NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
473398 | 2k0x | 15658 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 19.865 5.777 3.158 2 H2 MET 1 HT2 MET 1 21.029 6.081 1.945 3 H3 MET 1 HT3 MET 1 20.222 4.592 2.013 4 HA MET 1 HA MET 1 18.897 7.182 1.629 5 HB2 MET 1 HB2 MET 1 18.606 6.559 -0.751 6 HB3 MET 1 HB1 MET 1 20.298 6.738 -0.336 7 HG2 MET 1 HG2 MET 1 20.495 4.283 -0.214 8 HG3 MET 1 HG1 MET 1 18.805 4.144 -0.686 9 HE1 MET 1 HE1 MET 1 20.620 2.911 -3.906 10 HE2 MET 1 HE2 MET 1 19.393 2.562 -2.691 11 HE3 MET 1 HE3 MET 1 21.095 2.618 -2.235 12 H ALA 2 HN ALA 2 16.893 7.066 2.308 13 HA ALA 2 HA ALA 2 15.249 4.853 1.554 14 HB1 ALA 2 HB1 ALA 2 15.655 5.365 4.506 15 HB2 ALA 2 HB2 ALA 2 16.247 3.960 3.621 16 HB3 ALA 2 HB3 ALA 2 14.514 4.226 3.791 17 H THR 3 HN THR 3 14.302 6.622 0.441 18 HA THR 3 HA THR 3 12.977 8.621 2.028 19 HB THR 3 HB THR 3 13.706 9.266 -0.210 20 HG1 THR 3 HG1 THR 3 11.482 9.780 -1.135 21 HG21 THR 3 HG21 THR 3 11.830 7.154 -1.305 22 HG22 THR 3 HG22 THR 3 13.591 7.104 -1.363 23 HG23 THR 3 HG23 THR 3 12.714 8.336 -2.274 24 H LEU 4 HN LEU 4 11.358 8.049 3.257 25 HA LEU 4 HA LEU 4 9.869 5.633 2.630 26 HB2 LEU 4 HB2 LEU 4 9.803 7.329 5.119 27 HB3 LEU 4 HB1 LEU 4 9.040 5.770 4.903 28 HG LEU 4 HG LEU 4 12.015 6.285 4.935 29 HD11 LEU 4 HD11 LEU 4 11.008 6.522 7.123 30 HD12 LEU 4 HD12 LEU 4 11.974 5.049 7.038 31 HD13 LEU 4 HD13 LEU 4 10.215 4.959 6.947 32 HD21 LEU 4 HD21 LEU 4 10.489 3.687 4.741 33 HD22 LEU 4 HD22 LEU 4 12.239 3.849 4.917 34 HD23 LEU 4 HD23 LEU 4 11.441 4.432 3.456 35 H LEU 5 HN LEU 5 7.906 5.679 1.798 36 HA LEU 5 HA LEU 5 6.528 8.116 1.361 37 HB2 LEU 5 HB2 LEU 5 4.788 6.876 0.342 38 HB3 LEU 5 HB1 LEU 5 6.255 6.022 -0.046 39 HG LEU 5 HG LEU 5 4.265 5.177 2.062 40 HD11 LEU 5 HD11 LEU 5 4.729 4.143 -0.712 41 HD12 LEU 5 HD12 LEU 5 3.317 5.037 -0.140 42 HD13 LEU 5 HD13 LEU 5 3.660 3.425 0.491 43 HD21 LEU 5 HD21 LEU 5 6.666 3.761 0.926 44 HD22 LEU 5 HD22 LEU 5 5.461 3.039 1.985 45 HD23 LEU 5 HD23 LEU 5 6.476 4.350 2.579 46 H THR 6 HN THR 6 4.779 8.953 2.394 47 HA THR 6 HA THR 6 4.584 8.122 5.166 48 HB THR 6 HB THR 6 3.596 10.356 5.531 49 HG1 THR 6 HG1 THR 6 4.111 10.750 2.730 50 HG21 THR 6 HG21 THR 6 6.183 10.413 3.960 51 HG22 THR 6 HG22 THR 6 6.032 10.084 5.686 52 HG23 THR 6 HG23 THR 6 5.616 11.677 5.052 53 H THR 7 HN THR 7 2.174 9.082 5.949 54 HA THR 7 HA THR 7 0.262 7.204 5.292 55 HB THR 7 HB THR 7 -0.200 10.054 6.214 56 HG1 THR 7 HG1 THR 7 -0.041 8.834 8.344 57 HG21 THR 7 HG21 THR 7 -2.084 9.063 7.439 58 HG22 THR 7 HG22 THR 7 -1.672 7.478 6.784 59 HG23 THR 7 HG23 THR 7 -2.230 8.761 5.706 60 H ASP 8 HN ASP 8 0.562 10.590 4.315 61 HA ASP 8 HA ASP 8 -1.577 10.823 2.562 62 HB2 ASP 8 HB2 ASP 8 -0.497 12.778 3.306 63 HB3 ASP 8 HB1 ASP 8 1.058 12.250 2.662 64 H ASP 9 HN ASP 9 1.714 9.806 1.920 65 HA ASP 9 HA ASP 9 1.502 9.788 -0.908 66 HB2 ASP 9 HB2 ASP 9 3.346 8.173 0.844 67 HB3 ASP 9 HB1 ASP 9 3.484 8.311 -0.906 68 H LEU 10 HN LEU 10 1.200 7.220 1.501 69 HA LEU 10 HA LEU 10 0.568 5.171 -0.307 70 HB2 LEU 10 HB2 LEU 10 1.187 4.810 2.080 71 HB3 LEU 10 HB1 LEU 10 -0.367 5.465 2.555 72 HG LEU 10 HG LEU 10 -1.456 3.580 1.283 73 HD11 LEU 10 HD11 LEU 10 -0.116 1.634 0.741 74 HD12 LEU 10 HD12 LEU 10 1.348 2.524 1.155 75 HD13 LEU 10 HD13 LEU 10 0.358 3.044 -0.209 76 HD21 LEU 10 HD21 LEU 10 0.397 2.814 3.539 77 HD22 LEU 10 HD22 LEU 10 -1.022 1.909 3.015 78 HD23 LEU 10 HD23 LEU 10 -1.210 3.518 3.711 79 H ARG 11 HN ARG 11 -1.426 7.417 1.523 80 HA ARG 11 HA ARG 11 -3.989 6.617 0.880 81 HB2 ARG 11 HB2 ARG 11 -3.540 8.403 2.463 82 HB3 ARG 11 HB1 ARG 11 -2.930 9.429 1.170 83 HG2 ARG 11 HG2 ARG 11 -5.208 9.303 0.127 84 HG3 ARG 11 HG1 ARG 11 -5.755 8.504 1.600 85 HD2 ARG 11 HD2 ARG 11 -6.266 10.861 1.705 86 HD3 ARG 11 HD1 ARG 11 -5.032 10.458 2.898 87 HE ARG 11 HE ARG 11 -3.400 11.513 1.502 88 HH11 ARG 11 HH11 ARG 11 -6.690 11.962 0.319 89 HH12 ARG 11 HH12 ARG 11 -6.427 13.470 -0.389 90 HH21 ARG 11 HH21 ARG 11 -2.944 13.525 0.441 91 HH22 ARG 11 HH22 ARG 11 -4.140 14.375 -0.415 92 H ARG 12 HN ARG 12 -2.103 9.118 -0.832 93 HA ARG 12 HA ARG 12 -4.014 9.525 -2.837 94 HB2 ARG 12 HB2 ARG 12 -1.075 10.149 -2.778 95 HB3 ARG 12 HB1 ARG 12 -2.125 10.623 -4.105 96 HG2 ARG 12 HG2 ARG 12 -3.516 11.886 -2.516 97 HG3 ARG 12 HG1 ARG 12 -2.386 11.459 -1.230 98 HD2 ARG 12 HD2 ARG 12 -1.593 12.913 -3.741 99 HD3 ARG 12 HD1 ARG 12 -2.061 13.731 -2.253 100 HE ARG 12 HE ARG 12 -0.144 12.707 -1.184 101 HH11 ARG 12 HH11 ARG 12 -0.133 12.480 -4.726 102 HH12 ARG 12 HH12 ARG 12 1.535 12.623 -4.880 103 HH21 ARG 12 HH21 ARG 12 2.144 12.853 -1.372 104 HH22 ARG 12 HH22 ARG 12 2.900 12.830 -2.905 105 H ALA 13 HN ALA 13 -1.169 7.473 -2.784 106 HA ALA 13 HA ALA 13 -1.374 6.633 -5.460 107 HB1 ALA 13 HB1 ALA 13 -0.151 5.178 -3.115 108 HB2 ALA 13 HB2 ALA 13 0.667 6.367 -4.129 109 HB3 ALA 13 HB3 ALA 13 0.139 4.832 -4.820 110 H LEU 14 HN LEU 14 -2.654 5.288 -2.450 111 HA LEU 14 HA LEU 14 -3.656 2.929 -3.628 112 HB2 LEU 14 HB2 LEU 14 -3.066 3.168 -1.318 113 HB3 LEU 14 HB1 LEU 14 -4.402 4.273 -1.035 114 HG LEU 14 HG LEU 14 -5.952 2.369 -1.675 115 HD11 LEU 14 HD11 LEU 14 -4.366 1.001 -2.882 116 HD12 LEU 14 HD12 LEU 14 -5.067 0.104 -1.537 117 HD13 LEU 14 HD13 LEU 14 -3.432 0.750 -1.408 118 HD21 LEU 14 HD21 LEU 14 -4.181 1.945 0.730 119 HD22 LEU 14 HD22 LEU 14 -5.819 1.309 0.509 120 HD23 LEU 14 HD23 LEU 14 -5.555 3.045 0.644 121 H VAL 15 HN VAL 15 -5.072 6.110 -3.140 122 HA VAL 15 HA VAL 15 -7.690 5.306 -3.970 123 HB VAL 15 HB VAL 15 -6.405 8.074 -4.007 124 HG11 VAL 15 HG11 VAL 15 -9.318 7.318 -4.311 125 HG12 VAL 15 HG12 VAL 15 -8.283 7.978 -5.580 126 HG13 VAL 15 HG13 VAL 15 -8.690 8.962 -4.175 127 HG21 VAL 15 HG21 VAL 15 -7.733 8.466 -1.986 128 HG22 VAL 15 HG22 VAL 15 -6.596 7.135 -1.775 129 HG23 VAL 15 HG23 VAL 15 -8.307 6.798 -2.044 130 H GLU 16 HN GLU 16 -4.832 6.474 -5.556 131 HA GLU 16 HA GLU 16 -5.812 6.985 -8.118 132 HB2 GLU 16 HB2 GLU 16 -3.626 7.711 -7.245 133 HB3 GLU 16 HB1 GLU 16 -3.071 6.050 -7.266 134 HG2 GLU 16 HG2 GLU 16 -3.218 6.011 -9.677 135 HG3 GLU 16 HG1 GLU 16 -3.867 7.649 -9.683 136 H SER 17 HN SER 17 -4.729 3.939 -6.635 137 HA SER 17 HA SER 17 -4.931 2.524 -9.107 138 HB2 SER 17 HB2 SER 17 -4.664 0.506 -7.455 139 HB3 SER 17 HB1 SER 17 -3.301 1.575 -7.808 140 HG SER 17 HG SER 17 -4.937 1.415 -5.544 141 H ALA 18 HN ALA 18 -7.293 3.633 -7.090 142 HA ALA 18 HA ALA 18 -9.077 1.381 -7.431 143 HB1 ALA 18 HB1 ALA 18 -9.616 4.194 -6.476 144 HB2 ALA 18 HB2 ALA 18 -9.277 2.804 -5.439 145 HB3 ALA 18 HB3 ALA 18 -10.757 2.852 -6.406 146 H GLY 19 HN GLY 19 -7.929 3.916 -9.237 147 HA2 GLY 19 HA2 GLY 19 -8.464 4.023 -11.561 148 HA3 GLY 19 HA1 GLY 19 -10.140 3.645 -11.123 149 H GLU 20 HN GLU 20 -11.490 5.204 -10.675 150 HA GLU 20 HA GLU 20 -10.621 7.915 -11.110 151 HB2 GLU 20 HB2 GLU 20 -13.328 6.754 -10.464 152 HB3 GLU 20 HB1 GLU 20 -13.018 8.451 -10.798 153 HG2 GLU 20 HG2 GLU 20 -12.252 7.864 -13.033 154 HG3 GLU 20 HG1 GLU 20 -12.581 6.164 -12.691 155 H THR 21 HN THR 21 -11.028 9.597 -9.627 156 HA THR 21 HA THR 21 -10.315 8.879 -6.947 157 HB THR 21 HB THR 21 -11.122 11.525 -8.031 158 HG1 THR 21 HG1 THR 21 -8.893 9.972 -8.508 159 HG21 THR 21 HG21 THR 21 -10.993 11.455 -5.601 160 HG22 THR 21 HG22 THR 21 -9.646 12.413 -6.217 161 HG23 THR 21 HG23 THR 21 -9.376 10.754 -5.684 162 H ASP 22 HN ASP 22 -12.160 7.713 -6.544 163 HA ASP 22 HA ASP 22 -14.750 8.904 -6.196 164 HB2 ASP 22 HB2 ASP 22 -14.595 6.466 -6.315 165 HB3 ASP 22 HB1 ASP 22 -13.558 6.437 -4.890 166 H GLY 23 HN GLY 23 -12.282 7.886 -3.904 167 HA2 GLY 23 HA2 GLY 23 -11.368 9.460 -2.365 168 HA3 GLY 23 HA1 GLY 23 -12.945 10.266 -2.307 169 H THR 24 HN THR 24 -11.709 7.017 -1.965 170 HA THR 24 HA THR 24 -13.276 6.393 0.323 171 HB THR 24 HB THR 24 -10.639 5.208 -0.628 172 HG1 THR 24 HG1 THR 24 -13.323 4.700 -1.468 173 HG21 THR 24 HG21 THR 24 -12.975 3.987 0.873 174 HG22 THR 24 HG22 THR 24 -11.420 4.423 1.579 175 HG23 THR 24 HG23 THR 24 -11.513 3.132 0.382 176 H ASP 25 HN ASP 25 -12.899 7.725 2.094 177 HA ASP 25 HA ASP 25 -10.547 9.187 2.397 178 HB2 ASP 25 HB2 ASP 25 -11.380 9.722 4.736 179 HB3 ASP 25 HB1 ASP 25 -12.439 10.161 3.407 180 H LEU 26 HN LEU 26 -8.751 8.593 2.731 181 HA LEU 26 HA LEU 26 -8.118 6.406 4.599 182 HB2 LEU 26 HB2 LEU 26 -6.753 7.231 2.022 183 HB3 LEU 26 HB1 LEU 26 -6.253 5.921 3.075 184 HG LEU 26 HG LEU 26 -8.909 5.972 1.653 185 HD11 LEU 26 HD11 LEU 26 -7.196 6.036 -0.012 186 HD12 LEU 26 HD12 LEU 26 -7.928 4.442 0.028 187 HD13 LEU 26 HD13 LEU 26 -6.331 4.699 0.752 188 HD21 LEU 26 HD21 LEU 26 -8.884 3.562 2.097 189 HD22 LEU 26 HD22 LEU 26 -8.801 4.494 3.594 190 HD23 LEU 26 HD23 LEU 26 -7.348 3.736 2.947 191 H SER 27 HN SER 27 -8.338 8.882 5.624 192 HA SER 27 HA SER 27 -5.610 9.965 5.646 193 HB2 SER 27 HB2 SER 27 -8.199 11.439 6.137 194 HB3 SER 27 HB1 SER 27 -6.578 12.146 6.108 195 HG SER 27 HG SER 27 -7.474 10.663 3.926 196 H GLY 28 HN GLY 28 -4.883 10.796 7.710 197 HA2 GLY 28 HA2 GLY 28 -4.822 10.884 10.015 198 HA3 GLY 28 HA1 GLY 28 -6.399 10.093 10.073 199 H ASP 29 HN ASP 29 -6.221 8.227 11.105 200 HA ASP 29 HA ASP 29 -3.931 6.560 10.380 201 HB2 ASP 29 HB2 ASP 29 -3.938 7.206 12.791 202 HB3 ASP 29 HB1 ASP 29 -5.518 6.449 12.964 203 H PHE 30 HN PHE 30 -4.931 5.789 8.631 204 HA PHE 30 HA PHE 30 -7.487 4.370 8.933 205 HB2 PHE 30 HB2 PHE 30 -7.604 4.409 6.521 206 HB3 PHE 30 HB1 PHE 30 -7.181 6.023 7.071 207 HD1 PHE 30 HD1 PHE 30 -4.675 6.650 7.005 208 HD2 PHE 30 HD2 PHE 30 -6.312 3.354 4.873 209 HE1 PHE 30 HE1 PHE 30 -2.728 6.660 5.509 210 HE2 PHE 30 HE2 PHE 30 -4.358 3.362 3.375 211 HZ PHE 30 HZ PHE 30 -2.613 4.970 3.635 212 H LEU 31 HN LEU 31 -4.572 3.629 9.632 213 HA LEU 31 HA LEU 31 -3.931 1.518 7.846 214 HB2 LEU 31 HB2 LEU 31 -2.697 2.281 10.488 215 HB3 LEU 31 HB1 LEU 31 -2.084 1.011 9.457 216 HG LEU 31 HG LEU 31 -0.681 2.847 9.112 217 HD11 LEU 31 HD11 LEU 31 -0.971 3.483 6.784 218 HD12 LEU 31 HD12 LEU 31 -2.599 2.805 6.821 219 HD13 LEU 31 HD13 LEU 31 -1.203 1.756 7.067 220 HD21 LEU 31 HD21 LEU 31 -1.424 5.112 8.490 221 HD22 LEU 31 HD22 LEU 31 -2.007 4.638 10.084 222 HD23 LEU 31 HD23 LEU 31 -3.101 4.605 8.698 223 H ASP 32 HN ASP 32 -6.070 1.703 10.439 224 HA ASP 32 HA ASP 32 -5.858 -1.124 11.106 225 HB2 ASP 32 HB2 ASP 32 -7.410 -0.681 12.894 226 HB3 ASP 32 HB1 ASP 32 -6.189 0.580 12.920 227 H LEU 33 HN LEU 33 -7.244 0.621 8.715 228 HA LEU 33 HA LEU 33 -9.789 -0.739 8.566 229 HB2 LEU 33 HB2 LEU 33 -8.253 0.778 6.440 230 HB3 LEU 33 HB1 LEU 33 -9.900 0.210 6.283 231 HG LEU 33 HG LEU 33 -8.935 2.365 8.159 232 HD11 LEU 33 HD11 LEU 33 -8.975 3.048 5.825 233 HD12 LEU 33 HD12 LEU 33 -10.271 3.838 6.726 234 HD13 LEU 33 HD13 LEU 33 -10.635 2.474 5.672 235 HD21 LEU 33 HD21 LEU 33 -11.719 1.313 7.655 236 HD22 LEU 33 HD22 LEU 33 -11.310 2.714 8.646 237 HD23 LEU 33 HD23 LEU 33 -10.786 1.105 9.136 238 H ARG 34 HN ARG 34 -10.176 -2.101 6.489 239 HA ARG 34 HA ARG 34 -7.707 -3.631 5.963 240 HB2 ARG 34 HB2 ARG 34 -10.461 -4.815 6.199 241 HB3 ARG 34 HB1 ARG 34 -9.006 -5.685 5.753 242 HG2 ARG 34 HG2 ARG 34 -8.066 -5.081 7.938 243 HG3 ARG 34 HG1 ARG 34 -9.651 -4.441 8.416 244 HD2 ARG 34 HD2 ARG 34 -8.876 -7.256 7.693 245 HD3 ARG 34 HD1 ARG 34 -9.560 -6.670 9.208 246 HE ARG 34 HE ARG 34 -11.611 -6.224 7.978 247 HH11 ARG 34 HH11 ARG 34 -9.255 -8.480 6.525 248 HH12 ARG 34 HH12 ARG 34 -10.410 -9.416 5.722 249 HH21 ARG 34 HH21 ARG 34 -13.220 -7.469 6.758 250 HH22 ARG 34 HH22 ARG 34 -12.717 -8.813 5.818 251 H PHE 35 HN PHE 35 -7.403 -4.488 3.959 252 HA PHE 35 HA PHE 35 -8.485 -2.978 1.834 253 HB2 PHE 35 HB2 PHE 35 -6.843 -5.503 1.795 254 HB3 PHE 35 HB1 PHE 35 -7.319 -4.621 0.348 255 HD1 PHE 35 HD2 PHE 35 -6.816 -1.946 0.679 256 HD2 PHE 35 HD1 PHE 35 -4.690 -5.166 2.453 257 HE1 PHE 35 HE2 PHE 35 -4.863 -0.490 0.974 258 HE2 PHE 35 HE1 PHE 35 -2.734 -3.711 2.758 259 HZ PHE 35 HZ PHE 35 -2.754 -1.423 1.806 260 H GLU 36 HN GLU 36 -9.232 -6.144 3.110 261 HA GLU 36 HA GLU 36 -10.967 -6.988 1.038 262 HB2 GLU 36 HB2 GLU 36 -10.023 -8.450 2.821 263 HB3 GLU 36 HB1 GLU 36 -11.063 -7.652 3.986 264 HG2 GLU 36 HG2 GLU 36 -13.027 -8.475 2.719 265 HG3 GLU 36 HG1 GLU 36 -11.922 -9.367 1.669 266 H ASP 37 HN ASP 37 -11.364 -5.035 3.897 267 HA ASP 37 HA ASP 37 -14.214 -4.946 3.818 268 HB2 ASP 37 HB2 ASP 37 -12.899 -4.658 5.901 269 HB3 ASP 37 HB1 ASP 37 -12.293 -3.129 5.278 270 H ILE 38 HN ILE 38 -11.603 -2.849 2.687 271 HA ILE 38 HA ILE 38 -13.540 -0.955 1.663 272 HB ILE 38 HB ILE 38 -11.653 0.406 0.865 273 HG12 ILE 38 HG12 ILE 38 -9.881 -1.777 2.008 274 HG13 ILE 38 HG11 ILE 38 -10.092 -1.433 0.296 275 HG21 ILE 38 HG21 ILE 38 -11.337 -0.505 3.718 276 HG22 ILE 38 HG22 ILE 38 -12.435 0.744 3.125 277 HG23 ILE 38 HG23 ILE 38 -10.689 0.991 3.042 278 HD11 ILE 38 HD11 ILE 38 -9.074 0.775 0.635 279 HD12 ILE 38 HD12 ILE 38 -7.995 -0.531 1.125 280 HD13 ILE 38 HD13 ILE 38 -8.858 0.404 2.345 281 H GLY 39 HN GLY 39 -12.984 -3.789 0.625 282 HA2 GLY 39 HA2 GLY 39 -13.427 -4.854 -1.355 283 HA3 GLY 39 HA1 GLY 39 -13.969 -3.309 -1.971 284 H TYR 40 HN TYR 40 -10.719 -4.332 -0.928 285 HA TYR 40 HA TYR 40 -9.819 -3.549 -3.586 286 HB2 TYR 40 HB2 TYR 40 -8.720 -3.008 -0.988 287 HB3 TYR 40 HB1 TYR 40 -7.614 -4.025 -1.936 288 HD1 TYR 40 HD1 TYR 40 -9.598 -0.929 -2.196 289 HD2 TYR 40 HD2 TYR 40 -6.203 -3.114 -3.502 290 HE1 TYR 40 HE1 TYR 40 -8.814 1.041 -3.407 291 HE2 TYR 40 HE2 TYR 40 -5.404 -1.143 -4.729 292 HH TYR 40 HH TYR 40 -6.322 0.930 -5.672 293 H ASP 41 HN ASP 41 -8.806 -4.837 -4.845 294 HA ASP 41 HA ASP 41 -8.879 -7.697 -4.352 295 HB2 ASP 41 HB2 ASP 41 -7.769 -6.165 -6.731 296 HB3 ASP 41 HB1 ASP 41 -8.089 -7.892 -6.665 297 H SER 42 HN SER 42 -6.990 -9.022 -4.116 298 HA SER 42 HA SER 42 -4.706 -7.736 -3.101 299 HB2 SER 42 HB2 SER 42 -5.123 -10.585 -4.004 300 HB3 SER 42 HB1 SER 42 -3.725 -10.017 -3.073 301 H LEU 43 HN LEU 43 -5.587 -8.856 -6.233 302 HA LEU 43 HA LEU 43 -3.188 -8.606 -7.647 303 HB2 LEU 43 HB2 LEU 43 -5.988 -7.871 -8.507 304 HB3 LEU 43 HB1 LEU 43 -4.632 -8.134 -9.586 305 HG LEU 43 HG LEU 43 -5.739 -10.277 -7.780 306 HD11 LEU 43 HD11 LEU 43 -6.344 -9.711 -10.677 307 HD12 LEU 43 HD12 LEU 43 -7.460 -9.539 -9.316 308 HD13 LEU 43 HD13 LEU 43 -6.858 -11.132 -9.764 309 HD21 LEU 43 HD21 LEU 43 -4.533 -11.766 -9.304 310 HD22 LEU 43 HD22 LEU 43 -3.439 -10.621 -8.531 311 HD23 LEU 43 HD23 LEU 43 -3.941 -10.371 -10.205 312 H ALA 44 HN ALA 44 -5.587 -6.264 -6.613 313 HA ALA 44 HA ALA 44 -4.438 -4.010 -7.910 314 HB1 ALA 44 HB1 ALA 44 -6.400 -4.097 -5.613 315 HB2 ALA 44 HB2 ALA 44 -6.830 -4.140 -7.323 316 HB3 ALA 44 HB3 ALA 44 -6.049 -2.713 -6.644 317 H LEU 45 HN LEU 45 -4.067 -5.572 -4.834 318 HA LEU 45 HA LEU 45 -2.634 -3.473 -3.562 319 HB2 LEU 45 HB2 LEU 45 -2.466 -6.433 -3.030 320 HB3 LEU 45 HB1 LEU 45 -1.920 -5.159 -1.959 321 HG LEU 45 HG LEU 45 -4.771 -5.741 -2.722 322 HD11 LEU 45 HD11 LEU 45 -5.023 -6.288 -0.365 323 HD12 LEU 45 HD12 LEU 45 -3.302 -5.993 -0.121 324 HD13 LEU 45 HD13 LEU 45 -3.828 -7.330 -1.146 325 HD21 LEU 45 HD21 LEU 45 -3.629 -3.610 -0.932 326 HD22 LEU 45 HD22 LEU 45 -5.342 -3.981 -1.131 327 HD23 LEU 45 HD23 LEU 45 -4.410 -3.356 -2.493 328 H MET 46 HN MET 46 -1.743 -6.289 -5.426 329 HA MET 46 HA MET 46 1.054 -5.978 -5.366 330 HB2 MET 46 HB2 MET 46 -0.739 -7.104 -7.520 331 HB3 MET 46 HB1 MET 46 1.010 -7.197 -7.566 332 HG2 MET 46 HG2 MET 46 1.039 -8.602 -5.602 333 HG3 MET 46 HG1 MET 46 -0.708 -8.401 -5.406 334 HE1 MET 46 HE1 MET 46 1.153 -8.774 -8.823 335 HE2 MET 46 HE2 MET 46 1.206 -10.529 -9.018 336 HE3 MET 46 HE3 MET 46 2.139 -9.755 -7.736 337 H GLU 47 HN GLU 47 -1.410 -4.719 -7.535 338 HA GLU 47 HA GLU 47 0.216 -3.269 -9.289 339 HB2 GLU 47 HB2 GLU 47 -2.170 -3.808 -9.612 340 HB3 GLU 47 HB1 GLU 47 -2.586 -2.654 -8.362 341 HG2 GLU 47 HG2 GLU 47 -1.729 -0.837 -9.709 342 HG3 GLU 47 HG1 GLU 47 -1.215 -1.984 -10.948 343 H THR 48 HN THR 48 -1.381 -2.292 -6.305 344 HA THR 48 HA THR 48 -0.569 0.363 -6.128 345 HB THR 48 HB THR 48 -1.032 -1.662 -3.902 346 HG1 THR 48 HG1 THR 48 -2.864 -1.424 -5.187 347 HG21 THR 48 HG21 THR 48 -1.096 1.372 -3.798 348 HG22 THR 48 HG22 THR 48 0.116 0.341 -3.032 349 HG23 THR 48 HG23 THR 48 -1.559 0.295 -2.484 350 H ALA 49 HN ALA 49 0.956 -2.563 -4.767 351 HA ALA 49 HA ALA 49 3.220 -1.342 -3.698 352 HB1 ALA 49 HB1 ALA 49 4.170 -3.599 -3.651 353 HB2 ALA 49 HB2 ALA 49 2.868 -4.169 -4.697 354 HB3 ALA 49 HB3 ALA 49 2.505 -3.579 -3.077 355 H ALA 50 HN ALA 50 2.692 -2.804 -6.906 356 HA ALA 50 HA ALA 50 5.248 -2.734 -7.948 357 HB1 ALA 50 HB1 ALA 50 2.685 -2.206 -9.455 358 HB2 ALA 50 HB2 ALA 50 3.331 -3.796 -9.050 359 HB3 ALA 50 HB3 ALA 50 4.216 -2.741 -10.149 360 H ARG 51 HN ARG 51 2.914 -0.133 -7.776 361 HA ARG 51 HA ARG 51 4.293 1.752 -9.331 362 HB2 ARG 51 HB2 ARG 51 1.983 1.993 -8.978 363 HB3 ARG 51 HB1 ARG 51 2.150 1.825 -7.244 364 HG2 ARG 51 HG2 ARG 51 3.137 3.957 -7.077 365 HG3 ARG 51 HG1 ARG 51 3.148 4.152 -8.843 366 HD2 ARG 51 HD2 ARG 51 1.245 5.331 -7.738 367 HD3 ARG 51 HD1 ARG 51 0.735 4.108 -8.904 368 HE ARG 51 HE ARG 51 0.784 3.612 -5.996 369 HH11 ARG 51 HH11 ARG 51 -0.863 3.458 -9.136 370 HH12 ARG 51 HH12 ARG 51 -2.205 2.610 -8.594 371 HH21 ARG 51 HH21 ARG 51 -1.083 2.454 -5.169 372 HH22 ARG 51 HH22 ARG 51 -2.381 2.097 -6.183 373 H LEU 52 HN LEU 52 4.281 0.912 -5.944 374 HA LEU 52 HA LEU 52 5.810 3.192 -5.130 375 HB2 LEU 52 HB2 LEU 52 5.115 0.683 -3.621 376 HB3 LEU 52 HB1 LEU 52 5.736 2.171 -2.934 377 HG LEU 52 HG LEU 52 3.063 1.875 -4.304 378 HD11 LEU 52 HD11 LEU 52 2.107 2.125 -2.077 379 HD12 LEU 52 HD12 LEU 52 3.730 2.117 -1.386 380 HD13 LEU 52 HD13 LEU 52 3.113 0.681 -2.204 381 HD21 LEU 52 HD21 LEU 52 4.255 4.204 -2.795 382 HD22 LEU 52 HD22 LEU 52 2.613 4.123 -3.428 383 HD23 LEU 52 HD23 LEU 52 3.986 4.125 -4.535 384 H GLU 53 HN GLU 53 6.430 -0.114 -6.027 385 HA GLU 53 HA GLU 53 8.984 -0.563 -5.032 386 HB2 GLU 53 HB2 GLU 53 7.909 -1.370 -7.726 387 HB3 GLU 53 HB1 GLU 53 9.337 -2.031 -6.958 388 HG2 GLU 53 HG2 GLU 53 7.945 -2.939 -5.180 389 HG3 GLU 53 HG1 GLU 53 6.511 -2.288 -5.984 390 H SER 54 HN SER 54 8.119 0.635 -8.224 391 HA SER 54 HA SER 54 10.755 1.205 -9.030 392 HB2 SER 54 HB2 SER 54 8.792 0.731 -10.530 393 HB3 SER 54 HB1 SER 54 8.176 2.335 -10.150 394 HG SER 54 HG SER 54 9.865 1.614 -11.990 395 H ARG 55 HN ARG 55 8.242 3.110 -7.486 396 HA ARG 55 HA ARG 55 9.460 5.631 -7.880 397 HB2 ARG 55 HB2 ARG 55 7.075 5.442 -7.468 398 HB3 ARG 55 HB1 ARG 55 7.374 4.758 -5.885 399 HG2 ARG 55 HG2 ARG 55 6.717 7.020 -5.567 400 HG3 ARG 55 HG1 ARG 55 8.438 6.930 -5.226 401 HD2 ARG 55 HD2 ARG 55 7.211 7.914 -7.810 402 HD3 ARG 55 HD1 ARG 55 7.790 8.941 -6.509 403 HE ARG 55 HE ARG 55 9.863 7.234 -7.366 404 HH11 ARG 55 HH11 ARG 55 8.212 10.241 -8.221 405 HH12 ARG 55 HH12 ARG 55 9.322 10.691 -9.425 406 HH21 ARG 55 HH21 ARG 55 11.417 7.831 -8.983 407 HH22 ARG 55 HH22 ARG 55 11.196 9.289 -9.857 408 H TYR 56 HN TYR 56 9.524 3.365 -5.117 409 HA TYR 56 HA TYR 56 11.290 5.284 -3.798 410 HB2 TYR 56 HB2 TYR 56 9.532 3.149 -2.614 411 HB3 TYR 56 HB1 TYR 56 10.714 4.063 -1.673 412 HD1 TYR 56 HD1 TYR 56 10.517 6.531 -1.565 413 HD2 TYR 56 HD2 TYR 56 7.408 4.124 -3.158 414 HE1 TYR 56 HE1 TYR 56 8.975 8.401 -1.323 415 HE2 TYR 56 HE2 TYR 56 5.830 6.010 -2.916 416 HH TYR 56 HH TYR 56 6.988 9.173 -2.238 417 H GLY 57 HN GLY 57 11.495 2.271 -5.297 418 HA2 GLY 57 HA2 GLY 57 13.584 1.315 -5.774 419 HA3 GLY 57 HA1 GLY 57 14.262 2.165 -4.395 420 H VAL 58 HN VAL 58 11.519 -0.018 -4.723 421 HA VAL 58 HA VAL 58 12.896 -1.931 -2.994 422 HB VAL 58 HB VAL 58 10.783 -2.485 -1.813 423 HG11 VAL 58 HG11 VAL 58 10.614 -0.538 -0.360 424 HG12 VAL 58 HG12 VAL 58 11.521 0.411 -1.537 425 HG13 VAL 58 HG13 VAL 58 12.291 -0.948 -0.721 426 HG21 VAL 58 HG21 VAL 58 9.179 -1.757 -3.481 427 HG22 VAL 58 HG22 VAL 58 9.640 -0.075 -3.215 428 HG23 VAL 58 HG23 VAL 58 8.842 -0.987 -1.932 429 H SER 59 HN SER 59 11.713 -4.094 -3.101 430 HA SER 59 HA SER 59 10.168 -4.419 -5.510 431 HB2 SER 59 HB2 SER 59 11.556 -6.445 -6.106 432 HB3 SER 59 HB1 SER 59 12.385 -4.906 -6.330 433 HG SER 59 HG SER 59 13.663 -5.333 -4.595 434 H ILE 60 HN ILE 60 8.432 -5.530 -5.024 435 HA ILE 60 HA ILE 60 8.505 -7.117 -2.549 436 HB ILE 60 HB ILE 60 6.169 -5.619 -3.776 437 HG12 ILE 60 HG12 ILE 60 7.680 -5.169 -1.191 438 HG13 ILE 60 HG11 ILE 60 7.820 -4.185 -2.639 439 HG21 ILE 60 HG21 ILE 60 4.893 -6.317 -1.791 440 HG22 ILE 60 HG22 ILE 60 6.262 -7.294 -1.258 441 HG23 ILE 60 HG23 ILE 60 5.412 -7.706 -2.747 442 HD11 ILE 60 HD11 ILE 60 6.424 -3.137 -0.954 443 HD12 ILE 60 HD12 ILE 60 5.332 -4.523 -0.982 444 HD13 ILE 60 HD13 ILE 60 5.508 -3.503 -2.413 445 HA PRO 61 HA PRO 61 7.971 -10.532 -5.411 446 HB2 PRO 61 HB2 PRO 61 7.339 -11.858 -2.813 447 HB3 PRO 61 HB1 PRO 61 8.438 -12.376 -4.100 448 HG2 PRO 61 HG2 PRO 61 9.401 -11.338 -1.849 449 HG3 PRO 61 HG1 PRO 61 10.127 -10.932 -3.416 450 HD2 PRO 61 HD2 PRO 61 8.309 -9.311 -1.692 451 HD3 PRO 61 HD1 PRO 61 9.689 -8.795 -2.684 452 H ASP 62 HN ASP 62 6.263 -11.539 -6.256 453 HA ASP 62 HA ASP 62 3.807 -10.380 -6.408 454 HB2 ASP 62 HB2 ASP 62 4.482 -13.283 -6.886 455 HB3 ASP 62 HB1 ASP 62 2.930 -12.574 -7.292 456 H ASP 63 HN ASP 63 4.498 -13.246 -4.461 457 HA ASP 63 HA ASP 63 1.817 -13.528 -3.561 458 HB2 ASP 63 HB2 ASP 63 3.288 -15.445 -3.708 459 HB3 ASP 63 HB1 ASP 63 4.348 -14.755 -2.484 460 H VAL 64 HN VAL 64 4.476 -11.734 -2.336 461 HA VAL 64 HA VAL 64 3.776 -11.559 0.407 462 HB VAL 64 HB VAL 64 5.244 -9.576 -1.317 463 HG11 VAL 64 HG11 VAL 64 6.258 -8.790 0.821 464 HG12 VAL 64 HG12 VAL 64 5.233 -9.922 1.702 465 HG13 VAL 64 HG13 VAL 64 4.506 -8.581 0.817 466 HG21 VAL 64 HG21 VAL 64 6.278 -11.830 0.399 467 HG22 VAL 64 HG22 VAL 64 7.283 -10.631 -0.421 468 HG23 VAL 64 HG23 VAL 64 6.299 -11.750 -1.362 469 H ALA 65 HN ALA 65 3.100 -9.459 -2.347 470 HA ALA 65 HA ALA 65 1.694 -7.507 -0.840 471 HB1 ALA 65 HB1 ALA 65 1.610 -8.044 -3.790 472 HB2 ALA 65 HB2 ALA 65 2.745 -6.971 -2.967 473 HB3 ALA 65 HB3 ALA 65 1.021 -6.584 -2.998 474 H GLY 66 HN GLY 66 0.764 -10.576 -1.964 475 HA2 GLY 66 HA2 GLY 66 -2.071 -9.954 -1.975 476 HA3 GLY 66 HA1 GLY 66 -1.351 -11.543 -2.241 477 H ARG 67 HN ARG 67 0.243 -10.512 0.322 478 HA ARG 67 HA ARG 67 -1.572 -11.877 2.162 479 HB2 ARG 67 HB2 ARG 67 1.403 -11.615 2.063 480 HB3 ARG 67 HB1 ARG 67 0.600 -12.004 3.573 481 HG2 ARG 67 HG2 ARG 67 -0.406 -13.976 2.526 482 HG3 ARG 67 HG1 ARG 67 0.431 -13.586 1.022 483 HD2 ARG 67 HD2 ARG 67 2.022 -13.828 3.527 484 HD3 ARG 67 HD1 ARG 67 1.433 -15.297 2.761 485 HE ARG 67 HE ARG 67 2.647 -14.628 0.766 486 HH11 ARG 67 HH11 ARG 67 3.673 -12.825 3.683 487 HH12 ARG 67 HH12 ARG 67 5.313 -12.856 3.209 488 HH21 ARG 67 HH21 ARG 67 4.866 -14.615 0.212 489 HH22 ARG 67 HH22 ARG 67 6.014 -13.846 1.222 490 H VAL 68 HN VAL 68 -1.263 -8.835 1.430 491 HA VAL 68 HA VAL 68 -1.031 -7.958 4.208 492 HB VAL 68 HB VAL 68 -0.840 -5.623 3.338 493 HG11 VAL 68 HG11 VAL 68 1.137 -6.898 3.872 494 HG12 VAL 68 HG12 VAL 68 1.441 -5.865 2.473 495 HG13 VAL 68 HG13 VAL 68 1.158 -7.593 2.253 496 HG21 VAL 68 HG21 VAL 68 -1.978 -5.901 1.171 497 HG22 VAL 68 HG22 VAL 68 -0.658 -6.940 0.620 498 HG23 VAL 68 HG23 VAL 68 -0.353 -5.242 0.969 499 H ASP 69 HN ASP 69 -2.764 -7.760 5.319 500 HA ASP 69 HA ASP 69 -5.358 -7.670 3.994 501 HB2 ASP 69 HB2 ASP 69 -5.087 -9.346 5.721 502 HB3 ASP 69 HB1 ASP 69 -4.559 -8.133 6.872 503 H THR 70 HN THR 70 -3.394 -5.795 6.215 504 HA THR 70 HA THR 70 -5.399 -3.665 6.071 505 HB THR 70 HB THR 70 -4.262 -2.807 8.156 506 HG1 THR 70 HG1 THR 70 -3.176 -5.308 8.648 507 HG21 THR 70 HG21 THR 70 -5.381 -5.616 8.311 508 HG22 THR 70 HG22 THR 70 -6.332 -4.130 8.302 509 HG23 THR 70 HG23 THR 70 -5.260 -4.484 9.661 510 HA PRO 71 HA PRO 71 -2.658 -1.081 3.739 511 HB2 PRO 71 HB2 PRO 71 -3.286 1.137 5.605 512 HB3 PRO 71 HB1 PRO 71 -3.503 1.043 3.854 513 HG2 PRO 71 HG2 PRO 71 -5.596 0.886 5.481 514 HG3 PRO 71 HG1 PRO 71 -5.490 -0.126 4.026 515 HD2 PRO 71 HD2 PRO 71 -4.973 -0.856 6.881 516 HD3 PRO 71 HD1 PRO 71 -5.821 -1.772 5.621 517 H ARG 72 HN ARG 72 -2.346 -1.156 7.211 518 HA ARG 72 HA ARG 72 0.068 0.272 7.406 519 HB2 ARG 72 HB2 ARG 72 0.392 -0.749 9.606 520 HB3 ARG 72 HB1 ARG 72 -1.259 -0.191 9.412 521 HG2 ARG 72 HG2 ARG 72 -2.039 -2.428 9.092 522 HG3 ARG 72 HG1 ARG 72 -0.385 -3.043 9.052 523 HD2 ARG 72 HD2 ARG 72 -1.407 -3.481 11.207 524 HD3 ARG 72 HD1 ARG 72 -0.074 -2.347 11.365 525 HE ARG 72 HE ARG 72 -1.718 -0.565 11.543 526 HH11 ARG 72 HH11 ARG 72 -2.880 -3.894 12.114 527 HH12 ARG 72 HH12 ARG 72 -4.163 -3.419 13.108 528 HH21 ARG 72 HH21 ARG 72 -3.502 0.096 12.905 529 HH22 ARG 72 HH22 ARG 72 -4.484 -1.095 13.623 530 H GLU 73 HN GLU 73 -0.610 -3.106 6.696 531 HA GLU 73 HA GLU 73 2.071 -3.986 6.964 532 HB2 GLU 73 HB2 GLU 73 -0.208 -5.217 5.407 533 HB3 GLU 73 HB1 GLU 73 1.305 -6.013 5.807 534 HG2 GLU 73 HG2 GLU 73 0.752 -5.798 8.193 535 HG3 GLU 73 HG1 GLU 73 -0.793 -5.079 7.744 536 H LEU 74 HN LEU 74 0.086 -2.959 4.250 537 HA LEU 74 HA LEU 74 1.984 -3.493 2.212 538 HB2 LEU 74 HB2 LEU 74 -0.527 -3.091 1.967 539 HB3 LEU 74 HB1 LEU 74 -0.203 -1.390 2.169 540 HG LEU 74 HG LEU 74 -0.631 -2.139 -0.180 541 HD11 LEU 74 HD11 LEU 74 2.086 -0.917 0.270 542 HD12 LEU 74 HD12 LEU 74 0.553 -0.050 0.193 543 HD13 LEU 74 HD13 LEU 74 1.174 -0.871 -1.240 544 HD21 LEU 74 HD21 LEU 74 2.037 -3.499 0.106 545 HD22 LEU 74 HD22 LEU 74 1.159 -3.281 -1.408 546 HD23 LEU 74 HD23 LEU 74 0.475 -4.283 -0.126 547 H LEU 75 HN LEU 75 1.327 -0.646 4.185 548 HA LEU 75 HA LEU 75 3.214 1.112 3.011 549 HB2 LEU 75 HB2 LEU 75 1.364 1.790 4.525 550 HB3 LEU 75 HB1 LEU 75 2.181 0.998 5.852 551 HG LEU 75 HG LEU 75 4.069 2.643 5.562 552 HD11 LEU 75 HD11 LEU 75 2.125 3.987 3.714 553 HD12 LEU 75 HD12 LEU 75 3.666 3.256 3.266 554 HD13 LEU 75 HD13 LEU 75 3.636 4.672 4.315 555 HD21 LEU 75 HD21 LEU 75 2.359 2.923 7.289 556 HD22 LEU 75 HD22 LEU 75 1.340 3.791 6.142 557 HD23 LEU 75 HD23 LEU 75 2.883 4.478 6.648 558 H ASP 76 HN ASP 76 3.329 -1.162 5.691 559 HA ASP 76 HA ASP 76 5.925 -0.590 6.644 560 HB2 ASP 76 HB2 ASP 76 4.100 -1.762 7.912 561 HB3 ASP 76 HB1 ASP 76 4.396 -3.181 6.920 562 H LEU 77 HN LEU 77 4.738 -2.655 4.106 563 HA LEU 77 HA LEU 77 7.015 -4.250 3.706 564 HB2 LEU 77 HB2 LEU 77 5.027 -3.221 1.685 565 HB3 LEU 77 HB1 LEU 77 6.237 -4.421 1.316 566 HG LEU 77 HG LEU 77 3.919 -4.726 3.208 567 HD11 LEU 77 HD11 LEU 77 3.310 -4.770 0.859 568 HD12 LEU 77 HD12 LEU 77 3.166 -6.377 1.571 569 HD13 LEU 77 HD13 LEU 77 4.547 -5.988 0.546 570 HD21 LEU 77 HD21 LEU 77 6.070 -6.711 2.457 571 HD22 LEU 77 HD22 LEU 77 4.647 -7.051 3.437 572 HD23 LEU 77 HD23 LEU 77 5.882 -5.939 4.031 573 H ILE 78 HN ILE 78 6.103 -1.167 2.260 574 HA ILE 78 HA ILE 78 8.442 -0.870 0.659 575 HB ILE 78 HB ILE 78 6.687 1.354 1.735 576 HG12 ILE 78 HG12 ILE 78 5.281 -0.375 0.646 577 HG13 ILE 78 HG11 ILE 78 5.301 1.127 -0.264 578 HG21 ILE 78 HG21 ILE 78 7.355 2.538 -0.304 579 HG22 ILE 78 HG22 ILE 78 8.403 1.188 -0.751 580 HG23 ILE 78 HG23 ILE 78 8.744 2.129 0.703 581 HD11 ILE 78 HD11 ILE 78 5.415 -0.806 -1.724 582 HD12 ILE 78 HD12 ILE 78 6.884 -1.347 -0.907 583 HD13 ILE 78 HD13 ILE 78 6.889 0.155 -1.831 584 H ASN 79 HN ASN 79 7.374 0.761 3.621 585 HA ASN 79 HA ASN 79 9.641 2.267 4.218 586 HB2 ASN 79 HB2 ASN 79 7.682 0.995 6.144 587 HB3 ASN 79 HB1 ASN 79 8.861 2.212 6.591 588 HD21 ASN 79 HD21 ASN 79 8.500 3.861 4.236 589 HD22 ASN 79 HD22 ASN 79 6.917 4.561 4.400 590 H GLY 80 HN GLY 80 8.779 -0.991 5.334 591 HA2 GLY 80 HA2 GLY 80 11.009 -1.385 6.963 592 HA3 GLY 80 HA1 GLY 80 9.949 -2.628 6.315 593 H ALA 81 HN ALA 81 10.395 -2.318 3.579 594 HA ALA 81 HA ALA 81 12.737 -3.823 3.274 595 HB1 ALA 81 HB1 ALA 81 10.854 -3.938 1.695 596 HB2 ALA 81 HB2 ALA 81 12.388 -3.635 0.874 597 HB3 ALA 81 HB3 ALA 81 11.247 -2.316 1.125 598 H LEU 82 HN LEU 82 12.110 -0.398 2.703 599 HA LEU 82 HA LEU 82 14.659 0.213 1.657 600 HB2 LEU 82 HB2 LEU 82 12.607 1.927 3.026 601 HB3 LEU 82 HB1 LEU 82 14.106 2.575 2.395 602 HG LEU 82 HG LEU 82 12.034 1.150 0.728 603 HD11 LEU 82 HD11 LEU 82 11.181 3.263 1.601 604 HD12 LEU 82 HD12 LEU 82 11.504 3.367 -0.130 605 HD13 LEU 82 HD13 LEU 82 12.628 4.088 1.021 606 HD21 LEU 82 HD21 LEU 82 14.487 2.736 -0.016 607 HD22 LEU 82 HD22 LEU 82 13.316 2.054 -1.144 608 HD23 LEU 82 HD23 LEU 82 14.305 0.988 -0.141 609 H ALA 83 HN ALA 83 13.434 0.191 4.949 610 HA ALA 83 HA ALA 83 15.807 1.272 6.089 611 HB1 ALA 83 HB1 ALA 83 14.846 0.589 8.220 612 HB2 ALA 83 HB2 ALA 83 13.629 -0.365 7.372 613 HB3 ALA 83 HB3 ALA 83 13.641 1.392 7.215 614 H GLU 84 HN GLU 84 14.687 -1.894 5.303 615 HA GLU 84 HA GLU 84 16.660 -3.338 6.773 616 HB2 GLU 84 HB2 GLU 84 14.471 -4.280 6.258 617 HB3 GLU 84 HB1 GLU 84 14.815 -4.175 4.540 618 HG2 GLU 84 HG2 GLU 84 16.550 -5.832 4.762 619 HG3 GLU 84 HG1 GLU 84 16.309 -5.884 6.509 620 H ALA 85 HN ALA 85 16.145 -2.840 3.258 621 HA ALA 85 HA ALA 85 18.995 -2.828 2.855 622 HB1 ALA 85 HB1 ALA 85 17.248 -4.912 1.547 623 HB2 ALA 85 HB2 ALA 85 18.452 -5.214 2.800 624 HB3 ALA 85 HB3 ALA 85 18.958 -4.626 1.217 625 H ALA 86 HN ALA 86 19.019 -0.923 1.893 626 HA ALA 86 HA ALA 86 17.499 -0.695 -0.580 627 HB1 ALA 86 HB1 ALA 86 18.145 1.526 1.366 628 HB2 ALA 86 HB2 ALA 86 16.545 0.848 1.073 629 HB3 ALA 86 HB3 ALA 86 17.377 1.733 -0.208 630 H282 PNS 87 H28A PNS 87 -8.211 -12.674 -3.690 631 H281 PNS 87 H28B PNS 87 -9.272 -11.626 -2.750 632 H303 PNS 87 H30A PNS 87 -9.287 -9.229 -4.380 633 H302 PNS 87 H30B PNS 87 -10.694 -10.075 -3.723 634 H301 PNS 87 H30C PNS 87 -10.620 -9.693 -5.444 635 H313 PNS 87 H31A PNS 87 -9.004 -10.948 -6.942 636 H312 PNS 87 H31B PNS 87 -7.956 -12.163 -6.218 637 H311 PNS 87 H31C PNS 87 -7.690 -10.453 -5.873 638 H32 PNS 87 H32A PNS 87 -11.190 -12.407 -4.280 639 H33 PNS 87 H33A PNS 87 -9.339 -13.785 -5.926 640 H36 PNS 87 H36A PNS 87 -11.351 -14.122 -6.560 641 H372 PNS 87 H37A PNS 87 -13.471 -13.125 -7.954 642 H371 PNS 87 H37B PNS 87 -12.085 -12.640 -8.945 643 H382 PNS 87 H38A PNS 87 -12.676 -15.512 -8.091 644 H381 PNS 87 H38B PNS 87 -13.367 -14.780 -9.489 645 H41 PNS 87 H41A PNS 87 -10.631 -13.246 -9.695 646 H422 PNS 87 H42A PNS 87 -8.803 -15.258 -10.689 647 H421 PNS 87 H42B PNS 87 -9.547 -14.214 -11.893 648 H431 PNS 87 H43A PNS 87 -7.883 -13.305 -9.558 649 H432 PNS 87 H43B PNS 87 -8.780 -12.252 -10.638 650 H44 PNS 87 H1 PNS 87 -7.390 -12.904 -12.906 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 17.887 8.018 5.886 2 H2 MET 1 HT2 MET 1 16.887 6.953 5.070 3 H3 MET 1 HT3 MET 1 16.762 8.600 4.771 4 HA MET 1 HA MET 1 18.871 8.649 3.732 5 HB2 MET 1 HB2 MET 1 18.918 5.699 4.403 6 HB3 MET 1 HB1 MET 1 20.020 6.456 3.259 7 HG2 MET 1 HG2 MET 1 20.913 7.860 5.016 8 HG3 MET 1 HG1 MET 1 19.768 7.174 6.167 9 HE1 MET 1 HE1 MET 1 19.752 4.104 5.390 10 HE2 MET 1 HE2 MET 1 19.871 4.665 7.059 11 HE3 MET 1 HE3 MET 1 21.013 3.467 6.445 12 H ALA 2 HN ALA 2 16.742 5.785 3.436 13 HA ALA 2 HA ALA 2 16.548 6.264 0.584 14 HB1 ALA 2 HB1 ALA 2 16.735 3.948 1.387 15 HB2 ALA 2 HB2 ALA 2 15.172 4.209 0.609 16 HB3 ALA 2 HB3 ALA 2 15.284 4.162 2.366 17 H THR 3 HN THR 3 14.458 6.659 -0.386 18 HA THR 3 HA THR 3 12.962 8.606 1.021 19 HB THR 3 HB THR 3 11.548 8.460 -1.078 20 HG1 THR 3 HG1 THR 3 12.273 6.187 -1.352 21 HG21 THR 3 HG21 THR 3 14.539 8.776 -1.446 22 HG22 THR 3 HG22 THR 3 13.434 10.036 -0.888 23 HG23 THR 3 HG23 THR 3 13.298 9.408 -2.530 24 H LEU 4 HN LEU 4 11.681 7.928 2.660 25 HA LEU 4 HA LEU 4 10.096 5.506 2.291 26 HB2 LEU 4 HB2 LEU 4 10.554 7.172 4.769 27 HB3 LEU 4 HB1 LEU 4 9.590 5.714 4.701 28 HG LEU 4 HG LEU 4 12.573 5.900 4.263 29 HD11 LEU 4 HD11 LEU 4 10.957 4.673 6.480 30 HD12 LEU 4 HD12 LEU 4 11.922 6.146 6.587 31 HD13 LEU 4 HD13 LEU 4 12.711 4.592 6.314 32 HD21 LEU 4 HD21 LEU 4 11.584 4.187 2.846 33 HD22 LEU 4 HD22 LEU 4 10.759 3.497 4.244 34 HD23 LEU 4 HD23 LEU 4 12.520 3.463 4.152 35 H LEU 5 HN LEU 5 7.818 5.715 3.267 36 HA LEU 5 HA LEU 5 6.712 8.287 2.467 37 HB2 LEU 5 HB2 LEU 5 5.021 7.352 1.144 38 HB3 LEU 5 HB1 LEU 5 6.485 6.557 0.638 39 HG LEU 5 HG LEU 5 4.305 5.367 2.358 40 HD11 LEU 5 HD11 LEU 5 5.040 4.854 -0.512 41 HD12 LEU 5 HD12 LEU 5 3.594 5.676 0.078 42 HD13 LEU 5 HD13 LEU 5 3.837 3.963 0.419 43 HD21 LEU 5 HD21 LEU 5 6.391 4.328 2.959 44 HD22 LEU 5 HD22 LEU 5 6.821 4.124 1.260 45 HD23 LEU 5 HD23 LEU 5 5.473 3.217 1.946 46 H THR 6 HN THR 6 4.683 8.778 3.380 47 HA THR 6 HA THR 6 4.298 7.474 5.951 48 HB THR 6 HB THR 6 3.011 9.515 6.559 49 HG1 THR 6 HG1 THR 6 3.779 10.381 3.922 50 HG21 THR 6 HG21 THR 6 5.409 9.420 7.081 51 HG22 THR 6 HG22 THR 6 4.921 11.065 6.682 52 HG23 THR 6 HG23 THR 6 5.787 10.090 5.494 53 H THR 7 HN THR 7 1.722 8.143 6.508 54 HA THR 7 HA THR 7 0.254 6.223 5.109 55 HB THR 7 HB THR 7 -0.620 8.418 6.987 56 HG1 THR 7 HG1 THR 7 -0.331 6.821 8.570 57 HG21 THR 7 HG21 THR 7 -2.533 6.934 7.473 58 HG22 THR 7 HG22 THR 7 -1.961 5.801 6.248 59 HG23 THR 7 HG23 THR 7 -2.515 7.405 5.773 60 H ASP 8 HN ASP 8 0.394 9.779 4.946 61 HA ASP 8 HA ASP 8 -1.790 10.052 3.138 62 HB2 ASP 8 HB2 ASP 8 -0.928 11.955 4.482 63 HB3 ASP 8 HB1 ASP 8 0.534 11.952 3.496 64 H ASP 9 HN ASP 9 1.582 9.415 2.693 65 HA ASP 9 HA ASP 9 1.648 9.815 -0.132 66 HB2 ASP 9 HB2 ASP 9 3.366 7.984 1.561 67 HB3 ASP 9 HB1 ASP 9 3.636 8.336 -0.133 68 H LEU 10 HN LEU 10 1.270 6.948 1.913 69 HA LEU 10 HA LEU 10 0.790 5.066 -0.119 70 HB2 LEU 10 HB2 LEU 10 1.221 4.443 2.214 71 HB3 LEU 10 HB1 LEU 10 -0.324 5.126 2.693 72 HG LEU 10 HG LEU 10 -1.436 3.424 1.224 73 HD11 LEU 10 HD11 LEU 10 0.401 2.929 -0.254 74 HD12 LEU 10 HD12 LEU 10 -0.159 1.462 0.548 75 HD13 LEU 10 HD13 LEU 10 1.326 2.249 1.083 76 HD21 LEU 10 HD21 LEU 10 -1.139 1.574 2.797 77 HD22 LEU 10 HD22 LEU 10 -1.290 3.116 3.638 78 HD23 LEU 10 HD23 LEU 10 0.294 2.363 3.448 79 H ARG 11 HN ARG 11 -1.321 7.196 1.631 80 HA ARG 11 HA ARG 11 -3.840 6.528 0.814 81 HB2 ARG 11 HB2 ARG 11 -3.370 8.252 2.415 82 HB3 ARG 11 HB1 ARG 11 -2.582 9.230 1.197 83 HG2 ARG 11 HG2 ARG 11 -4.811 9.424 0.062 84 HG3 ARG 11 HG1 ARG 11 -5.515 8.648 1.491 85 HD2 ARG 11 HD2 ARG 11 -4.443 10.365 2.898 86 HD3 ARG 11 HD1 ARG 11 -3.883 11.172 1.438 87 HE ARG 11 HE ARG 11 -6.616 10.910 1.210 88 HH11 ARG 11 HH11 ARG 11 -4.179 12.756 2.953 89 HH12 ARG 11 HH12 ARG 11 -5.263 13.819 3.716 90 HH21 ARG 11 HH21 ARG 11 -8.202 12.444 2.193 91 HH22 ARG 11 HH22 ARG 11 -7.622 13.623 3.274 92 H ARG 12 HN ARG 12 -1.723 8.936 -0.755 93 HA ARG 12 HA ARG 12 -3.460 9.333 -2.959 94 HB2 ARG 12 HB2 ARG 12 -0.499 9.937 -2.837 95 HB3 ARG 12 HB1 ARG 12 -1.666 10.646 -3.944 96 HG2 ARG 12 HG2 ARG 12 -2.832 11.663 -2.050 97 HG3 ARG 12 HG1 ARG 12 -1.630 10.980 -0.957 98 HD2 ARG 12 HD2 ARG 12 0.105 12.246 -2.289 99 HD3 ARG 12 HD1 ARG 12 -1.238 13.081 -3.076 100 HE ARG 12 HE ARG 12 -0.905 13.081 -0.150 101 HH11 ARG 12 HH11 ARG 12 -1.322 14.973 -3.145 102 HH12 ARG 12 HH12 ARG 12 -1.490 16.438 -2.318 103 HH21 ARG 12 HH21 ARG 12 -1.123 14.977 0.913 104 HH22 ARG 12 HH22 ARG 12 -1.433 16.469 0.128 105 H ALA 13 HN ALA 13 -0.757 7.209 -2.410 106 HA ALA 13 HA ALA 13 -0.441 6.295 -5.061 107 HB1 ALA 13 HB1 ALA 13 0.202 4.881 -2.480 108 HB2 ALA 13 HB2 ALA 13 1.260 6.012 -3.321 109 HB3 ALA 13 HB3 ALA 13 0.832 4.476 -4.078 110 H LEU 14 HN LEU 14 -2.486 5.201 -2.399 111 HA LEU 14 HA LEU 14 -3.438 2.908 -3.855 112 HB2 LEU 14 HB2 LEU 14 -3.240 3.022 -1.378 113 HB3 LEU 14 HB1 LEU 14 -4.551 4.185 -1.353 114 HG LEU 14 HG LEU 14 -6.014 2.423 -2.388 115 HD11 LEU 14 HD11 LEU 14 -5.292 0.100 -2.218 116 HD12 LEU 14 HD12 LEU 14 -3.686 0.637 -1.723 117 HD13 LEU 14 HD13 LEU 14 -4.289 1.020 -3.335 118 HD21 LEU 14 HD21 LEU 14 -6.334 1.191 -0.290 119 HD22 LEU 14 HD22 LEU 14 -6.125 2.919 -0.017 120 HD23 LEU 14 HD23 LEU 14 -4.788 1.812 0.301 121 H VAL 15 HN VAL 15 -4.508 6.163 -3.192 122 HA VAL 15 HA VAL 15 -7.113 6.182 -4.127 123 HB VAL 15 HB VAL 15 -4.937 8.294 -4.074 124 HG11 VAL 15 HG11 VAL 15 -6.284 8.847 -6.060 125 HG12 VAL 15 HG12 VAL 15 -6.543 10.007 -4.756 126 HG13 VAL 15 HG13 VAL 15 -7.750 8.763 -5.083 127 HG21 VAL 15 HG21 VAL 15 -7.595 8.033 -2.690 128 HG22 VAL 15 HG22 VAL 15 -6.430 9.333 -2.447 129 HG23 VAL 15 HG23 VAL 15 -6.015 7.681 -1.992 130 H GLU 16 HN GLU 16 -4.129 6.355 -5.937 131 HA GLU 16 HA GLU 16 -5.136 7.102 -8.404 132 HB2 GLU 16 HB2 GLU 16 -2.767 7.142 -7.812 133 HB3 GLU 16 HB1 GLU 16 -2.722 5.386 -7.868 134 HG2 GLU 16 HG2 GLU 16 -3.176 5.394 -10.220 135 HG3 GLU 16 HG1 GLU 16 -3.432 7.138 -10.199 136 H SER 17 HN SER 17 -5.261 3.881 -6.963 137 HA SER 17 HA SER 17 -6.039 2.818 -9.527 138 HB2 SER 17 HB2 SER 17 -6.199 0.621 -8.182 139 HB3 SER 17 HB1 SER 17 -4.617 1.323 -8.479 140 HG SER 17 HG SER 17 -6.148 1.531 -6.083 141 H ALA 18 HN ALA 18 -7.606 4.437 -7.191 142 HA ALA 18 HA ALA 18 -10.120 2.998 -7.657 143 HB1 ALA 18 HB1 ALA 18 -9.484 5.223 -5.701 144 HB2 ALA 18 HB2 ALA 18 -9.622 3.510 -5.299 145 HB3 ALA 18 HB3 ALA 18 -11.039 4.405 -5.846 146 H GLY 19 HN GLY 19 -8.667 6.228 -7.705 147 HA2 GLY 19 HA2 GLY 19 -9.298 6.926 -10.238 148 HA3 GLY 19 HA1 GLY 19 -10.719 7.372 -9.287 149 H GLU 20 HN GLU 20 -9.030 9.216 -10.586 150 HA GLU 20 HA GLU 20 -7.180 10.340 -8.761 151 HB2 GLU 20 HB2 GLU 20 -8.695 11.753 -10.962 152 HB3 GLU 20 HB1 GLU 20 -7.249 12.346 -10.159 153 HG2 GLU 20 HG2 GLU 20 -6.019 10.386 -11.041 154 HG3 GLU 20 HG1 GLU 20 -7.468 9.934 -11.937 155 H THR 21 HN THR 21 -7.534 11.301 -6.957 156 HA THR 21 HA THR 21 -8.423 12.395 -5.233 157 HB THR 21 HB THR 21 -10.660 13.449 -7.017 158 HG1 THR 21 HG1 THR 21 -9.241 14.574 -8.062 159 HG21 THR 21 HG21 THR 21 -10.817 13.940 -4.596 160 HG22 THR 21 HG22 THR 21 -10.533 15.407 -5.535 161 HG23 THR 21 HG23 THR 21 -9.206 14.657 -4.647 162 H ASP 22 HN ASP 22 -9.376 9.649 -6.192 163 HA ASP 22 HA ASP 22 -11.737 9.599 -4.471 164 HB2 ASP 22 HB2 ASP 22 -12.492 9.282 -6.780 165 HB3 ASP 22 HB1 ASP 22 -11.364 7.942 -6.975 166 H GLY 23 HN GLY 23 -11.822 8.066 -2.933 167 HA2 GLY 23 HA2 GLY 23 -10.047 5.861 -2.998 168 HA3 GLY 23 HA1 GLY 23 -9.702 7.081 -1.763 169 H THR 24 HN THR 24 -10.885 4.340 -1.782 170 HA THR 24 HA THR 24 -13.519 4.690 -0.769 171 HB THR 24 HB THR 24 -11.793 2.230 -0.455 172 HG1 THR 24 HG1 THR 24 -12.658 1.758 -2.658 173 HG21 THR 24 HG21 THR 24 -14.002 2.288 0.622 174 HG22 THR 24 HG22 THR 24 -13.985 1.123 -0.716 175 HG23 THR 24 HG23 THR 24 -14.739 2.717 -0.920 176 H ASP 25 HN ASP 25 -12.784 6.323 0.727 177 HA ASP 25 HA ASP 25 -12.556 7.238 2.695 178 HB2 ASP 25 HB2 ASP 25 -14.119 5.363 3.470 179 HB3 ASP 25 HB1 ASP 25 -12.673 4.591 4.128 180 H LEU 26 HN LEU 26 -10.549 7.580 1.758 181 HA LEU 26 HA LEU 26 -8.393 6.637 3.505 182 HB2 LEU 26 HB2 LEU 26 -8.303 7.512 0.606 183 HB3 LEU 26 HB1 LEU 26 -6.878 7.537 1.609 184 HG LEU 26 HG LEU 26 -7.019 5.073 1.855 185 HD11 LEU 26 HD11 LEU 26 -9.272 5.255 -0.132 186 HD12 LEU 26 HD12 LEU 26 -9.422 4.762 1.551 187 HD13 LEU 26 HD13 LEU 26 -8.493 3.776 0.424 188 HD21 LEU 26 HD21 LEU 26 -6.328 4.541 -0.397 189 HD22 LEU 26 HD22 LEU 26 -5.674 6.101 0.110 190 HD23 LEU 26 HD23 LEU 26 -7.053 6.037 -0.983 191 H SER 27 HN SER 27 -9.054 8.167 4.995 192 HA SER 27 HA SER 27 -8.303 10.917 4.319 193 HB2 SER 27 HB2 SER 27 -10.762 10.134 5.894 194 HB3 SER 27 HB1 SER 27 -10.288 11.763 5.401 195 HG SER 27 HG SER 27 -10.431 9.982 3.339 196 H GLY 28 HN GLY 28 -6.612 11.291 5.645 197 HA2 GLY 28 HA2 GLY 28 -5.563 11.674 7.670 198 HA3 GLY 28 HA1 GLY 28 -6.908 10.893 8.492 199 H ASP 29 HN ASP 29 -6.996 8.573 8.479 200 HA ASP 29 HA ASP 29 -4.562 7.167 7.743 201 HB2 ASP 29 HB2 ASP 29 -4.349 7.945 10.178 202 HB3 ASP 29 HB1 ASP 29 -5.716 6.898 10.539 203 H PHE 30 HN PHE 30 -4.967 4.973 7.452 204 HA PHE 30 HA PHE 30 -7.663 3.984 7.791 205 HB2 PHE 30 HB2 PHE 30 -7.800 3.280 5.383 206 HB3 PHE 30 HB1 PHE 30 -7.887 5.017 5.623 207 HD1 PHE 30 HD1 PHE 30 -5.886 6.418 5.075 208 HD2 PHE 30 HD2 PHE 30 -6.100 2.294 4.059 209 HE1 PHE 30 HE1 PHE 30 -4.062 6.726 3.450 210 HE2 PHE 30 HE2 PHE 30 -4.286 2.594 2.436 211 HZ PHE 30 HZ PHE 30 -3.258 4.808 2.132 212 H LEU 31 HN LEU 31 -4.750 3.503 8.599 213 HA LEU 31 HA LEU 31 -3.925 1.072 7.351 214 HB2 LEU 31 HB2 LEU 31 -2.939 2.733 9.613 215 HB3 LEU 31 HB1 LEU 31 -2.399 1.076 9.510 216 HG LEU 31 HG LEU 31 -1.330 1.480 7.386 217 HD11 LEU 31 HD11 LEU 31 -2.411 4.278 7.526 218 HD12 LEU 31 HD12 LEU 31 -2.918 3.014 6.402 219 HD13 LEU 31 HD13 LEU 31 -1.270 3.648 6.336 220 HD21 LEU 31 HD21 LEU 31 0.342 3.126 8.050 221 HD22 LEU 31 HD22 LEU 31 -0.070 2.032 9.372 222 HD23 LEU 31 HD23 LEU 31 -0.720 3.672 9.346 223 H ASP 32 HN ASP 32 -6.013 1.816 9.924 224 HA ASP 32 HA ASP 32 -5.815 -0.809 11.146 225 HB2 ASP 32 HB2 ASP 32 -7.382 0.079 12.786 226 HB3 ASP 32 HB1 ASP 32 -6.027 1.178 12.572 227 H LEU 33 HN LEU 33 -7.313 0.429 8.516 228 HA LEU 33 HA LEU 33 -9.806 -1.048 8.827 229 HB2 LEU 33 HB2 LEU 33 -8.759 0.568 6.488 230 HB3 LEU 33 HB1 LEU 33 -10.353 -0.143 6.596 231 HG LEU 33 HG LEU 33 -9.296 2.104 8.320 232 HD11 LEU 33 HD11 LEU 33 -11.353 2.077 6.118 233 HD12 LEU 33 HD12 LEU 33 -9.745 2.788 6.035 234 HD13 LEU 33 HD13 LEU 33 -10.952 3.460 7.134 235 HD21 LEU 33 HD21 LEU 33 -12.028 0.817 8.242 236 HD22 LEU 33 HD22 LEU 33 -11.592 2.249 9.174 237 HD23 LEU 33 HD23 LEU 33 -10.860 0.687 9.557 238 H ARG 34 HN ARG 34 -10.334 -2.359 6.690 239 HA ARG 34 HA ARG 34 -7.906 -3.924 6.060 240 HB2 ARG 34 HB2 ARG 34 -10.742 -4.935 5.978 241 HB3 ARG 34 HB1 ARG 34 -9.279 -5.863 5.727 242 HG2 ARG 34 HG2 ARG 34 -8.666 -5.462 8.062 243 HG3 ARG 34 HG1 ARG 34 -10.227 -4.651 8.313 244 HD2 ARG 34 HD2 ARG 34 -9.694 -7.517 7.575 245 HD3 ARG 34 HD1 ARG 34 -10.525 -6.903 9.005 246 HE ARG 34 HE ARG 34 -12.117 -5.977 7.140 247 HH11 ARG 34 HH11 ARG 34 -10.663 -9.210 7.391 248 HH12 ARG 34 HH12 ARG 34 -11.930 -9.981 6.549 249 HH21 ARG 34 HH21 ARG 34 -13.788 -7.062 5.873 250 HH22 ARG 34 HH22 ARG 34 -13.622 -8.759 5.570 251 H PHE 35 HN PHE 35 -7.554 -4.448 3.960 252 HA PHE 35 HA PHE 35 -8.672 -2.773 1.982 253 HB2 PHE 35 HB2 PHE 35 -7.019 -5.275 1.726 254 HB3 PHE 35 HB1 PHE 35 -7.537 -4.312 0.350 255 HD1 PHE 35 HD2 PHE 35 -7.000 -1.682 0.727 256 HD2 PHE 35 HD1 PHE 35 -4.887 -4.955 2.425 257 HE1 PHE 35 HE2 PHE 35 -4.987 -0.282 0.921 258 HE2 PHE 35 HE1 PHE 35 -2.879 -3.565 2.620 259 HZ PHE 35 HZ PHE 35 -2.919 -1.234 1.863 260 H GLU 36 HN GLU 36 -9.393 -5.987 3.085 261 HA GLU 36 HA GLU 36 -10.965 -6.889 0.978 262 HB2 GLU 36 HB2 GLU 36 -10.184 -8.313 2.847 263 HB3 GLU 36 HB1 GLU 36 -11.319 -7.501 3.918 264 HG2 GLU 36 HG2 GLU 36 -13.180 -8.319 2.549 265 HG3 GLU 36 HG1 GLU 36 -12.036 -9.163 1.509 266 H ASP 37 HN ASP 37 -11.786 -4.841 3.718 267 HA ASP 37 HA ASP 37 -14.610 -4.925 3.238 268 HB2 ASP 37 HB2 ASP 37 -13.025 -2.947 4.895 269 HB3 ASP 37 HB1 ASP 37 -14.774 -3.069 4.858 270 H ILE 38 HN ILE 38 -11.990 -2.766 2.372 271 HA ILE 38 HA ILE 38 -13.863 -0.849 1.300 272 HB ILE 38 HB ILE 38 -11.925 0.568 0.745 273 HG12 ILE 38 HG12 ILE 38 -10.262 -1.651 1.983 274 HG13 ILE 38 HG11 ILE 38 -10.296 -1.249 0.271 275 HG21 ILE 38 HG21 ILE 38 -11.235 1.026 3.059 276 HG22 ILE 38 HG22 ILE 38 -11.932 -0.518 3.553 277 HG23 ILE 38 HG23 ILE 38 -12.973 0.756 2.919 278 HD11 ILE 38 HD11 ILE 38 -9.351 0.951 0.780 279 HD12 ILE 38 HD12 ILE 38 -8.314 -0.354 1.345 280 HD13 ILE 38 HD13 ILE 38 -9.314 0.537 2.493 281 H GLY 39 HN GLY 39 -13.432 -3.527 0.073 282 HA2 GLY 39 HA2 GLY 39 -13.982 -4.250 -2.072 283 HA3 GLY 39 HA1 GLY 39 -13.870 -2.588 -2.610 284 H TYR 40 HN TYR 40 -11.009 -3.507 -1.030 285 HA TYR 40 HA TYR 40 -9.715 -3.782 -3.596 286 HB2 TYR 40 HB2 TYR 40 -8.988 -2.755 -0.947 287 HB3 TYR 40 HB1 TYR 40 -7.724 -3.646 -1.778 288 HD1 TYR 40 HD1 TYR 40 -9.965 -0.697 -1.972 289 HD2 TYR 40 HD2 TYR 40 -6.629 -2.724 -3.652 290 HE1 TYR 40 HE1 TYR 40 -9.444 1.291 -3.331 291 HE2 TYR 40 HE2 TYR 40 -6.083 -0.782 -4.996 292 HH TYR 40 HH TYR 40 -7.405 2.272 -4.456 293 H ASP 41 HN ASP 41 -8.071 -5.411 -3.856 294 HA ASP 41 HA ASP 41 -8.187 -7.605 -1.969 295 HB2 ASP 41 HB2 ASP 41 -8.709 -9.279 -3.524 296 HB3 ASP 41 HB1 ASP 41 -9.826 -7.993 -3.950 297 H SER 42 HN SER 42 -6.594 -9.250 -2.664 298 HA SER 42 HA SER 42 -4.046 -8.593 -2.352 299 HB2 SER 42 HB2 SER 42 -4.792 -10.801 -4.203 300 HB3 SER 42 HB1 SER 42 -3.650 -10.800 -2.846 301 H LEU 43 HN LEU 43 -5.599 -8.974 -5.594 302 HA LEU 43 HA LEU 43 -3.145 -8.612 -7.008 303 HB2 LEU 43 HB2 LEU 43 -6.012 -8.733 -7.901 304 HB3 LEU 43 HB1 LEU 43 -4.731 -8.341 -9.023 305 HG LEU 43 HG LEU 43 -5.349 -10.654 -9.244 306 HD11 LEU 43 HD11 LEU 43 -3.178 -11.720 -8.956 307 HD12 LEU 43 HD12 LEU 43 -2.653 -10.365 -7.959 308 HD13 LEU 43 HD13 LEU 43 -3.052 -10.109 -9.659 309 HD21 LEU 43 HD21 LEU 43 -6.224 -11.101 -7.010 310 HD22 LEU 43 HD22 LEU 43 -4.599 -10.982 -6.337 311 HD23 LEU 43 HD23 LEU 43 -4.999 -12.292 -7.446 312 H ALA 44 HN ALA 44 -5.773 -6.532 -6.133 313 HA ALA 44 HA ALA 44 -4.949 -4.297 -7.683 314 HB1 ALA 44 HB1 ALA 44 -6.503 -3.025 -6.269 315 HB2 ALA 44 HB2 ALA 44 -6.630 -4.400 -5.173 316 HB3 ALA 44 HB3 ALA 44 -7.236 -4.530 -6.826 317 H LEU 45 HN LEU 45 -4.103 -5.605 -4.627 318 HA LEU 45 HA LEU 45 -2.759 -3.295 -3.647 319 HB2 LEU 45 HB2 LEU 45 -2.581 -6.159 -2.774 320 HB3 LEU 45 HB1 LEU 45 -1.978 -4.770 -1.884 321 HG LEU 45 HG LEU 45 -4.855 -5.243 -2.576 322 HD11 LEU 45 HD11 LEU 45 -4.037 -6.853 -0.976 323 HD12 LEU 45 HD12 LEU 45 -5.121 -5.691 -0.208 324 HD13 LEU 45 HD13 LEU 45 -3.374 -5.553 0.014 325 HD21 LEU 45 HD21 LEU 45 -5.247 -3.380 -1.039 326 HD22 LEU 45 HD22 LEU 45 -4.278 -2.902 -2.439 327 HD23 LEU 45 HD23 LEU 45 -3.500 -3.175 -0.879 328 H MET 46 HN MET 46 -1.843 -6.319 -5.196 329 HA MET 46 HA MET 46 0.942 -6.060 -5.169 330 HB2 MET 46 HB2 MET 46 -0.895 -7.327 -7.211 331 HB3 MET 46 HB1 MET 46 0.857 -7.441 -7.295 332 HG2 MET 46 HG2 MET 46 0.952 -8.682 -5.255 333 HG3 MET 46 HG1 MET 46 -0.741 -8.330 -4.933 334 HE1 MET 46 HE1 MET 46 0.587 -9.249 -8.496 335 HE2 MET 46 HE2 MET 46 0.493 -11.010 -8.487 336 HE3 MET 46 HE3 MET 46 1.681 -10.184 -7.477 337 H GLU 47 HN GLU 47 -1.433 -4.908 -7.453 338 HA GLU 47 HA GLU 47 0.139 -3.561 -9.306 339 HB2 GLU 47 HB2 GLU 47 -2.295 -3.954 -9.425 340 HB3 GLU 47 HB1 GLU 47 -2.526 -2.779 -8.149 341 HG2 GLU 47 HG2 GLU 47 -1.440 -1.090 -9.647 342 HG3 GLU 47 HG1 GLU 47 -1.570 -2.285 -10.940 343 H THR 48 HN THR 48 -1.409 -2.349 -6.366 344 HA THR 48 HA THR 48 -0.501 0.268 -6.346 345 HB THR 48 HB THR 48 -1.104 -1.528 -3.970 346 HG1 THR 48 HG1 THR 48 -2.919 -1.444 -5.322 347 HG21 THR 48 HG21 THR 48 -1.164 1.495 -4.222 348 HG22 THR 48 HG22 THR 48 0.026 0.565 -3.308 349 HG23 THR 48 HG23 THR 48 -1.665 0.573 -2.806 350 H ALA 49 HN ALA 49 0.925 -2.587 -4.742 351 HA ALA 49 HA ALA 49 3.144 -1.254 -3.665 352 HB1 ALA 49 HB1 ALA 49 4.091 -3.468 -3.319 353 HB2 ALA 49 HB2 ALA 49 2.900 -4.166 -4.413 354 HB3 ALA 49 HB3 ALA 49 2.382 -3.452 -2.888 355 H ALA 50 HN ALA 50 2.717 -2.980 -6.745 356 HA ALA 50 HA ALA 50 5.357 -2.928 -7.613 357 HB1 ALA 50 HB1 ALA 50 4.487 -3.331 -9.837 358 HB2 ALA 50 HB2 ALA 50 2.880 -2.812 -9.320 359 HB3 ALA 50 HB3 ALA 50 3.593 -4.275 -8.644 360 H ARG 51 HN ARG 51 2.816 -0.504 -8.129 361 HA ARG 51 HA ARG 51 4.538 1.111 -9.711 362 HB2 ARG 51 HB2 ARG 51 2.877 2.927 -9.479 363 HB3 ARG 51 HB1 ARG 51 2.160 1.411 -9.987 364 HG2 ARG 51 HG2 ARG 51 1.399 1.047 -7.676 365 HG3 ARG 51 HG1 ARG 51 2.056 2.632 -7.248 366 HD2 ARG 51 HD2 ARG 51 0.586 3.715 -8.804 367 HD3 ARG 51 HD1 ARG 51 0.007 2.160 -9.399 368 HE ARG 51 HE ARG 51 -0.488 3.242 -6.719 369 HH11 ARG 51 HH11 ARG 51 -1.539 1.468 -9.550 370 HH12 ARG 51 HH12 ARG 51 -2.957 0.812 -8.894 371 HH21 ARG 51 HH21 ARG 51 -2.448 2.542 -5.767 372 HH22 ARG 51 HH22 ARG 51 -3.542 1.524 -6.582 373 H LEU 52 HN LEU 52 4.147 0.737 -6.350 374 HA LEU 52 HA LEU 52 5.553 3.142 -5.658 375 HB2 LEU 52 HB2 LEU 52 4.870 0.701 -4.020 376 HB3 LEU 52 HB1 LEU 52 5.675 2.118 -3.380 377 HG LEU 52 HG LEU 52 2.888 2.060 -4.530 378 HD11 LEU 52 HD11 LEU 52 3.030 0.928 -2.380 379 HD12 LEU 52 HD12 LEU 52 2.181 2.464 -2.224 380 HD13 LEU 52 HD13 LEU 52 3.857 2.322 -1.686 381 HD21 LEU 52 HD21 LEU 52 3.997 4.191 -4.920 382 HD22 LEU 52 HD22 LEU 52 4.440 4.286 -3.216 383 HD23 LEU 52 HD23 LEU 52 2.743 4.356 -3.691 384 H GLU 53 HN GLU 53 6.313 -0.247 -6.164 385 HA GLU 53 HA GLU 53 8.991 -0.267 -5.395 386 HB2 GLU 53 HB2 GLU 53 7.706 -1.713 -7.727 387 HB3 GLU 53 HB1 GLU 53 9.297 -2.069 -7.083 388 HG2 GLU 53 HG2 GLU 53 8.259 -2.715 -4.950 389 HG3 GLU 53 HG1 GLU 53 6.672 -2.400 -5.651 390 H SER 54 HN SER 54 7.534 0.463 -8.525 391 HA SER 54 HA SER 54 9.864 1.161 -9.880 392 HB2 SER 54 HB2 SER 54 7.060 2.167 -10.364 393 HB3 SER 54 HB1 SER 54 8.380 2.107 -11.535 394 HG SER 54 HG SER 54 8.370 -0.254 -10.924 395 H ARG 55 HN ARG 55 7.925 3.015 -7.631 396 HA ARG 55 HA ARG 55 9.058 5.507 -8.595 397 HB2 ARG 55 HB2 ARG 55 6.628 5.325 -7.926 398 HB3 ARG 55 HB1 ARG 55 7.170 5.178 -6.257 399 HG2 ARG 55 HG2 ARG 55 8.136 7.371 -6.312 400 HG3 ARG 55 HG1 ARG 55 7.822 7.514 -8.039 401 HD2 ARG 55 HD2 ARG 55 6.135 8.780 -7.024 402 HD3 ARG 55 HD1 ARG 55 5.359 7.262 -7.445 403 HE ARG 55 HE ARG 55 6.394 7.414 -4.762 404 HH11 ARG 55 HH11 ARG 55 3.530 7.709 -6.834 405 HH12 ARG 55 HH12 ARG 55 2.445 7.998 -5.548 406 HH21 ARG 55 HH21 ARG 55 4.844 7.762 -2.949 407 HH22 ARG 55 HH22 ARG 55 3.199 8.044 -3.342 408 H TYR 56 HN TYR 56 9.198 3.525 -5.671 409 HA TYR 56 HA TYR 56 11.040 5.444 -4.473 410 HB2 TYR 56 HB2 TYR 56 9.636 3.046 -3.320 411 HB3 TYR 56 HB1 TYR 56 10.824 3.998 -2.434 412 HD1 TYR 56 HD2 TYR 56 7.478 4.007 -3.932 413 HD2 TYR 56 HD1 TYR 56 10.263 6.178 -1.581 414 HE1 TYR 56 HE2 TYR 56 5.693 5.544 -3.261 415 HE2 TYR 56 HE1 TYR 56 8.488 7.725 -0.900 416 HH TYR 56 HH TYR 56 5.139 7.138 -1.778 417 H GLY 57 HN GLY 57 11.195 2.405 -6.070 418 HA2 GLY 57 HA2 GLY 57 13.122 1.273 -6.688 419 HA3 GLY 57 HA1 GLY 57 14.055 2.356 -5.654 420 H VAL 58 HN VAL 58 11.601 -0.166 -5.413 421 HA VAL 58 HA VAL 58 13.083 -1.402 -3.252 422 HB VAL 58 HB VAL 58 11.387 0.146 -2.220 423 HG11 VAL 58 HG11 VAL 58 9.336 -1.567 -3.563 424 HG12 VAL 58 HG12 VAL 58 9.681 0.137 -3.867 425 HG13 VAL 58 HG13 VAL 58 9.003 -0.363 -2.317 426 HG21 VAL 58 HG21 VAL 58 12.055 -1.807 -0.936 427 HG22 VAL 58 HG22 VAL 58 10.796 -2.770 -1.712 428 HG23 VAL 58 HG23 VAL 58 10.357 -1.434 -0.650 429 H SER 59 HN SER 59 12.054 -3.703 -2.864 430 HA SER 59 HA SER 59 10.765 -4.636 -5.312 431 HB2 SER 59 HB2 SER 59 13.047 -6.013 -3.868 432 HB3 SER 59 HB1 SER 59 12.234 -6.579 -5.332 433 HG SER 59 HG SER 59 12.903 -4.205 -5.929 434 H ILE 60 HN ILE 60 8.913 -5.572 -4.809 435 HA ILE 60 HA ILE 60 8.682 -7.010 -2.258 436 HB ILE 60 HB ILE 60 6.547 -5.263 -3.534 437 HG12 ILE 60 HG12 ILE 60 8.042 -4.943 -0.918 438 HG13 ILE 60 HG11 ILE 60 8.291 -3.973 -2.369 439 HG21 ILE 60 HG21 ILE 60 5.563 -7.250 -2.514 440 HG22 ILE 60 HG22 ILE 60 5.177 -5.814 -1.561 441 HG23 ILE 60 HG23 ILE 60 6.427 -6.926 -1.010 442 HD11 ILE 60 HD11 ILE 60 6.958 -2.792 -0.726 443 HD12 ILE 60 HD12 ILE 60 5.773 -4.101 -0.736 444 HD13 ILE 60 HD13 ILE 60 6.015 -3.119 -2.179 445 HA PRO 61 HA PRO 61 7.718 -10.270 -5.196 446 HB2 PRO 61 HB2 PRO 61 6.997 -11.652 -2.674 447 HB3 PRO 61 HB1 PRO 61 8.095 -12.163 -3.964 448 HG2 PRO 61 HG2 PRO 61 9.044 -11.306 -1.623 449 HG3 PRO 61 HG1 PRO 61 9.855 -10.906 -3.148 450 HD2 PRO 61 HD2 PRO 61 8.097 -9.213 -1.434 451 HD3 PRO 61 HD1 PRO 61 9.568 -8.773 -2.330 452 H ASP 62 HN ASP 62 5.880 -11.347 -5.864 453 HA ASP 62 HA ASP 62 3.471 -9.916 -5.806 454 HB2 ASP 62 HB2 ASP 62 3.827 -12.827 -6.539 455 HB3 ASP 62 HB1 ASP 62 2.524 -11.759 -7.046 456 H ASP 63 HN ASP 63 4.390 -12.942 -4.306 457 HA ASP 63 HA ASP 63 1.984 -13.638 -3.058 458 HB2 ASP 63 HB2 ASP 63 4.821 -14.295 -2.249 459 HB3 ASP 63 HB1 ASP 63 3.386 -15.090 -1.613 460 H VAL 64 HN VAL 64 4.294 -11.297 -2.219 461 HA VAL 64 HA VAL 64 3.590 -11.139 0.599 462 HB VAL 64 HB VAL 64 5.324 -9.375 -1.123 463 HG11 VAL 64 HG11 VAL 64 6.263 -8.556 1.033 464 HG12 VAL 64 HG12 VAL 64 5.094 -9.547 1.900 465 HG13 VAL 64 HG13 VAL 64 4.539 -8.205 0.899 466 HG21 VAL 64 HG21 VAL 64 6.194 -11.629 -0.994 467 HG22 VAL 64 HG22 VAL 64 6.080 -11.601 0.766 468 HG23 VAL 64 HG23 VAL 64 7.220 -10.539 -0.064 469 H ALA 65 HN ALA 65 3.538 -8.961 -2.208 470 HA ALA 65 HA ALA 65 2.005 -6.892 -1.081 471 HB1 ALA 65 HB1 ALA 65 1.654 -6.138 -3.363 472 HB2 ALA 65 HB2 ALA 65 2.176 -7.706 -3.979 473 HB3 ALA 65 HB3 ALA 65 3.325 -6.664 -3.143 474 H GLY 66 HN GLY 66 1.009 -9.834 -2.734 475 HA2 GLY 66 HA2 GLY 66 -1.778 -9.043 -2.476 476 HA3 GLY 66 HA1 GLY 66 -1.163 -10.444 -3.338 477 H ARG 67 HN ARG 67 -0.353 -9.486 -0.076 478 HA ARG 67 HA ARG 67 -2.030 -11.631 1.047 479 HB2 ARG 67 HB2 ARG 67 0.245 -12.527 0.611 480 HB3 ARG 67 HB1 ARG 67 0.918 -11.258 1.610 481 HG2 ARG 67 HG2 ARG 67 -0.302 -12.206 3.551 482 HG3 ARG 67 HG1 ARG 67 -0.839 -13.532 2.514 483 HD2 ARG 67 HD2 ARG 67 1.133 -14.154 3.806 484 HD3 ARG 67 HD1 ARG 67 1.470 -14.141 2.074 485 HE ARG 67 HE ARG 67 2.122 -11.719 3.573 486 HH11 ARG 67 HH11 ARG 67 3.325 -14.700 2.149 487 HH12 ARG 67 HH12 ARG 67 4.923 -14.158 1.987 488 HH21 ARG 67 HH21 ARG 67 4.266 -10.995 3.453 489 HH22 ARG 67 HH22 ARG 67 5.498 -12.017 2.808 490 H VAL 68 HN VAL 68 -1.293 -8.480 1.044 491 HA VAL 68 HA VAL 68 -1.249 -8.164 3.927 492 HB VAL 68 HB VAL 68 -0.855 -5.740 3.490 493 HG11 VAL 68 HG11 VAL 68 1.017 -7.232 3.796 494 HG12 VAL 68 HG12 VAL 68 1.425 -5.980 2.620 495 HG13 VAL 68 HG13 VAL 68 1.028 -7.613 2.075 496 HG21 VAL 68 HG21 VAL 68 -1.964 -5.516 1.304 497 HG22 VAL 68 HG22 VAL 68 -0.732 -6.555 0.579 498 HG23 VAL 68 HG23 VAL 68 -0.285 -4.977 1.221 499 H ASP 69 HN ASP 69 -2.987 -7.800 5.038 500 HA ASP 69 HA ASP 69 -5.470 -7.353 3.539 501 HB2 ASP 69 HB2 ASP 69 -5.428 -9.297 5.055 502 HB3 ASP 69 HB1 ASP 69 -5.065 -8.233 6.399 503 H THR 70 HN THR 70 -3.387 -5.937 5.887 504 HA THR 70 HA THR 70 -5.282 -3.721 6.136 505 HB THR 70 HB THR 70 -4.057 -3.127 8.241 506 HG1 THR 70 HG1 THR 70 -2.629 -5.507 7.568 507 HG21 THR 70 HG21 THR 70 -4.992 -4.968 9.603 508 HG22 THR 70 HG22 THR 70 -5.211 -5.920 8.127 509 HG23 THR 70 HG23 THR 70 -6.118 -4.429 8.356 510 HA PRO 71 HA PRO 71 -2.589 -1.158 3.739 511 HB2 PRO 71 HB2 PRO 71 -3.445 0.977 5.630 512 HB3 PRO 71 HB1 PRO 71 -3.507 0.949 3.859 513 HG2 PRO 71 HG2 PRO 71 -5.730 0.609 5.218 514 HG3 PRO 71 HG1 PRO 71 -5.387 -0.438 3.822 515 HD2 PRO 71 HD2 PRO 71 -5.074 -1.028 6.744 516 HD3 PRO 71 HD1 PRO 71 -5.779 -2.039 5.458 517 H ARG 72 HN ARG 72 -2.397 -1.243 7.185 518 HA ARG 72 HA ARG 72 -0.097 0.239 7.666 519 HB2 ARG 72 HB2 ARG 72 -1.543 -0.627 9.443 520 HB3 ARG 72 HB1 ARG 72 -1.050 -2.270 9.055 521 HG2 ARG 72 HG2 ARG 72 1.253 -1.715 9.720 522 HG3 ARG 72 HG1 ARG 72 0.717 -0.086 10.144 523 HD2 ARG 72 HD2 ARG 72 -0.303 -2.649 11.355 524 HD3 ARG 72 HD1 ARG 72 0.862 -1.555 12.102 525 HE ARG 72 HE ARG 72 -0.920 0.148 12.023 526 HH11 ARG 72 HH11 ARG 72 -1.834 -3.312 12.031 527 HH12 ARG 72 HH12 ARG 72 -3.305 -3.068 12.839 528 HH21 ARG 72 HH21 ARG 72 -2.999 0.455 13.148 529 HH22 ARG 72 HH22 ARG 72 -3.984 -0.893 13.487 530 H GLU 73 HN GLU 73 -0.550 -3.147 6.783 531 HA GLU 73 HA GLU 73 2.131 -3.974 6.916 532 HB2 GLU 73 HB2 GLU 73 -0.126 -5.037 5.230 533 HB3 GLU 73 HB1 GLU 73 1.385 -5.867 5.568 534 HG2 GLU 73 HG2 GLU 73 0.833 -6.026 7.889 535 HG3 GLU 73 HG1 GLU 73 -0.620 -5.054 7.643 536 H LEU 74 HN LEU 74 0.121 -2.833 4.238 537 HA LEU 74 HA LEU 74 1.987 -3.221 2.160 538 HB2 LEU 74 HB2 LEU 74 -0.584 -2.593 2.125 539 HB3 LEU 74 HB1 LEU 74 0.009 -0.951 2.120 540 HG LEU 74 HG LEU 74 0.535 -3.031 -0.018 541 HD11 LEU 74 HD11 LEU 74 -0.900 -1.671 -1.429 542 HD12 LEU 74 HD12 LEU 74 -1.253 -0.626 -0.052 543 HD13 LEU 74 HD13 LEU 74 -1.750 -2.320 -0.026 544 HD21 LEU 74 HD21 LEU 74 1.258 -0.094 0.007 545 HD22 LEU 74 HD22 LEU 74 1.463 -1.191 -1.357 546 HD23 LEU 74 HD23 LEU 74 2.399 -1.435 0.119 547 H LEU 75 HN LEU 75 1.304 -0.416 4.200 548 HA LEU 75 HA LEU 75 3.180 1.374 3.107 549 HB2 LEU 75 HB2 LEU 75 1.321 1.976 4.630 550 HB3 LEU 75 HB1 LEU 75 2.143 1.152 5.930 551 HG LEU 75 HG LEU 75 3.990 2.794 5.784 552 HD11 LEU 75 HD11 LEU 75 2.190 4.142 3.797 553 HD12 LEU 75 HD12 LEU 75 3.741 3.380 3.440 554 HD13 LEU 75 HD13 LEU 75 3.674 4.808 4.473 555 HD21 LEU 75 HD21 LEU 75 1.242 3.978 6.114 556 HD22 LEU 75 HD22 LEU 75 2.748 4.658 6.733 557 HD23 LEU 75 HD23 LEU 75 2.157 3.113 7.349 558 H ASP 76 HN ASP 76 3.327 -0.907 5.788 559 HA ASP 76 HA ASP 76 5.915 -0.289 6.670 560 HB2 ASP 76 HB2 ASP 76 4.254 -1.406 8.080 561 HB3 ASP 76 HB1 ASP 76 4.333 -2.831 7.050 562 H LEU 77 HN LEU 77 4.748 -2.509 4.234 563 HA LEU 77 HA LEU 77 7.050 -4.037 3.835 564 HB2 LEU 77 HB2 LEU 77 5.058 -3.067 1.786 565 HB3 LEU 77 HB1 LEU 77 6.279 -4.272 1.458 566 HG LEU 77 HG LEU 77 3.974 -4.536 3.370 567 HD11 LEU 77 HD11 LEU 77 4.556 -5.853 0.729 568 HD12 LEU 77 HD12 LEU 77 3.319 -4.632 1.039 569 HD13 LEU 77 HD13 LEU 77 3.193 -6.223 1.787 570 HD21 LEU 77 HD21 LEU 77 4.713 -6.859 3.636 571 HD22 LEU 77 HD22 LEU 77 5.943 -5.725 4.196 572 HD23 LEU 77 HD23 LEU 77 6.128 -6.519 2.635 573 H ILE 78 HN ILE 78 6.098 -1.016 2.267 574 HA ILE 78 HA ILE 78 8.453 -0.666 0.728 575 HB ILE 78 HB ILE 78 6.681 1.530 1.846 576 HG12 ILE 78 HG12 ILE 78 5.334 -0.182 0.623 577 HG13 ILE 78 HG11 ILE 78 5.325 1.388 -0.166 578 HG21 ILE 78 HG21 ILE 78 8.773 2.334 0.897 579 HG22 ILE 78 HG22 ILE 78 7.413 2.802 -0.122 580 HG23 ILE 78 HG23 ILE 78 8.452 1.460 -0.604 581 HD11 ILE 78 HD11 ILE 78 6.965 -1.001 -0.979 582 HD12 ILE 78 HD12 ILE 78 6.971 0.571 -1.780 583 HD13 ILE 78 HD13 ILE 78 5.507 -0.412 -1.776 584 H ASN 79 HN ASN 79 7.378 0.851 3.750 585 HA ASN 79 HA ASN 79 9.614 2.374 4.423 586 HB2 ASN 79 HB2 ASN 79 7.688 0.937 6.265 587 HB3 ASN 79 HB1 ASN 79 8.894 2.072 6.828 588 HD21 ASN 79 HD21 ASN 79 8.521 3.959 4.653 589 HD22 ASN 79 HD22 ASN 79 6.958 4.680 4.967 590 H GLY 80 HN GLY 80 8.889 -0.924 5.505 591 HA2 GLY 80 HA2 GLY 80 11.160 -1.251 7.075 592 HA3 GLY 80 HA1 GLY 80 10.162 -2.533 6.414 593 H ALA 81 HN ALA 81 10.528 -2.420 3.759 594 HA ALA 81 HA ALA 81 12.990 -3.714 3.491 595 HB1 ALA 81 HB1 ALA 81 11.055 -4.198 2.074 596 HB2 ALA 81 HB2 ALA 81 12.497 -3.849 1.120 597 HB3 ALA 81 HB3 ALA 81 11.236 -2.626 1.298 598 H LEU 82 HN LEU 82 12.047 -0.424 2.745 599 HA LEU 82 HA LEU 82 14.538 0.177 1.492 600 HB2 LEU 82 HB2 LEU 82 12.307 1.934 2.474 601 HB3 LEU 82 HB1 LEU 82 13.752 2.559 1.701 602 HG LEU 82 HG LEU 82 11.789 0.655 0.424 603 HD11 LEU 82 HD11 LEU 82 10.844 2.872 0.755 604 HD12 LEU 82 HD12 LEU 82 11.168 2.570 -0.950 605 HD13 LEU 82 HD13 LEU 82 12.256 3.595 -0.012 606 HD21 LEU 82 HD21 LEU 82 13.035 1.119 -1.619 607 HD22 LEU 82 HD22 LEU 82 14.066 0.374 -0.396 608 HD23 LEU 82 HD23 LEU 82 14.173 2.108 -0.703 609 H ALA 83 HN ALA 83 13.311 0.427 4.751 610 HA ALA 83 HA ALA 83 15.501 2.046 5.652 611 HB1 ALA 83 HB1 ALA 83 13.299 2.166 6.727 612 HB2 ALA 83 HB2 ALA 83 14.574 1.749 7.877 613 HB3 ALA 83 HB3 ALA 83 13.486 0.500 7.273 614 H GLU 84 HN GLU 84 14.922 -1.335 5.301 615 HA GLU 84 HA GLU 84 17.174 -2.020 7.008 616 HB2 GLU 84 HB2 GLU 84 16.609 -4.358 6.542 617 HB3 GLU 84 HB1 GLU 84 15.181 -3.473 7.054 618 HG2 GLU 84 HG2 GLU 84 14.518 -3.259 4.688 619 HG3 GLU 84 HG1 GLU 84 15.903 -4.248 4.242 620 H ALA 85 HN ALA 85 16.539 -1.348 3.725 621 HA ALA 85 HA ALA 85 18.800 -2.774 2.691 622 HB1 ALA 85 HB1 ALA 85 18.273 -1.707 0.558 623 HB2 ALA 85 HB2 ALA 85 17.102 -0.660 1.360 624 HB3 ALA 85 HB3 ALA 85 16.822 -2.401 1.284 625 H ALA 86 HN ALA 86 20.301 -1.907 4.143 626 HA ALA 86 HA ALA 86 21.631 0.429 3.102 627 HB1 ALA 86 HB1 ALA 86 20.231 1.352 4.895 628 HB2 ALA 86 HB2 ALA 86 21.932 1.388 5.353 629 HB3 ALA 86 HB3 ALA 86 20.867 0.151 6.019 630 H282 PNS 87 H28A PNS 87 -7.914 -12.254 -1.708 631 H281 PNS 87 H28B PNS 87 -6.867 -13.576 -1.196 632 H303 PNS 87 H30A PNS 87 -8.636 -14.378 1.899 633 H302 PNS 87 H30B PNS 87 -7.213 -13.345 1.740 634 H301 PNS 87 H30C PNS 87 -7.328 -14.835 0.808 635 H313 PNS 87 H31A PNS 87 -10.133 -12.455 1.315 636 H312 PNS 87 H31B PNS 87 -9.815 -11.522 -0.147 637 H311 PNS 87 H31C PNS 87 -8.699 -11.431 1.217 638 H32 PNS 87 H32A PNS 87 -9.984 -13.678 -1.525 639 H33 PNS 87 H33A PNS 87 -11.443 -14.441 -0.274 640 H36 PNS 87 H36A PNS 87 -10.013 -16.467 -0.022 641 H372 PNS 87 H37A PNS 87 -9.431 -18.365 -1.731 642 H371 PNS 87 H37B PNS 87 -7.795 -17.784 -1.448 643 H382 PNS 87 H38A PNS 87 -8.037 -18.270 0.943 644 H381 PNS 87 H38B PNS 87 -9.630 -18.972 0.622 645 H41 PNS 87 H41A PNS 87 -8.138 -20.593 1.830 646 H422 PNS 87 H42A PNS 87 -7.827 -22.841 0.277 647 H421 PNS 87 H42B PNS 87 -6.217 -22.126 0.467 648 H431 PNS 87 H43A PNS 87 -6.446 -22.228 2.860 649 H432 PNS 87 H43B PNS 87 -6.762 -23.836 2.188 650 H44 PNS 87 H1 PNS 87 -9.537 -23.524 2.350 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 20.218 6.251 2.567 2 H2 MET 1 HT2 MET 1 19.201 5.028 3.059 3 H3 MET 1 HT3 MET 1 20.319 5.669 4.171 4 HA MET 1 HA MET 1 18.145 6.487 4.643 5 HB2 MET 1 HB2 MET 1 19.679 8.617 3.121 6 HB3 MET 1 HB1 MET 1 18.427 8.913 4.317 7 HG2 MET 1 HG2 MET 1 21.101 7.641 4.832 8 HG3 MET 1 HG1 MET 1 20.645 9.297 5.223 9 HE1 MET 1 HE1 MET 1 21.936 7.215 7.264 10 HE2 MET 1 HE2 MET 1 20.982 7.533 8.712 11 HE3 MET 1 HE3 MET 1 21.523 8.873 7.702 12 H ALA 2 HN ALA 2 16.390 5.781 3.649 13 HA ALA 2 HA ALA 2 15.872 6.710 0.913 14 HB1 ALA 2 HB1 ALA 2 14.324 4.830 0.738 15 HB2 ALA 2 HB2 ALA 2 14.693 4.363 2.398 16 HB3 ALA 2 HB3 ALA 2 15.944 4.274 1.160 17 H THR 3 HN THR 3 13.930 7.649 0.460 18 HA THR 3 HA THR 3 12.644 8.941 2.670 19 HB THR 3 HB THR 3 13.081 10.253 0.678 20 HG1 THR 3 HG1 THR 3 10.494 10.422 0.164 21 HG21 THR 3 HG21 THR 3 13.020 8.526 -1.048 22 HG22 THR 3 HG22 THR 3 11.955 9.861 -1.486 23 HG23 THR 3 HG23 THR 3 11.275 8.362 -0.848 24 H LEU 4 HN LEU 4 11.226 7.853 3.836 25 HA LEU 4 HA LEU 4 9.853 5.583 2.757 26 HB2 LEU 4 HB2 LEU 4 9.669 6.855 5.480 27 HB3 LEU 4 HB1 LEU 4 8.898 5.349 5.024 28 HG LEU 4 HG LEU 4 11.869 5.865 5.178 29 HD11 LEU 4 HD11 LEU 4 10.806 5.659 7.345 30 HD12 LEU 4 HD12 LEU 4 11.805 4.248 7.000 31 HD13 LEU 4 HD13 LEU 4 10.048 4.149 6.840 32 HD21 LEU 4 HD21 LEU 4 12.120 3.483 4.697 33 HD22 LEU 4 HD22 LEU 4 11.345 4.324 3.354 34 HD23 LEU 4 HD23 LEU 4 10.380 3.346 4.460 35 H LEU 5 HN LEU 5 7.496 5.287 3.281 36 HA LEU 5 HA LEU 5 6.019 7.373 1.924 37 HB2 LEU 5 HB2 LEU 5 5.045 4.781 3.098 38 HB3 LEU 5 HB1 LEU 5 4.168 5.834 2.019 39 HG LEU 5 HG LEU 5 6.585 4.181 1.328 40 HD11 LEU 5 HD11 LEU 5 3.678 3.960 0.561 41 HD12 LEU 5 HD12 LEU 5 4.541 2.900 1.675 42 HD13 LEU 5 HD13 LEU 5 4.989 2.937 -0.030 43 HD21 LEU 5 HD21 LEU 5 4.854 5.923 -0.409 44 HD22 LEU 5 HD22 LEU 5 6.182 4.898 -0.949 45 HD23 LEU 5 HD23 LEU 5 6.504 6.291 0.086 46 H THR 6 HN THR 6 4.547 8.702 2.906 47 HA THR 6 HA THR 6 4.137 8.327 5.742 48 HB THR 6 HB THR 6 2.968 10.512 5.641 49 HG1 THR 6 HG1 THR 6 3.646 10.497 2.853 50 HG21 THR 6 HG21 THR 6 5.391 10.533 5.997 51 HG22 THR 6 HG22 THR 6 4.886 11.941 5.060 52 HG23 THR 6 HG23 THR 6 5.654 10.575 4.251 53 H THR 7 HN THR 7 1.492 9.166 6.008 54 HA THR 7 HA THR 7 0.086 6.834 5.211 55 HB THR 7 HB THR 7 -0.962 9.467 6.295 56 HG1 THR 7 HG1 THR 7 -0.669 8.483 8.329 57 HG21 THR 7 HG21 THR 7 -2.708 7.970 5.395 58 HG22 THR 7 HG22 THR 7 -2.809 8.104 7.150 59 HG23 THR 7 HG23 THR 7 -2.103 6.666 6.417 60 H ASP 8 HN ASP 8 0.033 10.230 4.063 61 HA ASP 8 HA ASP 8 -2.003 9.725 2.166 62 HB2 ASP 8 HB2 ASP 8 -1.614 11.979 3.046 63 HB3 ASP 8 HB1 ASP 8 -0.033 12.021 2.285 64 H ASP 9 HN ASP 9 1.429 9.253 2.050 65 HA ASP 9 HA ASP 9 1.844 9.139 -0.750 66 HB2 ASP 9 HB2 ASP 9 3.129 7.605 1.494 67 HB3 ASP 9 HB1 ASP 9 3.503 7.248 -0.184 68 H LEU 10 HN LEU 10 0.975 6.609 1.513 69 HA LEU 10 HA LEU 10 0.567 4.559 -0.408 70 HB2 LEU 10 HB2 LEU 10 0.968 4.410 2.141 71 HB3 LEU 10 HB1 LEU 10 -0.728 4.755 2.335 72 HG LEU 10 HG LEU 10 0.454 2.333 0.936 73 HD11 LEU 10 HD11 LEU 10 0.839 2.275 3.308 74 HD12 LEU 10 HD12 LEU 10 -0.370 1.074 2.853 75 HD13 LEU 10 HD13 LEU 10 -0.870 2.584 3.617 76 HD21 LEU 10 HD21 LEU 10 -1.719 2.924 0.018 77 HD22 LEU 10 HD22 LEU 10 -2.427 2.913 1.636 78 HD23 LEU 10 HD23 LEU 10 -1.812 1.413 0.927 79 H ARG 11 HN ARG 11 -1.495 6.899 1.187 80 HA ARG 11 HA ARG 11 -3.981 6.173 0.266 81 HB2 ARG 11 HB2 ARG 11 -3.654 7.887 1.925 82 HB3 ARG 11 HB1 ARG 11 -2.843 8.917 0.764 83 HG2 ARG 11 HG2 ARG 11 -4.960 9.131 -0.476 84 HG3 ARG 11 HG1 ARG 11 -5.752 8.150 0.762 85 HD2 ARG 11 HD2 ARG 11 -5.163 9.767 2.460 86 HD3 ARG 11 HD1 ARG 11 -4.290 10.729 1.269 87 HE ARG 11 HE ARG 11 -7.136 10.239 0.851 88 HH11 ARG 11 HH11 ARG 11 -4.514 12.524 1.441 89 HH12 ARG 11 HH12 ARG 11 -5.518 13.895 1.493 90 HH21 ARG 11 HH21 ARG 11 -8.496 12.050 0.851 91 HH22 ARG 11 HH22 ARG 11 -7.900 13.631 1.127 92 H ARG 12 HN ARG 12 -1.745 8.489 -1.295 93 HA ARG 12 HA ARG 12 -3.300 9.066 -3.557 94 HB2 ARG 12 HB2 ARG 12 -0.284 8.975 -3.420 95 HB3 ARG 12 HB1 ARG 12 -1.232 9.781 -4.651 96 HG2 ARG 12 HG2 ARG 12 -2.059 11.360 -2.989 97 HG3 ARG 12 HG1 ARG 12 -1.139 10.524 -1.733 98 HD2 ARG 12 HD2 ARG 12 0.915 10.930 -3.104 99 HD3 ARG 12 HD1 ARG 12 -0.064 11.957 -4.146 100 HE ARG 12 HE ARG 12 -0.173 12.658 -1.361 101 HH11 ARG 12 HH11 ARG 12 1.286 13.319 -4.497 102 HH12 ARG 12 HH12 ARG 12 2.290 14.587 -3.953 103 HH21 ARG 12 HH21 ARG 12 1.153 14.468 -0.585 104 HH22 ARG 12 HH22 ARG 12 2.177 15.289 -1.654 105 H ALA 13 HN ALA 13 -0.870 6.558 -3.037 106 HA ALA 13 HA ALA 13 -0.913 5.620 -5.731 107 HB1 ALA 13 HB1 ALA 13 0.113 4.250 -3.259 108 HB2 ALA 13 HB2 ALA 13 1.037 5.356 -4.278 109 HB3 ALA 13 HB3 ALA 13 0.479 3.811 -4.928 110 H LEU 14 HN LEU 14 -2.756 4.861 -2.885 111 HA LEU 14 HA LEU 14 -3.759 2.423 -4.005 112 HB2 LEU 14 HB2 LEU 14 -3.385 2.833 -1.591 113 HB3 LEU 14 HB1 LEU 14 -4.737 3.954 -1.596 114 HG LEU 14 HG LEU 14 -6.215 2.062 -2.284 115 HD11 LEU 14 HD11 LEU 14 -4.513 0.643 -3.294 116 HD12 LEU 14 HD12 LEU 14 -5.375 -0.225 -2.024 117 HD13 LEU 14 HD13 LEU 14 -3.756 0.411 -1.719 118 HD21 LEU 14 HD21 LEU 14 -6.059 2.744 0.055 119 HD22 LEU 14 HD22 LEU 14 -4.683 1.666 0.287 120 HD23 LEU 14 HD23 LEU 14 -6.275 0.999 -0.077 121 H VAL 15 HN VAL 15 -4.695 5.778 -3.963 122 HA VAL 15 HA VAL 15 -7.366 5.270 -4.836 123 HB VAL 15 HB VAL 15 -5.726 7.839 -5.049 124 HG11 VAL 15 HG11 VAL 15 -8.690 7.466 -5.500 125 HG12 VAL 15 HG12 VAL 15 -7.498 7.882 -6.731 126 HG13 VAL 15 HG13 VAL 15 -7.853 9.018 -5.429 127 HG21 VAL 15 HG21 VAL 15 -7.093 8.604 -3.167 128 HG22 VAL 15 HG22 VAL 15 -6.172 7.156 -2.761 129 HG23 VAL 15 HG23 VAL 15 -7.896 7.035 -3.119 130 H GLU 16 HN GLU 16 -4.391 5.113 -6.351 131 HA GLU 16 HA GLU 16 -5.168 5.740 -9.017 132 HB2 GLU 16 HB2 GLU 16 -2.807 4.217 -7.942 133 HB3 GLU 16 HB1 GLU 16 -2.994 4.652 -9.631 134 HG2 GLU 16 HG2 GLU 16 -2.837 6.585 -7.336 135 HG3 GLU 16 HG1 GLU 16 -1.518 6.176 -8.435 136 H SER 17 HN SER 17 -5.270 2.781 -7.103 137 HA SER 17 HA SER 17 -5.901 1.187 -9.410 138 HB2 SER 17 HB2 SER 17 -6.251 -0.519 -7.436 139 HB3 SER 17 HB1 SER 17 -4.626 -0.025 -7.923 140 HG SER 17 HG SER 17 -6.174 0.903 -5.740 141 H ALA 18 HN ALA 18 -7.555 3.222 -7.402 142 HA ALA 18 HA ALA 18 -10.097 1.784 -7.618 143 HB1 ALA 18 HB1 ALA 18 -10.977 3.536 -6.156 144 HB2 ALA 18 HB2 ALA 18 -9.426 4.368 -6.214 145 HB3 ALA 18 HB3 ALA 18 -9.547 2.783 -5.453 146 H GLY 19 HN GLY 19 -8.567 4.852 -8.480 147 HA2 GLY 19 HA2 GLY 19 -8.745 5.848 -10.571 148 HA3 GLY 19 HA1 GLY 19 -10.176 4.881 -10.891 149 H GLU 20 HN GLU 20 -12.071 5.786 -10.685 150 HA GLU 20 HA GLU 20 -12.114 8.582 -9.827 151 HB2 GLU 20 HB2 GLU 20 -13.926 7.033 -11.660 152 HB3 GLU 20 HB1 GLU 20 -14.079 8.745 -11.285 153 HG2 GLU 20 HG2 GLU 20 -11.982 9.228 -12.318 154 HG3 GLU 20 HG1 GLU 20 -11.657 7.511 -12.557 155 H THR 21 HN THR 21 -14.567 9.167 -9.405 156 HA THR 21 HA THR 21 -16.321 9.237 -7.983 157 HB THR 21 HB THR 21 -16.013 6.298 -7.592 158 HG1 THR 21 HG1 THR 21 -16.817 7.744 -9.882 159 HG21 THR 21 HG21 THR 21 -18.457 8.092 -7.605 160 HG22 THR 21 HG22 THR 21 -17.694 7.373 -6.187 161 HG23 THR 21 HG23 THR 21 -18.499 6.343 -7.373 162 H ASP 22 HN ASP 22 -14.401 10.139 -6.918 163 HA ASP 22 HA ASP 22 -13.340 10.823 -5.049 164 HB2 ASP 22 HB2 ASP 22 -15.392 10.356 -3.772 165 HB3 ASP 22 HB1 ASP 22 -14.901 8.679 -3.576 166 H GLY 23 HN GLY 23 -13.378 7.446 -5.585 167 HA2 GLY 23 HA2 GLY 23 -11.313 6.349 -6.136 168 HA3 GLY 23 HA1 GLY 23 -10.532 7.366 -4.922 169 H THR 24 HN THR 24 -11.016 7.058 -2.758 170 HA THR 24 HA THR 24 -12.460 4.724 -1.899 171 HB THR 24 HB THR 24 -9.463 4.954 -1.372 172 HG1 THR 24 HG1 THR 24 -10.869 3.732 -3.405 173 HG21 THR 24 HG21 THR 24 -9.712 2.670 -0.493 174 HG22 THR 24 HG22 THR 24 -11.441 2.729 -0.839 175 HG23 THR 24 HG23 THR 24 -10.745 3.810 0.369 176 H ASP 25 HN ASP 25 -13.210 5.274 0.151 177 HA ASP 25 HA ASP 25 -12.508 7.749 1.379 178 HB2 ASP 25 HB2 ASP 25 -14.666 6.746 1.935 179 HB3 ASP 25 HB1 ASP 25 -13.873 5.288 2.527 180 H LEU 26 HN LEU 26 -10.531 8.097 1.993 181 HA LEU 26 HA LEU 26 -9.018 5.947 3.327 182 HB2 LEU 26 HB2 LEU 26 -8.921 6.364 0.675 183 HB3 LEU 26 HB1 LEU 26 -7.734 7.537 1.187 184 HG LEU 26 HG LEU 26 -6.391 5.761 2.204 185 HD11 LEU 26 HD11 LEU 26 -7.041 3.419 1.881 186 HD12 LEU 26 HD12 LEU 26 -8.554 3.934 1.135 187 HD13 LEU 26 HD13 LEU 26 -8.251 4.274 2.840 188 HD21 LEU 26 HD21 LEU 26 -6.082 6.355 -0.157 189 HD22 LEU 26 HD22 LEU 26 -7.282 5.150 -0.606 190 HD23 LEU 26 HD23 LEU 26 -5.763 4.641 0.131 191 H SER 27 HN SER 27 -10.166 8.271 4.441 192 HA SER 27 HA SER 27 -7.957 10.173 4.668 193 HB2 SER 27 HB2 SER 27 -10.851 10.444 5.475 194 HB3 SER 27 HB1 SER 27 -9.629 11.711 5.590 195 HG SER 27 HG SER 27 -11.111 10.921 3.480 196 H GLY 28 HN GLY 28 -7.212 10.819 6.718 197 HA2 GLY 28 HA2 GLY 28 -6.839 10.641 9.015 198 HA3 GLY 28 HA1 GLY 28 -8.178 9.498 9.115 199 H ASP 29 HN ASP 29 -7.198 7.857 10.230 200 HA ASP 29 HA ASP 29 -4.743 6.740 9.061 201 HB2 ASP 29 HB2 ASP 29 -4.746 7.056 11.555 202 HB3 ASP 29 HB1 ASP 29 -6.118 5.958 11.664 203 H PHE 30 HN PHE 30 -5.277 5.499 7.444 204 HA PHE 30 HA PHE 30 -7.595 3.726 7.734 205 HB2 PHE 30 HB2 PHE 30 -7.534 3.526 5.277 206 HB3 PHE 30 HB1 PHE 30 -7.703 5.198 5.786 207 HD1 PHE 30 HD2 PHE 30 -5.470 2.723 4.262 208 HD2 PHE 30 HD1 PHE 30 -5.940 6.810 5.340 209 HE1 PHE 30 HE2 PHE 30 -3.533 3.315 2.875 210 HE2 PHE 30 HE1 PHE 30 -4.004 7.404 3.956 211 HZ PHE 30 HZ PHE 30 -2.827 5.662 2.686 212 H LEU 31 HN LEU 31 -4.642 3.460 8.652 213 HA LEU 31 HA LEU 31 -3.629 1.460 6.882 214 HB2 LEU 31 HB2 LEU 31 -2.543 2.391 9.533 215 HB3 LEU 31 HB1 LEU 31 -1.750 1.251 8.479 216 HG LEU 31 HG LEU 31 -0.626 3.269 8.203 217 HD11 LEU 31 HD11 LEU 31 -0.969 2.174 6.123 218 HD12 LEU 31 HD12 LEU 31 -0.969 3.923 5.895 219 HD13 LEU 31 HD13 LEU 31 -2.492 3.032 5.884 220 HD21 LEU 31 HD21 LEU 31 -3.269 4.664 7.822 221 HD22 LEU 31 HD22 LEU 31 -1.684 5.422 7.666 222 HD23 LEU 31 HD23 LEU 31 -2.212 4.788 9.226 223 H ASP 32 HN ASP 32 -5.436 1.440 9.853 224 HA ASP 32 HA ASP 32 -4.979 -1.444 10.005 225 HB2 ASP 32 HB2 ASP 32 -6.377 0.351 12.008 226 HB3 ASP 32 HB1 ASP 32 -6.081 -1.372 12.205 227 H LEU 33 HN LEU 33 -6.824 0.494 8.380 228 HA LEU 33 HA LEU 33 -9.394 -0.796 8.721 229 HB2 LEU 33 HB2 LEU 33 -9.248 1.622 8.226 230 HB3 LEU 33 HB1 LEU 33 -8.386 1.267 6.746 231 HG LEU 33 HG LEU 33 -10.416 0.172 5.854 232 HD11 LEU 33 HD11 LEU 33 -12.545 0.470 7.009 233 HD12 LEU 33 HD12 LEU 33 -11.706 1.184 8.384 234 HD13 LEU 33 HD13 LEU 33 -11.431 -0.506 7.965 235 HD21 LEU 33 HD21 LEU 33 -9.945 2.509 5.373 236 HD22 LEU 33 HD22 LEU 33 -10.805 2.992 6.837 237 HD23 LEU 33 HD23 LEU 33 -11.681 2.228 5.509 238 H ARG 34 HN ARG 34 -9.712 -2.657 7.788 239 HA ARG 34 HA ARG 34 -7.759 -3.924 6.160 240 HB2 ARG 34 HB2 ARG 34 -10.609 -4.727 6.689 241 HB3 ARG 34 HB1 ARG 34 -9.342 -5.761 6.040 242 HG2 ARG 34 HG2 ARG 34 -8.137 -5.708 8.063 243 HG3 ARG 34 HG1 ARG 34 -9.176 -4.444 8.738 244 HD2 ARG 34 HD2 ARG 34 -9.943 -7.269 8.057 245 HD3 ARG 34 HD1 ARG 34 -9.794 -6.572 9.672 246 HE ARG 34 HE ARG 34 -11.593 -4.975 8.785 247 HH11 ARG 34 HH11 ARG 34 -11.400 -8.438 8.111 248 HH12 ARG 34 HH12 ARG 34 -13.069 -8.628 7.815 249 HH21 ARG 34 HH21 ARG 34 -13.838 -5.183 8.313 250 HH22 ARG 34 HH22 ARG 34 -14.518 -6.683 7.869 251 H PHE 35 HN PHE 35 -7.881 -4.609 4.019 252 HA PHE 35 HA PHE 35 -8.997 -2.708 2.247 253 HB2 PHE 35 HB2 PHE 35 -7.729 -5.390 1.701 254 HB3 PHE 35 HB1 PHE 35 -8.184 -4.243 0.446 255 HD1 PHE 35 HD2 PHE 35 -7.220 -1.811 0.824 256 HD2 PHE 35 HD1 PHE 35 -5.577 -5.370 2.466 257 HE1 PHE 35 HE2 PHE 35 -5.054 -0.684 1.086 258 HE2 PHE 35 HE1 PHE 35 -3.407 -4.250 2.732 259 HZ PHE 35 HZ PHE 35 -3.134 -1.914 1.981 260 H GLU 36 HN GLU 36 -10.000 -5.776 3.389 261 HA GLU 36 HA GLU 36 -12.106 -6.496 1.767 262 HB2 GLU 36 HB2 GLU 36 -11.263 -7.765 3.716 263 HB3 GLU 36 HB1 GLU 36 -11.970 -6.576 4.792 264 HG2 GLU 36 HG2 GLU 36 -13.323 -8.566 4.705 265 HG3 GLU 36 HG1 GLU 36 -14.200 -7.205 4.010 266 H ASP 37 HN ASP 37 -11.964 -3.975 4.231 267 HA ASP 37 HA ASP 37 -14.772 -3.431 4.317 268 HB2 ASP 37 HB2 ASP 37 -13.119 -2.925 6.162 269 HB3 ASP 37 HB1 ASP 37 -12.510 -1.611 5.164 270 H ILE 38 HN ILE 38 -11.994 -2.088 2.645 271 HA ILE 38 HA ILE 38 -13.703 -0.084 1.409 272 HB ILE 38 HB ILE 38 -11.627 0.883 0.440 273 HG12 ILE 38 HG12 ILE 38 -10.235 -1.221 2.131 274 HG13 ILE 38 HG11 ILE 38 -10.264 -1.172 0.373 275 HG21 ILE 38 HG21 ILE 38 -11.652 0.521 3.430 276 HG22 ILE 38 HG22 ILE 38 -12.538 1.735 2.508 277 HG23 ILE 38 HG23 ILE 38 -10.776 1.783 2.562 278 HD11 ILE 38 HD11 ILE 38 -8.979 0.863 2.187 279 HD12 ILE 38 HD12 ILE 38 -9.008 0.932 0.426 280 HD13 ILE 38 HD13 ILE 38 -8.145 -0.371 1.243 281 H GLY 39 HN GLY 39 -13.623 -2.997 0.770 282 HA2 GLY 39 HA2 GLY 39 -14.050 -4.317 -1.050 283 HA3 GLY 39 HA1 GLY 39 -14.412 -2.829 -1.903 284 H TYR 40 HN TYR 40 -11.285 -3.878 -0.574 285 HA TYR 40 HA TYR 40 -10.278 -3.650 -3.275 286 HB2 TYR 40 HB2 TYR 40 -9.250 -2.874 -0.692 287 HB3 TYR 40 HB1 TYR 40 -8.100 -3.836 -1.628 288 HD1 TYR 40 HD1 TYR 40 -10.382 -0.909 -1.947 289 HD2 TYR 40 HD2 TYR 40 -6.867 -2.878 -3.261 290 HE1 TYR 40 HE1 TYR 40 -9.865 1.002 -3.409 291 HE2 TYR 40 HE2 TYR 40 -6.323 -1.008 -4.698 292 HH TYR 40 HH TYR 40 -7.787 1.972 -4.481 293 H ASP 41 HN ASP 41 -8.280 -5.034 -3.665 294 HA ASP 41 HA ASP 41 -8.690 -7.750 -2.694 295 HB2 ASP 41 HB2 ASP 41 -8.754 -8.660 -4.926 296 HB3 ASP 41 HB1 ASP 41 -10.023 -7.448 -4.791 297 H SER 42 HN SER 42 -6.918 -9.143 -3.773 298 HA SER 42 HA SER 42 -4.479 -8.241 -2.706 299 HB2 SER 42 HB2 SER 42 -4.691 -10.524 -4.624 300 HB3 SER 42 HB1 SER 42 -3.734 -10.387 -3.144 301 H LEU 43 HN LEU 43 -5.675 -8.505 -6.028 302 HA LEU 43 HA LEU 43 -3.138 -8.121 -7.268 303 HB2 LEU 43 HB2 LEU 43 -5.940 -7.915 -8.364 304 HB3 LEU 43 HB1 LEU 43 -4.492 -7.806 -9.340 305 HG LEU 43 HG LEU 43 -5.268 -10.237 -7.723 306 HD11 LEU 43 HD11 LEU 43 -5.853 -11.233 -9.876 307 HD12 LEU 43 HD12 LEU 43 -5.529 -9.696 -10.679 308 HD13 LEU 43 HD13 LEU 43 -6.860 -9.828 -9.530 309 HD21 LEU 43 HD21 LEU 43 -3.153 -9.814 -9.836 310 HD22 LEU 43 HD22 LEU 43 -3.534 -11.341 -9.039 311 HD23 LEU 43 HD23 LEU 43 -2.862 -10.006 -8.106 312 H ALA 44 HN ALA 44 -5.789 -6.079 -6.346 313 HA ALA 44 HA ALA 44 -4.866 -3.720 -7.602 314 HB1 ALA 44 HB1 ALA 44 -7.164 -3.990 -6.792 315 HB2 ALA 44 HB2 ALA 44 -6.405 -2.549 -6.119 316 HB3 ALA 44 HB3 ALA 44 -6.575 -3.999 -5.129 317 H LEU 45 HN LEU 45 -4.138 -5.275 -4.591 318 HA LEU 45 HA LEU 45 -2.710 -3.111 -3.431 319 HB2 LEU 45 HB2 LEU 45 -2.456 -6.047 -2.850 320 HB3 LEU 45 HB1 LEU 45 -1.919 -4.737 -1.817 321 HG LEU 45 HG LEU 45 -4.761 -5.383 -2.520 322 HD11 LEU 45 HD11 LEU 45 -3.224 -5.670 0.045 323 HD12 LEU 45 HD12 LEU 45 -3.794 -6.978 -0.991 324 HD13 LEU 45 HD13 LEU 45 -4.955 -5.947 -0.152 325 HD21 LEU 45 HD21 LEU 45 -4.441 -3.002 -2.291 326 