LYS 33 HD1 LYS 33 17.280 -4.147 -14.410 268 HE2 LYS 33 HE2 LYS 33 15.250 -5.329 -14.935 269 HE3 LYS 33 HE1 LYS 33 14.678 -3.987 -15.924 270 HZ1 LYS 33 HZ1 LYS 33 15.558 -5.698 -17.322 271 HZ2 LYS 33 HZ2 LYS 33 17.015 -5.730 -16.468 272 HZ3 LYS 33 HZ3 LYS 33 16.605 -4.370 -17.387 273 H LYS 34 HN LYS 34 11.585 -5.005 -11.892 274 HA LYS 34 HA LYS 34 12.556 -6.819 -9.897 275 HB2 LYS 34 HB2 LYS 34 10.143 -7.226 -9.436 276 HB3 LYS 34 HB1 LYS 34 10.603 -5.534 -9.346 277 HG2 LYS 34 HG2 LYS 34 9.682 -5.199 -11.611 278 HG3 LYS 34 HG1 LYS 34 9.157 -6.882 -11.619 279 HD2 LYS 34 HD2 LYS 34 8.283 -4.792 -9.626 280 HD3 LYS 34 HD1 LYS 34 7.339 -5.332 -11.015 281 HE2 LYS 34 HE2 LYS 34 8.265 -7.088 -8.746 282 HE3 LYS 34 HE1 LYS 34 6.647 -6.415 -8.909 283 HZ1 LYS 34 HZ1 LYS 34 6.304 -7.680 -10.890 284 HZ2 LYS 34 HZ2 LYS 34 6.851 -8.735 -9.683 285 HZ3 LYS 34 HZ3 LYS 34 7.907 -8.221 -10.897 286 H ARG 35 HN ARG 35 12.824 -8.940 -10.071 287 HA ARG 35 HA ARG 35 12.423 -10.075 -12.729 288 HB2 ARG 35 HB2 ARG 35 14.664 -10.033 -11.515 289 HB3 ARG 35 HB1 ARG 35 13.997 -11.261 -10.452 290 HG2 ARG 35 HG2 ARG 35 13.768 -12.802 -12.256 291 HG3 ARG 35 HG1 ARG 35 14.190 -11.560 -13.437 292 HD2 ARG 35 HD2 ARG 35 15.991 -12.678 -11.291 293 HD3 ARG 35 HD1 ARG 35 16.095 -13.009 -13.019 294 HE ARG 35 HE ARG 35 16.261 -10.212 -12.419 295 HH11 ARG 35 HH11 ARG 35 18.115 -13.178 -12.576 296 HH12 ARG 35 HH12 ARG 35 19.626 -12.367 -12.829 297 HH21 ARG 35 HH21 ARG 35 18.238 -9.141 -12.732 298 HH22 ARG 35 HH22 ARG 35 19.696 -10.062 -12.921 299 H GLN 36 HN GLN 36 11.224 -10.280 -9.542 300 HA GLN 36 HA GLN 36 9.986 -12.883 -10.003 301 HB2 GLN 36 HB2 GLN 36 11.064 -12.555 -7.840 302 HB3 GLN 36 HB1 GLN 36 10.085 -11.126 -7.544 303 HG2 GLN 36 HG2 GLN 36 8.073 -12.506 -7.525 304 HG3 GLN 36 HG1 GLN 36 9.059 -13.937 -7.817 305 HE21 GLN 36 HE21 GLN 36 8.373 -14.897 -5.920 306 HE22 GLN 36 HE22 GLN 36 8.929 -14.376 -4.366
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