HD22 LEU 45 HD22 LEU 45 -3.594 -3.245 -0.763 327 HD23 LEU 45 HD23 LEU 45 -5.313 -3.631 -0.889 328 H MET 46 HN MET 46 -1.883 -6.037 -5.160 329 HA MET 46 HA MET 46 0.901 -5.850 -5.200 330 HB2 MET 46 HB2 MET 46 -1.035 -7.031 -7.192 331 HB3 MET 46 HB1 MET 46 0.708 -7.187 -7.350 332 HG2 MET 46 HG2 MET 46 0.859 -8.466 -5.342 333 HG3 MET 46 HG1 MET 46 -0.806 -8.067 -4.929 334 HE1 MET 46 HE1 MET 46 1.434 -9.952 -7.615 335 HE2 MET 46 HE2 MET 46 0.313 -8.985 -8.572 336 HE3 MET 46 HE3 MET 46 0.183 -10.743 -8.572 337 H GLU 47 HN GLU 47 -1.497 -4.585 -7.465 338 HA GLU 47 HA GLU 47 0.179 -3.323 -9.288 339 HB2 GLU 47 HB2 GLU 47 -2.276 -3.583 -9.501 340 HB3 GLU 47 HB1 GLU 47 -2.489 -2.336 -8.284 341 HG2 GLU 47 HG2 GLU 47 -1.156 -0.796 -9.764 342 HG3 GLU 47 HG1 GLU 47 -1.298 -2.019 -11.021 343 H THR 48 HN THR 48 -1.332 -2.045 -6.368 344 HA THR 48 HA THR 48 -0.284 0.509 -6.329 345 HB THR 48 HB THR 48 -1.075 -1.318 -4.053 346 HG1 THR 48 HG1 THR 48 -2.894 -0.970 -5.211 347 HG21 THR 48 HG21 THR 48 -1.429 0.745 -2.755 348 HG22 THR 48 HG22 THR 48 -0.758 1.701 -4.082 349 HG23 THR 48 HG23 THR 48 0.265 0.559 -3.203 350 H ALA 49 HN ALA 49 1.002 -2.407 -4.690 351 HA ALA 49 HA ALA 49 3.270 -1.186 -3.609 352 HB1 ALA 49 HB1 ALA 49 2.931 -4.079 -4.417 353 HB2 ALA 49 HB2 ALA 49 2.457 -3.374 -2.868 354 HB3 ALA 49 HB3 ALA 49 4.157 -3.444 -3.320 355 H ALA 50 HN ALA 50 2.868 -2.901 -6.714 356 HA ALA 50 HA ALA 50 5.528 -2.688 -7.568 357 HB1 ALA 50 HB1 ALA 50 3.040 -2.800 -9.276 358 HB2 ALA 50 HB2 ALA 50 3.887 -4.193 -8.602 359 HB3 ALA 50 HB3 ALA 50 4.681 -3.174 -9.800 360 H ARG 51 HN ARG 51 2.881 -0.459 -7.753 361 HA ARG 51 HA ARG 51 4.043 1.439 -9.478 362 HB2 ARG 51 HB2 ARG 51 1.717 1.434 -9.340 363 HB3 ARG 51 HB1 ARG 51 1.723 1.305 -7.595 364 HG2 ARG 51 HG2 ARG 51 2.194 3.590 -7.347 365 HG3 ARG 51 HG1 ARG 51 2.569 3.763 -9.071 366 HD2 ARG 51 HD2 ARG 51 0.296 4.624 -8.409 367 HD3 ARG 51 HD1 ARG 51 0.288 3.422 -9.690 368 HE ARG 51 HE ARG 51 -0.450 2.841 -6.873 369 HH11 ARG 51 HH11 ARG 51 -0.977 2.406 -10.380 370 HH12 ARG 51 HH12 ARG 51 -2.267 1.297 -10.122 371 HH21 ARG 51 HH21 ARG 51 -2.346 1.297 -6.665 372 HH22 ARG 51 HH22 ARG 51 -2.995 0.708 -8.131 373 H LEU 52 HN LEU 52 4.090 0.922 -6.026 374 HA LEU 52 HA LEU 52 5.374 3.390 -5.378 375 HB2 LEU 52 HB2 LEU 52 5.064 0.822 -3.830 376 HB3 LEU 52 HB1 LEU 52 5.768 2.286 -3.172 377 HG LEU 52 HG LEU 52 2.944 2.114 -4.216 378 HD11 LEU 52 HD11 LEU 52 3.200 0.653 -2.293 379 HD12 LEU 52 HD12 LEU 52 2.270 2.089 -1.861 380 HD13 LEU 52 HD13 LEU 52 3.963 1.954 -1.383 381 HD21 LEU 52 HD21 LEU 52 4.367 4.195 -2.549 382 HD22 LEU 52 HD22 LEU 52 2.665 4.223 -3.011 383 HD23 LEU 52 HD23 LEU 52 3.912 4.355 -4.246 384 H GLU 53 HN GLU 53 6.413 0.121 -6.063 385 HA GLU 53 HA GLU 53 9.056 0.120 -5.316 386 HB2 GLU 53 HB2 GLU 53 7.822 -1.127 -7.765 387 HB3 GLU 53 HB1 GLU 53 9.448 -1.466 -7.205 388 HG2 GLU 53 HG2 GLU 53 8.486 -2.325 -5.089 389 HG3 GLU 53 HG1 GLU 53 6.875 -2.072 -5.769 390 H SER 54 HN SER 54 7.843 1.037 -8.533 391 HA SER 54 HA SER 54 10.254 1.704 -9.690 392 HB2 SER 54 HB2 SER 54 7.545 2.870 -10.272 393 HB3 SER 54 HB1 SER 54 8.925 2.804 -11.368 394 HG SER 54 HG SER 54 8.045 1.030 -11.942 395 H ARG 55 HN ARG 55 8.281 3.616 -7.543 396 HA ARG 55 HA ARG 55 9.666 6.043 -8.303 397 HB2 ARG 55 HB2 ARG 55 7.308 6.257 -7.898 398 HB3 ARG 55 HB1 ARG 55 7.465 5.544 -6.301 399 HG2 ARG 55 HG2 ARG 55 8.740 7.480 -5.549 400 HG3 ARG 55 HG1 ARG 55 8.631 8.193 -7.160 401 HD2 ARG 55 HD2 ARG 55 6.250 8.385 -6.970 402 HD3 ARG 55 HD1 ARG 55 6.254 7.468 -5.464 403 HE ARG 55 HE ARG 55 7.890 9.671 -5.062 404 HH11 ARG 55 HH11 ARG 55 4.440 9.085 -5.725 405 HH12 ARG 55 HH12 ARG 55 3.937 10.459 -4.853 406 HH21 ARG 55 HH21 ARG 55 7.186 11.498 -3.928 407 HH22 ARG 55 HH22 ARG 55 5.516 11.865 -3.783 408 H TYR 56 HN TYR 56 9.667 3.743 -5.649 409 HA TYR 56 HA TYR 56 11.460 5.554 -4.251 410 HB2 TYR 56 HB2 TYR 56 9.677 3.403 -3.173 411 HB3 TYR 56 HB1 TYR 56 10.928 4.178 -2.195 412 HD1 TYR 56 HD1 TYR 56 10.847 6.582 -1.778 413 HD2 TYR 56 HD2 TYR 56 7.637 4.586 -3.711 414 HE1 TYR 56 HE1 TYR 56 9.418 8.521 -1.382 415 HE2 TYR 56 HE2 TYR 56 6.183 6.540 -3.311 416 HH TYR 56 HH TYR 56 6.112 8.580 -1.643 417 H GLY 57 HN GLY 57 11.640 2.569 -5.877 418 HA2 GLY 57 HA2 GLY 57 13.619 1.463 -6.361 419 HA3 GLY 57 HA1 GLY 57 14.449 2.468 -5.176 420 H VAL 58 HN VAL 58 11.901 0.055 -5.268 421 HA VAL 58 HA VAL 58 13.198 -1.455 -3.181 422 HB VAL 58 HB VAL 58 11.684 0.085 -1.947 423 HG11 VAL 58 HG11 VAL 58 9.253 -0.010 -2.206 424 HG12 VAL 58 HG12 VAL 58 9.458 -1.058 -3.609 425 HG13 VAL 58 HG13 VAL 58 10.069 0.597 -3.648 426 HG21 VAL 58 HG21 VAL 58 10.343 -1.569 -0.716 427 HG22 VAL 58 HG22 VAL 58 11.985 -2.134 -1.020 428 HG23 VAL 58 HG23 VAL 58 10.649 -2.745 -1.993 429 H SER 59 HN SER 59 12.461 -3.689 -3.269 430 HA SER 59 HA SER 59 10.768 -4.247 -5.577 431 HB2 SER 59 HB2 SER 59 13.375 -5.632 -4.904 432 HB3 SER 59 HB1 SER 59 12.275 -6.093 -6.208 433 HG SER 59 HG SER 59 12.521 -3.856 -6.921 434 H ILE 60 HN ILE 60 9.088 -5.321 -4.960 435 HA ILE 60 HA ILE 60 9.311 -7.088 -2.609 436 HB ILE 60 HB ILE 60 6.970 -5.316 -3.389 437 HG12 ILE 60 HG12 ILE 60 8.775 -5.265 -0.958 438 HG13 ILE 60 HG11 ILE 60 8.818 -4.121 -2.293 439 HG21 ILE 60 HG21 ILE 60 7.170 -7.282 -1.102 440 HG22 ILE 60 HG22 ILE 60 6.142 -7.439 -2.525 441 HG23 ILE 60 HG23 ILE 60 5.845 -6.144 -1.363 442 HD11 ILE 60 HD11 ILE 60 7.694 -3.195 -0.354 443 HD12 ILE 60 HD12 ILE 60 6.529 -4.522 -0.381 444 HD13 ILE 60 HD13 ILE 60 6.578 -3.362 -1.708 445 HA PRO 61 HA PRO 61 7.973 -10.235 -5.498 446 HB2 PRO 61 HB2 PRO 61 7.254 -11.636 -2.973 447 HB3 PRO 61 HB1 PRO 61 8.268 -12.190 -4.310 448 HG2 PRO 61 HG2 PRO 61 9.364 -11.450 -2.000 449 HG3 PRO 61 HG1 PRO 61 10.135 -11.041 -3.545 450 HD2 PRO 61 HD2 PRO 61 8.510 -9.312 -1.720 451 HD3 PRO 61 HD1 PRO 61 9.984 -8.915 -2.630 452 H ASP 62 HN ASP 62 6.064 -10.788 -6.325 453 HA ASP 62 HA ASP 62 3.797 -9.247 -5.906 454 HB2 ASP 62 HB2 ASP 62 4.011 -11.943 -7.249 455 HB3 ASP 62 HB1 ASP 62 2.673 -10.817 -7.434 456 H ASP 63 HN ASP 63 4.526 -12.500 -4.819 457 HA ASP 63 HA ASP 63 2.040 -13.256 -3.768 458 HB2 ASP 63 HB2 ASP 63 4.790 -14.039 -2.775 459 HB3 ASP 63 HB1 ASP 63 3.297 -14.801 -2.253 460 H VAL 64 HN VAL 64 4.523 -11.271 -2.404 461 HA VAL 64 HA VAL 64 3.708 -11.305 0.323 462 HB VAL 64 HB VAL 64 5.199 -9.183 -1.202 463 HG11 VAL 64 HG11 VAL 64 6.186 -8.608 0.998 464 HG12 VAL 64 HG12 VAL 64 5.151 -9.818 1.758 465 HG13 VAL 64 HG13 VAL 64 4.433 -8.406 0.983 466 HG21 VAL 64 HG21 VAL 64 6.258 -11.587 0.273 467 HG22 VAL 64 HG22 VAL 64 7.245 -10.289 -0.402 468 HG23 VAL 64 HG23 VAL 64 6.288 -11.316 -1.470 469 H ALA 65 HN ALA 65 3.281 -8.967 -2.295 470 HA ALA 65 HA ALA 65 1.777 -7.091 -0.835 471 HB1 ALA 65 HB1 ALA 65 1.242 -6.095 -2.995 472 HB2 ALA 65 HB2 ALA 65 1.811 -7.549 -3.816 473 HB3 ALA 65 HB3 ALA 65 2.946 -6.544 -2.918 474 H GLY 66 HN GLY 66 0.862 -9.985 -2.525 475 HA2 GLY 66 HA2 GLY 66 -1.953 -9.371 -2.446 476 HA3 GLY 66 HA1 GLY 66 -1.221 -10.878 -2.972 477 H ARG 67 HN ARG 67 0.078 -10.134 0.001 478 HA ARG 67 HA ARG 67 -1.868 -11.889 1.347 479 HB2 ARG 67 HB2 ARG 67 1.065 -11.463 1.851 480 HB3 ARG 67 HB1 ARG 67 0.019 -12.291 2.989 481 HG2 ARG 67 HG2 ARG 67 -0.460 -13.999 1.368 482 HG3 ARG 67 HG1 ARG 67 0.465 -13.135 0.141 483 HD2 ARG 67 HD2 ARG 67 1.761 -14.975 1.085 484 HD3 ARG 67 HD1 ARG 67 2.495 -13.419 1.452 485 HE ARG 67 HE ARG 67 1.317 -13.697 3.692 486 HH11 ARG 67 HH11 ARG 67 2.603 -16.424 1.816 487 HH12 ARG 67 HH12 ARG 67 2.895 -17.398 3.180 488 HH21 ARG 67 HH21 ARG 67 1.714 -15.083 5.569 489 HH22 ARG 67 HH22 ARG 67 2.313 -16.664 5.314 490 H VAL 68 HN VAL 68 -1.144 -8.673 1.234 491 HA VAL 68 HA VAL 68 -1.265 -8.327 4.100 492 HB VAL 68 HB VAL 68 -1.001 -5.876 3.684 493 HG11 VAL 68 HG11 VAL 68 1.318 -6.012 2.901 494 HG12 VAL 68 HG12 VAL 68 1.022 -7.661 2.351 495 HG13 VAL 68 HG13 VAL 68 0.926 -7.271 4.070 496 HG21 VAL 68 HG21 VAL 68 -2.027 -5.698 1.460 497 HG22 VAL 68 HG22 VAL 68 -0.737 -6.705 0.790 498 HG23 VAL 68 HG23 VAL 68 -0.360 -5.111 1.435 499 H ASP 69 HN ASP 69 -2.960 -7.881 5.284 500 HA ASP 69 HA ASP 69 -5.549 -7.742 3.918 501 HB2 ASP 69 HB2 ASP 69 -5.167 -9.466 5.698 502 HB3 ASP 69 HB1 ASP 69 -4.920 -8.175 6.854 503 H THR 70 HN THR 70 -3.411 -5.916 5.905 504 HA THR 70 HA THR 70 -5.280 -3.664 5.785 505 HB THR 70 HB THR 70 -4.282 -2.891 7.966 506 HG1 THR 70 HG1 THR 70 -2.982 -5.394 7.708 507 HG21 THR 70 HG21 THR 70 -6.466 -3.984 7.917 508 HG22 THR 70 HG22 THR 70 -5.577 -4.453 9.368 509 HG23 THR 70 HG23 THR 70 -5.684 -5.562 7.996 510 HA PRO 71 HA PRO 71 -2.048 -1.349 3.757 511 HB2 PRO 71 HB2 PRO 71 -2.981 0.935 5.417 512 HB3 PRO 71 HB1 PRO 71 -2.821 0.811 3.660 513 HG2 PRO 71 HG2 PRO 71 -5.212 0.737 4.806 514 HG3 PRO 71 HG1 PRO 71 -4.830 -0.312 3.426 515 HD2 PRO 71 HD2 PRO 71 -4.978 -0.985 6.335 516 HD3 PRO 71 HD1 PRO 71 -5.529 -1.921 4.931 517 H ARG 72 HN ARG 72 -2.386 -1.369 7.214 518 HA ARG 72 HA ARG 72 -0.079 -0.127 8.135 519 HB2 ARG 72 HB2 ARG 72 -1.925 -1.088 9.545 520 HB3 ARG 72 HB1 ARG 72 -1.335 -2.695 9.168 521 HG2 ARG 72 HG2 ARG 72 -0.603 -2.134 11.363 522 HG3 ARG 72 HG1 ARG 72 0.807 -2.087 10.308 523 HD2 ARG 72 HD2 ARG 72 0.871 -0.189 11.797 524 HD3 ARG 72 HD1 ARG 72 0.562 0.370 10.156 525 HE ARG 72 HE ARG 72 -1.826 -0.040 11.744 526 HH11 ARG 72 HH11 ARG 72 0.729 2.310 10.942 527 HH12 ARG 72 HH12 ARG 72 -0.226 3.671 11.242 528 HH21 ARG 72 HH21 ARG 72 -3.123 1.857 12.218 529 HH22 ARG 72 HH22 ARG 72 -2.533 3.419 11.926 530 H GLU 73 HN GLU 73 -0.605 -3.386 6.923 531 HA GLU 73 HA GLU 73 2.057 -4.347 7.284 532 HB2 GLU 73 HB2 GLU 73 -0.204 -5.347 5.544 533 HB3 GLU 73 HB1 GLU 73 1.242 -6.253 5.963 534 HG2 GLU 73 HG2 GLU 73 0.593 -6.433 8.219 535 HG3 GLU 73 HG1 GLU 73 -0.677 -5.225 8.026 536 H LEU 74 HN LEU 74 0.145 -3.168 4.560 537 HA LEU 74 HA LEU 74 1.968 -3.532 2.438 538 HB2 LEU 74 HB2 LEU 74 -0.547 -2.854 2.428 539 HB3 LEU 74 HB1 LEU 74 0.021 -1.220 2.640 540 HG LEU 74 HG LEU 74 0.570 -2.979 0.224 541 HD11 LEU 74 HD11 LEU 74 -0.952 -1.493 -0.950 542 HD12 LEU 74 HD12 LEU 74 -1.305 -0.664 0.567 543 HD13 LEU 74 HD13 LEU 74 -1.745 -2.359 0.366 544 HD21 LEU 74 HD21 LEU 74 1.401 -0.942 -0.854 545 HD22 LEU 74 HD22 LEU 74 2.368 -1.320 0.572 546 HD23 LEU 74 HD23 LEU 74 1.157 -0.038 0.642 547 H LEU 75 HN LEU 75 1.449 -0.748 4.563 548 HA LEU 75 HA LEU 75 3.366 1.005 3.507 549 HB2 LEU 75 HB2 LEU 75 1.547 1.629 5.040 550 HB3 LEU 75 HB1 LEU 75 2.320 0.727 6.325 551 HG LEU 75 HG LEU 75 4.242 2.309 6.196 552 HD11 LEU 75 HD11 LEU 75 3.921 4.436 5.048 553 HD12 LEU 75 HD12 LEU 75 2.410 3.840 4.365 554 HD13 LEU 75 HD13 LEU 75 3.939 3.084 3.917 555 HD21 LEU 75 HD21 LEU 75 3.076 4.135 7.342 556 HD22 LEU 75 HD22 LEU 75 2.502 2.555 7.878 557 HD23 LEU 75 HD23 LEU 75 1.532 3.511 6.758 558 H ASP 76 HN ASP 76 3.492 -1.366 6.119 559 HA ASP 76 HA ASP 76 6.077 -0.806 7.025 560 HB2 ASP 76 HB2 ASP 76 4.421 -2.044 8.350 561 HB3 ASP 76 HB1 ASP 76 4.563 -3.402 7.237 562 H LEU 77 HN LEU 77 4.912 -3.067 4.611 563 HA LEU 77 HA LEU 77 7.202 -4.531 4.045 564 HB2 LEU 77 HB2 LEU 77 5.155 -3.458 2.108 565 HB3 LEU 77 HB1 LEU 77 6.307 -4.698 1.697 566 HG LEU 77 HG LEU 77 4.071 -4.915 3.693 567 HD11 LEU 77 HD11 LEU 77 3.172 -6.527 2.094 568 HD12 LEU 77 HD12 LEU 77 4.516 -6.194 1.003 569 HD13 LEU 77 HD13 LEU 77 3.346 -4.926 1.377 570 HD21 LEU 77 HD21 LEU 77 6.108 -6.977 2.839 571 HD22 LEU 77 HD22 LEU 77 4.718 -7.269 3.884 572 HD23 LEU 77 HD23 LEU 77 6.019 -6.208 4.423 573 H ILE 78 HN ILE 78 6.198 -1.441 2.741 574 HA ILE 78 HA ILE 78 8.457 -0.955 1.086 575 HB ILE 78 HB ILE 78 6.531 1.020 2.355 576 HG12 ILE 78 HG12 ILE 78 5.382 -0.671 0.956 577 HG13 ILE 78 HG11 ILE 78 5.274 0.944 0.268 578 HG21 ILE 78 HG21 ILE 78 7.194 2.544 0.546 579 HG22 ILE 78 HG22 ILE 78 8.378 1.361 -0.009 580 HG23 ILE 78 HG23 ILE 78 8.561 2.111 1.575 581 HD11 ILE 78 HD11 ILE 78 7.145 -1.242 -0.632 582 HD12 ILE 78 HD12 ILE 78 7.030 0.372 -1.335 583 HD13 ILE 78 HD13 ILE 78 5.664 -0.738 -1.445 584 H ASN 79 HN ASN 79 7.465 0.344 4.247 585 HA ASN 79 HA ASN 79 9.608 1.992 4.880 586 HB2 ASN 79 HB2 ASN 79 7.954 0.277 6.740 587 HB3 ASN 79 HB1 ASN 79 9.100 1.482 7.295 588 HD21 ASN 79 HD21 ASN 79 8.423 3.468 5.277 589 HD22 ASN 79 HD22 ASN 79 6.838 4.023 5.724 590 H GLY 80 HN GLY 80 9.211 -1.407 5.825 591 HA2 GLY 80 HA2 GLY 80 11.634 -1.685 7.160 592 HA3 GLY 80 HA1 GLY 80 10.672 -2.990 6.483 593 H ALA 81 HN ALA 81 10.797 -2.491 3.810 594 HA ALA 81 HA ALA 81 13.316 -3.596 3.214 595 HB1 ALA 81 HB1 ALA 81 12.638 -3.510 0.892 596 HB2 ALA 81 HB2 ALA 81 11.312 -2.420 1.298 597 HB3 ALA 81 HB3 ALA 81 11.307 -4.077 1.900 598 H LEU 82 HN LEU 82 12.001 -0.341 2.633 599 HA LEU 82 HA LEU 82 14.298 0.604 1.296 600 HB2 LEU 82 HB2 LEU 82 12.119 2.096 2.726 601 HB3 LEU 82 HB1 LEU 82 13.424 2.894 1.877 602 HG LEU 82 HG LEU 82 11.342 1.097 0.635 603 HD11 LEU 82 HD11 LEU 82 11.788 4.075 0.476 604 HD12 LEU 82 HD12 LEU 82 10.474 3.269 1.331 605 HD13 LEU 82 HD13 LEU 82 10.575 3.165 -0.426 606 HD21 LEU 82 HD21 LEU 82 13.498 0.920 -0.507 607 HD22 LEU 82 HD22 LEU 82 13.588 2.676 -0.621 608 HD23 LEU 82 HD23 LEU 82 12.332 1.798 -1.497 609 H ALA 83 HN ALA 83 13.346 0.845 4.718 610 HA ALA 83 HA ALA 83 15.600 2.424 5.409 611 HB1 ALA 83 HB1 ALA 83 13.546 2.396 6.755 612 HB2 ALA 83 HB2 ALA 83 14.971 2.010 7.720 613 HB3 ALA 83 HB3 ALA 83 13.877 0.725 7.209 614 H GLU 84 HN GLU 84 15.247 -0.886 4.803 615 HA GLU 84 HA GLU 84 17.567 -1.642 6.386 616 HB2 GLU 84 HB2 GLU 84 15.573 -3.116 6.231 617 HB3 GLU 84 HB1 GLU 84 15.859 -3.284 4.508 618 HG2 GLU 84 HG2 GLU 84 16.645 -5.226 5.698 619 HG3 GLU 84 HG1 GLU 84 18.003 -4.357 4.982 620 H ALA 85 HN ALA 85 16.539 -1.811 2.984 621 HA ALA 85 HA ALA 85 19.164 -2.584 2.139 622 HB1 ALA 85 HB1 ALA 85 18.188 -2.792 -0.047 623 HB2 ALA 85 HB2 ALA 85 16.720 -1.988 0.508 624 HB3 ALA 85 HB3 ALA 85 17.167 -3.562 1.165 625 H ALA 86 HN ALA 86 17.301 0.426 2.090 626 HA ALA 86 HA ALA 86 19.450 1.552 0.464 627 HB1 ALA 86 HB1 ALA 86 17.264 1.594 -0.636 628 HB2 ALA 86 HB2 ALA 86 17.815 3.226 -0.254 629 HB3 ALA 86 HB3 ALA 86 16.583 2.457 0.746 630 H282 PNS 87 H28A PNS 87 -7.189 -14.048 -4.997 631 H281 PNS 87 H28B PNS 87 -7.095 -12.839 -6.286 632 H303 PNS 87 H30A PNS 87 -6.743 -14.769 -7.859 633 H302 PNS 87 H30B PNS 87 -6.739 -15.901 -6.508 634 H301 PNS 87 H30C PNS 87 -5.376 -15.857 -7.626 635 H313 PNS 87 H31A PNS 87 -4.114 -12.557 -6.513 636 H312 PNS 87 H31B PNS 87 -5.203 -12.833 -7.873 637 H311 PNS 87 H31C PNS 87 -3.821 -13.901 -7.618 638 H32 PNS 87 H32A PNS 87 -4.094 -14.107 -4.547 639 H33 PNS 87 H33A PNS 87 -3.511 -15.688 -6.687 640 H36 PNS 87 H36A PNS 87 -3.466 -16.327 -3.578 641 H372 PNS 87 H37A PNS 87 -5.770 -17.214 -2.010 642 H371 PNS 87 H37B PNS 87 -4.926 -18.457 -2.922 643 H382 PNS 87 H38A PNS 87 -4.118 -18.437 -0.668 644 H381 PNS 87 H38B PNS 87 -2.835 -17.903 -1.754 645 H41 PNS 87 H41A PNS 87 -5.274 -15.577 -1.186 646 H422 PNS 87 H42A PNS 87 -4.509 -14.371 1.245 647 H421 PNS 87 H42B PNS 87 -3.588 -13.675 -0.069 648 H431 PNS 87 H43A PNS 87 -6.573 -13.640 0.190 649 H432 PNS 87 H43B PNS 87 -5.697 -13.273 -1.279 650 H44 PNS 87 H1 PNS 87 -4.305 -11.179 -0.334 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 20.463 6.617 -0.258 2 H2 MET 1 HT2 MET 1 19.534 5.396 0.550 3 H3 MET 1 HT3 MET 1 19.084 7.013 0.602 4 HA MET 1 HA MET 1 18.600 7.136 -1.665 5 HB2 MET 1 HB2 MET 1 18.761 5.206 -3.146 6 HB3 MET 1 HB1 MET 1 20.334 5.566 -2.462 7 HG2 MET 1 HG2 MET 1 20.151 3.707 -0.939 8 HG3 MET 1 HG1 MET 1 18.496 3.397 -1.462 9 HE1 MET 1 HE1 MET 1 22.290 3.386 -2.535 10 HE2 MET 1 HE2 MET 1 21.544 4.410 -3.764 11 HE3 MET 1 HE3 MET 1 22.186 2.829 -4.207 12 H ALA 2 HN ALA 2 17.369 6.410 0.994 13 HA ALA 2 HA ALA 2 15.022 5.110 -0.091 14 HB1 ALA 2 HB1 ALA 2 14.857 3.600 1.786 15 HB2 ALA 2 HB2 ALA 2 16.374 4.214 2.438 16 HB3 ALA 2 HB3 ALA 2 16.361 3.335 0.906 17 H THR 3 HN THR 3 13.719 6.800 0.099 18 HA THR 3 HA THR 3 13.426 8.008 2.768 19 HB THR 3 HB THR 3 12.042 9.711 1.456 20 HG1 THR 3 HG1 THR 3 11.804 8.287 -0.330 21 HG21 THR 3 HG21 THR 3 14.009 10.909 0.579 22 HG22 THR 3 HG22 THR 3 14.961 9.429 0.697 23 HG23 THR 3 HG23 THR 3 14.347 10.202 2.160 24 H LEU 4 HN LEU 4 11.943 6.804 3.860 25 HA LEU 4 HA LEU 4 10.070 5.266 2.458 26 HB2 LEU 4 HB2 LEU 4 9.086 4.765 4.735 27 HB3 LEU 4 HB1 LEU 4 10.701 4.211 4.364 28 HG LEU 4 HG LEU 4 11.525 6.182 5.725 29 HD11 LEU 4 HD11 LEU 4 9.972 7.089 7.365 30 HD12 LEU 4 HD12 LEU 4 8.653 6.199 6.593 31 HD13 LEU 4 HD13 LEU 4 9.481 7.486 5.715 32 HD21 LEU 4 HD21 LEU 4 11.552 3.890 6.471 33 HD22 LEU 4 HD22 LEU 4 9.892 4.037 7.039 34 HD23 LEU 4 HD23 LEU 4 11.178 4.975 7.815 35 H LEU 5 HN LEU 5 8.016 5.255 2.197 36 HA LEU 5 HA LEU 5 6.915 7.791 1.590 37 HB2 LEU 5 HB2 LEU 5 5.143 6.613 0.497 38 HB3 LEU 5 HB1 LEU 5 6.650 5.834 0.128 39 HG LEU 5 HG LEU 5 5.386 4.019 0.337 40 HD11 LEU 5 HD11 LEU 5 5.367 2.907 2.500 41 HD12 LEU 5 HD12 LEU 5 6.038 4.373 3.215 42 HD13 LEU 5 HD13 LEU 5 6.929 3.496 1.962 43 HD21 LEU 5 HD21 LEU 5 3.404 3.724 1.674 44 HD22 LEU 5 HD22 LEU 5 3.309 5.119 0.599 45 HD23 LEU 5 HD23 LEU 5 3.600 5.351 2.331 46 H THR 6 HN THR 6 4.854 8.655 2.238 47 HA THR 6 HA THR 6 4.515 8.321 5.094 48 HB THR 6 HB THR 6 3.122 10.355 4.920 49 HG1 THR 6 HG1 THR 6 3.863 10.440 2.163 50 HG21 THR 6 HG21 THR 6 5.768 10.584 3.462 51 HG22 THR 6 HG22 THR 6 5.554 10.595 5.210 52 HG23 THR 6 HG23 THR 6 4.901 11.913 4.235 53 H THR 7 HN THR 7 2.043 8.791 5.731 54 HA THR 7 HA THR 7 0.466 6.567 4.971 55 HB THR 7 HB THR 7 -0.506 9.177 6.176 56 HG1 THR 7 HG1 THR 7 0.534 6.962 7.656 57 HG21 THR 7 HG21 THR 7 -2.243 7.526 5.572 58 HG22 THR 7 HG22 THR 7 -2.118 7.721 7.322 59 HG23 THR 7 HG23 THR 7 -1.414 6.309 6.544 60 H ASP 8 HN ASP 8 0.623 9.956 4.079 61 HA ASP 8 HA ASP 8 -1.642 10.025 2.409 62 HB2 ASP 8 HB2 ASP 8 -0.640 12.047 3.347 63 HB3 ASP 8 HB1 ASP 8 0.811 11.785 2.385 64 H ASP 9 HN ASP 9 1.792 9.443 1.744 65 HA ASP 9 HA ASP 9 1.560 9.157 -1.071 66 HB2 ASP 9 HB2 ASP 9 3.491 7.815 0.818 67 HB3 ASP 9 HB1 ASP 9 3.550 7.602 -0.922 68 H LEU 10 HN LEU 10 1.200 6.882 1.550 69 HA LEU 10 HA LEU 10 0.759 4.553 0.077 70 HB2 LEU 10 HB2 LEU 10 1.104 4.625 2.522 71 HB3 LEU 10 HB1 LEU 10 -0.462 5.381 2.717 72 HG LEU 10 HG LEU 10 -1.528 3.324 1.837 73 HD11 LEU 10 HD11 LEU 10 0.313 2.477 0.499 74 HD12 LEU 10 HD12 LEU 10 -0.206 1.273 1.678 75 HD13 LEU 10 HD13 LEU 10 1.267 2.200 1.956 76 HD21 LEU 10 HD21 LEU 10 -1.145 1.982 3.845 77 HD22 LEU 10 HD22 LEU 10 -1.302 3.697 4.234 78 HD23 LEU 10 HD23 LEU 10 0.289 2.941 4.207 79 H ARG 11 HN ARG 11 -1.485 6.992 1.285 80 HA ARG 11 HA ARG 11 -3.867 5.995 0.273 81 HB2 ARG 11 HB2 ARG 11 -3.823 7.905 1.794 82 HB3 ARG 11 HB1 ARG 11 -3.014 8.886 0.580 83 HG2 ARG 11 HG2 ARG 11 -4.966 8.787 -0.850 84 HG3 ARG 11 HG1 ARG 11 -5.780 7.735 0.302 85 HD2 ARG 11 HD2 ARG 11 -6.611 9.978 0.550 86 HD3 ARG 11 HD1 ARG 11 -5.683 9.539 1.976 87 HE ARG 11 HE ARG 11 -3.827 10.867 0.757 88 HH11 ARG 11 HH11 ARG 11 -7.300 11.648 0.740 89 HH12 ARG 11 HH12 ARG 11 -7.055 13.316 0.596 90 HH21 ARG 11 HH21 ARG 11 -3.511 13.143 0.580 91 HH22 ARG 11 HH22 ARG 11 -4.844 14.221 0.424 92 H ARG 12 HN ARG 12 -1.595 8.236 -1.260 93 HA ARG 12 HA ARG 12 -2.991 8.648 -3.653 94 HB2 ARG 12 HB2 ARG 12 0.000 8.646 -3.253 95 HB3 ARG 12 HB1 ARG 12 -0.847 9.355 -4.620 96 HG2 ARG 12 HG2 ARG 12 -1.961 10.912 -3.094 97 HG3 ARG 12 HG1 ARG 12 -1.067 10.206 -1.751 98 HD2 ARG 12 HD2 ARG 12 1.040 10.823 -2.927 99 HD3 ARG 12 HD1 ARG 12 0.061 11.686 -4.118 100 HE ARG 12 HE ARG 12 -0.115 12.337 -1.256 101 HH11 ARG 12 HH11 ARG 12 0.588 13.446 -4.570 102 HH12 ARG 12 HH12 ARG 12 0.684 15.079 -4.088 103 HH21 ARG 12 HH21 ARG 12 -0.020 14.377 -0.690 104 HH22 ARG 12 HH22 ARG 12 0.294 15.697 -1.754 105 H ALA 13 HN ALA 13 -0.403 6.343 -2.962 106 HA ALA 13 HA ALA 13 -0.299 5.209 -5.540 107 HB1 ALA 13 HB1 ALA 13 0.522 3.996 -2.912 108 HB2 ALA 13 HB2 ALA 13 1.513 5.056 -3.915 109 HB3 ALA 13 HB3 ALA 13 1.038 3.466 -4.514 110 H LEU 14 HN LEU 14 -2.313 4.580 -2.807 111 HA LEU 14 HA LEU 14 -3.236 2.031 -3.755 112 HB2 LEU 14 HB2 LEU 14 -2.926 2.772 -1.391 113 HB3 LEU 14 HB1 LEU 14 -4.354 3.775 -1.565 114 HG LEU 14 HG LEU 14 -5.649 1.675 -2.045 115 HD11 LEU 14 HD11 LEU 14 -3.780 0.279 -2.755 116 HD12 LEU 14 HD12 LEU 14 -4.636 -0.452 -1.399 117 HD13 LEU 14 HD13 LEU 14 -3.095 0.359 -1.134 118 HD21 LEU 14 HD21 LEU 14 -5.594 2.764 0.159 119 HD22 LEU 14 HD22 LEU 14 -4.238 1.728 0.620 120 HD23 LEU 14 HD23 LEU 14 -5.817 1.024 0.244 121 H VAL 15 HN VAL 15 -4.454 5.377 -3.586 122 HA VAL 15 HA VAL 15 -7.000 4.850 -4.684 123 HB VAL 15 HB VAL 15 -5.426 7.467 -4.658 124 HG11 VAL 15 HG11 VAL 15 -8.347 7.025 -5.298 125 HG12 VAL 15 HG12 VAL 15 -7.104 7.506 -6.450 126 HG13 VAL 15 HG13 VAL 15 -7.555 8.593 -5.136 127 HG21 VAL 15 HG21 VAL 15 -6.944 8.081 -2.842 128 HG22 VAL 15 HG22 VAL 15 -6.009 6.641 -2.443 129 HG23 VAL 15 HG23 VAL 15 -7.698 6.491 -2.933 130 H GLU 16 HN GLU 16 -3.888 5.598 -6.182 131 HA GLU 16 HA GLU 16 -4.775 5.868 -8.809 132 HB2 GLU 16 HB2 GLU 16 -2.183 4.693 -7.800 133 HB3 GLU 16 HB1 GLU 16 -2.498 5.088 -9.481 134 HG2 GLU 16 HG2 GLU 16 -2.338 6.982 -7.158 135 HG3 GLU 16 HG1 GLU 16 -1.202 6.826 -8.498 136 H SER 17 HN SER 17 -4.160 2.984 -6.902 137 HA SER 17 HA SER 17 -4.448 1.114 -9.012 138 HB2 SER 17 HB2 SER 17 -4.907 0.696 -6.055 139 HB3 SER 17 HB1 SER 17 -4.508 -0.536 -7.255 140 HG SER 17 HG SER 17 -2.793 0.506 -5.834 141 H ALA 18 HN ALA 18 -6.629 2.678 -6.769 142 HA ALA 18 HA ALA 18 -8.935 1.136 -7.338 143 HB1 ALA 18 HB1 ALA 18 -10.184 3.006 -6.337 144 HB2 ALA 18 HB2 ALA 18 -8.731 4.002 -6.393 145 HB3 ALA 18 HB3 ALA 18 -8.783 2.579 -5.352 146 H GLY 19 HN GLY 19 -7.744 4.242 -8.549 147 HA2 GLY 19 HA2 GLY 19 -7.811 5.028 -10.730 148 HA3 GLY 19 HA1 GLY 19 -8.724 3.597 -11.188 149 H GLU 20 HN GLU 20 -9.777 5.521 -8.534 150 HA GLU 20 HA GLU 20 -11.824 6.757 -10.219 151 HB2 GLU 20 HB2 GLU 20 -12.245 5.610 -7.452 152 HB3 GLU 20 HB1 GLU 20 -13.463 6.397 -8.444 153 HG2 GLU 20 HG2 GLU 20 -13.211 4.576 -10.103 154 HG3 GLU 20 HG1 GLU 20 -12.105 3.773 -8.990 155 H THR 21 HN THR 21 -12.432 8.829 -9.529 156 HA THR 21 HA THR 21 -10.441 10.128 -7.888 157 HB THR 21 HB THR 21 -12.777 11.245 -9.336 158 HG1 THR 21 HG1 THR 21 -10.225 11.587 -10.424 159 HG21 THR 21 HG21 THR 21 -10.220 12.543 -8.361 160 HG22 THR 21 HG22 THR 21 -11.836 12.771 -7.694 161 HG23 THR 21 HG23 THR 21 -11.458 13.364 -9.311 162 H ASP 22 HN ASP 22 -11.164 9.138 -6.053 163 HA ASP 22 HA ASP 22 -13.143 10.673 -4.585 164 HB2 ASP 22 HB2 ASP 22 -14.393 8.663 -5.455 165 HB3 ASP 22 HB1 ASP 22 -13.235 7.631 -4.628 166 H GLY 23 HN GLY 23 -12.709 10.526 -2.259 167 HA2 GLY 23 HA2 GLY 23 -9.894 9.898 -1.825 168 HA3 GLY 23 HA1 GLY 23 -10.925 10.844 -0.764 169 H THR 24 HN THR 24 -12.897 8.396 -1.330 170 HA THR 24 HA THR 24 -13.677 6.684 -0.033 171 HB THR 24 HB THR 24 -10.835 5.748 0.332 172 HG1 THR 24 HG1 THR 24 -11.973 6.571 -2.015 173 HG21 THR 24 HG21 THR 24 -12.792 4.251 0.922 174 HG22 THR 24 HG22 THR 24 -11.789 3.591 -0.362 175 HG23 THR 24 HG23 THR 24 -13.313 4.376 -0.755 176 H ASP 25 HN ASP 25 -12.133 5.436 2.209 177 HA ASP 25 HA ASP 25 -12.330 7.695 4.083 178 HB2 ASP 25 HB2 ASP 25 -12.170 4.714 4.670 179 HB3 ASP 25 HB1 ASP 25 -12.220 5.965 5.900 180 H LEU 26 HN LEU 26 -10.198 6.931 2.155 181 HA LEU 26 HA LEU 26 -7.908 6.206 3.720 182 HB2 LEU 26 HB2 LEU 26 -8.417 6.850 0.861 183 HB3 LEU 26 HB1 LEU 26 -6.783 6.993 1.461 184 HG LEU 26 HG LEU 26 -6.739 4.617 2.014 185 HD11 LEU 26 HD11 LEU 26 -9.506 4.393 0.843 186 HD12 LEU 26 HD12 LEU 26 -9.144 4.351 2.566 187 HD13 LEU 26 HD13 LEU 26 -8.508 3.097 1.502 188 HD21 LEU 26 HD21 LEU 26 -7.734 5.172 -0.765 189 HD22 LEU 26 HD22 LEU 26 -6.847 3.737 -0.255 190 HD23 LEU 26 HD23 LEU 26 -6.071 5.320 -0.195 191 H SER 27 HN SER 27 -9.506 9.103 2.968 192 HA SER 27 HA SER 27 -7.252 10.827 3.183 193 HB2 SER 27 HB2 SER 27 -10.173 11.473 3.579 194 HB3 SER 27 HB1 SER 27 -8.881 12.600 3.151 195 HG SER 27 HG SER 27 -10.422 11.291 1.539 196 H GLY 28 HN GLY 28 -6.141 10.732 5.021 197 HA2 GLY 28 HA2 GLY 28 -6.126 11.744 7.273 198 HA3 GLY 28 HA1 GLY 28 -7.619 10.850 7.569 199 H ASP 29 HN ASP 29 -7.481 8.854 8.374 200 HA ASP 29 HA ASP 29 -4.977 7.384 8.056 201 HB2 ASP 29 HB2 ASP 29 -4.892 8.297 10.315 202 HB3 ASP 29 HB1 ASP 29 -6.519 7.704 10.648 203 H PHE 30 HN PHE 30 -5.232 5.284 7.623 204 HA PHE 30 HA PHE 30 -7.885 4.050 7.778 205 HB2 PHE 30 HB2 PHE 30 -7.835 3.483 5.367 206 HB3 PHE 30 HB1 PHE 30 -7.922 5.218 5.635 207 HD1 PHE 30 HD1 PHE 30 -5.701 6.544 5.447 208 HD2 PHE 30 HD2 PHE 30 -6.189 2.580 3.987 209 HE1 PHE 30 HE1 PHE 30 -3.762 6.856 3.966 210 HE2 PHE 30 HE2 PHE 30 -4.249 2.887 2.514 211 HZ PHE 30 HZ PHE 30 -3.035 5.025 2.502 212 H LEU 31 HN LEU 31 -5.120 3.671 8.877 213 HA LEU 31 HA LEU 31 -3.783 1.650 7.466 214 HB2 LEU 31 HB2 LEU 31 -3.422 2.971 10.056 215 HB3 LEU 31 HB1 LEU 31 -2.698 1.388 9.892 216 HG LEU 31 HG LEU 31 -1.294 2.111 8.102 217 HD11 LEU 31 HD11 LEU 31 -2.860 3.531 6.928 218 HD12 LEU 31 HD12 LEU 31 -1.315 4.332 7.199 219 HD13 LEU 31 HD13 LEU 31 -2.722 4.764 8.189 220 HD21 LEU 31 HD21 LEU 31 -0.544 2.630 10.334 221 HD22 LEU 31 HD22 LEU 31 -1.377 4.185 10.268 222 HD23 LEU 31 HD23 LEU 31 -0.014 3.867 9.194 223 H ASP 32 HN ASP 32 -6.121 1.306 10.077 224 HA ASP 32 HA ASP 32 -5.631 -1.584 9.932 225 HB2 ASP 32 HB2 ASP 32 -6.948 0.067 12.033 226 HB3 ASP 32 HB1 ASP 32 -7.388 -1.626 11.877 227 H LEU 33 HN LEU 33 -7.389 0.309 8.179 228 HA LEU 33 HA LEU 33 -9.915 -1.070 8.302 229 HB2 LEU 33 HB2 LEU 33 -8.762 0.964 6.385 230 HB3 LEU 33 HB1 LEU 33 -10.278 0.162 6.062 231 HG LEU 33 HG LEU 33 -11.239 1.177 8.105 232 HD11 LEU 33 HD11 LEU 33 -8.637 2.675 8.310 233 HD12 LEU 33 HD12 LEU 33 -9.238 1.464 9.442 234 HD13 LEU 33 HD13 LEU 33 -10.096 2.993 9.251 235 HD21 LEU 33 HD21 LEU 33 -10.022 3.130 6.165 236 HD22 LEU 33 HD22 LEU 33 -11.383 3.458 7.239 237 HD23 LEU 33 HD23 LEU 33 -11.538 2.252 5.960 238 H ARG 34 HN ARG 34 -9.940 -3.115 7.724 239 HA ARG 34 HA ARG 34 -7.992 -4.416 6.179 240 HB2 ARG 34 HB2 ARG 34 -10.829 -5.240 6.707 241 HB3 ARG 34 HB1 ARG 34 -9.692 -6.226 5.812 242 HG2 ARG 34 HG2 ARG 34 -8.239 -6.213 7.835 243 HG3 ARG 34 HG1 ARG 34 -9.573 -5.426 8.696 244 HD2 ARG 34 HD2 ARG 34 -11.053 -7.255 8.116 245 HD3 ARG 34 HD1 ARG 34 -9.760 -8.034 7.212 246 HE ARG 34 HE ARG 34 -9.181 -7.502 9.963 247 HH11 ARG 34 HH11 ARG 34 -10.333 -9.880 7.559 248 HH12 ARG 34 HH12 ARG 34 -10.211 -11.203 8.625 249 HH21 ARG 34 HH21 ARG 34 -8.973 -9.397 11.401 250 HH22 ARG 34 HH22 ARG 34 -9.504 -10.920 10.803 251 H PHE 35 HN PHE 35 -7.667 -4.764 4.125 252 HA PHE 35 HA PHE 35 -8.952 -3.238 2.170 253 HB2 PHE 35 HB2 PHE 35 -7.263 -5.711 1.883 254 HB3 PHE 35 HB1 PHE 35 -7.782 -4.709 0.537 255 HD1 PHE 35 HD2 PHE 35 -7.285 -2.092 0.991 256 HD2 PHE 35 HD1 PHE 35 -5.146 -5.377 2.618 257 HE1 PHE 35 HE2 PHE 35 -5.300 -0.666 1.268 258 HE2 PHE 35 HE1 PHE 35 -3.166 -3.953 2.897 259 HZ PHE 35 HZ PHE 35 -3.241 -1.605 2.216 260 H GLU 36 HN GLU 36 -9.538 -6.407 3.372 261 HA GLU 36 HA GLU 36 -11.260 -7.470 1.467 262 HB2 GLU 36 HB2 GLU 36 -11.530 -7.710 4.461 263 HB3 GLU 36 HB1 GLU 36 -12.184 -8.807 3.261 264 HG2 GLU 36 HG2 GLU 36 -9.921 -9.430 2.607 265 HG3 GLU 36 HG1 GLU 36 -9.277 -8.332 3.834 266 H ASP 37 HN ASP 37 -11.987 -5.476 4.308 267 HA ASP 37 HA ASP 37 -14.793 -5.408 3.833 268 HB2 ASP 37 HB2 ASP 37 -13.930 -5.228 6.098 269 HB3 ASP 37 HB1 ASP 37 -13.087 -3.739 5.684 270 H ILE 38 HN ILE 38 -12.134 -3.209 3.141 271 HA ILE 38 HA ILE 38 -14.001 -1.242 2.164 272 HB ILE 38 HB ILE 38 -12.070 0.183 1.595 273 HG12 ILE 38 HG12 ILE 38 -10.391 -2.105 2.676 274 HG13 ILE 38 HG11 ILE 38 -10.454 -1.588 0.997 275 HG21 ILE 38 HG21 ILE 38 -11.291 0.564 3.896 276 HG22 ILE 38 HG22 ILE 38 -11.987 -0.988 4.369 277 HG23 ILE 38 HG23 ILE 38 -13.037 0.315 3.810 278 HD11 ILE 38 HD11 ILE 38 -8.443 -0.785 2.095 279 HD12 ILE 38 HD12 ILE 38 -9.421 0.046 3.306 280 HD13 ILE 38 HD13 ILE 38 -9.478 0.563 1.621 281 H GLY 39 HN GLY 39 -13.517 -3.923 0.875 282 HA2 GLY 39 HA2 GLY 39 -13.924 -4.778 -1.211 283 HA3 GLY 39 HA1 GLY 39 -14.367 -3.152 -1.690 284 H TYR 40 HN TYR 40 -11.145 -4.089 -0.563 285 HA TYR 40 HA TYR 40 -10.138 -3.233 -3.127 286 HB2 TYR 40 HB2 TYR 40 -9.115 -3.230 -0.407 287 HB3 TYR 40 HB1 TYR 40 -7.982 -3.858 -1.610 288 HD1 TYR 40 HD1 TYR 40 -10.150 -0.988 -0.827 289 HD2 TYR 40 HD2 TYR 40 -6.792 -2.410 -3.004 290 HE1 TYR 40 HE1 TYR 40 -9.636 1.294 -1.453 291 HE2 TYR 40 HE2 TYR 40 -6.234 -0.108 -3.658 292 HH TYR 40 HH TYR 40 -7.746 2.630 -2.238 293 H ASP 41 HN ASP 41 -9.054 -4.414 -4.425 294 HA ASP 41 HA ASP 41 -9.163 -7.315 -4.153 295 HB2 ASP 41 HB2 ASP 41 -7.959 -5.659 -6.393 296 HB3 ASP 41 HB1 ASP 41 -8.363 -7.368 -6.446 297 H SER 42 HN SER 42 -7.257 -8.599 -3.985 298 HA SER 42 HA SER 42 -5.065 -7.268 -2.787 299 HB2 SER 42 HB2 SER 42 -5.309 -10.119 -3.740 300 HB3 SER 42 HB1 SER 42 -4.036 -9.489 -2.678 301 H LEU 43 HN LEU 43 -5.807 -8.366 -5.982 302 HA LEU 43 HA LEU 43 -3.210 -7.922 -7.028 303 HB2 LEU 43 HB2 LEU 43 -5.888 -8.130 -8.302 304 HB3 LEU 43 HB1 LEU 43 -4.562 -7.476 -9.241 305 HG LEU 43 HG LEU 43 -3.288 -9.568 -8.739 306 HD11 LEU 43 HD11 LEU 43 -5.933 -10.563 -7.734 307 HD12 LEU 43 HD12 LEU 43 -4.459 -10.345 -6.790 308 HD13 LEU 43 HD13 LEU 43 -4.516 -11.556 -8.072 309 HD21 LEU 43 HD21 LEU 43 -4.333 -9.175 -10.836 310 HD22 LEU 43 HD22 LEU 43 -5.868 -9.819 -10.232 311 HD23 LEU 43 HD23 LEU 43 -4.461 -10.883 -10.407 312 H ALA 44 HN ALA 44 -5.743 -5.757 -6.148 313 HA ALA 44 HA ALA 44 -4.694 -3.498 -7.551 314 HB1 ALA 44 HB1 ALA 44 -6.225 -2.182 -6.152 315 HB2 ALA 44 HB2 ALA 44 -6.538 -3.591 -5.146 316 HB3 ALA 44 HB3 ALA 44 -7.057 -3.578 -6.833 317 H LEU 45 HN LEU 45 -4.330 -4.971 -4.408 318 HA LEU 45 HA LEU 45 -2.793 -2.989 -3.180 319 HB2 LEU 45 HB2 LEU 45 -2.580 -5.973 -2.784 320 HB3 LEU 45 HB1 LEU 45 -2.044 -4.743 -1.662 321 HG LEU 45 HG LEU 45 -4.887 -5.324 -2.433 322 HD11 LEU 45 HD11 LEU 45 -3.906 -7.004 -0.962 323 HD12 LEU 45 HD12 LEU 45 -5.098 -6.029 -0.101 324 HD13 LEU 45 HD13 LEU 45 -3.377 -5.736 0.143 325 HD21 LEU 45 HD21 LEU 45 -4.524 -2.961 -2.078 326 HD22 LEU 45 HD22 LEU 45 -3.712 -3.308 -0.553 327 HD23 LEU 45 HD23 LEU 45 -5.438 -3.655 -0.732 328 H MET 46 HN MET 46 -2.023 -5.792 -5.114 329 HA MET 46 HA MET 46 0.768 -5.728 -5.081 330 HB2 MET 46 HB2 MET 46 -1.064 -6.660 -7.305 331 HB3 MET 46 HB1 MET 46 0.651 -7.029 -7.179 332 HG2 MET 46 HG2 MET 46 0.294 -8.319 -5.192 333 HG3 MET 46 HG1 MET 46 -1.385 -7.781 -5.116 334 HE1 MET 46 HE1 MET 46 -0.619 -10.838 -4.873 335 HE2 MET 46 HE2 MET 46 -1.815 -11.580 -5.935 336 HE3 MET 46 HE3 MET 46 -2.285 -10.258 -4.866 337 H GLU 47 HN GLU 47 -1.530 -4.191 -7.315 338 HA GLU 47 HA GLU 47 0.381 -3.007 -9.002 339 HB2 GLU 47 HB2 GLU 47 -2.092 -3.221 -9.459 340 HB3 GLU 47 HB1 GLU 47 -2.350 -1.880 -8.352 341 HG2 GLU 47 HG2 GLU 47 -0.865 -0.491 -9.778 342 HG3 GLU 47 HG1 GLU 47 -0.813 -1.819 -10.933 343 H THR 48 HN THR 48 -1.135 -1.933 -6.046 344 HA THR 48 HA THR 48 -0.227 0.689 -5.834 345 HB THR 48 HB THR 48 -0.662 -1.360 -3.641 346 HG1 THR 48 HG1 THR 48 -2.579 -1.197 -4.678 347 HG21 THR 48 HG21 THR 48 0.528 0.636 -2.830 348 HG22 THR 48 HG22 THR 48 -1.117 0.583 -2.196 349 HG23 THR 48 HG23 THR 48 -0.719 1.668 -3.530 350 H ALA 49 HN ALA 49 1.198 -2.250 -4.347 351 HA ALA 49 HA ALA 49 3.514 -0.972 -3.413 352 HB1 ALA 49 HB1 ALA 49 2.709 -3.103 -2.506 353 HB2 ALA 49 HB2 ALA 49 4.392 -3.213 -3.019 354 HB3 ALA 49 HB3 ALA 49 3.117 -3.901 -4.025 355 H ALA 50 HN ALA 50 2.813 -2.637 -6.434 356 HA ALA 50 HA ALA 50 5.360 -2.812 -7.515 357 HB1 ALA 50 HB1 ALA 50 4.282 -2.955 -9.676 358 HB2 ALA 50 HB2 ALA 50 2.792 -2.293 -8.996 359 HB3 ALA 50 HB3 ALA 50 3.374 -3.872 -8.471 360 H ARG 51 HN ARG 51 3.085 -0.092 -7.645 361 HA ARG 51 HA ARG 51 4.804 1.413 -9.366 362 HB2 ARG 51 HB2 ARG 51 3.238 3.162 -9.287 363 HB3 ARG 51 HB1 ARG 51 2.246 1.739 -9.046 364 HG2 ARG 51 HG2 ARG 51 2.209 2.197 -6.625 365 HG3 ARG 51 HG1 ARG 51 3.177 3.645 -6.902 366 HD2 ARG 51 HD2 ARG 51 0.990 4.455 -6.800 367 HD3 ARG 51 HD1 ARG 51 1.295 4.324 -8.530 368 HE ARG 51 HE ARG 51 -0.422 2.627 -6.894 369 HH11 ARG 51 HH11 ARG 51 0.717 3.487 -10.179 370 HH12 ARG 51 HH12 ARG 51 -0.494 2.571 -10.945 371 HH21 ARG 51 HH21 ARG 51 -2.075 1.438 -8.000 372 HH22 ARG 51 HH22 ARG 51 -2.128 1.365 -9.676 373 H LEU 52 HN LEU 52 4.575 0.916 -5.994 374 HA LEU 52 HA LEU 52 6.094 3.225 -5.275 375 HB2 LEU 52 HB2 LEU 52 5.340 0.777 -3.688 376 HB3 LEU 52 HB1 LEU 52 6.204 2.151 -3.019 377 HG LEU 52 HG LEU 52 3.414 2.233 -4.175 378 HD11 LEU 52 HD11 LEU 52 4.357 2.397 -1.322 379 HD12 LEU 52 HD12 LEU 52 3.498 1.044 -2.052 380 HD13 LEU 52 HD13 LEU 52 2.697 2.607 -1.877 381 HD21 LEU 52 HD21 LEU 52 3.354 4.513 -3.285 382 HD22 LEU 52 HD22 LEU 52 4.610 4.326 -4.507 383 HD23 LEU 52 HD23 LEU 52 5.044 4.363 -2.796 384 H GLU 53 HN GLU 53 6.749 -0.117 -6.032 385 HA GLU 53 HA GLU 53 9.385 -0.373 -5.223 386 HB2 GLU 53 HB2 GLU 53 8.131 -1.360 -7.777 387 HB3 GLU 53 HB1 GLU 53 9.686 -1.876 -7.167 388 HG2 GLU 53 HG2 GLU 53 8.572 -2.844 -5.216 389 HG3 GLU 53 HG1 GLU 53 7.010 -2.348 -5.890 390 H SER 54 HN SER 54 8.158 0.683 -8.349 391 HA SER 54 HA SER 54 10.657 1.363 -9.416 392 HB2 SER 54 HB2 SER 54 8.623 0.833 -10.760 393 HB3 SER 54 HB1 SER 54 7.941 2.383 -10.279 394 HG SER 54 HG SER 54 10.445 2.127 -11.555 395 H ARG 55 HN ARG 55 8.278 3.277 -7.633 396 HA ARG 55 HA ARG 55 9.530 5.764 -8.230 397 HB2 ARG 55 HB2 ARG 55 7.164 5.734 -7.556 398 HB3 ARG 55 HB1 ARG 55 7.610 5.102 -5.979 399 HG2 ARG 55 HG2 ARG 55 8.845 7.144 -5.491 400 HG3 ARG 55 HG1 ARG 55 8.425 7.781 -7.074 401 HD2 ARG 55 HD2 ARG 55 6.094 7.873 -6.472 402 HD3 ARG 55 HD1 ARG 55 6.416 7.043 -4.942 403 HE ARG 55 HE ARG 55 7.988 9.397 -5.250 404 HH11 ARG 55 HH11 ARG 55 4.660 8.452 -4.264 405 HH12 ARG 55 HH12 ARG 55 4.598 9.696 -3.093 406 HH21 ARG 55 HH21 ARG 55 7.759 11.063 -3.789 407 HH22 ARG 55 HH22 ARG 55 6.313 11.275 -2.878 408 H TYR 56 HN TYR 56 9.764 3.568 -5.448 409 HA TYR 56 HA TYR 56 11.590 5.464 -4.216 410 HB2 TYR 56 HB2 TYR 56 10.109 3.130 -3.060 411 HB3 TYR 56 HB1 TYR 56 11.322 4.060 -2.181 412 HD1 TYR 56 HD1 TYR 56 10.905 6.436 -1.636 413 HD2 TYR 56 HD2 TYR 56 7.950 3.998 -3.463 414 HE1 TYR 56 HE1 TYR 56 9.177 8.057 -1.002 415 HE2 TYR 56 HE2 TYR 56 6.220 5.611 -2.842 416 HH TYR 56 HH TYR 56 6.960 8.728 -1.615 417 H GLY 57 HN GLY 57 11.774 2.397 -5.788 418 HA2 GLY 57 HA2 GLY 57 13.875 1.588 -6.499 419 HA3 GLY 57 HA1 GLY 57 14.628 2.441 -5.160 420 H VAL 58 HN VAL 58 11.939 0.147 -5.245 421 HA VAL 58 HA VAL 58 13.573 -1.684 -3.670 422 HB VAL 58 HB VAL 58 11.603 -2.370 -2.282 423 HG11 VAL 58 HG11 VAL 58 11.687 -0.473 -0.742 424 HG12 VAL 58 HG12 VAL 58 12.442 0.499 -2.007 425 HG13 VAL 58 HG13 VAL 58 13.280 -0.910 -1.357 426 HG21 VAL 58 HG21 VAL 58 9.798 -1.534 -3.701 427 HG22 VAL 58 HG22 VAL 58 10.320 0.126 -3.409 428 HG23 VAL 58 HG23 VAL 58 9.676 -0.839 -2.086 429 H SER 59 HN SER 59 12.315 -3.891 -3.418 430 HA SER 59 HA SER 59 11.008 -4.563 -5.926 431 HB2 SER 59 HB2 SER 59 12.413 -6.678 -5.919 432 HB3 SER 59 HB1 SER 59 13.318 -5.202 -6.263 433 HG SER 59 HG SER 59 14.545 -6.141 -4.719 434 H ILE 60 HN ILE 60 9.066 -5.286 -5.320 435 HA ILE 60 HA ILE 60 8.881 -7.137 -3.065 436 HB ILE 60 HB ILE 60 7.070 -4.718 -3.423 437 HG12 ILE 60 HG12 ILE 60 8.891 -5.546 -1.142 438 HG13 ILE 60 HG11 ILE 60 9.207 -4.254 -2.291 439 HG21 ILE 60 HG21 ILE 60 5.821 -5.539 -1.468 440 HG22 ILE 60 HG22 ILE 60 6.791 -7.012 -1.470 441 HG23 ILE 60 HG23 ILE 60 5.721 -6.660 -2.826 442 HD11 ILE 60 HD11 ILE 60 8.455 -3.388 -0.154 443 HD12 ILE 60 HD12 ILE 60 6.971 -4.328 -0.284 444 HD13 ILE 60 HD13 ILE 60 7.294 -3.026 -1.429 445 HA PRO 61 HA PRO 61 6.954 -9.342 -6.439 446 HB2 PRO 61 HB2 PRO 61 6.568 -11.340 -4.289 447 HB3 PRO 61 HB1 PRO 61 7.367 -11.510 -5.855 448 HG2 PRO 61 HG2 PRO 61 8.786 -11.400 -3.610 449 HG3 PRO 61 HG1 PRO 61 9.354 -10.600 -5.088 450 HD2 PRO 61 HD2 PRO 61 8.031 -9.423 -2.678 451 HD3 PRO 61 HD1 PRO 61 9.413 -8.814 -3.615 452 H ASP 62 HN ASP 62 4.946 -10.169 -6.986 453 HA ASP 62 HA ASP 62 2.678 -8.778 -6.195 454 HB2 ASP 62 HB2 ASP 62 2.945 -11.399 -7.665 455 HB3 ASP 62 HB1 ASP 62 1.389 -10.643 -7.374 456 H ASP 63 HN ASP 63 3.609 -12.094 -5.326 457 HA ASP 63 HA ASP 63 1.306 -12.766 -3.903 458 HB2 ASP 63 HB2 ASP 63 2.890 -14.479 -4.509 459 HB3 ASP 63 HB1 ASP 63 4.144 -13.731 -3.526 460 H VAL 64 HN VAL 64 4.220 -11.199 -2.817 461 HA VAL 64 HA VAL 64 3.733 -11.134 -0.035 462 HB VAL 64 HB VAL 64 5.195 -9.125 -1.728 463 HG11 VAL 64 HG11 VAL 64 5.508 -9.864 1.192 464 HG12 VAL 64 HG12 VAL 64 4.833 -8.359 0.565 465 HG13 VAL 64 HG13 VAL 64 6.540 -8.728 0.322 466 HG21 VAL 64 HG21 VAL 64 7.227 -10.454 -1.256 467 HG22 VAL 64 HG22 VAL 64 6.035 -11.330 -2.214 468 HG23 VAL 64 HG23 VAL 64 6.214 -11.683 -0.496 469 H ALA 65 HN ALA 65 3.194 -8.694 -2.557 470 HA ALA 65 HA ALA 65 1.962 -6.739 -0.930 471 HB1 ALA 65 HB1 ALA 65 1.649 -7.199 -3.886 472 HB2 ALA 65 HB2 ALA 65 2.948 -6.277 -3.131 473 HB3 ALA 65 HB3 ALA 65 1.275 -5.713 -3.015 474 H GLY 66 HN GLY 66 0.721 -9.640 -2.286 475 HA2 GLY 66 HA2 GLY 66 -2.038 -8.784 -1.909 476 HA3 GLY 66 HA1 GLY 66 -1.503 -10.320 -2.578 477 H ARG 67 HN ARG 67 0.243 -9.651 0.222 478 HA ARG 67 HA ARG 67 -1.583 -11.368 1.800 479 HB2 ARG 67 HB2 ARG 67 1.385 -10.962 2.193 480 HB3 ARG 67 HB1 ARG 67 0.359 -12.035 3.122 481 HG2 ARG 67 HG2 ARG 67 -0.041 -13.359 1.096 482 HG3 ARG 67 HG1 ARG 67 1.046 -12.284 0.213 483 HD2 ARG 67 HD2 ARG 67 1.718 -14.119 2.499 484 HD3 ARG 67 HD1 ARG 67 2.296 -14.212 0.839 485 HE ARG 67 HE ARG 67 3.003 -11.979 2.638 486 HH11 ARG 67 HH11 ARG 67 3.991 -14.270 0.111 487 HH12 ARG 67 HH12 ARG 67 5.649 -13.987 0.339 488 HH21 ARG 67 HH21 ARG 67 5.285 -11.573 2.890 489 HH22 ARG 67 HH22 ARG 67 6.399 -12.453 1.947 490 H VAL 68 HN VAL 68 -1.053 -8.240 1.505 491 HA VAL 68 HA VAL 68 -0.608 -7.736 4.314 492 HB VAL 68 HB VAL 68 -0.665 -5.272 3.682 493 HG11 VAL 68 HG11 VAL 68 1.345 -7.028 2.275 494 HG12 VAL 68 HG12 VAL 68 1.420 -6.500 3.955 495 HG13 VAL 68 HG13 VAL 68 1.557 -5.319 2.649 496 HG21 VAL 68 HG21 VAL 68 -1.936 -5.418 1.582 497 HG22 VAL 68 HG22 VAL 68 -0.634 -6.396 0.881 498 HG23 VAL 68 HG23 VAL 68 -0.331 -4.718 1.314 499 H ASP 69 HN ASP 69 -2.138 -8.066 5.539 500 HA ASP 69 HA ASP 69 -4.863 -8.269 5.140 501 HB2 ASP 69 HB2 ASP 69 -3.629 -9.106 7.099 502 HB3 ASP 69 HB1 ASP 69 -3.402 -7.462 7.658 503 H THR 70 HN THR 70 -3.117 -5.458 6.458 504 HA THR 70 HA THR 70 -5.387 -3.768 5.759 505 HB THR 70 HB THR 70 -4.786 -2.489 7.880 506 HG1 THR 70 HG1 THR 70 -3.875 -4.240 9.433 507 HG21 THR 70 HG21 THR 70 -6.103 -3.987 9.317 508 HG22 THR 70 HG22 THR 70 -5.862 -5.296 8.161 509 HG23 THR 70 HG23 THR 70 -6.804 -3.876 7.700 510 HA PRO 71 HA PRO 71 -2.543 -0.918 3.869 511 HB2 PRO 71 HB2 PRO 71 -3.601 1.175 5.704 512 HB3 PRO 71 HB1 PRO 71 -3.439 1.200 3.943 513 HG2 PRO 71 HG2 PRO 71 -5.807 0.823 5.007 514 HG3 PRO 71 HG1 PRO 71 -5.297 -0.173 3.628 515 HD2 PRO 71 HD2 PRO 71 -5.376 -0.871 6.536 516 HD3 PRO 71 HD1 PRO 71 -5.865 -1.846 5.134 517 H ARG 72 HN ARG 72 -2.641 -0.891 7.401 518 HA ARG 72 HA ARG 72 -0.273 0.561 7.799 519 HB2 ARG 72 HB2 ARG 72 -0.195 -0.378 10.052 520 HB3 ARG 72 HB1 ARG 72 -1.855 0.017 9.638 521 HG2 ARG 72 HG2 ARG 72 -2.313 -2.323 9.181 522 HG3 ARG 72 HG1 ARG 72 -0.637 -2.730 9.547 523 HD2 ARG 72 HD2 ARG 72 -2.696 -1.612 11.431 524 HD3 ARG 72 HD1 ARG 72 -2.034 -3.248 11.428 525 HE ARG 72 HE ARG 72 -0.727 -0.793 12.271 526 HH11 ARG 72 HH11 ARG 72 -0.184 -4.243 11.620 527 HH12 ARG 72 HH12 ARG 72 0.754 -4.519 13.005 528 HH21 ARG 72 HH21 ARG 72 0.708 -1.170 14.172 529 HH22 ARG 72 HH22 ARG 72 1.286 -2.736 14.476 530 H GLU 73 HN GLU 73 -0.929 -2.787 7.025 531 HA GLU 73 HA GLU 73 1.671 -3.837 7.521 532 HB2 GLU 73 HB2 GLU 73 -0.520 -4.903 5.728 533 HB3 GLU 73 HB1 GLU 73 0.853 -5.809 6.338 534 HG2 GLU 73 HG2 GLU 73 -1.405 -4.690 7.987 535 HG3 GLU 73 HG1 GLU 73 -1.216 -6.369 7.497 536 H LEU 74 HN LEU 74 -0.142 -2.699 4.729 537 HA LEU 74 HA LEU 74 1.796 -3.247 2.726 538 HB2 LEU 74 HB2 LEU 74 -0.747 -2.572 2.588 539 HB3 LEU 74 HB1 LEU 74 -0.135 -0.937 2.567 540 HG LEU 74 HG LEU 74 0.419 -3.073 0.487 541 HD11 LEU 74 HD11 LEU 74 -0.964 -1.712 -0.976 542 HD12 LEU 74 HD12 LEU 74 -1.315 -0.632 0.373 543 HD13 LEU 74 HD13 LEU 74 -1.853 -2.312 0.426 544 HD21 LEU 74 HD21 LEU 74 1.425 -1.282 -0.860 545 HD22 LEU 74 HD22 LEU 74 2.302 -1.497 0.658 546 HD23 LEU 74 HD23 LEU 74 1.187 -0.146 0.471 547 H LEU 75 HN LEU 75 1.131 -0.423 4.736 548 HA LEU 75 HA LEU 75 3.024 1.366 3.715 549 HB2 LEU 75 HB2 LEU 75 1.234 1.985 5.280 550 HB3 LEU 75 HB1 LEU 75 2.000 1.047 6.541 551 HG LEU 75 HG LEU 75 3.933 2.617 6.478 552 HD11 LEU 75 HD11 LEU 75 3.671 4.764 5.345 553 HD12 LEU 75 HD12 LEU 75 2.173 4.195 4.611 554 HD13 LEU 75 HD13 LEU 75 3.706 3.424 4.201 555 HD21 LEU 75 HD21 LEU 75 2.160 2.889 8.121 556 HD22 LEU 75 HD22 LEU 75 1.238 3.872 6.984 557 HD23 LEU 75 HD23 LEU 75 2.782 4.456 7.604 558 H ASP 76 HN ASP 76 3.235 -0.853 6.487 559 HA ASP 76 HA ASP 76 5.921 -0.352 7.117 560 HB2 ASP 76 HB2 ASP 76 4.356 -1.436 8.684 561 HB3 ASP 76 HB1 ASP 76 4.328 -2.866 7.656 562 H LEU 77 HN LEU 77 4.437 -2.695 4.990 563 HA LEU 77 HA LEU 77 6.584 -4.294 4.306 564 HB2 LEU 77 HB2 LEU 77 4.301 -4.746 3.595 565 HB3 LEU 77 HB1 LEU 77 4.289 -3.305 2.612 566 HG LEU 77 HG LEU 77 5.901 -4.312 1.084 567 HD11 LEU 77 HD11 LEU 77 5.694 -6.739 2.867 568 HD12 LEU 77 HD12 LEU 77 7.116 -5.715 2.677 569 HD13 LEU 77 HD13 LEU 77 6.530 -6.668 1.316 570 HD21 LEU 77 HD21 LEU 77 3.534 -6.078 1.672 571 HD22 LEU 77 HD22 LEU 77 4.446 -6.055 0.165 572 HD23 LEU 77 HD23 LEU 77 3.533 -4.630 0.666 573 H ILE 78 HN ILE 78 5.572 -1.247 2.788 574 HA ILE 78 HA ILE 78 7.818 -1.154 1.014 575 HB ILE 78 HB ILE 78 6.005 1.115 1.901 576 HG12 ILE 78 HG12 ILE 78 4.756 -0.724 0.826 577 HG13 ILE 78 HG11 ILE 78 4.750 0.733 -0.158 578 HG21 ILE 78 HG21 ILE 78 6.716 2.255 -0.139 579 HG22 ILE 78 HG22 ILE 78 7.858 0.952 -0.494 580 HG23 ILE 78 HG23 ILE 78 8.080 1.966 0.936 581 HD11 ILE 78 HD11 ILE 78 6.467 -1.705 -0.599 582 HD12 ILE 78 HD12 ILE 78 6.496 -0.247 -1.581 583 HD13 ILE 78 HD13 ILE 78 5.041 -1.245 -1.532 584 H ASN 79 HN ASN 79 7.026 0.408 4.109 585 HA ASN 79 HA ASN 79 9.226 2.090 4.443 586 HB2 ASN 79 HB2 ASN 79 7.755 0.516 6.571 587 HB3 ASN 79 HB1 ASN 79 8.962 1.732 6.930 588 HD21 ASN 79 HD21 ASN 79 7.955 3.424 4.703 589 HD22 ASN 79 HD22 ASN 79 6.500 4.141 5.303 590 H GLY 80 HN GLY 80 8.905 -1.264 5.540 591 HA2 GLY 80 HA2 GLY 80 11.481 -1.499 6.613 592 HA3 GLY 80 HA1 GLY 80 10.425 -2.823 6.145 593 H ALA 81 HN ALA 81 10.238 -2.229 3.384 594 HA ALA 81 HA ALA 81 12.552 -3.497 2.419 595 HB1 ALA 81 HB1 ALA 81 11.654 -3.040 0.185 596 HB2 ALA 81 HB2 ALA 81 10.496 -1.904 0.879 597 HB3 ALA 81 HB3 ALA 81 10.390 -3.617 1.272 598 H LEU 82 HN LEU 82 11.587 -0.144 2.570 599 HA LEU 82 HA LEU 82 13.844 0.857 1.168 600 HB2 LEU 82 HB2 LEU 82 11.807 2.157 2.954 601 HB3 LEU 82 HB1 LEU 82 13.138 3.059 2.250 602 HG LEU 82 HG LEU 82 11.147 1.514 0.589 603 HD11 LEU 82 HD11 LEU 82 10.129 3.665 0.088 604 HD12 LEU 82 HD12 LEU 82 11.208 4.454 1.240 605 HD13 LEU 82 HD13 LEU 82 10.002 3.302 1.806 606 HD21 LEU 82 HD21 LEU 82 12.059 2.834 -1.221 607 HD22 LEU 82 HD22 LEU 82 13.341 1.934 -0.414 608 HD23 LEU 82 HD23 LEU 82 13.143 3.659 -0.104 609 H ALA 83 HN ALA 83 13.054 0.583 4.611 610 HA ALA 83 HA ALA 83 15.429 1.645 5.633 611 HB1 ALA 83 HB1 ALA 83 13.716 -0.541 6.813 612 HB2 ALA 83 HB2 ALA 83 13.442 1.192 6.993 613 HB3 ALA 83 HB3 ALA 83 14.880 0.452 7.692 614 H GLU 84 HN GLU 84 14.675 -1.548 4.460 615 HA GLU 84 HA GLU 84 16.988 -2.928 5.242 616 HB2 GLU 84 HB2 GLU 84 14.889 -3.956 4.430 617 HB3 GLU 84 HB1 GLU 84 15.219 -3.332 2.824 618 HG2 GLU 84 HG2 GLU 84 17.259 -4.711 2.758 619 HG3 GLU 84 HG1 GLU 84 16.818 -5.375 4.334 620 H ALA 85 HN ALA 85 16.182 -1.111 2.317 621 HA ALA 85 HA ALA 85 18.624 -1.656 0.964 622 HB1 ALA 85 HB1 ALA 85 16.623 0.548 0.447 623 HB2 ALA 85 HB2 ALA 85 16.558 -1.079 -0.233 624 HB3 ALA 85 HB3 ALA 85 17.884 0.002 -0.661 625 H ALA 86 HN ALA 86 17.401 1.217 2.631 626 HA ALA 86 HA ALA 86 18.332 2.985 3.616 627 HB1 ALA 86 HB1 ALA 86 20.898 1.389 3.735 628 HB2 ALA 86 HB2 ALA 86 19.594 1.311 4.920 629 HB3 ALA 86 HB3 ALA 86 20.496 2.810 4.705 630 H282 PNS 87 H28A PNS 87 -8.227 -12.348 -3.734 631 H281 PNS 87 H28B PNS 87 -9.478 -11.382 -2.953 632 H303 PNS 87 H30A PNS 87 -10.680 -11.964 -6.370 633 H302 PNS 87 H30B PNS 87 -11.008 -12.219 -4.654 634 H301 PNS 87 H30C PNS 87 -9.691 -13.091 -5.442 635 H313 PNS 87 H31A PNS 87 -9.407 -8.931 -4.645 636 H312 PNS 87 H31B PNS 87 -10.864 -9.838 -4.241 637 H311 PNS 87 H31C PNS 87 -10.481 -9.487 -5.928 638 H32 PNS 87 H32A PNS 87 -7.362 -11.649 -6.020 639 H33 PNS 87 H33A PNS 87 -7.920 -9.162 -6.780 640 H36 PNS 87 H36A PNS 87 -8.577 -12.827 -7.667 641 H372 PNS 87 H37A PNS 87 -10.380 -12.171 -9.474 642 H371 PNS 87 H37B PNS 87 -8.988 -11.271 -10.087 643 H382 PNS 87 H38A PNS 87 -9.059 -14.259 -9.561 644 H381 PNS 87 H38B PNS 87 -9.410 -13.519 -11.096 645 H41 PNS 87 H41A PNS 87 -7.770 -14.836 -11.885 646 H422 PNS 87 H42A PNS 87 -5.238 -13.503 -12.131 647 H421 PNS 87 H42B PNS 87 -5.138 -15.102 -11.378 648 H431 PNS 87 H43A PNS 87 -6.133 -16.098 -13.329 649 H432 PNS 87 H43B PNS 87 -4.755 -15.117 -13.852 650 H44 PNS 87 H1 PNS 87 -6.764 -14.797 -15.748 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 20.623 6.615 1.412 2 H2 MET 1 HT2 MET 1 19.416 5.912 0.459 3 H3 MET 1 HT3 MET 1 19.747 5.276 1.996 4 HA MET 1 HA MET 1 18.994 7.237 3.057 5 HB2 MET 1 HB2 MET 1 19.606 8.833 1.276 6 HB3 MET 1 HB1 MET 1 18.338 8.181 0.248 7 HG2 MET 1 HG2 MET 1 16.647 8.954 1.822 8 HG3 MET 1 HG1 MET 1 17.907 9.569 2.886 9 HE1 MET 1 HE1 MET 1 19.475 11.642 2.285 10 HE2 MET 1 HE2 MET 1 19.426 12.484 0.736 11 HE3 MET 1 HE3 MET 1 19.983 10.812 0.815 12 H ALA 2 HN ALA 2 17.432 6.183 4.030 13 HA ALA 2 HA ALA 2 15.444 4.809 2.425 14 HB1 ALA 2 HB1 ALA 2 14.732 3.737 4.478 15 HB2 ALA 2 HB2 ALA 2 15.804 4.775 5.418 16 HB3 ALA 2 HB3 ALA 2 16.482 3.597 4.291 17 H THR 3 HN THR 3 14.363 6.619 1.595 18 HA THR 3 HA THR 3 12.943 8.363 3.359 19 HB THR 3 HB THR 3 12.032 8.997 0.986 20 HG1 THR 3 HG1 THR 3 13.270 8.306 -0.676 21 HG21 THR 3 HG21 THR 3 14.936 9.392 1.731 22 HG22 THR 3 HG22 THR 3 13.585 10.377 2.292 23 HG23 THR 3 HG23 THR 3 14.029 10.380 0.588 24 H LEU 4 HN LEU 4 11.215 7.477 4.331 25 HA LEU 4 HA LEU 4 9.857 5.226 3.100 26 HB2 LEU 4 HB2 LEU 4 9.441 6.475 5.809 27 HB3 LEU 4 HB1 LEU 4 8.775 4.955 5.252 28 HG LEU 4 HG LEU 4 11.681 5.547 5.806 29 HD11 LEU 4 HD11 LEU 4 11.418 3.907 7.592 30 HD12 LEU 4 HD12 LEU 4 9.704 3.767 7.208 31 HD13 LEU 4 HD13 LEU 4 10.350 5.295 7.808 32 HD21 LEU 4 HD21 LEU 4 11.473 4.010 3.918 33 HD22 LEU 4 HD22 LEU 4 10.393 2.985 4.862 34 HD23 LEU 4 HD23 LEU 4 12.077 3.172 5.347 35 H LEU 5 HN LEU 5 7.532 5.200 3.019 36 HA LEU 5 HA LEU 5 6.432 7.575 1.901 37 HB2 LEU 5 HB2 LEU 5 5.132 5.000 2.749 38 HB3 LEU 5 HB1 LEU 5 4.329 6.280 1.868 39 HG LEU 5 HG LEU 5 6.661 4.684 0.837 40 HD11 LEU 5 HD11 LEU 5 4.648 3.330 1.121 41 HD12 LEU 5 HD12 LEU 5 4.977 3.626 -0.587 42 HD13 LEU 5 HD13 LEU 5 3.705 4.529 0.234 43 HD21 LEU 5 HD21 LEU 5 4.818 6.665 -0.491 44 HD22 LEU 5 HD22 LEU 5 6.060 5.696 -1.288 45 HD23 LEU 5 HD23 LEU 5 6.525 6.916 -0.101 46 H THR 6 HN THR 6 4.927 8.923 2.768 47 HA THR 6 HA THR 6 4.477 8.771 5.607 48 HB THR 6 HB THR 6 3.042 10.835 5.145 49 HG1 THR 6 HG1 THR 6 4.365 10.800 2.633 50 HG21 THR 6 HG21 THR 6 5.343 11.026 5.984 51 HG22 THR 6 HG22 THR 6 4.980 12.326 4.848 52 HG23 THR 6 HG23 THR 6 5.958 10.950 4.333 53 H THR 7 HN THR 7 1.956 9.357 6.088 54 HA THR 7 HA THR 7 0.518 7.083 5.282 55 HB THR 7 HB THR 7 -0.520 9.617 6.575 56 HG1 THR 7 HG1 THR 7 0.115 8.505 8.554 57 HG21 THR 7 HG21 THR 7 -2.196 7.909 5.969 58 HG22 THR 7 HG22 THR 7 -2.025 8.042 7.721 59 HG23 THR 7 HG23 THR 7 -1.278 6.697 6.862 60 H ASP 8 HN ASP 8 0.633 10.478 4.419 61 HA ASP 8 HA ASP 8 -1.638 10.621 2.786 62 HB2 ASP 8 HB2 ASP 8 -0.475 12.585 3.695 63 HB3 ASP 8 HB1 ASP 8 0.856 12.291 2.574 64 H ASP 9 HN ASP 9 1.774 10.014 1.924 65 HA ASP 9 HA ASP 9 1.145 10.017 -0.853 66 HB2 ASP 9 HB2 ASP 9 3.492 10.376 0.136 67 HB3 ASP 9 HB1 ASP 9 3.566 8.620 0.291 68 H LEU 10 HN LEU 10 1.236 7.543 1.599 69 HA LEU 10 HA LEU 10 0.843 5.349 -0.169 70 HB2 LEU 10 HB2 LEU 10 1.599 5.066 2.169 71 HB3 LEU 10 HB1 LEU 10 0.040 5.631 2.738 72 HG LEU 10 HG LEU 10 -1.004 3.656 1.597 73 HD11 LEU 10 HD11 LEU 10 0.419 1.771 0.992 74 HD12 LEU 10 HD12 LEU 10 1.850 2.765 1.262 75 HD13 LEU 10 HD13 LEU 10 0.717 3.181 -0.025 76 HD21 LEU 10 HD21 LEU 10 -0.327 2.050 3.316 77 HD22 LEU 10 HD22 LEU 10 -0.581 3.660 3.992 78 HD23 LEU 10 HD23 LEU 10 1.056 3.067 3.716 79 H ARG 11 HN ARG 11 -1.281 7.533 1.582 80 HA ARG 11 HA ARG 11 -3.766 6.478 0.910 81 HB2 ARG 11 HB2 ARG 11 -3.447 8.327 2.531 82 HB3 ARG 11 HB1 ARG 11 -2.981 9.396 1.220 83 HG2 ARG 11 HG2 ARG 11 -5.221 9.214 0.270 84 HG3 ARG 11 HG1 ARG 11 -5.687 8.122 1.571 85 HD2 ARG 11 HD2 ARG 11 -6.497 10.340 2.072 86 HD3 ARG 11 HD1 ARG 11 -5.216 9.919 3.203 87 HE ARG 11 HE ARG 11 -3.735 11.387 1.931 88 HH11 ARG 11 HH11 ARG 11 -7.222 11.820 1.436 89 HH12 ARG 11 HH12 ARG 11 -7.081 13.391 0.806 90 HH21 ARG 11 HH21 ARG 11 -3.563 13.558 1.237 91 HH22 ARG 11 HH22 ARG 11 -4.945 14.449 0.737 92 H ARG 12 HN ARG 12 -1.831 8.912 -0.777 93 HA ARG 12 HA ARG 12 -3.515 9.208 -3.000 94 HB2 ARG 12 HB2 ARG 12 -0.508 9.568 -2.908 95 HB3 ARG 12 HB1 ARG 12 -1.564 10.146 -4.193 96 HG2 ARG 12 HG2 ARG 12 -2.763 11.494 -2.453 97 HG3 ARG 12 HG1 ARG 12 -1.472 11.060 -1.338 98 HD2 ARG 12 HD2 ARG 12 -1.133 12.515 -3.954 99 HD3 ARG 12 HD1 ARG 12 -1.137 13.262 -2.362 100 HE ARG 12 HE ARG 12 0.858 11.230 -2.628 101 HH11 ARG 12 HH11 ARG 12 0.131 14.659 -3.260 102 HH12 ARG 12 HH12 ARG 12 1.765 15.124 -3.342 103 HH21 ARG 12 HH21 ARG 12 3.120 11.895 -2.718 104 HH22 ARG 12 HH22 ARG 12 3.482 13.548 -3.003 105 H ALA 13 HN ALA 13 -0.767 7.095 -2.490 106 HA ALA 13 HA ALA 13 -0.469 5.801 -4.902 107 HB1 ALA 13 HB1 ALA 13 0.401 3.920 -3.632 108 HB2 ALA 13 HB2 ALA 13 -0.329 4.563 -2.159 109 HB3 ALA 13 HB3 ALA 13 0.967 5.449 -2.962 110 H LEU 14 HN LEU 14 -2.568 4.936 -2.253 111 HA LEU 14 HA LEU 14 -3.546 2.631 -3.564 112 HB2 LEU 14 HB2 LEU 14 -3.063 2.856 -1.296 113 HB3 LEU 14 HB1 LEU 14 -4.351 4.017 -1.034 114 HG LEU 14 HG LEU 14 -6.013 2.233 -1.725 115 HD11 LEU 14 HD11 LEU 14 -4.499 0.799 -2.967 116 HD12 LEU 14 HD12 LEU 14 -5.293 -0.097 -1.673 117 HD13 LEU 14 HD13 LEU 14 -3.619 0.422 -1.486 118 HD21 LEU 14 HD21 LEU 14 -5.630 2.767 0.621 119 HD22 LEU 14 HD22 LEU 14 -4.303 1.605 0.677 120 HD23 LEU 14 HD23 LEU 14 -5.957 1.049 0.410 121 H VAL 15 HN VAL 15 -4.681 5.935 -3.245 122 HA VAL 15 HA VAL 15 -7.291 5.385 -4.303 123 HB VAL 15 HB VAL 15 -5.713 8.004 -4.278 124 HG11 VAL 15 HG11 VAL 15 -7.413 8.023 -6.049 125 HG12 VAL 15 HG12 VAL 15 -7.859 9.116 -4.738 126 HG13 VAL 15 HG13 VAL 15 -8.641 7.543 -4.878 127 HG21 VAL 15 HG21 VAL 15 -7.955 7.030 -2.509 128 HG22 VAL 15 HG22 VAL 15 -7.205 8.623 -2.435 129 HG23 VAL 15 HG23 VAL 15 -6.260 7.184 -2.049 130 H GLU 16 HN GLU 16 -4.221 6.503 -5.654 131 HA GLU 16 HA GLU 16 -5.003 6.681 -8.325 132 HB2 GLU 16 HB2 GLU 16 -2.284 6.178 -7.111 133 HB3 GLU 16 HB1 GLU 16 -2.546 6.476 -8.822 134 HG2 GLU 16 HG2 GLU 16 -3.496 8.672 -8.297 135 HG3 GLU 16 HG1 GLU 16 -3.218 8.376 -6.582 136 H SER 17 HN SER 17 -4.291 3.898 -6.414 137 HA SER 17 HA SER 17 -3.734 2.092 -8.535 138 HB2 SER 17 HB2 SER 17 -4.904 1.502 -5.800 139 HB3 SER 17 HB1 SER 17 -4.187 0.321 -6.894 140 HG SER 17 HG SER 17 -2.717 2.583 -6.038 141 H ALA 18 HN ALA 18 -6.725 2.890 -6.779 142 HA ALA 18 HA ALA 18 -8.415 1.158 -8.239 143 HB1 ALA 18 HB1 ALA 18 -9.015 2.035 -6.022 144 HB2 ALA 18 HB2 ALA 18 -10.257 2.410 -7.217 145 HB3 ALA 18 HB3 ALA 18 -9.128 3.660 -6.696 146 H GLY 19 HN GLY 19 -7.907 4.648 -8.418 147 HA2 GLY 19 HA2 GLY 19 -7.684 5.942 -10.322 148 HA3 GLY 19 HA1 GLY 19 -8.030 4.526 -11.294 149 H GLU 20 HN GLU 20 -10.382 3.811 -11.160 150 HA GLU 20 HA GLU 20 -11.960 6.253 -11.615 151 HB2 GLU 20 HB2 GLU 20 -12.159 3.551 -12.917 152 HB3 GLU 20 HB1 GLU 20 -13.293 4.860 -13.186 153 HG2 GLU 20 HG2 GLU 20 -10.345 4.966 -13.801 154 HG3 GLU 20 HG1 GLU 20 -11.617 4.632 -14.971 155 H THR 21 HN THR 21 -13.279 6.628 -9.982 156 HA THR 21 HA THR 21 -15.259 6.573 -8.939 157 HB THR 21 HB THR 21 -15.645 3.855 -10.071 158 HG1 THR 21 HG1 THR 21 -16.192 6.493 -11.002 159 HG21 THR 21 HG21 THR 21 -17.639 5.886 -9.032 160 HG22 THR 21 HG22 THR 21 -17.214 4.357 -8.268 161 HG23 THR 21 HG23 THR 21 -18.073 4.363 -9.810 162 H ASP 22 HN ASP 22 -14.790 6.610 -6.984 163 HA ASP 22 HA ASP 22 -15.077 6.115 -4.793 164 HB2 ASP 22 HB2 ASP 22 -17.032 4.787 -5.731 165 HB3 ASP 22 HB1 ASP 22 -16.019 3.358 -5.643 166 H GLY 23 HN GLY 23 -14.706 3.706 -3.375 167 HA2 GLY 23 HA2 GLY 23 -12.725 2.203 -3.137 168 HA3 GLY 23 HA1 GLY 23 -11.802 3.720 -3.224 169 H THR 24 HN THR 24 -12.724 5.499 -1.940 170 HA THR 24 HA THR 24 -14.464 5.639 -0.020 171 HB THR 24 HB THR 24 -13.459 3.770 1.305 172 HG1 THR 24 HG1 THR 24 -14.088 5.014 2.907 173 HG21 THR 24 HG21 THR 24 -11.171 3.907 2.213 174 HG22 THR 24 HG22 THR 24 -10.901 5.390 1.300 175 HG23 THR 24 HG23 THR 24 -11.166 3.863 0.451 176 H ASP 25 HN ASP 25 -13.204 7.277 1.809 177 HA ASP 25 HA ASP 25 -12.093 9.323 0.032 178 HB2 ASP 25 HB2 ASP 25 -12.377 10.893 1.847 179 HB3 ASP 25 HB1 ASP 25 -13.835 9.910 1.793 180 H LEU 26 HN LEU 26 -11.289 7.153 2.573 181 HA LEU 26 HA LEU 26 -9.377 6.145 3.238 182 HB2 LEU 26 HB2 LEU 26 -9.127 6.205 0.670 183 HB3 LEU 26 HB1 LEU 26 -7.983 7.497 0.939 184 HG LEU 26 HG LEU 26 -6.642 5.884 2.344 185 HD11 LEU 26 HD11 LEU 26 -8.412 4.291 2.830 186 HD12 LEU 26 HD12 LEU 26 -7.069 3.503 2.007 187 HD13 LEU 26 HD13 LEU 26 -8.541 3.889 1.118 188 HD21 LEU 26 HD21 LEU 26 -7.109 5.171 -0.545 189 HD22 LEU 26 HD22 LEU 26 -5.692 4.739 0.407 190 HD23 LEU 26 HD23 LEU 26 -6.031 6.433 0.051 191 H SER 27 HN SER 27 -9.973 9.079 4.056 192 HA SER 27 HA SER 27 -7.205 9.881 4.507 193 HB2 SER 27 HB2 SER 27 -9.657 11.619 4.630 194 HB3 SER 27 HB1 SER 27 -7.977 12.160 4.700 195 HG SER 27 HG SER 27 -9.069 10.690 2.551 196 H GLY 28 HN GLY 28 -9.901 8.863 6.064 197 HA2 GLY 28 HA2 GLY 28 -9.098 10.011 8.665 198 HA3 GLY 28 HA1 GLY 28 -10.636 9.223 8.346 199 H ASP 29 HN ASP 29 -7.192 8.659 8.655 200 HA ASP 29 HA ASP 29 -5.905 6.865 9.051 201 HB2 ASP 29 HB2 ASP 29 -6.662 7.287 11.366 202 HB3 ASP 29 HB1 ASP 29 -8.018 6.188 11.121 203 H PHE 30 HN PHE 30 -5.906 5.747 7.250 204 HA PHE 30 HA PHE 30 -8.053 3.825 6.890 205 HB2 PHE 30 HB2 PHE 30 -7.260 3.578 4.610 206 HB3 PHE 30 HB1 PHE 30 -7.560 5.260 5.004 207 HD1 PHE 30 HD1 PHE 30 -5.579 6.751 5.489 208 HD2 PHE 30 HD2 PHE 30 -5.161 2.865 3.824 209 HE1 PHE 30 HE1 PHE 30 -3.317 7.325 4.724 210 HE2 PHE 30 HE2 PHE 30 -2.905 3.434 3.056 211 HZ PHE 30 HZ PHE 30 -2.005 5.667 3.427 212 H LEU 31 HN LEU 31 -5.312 3.715 8.530 213 HA LEU 31 HA LEU 31 -4.158 1.359 7.342 214 HB2 LEU 31 HB2 LEU 31 -3.477 2.548 10.044 215 HB3 LEU 31 HB1 LEU 31 -2.584 1.307 9.195 216 HG LEU 31 HG LEU 31 -1.339 3.257 9.000 217 HD11 LEU 31 HD11 LEU 31 -2.807 2.907 6.413 218 HD12 LEU 31 HD12 LEU 31 -1.385 2.020 6.961 219 HD13 LEU 31 HD13 LEU 31 -1.270 3.747 6.618 220 HD21 LEU 31 HD21 LEU 31 -3.814 4.669 8.075 221 HD22 LEU 31 HD22 LEU 31 -2.198 5.401 8.202 222 HD23 LEU 31 HD23 LEU 31 -3.049 4.817 9.651 223 H ASP 32 HN ASP 32 -6.528 2.003 9.754 224 HA ASP 32 HA ASP 32 -6.358 -0.654 10.901 225 HB2 ASP 32 HB2 ASP 32 -7.017 1.163 12.367 226 HB3 ASP 32 HB1 ASP 32 -8.389 1.547 11.336 227 H LEU 33 HN LEU 33 -8.126 0.889 8.377 228 HA LEU 33 HA LEU 33 -10.228 -1.030 8.218 229 HB2 LEU 33 HB2 LEU 33 -9.176 0.950 6.187 230 HB3 LEU 33 HB1 LEU 33 -10.478 -0.158 5.834 231 HG LEU 33 HG LEU 33 -11.444 1.938 6.269 232 HD11 LEU 33 HD11 LEU 33 -12.863 1.533 8.202 233 HD12 LEU 33 HD12 LEU 33 -11.791 0.225 8.701 234 HD13 LEU 33 HD13 LEU 33 -12.678 0.108 7.181 235 HD21 LEU 33 HD21 LEU 33 -11.105 3.214 8.336 236 HD22 LEU 33 HD22 LEU 33 -9.604 3.022 7.426 237 HD23 LEU 33 HD23 LEU 33 -9.900 2.035 8.856 238 H ARG 34 HN ARG 34 -10.394 -2.798 6.863 239 HA ARG 34 HA ARG 34 -7.818 -3.908 6.136 240 HB2 ARG 34 HB2 ARG 34 -10.596 -5.070 6.049 241 HB3 ARG 34 HB1 ARG 34 -9.099 -5.950 5.771 242 HG2 ARG 34 HG2 ARG 34 -8.410 -5.540 8.042 243 HG3 ARG 34 HG1 ARG 34 -9.900 -4.628 8.357 244 HD2 ARG 34 HD2 ARG 34 -10.081 -6.924 9.171 245 HD3 ARG 34 HD1 ARG 34 -11.207 -6.634 7.839 246 HE ARG 34 HE ARG 34 -8.586 -7.853 7.386 247 HH11 ARG 34 HH11 ARG 34 -12.129 -8.054 7.095 248 HH12 ARG 34 HH12 ARG 34 -12.074 -9.412 6.049 249 HH21 ARG 34 HH21 ARG 34 -8.566 -9.626 6.073 250 HH22 ARG 34 HH22 ARG 34 -9.987 -10.424 5.515 251 H PHE 35 HN PHE 35 -7.549 -4.823 3.991 252 HA PHE 35 HA PHE 35 -8.471 -3.058 1.981 253 HB2 PHE 35 HB2 PHE 35 -7.006 -5.679 1.801 254 HB3 PHE 35 HB1 PHE 35 -7.478 -4.755 0.377 255 HD1 PHE 35 HD2 PHE 35 -6.855 -2.116 0.706 256 HD2 PHE 35 HD1 PHE 35 -4.853 -5.438 2.436 257 HE1 PHE 35 HE2 PHE 35 -4.830 -0.757 0.970 258 HE2 PHE 35 HE1 PHE 35 -2.828 -4.082 2.709 259 HZ PHE 35 HZ PHE 35 -2.797 -1.741 1.790 260 H GLU 36 HN GLU 36 -9.540 -6.113 3.154 261 HA GLU 36 HA GLU 36 -11.360 -6.655 1.090 262 HB2 GLU 36 HB2 GLU 36 -10.604 -8.355 2.659 263 HB3 GLU 36 HB1 GLU 36 -11.363 -7.498 3.988 264 HG2 GLU 36 HG2 GLU 36 -13.513 -8.035 3.228 265 HG3 GLU 36 HG1 GLU 36 -12.904 -8.580 1.661 266 H ASP 37 HN ASP 37 -11.522 -4.550 3.877 267 HA ASP 37 HA ASP 37 -14.347 -4.148 3.837 268 HB2 ASP 37 HB2 ASP 37 -12.172 -2.328 4.919 269 HB3 ASP 37 HB1 ASP 37 -13.889 -2.037 5.119 270 H ILE 38 HN ILE 38 -11.613 -2.528 2.361 271 HA ILE 38 HA ILE 38 -13.416 -0.636 1.113 272 HB ILE 38 HB ILE 38 -11.392 0.487 0.206 273 HG12 ILE 38 HG12 ILE 38 -9.892 -1.548 1.889 274 HG13 ILE 38 HG11 ILE 38 -9.901 -1.492 0.132 275 HG21 ILE 38 HG21 ILE 38 -10.647 1.372 2.380 276 HG22 ILE 38 HG22 ILE 38 -11.462 0.021 3.177 277 HG23 ILE 38 HG23 ILE 38 -12.405 1.210 2.280 278 HD11 ILE 38 HD11 ILE 38 -8.784 0.676 0.193 279 HD12 ILE 38 HD12 ILE 38 -7.852 -0.551 1.055 280 HD13 ILE 38 HD13 ILE 38 -8.795 0.634 1.957 281 H GLY 39 HN GLY 39 -13.160 -3.529 0.347 282 HA2 GLY 39 HA2 GLY 39 -13.696 -4.686 -1.583 283 HA3 GLY 39 HA1 GLY 39 -13.892 -3.131 -2.368 284 H TYR 40 HN TYR 40 -10.853 -4.060 -0.905 285 HA TYR 40 HA TYR 40 -9.684 -4.070 -3.561 286 HB2 TYR 40 HB2 TYR 40 -8.849 -3.121 -0.937 287 HB3 TYR 40 HB1 TYR 40 -7.621 -4.073 -1.759 288 HD1 TYR 40 HD1 TYR 40 -9.644 -1.050 -1.841 289 HD2 TYR 40 HD2 TYR 40 -6.544 -3.208 -3.781 290 HE1 TYR 40 HE1 TYR 40 -9.092 0.945 -3.140 291 HE2 TYR 40 HE2 TYR 40 -5.973 -1.202 -5.095 292 HH TYR 40 HH TYR 40 -7.204 0.909 -5.856 293 H ASP 41 HN ASP 41 -9.191 -5.950 -4.398 294 HA ASP 41 HA ASP 41 -8.811 -8.235 -2.640 295 HB2 ASP 41 HB2 ASP 41 -8.831 -8.083 -5.672 296 HB3 ASP 41 HB1 ASP 41 -8.516 -9.551 -4.767 297 H SER 42 HN SER 42 -6.992 -9.599 -2.994 298 HA SER 42 HA SER 42 -4.604 -8.411 -2.366 299 HB2 SER 42 HB2 SER 42 -4.974 -11.142 -3.601 300 HB3 SER 42 HB1 SER 42 -3.633 -10.615 -2.573 301 H LEU 43 HN LEU 43 -5.757 -9.297 -5.565 302 HA LEU 43 HA LEU 43 -3.240 -9.028 -6.870 303 HB2 LEU 43 HB2 LEU 43 -6.019 -8.885 -8.036 304 HB3 LEU 43 HB1 LEU 43 -4.545 -8.967 -8.975 305 HG LEU 43 HG LEU 43 -5.611 -11.115 -7.143 306 HD11 LEU 43 HD11 LEU 43 -6.863 -10.903 -9.212 307 HD12 LEU 43 HD12 LEU 43 -5.905 -12.384 -9.209 308 HD13 LEU 43 HD13 LEU 43 -5.367 -10.990 -10.144 309 HD21 LEU 43 HD21 LEU 43 -3.769 -12.493 -7.999 310 HD22 LEU 43 HD22 LEU 43 -3.170 -11.086 -7.121 311 HD23 LEU 43 HD23 LEU 43 -3.139 -11.104 -8.884 312 H ALA 44 HN ALA 44 -5.789 -6.763 -6.093 313 HA ALA 44 HA ALA 44 -4.820 -4.683 -7.784 314 HB1 ALA 44 HB1 ALA 44 -6.627 -4.517 -5.373 315 HB2 ALA 44 HB2 ALA 44 -7.159 -4.775 -7.034 316 HB3 ALA 44 HB3 ALA 44 -6.389 -3.254 -6.580 317 H LEU 45 HN LEU 45 -4.105 -5.827 -4.630 318 HA LEU 45 HA LEU 45 -2.826 -3.526 -3.562 319 HB2 LEU 45 HB2 LEU 45 -2.327 -6.419 -2.939 320 HB3 LEU 45 HB1 LEU 45 -1.858 -5.055 -1.950 321 HG LEU 45 HG LEU 45 -4.681 -5.882 -2.554 322 HD11 LEU 45 HD11 LEU 45 -4.753 -6.441 -0.177 323 HD12 LEU 45 HD12 LEU 45 -3.043 -6.034 -0.032 324 HD13 LEU 45 HD13 LEU 45 -3.543 -7.402 -1.028 325 HD21 LEU 45 HD21 LEU 45 -5.249 -4.135 -0.928 326 HD22 LEU 45 HD22 LEU 45 -4.442 -3.488 -2.363 327 HD23 LEU 45 HD23 LEU 45 -3.541 -3.689 -0.860 328 H MET 46 HN MET 46 -1.872 -6.119 -5.588 329 HA MET 46 HA MET 46 0.927 -5.797 -5.447 330 HB2 MET 46 HB2 MET 46 -0.813 -6.915 -7.638 331 HB3 MET 46 HB1 MET 46 0.939 -7.047 -7.596 332 HG2 MET 46 HG2 MET 46 0.843 -8.409 -5.601 333 HG3 MET 46 HG1 MET 46 -0.901 -8.127 -5.491 334 HE1 MET 46 HE1 MET 46 0.995 -10.416 -9.000 335 HE2 MET 46 HE2 MET 46 1.947 -9.650 -7.729 336 HE3 MET 46 HE3 MET 46 0.993 -8.661 -8.835 337 H GLU 47 HN GLU 47 -1.597 -4.303 -7.348 338 HA GLU 47 HA GLU 47 0.064 -2.911 -9.173 339 HB2 GLU 47 HB2 GLU 47 -2.380 -3.326 -9.448 340 HB3 GLU 47 HB1 GLU 47 -2.694 -2.194 -8.149 341 HG2 GLU 47 HG2 GLU 47 -3.078 -1.116 -10.274 342 HG3 GLU 47 HG1 GLU 47 -1.684 -0.391 -9.473 343 H THR 48 HN THR 48 -1.483 -2.032 -6.099 344 HA THR 48 HA THR 48 -0.595 0.553 -5.768 345 HB THR 48 HB THR 48 -0.932 -1.579 -3.643 346 HG1 THR 48 HG1 THR 48 -2.770 0.057 -5.050 347 HG21 THR 48 HG21 THR 48 -1.328 1.427 -3.566 348 HG22 THR 48 HG22 THR 48 0.011 0.543 -2.822 349 HG23 THR 48 HG23 THR 48 -1.636 0.303 -2.239 350 H ALA 49 HN ALA 49 0.885 -2.476 -4.587 351 HA ALA 49 HA ALA 49 3.176 -1.302 -3.482 352 HB1 ALA 49 HB1 ALA 49 4.066 -3.561 -3.359 353 HB2 ALA 49 HB2 ALA 49 2.810 -4.127 -4.462 354 HB3 ALA 49 HB3 ALA 49 2.375 -3.522 -2.862 355 H ALA 50 HN ALA 50 2.623 -2.683 -6.726 356 HA ALA 50 HA ALA 50 5.313 -2.507 -7.536 357 HB1 ALA 50 HB1 ALA 50 2.853 -2.529 -9.275 358 HB2 ALA 50 HB2 ALA 50 3.675 -3.955 -8.638 359 HB3 ALA 50 HB3 ALA 50 4.503 -2.896 -9.782 360 H ARG 51 HN ARG 51 2.665 -0.190 -7.666 361 HA ARG 51 HA ARG 51 4.026 1.652 -9.342 362 HB2 ARG 51 HB2 ARG 51 2.192 3.068 -9.066 363 HB3 ARG 51 HB1 ARG 51 1.455 1.564 -8.567 364 HG2 ARG 51 HG2 ARG 51 0.693 2.943 -6.909 365 HG3 ARG 51 HG1 ARG 51 2.207 2.434 -6.158 366 HD2 ARG 51 HD2 ARG 51 3.289 4.469 -7.141 367 HD3 ARG 51 HD1 ARG 51 1.703 4.999 -7.687 368 HE ARG 51 HE ARG 51 1.707 4.465 -4.897 369 HH11 ARG 51 HH11 ARG 51 2.236 7.030 -7.299 370 HH12 ARG 51 HH12 ARG 51 2.574 8.246 -6.161 371 HH21 ARG 51 HH21 ARG 51 2.296 6.227 -3.273 372 HH22 ARG 51 HH22 ARG 51 2.717 7.737 -3.807 373 H LEU 52 HN LEU 52 4.264 0.821 -6.047 374 HA LEU 52 HA LEU 52 5.782 3.150 -5.272 375 HB2 LEU 52 HB2 LEU 52 5.195 0.570 -3.823 376 HB3 LEU 52 HB1 LEU 52 6.032 1.940 -3.120 377 HG LEU 52 HG LEU 52 3.195 2.027 -4.140 378 HD11 LEU 52 HD11 LEU 52 3.368 0.553 -2.212 379 HD12 LEU 52 HD12 LEU 52 2.545 2.057 -1.789 380 HD13 LEU 52 HD13 LEU 52 4.223 1.809 -1.318 381 HD21 LEU 52 HD21 LEU 52 3.106 4.150 -2.939 382 HD22 LEU 52 HD22 LEU 52 4.338 4.176 -4.199 383 HD23 LEU 52 HD23 LEU 52 4.810 3.988 -2.512 384 H GLU 53 HN GLU 53 6.374 -0.205 -6.194 385 HA GLU 53 HA GLU 53 9.086 -0.456 -5.598 386 HB2 GLU 53 HB2 GLU 53 7.604 -1.541 -7.984 387 HB3 GLU 53 HB1 GLU 53 9.228 -2.008 -7.530 388 HG2 GLU 53 HG2 GLU 53 8.314 -2.882 -5.406 389 HG3 GLU 53 HG1 GLU 53 6.693 -2.513 -6.012 390 H SER 54 HN SER 54 7.561 0.616 -8.611 391 HA SER 54 HA SER 54 9.933 1.223 -9.954 392 HB2 SER 54 HB2 SER 54 8.342 2.497 -11.449 393 HB3 SER 54 HB1 SER 54 7.938 0.801 -11.181 394 HG SER 54 HG SER 54 6.065 1.648 -10.692 395 H ARG 55 HN ARG 55 7.945 2.968 -7.773 396 HA ARG 55 HA ARG 55 8.772 5.601 -8.377 397 HB2 ARG 55 HB2 ARG 55 6.657 5.004 -7.244 398 HB3 ARG 55 HB1 ARG 55 7.572 4.517 -5.833 399 HG2 ARG 55 HG2 ARG 55 6.692 6.642 -5.353 400 HG3 ARG 55 HG1 ARG 55 8.402 6.887 -5.690 401 HD2 ARG 55 HD2 ARG 55 6.136 7.365 -7.616 402 HD3 ARG 55 HD1 ARG 55 6.959 8.617 -6.698 403 HE ARG 55 HE ARG 55 8.115 7.037 -8.894 404 HH11 ARG 55 HH11 ARG 55 8.247 9.906 -6.793 405 HH12 ARG 55 HH12 ARG 55 9.493 10.649 -7.702 406 HH21 ARG 55 HH21 ARG 55 9.791 8.044 -10.066 407 HH22 ARG 55 HH22 ARG 55 10.439 9.550 -9.614 408 H TYR 56 HN TYR 56 9.852 3.290 -5.877 409 HA TYR 56 HA TYR 56 11.953 5.236 -5.169 410 HB2 TYR 56 HB2 TYR 56 10.670 3.114 -3.472 411 HB3 TYR 56 HB1 TYR 56 12.154 3.935 -3.000 412 HD1 TYR 56 HD2 TYR 56 8.580 4.424 -3.762 413 HD2 TYR 56 HD1 TYR 56 12.104 6.133 -2.122 414 HE1 TYR 56 HE2 TYR 56 7.261 6.270 -2.872 415 HE2 TYR 56 HE1 TYR 56 10.785 7.995 -1.213 416 HH TYR 56 HH TYR 56 8.703 9.112 -1.591 417 H GLY 57 HN GLY 57 11.632 2.301 -6.735 418 HA2 GLY 57 HA2 GLY 57 13.333 1.044 -7.661 419 HA3 GLY 57 HA1 GLY 57 14.500 2.006 -6.755 420 H VAL 58 HN VAL 58 11.769 -0.022 -5.891 421 HA VAL 58 HA VAL 58 13.535 -1.584 -4.171 422 HB VAL 58 HB VAL 58 12.179 0.127 -2.881 423 HG11 VAL 58 HG11 VAL 58 10.177 0.210 -4.133 424 HG12 VAL 58 HG12 VAL 58 9.800 -0.248 -2.474 425 HG13 VAL 58 HG13 VAL 58 9.805 -1.469 -3.748 426 HG21 VAL 58 HG21 VAL 58 11.499 -2.724 -2.133 427 HG22 VAL 58 HG22 VAL 58 11.491 -1.328 -1.066 428 HG23 VAL 58 HG23 VAL 58 13.010 -1.894 -1.759 429 H SER 59 HN SER 59 12.186 -3.755 -3.565 430 HA SER 59 HA SER 59 10.586 -4.491 -5.881 431 HB2 SER 59 HB2 SER 59 12.867 -6.093 -4.709 432 HB3 SER 59 HB1 SER 59 11.777 -6.643 -5.986 433 HG SER 59 HG SER 59 12.446 -4.697 -7.116 434 H ILE 60 HN ILE 60 8.803 -5.456 -5.370 435 HA ILE 60 HA ILE 60 8.521 -6.762 -2.756 436 HB ILE 60 HB ILE 60 6.426 -5.041 -4.146 437 HG12 ILE 60 HG12 ILE 60 7.929 -4.554 -1.557 438 HG13 ILE 60 HG11 ILE 60 8.214 -3.710 -3.074 439 HG21 ILE 60 HG21 ILE 60 5.060 -5.429 -2.141 440 HG22 ILE 60 HG22 ILE 60 6.300 -6.515 -1.516 441 HG23 ILE 60 HG23 ILE 60 5.424 -6.937 -2.986 442 HD11 ILE 60 HD11 ILE 60 5.685 -3.622 -1.446 443 HD12 ILE 60 HD12 ILE 60 5.961 -2.774 -2.967 444 HD13 ILE 60 HD13 ILE 60 6.910 -2.356 -1.541 445 HA PRO 61 HA PRO 61 7.617 -10.039 -5.739 446 HB2 PRO 61 HB2 PRO 61 7.222 -11.501 -3.174 447 HB3 PRO 61 HB1 PRO 61 8.200 -11.942 -4.581 448 HG2 PRO 61 HG2 PRO 61 9.371 -11.059 -2.373 449 HG3 PRO 61 HG1 PRO 61 9.952 -10.536 -3.966 450 HD2 PRO 61 HD2 PRO 61 8.232 -9.066 -2.003 451 HD3 PRO 61 HD1 PRO 61 9.586 -8.461 -2.983 452 H ASP 62 HN ASP 62 5.857 -11.375 -6.189 453 HA ASP 62 HA ASP 62 3.395 -10.096 -6.270 454 HB2 ASP 62 HB2 ASP 62 3.930 -13.055 -6.618 455 HB3 ASP 62 HB1 ASP 62 2.456 -12.230 -7.097 456 H ASP 63 HN ASP 63 4.256 -12.936 -4.319 457 HA ASP 63 HA ASP 63 1.748 -13.269 -3.080 458 HB2 ASP 63 HB2 ASP 63 3.431 -15.044 -3.119 459 HB3 ASP 63 HB1 ASP 63 4.484 -14.090 -2.089 460 H VAL 64 HN VAL 64 4.560 -11.483 -2.170 461 HA VAL 64 HA VAL 64 3.992 -10.720 0.473 462 HB VAL 64 HB VAL 64 5.429 -9.189 -1.669 463 HG11 VAL 64 HG11 VAL 64 5.678 -9.055 1.356 464 HG12 VAL 64 HG12 VAL 64 4.982 -7.812 0.314 465 HG13 VAL 64 HG13 VAL 64 6.706 -8.175 0.223 466 HG21 VAL 64 HG21 VAL 64 6.485 -11.223 0.285 467 HG22 VAL 64 HG22 VAL 64 7.481 -10.244 -0.792 468 HG23 VAL 64 HG23 VAL 64 6.341 -11.411 -1.462 469 H ALA 65 HN ALA 65 3.565 -8.895 -2.543 470 HA ALA 65 HA ALA 65 2.368 -6.622 -1.460 471 HB1 ALA 65 HB1 ALA 65 3.300 -6.651 -3.671 472 HB2 ALA 65 HB2 ALA 65 1.594 -6.188 -3.773 473 HB3 ALA 65 HB3 ALA 65 2.108 -7.831 -4.188 474 H GLY 66 HN GLY 66 0.885 -9.632 -2.539 475 HA2 GLY 66 HA2 GLY 66 -1.747 -8.556 -1.807 476 HA3 GLY 66 HA1 GLY 66 -1.460 -10.038 -2.710 477 H ARG 67 HN ARG 67 0.434 -9.439 0.120 478 HA ARG 67 HA ARG 67 -0.938 -11.666 1.464 479 HB2 ARG 67 HB2 ARG 67 1.520 -11.794 1.108 480 HB3 ARG 67 HB1 ARG 67 1.722 -10.347 2.072 481 HG2 ARG 67 HG2 ARG 67 2.317 -12.200 3.415 482 HG3 ARG 67 HG1 ARG 67 0.764 -11.612 4.007 483 HD2 ARG 67 HD2 ARG 67 -0.382 -13.401 2.798 484 HD3 ARG 67 HD1 ARG 67 1.166 -13.972 2.164 485 HE ARG 67 HE ARG 67 0.871 -13.782 5.031 486 HH11 ARG 67 HH11 ARG 67 0.744 -15.942 2.197 487 HH12 ARG 67 HH12 ARG 67 1.063 -17.355 3.070 488 HH21 ARG 67 HH21 ARG 67 1.301 -15.758 6.240 489 HH22 ARG 67 HH22 ARG 67 1.278 -17.266 5.442 490 H VAL 68 HN VAL 68 -0.390 -8.318 1.608 491 HA VAL 68 HA VAL 68 -0.720 -7.953 4.412 492 HB VAL 68 HB VAL 68 -0.722 -5.536 3.879 493 HG11 VAL 68 HG11 VAL 68 1.556 -5.486 2.977 494 HG12 VAL 68 HG12 VAL 68 1.391 -7.173 2.489 495 HG13 VAL 68 HG13 VAL 68 1.357 -6.740 4.199 496 HG21 VAL 68 HG21 VAL 68 -0.513 -6.460 1.004 497 HG22 VAL 68 HG22 VAL 68 -0.328 -4.799 1.568 498 HG23 VAL 68 HG23 VAL 68 -1.888 -5.611 1.712 499 H ASP 69 HN ASP 69 -2.474 -7.563 5.581 500 HA ASP 69 HA ASP 69 -5.051 -7.854 4.252 501 HB2 ASP 69 HB2 ASP 69 -4.528 -9.210 6.262 502 HB3 ASP 69 HB1 ASP 69 -4.394 -7.728 7.198 503 H THR 70 HN THR 70 -3.406 -5.614 6.383 504 HA THR 70 HA THR 70 -5.398 -3.576 5.670 505 HB THR 70 HB THR 70 -4.702 -2.427 7.791 506 HG1 THR 70 HG1 THR 70 -3.189 -4.834 8.116 507 HG21 THR 70 HG21 THR 70 -5.880 -3.963 9.316 508 HG22 THR 70 HG22 THR 70 -5.728 -5.247 8.116 509 HG23 THR 70 HG23 THR 70 -6.705 -3.823 7.762 510 HA PRO 71 HA PRO 71 -2.371 -1.165 3.533 511 HB2 PRO 71 HB2 PRO 71 -3.270 1.182 5.123 512 HB3 PRO 71 HB1 PRO 71 -3.179 0.974 3.368 513 HG2 PRO 71 HG2 PRO 71 -5.521 0.883 4.570 514 HG3 PRO 71 HG1 PRO 71 -5.139 -0.282 3.285 515 HD2 PRO 71 HD2 PRO 71 -5.119 -0.665 6.256 516 HD3 PRO 71 HD1 PRO 71 -5.749 -1.739 4.991 517 H ARG 72 HN ARG 72 -2.377 -1.035 6.999 518 HA ARG 72 HA ARG 72 0.009 0.471 7.280 519 HB2 ARG 72 HB2 ARG 72 0.090 -0.330 9.589 520 HB3 ARG 72 HB1 ARG 72 -1.523 0.213 9.160 521 HG2 ARG 72 HG2 ARG 72 -2.196 -2.133 8.851 522 HG3 ARG 72 HG1 ARG 72 -0.579 -2.636 9.364 523 HD2 ARG 72 HD2 ARG 72 -2.123 -2.764 11.214 524 HD3 ARG 72 HD1 ARG 72 -0.929 -1.498 11.503 525 HE ARG 72 HE ARG 72 -3.614 -0.908 10.460 526 HH11 ARG 72 HH11 ARG 72 -0.917 -0.053 12.592 527 HH12 ARG 72 HH12 ARG 72 -1.814 1.093 13.476 528 HH21 ARG 72 HH21 ARG 72 -4.844 0.611 11.716 529 HH22 ARG 72 HH22 ARG 72 -4.120 1.487 12.961 530 H GLU 73 HN GLU 73 -0.682 -2.906 6.759 531 HA GLU 73 HA GLU 73 1.935 -3.906 7.256 532 HB2 GLU 73 HB2 GLU 73 -0.378 -4.981 5.650 533 HB3 GLU 73 HB1 GLU 73 1.067 -5.890 6.058 534 HG2 GLU 73 HG2 GLU 73 0.512 -5.956 8.332 535 HG3 GLU 73 HG1 GLU 73 -0.706 -4.692 8.153 536 H LEU 74 HN LEU 74 0.144 -2.742 4.488 537 HA LEU 74 HA LEU 74 2.032 -3.423 2.461 538 HB2 LEU 74 HB2 LEU 74 -0.497 -2.673 2.319 539 HB3 LEU 74 HB1 LEU 74 0.161 -1.057 2.290 540 HG LEU 74 HG LEU 74 0.643 -3.213 0.203 541 HD11 LEU 74 HD11 LEU 74 -1.604 -2.397 0.155 542 HD12 LEU 74 HD12 LEU 74 -0.705 -1.824 -1.249 543 HD13 LEU 74 HD13 LEU 74 -1.026 -0.733 0.102 544 HD21 LEU 74 HD21 LEU 74 1.485 -0.306 0.184 545 HD22 LEU 74 HD22 LEU 74 1.690 -1.452 -1.141 546 HD23 LEU 74 HD23 LEU 74 2.570 -1.684 0.370 547 H LEU 75 HN LEU 75 1.453 -0.575 4.457 548 HA LEU 75 HA LEU 75 3.468 1.087 3.435 549 HB2 LEU 75 HB2 LEU 75 1.651 1.857 4.912 550 HB3 LEU 75 HB1 LEU 75 2.331 0.931 6.231 551 HG LEU 75 HG LEU 75 4.323 2.387 6.212 552 HD11 LEU 75 HD11 LEU 75 4.304 3.036 3.871 553 HD12 LEU 75 HD12 LEU 75 4.301 4.457 4.915 554 HD13 LEU 75 HD13 LEU 75 2.813 3.944 4.119 555 HD21 LEU 75 HD21 LEU 75 1.694 3.848 6.424 556 HD22 LEU 75 HD22 LEU 75 3.226 4.369 7.130 557 HD23 LEU 75 HD23 LEU 75 2.455 2.887 7.693 558 H ASP 76 HN ASP 76 3.450 -1.294 6.054 559 HA ASP 76 HA ASP 76 6.113 -0.901 6.867 560 HB2 ASP 76 HB2 ASP 76 4.468 -2.023 8.306 561 HB3 ASP 76 HB1 ASP 76 4.412 -3.385 7.192 562 H LEU 77 HN LEU 77 4.760 -2.804 4.280 563 HA LEU 77 HA LEU 77 7.000 -4.421 3.695 564 HB2 LEU 77 HB2 LEU 77 5.128 -3.126 1.703 565 HB3 LEU 77 HB1 LEU 77 6.223 -4.442 1.356 566 HG LEU 77 HG LEU 77 3.781 -4.540 3.112 567 HD11 LEU 77 HD11 LEU 77 3.293 -4.443 0.744 568 HD12 LEU 77 HD12 LEU 77 2.938 -6.047 1.381 569 HD13 LEU 77 HD13 LEU 77 4.404 -5.779 0.436 570 HD21 LEU 77 HD21 LEU 77 5.545 -5.997 4.000 571 HD22 LEU 77 HD22 LEU 77 5.742 -6.732 2.408 572 HD23 LEU 77 HD23 LEU 77 4.234 -6.946 3.297 573 H ILE 78 HN ILE 78 6.104 -1.218 2.663 574 HA ILE 78 HA ILE 78 8.395 -0.626 1.105 575 HB ILE 78 HB ILE 78 6.426 1.187 2.527 576 HG12 ILE 78 HG12 ILE 78 5.393 -0.231 0.836 577 HG13 ILE 78 HG11 ILE 78 5.409 1.448 0.306 578 HG21 ILE 78 HG21 ILE 78 8.465 1.911 0.426 579 HG22 ILE 78 HG22 ILE 78 8.474 2.419 2.116 580 HG23 ILE 78 HG23 ILE 78 7.197 2.976 1.034 581 HD11 ILE 78 HD11 ILE 78 7.343 0.965 -1.121 582 HD12 ILE 78 HD12 ILE 78 5.957 -0.045 -1.522 583 HD13 ILE 78 HD13 ILE 78 7.301 -0.716 -0.593 584 H ASN 79 HN ASN 79 7.413 0.361 4.359 585 HA ASN 79 HA ASN 79 9.668 1.770 5.189 586 HB2 ASN 79 HB2 ASN 79 7.892 -0.026 6.861 587 HB3 ASN 79 HB1 ASN 79 9.055 1.110 7.513 588 HD21 ASN 79 HD21 ASN 79 8.410 3.226 5.595 589 HD22 ASN 79 HD22 ASN 79 6.851 3.805 6.110 590 H GLY 80 HN GLY 80 8.948 -1.663 5.687 591 HA2 GLY 80 HA2 GLY 80 11.305 -2.349 6.971 592 HA3 GLY 80 HA1 GLY 80 10.214 -3.440 6.136 593 H ALA 81 HN ALA 81 10.427 -2.666 3.530 594 HA ALA 81 HA ALA 81 12.841 -3.917 2.811 595 HB1 ALA 81 HB1 ALA 81 12.234 -3.418 0.516 596 HB2 ALA 81 HB2 ALA 81 11.014 -2.273 1.068 597 HB3 ALA 81 HB3 ALA 81 10.831 -3.994 1.416 598 H LEU 82 HN LEU 82 11.872 -0.516 2.732 599 HA LEU 82 HA LEU 82 14.276 0.346 1.495 600 HB2 LEU 82 HB2 LEU 82 12.170 1.887 2.992 601 HB3 LEU 82 HB1 LEU 82 13.537 2.643 2.191 602 HG LEU 82 HG LEU 82 11.360 1.034 0.843 603 HD11 LEU 82 HD11 LEU 82 11.942 3.988 0.814 604 HD12 LEU 82 HD12 LEU 82 10.579 3.203 1.610 605 HD13 LEU 82 HD13 LEU 82 10.706 3.172 -0.144 606 HD21 LEU 82 HD21 LEU 82 13.511 0.784 -0.281 607 HD22 LEU 82 HD22 LEU 82 13.694 2.538 -0.333 608 HD23 LEU 82 HD23 LEU 82 12.404 1.758 -1.253 609 H ALA 83 HN ALA 83 13.267 0.207 4.874 610 HA ALA 83 HA ALA 83 15.696 1.537 5.718 611 HB1 ALA 83 HB1 ALA 83 13.564 0.223 7.398 612 HB2 ALA 83 HB2 ALA 83 13.585 1.916 6.905 613 HB3 ALA 83 HB3 ALA 83 14.843 1.291 7.975 614 H GLU 84 HN GLU 84 15.286 -1.412 4.600 615 HA GLU 84 HA GLU 84 17.231 -2.599 6.477 616 HB2 GLU 84 HB2 GLU 84 15.000 -3.611 6.644 617 HB3 GLU 84 HB1 GLU 84 15.071 -4.012 4.939 618 HG2 GLU 84 HG2 GLU 84 17.041 -5.435 5.443 619 HG3 GLU 84 HG1 GLU 84 16.756 -5.119 7.157 620 H ALA 85 HN ALA 85 15.959 -2.930 3.125 621 HA ALA 85 HA ALA 85 18.452 -4.230 2.393 622 HB1 ALA 85 HB1 ALA 85 16.333 -5.278 1.772 623 HB2 ALA 85 HB2 ALA 85 17.327 -4.894 0.364 624 HB3 ALA 85 HB3 ALA 85 15.943 -3.880 0.770 625 H ALA 86 HN ALA 86 17.226 -1.086 2.224 626 HA ALA 86 HA ALA 86 18.750 -0.528 -0.204 627 HB1 ALA 86 HB1 ALA 86 16.813 1.244 1.296 628 HB2 ALA 86 HB2 ALA 86 16.438 0.308 -0.152 629 HB3 ALA 86 HB3 ALA 86 17.598 1.634 -0.234 630 H282 PNS 87 H28A PNS 87 -8.151 -13.658 -2.917 631 H281 PNS 87 H28B PNS 87 -8.912 -12.192 -3.536 632 H303 PNS 87 H30A PNS 87 -9.076 -14.555 -6.319 633 H302 PNS 87 H30B PNS 87 -9.999 -13.526 -5.223 634 H301 PNS 87 H30C PNS 87 -9.198 -14.975 -4.611 635 H313 PNS 87 H31A PNS 87 -6.954 -11.549 -5.751 636 H312 PNS 87 H31B PNS 87 -8.708 -11.575 -5.932 637 H311 PNS 87 H31C PNS 87 -7.694 -12.537 -7.010 638 H32 PNS 87 H32A PNS 87 -6.514 -14.962 -4.341 639 H33 PNS 87 H33A PNS 87 -5.094 -13.458 -6.015 640 H36 PNS 87 H36A PNS 87 -7.673 -16.368 -5.899 641 H372 PNS 87 H37A PNS 87 -7.904 -16.527 -8.513 642 H371 PNS 87 H37B PNS 87 -6.160 -16.710 -8.358 643 H382 PNS 87 H38A PNS 87 -6.496 -18.635 -6.884 644 H381 PNS 87 H38B PNS 87 -8.245 -18.486 -7.097 645 H41 PNS 87 H41A PNS 87 -7.457 -20.792 -7.641 646 H422 PNS 87 H42A PNS 87 -7.749 -21.123 -10.481 647 H421 PNS 87 H42B PNS 87 -6.225 -21.721 -9.822 648 H431 PNS 87 H43A PNS 87 -8.978 -22.523 -8.924 649 H432 PNS 87 H43B PNS 87 -7.459 -23.176 -8.304 650 H44 PNS 87 H1 PNS 87 -8.650 -25.054 -9.894 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 17.147 4.126 4.034 2 H2 MET 1 HT2 MET 1 18.703 3.555 4.331 3 H3 MET 1 HT3 MET 1 17.987 3.316 2.793 4 HA MET 1 HA MET 1 18.654 5.908 4.018 5 HB2 MET 1 HB2 MET 1 19.947 4.408 1.736 6 HB3 MET 1 HB1 MET 1 20.284 6.085 2.130 7 HG2 MET 1 HG2 MET 1 21.128 5.407 4.311 8 HG3 MET 1 HG1 MET 1 20.770 3.727 3.927 9 HE1 MET 1 HE1 MET 1 23.943 6.247 1.710 10 HE2 MET 1 HE2 MET 1 22.981 6.854 3.058 11 HE3 MET 1 HE3 MET 1 22.210 6.495 1.513 12 H ALA 2 HN ALA 2 16.311 4.401 2.275 13 HA ALA 2 HA ALA 2 16.039 6.533 0.333 14 HB1 ALA 2 HB1 ALA 2 14.223 5.148 -0.567 15 HB2 ALA 2 HB2 ALA 2 14.457 3.991 0.741 16 HB3 ALA 2 HB3 ALA 2 15.727 4.234 -0.459 17 H THR 3 HN THR 3 14.065 7.664 0.228 18 HA THR 3 HA THR 3 13.227 8.638 2.757 19 HB THR 3 HB THR 3 12.146 9.097 0.038 20 HG1 THR 3 HG1 THR 3 14.516 9.725 1.175 21 HG21 THR 3 HG21 THR 3 11.422 11.295 0.956 22 HG22 THR 3 HG22 THR 3 12.004 10.791 2.542 23 HG23 THR 3 HG23 THR 3 10.657 9.939 1.784 24 H LEU 4 HN LEU 4 11.946 7.405 3.971 25 HA LEU 4 HA LEU 4 10.107 5.496 2.989 26 HB2 LEU 4 HB2 LEU 4 10.042 6.840 5.681 27 HB3 LEU 4 HB1 LEU 4 9.315 5.315 5.210 28 HG LEU 4 HG LEU 4 12.264 5.886 5.481 29 HD11 LEU 4 HD11 LEU 4 12.160 4.309 7.339 30 HD12 LEU 4 HD12 LEU 4 10.418 4.172 7.122 31 HD13 LEU 4 HD13 LEU 4 11.124 5.712 7.609 32 HD21 LEU 4 HD21 LEU 4 10.853 3.326 4.755 33 HD22 LEU 4 HD22 LEU 4 12.585 3.510 5.046 34 HD23 LEU 4 HD23 LEU 4 11.830 4.316 3.671 35 H LEU 5 HN LEU 5 8.227 5.865 2.096 36 HA LEU 5 HA LEU 5 7.064 8.450 2.139 37 HB2 LEU 5 HB2 LEU 5 5.246 7.453 0.773 38 HB3 LEU 5 HB1 LEU 5 6.841 7.232 0.104 39 HG LEU 5 HG LEU 5 6.717 4.853 1.082 40 HD11 LEU 5 HD11 LEU 5 4.794 5.164 2.540 41 HD12 LEU 5 HD12 LEU 5 4.489 3.915 1.333 42 HD13 LEU 5 HD13 LEU 5 3.782 5.521 1.140 43 HD21 LEU 5 HD21 LEU 5 5.459 4.067 -0.877 44 HD22 LEU 5 HD22 LEU 5 6.638 5.329 -1.262 45 HD23 LEU 5 HD23 LEU 5 4.927 5.733 -1.146 46 H THR 6 HN THR 6 5.074 9.059 2.937 47 HA THR 6 HA THR 6 4.586 7.801 5.486 48 HB THR 6 HB THR 6 3.210 9.898 5.885 49 HG1 THR 6 HG1 THR 6 4.604 10.773 3.541 50 HG21 THR 6 HG21 THR 6 6.144 10.197 5.195 51 HG22 THR 6 HG22 THR 6 5.506 9.609 6.728 52 HG23 THR 6 HG23 THR 6 5.219 11.280 6.237 53 H THR 7 HN THR 7 2.090 8.432 6.136 54 HA THR 7 HA THR 7 0.551 6.404 4.976 55 HB THR 7 HB THR 7 -0.306 8.731 6.714 56 HG1 THR 7 HG1 THR 7 0.033 6.563 8.177 57 HG21 THR 7 HG21 THR 7 -2.058 7.181 7.480 58 HG22 THR 7 HG22 THR 7 -1.470 5.956 6.358 59 HG23 THR 7 HG23 THR 7 -2.175 7.451 5.741 60 H ASP 8 HN ASP 8 0.614 9.914 4.639 61 HA ASP 8 HA ASP 8 -1.657 10.197 3.009 62 HB2 ASP 8 HB2 ASP 8 0.741 11.946 3.427 63 HB3 ASP 8 HB1 ASP 8 -0.456 12.350 2.206 64 H ASP 9 HN ASP 9 1.695 9.576 2.160 65 HA ASP 9 HA ASP 9 1.154 9.820 -0.637 66 HB2 ASP 9 HB2 ASP 9 3.501 10.046 0.205 67 HB3 ASP 9 HB1 ASP 9 3.468 8.334 0.621 68 H LEU 10 HN LEU 10 1.409 7.118 1.606 69 HA LEU 10 HA LEU 10 0.950 4.986 -0.115 70 HB2 LEU 10 HB2 LEU 10 1.434 4.705 2.273 71 HB3 LEU 10 HB1 LEU 10 -0.136 5.377 2.677 72 HG LEU 10 HG LEU 10 -1.170 3.452 1.436 73 HD11 LEU 10 HD11 LEU 10 1.629 2.368 1.521 74 HD12 LEU 10 HD12 LEU 10 0.711 2.809 0.081 75 HD13 LEU 10 HD13 LEU 10 0.183 1.457 1.083 76 HD21 LEU 10 HD21 LEU 10 -0.831 1.859 3.279 77 HD22 LEU 10 HD22 LEU 10 -1.099 3.504 3.853 78 HD23 LEU 10 HD23 LEU 10 0.530 2.832 3.840 79 H ARG 11 HN ARG 11 -1.349 7.048 1.549 80 HA ARG 11 HA ARG 11 -3.765 6.044 0.698 81 HB2 ARG 11 HB2 ARG 11 -3.612 7.768 2.370 82 HB3 ARG 11 HB1 ARG 11 -2.888 8.883 1.229 83 HG2 ARG 11 HG2 ARG 11 -4.999 9.018 0.019 84 HG3 ARG 11 HG1 ARG 11 -5.721 7.864 1.147 85 HD2 ARG 11 HD2 ARG 11 -4.510 10.503 1.975 86 HD3 ARG 11 HD1 ARG 11 -6.226 10.267 1.653 87 HE ARG 11 HE ARG 11 -6.071 8.509 3.433 88 HH11 ARG 11 HH11 ARG 11 -4.040 11.447 3.517 89 HH12 ARG 11 HH12 ARG 11 -3.941 11.509 5.201 90 HH21 ARG 11 HH21 ARG 11 -5.939 8.623 5.831 91 HH22 ARG 11 HH22 ARG 11 -5.046 9.878 6.532 92 H ARG 12 HN ARG 12 -1.777 8.518 -0.922 93 HA ARG 12 HA ARG 12 -3.510 8.901 -3.131 94 HB2 ARG 12 HB2 ARG 12 -0.518 9.333 -3.041 95 HB3 ARG 12 HB1 ARG 12 -1.616 9.986 -4.243 96 HG2 ARG 12 HG2 ARG 12 -2.740 11.262 -2.432 97 HG3 ARG 12 HG1 ARG 12 -1.498 10.682 -1.322 98 HD2 ARG 12 HD2 ARG 12 -1.069 12.360 -3.792 99 HD3 ARG 12 HD1 ARG 12 -0.938 12.903 -2.123 100 HE ARG 12 HE ARG 12 0.844 10.811 -2.413 101 HH11 ARG 12 HH11 ARG 12 0.449 14.067 -3.841 102 HH12 ARG 12 HH12 ARG 12 2.112 14.253 -4.129 103 HH21 ARG 12 HH21 ARG 12 3.105 11.106 -2.872 104 HH22 ARG 12 HH22 ARG 12 3.646 12.530 -3.625 105 H ALA 13 HN ALA 13 -0.661 6.859 -2.701 106 HA ALA 13 HA ALA 13 -0.601 5.845 -5.359 107 HB1 ALA 13 HB1 ALA 13 0.591 4.673 -2.846 108 HB2 ALA 13 HB2 ALA 13 1.362 5.876 -3.879 109 HB3 ALA 13 HB3 ALA 13 1.030 4.261 -4.505 110 H LEU 14 HN LEU 14 -2.345 4.943 -2.533 111 HA LEU 14 HA LEU 14 -3.019 2.331 -3.471 112 HB2 LEU 14 HB2 LEU 14 -2.850 2.993 -1.098 113 HB3 LEU 14 HB1 LEU 14 -4.296 3.967 -1.271 114 HG LEU 14 HG LEU 14 -5.559 1.872 -1.803 115 HD11 LEU 14 HD11 LEU 14 -2.988 0.532 -0.974 116 HD12 LEU 14 HD12 LEU 14 -3.687 0.523 -2.593 117 HD13 LEU 14 HD13 LEU 14 -4.531 -0.273 -1.263 118 HD21 LEU 14 HD21 LEU 14 -5.605 1.046 0.501 119 HD22 LEU 14 HD22 LEU 14 -5.577 2.809 0.444 120 HD23 LEU 14 HD23 LEU 14 -4.110 1.918 0.842 121 H VAL 15 HN VAL 15 -4.613 5.514 -3.367 122 HA VAL 15 HA VAL 15 -7.110 4.780 -4.384 123 HB VAL 15 HB VAL 15 -5.616 7.416 -4.734 124 HG11 VAL 15 HG11 VAL 15 -7.365 7.222 -6.440 125 HG12 VAL 15 HG12 VAL 15 -7.792 8.434 -5.231 126 HG13 VAL 15 HG13 VAL 15 -8.551 6.847 -5.189 127 HG21 VAL 15 HG21 VAL 15 -7.061 8.204 -2.927 128 HG22 VAL 15 HG22 VAL 15 -6.066 6.841 -2.415 129 HG23 VAL 15 HG23 VAL 15 -7.774 6.596 -2.795 130 H GLU 16 HN GLU 16 -4.106 5.394 -6.020 131 HA GLU 16 HA GLU 16 -4.960 5.528 -8.683 132 HB2 GLU 16 HB2 GLU 16 -2.403 4.325 -7.617 133 HB3 GLU 16 HB1 GLU 16 -2.666 4.834 -9.267 134 HG2 GLU 16 HG2 GLU 16 -2.593 6.592 -6.838 135 HG3 GLU 16 HG1 GLU 16 -1.340 6.438 -8.068 136 H SER 17 HN SER 17 -4.411 2.757 -6.565 137 HA SER 17 HA SER 17 -4.524 0.761 -8.599 138 HB2 SER 17 HB2 SER 17 -4.895 0.516 -5.619 139 HB3 SER 17 HB1 SER 17 -4.421 -0.757 -6.749 140 HG SER 17 HG SER 17 -2.700 0.200 -5.563 141 H ALA 18 HN ALA 18 -6.779 2.590 -6.860 142 HA ALA 18 HA ALA 18 -8.994 0.782 -7.538 143 HB1 ALA 18 HB1 ALA 18 -10.249 2.044 -5.830 144 HB2 ALA 18 HB2 ALA 18 -8.812 3.017 -5.508 145 HB3 ALA 18 HB3 ALA 18 -8.806 1.292 -5.148 146 H GLY 19 HN GLY 19 -7.484 2.588 -9.261 147 HA2 GLY 19 HA2 GLY 19 -8.861 5.026 -9.720 148 HA3 GLY 19 HA1 GLY 19 -7.696 4.268 -10.792 149 H GLU 20 HN GLU 20 -10.950 3.747 -9.640 150 HA GLU 20 HA GLU 20 -12.088 4.076 -12.147 151 HB2 GLU 20 HB2 GLU 20 -13.155 1.750 -12.284 152 HB3 GLU 20 HB1 GLU 20 -11.475 1.870 -12.734 153 HG2 GLU 20 HG2 GLU 20 -11.488 -0.090 -11.537 154 HG3 GLU 20 HG1 GLU 20 -11.056 1.058 -10.279 155 H THR 21 HN THR 21 -13.583 5.303 -11.710 156 HA THR 21 HA THR 21 -15.303 6.400 -10.759 157 HB THR 21 HB THR 21 -15.968 3.830 -9.412 158 HG1 THR 21 HG1 THR 21 -16.452 3.074 -11.329 159 HG21 THR 21 HG21 THR 21 -17.730 6.126 -10.313 160 HG22 THR 21 HG22 THR 21 -17.313 5.720 -8.648 161 HG23 THR 21 HG23 THR 21 -18.329 4.630 -9.592 162 H ASP 22 HN ASP 22 -13.295 7.098 -9.619 163 HA ASP 22 HA ASP 22 -12.529 8.362 -7.875 164 HB2 ASP 22 HB2 ASP 22 -14.923 8.766 -7.304 165 HB3 ASP 22 HB1 ASP 22 -14.883 7.350 -6.261 166 H GLY 23 HN GLY 23 -13.791 5.377 -6.519 167 HA2 GLY 23 HA2 GLY 23 -12.226 3.640 -5.903 168 HA3 GLY 23 HA1 GLY 23 -11.167 4.922 -5.307 169 H THR 24 HN THR 24 -11.410 5.653 -3.369 170 HA THR 24 HA THR 24 -13.746 5.004 -1.799 171 HB THR 24 HB THR 24 -12.002 4.369 0.066 172 HG1 THR 24 HG1 THR 24 -10.586 3.323 -2.116 173 HG21 THR 24 HG21 THR 24 -12.158 1.990 -0.555 174 HG22 THR 24 HG22 THR 24 -12.659 2.448 -2.183 175 HG23 THR 24 HG23 THR 24 -13.698 2.811 -0.804 176 H ASP 25 HN ASP 25 -13.468 6.192 0.446 177 HA ASP 25 HA ASP 25 -12.611 8.843 -0.215 178 HB2 ASP 25 HB2 ASP 25 -13.483 9.561 1.944 179 HB3 ASP 25 HB1 ASP 25 -14.639 8.461 1.229 180 H LEU 26 HN LEU 26 -11.695 6.522 2.264 181 HA LEU 26 HA LEU 26 -9.689 5.790 3.028 182 HB2 LEU 26 HB2 LEU 26 -9.461 5.688 0.468 183 HB3 LEU 26 HB1 LEU 26 -8.436 7.091 0.631 184 HG LEU 26 HG LEU 26 -6.972 5.702 2.151 185 HD11 LEU 26 HD11 LEU 26 -7.199 3.277 1.973 186 HD12 LEU 26 HD12 LEU 26 -8.691 3.482 1.053 187 HD13 LEU 26 HD13 LEU 26 -8.612 4.005 2.736 188 HD21 LEU 26 HD21 LEU 26 -5.911 4.530 0.285 189 HD22 LEU 26 HD22 LEU 26 -6.396 6.160 -0.176 190 HD23 LEU 26 HD23 LEU 26 -7.356 4.773 -0.692 191 H SER 27 HN SER 27 -10.495 8.828 3.472 192 HA SER 27 HA SER 27 -7.840 9.913 3.837 193 HB2 SER 27 HB2 SER 27 -9.086 12.083 4.263 194 HB3 SER 27 HB1 SER 27 -9.207 11.405 2.640 195 HG SER 27 HG SER 27 -11.174 12.130 3.486 196 H GLY 28 HN GLY 28 -9.733 8.156 5.661 197 HA2 GLY 28 HA2 GLY 28 -9.074 9.588 8.148 198 HA3 GLY 28 HA1 GLY 28 -10.191 8.231 8.025 199 H ASP 29 HN ASP 29 -9.233 6.910 9.514 200 HA ASP 29 HA ASP 29 -6.457 6.161 9.016 201 HB2 ASP 29 HB2 ASP 29 -6.904 6.545 11.381 202 HB3 ASP 29 HB1 ASP 29 -8.271 5.432 11.337 203 H PHE 30 HN PHE 30 -6.483 4.949 7.356 204 HA PHE 30 HA PHE 30 -8.491 2.845 7.122 205 HB2 PHE 30 HB2 PHE 30 -7.719 2.668 4.784 206 HB3 PHE 30 HB1 PHE 30 -8.262 4.288 5.189 207 HD1 PHE 30 HD1 PHE 30 -6.596 6.114 5.461 208 HD2 PHE 30 HD2 PHE 30 -5.463 2.239 4.119 209 HE1 PHE 30 HE1 PHE 30 -4.483 7.031 4.604 210 HE2 PHE 30 HE2 PHE 30 -3.345 3.151 3.266 211 HZ PHE 30 HZ PHE 30 -2.853 5.548 3.506 212 H LEU 31 HN LEU 31 -5.631 3.134 8.543 213 HA LEU 31 HA LEU 31 -4.147 1.034 7.319 214 HB2 LEU 31 HB2 LEU 31 -3.731 2.462 9.942 215 HB3 LEU 31 HB1 LEU 31 -2.650 1.237 9.325 216 HG LEU 31 HG LEU 31 -1.672 3.359 8.918 217 HD11 LEU 31 HD11 LEU 31 -1.312 1.766 7.173 218 HD12 LEU 31 HD12 LEU 31 -1.409 3.392 6.500 219 HD13 LEU 31 HD13 LEU 31 -2.779 2.293 6.347 220 HD21 LEU 31 HD21 LEU 31 -3.637 4.779 9.053 221 HD22 LEU 31 HD22 LEU 31 -4.211 4.165 7.502 222 HD23 LEU 31 HD23 LEU 31 -2.729 5.122 7.578 223 H ASP 32 HN ASP 32 -6.462 1.202 9.858 224 HA ASP 32 HA ASP 32 -5.822 -1.517 10.730 225 HB2 ASP 32 HB2 ASP 32 -6.273 0.324 12.382 226 HB3 ASP 32 HB1 ASP 32 -7.937 0.340 11.814 227 H LEU 33 HN LEU 33 -7.779 0.037 8.546 228 HA LEU 33 HA LEU 33 -10.078 -1.680 8.691 229 HB2 LEU 33 HB2 LEU 33 -9.189 0.492 6.852 230 HB3 LEU 33 HB1 LEU 33 -10.442 -0.610 6.338 231 HG LEU 33 HG LEU 33 -11.883 0.124 8.153 232 HD11 LEU 33 HD11 LEU 33 -11.272 1.976 9.603 233 HD12 LEU 33 HD12 LEU 33 -9.649 1.999 8.914 234 HD13 LEU 33 HD13 LEU 33 -10.187 0.608 9.853 235 HD21 LEU 33 HD21 LEU 33 -11.936 1.297 6.057 236 HD22 LEU 33 HD22 LEU 33 -10.650 2.374 6.600 237 HD23 LEU 33 HD23 LEU 33 -12.227 2.410 7.392 238 H ARG 34 HN ARG 34 -10.498 -3.399 7.500 239 HA ARG 34 HA ARG 34 -8.257 -4.544 6.119 240 HB2 ARG 34 HB2 ARG 34 -11.024 -5.614 6.614 241 HB3 ARG 34 HB1 ARG 34 -9.701 -6.512 5.874 242 HG2 ARG 34 HG2 ARG 34 -8.391 -6.092 7.890 243 HG3 ARG 34 HG1 ARG 34 -9.839 -5.456 8.691 244 HD2 ARG 34 HD2 ARG 34 -9.560 -7.771 9.302 245 HD3 ARG 34 HD1 ARG 34 -10.929 -7.660 8.188 246 HE ARG 34 HE ARG 34 -9.505 -8.398 6.444 247 HH11 ARG 34 HH11 ARG 34 -8.650 -9.304 9.750 248 HH12 ARG 34 HH12 ARG 34 -7.354 -10.320 9.294 249 HH21 ARG 34 HH21 ARG 34 -7.678 -9.749 5.812 250 HH22 ARG 34 HH22 ARG 34 -6.724 -10.523 7.004 251 H PHE 35 HN PHE 35 -8.492 -5.448 3.998 252 HA PHE 35 HA PHE 35 -9.315 -3.378 2.263 253 HB2 PHE 35 HB2 PHE 35 -8.235 -6.121 1.656 254 HB3 PHE 35 HB1 PHE 35 -8.504 -4.856 0.455 255 HD1 PHE 35 HD2 PHE 35 -7.391 -2.567 0.987 256 HD2 PHE 35 HD1 PHE 35 -6.168 -6.273 2.655 257 HE1 PHE 35 HE2 PHE 35 -5.187 -1.610 1.480 258 HE2 PHE 35 HE1 PHE 35 -3.965 -5.319 3.162 259 HZ PHE 35 HZ PHE 35 -3.469 -2.991 2.570 260 H GLU 36 HN GLU 36 -10.825 -6.173 3.421 261 HA GLU 36 HA GLU 36 -12.679 -6.594 1.353 262 HB2 GLU 36 HB2 GLU 36 -13.231 -7.055 4.292 263 HB3 GLU 36 HB1 GLU 36 -14.041 -7.814 2.935 264 HG2 GLU 36 HG2 GLU 36 -12.642 -9.485 3.652 265 HG3 GLU 36 HG1 GLU 36 -11.675 -8.742 2.381 266 H ASP 37 HN ASP 37 -12.633 -4.280 3.985 267 HA ASP 37 HA ASP 37 -15.340 -3.414 3.652 268 HB2 ASP 37 HB2 ASP 37 -14.282 -2.964 5.771 269 HB3 ASP 37 HB1 ASP 37 -12.994 -2.055 4.984 270 H ILE 38 HN ILE 38 -12.248 -2.228 2.578 271 HA ILE 38 HA ILE 38 -13.548 -0.134 1.109 272 HB ILE 38 HB ILE 38 -11.191 0.523 0.432 273 HG12 ILE 38 HG12 ILE 38 -10.494 -1.588 2.501 274 HG13 ILE 38 HG11 ILE 38 -10.093 -1.650 0.791 275 HG21 ILE 38 HG21 ILE 38 -12.421 1.639 2.199 276 HG22 ILE 38 HG22 ILE 38 -10.717 1.500 2.646 277 HG23 ILE 38 HG23 ILE 38 -11.912 0.411 3.355 278 HD11 ILE 38 HD11 ILE 38 -9.038 0.340 2.792 279 HD12 ILE 38 HD12 ILE 38 -8.642 0.306 1.074 280 HD13 ILE 38 HD13 ILE 38 -8.157 -1.031 2.116 281 H GLY 39 HN GLY 39 -13.551 -3.107 0.451 282 HA2 GLY 39 HA2 GLY 39 -13.855 -4.398 -1.427 283 HA3 GLY 39 HA1 GLY 39 -14.251 -2.888 -2.226 284 H TYR 40 HN TYR 40 -11.138 -3.980 -0.891 285 HA TYR 40 HA TYR 40 -9.967 -3.288 -3.441 286 HB2 TYR 40 HB2 TYR 40 -9.080 -3.298 -0.668 287 HB3 TYR 40 HB1 TYR 40 -7.894 -3.860 -1.833 288 HD1 TYR 40 HD1 TYR 40 -10.208 -1.037 -1.128 289 HD2 TYR 40 HD2 TYR 40 -6.639 -2.310 -3.025 290 HE1 TYR 40 HE1 TYR 40 -9.671 1.297 -1.645 291 HE2 TYR 40 HE2 TYR 40 -6.063 -0.015 -3.551 292 HH TYR 40 HH TYR 40 -7.684 2.649 -2.120 293 H ASP 41 HN ASP 41 -9.073 -4.623 -4.716 294 HA ASP 41 HA ASP 41 -9.114 -7.485 -4.232 295 HB2 ASP 41 HB2 ASP 41 -8.112 -5.847 -6.574 296 HB3 ASP 41 HB1 ASP 41 -8.089 -7.598 -6.508 297 H SER 42 HN SER 42 -7.244 -8.768 -4.058 298 HA SER 42 HA SER 42 -4.983 -7.767 -2.816 299 HB2 SER 42 HB2 SER 42 -4.961 -10.217 -4.531 300 HB3 SER 42 HB1 SER 42 -4.274 -9.974 -2.915 301 H LEU 43 HN LEU 43 -5.791 -8.325 -6.167 302 HA LEU 43 HA LEU 43 -3.265 -7.997 -7.360 303 HB2 LEU 43 HB2 LEU 43 -6.044 -7.604 -8.478 304 HB3 LEU 43 HB1 LEU 43 -4.602 -7.438 -9.451 305 HG LEU 43 HG LEU 43 -5.542 -9.561 -9.900 306 HD11 LEU 43 HD11 LEU 43 -3.160 -9.903 -8.119 307 HD12 LEU 43 HD12 LEU 43 -3.160 -9.524 -9.840 308 HD13 LEU 43 HD13 LEU 43 -3.754 -11.090 -9.282 309 HD21 LEU 43 HD21 LEU 43 -5.491 -10.126 -6.931 310 HD22 LEU 43 HD22 LEU 43 -5.916 -11.293 -8.184 311 HD23 LEU 43 HD23 LEU 43 -6.933 -9.876 -7.918 312 H ALA 44 HN ALA 44 -5.771 -5.719 -6.459 313 HA ALA 44 HA ALA 44 -4.620 -3.452 -7.700 314 HB1 ALA 44 HB1 ALA 44 -6.981 -3.509 -7.014 315 HB2 ALA 44 HB2 ALA 44 -6.132 -2.157 -6.268 316 HB3 ALA 44 HB3 ALA 44 -6.485 -3.604 -5.325 317 H LEU 45 HN LEU 45 -4.371 -4.938 -4.538 318 HA LEU 45 HA LEU 45 -2.832 -2.983 -3.255 319 HB2 LEU 45 HB2 LEU 45 -2.675 -5.961 -2.838 320 HB3 LEU 45 HB1 LEU 45 -2.196 -4.728 -1.694 321 HG LEU 45 HG LEU 45 -5.002 -5.262 -2.628 322 HD11 LEU 45 HD11 LEU 45 -4.149 -6.988 -1.151 323 HD12 LEU 45 HD12 LEU 45 -5.362 -6.000 -0.335 324 HD13 LEU 45 HD13 LEU 45 -3.651 -5.761 0.014 325 HD21 LEU 45 HD21 LEU 45 -4.623 -2.914 -2.199 326 HD22 LEU 45 HD22 LEU 45 -3.908 -3.307 -0.633 327 HD23 LEU 45 HD23 LEU 45 -5.623 -3.624 -0.927 328 H MET 46 HN MET 46 -2.037 -5.770 -5.190 329 HA MET 46 HA MET 46 0.758 -5.681 -5.051 330 HB2 MET 46 HB2 MET 46 -1.138 -6.816 -7.087 331 HB3 MET 46 HB1 MET 46 0.606 -6.929 -7.276 332 HG2 MET 46 HG2 MET 46 0.834 -8.279 -5.358 333 HG3 MET 46 HG1 MET 46 -0.787 -7.861 -4.823 334 HE1 MET 46 HE1 MET 46 1.131 -9.591 -7.863 335 HE2 MET 46 HE2 MET 46 -0.138 -8.609 -8.597 336 HE3 MET 46 HE3 MET 46 -0.229 -10.369 -8.675 337 H GLU 47 HN GLU 47 -1.528 -4.046 -7.178 338 HA GLU 47 HA GLU 47 0.458 -2.942 -8.869 339 HB2 GLU 47 HB2 GLU 47 -1.947 -3.131 -9.441 340 HB3 GLU 47 HB1 GLU 47 -2.301 -1.854 -8.287 341 HG2 GLU 47 HG2 GLU 47 -0.798 -0.323 -9.533 342 HG3 GLU 47 HG1 GLU 47 -0.583 -1.575 -10.748 343 H THR 48 HN THR 48 -1.177 -1.815 -5.952 344 HA THR 48 HA THR 48 -0.176 0.728 -5.614 345 HB THR 48 HB THR 48 -0.411 -1.391 -3.454 346 HG1 THR 48 HG1 THR 48 -2.570 -0.811 -3.354 347 HG21 THR 48 HG21 THR 48 -0.729 1.618 -3.349 348 HG22 THR 48 HG22 THR 48 0.643 0.700 -2.718 349 HG23 THR 48 HG23 THR 48 -0.958 0.500 -2.002 350 H ALA 49 HN ALA 49 1.240 -2.306 -4.375 351 HA ALA 49 HA ALA 49 3.653 -1.156 -3.514 352 HB1 ALA 49 HB1 ALA 49 4.463 -3.445 -3.290 353 HB2 ALA 49 HB2 ALA 49 3.098 -4.035 -4.241 354 HB3 ALA 49 HB3 ALA 49 2.824 -3.292 -2.661 355 H ALA 50 HN ALA 50 2.708 -2.624 -6.582 356 HA ALA 50 HA ALA 50 5.218 -2.866 -7.758 357 HB1 ALA 50 HB1 ALA 50 4.071 -2.968 -9.891 358 HB2 ALA 50 HB2 ALA 50 2.612 -2.293 -9.160 359 HB3 ALA 50 HB3 ALA 50 3.183 -3.888 -8.674 360 H ARG 51 HN ARG 51 2.991 -0.101 -7.780 361 HA ARG 51 HA ARG 51 4.620 1.432 -9.546 362 HB2 ARG 51 HB2 ARG 51 3.130 3.230 -9.218 363 HB3 ARG 51 HB1 ARG 51 2.120 1.809 -9.021 364 HG2 ARG 51 HG2 ARG 51 2.305 2.073 -6.563 365 HG3 ARG 51 HG1 ARG 51 3.233 3.548 -6.824 366 HD2 ARG 51 HD2 ARG 51 1.067 4.326 -6.469 367 HD3 ARG 51 HD1 ARG 51 1.215 4.316 -8.222 368 HE ARG 51 HE ARG 51 -0.343 2.484 -6.565 369 HH11 ARG 51 HH11 ARG 51 0.468 3.638 -9.827 370 HH12 ARG 51 HH12 ARG 51 -0.860 2.816 -10.547 371 HH21 ARG 51 HH21 ARG 51 -2.115 1.382 -7.613 372 HH22 ARG 51 HH22 ARG 51 -2.296 1.440 -9.280 373 H LEU 52 HN LEU 52 4.706 0.795 -6.202 374 HA LEU 52 HA LEU 52 6.338 3.072 -5.562 375 HB2 LEU 52 HB2 LEU 52 5.648 0.644 -3.903 376 HB3 LEU 52 HB1 LEU 52 6.445 2.091 -3.308 377 HG LEU 52 HG LEU 52 3.624 1.929 -4.368 378 HD11 LEU 52 HD11 LEU 52 4.641 2.356 -1.574 379 HD12 LEU 52 HD12 LEU 52 3.830 0.914 -2.187 380 HD13 LEU 52 HD13 LEU 52 2.956 2.441 -2.084 381 HD21 LEU 52 HD21 LEU 52 3.417 4.258 -3.647 382 HD22 LEU 52 HD22 LEU 52 4.639 4.073 -4.908 383 HD23 LEU 52 HD23 LEU 52 5.131 4.280 -3.229 384 H GLU 53 HN GLU 53 6.722 -0.331 -6.268 385 HA GLU 53 HA GLU 53 9.418 -0.738 -5.737 386 HB2 GLU 53 HB2 GLU 53 7.815 -1.741 -8.099 387 HB3 GLU 53 HB1 GLU 53 9.410 -2.319 -7.667 388 HG2 GLU 53 HG2 GLU 53 8.496 -3.158 -5.553 389 HG3 GLU 53 HG1 GLU 53 6.891 -2.615 -6.059 390 H SER 54 HN SER 54 7.894 0.416 -8.716 391 HA SER 54 HA SER 54 10.320 0.903 -10.040 392 HB2 SER 54 HB2 SER 54 8.697 2.092 -11.633 393 HB3 SER 54 HB1 SER 54 8.503 0.356 -11.377 394 HG SER 54 HG SER 54 6.936 2.503 -10.481 395 H ARG 55 HN ARG 55 8.386 2.813 -7.887 396 HA ARG 55 HA ARG 55 9.387 5.329 -8.850 397 HB2 ARG 55 HB2 ARG 55 7.127 4.858 -7.600 398 HB3 ARG 55 HB1 ARG 55 8.105 5.010 -6.150 399 HG2 ARG 55 HG2 ARG 55 8.786 7.228 -6.796 400 HG3 ARG 55 HG1 ARG 55 7.833 7.127 -8.284 401 HD2 ARG 55 HD2 ARG 55 6.448 8.330 -6.850 402 HD3 ARG 55 HD1 ARG 55 5.850 6.684 -6.651 403 HE ARG 55 HE ARG 55 7.897 7.541 -4.807 404 HH11 ARG 55 HH11 ARG 55 4.330 7.114 -5.262 405 HH12 ARG 55 HH12 ARG 55 4.073 7.308 -3.575 406 HH21 ARG 55 HH21 ARG 55 7.279 7.793 -2.464 407 HH22 ARG 55 HH22 ARG 55 5.603 7.666 -2.124 408 H TYR 56 HN TYR 56 10.394 3.006 -6.459 409 HA TYR 56 HA TYR 56 12.457 4.909 -5.558 410 HB2 TYR 56 HB2 TYR 56 11.116 2.719 -4.020 411 HB3 TYR 56 HB1 TYR 56 12.620 3.464 -3.494 412 HD1 TYR 56 HD2 TYR 56 9.039 4.012 -4.074 413 HD2 TYR 56 HD1 TYR 56 12.658 5.667 -2.592 414 HE1 TYR 56 HE2 TYR 56 7.776 5.790 -2.987 415 HE2 TYR 56 HE1 TYR 56 11.397 7.467 -1.500 416 HH TYR 56 HH TYR 56 9.285 8.573 -1.630 417 H GLY 57 HN GLY 57 12.098 2.041 -7.273 418 HA2 GLY 57 HA2 GLY 57 13.772 0.730 -8.194 419 HA3 GLY 57 HA1 GLY 57 14.959 1.660 -7.280 420 H VAL 58 HN VAL 58 12.147 -0.148 -6.250 421 HA VAL 58 HA VAL 58 13.870 -1.935 -4.712 422 HB VAL 58 HB VAL 58 12.833 -0.101 -3.273 423 HG11 VAL 58 HG11 VAL 58 10.456 -0.241 -2.657 424 HG12 VAL 58 HG12 VAL 58 10.228 -1.420 -3.944 425 HG13 VAL 58 HG13 VAL 58 10.738 0.221 -4.335 426 HG21 VAL 58 HG21 VAL 58 11.948 -2.896 -2.530 427 HG22 VAL 58 HG22 VAL 58 12.132 -1.536 -1.427 428 HG23 VAL 58 HG23 VAL 58 13.544 -2.204 -2.240 429 H SER 59 HN SER 59 12.327 -3.963 -4.063 430 HA SER 59 HA SER 59 10.245 -4.232 -6.033 431 HB2 SER 59 HB2 SER 59 12.370 -5.151 -7.013 432 HB3 SER 59 HB1 SER 59 12.411 -6.321 -5.696 433 HG SER 59 HG SER 59 10.061 -6.088 -7.180 434 H ILE 60 HN ILE 60 8.692 -5.654 -5.486 435 HA ILE 60 HA ILE 60 8.805 -6.974 -2.880 436 HB ILE 60 HB ILE 60 6.560 -5.155 -3.831 437 HG12 ILE 60 HG12 ILE 60 8.345 -4.987 -1.386 438 HG13 ILE 60 HG11 ILE 60 8.415 -3.942 -2.799 439 HG21 ILE 60 HG21 ILE 60 5.600 -7.140 -2.832 440 HG22 ILE 60 HG22 ILE 60 5.366 -5.753 -1.770 441 HG23 ILE 60 HG23 ILE 60 6.617 -6.943 -1.405 442 HD11 ILE 60 HD11 ILE 60 7.316 -2.842 -0.933 443 HD12 ILE 60 HD12 ILE 60 6.123 -4.140 -0.860 444 HD13 ILE 60 HD13 ILE 60 6.191 -3.083 -2.271 445 HA PRO 61 HA PRO 61 7.375 -10.238 -5.680 446 HB2 PRO 61 HB2 PRO 61 7.057 -11.537 -3.013 447 HB3 PRO 61 HB1 PRO 61 7.842 -12.154 -4.473 448 HG2 PRO 61 HG2 PRO 61 9.309 -11.306 -2.431 449 HG3 PRO 61 HG1 PRO 61 9.789 -10.940 -4.098 450 HD2 PRO 61 HD2 PRO 61 8.501 -9.169 -2.066 451 HD3 PRO 61 HD1 PRO 61 9.754 -8.788 -3.265 452 H ASP 62 HN ASP 62 5.377 -11.021 -6.174 453 HA ASP 62 HA ASP 62 3.136 -9.538 -5.371 454 HB2 ASP 62 HB2 ASP 62 1.781 -10.917 -6.782 455 HB3 ASP 62 HB1 ASP 62 3.331 -10.705 -7.572 456 H ASP 63 HN ASP 63 4.375 -12.531 -4.140 457 HA ASP 63 HA ASP 63 2.053 -13.302 -2.662 458 HB2 ASP 63 HB2 ASP 63 4.940 -14.108 -2.408 459 HB3 ASP 63 HB1 ASP 63 3.721 -14.665 -1.273 460 H VAL 64 HN VAL 64 4.313 -10.897 -2.177 461 HA VAL 64 HA VAL 64 4.013 -10.766 0.711 462 HB VAL 64 HB VAL 64 5.241 -8.838 -1.247 463 HG11 VAL 64 HG11 VAL 64 4.682 -7.783 0.893 464 HG12 VAL 64 HG12 VAL 64 6.431 -7.936 0.744 465 HG13 VAL 64 HG13 VAL 64 5.531 -9.059 1.766 466 HG21 VAL 64 HG21 VAL 64 6.555 -10.977 0.430 467 HG22 VAL 64 HG22 VAL 64 7.413 -9.771 -0.531 468 HG23 VAL 64 HG23 VAL 64 6.388 -10.969 -1.326 469 H ALA 65 HN ALA 65 3.278 -8.709 -2.075 470 HA ALA 65 HA ALA 65 1.728 -6.791 -0.703 471 HB1 ALA 65 HB1 ALA 65 1.641 -7.513 -3.623 472 HB2 ALA 65 HB2 ALA 65 2.776 -6.383 -2.881 473 HB3 ALA 65 HB3 ALA 65 1.047 -6.021 -2.894 474 H GLY 66 HN GLY 66 0.824 -9.832 -2.236 475 HA2 GLY 66 HA2 GLY 66 -1.984 -9.282 -1.636 476 HA3 GLY 66 HA1 GLY 66 -1.368 -10.640 -2.574 477 H ARG 67 HN ARG 67 -0.258 -9.529 0.548 478 HA ARG 67 HA ARG 67 -1.450 -11.849 1.893 479 HB2 ARG 67 HB2 ARG 67 0.778 -12.483 0.984 480 HB3 ARG 67 HB1 ARG 67 1.495 -11.194 1.919 481 HG2 ARG 67 HG2 ARG 67 0.954 -12.333 3.967 482 HG3 ARG 67 HG1 ARG 67 0.086 -13.587 3.069 483 HD2 ARG 67 HD2 ARG 67 2.125 -14.201 1.915 484 HD3 ARG 67 HD1 ARG 67 3.002 -12.918 2.739 485 HE ARG 67 HE ARG 67 2.501 -14.142 4.817 486 HH11 ARG 67 HH11 ARG 67 2.455 -15.924 1.722 487 HH12 ARG 67 HH12 ARG 67 3.003 -17.378 2.381 488 HH21 ARG 67 HH21 ARG 67 3.278 -16.182 5.741 489 HH22 ARG 67 HH22 ARG 67 3.509 -17.525 4.726 490 H VAL 68 HN VAL 68 -1.529 -8.812 1.817 491 HA VAL 68 HA VAL 68 -0.782 -8.270 4.588 492 HB VAL 68 HB VAL 68 -0.927 -5.835 4.009 493 HG11 VAL 68 HG11 VAL 68 1.160 -5.728 2.720 494 HG12 VAL 68 HG12 VAL 68 0.985 -7.434 2.318 495 HG13 VAL 68 HG13 VAL 68 1.219 -6.942 3.995 496 HG21 VAL 68 HG21 VAL 68 -0.959 -5.133 1.650 497 HG22 VAL 68 HG22 VAL 68 -2.449 -5.972 2.082 498 HG23 VAL 68 HG23 VAL 68 -1.200 -6.808 1.158 499 H ASP 69 HN ASP 69 -2.296 -8.309 5.980 500 HA ASP 69 HA ASP 69 -5.059 -8.594 5.340 501 HB2 ASP 69 HB2 ASP 69 -3.755 -7.978 8.003 502 HB3 ASP 69 HB1 ASP 69 -5.454 -8.373 7.790 503 H THR 70 HN THR 70 -3.168 -5.961 6.773 504 HA THR 70 HA THR 70 -5.316 -4.187 5.957 505 HB THR 70 HB THR 70 -4.746 -2.794 8.028 506 HG1 THR 70 HG1 THR 70 -2.930 -4.793 8.423 507 HG21 THR 70 HG21 THR 70 -6.152 -4.140 9.529 508 HG22 THR 70 HG22 THR 70 -5.949 -5.528 8.459 509 HG23 THR 70 HG23 THR 70 -6.802 -4.091 7.890 510 HA PRO 71 HA PRO 71 -2.374 -1.734 3.789 511 HB2 PRO 71 HB2 PRO 71 -3.386 0.700 5.146 512 HB3 PRO 71 HB1 PRO 71 -3.324 0.313 3.421 513 HG2 PRO 71 HG2 PRO 71 -5.631 0.274 4.731 514 HG3 PRO 71 HG1 PRO 71 -5.261 -0.951 3.500 515 HD2 PRO 71 HD2 PRO 71 -5.152 -1.162 6.483 516 HD3 PRO 71 HD1 PRO 71 -5.771 -2.329 5.296 517 H ARG 72 HN ARG 72 -2.527 -1.497 7.193 518 HA ARG 72 HA ARG 72 -0.374 0.178 7.788 519 HB2 ARG 72 HB2 ARG 72 -2.035 -0.699 9.416 520 HB3 ARG 72 HB1 ARG 72 -1.322 -2.292 9.255 521 HG2 ARG 72 HG2 ARG 72 0.788 -1.404 10.153 522 HG3 ARG 72 HG1 ARG 72 0.004 0.163 10.377 523 HD2 ARG 72 HD2 ARG 72 -0.865 -2.435 11.634 524 HD3 ARG 72 HD1 ARG 72 0.046 -1.164 12.442 525 HE ARG 72 HE ARG 72 -1.975 0.265 11.861 526 HH11 ARG 72 HH11 ARG 72 -2.185 -3.209 12.576 527 HH12 ARG 72 HH12 ARG 72 -3.692 -3.127 13.335 528 HH21 ARG 72 HH21 ARG 72 -4.146 0.374 12.843 529 HH22 ARG 72 HH22 ARG 72 -4.870 -1.070 13.404 530 H GLU 73 HN GLU 73 -0.542 -3.271 7.015 531 HA GLU 73 HA GLU 73 2.249 -3.735 7.362 532 HB2 GLU 73 HB2 GLU 73 0.151 -5.381 5.946 533 HB3 GLU 73 HB1 GLU 73 1.812 -5.893 6.128 534 HG2 GLU 73 HG2 GLU 73 0.586 -7.013 7.778 535 HG3 GLU 73 HG1 GLU 73 1.453 -5.730 8.614 536 H LEU 74 HN LEU 74 0.179 -2.988 4.661 537 HA LEU 74 HA LEU 74 2.054 -3.436 2.585 538 HB2 LEU 74 HB2 LEU 74 -0.512 -3.065 2.461 539 HB3 LEU 74 HB1 LEU 74 -0.155 -1.360 2.525 540 HG LEU 74 HG LEU 74 -0.681 -2.179 0.259 541 HD11 LEU 74 HD11 LEU 74 1.182 -1.165 -0.958 542 HD12 LEU 74 HD12 LEU 74 2.150 -1.192 0.520 543 HD13 LEU 74 HD13 LEU 74 0.697 -0.198 0.438 544 HD21 LEU 74 HD21 LEU 74 0.214 -4.414 0.404 545 HD22 LEU 74 HD22 LEU 74 1.855 -3.779 0.525 546 HD23 LEU 74 HD23 LEU 74 0.934 -3.564 -0.965 547 H LEU 75 HN LEU 75 1.279 -0.598 4.530 548 HA LEU 75 HA LEU 75 3.114 1.230 3.404 549 HB2 LEU 75 HB2 LEU 75 1.257 1.845 4.916 550 HB3 LEU 75 HB1 LEU 75 2.055 1.004 6.223 551 HG LEU 75 HG LEU 75 3.912 2.655 6.123 552 HD11 LEU 75 HD11 LEU 75 2.155 4.058 4.130 553 HD12 LEU 75 HD12 LEU 75 3.716 3.306 3.799 554 HD13 LEU 75 HD13 LEU 75 3.620 4.708 4.865 555 HD21 LEU 75 HD21 LEU 75 1.155 3.828 6.472 556 HD22 LEU 75 HD22 LEU 75 2.655 4.498 7.116 557 HD23 LEU 75 HD23 LEU 75 2.066 2.940 7.693 558 H ASP 76 HN ASP 76 3.290 -1.049 6.067 559 HA ASP 76 HA ASP 76 5.846 -0.401 6.996 560 HB2 ASP 76 HB2 ASP 76 4.258 -1.657 8.351 561 HB3 ASP 76 HB1 ASP 76 4.358 -3.013 7.235 562 H LEU 77 HN LEU 77 4.828 -2.726 4.500 563 HA LEU 77 HA LEU 77 7.166 -4.087 4.055 564 HB2 LEU 77 HB2 LEU 77 5.203 -3.029 2.024 565 HB3 LEU 77 HB1 LEU 77 6.377 -4.292 1.759 566 HG LEU 77 HG LEU 77 4.010 -4.452 3.604 567 HD11 LEU 77 HD11 LEU 77 4.549 -5.741 0.939 568 HD12 LEU 77 HD12 LEU 77 3.380 -4.462 1.268 569 HD13 LEU 77 HD13 LEU 77 3.159 -6.062 1.976 570 HD21 LEU 77 HD21 LEU 77 4.598 -6.816 3.821 571 HD22 LEU 77 HD22 LEU 77 5.895 -5.781 4.424 572 HD23 LEU 77 HD23 LEU 77 6.042 -6.550 2.844 573 H ILE 78 HN ILE 78 6.061 -1.059 2.665 574 HA ILE 78 HA ILE 78 8.371 -0.487 1.146 575 HB ILE 78 HB ILE 78 6.127 1.267 2.163 576 HG12 ILE 78 HG12 ILE 78 5.463 -0.446 0.552 577 HG13 ILE 78 HG11 ILE 78 5.343 1.158 -0.161 578 HG21 ILE 78 HG21 ILE 78 8.076 2.677 1.810 579 HG22 ILE 78 HG22 ILE 78 6.862 2.975 0.563 580 HG23 ILE 78 HG23 ILE 78 8.287 2.009 0.191 581 HD11 ILE 78 HD11 ILE 78 7.467 0.789 -1.339 582 HD12 ILE 78 HD12 ILE 78 6.271 -0.438 -1.749 583 HD13 ILE 78 HD13 ILE 78 7.576 -0.819 -0.629 584 H ASN 79 HN ASN 79 7.228 0.780 4.270 585 HA ASN 79 HA ASN 79 9.442 2.453 4.739 586 HB2 ASN 79 HB2 ASN 79 7.588 1.190 6.774 587 HB3 ASN 79 HB1 ASN 79 8.771 2.433 7.146 588 HD21 ASN 79 HD21 ASN 79 8.186 3.829 4.563 589 HD22 ASN 79 HD22 ASN 79 6.666 4.610 4.832 590 H GLY 80 HN GLY 80 9.020 -0.939 5.342 591 HA2 GLY 80 HA2 GLY 80 11.374 -1.175 6.943 592 HA3 GLY 80 HA1 GLY 80 10.464 -2.489 6.209 593 H ALA 81 HN ALA 81 10.571 -2.094 3.606 594 HA ALA 81 HA ALA 81 13.081 -3.060 2.913 595 HB1 ALA 81 HB1 ALA 81 11.042 -3.491 1.623 596 HB2 ALA 81 HB2 ALA 81 12.358 -2.903 0.607 597 HB3 ALA 81 HB3 ALA 81 11.048 -1.817 1.069 598 H LEU 82 HN LEU 82 11.801 0.221 2.556 599 HA LEU 82 HA LEU 82 14.082 1.145 1.118 600 HB2 LEU 82 HB2 LEU 82 11.918 2.684 2.525 601 HB3 LEU 82 HB1 LEU 82 13.137 3.403 1.490 602 HG LEU 82 HG LEU 82 10.962 1.490 0.665 603 HD11 LEU 82 HD11 LEU 82 10.154 3.399 -0.627 604 HD12 LEU 82 HD12 LEU 82 11.446 4.394 0.045 605 HD13 LEU 82 HD13 LEU 82 10.193 3.742 1.103 606 HD21 LEU 82 HD21 LEU 82 13.123 2.778 -1.009 607 HD22 LEU 82 HD22 LEU 82 11.778 1.818 -1.624 608 HD23 LEU 82 HD23 LEU 82 13.008 1.066 -0.607 609 H ALA 83 HN ALA 83 13.547 0.637 4.413 610 HA ALA 83 HA ALA 83 15.625 2.559 5.177 611 HB1 ALA 83 HB1 ALA 83 13.558 2.597 6.474 612 HB2 ALA 83 HB2 ALA 83 14.943 2.148 7.471 613 HB3 ALA 83 HB3 ALA 83 13.811 0.911 6.925 614 H GLU 84 HN GLU 84 14.855 -0.869 5.314 615 HA GLU 84 HA GLU 84 17.355 -1.503 6.590 616 HB2 GLU 84 HB2 GLU 84 15.123 -3.226 5.541 617 HB3 GLU 84 HB1 GLU 84 16.566 -3.861 6.319 618 HG2 GLU 84 HG2 GLU 84 14.584 -1.980 7.581 619 HG3 GLU 84 HG1 GLU 84 14.669 -3.722 7.852 620 H ALA 85 HN ALA 85 16.000 -1.615 3.354 621 HA ALA 85 HA ALA 85 16.748 -2.173 1.366 622 HB1 ALA 85 HB1 ALA 85 19.514 -1.597 2.467 623 HB2 ALA 85 HB2 ALA 85 18.411 -0.391 1.802 624 HB3 ALA 85 HB3 ALA 85 19.061 -1.658 0.761 625 H ALA 86 HN ALA 86 16.005 -4.243 1.590 626 HA ALA 86 HA ALA 86 18.098 -6.252 1.812 627 HB1 ALA 86 HB1 ALA 86 15.323 -6.459 2.991 628 HB2 ALA 86 HB2 ALA 86 16.820 -6.260 3.905 629 HB3 ALA 86 HB3 ALA 86 16.539 -7.737 2.984 630 H282 PNS 87 H28A PNS 87 -4.415 -12.067 -2.950 631 H281 PNS 87 H28B PNS 87 -3.791 -12.331 -1.319 632 H303 PNS 87 H30A PNS 87 -2.340 -14.083 -2.333 633 H302 PNS 87 H30B PNS 87 -3.099 -13.836 -3.908 634 H301 PNS 87 H30C PNS 87 -3.063 -15.446 -3.188 635 H313 PNS 87 H31A PNS 87 -3.724 -14.604 -0.357 636 H312 PNS 87 H31B PNS 87 -4.491 -15.951 -1.201 637 H311 PNS 87 H31C PNS 87 -5.481 -14.675 -0.498 638 H32 PNS 87 H32A PNS 87 -6.599 -14.269 -2.757 639 H33 PNS 87 H33A PNS 87 -4.974 -16.324 -3.863 640 H36 PNS 87 H36A PNS 87 -6.598 -15.512 -5.322 641 H372 PNS 87 H37A PNS 87 -6.152 -13.135 -7.047 642 H371 PNS 87 H37B PNS 87 -5.534 -14.701 -7.515 643 H382 PNS 87 H38A PNS 87 -7.496 -14.421 -8.704 644 H381 PNS 87 H38B PNS 87 -7.855 -15.618 -7.445 645 H41 PNS 87 H41A PNS 87 -7.817 -12.795 -5.827 646 H422 PNS 87 H42A PNS 87 -9.955 -11.210 -6.553 647 H421 PNS 87 H42B PNS 87 -10.633 -12.535 -5.611 648 H431 PNS 87 H43A PNS 87 -10.188 -10.668 -4.159 649 H432 PNS 87 H43B PNS 87 -8.520 -10.608 -4.714 650 H44 PNS 87 H1 PNS 87 -8.553 -11.655 -2.133 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 20.181 6.025 3.598 2 H2 MET 1 HT2 MET 1 20.309 6.741 5.139 3 H3 MET 1 HT3 MET 1 20.058 7.694 3.747 4 HA MET 1 HA MET 1 18.157 5.689 4.706 5 HB2 MET 1 HB2 MET 1 18.192 8.708 4.928 6 HB3 MET 1 HB1 MET 1 16.711 7.778 5.046 7 HG2 MET 1 HG2 MET 1 17.537 8.368 7.236 8 HG3 MET 1 HG1 MET 1 17.581 6.624 7.002 9 HE1 MET 1 HE1 MET 1 19.108 6.343 9.114 10 HE2 MET 1 HE2 MET 1 19.037 8.083 9.379 11 HE3 MET 1 HE3 MET 1 20.593 7.255 9.382 12 H ALA 2 HN ALA 2 15.970 6.495 3.637 13 HA ALA 2 HA ALA 2 16.434 7.310 0.874 14 HB1 ALA 2 HB1 ALA 2 14.994 5.497 0.061 15 HB2 ALA 2 HB2 ALA 2 14.896 4.841 1.697 16 HB3 ALA 2 HB3 ALA 2 16.442 4.859 0.844 17 H THR 3 HN THR 3 14.201 7.644 -0.154 18 HA THR 3 HA THR 3 12.652 9.343 1.535 19 HB THR 3 HB THR 3 12.063 8.251 -1.164 20 HG1 THR 3 HG1 THR 3 14.035 9.380 -1.268 21 HG21 THR 3 HG21 THR 3 11.055 10.743 0.226 22 HG22 THR 3 HG22 THR 3 10.115 9.292 -0.123 23 HG23 THR 3 HG23 THR 3 10.687 10.309 -1.444 24 H LEU 4 HN LEU 4 11.441 8.343 3.080 25 HA LEU 4 HA LEU 4 10.160 5.801 2.488 26 HB2 LEU 4 HB2 LEU 4 10.072 7.454 5.023 27 HB3 LEU 4 HB1 LEU 4 9.482 5.827 4.821 28 HG LEU 4 HG LEU 4 12.387 6.615 4.635 29 HD11 LEU 4 HD11 LEU 4 11.529 6.885 6.894 30 HD12 LEU 4 HD12 LEU 4 12.609 5.493 6.795 31 HD13 LEU 4 HD13 LEU 4 10.861 5.254 6.845 32 HD21 LEU 4 HD21 LEU 4 11.045 3.917 4.701 33 HD22 LEU 4 HD22 LEU 4 12.785 4.201 4.723 34 HD23 LEU 4 HD23 LEU 4 11.836 4.649 3.305 35 H LEU 5 HN LEU 5 8.033 5.647 1.992 36 HA LEU 5 HA LEU 5 6.601 8.070 1.689 37 HB2 LEU 5 HB2 LEU 5 4.667 6.570 0.998 38 HB3 LEU 5 HB1 LEU 5 6.081 6.606 -0.018 39 HG LEU 5 HG LEU 5 6.760 4.416 0.891 40 HD11 LEU 5 HD11 LEU 5 4.074 4.445 2.257 41 HD12 LEU 5 HD12 LEU 5 5.644 4.482 3.061 42 HD13 LEU 5 HD13 LEU 5 5.162 3.063 2.132 43 HD21 LEU 5 HD21 LEU 5 4.007 4.556 -0.281 44 HD22 LEU 5 HD22 LEU 5 5.058 3.138 -0.273 45 HD23 LEU 5 HD23 LEU 5 5.533 4.584 -1.160 46 H THR 6 HN THR 6 4.731 8.708 2.613 47 HA THR 6 HA THR 6 4.555 7.948 5.409 48 HB THR 6 HB THR 6 3.262 10.058 5.602 49 HG1 THR 6 HG1 THR 6 4.001 10.452 2.874 50 HG21 THR 6 HG21 THR 6 5.710 10.102 5.910 51 HG22 THR 6 HG22 THR 6 5.141 11.594 5.160 52 HG23 THR 6 HG23 THR 6 5.921 10.357 4.177 53 H THR 7 HN THR 7 2.060 8.624 6.088 54 HA THR 7 HA THR 7 0.341 6.552 5.301 55 HB THR 7 HB THR 7 -0.499 9.236 6.418 56 HG1 THR 7 HG1 THR 7 0.651 7.093 7.961 57 HG21 THR 7 HG21 THR 7 -1.395 6.403 6.985 58 HG22 THR 7 HG22 THR 7 -2.260 7.570 5.987 59 HG23 THR 7 HG23 THR 7 -2.067 7.858 7.718 60 H ASP 8 HN ASP 8 0.486 10.020 4.581 61 HA ASP 8 HA ASP 8 -1.720 10.183 2.861 62 HB2 ASP 8 HB2 ASP 8 -0.771 12.113 3.990 63 HB3 ASP 8 HB1 ASP 8 0.716 11.936 3.064 64 H ASP 9 HN ASP 9 1.716 9.626 2.205 65 HA ASP 9 HA ASP 9 1.552 9.748 -0.626 66 HB2 ASP 9 HB2 ASP 9 3.478 8.166 1.085 67 HB3 ASP 9 HB1 ASP 9 3.571 8.242 -0.669 68 H LEU 10 HN LEU 10 1.356 7.015 1.601 69 HA LEU 10 HA LEU 10 0.924 4.982 -0.241 70 HB2 LEU 10 HB2 LEU 10 1.365 4.610 2.155 71 HB3 LEU 10 HB1 LEU 10 -0.209 5.270 2.548 72 HG LEU 10 HG LEU 10 -1.266 3.379 1.337 73 HD11 LEU 10 HD11 LEU 10 0.086 1.427 0.753 74 HD12 LEU 10 HD12 LEU 10 1.550 2.328 1.149 75 HD13 LEU 10 HD13 LEU 10 0.533 2.846 -0.196 76 HD21 LEU 10 HD21 LEU 10 -0.973 3.287 3.750 77 HD22 LEU 10 HD22 LEU 10 0.640 2.604 3.541 78 HD23 LEU 10 HD23 LEU 10 -0.778 1.684 3.040 79 H ARG 11 HN ARG 11 -1.419 6.990 1.490 80 HA ARG 11 HA ARG 11 -3.813 6.042 0.496 81 HB2 ARG 11 HB2 ARG 11 -3.710 7.731 2.240 82 HB3 ARG 11 HB1 ARG 11 -3.061 8.907 1.105 83 HG2 ARG 11 HG2 ARG 11 -5.166 8.733 -0.194 84 HG3 ARG 11 HG1 ARG 11 -5.801 7.678 1.065 85 HD2 ARG 11 HD2 ARG 11 -6.587 9.943 1.374 86 HD3 ARG 11 HD1 ARG 11 -5.526 9.473 2.700 87 HE ARG 11 HE ARG 11 -3.815 10.854 1.735 88 HH11 ARG 11 HH11 ARG 11 -6.908 11.237 0.073 89 HH12 ARG 11 HH12 ARG 11 -6.725 12.910 -0.217 90 HH21 ARG 11 HH21 ARG 11 -3.518 13.111 1.275 91 HH22 ARG 11 HH22 ARG 11 -4.761 14.014 0.521 92 H ARG 12 HN ARG 12 -1.871 8.690 -0.875 93 HA ARG 12 HA ARG 12 -3.575 9.157 -3.066 94 HB2 ARG 12 HB2 ARG 12 -0.726 9.912 -2.525 95 HB3 ARG 12 HB1 ARG 12 -1.512 10.320 -4.043 96 HG2 ARG 12 HG2 ARG 12 -3.195 11.601 -2.864 97 HG3 ARG 12 HG1 ARG 12 -2.492 11.134 -1.314 98 HD2 ARG 12 HD2 ARG 12 -0.915 12.582 -3.425 99 HD3 ARG 12 HD1 ARG 12 -1.888 13.440 -2.233 100 HE ARG 12 HE ARG 12 -0.489 12.599 -0.519 101 HH11 ARG 12 HH11 ARG 12 0.844 11.944 -3.756 102 HH12 ARG 12 HH12 ARG 12 2.438 11.765 -3.168 103 HH21 ARG 12 HH21 ARG 12 1.621 12.427 0.211 104 HH22 ARG 12 HH22 ARG 12 2.894 11.963 -0.829 105 H ALA 13 HN ALA 13 -0.861 7.006 -2.717 106 HA ALA 13 HA ALA 13 -0.648 6.378 -5.497 107 HB1 ALA 13 HB1 ALA 13 0.289 4.837 -3.080 108 HB2 ALA 13 HB2 ALA 13 1.216 6.067 -3.939 109 HB3 ALA 13 HB3 ALA 13 0.795 4.557 -4.747 110 H LEU 14 HN LEU 14 -2.159 4.904 -2.723 111 HA LEU 14 HA LEU 14 -2.982 2.490 -3.858 112 HB2 LEU 14 HB2 LEU 14 -2.611 2.989 -1.654 113 HB3 LEU 14 HB1 LEU 14 -3.960 4.100 -1.527 114 HG LEU 14 HG LEU 14 -5.458 2.067 -2.090 115 HD11 LEU 14 HD11 LEU 14 -4.555 -0.112 -1.474 116 HD12 LEU 14 HD12 LEU 14 -2.964 0.612 -1.246 117 HD13 LEU 14 HD13 LEU 14 -3.698 0.583 -2.850 118 HD21 LEU 14 HD21 LEU 14 -3.986 2.102 0.542 119 HD22 LEU 14 HD22 LEU 14 -5.568 1.373 0.233 120 HD23 LEU 14 HD23 LEU 14 -5.361 3.116 0.111 121 H VAL 15 HN VAL 15 -4.710 5.588 -3.474 122 HA VAL 15 HA VAL 15 -7.115 4.567 -4.654 123 HB VAL 15 HB VAL 15 -6.284 7.475 -4.271 124 HG11 VAL 15 HG11 VAL 15 -8.074 7.255 -5.904 125 HG12 VAL 15 HG12 VAL 15 -8.665 8.001 -4.419 126 HG13 VAL 15 HG13 VAL 15 -9.021 6.306 -4.759 127 HG21 VAL 15 HG21 VAL 15 -6.352 6.285 -2.156 128 HG22 VAL 15 HG22 VAL 15 -7.979 5.706 -2.517 129 HG23 VAL 15 HG23 VAL 15 -7.690 7.426 -2.270 130 H GLU 16 HN GLU 16 -4.171 5.646 -5.907 131 HA GLU 16 HA GLU 16 -5.283 6.398 -8.444 132 HB2 GLU 16 HB2 GLU 16 -3.017 7.137 -7.221 133 HB3 GLU 16 HB1 GLU 16 -2.382 5.767 -8.112 134 HG2 GLU 16 HG2 GLU 16 -3.729 8.200 -9.279 135 HG3 GLU 16 HG1 GLU 16 -2.011 7.835 -9.310 136 H SER 17 HN SER 17 -3.726 3.592 -6.932 137 HA SER 17 HA SER 17 -3.538 1.885 -9.126 138 HB2 SER 17 HB2 SER 17 -4.301 1.103 -6.315 139 HB3 SER 17 HB1 SER 17 -3.428 0.140 -7.509 140 HG SER 17 HG SER 17 -2.274 1.234 -5.756 141 H ALA 18 HN ALA 18 -6.201 2.516 -6.838 142 HA ALA 18 HA ALA 18 -8.134 1.383 -8.649 143 HB1 ALA 18 HB1 ALA 18 -9.092 -0.015 -6.892 144 HB2 ALA 18 HB2 ALA 18 -7.789 0.475 -5.811 145 HB3 ALA 18 HB3 ALA 18 -7.424 -0.510 -7.235 146 H GLY 19 HN GLY 19 -9.315 3.108 -8.804 147 HA2 GLY 19 HA2 GLY 19 -9.973 4.646 -6.374 148 HA3 GLY 19 HA1 GLY 19 -10.001 5.295 -8.012 149 H GLU 20 HN GLU 20 -11.311 2.300 -6.704 150 HA GLU 20 HA GLU 20 -13.762 2.676 -8.144 151 HB2 GLU 20 HB2 GLU 20 -13.016 0.577 -6.104 152 HB3 GLU 20 HB1 GLU 20 -14.475 0.565 -7.083 153 HG2 GLU 20 HG2 GLU 20 -11.637 0.271 -8.012 154 HG3 GLU 20 HG1 GLU 20 -12.911 -0.944 -8.039 155 H THR 21 HN THR 21 -15.809 2.860 -7.282 156 HA THR 21 HA THR 21 -17.352 4.007 -6.152 157 HB THR 21 HB THR 21 -17.568 3.450 -3.714 158 HG1 THR 21 HG1 THR 21 -15.041 2.708 -3.989 159 HG21 THR 21 HG21 THR 21 -17.256 1.160 -5.650 160 HG22 THR 21 HG22 THR 21 -18.700 2.142 -5.407 161 HG23 THR 21 HG23 THR 21 -18.130 1.076 -4.123 162 H ASP 22 HN ASP 22 -16.191 5.886 -6.795 163 HA ASP 22 HA ASP 22 -15.591 8.057 -6.508 164 HB2 ASP 22 HB2 ASP 22 -17.262 8.269 -4.751 165 HB3 ASP 22 HB1 ASP 22 -16.182 7.540 -3.573 166 H GLY 23 HN GLY 23 -13.896 5.590 -4.909 167 HA2 GLY 23 HA2 GLY 23 -11.581 5.360 -4.751 168 HA3 GLY 23 HA1 GLY 23 -11.402 7.080 -5.098 169 H THR 24 HN THR 24 -13.800 6.357 -2.892 170 HA THR 24 HA THR 24 -14.209 6.934 -0.811 171 HB THR 24 HB THR 24 -12.611 6.053 0.953 172 HG1 THR 24 HG1 THR 24 -10.938 6.014 -1.103 173 HG21 THR 24 HG21 THR 24 -14.459 4.713 0.103 174 HG22 THR 24 HG22 THR 24 -13.053 3.703 0.437 175 HG23 THR 24 HG23 THR 24 -13.449 4.144 -1.224 176 H ASP 25 HN ASP 25 -13.047 7.919 1.357 177 HA ASP 25 HA ASP 25 -11.825 10.399 0.475 178 HB2 ASP 25 HB2 ASP 25 -12.857 9.408 3.151 179 HB3 ASP 25 HB1 ASP 25 -11.961 10.908 2.978 180 H LEU 26 HN LEU 26 -11.407 7.721 2.670 181 HA LEU 26 HA LEU 26 -9.654 6.581 3.522 182 HB2 LEU 26 HB2 LEU 26 -9.375 6.371 0.970 183 HB3 LEU 26 HB1 LEU 26 -8.087 7.543 1.126 184 HG LEU 26 HG LEU 26 -6.896 5.954 2.637 185 HD11 LEU 26 HD11 LEU 26 -8.830 4.694 3.427 186 HD12 LEU 26 HD12 LEU 26 -7.638 3.625 2.692 187 HD13 LEU 26 HD13 LEU 26 -9.095 4.066 1.800 188 HD21 LEU 26 HD21 LEU 26 -7.624 4.926 -0.104 189 HD22 LEU 26 HD22 LEU 26 -6.227 4.411 0.844 190 HD23 LEU 26 HD23 LEU 26 -6.344 6.076 0.275 191 H SER 27 HN SER 27 -9.951 9.473 4.065 192 HA SER 27 HA SER 27 -7.187 10.277 4.570 193 HB2 SER 27 HB2 SER 27 -9.690 11.953 4.566 194 HB3 SER 27 HB1 SER 27 -8.035 12.545 4.728 195 HG SER 27 HG SER 27 -8.710 10.977 2.491 196 H GLY 28 HN GLY 28 -6.707 9.363 6.435 197 HA2 GLY 28 HA2 GLY 28 -7.098 10.430 8.825 198 HA3 GLY 28 HA1 GLY 28 -8.504 9.370 8.672 199 H ASP 29 HN ASP 29 -7.742 8.017 10.292 200 HA ASP 29 HA ASP 29 -5.321 6.575 9.645 201 HB2 ASP 29 HB2 ASP 29 -5.538 5.413 11.804 202 HB3 ASP 29 HB1 ASP 29 -5.664 7.142 12.052 203 H PHE 30 HN PHE 30 -5.646 5.439 7.966 204 HA PHE 30 HA PHE 30 -7.962 3.607 7.866 205 HB2 PHE 30 HB2 PHE 30 -7.651 3.570 5.445 206 HB3 PHE 30 HB1 PHE 30 -7.838 5.222 6.012 207 HD1 PHE 30 HD1 PHE 30 -5.876 6.745 6.032 208 HD2 PHE 30 HD2 PHE 30 -5.642 2.837 4.374 209 HE1 PHE 30 HE1 PHE 30 -3.796 7.365 4.879 210 HE2 PHE 30 HE2 PHE 30 -3.563 3.451 3.216 211 HZ PHE 30 HZ PHE 30 -2.676 5.721 3.400 212 H LEU 31 HN LEU 31 -5.082 3.470 9.009 213 HA LEU 31 HA LEU 31 -3.721 1.544 7.419 214 HB2 LEU 31 HB2 LEU 31 -3.232 2.351 10.288 215 HB3 LEU 31 HB1 LEU 31 -2.187 1.303 9.365 216 HG LEU 31 HG LEU 31 -1.134 3.380 9.407 217 HD11 LEU 31 HD11 LEU 31 -1.006 2.377 7.254 218 HD12 LEU 31 HD12 LEU 31 -1.062 4.134 7.095 219 HD13 LEU 31 HD13 LEU 31 -2.498 3.169 6.749 220 HD21 LEU 31 HD21 LEU 31 -2.181 5.511 8.765 221 HD22 LEU 31 HD22 LEU 31 -2.974 4.767 10.159 222 HD23 LEU 31 HD23 LEU 31 -3.725 4.677 8.568 223 H ASP 32 HN ASP 32 -6.003 1.362 9.976 224 HA ASP 32 HA ASP 32 -5.582 -1.526 10.312 225 HB2 ASP 32 HB2 ASP 32 -7.439 0.339 11.804 226 HB3 ASP 32 HB1 ASP 32 -7.193 -1.367 12.163 227 H LEU 33 HN LEU 33 -7.248 0.421 8.313 228 HA LEU 33 HA LEU 33 -9.758 -0.986 8.318 229 HB2 LEU 33 HB2 LEU 33 -9.668 1.420 7.867 230 HB3 LEU 33 HB1 LEU 33 -8.607 1.140 6.504 231 HG LEU 33 HG LEU 33 -10.411 0.040 5.303 232 HD11 LEU 33 HD11 LEU 33 -11.638 -0.895 7.204 233 HD12 LEU 33 HD12 LEU 33 -12.706 0.076 6.192 234 HD13 LEU 33 HD13 LEU 33 -12.104 0.727 7.714 235 HD21 LEU 33 HD21 LEU 33 -11.172 2.729 6.430 236 HD22 LEU 33 HD22 LEU 33 -11.816 2.016 4.949 237 HD23 LEU 33 HD23 LEU 33 -10.108 2.436 5.052 238 H ARG 34 HN ARG 34 -9.727 -2.929 7.587 239 HA ARG 34 HA ARG 34 -7.707 -4.109 6.032 240 HB2 ARG 34 HB2 ARG 34 -10.531 -5.057 6.485 241 HB3 ARG 34 HB1 ARG 34 -9.212 -6.028 5.851 242 HG2 ARG 34 HG2 ARG 34 -8.029 -5.846 7.947 243 HG3 ARG 34 HG1 ARG 34 -9.282 -4.774 8.583 244 HD2 ARG 34 HD2 ARG 34 -9.600 -7.039 9.392 245 HD3 ARG 34 HD1 ARG 34 -10.927 -6.561 8.340 246 HE ARG 34 HE ARG 34 -8.694 -8.084 7.237 247 HH11 ARG 34 HH11 ARG 34 -12.164 -7.854 7.960 248 HH12 ARG 34 HH12 ARG 34 -12.564 -9.336 7.239 249 HH21 ARG 34 HH21 ARG 34 -9.250 -10.182 6.301 250 HH22 ARG 34 HH22 ARG 34 -10.853 -10.736 6.375 251 H PHE 35 HN PHE 35 -7.567 -4.639 3.972 252 HA PHE 35 HA PHE 35 -8.798 -2.960 2.084 253 HB2 PHE 35 HB2 PHE 35 -7.154 -5.452 1.724 254 HB3 PHE 35 HB1 PHE 35 -7.675 -4.411 0.399 255 HD1 PHE 35 HD2 PHE 35 -7.179 -1.806 0.933 256 HD2 PHE 35 HD1 PHE 35 -5.004 -5.139 2.431 257 HE1 PHE 35 HE2 PHE 35 -5.204 -0.377 1.246 258 HE2 PHE 35 HE1 PHE 35 -3.035 -3.715 2.747 259 HZ PHE 35 HZ PHE 35 -3.129 -1.333 2.147 260 H GLU 36 HN GLU 36 -9.477 -6.185 3.158 261 HA GLU 36 HA GLU 36 -11.311 -7.068 1.298 262 HB2 GLU 36 HB2 GLU 36 -10.490 -8.429 3.160 263 HB3 GLU 36 HB1 GLU 36 -11.335 -7.408 4.307 264 HG2 GLU 36 HG2 GLU 36 -12.492 -9.515 3.967 265 HG3 GLU 36 HG1 GLU 36 -13.472 -8.162 3.412 266 H ASP 37 HN ASP 37 -11.819 -4.881 4.058 267 HA ASP 37 HA ASP 37 -14.644 -4.752 3.789 268 HB2 ASP 37 HB2 ASP 37 -12.744 -2.901 5.246 269 HB3 ASP 37 HB1 ASP 37 -14.496 -2.791 5.326 270 H ILE 38 HN ILE 38 -12.046 -3.062 2.294 271 HA ILE 38 HA ILE 38 -13.972 -1.119 1.270 272 HB ILE 38 HB ILE 38 -12.008 0.306 0.617 273 HG12 ILE 38 HG12 ILE 38 -10.504 -1.642 2.397 274 HG13 ILE 38 HG11 ILE 38 -10.274 -1.451 0.665 275 HG21 ILE 38 HG21 ILE 38 -11.687 1.156 2.900 276 HG22 ILE 38 HG22 ILE 38 -12.418 -0.326 3.526 277 HG23 ILE 38 HG23 ILE 38 -13.377 0.784 2.546 278 HD11 ILE 38 HD11 ILE 38 -9.706 0.632 2.765 279 HD12 ILE 38 HD12 ILE 38 -9.469 0.829 1.028 280 HD13 ILE 38 HD13 ILE 38 -8.509 -0.352 1.920 281 H GLY 39 HN GLY 39 -13.323 -3.839 0.274 282 HA2 GLY 39 HA2 GLY 39 -13.478 -4.870 -1.772 283 HA3 GLY 39 HA1 GLY 39 -13.907 -3.300 -2.428 284 H TYR 40 HN TYR 40 -10.827 -4.307 -0.920 285 HA TYR 40 HA TYR 40 -9.540 -3.684 -3.437 286 HB2 TYR 40 HB2 TYR 40 -8.850 -3.365 -0.610 287 HB3 TYR 40 HB1 TYR 40 -7.549 -3.878 -1.664 288 HD1 TYR 40 HD1 TYR 40 -10.160 -1.303 -1.215 289 HD2 TYR 40 HD2 TYR 40 -6.405 -2.243 -2.945 290 HE1 TYR 40 HE1 TYR 40 -9.930 1.006 -1.850 291 HE2 TYR 40 HE2 TYR 40 -6.114 0.102 -3.610 292 HH TYR 40 HH TYR 40 -7.995 2.643 -2.452 293 H ASP 41 HN ASP 41 -9.305 -5.432 -4.567 294 HA ASP 41 HA ASP 41 -8.858 -8.059 -3.475 295 HB2 ASP 41 HB2 ASP 41 -8.355 -7.124 -6.315 296 HB3 ASP 41 HB1 ASP 41 -8.655 -8.764 -5.766 297 H SER 42 HN SER 42 -6.858 -9.269 -3.973 298 HA SER 42 HA SER 42 -4.466 -8.091 -3.337 299 HB2 SER 42 HB2 SER 42 -4.753 -10.488 -5.199 300 HB3 SER 42 HB1 SER 42 -3.340 -10.004 -4.319 301 H LEU 43 HN LEU 43 -5.944 -8.318 -6.495 302 HA LEU 43 HA LEU 43 -3.890 -7.553 -8.207 303 HB2 LEU 43 HB2 LEU 43 -6.827 -6.877 -8.348 304 HB3 LEU 43 HB1 LEU 43 -5.698 -6.609 -9.654 305 HG LEU 43 HG LEU 43 -6.339 -9.336 -8.511 306 HD11 LEU 43 HD11 LEU 43 -7.667 -9.652 -10.542 307 HD12 LEU 43 HD12 LEU 43 -7.357 -7.980 -11.007 308 HD13 LEU 43 HD13 LEU 43 -8.305 -8.331 -9.563 309 HD21 LEU 43 HD21 LEU 43 -4.897 -8.478 -11.022 310 HD22 LEU 43 HD22 LEU 43 -5.257 -10.140 -10.556 311 HD23 LEU 43 HD23 LEU 43 -4.143 -9.173 -9.586 312 H ALA 44 HN ALA 44 -6.017 -5.555 -6.247 313 HA ALA 44 HA ALA 44 -5.074 -3.083 -7.348 314 HB1 ALA 44 HB1 ALA 44 -6.728 -3.611 -4.884 315 HB2 ALA 44 HB2 ALA 44 -7.357 -3.320 -6.508 316 HB3 ALA 44 HB3 ALA 44 -6.486 -2.045 -5.657 317 H LEU 45 HN LEU 45 -4.357 -5.078 -4.609 318 HA LEU 45 HA LEU 45 -2.877 -3.100 -3.233 319 HB2 LEU 45 HB2 LEU 45 -2.693 -6.079 -2.936 320 HB3 LEU 45 HB1 LEU 45 -2.131 -4.890 -1.788 321 HG LEU 45 HG LEU 45 -4.994 -5.412 -2.530 322 HD11 LEU 45 HD11 LEU 45 -5.176 -6.133 -0.201 323 HD12 LEU 45 HD12 LEU 45 -3.439 -5.856 0.002 324 HD13 LEU 45 HD13 LEU 45 -4.009 -7.113 -1.096 325 HD21 LEU 45 HD21 LEU 45 -4.598 -3.055 -2.151 326 HD22 LEU 45 HD22 LEU 45 -3.767 -3.431 -0.642 327 HD23 LEU 45 HD23 LEU 45 -5.495 -3.752 -0.798 328 H MET 46 HN MET 46 -2.097 -5.859 -5.283 329 HA MET 46 HA MET 46 0.714 -5.663 -5.167 330 HB2 MET 46 HB2 MET 46 -1.062 -6.809 -7.326 331 HB3 MET 46 HB1 MET 46 0.684 -7.006 -7.273 332 HG2 MET 46 HG2 MET 46 0.524 -8.263 -5.217 333 HG3 MET 46 HG1 MET 46 -1.208 -7.917 -5.138 334 HE1 MET 46 HE1 MET 46 0.032 -10.818 -4.857 335 HE2 MET 46 HE2 MET 46 -1.090 -11.751 -5.846 336 HE3 MET 46 HE3 MET 46 -1.698 -10.482 -4.783 337 H GLU 47 HN GLU 47 -1.710 -4.218 -7.237 338 HA GLU 47 HA GLU 47 -0.105 -2.930 -9.115 339 HB2 GLU 47 HB2 GLU 47 -2.610 -3.073 -9.036 340 HB3 GLU 47 HB1 GLU 47 -2.579 -1.831 -7.795 341 HG2 GLU 47 HG2 GLU 47 -3.055 -0.758 -9.847 342 HG3 GLU 47 HG1 GLU 47 -1.399 -0.343 -9.403 343 H THR 48 HN THR 48 -1.372 -1.821 -6.036 344 HA THR 48 HA THR 48 -0.174 0.650 -5.797 345 HB THR 48 HB THR 48 -0.878 -1.366 -3.661 346 HG1 THR 48 HG1 THR 48 -2.730 -0.911 -4.701 347 HG21 THR 48 HG21 THR 48 0.563 0.430 -2.794 348 HG22 THR 48 HG22 THR 48 -1.084 0.541 -2.176 349 HG23 THR 48 HG23 THR 48 -0.550 1.640 -3.457 350 H ALA 49 HN ALA 49 0.997 -2.490 -4.568 351 HA ALA 49 HA ALA 49 3.411 -1.515 -3.561 352 HB1 ALA 49 HB1 ALA 49 2.531 -3.712 -2.971 353 HB2 ALA 49 HB2 ALA 49 4.179 -3.836 -3.583 354 HB3 ALA 49 HB3 ALA 49 2.816 -4.283 -4.616 355 H ALA 50 HN ALA 50 2.653 -2.855 -6.775 356 HA ALA 50 HA ALA 50 5.200 -2.844 -7.870 357 HB1 ALA 50 HB1 ALA 50 2.605 -2.380 -9.329 358 HB2 ALA 50 HB2 ALA 50 3.261 -3.953 -8.886 359 HB3 ALA 50 HB3 ALA 50 4.123 -2.933 -10.037 360 H ARG 51 HN ARG 51 2.756 -0.276 -8.063 361 HA ARG 51 HA ARG 51 4.385 1.505 -9.529 362 HB2 ARG 51 HB2 ARG 51 2.784 3.295 -8.740 363 HB3 ARG 51 HB1 ARG 51 2.032 1.924 -9.540 364 HG2 ARG 51 HG2 ARG 51 1.490 0.986 -7.319 365 HG3 ARG 51 HG1 ARG 51 2.157 2.439 -6.585 366 HD2 ARG 51 HD2 ARG 51 -0.063 2.504 -8.597 367 HD3 ARG 51 HD1 ARG 51 -0.354 2.330 -6.866 368 HE ARG 51 HE ARG 51 0.806 4.447 -6.598 369 HH11 ARG 51 HH11 ARG 51 -0.740 3.646 -9.697 370 HH12 ARG 51 HH12 ARG 51 -0.982 5.246 -10.183 371 HH21 ARG 51 HH21 ARG 51 0.618 6.662 -7.322 372 HH22 ARG 51 HH22 ARG 51 -0.137 7.045 -8.811 373 H LEU 52 HN LEU 52 4.173 0.855 -6.132 374 HA LEU 52 HA LEU 52 5.708 3.139 -5.370 375 HB2 LEU 52 HB2 LEU 52 5.049 0.625 -3.844 376 HB3 LEU 52 HB1 LEU 52 5.822 2.042 -3.153 377 HG LEU 52 HG LEU 52 3.043 1.937 -4.314 378 HD11 LEU 52 HD11 LEU 52 2.286 2.238 -2.015 379 HD12 LEU 52 HD12 LEU 52 3.956 2.123 -1.457 380 HD13 LEU 52 HD13 LEU 52 3.185 0.735 -2.227 381 HD21 LEU 52 HD21 LEU 52 4.491 4.184 -2.915 382 HD22 LEU 52 HD22 LEU 52 2.799 4.202 -3.412 383 HD23 LEU 52 HD23 LEU 52 4.076 4.122 -4.628 384 H GLU 53 HN GLU 53 6.369 -0.233 -6.082 385 HA GLU 53 HA GLU 53 9.042 -0.431 -5.355 386 HB2 GLU 53 HB2 GLU 53 7.703 -1.616 -7.801 387 HB3 GLU 53 HB1 GLU 53 9.280 -2.085 -7.207 388 HG2 GLU 53 HG2 GLU 53 8.215 -2.915 -5.138 389 HG3 GLU 53 HG1 GLU 53 6.640 -2.477 -5.800 390 H SER 54 HN SER 54 7.628 0.691 -8.382 391 HA SER 54 HA SER 54 9.943 1.251 -9.790 392 HB2 SER 54 HB2 SER 54 7.243 2.571 -10.019 393 HB3 SER 54 HB1 SER 54 8.488 2.493 -11.265 394 HG SER 54 HG SER 54 6.621 0.896 -11.146 395 H ARG 55 HN ARG 55 8.191 3.283 -7.464 396 HA ARG 55 HA ARG 55 9.749 5.631 -8.208 397 HB2 ARG 55 HB2 ARG 55 7.401 5.992 -7.571 398 HB3 ARG 55 HB1 ARG 55 7.715 5.312 -5.978 399 HG2 ARG 55 HG2 ARG 55 9.415 7.169 -5.653 400 HG3 ARG 55 HG1 ARG 55 8.772 7.898 -7.117 401 HD2 ARG 55 HD2 ARG 55 7.141 7.265 -4.653 402 HD3 ARG 55 HD1 ARG 55 7.861 8.827 -4.978 403 HE ARG 55 HE ARG 55 6.399 8.455 -7.157 404 HH11 ARG 55 HH11 ARG 55 5.466 8.005 -3.692 405 HH12 ARG 55 HH12 ARG 55 3.861 8.500 -3.974 406 HH21 ARG 55 HH21 ARG 55 4.209 9.190 -7.414 407 HH22 ARG 55 HH22 ARG 55 3.122 9.193 -6.100 408 H TYR 56 HN TYR 56 9.571 3.381 -5.497 409 HA TYR 56 HA TYR 56 11.496 5.040 -4.093 410 HB2 TYR 56 HB2 TYR 56 9.747 2.803 -3.101 411 HB3 TYR 56 HB1 TYR 56 10.904 3.679 -2.101 412 HD1 TYR 56 HD1 TYR 56 10.533 6.109 -1.633 413 HD2 TYR 56 HD2 TYR 56 7.646 3.763 -3.683 414 HE1 TYR 56 HE1 TYR 56 8.816 7.803 -1.150 415 HE2 TYR 56 HE2 TYR 56 5.922 5.447 -3.210 416 HH TYR 56 HH TYR 56 5.435 7.239 -1.769 417 H GLY 57 HN GLY 57 11.523 2.103 -5.854 418 HA2 GLY 57 HA2 GLY 57 13.362 0.797 -6.326 419 HA3 GLY 57 HA1 GLY 57 14.305 1.758 -5.189 420 H VAL 58 HN VAL 58 11.574 -0.446 -5.158 421 HA VAL 58 HA VAL 58 12.809 -1.929 -2.991 422 HB VAL 58 HB VAL 58 11.248 -0.345 -1.905 423 HG11 VAL 58 HG11 VAL 58 8.837 -0.428 -2.279 424 HG12 VAL 58 HG12 VAL 58 9.097 -1.535 -3.625 425 HG13 VAL 58 HG13 VAL 58 9.732 0.109 -3.702 426 HG21 VAL 58 HG21 VAL 58 9.814 -1.918 -0.670 427 HG22 VAL 58 HG22 VAL 58 11.463 -2.521 -0.861 428 HG23 VAL 58 HG23 VAL 58 10.165 -3.159 -1.875 429 H SER 59 HN SER 59 12.087 -4.146 -2.951 430 HA SER 59 HA SER 59 10.702 -4.944 -5.413 431 HB2 SER 59 HB2 SER 59 12.749 -6.480 -3.797 432 HB3 SER 59 HB1 SER 59 12.002 -7.005 -5.305 433 HG SER 59 HG SER 59 12.913 -5.006 -6.214 434 H ILE 60 HN ILE 60 8.708 -5.666 -5.004 435 HA ILE 60 HA ILE 60 8.273 -7.079 -2.474 436 HB ILE 60 HB ILE 60 6.304 -5.235 -3.865 437 HG12 ILE 60 HG12 ILE 60 7.715 -4.997 -1.195 438 HG13 ILE 60 HG11 ILE 60 8.067 -4.045 -2.632 439 HG21 ILE 60 HG21 ILE 60 5.984 -6.873 -1.335 440 HG22 ILE 60 HG22 ILE 60 5.167 -7.164 -2.871 441 HG23 ILE 60 HG23 ILE 60 4.818 -5.702 -1.954 442 HD11 ILE 60 HD11 ILE 60 5.847 -3.055 -2.511 443 HD12 ILE 60 HD12 ILE 60 6.762 -2.798 -1.022 444 HD13 ILE 60 HD13 ILE 60 5.494 -4.023 -1.081 445 HA PRO 61 HA PRO 61 7.337 -10.314 -5.420 446 HB2 PRO 61 HB2 PRO 61 6.940 -11.805 -2.892 447 HB3 PRO 61 HB1 PRO 61 7.982 -12.184 -4.268 448 HG2 PRO 61 HG2 PRO 61 9.031 -11.307 -1.987 449 HG3 PRO 61 HG1 PRO 61 9.673 -10.766 -3.550 450 HD2 PRO 61 HD2 PRO 61 7.819 -9.347 -1.670 451 HD3 PRO 61 HD1 PRO 61 9.227 -8.714 -2.552 452 H ASP 62 HN ASP 62 5.618 -11.602 -5.901 453 HA ASP 62 HA ASP 62 3.086 -10.542 -5.942 454 HB2 ASP 62 HB2 ASP 62 3.880 -12.210 -7.509 455 HB3 ASP 62 HB1 ASP 62 3.939 -13.420 -6.236 456 H ASP 63 HN ASP 63 4.039 -13.382 -4.003 457 HA ASP 63 HA ASP 63 1.604 -13.853 -2.708 458 HB2 ASP 63 HB2 ASP 63 3.433 -15.467 -2.593 459 HB3 ASP 63 HB1 ASP 63 4.392 -14.347 -1.632 460 H VAL 64 HN VAL 64 4.221 -11.811 -1.810 461 HA VAL 64 HA VAL 64 3.523 -11.074 0.811 462 HB VAL 64 HB VAL 64 4.997 -9.506 -1.279 463 HG11 VAL 64 HG11 VAL 64 4.433 -8.147 0.682 464 HG12 VAL 64 HG12 VAL 64 6.168 -8.463 0.658 465 HG13 VAL 64 HG13 VAL 64 5.123 -9.368 1.750 466 HG21 VAL 64 HG21 VAL 64 6.041 -11.534 0.700 467 HG22 VAL 64 HG22 VAL 64 7.045 -10.529 -0.343 468 HG23 VAL 64 HG23 VAL 64 5.952 -11.720 -1.051 469 H ALA 65 HN ALA 65 3.186 -9.234 -2.210 470 HA ALA 65 HA ALA 65 1.761 -7.073 -1.072 471 HB1 ALA 65 HB1 ALA 65 2.019 -7.969 -3.912 472 HB2 ALA 65 HB2 ALA 65 3.059 -6.815 -3.065 473 HB3 ALA 65 HB3 ALA 65 1.368 -6.411 -3.395 474 H GLY 66 HN GLY 66 0.660 -10.160 -2.049 475 HA2 GLY 66 HA2 GLY 66 -2.111 -9.167 -2.075 476 HA3 GLY 66 HA1 GLY 66 -1.592 -10.747 -2.648 477 H ARG 67 HN ARG 67 0.005 -10.060 0.171 478 HA ARG 67 HA ARG 67 -1.849 -11.813 1.667 479 HB2 ARG 67 HB2 ARG 67 0.543 -12.516 1.257 480 HB3 ARG 67 HB1 ARG 67 1.045 -11.183 2.275 481 HG2 ARG 67 HG2 ARG 67 -0.139 -12.195 4.162 482 HG3 ARG 67 HG1 ARG 67 -0.620 -13.543 3.127 483 HD2 ARG 67 HD2 ARG 67 1.304 -14.229 4.368 484 HD3 ARG 67 HD1 ARG 67 1.798 -13.981 2.694 485 HE ARG 67 HE ARG 67 2.232 -11.990 4.814 486 HH11 ARG 67 HH11 ARG 67 3.500 -13.754 1.915 487 HH12 ARG 67 HH12 ARG 67 5.042 -13.071 2.096 488 HH21 ARG 67 HH21 ARG 67 4.433 -11.120 4.950 489 HH22 ARG 67 HH22 ARG 67 5.561 -11.559 3.768 490 H VAL 68 HN VAL 68 -0.784 -8.661 1.425 491 HA VAL 68 HA VAL 68 -0.815 -7.958 4.180 492 HB VAL 68 HB VAL 68 -0.648 -5.589 3.356 493 HG11 VAL 68 HG11 VAL 68 1.327 -6.933 3.771 494 HG12 VAL 68 HG12 VAL 68 1.581 -5.852 2.400 495 HG13 VAL 68 HG13 VAL 68 1.261 -7.564 2.122 496 HG21 VAL 68 HG21 VAL 68 -0.234 -5.197 0.968 497 HG22 VAL 68 HG22 VAL 68 -1.877 -5.791 1.233 498 HG23 VAL 68 HG23 VAL 68 -0.630 -6.878 0.615 499 H ASP 69 HN ASP 69 -2.582 -8.112 5.308 500 HA ASP 69 HA ASP 69 -5.201 -7.849 4.216 501 HB2 ASP 69 HB2 ASP 69 -4.825 -9.369 6.054 502 HB3 ASP 69 HB1 ASP 69 -4.268 -8.055 7.079 503 H THR 70 HN THR 70 -3.186 -5.721 6.173 504 HA THR 70 HA THR 70 -5.224 -3.641 5.850 505 HB THR 70 HB THR 70 -4.238 -2.715 7.983 506 HG1 THR 70 HG1 THR 70 -3.359 -4.888 9.108 507 HG21 THR 70 HG21 THR 70 -5.502 -4.245 9.441 508 HG22 THR 70 HG22 THR 70 -5.562 -5.434 8.139 509 HG23 THR 70 HG23 THR 70 -6.397 -3.889 7.965 510 HA PRO 71 HA PRO 71 -2.107 -0.980 4.024 511 HB2 PRO 71 HB2 PRO 71 -3.098 1.061 5.974 512 HB3 PRO 71 HB1 PRO 71 -2.877 1.194 4.222 513 HG2 PRO 71 HG2 PRO 71 -5.300 0.901 5.195 514 HG3 PRO 71 HG1 PRO 71 -4.811 -0.025 3.761 515 HD2 PRO 71 HD2 PRO 71 -5.028 -0.925 6.611 516 HD3 PRO 71 HD1 PRO 71 -5.535 -1.757 5.123 517 H ARG 72 HN ARG 72 -2.336 -1.475 7.471 518 HA ARG 72 HA ARG 72 -0.004 -0.410 8.547 519 HB2 ARG 72 HB2 ARG 72 -1.178 -3.177 8.958 520 HB3 ARG 72 HB1 ARG 72 0.123 -2.527 9.923 521 HG2 ARG 72 HG2 ARG 72 -2.613 -1.302 9.745 522 HG3 ARG 72 HG1 ARG 72 -2.127 -2.478 10.970 523 HD2 ARG 72 HD2 ARG 72 -0.321 -0.950 11.655 524 HD3 ARG 72 HD1 ARG 72 -0.914 0.232 10.487 525 HE ARG 72 HE ARG 72 -3.073 -0.416 12.063 526 HH11 ARG 72 HH11 ARG 72 0.171 0.770 12.807 527 HH12 ARG 72 HH12 ARG 72 -0.369 1.873 13.993 528 HH21 ARG 72 HH21 ARG 72 -3.798 1.000 13.689 529 HH22 ARG 72 HH22 ARG 72 -2.712 1.967 14.583 530 H GLU 73 HN GLU 73 -0.505 -3.465 6.953 531 HA GLU 73 HA GLU 73 2.114 -4.468 7.011 532 HB2 GLU 73 HB2 GLU 73 -0.101 -5.143 5.101 533 HB3 GLU 73 HB1 GLU 73 1.222 -6.174 5.617 534 HG2 GLU 73 HG2 GLU 73 -0.912 -5.137 7.458 535 HG3 GLU 73 HG1 GLU 73 -0.989 -6.689 6.633 536 H LEU 74 HN LEU 74 0.155 -2.999 4.453 537 HA LEU 74 HA LEU 74 1.998 -3.214 2.314 538 HB2 LEU 74 HB2 LEU 74 -0.586 -2.497 2.514 539 HB3 LEU 74 HB1 LEU 74 0.112 -0.902 2.417 540 HG LEU 74 HG LEU 74 0.309 -3.079 0.323 541 HD11 LEU 74 HD11 LEU 74 -1.034 -1.583 -1.036 542 HD12 LEU 74 HD12 LEU 74 -1.171 -0.477 0.331 543 HD13 LEU 74 HD13 LEU 74 -1.865 -2.096 0.432 544 HD21 LEU 74 HD21 LEU 74 1.388 -0.253 0.228 545 HD22 LEU 74 HD22 LEU 74 1.391 -1.401 -1.112 546 HD23 LEU 74 HD23 LEU 74 2.361 -1.720 0.328 547 H LEU 75 HN LEU 75 1.422 -0.577 4.646 548 HA LEU 75 HA LEU 75 3.291 1.279 3.605 549 HB2 LEU 75 HB2 LEU 75 1.436 1.737 5.244 550 HB3 LEU 75 HB1 LEU 75 2.370 0.905 6.462 551 HG LEU 75 HG LEU 75 4.172 2.651 6.096 552 HD11 LEU 75 HD11 LEU 75 1.926 4.034 4.660 553 HD12 LEU 75 HD12 LEU 75 3.437 3.471 3.947 554 HD13 LEU 75 HD13 LEU 75 3.456 4.769 5.141 555 HD21 LEU 75 HD21 LEU 75 3.040 4.291 7.499 556 HD22 LEU 75 HD22 LEU 75 2.705 2.645 8.035 557 HD23 LEU 75 HD23 LEU 75 1.490 3.540 7.124 558 H ASP 76 HN ASP 76 3.395 -1.199 6.092 559 HA ASP 76 HA ASP 76 5.946 -0.828 7.129 560 HB2 ASP 76 HB2 ASP 76 4.178 -2.189 8.167 561 HB3 ASP 76 HB1 ASP 76 4.342 -3.379 6.888 562 H LEU 77 HN LEU 77 4.837 -2.826 4.448 563 HA LEU 77 HA LEU 77 7.111 -4.257 3.757 564 HB2 LEU 77 HB2 LEU 77 5.186 -2.942 1.837 565 HB3 LEU 77 HB1 LEU 77 6.297 -4.218 1.419 566 HG LEU 77 HG LEU 77 3.888 -4.414 3.198 567 HD11 LEU 77 HD11 LEU 77 3.098 -5.932 1.440 568 HD12 LEU 77 HD12 LEU 77 4.553 -5.587 0.507 569 HD13 LEU 77 HD13 LEU 77 3.391 -4.301 0.834 570 HD21 LEU 77 HD21 LEU 77 5.682 -5.821 4.066 571 HD22 LEU 77 HD22 LEU 77 5.912 -6.525 2.465 572 HD23 LEU 77 HD23 LEU 77 4.408 -6.800 3.341 573 H ILE 78 HN ILE 78 6.114 -1.127 2.547 574 HA ILE 78 HA ILE 78 8.379 -0.624 0.945 575 HB ILE 78 HB ILE 78 6.503 1.408 2.183 576 HG12 ILE 78 HG12 ILE 78 5.274 -0.344 0.913 577 HG13 ILE 78 HG11 ILE 78 5.158 1.241 0.166 578 HG21 ILE 78 HG21 ILE 78 7.131 2.770 0.223 579 HG22 ILE 78 HG22 ILE 78 8.284 1.522 -0.249 580 HG23 ILE 78 HG23 ILE 78 8.508 2.404 1.264 581 HD11 ILE 78 HD11 ILE 78 6.961 -1.007 -0.704 582 HD12 ILE 78 HD12 ILE 78 6.862 0.580 -1.465 583 HD13 ILE 78 HD13 ILE 78 5.468 -0.500 -1.493 584 H ASN 79 HN ASN 79 7.385 0.834 4.047 585 HA ASN 79 HA ASN 79 9.580 2.453 4.505 586 HB2 ASN 79 HB2 ASN 79 7.824 1.054 6.524 587 HB3 ASN 79 HB1 ASN 79 9.021 2.258 6.957 588 HD21 ASN 79 HD21 ASN 79 8.475 3.989 4.645 589 HD22 ASN 79 HD22 ASN 79 6.924 4.686 4.950 590 H GLY 80 HN GLY 80 9.129 -0.865 5.726 591 HA2 GLY 80 HA2 GLY 80 11.551 -1.003 7.131 592 HA3 GLY 80 HA1 GLY 80 10.601 -2.371 6.589 593 H ALA 81 HN ALA 81 10.773 -1.978 3.824 594 HA ALA 81 HA ALA 81 13.342 -3.153 3.385 595 HB1 ALA 81 HB1 ALA 81 12.645 -3.371 1.069 596 HB2 ALA 81 HB2 ALA 81 11.272 -2.304 1.360 597 HB3 ALA 81 HB3 ALA 81 11.348 -3.878 2.149 598 H LEU 82 HN LEU 82 11.962 0.010 2.794 599 HA LEU 82 HA LEU 82 14.187 0.908 1.245 600 HB2 LEU 82 HB2 LEU 82 12.097 2.482 2.712 601 HB3 LEU 82 HB1 LEU 82 13.305 3.182 1.664 602 HG LEU 82 HG LEU 82 11.086 1.321 0.854 603 HD11 LEU 82 HD11 LEU 82 11.616 4.228 0.306 604 HD12 LEU 82 HD12 LEU 82 10.375 3.576 1.376 605 HD13 LEU 82 HD13 LEU 82 10.289 3.281 -0.362 606 HD21 LEU 82 HD21 LEU 82 13.231 2.628 -0.824 607 HD22 LEU 82 HD22 LEU 82 11.859 1.697 -1.437 608 HD23 LEU 82 HD23 LEU 82 13.099 0.903 -0.475 609 H ALA 83 HN ALA 83 13.588 0.607 4.607 610 HA ALA 83 HA ALA 83 15.685 2.448 5.319 611 HB1 ALA 83 HB1 ALA 83 15.225 1.753 7.610 612 HB2 ALA 83 HB2 ALA 83 14.161 0.478 7.016 613 HB3 ALA 83 HB3 ALA 83 13.731 2.169 6.768 614 H GLU 84 HN GLU 84 15.788 -0.472 3.930 615 HA GLU 84 HA GLU 84 18.300 -1.113 5.300 616 HB2 GLU 84 HB2 GLU 84 16.563 -2.593 6.132 617 HB3 GLU 84 HB1 GLU 84 16.226 -3.130 4.491 618 HG2 GLU 84 HG2 GLU 84 18.439 -4.075 4.320 619 HG3 GLU 84 HG1 GLU 84 18.825 -3.448 5.922 620 H ALA 85 HN ALA 85 16.403 -1.683 2.321 621 HA ALA 85 HA ALA 85 18.885 -2.474 0.979 622 HB1 ALA 85 HB1 ALA 85 17.433 -3.428 -0.733 623 HB2 ALA 85 HB2 ALA 85 16.015 -2.791 0.100 624 HB3 ALA 85 HB3 ALA 85 17.001 -4.037 0.865 625 H ALA 86 HN ALA 86 17.969 0.350 1.587 626 HA ALA 86 HA ALA 86 18.276 1.347 -1.129 627 HB1 ALA 86 HB1 ALA 86 16.251 2.420 0.837 628 HB2 ALA 86 HB2 ALA 86 15.882 1.486 -0.614 629 HB3 ALA 86 HB3 ALA 86 16.605 3.089 -0.755 630 H282 PNS 87 H28A PNS 87 -7.769 -12.114 -5.433 631 H281 PNS 87 H28B PNS 87 -6.331 -11.257 -5.882 632 H303 PNS 87 H30A PNS 87 -7.202 -13.697 -8.559 633 H302 PNS 87 H30B PNS 87 -7.080 -11.980 -8.167 634 H301 PNS 87 H30C PNS 87 -8.367 -12.957 -7.460 635 H313 PNS 87 H31A PNS 87 -4.805 -13.999 -7.784 636 H312 PNS 87 H31B PNS 87 -4.349 -13.420 -6.182 637 H311 PNS 87 H31C PNS 87 -4.760 -12.267 -7.452 638 H32 PNS 87 H32A PNS 87 -6.011 -15.053 -5.355 639 H33 PNS 87 H33A PNS 87 -7.599 -16.020 -7.163 640 H36 PNS 87 H36A PNS 87 -7.650 -13.826 -3.967 641 H372 PNS 87 H37A PNS 87 -10.498 -14.423 -4.304 642 H371 PNS 87 H37B PNS 87 -9.663 -15.346 -3.080 643 H382 PNS 87 H38A PNS 87 -10.616 -13.604 -1.929 644 H381 PNS 87 H38B PNS 87 -8.890 -13.157 -2.045 645 H41 PNS 87 H41A PNS 87 -10.169 -11.199 -1.359 646 H422 PNS 87 H42A PNS 87 -10.003 -9.076 -2.993 647 H421 PNS 87 H42B PNS 87 -11.608 -9.700 -3.355 648 H431 PNS 87 H43A PNS 87 -10.623 -8.818 -0.657 649 H432 PNS 87 H43B PNS 87 -12.146 -9.627 -0.964 650 H44 PNS 87 H1 PNS 87 -12.699 -6.992 -0.521 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 20.207 10.477 3.015 2 H2 MET 1 HT2 MET 1 19.291 10.435 1.595 3 H3 MET 1 HT3 MET 1 19.987 9.016 2.181 4 HA MET 1 HA MET 1 18.579 9.070 4.096 5 HB2 MET 1 HB2 MET 1 17.312 11.440 2.677 6 HB3 MET 1 HB1 MET 1 16.645 10.627 4.081 7 HG2 MET 1 HG2 MET 1 19.235 12.152 3.975 8 HG3 MET 1 HG1 MET 1 17.725 12.711 4.689 9 HE1 MET 1 HE1 MET 1 20.043 12.118 7.798 10 HE2 MET 1 HE2 MET 1 19.017 13.276 6.957 11 HE3 MET 1 HE3 MET 1 20.518 12.724 6.211 12 H ALA 2 HN ALA 2 16.511 8.039 3.944 13 HA ALA 2 HA ALA 2 15.968 7.097 1.221 14 HB1 ALA 2 HB1 ALA 2 15.381 5.791 3.886 15 HB2 ALA 2 HB2 ALA 2 16.668 5.327 2.770 16 HB3 ALA 2 HB3 ALA 2 14.981 5.119 2.305 17 H THR 3 HN THR 3 14.156 7.851 0.363 18 HA THR 3 HA THR 3 12.365 9.373 1.956 19 HB THR 3 HB THR 3 12.818 10.118 -0.303 20 HG1 THR 3 HG1 THR 3 10.657 10.397 0.563 21 HG21 THR 3 HG21 THR 3 13.314 7.990 -1.405 22 HG22 THR 3 HG22 THR 3 12.099 8.882 -2.320 23 HG23 THR 3 HG23 THR 3 11.615 7.524 -1.303 24 H LEU 4 HN LEU 4 11.099 8.411 3.301 25 HA LEU 4 HA LEU 4 9.923 5.824 2.640 26 HB2 LEU 4 HB2 LEU 4 10.106 7.274 5.280 27 HB3 LEU 4 HB1 LEU 4 9.409 5.684 5.041 28 HG LEU 4 HG LEU 4 12.314 6.417 4.666 29 HD11 LEU 4 HD11 LEU 4 10.936 4.788 6.786 30 HD12 LEU 4 HD12 LEU 4 11.646 6.392 6.995 31 HD13 LEU 4 HD13 LEU 4 12.677 5.009 6.624 32 HD21 LEU 4 HD21 LEU 4 11.617 4.656 3.122 33 HD22 LEU 4 HD22 LEU 4 10.934 3.739 4.466 34 HD23 LEU 4 HD23 LEU 4 12.673 4.016 4.381 35 H LEU 5 HN LEU 5 7.821 5.659 2.320 36 HA LEU 5 HA LEU 5 6.308 8.053 2.071 37 HB2 LEU 5 HB2 LEU 5 4.621 6.774 1.039 38 HB3 LEU 5 HB1 LEU 5 6.113 6.026 0.555 39 HG LEU 5 HG LEU 5 4.209 4.972 2.641 40 HD11 LEU 5 HD11 LEU 5 3.281 4.845 0.427 41 HD12 LEU 5 HD12 LEU 5 3.719 3.238 0.998 42 HD13 LEU 5 HD13 LEU 5 4.749 4.070 -0.171 43 HD21 LEU 5 HD21 LEU 5 6.482 4.261 3.133 44 HD22 LEU 5 HD22 LEU 5 6.687 3.712 1.468 45 HD23 LEU 5 HD23 LEU 5 5.528 2.911 2.529 46 H THR 6 HN THR 6 4.716 8.804 3.290 47 HA THR 6 HA THR 6 4.312 7.542 5.878 48 HB THR 6 HB THR 6 3.377 9.765 6.567 49 HG1 THR 6 HG1 THR 6 4.138 10.463 3.901 50 HG21 THR 6 HG21 THR 6 5.736 9.255 6.999 51 HG22 THR 6 HG22 THR 6 5.526 10.967 6.629 52 HG23 THR 6 HG23 THR 6 6.167 9.873 5.404 53 H THR 7 HN THR 7 1.828 8.613 6.574 54 HA THR 7 HA THR 7 0.019 6.820 5.527 55 HB THR 7 HB THR 7 -0.592 9.543 6.694 56 HG1 THR 7 HG1 THR 7 -0.777 7.774 8.579 57 HG21 THR 7 HG21 THR 7 -2.154 6.948 6.689 58 HG22 THR 7 HG22 THR 7 -2.539 8.384 5.741 59 HG23 THR 7 HG23 THR 7 -2.642 8.436 7.501 60 H ASP 8 HN ASP 8 0.288 10.321 4.773 61 HA ASP 8 HA ASP 8 -1.772 10.354 2.862 62 HB2 ASP 8 HB2 ASP 8 -0.920 12.363 3.978 63 HB3 ASP 8 HB1 ASP 8 0.579 12.220 3.062 64 H ASP 9 HN ASP 9 1.687 9.853 2.522 65 HA ASP 9 HA ASP 9 1.850 9.949 -0.298 66 HB2 ASP 9 HB2 ASP 9 3.437 8.251 1.631 67 HB3 ASP 9 HB1 ASP 9 3.838 8.444 -0.070 68 H LEU 10 HN LEU 10 1.312 7.283 1.957 69 HA LEU 10 HA LEU 10 0.966 5.268 0.038 70 HB2 LEU 10 HB2 LEU 10 1.400 4.801 2.410 71 HB3 LEU 10 HB1 LEU 10 -0.164 5.469 2.832 72 HG LEU 10 HG LEU 10 -1.256 3.641 1.560 73 HD11 LEU 10 HD11 LEU 10 1.541 2.557 1.285 74 HD12 LEU 10 HD12 LEU 10 0.512 3.146 -0.022 75 HD13 LEU 10 HD13 LEU 10 0.057 1.697 0.874 76 HD21 LEU 10 HD21 LEU 10 -0.772 1.869 3.178 77 HD22 LEU 10 HD22 LEU 10 -0.927 3.440 3.963 78 HD23 LEU 10 HD23 LEU 10 0.670 2.742 3.695 79 H ARG 11 HN ARG 11 -1.331 7.437 1.643 80 HA ARG 11 HA ARG 11 -3.728 6.444 0.678 81 HB2 ARG 11 HB2 ARG 11 -3.682 8.282 2.291 82 HB3 ARG 11 HB1 ARG 11 -2.993 9.355 1.076 83 HG2 ARG 11 HG2 ARG 11 -5.052 9.089 -0.276 84 HG3 ARG 11 HG1 ARG 11 -5.736 8.105 1.014 85 HD2 ARG 11 HD2 ARG 11 -6.564 10.390 1.126 86 HD3 ARG 11 HD1 ARG 11 -5.587 10.009 2.540 87 HE ARG 11 HE ARG 11 -3.861 11.381 1.696 88 HH11 ARG 11 HH11 ARG 11 -6.775 11.576 -0.373 89 HH12 ARG 11 HH12 ARG 11 -6.378 13.128 -0.946 90 HH21 ARG 11 HH21 ARG 11 -3.387 13.442 0.858 91 HH22 ARG 11 HH22 ARG 11 -4.448 14.224 -0.264 92 H ARG 12 HN ARG 12 -1.655 8.889 -0.823 93 HA ARG 12 HA ARG 12 -3.233 9.361 -3.087 94 HB2 ARG 12 HB2 ARG 12 -0.219 9.474 -2.957 95 HB3 ARG 12 HB1 ARG 12 -1.229 10.265 -4.153 96 HG2 ARG 12 HG2 ARG 12 -2.206 11.647 -2.337 97 HG3 ARG 12 HG1 ARG 12 -1.063 10.897 -1.214 98 HD2 ARG 12 HD2 ARG 12 0.772 11.651 -2.755 99 HD3 ARG 12 HD1 ARG 12 -0.442 12.583 -3.620 100 HE ARG 12 HE ARG 12 -0.096 13.038 -0.750 101 HH11 ARG 12 HH11 ARG 12 0.091 14.309 -4.052 102 HH12 ARG 12 HH12 ARG 12 0.737 15.810 -3.602 103 HH21 ARG 12 HH21 ARG 12 0.849 15.092 -0.136 104 HH22 ARG 12 HH22 ARG 12 1.108 16.310 -1.300 105 H ALA 13 HN ALA 13 -0.550 7.108 -2.642 106 HA ALA 13 HA ALA 13 -0.582 6.082 -5.278 107 HB1 ALA 13 HB1 ALA 13 0.936 4.396 -4.430 108 HB2 ALA 13 HB2 ALA 13 0.532 4.848 -2.774 109 HB3 ALA 13 HB3 ALA 13 1.373 5.994 -3.822 110 H LEU 14 HN LEU 14 -2.263 5.162 -2.364 111 HA LEU 14 HA LEU 14 -3.113 2.659 -3.457 112 HB2 LEU 14 HB2 LEU 14 -2.625 2.819 -1.172 113 HB3 LEU 14 HB1 LEU 14 -3.800 4.097 -0.900 114 HG LEU 14 HG LEU 14 -5.612 2.448 -1.371 115 HD11 LEU 14 HD11 LEU 14 -5.084 0.070 -1.425 116 HD12 LEU 14 HD12 LEU 14 -3.361 0.444 -1.414 117 HD13 LEU 14 HD13 LEU 14 -4.356 0.912 -2.793 118 HD21 LEU 14 HD21 LEU 14 -5.421 1.264 0.741 119 HD22 LEU 14 HD22 LEU 14 -4.867 2.928 0.915 120 HD23 LEU 14 HD23 LEU 14 -3.695 1.619 0.803 121 H VAL 15 HN VAL 15 -4.537 5.877 -3.060 122 HA VAL 15 HA VAL 15 -7.086 4.972 -4.032 123 HB VAL 15 HB VAL 15 -6.028 7.837 -4.012 124 HG11 VAL 15 HG11 VAL 15 -8.383 8.506 -4.105 125 HG12 VAL 15 HG12 VAL 15 -8.859 6.811 -4.213 126 HG13 VAL 15 HG13 VAL 15 -7.927 7.549 -5.516 127 HG21 VAL 15 HG21 VAL 15 -7.762 6.446 -1.974 128 HG22 VAL 15 HG22 VAL 15 -7.296 8.149 -1.955 129 HG23 VAL 15 HG23 VAL 15 -6.072 6.900 -1.755 130 H GLU 16 HN GLU 16 -4.113 5.922 -5.391 131 HA GLU 16 HA GLU 16 -4.790 6.672 -7.980 132 HB2 GLU 16 HB2 GLU 16 -2.523 6.742 -6.818 133 HB3 GLU 16 HB1 GLU 16 -2.373 5.039 -7.203 134 HG2 GLU 16 HG2 GLU 16 -1.156 6.236 -8.823 135 HG3 GLU 16 HG1 GLU 16 -2.625 5.660 -9.610 136 H SER 17 HN SER 17 -4.418 3.456 -6.522 137 HA SER 17 HA SER 17 -4.706 2.048 -9.008 138 HB2 SER 17 HB2 SER 17 -4.966 0.937 -6.203 139 HB3 SER 17 HB1 SER 17 -4.614 0.051 -7.680 140 HG SER 17 HG SER 17 -2.921 0.788 -6.086 141 H ALA 18 HN ALA 18 -6.895 3.585 -6.961 142 HA ALA 18 HA ALA 18 -9.107 1.792 -7.654 143 HB1 ALA 18 HB1 ALA 18 -10.411 3.061 -6.007 144 HB2 ALA 18 HB2 ALA 18 -9.038 4.136 -5.740 145 HB3 ALA 18 HB3 ALA 18 -8.927 2.434 -5.291 146 H GLY 19 HN GLY 19 -7.823 4.976 -8.122 147 HA2 GLY 19 HA2 GLY 19 -8.161 6.356 -9.936 148 HA3 GLY 19 HA1 GLY 19 -9.487 5.320 -10.462 149 H GLU 20 HN GLU 20 -10.646 7.309 -10.806 150 HA GLU 20 HA GLU 20 -11.456 8.633 -8.367 151 HB2 GLU 20 HB2 GLU 20 -12.115 9.296 -11.243 152 HB3 GLU 20 HB1 GLU 20 -12.615 10.238 -9.846 153 HG2 GLU 20 HG2 GLU 20 -9.772 9.740 -10.692 154 HG3 GLU 20 HG1 GLU 20 -10.691 11.216 -10.986 155 H THR 21 HN THR 21 -12.386 6.673 -7.693 156 HA THR 21 HA THR 21 -15.150 6.353 -8.590 157 HB THR 21 HB THR 21 -14.837 3.948 -7.733 158 HG1 THR 21 HG1 THR 21 -12.178 3.851 -8.107 159 HG21 THR 21 HG21 THR 21 -14.813 4.440 -10.140 160 HG22 THR 21 HG22 THR 21 -13.668 3.156 -9.749 161 HG23 THR 21 HG23 THR 21 -13.088 4.796 -10.053 162 H ASP 22 HN ASP 22 -15.276 4.530 -6.053 163 HA ASP 22 HA ASP 22 -15.750 6.681 -4.193 164 HB2 ASP 22 HB2 ASP 22 -15.927 3.664 -3.868 165 HB3 ASP 22 HB1 ASP 22 -16.287 4.806 -2.586 166 H GLY 23 HN GLY 23 -13.817 3.691 -4.139 167 HA2 GLY 23 HA2 GLY 23 -11.645 3.361 -3.471 168 HA3 GLY 23 HA1 GLY 23 -11.499 5.089 -3.148 169 H THR 24 HN THR 24 -14.265 4.038 -1.819 170 HA THR 24 HA THR 24 -15.053 3.884 0.285 171 HB THR 24 HB THR 24 -12.463 2.419 0.931 172 HG1 THR 24 HG1 THR 24 -13.096 1.129 -0.605 173 HG21 THR 24 HG21 THR 24 -13.888 1.126 2.453 174 HG22 THR 24 HG22 THR 24 -15.295 2.087 1.975 175 HG23 THR 24 HG23 THR 24 -13.953 2.843 2.844 176 H ASP 25 HN ASP 25 -13.803 6.215 -0.437 177 HA ASP 25 HA ASP 25 -13.067 8.205 0.285 178 HB2 ASP 25 HB2 ASP 25 -13.385 6.956 3.028 179 HB3 ASP 25 HB1 ASP 25 -12.836 8.608 2.804 180 H LEU 26 HN LEU 26 -11.525 5.984 2.504 181 HA LEU 26 HA LEU 26 -9.407 5.323 2.873 182 HB2 LEU 26 HB2 LEU 26 -9.773 4.985 0.309 183 HB3 LEU 26 HB1 LEU 26 -8.661 6.329 0.156 184 HG LEU 26 HG LEU 26 -6.918 5.039 1.284 185 HD11 LEU 26 HD11 LEU 26 -7.321 2.669 1.816 186 HD12 LEU 26 HD12 LEU 26 -9.021 2.861 1.375 187 HD13 LEU 26 HD13 LEU 26 -8.370 3.722 2.764 188 HD21 LEU 26 HD21 LEU 26 -8.298 3.551 -0.946 189 HD22 LEU 26 HD22 LEU 26 -6.620 3.341 -0.446 190 HD23 LEU 26 HD23 LEU 26 -7.143 4.873 -1.136 191 H SER 27 HN SER 27 -10.234 7.941 3.540 192 HA SER 27 HA SER 27 -7.734 9.458 3.359 193 HB2 SER 27 HB2 SER 27 -10.544 10.488 3.747 194 HB3 SER 27 HB1 SER 27 -9.088 11.469 3.550 195 HG SER 27 HG SER 27 -9.595 9.562 1.606 196 H GLY 28 HN GLY 28 -7.385 10.858 5.339 197 HA2 GLY 28 HA2 GLY 28 -7.171 11.051 7.616 198 HA3 GLY 28 HA1 GLY 28 -8.583 10.006 7.801 199 H ASP 29 HN ASP 29 -7.842 8.488 9.200 200 HA ASP 29 HA ASP 29 -5.387 7.106 8.421 201 HB2 ASP 29 HB2 ASP 29 -5.695 7.717 10.843 202 HB3 ASP 29 HB1 ASP 29 -7.072 6.615 10.891 203 H PHE 30 HN PHE 30 -5.544 5.384 7.294 204 HA PHE 30 HA PHE 30 -8.054 3.856 7.314 205 HB2 PHE 30 HB2 PHE 30 -7.614 3.401 4.889 206 HB3 PHE 30 HB1 PHE 30 -7.938 5.096 5.238 207 HD1 PHE 30 HD1 PHE 30 -6.153 6.758 5.077 208 HD2 PHE 30 HD2 PHE 30 -5.440 2.674 4.124 209 HE1 PHE 30 HE1 PHE 30 -4.055 7.385 3.969 210 HE2 PHE 30 HE2 PHE 30 -3.340 3.298 3.017 211 HZ PHE 30 HZ PHE 30 -2.645 5.652 2.937 212 H LEU 31 HN LEU 31 -5.315 3.647 8.669 213 HA LEU 31 HA LEU 31 -4.061 1.464 7.272 214 HB2 LEU 31 HB2 LEU 31 -3.292 2.823 9.862 215 HB3 LEU 31 HB1 LEU 31 -2.418 1.481 9.171 216 HG LEU 31 HG LEU 31 -1.214 3.462 8.703 217 HD11 LEU 31 HD11 LEU 31 -1.167 1.848 6.948 218 HD12 LEU 31 HD12 LEU 31 -1.104 3.477 6.273 219 HD13 LEU 31 HD13 LEU 31 -2.607 2.554 6.215 220 HD21 LEU 31 HD21 LEU 31 -3.702 4.576 7.430 221 HD22 LEU 31 HD22 LEU 31 -2.113 5.341 7.416 222 HD23 LEU 31 HD23 LEU 31 -2.975 5.127 8.941 223 H ASP 32 HN ASP 32 -6.290 1.802 9.839 224 HA ASP 32 HA ASP 32 -5.794 -0.927 10.766 225 HB2 ASP 32 HB2 ASP 32 -7.544 1.260 11.870 226 HB3 ASP 32 HB1 ASP 32 -7.663 -0.400 12.441 227 H LEU 33 HN LEU 33 -7.387 0.193 8.253 228 HA LEU 33 HA LEU 33 -9.719 -1.534 8.629 229 HB2 LEU 33 HB2 LEU 33 -9.160 0.583 6.535 230 HB3 LEU 33 HB1 LEU 33 -10.527 -0.502 6.461 231 HG LEU 33 HG LEU 33 -11.321 1.578 7.234 232 HD11 LEU 33 HD11 LEU 33 -12.349 -0.274 8.318 233 HD12 LEU 33 HD12 LEU 33 -12.229 1.082 9.441 234 HD13 LEU 33 HD13 LEU 33 -11.114 -0.276 9.579 235 HD21 LEU 33 HD21 LEU 33 -9.189 1.542 9.376 236 HD22 LEU 33 HD22 LEU 33 -10.473 2.743 9.229 237 HD23 LEU 33 HD23 LEU 33 -9.241 2.608 7.973 238 H ARG 34 HN ARG 34 -10.212 -3.137 7.064 239 HA ARG 34 HA ARG 34 -7.801 -4.232 5.889 240 HB2 ARG 34 HB2 ARG 34 -10.484 -5.329 6.529 241 HB3 ARG 34 HB1 ARG 34 -9.516 -6.119 5.296 242 HG2 ARG 34 HG2 ARG 34 -7.730 -6.468 6.897 243 HG3 ARG 34 HG1 ARG 34 -8.670 -5.620 8.134 244 HD2 ARG 34 HD2 ARG 34 -10.190 -7.294 8.333 245 HD3 ARG 34 HD1 ARG 34 -9.904 -7.930 6.707 246 HE ARG 34 HE ARG 34 -7.596 -8.227 8.238 247 HH11 ARG 34 HH11 ARG 34 -10.892 -9.484 8.489 248 HH12 ARG 34 HH12 ARG 34 -10.410 -11.090 8.805 249 HH21 ARG 34 HH21 ARG 34 -6.939 -10.439 8.536 250 HH22 ARG 34 HH22 ARG 34 -8.066 -11.660 8.861 251 H PHE 35 HN PHE 35 -7.525 -4.789 3.819 252 HA PHE 35 HA PHE 35 -8.541 -3.034 1.879 253 HB2 PHE 35 HB2 PHE 35 -6.973 -5.569 1.618 254 HB3 PHE 35 HB1 PHE 35 -7.461 -4.610 0.228 255 HD1 PHE 35 HD2 PHE 35 -6.802 -2.074 0.379 256 HD2 PHE 35 HD1 PHE 35 -4.939 -5.199 2.559 257 HE1 PHE 35 HE2 PHE 35 -4.766 -0.716 0.579 258 HE2 PHE 35 HE1 PHE 35 -2.905 -3.850 2.764 259 HZ PHE 35 HZ PHE 35 -2.815 -1.604 1.769 260 H GLU 36 HN GLU 36 -9.553 -6.225 2.816 261 HA GLU 36 HA GLU 36 -11.054 -6.620 0.473 262 HB2 GLU 36 HB2 GLU 36 -12.090 -8.574 1.705 263 HB3 GLU 36 HB1 GLU 36 -10.355 -8.615 1.491 264 HG2 GLU 36 HG2 GLU 36 -10.866 -9.430 3.666 265 HG3 GLU 36 HG1 GLU 36 -10.107 -7.854 3.845 266 H ASP 37 HN ASP 37 -11.739 -4.920 3.355 267 HA ASP 37 HA ASP 37 -14.562 -4.856 2.749 268 HB2 ASP 37 HB2 ASP 37 -13.859 -4.843 5.113 269 HB3 ASP 37 HB1 ASP 37 -13.028 -3.310 4.853 270 H ILE 38 HN ILE 38 -11.740 -2.989 2.096 271 HA ILE 38 HA ILE 38 -13.372 -0.730 1.300 272 HB ILE 38 HB ILE 38 -11.313 0.520 0.847 273 HG12 ILE 38 HG12 ILE 38 -9.858 -1.993 1.701 274 HG13 ILE 38 HG11 ILE 38 -9.928 -1.378 0.055 275 HG21 ILE 38 HG21 ILE 38 -10.436 0.607 3.147 276 HG22 ILE 38 HG22 ILE 38 -11.281 -0.902 3.508 277 HG23 ILE 38 HG23 ILE 38 -12.200 0.547 3.105 278 HD11 ILE 38 HD11 ILE 38 -8.717 0.625 0.758 279 HD12 ILE 38 HD12 ILE 38 -7.808 -0.844 1.108 280 HD13 ILE 38 HD13 ILE 38 -8.649 0.001 2.407 281 H GLY 39 HN GLY 39 -13.282 -3.346 -0.114 282 HA2 GLY 39 HA2 GLY 39 -13.778 -3.989 -2.261 283 HA3 GLY 39 HA1 GLY 39 -13.710 -2.297 -2.714 284 H TYR 40 HN TYR 40 -10.974 -4.066 -1.295 285 HA TYR 40 HA TYR 40 -9.666 -3.681 -3.853 286 HB2 TYR 40 HB2 TYR 40 -8.881 -3.069 -1.152 287 HB3 TYR 40 HB1 TYR 40 -7.684 -4.058 -1.987 288 HD1 TYR 40 HD1 TYR 40 -9.481 -0.843 -2.020 289 HD2 TYR 40 HD2 TYR 40 -6.490 -3.231 -3.850 290 HE1 TYR 40 HE1 TYR 40 -8.707 1.108 -3.313 291 HE2 TYR 40 HE2 TYR 40 -5.710 -1.310 -5.124 292 HH TYR 40 HH TYR 40 -6.559 1.815 -4.458 293 H ASP 41 HN ASP 41 -8.642 -5.224 -4.839 294 HA ASP 41 HA ASP 41 -8.842 -7.965 -3.808 295 HB2 ASP 41 HB2 ASP 41 -8.006 -6.920 -6.520 296 HB3 ASP 41 HB1 ASP 41 -7.945 -8.615 -6.071 297 H SER 42 HN SER 42 -6.935 -9.381 -4.210 298 HA SER 42 HA SER 42 -4.680 -8.440 -2.769 299 HB2 SER 42 HB2 SER 42 -4.719 -10.849 -4.583 300 HB3 SER 42 HB1 SER 42 -3.841 -10.631 -3.063 301 H LEU 43 HN LEU 43 -5.396 -9.098 -6.100 302 HA LEU 43 HA LEU 43 -2.860 -8.658 -7.246 303 HB2 LEU 43 HB2 LEU 43 -5.587 -8.349 -8.493 304 HB3 LEU 43 HB1 LEU 43 -4.076 -8.586 -9.350 305 HG LEU 43 HG LEU 43 -5.307 -10.602 -7.470 306 HD11 LEU 43 HD11 LEU 43 -5.249 -10.539 -10.472 307 HD12 LEU 43 HD12 LEU 43 -6.664 -10.309 -9.448 308 HD13 LEU 43 HD13 LEU 43 -5.838 -11.869 -9.474 309 HD21 LEU 43 HD21 LEU 43 -3.656 -12.135 -8.421 310 HD22 LEU 43 HD22 LEU 43 -2.879 -10.772 -7.610 311 HD23 LEU 43 HD23 LEU 43 -2.974 -10.814 -9.368 312 H ALA 44 HN ALA 44 -5.501 -6.567 -6.382 313 HA ALA 44 HA ALA 44 -4.524 -4.286 -7.791 314 HB1 ALA 44 HB1 ALA 44 -6.912 -4.586 -7.316 315 HB2 ALA 44 HB2 ALA 44 -6.297 -3.082 -6.631 316 HB3 ALA 44 HB3 ALA 44 -6.581 -4.473 -5.587 317 H LEU 45 HN LEU 45 -3.988 -5.732 -4.700 318 HA LEU 45 HA LEU 45 -2.819 -3.431 -3.449 319 HB2 LEU 45 HB2 LEU 45 -2.292 -6.322 -2.813 320 HB3 LEU 45 HB1 LEU 45 -2.014 -4.953 -1.767 321 HG LEU 45 HG LEU 45 -4.663 -6.084 -2.603 322 HD11 LEU 45 HD11 LEU 45 -4.932 -6.461 -0.204 323 HD12 LEU 45 HD12 LEU 45 -3.304 -5.832 0.061 324 HD13 LEU 45 HD13 LEU 45 -3.533 -7.321 -0.856 325 HD21 LEU 45 HD21 LEU 45 -4.777 -3.669 -2.598 326 HD22 LEU 45 HD22 LEU 45 -4.049 -3.633 -0.990 327 HD23 LEU 45 HD23 LEU 45 -5.652 -4.334 -1.218 328 H MET 46 HN MET 46 -1.709 -6.207 -5.207 329 HA MET 46 HA MET 46 1.070 -5.747 -5.104 330 HB2 MET 46 HB2 MET 46 -0.546 -7.000 -7.336 331 HB3 MET 46 HB1 MET 46 1.180 -7.190 -7.082 332 HG2 MET 46 HG2 MET 46 0.840 -8.485 -5.119 333 HG3 MET 46 HG1 MET 46 -0.871 -8.072 -5.072 334 HE1 MET 46 HE1 MET 46 -1.170 -11.835 -5.927 335 HE2 MET 46 HE2 MET 46 -1.764 -10.507 -4.927 336 HE3 MET 46 HE3 MET 46 -0.091 -11.046 -4.775 337 H GLU 47 HN GLU 47 -1.452 -4.760 -7.370 338 HA GLU 47 HA GLU 47 0.021 -3.271 -9.191 339 HB2 GLU 47 HB2 GLU 47 -2.379 -3.912 -9.397 340 HB3 GLU 47 HB1 GLU 47 -2.772 -2.727 -8.169 341 HG2 GLU 47 HG2 GLU 47 -3.274 -1.945 -10.420 342 HG3 GLU 47 HG1 GLU 47 -2.066 -0.939 -9.618 343 H THR 48 HN THR 48 -1.485 -2.282 -6.176 344 HA THR 48 HA THR 48 -0.774 0.423 -6.170 345 HB THR 48 HB THR 48 -1.236 -1.502 -3.880 346 HG1 THR 48 HG1 THR 48 -3.083 -1.393 -5.090 347 HG21 THR 48 HG21 THR 48 -1.772 0.488 -2.556 348 HG22 THR 48 HG22 THR 48 -1.337 1.528 -3.918 349 HG23 THR 48 HG23 THR 48 -0.102 0.547 -3.123 350 H ALA 49 HN ALA 49 0.805 -2.386 -4.613 351 HA ALA 49 HA ALA 49 3.014 -0.998 -3.630 352 HB1 ALA 49 HB1 ALA 49 2.830 -3.916 -4.396 353 HB2 ALA 49 HB2 ALA 49 2.400 -3.224 -2.824 354 HB3 ALA 49 HB3 ALA 49 4.072 -3.187 -3.375 355 H ALA 50 HN ALA 50 2.438 -2.509 -6.757 356 HA ALA 50 HA ALA 50 4.977 -2.495 -7.829 357 HB1 ALA 50 HB1 ALA 50 3.927 -2.534 -10.009 358 HB2 ALA 50 HB2 ALA 50 2.408 -1.973 -9.308 359 HB3 ALA 50 HB3 ALA 50 3.041 -3.564 -8.882 360 H ARG 51 HN ARG 51 2.642 0.187 -7.766 361 HA ARG 51 HA ARG 51 4.339 1.840 -9.361 362 HB2 ARG 51 HB2 ARG 51 2.833 3.649 -9.001 363 HB3 ARG 51 HB1 ARG 51 1.825 2.220 -9.044 364 HG2 ARG 51 HG2 ARG 51 1.729 2.267 -6.571 365 HG3 ARG 51 HG1 ARG 51 2.670 3.761 -6.597 366 HD2 ARG 51 HD2 ARG 51 0.421 4.457 -6.429 367 HD3 ARG 51 HD1 ARG 51 0.849 4.693 -8.122 368 HE ARG 51 HE ARG 51 -0.913 2.682 -6.987 369 HH11 ARG 51 HH11 ARG 51 0.369 4.253 -9.938 370 HH12 ARG 51 HH12 ARG 51 -0.643 3.341 -10.980 371 HH21 ARG 51 HH21 ARG 51 -2.294 1.532 -8.499 372 HH22 ARG 51 HH22 ARG 51 -2.117 1.819 -10.198 373 H LEU 52 HN LEU 52 4.017 1.216 -5.986 374 HA LEU 52 HA LEU 52 5.706 3.304 -5.069 375 HB2 LEU 52 HB2 LEU 52 4.931 0.682 -3.794 376 HB3 LEU 52 HB1 LEU 52 5.775 1.979 -2.974 377 HG LEU 52 HG LEU 52 2.994 2.195 -4.125 378 HD11 LEU 52 HD11 LEU 52 3.056 0.676 -2.224 379 HD12 LEU 52 HD12 LEU 52 2.252 2.187 -1.795 380 HD13 LEU 52 HD13 LEU 52 3.909 1.887 -1.271 381 HD21 LEU 52 HD21 LEU 52 4.191 4.315 -4.088 382 HD22 LEU 52 HD22 LEU 52 4.593 4.073 -2.389 383 HD23 LEU 52 HD23 LEU 52 2.913 4.298 -2.874 384 H GLU 53 HN GLU 53 6.162 -0.090 -5.893 385 HA GLU 53 HA GLU 53 8.871 -0.365 -5.298 386 HB2 GLU 53 HB2 GLU 53 7.247 -1.652 -7.498 387 HB3 GLU 53 HB1 GLU 53 8.869 -2.145 -7.050 388 HG2 GLU 53 HG2 GLU 53 8.077 -2.763 -4.829 389 HG3 GLU 53 HG1 GLU 53 6.447 -2.242 -5.265 390 H SER 54 HN SER 54 7.273 0.664 -8.237 391 HA SER 54 HA SER 54 9.563 1.063 -9.809 392 HB2 SER 54 HB2 SER 54 6.900 2.487 -9.999 393 HB3 SER 54 HB1 SER 54 8.101 2.349 -11.283 394 HG SER 54 HG SER 54 6.629 0.228 -10.070 395 H ARG 55 HN ARG 55 7.671 3.380 -7.856 396 HA ARG 55 HA ARG 55 9.277 5.613 -8.485 397 HB2 ARG 55 HB2 ARG 55 7.010 5.919 -7.701 398 HB3 ARG 55 HB1 ARG 55 7.395 5.112 -6.195 399 HG2 ARG 55 HG2 ARG 55 8.910 6.932 -5.588 400 HG3 ARG 55 HG1 ARG 55 8.510 7.755 -7.100 401 HD2 ARG 55 HD2 ARG 55 6.243 8.016 -6.438 402 HD3 ARG 55 HD1 ARG 55 6.470 6.965 -5.044 403 HE ARG 55 HE ARG 55 8.257 9.041 -4.754 404 HH11 ARG 55 HH11 ARG 55 4.754 8.865 -5.140 405 HH12 ARG 55 HH12 ARG 55 4.383 10.031 -3.960 406 HH21 ARG 55 HH21 ARG 55 7.806 10.673 -3.157 407 HH22 ARG 55 HH22 ARG 55 6.200 11.118 -2.802 408 H TYR 56 HN TYR 56 9.204 3.568 -5.552 409 HA TYR 56 HA TYR 56 11.323 5.157 -4.423 410 HB2 TYR 56 HB2 TYR 56 9.751 2.845 -3.299 411 HB3 TYR 56 HB1 TYR 56 11.021 3.687 -2.418 412 HD1 TYR 56 HD2 TYR 56 7.596 3.937 -3.731 413 HD2 TYR 56 HD1 TYR 56 10.662 5.940 -1.584 414 HE1 TYR 56 HE2 TYR 56 5.962 5.601 -2.968 415 HE2 TYR 56 HE1 TYR 56 9.038 7.611 -0.803 416 HH TYR 56 HH TYR 56 5.656 7.203 -1.187 417 H GLY 57 HN GLY 57 11.206 2.297 -6.274 418 HA2 GLY 57 HA2 GLY 57 12.992 1.110 -7.104 419 HA3 GLY 57 HA1 GLY 57 14.066 2.065 -6.086 420 H VAL 58 HN VAL 58 11.505 -0.352 -5.768 421 HA VAL 58 HA VAL 58 13.187 -1.846 -3.943 422 HB VAL 58 HB VAL 58 11.823 -0.264 -2.558 423 HG11 VAL 58 HG11 VAL 58 9.426 -0.606 -2.254 424 HG12 VAL 58 HG12 VAL 58 9.441 -1.730 -3.615 425 HG13 VAL 58 HG13 VAL 58 9.862 -0.036 -3.866 426 HG21 VAL 58 HG21 VAL 58 10.983 -1.862 -0.913 427 HG22 VAL 58 HG22 VAL 58 12.553 -2.360 -1.550 428 HG23 VAL 58 HG23 VAL 58 11.075 -3.147 -2.110 429 H SER 59 HN SER 59 12.062 -4.080 -3.489 430 HA SER 59 HA SER 59 10.352 -4.854 -5.732 431 HB2 SER 59 HB2 SER 59 12.770 -5.410 -6.175 432 HB3 SER 59 HB1 SER 59 12.770 -6.391 -4.717 433 HG SER 59 HG SER 59 10.718 -7.210 -6.271 434 H ILE 60 HN ILE 60 8.559 -5.781 -4.961 435 HA ILE 60 HA ILE 60 8.689 -7.238 -2.401 436 HB ILE 60 HB ILE 60 6.394 -5.523 -3.411 437 HG12 ILE 60 HG12 ILE 60 8.238 -5.126 -1.042 438 HG13 ILE 60 HG11 ILE 60 8.258 -4.190 -2.530 439 HG21 ILE 60 HG21 ILE 60 5.302 -6.028 -1.261 440 HG22 ILE 60 HG22 ILE 60 6.623 -7.127 -0.860 441 HG23 ILE 60 HG23 ILE 60 5.565 -7.483 -2.226 442 HD11 ILE 60 HD11 ILE 60 6.001 -4.302 -0.550 443 HD12 ILE 60 HD12 ILE 60 6.032 -3.354 -2.039 444 HD13 ILE 60 HD13 ILE 60 7.162 -2.989 -0.736 445 HA PRO 61 HA PRO 61 7.250 -10.623 -4.993 446 HB2 PRO 61 HB2 PRO 61 6.514 -11.727 -2.328 447 HB3 PRO 61 HB1 PRO 61 7.488 -12.453 -3.612 448 HG2 PRO 61 HG2 PRO 61 8.652 -11.525 -1.416 449 HG3 PRO 61 HG1 PRO 61 9.397 -11.286 -3.010 450 HD2 PRO 61 HD2 PRO 61 7.858 -9.347 -1.329 451 HD3 PRO 61 HD1 PRO 61 9.328 -9.088 -2.294 452 H ASP 62 HN ASP 62 5.297 -11.257 -5.722 453 HA ASP 62 HA ASP 62 3.075 -9.586 -5.346 454 HB2 ASP 62 HB2 ASP 62 3.101 -12.369 -6.534 455 HB3 ASP 62 HB1 ASP 62 1.776 -11.224 -6.656 456 H ASP 63 HN ASP 63 3.677 -12.851 -4.151 457 HA ASP 63 HA ASP 63 1.207 -13.395 -2.982 458 HB2 ASP 63 HB2 ASP 63 2.989 -15.091 -3.172 459 HB3 ASP 63 HB1 ASP 63 3.904 -14.256 -1.920 460 H VAL 64 HN VAL 64 3.945 -11.745 -1.663 461 HA VAL 64 HA VAL 64 3.085 -11.384 0.993 462 HB VAL 64 HB VAL 64 4.865 -9.653 -0.714 463 HG11 VAL 64 HG11 VAL 64 5.882 -8.949 1.445 464 HG12 VAL 64 HG12 VAL 64 4.673 -9.905 2.302 465 HG13 VAL 64 HG13 VAL 64 4.176 -8.510 1.343 466 HG21 VAL 64 HG21 VAL 64 5.560 -11.970 1.094 467 HG22 VAL 64 HG22 VAL 64 6.728 -10.929 0.282 468 HG23 VAL 64 HG23 VAL 64 5.648 -11.953 -0.668 469 H ALA 65 HN ALA 65 3.050 -9.154 -1.778 470 HA ALA 65 HA ALA 65 1.671 -7.047 -0.536 471 HB1 ALA 65 HB1 ALA 65 2.971 -6.803 -2.608 472 HB2 ALA 65 HB2 ALA 65 1.334 -6.166 -2.779 473 HB3 ALA 65 HB3 ALA 65 1.749 -7.731 -3.474 474 H GLY 66 HN GLY 66 0.471 -9.919 -2.116 475 HA2 GLY 66 HA2 GLY 66 -2.267 -8.952 -2.096 476 HA3 GLY 66 HA1 GLY 66 -1.735 -10.547 -2.597 477 H ARG 67 HN ARG 67 -0.316 -10.064 0.311 478 HA ARG 67 HA ARG 67 -2.573 -11.280 1.728 479 HB2 ARG 67 HB2 ARG 67 0.324 -11.982 1.774 480 HB3 ARG 67 HB1 ARG 67 -0.727 -12.388 3.121 481 HG2 ARG 67 HG2 ARG 67 -2.136 -13.707 1.685 482 HG3 ARG 67 HG1 ARG 67 -1.188 -13.230 0.271 483 HD2 ARG 67 HD2 ARG 67 -0.628 -15.475 1.173 484 HD3 ARG 67 HD1 ARG 67 0.733 -14.356 1.084 485 HE ARG 67 HE ARG 67 -0.730 -14.635 3.597 486 HH11 ARG 67 HH11 ARG 67 2.235 -15.164 1.685 487 HH12 ARG 67 HH12 ARG 67 3.210 -15.510 3.031 488 HH21 ARG 67 HH21 ARG 67 0.657 -15.086 5.480 489 HH22 ARG 67 HH22 ARG 67 2.302 -15.473 5.237 490 H VAL 68 HN VAL 68 -1.327 -8.462 1.600 491 HA VAL 68 HA VAL 68 -0.974 -8.141 4.457 492 HB VAL 68 HB VAL 68 -0.636 -5.686 3.939 493 HG11 VAL 68 HG11 VAL 68 1.571 -5.983 2.923 494 HG12 VAL 68 HG12 VAL 68 1.132 -7.629 2.472 495 HG13 VAL 68 HG13 VAL 68 1.246 -7.183 4.174 496 HG21 VAL 68 HG21 VAL 68 -1.890 -5.547 1.832 497 HG22 VAL 68 HG22 VAL 68 -0.718 -6.625 1.065 498 HG23 VAL 68 HG23 VAL 68 -0.216 -5.028 1.613 499 H ASP 69 HN ASP 69 -2.712 -8.273 5.578 500 HA ASP 69 HA ASP 69 -5.349 -8.024 4.735 501 HB2 ASP 69 HB2 ASP 69 -4.234 -7.660 7.521 502 HB3 ASP 69 HB1 ASP 69 -5.920 -7.937 7.137 503 H THR 70 HN THR 70 -3.371 -5.751 6.574 504 HA THR 70 HA THR 70 -5.306 -3.631 5.953 505 HB THR 70 HB THR 70 -4.413 -2.500 8.030 506 HG1 THR 70 HG1 THR 70 -3.001 -4.969 8.219 507 HG21 THR 70 HG21 THR 70 -6.540 -3.729 8.092 508 HG22 THR 70 HG22 THR 70 -5.672 -3.920 9.615 509 HG23 THR 70 HG23 THR 70 -5.676 -5.223 8.433 510 HA PRO 71 HA PRO 71 -2.326 -1.385 3.588 511 HB2 PRO 71 HB2 PRO 71 -3.090 1.055 5.093 512 HB3 PRO 71 HB1 PRO 71 -3.129 0.745 3.352 513 HG2 PRO 71 HG2 PRO 71 -5.380 0.787 4.742 514 HG3 PRO 71 HG1 PRO 71 -5.126 -0.437 3.479 515 HD2 PRO 71 HD2 PRO 71 -4.886 -0.705 6.450 516 HD3 PRO 71 HD1 PRO 71 -5.641 -1.805 5.278 517 H ARG 72 HN ARG 72 -2.252 -1.038 7.026 518 HA ARG 72 HA ARG 72 0.126 0.421 7.321 519 HB2 ARG 72 HB2 ARG 72 -1.417 0.097 9.145 520 HB3 ARG 72 HB1 ARG 72 -1.161 -1.636 9.099 521 HG2 ARG 72 HG2 ARG 72 1.096 -1.369 9.885 522 HG3 ARG 72 HG1 ARG 72 0.951 0.391 9.796 523 HD2 ARG 72 HD2 ARG 72 -0.748 -1.403 11.516 524 HD3 ARG 72 HD1 ARG 72 0.648 -0.478 12.084 525 HE ARG 72 HE ARG 72 -0.559 1.525 11.362 526 HH11 ARG 72 HH11 ARG 72 -2.536 -1.388 11.840 527 HH12 ARG 72 HH12 ARG 72 -3.851 -0.540 12.530 528 HH21 ARG 72 HH21 ARG 72 -2.478 2.693 12.183 529 HH22 ARG 72 HH22 ARG 72 -3.847 1.793 12.646 530 H GLU 73 HN GLU 73 -0.530 -2.978 6.889 531 HA GLU 73 HA GLU 73 2.085 -3.923 7.395 532 HB2 GLU 73 HB2 GLU 73 -0.197 -5.151 5.840 533 HB3 GLU 73 HB1 GLU 73 1.229 -6.014 6.420 534 HG2 GLU 73 HG2 GLU 73 0.618 -5.630 8.697 535 HG3 GLU 73 HG1 GLU 73 -0.703 -4.573 8.212 536 H LEU 74 HN LEU 74 0.319 -2.969 4.530 537 HA LEU 74 HA LEU 74 2.307 -3.627 2.583 538 HB2 LEU 74 HB2 LEU 74 -0.190 -3.246 2.212 539 HB3 LEU 74 HB1 LEU 74 0.108 -1.539 2.405 540 HG LEU 74 HG LEU 74 -0.226 -2.311 0.053 541 HD11 LEU 74 HD11 LEU 74 0.931 -0.216 0.433 542 HD12 LEU 74 HD12 LEU 74 1.620 -1.058 -0.957 543 HD13 LEU 74 HD13 LEU 74 2.466 -1.072 0.592 544 HD21 LEU 74 HD21 LEU 74 2.433 -3.671 0.442 545 HD22 LEU 74 HD22 LEU 74 1.602 -3.471 -1.100 546 HD23 LEU 74 HD23 LEU 74 0.877 -4.455 0.172 547 H LEU 75 HN LEU 75 1.514 -0.741 4.431 548 HA LEU 75 HA LEU 75 3.301 1.128 3.386 549 HB2 LEU 75 HB2 LEU 75 1.496 1.610 5.004 550 HB3 LEU 75 HB1 LEU 75 2.366 0.730 6.238 551 HG LEU 75 HG LEU 75 4.171 2.458 6.096 552 HD11 LEU 75 HD11 LEU 75 3.726 3.269 3.861 553 HD12 LEU 75 HD12 LEU 75 3.644 4.584 5.037 554 HD13 LEU 75 HD13 LEU 75 2.160 3.892 4.380 555 HD21 LEU 75 HD21 LEU 75 2.919 4.148 7.338 556 HD22 LEU 75 HD22 LEU 75 2.470 2.514 7.838 557 HD23 LEU 75 HD23 LEU 75 1.404 3.439 6.779 558 H ASP 76 HN ASP 76 3.679 -1.109 6.114 559 HA ASP 76 HA ASP 76 6.344 -0.547 6.712 560 HB2 ASP 76 HB2 ASP 76 4.625 -2.917 7.298 561 HB3 ASP 76 HB1 ASP 76 6.344 -2.979 7.652 562 H LEU 77 HN LEU 77 5.033 -2.752 4.350 563 HA LEU 77 HA LEU 77 7.343 -4.222 3.784 564 HB2 LEU 77 HB2 LEU 77 5.169 -3.346 1.891 565 HB3 LEU 77 HB1 LEU 77 6.384 -4.540 1.498 566 HG LEU 77 HG LEU 77 4.233 -4.789 3.586 567 HD11 LEU 77 HD11 LEU 77 4.665 -6.170 0.946 568 HD12 LEU 77 HD12 LEU 77 3.428 -4.966 1.308 569 HD13 LEU 77 HD13 LEU 77 3.389 -6.540 2.103 570 HD21 LEU 77 HD21 LEU 77 6.287 -5.919 4.301 571 HD22 LEU 77 HD22 LEU 77 6.366 -6.761 2.753 572 HD23 LEU 77 HD23 LEU 77 5.038 -7.086 3.866 573 H ILE 78 HN ILE 78 6.252 -1.142 2.506 574 HA ILE 78 HA ILE 78 8.481 -0.784 0.742 575 HB ILE 78 HB ILE 78 6.658 1.344 1.915 576 HG12 ILE 78 HG12 ILE 78 5.348 -0.426 0.762 577 HG13 ILE 78 HG11 ILE 78 5.262 1.126 -0.062 578 HG21 ILE 78 HG21 ILE 78 8.684 2.230 0.879 579 HG22 ILE 78 HG22 ILE 78 7.258 2.641 -0.070 580 HG23 ILE 78 HG23 ILE 78 8.327 1.342 -0.606 581 HD11 ILE 78 HD11 ILE 78 6.899 0.336 -1.695 582 HD12 ILE 78 HD12 ILE 78 5.472 -0.698 -1.640 583 HD13 ILE 78 HD13 ILE 78 6.970 -1.220 -0.868 584 H ASN 79 HN ASN 79 7.502 0.721 3.820 585 HA ASN 79 HA ASN 79 9.648 2.370 4.374 586 HB2 ASN 79 HB2 ASN 79 7.977 0.761 6.305 587 HB3 ASN 79 HB1 ASN 79 9.147 1.955 6.823 588 HD21 ASN 79 HD21 ASN 79 8.516 3.879 4.730 589 HD22 ASN 79 HD22 ASN 79 6.945 4.499 5.128 590 H GLY 80 HN GLY 80 9.331 -1.009 5.452 591 HA2 GLY 80 HA2 GLY 80 11.797 -1.090 6.808 592 HA3 GLY 80 HA1 GLY 80 10.839 -2.473 6.312 593 H ALA 81 HN ALA 81 10.903 -2.229 3.559 594 HA ALA 81 HA ALA 81 13.430 -3.396 3.071 595 HB1 ALA 81 HB1 ALA 81 11.405 -4.079 1.883 596 HB2 ALA 81 HB2 ALA 81 12.703 -3.631 0.772 597 HB3 ALA 81 HB3 ALA 81 11.365 -2.517 1.064 598 H LEU 82 HN LEU 82 12.163 -0.180 2.506 599 HA LEU 82 HA LEU 82 14.380 0.679 0.935 600 HB2 LEU 82 HB2 LEU 82 12.399 2.282 2.543 601 HB3 LEU 82 HB1 LEU 82 13.601 2.978 1.472 602 HG LEU 82 HG LEU 82 11.291 1.216 0.666 603 HD11 LEU 82 HD11 LEU 82 11.825 4.145 0.242 604 HD12 LEU 82 HD12 LEU 82 10.630 3.451 1.336 605 HD13 LEU 82 HD13 LEU 82 10.459 3.238 -0.408 606 HD21 LEU 82 HD21 LEU 82 11.970 1.727 -1.637 607 HD22 LEU 82 HD22 LEU 82 13.233 0.848 -0.774 608 HD23 LEU 82 HD23 LEU 82 13.387 2.583 -1.028 609 H ALA 83 HN ALA 83 13.557 0.895 4.360 610 HA ALA 83 HA ALA 83 15.811 2.400 5.136 611 HB1 ALA 83 HB1 ALA 83 13.781 2.221 6.504 612 HB2 ALA 83 HB2 ALA 83 15.224 1.765 7.413 613 HB3 ALA 83 HB3 ALA 83 14.139 0.520 6.800 614 H GLU 84 HN GLU 84 15.251 -1.040 4.803 615 HA GLU 84 HA GLU 84 17.670 -1.894 6.038 616 HB2 GLU 84 HB2 GLU 84 15.677 -3.348 5.701 617 HB3 GLU 84 HB1 GLU 84 15.984 -3.325 3.969 618 HG2 GLU 84 HG2 GLU 84 18.216 -4.340 4.446 619 HG3 GLU 84 HG1 GLU 84 17.699 -4.530 6.118 620 H ALA 85 HN ALA 85 17.018 -0.431 3.032 621 HA ALA 85 HA ALA 85 19.503 -1.445 1.854 622 HB1 ALA 85 HB1 ALA 85 17.496 -1.743 0.480 623 HB2 ALA 85 HB2 ALA 85 18.626 -0.628 -0.281 624 HB3 ALA 85 HB3 ALA 85 17.192 -0.007 0.543 625 H ALA 86 HN ALA 86 18.811 0.835 3.880 626 HA ALA 86 HA ALA 86 20.200 2.977 2.454 627 HB1 ALA 86 HB1 ALA 86 18.451 3.173 4.913 628 HB2 ALA 86 HB2 ALA 86 17.964 3.594 3.273 629 HB3 ALA 86 HB3 ALA 86 19.230 4.520 4.083 630 H282 PNS 87 H28A PNS 87 -7.625 -14.267 -4.650 631 H281 PNS 87 H28B PNS 87 -7.236 -13.317 -6.087 632 H303 PNS 87 H30A PNS 87 -6.085 -16.781 -6.779 633 H302 PNS 87 H30B PNS 87 -7.221 -15.523 -7.266 634 H301 PNS 87 H30C PNS 87 -7.453 -16.379 -5.741 635 H313 PNS 87 H31A PNS 87 -5.373 -13.932 -7.537 636 H312 PNS 87 H31B PNS 87 -4.188 -15.135 -7.033 637 H311 PNS 87 H31C PNS 87 -4.279 -13.584 -6.198 638 H32 PNS 87 H32A PNS 87 -4.505 -14.875 -3.976 639 H33 PNS 87 H33A PNS 87 -4.357 -17.329 -4.333 640 H36 PNS 87 H36A PNS 87 -7.035 -14.689 -3.184 641 H372 PNS 87 H37A PNS 87 -8.250 -17.099 -2.180 642 H371 PNS 87 H37B PNS 87 -7.444 -16.118 -0.956 643 H382 PNS 87 H38A PNS 87 -8.717 -14.166 -1.690 644 H381 PNS 87 H38B PNS 87 -9.646 -15.192 -2.789 645 H41 PNS 87 H41A PNS 87 -11.132 -13.879 -1.347 646 H422 PNS 87 H42A PNS 87 -12.938 -15.206 -0.084 647 H421 PNS 87 H42B PNS 87 -11.785 -14.994 1.250 648 H431 PNS 87 H43A PNS 87 -11.918 -12.623 1.015 649 H432 PNS 87 H43B PNS 87 -13.599 -13.194 1.036 650 H44 PNS 87 H1 PNS 87 -13.310 -11.105 -0.791 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 21.765 6.137 0.790 2 H2 MET 1 HT2 MET 1 20.672 6.174 -0.523 3 H3 MET 1 HT3 MET 1 20.655 4.884 0.564 4 HA MET 1 HA MET 1 19.872 6.237 2.309 5 HB2 MET 1 HB2 MET 1 19.835 8.393 0.172 6 HB3 MET 1 HB1 MET 1 19.099 8.539 1.759 7 HG2 MET 1 HG2 MET 1 21.253 8.421 2.821 8 HG3 MET 1 HG1 MET 1 22.032 8.109 1.273 9 HE1 MET 1 HE1 MET 1 22.240 9.916 -0.672 10 HE2 MET 1 HE2 MET 1 21.543 11.534 -0.582 11 HE3 MET 1 HE3 MET 1 20.488 10.123 -0.658 12 H ALA 2 HN ALA 2 17.562 6.616 2.474 13 HA ALA 2 HA ALA 2 16.070 5.901 0.065 14 HB1 ALA 2 HB1 ALA 2 15.650 4.714 2.811 15 HB2 ALA 2 HB2 ALA 2 16.308 3.870 1.410 16 HB3 ALA 2 HB3 ALA 2 14.634 4.423 1.401 17 H THR 3 HN THR 3 13.682 6.304 0.510 18 HA THR 3 HA THR 3 13.264 8.426 2.417 19 HB THR 3 HB THR 3 13.630 9.613 0.338 20 HG1 THR 3 HG1 THR 3 11.940 10.451 1.516 21 HG21 THR 3 HG21 THR 3 12.318 9.210 -1.722 22 HG22 THR 3 HG22 THR 3 11.558 7.815 -0.957 23 HG23 THR 3 HG23 THR 3 13.292 7.805 -1.286 24 H LEU 4 HN LEU 4 11.934 7.509 3.716 25 HA LEU 4 HA LEU 4 10.257 5.327 2.960 26 HB2 LEU 4 HB2 LEU 4 10.257 6.879 5.547 27 HB3 LEU 4 HB1 LEU 4 9.504 5.327 5.272 28 HG LEU 4 HG LEU 4 12.463 5.901 5.298 29 HD11 LEU 4 HD11 LEU 4 12.477 4.446 7.256 30 HD12 LEU 4 HD12 LEU 4 10.720 4.310 7.168 31 HD13 LEU 4 HD13 LEU 4 11.469 5.872 7.505 32 HD21 LEU 4 HD21 LEU 4 12.765 3.491 5.025 33 HD22 LEU 4 HD22 LEU 4 11.946 4.200 3.634 34 HD23 LEU 4 HD23 LEU 4 11.023 3.294 4.833 35 H LEU 5 HN LEU 5 8.240 5.364 2.294 36 HA LEU 5 HA LEU 5 6.925 7.835 1.987 37 HB2 LEU 5 HB2 LEU 5 4.946 6.405 1.222 38 HB3 LEU 5 HB1 LEU 5 6.390 6.417 0.252 39 HG LEU 5 HG LEU 5 6.964 4.160 1.095 40 HD11 LEU 5 HD11 LEU 5 5.343 2.856 2.337 41 HD12 LEU 5 HD12 LEU 5 4.296 4.267 2.484 42 HD13 LEU 5 HD13 LEU 5 5.867 4.247 3.284 43 HD21 LEU 5 HD21 LEU 5 5.706 4.425 -0.940 44 HD22 LEU 5 HD22 LEU 5 4.197 4.432 -0.027 45 HD23 LEU 5 HD23 LEU 5 5.196 2.980 -0.069 46 H THR 6 HN THR 6 5.025 8.536 2.829 47 HA THR 6 HA THR 6 4.718 7.688 5.573 48 HB THR 6 HB THR 6 3.694 9.959 5.901 49 HG1 THR 6 HG1 THR 6 4.469 10.250 3.147 50 HG21 THR 6 HG21 THR 6 6.046 9.546 6.456 51 HG22 THR 6 HG22 THR 6 5.831 11.177 5.825 52 HG23 THR 6 HG23 THR 6 6.509 9.914 4.795 53 H THR 7 HN THR 7 2.309 8.824 6.125 54 HA THR 7 HA THR 7 0.540 6.777 5.415 55 HB THR 7 HB THR 7 0.027 9.490 6.659 56 HG1 THR 7 HG1 THR 7 1.504 7.360 7.515 57 HG21 THR 7 HG21 THR 7 -1.415 6.841 6.932 58 HG22 THR 7 HG22 THR 7 -2.014 8.248 6.054 59 HG23 THR 7 HG23 THR 7 -1.820 8.319 7.808 60 H ASP 8 HN ASP 8 0.785 10.219 4.562 61 HA ASP 8 HA ASP 8 -1.471 10.328 2.854 62 HB2 ASP 8 HB2 ASP 8 1.010 12.053 2.802 63 HB3 ASP 8 HB1 ASP 8 -0.465 12.390 1.905 64 H ASP 9 HN ASP 9 1.805 9.350 2.307 65 HA ASP 9 HA ASP 9 1.744 9.442 -0.533 66 HB2 ASP 9 HB2 ASP 9 3.457 7.737 1.275 67 HB3 ASP 9 HB1 ASP 9 3.656 7.852 -0.467 68 H LEU 10 HN LEU 10 1.284 6.801 1.770 69 HA LEU 10 HA LEU 10 0.665 4.884 -0.198 70 HB2 LEU 10 HB2 LEU 10 1.322 4.303 2.118 71 HB3 LEU 10 HB1 LEU 10 -0.213 4.929 2.691 72 HG LEU 10 HG LEU 10 -1.377 3.183 1.343 73 HD11 LEU 10 HD11 LEU 10 -0.102 1.290 0.493 74 HD12 LEU 10 HD12 LEU 10 1.400 2.125 0.889 75 HD13 LEU 10 HD13 LEU 10 0.317 2.791 -0.333 76 HD21 LEU 10 HD21 LEU 10 -0.948 2.853 3.717 77 HD22 LEU 10 HD22 LEU 10 0.633 2.163 3.342 78 HD23 LEU 10 HD23 LEU 10 -0.837 1.330 2.835 79 H ARG 11 HN ARG 11 -1.285 7.172 1.616 80 HA ARG 11 HA ARG 11 -3.849 6.332 0.948 81 HB2 ARG 11 HB2 ARG 11 -3.354 8.215 2.512 82 HB3 ARG 11 HB1 ARG 11 -2.901 9.211 1.133 83 HG2 ARG 11 HG2 ARG 11 -5.203 8.917 0.243 84 HG3 ARG 11 HG1 ARG 11 -5.621 8.077 1.737 85 HD2 ARG 11 HD2 ARG 11 -4.986 10.128 2.994 86 HD3 ARG 11 HD1 ARG 11 -4.728 10.947 1.446 87 HE ARG 11 HE ARG 11 -7.282 9.677 1.831 88 HH11 ARG 11 HH11 ARG 11 -5.524 12.773 1.991 89 HH12 ARG 11 HH12 ARG 11 -6.947 13.712 1.885 90 HH21 ARG 11 HH21 ARG 11 -9.209 11.013 1.680 91 HH22 ARG 11 HH22 ARG 11 -9.094 12.691 1.727 92 H ARG 12 HN ARG 12 -1.850 8.727 -0.716 93 HA ARG 12 HA ARG 12 -3.549 9.145 -2.893 94 HB2 ARG 12 HB2 ARG 12 -0.559 9.502 -2.704 95 HB3 ARG 12 HB1 ARG 12 -1.564 10.119 -4.008 96 HG2 ARG 12 HG2 ARG 12 -2.778 11.518 -2.436 97 HG3 ARG 12 HG1 ARG 12 -1.816 10.870 -1.107 98 HD2 ARG 12 HD2 ARG 12 -0.750 12.414 -3.462 99 HD3 ARG 12 HD1 ARG 12 -1.028 13.073 -1.854 100 HE ARG 12 HE ARG 12 0.608 11.208 -1.182 101 HH11 ARG 12 HH11 ARG 12 0.783 13.198 -4.119 102 HH12 ARG 12 HH12 ARG 12 2.473 13.068 -4.278 103 HH21 ARG 12 HH21 ARG 12 3.067 11.136 -1.378 104 HH22 ARG 12 HH22 ARG 12 3.743 11.915 -2.703 105 H ALA 13 HN ALA 13 -0.879 6.887 -2.480 106 HA ALA 13 HA ALA 13 -0.842 5.961 -5.148 107 HB1 ALA 13 HB1 ALA 13 0.101 4.563 -2.657 108 HB2 ALA 13 HB2 ALA 13 1.044 5.702 -3.617 109 HB3 ALA 13 HB3 ALA 13 0.546 4.159 -4.313 110 H LEU 14 HN LEU 14 -2.756 5.068 -2.380 111 HA LEU 14 HA LEU 14 -3.737 2.666 -3.638 112 HB2 LEU 14 HB2 LEU 14 -3.315 2.852 -1.241 113 HB3 LEU 14 HB1 LEU 14 -4.601 4.034 -1.090 114 HG LEU 14 HG LEU 14 -6.229 2.285 -1.802 115 HD11 LEU 14 HD11 LEU 14 -3.844 0.445 -1.607 116 HD12 LEU 14 HD12 LEU 14 -4.715 0.869 -3.080 117 HD13 LEU 14 HD13 LEU 14 -5.523 -0.057 -1.816 118 HD21 LEU 14 HD21 LEU 14 -4.527 1.566 0.585 119 HD22 LEU 14 HD22 LEU 14 -6.187 1.039 0.301 120 HD23 LEU 14 HD23 LEU 14 -5.836 2.746 0.565 121 H VAL 15 HN VAL 15 -4.678 5.993 -3.345 122 HA VAL 15 HA VAL 15 -7.347 5.564 -4.336 123 HB VAL 15 HB VAL 15 -5.711 8.145 -4.346 124 HG11 VAL 15 HG11 VAL 15 -7.857 9.296 -4.559 125 HG12 VAL 15 HG12 VAL 15 -8.683 7.743 -4.653 126 HG13 VAL 15 HG13 VAL 15 -7.566 8.225 -5.928 127 HG21 VAL 15 HG21 VAL 15 -7.755 7.162 -2.366 128 HG22 VAL 15 HG22 VAL 15 -7.015 8.762 -2.363 129 HG23 VAL 15 HG23 VAL 15 -6.022 7.330 -2.086 130 H GLU 16 HN GLU 16 -4.220 6.012 -5.605 131 HA GLU 16 HA GLU 16 -4.678 6.736 -8.273 132 HB2 GLU 16 HB2 GLU 16 -2.496 6.644 -6.992 133 HB3 GLU 16 HB1 GLU 16 -2.511 4.910 -7.244 134 HG2 GLU 16 HG2 GLU 16 -1.075 5.820 -8.860 135 HG3 GLU 16 HG1 GLU 16 -2.560 5.383 -9.706 136 H SER 17 HN SER 17 -4.597 3.544 -6.658 137 HA SER 17 HA SER 17 -4.929 2.047 -9.040 138 HB2 SER 17 HB2 SER 17 -5.436 0.302 -7.138 139 HB3 SER 17 HB1 SER 17 -3.798 0.906 -7.416 140 HG SER 17 HG SER 17 -5.589 1.465 -5.351 141 H ALA 18 HN ALA 18 -7.018 3.664 -6.864 142 HA ALA 18 HA ALA 18 -9.327 2.042 -7.292 143 HB1 ALA 18 HB1 ALA 18 -9.123 4.839 -6.186 144 HB2 ALA 18 HB2 ALA 18 -9.033 3.347 -5.246 145 HB3 ALA 18 HB3 ALA 18 -10.527 3.776 -6.077 146 H GLY 19 HN GLY 19 -7.739 4.297 -9.168 147 HA2 GLY 19 HA2 GLY 19 -8.312 4.647 -11.416 148 HA3 GLY 19 HA1 GLY 19 -9.984 4.255 -11.026 149 H GLU 20 HN GLU 20 -10.812 5.863 -9.252 150 HA GLU 20 HA GLU 20 -10.171 8.522 -10.282 151 HB2 GLU 20 HB2 GLU 20 -12.445 7.738 -10.927 152 HB3 GLU 20 HB1 GLU 20 -12.841 7.542 -9.231 153 HG2 GLU 20 HG2 GLU 20 -13.775 9.595 -10.239 154 HG3 GLU 20 HG1 GLU 20 -12.723 9.909 -8.863 155 H THR 21 HN THR 21 -10.476 10.237 -8.760 156 HA THR 21 HA THR 21 -8.986 9.775 -6.382 157 HB THR 21 HB THR 21 -10.415 12.278 -7.084 158 HG1 THR 21 HG1 THR 21 -9.550 11.803 -9.055 159 HG21 THR 21 HG21 THR 21 -9.004 12.273 -5.081 160 HG22 THR 21 HG22 THR 21 -8.291 13.313 -6.316 161 HG23 THR 21 HG23 THR 21 -7.633 11.700 -6.033 162 H ASP 22 HN ASP 22 -11.158 8.337 -5.884 163 HA ASP 22 HA ASP 22 -13.169 9.867 -4.420 164 HB2 ASP 22 HB2 ASP 22 -13.914 7.842 -5.605 165 HB3 ASP 22 HB1 ASP 22 -12.854 6.857 -4.600 166 H GLY 23 HN GLY 23 -11.012 7.181 -3.482 167 HA2 GLY 23 HA2 GLY 23 -9.657 7.027 -1.623 168 HA3 GLY 23 HA1 GLY 23 -10.173 8.640 -1.127 169 H THR 24 HN THR 24 -11.505 5.450 -1.664 170 HA THR 24 HA THR 24 -13.870 5.343 -0.419 171 HB THR 24 HB THR 24 -11.814 3.146 -0.204 172 HG1 THR 24 HG1 THR 24 -12.640 2.662 -2.398 173 HG21 THR 24 HG21 THR 24 -13.752 1.694 -0.656 174 HG22 THR 24 HG22 THR 24 -14.798 3.117 -0.735 175 HG23 THR 24 HG23 THR 24 -14.027 2.673 0.784 176 H ASP 25 HN ASP 25 -13.576 6.837 1.478 177 HA ASP 25 HA ASP 25 -13.544 7.305 3.701 178 HB2 ASP 25 HB2 ASP 25 -13.531 4.285 3.982 179 HB3 ASP 25 HB1 ASP 25 -13.578 5.362 5.370 180 H LEU 26 HN LEU 26 -11.112 6.813 2.097 181 HA LEU 26 HA LEU 26 -9.000 5.941 3.875 182 HB2 LEU 26 HB2 LEU 26 -9.211 6.763 1.067 183 HB3 LEU 26 HB1 LEU 26 -7.701 7.188 1.833 184 HG LEU 26 HG LEU 26 -7.339 4.790 2.370 185 HD11 LEU 26 HD11 LEU 26 -9.790 4.335 0.696 186 HD12 LEU 26 HD12 LEU 26 -9.638 4.031 2.425 187 HD13 LEU 26 HD13 LEU 26 -8.684 3.091 1.278 188 HD21 LEU 26 HD21 LEU 26 -7.807 5.426 -0.533 189 HD22 LEU 26 HD22 LEU 26 -6.812 4.108 0.086 190 HD23 LEU 26 HD23 LEU 26 -6.351 5.782 0.395 191 H SER 27 HN SER 27 -10.519 8.404 4.672 192 HA SER 27 HA SER 27 -8.710 10.576 4.180 193 HB2 SER 27 HB2 SER 27 -11.118 10.482 5.993 194 HB3 SER 27 HB1 SER 27 -10.309 11.933 5.384 195 HG SER 27 HG SER 27 -12.240 11.235 4.175 196 H GLY 28 HN GLY 28 -6.797 9.865 5.103 197 HA2 GLY 28 HA2 GLY 28 -5.205 10.205 6.761 198 HA3 GLY 28 HA1 GLY 28 -6.494 10.612 7.881 199 H ASP 29 HN ASP 29 -7.882 8.720 8.473 200 HA ASP 29 HA ASP 29 -6.108 6.618 9.407 201 HB2 ASP 29 HB2 ASP 29 -7.654 7.684 11.020 202 HB3 ASP 29 HB1 ASP 29 -9.023 7.125 10.065 203 H PHE 30 HN PHE 30 -5.757 5.453 7.572 204 HA PHE 30 HA PHE 30 -8.085 3.860 6.742 205 HB2 PHE 30 HB2 PHE 30 -7.384 3.867 4.426 206 HB3 PHE 30 HB1 PHE 30 -7.539 5.520 4.997 207 HD1 PHE 30 HD1 PHE 30 -5.499 6.845 5.488 208 HD2 PHE 30 HD2 PHE 30 -5.321 3.035 3.617 209 HE1 PHE 30 HE1 PHE 30 -3.232 7.344 4.696 210 HE2 PHE 30 HE2 PHE 30 -3.057 3.531 2.822 211 HZ PHE 30 HZ PHE 30 -1.981 5.619 3.412 212 H LEU 31 HN LEU 31 -5.174 3.713 8.230 213 HA LEU 31 HA LEU 31 -4.092 1.387 6.889 214 HB2 LEU 31 HB2 LEU 31 -3.317 2.583 9.565 215 HB3 LEU 31 HB1 LEU 31 -2.461 1.301 8.754 216 HG LEU 31 HG LEU 31 -1.180 3.227 8.477 217 HD11 LEU 31 HD11 LEU 31 -2.688 2.825 5.928 218 HD12 LEU 31 HD12 LEU 31 -1.278 1.925 6.483 219 HD13 LEU 31 HD13 LEU 31 -1.132 3.637 6.083 220 HD21 LEU 31 HD21 LEU 31 -2.008 5.353 7.580 221 HD22 LEU 31 HD22 LEU 31 -2.813 4.899 9.087 222 HD23 LEU 31 HD23 LEU 31 -3.644 4.686 7.544 223 H ASP 32 HN ASP 32 -6.133 2.157 9.458 224 HA ASP 32 HA ASP 32 -6.226 -0.410 10.743 225 HB2 ASP 32 HB2 ASP 32 -6.690 1.643 11.973 226 HB3 ASP 32 HB1 ASP 32 -8.018 2.023 10.888 227 H LEU 33 HN LEU 33 -7.893 1.230 8.197 228 HA LEU 33 HA LEU 33 -10.209 -0.435 8.119 229 HB2 LEU 33 HB2 LEU 33 -9.041 1.264 5.917 230 HB3 LEU 33 HB1 LEU 33 -10.682 0.659 6.013 231 HG LEU 33 HG LEU 33 -9.430 2.786 7.740 232 HD11 LEU 33 HD11 LEU 33 -11.099 4.232 6.698 233 HD12 LEU 33 HD12 LEU 33 -11.624 2.886 5.690 234 HD13 LEU 33 HD13 LEU 33 -9.991 3.534 5.516 235 HD21 LEU 33 HD21 LEU 33 -12.221 1.642 7.854 236 HD22 LEU 33 HD22 LEU 33 -11.639 3.035 8.766 237 HD23 LEU 33 HD23 LEU 33 -10.965 1.433 9.074 238 H ARG 34 HN ARG 34 -10.330 -2.392 7.209 239 HA ARG 34 HA ARG 34 -7.874 -3.550 6.258 240 HB2 ARG 34 HB2 ARG 34 -10.651 -4.714 6.498 241 HB3 ARG 34 HB1 ARG 34 -9.171 -5.617 6.208 242 HG2 ARG 34 HG2 ARG 34 -8.334 -5.029 8.393 243 HG3 ARG 34 HG1 ARG 34 -9.730 -3.990 8.676 244 HD2 ARG 34 HD2 ARG 34 -9.969 -6.144 9.802 245 HD3 ARG 34 HD1 ARG 34 -11.202 -5.922 8.561 246 HE ARG 34 HE ARG 34 -8.814 -7.314 7.734 247 HH11 ARG 34 HH11 ARG 34 -12.151 -7.673 8.965 248 HH12 ARG 34 HH12 ARG 34 -12.290 -9.300 8.521 249 HH21 ARG 34 HH21 ARG 34 -9.038 -9.457 7.046 250 HH22 ARG 34 HH22 ARG 34 -10.425 -10.395 7.440 251 H PHE 35 HN PHE 35 -7.731 -4.637 4.194 252 HA PHE 35 HA PHE 35 -8.845 -3.113 2.091 253 HB2 PHE 35 HB2 PHE 35 -7.353 -5.734 2.027 254 HB3 PHE 35 HB1 PHE 35 -7.883 -4.892 0.573 255 HD1 PHE 35 HD2 PHE 35 -7.245 -2.271 0.654 256 HD2 PHE 35 HD1 PHE 35 -5.168 -5.408 2.620 257 HE1 PHE 35 HE2 PHE 35 -5.211 -0.892 0.693 258 HE2 PHE 35 HE1 PHE 35 -3.135 -4.034 2.666 259 HZ PHE 35 HZ PHE 35 -3.153 -1.778 1.695 260 H GLU 36 HN GLU 36 -9.914 -5.799 3.798 261 HA GLU 36 HA GLU 36 -11.911 -6.743 2.031 262 HB2 GLU 36 HB2 GLU 36 -11.063 -8.030 3.946 263 HB3 GLU 36 HB1 GLU 36 -11.700 -6.829 5.051 264 HG2 GLU 36 HG2 GLU 36 -13.070 -8.835 4.981 265 HG3 GLU 36 HG1 GLU 36 -13.959 -7.417 4.435 266 H ASP 37 HN ASP 37 -11.657 -3.985 4.166 267 HA ASP 37 HA ASP 37 -14.481 -3.465 4.271 268 HB2 ASP 37 HB2 ASP 37 -12.109 -1.772 5.085 269 HB3 ASP 37 HB1 ASP 37 -13.780 -1.264 5.256 270 H ILE 38 HN ILE 38 -11.699 -2.352 2.480 271 HA ILE 38 HA ILE 38 -13.417 -0.495 1.041 272 HB ILE 38 HB ILE 38 -11.361 0.489 0.084 273 HG12 ILE 38 HG12 ILE 38 -9.931 -1.440 1.940 274 HG13 ILE 38 HG11 ILE 38 -9.944 -1.542 0.186 275 HG21 ILE 38 HG21 ILE 38 -12.342 1.418 2.106 276 HG22 ILE 38 HG22 ILE 38 -10.582 1.527 2.179 277 HG23 ILE 38 HG23 ILE 38 -11.428 0.279 3.094 278 HD11 ILE 38 HD11 ILE 38 -8.762 0.590 0.059 279 HD12 ILE 38 HD12 ILE 38 -7.865 -0.591 1.018 280 HD13 ILE 38 HD13 ILE 38 -8.767 0.696 1.820 281 H GLY 39 HN GLY 39 -12.983 -3.538 0.648 282 HA2 GLY 39 HA2 GLY 39 -13.338 -4.987 -1.088 283 HA3 GLY 39 HA1 GLY 39 -13.835 -3.593 -2.029 284 H TYR 40 HN TYR 40 -10.635 -4.456 -0.665 285 HA TYR 40 HA TYR 40 -9.610 -4.187 -3.364 286 HB2 TYR 40 HB2 TYR 40 -8.677 -3.193 -0.818 287 HB3 TYR 40 HB1 TYR 40 -7.450 -4.119 -1.693 288 HD1 TYR 40 HD1 TYR 40 -9.769 -1.239 -1.997 289 HD2 TYR 40 HD2 TYR 40 -6.406 -3.287 -3.574 290 HE1 TYR 40 HE1 TYR 40 -9.368 0.624 -3.556 291 HE2 TYR 40 HE2 TYR 40 -5.989 -1.445 -5.120 292 HH TYR 40 HH TYR 40 -7.399 0.239 -6.182 293 H ASP 41 HN ASP 41 -8.798 -5.749 -4.360 294 HA ASP 41 HA ASP 41 -8.546 -8.375 -3.112 295 HB2 ASP 41 HB2 ASP 41 -9.758 -8.092 -5.290 296 HB3 ASP 41 HB1 ASP 41 -8.218 -7.546 -5.968 297 H SER 42 HN SER 42 -6.740 -9.703 -3.818 298 HA SER 42 HA SER 42 -4.272 -8.804 -2.882 299 HB2 SER 42 HB2 SER 42 -4.797 -11.164 -4.691 300 HB3 SER 42 HB1 SER 42 -3.459 -10.971 -3.550 301 H LEU 43 HN LEU 43 -5.442 -9.371 -6.215 302 HA LEU 43 HA LEU 43 -2.943 -8.728 -7.398 303 HB2 LEU 43 HB2 LEU 43 -5.698 -8.976 -8.591 304 HB3 LEU 43 HB1 LEU 43 -4.324 -8.497 -9.556 305 HG LEU 43 HG LEU 43 -3.232 -10.680 -8.977 306 HD11 LEU 43 HD11 LEU 43 -4.426 -11.246 -6.947 307 HD12 LEU 43 HD12 LEU 43 -4.600 -12.520 -8.155 308 HD13 LEU 43 HD13 LEU 43 -5.930 -11.397 -7.858 309 HD21 LEU 43 HD21 LEU 43 -5.883 -10.818 -10.393 310 HD22 LEU 43 HD22 LEU 43 -4.582 -12.004 -10.527 311 HD23 LEU 43 HD23 LEU 43 -4.334 -10.354 -11.101 312 H ALA 44 HN ALA 44 -5.600 -6.842 -6.391 313 HA ALA 44 HA ALA 44 -4.886 -4.477 -7.843 314 HB1 ALA 44 HB1 ALA 44 -6.624 -4.778 -5.382 315 HB2 ALA 44 HB2 ALA 44 -7.190 -4.877 -7.048 316 HB3 ALA 44 HB3 ALA 44 -6.536 -3.360 -6.425 317 H LEU 45 HN LEU 45 -4.273 -5.802 -4.649 318 HA LEU 45 HA LEU 45 -2.898 -3.604 -3.544 319 HB2 LEU 45 HB2 LEU 45 -2.543 -6.538 -2.985 320 HB3 LEU 45 HB1 LEU 45 -1.977 -5.231 -1.968 321 HG LEU 45 HG LEU 45 -4.844 -5.904 -2.554 322 HD11 LEU 45 HD11 LEU 45 -3.779 -7.491 -1.060 323 HD12 LEU 45 HD12 LEU 45 -4.919 -6.473 -0.174 324 HD13 LEU 45 HD13 LEU 45 -3.187 -6.167 -0.060 325 HD21 LEU 45 HD21 LEU 45 -3.625 -3.769 -0.831 326 HD22 LEU 45 HD22 LEU 45 -5.344 -4.166 -0.902 327 HD23 LEU 45 HD23 LEU 45 -4.525 -3.518 -2.328 328 H MET 46 HN MET 46 -1.880 -6.374 -5.372 329 HA MET 46 HA MET 46 0.894 -6.019 -5.377 330 HB2 MET 46 HB2 MET 46 -0.956 -7.140 -7.480 331 HB3 MET 46 HB1 MET 46 0.792 -7.256 -7.561 332 HG2 MET 46 HG2 MET 46 0.876 -8.694 -5.656 333 HG3 MET 46 HG1 MET 46 -0.792 -8.314 -5.254 334 HE1 MET 46 HE1 MET 46 0.210 -10.685 -9.095 335 HE2 MET 46 HE2 MET 46 1.456 -10.000 -8.052 336 HE3 MET 46 HE3 MET 46 0.368 -8.935 -8.938 337 H GLU 47 HN GLU 47 -1.560 -4.801 -7.626 338 HA GLU 47 HA GLU 47 0.080 -3.364 -9.394 339 HB2 GLU 47 HB2 GLU 47 -2.361 -3.972 -9.672 340 HB3 GLU 47 HB1 GLU 47 -2.759 -2.716 -8.526 341 HG2 GLU 47 HG2 GLU 47 -1.417 -2.205 -11.183 342 HG3 GLU 47 HG1 GLU 47 -3.156 -2.184 -10.947 343 H THR 48 HN THR 48 -1.521 -2.430 -6.428 344 HA THR 48 HA THR 48 -0.827 0.263 -6.266 345 HB THR 48 HB THR 48 -1.270 -1.741 -4.028 346 HG1 THR 48 HG1 THR 48 -3.062 -1.634 -5.493 347 HG21 THR 48 HG21 THR 48 -0.299 0.385 -3.225 348 HG22 THR 48 HG22 THR 48 -1.973 0.203 -2.701 349 HG23 THR 48 HG23 THR 48 -1.585 1.279 -4.044 350 H ALA 49 HN ALA 49 0.775 -2.567 -4.749 351 HA ALA 49 HA ALA 49 2.903 -1.118 -3.635 352 HB1 ALA 49 HB1 ALA 49 2.252 -3.349 -2.847 353 HB2 ALA 49 HB2 ALA 49 3.964 -3.264 -3.237 354 HB3 ALA 49 HB3 ALA 49 2.843 -4.044 -4.357 355 H ALA 50 HN ALA 50 2.614 -2.739 -6.771 356 HA ALA 50 HA ALA 50 5.254 -2.596 -7.619 357 HB1 ALA 50 HB1 ALA 50 3.486 -3.812 -8.825 358 HB2 ALA 50 HB2 ALA 50 4.401 -2.753 -9.896 359 HB3 ALA 50 HB3 ALA 50 2.794 -2.275 -9.344 360 H ARG 51 HN ARG 51 2.763 -0.118 -7.762 361 HA ARG 51 HA ARG 51 4.160 1.802 -9.239 362 HB2 ARG 51 HB2 ARG 51 1.883 2.113 -9.111 363 HB3 ARG 51 HB1 ARG 51 1.819 1.727 -7.407 364 HG2 ARG 51 HG2 ARG 51 2.594 3.885 -6.811 365 HG3 ARG 51 HG1 ARG 51 2.990 4.259 -8.496 366 HD2 ARG 51 HD2 ARG 51 0.831 5.289 -7.645 367 HD3 ARG 51 HD1 ARG 51 0.685 4.337 -9.114 368 HE ARG 51 HE ARG 51 -0.351 3.619 -6.454 369 HH11 ARG 51 HH11 ARG 51 -0.056 2.890 -9.915 370 HH12 ARG 51 HH12 ARG 51 -1.158 1.592 -9.869 371 HH21 ARG 51 HH21 ARG 51 -2.018 1.892 -6.468 372 HH22 ARG 51 HH22 ARG 51 -2.267 1.062 -7.951 373 H LEU 52 HN LEU 52 4.193 0.914 -5.907 374 HA LEU 52 HA LEU 52 5.601 3.255 -5.023 375 HB2 LEU 52 HB2 LEU 52 5.053 0.640 -3.633 376 HB3 LEU 52 HB1 LEU 52 5.701 2.082 -2.869 377 HG LEU 52 HG LEU 52 2.969 1.867 -4.133 378 HD11 LEU 52 HD11 LEU 52 3.110 0.523 -2.119 379 HD12 LEU 52 HD12 LEU 52 2.118 1.956 -1.850 380 HD13 LEU 52 HD13 LEU 52 3.770 1.900 -1.231 381 HD21 LEU 52 HD21 LEU 52 3.893 4.123 -4.238 382 HD22 LEU 52 HD22 LEU 52 4.232 4.070 -2.508 383 HD23 LEU 52 HD23 LEU 52 2.566 4.037 -3.079 384 H GLU 53 HN GLU 53 6.337 -0.081 -5.836 385 HA GLU 53 HA GLU 53 8.976 -0.328 -5.037 386 HB2 GLU 53 HB2 GLU 53 7.697 -1.386 -7.548 387 HB3 GLU 53 HB1 GLU 53 9.246 -1.906 -6.914 388 HG2 GLU 53 HG2 GLU 53 8.097 -2.731 -4.903 389 HG3 GLU 53 HG1 GLU 53 6.555 -2.275 -5.640 390 H SER 54 HN SER 54 7.842 0.579 -8.265 391 HA SER 54 HA SER 54 10.349 1.249 -9.295 392 HB2 SER 54 HB2 SER 54 7.635 2.210 -10.184 393 HB3 SER 54 HB1 SER 54 9.102 2.093 -11.166 394 HG SER 54 HG SER 54 7.549 0.337 -11.346 395 H ARG 55 HN ARG 55 8.148 3.051 -7.328 396 HA ARG 55 HA ARG 55 9.131 5.609 -8.201 397 HB2 ARG 55 HB2 ARG 55 6.783 5.412 -7.585 398 HB3 ARG 55 HB1 ARG 55 7.232 4.932 -5.955 399 HG2 ARG 55 HG2 ARG 55 8.207 7.100 -5.544 400 HG3 ARG 55 HG1 ARG 55 7.879 7.591 -7.204 401 HD2 ARG 55 HD2 ARG 55 5.494 7.425 -6.800 402 HD3 ARG 55 HD1 ARG 55 5.791 6.849 -5.157 403 HE ARG 55 HE ARG 55 7.097 9.090 -5.043 404 HH11 ARG 55 HH11 ARG 55 3.896 8.570 -6.524 405 HH12 ARG 55 HH12 ARG 55 3.381 10.171 -6.274 406 HH21 ARG 55 HH21 ARG 55 6.374 11.260 -4.706 407 HH22 ARG 55 HH22 ARG 55 4.832 11.764 -5.223 408 H TYR 56 HN TYR 56 9.452 3.631 -5.280 409 HA TYR 56 HA TYR 56 11.259 5.658 -4.241 410 HB2 TYR 56 HB2 TYR 56 9.956 3.300 -2.885 411 HB3 TYR 56 HB1 TYR 56 11.086 4.397 -2.092 412 HD1 TYR 56 HD1 TYR 56 10.445 6.726 -1.627 413 HD2 TYR 56 HD2 TYR 56 7.712 4.009 -3.413 414 HE1 TYR 56 HE1 TYR 56 8.593 8.229 -1.067 415 HE2 TYR 56 HE2 TYR 56 5.849 5.510 -2.862 416 HH TYR 56 HH TYR 56 6.356 8.710 -1.763 417 H GLY 57 HN GLY 57 11.426 2.740 -5.871 418 HA2 GLY 57 HA2 GLY 57 13.379 1.849 -6.733 419 HA3 GLY 57 HA1 GLY 57 14.301 2.795 -5.574 420 H VAL 58 HN VAL 58 11.905 0.189 -5.578 421 HA VAL 58 HA VAL 58 13.656 -1.423 -3.976 422 HB VAL 58 HB VAL 58 12.311 -0.003 -2.368 423 HG11 VAL 58 HG11 VAL 58 9.948 -0.495 -1.992 424 HG12 VAL 58 HG12 VAL 58 9.941 -1.480 -3.454 425 HG13 VAL 58 HG13 VAL 58 10.267 0.249 -3.560 426 HG21 VAL 58 HG21 VAL 58 13.205 -2.107 -1.602 427 HG22 VAL 58 HG22 VAL 58 11.794 -2.967 -2.222 428 HG23 VAL 58 HG23 VAL 58 11.619 -1.834 -0.881 429 H SER 59 HN SER 59 12.602 -3.707 -3.824 430 HA SER 59 HA SER 59 10.533 -4.087 -5.796 431 HB2 SER 59 HB2 SER 59 11.937 -6.111 -6.617 432 HB3 SER 59 HB1 SER 59 12.359 -4.503 -7.198 433 HG SER 59 HG SER 59 13.666 -6.164 -5.374 434 H ILE 60 HN ILE 60 9.029 -5.324 -5.058 435 HA ILE 60 HA ILE 60 9.619 -7.182 -2.861 436 HB ILE 60 HB ILE 60 7.221 -5.320 -3.073 437 HG12 ILE 60 HG12 ILE 60 9.453 -5.433 -1.022 438 HG13 ILE 60 HG11 ILE 60 9.268 -4.208 -2.267 439 HG21 ILE 60 HG21 ILE 60 7.813 -7.426 -0.988 440 HG22 ILE 60 HG22 ILE 60 6.533 -7.493 -2.200 441 HG23 ILE 60 HG23 ILE 60 6.483 -6.268 -0.929 442 HD11 ILE 60 HD11 ILE 60 8.545 -3.393 -0.097 443 HD12 ILE 60 HD12 ILE 60 7.375 -4.708 0.019 444 HD13 ILE 60 HD13 ILE 60 7.184 -3.469 -1.219 445 HA PRO 61 HA PRO 61 7.965 -10.177 -5.730 446 HB2 PRO 61 HB2 PRO 61 7.212 -11.427 -3.117 447 HB3 PRO 61 HB1 PRO 61 7.963 -12.164 -4.541 448 HG2 PRO 61 HG2 PRO 61 9.450 -11.545 -2.444 449 HG3 PRO 61 HG1 PRO 61 10.045 -11.241 -4.086 450 HD2 PRO 61 HD2 PRO 61 9.011 -9.312 -2.058 451 HD3 PRO 61 HD1 PRO 61 10.276 -9.098 -3.285 452 H ASP 62 HN ASP 62 6.095 -10.640 -6.582 453 HA ASP 62 HA ASP 62 3.931 -8.929 -6.348 454 HB2 ASP 62 HB2 ASP 62 3.916 -11.715 -7.522 455 HB3 ASP 62 HB1 ASP 62 2.739 -10.458 -7.848 456 H ASP 63 HN ASP 63 4.145 -12.292 -5.298 457 HA ASP 63 HA ASP 63 1.584 -12.704 -4.321 458 HB2 ASP 63 HB2 ASP 63 3.243 -14.473 -4.628 459 HB3 ASP 63 HB1 ASP 63 4.183 -13.843 -3.285 460 H VAL 64 HN VAL 64 4.364 -11.434 -2.665 461 HA VAL 64 HA VAL 64 3.513 -11.314 0.001 462 HB VAL 64 HB VAL 64 5.290 -9.439 -1.510 463 HG11 VAL 64 HG11 VAL 64 4.669 -8.521 0.695 464 HG12 VAL 64 HG12 VAL 64 6.364 -8.995 0.716 465 HG13 VAL 64 HG13 VAL 64 5.150 -10.027 1.477 466 HG21 VAL 64 HG21 VAL 64 5.974 -11.964 -0.005 467 HG22 VAL 64 HG22 VAL 64 7.155 -10.843 -0.679 468 HG23 VAL 64 HG23 VAL 64 6.057 -11.713 -1.749 469 H ALA 65 HN ALA 65 3.206 -8.959 -2.605 470 HA ALA 65 HA ALA 65 2.203 -6.817 -1.100 471 HB1 ALA 65 HB1 ALA 65 1.728 -7.447 -3.997 472 HB2 ALA 65 HB2 ALA 65 3.130 -6.590 -3.344 473 HB3 ALA 65 HB3 ALA 65 1.517 -5.876 -3.220 474 H GLY 66 HN GLY 66 0.637 -9.665 -2.305 475 HA2 GLY 66 HA2 GLY 66 -2.008 -8.504 -1.879 476 HA3 GLY 66 HA1 GLY 66 -1.663 -10.078 -2.578 477 H ARG 67 HN ARG 67 0.247 -9.784 0.097 478 HA ARG 67 HA ARG 67 -1.537 -11.563 1.603 479 HB2 ARG 67 HB2 ARG 67 1.363 -10.842 2.093 480 HB3 ARG 67 HB1 ARG 67 0.452 -12.007 3.035 481 HG2 ARG 67 HG2 ARG 67 0.988 -12.272 0.083 482 HG3 ARG 67 HG1 ARG 67 1.986 -12.994 1.341 483 HD2 ARG 67 HD2 ARG 67 0.165 -14.383 2.065 484 HD3 ARG 67 HD1 ARG 67 -0.980 -13.569 1.004 485 HE ARG 67 HE ARG 67 1.180 -14.617 -0.470 486 HH11 ARG 67 HH11 ARG 67 -1.601 -15.819 1.371 487 HH12 ARG 67 HH12 ARG 67 -2.008 -17.016 0.230 488 HH21 ARG 67 HH21 ARG 67 0.644 -16.223 -1.992 489 HH22 ARG 67 HH22 ARG 67 -0.700 -17.256 -1.758 490 H VAL 68 HN VAL 68 -1.047 -8.376 1.503 491 HA VAL 68 HA VAL 68 -1.222 -7.970 4.347 492 HB VAL 68 HB VAL 68 -1.186 -5.519 3.790 493 HG11 VAL 68 HG11 VAL 68 0.851 -6.735 4.291 494 HG12 VAL 68 HG12 VAL 68 1.154 -5.512 3.056 495 HG13 VAL 68 HG13 VAL 68 1.006 -7.208 2.598 496 HG21 VAL 68 HG21 VAL 68 -2.168 -5.603 1.535 497 HG22 VAL 68 HG22 VAL 68 -0.763 -6.516 0.972 498 HG23 VAL 68 HG23 VAL 68 -0.565 -4.854 1.507 499 H ASP 69 HN ASP 69 -2.992 -7.912 5.420 500 HA ASP 69 HA ASP 69 -5.592 -7.875 4.123 501 HB2 ASP 69 HB2 ASP 69 -5.126 -9.445 5.981 502 HB3 ASP 69 HB1 ASP 69 -4.765 -8.088 7.033 503 H THR 70 HN THR 70 -3.541 -5.914 6.123 504 HA THR 70 HA THR 70 -5.447 -3.699 5.980 505 HB THR 70 HB THR 70 -4.272 -2.916 8.100 506 HG1 THR 70 HG1 THR 70 -3.224 -4.627 9.258 507 HG21 THR 70 HG21 THR 70 -5.549 -4.438 9.566 508 HG22 THR 70 HG22 THR 70 -5.752 -5.553 8.213 509 HG23 THR 70 HG23 THR 70 -6.501 -3.959 8.157 510 HA PRO 71 HA PRO 71 -2.324 -1.487 3.681 511 HB2 PRO 71 HB2 PRO 71 -3.274 0.926 5.123 512 HB3 PRO 71 HB1 PRO 71 -3.215 0.608 3.385 513 HG2 PRO 71 HG2 PRO 71 -5.536 0.593 4.668 514 HG3 PRO 71 HG1 PRO 71 -5.192 -0.613 3.411 515 HD2 PRO 71 HD2 PRO 71 -5.079 -0.904 6.389 516 HD3 PRO 71 HD1 PRO 71 -5.765 -2.008 5.179 517 H ARG 72 HN ARG 72 -2.600 -1.297 7.083 518 HA ARG 72 HA ARG 72 -0.384 0.208 7.857 519 HB2 ARG 72 HB2 ARG 72 -2.144 -0.689 9.369 520 HB3 ARG 72 HB1 ARG 72 -1.472 -2.296 9.149 521 HG2 ARG 72 HG2 ARG 72 0.634 -1.517 10.172 522 HG3 ARG 72 HG1 ARG 72 -0.121 0.053 10.454 523 HD2 ARG 72 HD2 ARG 72 -1.029 -2.596 11.571 524 HD3 ARG 72 HD1 ARG 72 -0.224 -1.307 12.462 525 HE ARG 72 HE ARG 72 -2.333 0.001 11.605 526 HH11 ARG 72 HH11 ARG 72 -2.178 -3.245 13.034 527 HH12 ARG 72 HH12 ARG 72 -3.771 -3.209 13.640 528 HH21 ARG 72 HH21 ARG 72 -4.473 0.042 12.419 529 HH22 ARG 72 HH22 ARG 72 -5.125 -1.325 13.244 530 H GLU 73 HN GLU 73 -0.682 -3.181 6.935 531 HA GLU 73 HA GLU 73 2.053 -3.838 7.418 532 HB2 GLU 73 HB2 GLU 73 -0.094 -5.257 5.859 533 HB3 GLU 73 HB1 GLU 73 1.480 -5.941 6.208 534 HG2 GLU 73 HG2 GLU 73 -0.632 -5.176 8.202 535 HG3 GLU 73 HG1 GLU 73 -0.199 -6.805 7.695 536 H LEU 74 HN LEU 74 0.131 -2.961 4.596 537 HA LEU 74 HA LEU 74 2.038 -3.453 2.553 538 HB2 LEU 74 HB2 LEU 74 -0.533 -2.792 2.487 539 HB3 LEU 74 HB1 LEU 74 0.081 -1.158 2.429 540 HG LEU 74 HG LEU 74 0.478 -3.329 0.348 541 HD11 LEU 74 HD11 LEU 74 -1.077 -0.778 0.264 542 HD12 LEU 74 HD12 LEU 74 -1.722 -2.419 0.328 543 HD13 LEU 74 HD13 LEU 74 -0.824 -1.877 -1.090 544 HD21 LEU 74 HD21 LEU 74 1.578 -1.625 -1.037 545 HD22 LEU 74 HD22 LEU 74 2.490 -1.916 0.445 546 HD23 LEU 74 HD23 LEU 74 1.483 -0.474 0.297 547 H LEU 75 HN LEU 75 1.274 -0.570 4.444 548 HA LEU 75 HA LEU 75 3.134 1.277 3.486 549 HB2 LEU 75 HB2 LEU 75 1.247 1.687 5.059 550 HB3 LEU 75 HB1 LEU 75 2.139 0.855 6.309 551 HG LEU 75 HG LEU 75 3.891 2.685 6.124 552 HD11 LEU 75 HD11 LEU 75 1.743 4.000 4.492 553 HD12 LEU 75 HD12 LEU 75 3.314 3.465 3.900 554 HD13 LEU 75 HD13 LEU 75 3.214 4.765 5.089 555 HD21 LEU 75 HD21 LEU 75 2.227 2.609 7.910 556 HD22 LEU 75 HD22 LEU 75 1.084 3.472 6.881 557 HD23 LEU 75 HD23 LEU 75 2.564 4.269 7.418 558 H ASP 76 HN ASP 76 3.317 -1.000 6.163 559 HA ASP 76 HA ASP 76 5.931 -0.481 7.025 560 HB2 ASP 76 HB2 ASP 76 4.327 -1.627 8.432 561 HB3 ASP 76 HB1 ASP 76 4.265 -2.979 7.309 562 H LEU 77 HN LEU 77 4.716 -2.736 4.602 563 HA LEU 77 HA LEU 77 7.008 -4.258 4.127 564 HB2 LEU 77 HB2 LEU 77 4.888 -3.306 2.208 565 HB3 LEU 77 HB1 LEU 77 6.142 -4.418 1.733 566 HG LEU 77 HG LEU 77 3.992 -4.927 3.784 567 HD11 LEU 77 HD11 LEU 77 3.178 -4.847 1.486 568 HD12 LEU 77 HD12 LEU 77 3.146 -6.493 2.113 569 HD13 LEU 77 HD13 LEU 77 4.421 -5.999 0.996 570 HD21 LEU 77 HD21 LEU 77 6.136 -6.752 2.689 571 HD22 LEU 77 HD22 LEU 77 4.829 -7.227 3.774 572 HD23 LEU 77 HD23 LEU 77 6.072 -6.108 4.329 573 H ILE 78 HN ILE 78 5.949 -1.296 2.527 574 HA ILE 78 HA ILE 78 8.233 -1.023 0.886 575 HB ILE 78 HB ILE 78 6.405 1.206 1.832 576 HG12 ILE 78 HG12 ILE 78 5.089 -0.632 0.836 577 HG13 ILE 78 HG11 ILE 78 5.069 0.797 -0.185 578 HG21 ILE 78 HG21 ILE 78 8.157 0.950 -0.619 579 HG22 ILE 78 HG22 ILE 78 8.458 1.989 0.774 580 HG23 ILE 78 HG23 ILE 78 7.072 2.299 -0.273 581 HD11 ILE 78 HD11 ILE 78 6.737 -1.679 -0.615 582 HD12 ILE 78 HD12 ILE 78 6.737 -0.250 -1.649 583 HD13 ILE 78 HD13 ILE 78 5.280 -1.232 -1.504 584 H ASN 79 HN ASN 79 7.279 0.599 3.908 585 HA ASN 79 HA ASN 79 9.519 2.205 4.322 586 HB2 ASN 79 HB2 ASN 79 7.822 0.788 6.392 587 HB3 ASN 79 HB1 ASN 79 9.053 1.966 6.795 588 HD21 ASN 79 HD21 ASN 79 8.372 3.726 4.544 589 HD22 ASN 79 HD22 ASN 79 6.856 4.453 4.983 590 H GLY 80 HN GLY 80 8.974 -1.091 5.522 591 HA2 GLY 80 HA2 GLY 80 11.420 -1.403 6.824 592 HA3 GLY 80 HA1 GLY 80 10.370 -2.697 6.274 593 H ALA 81 HN ALA 81 10.445 -2.433 3.553 594 HA ALA 81 HA ALA 81 12.885 -3.679 2.970 595 HB1 ALA 81 HB1 ALA 81 12.164 -3.665 0.651 596 HB2 ALA 81 HB2 ALA 81 10.925 -2.467 1.026 597 HB3 ALA 81 HB3 ALA 81 10.819 -4.089 1.709 598 H LEU 82 HN LEU 82 11.851 -0.341 2.529 599 HA LEU 82 HA LEU 82 14.174 0.460 1.082 600 HB2 LEU 82 HB2 LEU 82 12.216 2.079 2.709 601 HB3 LEU 82 HB1 LEU 82 13.505 2.773 1.746 602 HG LEU 82 HG LEU 82 11.231 1.131 0.633 603 HD11 LEU 82 HD11 LEU 82 10.444 3.240 1.554 604 HD12 LEU 82 HD12 LEU 82 10.392 3.269 -0.210 605 HD13 LEU 82 HD13 LEU 82 11.683 4.110 0.653 606 HD21 LEU 82 HD21 LEU 82 12.030 1.977 -1.523 607 HD22 LEU 82 HD22 LEU 82 13.278 1.033 -0.708 608 HD23 LEU 82 HD23 LEU 82 13.362 2.795 -0.709 609 H ALA 83 HN ALA 83 13.271 0.533 4.498 610 HA ALA 83 HA ALA 83 15.630 1.875 5.369 611 HB1 ALA 83 HB1 ALA 83 14.832 1.382 7.609 612 HB2 ALA 83 HB2 ALA 83 13.640 0.261 6.952 613 HB3 ALA 83 HB3 ALA 83 13.519 1.984 6.598 614 H GLU 84 HN GLU 84 14.848 -1.389 4.716 615 HA GLU 84 HA GLU 84 16.798 -2.651 6.314 616 HB2 GLU 84 HB2 GLU 84 14.866 -3.776 5.257 617 HB3 GLU 84 HB1 GLU 84 15.635 -3.567 3.692 618 HG2 GLU 84 HG2 GLU 84 17.465 -4.986 4.376 619 HG3 GLU 84 HG1 GLU 84 16.756 -5.145 5.985 620 H ALA 85 HN ALA 85 16.867 -1.148 3.195 621 HA ALA 85 HA ALA 85 19.669 -1.911 2.826 622 HB1 ALA 85 HB1 ALA 85 17.744 -0.580 0.914 623 HB2 ALA 85 HB2 ALA 85 18.170 -2.293 0.926 624 HB3 ALA 85 HB3 ALA 85 19.392 -1.084 0.539 625 H ALA 86 HN ALA 86 18.305 0.224 4.622 626 HA ALA 86 HA ALA 86 20.159 2.349 3.927 627 HB1 ALA 86 HB1 ALA 86 18.468 4.029 4.501 628 HB2 ALA 86 HB2 ALA 86 17.276 2.752 4.736 629 HB3 ALA 86 HB3 ALA 86 17.948 3.046 3.132 630 H282 PNS 87 H28A PNS 87 -6.513 -12.874 -4.323 631 H281 PNS 87 H28B PNS 87 -5.753 -14.466 -4.302 632 H303 PNS 87 H30A PNS 87 -8.504 -13.398 -2.303 633 H302 PNS 87 H30B PNS 87 -9.809 -13.974 -3.375 634 H301 PNS 87 H30C PNS 87 -8.730 -12.645 -3.875 635 H313 PNS 87 H31A PNS 87 -9.135 -15.257 -5.452 636 H312 PNS 87 H31B PNS 87 -7.422 -15.378 -5.844 637 H311 PNS 87 H31C PNS 87 -8.230 -13.812 -5.903 638 H32 PNS 87 H32A PNS 87 -7.469 -15.777 -2.137 639 H33 PNS 87 H33A PNS 87 -7.480 -17.505 -4.125 640 H36 PNS 87 H36A PNS 87 -9.874 -15.381 -1.858 641 H372 PNS 87 H37A PNS 87 -11.966 -16.478 -3.235 642 H371 PNS 87 H37B PNS 87 -11.405 -17.758 -2.152 643 H382 PNS 87 H38A PNS 87 -11.714 -16.282 -0.236 644 H381 PNS 87 H38B PNS 87 -12.114 -14.956 -1.303 645 H41 PNS 87 H41A PNS 87 -13.758 -15.305 0.578 646 H422 PNS 87 H42A PNS 87 -16.295 -15.770 -0.582 647 H421 PNS 87 H42B PNS 87 -15.854 -17.093 0.492 648 H431 PNS 87 H43A PNS 87 -17.103 -15.504 1.760 649 H432 PNS 87 H43B PNS 87 -16.063 -14.204 1.202 650 H44 PNS 87 H1 PNS 87 -13.796 -15.060 2.521 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 20.877 5.870 4.670 2 H2 MET 1 HT2 MET 1 20.594 5.278 3.104 3 H3 MET 1 HT3 MET 1 19.513 4.908 4.324 4 HA MET 1 HA MET 1 18.898 7.249 4.454 5 HB2 MET 1 HB2 MET 1 20.677 7.418 1.999 6 HB3 MET 1 HB1 MET 1 19.596 8.685 2.549 7 HG2 MET 1 HG2 MET 1 20.914 8.932 4.579 8 HG3 MET 1 HG1 MET 1 21.980 7.631 4.053 9 HE1 MET 1 HE1 MET 1 23.085 10.478 4.925 10 HE2 MET 1 HE2 MET 1 24.284 10.759 3.659 11 HE3 MET 1 HE3 MET 1 24.102 9.152 4.360 12 H ALA 2 HN ALA 2 16.855 6.952 3.898 13 HA ALA 2 HA ALA 2 16.169 6.262 1.183 14 HB1 ALA 2 HB1 ALA 2 15.293 4.587 3.541 15 HB2 ALA 2 HB2 ALA 2 16.375 4.068 2.251 16 HB3 ALA 2 HB3 ALA 2 14.688 4.435 1.891 17 H THR 3 HN THR 3 13.930 6.728 0.796 18 HA THR 3 HA THR 3 12.905 8.587 2.790 19 HB THR 3 HB THR 3 13.384 9.782 0.775 20 HG1 THR 3 HG1 THR 3 11.168 9.985 1.839 21 HG21 THR 3 HG21 THR 3 11.727 7.756 -0.740 22 HG22 THR 3 HG22 THR 3 13.477 7.950 -0.834 23 HG23 THR 3 HG23 THR 3 12.415 9.227 -1.429 24 H LEU 4 HN LEU 4 11.512 7.695 3.973 25 HA LEU 4 HA LEU 4 9.853 5.451 3.133 26 HB2 LEU 4 HB2 LEU 4 9.917 6.958 5.742 27 HB3 LEU 4 HB1 LEU 4 9.174 5.399 5.440 28 HG LEU 4 HG LEU 4 12.131 6.003 5.434 29 HD11 LEU 4 HD11 LEU 4 10.452 4.366 7.305 30 HD12 LEU 4 HD12 LEU 4 11.197 5.928 7.653 31 HD13 LEU 4 HD13 LEU 4 12.207 4.514 7.354 32 HD21 LEU 4 HD21 LEU 4 11.621 4.328 3.752 33 HD22 LEU 4 HD22 LEU 4 10.705 3.396 4.934 34 HD23 LEU 4 HD23 LEU 4 12.448 3.591 5.124 35 H LEU 5 HN LEU 5 7.876 5.662 2.407 36 HA LEU 5 HA LEU 5 6.889 8.313 2.019 37 HB2 LEU 5 HB2 LEU 5 5.174 7.275 0.612 38 HB3 LEU 5 HB1 LEU 5 6.785 6.703 0.236 39 HG LEU 5 HG LEU 5 6.083 4.688 1.769 40 HD11 LEU 5 HD11 LEU 5 3.942 5.597 2.438 41 HD12 LEU 5 HD12 LEU 5 3.736 4.113 1.509 42 HD13 LEU 5 HD13 LEU 5 3.431 5.676 0.752 43 HD21 LEU 5 HD21 LEU 5 5.343 3.509 -0.235 44 HD22 LEU 5 HD22 LEU 5 6.744 4.532 -0.554 45 HD23 LEU 5 HD23 LEU 5 5.136 5.051 -1.065 46 H THR 6 HN THR 6 4.858 9.141 2.736 47 HA THR 6 HA THR 6 4.450 8.197 5.443 48 HB THR 6 HB THR 6 3.403 10.378 5.873 49 HG1 THR 6 HG1 THR 6 3.934 10.846 3.094 50 HG21 THR 6 HG21 THR 6 5.828 10.167 6.117 51 HG22 THR 6 HG22 THR 6 5.397 11.779 5.546 52 HG23 THR 6 HG23 THR 6 6.044 10.589 4.419 53 H THR 7 HN THR 7 1.989 9.135 6.123 54 HA THR 7 HA THR 7 0.237 7.114 5.427 55 HB THR 7 HB THR 7 -0.401 9.888 6.472 56 HG1 THR 7 HG1 THR 7 0.285 9.217 8.380 57 HG21 THR 7 HG21 THR 7 -2.381 8.560 5.850 58 HG22 THR 7 HG22 THR 7 -2.271 8.758 7.602 59 HG23 THR 7 HG23 THR 7 -1.801 7.232 6.852 60 H ASP 8 HN ASP 8 0.227 10.554 4.420 61 HA ASP 8 HA ASP 8 -1.943 10.255 2.623 62 HB2 ASP 8 HB2 ASP 8 -1.332 12.433 3.604 63 HB3 ASP 8 HB1 ASP 8 0.157 12.431 2.670 64 H ASP 9 HN ASP 9 1.487 9.817 2.245 65 HA ASP 9 HA ASP 9 1.591 9.766 -0.586 66 HB2 ASP 9 HB2 ASP 9 3.289 8.343 1.468 67 HB3 ASP 9 HB1 ASP 9 3.528 8.103 -0.252 68 H LEU 10 HN LEU 10 1.208 7.149 1.774 69 HA LEU 10 HA LEU 10 0.738 5.080 -0.074 70 HB2 LEU 10 HB2 LEU 10 1.288 4.705 2.304 71 HB3 LEU 10 HB1 LEU 10 -0.265 5.365 2.767 72 HG LEU 10 HG LEU 10 -1.368 3.485 1.567 73 HD11 LEU 10 HD11 LEU 10 -0.037 1.529 0.962 74 HD12 LEU 10 HD12 LEU 10 1.439 2.424 1.322 75 HD13 LEU 10 HD13 LEU 10 0.394 2.940 -0.004 76 HD21 LEU 10 HD21 LEU 10 -0.854 1.796 3.266 77 HD22 LEU 10 HD22 LEU 10 -1.026 3.403 3.972 78 HD23 LEU 10 HD23 LEU 10 0.577 2.714 3.739 79 H ARG 11 HN ARG 11 -1.378 7.255 1.641 80 HA ARG 11 HA ARG 11 -3.906 6.440 0.946 81 HB2 ARG 11 HB2 ARG 11 -3.498 8.241 2.503 82 HB3 ARG 11 HB1 ARG 11 -2.767 9.222 1.249 83 HG2 ARG 11 HG2 ARG 11 -4.985 9.327 0.135 84 HG3 ARG 11 HG1 ARG 11 -5.664 8.473 1.524 85 HD2 ARG 11 HD2 ARG 11 -4.162 11.087 1.679 86 HD3 ARG 11 HD1 ARG 11 -5.914 10.950 1.633 87 HE ARG 11 HE ARG 11 -5.347 9.436 3.735 88 HH11 ARG 11 HH11 ARG 11 -3.958 12.607 2.897 89 HH12 ARG 11 HH12 ARG 11 -3.958 13.177 4.497 90 HH21 ARG 11 HH21 ARG 11 -5.225 10.226 5.992 91 HH22 ARG 11 HH22 ARG 11 -4.701 11.807 6.272 92 H ARG 12 HN ARG 12 -1.920 8.820 -0.856 93 HA ARG 12 HA ARG 12 -3.780 8.984 -2.989 94 HB2 ARG 12 HB2 ARG 12 -0.876 9.818 -2.915 95 HB3 ARG 12 HB1 ARG 12 -2.015 10.243 -4.184 96 HG2 ARG 12 HG2 ARG 12 -3.384 11.440 -2.532 97 HG3 ARG 12 HG1 ARG 12 -2.196 11.045 -1.290 98 HD2 ARG 12 HD2 ARG 12 -0.486 12.253 -2.588 99 HD3 ARG 12 HD1 ARG 12 -1.716 12.690 -3.773 100 HE ARG 12 HE ARG 12 -1.879 13.462 -0.949 101 HH11 ARG 12 HH11 ARG 12 -1.931 14.361 -4.395 102 HH12 ARG 12 HH12 ARG 12 -2.389 15.972 -4.115 103 HH21 ARG 12 HH21 ARG 12 -2.611 15.694 -0.597 104 HH22 ARG 12 HH22 ARG 12 -2.802 16.734 -1.937 105 H ALA 13 HN ALA 13 -0.835 7.108 -2.509 106 HA ALA 13 HA ALA 13 -0.549 6.169 -5.144 107 HB1 ALA 13 HB1 ALA 13 1.228 6.050 -3.462 108 HB2 ALA 13 HB2 ALA 13 0.928 4.485 -4.220 109 HB3 ALA 13 HB3 ALA 13 0.315 4.812 -2.599 110 H LEU 14 HN LEU 14 -2.496 5.003 -2.492 111 HA LEU 14 HA LEU 14 -3.196 2.557 -3.794 112 HB2 LEU 14 HB2 LEU 14 -3.142 2.817 -1.416 113 HB3 LEU 14 HB1 LEU 14 -4.456 3.984 -1.438 114 HG LEU 14 HG LEU 14 -5.924 2.125 -2.349 115 HD11 LEU 14 HD11 LEU 14 -4.165 0.694 -3.217 116 HD12 LEU 14 HD12 LEU 14 -5.156 -0.170 -2.042 117 HD13 LEU 14 HD13 LEU 14 -3.560 0.426 -1.582 118 HD21 LEU 14 HD21 LEU 14 -6.212 1.025 -0.180 119 HD22 LEU 14 HD22 LEU 14 -5.996 2.764 0.003 120 HD23 LEU 14 HD23 LEU 14 -4.657 1.671 0.350 121 H VAL 15 HN VAL 15 -4.621 5.759 -3.466 122 HA VAL 15 HA VAL 15 -7.080 5.242 -4.739 123 HB VAL 15 HB VAL 15 -5.492 7.840 -4.592 124 HG11 VAL 15 HG11 VAL 15 -7.598 8.980 -5.117 125 HG12 VAL 15 HG12 VAL 15 -8.386 7.420 -5.352 126 HG13 VAL 15 HG13 VAL 15 -7.093 7.931 -6.439 127 HG21 VAL 15 HG21 VAL 15 -7.821 6.836 -2.961 128 HG22 VAL 15 HG22 VAL 15 -7.061 8.422 -2.805 129 HG23 VAL 15 HG23 VAL 15 -6.148 6.964 -2.420 130 H GLU 16 HN GLU 16 -3.916 6.090 -5.979 131 HA GLU 16 HA GLU 16 -4.417 6.458 -8.686 132 HB2 GLU 16 HB2 GLU 16 -2.058 5.136 -7.343 133 HB3 GLU 16 HB1 GLU 16 -2.097 5.576 -9.039 134 HG2 GLU 16 HG2 GLU 16 -2.376 7.518 -6.758 135 HG3 GLU 16 HG1 GLU 16 -0.875 7.173 -7.612 136 H SER 17 HN SER 17 -4.231 3.449 -6.852 137 HA SER 17 HA SER 17 -4.220 1.752 -9.159 138 HB2 SER 17 HB2 SER 17 -4.801 1.089 -6.268 139 HB3 SER 17 HB1 SER 17 -4.413 -0.063 -7.547 140 HG SER 17 HG SER 17 -2.725 0.770 -6.035 141 H ALA 18 HN ALA 18 -6.616 3.278 -7.196 142 HA ALA 18 HA ALA 18 -8.750 1.506 -7.962 143 HB1 ALA 18 HB1 ALA 18 -8.822 2.697 -5.821 144 HB2 ALA 18 HB2 ALA 18 -10.208 3.109 -6.831 145 HB3 ALA 18 HB3 ALA 18 -8.859 4.237 -6.679 146 H GLY 19 HN GLY 19 -7.539 4.638 -8.894 147 HA2 GLY 19 HA2 GLY 19 -7.649 5.239 -11.245 148 HA3 GLY 19 HA1 GLY 19 -9.254 4.503 -11.284 149 H GLU 20 HN GLU 20 -8.360 7.250 -11.882 150 HA GLU 20 HA GLU 20 -8.949 9.379 -11.591 151 HB2 GLU 20 HB2 GLU 20 -11.244 8.092 -10.108 152 HB3 GLU 20 HB1 GLU 20 -11.139 9.826 -10.377 153 HG2 GLU 20 HG2 GLU 20 -11.192 7.735 -12.537 154 HG3 GLU 20 HG1 GLU 20 -12.574 8.699 -12.005 155 H THR 21 HN THR 21 -9.667 11.036 -9.706 156 HA THR 21 HA THR 21 -7.809 10.519 -7.519 157 HB THR 21 HB THR 21 -9.158 13.157 -8.152 158 HG1 THR 21 HG1 THR 21 -6.619 12.477 -9.225 159 HG21 THR 21 HG21 THR 21 -7.082 14.065 -7.207 160 HG22 THR 21 HG22 THR 21 -6.451 12.429 -7.002 161 HG23 THR 21 HG23 THR 21 -7.851 12.958 -6.073 162 H ASP 22 HN ASP 22 -10.382 9.298 -7.795 163 HA ASP 22 HA ASP 22 -11.770 10.233 -5.379 164 HB2 ASP 22 HB2 ASP 22 -13.162 9.561 -7.998 165 HB3 ASP 22 HB1 ASP 22 -13.962 9.905 -6.476 166 H GLY 23 HN GLY 23 -9.992 8.153 -5.638 167 HA2 GLY 23 HA2 GLY 23 -11.060 5.651 -6.423 168 HA3 GLY 23 HA1 GLY 23 -9.737 5.881 -5.284 169 H THR 24 HN THR 24 -10.687 7.005 -3.198 170 HA THR 24 HA THR 24 -13.212 6.322 -2.318 171 HB THR 24 HB THR 24 -12.351 3.985 -2.237 172 HG1 THR 24 HG1 THR 24 -13.268 3.640 -0.385 173 HG21 THR 24 HG21 THR 24 -10.467 3.366 -0.765 174 HG22 THR 24 HG22 THR 24 -10.179 5.074 -0.427 175 HG23 THR 24 HG23 THR 24 -9.952 4.450 -2.059 176 H ASP 25 HN ASP 25 -12.693 6.375 0.407 177 HA ASP 25 HA ASP 25 -11.108 8.838 0.536 178 HB2 ASP 25 HB2 ASP 25 -13.482 9.337 0.907 179 HB3 ASP 25 HB1 ASP 25 -13.510 8.204 2.257 180 H LEU 26 HN LEU 26 -9.286 8.404 1.317 181 HA LEU 26 HA LEU 26 -9.019 6.519 3.551 182 HB2 LEU 26 HB2 LEU 26 -6.979 7.591 1.596 183 HB3 LEU 26 HB1 LEU 26 -6.666 6.405 2.845 184 HG LEU 26 HG LEU 26 -8.511 5.985 0.491 185 HD11 LEU 26 HD11 LEU 26 -6.193 6.148 -0.204 186 HD12 LEU 26 HD12 LEU 26 -6.785 4.496 -0.347 187 HD13 LEU 26 HD13 LEU 26 -5.734 4.941 0.997 188 HD21 LEU 26 HD21 LEU 26 -8.491 3.637 1.197 189 HD22 LEU 26 HD22 LEU 26 -9.161 4.683 2.451 190 HD23 LEU 26 HD23 LEU 26 -7.517 4.070 2.603 191 H SER 27 HN SER 27 -10.011 9.113 3.979 192 HA SER 27 HA SER 27 -7.782 10.716 4.906 193 HB2 SER 27 HB2 SER 27 -10.729 11.341 4.953 194 HB3 SER 27 HB1 SER 27 -9.402 12.481 5.204 195 HG SER 27 HG SER 27 -10.465 11.488 2.904 196 H GLY 28 HN GLY 28 -9.547 8.312 6.088 197 HA2 GLY 28 HA2 GLY 28 -9.498 9.310 8.854 198 HA3 GLY 28 HA1 GLY 28 -10.390 7.888 8.299 199 H ASP 29 HN ASP 29 -9.171 6.885 10.145 200 HA ASP 29 HA ASP 29 -6.355 6.450 9.595 201 HB2 ASP 29 HB2 ASP 29 -7.365 6.560 11.958 202 HB3 ASP 29 HB1 ASP 29 -7.986 4.945 11.640 203 H PHE 30 HN PHE 30 -6.511 5.579 7.627 204 HA PHE 30 HA PHE 30 -8.084 3.221 7.172 205 HB2 PHE 30 HB2 PHE 30 -7.395 3.361 4.864 206 HB3 PHE 30 HB1 PHE 30 -7.863 4.957 5.425 207 HD1 PHE 30 HD1 PHE 30 -6.020 6.615 5.989 208 HD2 PHE 30 HD2 PHE 30 -5.289 2.961 3.941 209 HE1 PHE 30 HE1 PHE 30 -3.886 7.502 5.163 210 HE2 PHE 30 HE2 PHE 30 -3.147 3.844 3.120 211 HZ PHE 30 HZ PHE 30 -2.447 6.118 3.730 212 H LEU 31 HN LEU 31 -5.279 3.620 8.709 213 HA LEU 31 HA LEU 31 -3.701 1.680 7.383 214 HB2 LEU 31 HB2 LEU 31 -3.418 2.923 10.114 215 HB3 LEU 31 HB1 LEU 31 -2.340 1.673 9.531 216 HG LEU 31 HG LEU 31 -1.262 3.774 9.267 217 HD11 LEU 31 HD11 LEU 31 -0.805 3.823 6.872 218 HD12 LEU 31 HD12 LEU 31 -2.198 2.774 6.600 219 HD13 LEU 31 HD13 LEU 31 -0.822 2.187 7.534 220 HD21 LEU 31 HD21 LEU 31 -3.640 4.683 7.647 221 HD22 LEU 31 HD22 LEU 31 -2.142 5.590 7.867 222 HD23 LEU 31 HD23 LEU 31 -3.189 5.264 9.248 223 H ASP 32 HN ASP 32 -5.973 1.513 10.070 224 HA ASP 32 HA ASP 32 -5.508 -1.375 10.101 225 HB2 ASP 32 HB2 ASP 32 -6.738 -1.522 12.170 226 HB3 ASP 32 HB1 ASP 32 -5.576 -0.216 12.326 227 H LEU 33 HN LEU 33 -7.332 0.750 8.510 228 HA LEU 33 HA LEU 33 -9.852 -0.603 8.407 229 HB2 LEU 33 HB2 LEU 33 -9.697 1.771 7.900 230 HB3 LEU 33 HB1 LEU 33 -8.545 1.464 6.626 231 HG LEU 33 HG LEU 33 -10.319 0.375 5.303 232 HD11 LEU 33 HD11 LEU 33 -12.138 1.249 7.538 233 HD12 LEU 33 HD12 LEU 33 -11.724 -0.416 7.128 234 HD13 LEU 33 HD13 LEU 33 -12.647 0.567 5.992 235 HD21 LEU 33 HD21 LEU 33 -9.835 2.738 5.008 236 HD22 LEU 33 HD22 LEU 33 -10.989 3.145 6.278 237 HD23 LEU 33 HD23 LEU 33 -11.553 2.414 4.776 238 H ARG 34 HN ARG 34 -9.943 -2.544 7.638 239 HA ARG 34 HA ARG 34 -7.829 -3.829 6.242 240 HB2 ARG 34 HB2 ARG 34 -10.653 -4.813 6.399 241 HB3 ARG 34 HB1 ARG 34 -9.202 -5.755 6.116 242 HG2 ARG 34 HG2 ARG 34 -8.459 -5.295 8.383 243 HG3 ARG 34 HG1 ARG 34 -9.919 -4.328 8.663 244 HD2 ARG 34 HD2 ARG 34 -9.729 -7.273 8.080 245 HD3 ARG 34 HD1 ARG 34 -10.346 -6.494 9.539 246 HE ARG 34 HE ARG 34 -12.029 -5.490 7.836 247 HH11 ARG 34 HH11 ARG 34 -10.807 -8.833 7.890 248 HH12 ARG 34 HH12 ARG 34 -12.150 -9.464 7.070 249 HH21 ARG 34 HH21 ARG 34 -13.884 -6.386 6.733 250 HH22 ARG 34 HH22 ARG 34 -13.885 -8.073 6.360 251 H PHE 35 HN PHE 35 -7.696 -4.639 4.201 252 HA PHE 35 HA PHE 35 -8.791 -3.058 2.138 253 HB2 PHE 35 HB2 PHE 35 -7.265 -5.650 2.050 254 HB3 PHE 35 HB1 PHE 35 -7.794 -4.801 0.606 255 HD1 PHE 35 HD2 PHE 35 -7.177 -2.156 0.759 256 HD2 PHE 35 HD1 PHE 35 -5.081 -5.357 2.611 257 HE1 PHE 35 HE2 PHE 35 -5.131 -0.799 0.776 258 HE2 PHE 35 HE1 PHE 35 -3.030 -4.004 2.634 259 HZ PHE 35 HZ PHE 35 -3.051 -1.727 1.710 260 H GLU 36 HN GLU 36 -9.760 -6.056 3.585 261 HA GLU 36 HA GLU 36 -11.582 -6.863 1.587 262 HB2 GLU 36 HB2 GLU 36 -10.821 -8.376 3.410 263 HB3 GLU 36 HB1 GLU 36 -11.748 -7.419 4.564 264 HG2 GLU 36 HG2 GLU 36 -13.803 -7.968 3.288 265 HG3 GLU 36 HG1 GLU 36 -12.841 -9.022 2.263 266 H ASP 37 HN ASP 37 -11.738 -4.408 4.022 267 HA ASP 37 HA ASP 37 -14.621 -4.192 3.917 268 HB2 ASP 37 HB2 ASP 37 -12.557 -2.450 5.279 269 HB3 ASP 37 HB1 ASP 37 -14.287 -2.134 5.330 270 H ILE 38 HN ILE 38 -11.829 -2.535 2.607 271 HA ILE 38 HA ILE 38 -13.600 -0.652 1.306 272 HB ILE 38 HB ILE 38 -11.528 0.428 0.394 273 HG12 ILE 38 HG12 ILE 38 -10.120 -1.546 2.222 274 HG13 ILE 38 HG11 ILE 38 -10.037 -1.532 0.466 275 HG21 ILE 38 HG21 ILE 38 -12.620 1.263 2.374 276 HG22 ILE 38 HG22 ILE 38 -10.872 1.421 2.539 277 HG23 ILE 38 HG23 ILE 38 -11.725 0.126 3.381 278 HD11 ILE 38 HD11 ILE 38 -8.035 -0.576 1.443 279 HD12 ILE 38 HD12 ILE 38 -9.006 0.615 2.310 280 HD13 ILE 38 HD13 ILE 38 -8.927 0.654 0.549 281 H GLY 39 HN GLY 39 -13.230 -3.558 0.633 282 HA2 GLY 39 HA2 GLY 39 -13.592 -4.843 -1.229 283 HA3 GLY 39 HA1 GLY 39 -14.005 -3.353 -2.055 284 H TYR 40 HN TYR 40 -10.915 -4.547 -0.703 285 HA TYR 40 HA TYR 40 -9.779 -4.170 -3.346 286 HB2 TYR 40 HB2 TYR 40 -8.927 -3.482 -0.646 287 HB3 TYR 40 HB1 TYR 40 -7.681 -4.184 -1.664 288 HD1 TYR 40 HD1 TYR 40 -10.239 -1.483 -1.546 289 HD2 TYR 40 HD2 TYR 40 -6.610 -2.862 -3.245 290 HE1 TYR 40 HE1 TYR 40 -9.949 0.681 -2.670 291 HE2 TYR 40 HE2 TYR 40 -6.293 -0.733 -4.362 292 HH TYR 40 HH TYR 40 -7.626 1.083 -5.123 293 H ASP 41 HN ASP 41 -9.040 -5.858 -4.331 294 HA ASP 41 HA ASP 41 -8.620 -8.366 -2.849 295 HB2 ASP 41 HB2 ASP 41 -8.626 -7.922 -5.860 296 HB3 ASP 41 HB1 ASP 41 -8.490 -9.470 -5.051 297 H SER 42 HN SER 42 -6.685 -9.658 -3.904 298 HA SER 42 HA SER 42 -4.389 -8.368 -3.072 299 HB2 SER 42 HB2 SER 42 -4.702 -10.857 -4.731 300 HB3 SER 42 HB1 SER 42 -3.197 -10.343 -3.948 301 H LEU 43 HN LEU 43 -5.597 -8.695 -6.388 302 HA LEU 43 HA LEU 43 -3.199 -7.975 -7.666 303 HB2 LEU 43 HB2 LEU 43 -6.050 -7.874 -8.591 304 HB3 LEU 43 HB1 LEU 43 -4.784 -7.189 -9.579 305 HG LEU 43 HG LEU 43 -5.322 -9.389 -10.372 306 HD11 LEU 43 HD11 LEU 43 -3.132 -10.460 -10.288 307 HD12 LEU 43 HD12 LEU 43 -2.660 -9.376 -8.978 308 HD13 LEU 43 HD13 LEU 43 -3.022 -8.724 -10.576 309 HD21 LEU 43 HD21 LEU 43 -4.619 -10.393 -7.616 310 HD22 LEU 43 HD22 LEU 43 -4.979 -11.400 -9.019 311 HD23 LEU 43 HD23 LEU 43 -6.229 -10.365 -8.334 312 H ALA 44 HN ALA 44 -5.860 -5.940 -6.595 313 HA ALA 44 HA ALA 44 -4.816 -3.526 -7.608 314 HB1 ALA 44 HB1 ALA 44 -7.141 -3.783 -6.902 315 HB2 ALA 44 HB2 ALA 44 -6.364 -2.424 -6.091 316 HB3 ALA 44 HB3 ALA 44 -6.611 -3.947 -5.228 317 H LEU 45 HN LEU 45 -4.225 -5.314 -4.691 318 HA LEU 45 HA LEU 45 -2.871 -3.224 -3.317 319 HB2 LEU 45 HB2 LEU 45 -2.522 -6.186 -2.924 320 HB3 LEU 45 HB1 LEU 45 -2.152 -4.924 -1.772 321 HG LEU 45 HG LEU 45 -4.887 -5.760 -2.696 322 HD11 LEU 45 HD11 LEU 45 -3.519 -5.950 -0.032 323 HD12 LEU 45 HD12 LEU 45 -3.875 -7.293 -1.120 324 HD13 LEU 45 HD13 LEU 45 -5.194 -6.396 -0.357 325 HD21 LEU 45 HD21 LEU 45 -4.080 -3.590 -0.786 326 HD22 LEU 45 HD22 LEU 45 -5.732 -4.114 -1.120 327 HD23 LEU 45 HD23 LEU 45 -4.767 -3.354 -2.390 328 H MET 46 HN MET 46 -1.958 -5.900 -5.352 329 HA MET 46 HA MET 46 0.847 -5.636 -5.161 330 HB2 MET 46 HB2 MET 46 -0.852 -6.831 -7.363 331 HB3 MET 46 HB1 MET 46 0.893 -7.026 -7.227 332 HG2 MET 46 HG2 MET 46 0.679 -8.252 -5.203 333 HG3 MET 46 HG1 MET 46 -1.041 -7.864 -5.096 334 HE1 MET 46 HE1 MET 46 -1.698 -10.351 -4.691 335 HE2 MET 46 HE2 MET 46 0.013 -10.783 -4.703 336 HE3 MET 46 HE3 MET 46 -1.135 -11.695 -5.683 337 H GLU 47 HN GLU 47 -1.532 -4.384 -7.443 338 HA GLU 47 HA GLU 47 0.108 -2.973 -9.205 339 HB2 GLU 47 HB2 GLU 47 -2.352 -3.359 -9.406 340 HB3 GLU 47 HB1 GLU 47 -2.613 -2.189 -8.131 341 HG2 GLU 47 HG2 GLU 47 -3.081 -1.163 -10.235 342 HG3 GLU 47 HG1 GLU 47 -1.614 -0.446 -9.571 343 H THR 48 HN THR 48 -1.306 -2.022 -6.136 344 HA THR 48 HA THR 48 -0.380 0.608 -5.944 345 HB THR 48 HB THR 48 -1.001 -1.417 -3.778 346 HG1 THR 48 HG1 THR 48 -2.849 -1.163 -4.905 347 HG21 THR 48 HG21 THR 48 0.230 0.533 -2.897 348 HG22 THR 48 HG22 THR 48 -1.447 0.520 -2.353 349 HG23 THR 48 HG23 THR 48 -0.949 1.614 -3.650 350 H ALA 49 HN ALA 49 0.964 -2.371 -4.455 351 HA ALA 49 HA ALA 49 3.256 -1.179 -3.379 352 HB1 ALA 49 HB1 ALA 49 2.427 -3.379 -2.683 353 HB2 ALA 49 HB2 ALA 49 4.125 -3.445 -3.146 354 HB3 ALA 49 HB3 ALA 49 2.886 -4.044 -4.250 355 H ALA 50 HN ALA 50 2.703 -2.687 -6.524 356 HA ALA 50 HA ALA 50 5.347 -2.734 -7.395 357 HB1 ALA 50 HB1 ALA 50 2.871 -2.534 -9.079 358 HB2 ALA 50 HB2 ALA 50 3.547 -4.023 -8.418 359 HB3 ALA 50 HB3 ALA 50 4.460 -3.088 -9.604 360 H ARG 51 HN ARG 51 2.922 -0.153 -7.632 361 HA ARG 51 HA ARG 51 4.539 1.420 -9.371 362 HB2 ARG 51 HB2 ARG 51 3.017 3.223 -9.087 363 HB3 ARG 51 HB1 ARG 51 2.030 1.780 -8.994 364 HG2 ARG 51 HG2 ARG 51 1.944 1.995 -6.554 365 HG3 ARG 51 HG1 ARG 51 2.963 3.431 -6.642 366 HD2 ARG 51 HD2 ARG 51 0.741 4.226 -6.433 367 HD3 ARG 51 HD1 ARG 51 1.174 4.446 -8.126 368 HE ARG 51 HE ARG 51 -0.747 2.592 -6.994 369 HH11 ARG 51 HH11 ARG 51 0.826 3.839 -9.969 370 HH12 ARG 51 HH12 ARG 51 -0.203 2.937 -11.004 371 HH21 ARG 51 HH21 ARG 51 -2.144 1.476 -8.504 372 HH22 ARG 51 HH22 ARG 51 -1.858 1.639 -10.210 373 H LEU 52 HN LEU 52 4.347 1.003 -5.959 374 HA LEU 52 HA LEU 52 5.940 3.256 -5.268 375 HB2 LEU 52 HB2 LEU 52 5.285 0.772 -3.682 376 HB3 LEU 52 HB1 LEU 52 6.039 2.215 -3.033 377 HG LEU 52 HG LEU 52 3.253 2.054 -4.184 378 HD11 LEU 52 HD11 LEU 52 3.424 0.921 -2.042 379 HD12 LEU 52 HD12 LEU 52 2.510 2.423 -1.891 380 HD13 LEU 52 HD13 LEU 52 4.180 2.350 -1.335 381 HD21 LEU 52 HD21 LEU 52 3.003 4.345 -3.347 382 HD22 LEU 52 HD22 LEU 52 4.269 4.230 -4.569 383 HD23 LEU 52 HD23 LEU 52 4.700 4.348 -2.862 384 H GLU 53 HN GLU 53 6.525 -0.123 -5.957 385 HA GLU 53 HA GLU 53 9.205 -0.398 -5.293 386 HB2 GLU 53 HB2 GLU 53 7.769 -1.453 -7.723 387 HB3 GLU 53 HB1 GLU 53 9.372 -1.950 -7.227 388 HG2 GLU 53 HG2 GLU 53 8.354 -2.785 -5.112 389 HG3 GLU 53 HG1 GLU 53 6.769 -2.444 -5.826 390 H SER 54 HN SER 54 7.865 0.501 -8.438 391 HA SER 54 HA SER 54 10.262 1.111 -9.711 392 HB2 SER 54 HB2 SER 54 7.529 2.224 -10.309 393 HB3 SER 54 HB1 SER 54 8.866 1.990 -11.439 394 HG SER 54 HG SER 54 8.694 -0.311 -10.786 395 H ARG 55 HN ARG 55 8.248 3.002 -7.629 396 HA ARG 55 HA ARG 55 9.270 5.558 -8.450 397 HB2 ARG 55 HB2 ARG 55 6.962 5.241 -7.674 398 HB3 ARG 55 HB1 ARG 55 7.557 4.772 -6.094 399 HG2 ARG 55 HG2 ARG 55 6.736 7.045 -6.063 400 HG3 ARG 55 HG1 ARG 55 8.479 7.026 -5.792 401 HD2 ARG 55 HD2 ARG 55 7.760 8.801 -7.308 402 HD3 ARG 55 HD1 ARG 55 8.882 7.676 -8.073 403 HE ARG 55 HE ARG 55 6.092 7.070 -8.463 404 HH11 ARG 55 HH11 ARG 55 8.805 8.998 -9.705 405 HH12 ARG 55 HH12 ARG 55 8.305 8.947 -11.328 406 HH21 ARG 55 HH21 ARG 55 5.422 6.933 -10.711 407 HH22 ARG 55 HH22 ARG 55 6.329 7.721 -11.920 408 H TYR 56 HN TYR 56 9.721 3.421 -5.629 409 HA TYR 56 HA TYR 56 11.629 5.366 -4.592 410 HB2 TYR 56 HB2 TYR 56 10.089 3.198 -3.176 411 HB3 TYR 56 HB1 TYR 56 11.384 4.114 -2.407 412 HD1 TYR 56 HD2 TYR 56 8.042 4.430 -3.989 413 HD2 TYR 56 HD1 TYR 56 11.018 6.316 -1.618 414 HE1 TYR 56 HE2 TYR 56 6.483 6.270 -3.509 415 HE2 TYR 56 HE1 TYR 56 9.470 8.160 -1.136 416 HH TYR 56 HH TYR 56 6.112 8.074 -2.091 417 H GLY 57 HN GLY 57 11.724 2.418 -6.193 418 HA2 GLY 57 HA2 GLY 57 13.652 1.378 -6.928 419 HA3 GLY 57 HA1 GLY 57 14.589 2.376 -5.826 420 H VAL 58 HN VAL 58 12.060 -0.071 -5.583 421 HA VAL 58 HA VAL 58 13.735 -1.678 -3.854 422 HB VAL 58 HB VAL 58 12.529 -0.159 -2.306 423 HG11 VAL 58 HG11 VAL 58 9.984 -1.281 -3.457 424 HG12 VAL 58 HG12 VAL 58 10.560 0.380 -3.592 425 HG13 VAL 58 HG13 VAL 58 10.091 -0.268 -2.018 426 HG21 VAL 58 HG21 VAL 58 11.510 -1.853 -0.848 427 HG22 VAL 58 HG22 VAL 58 13.045 -2.390 -1.529 428 HG23 VAL 58 HG23 VAL 58 11.528 -2.995 -2.190 429 H SER 59 HN SER 59 13.360 -3.820 -4.259 430 HA SER 59 HA SER 59 11.113 -4.412 -6.044 431 HB2 SER 59 HB2 SER 59 13.707 -5.901 -5.612 432 HB3 SER 59 HB1 SER 59 12.418 -6.405 -6.712 433 HG SER 59 HG SER 59 12.691 -4.116 -7.522 434 H ILE 60 HN ILE 60 9.466 -5.418 -5.238 435 HA ILE 60 HA ILE 60 9.817 -7.246 -2.969 436 HB ILE 60 HB ILE 60 7.667 -5.106 -3.224 437 HG12 ILE 60 HG12 ILE 60 9.826 -5.486 -1.135 438 HG13 ILE 60 HG11 ILE 60 9.863 -4.295 -2.425 439 HG21 ILE 60 HG21 ILE 60 6.701 -7.162 -2.330 440 HG22 ILE 60 HG22 ILE 60 6.799 -5.926 -1.074 441 HG23 ILE 60 HG23 ILE 60 7.971 -7.241 -1.108 442 HD11 ILE 60 HD11 ILE 60 7.865 -4.417 -0.184 443 HD12 ILE 60 HD12 ILE 60 7.898 -3.216 -1.477 444 HD13 ILE 60 HD13 ILE 60 9.223 -3.299 -0.317 445 HA PRO 61 HA PRO 61 7.773 -9.954 -5.866 446 HB2 PRO 61 HB2 PRO 61 7.045 -11.415 -3.387 447 HB3 PRO 61 HB1 PRO 61 7.873 -11.999 -4.836 448 HG2 PRO 61 HG2 PRO 61 9.199 -11.563 -2.564 449 HG3 PRO 61 HG1 PRO 61 9.925 -11.214 -4.142 450 HD2 PRO 61 HD2 PRO 61 8.799 -9.346 -2.115 451 HD3 PRO 61 HD1 PRO 61 10.186 -9.137 -3.202 452 H ASP 62 HN ASP 62 5.818 -10.000 -6.664 453 HA ASP 62 HA ASP 62 3.741 -8.384 -5.785 454 HB2 ASP 62 HB2 ASP 62 2.361 -9.367 -7.531 455 HB3 ASP 62 HB1 ASP 62 3.995 -9.134 -8.131 456 H ASP 63 HN ASP 63 4.236 -11.820 -5.216 457 HA ASP 63 HA ASP 63 1.630 -12.351 -4.263 458 HB2 ASP 63 HB2 ASP 63 2.395 -14.494 -3.597 459 HB3 ASP 63 HB1 ASP 63 3.332 -14.085 -5.024 460 H VAL 64 HN VAL 64 4.299 -10.815 -2.782 461 HA VAL 64 HA VAL 64 3.649 -11.341 -0.048 462 HB VAL 64 HB VAL 64 5.201 -9.049 -1.255 463 HG11 VAL 64 HG11 VAL 64 4.534 -8.594 1.061 464 HG12 VAL 64 HG12 VAL 64 6.274 -8.866 0.979 465 HG13 VAL 64 HG13 VAL 64 5.208 -10.140 1.575 466 HG21 VAL 64 HG21 VAL 64 6.190 -11.699 -0.207 467 HG22 VAL 64 HG22 VAL 64 7.224 -10.357 -0.699 468 HG23 VAL 64 HG23 VAL 64 6.195 -11.159 -1.887 469 H ALA 65 HN ALA 65 2.737 -8.941 -2.418 470 HA ALA 65 HA ALA 65 1.516 -7.156 -0.539 471 HB1 ALA 65 HB1 ALA 65 1.213 -7.290 -3.531 472 HB2 ALA 65 HB2 ALA 65 2.428 -6.350 -2.658 473 HB3 ALA 65 HB3 ALA 65 0.714 -5.956 -2.494 474 H GLY 66 HN GLY 66 0.603 -10.104 -1.740 475 HA2 GLY 66 HA2 GLY 66 -2.260 -9.518 -1.485 476 HA3 GLY 66 HA1 GLY 66 -1.571 -10.991 -2.158 477 H ARG 67 HN ARG 67 -0.093 -9.840 0.692 478 HA ARG 67 HA ARG 67 -1.485 -11.941 2.274 479 HB2 ARG 67 HB2 ARG 67 1.224 -10.739 2.811 480 HB3 ARG 67 HB1 ARG 67 0.505 -12.137 3.591 481 HG2 ARG 67 HG2 ARG 67 0.713 -13.414 1.553 482 HG3 ARG 67 HG1 ARG 67 1.334 -11.990 0.701 483 HD2 ARG 67 HD2 ARG 67 3.138 -11.893 2.438 484 HD3 ARG 67 HD1 ARG 67 2.587 -13.471 2.987 485 HE ARG 67 HE ARG 67 3.008 -13.835 0.351 486 HH11 ARG 67 HH11 ARG 67 4.968 -12.500 2.972 487 HH12 ARG 67 HH12 ARG 67 6.464 -13.014 2.375 488 HH21 ARG 67 HH21 ARG 67 5.104 -14.448 -0.612 489 HH22 ARG 67 HH22 ARG 67 6.538 -14.173 0.277 490 H VAL 68 HN VAL 68 -1.468 -8.747 1.815 491 HA VAL 68 HA VAL 68 -1.354 -8.012 4.624 492 HB VAL 68 HB VAL 68 -1.305 -5.635 3.814 493 HG11 VAL 68 HG11 VAL 68 1.010 -5.753 3.022 494 HG12 VAL 68 HG12 VAL 68 0.819 -7.485 2.751 495 HG13 VAL 68 HG13 VAL 68 0.720 -6.831 4.386 496 HG21 VAL 68 HG21 VAL 68 -0.992 -6.933 1.104 497 HG22 VAL 68 HG22 VAL 68 -0.736 -5.230 1.458 498 HG23 VAL 68 HG23 VAL 68 -2.355 -5.929 1.612 499 H ASP 69 HN ASP 69 -3.050 -7.797 5.753 500 HA ASP 69 HA ASP 69 -5.672 -7.918 4.522 501 HB2 ASP 69 HB2 ASP 69 -4.969 -9.325 6.503 502 HB3 ASP 69 HB1 ASP 69 -4.893 -7.847 7.446 503 H THR 70 HN THR 70 -3.625 -5.811 6.383 504 HA THR 70 HA THR 70 -5.531 -3.610 6.013 505 HB THR 70 HB THR 70 -4.510 -2.609 8.094 506 HG1 THR 70 HG1 THR 70 -3.208 -5.138 8.086 507 HG21 THR 70 HG21 THR 70 -5.821 -5.314 8.425 508 HG22 THR 70 HG22 THR 70 -6.660 -3.780 8.200 509 HG23 THR 70 HG23 THR 70 -5.727 -4.068 9.668 510 HA PRO 71 HA PRO 71 -2.461 -1.452 3.621 511 HB2 PRO 71 HB2 PRO 71 -3.323 0.981 5.101 512 HB3 PRO 71 HB1 PRO 71 -3.259 0.683 3.359 513 HG2 PRO 71 HG2 PRO 71 -5.587 0.667 4.583 514 HG3 PRO 71 HG1 PRO 71 -5.215 -0.586 3.376 515 HD2 PRO 71 HD2 PRO 71 -5.122 -0.767 6.373 516 HD3 PRO 71 HD1 PRO 71 -5.828 -1.906 5.207 517 H ARG 72 HN ARG 72 -2.506 -1.023 7.077 518 HA ARG 72 HA ARG 72 -0.108 0.368 7.450 519 HB2 ARG 72 HB2 ARG 72 -1.667 0.016 9.258 520 HB3 ARG 72 HB1 ARG 72 -1.455 -1.724 9.158 521 HG2 ARG 72 HG2 ARG 72 0.805 -1.535 9.969 522 HG3 ARG 72 HG1 ARG 72 0.693 0.228 9.955 523 HD2 ARG 72 HD2 ARG 72 -1.068 -1.590 11.591 524 HD3 ARG 72 HD1 ARG 72 0.370 -0.772 12.203 525 HE ARG 72 HE ARG 72 -0.866 1.296 11.345 526 HH11 ARG 72 HH11 ARG 72 -2.334 -1.468 13.033 527 HH12 ARG 72 HH12 ARG 72 -3.579 -0.553 13.749 528 HH21 ARG 72 HH21 ARG 72 -2.654 2.559 12.333 529 HH22 ARG 72 HH22 ARG 72 -3.778 1.744 13.312 530 H GLU 73 HN GLU 73 -0.770 -3.012 6.888 531 HA GLU 73 HA GLU 73 1.871 -3.979 7.352 532 HB2 GLU 73 HB2 GLU 73 -0.382 -5.189 5.758 533 HB3 GLU 73 HB1 GLU 73 1.030 -6.039 6.379 534 HG2 GLU 73 HG2 GLU 73 0.314 -5.670 8.639 535 HG3 GLU 73 HG1 GLU 73 -1.032 -4.680 8.082 536 H LEU 74 HN LEU 74 0.002 -3.016 4.531 537 HA LEU 74 HA LEU 74 1.876 -3.747 2.540 538 HB2 LEU 74 HB2 LEU 74 -0.595 -3.215 2.226 539 HB3 LEU 74 HB1 LEU 74 -0.195 -1.527 2.406 540 HG LEU 74 HG LEU 74 -0.637 -2.270 0.065 541 HD11 LEU 74 HD11 LEU 74 2.153 -1.217 0.514 542 HD12 LEU 74 HD12 LEU 74 0.678 -0.258 0.408 543 HD13 LEU 74 HD13 LEU 74 1.254 -1.146 -1.002 544 HD21 LEU 74 HD21 LEU 74 1.929 -3.810 0.393 545 HD22 LEU 74 HD22 LEU 74 1.073 -3.555 -1.128 546 HD23 LEU 74 HD23 LEU 74 0.316 -4.487 0.164 547 H LEU 75 HN LEU 75 1.315 -0.774 4.337 548 HA LEU 75 HA LEU 75 3.237 0.912 3.199 549 HB2 LEU 75 HB2 LEU 75 1.480 1.627 4.765 550 HB3 LEU 75 HB1 LEU 75 2.251 0.732 6.051 551 HG LEU 75 HG LEU 75 4.221 2.291 5.868 552 HD11 LEU 75 HD11 LEU 75 3.935 4.363 4.666 553 HD12 LEU 75 HD12 LEU 75 2.403 3.783 4.012 554 HD13 LEU 75 HD13 LEU 75 3.910 2.974 3.580 555 HD21 LEU 75 HD21 LEU 75 1.542 3.568 6.393 556 HD22 LEU 75 HD22 LEU 75 3.104 4.158 6.959 557 HD23 LEU 75 HD23 LEU 75 2.476 2.620 7.549 558 H ASP 76 HN ASP 76 3.399 -1.396 5.841 559 HA ASP 76 HA ASP 76 6.045 -0.824 6.606 560 HB2 ASP 76 HB2 ASP 76 4.483 -1.858 8.150 561 HB3 ASP 76 HB1 ASP 76 4.363 -3.279 7.121 562 H LEU 77 HN LEU 77 4.689 -3.015 4.255 563 HA LEU 77 HA LEU 77 6.941 -4.643 3.804 564 HB2 LEU 77 HB2 LEU 77 4.837 -3.748 1.834 565 HB3 LEU 77 HB1 LEU 77 5.980 -5.030 1.531 566 HG LEU 77 HG LEU 77 3.759 -5.033 3.558 567 HD11 LEU 77 HD11 LEU 77 4.208 -6.592 1.021 568 HD12 LEU 77 HD12 LEU 77 3.035 -5.295 1.262 569 HD13 LEU 77 HD13 LEU 77 2.863 -6.814 2.141 570 HD21 LEU 77 HD21 LEU 77 4.406 -7.353 4.008 571 HD22 LEU 77 HD22 LEU 77 5.714 -6.242 4.421 572 HD23 LEU 77 HD23 LEU 77 5.791 -7.181 2.929 573 H ILE 78 HN ILE 78 5.883 -1.678 2.240 574 HA ILE 78 HA ILE 78 8.088 -1.467 0.453 575 HB ILE 78 HB ILE 78 6.182 0.680 1.446 576 HG12 ILE 78 HG12 ILE 78 5.006 -1.182 0.332 577 HG13 ILE 78 HG11 ILE 78 4.920 0.293 -0.618 578 HG21 ILE 78 HG21 ILE 78 7.995 0.694 -0.968 579 HG22 ILE 78 HG22 ILE 78 8.182 1.673 0.487 580 HG23 ILE 78 HG23 ILE 78 6.799 1.932 -0.579 581 HD11 ILE 78 HD11 ILE 78 5.290 -1.641 -2.038 582 HD12 ILE 78 HD12 ILE 78 6.749 -2.046 -1.133 583 HD13 ILE 78 HD13 ILE 78 6.691 -0.568 -2.089 584 H ASN 79 HN ASN 79 7.198 0.514 3.269 585 HA ASN 79 HA ASN 79 9.598 1.948 3.380 586 HB2 ASN 79 HB2 ASN 79 7.581 1.477 5.584 587 HB3 ASN 79 HB1 ASN 79 8.870 2.668 5.632 588 HD21 ASN 79 HD21 ASN 79 7.530 4.442 5.787 589 HD22 ASN 79 HD22 ASN 79 6.406 4.879 4.564 590 H GLY 80 HN GLY 80 8.668 -1.085 4.901 591 HA2 GLY 80 HA2 GLY 80 10.766 -1.187 6.777 592 HA3 GLY 80 HA1 GLY 80 9.830 -2.548 6.184 593 H ALA 81 HN ALA 81 10.483 -2.288 3.452 594 HA ALA 81 HA ALA 81 13.033 -3.569 3.451 595 HB1 ALA 81 HB1 ALA 81 11.264 -4.232 1.884 596 HB2 ALA 81 HB2 ALA 81 12.724 -3.736 1.025 597 HB3 ALA 81 HB3 ALA 81 11.345 -2.643 1.121 598 H LEU 82 HN LEU 82 11.806 -0.408 2.606 599 HA LEU 82 HA LEU 82 14.206 0.629 1.507 600 HB2 LEU 82 HB2 LEU 82 11.892 2.060 2.816 601 HB3 LEU 82 HB1 LEU 82 13.198 2.861 1.977 602 HG LEU 82 HG LEU 82 11.232 0.955 0.707 603 HD11 LEU 82 HD11 LEU 82 11.439 3.960 0.570 604 HD12 LEU 82 HD12 LEU 82 10.176 3.039 1.388 605 HD13 LEU 82 HD13 LEU 82 10.329 2.957 -0.367 606 HD21 LEU 82 HD21 LEU 82 13.373 2.707 -0.502 607 HD22 LEU 82 HD22 LEU 82 12.204 1.739 -1.401 608 HD23 LEU 82 HD23 LEU 82 13.416 0.948 -0.397 609 H ALA 83 HN ALA 83 12.995 0.339 4.766 610 HA ALA 83 HA ALA 83 14.786 2.073 6.062 611 HB1 ALA 83 HB1 ALA 83 13.467 -0.400 7.180 612 HB2 ALA 83 HB2 ALA 83 12.746 1.209 7.114 613 HB3 ALA 83 HB3 ALA 83 14.169 0.923 8.114 614 H GLU 84 HN GLU 84 15.323 -0.949 4.617 615 HA GLU 84 HA GLU 84 17.641 -1.624 6.206 616 HB2 GLU 84 HB2 GLU 84 16.569 -2.854 3.659 617 HB3 GLU 84 HB1 GLU 84 17.863 -3.511 4.651 618 HG2 GLU 84 HG2 GLU 84 15.005 -3.141 5.516 619 HG3 GLU 84 HG1 GLU 84 15.753 -4.661 5.028 620 H ALA 85 HN ALA 85 17.074 0.644 3.882 621 HA ALA 85 HA ALA 85 19.610 0.287 2.503 622 HB1 ALA 85 HB1 ALA 85 18.842 2.062 1.021 623 HB2 ALA 85 HB2 ALA 85 17.403 2.287 2.015 624 HB3 ALA 85 HB3 ALA 85 17.640 0.778 1.133 625 H ALA 86 HN ALA 86 21.214 0.960 3.771 626 HA ALA 86 HA ALA 86 21.269 3.765 4.421 627 HB1 ALA 86 HB1 ALA 86 20.389 2.734 6.463 628 HB2 ALA 86 HB2 ALA 86 22.032 3.325 6.721 629 HB3 ALA 86 HB3 ALA 86 21.740 1.601 6.483 630 H282 PNS 87 H28A PNS 87 -6.504 -14.211 -4.352 631 H281 PNS 87 H28B PNS 87 -7.872 -13.484 -3.503 632 H303 PNS 87 H30A PNS 87 -9.442 -14.539 -5.002 633 H302 PNS 87 H30B PNS 87 -8.102 -15.316 -5.845 634 H301 PNS 87 H30C PNS 87 -9.286 -14.374 -6.751 635 H313 PNS 87 H31A PNS 87 -9.530 -12.117 -4.761 636 H312 PNS 87 H31B PNS 87 -9.337 -11.874 -6.497 637 H311 PNS 87 H31C PNS 87 -8.224 -11.099 -5.369 638 H32 PNS 87 H32A PNS 87 -6.194 -12.233 -6.609 639 H33 PNS 87 H33A PNS 87 -7.775 -13.334 -8.556 640 H36 PNS 87 H36A PNS 87 -5.657 -14.701 -5.383 641 H372 PNS 87 H37A PNS 87 -5.482 -16.950 -6.970 642 H371 PNS 87 H37B PNS 87 -4.003 -16.024 -7.268 643 H382 PNS 87 H38A PNS 87 -4.984 -16.906 -4.525 644 H381 PNS 87 H38B PNS 87 -3.911 -17.837 -5.523 645 H41 PNS 87 H41A PNS 87 -2.985 -17.336 -3.181 646 H422 PNS 87 H42A PNS 87 -0.496 -16.368 -3.419 647 H421 PNS 87 H42B PNS 87 -1.427 -14.972 -2.822 648 H431 PNS 87 H43A PNS 87 -2.135 -16.226 -0.928 649 H432 PNS 87 H43B PNS 87 -0.379 -16.457 -1.030 650 H44 PNS 87 H1 PNS 87 -1.607 -18.846 -0.266 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 18.353 7.380 4.679 2 H2 MET 1 HT2 MET 1 19.996 7.085 4.729 3 H3 MET 1 HT3 MET 1 18.939 5.874 4.186 4 HA MET 1 HA MET 1 19.491 8.470 2.881 5 HB2 MET 1 HB2 MET 1 20.156 5.646 2.010 6 HB3 MET 1 HB1 MET 1 20.401 7.084 1.032 7 HG2 MET 1 HG2 MET 1 22.014 7.922 2.632 8 HG3 MET 1 HG1 MET 1 21.728 6.534 3.675 9 HE1 MET 1 HE1 MET 1 23.177 7.790 0.273 10 HE2 MET 1 HE2 MET 1 21.962 6.619 -0.241 11 HE3 MET 1 HE3 MET 1 23.675 6.283 -0.494 12 H ALA 2 HN ALA 2 17.551 5.490 2.923 13 HA ALA 2 HA ALA 2 16.105 6.212 0.574 14 HB1 ALA 2 HB1 ALA 2 14.692 4.300 1.132 15 HB2 ALA 2 HB2 ALA 2 15.471 4.180 2.713 16 HB3 ALA 2 HB3 ALA 2 16.401 3.878 1.245 17 H THR 3 HN THR 3 14.115 7.126 0.411 18 HA THR 3 HA THR 3 13.248 8.654 2.706 19 HB THR 3 HB THR 3 13.432 9.896 0.672 20 HG1 THR 3 HG1 THR 3 10.638 9.543 0.802 21 HG21 THR 3 HG21 THR 3 11.565 7.909 -0.639 22 HG22 THR 3 HG22 THR 3 13.286 8.095 -0.971 23 HG23 THR 3 HG23 THR 3 12.165 9.394 -1.382 24 H LEU 4 HN LEU 4 11.942 7.667 4.086 25 HA LEU 4 HA LEU 4 10.341 5.394 3.312 26 HB2 LEU 4 HB2 LEU 4 10.218 6.876 5.941 27 HB3 LEU 4 HB1 LEU 4 9.623 5.284 5.560 28 HG LEU 4 HG LEU 4 12.551 6.014 5.632 29 HD11 LEU 4 HD11 LEU 4 12.606 4.719 7.700 30 HD12 LEU 4 HD12 LEU 4 10.858 4.521 7.626 31 HD13 LEU 4 HD13 LEU 4 11.555 6.125 7.847 32 HD21 LEU 4 HD21 LEU 4 11.161 3.347 5.411 33 HD22 LEU 4 HD22 LEU 4 12.903 3.603 5.537 34 HD23 LEU 4 HD23 LEU 4 12.027 4.171 4.116 35 H LEU 5 HN LEU 5 8.415 5.528 2.464 36 HA LEU 5 HA LEU 5 7.019 7.969 2.322 37 HB2 LEU 5 HB2 LEU 5 5.146 6.548 1.301 38 HB3 LEU 5 HB1 LEU 5 6.650 6.727 0.436 39 HG LEU 5 HG LEU 5 7.292 4.429 1.082 40 HD11 LEU 5 HD11 LEU 5 5.684 2.924 2.102 41 HD12 LEU 5 HD12 LEU 5 4.563 4.263 2.337 42 HD13 LEU 5 HD13 LEU 5 6.100 4.238 3.202 43 HD21 LEU 5 HD21 LEU 5 6.134 4.802 -0.987 44 HD22 LEU 5 HD22 LEU 5 4.579 4.684 -0.166 45 HD23 LEU 5 HD23 LEU 5 5.623 3.269 -0.276 46 H THR 6 HN THR 6 4.975 8.537 3.042 47 HA THR 6 HA THR 6 4.401 7.440 5.678 48 HB THR 6 HB THR 6 3.205 9.641 5.974 49 HG1 THR 6 HG1 THR 6 3.897 11.272 4.433 50 HG21 THR 6 HG21 THR 6 5.449 9.236 6.877 51 HG22 THR 6 HG22 THR 6 5.286 10.901 6.322 52 HG23 THR 6 HG23 THR 6 6.162 9.724 5.342 53 H THR 7 HN THR 7 1.912 8.357 6.137 54 HA THR 7 HA THR 7 0.212 6.519 4.845 55 HB THR 7 HB THR 7 -0.516 8.970 6.477 56 HG1 THR 7 HG1 THR 7 -0.663 7.376 8.173 57 HG21 THR 7 HG21 THR 7 -2.427 7.978 5.289 58 HG22 THR 7 HG22 THR 7 -2.560 7.713 7.027 59 HG23 THR 7 HG23 THR 7 -2.035 6.400 5.973 60 H ASP 8 HN ASP 8 0.858 9.956 4.517 61 HA ASP 8 HA ASP 8 -1.184 10.769 2.784 62 HB2 ASP 8 HB2 ASP 8 1.695 11.699 2.830 63 HB3 ASP 8 HB1 ASP 8 0.432 12.464 1.881 64 H ASP 9 HN ASP 9 1.985 9.491 2.046 65 HA ASP 9 HA ASP 9 1.674 9.578 -0.761 66 HB2 ASP 9 HB2 ASP 9 3.856 9.487 0.466 67 HB3 ASP 9 HB1 ASP 9 3.536 7.784 0.783 68 H LEU 10 HN LEU 10 1.437 6.970 1.600 69 HA LEU 10 HA LEU 10 0.823 4.840 -0.069 70 HB2 LEU 10 HB2 LEU 10 1.313 4.635 2.330 71 HB3 LEU 10 HB1 LEU 10 -0.222 5.389 2.709 72 HG LEU 10 HG LEU 10 -1.370 3.461 1.617 73 HD11 LEU 10 HD11 LEU 10 -0.104 1.419 1.224 74 HD12 LEU 10 HD12 LEU 10 1.394 2.281 1.567 75 HD13 LEU 10 HD13 LEU 10 0.420 2.729 0.167 76 HD21 LEU 10 HD21 LEU 10 -1.110 3.576 4.033 77 HD22 LEU 10 HD22 LEU 10 0.470 2.796 3.914 78 HD23 LEU 10 HD23 LEU 10 -0.991 1.910 3.471 79 H ARG 11 HN ARG 11 -1.330 7.182 1.452 80 HA ARG 11 HA ARG 11 -3.798 6.187 0.609 81 HB2 ARG 11 HB2 ARG 11 -3.573 7.905 2.313 82 HB3 ARG 11 HB1 ARG 11 -2.931 9.023 1.130 83 HG2 ARG 11 HG2 ARG 11 -5.070 9.059 -0.026 84 HG3 ARG 11 HG1 ARG 11 -5.727 7.906 1.144 85 HD2 ARG 11 HD2 ARG 11 -6.369 10.193 1.708 86 HD3 ARG 11 HD1 ARG 11 -5.332 9.490 2.950 87 HE ARG 11 HE ARG 11 -4.491 11.433 0.913 88 HH11 ARG 11 HH11 ARG 11 -4.041 9.953 4.102 89 HH12 ARG 11 HH12 ARG 11 -2.953 11.135 4.682 90 HH21 ARG 11 HH21 ARG 11 -2.948 13.043 1.680 91 HH22 ARG 11 HH22 ARG 11 -2.234 12.915 3.225 92 H ARG 12 HN ARG 12 -1.809 8.747 -0.818 93 HA ARG 12 HA ARG 12 -3.455 9.212 -3.037 94 HB2 ARG 12 HB2 ARG 12 -0.471 9.623 -2.812 95 HB3 ARG 12 HB1 ARG 12 -1.517 10.337 -4.030 96 HG2 ARG 12 HG2 ARG 12 -2.664 11.634 -2.374 97 HG3 ARG 12 HG1 ARG 12 -1.788 10.820 -1.077 98 HD2 ARG 12 HD2 ARG 12 0.330 11.711 -2.098 99 HD3 ARG 12 HD1 ARG 12 -0.686 12.691 -3.157 100 HE ARG 12 HE ARG 12 -1.672 13.486 -0.920 101 HH11 ARG 12 HH11 ARG 12 1.797 12.918 -1.572 102 HH12 ARG 12 HH12 ARG 12 2.272 13.852 -0.223 103 HH21 ARG 12 HH21 ARG 12 -0.904 14.802 0.835 104 HH22 ARG 12 HH22 ARG 12 0.781 14.932 1.124 105 H ALA 13 HN ALA 13 -0.741 7.018 -2.559 106 HA ALA 13 HA ALA 13 -0.564 6.106 -5.218 107 HB1 ALA 13 HB1 ALA 13 0.274 4.702 -2.692 108 HB2 ALA 13 HB2 ALA 13 1.244 5.872 -3.591 109 HB3 ALA 13 HB3 ALA 13 0.817 4.327 -4.328 110 H LEU 14 HN LEU 14 -2.328 4.821 -2.415 111 HA LEU 14 HA LEU 14 -3.205 2.504 -3.807 112 HB2 LEU 14 HB2 LEU 14 -3.062 2.517 -1.472 113 HB3 LEU 14 HB1 LEU 14 -4.242 3.812 -1.286 114 HG LEU 14 HG LEU 14 -5.974 2.217 -2.195 115 HD11 LEU 14 HD11 LEU 14 -3.754 0.206 -1.901 116 HD12 LEU 14 HD12 LEU 14 -4.488 0.734 -3.414 117 HD13 LEU 14 HD13 LEU 14 -5.446 -0.162 -2.237 118 HD21 LEU 14 HD21 LEU 14 -6.160 0.888 -0.154 119 HD22 LEU 14 HD22 LEU 14 -5.724 2.560 0.205 120 HD23 LEU 14 HD23 LEU 14 -4.496 1.296 0.264 121 H VAL 15 HN VAL 15 -4.674 5.654 -3.221 122 HA VAL 15 HA VAL 15 -7.085 5.000 -4.585 123 HB VAL 15 HB VAL 15 -5.918 7.769 -4.036 124 HG11 VAL 15 HG11 VAL 15 -8.752 6.980 -4.695 125 HG12 VAL 15 HG12 VAL 15 -7.645 7.850 -5.756 126 HG13 VAL 15 HG13 VAL 15 -8.209 8.601 -4.263 127 HG21 VAL 15 HG21 VAL 15 -7.906 6.156 -2.430 128 HG22 VAL 15 HG22 VAL 15 -7.423 7.812 -2.089 129 HG23 VAL 15 HG23 VAL 15 -6.245 6.508 -1.970 130 H GLU 16 HN GLU 16 -3.967 5.724 -5.602 131 HA GLU 16 HA GLU 16 -4.535 6.640 -8.265 132 HB2 GLU 16 HB2 GLU 16 -2.457 7.177 -6.967 133 HB3 GLU 16 HB1 GLU 16 -2.000 5.492 -7.093 134 HG2 GLU 16 HG2 GLU 16 -1.924 5.744 -9.543 135 HG3 GLU 16 HG1 GLU 16 -2.282 7.462 -9.336 136 H SER 17 HN SER 17 -3.894 3.565 -6.625 137 HA SER 17 HA SER 17 -3.583 1.949 -8.903 138 HB2 SER 17 HB2 SER 17 -4.714 1.204 -6.192 139 HB3 SER 17 HB1 SER 17 -4.115 0.076 -7.401 140 HG SER 17 HG SER 17 -2.698 0.699 -5.639 141 H ALA 18 HN ALA 18 -6.370 2.993 -7.080 142 HA ALA 18 HA ALA 18 -8.298 1.603 -8.663 143 HB1 ALA 18 HB1 ALA 18 -8.797 2.374 -6.397 144 HB2 ALA 18 HB2 ALA 18 -9.918 3.082 -7.562 145 HB3 ALA 18 HB3 ALA 18 -8.593 4.047 -6.915 146 H GLY 19 HN GLY 19 -6.799 4.760 -8.683 147 HA2 GLY 19 HA2 GLY 19 -6.472 6.203 -10.457 148 HA3 GLY 19 HA1 GLY 19 -7.451 5.138 -11.462 149 H GLU 20 HN GLU 20 -8.788 5.945 -8.492 150 HA GLU 20 HA GLU 20 -10.911 7.393 -9.806 151 HB2 GLU 20 HB2 GLU 20 -10.553 6.842 -6.874 152 HB3 GLU 20 HB1 GLU 20 -12.023 7.397 -7.660 153 HG2 GLU 20 HG2 GLU 20 -12.173 5.298 -8.875 154 HG3 GLU 20 HG1 GLU 20 -10.692 4.742 -8.098 155 H THR 21 HN THR 21 -8.476 7.943 -7.668 156 HA THR 21 HA THR 21 -7.651 9.765 -6.501 157 HB THR 21 HB THR 21 -7.152 11.751 -8.038 158 HG1 THR 21 HG1 THR 21 -8.899 10.654 -9.571 159 HG21 THR 21 HG21 THR 21 -6.172 8.987 -8.760 160 HG22 THR 21 HG22 THR 21 -5.512 10.036 -7.505 161 HG23 THR 21 HG23 THR 21 -5.371 10.494 -9.202 162 H ASP 22 HN ASP 22 -9.523 9.860 -5.212 163 HA ASP 22 HA ASP 22 -10.733 12.505 -5.214 164 HB2 ASP 22 HB2 ASP 22 -12.340 11.089 -6.498 165 HB3 ASP 22 HB1 ASP 22 -12.447 10.005 -5.122 166 H GLY 23 HN GLY 23 -10.758 9.277 -3.693 167 HA2 GLY 23 HA2 GLY 23 -9.460 10.044 -1.389 168 HA3 GLY 23 HA1 GLY 23 -11.174 10.303 -1.093 169 H THR 24 HN THR 24 -12.263 8.215 -2.499 170 HA THR 24 HA THR 24 -12.926 6.099 -2.286 171 HB THR 24 HB THR 24 -10.005 5.402 -1.729 172 HG1 THR 24 HG1 THR 24 -11.058 5.314 -4.349 173 HG21 THR 24 HG21 THR 24 -12.213 3.839 -3.122 174 HG22 THR 24 HG22 THR 24 -11.614 3.505 -1.500 175 HG23 THR 24 HG23 THR 24 -10.555 3.286 -2.892 176 H ASP 25 HN ASP 25 -12.896 7.848 -0.003 177 HA ASP 25 HA ASP 25 -13.383 7.963 2.176 178 HB2 ASP 25 HB2 ASP 25 -15.043 6.165 1.517 179 HB3 ASP 25 HB1 ASP 25 -13.886 4.963 2.065 180 H LEU 26 HN LEU 26 -10.673 7.285 1.253 181 HA LEU 26 HA LEU 26 -9.490 6.022 3.639 182 HB2 LEU 26 HB2 LEU 26 -8.257 6.724 0.978 183 HB3 LEU 26 HB1 LEU 26 -7.478 5.792 2.229 184 HG LEU 26 HG LEU 26 -9.842 4.950 0.559 185 HD11 LEU 26 HD11 LEU 26 -7.748 4.938 -0.652 186 HD12 LEU 26 HD12 LEU 26 -8.309 3.297 -0.350 187 HD13 LEU 26 HD13 LEU 26 -6.998 3.969 0.613 188 HD21 LEU 26 HD21 LEU 26 -9.624 2.766 1.651 189 HD22 LEU 26 HD22 LEU 26 -10.034 4.028 2.811 190 HD23 LEU 26 HD23 LEU 26 -8.380 3.421 2.717 191 H SER 27 HN SER 27 -10.517 8.918 3.190 192 HA SER 27 HA SER 27 -8.071 10.439 3.100 193 HB2 SER 27 HB2 SER 27 -10.918 11.404 3.253 194 HB3 SER 27 HB1 SER 27 -9.501 12.378 2.861 195 HG SER 27 HG SER 27 -10.984 11.296 1.167 196 H GLY 28 HN GLY 28 -9.352 8.913 5.582 197 HA2 GLY 28 HA2 GLY 28 -8.361 10.930 7.482 198 HA3 GLY 28 HA1 GLY 28 -9.973 10.273 7.740 199 H ASP 29 HN ASP 29 -6.799 9.065 6.917 200 HA ASP 29 HA ASP 29 -5.525 7.305 7.507 201 HB2 ASP 29 HB2 ASP 29 -5.696 8.197 9.856 202 HB3 ASP 29 HB1 ASP 29 -7.094 7.158 10.109 203 H PHE 30 HN PHE 30 -5.466 5.160 7.170 204 HA PHE 30 HA PHE 30 -7.968 3.680 7.184 205 HB2 PHE 30 HB2 PHE 30 -7.792 3.074 4.814 206 HB3 PHE 30 HB1 PHE 30 -7.955 4.813 4.998 207 HD1 PHE 30 HD1 PHE 30 -5.743 6.182 4.934 208 HD2 PHE 30 HD2 PHE 30 -6.104 2.202 3.492 209 HE1 PHE 30 HE1 PHE 30 -3.739 6.501 3.567 210 HE2 PHE 30 HE2 PHE 30 -4.093 2.518 2.117 211 HZ PHE 30 HZ PHE 30 -2.909 4.670 2.155 212 H LEU 31 HN LEU 31 -5.202 3.641 8.435 213 HA LEU 31 HA LEU 31 -3.768 1.582 7.118 214 HB2 LEU 31 HB2 LEU 31 -3.355 3.206 9.510 215 HB3 LEU 31 HB1 LEU 31 -2.630 1.611 9.564 216 HG LEU 31 HG LEU 31 -1.291 2.063 7.624 217 HD11 LEU 31 HD11 LEU 31 -2.886 3.352 6.337 218 HD12 LEU 31 HD12 LEU 31 -1.321 4.157 6.448 219 HD13 LEU 31 HD13 LEU 31 -2.681 4.730 7.431 220 HD21 LEU 31 HD21 LEU 31 -0.422 2.846 9.725 221 HD22 LEU 31 HD22 LEU 31 -1.286 4.371 9.519 222 HD23 LEU 31 HD23 LEU 31 0.038 3.954 8.424 223 H ASP 32 HN ASP 32 -6.179 1.442 9.600 224 HA ASP 32 HA ASP 32 -5.669 -1.450 9.635 225 HB2 ASP 32 HB2 ASP 32 -6.689 -1.625 11.815 226 HB3 ASP 32 HB1 ASP 32 -5.453 -0.383 11.882 227 H LEU 33 HN LEU 33 -7.267 0.520 7.981 228 HA LEU 33 HA LEU 33 -9.915 -0.654 8.132 229 HB2 LEU 33 HB2 LEU 33 -9.577 1.801 7.746 230 HB3 LEU 33 HB1 LEU 33 -8.727 1.422 6.268 231 HG LEU 33 HG LEU 33 -10.822 0.500 5.327 232 HD11 LEU 33 HD11 LEU 33 -11.897 -0.174 7.410 233 HD12 LEU 33 HD12 LEU 33 -12.932 0.908 6.481 234 HD13 LEU 33 HD13 LEU 33 -12.053 1.518 7.883 235 HD21 LEU 33 HD21 LEU 33 -11.947 2.652 5.043 236 HD22 LEU 33 HD22 LEU 33 -10.199 2.818 4.916 237 HD23 LEU 33 HD23 LEU 33 -11.026 3.313 6.394 238 H ARG 34 HN ARG 34 -9.920 -2.633 7.326 239 HA ARG 34 HA ARG 34 -7.927 -3.788 5.746 240 HB2 ARG 34 HB2 ARG 34 -10.738 -4.689 6.260 241 HB3 ARG 34 HB1 ARG 34 -9.555 -5.640 5.382 242 HG2 ARG 34 HG2 ARG 34 -8.123 -5.623 7.379 243 HG3 ARG 34 HG1 ARG 34 -9.399 -4.756 8.243 244 HD2 ARG 34 HD2 ARG 34 -9.739 -7.433 6.907 245 HD3 ARG 34 HD1 ARG 34 -9.431 -7.205 8.627 246 HE ARG 34 HE ARG 34 -11.561 -5.805 8.504 247 HH11 ARG 34 HH11 ARG 34 -11.035 -8.694 6.458 248 HH12 ARG 34 HH12 ARG 34 -12.654 -9.207 6.581 249 HH21 ARG 34 HH21 ARG 34 -13.808 -6.475 8.514 250 HH22 ARG 34 HH22 ARG 34 -14.259 -7.924 7.764 251 H PHE 35 HN PHE 35 -7.895 -4.568 3.703 252 HA PHE 35 HA PHE 35 -8.956 -2.845 1.715 253 HB2 PHE 35 HB2 PHE 35 -7.517 -5.483 1.466 254 HB3 PHE 35 HB1 PHE 35 -7.870 -4.388 0.133 255 HD1 PHE 35 HD2 PHE 35 -6.951 -1.959 0.411 256 HD2 PHE 35 HD1 PHE 35 -5.502 -5.350 2.531 257 HE1 PHE 35 HE2 PHE 35 -4.813 -0.808 0.783 258 HE2 PHE 35 HE1 PHE 35 -3.364 -4.203 2.913 259 HZ PHE 35 HZ PHE 35 -3.014 -1.934 2.034 260 H GLU 36 HN GLU 36 -9.645 -6.072 2.881 261 HA GLU 36 HA GLU 36 -11.621 -6.801 0.990 262 HB2 GLU 36 HB2 GLU 36 -10.518 -8.347 2.616 263 HB3 GLU 36 HB1 GLU 36 -11.408 -7.571 3.911 264 HG2 GLU 36 HG2 GLU 36 -12.459 -9.650 3.365 265 HG3 GLU 36 HG1 GLU 36 -13.515 -8.332 2.867 266 H ASP 37 HN ASP 37 -11.594 -4.840 3.811 267 HA ASP 37 HA ASP 37 -14.453 -4.674 4.133 268 HB2 ASP 37 HB2 ASP 37 -12.908 -4.706 6.052 269 HB3 ASP 37 HB1 ASP 37 -12.191 -3.204 5.500 270 H ILE 38 HN ILE 38 -12.139 -3.133 2.189 271 HA ILE 38 HA ILE 38 -14.033 -0.958 1.609 272 HB ILE 38 HB ILE 38 -12.178 0.401 0.713 273 HG12 ILE 38 HG12 ILE 38 -10.355 -1.745 1.842 274 HG13 ILE 38 HG11 ILE 38 -10.638 -1.449 0.134 275 HG21 ILE 38 HG21 ILE 38 -12.890 0.776 2.987 276 HG22 ILE 38 HG22 ILE 38 -11.147 1.023 2.856 277 HG23 ILE 38 HG23 ILE 38 -11.778 -0.462 3.568 278 HD11 ILE 38 HD11 ILE 38 -9.619 0.768 0.362 279 HD12 ILE 38 HD12 ILE 38 -8.516 -0.521 0.848 280 HD13 ILE 38 HD13 ILE 38 -9.333 0.453 2.075 281 H GLY 39 HN GLY 39 -13.648 -3.757 0.607 282 HA2 GLY 39 HA2 GLY 39 -14.056 -4.874 -1.345 283 HA3 GLY 39 HA1 GLY 39 -14.588 -3.334 -1.989 284 H TYR 40 HN TYR 40 -11.327 -4.258 -0.937 285 HA TYR 40 HA TYR 40 -10.416 -3.722 -3.668 286 HB2 TYR 40 HB2 TYR 40 -9.351 -2.966 -1.095 287 HB3 TYR 40 HB1 TYR 40 -8.208 -3.992 -1.981 288 HD1 TYR 40 HD1 TYR 40 -10.310 -0.953 -2.444 289 HD2 TYR 40 HD2 TYR 40 -6.847 -3.143 -3.548 290 HE1 TYR 40 HE1 TYR 40 -9.583 0.922 -3.853 291 HE2 TYR 40 HE2 TYR 40 -6.095 -1.302 -4.946 292 HH TYR 40 HH TYR 40 -7.179 0.561 -6.154 293 H ASP 41 HN ASP 41 -9.027 -5.123 -4.674 294 HA ASP 41 HA ASP 41 -9.239 -7.903 -3.776 295 HB2 ASP 41 HB2 ASP 41 -8.293 -6.752 -6.424 296 HB3 ASP 41 HB1 ASP 41 -8.516 -8.460 -6.066 297 H SER 42 HN SER 42 -7.334 -9.216 -3.523 298 HA SER 42 HA SER 42 -5.073 -7.834 -2.608 299 HB2 SER 42 HB2 SER 42 -5.316 -10.756 -3.349 300 HB3 SER 42 HB1 SER 42 -4.016 -10.043 -2.387 301 H LEU 43 HN LEU 43 -5.901 -8.940 -5.779 302 HA LEU 43 HA LEU 43 -3.291 -8.859 -6.897 303 HB2 LEU 43 HB2 LEU 43 -5.993 -8.505 -8.216 304 HB3 LEU 43 HB1 LEU 43 -4.496 -8.483 -9.110 305 HG LEU 43 HG LEU 43 -5.474 -10.602 -9.424 306 HD11 LEU 43 HD11 LEU 43 -3.248 -10.880 -7.440 307 HD12 LEU 43 HD12 LEU 43 -3.103 -10.675 -9.186 308 HD13 LEU 43 HD13 LEU 43 -3.821 -12.145 -8.528 309 HD21 LEU 43 HD21 LEU 43 -7.016 -10.651 -7.547 310 HD22 LEU 43 HD22 LEU 43 -5.673 -10.880 -6.430 311 HD23 LEU 43 HD23 LEU 43 -6.065 -12.136 -7.607 312 H ALA 44 HN ALA 44 -5.691 -6.453 -6.203 313 HA ALA 44 HA ALA 44 -4.460 -4.316 -7.672 314 HB1 ALA 44 HB1 ALA 44 -6.076 -2.909 -6.522 315 HB2 ALA 44 HB2 ALA 44 -6.486 -4.222 -5.424 316 HB3 ALA 44 HB3 ALA 44 -6.873 -4.352 -7.143 317 H LEU 45 HN LEU 45 -4.108 -5.735 -4.565 318 HA LEU 45 HA LEU 45 -2.764 -3.561 -3.326 319 HB2 LEU 45 HB2 LEU 45 -2.451 -6.493 -2.709 320 HB3 LEU 45 HB1 LEU 45 -2.061 -5.145 -1.664 321 HG LEU 45 HG LEU 45 -4.804 -6.006 -2.519 322 HD11 LEU 45 HD11 LEU 45 -5.111 -6.432 -0.133 323 HD12 LEU 45 HD12 LEU 45 -3.427 -5.989 0.152 324 HD13 LEU 45 HD13 LEU 45 -3.812 -7.415 -0.814 325 HD21 LEU 45 HD21 LEU 45 -5.596 -4.205 -1.069 326 HD22 LEU 45 HD22 LEU 45 -4.644 -3.591 -2.431 327 HD23 LEU 45 HD23 LEU 45 -3.923 -3.697 -0.826 328 H MET 46 HN MET 46 -1.848 -6.357 -5.153 329 HA MET 46 HA MET 46 0.949 -6.127 -5.049 330 HB2 MET 46 HB2 MET 46 -0.824 -7.178 -7.257 331 HB3 MET 46 HB1 MET 46 0.914 -7.447 -7.154 332 HG2 MET 46 HG2 MET 46 0.664 -8.740 -5.173 333 HG3 MET 46 HG1 MET 46 -1.042 -8.323 -5.052 334 HE1 MET 46 HE1 MET 46 -1.752 -10.875 -4.822 335 HE2 MET 46 HE2 MET 46 -0.049 -11.324 -4.863 336 HE3 MET 46 HE3 MET 46 -1.204 -12.146 -5.915 337 H GLU 47 HN GLU 47 -1.462 -4.857 -7.272 338 HA GLU 47 HA GLU 47 0.209 -3.418 -8.989 339 HB2 GLU 47 HB2 GLU 47 -2.625 -2.945 -8.130 340 HB3 GLU 47 HB1 GLU 47 -1.899 -2.080 -9.470 341 HG2 GLU 47 HG2 GLU 47 -1.520 -4.357 -10.522 342 HG3 GLU 47 HG1 GLU 47 -2.531 -5.009 -9.231 343 H THR 48 HN THR 48 -1.281 -2.514 -5.945 344 HA THR 48 HA THR 48 -0.568 0.197 -5.891 345 HB THR 48 HB THR 48 -1.064 -1.746 -3.617 346 HG1 THR 48 HG1 THR 48 -2.870 -1.587 -4.951 347 HG21 THR 48 HG21 THR 48 -1.164 1.287 -3.647 348 HG22 THR 48 HG22 THR 48 0.056 0.306 -2.826 349 HG23 THR 48 HG23 THR 48 -1.623 0.253 -2.294 350 H ALA 49 HN ALA 49 1.028 -2.614 -4.312 351 HA ALA 49 HA ALA 49 3.228 -1.142 -3.370 352 HB1 ALA 49 HB1 ALA 49 4.319 -3.298 -3.034 353 HB2 ALA 49 HB2 ALA 49 3.104 -4.085 -4.045 354 HB3 ALA 49 HB3 ALA 49 2.638 -3.359 -2.505 355 H ALA 50 HN ALA 50 2.625 -2.754 -6.427 356 HA ALA 50 HA ALA 50 5.187 -2.689 -7.502 357 HB1 ALA 50 HB1 ALA 50 4.133 -2.982 -9.659 358 HB2 ALA 50 HB2 ALA 50 2.577 -2.488 -8.989 359 HB3 ALA 50 HB3 ALA 50 3.339 -3.984 -8.444 360 H ARG 51 HN ARG 51 2.686 -0.161 -7.524 361 HA ARG 51 HA ARG 51 4.177 1.504 -9.305 362 HB2 ARG 51 HB2 ARG 51 2.598 3.254 -8.878 363 HB3 ARG 51 HB1 ARG 51 1.698 1.753 -8.940 364 HG2 ARG 51 HG2 ARG 51 1.588 1.742 -6.474 365 HG3 ARG 51 HG1 ARG 51 2.477 3.265 -6.446 366 HD2 ARG 51 HD2 ARG 51 0.122 3.728 -6.197 367 HD3 ARG 51 HD1 ARG 51 0.652 4.298 -7.779 368 HE ARG 51 HE ARG 51 -1.024 1.987 -7.186 369 HH11 ARG 51 HH11 ARG 51 0.064 4.435 -9.522 370 HH12 ARG 51 HH12 ARG 51 -0.618 3.661 -10.881 371 HH21 ARG 51 HH21 ARG 51 -1.983 0.930 -9.106 372 HH22 ARG 51 HH22 ARG 51 -1.846 1.665 -10.637 373 H LEU 52 HN LEU 52 4.294 0.875 -5.979 374 HA LEU 52 HA LEU 52 5.790 3.239 -5.339 375 HB2 LEU 52 HB2 LEU 52 5.136 0.804 -3.697 376 HB3 LEU 52 HB1 LEU 52 5.954 2.242 -3.108 377 HG LEU 52 HG LEU 52 3.140 2.184 -4.210 378 HD11 LEU 52 HD11 LEU 52 4.100 2.379 -1.360 379 HD12 LEU 52 HD12 LEU 52 3.272 1.004 -2.093 380 HD13 LEU 52 HD13 LEU 52 2.429 2.543 -1.904 381 HD21 LEU 52 HD21 LEU 52 4.694 4.383 -2.847 382 HD22 LEU 52 HD22 LEU 52 2.999 4.467 -3.325 383 HD23 LEU 52 HD23 LEU 52 4.256 4.323 -4.555 384 H GLU 53 HN GLU 53 6.417 -0.044 -6.272 385 HA GLU 53 HA GLU 53 8.973 -0.528 -5.320 386 HB2 GLU 53 HB2 GLU 53 7.821 -1.249 -8.009 387 HB3 GLU 53 HB1 GLU 53 9.362 -1.829 -7.425 388 HG2 GLU 53 HG2 GLU 53 8.170 -2.952 -5.575 389 HG3 GLU 53 HG1 GLU 53 6.644 -2.435 -6.315 390 H SER 54 HN SER 54 8.178 0.781 -8.516 391 HA SER 54 HA SER 54 10.919 1.353 -9.014 392 HB2 SER 54 HB2 SER 54 8.462 2.082 -10.614 393 HB3 SER 54 HB1 SER 54 10.132 2.136 -11.194 394 HG SER 54 HG SER 54 9.993 -0.215 -10.280 395 H ARG 55 HN ARG 55 8.295 3.081 -7.714 396 HA ARG 55 HA ARG 55 9.246 5.702 -8.206 397 HB2 ARG 55 HB2 ARG 55 6.901 5.164 -7.597 398 HB3 ARG 55 HB1 ARG 55 7.442 4.727 -5.984 399 HG2 ARG 55 HG2 ARG 55 8.196 7.035 -5.627 400 HG3 ARG 55 HG1 ARG 55 7.619 7.459 -7.238 401 HD2 ARG 55 HD2 ARG 55 5.939 6.433 -4.956 402 HD3 ARG 55 HD1 ARG 55 5.998 8.096 -5.535 403 HE ARG 55 HE ARG 55 5.265 6.183 -7.556 404 HH11 ARG 55 HH11 ARG 55 4.050 8.381 -5.051 405 HH12 ARG 55 HH12 ARG 55 2.431 8.316 -5.610 406 HH21 ARG 55 HH21 ARG 55 3.049 6.138 -8.319 407 HH22 ARG 55 HH22 ARG 55 1.854 7.025 -7.539 408 H TYR 56 HN TYR 56 9.779 3.349 -5.609 409 HA TYR 56 HA TYR 56 11.579 5.281 -4.351 410 HB2 TYR 56 HB2 TYR 56 10.074 2.958 -3.149 411 HB3 TYR 56 HB1 TYR 56 11.351 3.822 -2.291 412 HD1 TYR 56 HD2 TYR 56 7.983 4.110 -3.731 413 HD2 TYR 56 HD1 TYR 56 10.980 6.037 -1.419 414 HE1 TYR 56 HE2 TYR 56 6.330 5.750 -2.971 415 HE2 TYR 56 HE1 TYR 56 9.330 7.683 -0.652 416 HH TYR 56 HH TYR 56 7.258 8.577 -1.218 417 H GLY 57 HN GLY 57 11.842 2.882 -6.444 418 HA2 GLY 57 HA2 GLY 57 13.780 1.957 -7.300 419 HA3 GLY 57 HA1 GLY 57 14.664 2.655 -5.957 420 H VAL 58 HN VAL 58 11.931 0.649 -5.348 421 HA VAL 58 HA VAL 58 13.748 -1.463 -4.459 422 HB VAL 58 HB VAL 58 12.117 -2.071 -2.678 423 HG11 VAL 58 HG11 VAL 58 13.158 0.748 -2.532 424 HG12 VAL 58 HG12 VAL 58 14.049 -0.717 -2.130 425 HG13 VAL 58 HG13 VAL 58 12.663 -0.231 -1.152 426 HG21 VAL 58 HG21 VAL 58 10.751 0.527 -3.431 427 HG22 VAL 58 HG22 VAL 58 10.359 -0.462 -2.024 428 HG23 VAL 58 HG23 VAL 58 10.085 -1.091 -3.644 429 H SER 59 HN SER 59 12.419 -3.588 -4.083 430 HA SER 59 HA SER 59 10.316 -3.849 -6.044 431 HB2 SER 59 HB2 SER 59 12.454 -4.463 -7.209 432 HB3 SER 59 HB1 SER 59 12.700 -5.727 -6.006 433 HG SER 59 HG SER 59 10.315 -5.532 -7.465 434 H ILE 60 HN ILE 60 8.762 -5.177 -5.393 435 HA ILE 60 HA ILE 60 9.229 -6.920 -3.103 436 HB ILE 60 HB ILE 60 7.000 -4.866 -3.304 437 HG12 ILE 60 HG12 ILE 60 9.154 -5.328 -1.224 438 HG13 ILE 60 HG11 ILE 60 9.104 -4.017 -2.391 439 HG21 ILE 60 HG21 ILE 60 6.076 -5.808 -1.230 440 HG22 ILE 60 HG22 ILE 60 7.258 -7.112 -1.302 441 HG23 ILE 60 HG23 ILE 60 6.026 -6.970 -2.557 442 HD11 ILE 60 HD11 ILE 60 7.097 -3.148 -1.316 443 HD12 ILE 60 HD12 ILE 60 8.443 -3.273 -0.184 444 HD13 ILE 60 HD13 ILE 60 7.151 -4.472 -0.154 445 HA PRO 61 HA PRO 61 7.361 -9.752 -5.965 446 HB2 PRO 61 HB2 PRO 61 7.078 -11.344 -3.468 447 HB3 PRO 61 HB1 PRO 61 7.808 -11.794 -5.015 448 HG2 PRO 61 HG2 PRO 61 9.361 -11.248 -2.959 449 HG3 PRO 61 HG1 PRO 61 9.782 -10.634 -4.571 450 HD2 PRO 61 HD2 PRO 61 8.508 -9.194 -2.274 451 HD3 PRO 61 HD1 PRO 61 9.804 -8.653 -3.362 452 H ASP 62 HN ASP 62 5.381 -10.687 -6.409 453 HA ASP 62 HA ASP 62 3.130 -9.160 -5.841 454 HB2 ASP 62 HB2 ASP 62 3.283 -11.947 -6.979 455 HB3 ASP 62 HB1 ASP 62 1.825 -10.968 -6.955 456 H ASP 63 HN ASP 63 3.996 -12.357 -4.571 457 HA ASP 63 HA ASP 63 1.527 -12.728 -3.209 458 HB2 ASP 63 HB2 ASP 63 4.178 -14.114 -2.774 459 HB3 ASP 63 HB1 ASP 63 2.676 -14.583 -1.992 460 H VAL 64 HN VAL 64 4.234 -10.910 -2.467 461 HA VAL 64 HA VAL 64 3.910 -10.905 0.406 462 HB VAL 64 HB VAL 64 5.372 -8.982 -1.411 463 HG11 VAL 64 HG11 VAL 64 4.948 -8.041 0.799 464 HG12 VAL 64 HG12 VAL 64 6.667 -8.393 0.615 465 HG13 VAL 64 HG13 VAL 64 5.640 -9.469 1.565 466 HG21 VAL 64 HG21 VAL 64 6.410 -11.401 0.058 467 HG22 VAL 64 HG22 VAL 64 7.403 -10.242 -0.828 468 HG23 VAL 64 HG23 VAL 64 6.223 -11.233 -1.687 469 H ALA 65 HN ALA 65 3.347 -8.655 -2.257 470 HA ALA 65 HA ALA 65 2.070 -6.609 -0.794 471 HB1 ALA 65 HB1 ALA 65 1.746 -7.310 -3.704 472 HB2 ALA 65 HB2 ALA 65 3.034 -6.310 -3.028 473 HB3 ALA 65 HB3 ALA 65 1.358 -5.769 -2.941 474 H GLY 66 HN GLY 66 0.811 -9.549 -2.193 475 HA2 GLY 66 HA2 GLY 66 -1.928 -8.697 -1.674 476 HA3 GLY 66 HA1 GLY 66 -1.437 -10.213 -2.412 477 H ARG 67 HN ARG 67 0.373 -9.669 0.366 478 HA ARG 67 HA ARG 67 -1.176 -11.717 1.794 479 HB2 ARG 67 HB2 ARG 67 1.260 -12.025 1.261 480 HB3 ARG 67 HB1 ARG 67 1.614 -10.668 2.307 481 HG2 ARG 67 HG2 ARG 67 0.656 -11.950 4.201 482 HG3 ARG 67 HG1 ARG 67 0.452 -13.324 3.108 483 HD2 ARG 67 HD2 ARG 67 2.861 -13.302 2.653 484 HD3 ARG 67 HD1 ARG 67 3.056 -11.955 3.772 485 HE ARG 67 HE ARG 67 1.966 -14.528 4.638 486 HH11 ARG 67 HH11 ARG 67 4.430 -11.962 4.952 487 HH12 ARG 67 HH12 ARG 67 5.119 -12.644 6.364 488 HH21 ARG 67 HH21 ARG 67 2.955 -15.402 6.615 489 HH22 ARG 67 HH22 ARG 67 4.293 -14.585 7.298 490 H VAL 68 HN VAL 68 -1.105 -8.477 1.716 491 HA VAL 68 HA VAL 68 -1.059 -8.101 4.598 492 HB VAL 68 HB VAL 68 -1.118 -5.653 4.127 493 HG11 VAL 68 HG11 VAL 68 0.976 -6.821 4.489 494 HG12 VAL 68 HG12 VAL 68 1.180 -5.532 3.304 495 HG13 VAL 68 HG13 VAL 68 1.075 -7.209 2.772 496 HG21 VAL 68 HG21 VAL 68 -2.229 -5.711 1.942 497 HG22 VAL 68 HG22 VAL 68 -0.824 -6.524 1.250 498 HG23 VAL 68 HG23 VAL 68 -0.681 -4.871 1.850 499 H ASP 69 HN ASP 69 -2.743 -8.119 5.736 500 HA ASP 69 HA ASP 69 -5.400 -8.047 4.621 501 HB2 ASP 69 HB2 ASP 69 -4.905 -9.506 6.524 502 HB3 ASP 69 HB1 ASP 69 -4.456 -8.112 7.494 503 H THR 70 HN THR 70 -3.407 -5.876 6.595 504 HA THR 70 HA THR 70 -5.385 -3.795 6.107 505 HB THR 70 HB THR 70 -4.505 -2.755 8.246 506 HG1 THR 70 HG1 THR 70 -3.538 -4.372 9.666 507 HG21 THR 70 HG21 THR 70 -6.642 -3.945 8.204 508 HG22 THR 70 HG22 THR 70 -5.801 -4.252 9.726 509 HG23 THR 70 HG23 THR 70 -5.802 -5.477 8.452 510 HA PRO 71 HA PRO 71 -2.396 -1.463 3.841 511 HB2 PRO 71 HB2 PRO 71 -3.487 0.900 5.272 512 HB3 PRO 71 HB1 PRO 71 -3.338 0.601 3.534 513 HG2 PRO 71 HG2 PRO 71 -5.705 0.422 4.679 514 HG3 PRO 71 HG1 PRO 71 -5.208 -0.790 3.481 515 HD2 PRO 71 HD2 PRO 71 -5.240 -0.985 6.470 516 HD3 PRO 71 HD1 PRO 71 -5.780 -2.169 5.258 517 H ARG 72 HN ARG 72 -2.551 -1.107 7.296 518 HA ARG 72 HA ARG 72 -0.328 0.539 7.688 519 HB2 ARG 72 HB2 ARG 72 -1.961 0.010 9.459 520 HB3 ARG 72 HB1 ARG 72 -1.428 -1.658 9.473 521 HG2 ARG 72 HG2 ARG 72 0.681 -1.041 10.426 522 HG3 ARG 72 HG1 ARG 72 0.325 0.676 10.220 523 HD2 ARG 72 HD2 ARG 72 -1.308 -1.200 11.942 524 HD3 ARG 72 HD1 ARG 72 -0.017 -0.169 12.560 525 HE ARG 72 HE ARG 72 -1.438 1.690 11.506 526 HH11 ARG 72 HH11 ARG 72 -2.788 -1.130 13.248 527 HH12 ARG 72 HH12 ARG 72 -4.224 -0.330 13.699 528 HH21 ARG 72 HH21 ARG 72 -3.410 2.781 12.160 529 HH22 ARG 72 HH22 ARG 72 -4.586 1.965 13.064 530 H GLU 73 HN GLU 73 -0.646 -2.900 7.060 531 HA GLU 73 HA GLU 73 2.144 -3.445 7.480 532 HB2 GLU 73 HB2 GLU 73 -0.050 -5.142 6.289 533 HB3 GLU 73 HB1 GLU 73 1.589 -5.698 6.587 534 HG2 GLU 73 HG2 GLU 73 -0.417 -4.805 8.642 535 HG3 GLU 73 HG1 GLU 73 0.131 -6.454 8.341 536 H LEU 74 HN LEU 74 0.041 -2.735 4.770 537 HA LEU 74 HA LEU 74 1.878 -3.447 2.709 538 HB2 LEU 74 HB2 LEU 74 -0.638 -3.019 2.456 539 HB3 LEU 74 HB1 LEU 74 -0.283 -1.315 2.549 540 HG LEU 74 HG LEU 74 -0.752 -2.167 0.243 541 HD11 LEU 74 HD11 LEU 74 1.080 -1.037 -0.910 542 HD12 LEU 74 HD12 LEU 74 2.007 -1.016 0.590 543 HD13 LEU 74 HD13 LEU 74 0.502 -0.108 0.471 544 HD21 LEU 74 HD21 LEU 74 1.869 -3.612 0.565 545 HD22 LEU 74 HD22 LEU 74 0.969 -3.438 -0.941 546 HD23 LEU 74 HD23 LEU 74 0.273 -4.347 0.401 547 H LEU 75 HN LEU 75 1.246 -0.496 4.486 548 HA LEU 75 HA LEU 75 3.084 1.282 3.333 549 HB2 LEU 75 HB2 LEU 75 1.360 1.848 5.027 550 HB3 LEU 75 HB1 LEU 75 2.262 0.958 6.229 551 HG LEU 75 HG LEU 75 4.136 2.627 5.919 552 HD11 LEU 75 HD11 LEU 75 3.542 3.428 3.727 553 HD12 LEU 75 HD12 LEU 75 3.597 4.747 4.893 554 HD13 LEU 75 HD13 LEU 75 2.040 4.106 4.358 555 HD21 LEU 75 HD21 LEU 75 1.462 3.687 6.824 556 HD22 LEU 75 HD22 LEU 75 3.037 4.359 7.245 557 HD23 LEU 75 HD23 LEU 75 2.589 2.743 7.799 558 H ASP 76 HN ASP 76 3.362 -0.987 5.990 559 HA ASP 76 HA ASP 76 6.027 -0.515 6.690 560 HB2 ASP 76 HB2 ASP 76 4.480 -1.520 8.248 561 HB3 ASP 76 HB1 ASP 76 4.270 -2.911 7.195 562 H LEU 77 HN LEU 77 4.640 -2.755 4.353 563 HA LEU 77 HA LEU 77 6.901 -4.337 3.866 564 HB2 LEU 77 HB2 LEU 77 4.865 -3.385 1.850 565 HB3 LEU 77 HB1 LEU 77 6.035 -4.652 1.568 566 HG LEU 77 HG LEU 77 3.718 -4.729 3.488 567 HD11 LEU 77 HD11 LEU 77 3.099 -4.941 1.144 568 HD12 LEU 77 HD12 LEU 77 2.898 -6.477 1.984 569 HD13 LEU 77 HD13 LEU 77 4.285 -6.228 0.931 570 HD21 LEU 77 HD21 LEU 77 5.802 -6.841 2.893 571 HD22 LEU 77 HD22 LEU 77 4.370 -7.059 3.899 572 HD23 LEU 77 HD23 LEU 77 5.642 -5.947 4.406 573 H ILE 78 HN ILE 78 5.940 -1.282 2.395 574 HA ILE 78 HA ILE 78 8.252 -1.066 0.736 575 HB ILE 78 HB ILE 78 6.409 1.162 1.680 576 HG12 ILE 78 HG12 ILE 78 5.168 -0.641 0.489 577 HG13 ILE 78 HG11 ILE 78 5.176 0.873 -0.404 578 HG21 ILE 78 HG21 ILE 78 8.309 1.009 -0.669 579 HG22 ILE 78 HG22 ILE 78 8.527 1.980 0.787 580 HG23 ILE 78 HG23 ILE 78 7.214 2.351 -0.329 581 HD11 ILE 78 HD11 ILE 78 6.906 -1.531 -0.968 582 HD12 ILE 78 HD12 ILE 78 6.944 -0.017 -1.860 583 HD13 ILE 78 HD13 ILE 78 5.492 -1.021 -1.891 584 H ASN 79 HN ASN 79 7.235 0.488 3.781 585 HA ASN 79 HA ASN 79 9.489 2.034 4.292 586 HB2 ASN 79 HB2 ASN 79 7.632 0.655 6.237 587 HB3 ASN 79 HB1 ASN 79 8.924 1.723 6.756 588 HD21 ASN 79 HD21 ASN 79 8.610 3.641 4.602 589 HD22 ASN 79 HD22 ASN 79 7.103 4.443 4.895 590 H GLY 80 HN GLY 80 8.895 -1.330 5.214 591 HA2 GLY 80 HA2 GLY 80 11.269 -1.782 6.584 592 HA3 GLY 80 HA1 GLY 80 10.278 -3.003 5.797 593 H ALA 81 HN ALA 81 10.467 -2.333 3.174 594 HA ALA 81 HA ALA 81 12.928 -3.443 2.407 595 HB1 ALA 81 HB1 ALA 81 11.009 -1.822 0.725 596 HB2 ALA 81 HB2 ALA 81 10.907 -3.559 1.013 597 HB3 ALA 81 HB3 ALA 81 12.272 -2.892 0.112 598 H LEU 82 HN LEU 82 11.797 -0.136 2.473 599 HA LEU 82 HA LEU 82 14.133 1.052 1.393 600 HB2 LEU 82 HB2 LEU 82 11.967 2.194 3.149 601 HB3 LEU 82 HB1 LEU 82 13.220 3.142 2.382 602 HG LEU 82 HG LEU 82 11.197 1.500 0.864 603 HD11 LEU 82 HD11 LEU 82 11.249 4.456 1.445 604 HD12 LEU 82 HD12 LEU 82 10.100 3.292 2.103 605 HD13 LEU 82 HD13 LEU 82 10.117 3.633 0.374 606 HD21 LEU 82 HD21 LEU 82 13.290 1.906 -0.321 607 HD22 LEU 82 HD22 LEU 82 13.139 3.635 -0.006 608 HD23 LEU 82 HD23 LEU 82 11.964 2.818 -1.038 609 H ALA 83 HN ALA 83 13.084 0.305 4.679 610 HA ALA 83 HA ALA 83 15.215 1.553 6.032 611 HB1 ALA 83 HB1 ALA 83 14.591 0.143 7.925 612 HB2 ALA 83 HB2 ALA 83 13.601 -0.858 6.863 613 HB3 ALA 83 HB3 ALA 83 13.160 0.828 7.153 614 H GLU 84 HN GLU 84 14.875 -1.563 4.502 615 HA GLU 84 HA GLU 84 17.348 -2.590 5.498 616 HB2 GLU 84 HB2 GLU 84 15.647 -3.562 3.188 617 HB3 GLU 84 HB1 GLU 84 16.992 -4.442 3.908 618 HG2 GLU 84 HG2 GLU 84 15.776 -4.450 6.063 619 HG3 GLU 84 HG1 GLU 84 14.411 -3.692 5.252 620 H ALA 85 HN ALA 85 16.570 -0.368 3.105 621 HA ALA 85 HA ALA 85 19.073 -0.788 1.656 622 HB1 ALA 85 HB1 ALA 85 18.228 0.938 0.120 623 HB2 ALA 85 HB2 ALA 85 16.821 1.176 1.154 624 HB3 ALA 85 HB3 ALA 85 17.051 -0.361 0.317 625 H ALA 86 HN ALA 86 17.889 0.753 4.282 626 HA ALA 86 HA ALA 86 18.450 2.388 5.689 627 HB1 ALA 86 HB1 ALA 86 21.233 1.873 4.647 628 HB2 ALA 86 HB2 ALA 86 20.416 0.923 5.888 629 HB3 ALA 86 HB3 ALA 86 20.813 2.616 6.189 630 H282 PNS 87 H28A PNS 87 -8.307 -13.088 -2.821 631 H281 PNS 87 H28B PNS 87 -9.451 -12.083 -1.936 632 H303 PNS 87 H30A PNS 87 -10.795 -10.397 -3.157 633 H302 PNS 87 H30B PNS 87 -10.719 -10.319 -4.917 634 H301 PNS 87 H30C PNS 87 -9.343 -9.786 -3.950 635 H313 PNS 87 H31A PNS 87 -8.234 -13.059 -5.267 636 H312 PNS 87 H31B PNS 87 -7.867 -11.335 -5.224 637 H311 PNS 87 H31C PNS 87 -9.230 -11.922 -6.174 638 H32 PNS 87 H32A PNS 87 -10.315 -13.957 -4.025 639 H33 PNS 87 H33A PNS 87 -11.396 -13.868 -5.721 640 H36 PNS 87 H36A PNS 87 -13.106 -12.685 -4.551 641 H372 PNS 87 H37A PNS 87 -14.128 -12.961 -1.817 642 H371 PNS 87 H37B PNS 87 -14.326 -11.373 -2.549 643 H382 PNS 87 H38A PNS 87 -16.350 -12.641 -2.819 644 H381 PNS 87 H38B PNS 87 -15.598 -12.380 -4.396 645 H41 PNS 87 H41A PNS 87 -14.041 -14.709 -2.462 646 H422 PNS 87 H42A PNS 87 -15.537 -17.044 -3.282 647 H421 PNS 87 H42B PNS 87 -13.965 -16.821 -4.033 648 H431 PNS 87 H43A PNS 87 -13.631 -18.211 -2.139 649 H432 PNS 87 H43B PNS 87 -14.538 -17.102 -1.128 650 H44 PNS 87 H1 PNS 87 -11.892 -16.908 -0.411 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 19.897 4.531 2.258 2 H2 MET 1 HT2 MET 1 18.888 4.786 3.563 3 H3 MET 1 HT3 MET 1 20.534 4.905 3.793 4 HA MET 1 HA MET 1 19.536 7.082 3.734 5 HB2 MET 1 HB2 MET 1 21.093 6.451 1.212 6 HB3 MET 1 HB1 MET 1 20.820 8.064 1.843 7 HG2 MET 1 HG2 MET 1 22.096 7.512 3.838 8 HG3 MET 1 HG1 MET 1 22.350 5.877 3.233 9 HE1 MET 1 HE1 MET 1 24.707 7.801 4.191 10 HE2 MET 1 HE2 MET 1 25.909 7.508 2.933 11 HE3 MET 1 HE3 MET 1 24.972 6.164 3.589 12 H ALA 2 HN ALA 2 17.472 5.246 2.714 13 HA ALA 2 HA ALA 2 16.608 6.357 0.206 14 HB1 ALA 2 HB1 ALA 2 15.330 4.296 1.997 15 HB2 ALA 2 HB2 ALA 2 16.407 3.960 0.643 16 HB3 ALA 2 HB3 ALA 2 14.830 4.699 0.353 17 H THR 3 HN THR 3 14.083 6.687 0.179 18 HA THR 3 HA THR 3 13.476 8.654 2.253 19 HB THR 3 HB THR 3 13.869 9.798 0.191 20 HG1 THR 3 HG1 THR 3 11.758 10.208 1.393 21 HG21 THR 3 HG21 THR 3 12.705 9.295 -1.928 22 HG22 THR 3 HG22 THR 3 11.963 7.887 -1.170 23 HG23 THR 3 HG23 THR 3 13.712 7.950 -1.390 24 H LEU 4 HN LEU 4 12.040 7.765 3.621 25 HA LEU 4 HA LEU 4 10.282 5.637 2.865 26 HB2 LEU 4 HB2 LEU 4 10.116 7.380 5.336 27 HB3 LEU 4 HB1 LEU 4 9.347 5.846 5.081 28 HG LEU 4 HG LEU 4 12.334 6.207 5.289 29 HD11 LEU 4 HD11 LEU 4 12.077 5.224 7.511 30 HD12 LEU 4 HD12 LEU 4 10.322 5.238 7.317 31 HD13 LEU 4 HD13 LEU 4 11.215 6.754 7.386 32 HD21 LEU 4 HD21 LEU 4 11.648 4.250 3.994 33 HD22 LEU 4 HD22 LEU 4 10.594 3.747 5.315 34 HD23 LEU 4 HD23 LEU 4 12.342 3.782 5.546 35 H LEU 5 HN LEU 5 8.143 5.755 2.364 36 HA LEU 5 HA LEU 5 7.125 8.356 1.745 37 HB2 LEU 5 HB2 LEU 5 5.098 6.999 0.940 38 HB3 LEU 5 HB1 LEU 5 6.579 6.957 0.028 39 HG LEU 5 HG LEU 5 7.061 4.702 0.861 40 HD11 LEU 5 HD11 LEU 5 6.017 4.839 3.066 41 HD12 LEU 5 HD12 LEU 5 5.432 3.451 2.149 42 HD13 LEU 5 HD13 LEU 5 4.428 4.894 2.305 43 HD21 LEU 5 HD21 LEU 5 5.213 3.553 -0.245 44 HD22 LEU 5 HD22 LEU 5 5.786 4.962 -1.145 45 HD23 LEU 5 HD23 LEU 5 4.295 5.063 -0.216 46 H THR 6 HN THR 6 4.965 9.043 2.380 47 HA THR 6 HA THR 6 4.664 8.599 5.208 48 HB THR 6 HB THR 6 3.126 10.598 4.940 49 HG1 THR 6 HG1 THR 6 3.486 11.742 2.916 50 HG21 THR 6 HG21 THR 6 6.017 10.901 4.066 51 HG22 THR 6 HG22 THR 6 5.461 10.808 5.736 52 HG23 THR 6 HG23 THR 6 5.006 12.184 4.732 53 H THR 7 HN THR 7 2.081 9.204 5.654 54 HA THR 7 HA THR 7 0.677 6.844 4.969 55 HB THR 7 HB THR 7 -0.511 9.356 6.138 56 HG1 THR 7 HG1 THR 7 0.889 7.419 7.715 57 HG21 THR 7 HG21 THR 7 -1.975 7.411 5.738 58 HG22 THR 7 HG22 THR 7 -1.780 7.719 7.466 59 HG23 THR 7 HG23 THR 7 -0.894 6.403 6.701 60 H ASP 8 HN ASP 8 0.477 10.299 4.127 61 HA ASP 8 HA ASP 8 -1.750 10.177 2.415 62 HB2 ASP 8 HB2 ASP 8 -0.936 12.311 3.279 63 HB3 ASP 8 HB1 ASP 8 0.575 12.118 2.404 64 H ASP 9 HN ASP 9 1.645 9.561 1.841 65 HA ASP 9 HA ASP 9 1.358 9.463 -1.000 66 HB2 ASP 9 HB2 ASP 9 3.570 9.804 0.211 67 HB3 ASP 9 HB1 ASP 9 3.524 8.087 0.582 68 H LEU 10 HN LEU 10 1.446 6.995 1.548 69 HA LEU 10 HA LEU 10 1.024 4.698 0.012 70 HB2 LEU 10 HB2 LEU 10 1.424 4.619 2.427 71 HB3 LEU 10 HB1 LEU 10 -0.113 5.407 2.724 72 HG LEU 10 HG LEU 10 -1.223 3.414 1.662 73 HD11 LEU 10 HD11 LEU 10 0.027 1.322 1.577 74 HD12 LEU 10 HD12 LEU 10 1.511 2.205 1.932 75 HD13 LEU 10 HD13 LEU 10 0.632 2.521 0.433 76 HD21 LEU 10 HD21 LEU 10 -1.032 2.022 3.672 77 HD22 LEU 10 HD22 LEU 10 -1.197 3.732 4.073 78 HD23 LEU 10 HD23 LEU 10 0.381 2.951 4.173 79 H ARG 11 HN ARG 11 -1.238 6.939 1.429 80 HA ARG 11 HA ARG 11 -3.696 5.992 0.633 81 HB2 ARG 11 HB2 ARG 11 -3.419 7.815 2.148 82 HB3 ARG 11 HB1 ARG 11 -2.629 8.782 0.918 83 HG2 ARG 11 HG2 ARG 11 -4.774 8.794 -0.328 84 HG3 ARG 11 HG1 ARG 11 -5.518 8.011 1.075 85 HD2 ARG 11 HD2 ARG 11 -4.846 9.831 2.493 86 HD3 ARG 11 HD1 ARG 11 -3.992 10.595 1.152 87 HE ARG 11 HE ARG 11 -6.785 10.092 0.713 88 HH11 ARG 11 HH11 ARG 11 -4.301 12.490 1.642 89 HH12 ARG 11 HH12 ARG 11 -5.419 13.786 1.631 90 HH21 ARG 11 HH21 ARG 11 -8.189 11.886 0.568 91 HH22 ARG 11 HH22 ARG 11 -7.656 13.469 0.899 92 H ARG 12 HN ARG 12 -1.621 8.308 -1.114 93 HA ARG 12 HA ARG 12 -3.154 8.660 -3.424 94 HB2 ARG 12 HB2 ARG 12 -0.172 8.722 -3.040 95 HB3 ARG 12 HB1 ARG 12 -0.978 9.211 -4.523 96 HG2 ARG 12 HG2 ARG 12 -2.096 10.996 -3.382 97 HG3 ARG 12 HG1 ARG 12 -1.462 10.444 -1.828 98 HD2 ARG 12 HD2 ARG 12 -0.201 12.346 -2.670 99 HD3 ARG 12 HD1 ARG 12 0.802 10.903 -2.578 100 HE ARG 12 HE ARG 12 -0.125 10.920 -5.139 101 HH11 ARG 12 HH11 ARG 12 1.349 13.468 -3.254 102 HH12 ARG 12 HH12 ARG 12 2.445 13.987 -4.463 103 HH21 ARG 12 HH21 ARG 12 1.277 11.633 -6.874 104 HH22 ARG 12 HH22 ARG 12 2.387 12.893 -6.604 105 H ALA 13 HN ALA 13 -0.635 6.308 -2.737 106 HA ALA 13 HA ALA 13 -0.730 5.067 -5.280 107 HB1 ALA 13 HB1 ALA 13 0.314 4.000 -2.673 108 HB2 ALA 13 HB2 ALA 13 1.228 4.967 -3.832 109 HB3 ALA 13 HB3 ALA 13 0.660 3.356 -4.277 110 H LEU 14 HN LEU 14 -2.550 4.695 -2.389 111 HA LEU 14 HA LEU 14 -3.516 2.076 -3.065 112 HB2 LEU 14 HB2 LEU 14 -3.166 3.125 -0.750 113 HB3 LEU 14 HB1 LEU 14 -4.672 3.970 -1.028 114 HG LEU 14 HG LEU 14 -5.815 1.772 -1.225 115 HD11 LEU 14 HD11 LEU 14 -3.902 0.438 -1.932 116 HD12 LEU 14 HD12 LEU 14 -4.635 -0.238 -0.477 117 HD13 LEU 14 HD13 LEU 14 -3.136 0.685 -0.362 118 HD21 LEU 14 HD21 LEU 14 -4.268 2.216 1.329 119 HD22 LEU 14 HD22 LEU 14 -5.731 1.243 1.167 120 HD23 LEU 14 HD23 LEU 14 -5.796 2.984 0.895 121 H VAL 15 HN VAL 15 -4.839 5.378 -2.993 122 HA VAL 15 HA VAL 15 -7.435 4.776 -3.878 123 HB VAL 15 HB VAL 15 -5.941 7.421 -4.147 124 HG11 VAL 15 HG11 VAL 15 -7.873 7.409 -5.634 125 HG12 VAL 15 HG12 VAL 15 -8.137 8.501 -4.273 126 HG13 VAL 15 HG13 VAL 15 -8.915 6.918 -4.299 127 HG21 VAL 15 HG21 VAL 15 -6.106 6.667 -1.849 128 HG22 VAL 15 HG22 VAL 15 -7.851 6.458 -2.030 129 HG23 VAL 15 HG23 VAL 15 -7.139 8.070 -2.122 130 H GLU 16 HN GLU 16 -4.543 4.848 -5.681 131 HA GLU 16 HA GLU 16 -5.664 5.498 -8.204 132 HB2 GLU 16 HB2 GLU 16 -3.196 5.532 -7.683 133 HB3 GLU 16 HB1 GLU 16 -3.220 3.776 -7.728 134 HG2 GLU 16 HG2 GLU 16 -3.955 3.857 -10.074 135 HG3 GLU 16 HG1 GLU 16 -3.878 5.615 -10.026 136 H SER 17 HN SER 17 -5.538 2.569 -6.316 137 HA SER 17 HA SER 17 -6.665 1.100 -8.523 138 HB2 SER 17 HB2 SER 17 -6.685 -0.796 -6.651 139 HB3 SER 17 HB1 SER 17 -5.213 -0.372 -7.527 140 HG SER 17 HG SER 17 -5.814 0.945 -5.075 141 H ALA 18 HN ALA 18 -7.753 2.064 -5.214 142 HA ALA 18 HA ALA 18 -10.405 1.694 -6.318 143 HB1 ALA 18 HB1 ALA 18 -9.655 1.227 -3.439 144 HB2 ALA 18 HB2 ALA 18 -9.985 -0.032 -4.629 145 HB3 ALA 18 HB3 ALA 18 -11.265 1.082 -4.142 146 H GLY 19 HN GLY 19 -10.698 3.542 -6.927 147 HA2 GLY 19 HA2 GLY 19 -11.454 5.543 -4.976 148 HA3 GLY 19 HA1 GLY 19 -10.288 6.048 -6.211 149 H GLU 20 HN GLU 20 -12.945 3.801 -6.308 150 HA GLU 20 HA GLU 20 -13.847 4.965 -8.846 151 HB2 GLU 20 HB2 GLU 20 -14.489 2.280 -7.615 152 HB3 GLU 20 HB1 GLU 20 -14.721 2.778 -9.285 153 HG2 GLU 20 HG2 GLU 20 -12.291 2.903 -9.570 154 HG3 GLU 20 HG1 GLU 20 -12.090 2.343 -7.909 155 H THR 21 HN THR 21 -16.394 3.384 -8.401 156 HA THR 21 HA THR 21 -17.779 5.368 -6.854 157 HB THR 21 HB THR 21 -18.858 2.797 -7.938 158 HG1 THR 21 HG1 THR 21 -17.769 4.567 -9.425 159 HG21 THR 21 HG21 THR 21 -20.258 3.946 -6.330 160 HG22 THR 21 HG22 THR 21 -21.007 4.046 -7.934 161 HG23 THR 21 HG23 THR 21 -20.146 5.439 -7.255 162 H ASP 22 HN ASP 22 -16.449 4.819 -5.164 163 HA ASP 22 HA ASP 22 -17.805 3.193 -3.215 164 HB2 ASP 22 HB2 ASP 22 -15.572 2.259 -2.352 165 HB3 ASP 22 HB1 ASP 22 -16.128 1.570 -3.865 166 H GLY 23 HN GLY 23 -14.769 4.949 -3.498 167 HA2 GLY 23 HA2 GLY 23 -13.950 6.807 -2.506 168 HA3 GLY 23 HA1 GLY 23 -15.590 7.459 -2.606 169 H THR 24 HN THR 24 -14.158 4.817 -0.810 170 HA THR 24 HA THR 24 -15.521 5.466 1.583 171 HB THR 24 HB THR 24 -14.756 3.158 1.091 172 HG1 THR 24 HG1 THR 24 -14.249 2.658 3.130 173 HG21 THR 24 HG21 THR 24 -11.960 4.245 1.483 174 HG22 THR 24 HG22 THR 24 -12.642 3.655 -0.032 175 HG23 THR 24 HG23 THR 24 -12.377 2.539 1.308 176 H ASP 25 HN ASP 25 -14.518 6.299 3.583 177 HA ASP 25 HA ASP 25 -12.708 8.436 2.936 178 HB2 ASP 25 HB2 ASP 25 -14.513 8.821 4.585 179 HB3 ASP 25 HB1 ASP 25 -13.773 7.636 5.655 180 H LEU 26 HN LEU 26 -10.882 7.781 2.386 181 HA LEU 26 HA LEU 26 -9.426 5.739 3.896 182 HB2 LEU 26 HB2 LEU 26 -10.142 5.551 1.434 183 HB3 LEU 26 HB1 LEU 26 -8.993 6.819 1.118 184 HG LEU 26 HG LEU 26 -7.151 5.364 1.791 185 HD11 LEU 26 HD11 LEU 26 -8.346 4.057 3.496 186 HD12 LEU 26 HD12 LEU 26 -7.578 3.003 2.309 187 HD13 LEU 26 HD13 LEU 26 -9.317 3.296 2.236 188 HD21 LEU 26 HD21 LEU 26 -9.091 4.115 -0.153 189 HD22 LEU 26 HD22 LEU 26 -7.365 3.746 -0.062 190 HD23 LEU 26 HD23 LEU 26 -7.911 5.362 -0.525 191 H SER 27 HN SER 27 -9.705 8.484 4.689 192 HA SER 27 HA SER 27 -7.003 9.573 4.314 193 HB2 SER 27 HB2 SER 27 -9.531 11.042 5.081 194 HB3 SER 27 HB1 SER 27 -7.982 11.758 4.649 195 HG SER 27 HG SER 27 -9.506 11.819 2.939 196 H GLY 28 HN GLY 28 -6.302 10.847 6.368 197 HA2 GLY 28 HA2 GLY 28 -6.109 11.117 8.616 198 HA3 GLY 28 HA1 GLY 28 -7.663 10.322 8.816 199 H ASP 29 HN ASP 29 -7.514 8.635 10.061 200 HA ASP 29 HA ASP 29 -5.045 7.027 10.065 201 HB2 ASP 29 HB2 ASP 29 -5.857 8.136 12.226 202 HB3 ASP 29 HB1 ASP 29 -7.249 7.068 12.156 203 H PHE 30 HN PHE 30 -5.332 5.464 8.619 204 HA PHE 30 HA PHE 30 -7.898 3.995 8.582 205 HB2 PHE 30 HB2 PHE 30 -7.897 3.997 6.115 206 HB3 PHE 30 HB1 PHE 30 -8.018 5.617 6.783 207 HD1 PHE 30 HD1 PHE 30 -6.107 7.172 6.593 208 HD2 PHE 30 HD2 PHE 30 -6.009 3.316 4.793 209 HE1 PHE 30 HE1 PHE 30 -4.216 7.878 5.189 210 HE2 PHE 30 HE2 PHE 30 -4.116 4.018 3.391 211 HZ PHE 30 HZ PHE 30 -3.218 6.299 3.586 212 H LEU 31 HN LEU 31 -4.847 3.573 9.224 213 HA LEU 31 HA LEU 31 -3.983 1.543 7.438 214 HB2 LEU 31 HB2 LEU 31 -2.933 2.791 9.885 215 HB3 LEU 31 HB1 LEU 31 -2.422 1.139 9.604 216 HG LEU 31 HG LEU 31 -1.338 1.703 7.570 217 HD11 LEU 31 HD11 LEU 31 -2.444 4.491 7.837 218 HD12 LEU 31 HD12 LEU 31 -2.947 3.268 6.660 219 HD13 LEU 31 HD13 LEU 31 -1.301 3.905 6.622 220 HD21 LEU 31 HD21 LEU 31 -0.782 3.804 9.639 221 HD22 LEU 31 HD22 LEU 31 0.303 3.333 8.328 222 HD23 LEU 31 HD23 LEU 31 -0.109 2.175 9.592 223 H ASP 32 HN ASP 32 -6.160 1.402 9.989 224 HA ASP 32 HA ASP 32 -5.731 -1.474 10.373 225 HB2 ASP 32 HB2 ASP 32 -7.069 -1.353 12.342 226 HB3 ASP 32 HB1 ASP 32 -5.984 0.027 12.383 227 H LEU 33 HN LEU 33 -7.459 0.418 8.309 228 HA LEU 33 HA LEU 33 -9.971 -1.002 8.350 229 HB2 LEU 33 HB2 LEU 33 -8.742 0.798 6.255 230 HB3 LEU 33 HB1 LEU 33 -10.350 0.125 6.155 231 HG LEU 33 HG LEU 33 -9.406 2.089 8.246 232 HD11 LEU 33 HD11 LEU 33 -10.864 3.660 7.066 233 HD12 LEU 33 HD12 LEU 33 -11.211 2.430 5.853 234 HD13 LEU 33 HD13 LEU 33 -9.578 3.070 6.014 235 HD21 LEU 33 HD21 LEU 33 -11.145 0.581 9.073 236 HD22 LEU 33 HD22 LEU 33 -12.146 0.961 7.670 237 HD23 LEU 33 HD23 LEU 33 -11.769 2.215 8.853 238 H ARG 34 HN ARG 34 -10.159 -3.009 7.645 239 HA ARG 34 HA ARG 34 -8.043 -4.301 6.247 240 HB2 ARG 34 HB2 ARG 34 -10.881 -5.271 6.591 241 HB3 ARG 34 HB1 ARG 34 -9.529 -6.237 6.026 242 HG2 ARG 34 HG2 ARG 34 -8.436 -5.749 8.242 243 HG3 ARG 34 HG1 ARG 34 -10.006 -5.127 8.767 244 HD2 ARG 34 HD2 ARG 34 -9.371 -7.908 7.786 245 HD3 ARG 34 HD1 ARG 34 -9.785 -7.439 9.430 246 HE ARG 34 HE ARG 34 -11.921 -6.636 7.971 247 HH11 ARG 34 HH11 ARG 34 -10.231 -9.761 8.249 248 HH12 ARG 34 HH12 ARG 34 -11.616 -10.703 7.971 249 HH21 ARG 34 HH21 ARG 34 -13.856 -7.969 7.575 250 HH22 ARG 34 HH22 ARG 34 -13.716 -9.666 7.614 251 H PHE 35 HN PHE 35 -7.910 -5.013 4.193 252 HA PHE 35 HA PHE 35 -8.948 -3.284 2.237 253 HB2 PHE 35 HB2 PHE 35 -7.478 -5.904 1.956 254 HB3 PHE 35 HB1 PHE 35 -7.904 -4.871 0.593 255 HD1 PHE 35 HD2 PHE 35 -7.237 -2.266 1.144 256 HD2 PHE 35 HD1 PHE 35 -5.312 -5.741 2.631 257 HE1 PHE 35 HE2 PHE 35 -5.185 -0.972 1.505 258 HE2 PHE 35 HE1 PHE 35 -3.253 -4.456 3.000 259 HZ PHE 35 HZ PHE 35 -3.199 -2.032 2.384 260 H GLU 36 HN GLU 36 -10.064 -6.255 3.510 261 HA GLU 36 HA GLU 36 -11.947 -6.989 1.570 262 HB2 GLU 36 HB2 GLU 36 -12.084 -7.227 4.576 263 HB3 GLU 36 HB1 GLU 36 -13.167 -8.046 3.457 264 HG2 GLU 36 HG2 GLU 36 -10.188 -8.406 3.516 265 HG3 GLU 36 HG1 GLU 36 -11.346 -9.463 4.322 266 H ASP 37 HN ASP 37 -12.163 -4.711 4.269 267 HA ASP 37 HA ASP 37 -14.943 -4.127 3.942 268 HB2 ASP 37 HB2 ASP 37 -13.654 -3.770 6.070 269 HB3 ASP 37 HB1 ASP 37 -12.847 -2.415 5.289 270 H ILE 38 HN ILE 38 -11.944 -2.615 2.957 271 HA ILE 38 HA ILE 38 -13.401 -0.473 1.697 272 HB ILE 38 HB ILE 38 -11.162 0.501 1.126 273 HG12 ILE 38 HG12 ILE 38 -10.134 -1.796 2.809 274 HG13 ILE 38 HG11 ILE 38 -9.905 -1.634 1.077 275 HG21 ILE 38 HG21 ILE 38 -10.628 1.130 3.446 276 HG22 ILE 38 HG22 ILE 38 -11.655 -0.189 4.019 277 HG23 ILE 38 HG23 ILE 38 -12.367 1.158 3.136 278 HD11 ILE 38 HD11 ILE 38 -8.605 0.415 1.466 279 HD12 ILE 38 HD12 ILE 38 -7.915 -1.009 2.231 280 HD13 ILE 38 HD13 ILE 38 -8.787 0.179 3.211 281 H GLY 39 HN GLY 39 -13.197 -3.340 0.681 282 HA2 GLY 39 HA2 GLY 39 -13.606 -4.304 -1.378 283 HA3 GLY 39 HA1 GLY 39 -13.833 -2.680 -1.985 284 H TYR 40 HN TYR 40 -10.917 -4.408 -0.772 285 HA TYR 40 HA TYR 40 -9.672 -3.673 -3.263 286 HB2 TYR 40 HB2 TYR 40 -8.787 -3.889 -0.493 287 HB3 TYR 40 HB1 TYR 40 -7.620 -4.381 -1.700 288 HD1 TYR 40 HD1 TYR 40 -9.813 -1.640 -0.609 289 HD2 TYR 40 HD2 TYR 40 -6.481 -2.745 -2.974 290 HE1 TYR 40 HE1 TYR 40 -9.340 0.721 -1.011 291 HE2 TYR 40 HE2 TYR 40 -5.976 -0.402 -3.393 292 HH TYR 40 HH TYR 40 -7.555 2.144 -1.669 293 H ASP 41 HN ASP 41 -8.160 -5.055 -4.140 294 HA ASP 41 HA ASP 41 -8.821 -7.935 -3.988 295 HB2 ASP 41 HB2 ASP 41 -9.323 -6.552 -6.161 296 HB3 ASP 41 HB1 ASP 41 -7.563 -6.392 -6.200 297 H SER 42 HN SER 42 -6.920 -9.211 -4.394 298 HA SER 42 HA SER 42 -4.590 -8.348 -2.992 299 HB2 SER 42 HB2 SER 42 -4.870 -10.722 -4.845 300 HB3 SER 42 HB1 SER 42 -3.649 -10.493 -3.586 301 H LEU 43 HN LEU 43 -5.498 -8.728 -6.374 302 HA LEU 43 HA LEU 43 -2.926 -8.171 -7.454 303 HB2 LEU 43 HB2 LEU 43 -5.651 -7.866 -8.729 304 HB3 LEU 43 HB1 LEU 43 -4.124 -7.855 -9.589 305 HG LEU 43 HG LEU 43 -5.295 -10.210 -8.101 306 HD11 LEU 43 HD11 LEU 43 -6.489 -9.709 -10.145 307 HD12 LEU 43 HD12 LEU 43 -5.556 -11.196 -10.298 308 HD13 LEU 43 HD13 LEU 43 -4.971 -9.707 -11.047 309 HD21 LEU 43 HD21 LEU 43 -2.796 -10.012 -9.777 310 HD22 LEU 43 HD22 LEU 43 -3.465 -11.492 -9.088 311 HD23 LEU 43 HD23 LEU 43 -2.857 -10.220 -8.026 312 H ALA 44 HN ALA 44 -5.623 -6.253 -6.448 313 HA ALA 44 HA ALA 44 -4.773 -3.773 -7.560 314 HB1 ALA 44 HB1 ALA 44 -6.545 -4.278 -5.163 315 HB2 ALA 44 HB2 ALA 44 -7.092 -4.144 -6.835 316 HB3 ALA 44 HB3 ALA 44 -6.385 -2.746 -6.020 317 H LEU 45 HN LEU 45 -4.169 -5.460 -4.548 318 HA LEU 45 HA LEU 45 -2.755 -3.347 -3.298 319 HB2 LEU 45 HB2 LEU 45 -2.638 -6.320 -2.827 320 HB3 LEU 45 HB1 LEU 45 -1.937 -5.110 -1.771 321 HG LEU 45 HG LEU 45 -4.866 -5.425 -2.364 322 HD11 LEU 45 HD11 LEU 45 -3.979 -7.220 -0.979 323 HD12 LEU 45 HD12 LEU 45 -5.007 -6.134 -0.038 324 HD13 LEU 45 HD13 LEU 45 -3.252 -6.029 0.099 325 HD21 LEU 45 HD21 LEU 45 -4.241 -3.112 -1.992 326 HD22 LEU 45 HD22 LEU 45 -3.380 -3.573 -0.525 327 HD23 LEU 45 HD23 LEU 45 -5.136 -3.744 -0.603 328 H MET 46 HN MET 46 -1.878 -6.108 -5.247 329 HA MET 46 HA MET 46 0.928 -5.855 -5.152 330 HB2 MET 46 HB2 MET 46 -0.797 -6.926 -7.401 331 HB3 MET 46 HB1 MET 46 0.936 -7.177 -7.248 332 HG2 MET 46 HG2 MET 46 0.629 -8.482 -5.258 333 HG3 MET 46 HG1 MET 46 -1.091 -8.107 -5.231 334 HE1 MET 46 HE1 MET 46 -1.233 -11.893 -6.117 335 HE2 MET 46 HE2 MET 46 -1.871 -10.606 -5.090 336 HE3 MET 46 HE3 MET 46 -0.177 -11.082 -4.960 337 H GLU 47 HN GLU 47 -1.504 -4.539 -7.363 338 HA GLU 47 HA GLU 47 0.141 -3.089 -9.084 339 HB2 GLU 47 HB2 GLU 47 -2.307 -3.495 -9.376 340 HB3 GLU 47 HB1 GLU 47 -2.624 -2.351 -8.087 341 HG2 GLU 47 HG2 GLU 47 -1.581 -0.578 -9.442 342 HG3 GLU 47 HG1 GLU 47 -1.354 -1.743 -10.745 343 H THR 48 HN THR 48 -1.329 -2.204 -6.011 344 HA THR 48 HA THR 48 -0.489 0.435 -5.783 345 HB THR 48 HB THR 48 -0.971 -1.627 -3.605 346 HG1 THR 48 HG1 THR 48 -2.861 -1.315 -4.773 347 HG21 THR 48 HG21 THR 48 -0.946 1.395 -3.441 348 HG22 THR 48 HG22 THR 48 0.270 0.326 -2.737 349 HG23 THR 48 HG23 THR 48 -1.390 0.298 -2.134 350 H ALA 49 HN ALA 49 1.096 -2.514 -4.538 351 HA ALA 49 HA ALA 49 3.358 -1.158 -3.556 352 HB1 ALA 49 HB1 ALA 49 2.723 -3.389 -2.783 353 HB2 ALA 49 HB2 ALA 49 4.388 -3.351 -3.358 354 HB3 ALA 49 HB3 ALA 49 3.123 -4.053 -4.367 355 H ALA 50 HN ALA 50 2.715 -2.727 -6.670 356 HA ALA 50 HA ALA 50 5.272 -2.654 -7.755 357 HB1 ALA 50 HB1 ALA 50 4.219 -2.853 -9.931 358 HB2 ALA 50 HB2 ALA 50 2.674 -2.334 -9.255 359 HB3 ALA 50 HB3 ALA 50 3.386 -3.868 -8.755 360 H ARG 51 HN ARG 51 2.810 -0.121 -7.820 361 HA ARG 51 HA ARG 51 4.442 1.592 -9.410 362 HB2 ARG 51 HB2 ARG 51 2.770 3.406 -8.790 363 HB3 ARG 51 HB1 ARG 51 2.142 2.004 -9.635 364 HG2 ARG 51 HG2 ARG 51 1.417 1.111 -7.411 365 HG3 ARG 51 HG1 ARG 51 1.855 2.677 -6.729 366 HD2 ARG 51 HD2 ARG 51 0.230 3.807 -7.994 367 HD3 ARG 51 HD1 ARG 51 -0.008 2.428 -9.071 368 HE ARG 51 HE ARG 51 -0.796 2.387 -6.229 369 HH11 ARG 51 HH11 ARG 51 -1.737 2.101 -9.597 370 HH12 ARG 51 HH12 ARG 51 -3.052 1.045 -9.297 371 HH21 ARG 51 HH21 ARG 51 -2.679 1.064 -5.777 372 HH22 ARG 51 HH22 ARG 51 -3.637 0.510 -7.041 373 H LEU 52 HN LEU 52 4.296 0.959 -6.086 374 HA LEU 52 HA LEU 52 5.723 3.345 -5.345 375 HB2 LEU 52 HB2 LEU 52 4.992 0.873 -3.792 376 HB3 LEU 52 HB1 LEU 52 5.845 2.236 -3.097 377 HG LEU 52 HG LEU 52 3.066 2.317 -4.262 378 HD11 LEU 52 HD11 LEU 52 2.348 2.652 -1.952 379 HD12 LEU 52 HD12 LEU 52 4.010 2.434 -1.404 380 HD13 LEU 52 HD13 LEU 52 3.150 1.094 -2.162 381 HD21 LEU 52 HD21 LEU 52 4.252 4.425 -4.570 382 HD22 LEU 52 HD22 LEU 52 4.688 4.444 -2.861 383 HD23 LEU 52 HD23 LEU 52 2.997 4.592 -3.340 384 H GLU 53 HN GLU 53 6.433 -0.081 -5.830 385 HA GLU 53 HA GLU 53 9.074 -0.272 -5.029 386 HB2 GLU 53 HB2 GLU 53 7.870 -1.417 -7.539 387 HB3 GLU 53 HB1 GLU 53 9.414 -1.877 -6.872 388 HG2 GLU 53 HG2 GLU 53 8.262 -2.791 -4.919 389 HG3 GLU 53 HG1 GLU 53 6.710 -2.352 -5.661 390 H SER 54 HN SER 54 7.815 0.719 -8.128 391 HA SER 54 HA SER 54 10.167 1.183 -9.489 392 HB2 SER 54 HB2 SER 54 8.042 0.988 -10.612 393 HB3 SER 54 HB1 SER 54 7.435 2.427 -9.805 394 HG SER 54 HG SER 54 9.371 2.193 -11.841 395 H ARG 55 HN ARG 55 8.304 3.434 -7.454 396 HA ARG 55 HA ARG 55 9.940 5.674 -8.217 397 HB2 ARG 55 HB2 ARG 55 7.545 5.921 -7.545 398 HB3 ARG 55 HB1 ARG 55 8.000 5.490 -5.902 399 HG2 ARG 55 HG2 ARG 55 9.600 7.437 -5.966 400 HG3 ARG 55 HG1 ARG 55 8.806 7.936 -7.458 401 HD2 ARG 55 HD2 ARG 55 7.538 7.616 -4.741 402 HD3 ARG 55 HD1 ARG 55 7.918 9.129 -5.540 403 HE ARG 55 HE ARG 55 6.208 7.953 -7.282 404 HH11 ARG 55 HH11 ARG 55 6.051 8.510 -3.778 405 HH12 ARG 55 HH12 ARG 55 4.396 8.706 -3.718 406 HH21 ARG 55 HH21 ARG 55 3.935 8.203 -7.240 407 HH22 ARG 55 HH22 ARG 55 3.108 8.514 -5.778 408 H TYR 56 HN TYR 56 9.813 3.453 -5.500 409 HA TYR 56 HA TYR 56 11.812 5.063 -4.161 410 HB2 TYR 56 HB2 TYR 56 10.084 2.837 -3.100 411 HB3 TYR 56 HB1 TYR 56 11.316 3.677 -2.144 412 HD1 TYR 56 HD1 TYR 56 11.102 6.076 -1.688 413 HD2 TYR 56 HD2 TYR 56 7.987 3.925 -3.604 414 HE1 TYR 56 HE1 TYR 56 9.573 7.940 -1.277 415 HE2 TYR 56 HE2 TYR 56 6.437 5.787 -3.189 416 HH TYR 56 HH TYR 56 6.181 7.715 -1.774 417 H GLY 57 HN GLY 57 11.812 2.403 -6.129 418 HA2 GLY 57 HA2 GLY 57 13.672 1.336 -6.948 419 HA3 GLY 57 HA1 GLY 57 14.638 2.134 -5.718 420 H VAL 58 HN VAL 58 11.812 0.106 -5.257 421 HA VAL 58 HA VAL 58 13.585 -1.747 -3.843 422 HB VAL 58 HB VAL 58 11.746 -2.364 -2.303 423 HG11 VAL 58 HG11 VAL 58 13.363 -0.724 -1.589 424 HG12 VAL 58 HG12 VAL 58 11.770 -0.339 -0.936 425 HG13 VAL 58 HG13 VAL 58 12.405 0.568 -2.311 426 HG21 VAL 58 HG21 VAL 58 9.748 -0.947 -2.131 427 HG22 VAL 58 HG22 VAL 58 9.834 -1.769 -3.690 428 HG23 VAL 58 HG23 VAL 58 10.261 -0.062 -3.569 429 H SER 59 HN SER 59 12.423 -3.966 -3.477 430 HA SER 59 HA SER 59 10.831 -4.677 -5.788 431 HB2 SER 59 HB2 SER 59 13.324 -6.146 -4.868 432 HB3 SER 59 HB1 SER 59 12.245 -6.656 -6.170 433 HG SER 59 HG SER 59 13.038 -4.100 -6.434 434 H ILE 60 HN ILE 60 9.046 -5.453 -4.955 435 HA ILE 60 HA ILE 60 9.160 -7.185 -2.577 436 HB ILE 60 HB ILE 60 7.022 -5.109 -3.209 437 HG12 ILE 60 HG12 ILE 60 9.034 -5.186 -0.944 438 HG13 ILE 60 HG11 ILE 60 9.144 -4.146 -2.357 439 HG21 ILE 60 HG21 ILE 60 6.069 -7.097 -2.156 440 HG22 ILE 60 HG22 ILE 60 6.044 -5.735 -1.036 441 HG23 ILE 60 HG23 ILE 60 7.261 -7.000 -0.860 442 HD11 ILE 60 HD11 ILE 60 7.086 -3.030 -1.693 443 HD12 ILE 60 HD12 ILE 60 8.317 -2.941 -0.433 444 HD13 ILE 60 HD13 ILE 60 6.976 -4.076 -0.276 445 HA PRO 61 HA PRO 61 7.364 -9.966 -5.568 446 HB2 PRO 61 HB2 PRO 61 6.560 -11.440 -3.120 447 HB3 PRO 61 HB1 PRO 61 7.474 -12.002 -4.524 448 HG2 PRO 61 HG2 PRO 61 8.707 -11.534 -2.219 449 HG3 PRO 61 HG1 PRO 61 9.464 -11.094 -3.762 450 HD2 PRO 61 HD2 PRO 61 8.073 -9.357 -1.765 451 HD3 PRO 61 HD1 PRO 61 9.557 -9.044 -2.690 452 H ASP 62 HN ASP 62 5.492 -9.950 -6.487 453 HA ASP 62 HA ASP 62 3.238 -8.499 -5.838 454 HB2 ASP 62 HB2 ASP 62 3.301 -11.041 -7.484 455 HB3 ASP 62 HB1 ASP 62 1.979 -9.892 -7.454 456 H ASP 63 HN ASP 63 3.759 -11.949 -5.386 457 HA ASP 63 HA ASP 63 1.230 -12.681 -4.457 458 HB2 ASP 63 HB2 ASP 63 3.055 -14.213 -5.223 459 HB3 ASP 63 HB1 ASP 63 3.853 -13.962 -3.678 460 H VAL 64 HN VAL 64 3.878 -11.269 -2.784 461 HA VAL 64 HA VAL 64 2.914 -11.670 -0.068 462 HB VAL 64 HB VAL 64 5.000 -9.860 -1.249 463 HG11 VAL 64 HG11 VAL 64 5.915 -9.716 1.078 464 HG12 VAL 64 HG12 VAL 64 4.535 -10.656 1.651 465 HG13 VAL 64 HG13 VAL 64 4.284 -9.056 0.955 466 HG21 VAL 64 HG21 VAL 64 5.310 -12.555 0.072 467 HG22 VAL 64 HG22 VAL 64 6.646 -11.512 -0.410 468 HG23 VAL 64 HG23 VAL 64 5.561 -12.175 -1.633 469 H ALA 65 HN ALA 65 3.296 -8.968 -2.302 470 HA ALA 65 HA ALA 65 2.301 -6.879 -0.762 471 HB1 ALA 65 HB1 ALA 65 2.093 -7.207 -3.739 472 HB2 ALA 65 HB2 ALA 65 3.511 -6.611 -2.873 473 HB3 ALA 65 HB3 ALA 65 2.002 -5.690 -2.845 474 H GLY 66 HN GLY 66 0.547 -9.180 -2.741 475 HA2 GLY 66 HA2 GLY 66 -1.943 -7.757 -2.330 476 HA3 GLY 66 HA1 GLY 66 -1.736 -9.257 -3.215 477 H ARG 67 HN ARG 67 -0.196 -9.896 -0.432 478 HA ARG 67 HA ARG 67 -2.631 -11.181 0.547 479 HB2 ARG 67 HB2 ARG 67 -0.667 -12.600 -0.186 480 HB3 ARG 67 HB1 ARG 67 0.216 -11.973 1.195 481 HG2 ARG 67 HG2 ARG 67 -1.332 -12.990 2.720 482 HG3 ARG 67 HG1 ARG 67 -2.382 -13.479 1.393 483 HD2 ARG 67 HD2 ARG 67 -0.629 -14.934 0.532 484 HD3 ARG 67 HD1 ARG 67 0.444 -14.426 1.838 485 HE ARG 67 HE ARG 67 -1.449 -15.323 3.301 486 HH11 ARG 67 HH11 ARG 67 -0.421 -16.775 0.209 487 HH12 ARG 67 HH12 ARG 67 -0.809 -18.358 0.687 488 HH21 ARG 67 HH21 ARG 67 -2.013 -17.565 3.881 489 HH22 ARG 67 HH22 ARG 67 -1.714 -18.812 2.747 490 H VAL 68 HN VAL 68 -1.375 -8.442 1.144 491 HA VAL 68 HA VAL 68 -1.236 -8.648 4.014 492 HB VAL 68 HB VAL 68 -1.127 -6.098 4.007 493 HG11 VAL 68 HG11 VAL 68 0.903 -7.452 4.058 494 HG12 VAL 68 HG12 VAL 68 1.149 -5.989 3.105 495 HG13 VAL 68 HG13 VAL 68 0.902 -7.535 2.297 496 HG21 VAL 68 HG21 VAL 68 -0.961 -6.506 1.031 497 HG22 VAL 68 HG22 VAL 68 -0.665 -4.989 1.865 498 HG23 VAL 68 HG23 VAL 68 -2.289 -5.700 1.874 499 H ASP 69 HN ASP 69 -2.757 -7.277 5.394 500 HA ASP 69 HA ASP 69 -5.468 -7.667 4.290 501 HB2 ASP 69 HB2 ASP 69 -4.971 -9.325 5.981 502 HB3 ASP 69 HB1 ASP 69 -4.437 -8.081 7.092 503 H THR 70 HN THR 70 -3.422 -5.708 6.308 504 HA THR 70 HA THR 70 -5.443 -3.598 6.135 505 HB THR 70 HB THR 70 -4.489 -2.757 8.347 506 HG1 THR 70 HG1 THR 70 -3.087 -5.192 8.064 507 HG21 THR 70 HG21 THR 70 -5.774 -4.372 9.702 508 HG22 THR 70 HG22 THR 70 -5.796 -5.480 8.324 509 HG23 THR 70 HG23 THR 70 -6.635 -3.935 8.224 510 HA PRO 71 HA PRO 71 -2.668 -1.052 3.871 511 HB2 PRO 71 HB2 PRO 71 -3.382 1.138 5.768 512 HB3 PRO 71 HB1 PRO 71 -3.435 1.114 3.998 513 HG2 PRO 71 HG2 PRO 71 -5.670 0.893 5.376 514 HG3 PRO 71 HG1 PRO 71 -5.401 -0.125 3.946 515 HD2 PRO 71 HD2 PRO 71 -5.185 -0.835 6.844 516 HD3 PRO 71 HD1 PRO 71 -5.862 -1.776 5.501 517 H ARG 72 HN ARG 72 -2.343 -0.967 7.371 518 HA ARG 72 HA ARG 72 0.049 0.420 7.486 519 HB2 ARG 72 HB2 ARG 72 0.460 -0.703 9.679 520 HB3 ARG 72 HB1 ARG 72 -1.107 0.067 9.524 521 HG2 ARG 72 HG2 ARG 72 -2.175 -2.070 9.227 522 HG3 ARG 72 HG1 ARG 72 -0.608 -2.883 9.210 523 HD2 ARG 72 HD2 ARG 72 -1.812 -3.029 11.384 524 HD3 ARG 72 HD1 ARG 72 -0.209 -2.308 11.492 525 HE ARG 72 HE ARG 72 -1.275 -0.138 11.590 526 HH11 ARG 72 HH11 ARG 72 -3.370 -2.936 12.280 527 HH12 ARG 72 HH12 ARG 72 -4.386 -2.089 13.341 528 HH21 ARG 72 HH21 ARG 72 -2.739 1.060 13.009 529 HH22 ARG 72 HH22 ARG 72 -4.035 0.229 13.749 530 H GLU 73 HN GLU 73 -0.625 -2.929 6.792 531 HA GLU 73 HA GLU 73 2.017 -3.911 7.169 532 HB2 GLU 73 HB2 GLU 73 -0.269 -5.074 5.602 533 HB3 GLU 73 HB1 GLU 73 1.165 -5.930 6.156 534 HG2 GLU 73 HG2 GLU 73 0.532 -5.587 8.443 535 HG3 GLU 73 HG1 GLU 73 -0.858 -4.627 7.939 536 H LEU 74 HN LEU 74 0.154 -2.717 4.478 537 HA LEU 74 HA LEU 74 2.064 -3.451 2.465 538 HB2 LEU 74 HB2 LEU 74 -0.469 -3.052 2.178 539 HB3 LEU 74 HB1 LEU 74 -0.111 -1.346 2.261 540 HG LEU 74 HG LEU 74 -0.515 -2.228 -0.030 541 HD11 LEU 74 HD11 LEU 74 2.257 -1.112 0.382 542 HD12 LEU 74 HD12 LEU 74 0.772 -0.175 0.208 543 HD13 LEU 74 HD13 LEU 74 1.375 -1.132 -1.145 544 HD21 LEU 74 HD21 LEU 74 1.231 -3.546 -1.142 545 HD22 LEU 74 HD22 LEU 74 0.476 -4.415 0.195 546 HD23 LEU 74 HD23 LEU 74 2.075 -3.699 0.399 547 H LEU 75 HN LEU 75 1.288 -0.561 4.326 548 HA LEU 75 HA LEU 75 3.146 1.257 3.262 549 HB2 LEU 75 HB2 LEU 75 1.332 1.794 4.880 550 HB3 LEU 75 HB1 LEU 75 2.212 0.931 6.122 551 HG LEU 75 HG LEU 75 4.059 2.622 5.863 552 HD11 LEU 75 HD11 LEU 75 2.002 4.054 4.214 553 HD12 LEU 75 HD12 LEU 75 3.536 3.398 3.641 554 HD13 LEU 75 HD13 LEU 75 3.523 4.732 4.796 555 HD21 LEU 75 HD21 LEU 75 2.457 2.752 7.680 556 HD22 LEU 75 HD22 LEU 75 1.344 3.653 6.650 557 HD23 LEU 75 HD23 LEU 75 2.892 4.363 7.110 558 H ASP 76 HN ASP 76 3.324 -1.019 5.927 559 HA ASP 76 HA ASP 76 5.951 -0.615 6.732 560 HB2 ASP 76 HB2 ASP 76 4.312 -1.746 8.112 561 HB3 ASP 76 HB1 ASP 76 4.225 -3.072 6.961 562 H LEU 77 HN LEU 77 4.639 -2.740 4.236 563 HA LEU 77 HA LEU 77 6.957 -4.251 3.747 564 HB2 LEU 77 HB2 LEU 77 4.757 -3.412 1.855 565 HB3 LEU 77 HB1 LEU 77 6.024 -4.507 1.376 566 HG LEU 77 HG LEU 77 3.921 -4.993 3.477 567 HD11 LEU 77 HD11 LEU 77 4.411 -6.227 0.773 568 HD12 LEU 77 HD12 LEU 77 3.106 -5.118 1.193 569 HD13 LEU 77 HD13 LEU 77 3.167 -6.723 1.920 570 HD21 LEU 77 HD21 LEU 77 4.856 -7.255 3.631 571 HD22 LEU 77 HD22 LEU 77 6.034 -6.041 4.135 572 HD23 LEU 77 HD23 LEU 77 6.164 -6.789 2.543 573 H ILE 78 HN ILE 78 5.967 -1.117 2.604 574 HA ILE 78 HA ILE 78 8.202 -0.763 0.827 575 HB ILE 78 HB ILE 78 6.354 1.347 1.994 576 HG12 ILE 78 HG12 ILE 78 5.046 -0.379 0.802 577 HG13 ILE 78 HG11 ILE 78 5.020 1.154 -0.055 578 HG21 ILE 78 HG21 ILE 78 8.107 1.377 -0.462 579 HG22 ILE 78 HG22 ILE 78 8.387 2.270 1.032 580 HG23 ILE 78 HG23 ILE 78 6.997 2.663 0.019 581 HD11 ILE 78 HD11 ILE 78 5.241 -0.724 -1.583 582 HD12 ILE 78 HD12 ILE 78 6.713 -1.239 -0.757 583 HD13 ILE 78 HD13 ILE 78 6.681 0.293 -1.629 584 H ASN 79 HN ASN 79 7.193 0.718 3.911 585 HA ASN 79 HA ASN 79 9.428 2.271 4.473 586 HB2 ASN 79 HB2 ASN 79 7.551 0.871 6.377 587 HB3 ASN 79 HB1 ASN 79 8.807 1.964 6.916 588 HD21 ASN 79 HD21 ASN 79 8.475 3.949 4.803 589 HD22 ASN 79 HD22 ASN 79 6.934 4.678 5.110 590 H GLY 80 HN GLY 80 8.839 -1.113 5.464 591 HA2 GLY 80 HA2 GLY 80 11.167 -1.425 6.973 592 HA3 GLY 80 HA1 GLY 80 10.218 -2.715 6.250 593 H ALA 81 HN ALA 81 10.527 -2.033 3.563 594 HA ALA 81 HA ALA 81 12.992 -3.249 2.942 595 HB1 ALA 81 HB1 ALA 81 11.167 -1.627 1.162 596 HB2 ALA 81 HB2 ALA 81 11.032 -3.358 1.467 597 HB3 ALA 81 HB3 ALA 81 12.438 -2.720 0.611 598 H LEU 82 HN LEU 82 11.873 0.072 2.707 599 HA LEU 82 HA LEU 82 14.277 1.172 1.717 600 HB2 LEU 82 HB2 LEU 82 12.009 2.466 3.212 601 HB3 LEU 82 HB1 LEU 82 13.301 3.340 2.419 602 HG LEU 82 HG LEU 82 11.358 1.531 0.978 603 HD11 LEU 82 HD11 LEU 82 10.210 3.443 1.960 604 HD12 LEU 82 HD12 LEU 82 10.305 3.591 0.206 605 HD13 LEU 82 HD13 LEU 82 11.390 4.532 1.232 606 HD21 LEU 82 HD21 LEU 82 12.223 2.663 -1.015 607 HD22 LEU 82 HD22 LEU 82 13.499 1.805 -0.150 608 HD23 LEU 82 HD23 LEU 82 13.362 3.559 -0.010 609 H ALA 83 HN ALA 83 13.074 0.672 4.998 610 HA ALA 83 HA ALA 83 15.187 2.130 6.268 611 HB1 ALA 83 HB1 ALA 83 13.016 1.786 7.359 612 HB2 ALA 83 HB2 ALA 83 14.339 1.170 8.349 613 HB3 ALA 83 HB3 ALA 83 13.330 0.051 7.430 614 H GLU 84 HN GLU 84 14.896 -0.935 4.934 615 HA GLU 84 HA GLU 84 17.031 -2.205 6.393 616 HB2 GLU 84 HB2 GLU 84 15.121 -3.432 5.421 617 HB3 GLU 84 HB1 GLU 84 15.591 -2.888 3.827 618 HG2 GLU 84 HG2 GLU 84 17.636 -4.192 3.994 619 HG3 GLU 84 HG1 GLU 84 17.147 -4.734 5.607 620 H ALA 85 HN ALA 85 16.471 -1.195 3.052 621 HA ALA 85 HA ALA 85 18.875 0.245 2.763 622 HB1 ALA 85 HB1 ALA 85 19.934 -1.207 1.049 623 HB2 ALA 85 HB2 ALA 85 18.735 -2.459 1.372 624 HB3 ALA 85 HB3 ALA 85 19.889 -1.999 2.623 625 H ALA 86 HN ALA 86 16.878 -1.890 0.804 626 HA ALA 86 HA ALA 86 14.965 -0.294 -0.167 627 HB1 ALA 86 HB1 ALA 86 15.740 0.216 -2.479 628 HB2 ALA 86 HB2 ALA 86 17.360 -0.337 -2.049 629 HB3 ALA 86 HB3 ALA 86 16.686 1.105 -1.285 630 H282 PNS 87 H28A PNS 87 -7.614 -14.043 -4.530 631 H281 PNS 87 H28B PNS 87 -7.889 -12.788 -5.744 632 H303 PNS 87 H30A PNS 87 -5.113 -12.657 -6.844 633 H302 PNS 87 H30B PNS 87 -6.598 -12.711 -7.794 634 H301 PNS 87 H30C PNS 87 -5.312 -13.875 -8.104 635 H313 PNS 87 H31A PNS 87 -4.616 -14.434 -5.196 636 H312 PNS 87 H31B PNS 87 -4.839 -15.690 -6.414 637 H311 PNS 87 H31C PNS 87 -5.770 -15.739 -4.919 638 H32 PNS 87 H32A PNS 87 -7.964 -15.841 -6.276 639 H33 PNS 87 H33A PNS 87 -7.016 -15.804 -8.819 640 H36 PNS 87 H36A PNS 87 -9.358 -13.879 -6.157 641 H372 PNS 87 H37A PNS 87 -10.173 -12.560 -8.594 642 H371 PNS 87 H37B PNS 87 -11.383 -13.601 -7.820 643 H382 PNS 87 H38A PNS 87 -11.203 -12.289 -5.767 644 H381 PNS 87 H38B PNS 87 -9.874 -11.385 -6.445 645 H41 PNS 87 H41A PNS 87 -11.369 -9.754 -5.588 646 H422 PNS 87 H42A PNS 87 -12.926 -8.562 -7.760 647 H421 PNS 87 H42B PNS 87 -13.683 -8.752 -6.179 648 H431 PNS 87 H43A PNS 87 -11.180 -7.182 -6.766 649 H432 PNS 87 H43B PNS 87 -11.886 -7.424 -5.174 650 H44 PNS 87 H1 PNS 87 -12.391 -4.827 -6.063 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 20.181 5.097 2.716 2 H2 MET 1 HT2 MET 1 18.774 4.247 2.264 3 H3 MET 1 HT3 MET 1 18.664 5.838 2.811 4 HA MET 1 HA MET 1 19.797 6.639 0.877 5 HB2 MET 1 HB2 MET 1 21.243 4.573 0.689 6 HB3 MET 1 HB1 MET 1 19.856 3.703 0.062 7 HG2 MET 1 HG2 MET 1 19.809 5.287 -1.859 8 HG3 MET 1 HG1 MET 1 21.289 6.015 -1.239 9 HE1 MET 1 HE1 MET 1 20.948 4.825 -4.220 10 HE2 MET 1 HE2 MET 1 22.507 4.018 -4.405 11 HE3 MET 1 HE3 MET 1 22.416 5.599 -3.628 12 H ALA 2 HN ALA 2 17.041 6.193 1.954 13 HA ALA 2 HA ALA 2 15.649 6.051 -0.580 14 HB1 ALA 2 HB1 ALA 2 15.643 3.762 0.263 15 HB2 ALA 2 HB2 ALA 2 14.023 4.461 0.263 16 HB3 ALA 2 HB3 ALA 2 14.924 4.321 1.772 17 H THR 3 HN THR 3 13.447 6.772 -0.398 18 HA THR 3 HA THR 3 13.080 8.768 1.729 19 HB THR 3 HB THR 3 11.677 8.478 -0.869 20 HG1 THR 3 HG1 THR 3 13.161 10.012 -1.690 21 HG21 THR 3 HG21 THR 3 12.039 10.833 0.984 22 HG22 THR 3 HG22 THR 3 10.562 9.897 0.760 23 HG23 THR 3 HG23 THR 3 11.188 10.887 -0.558 24 H LEU 4 HN LEU 4 11.917 7.755 3.318 25 HA LEU 4 HA LEU 4 10.068 5.655 2.760 26 HB2 LEU 4 HB2 LEU 4 10.279 7.258 5.312 27 HB3 LEU 4 HB1 LEU 4 9.485 5.737 5.084 28 HG LEU 4 HG LEU 4 12.462 6.121 4.846 29 HD11 LEU 4 HD11 LEU 4 11.698 6.502 7.124 30 HD12 LEU 4 HD12 LEU 4 12.567 4.974 7.003 31 HD13 LEU 4 HD13 LEU 4 10.804 4.982 7.092 32 HD21 LEU 4 HD21 LEU 4 11.601 4.255 3.526 33 HD22 LEU 4 HD22 LEU 4 10.753 3.636 4.943 34 HD23 LEU 4 HD23 LEU 4 12.517 3.676 4.918 35 H LEU 5 HN LEU 5 8.061 5.855 2.102 36 HA LEU 5 HA LEU 5 6.792 8.400 2.181 37 HB2 LEU 5 HB2 LEU 5 4.851 7.232 1.125 38 HB3 LEU 5 HB1 LEU 5 6.334 7.159 0.201 39 HG LEU 5 HG LEU 5 6.582 4.795 1.123 40 HD11 LEU 5 HD11 LEU 5 4.529 3.654 1.788 41 HD12 LEU 5 HD12 LEU 5 3.672 5.195 1.784 42 HD13 LEU 5 HD13 LEU 5 4.975 4.913 2.937 43 HD21 LEU 5 HD21 LEU 5 4.277 5.427 -0.696 44 HD22 LEU 5 HD22 LEU 5 5.070 3.856 -0.553 45 HD23 LEU 5 HD23 LEU 5 5.967 5.246 -1.163 46 H THR 6 HN THR 6 4.869 8.897 3.242 47 HA THR 6 HA THR 6 4.735 7.579 5.827 48 HB THR 6 HB THR 6 3.441 9.608 6.501 49 HG1 THR 6 HG1 THR 6 4.121 10.509 3.856 50 HG21 THR 6 HG21 THR 6 5.347 11.170 6.433 51 HG22 THR 6 HG22 THR 6 6.114 10.182 5.194 52 HG23 THR 6 HG23 THR 6 5.887 9.537 6.819 53 H THR 7 HN THR 7 2.218 8.192 6.642 54 HA THR 7 HA THR 7 0.643 6.171 5.474 55 HB THR 7 HB THR 7 -0.112 8.448 7.335 56 HG1 THR 7 HG1 THR 7 1.541 7.117 8.174 57 HG21 THR 7 HG21 THR 7 -1.951 6.990 8.042 58 HG22 THR 7 HG22 THR 7 -1.471 5.794 6.840 59 HG23 THR 7 HG23 THR 7 -2.073 7.371 6.326 60 H ASP 8 HN ASP 8 0.584 9.710 5.337 61 HA ASP 8 HA ASP 8 -1.677 9.963 3.676 62 HB2 ASP 8 HB2 ASP 8 0.631 11.858 4.128 63 HB3 ASP 8 HB1 ASP 8 -0.738 12.253 3.097 64 H ASP 9 HN ASP 9 1.731 9.678 2.912 65 HA ASP 9 HA ASP 9 1.483 10.073 0.115 66 HB2 ASP 9 HB2 ASP 9 3.540 8.349 1.522 67 HB3 ASP 9 HB1 ASP 9 3.627 8.882 -0.146 68 H LEU 10 HN LEU 10 1.357 7.180 2.127 69 HA LEU 10 HA LEU 10 1.126 5.258 0.107 70 HB2 LEU 10 HB2 LEU 10 1.582 4.713 2.457 71 HB3 LEU 10 HB1 LEU 10 -0.040 5.216 2.893 72 HG LEU 10 HG LEU 10 -0.908 3.388 1.404 73 HD11 LEU 10 HD11 LEU 10 1.040 3.071 0.014 74 HD12 LEU 10 HD12 LEU 10 0.595 1.567 0.817 75 HD13 LEU 10 HD13 LEU 10 1.967 2.509 1.408 76 HD21 LEU 10 HD21 LEU 10 -0.471 1.610 3.031 77 HD22 LEU 10 HD22 LEU 10 -0.850 3.141 3.815 78 HD23 LEU 10 HD23 LEU 10 0.822 2.581 3.737 79 H ARG 11 HN ARG 11 -1.351 7.074 1.857 80 HA ARG 11 HA ARG 11 -3.677 5.906 0.841 81 HB2 ARG 11 HB2 ARG 11 -3.631 7.584 2.657 82 HB3 ARG 11 HB1 ARG 11 -3.206 8.823 1.492 83 HG2 ARG 11 HG2 ARG 11 -5.382 8.384 0.340 84 HG3 ARG 11 HG1 ARG 11 -5.802 7.305 1.675 85 HD2 ARG 11 HD2 ARG 11 -5.155 10.246 1.894 86 HD3 ARG 11 HD1 ARG 11 -6.761 9.529 2.001 87 HE ARG 11 HE ARG 11 -6.057 8.434 4.011 88 HH11 ARG 11 HH11 ARG 11 -4.192 11.265 2.940 89 HH12 ARG 11 HH12 ARG 11 -3.513 11.618 4.451 90 HH21 ARG 11 HH21 ARG 11 -5.123 8.932 6.184 91 HH22 ARG 11 HH22 ARG 11 -4.016 10.206 6.358 92 H ARG 12 HN ARG 12 -1.915 8.708 -0.358 93 HA ARG 12 HA ARG 12 -3.541 9.234 -2.598 94 HB2 ARG 12 HB2 ARG 12 -0.647 9.962 -2.118 95 HB3 ARG 12 HB1 ARG 12 -1.715 10.717 -3.295 96 HG2 ARG 12 HG2 ARG 12 -3.113 11.599 -1.557 97 HG3 ARG 12 HG1 ARG 12 -2.218 10.705 -0.329 98 HD2 ARG 12 HD2 ARG 12 -0.203 12.015 -0.919 99 HD3 ARG 12 HD1 ARG 12 -1.182 12.949 -2.048 100 HE ARG 12 HE ARG 12 -2.561 13.259 0.194 101 HH11 ARG 12 HH11 ARG 12 0.929 13.517 -0.363 102 HH12 ARG 12 HH12 ARG 12 1.173 14.731 0.802 103 HH21 ARG 12 HH21 ARG 12 -2.197 14.901 1.889 104 HH22 ARG 12 HH22 ARG 12 -0.640 15.548 2.092 105 H ALA 13 HN ALA 13 -0.605 7.356 -2.181 106 HA ALA 13 HA ALA 13 -0.172 6.695 -4.919 107 HB1 ALA 13 HB1 ALA 13 1.368 5.037 -4.049 108 HB2 ALA 13 HB2 ALA 13 0.696 5.233 -2.430 109 HB3 ALA 13 HB3 ALA 13 1.569 6.565 -3.188 110 H LEU 14 HN LEU 14 -2.122 5.285 -2.419 111 HA LEU 14 HA LEU 14 -2.599 2.855 -3.860 112 HB2 LEU 14 HB2 LEU 14 -2.569 2.942 -1.512 113 HB3 LEU 14 HB1 LEU 14 -3.926 4.061 -1.438 114 HG LEU 14 HG LEU 14 -5.286 2.194 -2.550 115 HD11 LEU 14 HD11 LEU 14 -4.476 -0.073 -2.246 116 HD12 LEU 14 HD12 LEU 14 -2.934 0.550 -1.664 117 HD13 LEU 14 HD13 LEU 14 -3.431 0.849 -3.329 118 HD21 LEU 14 HD21 LEU 14 -4.201 1.734 0.223 119 HD22 LEU 14 HD22 LEU 14 -5.704 1.069 -0.434 120 HD23 LEU 14 HD23 LEU 14 -5.532 2.806 -0.210 121 H VAL 15 HN VAL 15 -4.558 5.713 -3.045 122 HA VAL 15 HA VAL 15 -6.880 4.902 -4.411 123 HB VAL 15 HB VAL 15 -6.029 7.739 -3.694 124 HG11 VAL 15 HG11 VAL 15 -7.798 7.777 -5.379 125 HG12 VAL 15 HG12 VAL 15 -8.404 8.326 -3.814 126 HG13 VAL 15 HG13 VAL 15 -8.780 6.703 -4.381 127 HG21 VAL 15 HG21 VAL 15 -6.159 6.285 -1.753 128 HG22 VAL 15 HG22 VAL 15 -7.786 5.785 -2.216 129 HG23 VAL 15 HG23 VAL 15 -7.477 7.457 -1.741 130 H GLU 16 HN GLU 16 -3.984 6.308 -5.579 131 HA GLU 16 HA GLU 16 -4.824 7.424 -7.992 132 HB2 GLU 16 HB2 GLU 16 -2.589 7.755 -7.065 133 HB3 GLU 16 HB1 GLU 16 -2.217 6.058 -7.296 134 HG2 GLU 16 HG2 GLU 16 -2.326 6.333 -9.698 135 HG3 GLU 16 HG1 GLU 16 -2.799 8.016 -9.502 136 H SER 17 HN SER 17 -4.422 4.088 -7.077 137 HA SER 17 HA SER 17 -4.572 3.116 -9.805 138 HB2 SER 17 HB2 SER 17 -3.191 1.906 -8.222 139 HB3 SER 17 HB1 SER 17 -4.538 1.658 -7.132 140 HG SER 17 HG SER 17 -3.709 0.156 -9.095 141 H ALA 18 HN ALA 18 -6.681 3.727 -7.130 142 HA ALA 18 HA ALA 18 -8.808 2.035 -8.064 143 HB1 ALA 18 HB1 ALA 18 -8.505 2.467 -5.676 144 HB2 ALA 18 HB2 ALA 18 -10.099 2.982 -6.228 145 HB3 ALA 18 HB3 ALA 18 -8.831 4.178 -5.946 146 H GLY 19 HN GLY 19 -8.256 5.526 -7.839 147 HA2 GLY 19 HA2 GLY 19 -9.097 7.232 -9.123 148 HA3 GLY 19 HA1 GLY 19 -9.773 6.024 -10.216 149 H GLU 20 HN GLU 20 -11.891 5.761 -10.202 150 HA GLU 20 HA GLU 20 -13.331 6.775 -7.873 151 HB2 GLU 20 HB2 GLU 20 -15.328 6.999 -9.305 152 HB3 GLU 20 HB1 GLU 20 -13.974 7.933 -9.922 153 HG2 GLU 20 HG2 GLU 20 -13.536 6.237 -11.604 154 HG3 GLU 20 HG1 GLU 20 -14.838 5.241 -10.957 155 H THR 21 HN THR 21 -12.736 4.159 -9.762 156 HA THR 21 HA THR 21 -14.813 2.419 -8.751 157 HB THR 21 HB THR 21 -13.521 0.613 -9.928 158 HG1 THR 21 HG1 THR 21 -11.503 2.092 -9.653 159 HG21 THR 21 HG21 THR 21 -14.071 3.101 -11.548 160 HG22 THR 21 HG22 THR 21 -15.252 1.865 -11.102 161 HG23 THR 21 HG23 THR 21 -13.925 1.467 -12.195 162 H ASP 22 HN ASP 22 -14.716 2.173 -6.638 163 HA ASP 22 HA ASP 22 -14.138 1.378 -4.631 164 HB2 ASP 22 HB2 ASP 22 -11.593 0.297 -5.912 165 HB3 ASP 22 HB1 ASP 22 -12.145 -0.070 -4.283 166 H GLY 23 HN GLY 23 -13.297 3.869 -5.945 167 HA2 GLY 23 HA2 GLY 23 -10.932 4.800 -4.610 168 HA3 GLY 23 HA1 GLY 23 -12.086 5.794 -5.504 169 H THR 24 HN THR 24 -11.653 4.000 -2.638 170 HA THR 24 HA THR 24 -13.683 5.016 -1.015 171 HB THR 24 HB THR 24 -10.972 3.849 -0.342 172 HG1 THR 24 HG1 THR 24 -12.154 2.415 -1.624 173 HG21 THR 24 HG21 THR 24 -12.028 4.901 1.617 174 HG22 THR 24 HG22 THR 24 -12.025 3.145 1.771 175 HG23 THR 24 HG23 THR 24 -13.505 3.986 1.315 176 H ASP 25 HN ASP 25 -13.676 6.724 0.472 177 HA ASP 25 HA ASP 25 -12.249 9.069 0.098 178 HB2 ASP 25 HB2 ASP 25 -14.233 9.016 1.499 179 HB3 ASP 25 HB1 ASP 25 -13.425 7.966 2.662 180 H LEU 26 HN LEU 26 -11.738 6.835 2.808 181 HA LEU 26 HA LEU 26 -9.903 5.831 3.681 182 HB2 LEU 26 HB2 LEU 26 -9.564 5.559 1.129 183 HB3 LEU 26 HB1 LEU 26 -8.351 6.799 1.300 184 HG LEU 26 HG LEU 26 -7.173 5.279 2.927 185 HD11 LEU 26 HD11 LEU 26 -9.179 3.294 1.855 186 HD12 LEU 26 HD12 LEU 26 -9.090 3.887 3.515 187 HD13 LEU 26 HD13 LEU 26 -7.778 2.911 2.856 188 HD21 LEU 26 HD21 LEU 26 -6.260 3.859 1.138 189 HD22 LEU 26 HD22 LEU 26 -6.459 5.531 0.614 190 HD23 LEU 26 HD23 LEU 26 -7.617 4.309 0.103 191 H SER 27 HN SER 27 -10.390 8.943 3.866 192 HA SER 27 HA SER 27 -7.685 9.896 4.200 193 HB2 SER 27 HB2 SER 27 -9.358 11.274 3.005 194 HB3 SER 27 HB1 SER 27 -10.318 11.352 4.475 195 HG SER 27 HG SER 27 -9.129 12.895 5.144 196 H GLY 28 HN GLY 28 -9.566 8.187 6.079 197 HA2 GLY 28 HA2 GLY 28 -8.894 9.653 8.544 198 HA3 GLY 28 HA1 GLY 28 -10.108 8.385 8.424 199 H ASP 29 HN ASP 29 -9.297 7.136 10.012 200 HA ASP 29 HA ASP 29 -6.555 6.224 9.934 201 HB2 ASP 29 HB2 ASP 29 -8.902 5.472 11.692 202 HB3 ASP 29 HB1 ASP 29 -7.347 4.662 11.789 203 H PHE 30 HN PHE 30 -6.353 5.225 8.039 204 HA PHE 30 HA PHE 30 -8.228 3.067 7.456 205 HB2 PHE 30 HB2 PHE 30 -7.550 3.205 5.158 206 HB3 PHE 30 HB1 PHE 30 -7.961 4.809 5.742 207 HD1 PHE 30 HD1 PHE 30 -6.116 6.428 6.235 208 HD2 PHE 30 HD2 PHE 30 -5.412 2.727 4.263 209 HE1 PHE 30 HE1 PHE 30 -3.958 7.274 5.435 210 HE2 PHE 30 HE2 PHE 30 -3.251 3.570 3.460 211 HZ PHE 30 HZ PHE 30 -2.542 5.809 3.956 212 H LEU 31 HN LEU 31 -5.555 3.154 9.147 213 HA LEU 31 HA LEU 31 -3.975 1.225 7.710 214 HB2 LEU 31 HB2 LEU 31 -3.715 2.218 10.558 215 HB3 LEU 31 HB1 LEU 31 -2.601 1.108 9.797 216 HG LEU 31 HG LEU 31 -1.553 3.192 9.809 217 HD11 LEU 31 HD11 LEU 31 -1.225 2.020 7.761 218 HD12 LEU 31 HD12 LEU 31 -1.251 3.760 7.460 219 HD13 LEU 31 HD13 LEU 31 -2.657 2.772 7.059 220 HD21 LEU 31 HD21 LEU 31 -3.453 4.624 10.262 221 HD22 LEU 31 HD22 LEU 31 -4.046 4.402 8.618 222 HD23 LEU 31 HD23 LEU 31 -2.526 5.260 8.900 223 H ASP 32 HN ASP 32 -6.489 1.235 10.006 224 HA ASP 32 HA ASP 32 -6.201 -1.647 10.545 225 HB2 ASP 32 HB2 ASP 32 -8.092 0.378 11.773 226 HB3 ASP 32 HB1 ASP 32 -7.947 -1.308 12.254 227 H LEU 33 HN LEU 33 -7.739 0.474 8.560 228 HA LEU 33 HA LEU 33 -10.192 -0.975 8.102 229 HB2 LEU 33 HB2 LEU 33 -10.056 1.477 7.868 230 HB3 LEU 33 HB1 LEU 33 -8.824 1.299 6.643 231 HG LEU 33 HG LEU 33 -10.487 0.296 5.130 232 HD11 LEU 33 HD11 LEU 33 -11.957 -0.706 6.805 233 HD12 LEU 33 HD12 LEU 33 -12.853 0.354 5.716 234 HD13 LEU 33 HD13 LEU 33 -12.446 0.902 7.340 235 HD21 LEU 33 HD21 LEU 33 -11.767 2.343 4.736 236 HD22 LEU 33 HD22 LEU 33 -10.074 2.689 5.082 237 HD23 LEU 33 HD23 LEU 33 -11.294 2.944 6.328 238 H ARG 34 HN ARG 34 -10.192 -2.795 6.849 239 HA ARG 34 HA ARG 34 -7.673 -3.540 5.640 240 HB2 ARG 34 HB2 ARG 34 -10.246 -5.055 5.891 241 HB3 ARG 34 HB1 ARG 34 -8.706 -5.708 5.368 242 HG2 ARG 34 HG2 ARG 34 -7.746 -5.537 7.477 243 HG3 ARG 34 HG1 ARG 34 -8.987 -4.421 8.052 244 HD2 ARG 34 HD2 ARG 34 -9.448 -7.303 7.328 245 HD3 ARG 34 HD1 ARG 34 -9.233 -6.691 8.970 246 HE ARG 34 HE ARG 34 -11.336 -5.381 7.478 247 HH11 ARG 34 HH11 ARG 34 -10.569 -7.856 9.868 248 HH12 ARG 34 HH12 ARG 34 -12.196 -8.191 10.243 249 HH21 ARG 34 HH21 ARG 34 -13.521 -5.734 8.011 250 HH22 ARG 34 HH22 ARG 34 -13.938 -6.954 9.140 251 H PHE 35 HN PHE 35 -7.699 -4.567 3.576 252 HA PHE 35 HA PHE 35 -8.850 -2.859 1.640 253 HB2 PHE 35 HB2 PHE 35 -7.333 -5.445 1.344 254 HB3 PHE 35 HB1 PHE 35 -7.766 -4.374 0.012 255 HD1 PHE 35 HD2 PHE 35 -7.021 -1.882 0.328 256 HD2 PHE 35 HD1 PHE 35 -5.285 -5.191 2.342 257 HE1 PHE 35 HE2 PHE 35 -4.993 -0.561 0.736 258 HE2 PHE 35 HE1 PHE 35 -3.249 -3.875 2.752 259 HZ PHE 35 HZ PHE 35 -3.087 -1.575 1.907 260 H GLU 36 HN GLU 36 -9.587 -5.999 2.867 261 HA GLU 36 HA GLU 36 -11.564 -6.837 1.079 262 HB2 GLU 36 HB2 GLU 36 -10.445 -7.871 3.303 263 HB3 GLU 36 HB1 GLU 36 -11.938 -7.289 4.009 264 HG2 GLU 36 HG2 GLU 36 -11.708 -9.246 1.733 265 HG3 GLU 36 HG1 GLU 36 -12.020 -9.658 3.414 266 H ASP 37 HN ASP 37 -11.637 -4.610 3.809 267 HA ASP 37 HA ASP 37 -14.476 -4.213 3.889 268 HB2 ASP 37 HB2 ASP 37 -12.297 -2.405 4.978 269 HB3 ASP 37 HB1 ASP 37 -14.002 -2.255 5.328 270 H ILE 38 HN ILE 38 -11.823 -2.748 2.145 271 HA ILE 38 HA ILE 38 -13.646 -0.673 1.180 272 HB ILE 38 HB ILE 38 -11.672 0.577 0.375 273 HG12 ILE 38 HG12 ILE 38 -10.077 -1.539 1.850 274 HG13 ILE 38 HG11 ILE 38 -10.126 -1.352 0.105 275 HG21 ILE 38 HG21 ILE 38 -11.663 -0.151 3.290 276 HG22 ILE 38 HG22 ILE 38 -12.661 1.076 2.510 277 HG23 ILE 38 HG23 ILE 38 -10.909 1.284 2.591 278 HD11 ILE 38 HD11 ILE 38 -9.087 0.853 0.316 279 HD12 ILE 38 HD12 ILE 38 -8.089 -0.408 1.057 280 HD13 ILE 38 HD13 ILE 38 -9.054 0.665 2.068 281 H GLY 39 HN GLY 39 -13.362 -3.471 0.189 282 HA2 GLY 39 HA2 GLY 39 -13.759 -4.499 -1.836 283 HA3 GLY 39 HA1 GLY 39 -14.047 -2.897 -2.485 284 H TYR 40 HN TYR 40 -10.979 -3.917 -1.099 285 HA TYR 40 HA TYR 40 -9.763 -3.510 -3.722 286 HB2 TYR 40 HB2 TYR 40 -9.004 -2.848 -1.005 287 HB3 TYR 40 HB1 TYR 40 -7.750 -3.734 -1.862 288 HD1 TYR 40 HD1 TYR 40 -9.903 -0.762 -2.002 289 HD2 TYR 40 HD2 TYR 40 -6.385 -2.642 -3.460 290 HE1 TYR 40 HE1 TYR 40 -9.281 1.319 -3.105 291 HE2 TYR 40 HE2 TYR 40 -5.729 -0.552 -4.579 292 HH TYR 40 HH TYR 40 -7.278 2.415 -3.952 293 H ASP 41 HN ASP 41 -9.133 -5.180 -4.774 294 HA ASP 41 HA ASP 41 -9.010 -7.810 -3.606 295 HB2 ASP 41 HB2 ASP 41 -8.516 -6.788 -6.398 296 HB3 ASP 41 HB1 ASP 41 -8.218 -8.457 -5.945 297 H SER 42 HN SER 42 -7.197 -9.209 -3.723 298 HA SER 42 HA SER 42 -4.836 -8.223 -2.675 299 HB2 SER 42 HB2 SER 42 -5.232 -10.797 -4.191 300 HB3 SER 42 HB1 SER 42 -4.082 -10.472 -2.879 301 H LEU 43 HN LEU 43 -5.804 -8.936 -5.963 302 HA LEU 43 HA LEU 43 -3.255 -8.715 -7.162 303 HB2 LEU 43 HB2 LEU 43 -6.015 -8.393 -8.352 304 HB3 LEU 43 HB1 LEU 43 -4.559 -8.284 -9.310 305 HG LEU 43 HG LEU 43 -5.456 -10.433 -9.658 306 HD11 LEU 43 HD11 LEU 43 -3.164 -10.672 -7.741 307 HD12 LEU 43 HD12 LEU 43 -3.076 -10.413 -9.485 308 HD13 LEU 43 HD13 LEU 43 -3.713 -11.928 -8.850 309 HD21 LEU 43 HD21 LEU 43 -5.930 -12.043 -7.867 310 HD22 LEU 43 HD22 LEU 43 -6.936 -10.605 -7.731 311 HD23 LEU 43 HD23 LEU 43 -5.547 -10.811 -6.662 312 H ALA 44 HN ALA 44 -5.707 -6.387 -6.332 313 HA ALA 44 HA ALA 44 -4.580 -4.207 -7.750 314 HB1 ALA 44 HB1 ALA 44 -6.927 -4.220 -7.033 315 HB2 ALA 44 HB2 ALA 44 -6.072 -2.825 -6.381 316 HB3 ALA 44 HB3 ALA 44 -6.412 -4.214 -5.347 317 H LEU 45 HN LEU 45 -4.072 -5.678 -4.646 318 HA LEU 45 HA LEU 45 -2.558 -3.561 -3.521 319 HB2 LEU 45 HB2 LEU 45 -2.466 -6.490 -2.858 320 HB3 LEU 45 HB1 LEU 45 -1.873 -5.180 -1.856 321 HG LEU 45 HG LEU 45 -4.736 -5.757 -2.553 322 HD11 LEU 45 HD11 LEU 45 -4.951 -6.145 -0.154 323 HD12 LEU 45 HD12 LEU 45 -3.219 -5.861 0.036 324 HD13 LEU 45 HD13 LEU 45 -3.789 -7.248 -0.895 325 HD21 LEU 45 HD21 LEU 45 -4.339 -3.362 -2.496 326 HD22 LEU 45 HD22 LEU 45 -3.542 -3.524 -0.929 327 HD23 LEU 45 HD23 LEU 45 -5.262 -3.875 -1.082 328 H MET 46 HN MET 46 -1.774 -6.558 -5.181 329 HA MET 46 HA MET 46 1.036 -6.366 -5.098 330 HB2 MET 46 HB2 MET 46 -0.725 -7.629 -7.206 331 HB3 MET 46 HB1 MET 46 1.006 -7.886 -7.066 332 HG2 MET 46 HG2 MET 46 0.701 -8.956 -4.908 333 HG3 MET 46 HG1 MET 46 -1.024 -8.611 -4.969 334 HE1 MET 46 HE1 MET 46 -0.960 -12.496 -5.503 335 HE2 MET 46 HE2 MET 46 -1.644 -11.171 -4.563 336 HE3 MET 46 HE3 MET 46 0.077 -11.539 -4.445 337 H GLU 47 HN GLU 47 -1.318 -5.283 -7.493 338 HA GLU 47 HA GLU 47 0.411 -4.116 -9.341 339 HB2 GLU 47 HB2 GLU 47 -2.029 -4.657 -9.653 340 HB3 GLU 47 HB1 GLU 47 -2.425 -3.329 -8.593 341 HG2 GLU 47 HG2 GLU 47 -1.006 -2.980 -11.227 342 HG3 GLU 47 HG1 GLU 47 -2.753 -2.924 -11.036 343 H THR 48 HN THR 48 -1.172 -2.776 -6.474 344 HA THR 48 HA THR 48 -0.226 -0.156 -6.656 345 HB THR 48 HB THR 48 -1.077 -1.829 -4.296 346 HG1 THR 48 HG1 THR 48 -2.759 -1.411 -5.592 347 HG21 THR 48 HG21 THR 48 -1.282 0.280 -3.016 348 HG22 THR 48 HG22 THR 48 -0.558 1.164 -4.356 349 HG23 THR 48 HG23 THR 48 0.398 -0.025 -3.465 350 H ALA 49 HN ALA 49 1.131 -2.917 -4.821 351 HA ALA 49 HA ALA 49 3.355 -1.485 -3.902 352 HB1 ALA 49 HB1 ALA 49 2.643 -3.585 -2.866 353 HB2 ALA 49 HB2 ALA 49 4.338 -3.643 -3.336 354 HB3 ALA 49 HB3 ALA 49 3.122 -4.467 -4.318 355 H ALA 50 HN ALA 50 2.804 -3.210 -6.911 356 HA ALA 50 HA ALA 50 5.438 -3.175 -7.887 357 HB1 ALA 50 HB1 ALA 50 3.635 -4.486 -8.930 358 HB2 ALA 50 HB2 ALA 50 4.425 -3.437 -10.108 359 HB3 ALA 50 HB3 ALA 50 2.853 -2.993 -9.446 360 H ARG 51 HN ARG 51 2.784 -0.787 -8.230 361 HA ARG 51 HA ARG 51 4.108 1.130 -9.694 362 HB2 ARG 51 HB2 ARG 51 1.710 1.058 -9.336 363 HB3 ARG 51 HB1 ARG 51 1.909 1.325 -7.619 364 HG2 ARG 51 HG2 ARG 51 2.762 3.562 -8.068 365 HG3 ARG 51 HG1 ARG 51 2.672 3.151 -9.795 366 HD2 ARG 51 HD2 ARG 51 0.745 4.565 -9.017 367 HD3 ARG 51 HD1 ARG 51 0.251 3.032 -9.711 368 HE ARG 51 HE ARG 51 0.083 3.857 -6.912 369 HH11 ARG 51 HH11 ARG 51 -0.415 1.318 -9.314 370 HH12 ARG 51 HH12 ARG 51 -1.542 0.421 -8.466 371 HH21 ARG 51 HH21 ARG 51 -1.500 2.733 -5.688 372 HH22 ARG 51 HH22 ARG 51 -2.160 1.229 -6.196 373 H LEU 52 HN LEU 52 4.113 0.371 -6.307 374 HA LEU 52 HA LEU 52 5.499 2.725 -5.508 375 HB2 LEU 52 HB2 LEU 52 5.050 0.130 -4.045 376 HB3 LEU 52 HB1 LEU 52 5.674 1.605 -3.321 377 HG LEU 52 HG LEU 52 2.921 1.280 -4.520 378 HD11 LEU 52 HD11 LEU 52 3.779 1.435 -1.648 379 HD12 LEU 52 HD12 LEU 52 3.128 0.020 -2.475 380 HD13 LEU 52 HD13 LEU 52 2.113 1.442 -2.227 381 HD21 LEU 52 HD21 LEU 52 3.741 3.560 -4.725 382 HD22 LEU 52 HD22 LEU 52 4.148 3.581 -3.010 383 HD23 LEU 52 HD23 LEU 52 2.464 3.463 -3.515 384 H GLU 53 HN GLU 53 6.451 -0.609 -6.267 385 HA GLU 53 HA GLU 53 9.123 -0.604 -5.504 386 HB2 GLU 53 HB2 GLU 53 7.964 -1.839 -8.011 387 HB3 GLU 53 HB1 GLU 53 9.561 -2.160 -7.389 388 HG2 GLU 53 HG2 GLU 53 8.493 -3.141 -5.373 389 HG3 GLU 53 HG1 GLU 53 6.929 -2.930 -6.180 390 H SER 54 HN SER 54 7.724 0.215 -8.614 391 HA SER 54 HA SER 54 10.136 0.874 -9.862 392 HB2 SER 54 HB2 SER 54 8.512 1.851 -11.597 393 HB3 SER 54 HB1 SER 54 8.426 0.123 -11.256 394 HG SER 54 HG SER 54 6.526 0.370 -10.333 395 H ARG 55 HN ARG 55 7.606 2.889 -8.449 396 HA ARG 55 HA ARG 55 8.808 5.307 -9.338 397 HB2 ARG 55 HB2 ARG 55 6.398 5.066 -8.999 398 HB3 ARG 55 HB1 ARG 55 6.660 4.865 -7.279 399 HG2 ARG 55 HG2 ARG 55 7.324 7.119 -7.022 400 HG3 ARG 55 HG1 ARG 55 7.447 7.352 -8.772 401 HD2 ARG 55 HD2 ARG 55 4.920 6.771 -7.230 402 HD3 ARG 55 HD1 ARG 55 5.384 8.332 -7.921 403 HE ARG 55 HE ARG 55 5.509 6.644 -10.029 404 HH11 ARG 55 HH11 ARG 55 2.922 7.494 -7.789 405 HH12 ARG 55 HH12 ARG 55 1.676 7.070 -8.864 406 HH21 ARG 55 HH21 ARG 55 3.809 6.080 -11.505 407 HH22 ARG 55 HH22 ARG 55 2.191 6.264 -11.040 408 H TYR 56 HN TYR 56 8.924 3.562 -6.252 409 HA TYR 56 HA TYR 56 10.440 5.792 -5.150 410 HB2 TYR 56 HB2 TYR 56 9.216 3.393 -3.789 411 HB3 TYR 56 HB1 TYR 56 10.185 4.612 -2.961 412 HD1 TYR 56 HD2 TYR 56 7.044 4.034 -4.808 413 HD2 TYR 56 HD1 TYR 56 9.252 6.734 -2.375 414 HE1 TYR 56 HE2 TYR 56 5.041 5.415 -4.539 415 HE2 TYR 56 HE1 TYR 56 7.242 8.129 -2.097 416 HH TYR 56 HH TYR 56 4.149 7.009 -3.057 417 H GLY 57 HN GLY 57 11.139 3.089 -6.802 418 HA2 GLY 57 HA2 GLY 57 13.169 2.139 -7.299 419 HA3 GLY 57 HA1 GLY 57 13.923 3.335 -6.254 420 H VAL 58 HN VAL 58 11.843 0.499 -5.983 421 HA VAL 58 HA VAL 58 13.693 -0.783 -4.197 422 HB VAL 58 HB VAL 58 12.243 0.710 -2.743 423 HG11 VAL 58 HG11 VAL 58 10.189 0.682 -3.921 424 HG12 VAL 58 HG12 VAL 58 9.920 0.093 -2.280 425 HG13 VAL 58 HG13 VAL 58 9.985 -1.045 -3.623 426 HG21 VAL 58 HG21 VAL 58 11.743 -0.918 -1.009 427 HG22 VAL 58 HG22 VAL 58 13.291 -1.299 -1.767 428 HG23 VAL 58 HG23 VAL 58 11.847 -2.230 -2.171 429 H SER 59 HN SER 59 12.623 -3.109 -3.678 430 HA SER 59 HA SER 59 10.617 -3.767 -5.654 431 HB2 SER 59 HB2 SER 59 12.964 -4.351 -6.491 432 HB3 SER 59 HB1 SER 59 13.053 -5.496 -5.156 433 HG SER 59 HG SER 59 10.781 -5.614 -6.727 434 H ILE 60 HN ILE 60 9.153 -5.215 -4.887 435 HA ILE 60 HA ILE 60 9.555 -6.402 -2.232 436 HB ILE 60 HB ILE 60 7.130 -4.750 -3.048 437 HG12 ILE 60 HG12 ILE 60 9.144 -4.300 -0.831 438 HG13 ILE 60 HG11 ILE 60 9.043 -3.386 -2.334 439 HG21 ILE 60 HG21 ILE 60 6.413 -6.700 -1.782 440 HG22 ILE 60 HG22 ILE 60 6.214 -5.236 -0.817 441 HG23 ILE 60 HG23 ILE 60 7.572 -6.318 -0.506 442 HD11 ILE 60 HD11 ILE 60 8.076 -2.173 -0.476 443 HD12 ILE 60 HD12 ILE 60 6.939 -3.493 -0.193 444 HD13 ILE 60 HD13 ILE 60 6.859 -2.561 -1.687 445 HA PRO 61 HA PRO 61 7.962 -9.943 -4.461 446 HB2 PRO 61 HB2 PRO 61 7.115 -10.712 -1.703 447 HB3 PRO 61 HB1 PRO 61 8.000 -11.655 -2.909 448 HG2 PRO 61 HG2 PRO 61 9.289 -10.610 -0.848 449 HG3 PRO 61 HG1 PRO 61 10.013 -10.578 -2.469 450 HD2 PRO 61 HD2 PRO 61 8.685 -8.380 -0.939 451 HD3 PRO 61 HD1 PRO 61 10.117 -8.317 -1.987 452 H ASP 62 HN ASP 62 6.125 -10.069 -5.476 453 HA ASP 62 HA ASP 62 3.941 -8.390 -4.923 454 HB2 ASP 62 HB2 ASP 62 2.848 -9.445 -6.847 455 HB3 ASP 62 HB1 ASP 62 4.516 -9.008 -7.202 456 H ASP 63 HN ASP 63 4.461 -11.812 -4.248 457 HA ASP 63 HA ASP 63 1.707 -12.353 -3.772 458 HB2 ASP 63 HB2 ASP 63 3.411 -14.113 -4.283 459 HB3 ASP 63 HB1 ASP 63 4.076 -13.877 -2.668 460 H VAL 64 HN VAL 64 4.192 -11.016 -1.932 461 HA VAL 64 HA VAL 64 3.062 -11.223 0.708 462 HB VAL 64 HB VAL 64 5.001 -9.336 -0.550 463 HG11 VAL 64 HG11 VAL 64 5.789 -8.900 1.805 464 HG12 VAL 64 HG12 VAL 64 4.476 -9.924 2.391 465 HG13 VAL 64 HG13 VAL 64 4.110 -8.416 1.555 466 HG21 VAL 64 HG21 VAL 64 6.765 -10.726 0.521 467 HG22 VAL 64 HG22 VAL 64 5.813 -11.596 -0.681 468 HG23 VAL 64 HG23 VAL 64 5.510 -11.849 1.038 469 H ALA 65 HN ALA 65 3.188 -8.753 -1.808 470 HA ALA 65 HA ALA 65 1.676 -6.785 -0.524 471 HB1 ALA 65 HB1 ALA 65 1.787 -7.425 -3.472 472 HB2 ALA 65 HB2 ALA 65 2.898 -6.365 -2.601 473 HB3 ALA 65 HB3 ALA 65 1.201 -5.917 -2.772 474 H GLY 66 HN GLY 66 0.718 -9.523 -2.508 475 HA2 GLY 66 HA2 GLY 66 -2.107 -9.030 -2.017 476 HA3 GLY 66 HA1 GLY 66 -1.428 -10.370 -2.938 477 H ARG 67 HN ARG 67 -1.010 -9.188 0.319 478 HA ARG 67 HA ARG 67 -2.230 -11.545 1.490 479 HB2 ARG 67 HB2 ARG 67 0.087 -12.280 1.155 480 HB3 ARG 67 HB1 ARG 67 0.672 -10.857 2.003 481 HG2 ARG 67 HG2 ARG 67 -0.417 -11.656 4.055 482 HG3 ARG 67 HG1 ARG 67 -0.955 -13.096 3.191 483 HD2 ARG 67 HD2 ARG 67 1.365 -13.701 2.744 484 HD3 ARG 67 HD1 ARG 67 1.909 -12.252 3.588 485 HE ARG 67 HE ARG 67 0.256 -13.745 5.285 486 HH11 ARG 67 HH11 ARG 67 3.525 -13.843 3.907 487 HH12 ARG 67 HH12 ARG 67 4.132 -14.913 5.078 488 HH21 ARG 67 HH21 ARG 67 1.094 -15.048 6.927 489 HH22 ARG 67 HH22 ARG 67 2.746 -15.545 6.926 490 H VAL 68 HN VAL 68 -0.569 -8.472 1.877 491 HA VAL 68 HA VAL 68 -1.120 -8.011 4.555 492 HB VAL 68 HB VAL 68 -0.701 -5.617 4.076 493 HG11 VAL 68 HG11 VAL 68 1.562 -5.873 3.185 494 HG12 VAL 68 HG12 VAL 68 1.160 -7.506 2.652 495 HG13 VAL 68 HG13 VAL 68 1.168 -7.118 4.372 496 HG21 VAL 68 HG21 VAL 68 -0.160 -4.871 1.790 497 HG22 VAL 68 HG22 VAL 68 -1.835 -5.408 1.902 498 HG23 VAL 68 HG23 VAL 68 -0.622 -6.455 1.167 499 H ASP 69 HN ASP 69 -2.981 -7.979 5.532 500 HA ASP 69 HA ASP 69 -5.491 -7.587 4.191 501 HB2 ASP 69 HB2 ASP 69 -4.864 -7.757 7.141 502 HB3 ASP 69 HB1 ASP 69 -6.487 -7.696 6.471 503 H THR 70 HN THR 70 -3.535 -5.787 6.416 504 HA THR 70 HA THR 70 -5.328 -3.511 6.067 505 HB THR 70 HB THR 70 -4.268 -2.642 8.185 506 HG1 THR 70 HG1 THR 70 -3.053 -5.214 8.093 507 HG21 THR 70 HG21 THR 70 -5.710 -5.287 8.383 508 HG22 THR 70 HG22 THR 70 -6.464 -3.704 8.218 509 HG23 THR 70 HG23 THR 70 -5.559 -4.100 9.681 510 HA PRO 71 HA PRO 71 -2.223 -1.292 3.818 511 HB2 PRO 71 HB2 PRO 71 -3.227 1.074 5.314 512 HB3 PRO 71 HB1 PRO 71 -3.078 0.827 3.565 513 HG2 PRO 71 HG2 PRO 71 -5.454 0.727 4.699 514 HG3 PRO 71 HG1 PRO 71 -5.016 -0.471 3.464 515 HD2 PRO 71 HD2 PRO 71 -5.038 -0.756 6.449 516 HD3 PRO 71 HD1 PRO 71 -5.654 -1.873 5.211 517 H ARG 72 HN ARG 72 -2.438 -1.206 7.262 518 HA ARG 72 HA ARG 72 -0.156 0.351 7.870 519 HB2 ARG 72 HB2 ARG 72 -1.942 -0.545 9.514 520 HB3 ARG 72 HB1 ARG 72 -1.064 -2.070 9.458 521 HG2 ARG 72 HG2 ARG 72 0.986 -0.697 10.127 522 HG3 ARG 72 HG1 ARG 72 -0.157 0.574 10.532 523 HD2 ARG 72 HD2 ARG 72 -0.081 -2.208 11.687 524 HD3 ARG 72 HD1 ARG 72 0.468 -0.748 12.482 525 HE ARG 72 HE ARG 72 -2.288 -0.569 11.776 526 HH11 ARG 72 HH11 ARG 72 -0.030 -1.883 14.170 527 HH12 ARG 72 HH12 ARG 72 -1.211 -2.177 15.355 528 HH21 ARG 72 HH21 ARG 72 -3.979 -0.936 13.520 529 HH22 ARG 72 HH22 ARG 72 -3.432 -1.559 14.981 530 H GLU 73 HN GLU 73 -0.678 -3.008 7.025 531 HA GLU 73 HA GLU 73 1.973 -3.964 7.415 532 HB2 GLU 73 HB2 GLU 73 -0.279 -5.038 5.715 533 HB3 GLU 73 HB1 GLU 73 1.167 -5.916 6.169 534 HG2 GLU 73 HG2 GLU 73 0.508 -5.981 8.447 535 HG3 GLU 73 HG1 GLU 73 -0.819 -4.855 8.151 536 H LEU 74 HN LEU 74 0.154 -2.646 4.720 537 HA LEU 74 HA LEU 74 2.040 -3.209 2.622 538 HB2 LEU 74 HB2 LEU 74 -0.534 -2.463 2.601 539 HB3 LEU 74 HB1 LEU 74 0.165 -0.864 2.522 540 HG LEU 74 HG LEU 74 0.481 -3.073 0.472 541 HD11 LEU 74 HD11 LEU 74 -0.779 -1.598 -0.987 542 HD12 LEU 74 HD12 LEU 74 -0.997 -0.474 0.354 543 HD13 LEU 74 HD13 LEU 74 -1.695 -2.091 0.438 544 HD21 LEU 74 HD21 LEU 74 1.567 -0.251 0.392 545 HD22 LEU 74 HD22 LEU 74 1.634 -1.420 -0.925 546 HD23 LEU 74 HD23 LEU 74 2.531 -1.719 0.563 547 H LEU 75 HN LEU 75 1.374 -0.402 4.697 548 HA LEU 75 HA LEU 75 3.324 1.375 3.749 549 HB2 LEU 75 HB2 LEU 75 1.502 1.928 5.344 550 HB3 LEU 75 HB1 LEU 75 2.313 0.993 6.578 551 HG LEU 75 HG LEU 75 4.242 2.613 6.435 552 HD11 LEU 75 HD11 LEU 75 3.860 4.752 5.381 553 HD12 LEU 75 HD12 LEU 75 2.331 4.162 4.730 554 HD13 LEU 75 HD13 LEU 75 3.850 3.433 4.209 555 HD21 LEU 75 HD21 LEU 75 2.548 2.778 8.188 556 HD22 LEU 75 HD22 LEU 75 1.544 3.764 7.124 557 HD23 LEU 75 HD23 LEU 75 3.103 4.372 7.678 558 H ASP 76 HN ASP 76 3.388 -1.072 6.264 559 HA ASP 76 HA ASP 76 6.011 -0.815 7.148 560 HB2 ASP 76 HB2 ASP 76 4.452 -2.105 8.417 561 HB3 ASP 76 HB1 ASP 76 4.186 -3.214 7.078 562 H LEU 77 HN LEU 77 4.698 -2.736 4.493 563 HA LEU 77 HA LEU 77 7.009 -4.133 3.780 564 HB2 LEU 77 HB2 LEU 77 4.865 -3.051 1.949 565 HB3 LEU 77 HB1 LEU 77 6.093 -4.194 1.469 566 HG LEU 77 HG LEU 77 3.879 -4.667 3.454 567 HD11 LEU 77 HD11 LEU 77 3.087 -6.264 1.776 568 HD12 LEU 77 HD12 LEU 77 4.397 -5.783 0.700 569 HD13 LEU 77 HD13 LEU 77 3.142 -4.623 1.134 570 HD21 LEU 77 HD21 LEU 77 6.057 -6.523 2.497 571 HD22 LEU 77 HD22 LEU 77 4.693 -6.974 3.523 572 HD23 LEU 77 HD23 LEU 77 5.911 -5.846 4.119 573 H ILE 78 HN ILE 78 5.825 -1.029 2.627 574 HA ILE 78 HA ILE 78 7.995 -0.461 0.942 575 HB ILE 78 HB ILE 78 6.078 1.418 2.345 576 HG12 ILE 78 HG12 ILE 78 5.033 -0.149 0.761 577 HG13 ILE 78 HG11 ILE 78 4.945 1.510 0.182 578 HG21 ILE 78 HG21 ILE 78 8.064 2.660 1.769 579 HG22 ILE 78 HG22 ILE 78 6.771 3.072 0.628 580 HG23 ILE 78 HG23 ILE 78 8.056 1.975 0.144 581 HD11 ILE 78 HD11 ILE 78 6.826 1.076 -1.330 582 HD12 ILE 78 HD12 ILE 78 5.482 -0.016 -1.629 583 HD13 ILE 78 HD13 ILE 78 6.901 -0.586 -0.752 584 H ASN 79 HN ASN 79 7.315 0.807 4.204 585 HA ASN 79 HA ASN 79 9.691 2.272 4.475 586 HB2 ASN 79 HB2 ASN 79 8.035 1.004 6.670 587 HB3 ASN 79 HB1 ASN 79 9.281 2.214 6.925 588 HD21 ASN 79 HD21 ASN 79 8.503 3.909 4.603 589 HD22 ASN 79 HD22 ASN 79 6.975 4.568 5.056 590 H GLY 80 HN GLY 80 8.975 -1.060 5.435 591 HA2 GLY 80 HA2 GLY 80 11.469 -1.585 6.641 592 HA3 GLY 80 HA1 GLY 80 10.314 -2.779 6.070 593 H ALA 81 HN ALA 81 10.257 -2.219 3.340 594 HA ALA 81 HA ALA 81 12.598 -3.561 2.506 595 HB1 ALA 81 HB1 ALA 81 10.525 -2.172 0.814 596 HB2 ALA 81 HB2 ALA 81 10.437 -3.838 1.386 597 HB3 ALA 81 HB3 ALA 81 11.705 -3.361 0.259 598 H LEU 82 HN LEU 82 11.589 -0.189 2.378 599 HA LEU 82 HA LEU 82 13.675 0.701 0.723 600 HB2 LEU 82 HB2 LEU 82 12.041 2.186 2.761 601 HB3 LEU 82 HB1 LEU 82 13.241 2.963 1.750 602 HG LEU 82 HG LEU 82 10.769 1.543 0.749 603 HD11 LEU 82 HD11 LEU 82 11.440 4.475 0.917 604 HD12 LEU 82 HD12 LEU 82 10.253 3.621 1.906 605 HD13 LEU 82 HD13 LEU 82 10.003 3.782 0.167 606 HD21 LEU 82 HD21 LEU 82 12.626 1.417 -0.829 607 HD22 LEU 82 HD22 LEU 82 12.853 3.161 -0.714 608 HD23 LEU 82 HD23 LEU 82 11.371 2.508 -1.416 609 H ALA 83 HN ALA 83 13.733 -0.243 3.987 610 HA ALA 83 HA ALA 83 16.079 1.197 4.734 611 HB1 ALA 83 HB1 ALA 83 14.892 -1.318 5.920 612 HB2 ALA 83 HB2 ALA 83 14.512 0.337 6.405 613 HB3 ALA 83 HB3 ALA 83 16.128 -0.310 6.669 614 H GLU 84 HN GLU 84 15.427 -1.656 2.947 615 HA GLU 84 HA GLU 84 18.216 -2.581 3.030 616 HB2 GLU 84 HB2 GLU 84 16.379 -4.210 3.414 617 HB3 GLU 84 HB1 GLU 84 15.728 -3.825 1.835 618 HG2 GLU 84 HG2 GLU 84 17.742 -4.720 0.784 619 HG3 GLU 84 HG1 GLU 84 18.397 -5.104 2.377 620 H ALA 85 HN ALA 85 15.882 -0.956 1.163 621 HA ALA 85 HA ALA 85 16.588 -1.400 -1.448 622 HB1 ALA 85 HB1 ALA 85 15.599 1.199 -0.302 623 HB2 ALA 85 HB2 ALA 85 14.589 -0.168 -0.772 624 HB3 ALA 85 HB3 ALA 85 15.522 0.697 -1.990 625 H ALA 86 HN ALA 86 18.193 -1.050 -2.568 626 HA ALA 86 HA ALA 86 19.769 1.287 -2.603 627 HB1 ALA 86 HB1 ALA 86 21.046 -1.291 -1.628 628 HB2 ALA 86 HB2 ALA 86 20.888 0.195 -0.691 629 HB3 ALA 86 HB3 ALA 86 21.932 0.155 -2.112 630 H282 PNS 87 H28A PNS 87 -7.690 -12.397 -1.498 631 H281 PNS 87 H28B PNS 87 -6.776 -13.181 -0.213 632 H303 PNS 87 H30A PNS 87 -7.769 -13.322 2.083 633 H302 PNS 87 H30B PNS 87 -9.437 -12.815 2.348 634 H301 PNS 87 H30C PNS 87 -8.188 -11.607 2.052 635 H313 PNS 87 H31A PNS 87 -10.783 -11.886 0.437 636 H312 PNS 87 H31B PNS 87 -10.043 -11.739 -1.155 637 H311 PNS 87 H31C PNS 87 -9.526 -10.682 0.158 638 H32 PNS 87 H32A PNS 87 -9.351 -14.236 -1.138 639 H33 PNS 87 H33A PNS 87 -11.240 -13.979 -0.233 640 H36 PNS 87 H36A PNS 87 -10.035 -16.070 1.055 641 H372 PNS 87 H37A PNS 87 -7.824 -17.870 0.948 642 H371 PNS 87 H37B PNS 87 -7.942 -17.142 2.554 643 H382 PNS 87 H38A PNS 87 -10.145 -18.654 1.130 644 H381 PNS 87 H38B PNS 87 -9.093 -19.324 2.360 645 H41 PNS 87 H41A PNS 87 -11.921 -19.100 2.319 646 H422 PNS 87 H42A PNS 87 -12.725 -18.863 4.798 647 H421 PNS 87 H42B PNS 87 -12.708 -17.152 4.332 648 H431 PNS 87 H43A PNS 87 -14.272 -17.608 2.573 649 H432 PNS 87 H43B PNS 87 -14.933 -18.308 4.060 650 H44 PNS 87 H1 PNS 87 -13.368 -19.974 1.515 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 20.612 6.432 3.084 2 H2 MET 1 HT2 MET 1 21.273 7.276 4.391 3 H3 MET 1 HT3 MET 1 19.927 7.892 3.543 4 HA MET 1 HA MET 1 19.860 5.377 5.022 5 HB2 MET 1 HB2 MET 1 18.863 8.138 5.765 6 HB3 MET 1 HB1 MET 1 18.350 6.665 6.580 7 HG2 MET 1 HG2 MET 1 20.658 6.222 7.225 8 HG3 MET 1 HG1 MET 1 21.163 7.697 6.414 9 HE1 MET 1 HE1 MET 1 21.841 6.918 9.412 10 HE2 MET 1 HE2 MET 1 21.613 8.473 10.212 11 HE3 MET 1 HE3 MET 1 22.402 8.399 8.637 12 H ALA 2 HN ALA 2 17.117 5.622 5.660 13 HA ALA 2 HA ALA 2 16.109 4.938 3.034 14 HB1 ALA 2 HB1 ALA 2 14.291 3.894 4.241 15 HB2 ALA 2 HB2 ALA 2 14.902 4.551 5.758 16 HB3 ALA 2 HB3 ALA 2 15.850 3.358 4.869 17 H THR 3 HN THR 3 14.815 6.212 1.920 18 HA THR 3 HA THR 3 13.523 8.443 3.238 19 HB THR 3 HB THR 3 14.606 8.981 1.140 20 HG1 THR 3 HG1 THR 3 12.308 9.697 1.574 21 HG21 THR 3 HG21 THR 3 14.014 7.936 -1.023 22 HG22 THR 3 HG22 THR 3 12.975 6.795 -0.171 23 HG23 THR 3 HG23 THR 3 14.718 6.771 0.101 24 H LEU 4 HN LEU 4 11.699 7.876 4.262 25 HA LEU 4 HA LEU 4 10.226 5.573 3.294 26 HB2 LEU 4 HB2 LEU 4 9.880 7.123 5.856 27 HB3 LEU 4 HB1 LEU 4 9.083 5.632 5.426 28 HG LEU 4 HG LEU 4 12.044 5.950 5.918 29 HD11 LEU 4 HD11 LEU 4 10.732 6.123 7.952 30 HD12 LEU 4 HD12 LEU 4 11.619 4.597 7.910 31 HD13 LEU 4 HD13 LEU 4 9.890 4.625 7.553 32 HD21 LEU 4 HD21 LEU 4 11.584 4.233 4.247 33 HD22 LEU 4 HD22 LEU 4 10.409 3.480 5.327 34 HD23 LEU 4 HD23 LEU 4 12.119 3.506 5.761 35 H LEU 5 HN LEU 5 8.361 5.709 2.353 36 HA LEU 5 HA LEU 5 7.167 8.190 1.691 37 HB2 LEU 5 HB2 LEU 5 5.503 6.980 0.533 38 HB3 LEU 5 HB1 LEU 5 6.979 6.082 0.306 39 HG LEU 5 HG LEU 5 4.770 5.318 2.231 40 HD11 LEU 5 HD11 LEU 5 4.225 3.581 0.614 41 HD12 LEU 5 HD12 LEU 5 5.418 4.252 -0.499 42 HD13 LEU 5 HD13 LEU 5 4.002 5.199 -0.049 43 HD21 LEU 5 HD21 LEU 5 6.895 4.380 2.928 44 HD22 LEU 5 HD22 LEU 5 7.196 3.800 1.284 45 HD23 LEU 5 HD23 LEU 5 5.878 3.120 2.231 46 H THR 6 HN THR 6 5.095 8.942 2.345 47 HA THR 6 HA THR 6 4.680 8.438 5.166 48 HB THR 6 HB THR 6 3.292 10.468 5.124 49 HG1 THR 6 HG1 THR 6 3.884 10.467 2.312 50 HG21 THR 6 HG21 THR 6 5.043 12.099 4.564 51 HG22 THR 6 HG22 THR 6 5.932 10.847 3.697 52 HG23 THR 6 HG23 THR 6 5.715 10.724 5.444 53 H THR 7 HN THR 7 2.051 9.030 5.534 54 HA THR 7 HA THR 7 0.717 6.679 4.832 55 HB THR 7 HB THR 7 -0.409 9.317 5.809 56 HG1 THR 7 HG1 THR 7 -0.080 7.984 7.897 57 HG21 THR 7 HG21 THR 7 -1.322 6.454 6.203 58 HG22 THR 7 HG22 THR 7 -2.095 7.637 5.148 59 HG23 THR 7 HG23 THR 7 -2.094 7.881 6.893 60 H ASP 8 HN ASP 8 0.657 10.000 3.624 61 HA ASP 8 HA ASP 8 -1.545 9.637 1.871 62 HB2 ASP 8 HB2 ASP 8 0.571 11.785 1.830 63 HB3 ASP 8 HB1 ASP 8 -0.858 11.778 0.805 64 H ASP 9 HN ASP 9 1.842 9.083 1.483 65 HA ASP 9 HA ASP 9 1.842 9.004 -1.363 66 HB2 ASP 9 HB2 ASP 9 3.671 7.560 0.561 67 HB3 ASP 9 HB1 ASP 9 3.900 7.616 -1.180 68 H LEU 10 HN LEU 10 1.343 6.550 1.091 69 HA LEU 10 HA LEU 10 0.916 4.379 -0.691 70 HB2 LEU 10 HB2 LEU 10 1.381 4.062 1.695 71 HB3 LEU 10 HB1 LEU 10 -0.122 4.861 2.106 72 HG LEU 10 HG LEU 10 -1.326 3.020 0.901 73 HD11 LEU 10 HD11 LEU 10 0.476 2.216 -0.484 74 HD12 LEU 10 HD12 LEU 10 -0.141 0.920 0.543 75 HD13 LEU 10 HD13 LEU 10 1.381 1.718 0.945 76 HD21 LEU 10 HD21 LEU 10 0.370 2.258 3.263 77 HD22 LEU 10 HD22 LEU 10 -1.095 1.427 2.743 78 HD23 LEU 10 HD23 LEU 10 -1.181 3.091 3.322 79 H ARG 11 HN ARG 11 -1.145 6.648 0.960 80 HA ARG 11 HA ARG 11 -3.690 5.930 0.318 81 HB2 ARG 11 HB2 ARG 11 -3.151 7.716 1.808 82 HB3 ARG 11 HB1 ARG 11 -2.416 8.640 0.518 83 HG2 ARG 11 HG2 ARG 11 -4.653 8.833 -0.524 84 HG3 ARG 11 HG1 ARG 11 -5.328 8.048 0.915 85 HD2 ARG 11 HD2 ARG 11 -4.315 9.800 2.314 86 HD3 ARG 11 HD1 ARG 11 -3.727 10.600 0.859 87 HE ARG 11 HE ARG 11 -6.495 10.141 0.742 88 HH11 ARG 11 HH11 ARG 11 -4.085 12.304 2.245 89 HH12 ARG 11 HH12 ARG 11 -5.185 13.583 2.428 90 HH21 ARG 11 HH21 ARG 11 -8.004 11.948 1.032 91 HH22 ARG 11 HH22 ARG 11 -7.401 13.387 1.767 92 H ARG 12 HN ARG 12 -1.678 8.219 -1.555 93 HA ARG 12 HA ARG 12 -3.456 8.606 -3.700 94 HB2 ARG 12 HB2 ARG 12 -0.434 8.703 -3.846 95 HB3 ARG 12 HB1 ARG 12 -1.564 9.485 -4.934 96 HG2 ARG 12 HG2 ARG 12 -2.237 11.018 -3.204 97 HG3 ARG 12 HG1 ARG 12 -1.252 10.159 -2.014 98 HD2 ARG 12 HD2 ARG 12 0.695 10.615 -3.637 99 HD3 ARG 12 HD1 ARG 12 -0.369 11.827 -4.340 100 HE ARG 12 HE ARG 12 -0.434 12.880 -2.121 101 HH11 ARG 12 HH11 ARG 12 2.233 10.693 -2.947 102 HH12 ARG 12 HH12 ARG 12 3.305 11.267 -1.767 103 HH21 ARG 12 HH21 ARG 12 1.096 13.815 -0.544 104 HH22 ARG 12 HH22 ARG 12 2.639 13.157 -0.391 105 H ALA 13 HN ALA 13 -0.786 6.371 -3.232 106 HA ALA 13 HA ALA 13 -0.681 5.283 -5.810 107 HB1 ALA 13 HB1 ALA 13 0.718 3.570 -4.833 108 HB2 ALA 13 HB2 ALA 13 0.197 4.042 -3.214 109 HB3 ALA 13 HB3 ALA 13 1.145 5.156 -4.197 110 H LEU 14 HN LEU 14 -2.447 4.271 -2.953 111 HA LEU 14 HA LEU 14 -3.257 1.771 -4.002 112 HB2 LEU 14 HB2 LEU 14 -3.047 2.324 -1.671 113 HB3 LEU 14 HB1 LEU 14 -4.438 3.399 -1.752 114 HG LEU 14 HG LEU 14 -5.794 1.348 -2.421 115 HD11 LEU 14 HD11 LEU 14 -3.324 -0.072 -1.452 116 HD12 LEU 14 HD12 LEU 14 -3.943 -0.064 -3.104 117 HD13 LEU 14 HD13 LEU 14 -4.876 -0.827 -1.818 118 HD21 LEU 14 HD21 LEU 14 -5.899 2.306 -0.186 119 HD22 LEU 14 HD22 LEU 14 -4.506 1.344 0.303 120 HD23 LEU 14 HD23 LEU 14 -6.023 0.550 -0.137 121 H VAL 15 HN VAL 15 -4.916 4.893 -3.644 122 HA VAL 15 HA VAL 15 -7.335 4.084 -4.871 123 HB VAL 15 HB VAL 15 -6.147 6.884 -4.690 124 HG11 VAL 15 HG11 VAL 15 -9.001 6.044 -5.205 125 HG12 VAL 15 HG12 VAL 15 -7.911 6.783 -6.376 126 HG13 VAL 15 HG13 VAL 15 -8.441 7.701 -4.970 127 HG21 VAL 15 HG21 VAL 15 -7.604 7.159 -2.734 128 HG22 VAL 15 HG22 VAL 15 -6.423 5.867 -2.499 129 HG23 VAL 15 HG23 VAL 15 -8.099 5.470 -2.874 130 H GLU 16 HN GLU 16 -4.307 5.215 -6.104 131 HA GLU 16 HA GLU 16 -5.017 5.923 -8.739 132 HB2 GLU 16 HB2 GLU 16 -2.872 6.439 -7.488 133 HB3 GLU 16 HB1 GLU 16 -2.379 4.787 -7.801 134 HG2 GLU 16 HG2 GLU 16 -1.337 6.306 -9.352 135 HG3 GLU 16 HG1 GLU 16 -2.448 5.235 -10.201 136 H SER 17 HN SER 17 -4.505 2.860 -7.183 137 HA SER 17 HA SER 17 -4.061 1.351 -9.541 138 HB2 SER 17 HB2 SER 17 -4.871 0.490 -6.768 139 HB3 SER 17 HB1 SER 17 -4.318 -0.588 -8.059 140 HG SER 17 HG SER 17 -2.829 0.580 -6.341 141 H ALA 18 HN ALA 18 -6.860 2.687 -8.146 142 HA ALA 18 HA ALA 18 -8.615 0.829 -9.583 143 HB1 ALA 18 HB1 ALA 18 -9.199 1.315 -7.249 144 HB2 ALA 18 HB2 ALA 18 -10.421 1.956 -8.345 145 HB3 ALA 18 HB3 ALA 18 -9.237 3.040 -7.614 146 H GLY 19 HN GLY 19 -6.803 3.347 -10.280 147 HA2 GLY 19 HA2 GLY 19 -6.894 4.664 -12.208 148 HA3 GLY 19 HA1 GLY 19 -8.657 4.481 -12.222 149 H GLU 20 HN GLU 20 -9.756 6.152 -11.554 150 HA GLU 20 HA GLU 20 -8.764 7.600 -9.216 151 HB2 GLU 20 HB2 GLU 20 -8.236 8.887 -11.366 152 HB3 GLU 20 HB1 GLU 20 -9.970 9.034 -11.601 153 HG2 GLU 20 HG2 GLU 20 -10.121 10.243 -9.450 154 HG3 GLU 20 HG1 GLU 20 -8.368 10.147 -9.305 155 H THR 21 HN THR 21 -10.962 5.655 -10.344 156 HA THR 21 HA THR 21 -13.310 7.120 -9.572 157 HB THR 21 HB THR 21 -14.378 4.946 -10.462 158 HG1 THR 21 HG1 THR 21 -12.731 3.591 -10.910 159 HG21 THR 21 HG21 THR 21 -14.300 5.896 -12.734 160 HG22 THR 21 HG22 THR 21 -12.949 6.922 -12.241 161 HG23 THR 21 HG23 THR 21 -14.539 7.146 -11.511 162 H ASP 22 HN ASP 22 -12.503 7.054 -7.443 163 HA ASP 22 HA ASP 22 -12.804 6.575 -5.284 164 HB2 ASP 22 HB2 ASP 22 -15.153 6.328 -5.836 165 HB3 ASP 22 HB1 ASP 22 -14.905 4.628 -6.221 166 H GLY 23 HN GLY 23 -11.138 5.820 -4.358 167 HA2 GLY 23 HA2 GLY 23 -10.828 2.899 -4.230 168 HA3 GLY 23 HA1 GLY 23 -9.494 4.053 -4.027 169 H THR 24 HN THR 24 -12.758 4.437 -2.950 170 HA THR 24 HA THR 24 -13.751 4.883 -1.016 171 HB THR 24 HB THR 24 -11.346 3.649 0.400 172 HG1 THR 24 HG1 THR 24 -11.975 2.048 -0.851 173 HG21 THR 24 HG21 THR 24 -12.991 3.056 2.138 174 HG22 THR 24 HG22 THR 24 -14.269 3.830 1.199 175 HG23 THR 24 HG23 THR 24 -12.966 4.802 1.881 176 H ASP 25 HN ASP 25 -13.657 6.523 0.777 177 HA ASP 25 HA ASP 25 -11.689 8.544 0.249 178 HB2 ASP 25 HB2 ASP 25 -13.952 9.242 0.947 179 HB3 ASP 25 HB1 ASP 25 -13.760 8.368 2.462 180 H LEU 26 HN LEU 26 -9.803 7.865 0.662 181 HA LEU 26 HA LEU 26 -9.274 6.222 2.985 182 HB2 LEU 26 HB2 LEU 26 -8.783 5.613 0.529 183 HB3 LEU 26 HB1 LEU 26 -7.534 6.821 0.624 184 HG LEU 26 HG LEU 26 -6.534 5.517 2.522 185 HD11 LEU 26 HD11 LEU 26 -7.171 3.162 2.686 186 HD12 LEU 26 HD12 LEU 26 -8.490 3.438 1.549 187 HD13 LEU 26 HD13 LEU 26 -8.508 4.224 3.128 188 HD21 LEU 26 HD21 LEU 26 -6.772 4.169 -0.160 189 HD22 LEU 26 HD22 LEU 26 -5.470 3.936 1.009 190 HD23 LEU 26 HD23 LEU 26 -5.693 5.504 0.223 191 H SER 27 HN SER 27 -9.336 8.114 4.319 192 HA SER 27 HA SER 27 -6.772 9.511 4.285 193 HB2 SER 27 HB2 SER 27 -8.413 11.034 3.256 194 HB3 SER 27 HB1 SER 27 -9.438 10.879 4.679 195 HG SER 27 HG SER 27 -8.217 12.762 4.802 196 H GLY 28 HN GLY 28 -5.886 9.747 6.224 197 HA2 GLY 28 HA2 GLY 28 -5.951 10.193 8.547 198 HA3 GLY 28 HA1 GLY 28 -7.567 9.497 8.605 199 H ASP 29 HN ASP 29 -7.236 8.015 10.128 200 HA ASP 29 HA ASP 29 -5.008 6.220 9.816 201 HB2 ASP 29 HB2 ASP 29 -5.738 5.253 12.026 202 HB3 ASP 29 HB1 ASP 29 -5.273 6.944 12.079 203 H PHE 30 HN PHE 30 -5.769 5.486 7.896 204 HA PHE 30 HA PHE 30 -7.999 3.605 7.995 205 HB2 PHE 30 HB2 PHE 30 -7.723 3.473 5.523 206 HB3 PHE 30 HB1 PHE 30 -8.045 5.097 6.100 207 HD1 PHE 30 HD2 PHE 30 -5.358 2.852 4.834 208 HD2 PHE 30 HD1 PHE 30 -6.555 6.860 5.621 209 HE1 PHE 30 HE2 PHE 30 -3.412 3.677 3.578 210 HE2 PHE 30 HE1 PHE 30 -4.610 7.687 4.360 211 HZ PHE 30 HZ PHE 30 -3.037 6.096 3.342 212 H LEU 31 HN LEU 31 -4.996 3.420 8.927 213 HA LEU 31 HA LEU 31 -4.004 1.247 7.336 214 HB2 LEU 31 HB2 LEU 31 -2.931 2.405 9.923 215 HB3 LEU 31 HB1 LEU 31 -2.126 1.191 8.966 216 HG LEU 31 HG LEU 31 -1.006 3.211 8.570 217 HD11 LEU 31 HD11 LEU 31 -1.289 3.651 6.198 218 HD12 LEU 31 HD12 LEU 31 -2.790 2.723 6.225 219 HD13 LEU 31 HD13 LEU 31 -1.256 1.931 6.591 220 HD21 LEU 31 HD21 LEU 31 -2.075 5.291 7.789 221 HD22 LEU 31 HD22 LEU 31 -2.642 4.814 9.388 222 HD23 LEU 31 HD23 LEU 31 -3.654 4.534 7.972 223 H ASP 32 HN ASP 32 -5.893 1.628 10.156 224 HA ASP 32 HA ASP 32 -5.494 -1.065 11.211 225 HB2 ASP 32 HB2 ASP 32 -7.711 0.881 11.886 226 HB3 ASP 32 HB1 ASP 32 -7.256 -0.547 12.792 227 H LEU 33 HN LEU 33 -7.455 0.512 8.928 228 HA LEU 33 HA LEU 33 -9.750 -1.187 9.093 229 HB2 LEU 33 HB2 LEU 33 -8.877 0.697 6.900 230 HB3 LEU 33 HB1 LEU 33 -10.446 -0.066 7.016 231 HG LEU 33 HG LEU 33 -9.335 1.988 8.934 232 HD11 LEU 33 HD11 LEU 33 -9.932 2.937 6.784 233 HD12 LEU 33 HD12 LEU 33 -11.086 3.434 8.024 234 HD13 LEU 33 HD13 LEU 33 -11.521 2.178 6.868 235 HD21 LEU 33 HD21 LEU 33 -12.043 0.652 8.859 236 HD22 LEU 33 HD22 LEU 33 -11.571 1.972 9.935 237 HD23 LEU 33 HD23 LEU 33 -10.793 0.399 10.079 238 H ARG 34 HN ARG 34 -10.291 -2.796 7.669 239 HA ARG 34 HA ARG 34 -7.942 -4.112 6.532 240 HB2 ARG 34 HB2 ARG 34 -10.777 -5.112 6.789 241 HB3 ARG 34 HB1 ARG 34 -9.419 -6.053 6.199 242 HG2 ARG 34 HG2 ARG 34 -8.336 -5.764 8.417 243 HG3 ARG 34 HG1 ARG 34 -9.819 -4.984 8.981 244 HD2 ARG 34 HD2 ARG 34 -9.816 -7.343 9.580 245 HD3 ARG 34 HD1 ARG 34 -11.084 -7.007 8.395 246 HE ARG 34 HE ARG 34 -8.468 -7.998 7.554 247 HH11 ARG 34 HH11 ARG 34 -11.946 -8.607 7.872 248 HH12 ARG 34 HH12 ARG 34 -11.978 -9.856 6.698 249 HH21 ARG 34 HH21 ARG 34 -8.506 -9.689 5.992 250 HH22 ARG 34 HH22 ARG 34 -9.957 -10.490 5.549 251 H PHE 35 HN PHE 35 -7.716 -4.663 4.368 252 HA PHE 35 HA PHE 35 -8.884 -2.939 2.468 253 HB2 PHE 35 HB2 PHE 35 -7.468 -5.570 2.071 254 HB3 PHE 35 HB1 PHE 35 -7.992 -4.537 0.751 255 HD1 PHE 35 HD2 PHE 35 -7.218 -1.968 1.220 256 HD2 PHE 35 HD1 PHE 35 -5.251 -5.491 2.537 257 HE1 PHE 35 HE2 PHE 35 -5.126 -0.711 1.433 258 HE2 PHE 35 HE1 PHE 35 -3.148 -4.232 2.758 259 HZ PHE 35 HZ PHE 35 -3.017 -1.942 1.959 260 H GLU 36 HN GLU 36 -9.783 -6.022 3.646 261 HA GLU 36 HA GLU 36 -11.671 -6.847 1.743 262 HB2 GLU 36 HB2 GLU 36 -10.667 -8.143 3.686 263 HB3 GLU 36 HB1 GLU 36 -11.791 -7.291 4.728 264 HG2 GLU 36 HG2 GLU 36 -12.679 -9.440 4.266 265 HG3 GLU 36 HG1 GLU 36 -13.647 -8.253 3.393 266 H ASP 37 HN ASP 37 -11.840 -4.700 4.519 267 HA ASP 37 HA ASP 37 -14.679 -4.387 4.552 268 HB2 ASP 37 HB2 ASP 37 -13.407 -4.197 6.597 269 HB3 ASP 37 HB1 ASP 37 -12.440 -2.897 5.928 270 H ILE 38 HN ILE 38 -12.069 -2.839 2.912 271 HA ILE 38 HA ILE 38 -13.902 -0.726 2.077 272 HB ILE 38 HB ILE 38 -11.942 0.514 1.188 273 HG12 ILE 38 HG12 ILE 38 -10.317 -1.670 2.531 274 HG13 ILE 38 HG11 ILE 38 -10.454 -1.430 0.796 275 HG21 ILE 38 HG21 ILE 38 -12.791 1.013 3.395 276 HG22 ILE 38 HG22 ILE 38 -11.030 1.170 3.385 277 HG23 ILE 38 HG23 ILE 38 -11.791 -0.260 4.095 278 HD11 ILE 38 HD11 ILE 38 -9.340 0.737 1.015 279 HD12 ILE 38 HD12 ILE 38 -8.346 -0.575 1.650 280 HD13 ILE 38 HD13 ILE 38 -9.209 0.488 2.759 281 H GLY 39 HN GLY 39 -13.654 -3.553 1.103 282 HA2 GLY 39 HA2 GLY 39 -14.217 -4.625 -0.846 283 HA3 GLY 39 HA1 GLY 39 -14.536 -3.047 -1.530 284 H TYR 40 HN TYR 40 -11.329 -3.773 -0.350 285 HA TYR 40 HA TYR 40 -10.388 -3.523 -3.058 286 HB2 TYR 40 HB2 TYR 40 -9.297 -2.982 -0.405 287 HB3 TYR 40 HB1 TYR 40 -8.178 -3.768 -1.515 288 HD1 TYR 40 HD1 TYR 40 -10.584 -0.959 -1.387 289 HD2 TYR 40 HD2 TYR 40 -6.931 -2.434 -2.973 290 HE1 TYR 40 HE1 TYR 40 -10.204 1.198 -2.415 291 HE2 TYR 40 HE2 TYR 40 -6.507 -0.252 -4.037 292 HH TYR 40 HH TYR 40 -8.441 2.536 -3.330 293 H ASP 41 HN ASP 41 -9.093 -4.933 -4.036 294 HA ASP 41 HA ASP 41 -9.129 -7.659 -2.971 295 HB2 ASP 41 HB2 ASP 41 -9.029 -8.415 -5.338 296 HB3 ASP 41 HB1 ASP 41 -10.496 -7.522 -4.965 297 H SER 42 HN SER 42 -7.395 -9.000 -3.718 298 HA SER 42 HA SER 42 -4.910 -8.197 -2.895 299 HB2 SER 42 HB2 SER 42 -5.444 -10.393 -4.867 300 HB3 SER 42 HB1 SER 42 -4.220 -10.334 -3.591 301 H LEU 43 HN LEU 43 -6.250 -8.230 -6.162 302 HA LEU 43 HA LEU 43 -3.828 -7.974 -7.610 303 HB2 LEU 43 HB2 LEU 43 -6.604 -7.093 -8.398 304 HB3 LEU 43 HB1 LEU 43 -5.250 -7.317 -9.485 305 HG LEU 43 HG LEU 43 -6.570 -9.525 -7.908 306 HD11 LEU 43 HD11 LEU 43 -7.505 -10.202 -10.050 307 HD12 LEU 43 HD12 LEU 43 -6.796 -8.777 -10.811 308 HD13 LEU 43 HD13 LEU 43 -8.055 -8.591 -9.590 309 HD21 LEU 43 HD21 LEU 43 -5.283 -11.005 -9.365 310 HD22 LEU 43 HD22 LEU 43 -4.216 -9.965 -8.424 311 HD23 LEU 43 HD23 LEU 43 -4.521 -9.606 -10.123 312 H ALA 44 HN ALA 44 -6.255 -5.691 -6.533 313 HA ALA 44 HA ALA 44 -5.097 -3.336 -7.541 314 HB1 ALA 44 HB1 ALA 44 -6.841 -3.637 -5.092 315 HB2 ALA 44 HB2 ALA 44 -7.421 -3.484 -6.748 316 HB3 ALA 44 HB3 ALA 44 -6.549 -2.150 -5.993 317 H LEU 45 HN LEU 45 -4.456 -5.162 -4.670 318 HA LEU 45 HA LEU 45 -3.043 -3.105 -3.332 319 HB2 LEU 45 HB2 LEU 45 -2.815 -6.068 -2.923 320 HB3 LEU 45 HB1 LEU 45 -2.344 -4.830 -1.785 321 HG LEU 45 HG LEU 45 -5.159 -5.427 -2.656 322 HD11 LEU 45 HD11 LEU 45 -4.260 -7.123 -1.181 323 HD12 LEU 45 HD12 LEU 45 -5.473 -6.145 -0.350 324 HD13 LEU 45 HD13 LEU 45 -3.759 -5.880 -0.034 325 HD21 LEU 45 HD21 LEU 45 -5.791 -3.791 -0.942 326 HD22 LEU 45 HD22 LEU 45 -4.850 -3.069 -2.251 327 HD23 LEU 45 HD23 LEU 45 -4.081 -3.411 -0.705 328 H MET 46 HN MET 46 -2.140 -5.924 -5.260 329 HA MET 46 HA MET 46 0.675 -5.582 -5.089 330 HB2 MET 46 HB2 MET 46 -0.943 -6.982 -7.239 331 HB3 MET 46 HB1 MET 46 0.798 -7.108 -7.053 332 HG2 MET 46 HG2 MET 46 0.474 -8.139 -4.841 333 HG3 MET 46 HG1 MET 46 -1.273 -8.031 -5.069 334 HE1 MET 46 HE1 MET 46 -1.806 -10.487 -8.100 335 HE2 MET 46 HE2 MET 46 -1.496 -8.753 -8.200 336 HE3 MET 46 HE3 MET 46 -2.585 -9.386 -6.965 337 H GLU 47 HN GLU 47 -1.750 -4.499 -7.346 338 HA GLU 47 HA GLU 47 -0.242 -3.192 -9.289 339 HB2 GLU 47 HB2 GLU 47 -2.679 -3.638 -9.344 340 HB3 GLU 47 HB1 GLU 47 -2.920 -2.456 -8.079 341 HG2 GLU 47 HG2 GLU 47 -3.590 -1.534 -10.179 342 HG3 GLU 47 HG1 GLU 47 -2.154 -0.696 -9.614 343 H THR 48 HN THR 48 -1.231 -2.231 -6.097 344 HA THR 48 HA THR 48 -0.377 0.476 -6.188 345 HB THR 48 HB THR 48 -1.038 -1.400 -3.916 346 HG1 THR 48 HG1 THR 48 -2.873 -1.029 -4.978 347 HG21 THR 48 HG21 THR 48 -1.281 0.598 -2.527 348 HG22 THR 48 HG22 THR 48 -0.695 1.613 -3.854 349 HG23 THR 48 HG23 THR 48 0.379 0.428 -3.097 350 H ALA 49 HN ALA 49 0.958 -2.396 -4.480 351 HA ALA 49 HA ALA 49 3.254 -1.215 -3.469 352 HB1 ALA 49 HB1 ALA 49 4.152 -3.458 -3.234 353 HB2 ALA 49 HB2 ALA 49 2.953 -4.073 -4.370 354 HB3 ALA 49 HB3 ALA 49 2.439 -3.434 -2.810 355 H ALA 50 HN ALA 50 2.822 -2.814 -6.602 356 HA ALA 50 HA ALA 50 5.457 -2.738 -7.469 357 HB1 ALA 50 HB1 ALA 50 4.595 -3.093 -9.696 358 HB2 ALA 50 HB2 ALA 50 2.986 -2.584 -9.185 359 HB3 ALA 50 HB3 ALA 50 3.693 -4.063 -8.531 360 H ARG 51 HN ARG 51 3.130 -0.111 -7.392 361 HA ARG 51 HA ARG 51 4.720 1.471 -9.246 362 HB2 ARG 51 HB2 ARG 51 3.055 3.145 -9.172 363 HB3 ARG 51 HB1 ARG 51 2.151 1.652 -9.049 364 HG2 ARG 51 HG2 ARG 51 1.907 1.980 -6.641 365 HG3 ARG 51 HG1 ARG 51 2.869 3.455 -6.740 366 HD2 ARG 51 HD2 ARG 51 0.617 4.152 -6.685 367 HD3 ARG 51 HD1 ARG 51 1.132 4.322 -8.360 368 HE ARG 51 HE ARG 51 -0.676 2.296 -7.268 369 HH11 ARG 51 HH11 ARG 51 0.639 4.052 -10.060 370 HH12 ARG 51 HH12 ARG 51 -0.333 3.263 -11.209 371 HH21 ARG 51 HH21 ARG 51 -2.082 1.292 -8.805 372 HH22 ARG 51 HH22 ARG 51 -1.978 1.676 -10.475 373 H LEU 52 HN LEU 52 4.486 0.932 -5.894 374 HA LEU 52 HA LEU 52 5.756 3.373 -5.077 375 HB2 LEU 52 HB2 LEU 52 5.230 0.786 -3.618 376 HB3 LEU 52 HB1 LEU 52 5.933 2.207 -2.868 377 HG LEU 52 HG LEU 52 3.182 2.132 -4.115 378 HD11 LEU 52 HD11 LEU 52 3.999 2.007 -1.216 379 HD12 LEU 52 HD12 LEU 52 3.290 0.689 -2.155 380 HD13 LEU 52 HD13 LEU 52 2.348 2.142 -1.822 381 HD21 LEU 52 HD21 LEU 52 2.893 4.264 -2.939 382 HD22 LEU 52 HD22 LEU 52 4.212 4.347 -4.108 383 HD23 LEU 52 HD23 LEU 52 4.568 4.195 -2.394 384 H GLU 53 HN GLU 53 6.676 0.113 -5.834 385 HA GLU 53 HA GLU 53 9.298 -0.011 -4.971 386 HB2 GLU 53 HB2 GLU 53 8.058 -1.119 -7.463 387 HB3 GLU 53 HB1 GLU 53 9.670 -1.518 -6.909 388 HG2 GLU 53 HG2 GLU 53 8.669 -2.423 -4.841 389 HG3 GLU 53 HG1 GLU 53 7.071 -2.123 -5.546 390 H SER 54 HN SER 54 8.105 1.086 -8.148 391 HA SER 54 HA SER 54 10.633 1.675 -9.187 392 HB2 SER 54 HB2 SER 54 9.215 2.863 -10.921 393 HB3 SER 54 HB1 SER 54 8.867 1.149 -10.667 394 HG SER 54 HG SER 54 6.976 2.434 -10.732 395 H ARG 55 HN ARG 55 8.390 3.485 -7.262 396 HA ARG 55 HA ARG 55 9.576 6.006 -7.964 397 HB2 ARG 55 HB2 ARG 55 7.151 5.869 -7.403 398 HB3 ARG 55 HB1 ARG 55 7.595 5.431 -5.760 399 HG2 ARG 55 HG2 ARG 55 8.729 7.543 -5.472 400 HG3 ARG 55 HG1 ARG 55 8.341 7.990 -7.130 401 HD2 ARG 55 HD2 ARG 55 5.973 7.975 -6.589 402 HD3 ARG 55 HD1 ARG 55 6.341 7.467 -4.933 403 HE ARG 55 HE ARG 55 7.551 9.884 -5.981 404 HH11 ARG 55 HH11 ARG 55 5.003 8.541 -3.885 405 HH12 ARG 55 HH12 ARG 55 5.011 9.850 -2.798 406 HH21 ARG 55 HH21 ARG 55 7.486 11.717 -4.540 407 HH22 ARG 55 HH22 ARG 55 6.483 11.692 -3.168 408 H TYR 56 HN TYR 56 9.619 3.873 -5.118 409 HA TYR 56 HA TYR 56 11.484 5.735 -3.901 410 HB2 TYR 56 HB2 TYR 56 9.727 3.631 -2.705 411 HB3 TYR 56 HB1 TYR 56 11.084 4.303 -1.796 412 HD1 TYR 56 HD2 TYR 56 7.861 5.035 -3.365 413 HD2 TYR 56 HD1 TYR 56 11.012 6.585 -0.969 414 HE1 TYR 56 HE2 TYR 56 6.424 6.909 -2.718 415 HE2 TYR 56 HE1 TYR 56 9.603 8.463 -0.300 416 HH TYR 56 HH TYR 56 7.550 9.677 -1.004 417 H GLY 57 HN GLY 57 11.904 3.242 -5.832 418 HA2 GLY 57 HA2 GLY 57 13.826 2.118 -6.372 419 HA3 GLY 57 HA1 GLY 57 14.651 3.074 -5.152 420 H VAL 58 HN VAL 58 12.180 0.548 -5.204 421 HA VAL 58 HA VAL 58 13.867 -1.056 -3.483 422 HB VAL 58 HB VAL 58 12.393 0.259 -1.965 423 HG11 VAL 58 HG11 VAL 58 10.476 0.614 -3.359 424 HG12 VAL 58 HG12 VAL 58 9.984 -0.167 -1.856 425 HG13 VAL 58 HG13 VAL 58 10.104 -1.110 -3.344 426 HG21 VAL 58 HG21 VAL 58 11.758 -2.686 -2.024 427 HG22 VAL 58 HG22 VAL 58 11.507 -1.620 -0.645 428 HG23 VAL 58 HG23 VAL 58 13.142 -1.930 -1.237 429 H SER 59 HN SER 59 13.448 -3.264 -3.712 430 HA SER 59 HA SER 59 11.532 -3.943 -5.828 431 HB2 SER 59 HB2 SER 59 13.919 -4.197 -6.510 432 HB3 SER 59 HB1 SER 59 14.161 -5.318 -5.174 433 HG SER 59 HG SER 59 12.641 -6.734 -6.186 434 H ILE 60 HN ILE 60 9.868 -4.962 -5.016 435 HA ILE 60 HA ILE 60 10.235 -6.878 -2.814 436 HB ILE 60 HB ILE 60 7.972 -4.856 -3.095 437 HG12 ILE 60 HG12 ILE 60 10.097 -5.081 -0.950 438 HG13 ILE 60 HG11 ILE 60 10.063 -3.868 -2.222 439 HG21 ILE 60 HG21 ILE 60 7.137 -6.976 -2.240 440 HG22 ILE 60 HG22 ILE 60 7.118 -5.755 -0.968 441 HG23 ILE 60 HG23 ILE 60 8.381 -6.984 -0.989 442 HD11 ILE 60 HD11 ILE 60 7.976 -2.984 -1.305 443 HD12 ILE 60 HD12 ILE 60 9.278 -2.960 -0.116 444 HD13 ILE 60 HD13 ILE 60 8.025 -4.202 -0.033 445 HA PRO 61 HA PRO 61 8.138 -9.469 -5.804 446 HB2 PRO 61 HB2 PRO 61 7.224 -11.281 -3.858 447 HB3 PRO 61 HB1 PRO 61 8.735 -11.415 -4.759 448 HG2 PRO 61 HG2 PRO 61 8.259 -10.438 -1.999 449 HG3 PRO 61 HG1 PRO 61 9.674 -11.260 -2.676 450 HD2 PRO 61 HD2 PRO 61 9.618 -8.611 -2.126 451 HD3 PRO 61 HD1 PRO 61 10.602 -9.286 -3.437 452 H ASP 62 HN ASP 62 6.220 -8.903 -6.554 453 HA ASP 62 HA ASP 62 4.377 -7.404 -5.057 454 HB2 ASP 62 HB2 ASP 62 2.945 -7.317 -6.994 455 HB3 ASP 62 HB1 ASP 62 4.607 -7.175 -7.526 456 H ASP 63 HN ASP 63 4.632 -10.788 -5.477 457 HA ASP 63 HA ASP 63 1.990 -11.598 -4.922 458 HB2 ASP 63 HB2 ASP 63 4.596 -12.979 -4.258 459 HB3 ASP 63 HB1 ASP 63 3.034 -13.691 -3.892 460 H VAL 64 HN VAL 64 4.417 -10.341 -2.822 461 HA VAL 64 HA VAL 64 3.326 -11.207 -0.342 462 HB VAL 64 HB VAL 64 5.074 -8.831 -0.949 463 HG11 VAL 64 HG11 VAL 64 4.625 -10.299 1.666 464 HG12 VAL 64 HG12 VAL 64 4.076 -8.669 1.279 465 HG13 VAL 64 HG13 VAL 64 5.802 -9.006 1.421 466 HG21 VAL 64 HG21 VAL 64 5.842 -11.633 -0.157 467 HG22 VAL 64 HG22 VAL 64 6.962 -10.278 -0.294 468 HG23 VAL 64 HG23 VAL 64 6.112 -10.869 -1.721 469 H ALA 65 HN ALA 65 2.657 -8.569 -2.507 470 HA ALA 65 HA ALA 65 1.239 -6.995 -0.576 471 HB1 ALA 65 HB1 ALA 65 2.359 -5.937 -2.474 472 HB2 ALA 65 HB2 ALA 65 0.629 -5.590 -2.481 473 HB3 ALA 65 HB3 ALA 65 1.293 -6.792 -3.587 474 H GLY 66 HN GLY 66 0.574 -9.781 -2.280 475 HA2 GLY 66 HA2 GLY 66 -2.309 -9.316 -2.292 476 HA3 GLY 66 HA1 GLY 66 -1.477 -10.703 -2.990 477 H ARG 67 HN ARG 67 -0.397 -9.747 0.081 478 HA ARG 67 HA ARG 67 -2.102 -11.743 1.405 479 HB2 ARG 67 HB2 ARG 67 0.211 -12.588 0.861 480 HB3 ARG 67 HB1 ARG 67 0.848 -11.336 1.915 481 HG2 ARG 67 HG2 ARG 67 -0.466 -12.351 3.783 482 HG3 ARG 67 HG1 ARG 67 -0.870 -13.680 2.694 483 HD2 ARG 67 HD2 ARG 67 1.023 -14.290 4.052 484 HD3 ARG 67 HD1 ARG 67 1.531 -14.106 2.376 485 HE ARG 67 HE ARG 67 1.836 -11.887 4.248 486 HH11 ARG 67 HH11 ARG 67 3.326 -14.330 2.153 487 HH12 ARG 67 HH12 ARG 67 4.895 -13.673 2.206 488 HH21 ARG 67 HH21 ARG 67 4.036 -10.989 4.393 489 HH22 ARG 67 HH22 ARG 67 5.310 -11.716 3.565 490 H VAL 68 HN VAL 68 -1.384 -8.583 1.206 491 HA VAL 68 HA VAL 68 -1.127 -8.144 4.048 492 HB VAL 68 HB VAL 68 -1.004 -5.690 3.503 493 HG11 VAL 68 HG11 VAL 68 1.237 -5.798 2.533 494 HG12 VAL 68 HG12 VAL 68 0.951 -7.476 2.076 495 HG13 VAL 68 HG13 VAL 68 0.996 -7.018 3.782 496 HG21 VAL 68 HG21 VAL 68 -2.222 -5.656 1.375 497 HG22 VAL 68 HG22 VAL 68 -0.970 -6.667 0.645 498 HG23 VAL 68 HG23 VAL 68 -0.579 -5.034 1.171 499 H ASP 69 HN ASP 69 -2.636 -7.593 5.374 500 HA ASP 69 HA ASP 69 -5.342 -7.895 4.342 501 HB2 ASP 69 HB2 ASP 69 -4.402 -9.274 6.217 502 HB3 ASP 69 HB1 ASP 69 -4.366 -7.809 7.185 503 H THR 70 HN THR 70 -3.344 -5.686 6.201 504 HA THR 70 HA THR 70 -5.442 -3.651 5.969 505 HB THR 70 HB THR 70 -4.365 -2.628 8.012 506 HG1 THR 70 HG1 THR 70 -3.269 -5.088 8.694 507 HG21 THR 70 HG21 THR 70 -5.392 -4.198 9.621 508 HG22 THR 70 HG22 THR 70 -5.475 -5.422 8.350 509 HG23 THR 70 HG23 THR 70 -6.428 -3.946 8.213 510 HA PRO 71 HA PRO 71 -2.618 -1.178 3.587 511 HB2 PRO 71 HB2 PRO 71 -3.389 1.127 5.301 512 HB3 PRO 71 HB1 PRO 71 -3.469 0.957 3.544 513 HG2 PRO 71 HG2 PRO 71 -5.675 0.837 4.988 514 HG3 PRO 71 HG1 PRO 71 -5.438 -0.272 3.622 515 HD2 PRO 71 HD2 PRO 71 -5.112 -0.785 6.556 516 HD3 PRO 71 HD1 PRO 71 -5.869 -1.806 5.316 517 H ARG 72 HN ARG 72 -2.464 -1.132 7.063 518 HA ARG 72 HA ARG 72 -0.074 0.301 7.369 519 HB2 ARG 72 HB2 ARG 72 -1.483 -0.249 9.292 520 HB3 ARG 72 HB1 ARG 72 -1.139 -1.961 9.068 521 HG2 ARG 72 HG2 ARG 72 1.202 -1.590 9.583 522 HG3 ARG 72 HG1 ARG 72 0.919 0.146 9.729 523 HD2 ARG 72 HD2 ARG 72 -0.316 -1.998 11.448 524 HD3 ARG 72 HD1 ARG 72 1.026 -0.954 11.911 525 HE ARG 72 HE ARG 72 -0.604 0.909 11.478 526 HH11 ARG 72 HH11 ARG 72 -1.575 -2.282 12.734 527 HH12 ARG 72 HH12 ARG 72 -2.955 -1.690 13.555 528 HH21 ARG 72 HH21 ARG 72 -2.530 1.698 12.601 529 HH22 ARG 72 HH22 ARG 72 -3.549 0.602 13.410 530 H GLU 73 HN GLU 73 -0.726 -3.097 6.707 531 HA GLU 73 HA GLU 73 1.973 -3.924 6.940 532 HB2 GLU 73 HB2 GLU 73 -0.300 -5.221 5.450 533 HB3 GLU 73 HB1 GLU 73 1.228 -5.983 5.868 534 HG2 GLU 73 HG2 GLU 73 0.712 -5.678 8.234 535 HG3 GLU 73 HG1 GLU 73 -0.842 -4.977 7.782 536 H LEU 74 HN LEU 74 -0.034 -2.847 4.273 537 HA LEU 74 HA LEU 74 1.769 -3.486 2.175 538 HB2 LEU 74 HB2 LEU 74 -0.774 -2.705 2.190 539 HB3 LEU 74 HB1 LEU 74 -0.077 -1.112 2.032 540 HG LEU 74 HG LEU 74 0.150 -3.394 0.050 541 HD11 LEU 74 HD11 LEU 74 -1.305 -0.787 -0.106 542 HD12 LEU 74 HD12 LEU 74 -2.015 -2.394 0.059 543 HD13 LEU 74 HD13 LEU 74 -1.147 -1.959 -1.412 544 HD21 LEU 74 HD21 LEU 74 2.217 -2.063 0.016 545 HD22 LEU 74 HD22 LEU 74 1.267 -0.591 -0.171 546 HD23 LEU 74 HD23 LEU 74 1.271 -1.809 -1.450 547 H LEU 75 HN LEU 75 1.253 -0.601 4.146 548 HA LEU 75 HA LEU 75 3.226 1.066 2.992 549 HB2 LEU 75 HB2 LEU 75 1.351 1.808 4.458 550 HB3 LEU 75 HB1 LEU 75 2.138 1.029 5.809 551 HG LEU 75 HG LEU 75 4.047 2.611 5.553 552 HD11 LEU 75 HD11 LEU 75 3.741 4.604 4.202 553 HD12 LEU 75 HD12 LEU 75 2.238 3.945 3.556 554 HD13 LEU 75 HD13 LEU 75 3.774 3.151 3.206 555 HD21 LEU 75 HD21 LEU 75 1.327 3.854 5.949 556 HD22 LEU 75 HD22 LEU 75 2.862 4.532 6.491 557 HD23 LEU 75 HD23 LEU 75 2.274 3.017 7.179 558 H ASP 76 HN ASP 76 3.179 -1.156 5.709 559 HA ASP 76 HA ASP 76 5.742 -0.725 6.750 560 HB2 ASP 76 HB2 ASP 76 3.875 -1.843 7.939 561 HB3 ASP 76 HB1 ASP 76 4.058 -3.231 6.880 562 H LEU 77 HN LEU 77 4.575 -2.899 4.246 563 HA LEU 77 HA LEU 77 6.864 -4.441 3.837 564 HB2 LEU 77 HB2 LEU 77 4.898 -3.397 1.801 565 HB3 LEU 77 HB1 LEU 77 6.093 -4.602 1.419 566 HG LEU 77 HG LEU 77 3.733 -4.880 3.247 567 HD11 LEU 77 HD11 LEU 77 3.244 -4.984 0.875 568 HD12 LEU 77 HD12 LEU 77 3.072 -6.577 1.613 569 HD13 LEU 77 HD13 LEU 77 4.505 -6.200 0.654 570 HD21 LEU 77 HD21 LEU 77 5.940 -6.871 2.679 571 HD22 LEU 77 HD22 LEU 77 4.453 -7.207 3.569 572 HD23 LEU 77 HD23 LEU 77 5.633 -6.074 4.222 573 H ILE 78 HN ILE 78 5.957 -1.381 2.371 574 HA ILE 78 HA ILE 78 8.342 -1.085 0.859 575 HB ILE 78 HB ILE 78 6.501 1.153 1.779 576 HG12 ILE 78 HG12 ILE 78 5.157 -0.633 0.716 577 HG13 ILE 78 HG11 ILE 78 5.211 0.810 -0.283 578 HG21 ILE 78 HG21 ILE 78 8.608 1.885 0.774 579 HG22 ILE 78 HG22 ILE 78 7.248 2.264 -0.278 580 HG23 ILE 78 HG23 ILE 78 8.291 0.889 -0.649 581 HD11 ILE 78 HD11 ILE 78 5.392 -1.212 -1.621 582 HD12 ILE 78 HD12 ILE 78 6.823 -1.702 -0.713 583 HD13 ILE 78 HD13 ILE 78 6.874 -0.261 -1.725 584 H ASN 79 HN ASN 79 7.185 0.557 3.829 585 HA ASN 79 HA ASN 79 9.445 2.070 4.444 586 HB2 ASN 79 HB2 ASN 79 7.447 0.800 6.330 587 HB3 ASN 79 HB1 ASN 79 8.737 1.847 6.882 588 HD21 ASN 79 HD21 ASN 79 8.497 3.760 4.652 589 HD22 ASN 79 HD22 ASN 79 7.006 4.579 4.933 590 H GLY 80 HN GLY 80 8.706 -1.244 5.509 591 HA2 GLY 80 HA2 GLY 80 10.941 -1.579 7.154 592 HA3 GLY 80 HA1 GLY 80 9.959 -2.856 6.456 593 H ALA 81 HN ALA 81 10.398 -2.558 3.787 594 HA ALA 81 HA ALA 81 12.880 -3.825 3.463 595 HB1 ALA 81 HB1 ALA 81 10.993 -4.154 1.931 596 HB2 ALA 81 HB2 ALA 81 12.455 -3.685 1.066 597 HB3 ALA 81 HB3 ALA 81 11.178 -2.500 1.353 598 H LEU 82 HN LEU 82 11.888 -0.505 3.024 599 HA LEU 82 HA LEU 82 14.321 0.406 1.894 600 HB2 LEU 82 HB2 LEU 82 12.170 1.917 3.379 601 HB3 LEU 82 HB1 LEU 82 13.514 2.671 2.543 602 HG LEU 82 HG LEU 82 11.411 0.975 1.198 603 HD11 LEU 82 HD11 LEU 82 10.550 3.082 0.318 604 HD12 LEU 82 HD12 LEU 82 11.708 3.970 1.307 605 HD13 LEU 82 HD13 LEU 82 10.438 3.018 2.075 606 HD21 LEU 82 HD21 LEU 82 13.561 0.993 0.040 607 HD22 LEU 82 HD22 LEU 82 13.566 2.757 0.073 608 HD23 LEU 82 HD23 LEU 82 12.346 1.897 -0.862 609 H ALA 83 HN ALA 83 13.064 0.439 5.225 610 HA ALA 83 HA ALA 83 15.307 1.723 6.375 611 HB1 ALA 83 HB1 ALA 83 14.406 0.986 8.523 612 HB2 ALA 83 HB2 ALA 83 13.329 -0.140 7.697 613 HB3 ALA 83 HB3 ALA 83 13.115 1.598 7.488 614 H GLU 84 HN GLU 84 14.612 -1.565 5.613 615 HA GLU 84 HA GLU 84 16.599 -2.916 7.049 616 HB2 GLU 84 HB2 GLU 84 14.688 -3.942 5.929 617 HB3 GLU 84 HB1 GLU 84 15.357 -3.503 4.373 618 HG2 GLU 84 HG2 GLU 84 17.262 -4.988 4.819 619 HG3 GLU 84 HG1 GLU 84 16.483 -5.479 6.332 620 H ALA 85 HN ALA 85 16.685 -1.193 3.979 621 HA ALA 85 HA ALA 85 19.404 -2.077 3.443 622 HB1 ALA 85 HB1 ALA 85 17.779 -2.117 1.617 623 HB2 ALA 85 HB2 ALA 85 19.105 -1.009 1.272 624 HB3 ALA 85 HB3 ALA 85 17.542 -0.380 1.790 625 H ALA 86 HN ALA 86 18.305 0.036 5.461 626 HA ALA 86 HA ALA 86 19.995 2.275 4.686 627 HB1 ALA 86 HB1 ALA 86 18.897 3.500 6.497 628 HB2 ALA 86 HB2 ALA 86 18.004 2.047 6.946 629 HB3 ALA 86 HB3 ALA 86 17.702 2.819 5.390 630 H282 PNS 87 H28A PNS 87 -7.869 -11.838 -4.367 631 H281 PNS 87 H28B PNS 87 -6.994 -13.332 -4.692 632 H303 PNS 87 H30A PNS 87 -9.721 -15.611 -3.843 633 H302 PNS 87 H30B PNS 87 -8.436 -15.087 -2.748 634 H301 PNS 87 H30C PNS 87 -8.062 -15.482 -4.427 635 H313 PNS 87 H31A PNS 87 -10.261 -11.958 -3.523 636 H312 PNS 87 H31B PNS 87 -9.763 -13.039 -2.223 637 H311 PNS 87 H31C PNS 87 -11.036 -13.533 -3.343 638 H32 PNS 87 H32A PNS 87 -8.813 -14.022 -6.299 639 H33 PNS 87 H33A PNS 87 -9.135 -12.146 -6.966 640 H36 PNS 87 H36A PNS 87 -11.443 -12.543 -6.744 641 H372 PNS 87 H37A PNS 87 -12.998 -14.795 -7.481 642 H371 PNS 87 H37B PNS 87 -13.677 -14.080 -6.014 643 H382 PNS 87 H38A PNS 87 -14.062 -11.987 -7.221 644 H381 PNS 87 H38B PNS 87 -13.145 -12.589 -8.574 645 H41 PNS 87 H41A PNS 87 -14.518 -15.304 -7.990 646 H422 PNS 87 H42A PNS 87 -17.161 -15.386 -8.323 647 H421 PNS 87 H42B PNS 87 -16.535 -15.195 -9.980 648 H431 PNS 87 H43A PNS 87 -15.195 -17.150 -9.719 649 H432 PNS 87 H43B PNS 87 -16.813 -17.606 -9.143 650 H44 PNS 87 H1 PNS 87 -14.839 -18.763 -7.486 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 19.091 4.965 -0.346 2 H2 MET 1 HT2 MET 1 20.178 5.140 0.951 3 H3 MET 1 HT3 MET 1 19.529 6.504 0.170 4 HA MET 1 HA MET 1 17.862 4.520 1.533 5 HB2 MET 1 HB2 MET 1 18.804 7.215 2.536 6 HB3 MET 1 HB1 MET 1 17.524 6.265 3.275 7 HG2 MET 1 HG2 MET 1 20.420 5.508 3.038 8 HG3 MET 1 HG1 MET 1 19.571 6.008 4.498 9 HE1 MET 1 HE1 MET 1 20.294 2.240 5.166 10 HE2 MET 1 HE2 MET 1 20.451 3.887 5.778 11 HE3 MET 1 HE3 MET 1 21.329 3.398 4.328 12 H ALA 2 HN ALA 2 16.086 4.530 0.433 13 HA ALA 2 HA ALA 2 15.224 6.784 -1.085 14 HB1 ALA 2 HB1 ALA 2 14.771 4.492 -1.814 15 HB2 ALA 2 HB2 ALA 2 13.276 5.407 -1.595 16 HB3 ALA 2 HB3 ALA 2 13.785 4.239 -0.373 17 H THR 3 HN THR 3 13.274 7.912 -0.740 18 HA THR 3 HA THR 3 12.956 8.825 1.919 19 HB THR 3 HB THR 3 11.134 9.225 -0.371 20 HG1 THR 3 HG1 THR 3 13.785 10.116 0.060 21 HG21 THR 3 HG21 THR 3 10.417 10.191 1.753 22 HG22 THR 3 HG22 THR 3 10.861 11.482 0.635 23 HG23 THR 3 HG23 THR 3 11.968 11.013 1.925 24 H LEU 4 HN LEU 4 11.952 7.556 3.384 25 HA LEU 4 HA LEU 4 10.107 5.505 2.852 26 HB2 LEU 4 HB2 LEU 4 10.270 7.132 5.397 27 HB3 LEU 4 HB1 LEU 4 9.575 5.546 5.174 28 HG LEU 4 HG LEU 4 12.519 6.179 4.951 29 HD11 LEU 4 HD11 LEU 4 11.716 6.412 7.235 30 HD12 LEU 4 HD12 LEU 4 12.722 4.973 7.066 31 HD13 LEU 4 HD13 LEU 4 10.967 4.820 7.145 32 HD21 LEU 4 HD21 LEU 4 11.840 4.297 3.564 33 HD22 LEU 4 HD22 LEU 4 11.046 3.550 4.952 34 HD23 LEU 4 HD23 LEU 4 12.797 3.756 4.941 35 H LEU 5 HN LEU 5 8.118 5.698 2.179 36 HA LEU 5 HA LEU 5 6.859 8.269 2.178 37 HB2 LEU 5 HB2 LEU 5 5.128 7.221 0.778 38 HB3 LEU 5 HB1 LEU 5 6.736 7.004 0.146 39 HG LEU 5 HG LEU 5 6.588 4.646 1.229 40 HD11 LEU 5 HD11 LEU 5 4.341 3.715 1.290 41 HD12 LEU 5 HD12 LEU 5 3.664 5.316 1.006 42 HD13 LEU 5 HD13 LEU 5 4.550 4.986 2.495 43 HD21 LEU 5 HD21 LEU 5 5.566 3.779 -0.805 44 HD22 LEU 5 HD22 LEU 5 6.716 5.073 -1.142 45 HD23 LEU 5 HD23 LEU 5 4.982 5.396 -1.195 46 H THR 6 HN THR 6 4.700 8.665 2.972 47 HA THR 6 HA THR 6 4.246 7.079 5.349 48 HB THR 6 HB THR 6 3.256 9.212 6.319 49 HG1 THR 6 HG1 THR 6 4.415 11.096 5.139 50 HG21 THR 6 HG21 THR 6 5.450 10.139 6.904 51 HG22 THR 6 HG22 THR 6 6.186 9.215 5.593 52 HG23 THR 6 HG23 THR 6 5.463 8.376 6.967 53 H THR 7 HN THR 7 1.848 8.197 6.127 54 HA THR 7 HA THR 7 -0.028 6.521 5.144 55 HB THR 7 HB THR 7 -0.444 9.283 6.278 56 HG1 THR 7 HG1 THR 7 -0.508 7.807 8.267 57 HG21 THR 7 HG21 THR 7 -2.100 6.751 6.438 58 HG22 THR 7 HG22 THR 7 -2.497 8.179 5.485 59 HG23 THR 7 HG23 THR 7 -2.472 8.273 7.248 60 H ASP 8 HN ASP 8 0.336 9.997 4.278 61 HA ASP 8 HA ASP 8 -1.848 9.846 2.458 62 HB2 ASP 8 HB2 ASP 8 0.146 12.078 2.863 63 HB3 ASP 8 HB1 ASP 8 -1.245 12.180 1.789 64 H ASP 9 HN ASP 9 1.551 9.455 2.052 65 HA ASP 9 HA ASP 9 1.671 9.676 -0.777 66 HB2 ASP 9 HB2 ASP 9 3.261 7.870 1.047 67 HB3 ASP 9 HB1 ASP 9 3.594 8.085 -0.662 68 H LEU 10 HN LEU 10 1.220 6.926 1.365 69 HA LEU 10 HA LEU 10 0.725 4.992 -0.612 70 HB2 LEU 10 HB2 LEU 10 1.256 4.427 1.726 71 HB3 LEU 10 HB1 LEU 10 -0.261 5.126 2.245 72 HG LEU 10 HG LEU 10 -1.483 3.356 1.028 73 HD11 LEU 10 HD11 LEU 10 1.257 2.225 0.494 74 HD12 LEU 10 HD12 LEU 10 0.148 2.881 -0.711 75 HD13 LEU 10 HD13 LEU 10 -0.276 1.413 0.175 76 HD21 LEU 10 HD21 LEU 10 -0.906 1.523 2.547 77 HD22 LEU 10 HD22 LEU 10 -0.953 3.071 3.389 78 HD23 LEU 10 HD23 LEU 10 0.597 2.346 2.967 79 H ARG 11 HN ARG 11 -1.399 7.016 1.293 80 HA ARG 11 HA ARG 11 -3.936 6.365 0.561 81 HB2 ARG 11 HB2 ARG 11 -3.492 8.062 2.171 82 HB3 ARG 11 HB1 ARG 11 -2.665 9.055 0.992 83 HG2 ARG 11 HG2 ARG 11 -4.835 9.372 -0.167 84 HG3 ARG 11 HG1 ARG 11 -5.612 8.498 1.162 85 HD2 ARG 11 HD2 ARG 11 -4.776 10.131 2.745 86 HD3 ARG 11 HD1 ARG 11 -3.938 10.986 1.452 87 HE ARG 11 HE ARG 11 -6.586 10.811 0.727 88 HH11 ARG 11 HH11 ARG 11 -4.592 12.487 3.168 89 HH12 ARG 11 HH12 ARG 11 -5.782 13.659 3.516 90 HH21 ARG 11 HH21 ARG 11 -8.160 12.507 1.158 91 HH22 ARG 11 HH22 ARG 11 -7.839 13.686 2.340 92 H ARG 12 HN ARG 12 -2.003 8.835 -1.133 93 HA ARG 12 HA ARG 12 -3.871 9.354 -3.167 94 HB2 ARG 12 HB2 ARG 12 -0.877 9.712 -3.229 95 HB3 ARG 12 HB1 ARG 12 -2.009 10.435 -4.359 96 HG2 ARG 12 HG2 ARG 12 -3.010 11.721 -2.574 97 HG3 ARG 12 HG1 ARG 12 -1.943 10.955 -1.397 98 HD2 ARG 12 HD2 ARG 12 -0.008 11.854 -2.638 99 HD3 ARG 12 HD1 ARG 12 -1.130 12.704 -3.703 100 HE ARG 12 HE ARG 12 -1.748 13.363 -1.071 101 HH11 ARG 12 HH11 ARG 12 0.872 13.898 -3.429 102 HH12 ARG 12 HH12 ARG 12 1.385 15.356 -2.708 103 HH21 ARG 12 HH21 ARG 12 -0.995 15.339 -0.075 104 HH22 ARG 12 HH22 ARG 12 0.325 16.182 -0.747 105 H ALA 13 HN ALA 13 -1.078 7.223 -3.126 106 HA ALA 13 HA ALA 13 -1.272 6.422 -5.830 107 HB1 ALA 13 HB1 ALA 13 0.338 4.696 -5.223 108 HB2 ALA 13 HB2 ALA 13 0.055 5.021 -3.512 109 HB3 ALA 13 HB3 ALA 13 0.799 6.253 -4.532 110 H LEU 14 HN LEU 14 -2.582 5.179 -2.859 111 HA LEU 14 HA LEU 14 -3.543 2.758 -3.977 112 HB2 LEU 14 HB2 LEU 14 -2.901 2.941 -1.810 113 HB3 LEU 14 HB1 LEU 14 -4.058 4.196 -1.392 114 HG LEU 14 HG LEU 14 -5.899 2.474 -1.835 115 HD11 LEU 14 HD11 LEU 14 -4.611 0.905 -3.154 116 HD12 LEU 14 HD12 LEU 14 -5.289 0.120 -1.728 117 HD13 LEU 14 HD13 LEU 14 -3.581 0.563 -1.765 118 HD21 LEU 14 HD21 LEU 14 -5.643 1.373 0.335 119 HD22 LEU 14 HD22 LEU 14 -5.257 3.091 0.422 120 HD23 LEU 14 HD23 LEU 14 -3.959 1.895 0.396 121 H VAL 15 HN VAL 15 -4.883 5.969 -3.573 122 HA VAL 15 HA VAL 15 -7.525 5.191 -4.284 123 HB VAL 15 HB VAL 15 -6.174 7.903 -4.674 124 HG11 VAL 15 HG11 VAL 15 -9.113 7.196 -4.767 125 HG12 VAL 15 HG12 VAL 15 -8.122 7.683 -6.143 126 HG13 VAL 15 HG13 VAL 15 -8.446 8.826 -4.838 127 HG21 VAL 15 HG21 VAL 15 -7.396 8.563 -2.652 128 HG22 VAL 15 HG22 VAL 15 -6.293 7.224 -2.341 129 HG23 VAL 15 HG23 VAL 15 -8.021 6.920 -2.501 130 H GLU 16 HN GLU 16 -4.658 6.034 -6.055 131 HA GLU 16 HA GLU 16 -5.620 6.274 -8.674 132 HB2 GLU 16 HB2 GLU 16 -2.998 5.220 -7.685 133 HB3 GLU 16 HB1 GLU 16 -3.355 5.576 -9.356 134 HG2 GLU 16 HG2 GLU 16 -3.598 7.923 -8.812 135 HG3 GLU 16 HG1 GLU 16 -3.288 7.562 -7.108 136 H SER 17 HN SER 17 -4.451 3.401 -6.901 137 HA SER 17 HA SER 17 -4.438 1.566 -8.966 138 HB2 SER 17 HB2 SER 17 -5.095 1.016 -6.068 139 HB3 SER 17 HB1 SER 17 -4.460 -0.135 -7.239 140 HG SER 17 HG SER 17 -2.972 0.859 -5.734 141 H ALA 18 HN ALA 18 -7.108 2.761 -7.090 142 HA ALA 18 HA ALA 18 -8.925 0.770 -8.179 143 HB1 ALA 18 HB1 ALA 18 -9.136 1.352 -5.812 144 HB2 ALA 18 HB2 ALA 18 -10.593 1.784 -6.707 145 HB3 ALA 18 HB3 ALA 18 -9.433 3.033 -6.253 146 H GLY 19 HN GLY 19 -8.993 4.310 -7.803 147 HA2 GLY 19 HA2 GLY 19 -9.466 5.964 -9.296 148 HA3 GLY 19 HA1 GLY 19 -9.427 4.768 -10.576 149 H GLU 20 HN GLU 20 -11.547 3.132 -9.424 150 HA GLU 20 HA GLU 20 -13.806 4.935 -9.795 151 HB2 GLU 20 HB2 GLU 20 -14.848 3.114 -11.214 152 HB3 GLU 20 HB1 GLU 20 -13.529 4.031 -11.930 153 HG2 GLU 20 HG2 GLU 20 -11.997 2.151 -11.295 154 HG3 GLU 20 HG1 GLU 20 -13.422 1.239 -10.803 155 H THR 21 HN THR 21 -14.669 4.954 -7.888 156 HA THR 21 HA THR 21 -16.088 4.474 -6.287 157 HB THR 21 HB THR 21 -16.658 1.818 -7.645 158 HG1 THR 21 HG1 THR 21 -17.587 4.468 -8.116 159 HG21 THR 21 HG21 THR 21 -17.757 2.145 -5.432 160 HG22 THR 21 HG22 THR 21 -18.929 2.157 -6.752 161 HG23 THR 21 HG23 THR 21 -18.422 3.676 -6.010 162 H ASP 22 HN ASP 22 -13.275 3.139 -6.373 163 HA ASP 22 HA ASP 22 -13.673 2.087 -3.668 164 HB2 ASP 22 HB2 ASP 22 -11.879 0.776 -5.731 165 HB3 ASP 22 HB1 ASP 22 -11.756 0.444 -4.008 166 H GLY 23 HN GLY 23 -12.467 4.457 -5.369 167 HA2 GLY 23 HA2 GLY 23 -9.994 4.791 -3.915 168 HA3 GLY 23 HA1 GLY 23 -10.727 5.936 -5.055 169 H THR 24 HN THR 24 -10.776 4.697 -1.851 170 HA THR 24 HA THR 24 -13.012 6.147 -0.985 171 HB THR 24 HB THR 24 -12.000 5.258 1.287 172 HG1 THR 24 HG1 THR 24 -10.819 3.212 0.126 173 HG21 THR 24 HG21 THR 24 -14.000 4.354 0.137 174 HG22 THR 24 HG22 THR 24 -12.998 3.065 0.806 175 HG23 THR 24 HG23 THR 24 -12.948 3.417 -0.921 176 H ASP 25 HN ASP 25 -12.382 7.188 1.445 177 HA ASP 25 HA ASP 25 -11.274 9.730 0.766 178 HB2 ASP 25 HB2 ASP 25 -12.120 8.571 3.429 179 HB3 ASP 25 HB1 ASP 25 -11.517 10.208 3.236 180 H LEU 26 HN LEU 26 -10.326 7.296 3.170 181 HA LEU 26 HA LEU 26 -8.364 6.685 4.083 182 HB2 LEU 26 HB2 LEU 26 -7.119 7.838 1.580 183 HB3 LEU 26 HB1 LEU 26 -6.369 6.713 2.693 184 HG LEU 26 HG LEU 26 -8.730 6.118 0.909 185 HD11 LEU 26 HD11 LEU 26 -6.664 6.329 -0.329 186 HD12 LEU 26 HD12 LEU 26 -7.180 4.643 -0.266 187 HD13 LEU 26 HD13 LEU 26 -5.870 5.203 0.771 188 HD21 LEU 26 HD21 LEU 26 -8.458 3.799 1.645 189 HD22 LEU 26 HD22 LEU 26 -8.847 4.857 3.004 190 HD23 LEU 26 HD23 LEU 26 -7.191 4.301 2.765 191 H SER 27 HN SER 27 -9.419 9.468 4.408 192 HA SER 27 HA SER 27 -7.152 11.138 4.800 193 HB2 SER 27 HB2 SER 27 -9.071 12.588 5.810 194 HB3 SER 27 HB1 SER 27 -9.028 12.284 4.071 195 HG SER 27 HG SER 27 -10.755 11.234 6.030 196 H GLY 28 HN GLY 28 -5.912 11.106 6.534 197 HA2 GLY 28 HA2 GLY 28 -5.695 11.452 8.885 198 HA3 GLY 28 HA1 GLY 28 -7.105 10.423 9.123 199 H ASP 29 HN ASP 29 -6.823 8.329 9.427 200 HA ASP 29 HA ASP 29 -4.302 7.112 8.586 201 HB2 ASP 29 HB2 ASP 29 -4.203 7.703 11.059 202 HB3 ASP 29 HB1 ASP 29 -5.537 6.580 11.296 203 H PHE 30 HN PHE 30 -4.736 5.398 7.480 204 HA PHE 30 HA PHE 30 -7.322 4.048 7.852 205 HB2 PHE 30 HB2 PHE 30 -7.400 3.694 5.427 206 HB3 PHE 30 HB1 PHE 30 -7.340 5.408 5.807 207 HD1 PHE 30 HD1 PHE 30 -5.244 6.684 5.405 208 HD2 PHE 30 HD2 PHE 30 -5.655 2.634 4.174 209 HE1 PHE 30 HE1 PHE 30 -3.333 6.949 3.890 210 HE2 PHE 30 HE2 PHE 30 -3.741 2.897 2.663 211 HZ PHE 30 HZ PHE 30 -2.579 5.055 2.520 212 H LEU 31 HN LEU 31 -4.388 3.602 8.706 213 HA LEU 31 HA LEU 31 -3.472 1.480 7.051 214 HB2 LEU 31 HB2 LEU 31 -2.438 2.515 9.684 215 HB3 LEU 31 HB1 LEU 31 -1.706 1.172 8.838 216 HG LEU 31 HG LEU 31 -0.381 3.069 8.383 217 HD11 LEU 31 HD11 LEU 31 -0.672 1.667 6.481 218 HD12 LEU 31 HD12 LEU 31 -0.514 3.350 5.979 219 HD13 LEU 31 HD13 LEU 31 -2.100 2.575 5.986 220 HD21 LEU 31 HD21 LEU 31 -1.217 5.154 7.403 221 HD22 LEU 31 HD22 LEU 31 -1.913 4.841 8.994 222 HD23 LEU 31 HD23 LEU 31 -2.867 4.542 7.538 223 H ASP 32 HN ASP 32 -5.604 1.563 9.703 224 HA ASP 32 HA ASP 32 -5.189 -1.286 10.239 225 HB2 ASP 32 HB2 ASP 32 -5.457 0.427 12.087 226 HB3 ASP 32 HB1 ASP 32 -7.131 0.595 11.585 227 H LEU 33 HN LEU 33 -7.006 0.638 8.203 228 HA LEU 33 HA LEU 33 -9.471 -0.845 8.312 229 HB2 LEU 33 HB2 LEU 33 -8.485 1.326 6.463 230 HB3 LEU 33 HB1 LEU 33 -9.988 0.483 6.170 231 HG LEU 33 HG LEU 33 -10.829 1.325 8.367 232 HD11 LEU 33 HD11 LEU 33 -9.696 3.181 9.458 233 HD12 LEU 33 HD12 LEU 33 -8.327 2.991 8.364 234 HD13 LEU 33 HD13 LEU 33 -8.725 1.710 9.506 235 HD21 LEU 33 HD21 LEU 33 -11.213 3.618 7.601 236 HD22 LEU 33 HD22 LEU 33 -11.418 2.440 6.303 237 HD23 LEU 33 HD23 LEU 33 -9.952 3.415 6.383 238 H ARG 34 HN ARG 34 -9.591 -2.773 7.591 239 HA ARG 34 HA ARG 34 -7.661 -4.130 6.082 240 HB2 ARG 34 HB2 ARG 34 -10.566 -4.836 6.415 241 HB3 ARG 34 HB1 ARG 34 -9.310 -5.914 5.836 242 HG2 ARG 34 HG2 ARG 34 -8.222 -5.856 7.975 243 HG3 ARG 34 HG1 ARG 34 -9.392 -4.672 8.579 244 HD2 ARG 34 HD2 ARG 34 -9.970 -7.492 7.672 245 HD3 ARG 34 HD1 ARG 34 -10.019 -6.896 9.335 246 HE ARG 34 HE ARG 34 -11.807 -5.360 8.530 247 HH11 ARG 34 HH11 ARG 34 -11.289 -8.512 6.977 248 HH12 ARG 34 HH12 ARG 34 -12.860 -8.636 6.346 249 HH21 ARG 34 HH21 ARG 34 -14.021 -5.540 7.677 250 HH22 ARG 34 HH22 ARG 34 -14.453 -6.903 6.774 251 H PHE 35 HN PHE 35 -7.472 -4.695 4.008 252 HA PHE 35 HA PHE 35 -8.511 -2.980 2.043 253 HB2 PHE 35 HB2 PHE 35 -7.065 -5.603 1.777 254 HB3 PHE 35 HB1 PHE 35 -7.509 -4.594 0.406 255 HD1 PHE 35 HD2 PHE 35 -6.801 -2.028 0.765 256 HD2 PHE 35 HD1 PHE 35 -4.920 -5.400 2.534 257 HE1 PHE 35 HE2 PHE 35 -4.728 -0.734 1.010 258 HE2 PHE 35 HE1 PHE 35 -2.847 -4.114 2.785 259 HZ PHE 35 HZ PHE 35 -2.749 -1.781 2.019 260 H GLU 36 HN GLU 36 -9.466 -6.153 3.100 261 HA GLU 36 HA GLU 36 -11.334 -6.819 1.150 262 HB2 GLU 36 HB2 GLU 36 -10.644 -8.316 2.957 263 HB3 GLU 36 HB1 GLU 36 -11.462 -7.296 4.128 264 HG2 GLU 36 HG2 GLU 36 -13.598 -7.780 3.000 265 HG3 GLU 36 HG1 GLU 36 -12.745 -8.885 1.925 266 H ASP 37 HN ASP 37 -11.589 -4.684 3.900 267 HA ASP 37 HA ASP 37 -14.407 -4.275 3.662 268 HB2 ASP 37 HB2 ASP 37 -13.412 -4.066 5.837 269 HB3 ASP 37 HB1 ASP 37 -12.303 -2.827 5.259 270 H ILE 38 HN ILE 38 -11.510 -2.553 2.647 271 HA ILE 38 HA ILE 38 -13.178 -0.456 1.561 272 HB ILE 38 HB ILE 38 -11.103 0.706 0.885 273 HG12 ILE 38 HG12 ILE 38 -9.676 -1.588 2.271 274 HG13 ILE 38 HG11 ILE 38 -9.681 -1.302 0.535 275 HG21 ILE 38 HG21 ILE 38 -11.215 -0.174 3.762 276 HG22 ILE 38 HG22 ILE 38 -12.106 1.161 3.033 277 HG23 ILE 38 HG23 ILE 38 -10.345 1.242 3.168 278 HD11 ILE 38 HD11 ILE 38 -8.518 0.528 2.623 279 HD12 ILE 38 HD12 ILE 38 -8.507 0.812 0.882 280 HD13 ILE 38 HD13 ILE 38 -7.610 -0.549 1.561 281 H GLY 39 HN GLY 39 -13.098 -3.210 0.486 282 HA2 GLY 39 HA2 GLY 39 -13.639 -4.125 -1.549 283 HA3 GLY 39 HA1 GLY 39 -13.720 -2.490 -2.170 284 H TYR 40 HN TYR 40 -10.798 -3.961 -0.806 285 HA TYR 40 HA TYR 40 -9.695 -3.620 -3.439 286 HB2 TYR 40 HB2 TYR 40 -8.695 -3.004 -0.820 287 HB3 TYR 40 HB1 TYR 40 -7.582 -4.022 -1.756 288 HD1 TYR 40 HD1 TYR 40 -9.491 -0.846 -1.848 289 HD2 TYR 40 HD2 TYR 40 -6.433 -3.227 -3.570 290 HE1 TYR 40 HE1 TYR 40 -8.843 1.031 -3.301 291 HE2 TYR 40 HE2 TYR 40 -5.776 -1.373 -5.003 292 HH TYR 40 HH TYR 40 -6.779 1.748 -4.555 293 H ASP 41 HN ASP 41 -8.436 -5.014 -4.395 294 HA ASP 41 HA ASP 41 -8.708 -7.804 -3.524 295 HB2 ASP 41 HB2 ASP 41 -8.186 -6.644 -6.260 296 HB3 ASP 41 HB1 ASP 41 -8.190 -8.366 -5.886 297 H SER 42 HN SER 42 -6.925 -9.164 -3.991 298 HA SER 42 HA SER 42 -4.534 -8.148 -2.949 299 HB2 SER 42 HB2 SER 42 -5.071 -10.750 -4.364 300 HB3 SER 42 HB1 SER 42 -3.737 -10.408 -3.247 301 H LEU 43 HN LEU 43 -5.559 -8.918 -6.236 302 HA LEU 43 HA LEU 43 -3.029 -8.440 -7.439 303 HB2 LEU 43 HB2 LEU 43 -5.835 -8.479 -8.553 304 HB3 LEU 43 HB1 LEU 43 -4.475 -8.050 -9.557 305 HG LEU 43 HG LEU 43 -5.135 -10.347 -9.943 306 HD11 LEU 43 HD11 LEU 43 -3.003 -11.470 -9.609 307 HD12 LEU 43 HD12 LEU 43 -2.496 -10.167 -8.532 308 HD13 LEU 43 HD13 LEU 43 -2.819 -9.832 -10.233 309 HD21 LEU 43 HD21 LEU 43 -4.512 -10.855 -7.029 310 HD22 LEU 43 HD22 LEU 43 -4.886 -12.093 -8.228 311 HD23 LEU 43 HD23 LEU 43 -6.109 -10.908 -7.773 312 H ALA 44 HN ALA 44 -5.635 -6.433 -6.420 313 HA ALA 44 HA ALA 44 -4.741 -4.073 -7.759 314 HB1 ALA 44 HB1 ALA 44 -6.674 -4.383 -5.456 315 HB2 ALA 44 HB2 ALA 44 -7.111 -4.408 -7.165 316 HB3 ALA 44 HB3 ALA 44 -6.458 -2.939 -6.440 317 H LEU 45 HN LEU 45 -4.125 -5.675 -4.757 318 HA LEU 45 HA LEU 45 -2.813 -3.497 -3.474 319 HB2 LEU 45 HB2 LEU 45 -2.539 -6.454 -3.011 320 HB3 LEU 45 HB1 LEU 45 -1.915 -5.198 -1.959 321 HG LEU 45 HG LEU 45 -4.810 -5.746 -2.542 322 HD11 LEU 45 HD11 LEU 45 -4.902 -6.367 -0.179 323 HD12 LEU 45 HD12 LEU 45 -3.159 -6.113 -0.057 324 HD13 LEU 45 HD13 LEU 45 -3.792 -7.399 -1.085 325 HD21 LEU 45 HD21 LEU 45 -5.232 -4.012 -0.863 326 HD22 LEU 45 HD22 LEU 45 -4.394 -3.381 -2.282 327 HD23 LEU 45 HD23 LEU 45 -3.499 -3.684 -0.794 328 H MET 46 HN MET 46 -1.828 -6.146 -5.501 329 HA MET 46 HA MET 46 0.962 -5.682 -5.409 330 HB2 MET 46 HB2 MET 46 -0.711 -6.797 -7.676 331 HB3 MET 46 HB1 MET 46 1.037 -6.929 -7.547 332 HG2 MET 46 HG2 MET 46 0.881 -8.350 -5.656 333 HG3 MET 46 HG1 MET 46 -0.846 -8.058 -5.494 334 HE1 MET 46 HE1 MET 46 0.073 -11.003 -5.427 335 HE2 MET 46 HE2 MET 46 -0.980 -11.780 -6.610 336 HE3 MET 46 HE3 MET 46 -1.630 -10.555 -5.521 337 H GLU 47 HN GLU 47 -1.602 -4.490 -7.485 338 HA GLU 47 HA GLU 47 -0.188 -2.764 -9.171 339 HB2 GLU 47 HB2 GLU 47 -2.484 -3.382 -9.586 340 HB3 GLU 47 HB1 GLU 47 -3.001 -2.692 -8.069 341 HG2 GLU 47 HG2 GLU 47 -3.693 -1.338 -9.980 342 HG3 GLU 47 HG1 GLU 47 -2.624 -0.454 -8.901 343 H THR 48 HN THR 48 -1.281 -2.378 -5.901 344 HA THR 48 HA THR 48 -0.691 0.410 -5.731 345 HB THR 48 HB THR 48 -1.274 -1.643 -3.586 346 HG1 THR 48 HG1 THR 48 -3.053 -1.397 -4.928 347 HG21 THR 48 HG21 THR 48 -1.815 0.292 -2.180 348 HG22 THR 48 HG22 THR 48 -1.318 1.388 -3.472 349 HG23 THR 48 HG23 THR 48 -0.128 0.346 -2.686 350 H ALA 49 HN ALA 49 0.872 -2.587 -4.583 351 HA ALA 49 HA ALA 49 3.042 -1.287 -3.369 352 HB1 ALA 49 HB1 ALA 49 4.139 -3.467 -3.378 353 HB2 ALA 49 HB2 ALA 49 2.913 -4.093 -4.486 354 HB3 ALA 49 HB3 ALA 49 2.465 -3.596 -2.851 355 H ALA 50 HN ALA 50 2.663 -2.649 -6.635 356 HA ALA 50 HA ALA 50 5.266 -2.360 -7.546 357 HB1 ALA 50 HB1 ALA 50 4.380 -2.542 -9.780 358 HB2 ALA 50 HB2 ALA 50 2.766 -2.130 -9.201 359 HB3 ALA 50 HB3 ALA 50 3.524 -3.643 -8.699 360 H ARG 51 HN ARG 51 2.721 0.054 -7.505 361 HA ARG 51 HA ARG 51 4.077 1.909 -9.174 362 HB2 ARG 51 HB2 ARG 51 2.392 3.502 -8.553 363 HB3 ARG 51 HB1 ARG 51 1.610 1.943 -8.689 364 HG2 ARG 51 HG2 ARG 51 2.136 1.932 -6.061 365 HG3 ARG 51 HG1 ARG 51 2.009 3.672 -6.329 366 HD2 ARG 51 HD2 ARG 51 -0.067 1.580 -6.984 367 HD3 ARG 51 HD1 ARG 51 -0.145 2.771 -5.690 368 HE ARG 51 HE ARG 51 -0.447 4.437 -7.267 369 HH11 ARG 51 HH11 ARG 51 -0.719 1.140 -8.480 370 HH12 ARG 51 HH12 ARG 51 -1.408 1.498 -9.975 371 HH21 ARG 51 HH21 ARG 51 -1.333 5.049 -9.460 372 HH22 ARG 51 HH22 ARG 51 -1.819 3.827 -10.534 373 H LEU 52 HN LEU 52 4.214 1.164 -5.801 374 HA LEU 52 HA LEU 52 5.771 3.493 -5.110 375 HB2 LEU 52 HB2 LEU 52 5.135 1.019 -3.498 376 HB3 LEU 52 HB1 LEU 52 5.818 2.509 -2.876 377 HG LEU 52 HG LEU 52 3.042 2.162 -4.008 378 HD11 LEU 52 HD11 LEU 52 2.295 2.598 -1.728 379 HD12 LEU 52 HD12 LEU 52 3.972 2.641 -1.188 380 HD13 LEU 52 HD13 LEU 52 3.288 1.145 -1.828 381 HD21 LEU 52 HD21 LEU 52 4.368 4.609 -2.833 382 HD22 LEU 52 HD22 LEU 52 2.662 4.479 -3.261 383 HD23 LEU 52 HD23 LEU 52 3.899 4.381 -4.517 384 H GLU 53 HN GLU 53 6.178 0.069 -5.730 385 HA GLU 53 HA GLU 53 8.863 -0.308 -5.112 386 HB2 GLU 53 HB2 GLU 53 7.235 -1.517 -7.352 387 HB3 GLU 53 HB1 GLU 53 8.828 -2.074 -6.883 388 HG2 GLU 53 HG2 GLU 53 7.918 -2.619 -4.645 389 HG3 GLU 53 HG1 GLU 53 6.315 -2.165 -5.237 390 H SER 54 HN SER 54 7.387 0.525 -8.201 391 HA SER 54 HA SER 54 9.719 0.911 -9.661 392 HB2 SER 54 HB2 SER 54 7.426 0.551 -10.600 393 HB3 SER 54 HB1 SER 54 7.010 2.193 -10.121 394 HG SER 54 HG SER 54 9.280 1.758 -11.684 395 H ARG 55 HN ARG 55 8.190 2.940 -7.347 396 HA ARG 55 HA ARG 55 9.432 5.351 -8.339 397 HB2 ARG 55 HB2 ARG 55 7.179 5.466 -7.326 398 HB3 ARG 55 HB1 ARG 55 7.837 4.858 -5.825 399 HG2 ARG 55 HG2 ARG 55 7.402 7.300 -5.841 400 HG3 ARG 55 HG1 ARG 55 9.067 6.865 -5.455 401 HD2 ARG 55 HD2 ARG 55 8.851 8.792 -7.013 402 HD3 ARG 55 HD1 ARG 55 9.795 7.450 -7.654 403 HE ARG 55 HE ARG 55 7.001 7.423 -8.380 404 HH11 ARG 55 HH11 ARG 55 10.233 8.561 -9.285 405 HH12 ARG 55 HH12 ARG 55 9.873 8.678 -10.935 406 HH21 ARG 55 HH21 ARG 55 6.524 7.532 -10.595 407 HH22 ARG 55 HH22 ARG 55 7.668 8.096 -11.716 408 H TYR 56 HN TYR 56 9.717 3.361 -5.378 409 HA TYR 56 HA TYR 56 12.069 4.977 -4.752 410 HB2 TYR 56 HB2 TYR 56 10.350 3.331 -2.916 411 HB3 TYR 56 HB1 TYR 56 11.816 4.172 -2.413 412 HD1 TYR 56 HD1 TYR 56 11.893 6.726 -2.804 413 HD2 TYR 56 HD2 TYR 56 8.311 4.445 -2.943 414 HE1 TYR 56 HE1 TYR 56 10.590 8.763 -2.393 415 HE2 TYR 56 HE2 TYR 56 6.991 6.473 -2.554 416 HH TYR 56 HH TYR 56 8.075 9.513 -2.920 417 H GLY 57 HN GLY 57 11.453 1.847 -5.881 418 HA2 GLY 57 HA2 GLY 57 13.122 0.374 -6.530 419 HA3 GLY 57 HA1 GLY 57 14.272 1.257 -5.539 420 H VAL 58 HN VAL 58 11.215 -0.004 -4.450 421 HA VAL 58 HA VAL 58 12.622 -1.829 -2.626 422 HB VAL 58 HB VAL 58 11.145 -0.253 -1.471 423 HG11 VAL 58 HG11 VAL 58 9.675 0.375 -3.281 424 HG12 VAL 58 HG12 VAL 58 8.738 -0.127 -1.873 425 HG13 VAL 58 HG13 VAL 58 8.917 -1.219 -3.247 426 HG21 VAL 58 HG21 VAL 58 9.597 -1.762 -0.316 427 HG22 VAL 58 HG22 VAL 58 11.189 -2.494 -0.537 428 HG23 VAL 58 HG23 VAL 58 9.849 -2.970 -1.576 429 H SER 59 HN SER 59 12.254 -4.083 -2.850 430 HA SER 59 HA SER 59 10.666 -4.734 -5.202 431 HB2 SER 59 HB2 SER 59 12.026 -6.870 -5.206 432 HB3 SER 59 HB1 SER 59 12.947 -5.394 -5.493 433 HG SER 59 HG SER 59 12.990 -7.190 -3.436 434 H ILE 60 HN ILE 60 8.677 -5.383 -4.762 435 HA ILE 60 HA ILE 60 8.306 -7.094 -2.412 436 HB ILE 60 HB ILE 60 6.323 -5.126 -3.607 437 HG12 ILE 60 HG12 ILE 60 7.747 -5.105 -0.932 438 HG13 ILE 60 HG11 ILE 60 8.113 -4.050 -2.290 439 HG21 ILE 60 HG21 ILE 60 4.862 -5.739 -1.727 440 HG22 ILE 60 HG22 ILE 60 6.034 -6.957 -1.225 441 HG23 ILE 60 HG23 ILE 60 5.195 -7.125 -2.769 442 HD11 ILE 60 HD11 ILE 60 6.800 -2.904 -0.600 443 HD12 ILE 60 HD12 ILE 60 5.533 -4.119 -0.746 444 HD13 ILE 60 HD13 ILE 60 5.891 -3.052 -2.104 445 HA PRO 61 HA PRO 61 7.271 -10.021 -5.710 446 HB2 PRO 61 HB2 PRO 61 6.742 -11.614 -3.245 447 HB3 PRO 61 HB1 PRO 61 7.658 -12.057 -4.691 448 HG2 PRO 61 HG2 PRO 61 8.929 -11.440 -2.459 449 HG3 PRO 61 HG1 PRO 61 9.538 -10.863 -4.023 450 HD2 PRO 61 HD2 PRO 61 8.016 -9.384 -1.916 451 HD3 PRO 61 HD1 PRO 61 9.384 -8.839 -2.914 452 H ASP 62 HN ASP 62 5.357 -11.028 -6.310 453 HA ASP 62 HA ASP 62 3.049 -9.489 -5.868 454 HB2 ASP 62 HB2 ASP 62 3.194 -12.268 -7.066 455 HB3 ASP 62 HB1 ASP 62 1.854 -11.141 -7.224 456 H ASP 63 HN ASP 63 4.025 -12.630 -4.682 457 HA ASP 63 HA ASP 63 1.706 -13.438 -3.326 458 HB2 ASP 63 HB2 ASP 63 4.571 -13.909 -2.477 459 HB3 ASP 63 HB1 ASP 63 3.180 -14.720 -1.780 460 H VAL 64 HN VAL 64 4.347 -11.473 -2.219 461 HA VAL 64 HA VAL 64 3.630 -11.142 0.474 462 HB VAL 64 HB VAL 64 5.051 -9.210 -1.352 463 HG11 VAL 64 HG11 VAL 64 5.139 -9.521 1.657 464 HG12 VAL 64 HG12 VAL 64 4.388 -8.196 0.763 465 HG13 VAL 64 HG13 VAL 64 6.138 -8.409 0.717 466 HG21 VAL 64 HG21 VAL 64 6.100 -11.389 -1.422 467 HG22 VAL 64 HG22 VAL 64 6.164 -11.438 0.341 468 HG23 VAL 64 HG23 VAL 64 7.124 -10.251 -0.545 469 H ALA 65 HN ALA 65 3.200 -8.930 -2.263 470 HA ALA 65 HA ALA 65 1.688 -6.991 -0.934 471 HB1 ALA 65 HB1 ALA 65 1.669 -7.654 -3.866 472 HB2 ALA 65 HB2 ALA 65 2.846 -6.618 -3.056 473 HB3 ALA 65 HB3 ALA 65 1.148 -6.135 -3.133 474 H GLY 66 HN GLY 66 0.688 -9.933 -2.567 475 HA2 GLY 66 HA2 GLY 66 -2.105 -9.222 -2.514 476 HA3 GLY 66 HA1 GLY 66 -1.427 -10.768 -2.993 477 H ARG 67 HN ARG 67 -0.047 -10.303 -0.114 478 HA ARG 67 HA ARG 67 -2.219 -11.777 1.184 479 HB2 ARG 67 HB2 ARG 67 0.734 -11.880 1.661 480 HB3 ARG 67 HB1 ARG 67 -0.438 -12.577 2.766 481 HG2 ARG 67 HG2 ARG 67 -1.255 -14.016 0.921 482 HG3 ARG 67 HG1 ARG 67 0.016 -13.350 -0.112 483 HD2 ARG 67 HD2 ARG 67 0.685 -15.496 0.896 484 HD3 ARG 67 HD1 ARG 67 1.722 -14.162 1.420 485 HE ARG 67 HE ARG 67 -0.524 -15.174 3.029 486 HH11 ARG 67 HH11 ARG 67 2.935 -14.366 2.775 487 HH12 ARG 67 HH12 ARG 67 3.175 -14.364 4.462 488 HH21 ARG 67 HH21 ARG 67 -0.174 -15.077 5.332 489 HH22 ARG 67 HH22 ARG 67 1.378 -14.742 5.953 490 H VAL 68 HN VAL 68 -1.085 -8.736 1.240 491 HA VAL 68 HA VAL 68 -1.100 -8.439 4.102 492 HB VAL 68 HB VAL 68 -0.894 -5.979 3.696 493 HG11 VAL 68 HG11 VAL 68 1.362 -6.058 2.727 494 HG12 VAL 68 HG12 VAL 68 1.052 -7.703 2.174 495 HG13 VAL 68 HG13 VAL 68 1.090 -7.346 3.900 496 HG21 VAL 68 HG21 VAL 68 -0.486 -5.167 1.413 497 HG22 VAL 68 HG22 VAL 68 -2.117 -5.827 1.581 498 HG23 VAL 68 HG23 VAL 68 -0.858 -6.775 0.790 499 H ASP 69 HN ASP 69 -2.709 -7.808 5.402 500 HA ASP 69 HA ASP 69 -5.378 -7.804 4.192 501 HB2 ASP 69 HB2 ASP 69 -5.046 -9.451 5.943 502 HB3 ASP 69 HB1 ASP 69 -4.445 -8.219 7.037 503 H THR 70 HN THR 70 -3.308 -5.966 6.289 504 HA THR 70 HA THR 70 -5.204 -3.741 6.088 505 HB THR 70 HB THR 70 -4.119 -2.902 8.215 506 HG1 THR 70 HG1 THR 70 -2.869 -5.453 7.993 507 HG21 THR 70 HG21 THR 70 -5.349 -4.460 9.677 508 HG22 THR 70 HG22 THR 70 -5.487 -5.593 8.329 509 HG23 THR 70 HG23 THR 70 -6.293 -4.028 8.251 510 HA PRO 71 HA PRO 71 -2.227 -1.394 3.787 511 HB2 PRO 71 HB2 PRO 71 -3.054 0.905 5.487 512 HB3 PRO 71 HB1 PRO 71 -3.028 0.757 3.724 513 HG2 PRO 71 HG2 PRO 71 -5.324 0.647 5.024 514 HG3 PRO 71 HG1 PRO 71 -5.006 -0.450 3.663 515 HD2 PRO 71 HD2 PRO 71 -4.902 -1.000 6.605 516 HD3 PRO 71 HD1 PRO 71 -5.560 -2.002 5.296 517 H ARG 72 HN ARG 72 -2.257 -1.238 7.256 518 HA ARG 72 HA ARG 72 0.139 0.051 7.830 519 HB2 ARG 72 HB2 ARG 72 -1.516 -0.608 9.508 520 HB3 ARG 72 HB1 ARG 72 -1.165 -2.301 9.207 521 HG2 ARG 72 HG2 ARG 72 1.066 -2.011 10.119 522 HG3 ARG 72 HG1 ARG 72 0.755 -0.289 10.369 523 HD2 ARG 72 HD2 ARG 72 -0.794 -2.550 11.631 524 HD3 ARG 72 HD1 ARG 72 0.456 -1.595 12.430 525 HE ARG 72 HE ARG 72 -1.016 0.362 12.014 526 HH11 ARG 72 HH11 ARG 72 -2.573 -2.873 12.091 527 HH12 ARG 72 HH12 ARG 72 -4.023 -2.243 12.752 528 HH21 ARG 72 HH21 ARG 72 -3.059 1.105 12.895 529 HH22 ARG 72 HH22 ARG 72 -4.266 -0.036 13.262 530 H GLU 73 HN GLU 73 -0.533 -3.256 6.893 531 HA GLU 73 HA GLU 73 2.086 -4.286 7.248 532 HB2 GLU 73 HB2 GLU 73 -0.220 -5.244 5.569 533 HB3 GLU 73 HB1 GLU 73 1.236 -6.166 5.912 534 HG2 GLU 73 HG2 GLU 73 0.699 -6.262 8.234 535 HG3 GLU 73 HG1 GLU 73 -0.665 -5.162 8.004 536 H LEU 74 HN LEU 74 0.250 -3.072 4.493 537 HA LEU 74 HA LEU 74 2.167 -3.605 2.460 538 HB2 LEU 74 HB2 LEU 74 -0.395 -2.904 2.387 539 HB3 LEU 74 HB1 LEU 74 0.250 -1.283 2.336 540 HG LEU 74 HG LEU 74 0.659 -3.455 0.250 541 HD11 LEU 74 HD11 LEU 74 -1.546 -2.558 0.222 542 HD12 LEU 74 HD12 LEU 74 -0.635 -2.019 -1.190 543 HD13 LEU 74 HD13 LEU 74 -0.910 -0.914 0.155 544 HD21 LEU 74 HD21 LEU 74 1.768 -1.745 -1.111 545 HD22 LEU 74 HD22 LEU 74 2.659 -2.011 0.390 546 HD23 LEU 74 HD23 LEU 74 1.636 -0.589 0.215 547 H LEU 75 HN LEU 75 1.468 -0.748 4.442 548 HA LEU 75 HA LEU 75 3.434 0.986 3.422 549 HB2 LEU 75 HB2 LEU 75 1.535 1.688 4.840 550 HB3 LEU 75 HB1 LEU 75 2.240 0.842 6.197 551 HG LEU 75 HG LEU 75 4.192 2.419 6.071 552 HD11 LEU 75 HD11 LEU 75 2.439 3.873 4.111 553 HD12 LEU 75 HD12 LEU 75 3.988 3.109 3.766 554 HD13 LEU 75 HD13 LEU 75 3.915 4.501 4.839 555 HD21 LEU 75 HD21 LEU 75 1.476 3.653 6.500 556 HD22 LEU 75 HD22 LEU 75 3.002 4.292 7.107 557 HD23 LEU 75 HD23 LEU 75 2.399 2.738 7.690 558 H ASP 76 HN ASP 76 3.465 -1.422 5.977 559 HA ASP 76 HA ASP 76 5.994 -0.829 7.079 560 HB2 ASP 76 HB2 ASP 76 4.246 -2.203 8.207 561 HB3 ASP 76 HB1 ASP 76 4.592 -3.508 7.078 562 H LEU 77 HN LEU 77 4.979 -3.019 4.470 563 HA LEU 77 HA LEU 77 7.343 -4.350 3.975 564 HB2 LEU 77 HB2 LEU 77 5.243 -3.356 2.059 565 HB3 LEU 77 HB1 LEU 77 6.455 -4.549 1.688 566 HG LEU 77 HG LEU 77 4.243 -4.878 3.694 567 HD11 LEU 77 HD11 LEU 77 3.429 -4.822 1.407 568 HD12 LEU 77 HD12 LEU 77 3.325 -6.453 2.064 569 HD13 LEU 77 HD13 LEU 77 4.615 -6.037 0.937 570 HD21 LEU 77 HD21 LEU 77 4.960 -7.221 3.759 571 HD22 LEU 77 HD22 LEU 77 6.246 -6.144 4.303 572 HD23 LEU 77 HD23 LEU 77 6.303 -6.842 2.682 573 H ILE 78 HN ILE 78 6.112 -1.297 2.762 574 HA ILE 78 HA ILE 78 8.250 -0.612 1.040 575 HB ILE 78 HB ILE 78 6.309 1.193 2.518 576 HG12 ILE 78 HG12 ILE 78 5.137 -0.456 1.114 577 HG13 ILE 78 HG11 ILE 78 4.956 1.171 0.475 578 HG21 ILE 78 HG21 ILE 78 6.769 2.834 0.758 579 HG22 ILE 78 HG22 ILE 78 7.993 1.756 0.086 580 HG23 ILE 78 HG23 ILE 78 8.210 2.441 1.696 581 HD11 ILE 78 HD11 ILE 78 6.834 -0.941 -0.558 582 HD12 ILE 78 HD12 ILE 78 6.663 0.688 -1.211 583 HD13 ILE 78 HD13 ILE 78 5.314 -0.445 -1.299 584 H ASN 79 HN ASN 79 7.346 0.723 4.207 585 HA ASN 79 HA ASN 79 9.569 2.323 4.641 586 HB2 ASN 79 HB2 ASN 79 7.802 0.977 6.698 587 HB3 ASN 79 HB1 ASN 79 9.011 2.188 7.088 588 HD21 ASN 79 HD21 ASN 79 8.434 3.849 4.727 589 HD22 ASN 79 HD22 ASN 79 6.894 4.569 5.037 590 H GLY 80 HN GLY 80 9.083 -1.051 5.674 591 HA2 GLY 80 HA2 GLY 80 11.423 -1.271 7.188 592 HA3 GLY 80 HA1 GLY 80 10.508 -2.594 6.486 593 H ALA 81 HN ALA 81 10.829 -2.111 3.785 594 HA ALA 81 HA ALA 81 13.457 -3.180 3.447 595 HB1 ALA 81 HB1 ALA 81 11.487 -2.328 1.332 596 HB2 ALA 81 HB2 ALA 81 11.574 -3.925 2.075 597 HB3 ALA 81 HB3 ALA 81 12.910 -3.340 1.086 598 H LEU 82 HN LEU 82 11.980 -0.055 2.811 599 HA LEU 82 HA LEU 82 14.277 0.945 1.438 600 HB2 LEU 82 HB2 LEU 82 11.977 2.450 2.669 601 HB3 LEU 82 HB1 LEU 82 13.199 3.153 1.631 602 HG LEU 82 HG LEU 82 11.146 1.096 0.845 603 HD11 LEU 82 HD11 LEU 82 11.466 3.996 0.108 604 HD12 LEU 82 HD12 LEU 82 10.227 3.305 1.156 605 HD13 LEU 82 HD13 LEU 82 10.267 2.889 -0.560 606 HD21 LEU 82 HD21 LEU 82 13.283 2.423 -0.837 607 HD22 LEU 82 HD22 LEU 82 12.003 1.371 -1.438 608 HD23 LEU 82 HD23 LEU 82 13.243 0.725 -0.363 609 H ALA 83 HN ALA 83 13.446 0.543 4.716 610 HA ALA 83 HA ALA 83 15.182 2.512 5.821 611 HB1 ALA 83 HB1 ALA 83 14.894 1.285 7.923 612 HB2 ALA 83 HB2 ALA 83 14.139 -0.048 7.047 613 HB3 ALA 83 HB3 ALA 83 13.343 1.525 7.115 614 H GLU 84 HN GLU 84 15.584 -0.560 4.428 615 HA GLU 84 HA GLU 84 18.240 -0.985 5.511 616 HB2 GLU 84 HB2 GLU 84 16.689 -2.477 3.364 617 HB3 GLU 84 HB1 GLU 84 18.266 -2.941 3.981 618 HG2 GLU 84 HG2 GLU 84 15.708 -2.811 5.545 619 HG3 GLU 84 HG1 GLU 84 16.476 -4.268 4.917 620 H ALA 85 HN ALA 85 16.899 -0.868 2.260 621 HA ALA 85 HA ALA 85 18.141 1.233 1.088 622 HB1 ALA 85 HB1 ALA 85 20.339 0.182 1.557 623 HB2 ALA 85 HB2 ALA 85 20.015 0.201 -0.173 624 HB3 ALA 85 HB3 ALA 85 19.811 -1.291 0.746 625 H ALA 86 HN ALA 86 18.044 -2.231 0.402 626 HA ALA 86 HA ALA 86 15.730 -1.997 -1.254 627 HB1 ALA 86 HB1 ALA 86 18.402 -2.977 -2.309 628 HB2 ALA 86 HB2 ALA 86 17.546 -1.537 -2.857 629 HB3 ALA 86 HB3 ALA 86 16.857 -3.138 -3.147 630 H282 PNS 87 H28A PNS 87 -4.697 -12.788 -2.019 631 H281 PNS 87 H28B PNS 87 -6.012 -13.839 -1.481 632 H303 PNS 87 H30A PNS 87 -6.547 -15.896 -2.723 633 H302 PNS 87 H30B PNS 87 -5.658 -16.332 -4.183 634 H301 PNS 87 H30C PNS 87 -6.751 -14.948 -4.194 635 H313 PNS 87 H31A PNS 87 -4.906 -13.483 -5.008 636 H312 PNS 87 H31B PNS 87 -3.785 -14.845 -4.990 637 H311 PNS 87 H31C PNS 87 -3.400 -13.378 -4.092 638 H32 PNS 87 H32A PNS 87 -3.079 -14.774 -1.963 639 H33 PNS 87 H33A PNS 87 -3.606 -16.420 -4.044 640 H36 PNS 87 H36A PNS 87 -3.464 -17.703 -1.700 641 H372 PNS 87 H37A PNS 87 -3.716 -18.412 0.743 642 H371 PNS 87 H37B PNS 87 -5.407 -17.931 0.518 643 H382 PNS 87 H38A PNS 87 -3.967 -20.047 -1.116 644 H381 PNS 87 H38B PNS 87 -4.904 -20.377 0.314 645 H41 PNS 87 H41A PNS 87 -5.491 -21.563 -2.040 646 H422 PNS 87 H42A PNS 87 -8.173 -21.582 -2.309 647 H421 PNS 87 H42B PNS 87 -7.689 -20.304 -3.417 648 H431 PNS 87 H43A PNS 87 -7.883 -22.392 -4.607 649 H432 PNS 87 H43B PNS 87 -6.775 -23.159 -3.475 650 H44 PNS 87 H1 PNS 87 -5.926 -20.608 -5.584 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 17.723 5.761 4.749 2 H2 MET 1 HT2 MET 1 19.346 5.435 4.536 3 H3 MET 1 HT3 MET 1 18.199 4.643 3.566 4 HA MET 1 HA MET 1 18.827 7.549 3.654 5 HB2 MET 1 HB2 MET 1 20.541 6.190 2.501 6 HB3 MET 1 HB1 MET 1 19.298 5.536 1.445 7 HG2 MET 1 HG2 MET 1 18.870 7.788 0.575 8 HG3 MET 1 HG1 MET 1 20.142 8.420 1.617 9 HE1 MET 1 HE1 MET 1 20.111 5.012 -0.387 10 HE2 MET 1 HE2 MET 1 20.882 5.504 -1.897 11 HE3 MET 1 HE3 MET 1 19.296 6.145 -1.464 12 H ALA 2 HN ALA 2 16.826 4.940 2.309 13 HA ALA 2 HA ALA 2 15.407 6.494 0.487 14 HB1 ALA 2 HB1 ALA 2 14.541 3.981 1.908 15 HB2 ALA 2 HB2 ALA 2 15.485 4.048 0.420 16 HB3 ALA 2 HB3 ALA 2 13.828 4.651 0.441 17 H THR 3 HN THR 3 13.573 7.600 0.608 18 HA THR 3 HA THR 3 12.827 8.598 3.171 19 HB THR 3 HB THR 3 11.191 9.946 1.752 20 HG1 THR 3 HG1 THR 3 12.089 9.805 -0.601 21 HG21 THR 3 HG21 THR 3 14.108 10.037 0.965 22 HG22 THR 3 HG22 THR 3 13.395 10.830 2.371 23 HG23 THR 3 HG23 THR 3 12.948 11.344 0.745 24 H LEU 4 HN LEU 4 11.636 7.309 4.420 25 HA LEU 4 HA LEU 4 9.844 5.249 3.548 26 HB2 LEU 4 HB2 LEU 4 9.600 6.691 6.170 27 HB3 LEU 4 HB1 LEU 4 9.246 5.037 5.739 28 HG LEU 4 HG LEU 4 12.017 6.199 6.039 29 HD11 LEU 4 HD11 LEU 4 10.503 4.286 7.784 30 HD12 LEU 4 HD12 LEU 4 10.927 5.957 8.158 31 HD13 LEU 4 HD13 LEU 4 12.194 4.744 7.986 32 HD21 LEU 4 HD21 LEU 4 11.252 3.311 5.544 33 HD22 LEU 4 HD22 LEU 4 12.877 3.962 5.726 34 HD23 LEU 4 HD23 LEU 4 11.903 4.407 4.328 35 H LEU 5 HN LEU 5 8.024 5.463 2.646 36 HA LEU 5 HA LEU 5 6.876 7.989 2.164 37 HB2 LEU 5 HB2 LEU 5 5.054 6.788 1.021 38 HB3 LEU 5 HB1 LEU 5 6.629 6.254 0.505 39 HG LEU 5 HG LEU 5 6.233 4.258 2.130 40 HD11 LEU 5 HD11 LEU 5 3.394 5.157 1.746 41 HD12 LEU 5 HD12 LEU 5 4.285 5.106 3.266 42 HD13 LEU 5 HD13 LEU 5 3.912 3.609 2.414 43 HD21 LEU 5 HD21 LEU 5 6.352 4.057 -0.277 44 HD22 LEU 5 HD22 LEU 5 4.662 4.542 -0.413 45 HD23 LEU 5 HD23 LEU 5 5.083 3.023 0.376 46 H THR 6 HN THR 6 5.108 8.979 2.945 47 HA THR 6 HA THR 6 4.529 8.253 5.673 48 HB THR 6 HB THR 6 3.281 10.405 5.733 49 HG1 THR 6 HG1 THR 6 4.209 10.625 3.027 50 HG21 THR 6 HG21 THR 6 5.675 10.367 6.296 51 HG22 THR 6 HG22 THR 6 5.251 11.875 5.486 52 HG23 THR 6 HG23 THR 6 6.084 10.598 4.598 53 H THR 7 HN THR 7 2.045 8.957 6.191 54 HA THR 7 HA THR 7 0.453 6.895 5.135 55 HB THR 7 HB THR 7 -0.410 9.381 6.648 56 HG1 THR 7 HG1 THR 7 1.066 8.497 7.942 57 HG21 THR 7 HG21 THR 7 -1.606 6.597 6.506 58 HG22 THR 7 HG22 THR 7 -2.262 8.033 5.724 59 HG23 THR 7 HG23 THR 7 -2.216 7.931 7.483 60 H ASP 8 HN ASP 8 0.934 10.270 4.388 61 HA ASP 8 HA ASP 8 -1.292 10.630 2.652 62 HB2 ASP 8 HB2 ASP 8 -0.163 12.552 3.613 63 HB3 ASP 8 HB1 ASP 8 1.340 12.101 2.802 64 H ASP 9 HN ASP 9 2.078 9.771 2.171 65 HA ASP 9 HA ASP 9 2.042 9.652 -0.658 66 HB2 ASP 9 HB2 ASP 9 3.785 8.129 1.275 67 HB3 ASP 9 HB1 ASP 9 3.995 8.144 -0.469 68 H LEU 10 HN LEU 10 1.552 7.219 1.811 69 HA LEU 10 HA LEU 10 1.123 5.032 0.117 70 HB2 LEU 10 HB2 LEU 10 1.501 4.864 2.537 71 HB3 LEU 10 HB1 LEU 10 -0.052 5.618 2.826 72 HG LEU 10 HG LEU 10 -1.154 3.673 1.763 73 HD11 LEU 10 HD11 LEU 10 0.671 2.928 0.334 74 HD12 LEU 10 HD12 LEU 10 0.129 1.629 1.396 75 HD13 LEU 10 HD13 LEU 10 1.624 2.495 1.754 76 HD21 LEU 10 HD21 LEU 10 -0.730 2.143 3.644 77 HD22 LEU 10 HD22 LEU 10 -0.918 3.822 4.161 78 HD23 LEU 10 HD23 LEU 10 0.691 3.106 4.062 79 H ARG 11 HN ARG 11 -1.108 7.344 1.594 80 HA ARG 11 HA ARG 11 -3.508 6.391 0.659 81 HB2 ARG 11 HB2 ARG 11 -3.376 8.182 2.293 82 HB3 ARG 11 HB1 ARG 11 -2.682 9.249 1.079 83 HG2 ARG 11 HG2 ARG 11 -4.750 9.167 -0.199 84 HG3 ARG 11 HG1 ARG 11 -5.447 8.067 0.989 85 HD2 ARG 11 HD2 ARG 11 -6.221 10.345 1.340 86 HD3 ARG 11 HD1 ARG 11 -5.250 9.788 2.703 87 HE ARG 11 HE ARG 11 -3.391 11.072 1.620 88 HH11 ARG 11 HH11 ARG 11 -6.742 11.992 0.972 89 HH12 ARG 11 HH12 ARG 11 -6.416 13.671 0.925 90 HH21 ARG 11 HH21 ARG 11 -2.919 13.372 1.502 91 HH22 ARG 11 HH22 ARG 11 -4.184 14.457 1.210 92 H ARG 12 HN ARG 12 -1.491 8.916 -0.935 93 HA ARG 12 HA ARG 12 -3.249 9.171 -3.092 94 HB2 ARG 12 HB2 ARG 12 -1.371 10.218 -4.369 95 HB3 ARG 12 HB1 ARG 12 -1.702 10.937 -2.801 96 HG2 ARG 12 HG2 ARG 12 0.149 9.855 -1.858 97 HG3 ARG 12 HG1 ARG 12 0.481 8.950 -3.336 98 HD2 ARG 12 HD2 ARG 12 0.963 11.005 -4.540 99 HD3 ARG 12 HD1 ARG 12 0.521 11.968 -3.133 100 HE ARG 12 HE ARG 12 2.460 10.760 -2.037 101 HH11 ARG 12 HH11 ARG 12 2.423 11.591 -5.488 102 HH12 ARG 12 HH12 ARG 12 4.113 11.735 -5.621 103 HH21 ARG 12 HH21 ARG 12 4.747 11.030 -2.182 104 HH22 ARG 12 HH22 ARG 12 5.471 11.454 -3.682 105 H ALA 13 HN ALA 13 -0.666 6.916 -2.622 106 HA ALA 13 HA ALA 13 -0.627 5.995 -5.331 107 HB1 ALA 13 HB1 ALA 13 0.856 4.263 -4.505 108 HB2 ALA 13 HB2 ALA 13 0.473 4.714 -2.842 109 HB3 ALA 13 HB3 ALA 13 1.331 5.844 -3.889 110 H LEU 14 HN LEU 14 -2.228 5.014 -2.378 111 HA LEU 14 HA LEU 14 -3.233 2.595 -3.529 112 HB2 LEU 14 HB2 LEU 14 -2.698 2.758 -1.240 113 HB3 LEU 14 HB1 LEU 14 -3.874 4.035 -0.946 114 HG LEU 14 HG LEU 14 -5.666 2.328 -1.499 115 HD11 LEU 14 HD11 LEU 14 -4.294 0.779 -2.780 116 HD12 LEU 14 HD12 LEU 14 -5.055 -0.029 -1.409 117 HD13 LEU 14 HD13 LEU 14 -3.349 0.412 -1.337 118 HD21 LEU 14 HD21 LEU 14 -3.845 1.672 0.816 119 HD22 LEU 14 HD22 LEU 14 -5.550 1.232 0.671 120 HD23 LEU 14 HD23 LEU 14 -5.087 2.923 0.802 121 H VAL 15 HN VAL 15 -4.406 5.863 -3.008 122 HA VAL 15 HA VAL 15 -7.054 5.404 -3.916 123 HB VAL 15 HB VAL 15 -5.415 7.989 -3.954 124 HG11 VAL 15 HG11 VAL 15 -7.531 9.191 -4.210 125 HG12 VAL 15 HG12 VAL 15 -8.392 7.659 -4.343 126 HG13 VAL 15 HG13 VAL 15 -7.237 8.130 -5.590 127 HG21 VAL 15 HG21 VAL 15 -7.553 7.037 -2.050 128 HG22 VAL 15 HG22 VAL 15 -6.747 8.605 -1.998 129 HG23 VAL 15 HG23 VAL 15 -5.824 7.130 -1.714 130 H GLU 16 HN GLU 16 -4.017 5.897 -5.500 131 HA GLU 16 HA GLU 16 -4.760 6.612 -8.082 132 HB2 GLU 16 HB2 GLU 16 -2.441 6.541 -7.185 133 HB3 GLU 16 HB1 GLU 16 -2.501 4.792 -7.242 134 HG2 GLU 16 HG2 GLU 16 -1.255 5.583 -9.113 135 HG3 GLU 16 HG1 GLU 16 -2.783 4.930 -9.699 136 H SER 17 HN SER 17 -4.201 3.293 -6.780 137 HA SER 17 HA SER 17 -5.037 2.018 -9.166 138 HB2 SER 17 HB2 SER 17 -5.094 0.735 -6.404 139 HB3 SER 17 HB1 SER 17 -4.857 -0.024 -7.967 140 HG SER 17 HG SER 17 -3.048 0.548 -6.408 141 H ALA 18 HN ALA 18 -6.687 3.048 -6.262 142 HA ALA 18 HA ALA 18 -9.073 1.591 -6.545 143 HB1 ALA 18 HB1 ALA 18 -8.641 4.178 -5.065 144 HB2 ALA 18 HB2 ALA 18 -8.317 2.566 -4.430 145 HB3 ALA 18 HB3 ALA 18 -9.969 3.040 -4.831 146 H GLY 19 HN GLY 19 -7.991 4.395 -8.174 147 HA2 GLY 19 HA2 GLY 19 -10.452 5.690 -8.646 148 HA3 GLY 19 HA1 GLY 19 -9.010 5.851 -9.632 149 H GLU 20 HN GLU 20 -8.945 2.968 -10.255 150 HA GLU 20 HA GLU 20 -10.946 3.063 -12.388 151 HB2 GLU 20 HB2 GLU 20 -8.542 1.246 -12.077 152 HB3 GLU 20 HB1 GLU 20 -9.597 1.323 -13.477 153 HG2 GLU 20 HG2 GLU 20 -7.787 3.528 -12.493 154 HG3 GLU 20 HG1 GLU 20 -7.498 2.482 -13.877 155 H THR 21 HN THR 21 -11.081 2.087 -9.426 156 HA THR 21 HA THR 21 -12.807 -0.128 -10.013 157 HB THR 21 HB THR 21 -10.689 -1.296 -9.585 158 HG1 THR 21 HG1 THR 21 -12.703 -2.075 -8.593 159 HG21 THR 21 HG21 THR 21 -9.484 -1.132 -7.442 160 HG22 THR 21 HG22 THR 21 -10.576 0.158 -6.939 161 HG23 THR 21 HG23 THR 21 -9.494 0.404 -8.309 162 H ASP 22 HN ASP 22 -12.804 -0.597 -6.989 163 HA ASP 22 HA ASP 22 -14.636 1.596 -6.365 164 HB2 ASP 22 HB2 ASP 22 -14.134 -1.035 -4.966 165 HB3 ASP 22 HB1 ASP 22 -15.185 0.219 -4.335 166 H GLY 23 HN GLY 23 -14.547 2.440 -4.133 167 HA2 GLY 23 HA2 GLY 23 -12.227 2.162 -2.615 168 HA3 GLY 23 HA1 GLY 23 -12.236 3.670 -3.542 169 H THR 24 HN THR 24 -12.536 4.950 -1.845 170 HA THR 24 HA THR 24 -15.086 5.691 -1.166 171 HB THR 24 HB THR 24 -15.222 3.574 0.164 172 HG1 THR 24 HG1 THR 24 -16.477 4.979 1.126 173 HG21 THR 24 HG21 THR 24 -12.915 4.708 1.775 174 HG22 THR 24 HG22 THR 24 -12.853 3.282 0.739 175 HG23 THR 24 HG23 THR 24 -13.841 3.268 2.199 176 H ASP 25 HN ASP 25 -14.475 6.659 1.466 177 HA ASP 25 HA ASP 25 -12.586 8.748 0.777 178 HB2 ASP 25 HB2 ASP 25 -14.693 9.175 2.138 179 HB3 ASP 25 HB1 ASP 25 -13.932 8.283 3.455 180 H LEU 26 HN LEU 26 -10.530 8.251 0.903 181 HA LEU 26 HA LEU 26 -9.714 6.157 2.812 182 HB2 LEU 26 HB2 LEU 26 -9.649 5.711 0.321 183 HB3 LEU 26 HB1 LEU 26 -8.404 6.936 0.209 184 HG LEU 26 HG LEU 26 -6.948 5.555 1.654 185 HD11 LEU 26 HD11 LEU 26 -9.171 3.525 1.418 186 HD12 LEU 26 HD12 LEU 26 -8.688 4.364 2.890 187 HD13 LEU 26 HD13 LEU 26 -7.576 3.235 2.115 188 HD21 LEU 26 HD21 LEU 26 -6.805 5.397 -0.776 189 HD22 LEU 26 HD22 LEU 26 -8.050 4.147 -0.772 190 HD23 LEU 26 HD23 LEU 26 -6.484 3.837 -0.020 191 H SER 27 HN SER 27 -9.903 9.069 3.210 192 HA SER 27 HA SER 27 -7.079 9.760 3.581 193 HB2 SER 27 HB2 SER 27 -8.535 11.311 2.240 194 HB3 SER 27 HB1 SER 27 -9.515 11.547 3.686 195 HG SER 27 HG SER 27 -8.160 13.003 4.241 196 H GLY 28 HN GLY 28 -6.569 10.788 5.700 197 HA2 GLY 28 HA2 GLY 28 -6.892 11.130 7.956 198 HA3 GLY 28 HA1 GLY 28 -8.515 10.480 7.801 199 H ASP 29 HN ASP 29 -8.870 8.581 8.723 200 HA ASP 29 HA ASP 29 -6.555 6.982 9.583 201 HB2 ASP 29 HB2 ASP 29 -7.867 7.736 11.444 202 HB3 ASP 29 HB1 ASP 29 -9.364 7.257 10.658 203 H PHE 30 HN PHE 30 -6.218 5.187 8.435 204 HA PHE 30 HA PHE 30 -8.463 3.558 7.611 205 HB2 PHE 30 HB2 PHE 30 -7.978 3.589 5.213 206 HB3 PHE 30 HB1 PHE 30 -8.399 5.195 5.789 207 HD1 PHE 30 HD1 PHE 30 -6.569 6.906 6.065 208 HD2 PHE 30 HD2 PHE 30 -5.901 3.148 4.182 209 HE1 PHE 30 HE1 PHE 30 -4.517 7.786 5.034 210 HE2 PHE 30 HE2 PHE 30 -3.853 4.016 3.155 211 HZ PHE 30 HZ PHE 30 -3.152 6.339 3.580 212 H LEU 31 HN LEU 31 -5.585 3.524 9.009 213 HA LEU 31 HA LEU 31 -4.216 1.699 7.260 214 HB2 LEU 31 HB2 LEU 31 -3.466 2.688 10.011 215 HB3 LEU 31 HB1 LEU 31 -2.501 1.565 9.086 216 HG LEU 31 HG LEU 31 -1.454 3.628 8.877 217 HD11 LEU 31 HD11 LEU 31 -1.521 2.464 6.806 218 HD12 LEU 31 HD12 LEU 31 -1.581 4.203 6.518 219 HD13 LEU 31 HD13 LEU 31 -3.048 3.233 6.378 220 HD21 LEU 31 HD21 LEU 31 -4.103 4.881 8.171 221 HD22 LEU 31 HD22 LEU 31 -2.541 5.710 8.177 222 HD23 LEU 31 HD23 LEU 31 -3.212 5.074 9.682 223 H ASP 32 HN ASP 32 -6.437 1.455 9.825 224 HA ASP 32 HA ASP 32 -5.620 -1.330 10.317 225 HB2 ASP 32 HB2 ASP 32 -5.854 0.188 12.288 226 HB3 ASP 32 HB1 ASP 32 -7.564 0.354 11.913 227 H LEU 33 HN LEU 33 -7.736 0.402 8.500 228 HA LEU 33 HA LEU 33 -10.006 -1.350 8.623 229 HB2 LEU 33 HB2 LEU 33 -9.221 0.701 6.538 230 HB3 LEU 33 HB1 LEU 33 -10.763 -0.127 6.616 231 HG LEU 33 HG LEU 33 -9.708 1.806 8.683 232 HD11 LEU 33 HD11 LEU 33 -11.887 2.111 6.627 233 HD12 LEU 33 HD12 LEU 33 -10.313 2.905 6.605 234 HD13 LEU 33 HD13 LEU 33 -11.473 3.283 7.880 235 HD21 LEU 33 HD21 LEU 33 -11.139 0.087 9.678 236 HD22 LEU 33 HD22 LEU 33 -12.389 0.420 8.479 237 HD23 LEU 33 HD23 LEU 33 -11.951 1.651 9.660 238 H ARG 34 HN ARG 34 -10.363 -3.115 7.387 239 HA ARG 34 HA ARG 34 -8.052 -4.261 6.130 240 HB2 ARG 34 HB2 ARG 34 -10.887 -5.279 6.224 241 HB3 ARG 34 HB1 ARG 34 -9.488 -6.192 5.691 242 HG2 ARG 34 HG2 ARG 34 -8.549 -5.961 7.987 243 HG3 ARG 34 HG1 ARG 34 -10.073 -5.205 8.473 244 HD2 ARG 34 HD2 ARG 34 -10.088 -7.570 9.012 245 HD3 ARG 34 HD1 ARG 34 -11.283 -7.222 7.757 246 HE ARG 34 HE ARG 34 -8.608 -8.153 7.061 247 HH11 ARG 34 HH11 ARG 34 -12.115 -8.867 7.136 248 HH12 ARG 34 HH12 ARG 34 -11.978 -10.072 5.910 249 HH21 ARG 34 HH21 ARG 34 -8.530 -9.825 5.462 250 HH22 ARG 34 HH22 ARG 34 -9.957 -10.652 4.968 251 H PHE 35 HN PHE 35 -7.855 -4.882 3.965 252 HA PHE 35 HA PHE 35 -8.898 -3.048 2.092 253 HB2 PHE 35 HB2 PHE 35 -7.441 -5.651 1.685 254 HB3 PHE 35 HB1 PHE 35 -7.920 -4.602 0.357 255 HD1 PHE 35 HD2 PHE 35 -7.186 -2.061 0.732 256 HD2 PHE 35 HD1 PHE 35 -5.320 -5.452 2.469 257 HE1 PHE 35 HE2 PHE 35 -5.132 -0.756 1.061 258 HE2 PHE 35 HE1 PHE 35 -3.263 -4.153 2.809 259 HZ PHE 35 HZ PHE 35 -3.135 -1.824 1.958 260 H GLU 36 HN GLU 36 -9.957 -6.131 3.178 261 HA GLU 36 HA GLU 36 -11.829 -6.817 1.225 262 HB2 GLU 36 HB2 GLU 36 -11.148 -8.206 3.181 263 HB3 GLU 36 HB1 GLU 36 -12.091 -7.151 4.218 264 HG2 GLU 36 HG2 GLU 36 -13.371 -9.099 3.807 265 HG3 GLU 36 HG1 GLU 36 -14.106 -7.778 2.899 266 H ASP 37 HN ASP 37 -11.966 -4.446 3.825 267 HA ASP 37 HA ASP 37 -14.792 -4.044 3.703 268 HB2 ASP 37 HB2 ASP 37 -13.481 -3.550 5.757 269 HB3 ASP 37 HB1 ASP 37 -12.690 -2.226 4.907 270 H ILE 38 HN ILE 38 -11.980 -2.387 2.386 271 HA ILE 38 HA ILE 38 -13.709 -0.479 1.083 272 HB ILE 38 HB ILE 38 -11.661 0.561 0.130 273 HG12 ILE 38 HG12 ILE 38 -10.182 -1.572 1.705 274 HG13 ILE 38 HG11 ILE 38 -10.263 -1.474 -0.050 275 HG21 ILE 38 HG21 ILE 38 -10.746 1.379 2.259 276 HG22 ILE 38 HG22 ILE 38 -11.582 0.079 3.106 277 HG23 ILE 38 HG23 ILE 38 -12.507 1.321 2.262 278 HD11 ILE 38 HD11 ILE 38 -9.047 0.651 0.016 279 HD12 ILE 38 HD12 ILE 38 -8.131 -0.643 0.786 280 HD13 ILE 38 HD13 ILE 38 -8.968 0.550 1.775 281 H GLY 39 HN GLY 39 -13.126 -3.507 0.453 282 HA2 GLY 39 HA2 GLY 39 -13.580 -4.841 -1.349 283 HA3 GLY 39 HA1 GLY 39 -14.164 -3.405 -2.174 284 H TYR 40 HN TYR 40 -10.948 -4.259 -0.970 285 HA TYR 40 HA TYR 40 -9.922 -3.673 -3.638 286 HB2 TYR 40 HB2 TYR 40 -8.933 -3.160 -0.994 287 HB3 TYR 40 HB1 TYR 40 -7.834 -4.249 -1.859 288 HD1 TYR 40 HD1 TYR 40 -9.548 -0.967 -2.193 289 HD2 TYR 40 HD2 TYR 40 -6.361 -3.492 -3.396 290 HE1 TYR 40 HE1 TYR 40 -8.537 0.899 -3.440 291 HE2 TYR 40 HE2 TYR 40 -5.347 -1.651 -4.637 292 HH TYR 40 HH TYR 40 -6.300 1.547 -4.280 293 H ASP 41 HN ASP 41 -8.785 -5.135 -4.778 294 HA ASP 41 HA ASP 41 -9.029 -7.935 -3.960 295 HB2 ASP 41 HB2 ASP 41 -9.750 -7.136 -6.293 296 HB3 ASP 41 HB1 ASP 41 -8.034 -6.793 -6.548 297 H SER 42 HN SER 42 -7.121 -9.275 -4.440 298 HA SER 42 HA SER 42 -4.877 -8.287 -3.004 299 HB2 SER 42 HB2 SER 42 -5.121 -10.845 -4.571 300 HB3 SER 42 HB1 SER 42 -4.017 -10.509 -3.226 301 H LEU 43 HN LEU 43 -5.589 -8.939 -6.407 302 HA LEU 43 HA LEU 43 -2.917 -8.574 -7.342 303 HB2 LEU 43 HB2 LEU 43 -5.535 -8.229 -8.812 304 HB3 LEU 43 HB1 LEU 43 -3.956 -8.367 -9.559 305 HG LEU 43 HG LEU 43 -5.314 -10.543 -7.966 306 HD11 LEU 43 HD11 LEU 43 -5.620 -11.634 -10.124 307 HD12 LEU 43 HD12 LEU 43 -4.963 -10.214 -10.937 308 HD13 LEU 43 HD13 LEU 43 -6.477 -10.096 -10.040 309 HD21 LEU 43 HD21 LEU 43 -3.539 -11.977 -8.857 310 HD22 LEU 43 HD22 LEU 43 -2.871 -10.670 -7.879 311 HD23 LEU 43 HD23 LEU 43 -2.799 -10.578 -9.638 312 H ALA 44 HN ALA 44 -5.604 -6.539 -6.640 313 HA ALA 44 HA ALA 44 -4.677 -4.162 -7.863 314 HB1 ALA 44 HB1 ALA 44 -6.535 -4.459 -5.486 315 HB2 ALA 44 HB2 ALA 44 -7.031 -4.505 -7.177 316 HB3 ALA 44 HB3 ALA 44 -6.353 -3.027 -6.499 317 H LEU 45 HN LEU 45 -4.240 -5.607 -4.687 318 HA LEU 45 HA LEU 45 -2.783 -3.486 -3.492 319 HB2 LEU 45 HB2 LEU 45 -2.603 -6.432 -2.944 320 HB3 LEU 45 HB1 LEU 45 -2.000 -5.163 -1.905 321 HG LEU 45 HG LEU 45 -4.890 -5.698 -2.539 322 HD11 LEU 45 HD11 LEU 45 -5.014 -6.296 -0.171 323 HD12 LEU 45 HD12 LEU 45 -3.273 -6.033 -0.023 324 HD13 LEU 45 HD13 LEU 45 -3.883 -7.337 -1.043 325 HD21 LEU 45 HD21 LEU 45 -4.452 -3.326 -2.285 326 HD22 LEU 45 HD22 LEU 45 -3.590 -3.637 -0.779 327 HD23 LEU 45 HD23 LEU 45 -5.323 -3.948 -0.883 328 H MET 46 HN MET 46 -1.901 -6.318 -5.320 329 HA MET 46 HA MET 46 0.891 -6.124 -5.037 330 HB2 MET 46 HB2 MET 46 -0.739 -7.378 -7.252 331 HB3 MET 46 HB1 MET 46 0.988 -7.622 -7.012 332 HG2 MET 46 HG2 MET 46 0.593 -8.688 -4.897 333 HG3 MET 46 HG1 MET 46 -1.131 -8.321 -5.009 334 HE1 MET 46 HE1 MET 46 -1.783 -10.841 -4.532 335 HE2 MET 46 HE2 MET 46 -0.071 -11.227 -4.347 336 HE3 MET 46 HE3 MET 46 -1.092 -12.216 -5.394 337 H GLU 47 HN GLU 47 -1.351 -4.734 -7.350 338 HA GLU 47 HA GLU 47 0.625 -3.560 -9.021 339 HB2 GLU 47 HB2 GLU 47 -1.888 -3.922 -9.512 340 HB3 GLU 47 HB1 GLU 47 -2.143 -2.483 -8.559 341 HG2 GLU 47 HG2 GLU 47 -2.104 -1.947 -10.927 342 HG3 GLU 47 HG1 GLU 47 -0.784 -1.161 -10.056 343 H THR 48 HN THR 48 -1.238 -2.447 -6.263 344 HA THR 48 HA THR 48 -0.367 0.202 -6.144 345 HB THR 48 HB THR 48 -1.267 -1.661 -3.931 346 HG1 THR 48 HG1 THR 48 -2.928 -1.491 -5.347 347 HG21 THR 48 HG21 THR 48 -1.201 1.373 -4.018 348 HG22 THR 48 HG22 THR 48 -0.159 0.344 -3.025 349 HG23 THR 48 HG23 THR 48 -1.895 0.388 -2.728 350 H ALA 49 HN ALA 49 0.923 -2.705 -4.500 351 HA ALA 49 HA ALA 49 3.083 -1.421 -3.243 352 HB1 ALA 49 HB1 ALA 49 2.892 -4.281 -4.198 353 HB2 ALA 49 HB2 ALA 49 2.331 -3.678 -2.638 354 HB3 ALA 49 HB3 ALA 49 4.052 -3.661 -3.022 355 H ALA 50 HN ALA 50 2.702 -2.793 -6.447 356 HA ALA 50 HA ALA 50 5.392 -2.685 -7.241 357 HB1 ALA 50 HB1 ALA 50 3.713 -4.048 -8.357 358 HB2 ALA 50 HB2 ALA 50 4.577 -3.001 -9.481 359 HB3 ALA 50 HB3 ALA 50 2.942 -2.584 -8.966 360 H ARG 51 HN ARG 51 2.783 -0.300 -7.538 361 HA ARG 51 HA ARG 51 4.329 1.460 -9.124 362 HB2 ARG 51 HB2 ARG 51 2.679 3.165 -8.744 363 HB3 ARG 51 HB1 ARG 51 1.817 1.649 -8.872 364 HG2 ARG 51 HG2 ARG 51 1.553 1.579 -6.452 365 HG3 ARG 51 HG1 ARG 51 2.464 3.084 -6.309 366 HD2 ARG 51 HD2 ARG 51 0.171 3.672 -6.185 367 HD3 ARG 51 HD1 ARG 51 0.725 4.150 -7.784 368 HE ARG 51 HE ARG 51 -1.148 2.058 -7.087 369 HH11 ARG 51 HH11 ARG 51 0.690 3.647 -9.700 370 HH12 ARG 51 HH12 ARG 51 -0.277 3.074 -10.959 371 HH21 ARG 51 HH21 ARG 51 -2.500 1.295 -8.811 372 HH22 ARG 51 HH22 ARG 51 -2.163 1.637 -10.457 373 H LEU 52 HN LEU 52 4.107 0.882 -5.745 374 HA LEU 52 HA LEU 52 5.580 3.168 -4.929 375 HB2 LEU 52 HB2 LEU 52 5.015 0.571 -3.499 376 HB3 LEU 52 HB1 LEU 52 5.752 1.978 -2.754 377 HG LEU 52 HG LEU 52 2.967 1.887 -3.913 378 HD11 LEU 52 HD11 LEU 52 2.218 2.058 -1.598 379 HD12 LEU 52 HD12 LEU 52 3.889 1.937 -1.048 380 HD13 LEU 52 HD13 LEU 52 3.133 0.577 -1.877 381 HD21 LEU 52 HD21 LEU 52 3.981 4.086 -4.100 382 HD22 LEU 52 HD22 LEU 52 4.406 4.048 -2.389 383 HD23 LEU 52 HD23 LEU 52 2.714 4.085 -2.873 384 H GLU 53 HN GLU 53 6.380 -0.137 -5.804 385 HA GLU 53 HA GLU 53 9.119 -0.197 -5.169 386 HB2 GLU 53 HB2 GLU 53 7.838 -1.280 -7.679 387 HB3 GLU 53 HB1 GLU 53 9.411 -1.712 -7.060 388 HG2 GLU 53 HG2 GLU 53 8.309 -2.743 -5.124 389 HG3 GLU 53 HG1 GLU 53 6.743 -2.362 -5.865 390 H SER 54 HN SER 54 7.472 0.737 -8.103 391 HA SER 54 HA SER 54 9.723 1.500 -9.589 392 HB2 SER 54 HB2 SER 54 7.504 0.768 -10.497 393 HB3 SER 54 HB1 SER 54 6.839 2.322 -10.000 394 HG SER 54 HG SER 54 9.099 2.092 -11.658 395 H ARG 55 HN ARG 55 7.805 3.176 -7.281 396 HA ARG 55 HA ARG 55 8.736 5.792 -8.094 397 HB2 ARG 55 HB2 ARG 55 6.451 5.603 -7.366 398 HB3 ARG 55 HB1 ARG 55 6.943 4.876 -5.849 399 HG2 ARG 55 HG2 ARG 55 6.237 7.196 -5.576 400 HG3 ARG 55 HG1 ARG 55 7.930 6.980 -5.140 401 HD2 ARG 55 HD2 ARG 55 7.544 9.013 -6.399 402 HD3 ARG 55 HD1 ARG 55 8.619 7.915 -7.264 403 HE ARG 55 HE ARG 55 5.820 7.709 -7.967 404 HH11 ARG 55 HH11 ARG 55 8.982 9.074 -8.761 405 HH12 ARG 55 HH12 ARG 55 8.550 9.632 -10.298 406 HH21 ARG 55 HH21 ARG 55 5.175 8.444 -10.136 407 HH22 ARG 55 HH22 ARG 55 6.335 9.236 -11.109 408 H TYR 56 HN TYR 56 9.045 3.720 -5.192 409 HA TYR 56 HA TYR 56 10.887 5.667 -4.124 410 HB2 TYR 56 HB2 TYR 56 9.556 3.298 -2.826 411 HB3 TYR 56 HB1 TYR 56 10.670 4.391 -1.994 412 HD1 TYR 56 HD1 TYR 56 10.056 6.718 -1.590 413 HD2 TYR 56 HD2 TYR 56 7.311 4.035 -3.402 414 HE1 TYR 56 HE1 TYR 56 8.249 8.334 -1.238 415 HE2 TYR 56 HE2 TYR 56 5.495 5.652 -3.043 416 HH TYR 56 HH TYR 56 6.159 8.879 -2.063 417 H GLY 57 HN GLY 57 11.148 2.681 -5.725 418 HA2 GLY 57 HA2 GLY 57 13.188 1.925 -6.553 419 HA3 GLY 57 HA1 GLY 57 14.018 2.881 -5.336 420 H VAL 58 HN VAL 58 11.863 0.096 -5.628 421 HA VAL 58 HA VAL 58 13.624 -1.453 -4.004 422 HB VAL 58 HB VAL 58 12.114 -0.226 -2.368 423 HG11 VAL 58 HG11 VAL 58 10.073 -0.105 -3.578 424 HG12 VAL 58 HG12 VAL 58 9.791 -0.971 -2.068 425 HG13 VAL 58 HG13 VAL 58 9.914 -1.859 -3.582 426 HG21 VAL 58 HG21 VAL 58 11.870 -3.236 -2.345 427 HG22 VAL 58 HG22 VAL 58 11.596 -2.175 -0.965 428 HG23 VAL 58 HG23 VAL 58 13.201 -2.285 -1.683 429 H SER 59 HN SER 59 12.725 -3.794 -3.982 430 HA SER 59 HA SER 59 10.799 -4.209 -6.095 431 HB2 SER 59 HB2 SER 59 13.477 -5.613 -5.870 432 HB3 SER 59 HB1 SER 59 12.198 -6.040 -7.009 433 HG SER 59 HG SER 59 12.330 -3.816 -7.712 434 H ILE 60 HN ILE 60 9.227 -5.305 -5.327 435 HA ILE 60 HA ILE 60 9.658 -7.326 -3.242 436 HB ILE 60 HB ILE 60 7.459 -5.219 -3.227 437 HG12 ILE 60 HG12 ILE 60 9.723 -5.703 -1.266 438 HG13 ILE 60 HG11 ILE 60 9.652 -4.388 -2.430 439 HG21 ILE 60 HG21 ILE 60 7.919 -7.522 -1.322 440 HG22 ILE 60 HG22 ILE 60 6.595 -7.372 -2.476 441 HG23 ILE 60 HG23 ILE 60 6.714 -6.249 -1.121 442 HD11 ILE 60 HD11 ILE 60 7.686 -3.494 -1.286 443 HD12 ILE 60 HD12 ILE 60 9.069 -3.632 -0.202 444 HD13 ILE 60 HD13 ILE 60 7.764 -4.818 -0.124 445 HA PRO 61 HA PRO 61 7.483 -9.777 -6.307 446 HB2 PRO 61 HB2 PRO 61 7.154 -11.481 -3.878 447 HB3 PRO 61 HB1 PRO 61 7.725 -11.918 -5.495 448 HG2 PRO 61 HG2 PRO 61 9.468 -11.668 -3.531 449 HG3 PRO 61 HG1 PRO 61 9.839 -11.005 -5.137 450 HD2 PRO 61 HD2 PRO 61 8.926 -9.588 -2.669 451 HD3 PRO 61 HD1 PRO 61 10.158 -9.108 -3.855 452 H ASP 62 HN ASP 62 5.394 -10.050 -6.858 453 HA ASP 62 HA ASP 62 3.332 -8.563 -5.768 454 HB2 ASP 62 HB2 ASP 62 3.136 -11.060 -7.470 455 HB3 ASP 62 HB1 ASP 62 1.804 -9.961 -7.148 456 H ASP 63 HN ASP 63 4.114 -11.937 -5.321 457 HA ASP 63 HA ASP 63 1.816 -12.732 -3.911 458 HB2 ASP 63 HB2 ASP 63 3.026 -14.736 -3.259 459 HB3 ASP 63 HB1 ASP 63 3.348 -14.353 -4.942 460 H VAL 64 HN VAL 64 4.414 -10.831 -2.798 461 HA VAL 64 HA VAL 64 4.129 -11.536 -0.020 462 HB VAL 64 HB VAL 64 5.413 -9.106 -1.271 463 HG11 VAL 64 HG11 VAL 64 6.684 -8.964 0.850 464 HG12 VAL 64 HG12 VAL 64 5.759 -10.331 1.474 465 HG13 VAL 64 HG13 VAL 64 4.946 -8.809 1.108 466 HG21 VAL 64 HG21 VAL 64 6.663 -11.725 -0.456 467 HG22 VAL 64 HG22 VAL 64 7.548 -10.298 -0.998 468 HG23 VAL 64 HG23 VAL 64 6.451 -11.131 -2.102 469 H ALA 65 HN ALA 65 2.784 -9.246 -2.254 470 HA ALA 65 HA ALA 65 1.638 -7.521 -0.264 471 HB1 ALA 65 HB1 ALA 65 2.308 -6.649 -2.454 472 HB2 ALA 65 HB2 ALA 65 0.590 -6.377 -2.142 473 HB3 ALA 65 HB3 ALA 65 1.095 -7.673 -3.226 474 H GLY 66 HN GLY 66 0.899 -10.544 -1.224 475 HA2 GLY 66 HA2 GLY 66 -1.982 -10.278 -1.114 476 HA3 GLY 66 HA1 GLY 66 -1.075 -11.782 -1.255 477 H ARG 67 HN ARG 67 0.502 -10.308 1.108 478 HA ARG 67 HA ARG 67 -1.161 -11.590 3.154 479 HB2 ARG 67 HB2 ARG 67 1.791 -11.028 3.124 480 HB3 ARG 67 HB1 ARG 67 0.927 -11.614 4.535 481 HG2 ARG 67 HG2 ARG 67 0.257 -13.613 3.241 482 HG3 ARG 67 HG1 ARG 67 1.238 -13.029 1.897 483 HD2 ARG 67 HD2 ARG 67 2.293 -13.565 4.669 484 HD3 ARG 67 HD1 ARG 67 2.370 -14.720 3.344 485 HE ARG 67 HE ARG 67 3.928 -13.366 2.250 486 HH11 ARG 67 HH11 ARG 67 3.027 -11.926 5.398 487 HH12 ARG 67 HH12 ARG 67 4.457 -11.051 5.571 488 HH21 ARG 67 HH21 ARG 67 5.998 -12.245 2.597 489 HH22 ARG 67 HH22 ARG 67 6.197 -11.277 3.993 490 H VAL 68 HN VAL 68 -0.633 -8.576 2.046 491 HA VAL 68 HA VAL 68 -0.646 -7.412 4.707 492 HB VAL 68 HB VAL 68 -0.518 -5.180 3.543 493 HG11 VAL 68 HG11 VAL 68 1.800 -5.415 2.775 494 HG12 VAL 68 HG12 VAL 68 1.606 -7.170 2.774 495 HG13 VAL 68 HG13 VAL 68 1.499 -6.270 4.288 496 HG21 VAL 68 HG21 VAL 68 -0.211 -6.835 1.028 497 HG22 VAL 68 HG22 VAL 68 0.053 -5.098 1.149 498 HG23 VAL 68 HG23 VAL 68 -1.566 -5.762 1.393 499 H ASP 69 HN ASP 69 -2.488 -7.507 5.658 500 HA ASP 69 HA ASP 69 -4.942 -7.678 4.148 501 HB2 ASP 69 HB2 ASP 69 -4.450 -9.166 6.077 502 HB3 ASP 69 HB1 ASP 69 -4.531 -7.764 7.129 503 H THR 70 HN THR 70 -3.324 -5.358 6.177 504 HA THR 70 HA THR 70 -5.482 -3.474 5.648 505 HB THR 70 HB THR 70 -4.838 -2.381 7.831 506 HG1 THR 70 HG1 THR 70 -3.521 -4.814 8.463 507 HG21 THR 70 HG21 THR 70 -6.785 -3.874 7.752 508 HG22 THR 70 HG22 THR 70 -5.944 -4.048 9.294 509 HG23 THR 70 HG23 THR 70 -5.737 -5.263 8.029 510 HA PRO 71 HA PRO 71 -2.553 -0.919 3.546 511 HB2 PRO 71 HB2 PRO 71 -3.478 1.381 5.193 512 HB3 PRO 71 HB1 PRO 71 -3.415 1.207 3.434 513 HG2 PRO 71 HG2 PRO 71 -5.733 1.045 4.675 514 HG3 PRO 71 HG1 PRO 71 -5.349 -0.093 3.367 515 HD2 PRO 71 HD2 PRO 71 -5.259 -0.529 6.331 516 HD3 PRO 71 HD1 PRO 71 -5.895 -1.592 5.060 517 H ARG 72 HN ARG 72 -2.583 -0.687 7.035 518 HA ARG 72 HA ARG 72 -0.251 0.816 7.483 519 HB2 ARG 72 HB2 ARG 72 -1.876 0.104 9.221 520 HB3 ARG 72 HB1 ARG 72 -1.262 -1.534 9.075 521 HG2 ARG 72 HG2 ARG 72 1.021 -0.525 9.647 522 HG3 ARG 72 HG1 ARG 72 0.104 0.888 10.181 523 HD2 ARG 72 HD2 ARG 72 -0.180 -1.936 11.165 524 HD3 ARG 72 HD1 ARG 72 0.515 -0.582 12.048 525 HE ARG 72 HE ARG 72 -1.635 0.410 12.118 526 HH11 ARG 72 HH11 ARG 72 -1.625 -3.002 10.975 527 HH12 ARG 72 HH12 ARG 72 -3.174 -3.346 11.569 528 HH21 ARG 72 HH21 ARG 72 -3.785 -0.113 12.937 529 HH22 ARG 72 HH22 ARG 72 -4.445 -1.667 12.705 530 H GLU 73 HN GLU 73 -0.818 -2.607 7.013 531 HA GLU 73 HA GLU 73 1.802 -3.531 7.449 532 HB2 GLU 73 HB2 GLU 73 -0.272 -4.844 5.706 533 HB3 GLU 73 HB1 GLU 73 1.007 -5.611 6.631 534 HG2 GLU 73 HG2 GLU 73 -1.459 -4.275 7.719 535 HG3 GLU 73 HG1 GLU 73 -1.127 -5.999 7.664 536 H LEU 74 HN LEU 74 -0.026 -2.589 4.599 537 HA LEU 74 HA LEU 74 1.837 -3.379 2.612 538 HB2 LEU 74 HB2 LEU 74 -0.676 -2.656 2.437 539 HB3 LEU 74 HB1 LEU 74 -0.057 -1.030 2.347 540 HG LEU 74 HG LEU 74 0.446 -3.244 0.328 541 HD11 LEU 74 HD11 LEU 74 -0.947 -1.911 -1.155 542 HD12 LEU 74 HD12 LEU 74 -1.272 -0.791 0.164 543 HD13 LEU 74 HD13 LEU 74 -1.819 -2.466 0.274 544 HD21 LEU 74 HD21 LEU 74 1.237 -0.325 0.203 545 HD22 LEU 74 HD22 LEU 74 1.433 -1.502 -1.093 546 HD23 LEU 74 HD23 LEU 74 2.347 -1.678 0.408 547 H LEU 75 HN LEU 75 1.284 -0.345 4.325 548 HA LEU 75 HA LEU 75 3.203 1.340 3.162 549 HB2 LEU 75 HB2 LEU 75 1.315 1.828 4.858 550 HB3 LEU 75 HB1 LEU 75 2.409 1.260 6.078 551 HG LEU 75 HG LEU 75 2.938 3.710 4.359 552 HD11 LEU 75 HD11 LEU 75 2.333 4.970 6.348 553 HD12 LEU 75 HD12 LEU 75 1.985 3.462 7.189 554 HD13 LEU 75 HD13 LEU 75 0.963 3.967 5.840 555 HD21 LEU 75 HD21 LEU 75 4.169 2.707 6.875 556 HD22 LEU 75 HD22 LEU 75 4.548 4.229 6.021 557 HD23 LEU 75 HD23 LEU 75 4.886 2.659 5.254 558 H ASP 76 HN ASP 76 3.321 -0.727 6.001 559 HA ASP 76 HA ASP 76 5.939 -0.205 6.750 560 HB2 ASP 76 HB2 ASP 76 4.384 -1.145 8.324 561 HB3 ASP 76 HB1 ASP 76 4.178 -2.585 7.339 562 H LEU 77 HN LEU 77 4.532 -2.690 4.715 563 HA LEU 77 HA LEU 77 6.715 -4.351 4.308 564 HB2 LEU 77 HB2 LEU 77 4.441 -4.893 3.614 565 HB3 LEU 77 HB1 LEU 77 4.489 -3.627 2.407 566 HG LEU 77 HG LEU 77 6.265 -4.855 1.220 567 HD11 LEU 77 HD11 LEU 77 5.738 -6.991 3.278 568 HD12 LEU 77 HD12 LEU 77 7.222 -6.052 3.104 569 HD13 LEU 77 HD13 LEU 77 6.733 -7.176 1.833 570 HD21 LEU 77 HD21 LEU 77 3.936 -5.133 0.567 571 HD22 LEU 77 HD22 LEU 77 3.749 -6.429 1.749 572 HD23 LEU 77 HD23 LEU 77 4.819 -6.648 0.366 573 H ILE 78 HN ILE 78 5.685 -1.545 2.411 574 HA ILE 78 HA ILE 78 7.787 -1.697 0.524 575 HB ILE 78 HB ILE 78 6.099 0.689 1.339 576 HG12 ILE 78 HG12 ILE 78 4.774 -1.174 0.460 577 HG13 ILE 78 HG11 ILE 78 4.788 0.172 -0.670 578 HG21 ILE 78 HG21 ILE 78 8.151 1.431 0.234 579 HG22 ILE 78 HG22 ILE 78 6.754 1.683 -0.817 580 HG23 ILE 78 HG23 ILE 78 7.840 0.328 -1.109 581 HD11 ILE 78 HD11 ILE 78 6.475 -0.998 -2.021 582 HD12 ILE 78 HD12 ILE 78 4.995 -1.942 -1.843 583 HD13 ILE 78 HD13 ILE 78 6.422 -2.350 -0.892 584 H ASN 79 HN ASN 79 7.336 0.578 3.241 585 HA ASN 79 HA ASN 79 9.868 1.757 2.910 586 HB2 ASN 79 HB2 ASN 79 8.093 1.748 5.331 587 HB3 ASN 79 HB1 ASN 79 9.516 2.749 5.154 588 HD21 ASN 79 HD21 ASN 79 7.178 3.759 5.662 589 HD22 ASN 79 HD22 ASN 79 6.475 4.647 4.347 590 H GLY 80 HN GLY 80 8.808 -0.942 4.876 591 HA2 GLY 80 HA2 GLY 80 11.063 -1.199 6.485 592 HA3 GLY 80 HA1 GLY 80 9.983 -2.505 6.009 593 H ALA 81 HN ALA 81 10.341 -2.420 3.267 594 HA ALA 81 HA ALA 81 12.792 -3.840 3.012 595 HB1 ALA 81 HB1 ALA 81 10.786 -4.478 1.755 596 HB2 ALA 81 HB2 ALA 81 12.139 -4.136 0.676 597 HB3 ALA 81 HB3 ALA 81 10.849 -2.950 0.878 598 H LEU 82 HN LEU 82 11.655 -0.643 2.105 599 HA LEU 82 HA LEU 82 13.819 0.254 0.567 600 HB2 LEU 82 HB2 LEU 82 12.057 1.780 2.481 601 HB3 LEU 82 HB1 LEU 82 13.215 2.551 1.424 602 HG LEU 82 HG LEU 82 10.819 0.952 0.524 603 HD11 LEU 82 HD11 LEU 82 9.933 3.127 -0.158 604 HD12 LEU 82 HD12 LEU 82 11.348 3.922 0.531 605 HD13 LEU 82 HD13 LEU 82 10.214 3.077 1.583 606 HD21 LEU 82 HD21 LEU 82 11.368 1.831 -1.687 607 HD22 LEU 82 HD22 LEU 82 12.680 0.843 -1.052 608 HD23 LEU 82 HD23 LEU 82 12.810 2.603 -1.031 609 H ALA 83 HN ALA 83 13.352 0.288 4.058 610 HA ALA 83 HA ALA 83 15.990 1.396 4.504 611 HB1 ALA 83 HB1 ALA 83 14.103 2.113 5.894 612 HB2 ALA 83 HB2 ALA 83 15.370 1.365 6.864 613 HB3 ALA 83 HB3 ALA 83 13.905 0.462 6.477 614 H GLU 84 HN GLU 84 14.877 -1.591 3.801 615 HA GLU 84 HA GLU 84 16.615 -3.064 5.639 616 HB2 GLU 84 HB2 GLU 84 14.244 -3.805 4.987 617 HB3 GLU 84 HB1 GLU 84 14.922 -4.203 3.419 618 HG2 GLU 84 HG2 GLU 84 14.771 -6.179 4.769 619 HG3 GLU 84 HG1 GLU 84 16.468 -5.764 4.520 620 H ALA 85 HN ALA 85 15.986 -2.828 2.155 621 HA ALA 85 HA ALA 85 18.310 -4.226 1.381 622 HB1 ALA 85 HB1 ALA 85 17.737 -3.496 -0.878 623 HB2 ALA 85 HB2 ALA 85 16.573 -2.347 -0.219 624 HB3 ALA 85 HB3 ALA 85 16.309 -4.079 -0.022 625 H ALA 86 HN ALA 86 17.498 -0.782 1.476 626 HA ALA 86 HA ALA 86 20.236 -0.120 0.781 627 HB1 ALA 86 HB1 ALA 86 17.814 1.656 1.111 628 HB2 ALA 86 HB2 ALA 86 18.454 1.052 -0.420 629 HB3 ALA 86 HB3 ALA 86 19.404 2.173 0.553 630 H282 PNS 87 H28A PNS 87 -8.526 -11.005 -3.635 631 H281 PNS 87 H28B PNS 87 -8.074 -12.507 -4.444 632 H303 PNS 87 H30A PNS 87 -10.263 -12.538 -5.486 633 H302 PNS 87 H30B PNS 87 -10.747 -11.076 -4.625 634 H301 PNS 87 H30C PNS 87 -11.741 -12.531 -4.527 635 H313 PNS 87 H31A PNS 87 -10.916 -14.534 -3.223 636 H312 PNS 87 H31B PNS 87 -9.302 -14.482 -2.515 637 H311 PNS 87 H31C PNS 87 -9.491 -14.529 -4.267 638 H32 PNS 87 H32A PNS 87 -10.806 -11.004 -2.138 639 H33 PNS 87 H33A PNS 87 -8.834 -12.358 -1.356 640 H36 PNS 87 H36A PNS 87 -12.889 -11.861 -3.120 641 H372 PNS 87 H37A PNS 87 -14.122 -14.220 -2.266 642 H371 PNS 87 H37B PNS 87 -14.660 -12.896 -1.217 643 H382 PNS 87 H38A PNS 87 -14.845 -12.866 -4.262 644 H381 PNS 87 H38B PNS 87 -16.035 -13.587 -3.250 645 H41 PNS 87 H41A PNS 87 -17.057 -11.869 -4.723 646 H422 PNS 87 H42A PNS 87 -18.290 -9.962 -3.081 647 H421 PNS 87 H42B PNS 87 -17.183 -9.157 -4.209 648 H431 PNS 87 H43A PNS 87 -18.323 -10.168 -6.063 649 H432 PNS 87 H43B PNS 87 -19.538 -9.371 -5.047 650 H44 PNS 87 H1 PNS 87 -20.538 -11.779 -6.058 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 18.234 6.116 6.013 2 H2 MET 1 HT2 MET 1 19.144 7.490 5.697 3 H3 MET 1 HT3 MET 1 19.916 6.067 6.146 4 HA MET 1 HA MET 1 20.182 6.520 3.825 5 HB2 MET 1 HB2 MET 1 20.351 4.230 4.477 6 HB3 MET 1 HB1 MET 1 18.603 4.059 4.577 7 HG2 MET 1 HG2 MET 1 18.555 4.513 2.089 8 HG3 MET 1 HG1 MET 1 20.307 4.320 2.118 9 HE1 MET 1 HE1 MET 1 18.780 1.045 0.470 10 HE2 MET 1 HE2 MET 1 19.753 2.488 0.180 11 HE3 MET 1 HE3 MET 1 18.016 2.633 0.438 12 H ALA 2 HN ALA 2 16.881 5.123 3.953 13 HA ALA 2 HA ALA 2 16.334 6.777 1.618 14 HB1 ALA 2 HB1 ALA 2 14.656 5.114 1.051 15 HB2 ALA 2 HB2 ALA 2 15.010 4.231 2.535 16 HB3 ALA 2 HB3 ALA 2 16.235 4.362 1.275 17 H THR 3 HN THR 3 14.422 7.806 1.413 18 HA THR 3 HA THR 3 13.310 8.733 3.859 19 HB THR 3 HB THR 3 13.684 10.346 2.114 20 HG1 THR 3 HG1 THR 3 10.927 10.296 1.907 21 HG21 THR 3 HG21 THR 3 12.465 10.346 -0.039 22 HG22 THR 3 HG22 THR 3 11.792 8.762 0.350 23 HG23 THR 3 HG23 THR 3 13.531 8.950 0.113 24 H LEU 4 HN LEU 4 11.965 7.484 4.891 25 HA LEU 4 HA LEU 4 10.426 5.461 3.635 26 HB2 LEU 4 HB2 LEU 4 10.130 6.642 6.403 27 HB3 LEU 4 HB1 LEU 4 9.416 5.149 5.834 28 HG LEU 4 HG LEU 4 12.367 5.659 6.208 29 HD11 LEU 4 HD11 LEU 4 11.178 5.455 8.309 30 HD12 LEU 4 HD12 LEU 4 12.181 4.033 8.019 31 HD13 LEU 4 HD13 LEU 4 10.440 3.950 7.764 32 HD21 LEU 4 HD21 LEU 4 11.952 4.125 4.352 33 HD22 LEU 4 HD22 LEU 4 10.915 3.142 5.385 34 HD23 LEU 4 HD23 LEU 4 12.637 3.271 5.733 35 H LEU 5 HN LEU 5 8.574 5.689 2.683 36 HA LEU 5 HA LEU 5 7.373 8.186 2.277 37 HB2 LEU 5 HB2 LEU 5 5.765 7.108 0.970 38 HB3 LEU 5 HB1 LEU 5 7.228 6.195 0.735 39 HG LEU 5 HG LEU 5 4.905 5.331 2.480 40 HD11 LEU 5 HD11 LEU 5 4.298 5.295 0.155 41 HD12 LEU 5 HD12 LEU 5 4.506 3.650 0.759 42 HD13 LEU 5 HD13 LEU 5 5.759 4.388 -0.241 43 HD21 LEU 5 HD21 LEU 5 7.378 3.822 1.644 44 HD22 LEU 5 HD22 LEU 5 5.999 3.154 2.516 45 HD23 LEU 5 HD23 LEU 5 7.009 4.387 3.282 46 H THR 6 HN THR 6 5.602 9.120 3.158 47 HA THR 6 HA THR 6 4.718 7.981 5.631 48 HB THR 6 HB THR 6 3.406 10.178 5.782 49 HG1 THR 6 HG1 THR 6 3.462 11.447 4.059 50 HG21 THR 6 HG21 THR 6 5.419 11.468 6.378 51 HG22 THR 6 HG22 THR 6 6.418 10.297 5.514 52 HG23 THR 6 HG23 THR 6 5.525 9.806 6.953 53 H THR 7 HN THR 7 2.091 8.797 5.795 54 HA THR 7 HA THR 7 0.876 6.709 4.378 55 HB THR 7 HB THR 7 -0.511 8.922 5.903 56 HG1 THR 7 HG1 THR 7 -0.177 7.267 7.656 57 HG21 THR 7 HG21 THR 7 -1.934 7.275 4.687 58 HG22 THR 7 HG22 THR 7 -2.097 7.136 6.440 59 HG23 THR 7 HG23 THR 7 -1.116 5.973 5.556 60 H ASP 8 HN ASP 8 1.577 9.877 3.577 61 HA ASP 8 HA ASP 8 -0.532 10.674 1.886 62 HB2 ASP 8 HB2 ASP 8 2.416 11.309 1.674 63 HB3 ASP 8 HB1 ASP 8 1.129 12.166 0.827 64 H ASP 9 HN ASP 9 2.524 9.030 1.189 65 HA ASP 9 HA ASP 9 1.964 8.688 -1.577 66 HB2 ASP 9 HB2 ASP 9 3.939 7.279 0.195 67 HB3 ASP 9 HB1 ASP 9 3.824 6.991 -1.533 68 H LEU 10 HN LEU 10 1.541 6.703 1.258 69 HA LEU 10 HA LEU 10 0.730 4.332 -0.017 70 HB2 LEU 10 HB2 LEU 10 1.264 4.573 2.405 71 HB3 LEU 10 HB1 LEU 10 -0.232 5.455 2.622 72 HG LEU 10 HG LEU 10 -1.463 3.400 1.879 73 HD11 LEU 10 HD11 LEU 10 1.254 2.130 2.115 74 HD12 LEU 10 HD12 LEU 10 0.305 2.319 0.639 75 HD13 LEU 10 HD13 LEU 10 -0.275 1.269 1.933 76 HD21 LEU 10 HD21 LEU 10 0.315 3.140 4.301 77 HD22 LEU 10 HD22 LEU 10 -1.170 2.236 4.009 78 HD23 LEU 10 HD23 LEU 10 -1.231 3.985 4.234 79 H ARG 11 HN ARG 11 -1.105 7.088 1.190 80 HA ARG 11 HA ARG 11 -3.696 6.448 0.504 81 HB2 ARG 11 HB2 ARG 11 -3.110 8.353 1.872 82 HB3 ARG 11 HB1 ARG 11 -2.247 9.091 0.542 83 HG2 ARG 11 HG2 ARG 11 -4.416 9.318 -0.651 84 HG3 ARG 11 HG1 ARG 11 -5.219 8.725 0.808 85 HD2 ARG 11 HD2 ARG 11 -4.324 10.556 2.102 86 HD3 ARG 11 HD1 ARG 11 -3.390 11.117 0.717 87 HE ARG 11 HE ARG 11 -6.264 10.963 0.389 88 HH11 ARG 11 HH11 ARG 11 -3.519 13.078 1.241 89 HH12 ARG 11 HH12 ARG 11 -4.317 14.490 0.685 90 HH21 ARG 11 HH21 ARG 11 -7.329 12.968 -0.270 91 HH22 ARG 11 HH22 ARG 11 -6.445 14.430 -0.149 92 H ARG 12 HN ARG 12 -1.464 8.503 -1.390 93 HA ARG 12 HA ARG 12 -3.153 8.727 -3.611 94 HB2 ARG 12 HB2 ARG 12 -1.246 9.596 -4.859 95 HB3 ARG 12 HB1 ARG 12 -1.350 10.319 -3.258 96 HG2 ARG 12 HG2 ARG 12 0.434 8.927 -2.466 97 HG3 ARG 12 HG1 ARG 12 0.426 8.049 -4.001 98 HD2 ARG 12 HD2 ARG 12 1.038 10.987 -3.715 99 HD3 ARG 12 HD1 ARG 12 2.270 9.727 -3.775 100 HE ARG 12 HE ARG 12 1.008 9.195 -6.006 101 HH11 ARG 12 HH11 ARG 12 1.796 12.415 -4.720 102 HH12 ARG 12 HH12 ARG 12 2.041 13.127 -6.240 103 HH21 ARG 12 HH21 ARG 12 1.374 10.155 -8.119 104 HH22 ARG 12 HH22 ARG 12 1.763 11.805 -8.237 105 H ALA 13 HN ALA 13 -0.720 6.332 -2.882 106 HA ALA 13 HA ALA 13 -0.665 5.236 -5.478 107 HB1 ALA 13 HB1 ALA 13 1.172 4.934 -3.902 108 HB2 ALA 13 HB2 ALA 13 0.571 3.386 -4.487 109 HB3 ALA 13 HB3 ALA 13 0.135 3.949 -2.871 110 H LEU 14 HN LEU 14 -2.427 4.473 -2.552 111 HA LEU 14 HA LEU 14 -3.598 2.134 -3.629 112 HB2 LEU 14 HB2 LEU 14 -3.220 2.416 -1.339 113 HB3 LEU 14 HB1 LEU 14 -4.311 3.793 -1.217 114 HG LEU 14 HG LEU 14 -6.180 2.219 -1.836 115 HD11 LEU 14 HD11 LEU 14 -5.785 -0.181 -1.617 116 HD12 LEU 14 HD12 LEU 14 -4.058 0.117 -1.421 117 HD13 LEU 14 HD13 LEU 14 -4.853 0.505 -2.946 118 HD21 LEU 14 HD21 LEU 14 -6.293 1.179 0.382 119 HD22 LEU 14 HD22 LEU 14 -5.780 2.862 0.457 120 HD23 LEU 14 HD23 LEU 14 -4.589 1.576 0.641 121 H VAL 15 HN VAL 15 -4.651 5.495 -3.292 122 HA VAL 15 HA VAL 15 -7.222 5.091 -4.397 123 HB VAL 15 HB VAL 15 -5.481 7.596 -4.526 124 HG11 VAL 15 HG11 VAL 15 -7.577 8.821 -4.932 125 HG12 VAL 15 HG12 VAL 15 -8.453 7.289 -4.993 126 HG13 VAL 15 HG13 VAL 15 -7.243 7.664 -6.221 127 HG21 VAL 15 HG21 VAL 15 -5.970 6.900 -2.237 128 HG22 VAL 15 HG22 VAL 15 -7.690 6.830 -2.616 129 HG23 VAL 15 HG23 VAL 15 -6.844 8.379 -2.642 130 H GLU 16 HN GLU 16 -4.095 5.875 -5.864 131 HA GLU 16 HA GLU 16 -4.908 6.093 -8.530 132 HB2 GLU 16 HB2 GLU 16 -2.732 6.836 -7.602 133 HB3 GLU 16 HB1 GLU 16 -2.242 5.158 -7.477 134 HG2 GLU 16 HG2 GLU 16 -2.348 4.929 -9.888 135 HG3 GLU 16 HG1 GLU 16 -2.894 6.605 -10.030 136 H SER 17 HN SER 17 -4.605 3.280 -6.572 137 HA SER 17 HA SER 17 -4.161 1.490 -8.764 138 HB2 SER 17 HB2 SER 17 -5.109 0.845 -5.952 139 HB3 SER 17 HB1 SER 17 -4.529 -0.313 -7.145 140 HG SER 17 HG SER 17 -3.025 1.865 -6.101 141 H ALA 18 HN ALA 18 -6.758 3.256 -7.824 142 HA ALA 18 HA ALA 18 -8.560 1.557 -9.407 143 HB1 ALA 18 HB1 ALA 18 -9.312 3.450 -7.165 144 HB2 ALA 18 HB2 ALA 18 -9.325 1.690 -7.071 145 HB3 ALA 18 HB3 ALA 18 -10.444 2.523 -8.152 146 H GLY 19 HN GLY 19 -7.394 4.762 -8.580 147 HA2 GLY 19 HA2 GLY 19 -7.008 6.529 -10.017 148 HA3 GLY 19 HA1 GLY 19 -7.990 5.735 -11.247 149 H GLU 20 HN GLU 20 -10.190 5.695 -10.993 150 HA GLU 20 HA GLU 20 -11.308 7.837 -9.338 151 HB2 GLU 20 HB2 GLU 20 -13.203 7.823 -10.924 152 HB3 GLU 20 HB1 GLU 20 -11.688 8.188 -11.731 153 HG2 GLU 20 HG2 GLU 20 -11.563 5.901 -12.555 154 HG3 GLU 20 HG1 GLU 20 -13.070 5.516 -11.721 155 H THR 21 HN THR 21 -13.633 7.251 -8.666 156 HA THR 21 HA THR 21 -14.791 6.116 -7.171 157 HB THR 21 HB THR 21 -15.452 3.785 -7.737 158 HG1 THR 21 HG1 THR 21 -13.318 3.915 -9.333 159 HG21 THR 21 HG21 THR 21 -15.724 5.819 -9.955 160 HG22 THR 21 HG22 THR 21 -16.772 5.650 -8.549 161 HG23 THR 21 HG23 THR 21 -16.733 4.385 -9.779 162 H ASP 22 HN ASP 22 -12.858 6.522 -5.958 163 HA ASP 22 HA ASP 22 -11.144 4.357 -5.223 164 HB2 ASP 22 HB2 ASP 22 -10.174 5.820 -3.520 165 HB3 ASP 22 HB1 ASP 22 -10.351 6.687 -5.033 166 H GLY 23 HN GLY 23 -10.920 4.398 -2.497 167 HA2 GLY 23 HA2 GLY 23 -12.902 2.479 -1.813 168 HA3 GLY 23 HA1 GLY 23 -11.627 3.071 -0.768 169 H THR 24 HN THR 24 -12.455 3.818 1.056 170 HA THR 24 HA THR 24 -14.626 5.681 1.028 171 HB THR 24 HB THR 24 -15.868 3.614 1.011 172 HG1 THR 24 HG1 THR 24 -15.972 4.257 3.746 173 HG21 THR 24 HG21 THR 24 -14.170 2.038 1.769 174 HG22 THR 24 HG22 THR 24 -15.623 1.864 2.758 175 HG23 THR 24 HG23 THR 24 -14.221 2.732 3.387 176 H ASP 25 HN ASP 25 -13.763 7.223 2.162 177 HA ASP 25 HA ASP 25 -12.640 8.454 3.672 178 HB2 ASP 25 HB2 ASP 25 -13.099 6.074 5.508 179 HB3 ASP 25 HB1 ASP 25 -12.454 7.623 6.039 180 H LEU 26 HN LEU 26 -11.274 7.014 1.834 181 HA LEU 26 HA LEU 26 -9.078 5.558 3.014 182 HB2 LEU 26 HB2 LEU 26 -10.332 5.132 0.805 183 HB3 LEU 26 HB1 LEU 26 -9.348 6.423 0.152 184 HG LEU 26 HG LEU 26 -7.325 5.113 0.788 185 HD11 LEU 26 HD11 LEU 26 -8.308 3.784 2.552 186 HD12 LEU 26 HD12 LEU 26 -7.651 2.723 1.300 187 HD13 LEU 26 HD13 LEU 26 -9.390 3.011 1.397 188 HD21 LEU 26 HD21 LEU 26 -9.279 3.734 -1.064 189 HD22 LEU 26 HD22 LEU 26 -7.525 3.517 -1.053 190 HD23 LEU 26 HD23 LEU 26 -8.217 5.075 -1.497 191 H SER 27 HN SER 27 -9.302 8.347 3.734 192 HA SER 27 HA SER 27 -6.621 9.195 3.114 193 HB2 SER 27 HB2 SER 27 -9.039 10.941 2.615 194 HB3 SER 27 HB1 SER 27 -7.362 11.499 2.565 195 HG SER 27 HG SER 27 -7.854 9.267 1.066 196 H GLY 28 HN GLY 28 -5.811 9.319 5.114 197 HA2 GLY 28 HA2 GLY 28 -5.898 10.776 7.124 198 HA3 GLY 28 HA1 GLY 28 -7.570 10.233 7.273 199 H ASP 29 HN ASP 29 -7.624 8.885 8.942 200 HA ASP 29 HA ASP 29 -5.462 6.965 9.219 201 HB2 ASP 29 HB2 ASP 29 -6.383 6.319 11.395 202 HB3 ASP 29 HB1 ASP 29 -6.206 8.059 11.317 203 H PHE 30 HN PHE 30 -5.582 5.496 7.785 204 HA PHE 30 HA PHE 30 -7.982 3.835 7.763 205 HB2 PHE 30 HB2 PHE 30 -7.877 3.598 5.305 206 HB3 PHE 30 HB1 PHE 30 -8.173 5.257 5.792 207 HD1 PHE 30 HD1 PHE 30 -6.436 6.967 5.456 208 HD2 PHE 30 HD2 PHE 30 -5.874 2.961 4.143 209 HE1 PHE 30 HE1 PHE 30 -4.587 7.702 4.015 210 HE2 PHE 30 HE2 PHE 30 -4.017 3.688 2.704 211 HZ PHE 30 HZ PHE 30 -3.373 6.061 2.637 212 H LEU 31 HN LEU 31 -5.108 3.710 8.831 213 HA LEU 31 HA LEU 31 -3.814 1.726 7.272 214 HB2 LEU 31 HB2 LEU 31 -3.244 3.107 9.798 215 HB3 LEU 31 HB1 LEU 31 -2.593 1.488 9.681 216 HG LEU 31 HG LEU 31 -1.251 2.066 7.785 217 HD11 LEU 31 HD11 LEU 31 -1.264 4.246 6.766 218 HD12 LEU 31 HD12 LEU 31 -2.620 4.747 7.789 219 HD13 LEU 31 HD13 LEU 31 -2.826 3.452 6.598 220 HD21 LEU 31 HD21 LEU 31 -1.165 4.271 9.818 221 HD22 LEU 31 HD22 LEU 31 0.115 3.885 8.671 222 HD23 LEU 31 HD23 LEU 31 -0.332 2.717 9.925 223 H ASP 32 HN ASP 32 -6.151 1.534 9.813 224 HA ASP 32 HA ASP 32 -5.674 -1.356 9.956 225 HB2 ASP 32 HB2 ASP 32 -5.814 -0.143 12.106 226 HB3 ASP 32 HB1 ASP 32 -7.446 0.371 11.699 227 H LEU 33 HN LEU 33 -7.400 0.663 8.108 228 HA LEU 33 HA LEU 33 -9.879 -0.787 8.060 229 HB2 LEU 33 HB2 LEU 33 -8.764 1.440 6.361 230 HB3 LEU 33 HB1 LEU 33 -10.199 0.578 5.863 231 HG LEU 33 HG LEU 33 -11.353 1.330 7.923 232 HD11 LEU 33 HD11 LEU 33 -10.416 3.100 9.302 233 HD12 LEU 33 HD12 LEU 33 -8.885 2.972 8.439 234 HD13 LEU 33 HD13 LEU 33 -9.461 1.621 9.417 235 HD21 LEU 33 HD21 LEU 33 -11.605 2.585 5.875 236 HD22 LEU 33 HD22 LEU 33 -10.166 3.535 6.254 237 HD23 LEU 33 HD23 LEU 33 -11.605 3.671 7.264 238 H ARG 34 HN ARG 34 -9.671 -2.792 7.533 239 HA ARG 34 HA ARG 34 -7.806 -4.099 5.963 240 HB2 ARG 34 HB2 ARG 34 -10.704 -4.795 6.366 241 HB3 ARG 34 HB1 ARG 34 -9.513 -5.873 5.665 242 HG2 ARG 34 HG2 ARG 34 -8.346 -6.046 7.717 243 HG3 ARG 34 HG1 ARG 34 -9.280 -4.720 8.430 244 HD2 ARG 34 HD2 ARG 34 -10.402 -7.370 7.523 245 HD3 ARG 34 HD1 ARG 34 -10.086 -6.909 9.200 246 HE ARG 34 HE ARG 34 -11.616 -4.939 8.501 247 HH11 ARG 34 HH11 ARG 34 -12.097 -8.408 7.771 248 HH12 ARG 34 HH12 ARG 34 -13.792 -8.302 7.734 249 HH21 ARG 34 HH21 ARG 34 -13.990 -4.842 8.455 250 HH22 ARG 34 HH22 ARG 34 -14.896 -6.239 8.147 251 H PHE 35 HN PHE 35 -7.551 -4.554 3.855 252 HA PHE 35 HA PHE 35 -8.816 -2.957 1.899 253 HB2 PHE 35 HB2 PHE 35 -7.225 -5.500 1.582 254 HB3 PHE 35 HB1 PHE 35 -7.719 -4.456 0.253 255 HD1 PHE 35 HD2 PHE 35 -7.048 -1.922 0.613 256 HD2 PHE 35 HD1 PHE 35 -5.128 -5.244 2.418 257 HE1 PHE 35 HE2 PHE 35 -5.044 -0.560 0.966 258 HE2 PHE 35 HE1 PHE 35 -3.118 -3.880 2.782 259 HZ PHE 35 HZ PHE 35 -3.007 -1.607 1.893 260 H GLU 36 HN GLU 36 -9.410 -6.092 3.176 261 HA GLU 36 HA GLU 36 -11.272 -7.095 1.344 262 HB2 GLU 36 HB2 GLU 36 -11.246 -7.554 4.326 263 HB3 GLU 36 HB1 GLU 36 -11.909 -8.612 3.095 264 HG2 GLU 36 HG2 GLU 36 -9.584 -8.901 2.206 265 HG3 GLU 36 HG1 GLU 36 -9.033 -7.979 3.612 266 H ASP 37 HN ASP 37 -11.506 -4.649 3.787 267 HA ASP 37 HA ASP 37 -14.406 -4.745 3.888 268 HB2 ASP 37 HB2 ASP 37 -13.223 -4.325 5.985 269 HB3 ASP 37 HB1 ASP 37 -12.445 -2.910 5.281 270 H ILE 38 HN ILE 38 -11.814 -2.757 2.608 271 HA ILE 38 HA ILE 38 -13.712 -0.788 1.689 272 HB ILE 38 HB ILE 38 -11.799 0.459 0.761 273 HG12 ILE 38 HG12 ILE 38 -10.120 -1.803 1.890 274 HG13 ILE 38 HG11 ILE 38 -10.382 -1.485 0.181 275 HG21 ILE 38 HG21 ILE 38 -11.442 -0.427 3.626 276 HG22 ILE 38 HG22 ILE 38 -12.487 0.872 3.054 277 HG23 ILE 38 HG23 ILE 38 -10.734 1.020 2.909 278 HD11 ILE 38 HD11 ILE 38 -8.966 0.321 2.127 279 HD12 ILE 38 HD12 ILE 38 -9.222 0.654 0.414 280 HD13 ILE 38 HD13 ILE 38 -8.205 -0.700 0.908 281 H GLY 39 HN GLY 39 -13.058 -3.684 0.551 282 HA2 GLY 39 HA2 GLY 39 -13.888 -4.602 -1.409 283 HA3 GLY 39 HA1 GLY 39 -14.130 -2.980 -2.028 284 H TYR 40 HN TYR 40 -10.989 -3.936 -0.826 285 HA TYR 40 HA TYR 40 -10.046 -3.761 -3.567 286 HB2 TYR 40 HB2 TYR 40 -8.960 -2.889 -1.019 287 HB3 TYR 40 HB1 TYR 40 -7.839 -3.899 -1.945 288 HD1 TYR 40 HD1 TYR 40 -9.816 -0.779 -2.049 289 HD2 TYR 40 HD2 TYR 40 -6.826 -3.163 -3.895 290 HE1 TYR 40 HE1 TYR 40 -9.245 1.093 -3.539 291 HE2 TYR 40 HE2 TYR 40 -6.231 -1.327 -5.368 292 HH TYR 40 HH TYR 40 -7.050 1.771 -4.883 293 H ASP 41 HN ASP 41 -9.061 -5.354 -4.550 294 HA ASP 41 HA ASP 41 -9.079 -7.962 -3.267 295 HB2 ASP 41 HB2 ASP 41 -8.388 -7.131 -6.111 296 HB3 ASP 41 HB1 ASP 41 -8.439 -8.788 -5.531 297 H SER 42 HN SER 42 -7.163 -9.148 -2.903 298 HA SER 42 HA SER 42 -4.876 -7.691 -2.275 299 HB2 SER 42 HB2 SER 42 -5.068 -10.666 -2.769 300 HB3 SER 42 HB1 SER 42 -3.881 -9.830 -1.752 301 H LEU 43 HN LEU 43 -5.921 -9.014 -5.218 302 HA LEU 43 HA LEU 43 -3.419 -9.228 -6.547 303 HB2 LEU 43 HB2 LEU 43 -5.645 -10.343 -7.107 304 HB3 LEU 43 HB1 LEU 43 -6.162 -8.808 -7.754 305 HG LEU 43 HG LEU 43 -3.809 -10.373 -8.837 306 HD11 LEU 43 HD11 LEU 43 -5.335 -11.091 -10.597 307 HD12 LEU 43 HD12 LEU 43 -6.669 -10.294 -9.761 308 HD13 LEU 43 HD13 LEU 43 -5.855 -11.669 -9.013 309 HD21 LEU 43 HD21 LEU 43 -4.129 -8.985 -10.829 310 HD22 LEU 43 HD22 LEU 43 -3.815 -7.977 -9.416 311 HD23 LEU 43 HD23 LEU 43 -5.457 -8.138 -10.037 312 H ALA 44 HN ALA 44 -5.789 -6.673 -5.999 313 HA ALA 44 HA ALA 44 -4.641 -4.796 -7.830 314 HB1 ALA 44 HB1 ALA 44 -6.523 -4.344 -5.511 315 HB2 ALA 44 HB2 ALA 44 -7.005 -4.678 -7.176 316 HB3 ALA 44 HB3 ALA 44 -6.145 -3.188 -6.786 317 H LEU 45 HN LEU 45 -4.232 -5.702 -4.539 318 HA LEU 45 HA LEU 45 -2.881 -3.451 -3.553 319 HB2 LEU 45 HB2 LEU 45 -2.542 -6.333 -2.764 320 HB3 LEU 45 HB1 LEU 45 -2.019 -4.950 -1.821 321 HG LEU 45 HG LEU 45 -4.850 -5.680 -2.496 322 HD11 LEU 45 HD11 LEU 45 -3.789 -7.112 -0.804 323 HD12 LEU 45 HD12 LEU 45 -5.054 -6.093 -0.118 324 HD13 LEU 45 HD13 LEU 45 -3.359 -5.672 0.116 325 HD21 LEU 45 HD21 LEU 45 -3.707 -3.397 -0.918 326 HD22 LEU 45 HD22 LEU 45 -5.422 -3.803 -1.026 327 HD23 LEU 45 HD23 LEU 45 -4.540 -3.279 -2.467 328 H MET 46 HN MET 46 -1.909 -6.197 -5.358 329 HA MET 46 HA MET 46 0.881 -5.974 -5.173 330 HB2 MET 46 HB2 MET 46 -0.817 -7.007 -7.452 331 HB3 MET 46 HB1 MET 46 0.912 -7.276 -7.272 332 HG2 MET 46 HG2 MET 46 0.582 -8.621 -5.336 333 HG3 MET 46 HG1 MET 46 -1.125 -8.185 -5.254 334 HE1 MET 46 HE1 MET 46 -1.262 -11.998 -6.238 335 HE2 MET 46 HE2 MET 46 -1.804 -10.769 -5.091 336 HE3 MET 46 HE3 MET 46 -0.100 -11.222 -5.162 337 H GLU 47 HN GLU 47 -1.529 -4.433 -7.239 338 HA GLU 47 HA GLU 47 0.348 -3.157 -8.970 339 HB2 GLU 47 HB2 GLU 47 -2.189 -3.633 -9.375 340 HB3 GLU 47 HB1 GLU 47 -2.447 -2.180 -8.432 341 HG2 GLU 47 HG2 GLU 47 -1.034 -0.928 -10.026 342 HG3 GLU 47 HG1 GLU 47 -0.939 -2.379 -11.021 343 H THR 48 HN THR 48 -1.375 -2.321 -6.018 344 HA THR 48 HA THR 48 -0.704 0.370 -5.757 345 HB THR 48 HB THR 48 -0.926 -1.666 -3.516 346 HG1 THR 48 HG1 THR 48 -2.853 -0.442 -5.193 347 HG21 THR 48 HG21 THR 48 -1.603 1.284 -3.659 348 HG22 THR 48 HG22 THR 48 -0.206 0.596 -2.830 349 HG23 THR 48 HG23 THR 48 -1.836 0.249 -2.254 350 H ALA 49 HN ALA 49 0.945 -2.534 -4.470 351 HA ALA 49 HA ALA 49 3.193 -1.161 -3.467 352 HB1 ALA 49 HB1 ALA 49 2.967 -4.055 -4.294 353 HB2 ALA 49 HB2 ALA 49 2.559 -3.402 -2.705 354 HB3 ALA 49 HB3 ALA 49 4.227 -3.362 -3.273 355 H ALA 50 HN ALA 50 2.528 -2.700 -6.583 356 HA ALA 50 HA ALA 50 5.021 -2.635 -7.746 357 HB1 ALA 50 HB1 ALA 50 2.394 -2.136 -9.134 358 HB2 ALA 50 HB2 ALA 50 3.058 -3.720 -8.738 359 HB3 ALA 50 HB3 ALA 50 3.895 -2.677 -9.887 360 H ARG 51 HN ARG 51 2.633 -0.040 -7.628 361 HA ARG 51 HA ARG 51 4.242 1.651 -9.256 362 HB2 ARG 51 HB2 ARG 51 2.639 3.373 -8.892 363 HB3 ARG 51 HB1 ARG 51 1.742 1.870 -8.996 364 HG2 ARG 51 HG2 ARG 51 1.693 1.846 -6.494 365 HG3 ARG 51 HG1 ARG 51 2.371 3.475 -6.542 366 HD2 ARG 51 HD2 ARG 51 0.068 3.763 -6.349 367 HD3 ARG 51 HD1 ARG 51 0.419 4.075 -8.053 368 HE ARG 51 HE ARG 51 -0.842 1.703 -6.906 369 HH11 ARG 51 HH11 ARG 51 -0.288 3.820 -9.705 370 HH12 ARG 51 HH12 ARG 51 -1.194 2.857 -10.784 371 HH21 ARG 51 HH21 ARG 51 -2.148 0.467 -8.369 372 HH22 ARG 51 HH22 ARG 51 -2.312 0.875 -9.999 373 H LEU 52 HN LEU 52 4.107 0.974 -5.867 374 HA LEU 52 HA LEU 52 5.638 3.261 -5.029 375 HB2 LEU 52 HB2 LEU 52 4.910 0.691 -3.625 376 HB3 LEU 52 HB1 LEU 52 5.841 1.974 -2.876 377 HG LEU 52 HG LEU 52 3.021 2.297 -3.921 378 HD11 LEU 52 HD11 LEU 52 3.075 0.786 -2.012 379 HD12 LEU 52 HD12 LEU 52 2.362 2.337 -1.568 380 HD13 LEU 52 HD13 LEU 52 4.023 1.962 -1.101 381 HD21 LEU 52 HD21 LEU 52 4.758 4.104 -2.239 382 HD22 LEU 52 HD22 LEU 52 3.079 4.409 -2.685 383 HD23 LEU 52 HD23 LEU 52 4.331 4.366 -3.930 384 H GLU 53 HN GLU 53 6.338 0.064 -6.140 385 HA GLU 53 HA GLU 53 9.010 -0.177 -5.408 386 HB2 GLU 53 HB2 GLU 53 7.649 -1.059 -7.955 387 HB3 GLU 53 HB1 GLU 53 9.256 -1.564 -7.462 388 HG2 GLU 53 HG2 GLU 53 8.303 -2.634 -5.484 389 HG3 GLU 53 HG1 GLU 53 6.691 -2.129 -6.001 390 H SER 54 HN SER 54 7.617 1.251 -8.340 391 HA SER 54 HA SER 54 10.112 2.277 -9.244 392 HB2 SER 54 HB2 SER 54 7.303 2.975 -10.112 393 HB3 SER 54 HB1 SER 54 8.788 3.239 -11.027 394 HG SER 54 HG SER 54 9.078 1.007 -11.146 395 H ARG 55 HN ARG 55 7.607 3.396 -7.170 396 HA ARG 55 HA ARG 55 8.008 6.209 -7.343 397 HB2 ARG 55 HB2 ARG 55 5.924 5.234 -6.445 398 HB3 ARG 55 HB1 ARG 55 6.821 4.509 -5.136 399 HG2 ARG 55 HG2 ARG 55 5.575 6.359 -4.325 400 HG3 ARG 55 HG1 ARG 55 7.279 6.775 -4.276 401 HD2 ARG 55 HD2 ARG 55 7.039 8.167 -6.220 402 HD3 ARG 55 HD1 ARG 55 5.372 7.626 -6.453 403 HE ARG 55 HE ARG 55 5.533 8.698 -3.872 404 HH11 ARG 55 HH11 ARG 55 5.886 9.969 -7.169 405 HH12 ARG 55 HH12 ARG 55 5.244 11.488 -6.779 406 HH21 ARG 55 HH21 ARG 55 4.751 10.683 -3.341 407 HH22 ARG 55 HH22 ARG 55 4.657 11.963 -4.502 408 H TYR 56 HN TYR 56 9.326 3.713 -5.138 409 HA TYR 56 HA TYR 56 11.161 5.782 -4.159 410 HB2 TYR 56 HB2 TYR 56 9.806 3.608 -2.618 411 HB3 TYR 56 HB1 TYR 56 11.313 4.318 -2.033 412 HD1 TYR 56 HD2 TYR 56 7.818 4.945 -2.833 413 HD2 TYR 56 HD1 TYR 56 11.382 6.588 -1.223 414 HE1 TYR 56 HE2 TYR 56 6.517 6.761 -1.853 415 HE2 TYR 56 HE1 TYR 56 10.114 8.404 -0.220 416 HH TYR 56 HH TYR 56 7.929 9.549 -0.380 417 H GLY 57 HN GLY 57 11.283 3.281 -6.128 418 HA2 GLY 57 HA2 GLY 57 13.126 2.243 -7.044 419 HA3 GLY 57 HA1 GLY 57 14.135 3.138 -5.915 420 H VAL 58 HN VAL 58 11.633 0.647 -5.706 421 HA VAL 58 HA VAL 58 13.506 -1.088 -4.312 422 HB VAL 58 HB VAL 58 12.194 0.270 -2.622 423 HG11 VAL 58 HG11 VAL 58 10.113 0.531 -3.721 424 HG12 VAL 58 HG12 VAL 58 9.854 -0.258 -2.167 425 HG13 VAL 58 HG13 VAL 58 9.803 -1.205 -3.655 426 HG21 VAL 58 HG21 VAL 58 11.623 -1.555 -1.117 427 HG22 VAL 58 HG22 VAL 58 13.138 -1.900 -1.958 428 HG23 VAL 58 HG23 VAL 58 11.640 -2.695 -2.455 429 H SER 59 HN SER 59 12.345 -3.370 -4.102 430 HA SER 59 HA SER 59 10.350 -3.774 -6.189 431 HB2 SER 59 HB2 SER 59 12.889 -5.393 -5.811 432 HB3 SER 59 HB1 SER 59 11.560 -5.833 -6.887 433 HG SER 59 HG SER 59 11.881 -3.787 -7.891 434 H ILE 60 HN ILE 60 8.719 -4.962 -5.485 435 HA ILE 60 HA ILE 60 9.125 -6.740 -3.215 436 HB ILE 60 HB ILE 60 6.972 -4.593 -3.338 437 HG12 ILE 60 HG12 ILE 60 9.131 -5.193 -1.299 438 HG13 ILE 60 HG11 ILE 60 9.122 -3.847 -2.428 439 HG21 ILE 60 HG21 ILE 60 7.164 -6.899 -1.395 440 HG22 ILE 60 HG22 ILE 60 5.927 -6.682 -2.628 441 HG23 ILE 60 HG23 ILE 60 6.034 -5.551 -1.276 442 HD11 ILE 60 HD11 ILE 60 7.168 -2.928 -1.294 443 HD12 ILE 60 HD12 ILE 60 8.527 -3.145 -0.189 444 HD13 ILE 60 HD13 ILE 60 7.182 -4.288 -0.175 445 HA PRO 61 HA PRO 61 7.200 -9.472 -6.111 446 HB2 PRO 61 HB2 PRO 61 6.764 -11.060 -3.636 447 HB3 PRO 61 HB1 PRO 61 7.521 -11.537 -5.158 448 HG2 PRO 61 HG2 PRO 61 9.006 -11.063 -3.008 449 HG3 PRO 61 HG1 PRO 61 9.546 -10.543 -4.617 450 HD2 PRO 61 HD2 PRO 61 8.353 -8.930 -2.403 451 HD3 PRO 61 HD1 PRO 61 9.662 -8.507 -3.526 452 H ASP 62 HN ASP 62 5.233 -10.023 -6.719 453 HA ASP 62 HA ASP 62 2.961 -8.632 -5.900 454 HB2 ASP 62 HB2 ASP 62 3.094 -11.248 -7.425 455 HB3 ASP 62 HB1 ASP 62 1.668 -10.231 -7.295 456 H ASP 63 HN ASP 63 3.971 -11.931 -5.232 457 HA ASP 63 HA ASP 63 1.804 -12.865 -3.766 458 HB2 ASP 63 HB2 ASP 63 3.460 -14.442 -4.348 459 HB3 ASP 63 HB1 ASP 63 4.739 -13.508 -3.594 460 H VAL 64 HN VAL 64 4.514 -10.998 -2.623 461 HA VAL 64 HA VAL 64 3.959 -11.031 0.163 462 HB VAL 64 HB VAL 64 5.312 -8.945 -1.535 463 HG11 VAL 64 HG11 VAL 64 6.469 -8.282 0.573 464 HG12 VAL 64 HG12 VAL 64 5.483 -9.449 1.455 465 HG13 VAL 64 HG13 VAL 64 4.722 -8.060 0.677 466 HG21 VAL 64 HG21 VAL 64 6.363 -11.107 -1.779 467 HG22 VAL 64 HG22 VAL 64 6.469 -11.284 -0.025 468 HG23 VAL 64 HG23 VAL 64 7.413 -10.040 -0.845 469 H ALA 65 HN ALA 65 3.202 -8.655 -2.343 470 HA ALA 65 HA ALA 65 1.748 -6.905 -0.675 471 HB1 ALA 65 HB1 ALA 65 0.992 -5.863 -2.740 472 HB2 ALA 65 HB2 ALA 65 1.568 -7.248 -3.666 473 HB3 ALA 65 HB3 ALA 65 2.719 -6.216 -2.815 474 H GLY 66 HN GLY 66 0.855 -9.762 -2.457 475 HA2 GLY 66 HA2 GLY 66 -1.981 -9.304 -2.185 476 HA3 GLY 66 HA1 GLY 66 -1.208 -10.731 -2.854 477 H ARG 67 HN ARG 67 -0.264 -9.588 0.259 478 HA ARG 67 HA ARG 67 -1.901 -11.690 1.556 479 HB2 ARG 67 HB2 ARG 67 0.901 -10.901 2.309 480 HB3 ARG 67 HB1 ARG 67 -0.097 -12.086 3.121 481 HG2 ARG 67 HG2 ARG 67 0.018 -13.532 1.173 482 HG3 ARG 67 HG1 ARG 67 0.984 -12.309 0.322 483 HD2 ARG 67 HD2 ARG 67 2.600 -12.383 2.181 484 HD3 ARG 67 HD1 ARG 67 1.683 -13.706 2.877 485 HE ARG 67 HE ARG 67 2.511 -14.258 0.212 486 HH11 ARG 67 HH11 ARG 67 3.587 -14.111 3.586 487 HH12 ARG 67 HH12 ARG 67 4.896 -15.170 3.399 488 HH21 ARG 67 HH21 ARG 67 4.360 -15.651 -0.086 489 HH22 ARG 67 HH22 ARG 67 5.336 -16.098 1.265 490 H VAL 68 HN VAL 68 -1.108 -8.405 1.436 491 HA VAL 68 HA VAL 68 -1.120 -7.988 4.261 492 HB VAL 68 HB VAL 68 -1.002 -5.533 3.725 493 HG11 VAL 68 HG11 VAL 68 1.297 -5.658 2.884 494 HG12 VAL 68 HG12 VAL 68 1.026 -7.342 2.435 495 HG13 VAL 68 HG13 VAL 68 0.977 -6.863 4.132 496 HG21 VAL 68 HG21 VAL 68 -2.103 -5.575 1.521 497 HG22 VAL 68 HG22 VAL 68 -0.755 -6.536 0.893 498 HG23 VAL 68 HG23 VAL 68 -0.477 -4.884 1.428 499 H ASP 69 HN ASP 69 -2.645 -7.789 5.500 500 HA ASP 69 HA ASP 69 -5.396 -7.894 4.795 501 HB2 ASP 69 HB2 ASP 69 -4.113 -7.194 7.442 502 HB3 ASP 69 HB1 ASP 69 -5.826 -7.467 7.206 503 H THR 70 HN THR 70 -3.470 -5.309 6.304 504 HA THR 70 HA THR 70 -5.548 -3.394 5.553 505 HB THR 70 HB THR 70 -4.908 -2.176 7.642 506 HG1 THR 70 HG1 THR 70 -3.588 -3.189 9.120 507 HG21 THR 70 HG21 THR 70 -6.857 -3.672 7.662 508 HG22 THR 70 HG22 THR 70 -6.025 -3.696 9.217 509 HG23 THR 70 HG23 THR 70 -5.811 -5.028 8.083 510 HA PRO 71 HA PRO 71 -2.458 -0.894 3.523 511 HB2 PRO 71 HB2 PRO 71 -3.336 1.393 5.219 512 HB3 PRO 71 HB1 PRO 71 -3.223 1.276 3.459 513 HG2 PRO 71 HG2 PRO 71 -5.586 1.167 4.621 514 HG3 PRO 71 HG1 PRO 71 -5.204 0.056 3.287 515 HD2 PRO 71 HD2 PRO 71 -5.231 -0.468 6.236 516 HD3 PRO 71 HD1 PRO 71 -5.863 -1.467 4.909 517 H ARG 72 HN ARG 72 -2.616 -0.806 7.002 518 HA ARG 72 HA ARG 72 -0.258 0.519 7.661 519 HB2 ARG 72 HB2 ARG 72 -1.944 -0.276 9.291 520 HB3 ARG 72 HB1 ARG 72 -1.432 -1.929 8.992 521 HG2 ARG 72 HG2 ARG 72 0.904 -1.070 9.730 522 HG3 ARG 72 HG1 ARG 72 -0.015 0.257 10.448 523 HD2 ARG 72 HD2 ARG 72 -0.365 -2.685 10.997 524 HD3 ARG 72 HD1 ARG 72 0.333 -1.490 12.083 525 HE ARG 72 HE ARG 72 -1.834 -0.503 12.298 526 HH11 ARG 72 HH11 ARG 72 -1.832 -3.724 10.719 527 HH12 ARG 72 HH12 ARG 72 -3.430 -4.079 11.247 528 HH21 ARG 72 HH21 ARG 72 -3.931 -0.998 12.909 529 HH22 ARG 72 HH22 ARG 72 -4.722 -2.450 12.474 530 H GLU 73 HN GLU 73 -0.958 -2.856 6.872 531 HA GLU 73 HA GLU 73 1.608 -3.943 7.352 532 HB2 GLU 73 HB2 GLU 73 -0.445 -5.074 5.460 533 HB3 GLU 73 HB1 GLU 73 0.750 -5.944 6.400 534 HG2 GLU 73 HG2 GLU 73 -1.722 -4.578 7.442 535 HG3 GLU 73 HG1 GLU 73 -1.446 -6.309 7.305 536 H LEU 74 HN LEU 74 -0.053 -2.690 4.545 537 HA LEU 74 HA LEU 74 1.824 -3.464 2.546 538 HB2 LEU 74 HB2 LEU 74 -0.672 -2.646 2.376 539 HB3 LEU 74 HB1 LEU 74 0.022 -1.048 2.356 540 HG LEU 74 HG LEU 74 0.446 -3.208 0.264 541 HD11 LEU 74 HD11 LEU 74 -1.126 -0.669 0.165 542 HD12 LEU 74 HD12 LEU 74 -1.761 -2.315 0.220 543 HD13 LEU 74 HD13 LEU 74 -0.843 -1.770 -1.184 544 HD21 LEU 74 HD21 LEU 74 2.436 -1.759 0.439 545 HD22 LEU 74 HD22 LEU 74 1.408 -0.337 0.262 546 HD23 LEU 74 HD23 LEU 74 1.563 -1.484 -1.069 547 H LEU 75 HN LEU 75 1.304 -0.483 4.402 548 HA LEU 75 HA LEU 75 3.375 1.092 3.341 549 HB2 LEU 75 HB2 LEU 75 1.522 1.911 4.781 550 HB3 LEU 75 HB1 LEU 75 2.225 1.068 6.141 551 HG LEU 75 HG LEU 75 4.223 2.552 5.953 552 HD11 LEU 75 HD11 LEU 75 2.508 4.027 3.965 553 HD12 LEU 75 HD12 LEU 75 4.012 3.174 3.619 554 HD13 LEU 75 HD13 LEU 75 4.027 4.606 4.649 555 HD21 LEU 75 HD21 LEU 75 3.120 4.511 6.928 556 HD22 LEU 75 HD22 LEU 75 2.460 3.005 7.567 557 HD23 LEU 75 HD23 LEU 75 1.562 3.913 6.354 558 H ASP 76 HN ASP 76 3.222 -1.160 6.010 559 HA ASP 76 HA ASP 76 5.759 -0.890 7.131 560 HB2 ASP 76 HB2 ASP 76 3.902 -2.092 8.185 561 HB3 ASP 76 HB1 ASP 76 4.002 -3.342 6.958 562 H LEU 77 HN LEU 77 4.659 -2.842 4.415 563 HA LEU 77 HA LEU 77 6.955 -4.409 4.004 564 HB2 LEU 77 HB2 LEU 77 5.063 -3.313 1.923 565 HB3 LEU 77 HB1 LEU 77 6.206 -4.604 1.654 566 HG LEU 77 HG LEU 77 3.789 -4.701 3.446 567 HD11 LEU 77 HD11 LEU 77 2.966 -6.305 1.788 568 HD12 LEU 77 HD12 LEU 77 4.407 -6.026 0.809 569 HD13 LEU 77 HD13 LEU 77 3.256 -4.719 1.077 570 HD21 LEU 77 HD21 LEU 77 5.618 -6.061 4.350 571 HD22 LEU 77 HD22 LEU 77 5.809 -6.852 2.785 572 HD23 LEU 77 HD23 LEU 77 4.326 -7.078 3.712 573 H ILE 78 HN ILE 78 6.028 -1.302 2.600 574 HA ILE 78 HA ILE 78 8.376 -0.981 1.033 575 HB ILE 78 HB ILE 78 6.668 1.299 2.075 576 HG12 ILE 78 HG12 ILE 78 5.183 -0.440 1.078 577 HG13 ILE 78 HG11 ILE 78 5.194 1.047 0.147 578 HG21 ILE 78 HG21 ILE 78 7.328 2.379 -0.036 579 HG22 ILE 78 HG22 ILE 78 8.280 0.956 -0.462 580 HG23 ILE 78 HG23 ILE 78 8.733 1.934 0.935 581 HD11 ILE 78 HD11 ILE 78 6.716 -0.002 -1.471 582 HD12 ILE 78 HD12 ILE 78 5.203 -0.891 -1.302 583 HD13 ILE 78 HD13 ILE 78 6.669 -1.492 -0.526 584 H ASN 79 HN ASN 79 7.342 0.304 4.187 585 HA ASN 79 HA ASN 79 9.571 1.863 4.814 586 HB2 ASN 79 HB2 ASN 79 7.749 0.312 6.668 587 HB3 ASN 79 HB1 ASN 79 9.008 1.385 7.248 588 HD21 ASN 79 HD21 ASN 79 8.557 3.399 5.166 589 HD22 ASN 79 HD22 ASN 79 7.057 4.160 5.573 590 H GLY 80 HN GLY 80 8.987 -1.551 5.621 591 HA2 GLY 80 HA2 GLY 80 11.394 -2.010 6.961 592 HA3 GLY 80 HA1 GLY 80 10.386 -3.235 6.211 593 H ALA 81 HN ALA 81 10.542 -2.604 3.564 594 HA ALA 81 HA ALA 81 12.985 -3.750 2.825 595 HB1 ALA 81 HB1 ALA 81 10.943 -3.911 1.475 596 HB2 ALA 81 HB2 ALA 81 12.316 -3.326 0.530 597 HB3 ALA 81 HB3 ALA 81 11.081 -2.198 1.081 598 H LEU 82 HN LEU 82 11.989 -0.376 2.920 599 HA LEU 82 HA LEU 82 14.418 0.552 1.690 600 HB2 LEU 82 HB2 LEU 82 12.266 2.065 3.162 601 HB3 LEU 82 HB1 LEU 82 13.620 2.816 2.347 602 HG LEU 82 HG LEU 82 11.417 1.221 1.031 603 HD11 LEU 82 HD11 LEU 82 10.668 3.388 1.829 604 HD12 LEU 82 HD12 LEU 82 10.758 3.371 0.068 605 HD13 LEU 82 HD13 LEU 82 12.020 4.171 1.010 606 HD21 LEU 82 HD21 LEU 82 13.744 2.714 -0.189 607 HD22 LEU 82 HD22 LEU 82 12.426 1.959 -1.084 608 HD23 LEU 82 HD23 LEU 82 13.546 0.961 -0.155 609 H ALA 83 HN ALA 83 13.410 -0.152 4.911 610 HA ALA 83 HA ALA 83 15.465 1.423 6.157 611 HB1 ALA 83 HB1 ALA 83 13.719 -0.739 7.344 612 HB2 ALA 83 HB2 ALA 83 13.348 0.984 7.321 613 HB3 ALA 83 HB3 ALA 83 14.728 0.393 8.246 614 H GLU 84 HN GLU 84 14.898 -2.029 5.580 615 HA GLU 84 HA GLU 84 17.402 -2.836 6.706 616 HB2 GLU 84 HB2 GLU 84 15.616 -4.357 4.809 617 HB3 GLU 84 HB1 GLU 84 16.883 -5.031 5.818 618 HG2 GLU 84 HG2 GLU 84 15.605 -4.376 7.813 619 HG3 GLU 84 HG1 GLU 84 14.324 -3.771 6.762 620 H ALA 85 HN ALA 85 16.284 -1.800 3.644 621 HA ALA 85 HA ALA 85 17.178 -1.377 1.667 622 HB1 ALA 85 HB1 ALA 85 19.891 -1.892 2.904 623 HB2 ALA 85 HB2 ALA 85 19.071 -0.331 2.860 624 HB3 ALA 85 HB3 ALA 85 19.584 -1.098 1.359 625 H ALA 86 HN ALA 86 16.174 -3.037 0.757 626 HA ALA 86 HA ALA 86 17.797 -5.430 0.329 627 HB1 ALA 86 HB1 ALA 86 15.634 -5.857 1.387 628 HB2 ALA 86 HB2 ALA 86 15.686 -6.544 -0.237 629 HB3 ALA 86 HB3 ALA 86 14.816 -5.039 0.057 630 H282 PNS 87 H28A PNS 87 -7.325 -10.454 -3.046 631 H281 PNS 87 H28B PNS 87 -7.130 -12.204 -3.071 632 H303 PNS 87 H30A PNS 87 -9.681 -13.022 -1.840 633 H302 PNS 87 H30B PNS 87 -9.008 -13.668 -3.337 634 H301 PNS 87 H30C PNS 87 -10.662 -13.050 -3.305 635 H313 PNS 87 H31A PNS 87 -9.693 -9.498 -2.930 636 H312 PNS 87 H31B PNS 87 -10.107 -10.593 -1.615 637 H311 PNS 87 H31C PNS 87 -11.066 -10.592 -3.097 638 H32 PNS 87 H32A PNS 87 -8.827 -10.360 -5.090 639 H33 PNS 87 H33A PNS 87 -10.816 -10.620 -5.466 640 H36 PNS 87 H36A PNS 87 -9.879 -12.943 -6.429 641 H372 PNS 87 H37A PNS 87 -7.999 -13.676 -8.186 642 H371 PNS 87 H37B PNS 87 -7.469 -14.574 -6.760 643 H382 PNS 87 H38A PNS 87 -9.618 -15.725 -6.682 644 H381 PNS 87 H38B PNS 87 -10.185 -14.782 -8.044 645 H41 PNS 87 H41A PNS 87 -7.040 -15.341 -8.802 646 H422 PNS 87 H42A PNS 87 -6.160 -17.593 -9.444 647 H421 PNS 87 H42B PNS 87 -7.646 -17.719 -10.392 648 H431 PNS 87 H43A PNS 87 -5.538 -15.584 -10.683 649 H432 PNS 87 H43B PNS 87 -6.988 -15.743 -11.676 650 H44 PNS 87 H1 PNS 87 -4.318 -17.875 -11.595 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 16.926 7.390 5.519 2 H2 MET 1 HT2 MET 1 17.527 8.890 5.029 3 H3 MET 1 HT3 MET 1 18.338 7.999 6.226 4 HA MET 1 HA MET 1 19.452 7.923 4.093 5 HB2 MET 1 HB2 MET 1 19.630 6.025 5.682 6 HB3 MET 1 HB1 MET 1 18.217 5.288 4.942 7 HG2 MET 1 HG2 MET 1 19.462 5.108 2.821 8 HG3 MET 1 HG1 MET 1 20.881 5.777 3.623 9 HE1 MET 1 HE1 MET 1 21.671 2.962 6.270 10 HE2 MET 1 HE2 MET 1 20.661 4.388 6.507 11 HE3 MET 1 HE3 MET 1 22.175 4.520 5.615 12 H ALA 2 HN ALA 2 16.289 6.224 4.001 13 HA ALA 2 HA ALA 2 16.152 6.885 1.151 14 HB1 ALA 2 HB1 ALA 2 14.988 4.504 2.616 15 HB2 ALA 2 HB2 ALA 2 16.355 4.461 1.505 16 HB3 ALA 2 HB3 ALA 2 14.747 4.872 0.910 17 H THR 3 HN THR 3 13.834 7.187 0.457 18 HA THR 3 HA THR 3 12.632 8.805 2.542 19 HB THR 3 HB THR 3 12.987 9.999 0.476 20 HG1 THR 3 HG1 THR 3 10.244 9.629 0.214 21 HG21 THR 3 HG21 THR 3 13.031 8.139 -1.123 22 HG22 THR 3 HG22 THR 3 11.912 9.394 -1.657 23 HG23 THR 3 HG23 THR 3 11.294 7.916 -0.920 24 H LEU 4 HN LEU 4 11.334 7.746 3.810 25 HA LEU 4 HA LEU 4 9.805 5.481 2.914 26 HB2 LEU 4 HB2 LEU 4 9.730 6.940 5.554 27 HB3 LEU 4 HB1 LEU 4 8.980 5.394 5.212 28 HG LEU 4 HG LEU 4 11.939 5.965 5.277 29 HD11 LEU 4 HD11 LEU 4 10.926 5.928 7.464 30 HD12 LEU 4 HD12 LEU 4 11.923 4.496 7.218 31 HD13 LEU 4 HD13 LEU 4 10.165 4.380 7.109 32 HD21 LEU 4 HD21 LEU 4 10.488 3.362 4.790 33 HD22 LEU 4 HD22 LEU 4 12.231 3.557 4.974 34 HD23 LEU 4 HD23 LEU 4 11.403 4.278 3.594 35 H LEU 5 HN LEU 5 7.469 5.375 3.103 36 HA LEU 5 HA LEU 5 6.232 7.662 1.892 37 HB2 LEU 5 HB2 LEU 5 4.972 5.152 2.963 38 HB3 LEU 5 HB1 LEU 5 4.220 6.319 1.901 39 HG LEU 5 HG LEU 5 6.509 4.508 1.231 40 HD11 LEU 5 HD11 LEU 5 3.628 4.535 0.337 41 HD12 LEU 5 HD12 LEU 5 4.371 3.355 1.417 42 HD13 LEU 5 HD13 LEU 5 4.877 3.448 -0.269 43 HD21 LEU 5 HD21 LEU 5 5.022 6.487 -0.470 44 HD22 LEU 5 HD22 LEU 5 6.236 5.340 -1.041 45 HD23 LEU 5 HD23 LEU 5 6.693 6.627 0.076 46 H THR 6 HN THR 6 4.799 9.067 2.821 47 HA THR 6 HA THR 6 4.499 8.929 5.659 48 HB THR 6 HB THR 6 3.098 10.988 5.347 49 HG1 THR 6 HG1 THR 6 2.545 11.655 3.455 50 HG21 THR 6 HG21 THR 6 5.813 11.086 4.026 51 HG22 THR 6 HG22 THR 6 5.500 11.206 5.758 52 HG23 THR 6 HG23 THR 6 4.938 12.475 4.669 53 H THR 7 HN THR 7 1.982 9.532 6.238 54 HA THR 7 HA THR 7 0.547 7.165 5.698 55 HB THR 7 HB THR 7 -0.448 9.801 6.817 56 HG1 THR 7 HG1 THR 7 0.111 8.756 8.857 57 HG21 THR 7 HG21 THR 7 -2.190 8.141 6.282 58 HG22 THR 7 HG22 THR 7 -2.033 8.366 8.026 59 HG23 THR 7 HG23 THR 7 -1.337 6.941 7.254 60 H ASP 8 HN ASP 8 0.304 10.550 4.690 61 HA ASP 8 HA ASP 8 -1.996 10.156 3.079 62 HB2 ASP 8 HB2 ASP 8 -1.840 12.406 2.424 63 HB3 ASP 8 HB1 ASP 8 -1.185 12.384 4.051 64 H ASP 9 HN ASP 9 1.460 9.946 2.385 65 HA ASP 9 HA ASP 9 1.225 10.094 -0.446 66 HB2 ASP 9 HB2 ASP 9 3.395 10.286 0.909 67 HB3 ASP 9 HB1 ASP 9 3.375 8.528 0.994 68 H LEU 10 HN LEU 10 1.363 7.387 1.800 69 HA LEU 10 HA LEU 10 1.071 5.301 -0.062 70 HB2 LEU 10 HB2 LEU 10 1.725 4.894 2.255 71 HB3 LEU 10 HB1 LEU 10 0.167 5.463 2.819 72 HG LEU 10 HG LEU 10 -0.892 3.546 1.612 73 HD11 LEU 10 HD11 LEU 10 1.946 2.623 1.265 74 HD12 LEU 10 HD12 LEU 10 0.826 3.091 -0.014 75 HD13 LEU 10 HD13 LEU 10 0.506 1.654 0.955 76 HD21 LEU 10 HD21 LEU 10 -0.261 1.868 3.275 77 HD22 LEU 10 HD22 LEU 10 -0.487 3.457 4.007 78 HD23 LEU 10 HD23 LEU 10 1.139 2.840 3.719 79 H ARG 11 HN ARG 11 -1.264 7.167 1.791 80 HA ARG 11 HA ARG 11 -3.646 5.950 1.102 81 HB2 ARG 11 HB2 ARG 11 -3.454 7.727 2.776 82 HB3 ARG 11 HB1 ARG 11 -3.103 8.894 1.510 83 HG2 ARG 11 HG2 ARG 11 -5.357 8.475 0.572 84 HG3 ARG 11 HG1 ARG 11 -5.688 7.417 1.945 85 HD2 ARG 11 HD2 ARG 11 -4.971 10.341 2.119 86 HD3 ARG 11 HD1 ARG 11 -6.594 9.681 2.263 87 HE ARG 11 HE ARG 11 -5.229 8.363 4.188 88 HH11 ARG 11 HH11 ARG 11 -5.570 11.808 3.430 89 HH12 ARG 11 HH12 ARG 11 -5.449 12.335 5.030 90 HH21 ARG 11 HH21 ARG 11 -5.045 9.113 6.461 91 HH22 ARG 11 HH22 ARG 11 -5.102 10.794 6.755 92 H ARG 12 HN ARG 12 -2.094 8.693 -0.520 93 HA ARG 12 HA ARG 12 -4.004 8.971 -2.564 94 HB2 ARG 12 HB2 ARG 12 -1.098 9.785 -2.612 95 HB3 ARG 12 HB1 ARG 12 -2.362 10.397 -3.672 96 HG2 ARG 12 HG2 ARG 12 -3.525 11.350 -1.760 97 HG3 ARG 12 HG1 ARG 12 -2.279 10.722 -0.684 98 HD2 ARG 12 HD2 ARG 12 -1.819 13.020 -1.052 99 HD3 ARG 12 HD1 ARG 12 -0.625 12.089 -1.953 100 HE ARG 12 HE ARG 12 -1.841 12.560 -3.950 101 HH11 ARG 12 HH11 ARG 12 -2.691 14.509 -1.102 102 HH12 ARG 12 HH12 ARG 12 -3.289 15.828 -1.996 103 HH21 ARG 12 HH21 ARG 12 -2.747 14.390 -5.192 104 HH22 ARG 12 HH22 ARG 12 -3.407 15.719 -4.341 105 H ALA 13 HN ALA 13 -0.960 7.193 -2.457 106 HA ALA 13 HA ALA 13 -0.920 6.363 -5.155 107 HB1 ALA 13 HB1 ALA 13 1.034 6.214 -3.675 108 HB2 ALA 13 HB2 ALA 13 0.665 4.656 -4.417 109 HB3 ALA 13 HB3 ALA 13 0.223 4.960 -2.737 110 H LEU 14 HN LEU 14 -2.311 4.966 -2.273 111 HA LEU 14 HA LEU 14 -3.165 2.594 -3.563 112 HB2 LEU 14 HB2 LEU 14 -2.520 2.621 -1.358 113 HB3 LEU 14 HB1 LEU 14 -3.709 3.809 -0.870 114 HG LEU 14 HG LEU 14 -5.518 2.120 -1.337 115 HD11 LEU 14 HD11 LEU 14 -4.339 0.710 -2.921 116 HD12 LEU 14 HD12 LEU 14 -4.921 -0.236 -1.550 117 HD13 LEU 14 HD13 LEU 14 -3.216 0.206 -1.658 118 HD21 LEU 14 HD21 LEU 14 -5.140 0.793 0.672 119 HD22 LEU 14 HD22 LEU 14 -4.683 2.480 0.923 120 HD23 LEU 14 HD23 LEU 14 -3.438 1.257 0.663 121 H VAL 15 HN VAL 15 -4.530 5.754 -3.234 122 HA VAL 15 HA VAL 15 -7.192 4.902 -3.954 123 HB VAL 15 HB VAL 15 -5.933 7.660 -4.308 124 HG11 VAL 15 HG11 VAL 15 -8.244 8.474 -4.418 125 HG12 VAL 15 HG12 VAL 15 -8.829 6.813 -4.305 126 HG13 VAL 15 HG13 VAL 15 -7.900 7.326 -5.713 127 HG21 VAL 15 HG21 VAL 15 -7.677 6.631 -2.071 128 HG22 VAL 15 HG22 VAL 15 -7.125 8.295 -2.264 129 HG23 VAL 15 HG23 VAL 15 -5.959 7.008 -1.953 130 H GLU 16 HN GLU 16 -4.508 6.483 -5.635 131 HA GLU 16 HA GLU 16 -5.580 6.572 -8.185 132 HB2 GLU 16 HB2 GLU 16 -2.694 6.383 -7.377 133 HB3 GLU 16 HB1 GLU 16 -3.256 6.815 -8.980 134 HG2 GLU 16 HG2 GLU 16 -3.692 8.343 -6.433 135 HG3 GLU 16 HG1 GLU 16 -2.637 8.787 -7.776 136 H SER 17 HN SER 17 -4.339 3.786 -6.572 137 HA SER 17 HA SER 17 -3.556 2.281 -8.830 138 HB2 SER 17 HB2 SER 17 -4.728 1.171 -6.251 139 HB3 SER 17 HB1 SER 17 -3.734 0.316 -7.416 140 HG SER 17 HG SER 17 -2.738 2.650 -6.149 141 H ALA 18 HN ALA 18 -6.670 2.384 -7.071 142 HA ALA 18 HA ALA 18 -8.020 0.930 -9.170 143 HB1 ALA 18 HB1 ALA 18 -8.727 0.628 -6.851 144 HB2 ALA 18 HB2 ALA 18 -10.046 1.316 -7.802 145 HB3 ALA 18 HB3 ALA 18 -9.095 2.344 -6.729 146 H GLY 19 HN GLY 19 -7.529 4.202 -8.156 147 HA2 GLY 19 HA2 GLY 19 -7.583 5.706 -10.194 148 HA3 GLY 19 HA1 GLY 19 -9.261 5.174 -10.313 149 H GLU 20 HN GLU 20 -8.027 7.811 -9.794 150 HA GLU 20 HA GLU 20 -8.373 8.669 -7.190 151 HB2 GLU 20 HB2 GLU 20 -8.724 10.947 -8.205 152 HB3 GLU 20 HB1 GLU 20 -7.253 10.108 -8.667 153 HG2 GLU 20 HG2 GLU 20 -8.217 9.535 -10.810 154 HG3 GLU 20 HG1 GLU 20 -9.756 10.250 -10.331 155 H THR 21 HN THR 21 -10.036 8.153 -6.064 156 HA THR 21 HA THR 21 -12.091 8.043 -5.189 157 HB THR 21 HB THR 21 -12.957 10.161 -7.214 158 HG1 THR 21 HG1 THR 21 -11.733 10.406 -4.666 159 HG21 THR 21 HG21 THR 21 -13.906 9.585 -4.386 160 HG22 THR 21 HG22 THR 21 -14.793 9.177 -5.853 161 HG23 THR 21 HG23 THR 21 -14.513 10.869 -5.435 162 H ASP 22 HN ASP 22 -11.256 6.632 -7.758 163 HA ASP 22 HA ASP 22 -13.836 5.747 -8.809 164 HB2 ASP 22 HB2 ASP 22 -10.992 4.914 -9.450 165 HB3 ASP 22 HB1 ASP 22 -12.389 4.111 -10.132 166 H GLY 23 HN GLY 23 -11.376 4.872 -6.624 167 HA2 GLY 23 HA2 GLY 23 -12.193 2.148 -6.229 168 HA3 GLY 23 HA1 GLY 23 -11.091 3.064 -5.204 169 H THR 24 HN THR 24 -12.095 4.695 -3.761 170 HA THR 24 HA THR 24 -14.797 4.596 -3.106 171 HB THR 24 HB THR 24 -14.162 2.324 -2.217 172 HG1 THR 24 HG1 THR 24 -15.746 3.359 -1.091 173 HG21 THR 24 HG21 THR 24 -12.611 2.131 -0.308 174 HG22 THR 24 HG22 THR 24 -12.226 3.848 -0.454 175 HG23 THR 24 HG23 THR 24 -11.794 2.735 -1.751 176 H ASP 25 HN ASP 25 -14.599 5.480 -0.501 177 HA ASP 25 HA ASP 25 -12.958 7.857 -0.827 178 HB2 ASP 25 HB2 ASP 25 -15.240 8.194 0.053 179 HB3 ASP 25 HB1 ASP 25 -14.874 7.134 1.413 180 H LEU 26 HN LEU 26 -10.947 7.319 -0.531 181 HA LEU 26 HA LEU 26 -10.297 5.791 1.859 182 HB2 LEU 26 HB2 LEU 26 -9.551 4.843 -0.309 183 HB3 LEU 26 HB1 LEU 26 -8.615 6.290 -0.598 184 HG LEU 26 HG LEU 26 -7.212 5.751 1.364 185 HD11 LEU 26 HD11 LEU 26 -8.840 4.461 2.640 186 HD12 LEU 26 HD12 LEU 26 -7.364 3.533 2.370 187 HD13 LEU 26 HD13 LEU 26 -8.807 3.193 1.413 188 HD21 LEU 26 HD21 LEU 26 -6.531 5.079 -0.864 189 HD22 LEU 26 HD22 LEU 26 -7.453 3.587 -0.713 190 HD23 LEU 26 HD23 LEU 26 -6.047 3.864 0.320 191 H SER 27 HN SER 27 -10.661 7.651 3.067 192 HA SER 27 HA SER 27 -8.309 9.337 3.208 193 HB2 SER 27 HB2 SER 27 -10.081 10.560 1.915 194 HB3 SER 27 HB1 SER 27 -11.144 10.394 3.311 195 HG SER 27 HG SER 27 -10.310 12.215 3.854 196 H GLY 28 HN GLY 28 -8.365 10.495 5.366 197 HA2 GLY 28 HA2 GLY 28 -8.635 10.478 7.649 198 HA3 GLY 28 HA1 GLY 28 -9.956 9.329 7.444 199 H ASP 29 HN ASP 29 -9.179 8.103 9.177 200 HA ASP 29 HA ASP 29 -6.518 7.002 9.096 201 HB2 ASP 29 HB2 ASP 29 -8.876 6.335 10.883 202 HB3 ASP 29 HB1 ASP 29 -7.255 5.672 11.072 203 H PHE 30 HN PHE 30 -6.046 5.553 7.669 204 HA PHE 30 HA PHE 30 -8.157 3.629 6.932 205 HB2 PHE 30 HB2 PHE 30 -7.305 3.547 4.680 206 HB3 PHE 30 HB1 PHE 30 -7.606 5.218 5.127 207 HD1 PHE 30 HD1 PHE 30 -5.625 6.672 5.733 208 HD2 PHE 30 HD2 PHE 30 -5.198 2.823 3.974 209 HE1 PHE 30 HE1 PHE 30 -3.326 7.226 5.073 210 HE2 PHE 30 HE2 PHE 30 -2.896 3.371 3.317 211 HZ PHE 30 HZ PHE 30 -1.958 5.576 3.868 212 H LEU 31 HN LEU 31 -5.243 3.717 8.535 213 HA LEU 31 HA LEU 31 -3.984 1.452 7.316 214 HB2 LEU 31 HB2 LEU 31 -3.475 2.737 10.008 215 HB3 LEU 31 HB1 LEU 31 -2.563 1.375 9.411 216 HG LEU 31 HG LEU 31 -1.228 3.279 9.103 217 HD11 LEU 31 HD11 LEU 31 -0.888 3.402 6.698 218 HD12 LEU 31 HD12 LEU 31 -2.426 2.578 6.450 219 HD13 LEU 31 HD13 LEU 31 -1.107 1.749 7.273 220 HD21 LEU 31 HD21 LEU 31 -3.544 4.606 7.706 221 HD22 LEU 31 HD22 LEU 31 -1.920 5.278 7.860 222 HD23 LEU 31 HD23 LEU 31 -2.908 5.016 9.297 223 H ASP 32 HN ASP 32 -6.317 1.912 9.752 224 HA ASP 32 HA ASP 32 -6.227 -0.905 10.536 225 HB2 ASP 32 HB2 ASP 32 -7.862 1.383 11.646 226 HB3 ASP 32 HB1 ASP 32 -7.953 -0.276 12.221 227 H LEU 33 HN LEU 33 -7.421 0.501 7.972 228 HA LEU 33 HA LEU 33 -10.000 -0.880 8.096 229 HB2 LEU 33 HB2 LEU 33 -8.940 1.111 6.079 230 HB3 LEU 33 HB1 LEU 33 -10.489 0.301 5.964 231 HG LEU 33 HG LEU 33 -9.674 2.293 8.078 232 HD11 LEU 33 HD11 LEU 33 -11.631 2.477 5.795 233 HD12 LEU 33 HD12 LEU 33 -10.074 3.295 5.900 234 HD13 LEU 33 HD13 LEU 33 -11.367 3.711 7.027 235 HD21 LEU 33 HD21 LEU 33 -11.179 0.601 8.994 236 HD22 LEU 33 HD22 LEU 33 -12.300 0.856 7.655 237 HD23 LEU 33 HD23 LEU 33 -12.008 2.148 8.820 238 H ARG 34 HN ARG 34 -10.300 -2.639 6.848 239 HA ARG 34 HA ARG 34 -7.905 -3.898 5.834 240 HB2 ARG 34 HB2 ARG 34 -10.790 -4.756 5.701 241 HB3 ARG 34 HB1 ARG 34 -9.385 -5.762 5.382 242 HG2 ARG 34 HG2 ARG 34 -8.771 -5.795 7.642 243 HG3 ARG 34 HG1 ARG 34 -9.855 -4.453 8.035 244 HD2 ARG 34 HD2 ARG 34 -10.675 -7.213 7.143 245 HD3 ARG 34 HD1 ARG 34 -10.767 -6.534 8.779 246 HE ARG 34 HE ARG 34 -12.130 -4.735 7.360 247 HH11 ARG 34 HH11 ARG 34 -12.615 -8.260 7.649 248 HH12 ARG 34 HH12 ARG 34 -14.250 -8.187 7.153 249 HH21 ARG 34 HH21 ARG 34 -14.324 -4.680 6.731 250 HH22 ARG 34 HH22 ARG 34 -15.267 -6.093 6.602 251 H PHE 35 HN PHE 35 -7.915 -4.822 3.639 252 HA PHE 35 HA PHE 35 -8.734 -2.896 1.697 253 HB2 PHE 35 HB2 PHE 35 -7.574 -5.673 1.367 254 HB3 PHE 35 HB1 PHE 35 -7.789 -4.501 0.065 255 HD1 PHE 35 HD2 PHE 35 -6.711 -2.141 0.558 256 HD2 PHE 35 HD1 PHE 35 -5.524 -5.795 2.370 257 HE1 PHE 35 HE2 PHE 35 -4.508 -1.172 1.062 258 HE2 PHE 35 HE1 PHE 35 -3.327 -4.830 2.883 259 HZ PHE 35 HZ PHE 35 -2.816 -2.519 2.227 260 H GLU 36 HN GLU 36 -9.834 -5.874 2.996 261 HA GLU 36 HA GLU 36 -11.981 -6.400 1.279 262 HB2 GLU 36 HB2 GLU 36 -11.707 -6.978 4.243 263 HB3 GLU 36 HB1 GLU 36 -12.928 -7.686 3.193 264 HG2 GLU 36 HG2 GLU 36 -11.165 -8.733 1.854 265 HG3 GLU 36 HG1 GLU 36 -9.953 -8.025 2.913 266 H ASP 37 HN ASP 37 -11.520 -3.939 3.653 267 HA ASP 37 HA ASP 37 -14.322 -3.237 3.918 268 HB2 ASP 37 HB2 ASP 37 -11.801 -1.869 4.872 269 HB3 ASP 37 HB1 ASP 37 -13.384 -1.115 4.994 270 H ILE 38 HN ILE 38 -11.470 -2.064 2.236 271 HA ILE 38 HA ILE 38 -13.051 0.091 1.103 272 HB ILE 38 HB ILE 38 -10.939 1.009 0.217 273 HG12 ILE 38 HG12 ILE 38 -9.647 -1.303 1.693 274 HG13 ILE 38 HG11 ILE 38 -9.731 -1.136 -0.056 275 HG21 ILE 38 HG21 ILE 38 -9.994 1.649 2.393 276 HG22 ILE 38 HG22 ILE 38 -10.929 0.359 3.161 277 HG23 ILE 38 HG23 ILE 38 -11.759 1.708 2.390 278 HD11 ILE 38 HD11 ILE 38 -8.260 0.702 1.826 279 HD12 ILE 38 HD12 ILE 38 -8.341 0.873 0.073 280 HD13 ILE 38 HD13 ILE 38 -7.537 -0.527 0.787 281 H GLY 39 HN GLY 39 -12.936 -2.878 0.220 282 HA2 GLY 39 HA2 GLY 39 -13.510 -3.928 -1.744 283 HA3 GLY 39 HA1 GLY 39 -13.711 -2.335 -2.455 284 H TYR 40 HN TYR 40 -10.850 -4.046 -1.161 285 HA TYR 40 HA TYR 40 -9.616 -3.771 -3.792 286 HB2 TYR 40 HB2 TYR 40 -8.755 -2.839 -1.182 287 HB3 TYR 40 HB1 TYR 40 -7.577 -3.871 -1.980 288 HD1 TYR 40 HD1 TYR 40 -9.385 -0.719 -2.097 289 HD2 TYR 40 HD2 TYR 40 -6.468 -3.120 -4.032 290 HE1 TYR 40 HE1 TYR 40 -8.708 1.212 -3.434 291 HE2 TYR 40 HE2 TYR 40 -5.771 -1.181 -5.381 292 HH TYR 40 HH TYR 40 -6.890 0.924 -6.161 293 H ASP 41 HN ASP 41 -8.957 -5.604 -4.610 294 HA ASP 41 HA ASP 41 -8.859 -8.044 -3.008 295 HB2 ASP 41 HB2 ASP 41 -8.354 -7.564 -5.954 296 HB3 ASP 41 HB1 ASP 41 -8.211 -9.135 -5.187 297 H SER 42 HN SER 42 -6.935 -9.489 -3.247 298 HA SER 42 HA SER 42 -4.572 -8.160 -2.413 299 HB2 SER 42 HB2 SER 42 -4.698 -10.938 -3.560 300 HB3 SER 42 HB1 SER 42 -3.647 -10.339 -2.275 301 H LEU 43 HN LEU 43 -5.817 -9.283 -5.385 302 HA LEU 43 HA LEU 43 -3.617 -9.294 -7.091 303 HB2 LEU 43 HB2 LEU 43 -6.483 -8.551 -7.652 304 HB3 LEU 43 HB1 LEU 43 -5.285 -8.945 -8.872 305 HG LEU 43 HG LEU 43 -6.173 -10.862 -6.718 306 HD11 LEU 43 HD11 LEU 43 -7.452 -11.974 -8.463 307 HD12 LEU 43 HD12 LEU 43 -7.053 -10.677 -9.598 308 HD13 LEU 43 HD13 LEU 43 -8.040 -10.342 -8.170 309 HD21 LEU 43 HD21 LEU 43 -4.579 -11.242 -9.250 310 HD22 LEU 43 HD22 LEU 43 -5.078 -12.520 -8.139 311 HD23 LEU 43 HD23 LEU 43 -3.946 -11.281 -7.604 312 H ALA 44 HN ALA 44 -5.905 -6.692 -6.349 313 HA ALA 44 HA ALA 44 -4.638 -4.736 -7.932 314 HB1 ALA 44 HB1 ALA 44 -6.495 -4.376 -5.583 315 HB2 ALA 44 HB2 ALA 44 -6.989 -4.611 -7.260 316 HB3 ALA 44 HB3 ALA 44 -6.102 -3.158 -6.797 317 H LEU 45 HN LEU 45 -4.108 -5.883 -4.711 318 HA LEU 45 HA LEU 45 -2.677 -3.660 -3.691 319 HB2 LEU 45 HB2 LEU 45 -2.414 -6.555 -2.934 320 HB3 LEU 45 HB1 LEU 45 -1.836 -5.192 -2.001 321 HG LEU 45 HG LEU 45 -4.706 -5.854 -2.590 322 HD11 LEU 45 HD11 LEU 45 -3.116 -5.909 -0.045 323 HD12 LEU 45 HD12 LEU 45 -3.659 -7.319 -0.951 324 HD13 LEU 45 HD13 LEU 45 -4.841 -6.246 -0.193 325 HD21 LEU 45 HD21 LEU 45 -5.219 -3.978 -1.108 326 HD22 LEU 45 HD22 LEU 45 -4.350 -3.454 -2.552 327 HD23 LEU 45 HD23 LEU 45 -3.501 -3.593 -1.014 328 H MET 46 HN MET 46 -1.769 -6.387 -5.633 329 HA MET 46 HA MET 46 1.041 -6.035 -5.331 330 HB2 MET 46 HB2 MET 46 -0.490 -7.395 -7.563 331 HB3 MET 46 HB1 MET 46 1.252 -7.500 -7.323 332 HG2 MET 46 HG2 MET 46 0.910 -8.614 -5.180 333 HG3 MET 46 HG1 MET 46 -0.835 -8.435 -5.380 334 HE1 MET 46 HE1 MET 46 -1.430 -10.801 -8.505 335 HE2 MET 46 HE2 MET 46 -1.055 -9.079 -8.561 336 HE3 MET 46 HE3 MET 46 -2.195 -9.695 -7.363 337 H GLU 47 HN GLU 47 -1.389 -4.683 -7.385 338 HA GLU 47 HA GLU 47 0.330 -3.334 -9.214 339 HB2 GLU 47 HB2 GLU 47 -2.126 -3.826 -9.576 340 HB3 GLU 47 HB1 GLU 47 -2.487 -2.639 -8.351 341 HG2 GLU 47 HG2 GLU 47 -2.832 -1.633 -10.495 342 HG3 GLU 47 HG1 GLU 47 -1.440 -0.884 -9.729 343 H THR 48 HN THR 48 -1.385 -2.408 -6.227 344 HA THR 48 HA THR 48 -0.479 0.198 -5.977 345 HB THR 48 HB THR 48 -1.072 -1.798 -3.776 346 HG1 THR 48 HG1 THR 48 -2.698 -0.018 -5.282 347 HG21 THR 48 HG21 THR 48 -1.174 1.231 -3.794 348 HG22 THR 48 HG22 THR 48 0.038 0.247 -2.967 349 HG23 THR 48 HG23 THR 48 -1.646 0.186 -2.450 350 H ALA 49 HN ALA 49 1.030 -2.832 -4.856 351 HA ALA 49 HA ALA 49 3.243 -1.527 -3.687 352 HB1 ALA 49 HB1 ALA 49 3.046 -4.369 -4.708 353 HB2 ALA 49 HB2 ALA 49 2.660 -3.810 -3.070 354 HB3 ALA 49 HB3 ALA 49 4.312 -3.731 -3.658 355 H ALA 50 HN ALA 50 2.666 -2.815 -6.935 356 HA ALA 50 HA ALA 50 5.232 -2.606 -7.999 357 HB1 ALA 50 HB1 ALA 50 4.184 -2.619 -10.190 358 HB2 ALA 50 HB2 ALA 50 2.628 -2.207 -9.472 359 HB3 ALA 50 HB3 ALA 50 3.378 -3.764 -9.120 360 H ARG 51 HN ARG 51 2.704 -0.165 -7.828 361 HA ARG 51 HA ARG 51 4.122 1.787 -9.339 362 HB2 ARG 51 HB2 ARG 51 2.469 3.445 -8.456 363 HB3 ARG 51 HB1 ARG 51 1.719 2.023 -9.160 364 HG2 ARG 51 HG2 ARG 51 1.399 1.109 -6.894 365 HG3 ARG 51 HG1 ARG 51 2.063 2.601 -6.232 366 HD2 ARG 51 HD2 ARG 51 -0.334 2.492 -8.043 367 HD3 ARG 51 HD1 ARG 51 -0.441 2.449 -6.285 368 HE ARG 51 HE ARG 51 0.575 4.630 -6.263 369 HH11 ARG 51 HH11 ARG 51 -0.933 3.556 -9.326 370 HH12 ARG 51 HH12 ARG 51 -1.216 5.124 -9.896 371 HH21 ARG 51 HH21 ARG 51 0.273 6.840 -7.163 372 HH22 ARG 51 HH22 ARG 51 -0.470 7.033 -8.669 373 H LEU 52 HN LEU 52 4.255 0.815 -6.068 374 HA LEU 52 HA LEU 52 5.657 3.178 -5.214 375 HB2 LEU 52 HB2 LEU 52 5.114 0.569 -3.804 376 HB3 LEU 52 HB1 LEU 52 5.870 1.969 -3.064 377 HG LEU 52 HG LEU 52 3.055 1.878 -4.149 378 HD11 LEU 52 HD11 LEU 52 2.370 2.004 -1.812 379 HD12 LEU 52 HD12 LEU 52 4.056 1.876 -1.312 380 HD13 LEU 52 HD13 LEU 52 3.280 0.532 -2.149 381 HD21 LEU 52 HD21 LEU 52 4.510 4.036 -2.620 382 HD22 LEU 52 HD22 LEU 52 2.803 4.062 -3.070 383 HD23 LEU 52 HD23 LEU 52 4.047 4.097 -4.321 384 H GLU 53 HN GLU 53 6.359 -0.190 -5.979 385 HA GLU 53 HA GLU 53 9.048 -0.385 -5.378 386 HB2 GLU 53 HB2 GLU 53 7.578 -1.531 -7.760 387 HB3 GLU 53 HB1 GLU 53 9.191 -2.004 -7.273 388 HG2 GLU 53 HG2 GLU 53 8.278 -2.852 -5.156 389 HG3 GLU 53 HG1 GLU 53 6.656 -2.403 -5.696 390 H SER 54 HN SER 54 7.652 0.511 -8.507 391 HA SER 54 HA SER 54 10.075 1.086 -9.772 392 HB2 SER 54 HB2 SER 54 8.515 2.168 -11.474 393 HB3 SER 54 HB1 SER 54 8.228 0.465 -11.102 394 HG SER 54 HG SER 54 6.337 0.969 -10.330 395 H ARG 55 HN ARG 55 8.007 3.062 -7.817 396 HA ARG 55 HA ARG 55 9.192 5.518 -8.777 397 HB2 ARG 55 HB2 ARG 55 6.837 5.513 -8.255 398 HB3 ARG 55 HB1 ARG 55 7.159 4.999 -6.611 399 HG2 ARG 55 HG2 ARG 55 8.198 7.141 -6.123 400 HG3 ARG 55 HG1 ARG 55 7.972 7.649 -7.802 401 HD2 ARG 55 HD2 ARG 55 5.576 7.525 -7.556 402 HD3 ARG 55 HD1 ARG 55 5.746 6.863 -5.931 403 HE ARG 55 HE ARG 55 6.974 9.174 -5.602 404 HH11 ARG 55 HH11 ARG 55 3.979 8.597 -7.430 405 HH12 ARG 55 HH12 ARG 55 3.259 10.057 -6.958 406 HH21 ARG 55 HH21 ARG 55 6.046 11.124 -5.011 407 HH22 ARG 55 HH22 ARG 55 4.478 11.590 -5.545 408 H TYR 56 HN TYR 56 9.571 3.396 -5.998 409 HA TYR 56 HA TYR 56 11.347 5.419 -4.889 410 HB2 TYR 56 HB2 TYR 56 9.828 3.263 -3.430 411 HB3 TYR 56 HB1 TYR 56 11.000 4.340 -2.663 412 HD1 TYR 56 HD1 TYR 56 10.582 6.815 -2.696 413 HD2 TYR 56 HD2 TYR 56 7.599 4.022 -3.875 414 HE1 TYR 56 HE1 TYR 56 8.874 8.559 -2.482 415 HE2 TYR 56 HE2 TYR 56 5.874 5.765 -3.655 416 HH TYR 56 HH TYR 56 5.507 7.967 -2.480 417 H GLY 57 HN GLY 57 11.595 2.548 -6.503 418 HA2 GLY 57 HA2 GLY 57 13.583 1.568 -7.181 419 HA3 GLY 57 HA1 GLY 57 14.439 2.585 -6.034 420 H VAL 58 HN VAL 58 11.983 0.033 -5.836 421 HA VAL 58 HA VAL 58 13.718 -1.605 -4.263 422 HB VAL 58 HB VAL 58 12.711 0.120 -2.687 423 HG11 VAL 58 HG11 VAL 58 10.133 -1.291 -3.245 424 HG12 VAL 58 HG12 VAL 58 10.540 0.387 -3.589 425 HG13 VAL 58 HG13 VAL 58 10.407 -0.161 -1.918 426 HG21 VAL 58 HG21 VAL 58 13.603 -1.995 -1.842 427 HG22 VAL 58 HG22 VAL 58 12.003 -2.738 -2.020 428 HG23 VAL 58 HG23 VAL 58 12.244 -1.418 -0.887 429 H SER 59 HN SER 59 12.249 -3.708 -3.630 430 HA SER 59 HA SER 59 10.111 -3.941 -5.565 431 HB2 SER 59 HB2 SER 59 12.200 -4.862 -6.584 432 HB3 SER 59 HB1 SER 59 12.307 -6.002 -5.246 433 HG SER 59 HG SER 59 9.949 -5.793 -6.738 434 H ILE 60 HN ILE 60 8.522 -5.331 -4.984 435 HA ILE 60 HA ILE 60 8.680 -6.594 -2.330 436 HB ILE 60 HB ILE 60 6.269 -5.166 -3.519 437 HG12 ILE 60 HG12 ILE 60 7.942 -4.405 -1.108 438 HG13 ILE 60 HG11 ILE 60 7.983 -3.591 -2.667 439 HG21 ILE 60 HG21 ILE 60 5.169 -5.642 -1.367 440 HG22 ILE 60 HG22 ILE 60 6.585 -6.557 -0.853 441 HG23 ILE 60 HG23 ILE 60 5.621 -7.120 -2.217 442 HD11 ILE 60 HD11 ILE 60 5.648 -2.941 -2.381 443 HD12 ILE 60 HD12 ILE 60 6.660 -2.355 -1.060 444 HD13 ILE 60 HD13 ILE 60 5.618 -3.759 -0.821 445 HA PRO 61 HA PRO 61 7.676 -10.081 -4.988 446 HB2 PRO 61 HB2 PRO 61 7.025 -11.355 -2.385 447 HB3 PRO 61 HB1 PRO 61 8.132 -11.897 -3.651 448 HG2 PRO 61 HG2 PRO 61 9.068 -10.888 -1.370 449 HG3 PRO 61 HG1 PRO 61 9.856 -10.528 -2.917 450 HD2 PRO 61 HD2 PRO 61 8.017 -8.826 -1.284 451 HD3 PRO 61 HD1 PRO 61 9.482 -8.365 -2.178 452 H ASP 62 HN ASP 62 5.823 -10.849 -5.829 453 HA ASP 62 HA ASP 62 3.403 -9.524 -5.286 454 HB2 ASP 62 HB2 ASP 62 2.345 -10.931 -6.955 455 HB3 ASP 62 HB1 ASP 62 3.944 -10.476 -7.523 456 H ASP 63 HN ASP 63 4.596 -12.617 -4.194 457 HA ASP 63 HA ASP 63 2.154 -13.598 -3.101 458 HB2 ASP 63 HB2 ASP 63 5.011 -14.268 -2.370 459 HB3 ASP 63 HB1 ASP 63 3.613 -15.084 -1.687 460 H VAL 64 HN VAL 64 4.323 -11.253 -2.076 461 HA VAL 64 HA VAL 64 3.575 -11.282 0.730 462 HB VAL 64 HB VAL 64 5.208 -9.377 -0.921 463 HG11 VAL 64 HG11 VAL 64 4.928 -9.625 2.095 464 HG12 VAL 64 HG12 VAL 64 4.317 -8.301 1.102 465 HG13 VAL 64 HG13 VAL 64 6.054 -8.542 1.276 466 HG21 VAL 64 HG21 VAL 64 7.158 -10.433 0.180 467 HG22 VAL 64 HG22 VAL 64 6.231 -11.566 -0.803 468 HG23 VAL 64 HG23 VAL 64 6.064 -11.582 0.952 469 H ALA 65 HN ALA 65 3.348 -9.099 -2.049 470 HA ALA 65 HA ALA 65 1.727 -7.167 -0.829 471 HB1 ALA 65 HB1 ALA 65 3.003 -6.678 -2.824 472 HB2 ALA 65 HB2 ALA 65 1.291 -6.367 -3.133 473 HB3 ALA 65 HB3 ALA 65 2.056 -7.834 -3.747 474 H GLY 66 HN GLY 66 0.886 -10.083 -2.647 475 HA2 GLY 66 HA2 GLY 66 -1.954 -9.513 -2.397 476 HA3 GLY 66 HA1 GLY 66 -1.226 -10.916 -3.170 477 H ARG 67 HN ARG 67 -0.422 -9.800 -0.018 478 HA ARG 67 HA ARG 67 -1.824 -12.049 1.278 479 HB2 ARG 67 HB2 ARG 67 0.426 -12.767 0.838 480 HB3 ARG 67 HB1 ARG 67 1.072 -11.287 1.509 481 HG2 ARG 67 HG2 ARG 67 0.270 -11.992 3.730 482 HG3 ARG 67 HG1 ARG 67 -0.273 -13.519 3.011 483 HD2 ARG 67 HD2 ARG 67 1.963 -13.986 2.245 484 HD3 ARG 67 HD1 ARG 67 2.523 -12.443 2.864 485 HE ARG 67 HE ARG 67 1.625 -13.544 5.070 486 HH11 ARG 67 HH11 ARG 67 3.289 -15.183 2.452 487 HH12 ARG 67 HH12 ARG 67 4.394 -16.051 3.397 488 HH21 ARG 67 HH21 ARG 67 3.128 -14.723 6.490 489 HH22 ARG 67 HH22 ARG 67 4.277 -15.787 5.796 490 H VAL 68 HN VAL 68 -0.718 -8.773 1.316 491 HA VAL 68 HA VAL 68 -0.887 -8.414 4.107 492 HB VAL 68 HB VAL 68 -0.807 -5.967 3.648 493 HG11 VAL 68 HG11 VAL 68 1.223 -7.641 2.185 494 HG12 VAL 68 HG12 VAL 68 1.231 -7.240 3.902 495 HG13 VAL 68 HG13 VAL 68 1.455 -5.971 2.697 496 HG21 VAL 68 HG21 VAL 68 -0.707 -6.814 0.749 497 HG22 VAL 68 HG22 VAL 68 -0.406 -5.187 1.351 498 HG23 VAL 68 HG23 VAL 68 -2.010 -5.905 1.514 499 H ASP 69 HN ASP 69 -2.422 -7.833 5.378 500 HA ASP 69 HA ASP 69 -5.126 -8.132 4.353 501 HB2 ASP 69 HB2 ASP 69 -4.531 -9.605 6.107 502 HB3 ASP 69 HB1 ASP 69 -3.854 -8.304 7.067 503 H THR 70 HN THR 70 -3.141 -5.907 6.173 504 HA THR 70 HA THR 70 -5.208 -3.858 5.792 505 HB THR 70 HB THR 70 -4.369 -2.848 7.961 506 HG1 THR 70 HG1 THR 70 -2.892 -5.286 7.956 507 HG21 THR 70 HG21 THR 70 -5.541 -5.648 8.148 508 HG22 THR 70 HG22 THR 70 -6.471 -4.181 7.914 509 HG23 THR 70 HG23 THR 70 -5.605 -4.439 9.426 510 HA PRO 71 HA PRO 71 -2.188 -1.390 3.647 511 HB2 PRO 71 HB2 PRO 71 -3.079 0.966 5.213 512 HB3 PRO 71 HB1 PRO 71 -3.092 0.709 3.463 513 HG2 PRO 71 HG2 PRO 71 -5.357 0.638 4.835 514 HG3 PRO 71 HG1 PRO 71 -5.057 -0.520 3.525 515 HD2 PRO 71 HD2 PRO 71 -4.822 -0.910 6.488 516 HD3 PRO 71 HD1 PRO 71 -5.563 -1.974 5.270 517 H ARG 72 HN ARG 72 -2.317 -1.281 7.065 518 HA ARG 72 HA ARG 72 -0.007 0.141 7.715 519 HB2 ARG 72 HB2 ARG 72 -1.595 -0.481 9.394 520 HB3 ARG 72 HB1 ARG 72 -1.390 -2.184 9.041 521 HG2 ARG 72 HG2 ARG 72 0.784 -2.196 10.034 522 HG3 ARG 72 HG1 ARG 72 0.769 -0.437 10.198 523 HD2 ARG 72 HD2 ARG 72 -1.219 -2.276 11.517 524 HD3 ARG 72 HD1 ARG 72 0.234 -1.654 12.307 525 HE ARG 72 HE ARG 72 -0.664 0.592 11.844 526 HH11 ARG 72 HH11 ARG 72 -3.048 -2.078 11.926 527 HH12 ARG 72 HH12 ARG 72 -4.266 -1.059 12.588 528 HH21 ARG 72 HH21 ARG 72 -2.410 1.890 12.684 529 HH22 ARG 72 HH22 ARG 72 -3.935 1.164 12.956 530 H GLU 73 HN GLU 73 -0.500 -3.189 6.758 531 HA GLU 73 HA GLU 73 2.187 -4.076 7.107 532 HB2 GLU 73 HB2 GLU 73 -0.083 -5.160 5.451 533 HB3 GLU 73 HB1 GLU 73 1.415 -6.008 5.803 534 HG2 GLU 73 HG2 GLU 73 0.885 -6.177 8.091 535 HG3 GLU 73 HG1 GLU 73 -0.463 -5.049 7.928 536 H LEU 74 HN LEU 74 0.239 -2.948 4.412 537 HA LEU 74 HA LEU 74 2.072 -3.320 2.281 538 HB2 LEU 74 HB2 LEU 74 -0.484 -2.606 2.377 539 HB3 LEU 74 HB1 LEU 74 0.166 -0.989 2.404 540 HG LEU 74 HG LEU 74 0.509 -3.007 0.168 541 HD11 LEU 74 HD11 LEU 74 -1.162 -0.525 0.343 542 HD12 LEU 74 HD12 LEU 74 -1.738 -2.192 0.331 543 HD13 LEU 74 HD13 LEU 74 -0.937 -1.525 -1.092 544 HD21 LEU 74 HD21 LEU 74 1.355 -0.104 0.287 545 HD22 LEU 74 HD22 LEU 74 1.468 -1.153 -1.126 546 HD23 LEU 74 HD23 LEU 74 2.447 -1.488 0.302 547 H LEU 75 HN LEU 75 1.535 -0.603 4.497 548 HA LEU 75 HA LEU 75 3.516 1.147 3.510 549 HB2 LEU 75 HB2 LEU 75 1.710 1.814 5.056 550 HB3 LEU 75 HB1 LEU 75 2.436 0.848 6.321 551 HG LEU 75 HG LEU 75 4.410 2.343 6.297 552 HD11 LEU 75 HD11 LEU 75 2.784 3.969 4.351 553 HD12 LEU 75 HD12 LEU 75 4.279 3.107 3.994 554 HD13 LEU 75 HD13 LEU 75 4.295 4.471 5.110 555 HD21 LEU 75 HD21 LEU 75 1.762 3.731 6.688 556 HD22 LEU 75 HD22 LEU 75 3.308 4.255 7.357 557 HD23 LEU 75 HD23 LEU 75 2.594 2.727 7.876 558 H ASP 76 HN ASP 76 3.557 -1.305 6.051 559 HA ASP 76 HA ASP 76 6.184 -1.044 6.947 560 HB2 ASP 76 HB2 ASP 76 4.716 -2.383 8.231 561 HB3 ASP 76 HB1 ASP 76 4.323 -3.412 6.859 562 H LEU 77 HN LEU 77 4.893 -2.962 4.297 563 HA LEU 77 HA LEU 77 7.142 -4.402 3.526 564 HB2 LEU 77 HB2 LEU 77 5.157 -3.128 1.641 565 HB3 LEU 77 HB1 LEU 77 6.200 -4.478 1.276 566 HG LEU 77 HG LEU 77 3.848 -4.453 3.141 567 HD11 LEU 77 HD11 LEU 77 3.258 -4.499 0.801 568 HD12 LEU 77 HD12 LEU 77 2.922 -6.061 1.546 569 HD13 LEU 77 HD13 LEU 77 4.345 -5.859 0.527 570 HD21 LEU 77 HD21 LEU 77 5.753 -6.710 2.518 571 HD22 LEU 77 HD22 LEU 77 4.270 -6.844 3.463 572 HD23 LEU 77 HD23 LEU 77 5.613 -5.868 4.063 573 H ILE 78 HN ILE 78 6.172 -1.161 2.690 574 HA ILE 78 HA ILE 78 8.411 -0.604 1.011 575 HB ILE 78 HB ILE 78 6.435 1.235 2.385 576 HG12 ILE 78 HG12 ILE 78 5.435 -0.269 0.719 577 HG13 ILE 78 HG11 ILE 78 5.383 1.407 0.188 578 HG21 ILE 78 HG21 ILE 78 8.429 2.501 1.939 579 HG22 ILE 78 HG22 ILE 78 7.206 2.944 0.738 580 HG23 ILE 78 HG23 ILE 78 8.518 1.858 0.302 581 HD11 ILE 78 HD11 ILE 78 7.302 1.004 -1.271 582 HD12 ILE 78 HD12 ILE 78 5.962 -0.078 -1.640 583 HD13 ILE 78 HD13 ILE 78 7.354 -0.676 -0.736 584 H ASN 79 HN ASN 79 7.484 0.395 4.284 585 HA ASN 79 HA ASN 79 9.696 1.939 4.927 586 HB2 ASN 79 HB2 ASN 79 7.958 0.283 6.757 587 HB3 ASN 79 HB1 ASN 79 9.185 1.392 7.340 588 HD21 ASN 79 HD21 ASN 79 8.628 3.398 5.261 589 HD22 ASN 79 HD22 ASN 79 7.112 4.104 5.721 590 H GLY 80 HN GLY 80 9.282 -1.535 5.597 591 HA2 GLY 80 HA2 GLY 80 11.798 -1.845 6.838 592 HA3 GLY 80 HA1 GLY 80 10.795 -3.132 6.188 593 H ALA 81 HN ALA 81 10.708 -2.384 3.524 594 HA ALA 81 HA ALA 81 13.126 -3.515 2.618 595 HB1 ALA 81 HB1 ALA 81 10.998 -3.820 1.470 596 HB2 ALA 81 HB2 ALA 81 12.240 -3.181 0.393 597 HB3 ALA 81 HB3 ALA 81 10.992 -2.110 1.038 598 H LEU 82 HN LEU 82 11.921 -0.197 2.663 599 HA LEU 82 HA LEU 82 14.203 0.771 1.246 600 HB2 LEU 82 HB2 LEU 82 12.029 2.242 2.708 601 HB3 LEU 82 HB1 LEU 82 13.357 3.054 1.906 602 HG LEU 82 HG LEU 82 11.265 1.331 0.571 603 HD11 LEU 82 HD11 LEU 82 10.549 3.426 -0.447 604 HD12 LEU 82 HD12 LEU 82 11.757 4.301 0.494 605 HD13 LEU 82 HD13 LEU 82 10.421 3.487 1.311 606 HD21 LEU 82 HD21 LEU 82 13.436 1.152 -0.550 607 HD22 LEU 82 HD22 LEU 82 13.546 2.910 -0.627 608 HD23 LEU 82 HD23 LEU 82 12.285 2.064 -1.527 609 H ALA 83 HN ALA 83 13.677 -0.063 4.480 610 HA ALA 83 HA ALA 83 15.669 1.667 5.590 611 HB1 ALA 83 HB1 ALA 83 14.599 -0.970 6.622 612 HB2 ALA 83 HB2 ALA 83 13.950 0.623 7.010 613 HB3 ALA 83 HB3 ALA 83 15.570 0.174 7.547 614 H GLU 84 HN GLU 84 15.650 -1.128 3.707 615 HA GLU 84 HA GLU 84 18.442 -1.809 4.268 616 HB2 GLU 84 HB2 GLU 84 16.452 -3.153 2.440 617 HB3 GLU 84 HB1 GLU 84 18.008 -3.788 2.959 618 HG2 GLU 84 HG2 GLU 84 17.180 -3.888 5.258 619 HG3 GLU 84 HG1 GLU 84 15.611 -3.306 4.702 620 H ALA 85 HN ALA 85 16.923 0.440 2.554 621 HA ALA 85 HA ALA 85 18.446 0.030 0.093 622 HB1 ALA 85 HB1 ALA 85 16.789 1.416 -1.029 623 HB2 ALA 85 HB2 ALA 85 15.920 1.627 0.492 624 HB3 ALA 85 HB3 ALA 85 16.028 0.028 -0.250 625 H ALA 86 HN ALA 86 19.591 1.676 -0.739 626 HA ALA 86 HA ALA 86 19.631 4.288 0.397 627 HB1 ALA 86 HB1 ALA 86 22.059 2.484 0.610 628 HB2 ALA 86 HB2 ALA 86 21.126 3.120 1.965 629 HB3 ALA 86 HB3 ALA 86 22.047 4.217 0.934 630 H282 PNS 87 H28A PNS 87 -9.143 -12.750 -1.749 631 H281 PNS 87 H28B PNS 87 -7.976 -14.034 -1.454 632 H303 PNS 87 H30A PNS 87 -9.420 -15.474 -0.232 633 H302 PNS 87 H30B PNS 87 -10.748 -14.363 -0.569 634 H301 PNS 87 H30C PNS 87 -10.427 -14.878 1.089 635 H313 PNS 87 H31A PNS 87 -7.221 -13.042 1.403 636 H312 PNS 87 H31B PNS 87 -7.420 -14.733 0.938 637 H311 PNS 87 H31C PNS 87 -8.366 -14.066 2.271 638 H32 PNS 87 H32A PNS 87 -9.177 -11.332 0.856 639 H33 PNS 87 H33A PNS 87 -10.454 -11.569 2.684 640 H36 PNS 87 H36A PNS 87 -11.981 -11.602 1.916 641 H372 PNS 87 H37A PNS 87 -13.546 -10.242 0.276 642 H371 PNS 87 H37B PNS 87 -13.684 -11.862 -0.400 643 H382 PNS 87 H38A PNS 87 -14.390 -12.714 1.778 644 H381 PNS 87 H38B PNS 87 -14.336 -11.076 2.431 645 H41 PNS 87 H41A PNS 87 -15.379 -10.717 -0.666 646 H422 PNS 87 H42A PNS 87 -18.119 -11.508 -0.374 647 H421 PNS 87 H42B PNS 87 -17.838 -9.760 -0.338 648 H431 PNS 87 H43A PNS 87 -16.789 -9.877 -2.503 649 H432 PNS 87 H43B PNS 87 -18.385 -10.636 -2.604 650 H44 PNS 87 H1 PNS 87 -15.368 -12.261 -2.397 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 20.043 7.726 1.088 2 H2 MET 1 HT2 MET 1 20.864 8.295 2.473 3 H3 MET 1 HT3 MET 1 19.462 9.086 1.914 4 HA MET 1 HA MET 1 19.552 6.313 2.863 5 HB2 MET 1 HB2 MET 1 19.918 7.898 4.715 6 HB3 MET 1 HB1 MET 1 18.517 8.830 4.215 7 HG2 MET 1 HG2 MET 1 17.045 7.005 4.793 8 HG3 MET 1 HG1 MET 1 18.419 5.976 5.171 9 HE1 MET 1 HE1 MET 1 17.302 9.722 7.656 10 HE2 MET 1 HE2 MET 1 16.404 9.202 6.230 11 HE3 MET 1 HE3 MET 1 18.053 9.807 6.063 12 H ALA 2 HN ALA 2 17.632 5.220 2.685 13 HA ALA 2 HA ALA 2 16.001 5.834 0.525 14 HB1 ALA 2 HB1 ALA 2 16.352 3.575 1.385 15 HB2 ALA 2 HB2 ALA 2 14.638 3.968 1.229 16 HB3 ALA 2 HB3 ALA 2 15.405 3.982 2.816 17 H THR 3 HN THR 3 14.144 6.775 0.262 18 HA THR 3 HA THR 3 13.218 8.638 2.235 19 HB THR 3 HB THR 3 12.137 7.927 -0.430 20 HG1 THR 3 HG1 THR 3 14.241 9.678 0.360 21 HG21 THR 3 HG21 THR 3 11.365 10.297 -0.460 22 HG22 THR 3 HG22 THR 3 12.016 10.501 1.165 23 HG23 THR 3 HG23 THR 3 10.675 9.390 0.888 24 H LEU 4 HN LEU 4 12.001 7.732 3.838 25 HA LEU 4 HA LEU 4 10.180 5.535 3.379 26 HB2 LEU 4 HB2 LEU 4 10.339 7.385 5.768 27 HB3 LEU 4 HB1 LEU 4 9.539 5.833 5.671 28 HG LEU 4 HG LEU 4 12.526 6.246 5.501 29 HD11 LEU 4 HD11 LEU 4 10.831 5.168 7.743 30 HD12 LEU 4 HD12 LEU 4 11.688 6.709 7.726 31 HD13 LEU 4 HD13 LEU 4 12.592 5.194 7.697 32 HD21 LEU 4 HD21 LEU 4 10.892 3.710 5.631 33 HD22 LEU 4 HD22 LEU 4 12.651 3.799 5.684 34 HD23 LEU 4 HD23 LEU 4 11.785 4.297 4.229 35 H LEU 5 HN LEU 5 8.200 5.728 2.632 36 HA LEU 5 HA LEU 5 7.289 8.367 2.032 37 HB2 LEU 5 HB2 LEU 5 5.583 7.289 0.648 38 HB3 LEU 5 HB1 LEU 5 7.202 6.695 0.356 39 HG LEU 5 HG LEU 5 6.513 4.709 1.860 40 HD11 LEU 5 HD11 LEU 5 3.809 5.700 1.006 41 HD12 LEU 5 HD12 LEU 5 4.423 5.616 2.661 42 HD13 LEU 5 HD13 LEU 5 4.159 4.137 1.742 43 HD21 LEU 5 HD21 LEU 5 7.021 4.554 -0.500 44 HD22 LEU 5 HD22 LEU 5 5.383 5.072 -0.899 45 HD23 LEU 5 HD23 LEU 5 5.646 3.533 -0.083 46 H THR 6 HN THR 6 5.161 9.167 2.476 47 HA THR 6 HA THR 6 4.637 8.773 5.286 48 HB THR 6 HB THR 6 3.093 10.700 5.047 49 HG1 THR 6 HG1 THR 6 3.989 10.680 2.323 50 HG21 THR 6 HG21 THR 6 5.458 11.097 5.556 51 HG22 THR 6 HG22 THR 6 4.807 12.386 4.540 52 HG23 THR 6 HG23 THR 6 5.828 11.134 3.832 53 H THR 7 HN THR 7 2.120 9.097 5.822 54 HA THR 7 HA THR 7 0.856 6.791 4.739 55 HB THR 7 HB THR 7 -0.360 8.788 6.671 56 HG1 THR 7 HG1 THR 7 0.641 7.136 8.216 57 HG21 THR 7 HG21 THR 7 -1.472 6.770 7.527 58 HG22 THR 7 HG22 THR 7 -0.605 5.786 6.350 59 HG23 THR 7 HG23 THR 7 -1.792 6.970 5.805 60 H ASP 8 HN ASP 8 1.043 10.088 4.040 61 HA ASP 8 HA ASP 8 -1.463 10.305 2.636 62 HB2 ASP 8 HB2 ASP 8 1.030 12.027 2.454 63 HB3 ASP 8 HB1 ASP 8 -0.495 12.386 1.664 64 H ASP 9 HN ASP 9 1.891 9.607 1.940 65 HA ASP 9 HA ASP 9 1.626 9.325 -0.871 66 HB2 ASP 9 HB2 ASP 9 3.627 8.062 1.020 67 HB3 ASP 9 HB1 ASP 9 3.684 7.856 -0.723 68 H LEU 10 HN LEU 10 1.467 7.031 1.782 69 HA LEU 10 HA LEU 10 0.905 4.700 0.399 70 HB2 LEU 10 HB2 LEU 10 1.280 4.812 2.818 71 HB3 LEU 10 HB1 LEU 10 -0.243 5.651 3.026 72 HG LEU 10 HG LEU 10 -1.423 3.619 2.223 73 HD11 LEU 10 HD11 LEU 10 1.310 2.356 2.360 74 HD12 LEU 10 HD12 LEU 10 0.362 2.637 0.901 75 HD13 LEU 10 HD13 LEU 10 -0.215 1.502 2.121 76 HD21 LEU 10 HD21 LEU 10 -1.087 2.332 4.276 77 HD22 LEU 10 HD22 LEU 10 -1.166 4.064 4.597 78 HD23 LEU 10 HD23 LEU 10 0.392 3.238 4.599 79 H ARG 11 HN ARG 11 -1.313 7.213 1.513 80 HA ARG 11 HA ARG 11 -3.716 6.100 0.620 81 HB2 ARG 11 HB2 ARG 11 -3.576 7.978 2.189 82 HB3 ARG 11 HB1 ARG 11 -2.968 9.009 0.905 83 HG2 ARG 11 HG2 ARG 11 -5.126 8.634 -0.305 84 HG3 ARG 11 HG1 ARG 11 -5.713 7.793 1.135 85 HD2 ARG 11 HD2 ARG 11 -6.453 10.078 1.209 86 HD3 ARG 11 HD1 ARG 11 -5.229 9.831 2.456 87 HE ARG 11 HE ARG 11 -4.683 11.060 -0.154 88 HH11 ARG 11 HH11 ARG 11 -4.335 11.117 3.393 89 HH12 ARG 11 HH12 ARG 11 -3.145 12.348 3.372 90 HH21 ARG 11 HH21 ARG 11 -3.035 12.749 -0.125 91 HH22 ARG 11 HH22 ARG 11 -2.469 13.333 1.368 92 H ARG 12 HN ARG 12 -1.768 8.689 -0.948 93 HA ARG 12 HA ARG 12 -3.339 8.935 -3.244 94 HB2 ARG 12 HB2 ARG 12 -1.413 10.031 -4.342 95 HB3 ARG 12 HB1 ARG 12 -1.696 10.642 -2.720 96 HG2 ARG 12 HG2 ARG 12 0.157 9.399 -1.864 97 HG3 ARG 12 HG1 ARG 12 0.310 8.560 -3.411 98 HD2 ARG 12 HD2 ARG 12 0.689 11.536 -3.045 99 HD3 ARG 12 HD1 ARG 12 2.011 10.375 -3.011 100 HE ARG 12 HE ARG 12 0.661 9.894 -5.355 101 HH11 ARG 12 HH11 ARG 12 2.621 12.512 -3.979 102 HH12 ARG 12 HH12 ARG 12 2.931 13.257 -5.467 103 HH21 ARG 12 HH21 ARG 12 1.164 10.888 -7.447 104 HH22 ARG 12 HH22 ARG 12 2.060 12.327 -7.468 105 H ALA 13 HN ALA 13 -0.679 6.749 -2.667 106 HA ALA 13 HA ALA 13 -0.399 5.764 -5.284 107 HB1 ALA 13 HB1 ALA 13 0.155 4.426 -2.636 108 HB2 ALA 13 HB2 ALA 13 1.270 5.471 -3.519 109 HB3 ALA 13 HB3 ALA 13 0.784 3.920 -4.204 110 H LEU 14 HN LEU 14 -2.126 4.559 -2.493 111 HA LEU 14 HA LEU 14 -3.173 2.227 -3.637 112 HB2 LEU 14 HB2 LEU 14 -2.772 2.648 -1.426 113 HB3 LEU 14 HB1 LEU 14 -3.979 3.919 -1.280 114 HG LEU 14 HG LEU 14 -5.694 2.053 -1.823 115 HD11 LEU 14 HD11 LEU 14 -4.087 0.422 -2.651 116 HD12 LEU 14 HD12 LEU 14 -4.983 -0.207 -1.268 117 HD13 LEU 14 HD13 LEU 14 -3.326 0.359 -1.062 118 HD21 LEU 14 HD21 LEU 14 -4.140 1.885 0.755 119 HD22 LEU 14 HD22 LEU 14 -5.812 1.365 0.493 120 HD23 LEU 14 HD23 LEU 14 -5.391 3.068 0.390 121 H VAL 15 HN VAL 15 -4.514 5.460 -3.162 122 HA VAL 15 HA VAL 15 -7.088 5.063 -4.188 123 HB VAL 15 HB VAL 15 -5.355 7.575 -4.147 124 HG11 VAL 15 HG11 VAL 15 -8.323 7.383 -4.679 125 HG12 VAL 15 HG12 VAL 15 -7.095 7.796 -5.873 126 HG13 VAL 15 HG13 VAL 15 -7.392 8.868 -4.502 127 HG21 VAL 15 HG21 VAL 15 -5.918 6.702 -1.952 128 HG22 VAL 15 HG22 VAL 15 -7.627 6.684 -2.380 129 HG23 VAL 15 HG23 VAL 15 -6.764 8.218 -2.256 130 H GLU 16 HN GLU 16 -4.053 5.901 -5.829 131 HA GLU 16 HA GLU 16 -5.337 6.255 -8.352 132 HB2 GLU 16 HB2 GLU 16 -3.127 7.290 -7.632 133 HB3 GLU 16 HB1 GLU 16 -2.404 5.718 -7.951 134 HG2 GLU 16 HG2 GLU 16 -3.179 5.839 -10.272 135 HG3 GLU 16 HG1 GLU 16 -3.883 7.417 -9.922 136 H SER 17 HN SER 17 -3.667 3.556 -6.754 137 HA SER 17 HA SER 17 -3.718 1.850 -8.969 138 HB2 SER 17 HB2 SER 17 -3.520 1.308 -6.009 139 HB3 SER 17 HB1 SER 17 -3.325 0.072 -7.252 140 HG SER 17 HG SER 17 -1.382 0.779 -7.630 141 H ALA 18 HN ALA 18 -6.199 2.867 -6.860 142 HA ALA 18 HA ALA 18 -7.984 0.692 -7.416 143 HB1 ALA 18 HB1 ALA 18 -9.725 2.195 -6.509 144 HB2 ALA 18 HB2 ALA 18 -8.555 3.519 -6.487 145 HB3 ALA 18 HB3 ALA 18 -8.322 2.119 -5.441 146 H GLY 19 HN GLY 19 -7.399 3.933 -8.642 147 HA2 GLY 19 HA2 GLY 19 -7.420 4.354 -10.986 148 HA3 GLY 19 HA1 GLY 19 -8.669 3.122 -11.156 149 H GLU 20 HN GLU 20 -10.538 3.952 -11.623 150 HA GLU 20 HA GLU 20 -11.068 6.682 -10.899 151 HB2 GLU 20 HB2 GLU 20 -13.125 6.468 -12.244 152 HB3 GLU 20 HB1 GLU 20 -11.665 6.069 -13.134 153 HG2 GLU 20 HG2 GLU 20 -12.167 3.673 -12.781 154 HG3 GLU 20 HG1 GLU 20 -13.684 4.145 -12.012 155 H THR 21 HN THR 21 -11.435 3.912 -9.366 156 HA THR 21 HA THR 21 -13.886 4.603 -7.981 157 HB THR 21 HB THR 21 -13.266 2.591 -6.623 158 HG1 THR 21 HG1 THR 21 -11.777 1.243 -8.323 159 HG21 THR 21 HG21 THR 21 -13.756 2.263 -9.587 160 HG22 THR 21 HG22 THR 21 -14.982 2.504 -8.340 161 HG23 THR 21 HG23 THR 21 -14.046 1.009 -8.382 162 H ASP 22 HN ASP 22 -12.102 6.468 -7.764 163 HA ASP 22 HA ASP 22 -10.587 6.237 -5.286 164 HB2 ASP 22 HB2 ASP 22 -9.435 8.155 -5.886 165 HB3 ASP 22 HB1 ASP 22 -9.876 7.560 -7.474 166 H GLY 23 HN GLY 23 -10.982 7.609 -3.520 167 HA2 GLY 23 HA2 GLY 23 -12.133 9.337 -2.436 168 HA3 GLY 23 HA1 GLY 23 -13.414 9.230 -3.636 169 H THR 24 HN THR 24 -12.306 8.281 -0.595 170 HA THR 24 HA THR 24 -14.744 7.383 0.279 171 HB THR 24 HB THR 24 -14.088 5.259 -0.933 172 HG1 THR 24 HG1 THR 24 -15.204 4.568 0.666 173 HG21 THR 24 HG21 THR 24 -12.161 3.935 -0.140 174 HG22 THR 24 HG22 THR 24 -11.691 5.262 0.920 175 HG23 THR 24 HG23 THR 24 -11.648 5.478 -0.831 176 H ASP 25 HN ASP 25 -14.040 6.417 2.669 177 HA ASP 25 HA ASP 25 -12.138 8.393 3.564 178 HB2 ASP 25 HB2 ASP 25 -13.733 6.380 5.171 179 HB3 ASP 25 HB1 ASP 25 -12.578 7.500 5.885 180 H LEU 26 HN LEU 26 -10.332 7.863 2.691 181 HA LEU 26 HA LEU 26 -8.989 5.446 3.687 182 HB2 LEU 26 HB2 LEU 26 -9.793 5.422 1.246 183 HB3 LEU 26 HB1 LEU 26 -8.660 6.718 0.966 184 HG LEU 26 HG LEU 26 -6.801 5.213 1.580 185 HD11 LEU 26 HD11 LEU 26 -8.024 3.720 3.079 186 HD12 LEU 26 HD12 LEU 26 -7.232 2.813 1.788 187 HD13 LEU 26 HD13 LEU 26 -8.968 3.114 1.716 188 HD21 LEU 26 HD21 LEU 26 -7.473 5.484 -0.749 189 HD22 LEU 26 HD22 LEU 26 -8.641 4.174 -0.574 190 HD23 LEU 26 HD23 LEU 26 -6.914 3.841 -0.441 191 H SER 27 HN SER 27 -9.186 8.274 4.531 192 HA SER 27 HA SER 27 -6.373 9.049 4.323 193 HB2 SER 27 HB2 SER 27 -7.949 10.454 2.887 194 HB3 SER 27 HB1 SER 27 -8.736 10.935 4.386 195 HG SER 27 HG SER 27 -7.224 12.432 3.677 196 H GLY 28 HN GLY 28 -5.513 9.635 6.308 197 HA2 GLY 28 HA2 GLY 28 -5.572 10.250 8.564 198 HA3 GLY 28 HA1 GLY 28 -7.316 10.005 8.569 199 H ASP 29 HN ASP 29 -7.974 8.286 9.669 200 HA ASP 29 HA ASP 29 -6.037 6.201 10.251 201 HB2 ASP 29 HB2 ASP 29 -8.840 6.607 11.303 202 HB3 ASP 29 HB1 ASP 29 -7.811 5.252 11.737 203 H PHE 30 HN PHE 30 -5.845 5.180 8.371 204 HA PHE 30 HA PHE 30 -8.123 3.435 7.748 205 HB2 PHE 30 HB2 PHE 30 -7.678 3.582 5.360 206 HB3 PHE 30 HB1 PHE 30 -7.945 5.196 5.998 207 HD1 PHE 30 HD1 PHE 30 -5.853 6.633 6.455 208 HD2 PHE 30 HD2 PHE 30 -5.786 3.075 4.126 209 HE1 PHE 30 HE1 PHE 30 -3.768 7.370 5.385 210 HE2 PHE 30 HE2 PHE 30 -3.699 3.805 3.060 211 HZ PHE 30 HZ PHE 30 -2.689 5.955 3.690 212 H LEU 31 HN LEU 31 -5.490 3.358 9.247 213 HA LEU 31 HA LEU 31 -3.784 1.704 7.669 214 HB2 LEU 31 HB2 LEU 31 -3.642 2.467 10.580 215 HB3 LEU 31 HB1 LEU 31 -2.487 1.403 9.813 216 HG LEU 31 HG LEU 31 -1.487 3.531 9.971 217 HD11 LEU 31 HD11 LEU 31 -0.994 2.391 7.939 218 HD12 LEU 31 HD12 LEU 31 -1.042 4.133 7.656 219 HD13 LEU 31 HD13 LEU 31 -2.392 3.118 7.148 220 HD21 LEU 31 HD21 LEU 31 -3.891 4.714 8.582 221 HD22 LEU 31 HD22 LEU 31 -2.429 5.592 9.048 222 HD23 LEU 31 HD23 LEU 31 -3.483 4.914 10.287 223 H ASP 32 HN ASP 32 -6.208 1.101 10.114 224 HA ASP 32 HA ASP 32 -5.598 -1.765 9.883 225 HB2 ASP 32 HB2 ASP 32 -6.953 -2.164 11.873 226 HB3 ASP 32 HB1 ASP 32 -5.718 -0.961 12.204 227 H LEU 33 HN LEU 33 -7.328 0.302 8.272 228 HA LEU 33 HA LEU 33 -9.889 -0.952 8.128 229 HB2 LEU 33 HB2 LEU 33 -9.512 1.413 7.526 230 HB3 LEU 33 HB1 LEU 33 -8.462 0.911 6.220 231 HG LEU 33 HG LEU 33 -10.401 -0.157 5.111 232 HD11 LEU 33 HD11 LEU 33 -12.662 0.358 5.889 233 HD12 LEU 33 HD12 LEU 33 -11.992 1.133 7.324 234 HD13 LEU 33 HD13 LEU 33 -11.773 -0.598 7.076 235 HD21 LEU 33 HD21 LEU 33 -9.705 2.097 4.517 236 HD22 LEU 33 HD22 LEU 33 -10.731 2.762 5.789 237 HD23 LEU 33 HD23 LEU 33 -11.458 1.933 4.411 238 H ARG 34 HN ARG 34 -10.043 -2.942 7.405 239 HA ARG 34 HA ARG 34 -7.943 -4.162 5.931 240 HB2 ARG 34 HB2 ARG 34 -10.704 -5.225 6.460 241 HB3 ARG 34 HB1 ARG 34 -9.339 -6.148 5.856 242 HG2 ARG 34 HG2 ARG 34 -8.136 -5.680 7.924 243 HG3 ARG 34 HG1 ARG 34 -9.570 -4.864 8.574 244 HD2 ARG 34 HD2 ARG 34 -9.236 -7.758 7.806 245 HD3 ARG 34 HD1 ARG 34 -9.605 -7.102 9.400 246 HE ARG 34 HE ARG 34 -11.747 -6.371 8.435 247 HH11 ARG 34 HH11 ARG 34 -10.033 -9.221 7.161 248 HH12 ARG 34 HH12 ARG 34 -11.380 -9.827 6.322 249 HH21 ARG 34 HH21 ARG 34 -13.622 -7.241 7.229 250 HH22 ARG 34 HH22 ARG 34 -13.404 -8.697 6.339 251 H PHE 35 HN PHE 35 -7.654 -4.440 3.909 252 HA PHE 35 HA PHE 35 -8.936 -3.007 1.922 253 HB2 PHE 35 HB2 PHE 35 -7.295 -5.518 1.694 254 HB3 PHE 35 HB1 PHE 35 -7.792 -4.533 0.325 255 HD1 PHE 35 HD2 PHE 35 -7.215 -1.929 0.695 256 HD2 PHE 35 HD1 PHE 35 -5.178 -5.218 2.449 257 HE1 PHE 35 HE2 PHE 35 -5.193 -0.553 0.934 258 HE2 PHE 35 HE1 PHE 35 -3.159 -3.848 2.693 259 HZ PHE 35 HZ PHE 35 -3.163 -1.513 1.927 260 H GLU 36 HN GLU 36 -9.559 -6.211 3.087 261 HA GLU 36 HA GLU 36 -11.180 -7.269 1.084 262 HB2 GLU 36 HB2 GLU 36 -10.362 -8.546 3.018 263 HB3 GLU 36 HB1 GLU 36 -11.436 -7.637 4.070 264 HG2 GLU 36 HG2 GLU 36 -13.350 -8.522 2.698 265 HG3 GLU 36 HG1 GLU 36 -12.186 -9.596 1.923 266 H ASP 37 HN ASP 37 -11.962 -5.038 3.699 267 HA ASP 37 HA ASP 37 -14.798 -5.254 3.374 268 HB2 ASP 37 HB2 ASP 37 -13.791 -4.672 5.536 269 HB3 ASP 37 HB1 ASP 37 -13.173 -3.176 4.844 270 H ILE 38 HN ILE 38 -12.303 -3.042 2.339 271 HA ILE 38 HA ILE 38 -14.282 -1.297 1.160 272 HB ILE 38 HB ILE 38 -12.342 0.157 0.515 273 HG12 ILE 38 HG12 ILE 38 -10.791 -1.824 2.217 274 HG13 ILE 38 HG11 ILE 38 -10.600 -1.600 0.485 275 HG21 ILE 38 HG21 ILE 38 -12.686 -0.554 3.419 276 HG22 ILE 38 HG22 ILE 38 -13.676 0.568 2.488 277 HG23 ILE 38 HG23 ILE 38 -11.982 0.947 2.815 278 HD11 ILE 38 HD11 ILE 38 -8.809 -0.523 1.723 279 HD12 ILE 38 HD12 ILE 38 -9.989 0.443 2.614 280 HD13 ILE 38 HD13 ILE 38 -9.791 0.672 0.875 281 H GLY 39 HN GLY 39 -13.648 -3.995 0.114 282 HA2 GLY 39 HA2 GLY 39 -14.029 -4.930 -1.966 283 HA3 GLY 39 HA1 GLY 39 -14.162 -3.308 -2.610 284 H TYR 40 HN TYR 40 -11.199 -3.910 -0.978 285 HA TYR 40 HA TYR 40 -9.829 -3.778 -3.494 286 HB2 TYR 40 HB2 TYR 40 -9.174 -3.337 -0.663 287 HB3 TYR 40 HB1 TYR 40 -7.897 -3.961 -1.687 288 HD1 TYR 40 HD1 TYR 40 -10.401 -1.266 -1.451 289 HD2 TYR 40 HD2 TYR 40 -6.612 -2.440 -2.949 290 HE1 TYR 40 HE1 TYR 40 -10.064 0.988 -2.220 291 HE2 TYR 40 HE2 TYR 40 -6.208 -0.150 -3.751 292 HH TYR 40 HH TYR 40 -8.288 2.508 -2.948 293 H ASP 41 HN ASP 41 -9.216 -5.464 -4.499 294 HA ASP 41 HA ASP 41 -9.011 -8.051 -3.192 295 HB2 ASP 41 HB2 ASP 41 -8.392 -7.264 -6.060 296 HB3 ASP 41 HB1 ASP 41 -8.424 -8.905 -5.437 297 H SER 42 HN SER 42 -7.062 -9.158 -2.974 298 HA SER 42 HA SER 42 -4.818 -7.659 -2.353 299 HB2 SER 42 HB2 SER 42 -4.890 -10.594 -3.054 300 HB3 SER 42 HB1 SER 42 -3.714 -9.773 -2.011 301 H LEU 43 HN LEU 43 -5.839 -8.819 -5.405 302 HA LEU 43 HA LEU 43 -3.385 -8.748 -6.823 303 HB2 LEU 43 HB2 LEU 43 -6.205 -8.241 -7.786 304 HB3 LEU 43 HB1 LEU 43 -4.826 -8.482 -8.837 305 HG LEU 43 HG LEU 43 -5.903 -10.549 -6.914 306 HD11 LEU 43 HD11 LEU 43 -7.474 -10.115 -8.719 307 HD12 LEU 43 HD12 LEU 43 -6.713 -11.695 -8.917 308 HD13 LEU 43 HD13 LEU 43 -6.189 -10.332 -9.907 309 HD21 LEU 43 HD21 LEU 43 -3.811 -10.740 -9.085 310 HD22 LEU 43 HD22 LEU 43 -4.420 -12.083 -8.114 311 HD23 LEU 43 HD23 LEU 43 -3.507 -10.780 -7.348 312 H ALA 44 HN ALA 44 -5.803 -6.309 -6.016 313 HA ALA 44 HA ALA 44 -4.656 -4.198 -7.559 314 HB1 ALA 44 HB1 ALA 44 -6.234 -2.766 -6.359 315 HB2 ALA 44 HB2 ALA 44 -6.595 -4.082 -5.242 316 HB3 ALA 44 HB3 ALA 44 -7.037 -4.224 -6.943 317 H LEU 45 HN LEU 45 -4.074 -5.593 -4.499 318 HA LEU 45 HA LEU 45 -2.873 -3.340 -3.287 319 HB2 LEU 45 HB2 LEU 45 -2.430 -6.256 -2.662 320 HB3 LEU 45 HB1 LEU 45 -2.045 -4.905 -1.614 321 HG LEU 45 HG LEU 45 -4.778 -5.825 -2.446 322 HD11 LEU 45 HD11 LEU 45 -3.386 -5.772 0.214 323 HD12 LEU 45 HD12 LEU 45 -3.734 -7.206 -0.758 324 HD13 LEU 45 HD13 LEU 45 -5.057 -6.263 -0.064 325 HD21 LEU 45 HD21 LEU 45 -3.958 -3.479 -0.762 326 HD22 LEU 45 HD22 LEU 45 -5.612 -4.051 -0.991 327 HD23 LEU 45 HD23 LEU 45 -4.697 -3.405 -2.360 328 H MET 46 HN MET 46 -1.820 -6.020 -5.249 329 HA MET 46 HA MET 46 0.987 -5.650 -5.074 330 HB2 MET 46 HB2 MET 46 -0.658 -6.754 -7.372 331 HB3 MET 46 HB1 MET 46 1.078 -6.936 -7.187 332 HG2 MET 46 HG2 MET 46 0.788 -8.306 -5.247 333 HG3 MET 46 HG1 MET 46 -0.948 -7.998 -5.241 334 HE1 MET 46 HE1 MET 46 -0.913 -11.768 -6.279 335 HE2 MET 46 HE2 MET 46 -1.637 -10.550 -5.229 336 HE3 MET 46 HE3 MET 46 0.071 -10.953 -5.062 337 H GLU 47 HN GLU 47 -1.489 -4.507 -7.280 338 HA GLU 47 HA GLU 47 -0.004 -2.850 -8.955 339 HB2 GLU 47 HB2 GLU 47 -2.254 -3.423 -9.492 340 HB3 GLU 47 HB1 GLU 47 -2.847 -2.818 -7.971 341 HG2 GLU 47 HG2 GLU 47 -3.482 -1.436 -9.919 342 HG3 GLU 47 HG1 GLU 47 -2.612 -0.555 -8.674 343 H THR 48 HN THR 48 -1.259 -2.282 -5.755 344 HA THR 48 HA THR 48 -0.689 0.488 -5.600 345 HB THR 48 HB THR 48 -0.914 -1.571 -3.389 346 HG1 THR 48 HG1 THR 48 -2.820 -1.430 -4.742 347 HG21 THR 48 HG21 THR 48 -1.236 1.443 -3.339 348 HG22 THR 48 HG22 THR 48 0.115 0.544 -2.646 349 HG23 THR 48 HG23 THR 48 -1.505 0.358 -1.974 350 H ALA 49 HN ALA 49 1.036 -2.369 -4.282 351 HA ALA 49 HA ALA 49 3.255 -0.951 -3.320 352 HB1 ALA 49 HB1 ALA 49 3.118 -3.842 -4.161 353 HB2 ALA 49 HB2 ALA 49 2.665 -3.211 -2.578 354 HB3 ALA 49 HB3 ALA 49 4.342 -3.113 -3.120 355 H ALA 50 HN ALA 50 2.603 -2.398 -6.447 356 HA ALA 50 HA ALA 50 5.080 -2.455 -7.625 357 HB1 ALA 50 HB1 ALA 50 2.486 -1.739 -8.975 358 HB2 ALA 50 HB2 ALA 50 3.039 -3.375 -8.612 359 HB3 ALA 50 HB3 ALA 50 3.935 -2.373 -9.756 360 H ARG 51 HN ARG 51 2.875 0.331 -7.519 361 HA ARG 51 HA ARG 51 4.578 1.962 -9.119 362 HB2 ARG 51 HB2 ARG 51 3.179 3.828 -8.544 363 HB3 ARG 51 HB1 ARG 51 2.148 2.433 -8.816 364 HG2 ARG 51 HG2 ARG 51 1.864 2.136 -6.433 365 HG3 ARG 51 HG1 ARG 51 2.988 3.456 -6.113 366 HD2 ARG 51 HD2 ARG 51 0.779 4.291 -5.869 367 HD3 ARG 51 HD1 ARG 51 1.456 4.964 -7.348 368 HE ARG 51 HE ARG 51 -0.530 2.824 -7.159 369 HH11 ARG 51 HH11 ARG 51 0.968 5.544 -8.892 370 HH12 ARG 51 HH12 ARG 51 -0.068 5.446 -10.230 371 HH21 ARG 51 HH21 ARG 51 -1.845 2.606 -9.110 372 HH22 ARG 51 HH22 ARG 51 -1.640 3.707 -10.411 373 H LEU 52 HN LEU 52 4.408 1.251 -5.751 374 HA LEU 52 HA LEU 52 6.032 3.456 -4.924 375 HB2 LEU 52 HB2 LEU 52 5.258 0.936 -3.452 376 HB3 LEU 52 HB1 LEU 52 6.038 2.330 -2.730 377 HG LEU 52 HG LEU 52 3.273 2.302 -3.947 378 HD11 LEU 52 HD11 LEU 52 2.493 2.616 -1.656 379 HD12 LEU 52 HD12 LEU 52 4.151 2.459 -1.074 380 HD13 LEU 52 HD13 LEU 52 3.356 1.090 -1.850 381 HD21 LEU 52 HD21 LEU 52 3.078 4.566 -3.027 382 HD22 LEU 52 HD22 LEU 52 4.362 4.464 -4.233 383 HD23 LEU 52 HD23 LEU 52 4.765 4.502 -2.515 384 H GLU 53 HN GLU 53 6.480 0.070 -5.690 385 HA GLU 53 HA GLU 53 9.181 -0.251 -5.073 386 HB2 GLU 53 HB2 GLU 53 7.667 -1.319 -7.460 387 HB3 GLU 53 HB1 GLU 53 9.248 -1.864 -6.951 388 HG2 GLU 53 HG2 GLU 53 8.262 -2.713 -4.878 389 HG3 GLU 53 HG1 GLU 53 6.670 -2.185 -5.444 390 H SER 54 HN SER 54 7.661 0.710 -8.104 391 HA SER 54 HA SER 54 9.994 1.264 -9.510 392 HB2 SER 54 HB2 SER 54 7.829 0.811 -10.569 393 HB3 SER 54 HB1 SER 54 7.202 2.336 -9.951 394 HG SER 54 HG SER 54 9.207 1.860 -11.858 395 H ARG 55 HN ARG 55 8.059 3.370 -7.407 396 HA ARG 55 HA ARG 55 9.388 5.710 -8.377 397 HB2 ARG 55 HB2 ARG 55 7.020 5.683 -7.412 398 HB3 ARG 55 HB1 ARG 55 7.771 5.602 -5.820 399 HG2 ARG 55 HG2 ARG 55 8.874 7.702 -6.173 400 HG3 ARG 55 HG1 ARG 55 8.292 7.789 -7.834 401 HD2 ARG 55 HD2 ARG 55 6.870 9.232 -6.670 402 HD3 ARG 55 HD1 ARG 55 5.937 7.746 -6.774 403 HE ARG 55 HE ARG 55 7.337 7.687 -4.384 404 HH11 ARG 55 HH11 ARG 55 4.758 9.650 -5.859 405 HH12 ARG 55 HH12 ARG 55 4.108 10.173 -4.382 406 HH21 ARG 55 HH21 ARG 55 6.422 8.472 -2.315 407 HH22 ARG 55 HH22 ARG 55 5.087 9.512 -2.315 408 H TYR 56 HN TYR 56 9.968 3.519 -5.709 409 HA TYR 56 HA TYR 56 12.025 5.363 -4.716 410 HB2 TYR 56 HB2 TYR 56 10.549 3.162 -3.308 411 HB3 TYR 56 HB1 TYR 56 11.955 3.974 -2.623 412 HD1 TYR 56 HD1 TYR 56 11.834 6.254 -1.897 413 HD2 TYR 56 HD2 TYR 56 8.431 4.343 -3.563 414 HE1 TYR 56 HE1 TYR 56 10.415 8.064 -1.063 415 HE2 TYR 56 HE2 TYR 56 7.006 6.149 -2.723 416 HH TYR 56 HH TYR 56 8.295 9.068 -1.560 417 H GLY 57 HN GLY 57 11.758 2.441 -6.390 418 HA2 GLY 57 HA2 GLY 57 13.498 1.248 -7.306 419 HA3 GLY 57 HA1 GLY 57 14.625 2.169 -6.320 420 H VAL 58 HN VAL 58 12.036 -0.206 -5.939 421 HA VAL 58 HA VAL 58 13.778 -1.817 -4.299 422 HB VAL 58 HB VAL 58 12.554 -0.208 -2.750 423 HG11 VAL 58 HG11 VAL 58 10.092 -1.717 -3.563 424 HG12 VAL 58 HG12 VAL 58 10.439 -0.010 -3.822 425 HG13 VAL 58 HG13 VAL 58 10.195 -0.622 -2.190 426 HG21 VAL 58 HG21 VAL 58 13.462 -2.281 -1.864 427 HG22 VAL 58 HG22 VAL 58 11.971 -3.133 -2.276 428 HG23 VAL 58 HG23 VAL 58 11.954 -1.868 -1.053 429 H SER 59 HN SER 59 12.579 -4.021 -3.871 430 HA SER 59 HA SER 59 10.573 -4.466 -5.925 431 HB2 SER 59 HB2 SER 59 11.717 -6.643 -6.473 432 HB3 SER 59 HB1 SER 59 12.620 -5.211 -6.954 433 HG SER 59 HG SER 59 13.543 -5.610 -4.629 434 H ILE 60 HN ILE 60 8.877 -5.449 -5.148 435 HA ILE 60 HA ILE 60 9.189 -7.167 -2.805 436 HB ILE 60 HB ILE 60 7.074 -5.021 -3.168 437 HG12 ILE 60 HG12 ILE 60 9.163 -5.503 -1.031 438 HG13 ILE 60 HG11 ILE 60 9.180 -4.234 -2.245 439 HG21 ILE 60 HG21 ILE 60 5.978 -7.048 -2.353 440 HG22 ILE 60 HG22 ILE 60 6.042 -5.823 -1.085 441 HG23 ILE 60 HG23 ILE 60 7.165 -7.182 -1.056 442 HD11 ILE 60 HD11 ILE 60 8.536 -3.385 -0.081 443 HD12 ILE 60 HD12 ILE 60 7.197 -4.532 -0.013 444 HD13 ILE 60 HD13 ILE 60 7.200 -3.251 -1.224 445 HA PRO 61 HA PRO 61 7.337 -10.110 -5.529 446 HB2 PRO 61 HB2 PRO 61 6.787 -11.462 -2.940 447 HB3 PRO 61 HB1 PRO 61 7.570 -12.091 -4.395 448 HG2 PRO 61 HG2 PRO 61 9.019 -11.459 -2.272 449 HG3 PRO 61 HG1 PRO 61 9.596 -11.064 -3.902 450 HD2 PRO 61 HD2 PRO 61 8.355 -9.285 -1.843 451 HD3 PRO 61 HD1 PRO 61 9.709 -8.958 -2.949 452 H ASP 62 HN ASP 62 5.423 -10.894 -6.083 453 HA ASP 62 HA ASP 62 3.113 -9.404 -5.913 454 HB2 ASP 62 HB2 ASP 62 3.175 -12.383 -6.425 455 HB3 ASP 62 HB1 ASP 62 2.049 -11.196 -7.065 456 H ASP 63 HN ASP 63 3.838 -12.510 -4.445 457 HA ASP 63 HA ASP 63 1.406 -12.933 -3.120 458 HB2 ASP 63 HB2 ASP 63 4.132 -14.067 -2.478 459 HB3 ASP 63 HB1 ASP 63 2.620 -14.656 -1.806 460 H VAL 64 HN VAL 64 4.166 -11.137 -2.189 461 HA VAL 64 HA VAL 64 3.637 -10.966 0.614 462 HB VAL 64 HB VAL 64 5.224 -9.181 -1.237 463 HG11 VAL 64 HG11 VAL 64 4.649 -8.019 0.835 464 HG12 VAL 64 HG12 VAL 64 6.370 -8.399 0.811 465 HG13 VAL 64 HG13 VAL 64 5.264 -9.372 1.784 466 HG21 VAL 64 HG21 VAL 64 7.188 -10.386 -0.367 467 HG22 VAL 64 HG22 VAL 64 6.066 -11.454 -1.207 468 HG23 VAL 64 HG23 VAL 64 6.116 -11.437 0.557 469 H ALA 65 HN ALA 65 3.331 -8.618 -2.040 470 HA ALA 65 HA ALA 65 1.872 -6.669 -0.610 471 HB1 ALA 65 HB1 ALA 65 1.890 -7.205 -3.582 472 HB2 ALA 65 HB2 ALA 65 3.054 -6.202 -2.717 473 HB3 ALA 65 HB3 ALA 65 1.360 -5.717 -2.798 474 H GLY 66 HN GLY 66 0.883 -9.413 -2.526 475 HA2 GLY 66 HA2 GLY 66 -1.928 -8.815 -2.136 476 HA3 GLY 66 HA1 GLY 66 -1.259 -10.139 -3.079 477 H ARG 67 HN ARG 67 -0.532 -9.270 0.206 478 HA ARG 67 HA ARG 67 -2.031 -11.596 1.192 479 HB2 ARG 67 HB2 ARG 67 0.260 -12.374 1.139 480 HB3 ARG 67 HB1 ARG 67 0.827 -10.917 1.937 481 HG2 ARG 67 HG2 ARG 67 -0.323 -11.565 3.986 482 HG3 ARG 67 HG1 ARG 67 -0.964 -12.998 3.184 483 HD2 ARG 67 HD2 ARG 67 0.995 -13.455 4.636 484 HD3 ARG 67 HD1 ARG 67 1.234 -13.924 2.955 485 HE ARG 67 HE ARG 67 2.645 -12.046 2.663 486 HH11 ARG 67 HH11 ARG 67 1.862 -12.744 6.077 487 HH12 ARG 67 HH12 ARG 67 3.197 -11.918 6.703 488 HH21 ARG 67 HH21 ARG 67 4.542 -10.901 3.551 489 HH22 ARG 67 HH22 ARG 67 4.760 -10.836 5.216 490 H VAL 68 HN VAL 68 -0.744 -8.424 1.770 491 HA VAL 68 HA VAL 68 -1.370 -8.196 4.488 492 HB VAL 68 HB VAL 68 -1.158 -5.734 4.147 493 HG11 VAL 68 HG11 VAL 68 0.971 -7.438 2.874 494 HG12 VAL 68 HG12 VAL 68 0.783 -7.115 4.599 495 HG13 VAL 68 HG13 VAL 68 1.201 -5.805 3.497 496 HG21 VAL 68 HG21 VAL 68 -0.716 -6.489 1.248 497 HG22 VAL 68 HG22 VAL 68 -0.492 -4.877 1.928 498 HG23 VAL 68 HG23 VAL 68 -2.099 -5.598 1.870 499 H ASP 69 HN ASP 69 -3.108 -7.612 5.599 500 HA ASP 69 HA ASP 69 -5.672 -7.427 4.172 501 HB2 ASP 69 HB2 ASP 69 -5.228 -7.388 7.169 502 HB3 ASP 69 HB1 ASP 69 -6.730 -7.687 6.319 503 H THR 70 HN THR 70 -3.455 -5.642 6.142 504 HA THR 70 HA THR 70 -5.259 -3.343 6.147 505 HB THR 70 HB THR 70 -3.947 -2.599 8.164 506 HG1 THR 70 HG1 THR 70 -2.965 -5.289 8.054 507 HG21 THR 70 HG21 THR 70 -5.363 -5.265 8.380 508 HG22 THR 70 HG22 THR 70 -6.135 -3.681 8.395 509 HG23 THR 70 HG23 THR 70 -5.067 -4.150 9.715 510 HA PRO 71 HA PRO 71 -2.355 -1.069 3.634 511 HB2 PRO 71 HB2 PRO 71 -3.302 1.251 5.249 512 HB3 PRO 71 HB1 PRO 71 -3.275 1.042 3.492 513 HG2 PRO 71 HG2 PRO 71 -5.558 0.878 4.794 514 HG3 PRO 71 HG1 PRO 71 -5.193 -0.280 3.498 515 HD2 PRO 71 HD2 PRO 71 -5.015 -0.649 6.468 516 HD3 PRO 71 HD1 PRO 71 -5.682 -1.746 5.239 517 H ARG 72 HN ARG 72 -2.451 -0.845 7.100 518 HA ARG 72 HA ARG 72 -0.138 0.644 7.610 519 HB2 ARG 72 HB2 ARG 72 -1.790 -0.049 9.323 520 HB3 ARG 72 HB1 ARG 72 -1.206 -1.703 9.185 521 HG2 ARG 72 HG2 ARG 72 1.033 -0.900 9.921 522 HG3 ARG 72 HG1 ARG 72 0.315 0.690 10.196 523 HD2 ARG 72 HD2 ARG 72 -0.535 -1.886 11.504 524 HD3 ARG 72 HD1 ARG 72 0.437 -0.623 12.258 525 HE ARG 72 HE ARG 72 -1.529 0.842 12.042 526 HH11 ARG 72 HH11 ARG 72 -2.166 -2.645 11.718 527 HH12 ARG 72 HH12 ARG 72 -3.706 -2.561 12.419 528 HH21 ARG 72 HH21 ARG 72 -3.571 0.964 12.967 529 HH22 ARG 72 HH22 ARG 72 -4.511 -0.442 13.246 530 H GLU 73 HN GLU 73 -0.626 -2.793 6.913 531 HA GLU 73 HA GLU 73 2.129 -3.422 7.311 532 HB2 GLU 73 HB2 GLU 73 -0.078 -5.068 6.074 533 HB3 GLU 73 HB1 GLU 73 1.540 -5.658 6.431 534 HG2 GLU 73 HG2 GLU 73 -0.583 -4.787 8.358 535 HG3 GLU 73 HG1 GLU 73 0.143 -6.385 8.175 536 H LEU 74 HN LEU 74 0.094 -2.640 4.607 537 HA LEU 74 HA LEU 74 1.934 -3.378 2.582 538 HB2 LEU 74 HB2 LEU 74 -0.555 -2.859 2.310 539 HB3 LEU 74 HB1 LEU 74 -0.142 -1.168 2.429 540 HG LEU 74 HG LEU 74 -0.619 -2.020 0.127 541 HD11 LEU 74 HD11 LEU 74 1.245 -0.883 -1.000 542 HD12 LEU 74 HD12 LEU 74 2.155 -0.893 0.511 543 HD13 LEU 74 HD13 LEU 74 0.664 0.039 0.387 544 HD21 LEU 74 HD21 LEU 74 1.989 -3.483 0.473 545 HD22 LEU 74 HD22 LEU 74 1.120 -3.294 -1.049 546 HD23 LEU 74 HD23 LEU 74 0.391 -4.201 0.278 547 H LEU 75 HN LEU 75 1.383 -0.397 4.365 548 HA LEU 75 HA LEU 75 3.357 1.290 3.285 549 HB2 LEU 75 HB2 LEU 75 1.615 1.991 4.885 550 HB3 LEU 75 HB1 LEU 75 2.350 1.011 6.127 551 HG LEU 75 HG LEU 75 4.390 2.538 5.962 552 HD11 LEU 75 HD11 LEU 75 3.969 3.438 3.779 553 HD12 LEU 75 HD12 LEU 75 4.060 4.715 4.995 554 HD13 LEU 75 HD13 LEU 75 2.494 4.208 4.363 555 HD21 LEU 75 HD21 LEU 75 3.356 4.297 7.298 556 HD22 LEU 75 HD22 LEU 75 2.754 2.707 7.772 557 HD23 LEU 75 HD23 LEU 75 1.757 3.765 6.775 558 H ASP 76 HN ASP 76 3.399 -1.050 5.881 559 HA ASP 76 HA ASP 76 6.014 -0.641 6.788 560 HB2 ASP 76 HB2 ASP 76 4.268 -1.658 8.151 561 HB3 ASP 76 HB1 ASP 76 4.207 -3.040 7.070 562 H LEU 77 HN LEU 77 4.664 -2.895 4.427 563 HA LEU 77 HA LEU 77 6.897 -4.509 3.956 564 HB2 LEU 77 HB2 LEU 77 4.886 -3.540 1.923 565 HB3 LEU 77 HB1 LEU 77 5.996 -4.863 1.691 566 HG LEU 77 HG LEU 77 3.680 -4.780 3.610 567 HD11 LEU 77 HD11 LEU 77 2.751 -6.500 2.140 568 HD12 LEU 77 HD12 LEU 77 4.140 -6.331 1.070 569 HD13 LEU 77 HD13 LEU 77 3.024 -4.983 1.285 570 HD21 LEU 77 HD21 LEU 77 4.199 -7.137 4.045 571 HD22 LEU 77 HD22 LEU 77 5.532 -6.093 4.538 572 HD23 LEU 77 HD23 LEU 77 5.640 -7.010 3.036 573 H ILE 78 HN ILE 78 5.879 -1.547 2.330 574 HA ILE 78 HA ILE 78 8.069 -1.368 0.558 575 HB ILE 78 HB ILE 78 6.230 0.823 1.576 576 HG12 ILE 78 HG12 ILE 78 5.054 -1.016 0.382 577 HG13 ILE 78 HG11 ILE 78 4.969 0.508 -0.487 578 HG21 ILE 78 HG21 ILE 78 6.921 2.096 -0.414 579 HG22 ILE 78 HG22 ILE 78 8.079 0.828 -0.816 580 HG23 ILE 78 HG23 ILE 78 8.280 1.770 0.664 581 HD11 ILE 78 HD11 ILE 78 5.351 -1.342 -2.016 582 HD12 ILE 78 HD12 ILE 78 6.800 -1.800 -1.120 583 HD13 ILE 78 HD13 ILE 78 6.758 -0.277 -1.995 584 H ASN 79 HN ASN 79 7.326 0.618 3.419 585 HA ASN 79 HA ASN 79 9.768 1.963 3.437 586 HB2 ASN 79 HB2 ASN 79 7.818 1.548 5.714 587 HB3 ASN 79 HB1 ASN 79 9.161 2.679 5.746 588 HD21 ASN 79 HD21 ASN 79 7.850 4.493 5.970 589 HD22 ASN 79 HD22 ASN 79 6.758 5.005 4.732 590 H GLY 80 HN GLY 80 8.846 -1.059 5.017 591 HA2 GLY 80 HA2 GLY 80 11.146 -1.288 6.637 592 HA3 GLY 80 HA1 GLY 80 10.099 -2.607 6.119 593 H ALA 81 HN ALA 81 10.389 -2.311 3.351 594 HA ALA 81 HA ALA 81 12.880 -3.643 2.941 595 HB1 ALA 81 HB1 ALA 81 12.204 -3.758 0.591 596 HB2 ALA 81 HB2 ALA 81 10.881 -2.637 0.910 597 HB3 ALA 81 HB3 ALA 81 10.877 -4.236 1.650 598 H LEU 82 HN LEU 82 11.715 -0.407 2.572 599 HA LEU 82 HA LEU 82 13.937 0.588 1.112 600 HB2 LEU 82 HB2 LEU 82 12.010 2.018 2.951 601 HB3 LEU 82 HB1 LEU 82 13.191 2.825 1.939 602 HG LEU 82 HG LEU 82 10.884 1.151 0.950 603 HD11 LEU 82 HD11 LEU 82 10.151 3.248 1.916 604 HD12 LEU 82 HD12 LEU 82 9.968 3.265 0.163 605 HD13 LEU 82 HD13 LEU 82 11.309 4.129 0.921 606 HD21 LEU 82 HD21 LEU 82 12.808 1.035 -0.546 607 HD22 LEU 82 HD22 LEU 82 12.910 2.795 -0.569 608 HD23 LEU 82 HD23 LEU 82 11.508 1.982 -1.266 609 H ALA 83 HN ALA 83 13.208 0.245 4.533 610 HA ALA 83 HA ALA 83 15.588 1.441 5.493 611 HB1 ALA 83 HB1 ALA 83 13.865 -0.666 6.808 612 HB2 ALA 83 HB2 ALA 83 13.612 1.077 6.916 613 HB3 ALA 83 HB3 ALA 83 15.058 0.350 7.620 614 H GLU 84 HN GLU 84 15.026 -1.486 3.916 615 HA GLU 84 HA GLU 84 17.310 -2.890 4.962 616 HB2 GLU 84 HB2 GLU 84 15.275 -4.046 4.066 617 HB3 GLU 84 HB1 GLU 84 15.690 -3.460 2.466 618 HG2 GLU 84 HG2 GLU 84 16.375 -5.743 2.688 619 HG3 GLU 84 HG1 GLU 84 17.806 -4.713 2.587 620 H ALA 85 HN ALA 85 16.786 -0.407 2.714 621 HA ALA 85 HA ALA 85 19.054 -1.054 1.047 622 HB1 ALA 85 HB1 ALA 85 17.295 1.399 1.097 623 HB2 ALA 85 HB2 ALA 85 17.087 0.007 0.033 624 HB3 ALA 85 HB3 ALA 85 18.518 1.029 -0.118 625 H ALA 86 HN ALA 86 21.007 -0.230 1.271 626 HA ALA 86 HA ALA 86 21.449 1.708 3.417 627 HB1 ALA 86 HB1 ALA 86 23.691 0.693 3.649 628 HB2 ALA 86 HB2 ALA 86 23.272 -0.498 2.414 629 HB3 ALA 86 HB3 ALA 86 22.413 -0.486 3.955 630 H282 PNS 87 H28A PNS 87 -8.032 -12.285 -2.628 631 H281 PNS 87 H28B PNS 87 -7.045 -11.011 -3.362 632 H303 PNS 87 H30A PNS 87 -7.697 -13.341 -6.145 633 H302 PNS 87 H30B PNS 87 -7.856 -11.670 -5.602 634 H301 PNS 87 H30C PNS 87 -8.833 -12.944 -4.861 635 H313 PNS 87 H31A PNS 87 -5.219 -13.249 -5.695 636 H312 PNS 87 H31B PNS 87 -4.649 -12.742 -4.105 637 H311 PNS 87 H31C PNS 87 -5.415 -11.573 -5.179 638 H32 PNS 87 H32A PNS 87 -6.137 -14.581 -2.949 639 H33 PNS 87 H33A PNS 87 -5.305 -15.427 -4.623 640 H36 PNS 87 H36A PNS 87 -7.686 -16.465 -4.561 641 H372 PNS 87 H37A PNS 87 -9.640 -17.417 -2.921 642 H371 PNS 87 H37B PNS 87 -10.488 -16.214 -3.902 643 H382 PNS 87 H38A PNS 87 -9.732 -17.324 -5.925 644 H381 PNS 87 H38B PNS 87 -8.917 -18.547 -4.959 645 H41 PNS 87 H41A PNS 87 -10.294 -19.661 -6.554 646 H422 PNS 87 H42A PNS 87 -12.596 -20.825 -5.231 647 H421 PNS 87 H42B PNS 87 -12.947 -20.004 -6.749 648 H431 PNS 87 H43A PNS 87 -12.600 -22.361 -7.155 649 H432 PNS 87 H43B PNS 87 -11.030 -22.281 -6.360 650 H44 PNS 87 H1 PNS 87 -11.854 -20.700 -9.267 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 20.572 8.108 1.496 2 H2 MET 1 HT2 MET 1 18.884 8.156 1.155 3 H3 MET 1 HT3 MET 1 19.896 7.210 0.225 4 HA MET 1 HA MET 1 20.357 5.723 1.864 5 HB2 MET 1 HB2 MET 1 20.453 7.238 3.798 6 HB3 MET 1 HB1 MET 1 18.721 7.507 3.694 7 HG2 MET 1 HG2 MET 1 18.315 5.168 4.276 8 HG3 MET 1 HG1 MET 1 20.054 4.884 4.357 9 HE1 MET 1 HE1 MET 1 18.807 4.754 8.112 10 HE2 MET 1 HE2 MET 1 19.603 3.854 6.820 11 HE3 MET 1 HE3 MET 1 17.891 4.253 6.688 12 H ALA 2 HN ALA 2 17.098 7.032 2.585 13 HA ALA 2 HA ALA 2 15.921 5.230 0.682 14 HB1 ALA 2 HB1 ALA 2 16.322 3.734 2.576 15 HB2 ALA 2 HB2 ALA 2 14.599 4.031 2.347 16 HB3 ALA 2 HB3 ALA 2 15.471 4.855 3.640 17 H THR 3 HN THR 3 13.977 6.002 0.058 18 HA THR 3 HA THR 3 12.872 8.123 1.738 19 HB THR 3 HB THR 3 13.460 9.060 -0.402 20 HG1 THR 3 HG1 THR 3 11.741 10.104 -0.316 21 HG21 THR 3 HG21 THR 3 12.579 8.235 -2.565 22 HG22 THR 3 HG22 THR 3 11.861 6.854 -1.736 23 HG23 THR 3 HG23 THR 3 13.614 7.040 -1.779 24 H LEU 4 HN LEU 4 11.452 7.215 2.981 25 HA LEU 4 HA LEU 4 9.808 5.109 1.868 26 HB2 LEU 4 HB2 LEU 4 9.272 4.502 4.185 27 HB3 LEU 4 HB1 LEU 4 10.977 4.459 3.850 28 HG LEU 4 HG LEU 4 11.127 6.702 5.047 29 HD11 LEU 4 HD11 LEU 4 9.376 7.169 6.679 30 HD12 LEU 4 HD12 LEU 4 8.413 5.850 6.003 31 HD13 LEU 4 HD13 LEU 4 8.770 7.272 5.020 32 HD21 LEU 4 HD21 LEU 4 11.928 4.608 5.979 33 HD22 LEU 4 HD22 LEU 4 10.308 4.239 6.571 34 HD23 LEU 4 HD23 LEU 4 11.199 5.614 7.231 35 H LEU 5 HN LEU 5 7.528 5.094 2.484 36 HA LEU 5 HA LEU 5 6.585 7.804 2.077 37 HB2 LEU 5 HB2 LEU 5 4.617 6.697 1.004 38 HB3 LEU 5 HB1 LEU 5 6.144 6.521 0.173 39 HG LEU 5 HG LEU 5 6.220 4.227 1.418 40 HD11 LEU 5 HD11 LEU 5 4.040 3.187 1.684 41 HD12 LEU 5 HD12 LEU 5 3.266 4.748 1.400 42 HD13 LEU 5 HD13 LEU 5 4.294 4.516 2.815 43 HD21 LEU 5 HD21 LEU 5 6.200 4.483 -0.955 44 HD22 LEU 5 HD22 LEU 5 4.459 4.770 -0.951 45 HD23 LEU 5 HD23 LEU 5 5.099 3.190 -0.487 46 H THR 6 HN THR 6 4.725 8.548 3.036 47 HA THR 6 HA THR 6 4.267 7.422 5.675 48 HB THR 6 HB THR 6 3.195 9.627 6.159 49 HG1 THR 6 HG1 THR 6 4.063 10.254 3.481 50 HG21 THR 6 HG21 THR 6 5.580 9.298 6.646 51 HG22 THR 6 HG22 THR 6 5.275 10.957 6.126 52 HG23 THR 6 HG23 THR 6 5.992 9.797 5.007 53 H THR 7 HN THR 7 1.776 8.377 6.313 54 HA THR 7 HA THR 7 -0.032 6.534 5.379 55 HB THR 7 HB THR 7 -0.616 9.315 6.441 56 HG1 THR 7 HG1 THR 7 -0.282 8.526 8.447 57 HG21 THR 7 HG21 THR 7 -2.149 6.714 6.658 58 HG22 THR 7 HG22 THR 7 -2.585 8.082 5.631 59 HG23 THR 7 HG23 THR 7 -2.622 8.250 7.387 60 H ASP 8 HN ASP 8 0.222 10.002 4.547 61 HA ASP 8 HA ASP 8 -1.766 10.005 2.573 62 HB2 ASP 8 HB2 ASP 8 0.388 11.901 3.316 63 HB3 ASP 8 HB1 ASP 8 -0.454 12.133 1.788 64 H ASP 9 HN ASP 9 1.609 9.290 2.321 65 HA ASP 9 HA ASP 9 1.681 9.510 -0.530 66 HB2 ASP 9 HB2 ASP 9 3.497 7.863 1.237 67 HB3 ASP 9 HB1 ASP 9 3.768 8.216 -0.458 68 H LEU 10 HN LEU 10 1.211 6.861 1.726 69 HA LEU 10 HA LEU 10 0.837 4.820 -0.188 70 HB2 LEU 10 HB2 LEU 10 1.246 4.394 2.203 71 HB3 LEU 10 HB1 LEU 10 -0.300 5.107 2.603 72 HG LEU 10 HG LEU 10 -1.427 3.278 1.363 73 HD11 LEU 10 HD11 LEU 10 0.364 2.695 -0.170 74 HD12 LEU 10 HD12 LEU 10 -0.148 1.287 0.759 75 HD13 LEU 10 HD13 LEU 10 1.348 2.122 1.177 76 HD21 LEU 10 HD21 LEU 10 -1.138 3.152 3.779 77 HD22 LEU 10 HD22 LEU 10 0.443 2.405 3.563 78 HD23 LEU 10 HD23 LEU 10 -1.012 1.551 3.049 79 H ARG 11 HN ARG 11 -1.329 7.001 1.475 80 HA ARG 11 HA ARG 11 -3.834 6.315 0.614 81 HB2 ARG 11 HB2 ARG 11 -3.498 8.055 2.217 82 HB3 ARG 11 HB1 ARG 11 -2.584 9.017 1.076 83 HG2 ARG 11 HG2 ARG 11 -4.686 9.281 -0.252 84 HG3 ARG 11 HG1 ARG 11 -5.539 8.484 1.077 85 HD2 ARG 11 HD2 ARG 11 -4.880 10.198 2.616 86 HD3 ARG 11 HD1 ARG 11 -3.821 10.936 1.419 87 HE ARG 11 HE ARG 11 -6.573 10.753 0.641 88 HH11 ARG 11 HH11 ARG 11 -4.100 12.843 2.260 89 HH12 ARG 11 HH12 ARG 11 -4.990 14.246 2.044 90 HH21 ARG 11 HH21 ARG 11 -7.734 12.819 0.325 91 HH22 ARG 11 HH22 ARG 11 -7.038 14.255 0.902 92 H ARG 12 HN ARG 12 -1.774 8.751 -1.004 93 HA ARG 12 HA ARG 12 -3.497 8.959 -3.240 94 HB2 ARG 12 HB2 ARG 12 -1.634 10.189 -4.332 95 HB3 ARG 12 HB1 ARG 12 -2.144 10.834 -2.771 96 HG2 ARG 12 HG2 ARG 12 -0.235 9.766 -1.723 97 HG3 ARG 12 HG1 ARG 12 0.196 9.088 -3.300 98 HD2 ARG 12 HD2 ARG 12 0.641 11.261 -4.188 99 HD3 ARG 12 HD1 ARG 12 -0.044 12.045 -2.766 100 HE ARG 12 HE ARG 12 1.884 10.930 -1.558 101 HH11 ARG 12 HH11 ARG 12 2.105 11.867 -4.915 102 HH12 ARG 12 HH12 ARG 12 3.716 12.398 -4.872 103 HH21 ARG 12 HH21 ARG 12 4.117 11.512 -1.417 104 HH22 ARG 12 HH22 ARG 12 4.930 12.191 -2.758 105 H ALA 13 HN ALA 13 -0.880 6.854 -2.600 106 HA ALA 13 HA ALA 13 -0.517 5.961 -5.286 107 HB1 ALA 13 HB1 ALA 13 1.217 5.689 -3.586 108 HB2 ALA 13 HB2 ALA 13 0.764 4.140 -4.296 109 HB3 ALA 13 HB3 ALA 13 0.172 4.584 -2.696 110 H LEU 14 HN LEU 14 -2.444 4.894 -2.555 111 HA LEU 14 HA LEU 14 -3.449 2.551 -3.801 112 HB2 LEU 14 HB2 LEU 14 -3.297 2.936 -1.385 113 HB3 LEU 14 HB1 LEU 14 -4.564 4.146 -1.487 114 HG LEU 14 HG LEU 14 -6.123 2.337 -2.253 115 HD11 LEU 14 HD11 LEU 14 -4.457 0.803 -3.147 116 HD12 LEU 14 HD12 LEU 14 -5.451 0.015 -1.923 117 HD13 LEU 14 HD13 LEU 14 -3.815 0.543 -1.526 118 HD21 LEU 14 HD21 LEU 14 -6.372 1.302 -0.045 119 HD22 LEU 14 HD22 LEU 14 -6.072 3.033 0.081 120 HD23 LEU 14 HD23 LEU 14 -4.769 1.885 0.405 121 H VAL 15 HN VAL 15 -4.632 5.864 -3.403 122 HA VAL 15 HA VAL 15 -7.135 5.642 -4.655 123 HB VAL 15 HB VAL 15 -5.203 8.004 -4.765 124 HG11 VAL 15 HG11 VAL 15 -7.157 9.395 -5.242 125 HG12 VAL 15 HG12 VAL 15 -8.164 7.950 -5.324 126 HG13 VAL 15 HG13 VAL 15 -6.883 8.202 -6.511 127 HG21 VAL 15 HG21 VAL 15 -5.819 7.417 -2.488 128 HG22 VAL 15 HG22 VAL 15 -7.527 7.475 -2.925 129 HG23 VAL 15 HG23 VAL 15 -6.558 8.946 -2.962 130 H GLU 16 HN GLU 16 -3.926 5.882 -5.955 131 HA GLU 16 HA GLU 16 -4.589 6.396 -8.660 132 HB2 GLU 16 HB2 GLU 16 -2.368 6.791 -7.461 133 HB3 GLU 16 HB1 GLU 16 -2.073 5.072 -7.664 134 HG2 GLU 16 HG2 GLU 16 -0.957 6.332 -9.388 135 HG3 GLU 16 HG1 GLU 16 -2.240 5.345 -10.093 136 H SER 17 HN SER 17 -4.075 3.445 -6.764 137 HA SER 17 HA SER 17 -3.982 1.643 -8.881 138 HB2 SER 17 HB2 SER 17 -4.953 1.242 -6.056 139 HB3 SER 17 HB1 SER 17 -4.432 -0.025 -7.174 140 HG SER 17 HG SER 17 -2.883 0.710 -5.646 141 H ALA 18 HN ALA 18 -6.696 2.802 -6.922 142 HA ALA 18 HA ALA 18 -8.638 1.298 -8.340 143 HB1 ALA 18 HB1 ALA 18 -8.981 3.836 -6.756 144 HB2 ALA 18 HB2 ALA 18 -9.063 2.196 -6.111 145 HB3 ALA 18 HB3 ALA 18 -10.273 2.753 -7.270 146 H GLY 19 HN GLY 19 -7.461 4.597 -8.566 147 HA2 GLY 19 HA2 GLY 19 -7.179 5.920 -10.408 148 HA3 GLY 19 HA1 GLY 19 -7.801 4.612 -11.398 149 H GLU 20 HN GLU 20 -10.129 4.276 -11.249 150 HA GLU 20 HA GLU 20 -11.358 6.755 -11.942 151 HB2 GLU 20 HB2 GLU 20 -11.673 4.683 -13.250 152 HB3 GLU 20 HB1 GLU 20 -12.551 3.986 -11.899 153 HG2 GLU 20 HG2 GLU 20 -14.236 5.762 -12.113 154 HG3 GLU 20 HG1 GLU 20 -13.359 6.393 -13.507 155 H THR 21 HN THR 21 -11.577 7.895 -10.140 156 HA THR 21 HA THR 21 -12.499 8.799 -8.300 157 HB THR 21 HB THR 21 -14.975 8.670 -8.180 158 HG1 THR 21 HG1 THR 21 -14.694 6.422 -9.347 159 HG21 THR 21 HG21 THR 21 -13.850 10.312 -9.582 160 HG22 THR 21 HG22 THR 21 -15.334 9.762 -10.362 161 HG23 THR 21 HG23 THR 21 -13.771 9.153 -10.907 162 H ASP 22 HN ASP 22 -11.274 7.509 -6.762 163 HA ASP 22 HA ASP 22 -13.142 5.931 -5.147 164 HB2 ASP 22 HB2 ASP 22 -11.514 4.426 -6.261 165 HB3 ASP 22 HB1 ASP 22 -10.210 5.292 -5.457 166 H GLY 23 HN GLY 23 -13.039 6.206 -3.039 167 HA2 GLY 23 HA2 GLY 23 -10.914 7.432 -1.655 168 HA3 GLY 23 HA1 GLY 23 -12.258 8.556 -1.884 169 H THR 24 HN THR 24 -12.163 5.087 -1.376 170 HA THR 24 HA THR 24 -14.392 5.428 0.400 171 HB THR 24 HB THR 24 -14.606 3.754 -1.308 172 HG1 THR 24 HG1 THR 24 -14.335 2.260 1.085 173 HG21 THR 24 HG21 THR 24 -12.328 3.127 -1.742 174 HG22 THR 24 HG22 THR 24 -13.226 1.663 -1.315 175 HG23 THR 24 HG23 THR 24 -12.171 2.445 -0.129 176 H ASP 25 HN ASP 25 -13.314 6.488 2.091 177 HA ASP 25 HA ASP 25 -12.696 6.548 4.251 178 HB2 ASP 25 HB2 ASP 25 -12.288 3.558 4.031 179 HB3 ASP 25 HB1 ASP 25 -11.959 4.465 5.498 180 H LEU 26 HN LEU 26 -10.807 6.244 1.784 181 HA LEU 26 HA LEU 26 -8.268 5.753 2.978 182 HB2 LEU 26 HB2 LEU 26 -9.063 6.960 0.355 183 HB3 LEU 26 HB1 LEU 26 -7.402 7.061 0.888 184 HG LEU 26 HG LEU 26 -7.323 4.573 0.972 185 HD11 LEU 26 HD11 LEU 26 -9.674 4.077 1.250 186 HD12 LEU 26 HD12 LEU 26 -9.007 3.274 -0.173 187 HD13 LEU 26 HD13 LEU 26 -10.013 4.714 -0.364 188 HD21 LEU 26 HD21 LEU 26 -7.211 4.264 -1.436 189 HD22 LEU 26 HD22 LEU 26 -6.475 5.785 -0.928 190 HD23 LEU 26 HD23 LEU 26 -8.075 5.782 -1.671 191 H SER 27 HN SER 27 -10.297 8.460 2.938 192 HA SER 27 HA SER 27 -8.321 10.405 3.538 193 HB2 SER 27 HB2 SER 27 -11.309 10.349 3.964 194 HB3 SER 27 HB1 SER 27 -10.280 11.778 4.127 195 HG SER 27 HG SER 27 -10.324 12.018 2.128 196 H GLY 28 HN GLY 28 -7.250 10.516 5.410 197 HA2 GLY 28 HA2 GLY 28 -7.230 10.881 7.735 198 HA3 GLY 28 HA1 GLY 28 -8.693 9.921 7.873 199 H ASP 29 HN ASP 29 -8.257 8.244 9.066 200 HA ASP 29 HA ASP 29 -5.627 6.955 8.851 201 HB2 ASP 29 HB2 ASP 29 -7.743 6.538 10.974 202 HB3 ASP 29 HB1 ASP 29 -6.063 6.012 11.025 203 H PHE 30 HN PHE 30 -5.690 5.428 7.376 204 HA PHE 30 HA PHE 30 -8.026 3.644 7.340 205 HB2 PHE 30 HB2 PHE 30 -7.722 3.352 4.943 206 HB3 PHE 30 HB1 PHE 30 -7.895 5.057 5.321 207 HD1 PHE 30 HD1 PHE 30 -5.722 6.453 5.437 208 HD2 PHE 30 HD2 PHE 30 -5.929 2.581 3.682 209 HE1 PHE 30 HE1 PHE 30 -3.663 6.916 4.180 210 HE2 PHE 30 HE2 PHE 30 -3.859 3.039 2.431 211 HZ PHE 30 HZ PHE 30 -2.729 5.208 2.678 212 H LEU 31 HN LEU 31 -5.324 3.528 8.731 213 HA LEU 31 HA LEU 31 -3.913 1.446 7.315 214 HB2 LEU 31 HB2 LEU 31 -3.388 2.578 10.076 215 HB3 LEU 31 HB1 LEU 31 -2.368 1.422 9.254 216 HG LEU 31 HG LEU 31 -1.280 3.473 9.059 217 HD11 LEU 31 HD11 LEU 31 -1.213 2.237 7.023 218 HD12 LEU 31 HD12 LEU 31 -1.231 3.966 6.679 219 HD13 LEU 31 HD13 LEU 31 -2.696 3.011 6.461 220 HD21 LEU 31 HD21 LEU 31 -3.863 4.726 8.122 221 HD22 LEU 31 HD22 LEU 31 -2.303 5.545 8.195 222 HD23 LEU 31 HD23 LEU 31 -3.077 4.991 9.679 223 H ASP 32 HN ASP 32 -6.130 1.710 9.926 224 HA ASP 32 HA ASP 32 -5.971 -1.122 10.665 225 HB2 ASP 32 HB2 ASP 32 -7.831 1.086 11.614 226 HB3 ASP 32 HB1 ASP 32 -7.833 -0.554 12.233 227 H LEU 33 HN LEU 33 -7.303 0.623 8.260 228 HA LEU 33 HA LEU 33 -9.833 -0.791 8.189 229 HB2 LEU 33 HB2 LEU 33 -8.781 1.390 6.392 230 HB3 LEU 33 HB1 LEU 33 -10.388 0.692 6.315 231 HG LEU 33 HG LEU 33 -9.253 2.315 8.588 232 HD11 LEU 33 HD11 LEU 33 -9.814 3.647 6.650 233 HD12 LEU 33 HD12 LEU 33 -10.948 3.941 7.967 234 HD13 LEU 33 HD13 LEU 33 -11.422 2.927 6.602 235 HD21 LEU 33 HD21 LEU 33 -11.973 1.065 8.268 236 HD22 LEU 33 HD22 LEU 33 -11.490 2.163 9.561 237 HD23 LEU 33 HD23 LEU 33 -10.729 0.576 9.420 238 H ARG 34 HN ARG 34 -9.474 -2.741 7.599 239 HA ARG 34 HA ARG 34 -7.440 -3.692 5.929 240 HB2 ARG 34 HB2 ARG 34 -10.111 -4.887 6.558 241 HB3 ARG 34 HB1 ARG 34 -8.832 -5.721 5.704 242 HG2 ARG 34 HG2 ARG 34 -7.423 -5.609 7.671 243 HG3 ARG 34 HG1 ARG 34 -8.686 -4.713 8.535 244 HD2 ARG 34 HD2 ARG 34 -10.207 -6.525 8.328 245 HD3 ARG 34 HD1 ARG 34 -9.115 -7.390 7.262 246 HE ARG 34 HE ARG 34 -8.322 -6.819 10.008 247 HH11 ARG 34 HH11 ARG 34 -9.295 -9.162 7.475 248 HH12 ARG 34 HH12 ARG 34 -8.750 -10.521 8.336 249 HH21 ARG 34 HH21 ARG 34 -7.684 -8.751 11.223 250 HH22 ARG 34 HH22 ARG 34 -7.895 -10.300 10.506 251 H PHE 35 HN PHE 35 -7.490 -4.503 3.843 252 HA PHE 35 HA PHE 35 -8.756 -2.852 1.962 253 HB2 PHE 35 HB2 PHE 35 -7.324 -5.478 1.598 254 HB3 PHE 35 HB1 PHE 35 -7.837 -4.438 0.275 255 HD1 PHE 35 HD2 PHE 35 -6.969 -2.021 0.303 256 HD2 PHE 35 HD1 PHE 35 -5.241 -5.177 2.559 257 HE1 PHE 35 HE2 PHE 35 -4.872 -0.747 0.462 258 HE2 PHE 35 HE1 PHE 35 -3.140 -3.913 2.729 259 HZ PHE 35 HZ PHE 35 -2.951 -1.695 1.672 260 H GLU 36 HN GLU 36 -9.694 -5.809 3.400 261 HA GLU 36 HA GLU 36 -11.637 -6.650 1.562 262 HB2 GLU 36 HB2 GLU 36 -12.521 -8.017 3.433 263 HB3 GLU 36 HB1 GLU 36 -10.783 -8.168 3.232 264 HG2 GLU 36 HG2 GLU 36 -10.489 -6.535 5.076 265 HG3 GLU 36 HG1 GLU 36 -12.235 -6.571 5.323 266 H ASP 37 HN ASP 37 -11.693 -4.090 3.906 267 HA ASP 37 HA ASP 37 -14.585 -3.869 3.864 268 HB2 ASP 37 HB2 ASP 37 -13.397 -3.139 5.893 269 HB3 ASP 37 HB1 ASP 37 -12.504 -1.947 4.951 270 H ILE 38 HN ILE 38 -11.786 -2.266 2.523 271 HA ILE 38 HA ILE 38 -13.403 -0.308 1.184 272 HB ILE 38 HB ILE 38 -11.311 0.675 0.363 273 HG12 ILE 38 HG12 ILE 38 -9.941 -1.615 1.798 274 HG13 ILE 38 HG11 ILE 38 -10.022 -1.410 0.054 275 HG21 ILE 38 HG21 ILE 38 -10.366 1.288 2.550 276 HG22 ILE 38 HG22 ILE 38 -11.253 -0.039 3.297 277 HG23 ILE 38 HG23 ILE 38 -12.130 1.306 2.565 278 HD11 ILE 38 HD11 ILE 38 -7.864 -0.716 0.937 279 HD12 ILE 38 HD12 ILE 38 -8.664 0.459 1.983 280 HD13 ILE 38 HD13 ILE 38 -8.728 0.650 0.231 281 H GLY 39 HN GLY 39 -13.356 -3.251 0.423 282 HA2 GLY 39 HA2 GLY 39 -13.994 -4.376 -1.486 283 HA3 GLY 39 HA1 GLY 39 -14.067 -2.824 -2.291 284 H TYR 40 HN TYR 40 -11.071 -3.877 -0.846 285 HA TYR 40 HA TYR 40 -9.979 -3.813 -3.490 286 HB2 TYR 40 HB2 TYR 40 -9.010 -3.155 -0.862 287 HB3 TYR 40 HB1 TYR 40 -7.861 -4.134 -1.772 288 HD1 TYR 40 HD1 TYR 40 -10.017 -1.138 -2.044 289 HD2 TYR 40 HD2 TYR 40 -6.509 -3.116 -3.387 290 HE1 TYR 40 HE1 TYR 40 -9.343 0.890 -3.229 291 HE2 TYR 40 HE2 TYR 40 -5.821 -1.091 -4.591 292 HH TYR 40 HH TYR 40 -6.767 0.915 -5.483 293 H ASP 41 HN ASP 41 -8.822 -5.271 -4.430 294 HA ASP 41 HA ASP 41 -9.112 -8.053 -3.523 295 HB2 ASP 41 HB2 ASP 41 -8.102 -6.996 -6.189 296 HB3 ASP 41 HB1 ASP 41 -8.539 -8.650 -5.813 297 H SER 42 HN SER 42 -7.146 -9.353 -3.404 298 HA SER 42 HA SER 42 -4.895 -7.906 -2.554 299 HB2 SER 42 HB2 SER 42 -5.114 -10.826 -3.293 300 HB3 SER 42 HB1 SER 42 -3.799 -10.092 -2.357 301 H LEU 43 HN LEU 43 -5.852 -9.036 -5.646 302 HA LEU 43 HA LEU 43 -3.346 -8.883 -6.993 303 HB2 LEU 43 HB2 LEU 43 -6.131 -8.458 -8.094 304 HB3 LEU 43 HB1 LEU 43 -4.694 -8.768 -9.045 305 HG LEU 43 HG LEU 43 -5.959 -10.710 -7.114 306 HD11 LEU 43 HD11 LEU 43 -7.330 -10.369 -9.083 307 HD12 LEU 43 HD12 LEU 43 -6.572 -11.960 -9.121 308 HD13 LEU 43 HD13 LEU 43 -5.937 -10.656 -10.126 309 HD21 LEU 43 HD21 LEU 43 -3.654 -11.054 -9.032 310 HD22 LEU 43 HD22 LEU 43 -4.390 -12.333 -8.068 311 HD23 LEU 43 HD23 LEU 43 -3.542 -11.004 -7.275 312 H ALA 44 HN ALA 44 -5.692 -6.577 -5.951 313 HA ALA 44 HA ALA 44 -4.752 -4.413 -7.589 314 HB1 ALA 44 HB1 ALA 44 -6.671 -4.457 -5.257 315 HB2 ALA 44 HB2 ALA 44 -7.111 -4.587 -6.960 316 HB3 ALA 44 HB3 ALA 44 -6.401 -3.095 -6.344 317 H LEU 45 HN LEU 45 -3.968 -5.832 -4.592 318 HA LEU 45 HA LEU 45 -2.722 -3.539 -3.423 319 HB2 LEU 45 HB2 LEU 45 -2.159 -6.440 -2.855 320 HB3 LEU 45 HB1 LEU 45 -1.752 -5.076 -1.837 321 HG LEU 45 HG LEU 45 -4.477 -6.176 -2.420 322 HD11 LEU 45 HD11 LEU 45 -3.221 -7.381 -0.748 323 HD12 LEU 45 HD12 LEU 45 -4.544 -6.476 -0.002 324 HD13 LEU 45 HD13 LEU 45 -2.889 -5.868 0.100 325 HD21 LEU 45 HD21 LEU 45 -3.729 -3.685 -0.915 326 HD22 LEU 45 HD22 LEU 45 -5.346 -4.390 -1.000 327 HD23 LEU 45 HD23 LEU 45 -4.577 -3.756 -2.460 328 H MET 46 HN MET 46 -1.780 -6.199 -5.414 329 HA MET 46 HA MET 46 0.986 -5.686 -5.572 330 HB2 MET 46 HB2 MET 46 -0.943 -6.961 -7.521 331 HB3 MET 46 HB1 MET 46 0.798 -6.947 -7.759 332 HG2 MET 46 HG2 MET 46 1.161 -8.357 -5.862 333 HG3 MET 46 HG1 MET 46 -0.469 -8.048 -5.299 334 HE1 MET 46 HE1 MET 46 0.170 -8.684 -9.097 335 HE2 MET 46 HE2 MET 46 0.123 -10.443 -9.207 336 HE3 MET 46 HE3 MET 46 1.474 -9.647 -8.396 337 H GLU 47 HN GLU 47 -1.767 -4.572 -7.467 338 HA GLU 47 HA GLU 47 -0.565 -2.902 -9.349 339 HB2 GLU 47 HB2 GLU 47 -2.917 -3.435 -9.388 340 HB3 GLU 47 HB1 GLU 47 -3.163 -2.707 -7.825 341 HG2 GLU 47 HG2 GLU 47 -4.117 -1.312 -9.546 342 HG3 GLU 47 HG1 GLU 47 -2.776 -0.486 -8.767 343 H THR 48 HN THR 48 -1.573 -2.222 -6.073 344 HA THR 48 HA THR 48 -0.827 0.474 -5.912 345 HB THR 48 HB THR 48 -1.060 -1.614 -3.731 346 HG1 THR 48 HG1 THR 48 -3.038 -1.489 -4.797 347 HG21 THR 48 HG21 THR 48 -1.551 0.298 -2.263 348 HG22 THR 48 HG22 THR 48 -1.276 1.411 -3.606 349 HG23 THR 48 HG23 THR 48 0.060 0.453 -2.963 350 H ALA 49 HN ALA 49 0.860 -2.430 -4.642 351 HA ALA 49 HA ALA 49 3.118 -1.041 -3.732 352 HB1 ALA 49 HB1 ALA 49 2.903 -3.962 -4.449 353 HB2 ALA 49 HB2 ALA 49 2.492 -3.246 -2.885 354 HB3 ALA 49 HB3 ALA 49 4.156 -3.216 -3.458 355 H ALA 50 HN ALA 50 2.420 -2.498 -6.858 356 HA ALA 50 HA ALA 50 4.935 -2.612 -7.973 357 HB1 ALA 50 HB1 ALA 50 2.388 -1.861 -9.397 358 HB2 ALA 50 HB2 ALA 50 2.907 -3.504 -9.025 359 HB3 ALA 50 HB3 ALA 50 3.850 -2.515 -10.139 360 H ARG 51 HN ARG 51 2.777 0.199 -7.793 361 HA ARG 51 HA ARG 51 4.552 1.801 -9.379 362 HB2 ARG 51 HB2 ARG 51 3.074 3.603 -9.098 363 HB3 ARG 51 HB1 ARG 51 2.027 2.202 -9.056 364 HG2 ARG 51 HG2 ARG 51 2.010 2.368 -6.568 365 HG3 ARG 51 HG1 ARG 51 2.947 3.858 -6.705 366 HD2 ARG 51 HD2 ARG 51 0.726 4.593 -6.512 367 HD3 ARG 51 HD1 ARG 51 1.057 4.676 -8.242 368 HE ARG 51 HE ARG 51 -0.695 2.836 -6.849 369 HH11 ARG 51 HH11 ARG 51 0.565 3.946 -10.006 370 HH12 ARG 51 HH12 ARG 51 -0.379 2.844 -10.904 371 HH21 ARG 51 HH21 ARG 51 -1.973 1.377 -8.105 372 HH22 ARG 51 HH22 ARG 51 -1.776 1.280 -9.800 373 H LEU 52 HN LEU 52 4.227 1.043 -6.065 374 HA LEU 52 HA LEU 52 5.781 3.202 -5.050 375 HB2 LEU 52 HB2 LEU 52 5.155 0.535 -3.784 376 HB3 LEU 52 HB1 LEU 52 5.776 1.948 -2.952 377 HG LEU 52 HG LEU 52 3.064 1.691 -4.240 378 HD11 LEU 52 HD11 LEU 52 3.241 0.463 -2.162 379 HD12 LEU 52 HD12 LEU 52 2.225 1.892 -1.961 380 HD13 LEU 52 HD13 LEU 52 3.879 1.895 -1.353 381 HD21 LEU 52 HD21 LEU 52 3.907 3.950 -4.489 382 HD22 LEU 52 HD22 LEU 52 4.307 4.010 -2.772 383 HD23 LEU 52 HD23 LEU 52 2.622 3.909 -3.280 384 H GLU 53 HN GLU 53 6.373 -0.153 -5.904 385 HA GLU 53 HA GLU 53 9.075 -0.376 -5.276 386 HB2 GLU 53 HB2 GLU 53 7.566 -1.496 -7.631 387 HB3 GLU 53 HB1 GLU 53 9.177 -1.989 -7.159 388 HG2 GLU 53 HG2 GLU 53 8.310 -2.833 -5.059 389 HG3 GLU 53 HG1 GLU 53 6.687 -2.303 -5.522 390 H SER 54 HN SER 54 7.487 0.701 -8.188 391 HA SER 54 HA SER 54 9.729 1.205 -9.768 392 HB2 SER 54 HB2 SER 54 7.006 2.509 -9.936 393 HB3 SER 54 HB1 SER 54 8.192 2.364 -11.235 394 HG SER 54 HG SER 54 6.636 0.350 -10.001 395 H ARG 55 HN ARG 55 7.860 3.387 -7.636 396 HA ARG 55 HA ARG 55 9.388 5.658 -8.523 397 HB2 ARG 55 HB2 ARG 55 6.952 5.758 -7.925 398 HB3 ARG 55 HB1 ARG 55 7.427 5.576 -6.239 399 HG2 ARG 55 HG2 ARG 55 8.795 7.617 -6.440 400 HG3 ARG 55 HG1 ARG 55 8.205 7.821 -8.086 401 HD2 ARG 55 HD2 ARG 55 5.872 7.842 -7.096 402 HD3 ARG 55 HD1 ARG 55 6.648 7.967 -5.514 403 HE ARG 55 HE ARG 55 7.190 9.871 -7.666 404 HH11 ARG 55 HH11 ARG 55 6.177 9.342 -4.238 405 HH12 ARG 55 HH12 ARG 55 6.177 11.010 -3.928 406 HH21 ARG 55 HH21 ARG 55 7.108 12.129 -7.118 407 HH22 ARG 55 HH22 ARG 55 6.643 12.610 -5.568 408 H TYR 56 HN TYR 56 9.334 3.611 -5.623 409 HA TYR 56 HA TYR 56 11.197 5.486 -4.432 410 HB2 TYR 56 HB2 TYR 56 9.612 3.268 -3.122 411 HB3 TYR 56 HB1 TYR 56 10.696 4.380 -2.273 412 HD1 TYR 56 HD1 TYR 56 10.128 6.771 -2.079 413 HD2 TYR 56 HD2 TYR 56 7.450 4.024 -3.907 414 HE1 TYR 56 HE1 TYR 56 8.300 8.374 -1.782 415 HE2 TYR 56 HE2 TYR 56 5.608 5.630 -3.624 416 HH TYR 56 HH TYR 56 6.126 8.902 -2.577 417 H GLY 57 HN GLY 57 11.319 2.580 -6.069 418 HA2 GLY 57 HA2 GLY 57 13.286 1.580 -6.795 419 HA3 GLY 57 HA1 GLY 57 14.173 2.511 -5.602 420 H VAL 58 HN VAL 58 11.654 0.010 -5.588 421 HA VAL 58 HA VAL 58 13.387 -1.640 -3.959 422 HB VAL 58 HB VAL 58 11.979 -0.246 -2.393 423 HG11 VAL 58 HG11 VAL 58 9.977 0.010 -3.632 424 HG12 VAL 58 HG12 VAL 58 9.613 -0.740 -2.079 425 HG13 VAL 58 HG13 VAL 58 9.645 -1.720 -3.544 426 HG21 VAL 58 HG21 VAL 58 11.421 -3.213 -2.215 427 HG22 VAL 58 HG22 VAL 58 11.261 -2.058 -0.893 428 HG23 VAL 58 HG23 VAL 58 12.847 -2.382 -1.591 429 H SER 59 HN SER 59 12.359 -3.910 -3.758 430 HA SER 59 HA SER 59 10.584 -4.485 -6.022 431 HB2 SER 59 HB2 SER 59 12.847 -6.213 -4.995 432 HB3 SER 59 HB1 SER 59 11.833 -6.522 -6.408 433 HG SER 59 HG SER 59 12.756 -4.147 -6.749 434 H ILE 60 HN ILE 60 8.771 -5.449 -5.390 435 HA ILE 60 HA ILE 60 8.725 -6.898 -2.817 436 HB ILE 60 HB ILE 60 6.498 -5.199 -3.986 437 HG12 ILE 60 HG12 ILE 60 8.201 -4.716 -1.527 438 HG13 ILE 60 HG11 ILE 60 8.345 -3.849 -3.052 439 HG21 ILE 60 HG21 ILE 60 5.637 -7.130 -2.787 440 HG22 ILE 60 HG22 ILE 60 5.320 -5.655 -1.874 441 HG23 ILE 60 HG23 ILE 60 6.633 -6.729 -1.386 442 HD11 ILE 60 HD11 ILE 60 5.947 -3.845 -1.235 443 HD12 ILE 60 HD12 ILE 60 6.090 -2.974 -2.762 444 HD13 ILE 60 HD13 ILE 60 7.133 -2.552 -1.403 445 HA PRO 61 HA PRO 61 7.567 -10.165 -5.737 446 HB2 PRO 61 HB2 PRO 61 7.057 -11.487 -3.108 447 HB3 PRO 61 HB1 PRO 61 7.936 -12.096 -4.516 448 HG2 PRO 61 HG2 PRO 61 9.264 -11.254 -2.384 449 HG3 PRO 61 HG1 PRO 61 9.847 -10.871 -4.016 450 HD2 PRO 61 HD2 PRO 61 8.420 -9.124 -2.051 451 HD3 PRO 61 HD1 PRO 61 9.742 -8.722 -3.166 452 H ASP 62 HN ASP 62 5.687 -10.977 -6.399 453 HA ASP 62 HA ASP 62 3.345 -9.482 -6.047 454 HB2 ASP 62 HB2 ASP 62 2.239 -11.060 -7.511 455 HB3 ASP 62 HB1 ASP 62 3.869 -10.773 -8.099 456 H ASP 63 HN ASP 63 4.287 -12.523 -4.598 457 HA ASP 63 HA ASP 63 1.767 -13.202 -3.509 458 HB2 ASP 63 HB2 ASP 63 3.067 -14.837 -2.189 459 HB3 ASP 63 HB1 ASP 63 3.445 -14.894 -3.907 460 H VAL 64 HN VAL 64 4.429 -11.314 -2.453 461 HA VAL 64 HA VAL 64 3.777 -11.131 0.318 462 HB VAL 64 HB VAL 64 5.306 -9.278 -1.482 463 HG11 VAL 64 HG11 VAL 64 5.354 -9.583 1.548 464 HG12 VAL 64 HG12 VAL 64 4.704 -8.209 0.654 465 HG13 VAL 64 HG13 VAL 64 6.438 -8.537 0.631 466 HG21 VAL 64 HG21 VAL 64 6.257 -11.496 -1.536 467 HG22 VAL 64 HG22 VAL 64 6.290 -11.563 0.225 468 HG23 VAL 64 HG23 VAL 64 7.333 -10.429 -0.633 469 H ALA 65 HN ALA 65 3.568 -8.840 -2.365 470 HA ALA 65 HA ALA 65 2.147 -6.806 -1.105 471 HB1 ALA 65 HB1 ALA 65 2.084 -7.545 -4.027 472 HB2 ALA 65 HB2 ALA 65 3.303 -6.533 -3.250 473 HB3 ALA 65 HB3 ALA 65 1.628 -5.989 -3.337 474 H GLY 66 HN GLY 66 0.962 -9.645 -2.825 475 HA2 GLY 66 HA2 GLY 66 -1.779 -8.791 -2.413 476 HA3 GLY 66 HA1 GLY 66 -1.243 -10.204 -3.306 477 H ARG 67 HN ARG 67 -0.109 -9.528 -0.052 478 HA ARG 67 HA ARG 67 -2.067 -11.430 1.008 479 HB2 ARG 67 HB2 ARG 67 0.019 -12.682 0.380 480 HB3 ARG 67 HB1 ARG 67 0.912 -11.691 1.517 481 HG2 ARG 67 HG2 ARG 67 -0.384 -12.604 3.360 482 HG3 ARG 67 HG1 ARG 67 -1.340 -13.560 2.229 483 HD2 ARG 67 HD2 ARG 67 0.621 -14.821 1.591 484 HD3 ARG 67 HD1 ARG 67 1.644 -13.808 2.612 485 HE ARG 67 HE ARG 67 -0.508 -15.002 4.037 486 HH11 ARG 67 HH11 ARG 67 2.676 -15.889 2.689 487 HH12 ARG 67 HH12 ARG 67 3.092 -16.868 4.018 488 HH21 ARG 67 HH21 ARG 67 0.091 -16.432 5.823 489 HH22 ARG 67 HH22 ARG 67 1.592 -17.225 5.805 490 H VAL 68 HN VAL 68 -1.180 -8.438 1.230 491 HA VAL 68 HA VAL 68 -0.845 -8.377 4.122 492 HB VAL 68 HB VAL 68 -0.435 -5.890 3.822 493 HG11 VAL 68 HG11 VAL 68 1.412 -7.453 4.012 494 HG12 VAL 68 HG12 VAL 68 1.813 -6.164 2.874 495 HG13 VAL 68 HG13 VAL 68 1.355 -7.758 2.275 496 HG21 VAL 68 HG21 VAL 68 -1.592 -5.549 1.685 497 HG22 VAL 68 HG22 VAL 68 -0.427 -6.614 0.889 498 HG23 VAL 68 HG23 VAL 68 0.108 -5.079 1.571 499 H ASP 69 HN ASP 69 -2.627 -8.539 5.214 500 HA ASP 69 HA ASP 69 -5.223 -7.927 4.253 501 HB2 ASP 69 HB2 ASP 69 -4.270 -8.536 7.055 502 HB3 ASP 69 HB1 ASP 69 -5.960 -8.257 6.663 503 H THR 70 HN THR 70 -3.128 -6.127 6.453 504 HA THR 70 HA THR 70 -5.089 -3.971 6.302 505 HB THR 70 HB THR 70 -3.896 -3.009 8.291 506 HG1 THR 70 HG1 THR 70 -2.689 -5.534 8.703 507 HG21 THR 70 HG21 THR 70 -5.932 -4.318 8.595 508 HG22 THR 70 HG22 THR 70 -4.810 -4.619 9.928 509 HG23 THR 70 HG23 THR 70 -4.986 -5.804 8.629 510 HA PRO 71 HA PRO 71 -2.460 -1.582 3.649 511 HB2 PRO 71 HB2 PRO 71 -3.345 0.714 5.337 512 HB3 PRO 71 HB1 PRO 71 -3.404 0.521 3.580 513 HG2 PRO 71 HG2 PRO 71 -5.614 0.280 4.984 514 HG3 PRO 71 HG1 PRO 71 -5.278 -0.860 3.666 515 HD2 PRO 71 HD2 PRO 71 -4.982 -1.245 6.623 516 HD3 PRO 71 HD1 PRO 71 -5.637 -2.356 5.402 517 H ARG 72 HN ARG 72 -2.299 -1.258 7.104 518 HA ARG 72 HA ARG 72 0.051 0.238 7.333 519 HB2 ARG 72 HB2 ARG 72 -1.400 -0.149 9.216 520 HB3 ARG 72 HB1 ARG 72 -1.086 -1.875 9.147 521 HG2 ARG 72 HG2 ARG 72 1.243 -1.487 9.739 522 HG3 ARG 72 HG1 ARG 72 0.949 0.256 9.779 523 HD2 ARG 72 HD2 ARG 72 -0.425 -1.792 11.489 524 HD3 ARG 72 HD1 ARG 72 0.896 -0.749 12.008 525 HE ARG 72 HE ARG 72 -0.546 1.131 11.506 526 HH11 ARG 72 HH11 ARG 72 -2.115 -2.023 12.037 527 HH12 ARG 72 HH12 ARG 72 -3.490 -1.387 12.788 528 HH21 ARG 72 HH21 ARG 72 -2.505 2.035 12.397 529 HH22 ARG 72 HH22 ARG 72 -3.790 1.044 12.883 530 H GLU 73 HN GLU 73 -0.496 -3.208 6.862 531 HA GLU 73 HA GLU 73 2.157 -4.053 7.264 532 HB2 GLU 73 HB2 GLU 73 -0.139 -5.245 5.730 533 HB3 GLU 73 HB1 GLU 73 1.413 -6.051 5.918 534 HG2 GLU 73 HG2 GLU 73 -0.306 -5.160 8.211 535 HG3 GLU 73 HG1 GLU 73 -0.333 -6.781 7.516 536 H LEU 74 HN LEU 74 0.433 -2.899 4.454 537 HA LEU 74 HA LEU 74 2.544 -3.447 2.575 538 HB2 LEU 74 HB2 LEU 74 0.013 -3.164 2.128 539 HB3 LEU 74 HB1 LEU 74 0.284 -1.447 2.272 540 HG LEU 74 HG LEU 74 0.080 -2.267 -0.059 541 HD11 LEU 74 HD11 LEU 74 2.785 -1.098 0.572 542 HD12 LEU 74 HD12 LEU 74 1.289 -0.192 0.331 543 HD13 LEU 74 HD13 LEU 74 2.003 -1.088 -1.009 544 HD21 LEU 74 HD21 LEU 74 1.936 -3.504 -1.078 545 HD22 LEU 74 HD22 LEU 74 1.116 -4.432 0.181 546 HD23 LEU 74 HD23 LEU 74 2.674 -3.676 0.514 547 H LEU 75 HN LEU 75 1.424 -0.649 4.406 548 HA LEU 75 HA LEU 75 3.190 1.351 3.575 549 HB2 LEU 75 HB2 LEU 75 1.251 1.737 5.001 550 HB3 LEU 75 HB1 LEU 75 1.964 0.775 6.274 551 HG LEU 75 HG LEU 75 3.752 2.511 6.489 552 HD11 LEU 75 HD11 LEU 75 1.967 4.058 4.636 553 HD12 LEU 75 HD12 LEU 75 3.603 3.492 4.287 554 HD13 LEU 75 HD13 LEU 75 3.339 4.712 5.533 555 HD21 LEU 75 HD21 LEU 75 0.910 3.424 6.882 556 HD22 LEU 75 HD22 LEU 75 2.331 4.106 7.676 557 HD23 LEU 75 HD23 LEU 75 1.854 2.440 8.000 558 H ASP 76 HN ASP 76 3.412 -0.806 6.355 559 HA ASP 76 HA ASP 76 5.971 -0.075 7.229 560 HB2 ASP 76 HB2 ASP 76 4.368 -1.167 8.685 561 HB3 ASP 76 HB1 ASP 76 4.404 -2.614 7.688 562 H LEU 77 HN LEU 77 4.861 -2.506 4.985 563 HA LEU 77 HA LEU 77 7.124 -4.089 4.602 564 HB2 LEU 77 HB2 LEU 77 4.707 -4.126 3.570 565 HB3 LEU 77 HB1 LEU 77 5.399 -3.114 2.333 566 HG LEU 77 HG LEU 77 6.097 -5.984 2.954 567 HD11 LEU 77 HD11 LEU 77 3.991 -5.708 1.859 568 HD12 LEU 77 HD12 LEU 77 5.169 -6.406 0.744 569 HD13 LEU 77 HD13 LEU 77 4.732 -4.702 0.616 570 HD21 LEU 77 HD21 LEU 77 8.124 -4.794 2.200 571 HD22 LEU 77 HD22 LEU 77 7.246 -4.200 0.789 572 HD23 LEU 77 HD23 LEU 77 7.551 -5.928 0.977 573 H ILE 78 HN ILE 78 6.089 -1.169 2.890 574 HA ILE 78 HA ILE 78 8.337 -0.700 1.293 575 HB ILE 78 HB ILE 78 6.435 1.307 2.538 576 HG12 ILE 78 HG12 ILE 78 5.293 -0.364 1.131 577 HG13 ILE 78 HG11 ILE 78 5.227 1.243 0.418 578 HG21 ILE 78 HG21 ILE 78 8.440 2.435 1.802 579 HG22 ILE 78 HG22 ILE 78 7.109 2.817 0.702 580 HG23 ILE 78 HG23 ILE 78 8.337 1.647 0.226 581 HD11 ILE 78 HD11 ILE 78 5.643 -0.453 -1.265 582 HD12 ILE 78 HD12 ILE 78 7.082 -0.980 -0.392 583 HD13 ILE 78 HD13 ILE 78 7.030 0.629 -1.112 584 H ASN 79 HN ASN 79 7.422 0.798 4.372 585 HA ASN 79 HA ASN 79 9.638 2.426 4.769 586 HB2 ASN 79 HB2 ASN 79 8.053 1.055 6.959 587 HB3 ASN 79 HB1 ASN 79 9.080 2.458 7.161 588 HD21 ASN 79 HD21 ASN 79 7.931 3.482 4.508 589 HD22 ASN 79 HD22 ASN 79 6.414 4.169 4.981 590 H GLY 80 HN GLY 80 9.116 -0.810 6.100 591 HA2 GLY 80 HA2 GLY 80 11.564 -0.991 7.467 592 HA3 GLY 80 HA1 GLY 80 10.523 -2.335 7.027 593 H ALA 81 HN ALA 81 10.625 -2.249 4.257 594 HA ALA 81 HA ALA 81 13.009 -3.628 3.763 595 HB1 ALA 81 HB1 ALA 81 11.166 -2.344 1.744 596 HB2 ALA 81 HB2 ALA 81 10.967 -3.954 2.439 597 HB3 ALA 81 HB3 ALA 81 12.356 -3.601 1.413 598 H LEU 82 HN LEU 82 12.057 -0.333 3.015 599 HA LEU 82 HA LEU 82 14.450 0.303 1.642 600 HB2 LEU 82 HB2 LEU 82 12.312 2.056 2.835 601 HB3 LEU 82 HB1 LEU 82 13.646 2.660 1.863 602 HG LEU 82 HG LEU 82 11.550 0.710 0.904 603 HD11 LEU 82 HD11 LEU 82 10.717 2.575 -0.430 604 HD12 LEU 82 HD12 LEU 82 11.886 3.648 0.338 605 HD13 LEU 82 HD13 LEU 82 10.601 2.910 1.296 606 HD21 LEU 82 HD21 LEU 82 13.694 0.432 -0.226 607 HD22 LEU 82 HD22 LEU 82 13.742 2.159 -0.584 608 HD23 LEU 82 HD23 LEU 82 12.499 1.142 -1.310 609 H ALA 83 HN ALA 83 13.367 0.825 4.983 610 HA ALA 83 HA ALA 83 15.619 2.330 5.763 611 HB1 ALA 83 HB1 ALA 83 13.816 0.626 7.479 612 HB2 ALA 83 HB2 ALA 83 13.522 2.306 7.030 613 HB3 ALA 83 HB3 ALA 83 14.902 1.892 8.048 614 H GLU 84 HN GLU 84 14.965 -1.123 5.753 615 HA GLU 84 HA GLU 84 17.246 -1.974 7.168 616 HB2 GLU 84 HB2 GLU 84 15.210 -3.352 6.603 617 HB3 GLU 84 HB1 GLU 84 15.802 -3.445 4.955 618 HG2 GLU 84 HG2 GLU 84 16.336 -5.469 6.132 619 HG3 GLU 84 HG1 GLU 84 17.821 -4.589 5.772 620 H ALA 85 HN ALA 85 16.576 -1.622 3.711 621 HA ALA 85 HA ALA 85 17.785 -1.481 1.852 622 HB1 ALA 85 HB1 ALA 85 18.540 0.603 2.928 623 HB2 ALA 85 HB2 ALA 85 19.758 -0.085 1.851 624 HB3 ALA 85 HB3 ALA 85 19.923 -0.267 3.597 625 H ALA 86 HN ALA 86 18.237 -3.361 0.997 626 HA ALA 86 HA ALA 86 20.751 -4.608 1.795 627 HB1 ALA 86 HB1 ALA 86 19.745 -6.810 1.372 628 HB2 ALA 86 HB2 ALA 86 18.193 -6.035 1.046 629 HB3 ALA 86 HB3 ALA 86 18.892 -5.960 2.664 630 H282 PNS 87 H28A PNS 87 -7.918 -13.114 -2.898 631 H281 PNS 87 H28B PNS 87 -9.208 -12.144 -2.192 632 H303 PNS 87 H30A PNS 87 -10.485 -10.674 -5.158 633 H302 PNS 87 H30B PNS 87 -9.489 -9.938 -3.900 634 H301 PNS 87 H30C PNS 87 -10.770 -11.074 -3.465 635 H313 PNS 87 H31A PNS 87 -7.438 -10.761 -5.082 636 H312 PNS 87 H31B PNS 87 -8.416 -11.541 -6.326 637 H311 PNS 87 H31C PNS 87 -7.249 -12.487 -5.404 638 H32 PNS 87 H32A PNS 87 -10.609 -13.462 -4.001 639 H33 PNS 87 H33A PNS 87 -9.093 -14.878 -3.707 640 H36 PNS 87 H36A PNS 87 -9.338 -14.969 -6.249 641 H372 PNS 87 H37A PNS 87 -11.212 -15.174 -8.203 642 H371 PNS 87 H37B PNS 87 -10.361 -13.722 -8.689 643 H382 PNS 87 H38A PNS 87 -9.492 -15.546 -9.933 644 H381 PNS 87 H38B PNS 87 -8.246 -14.992 -8.809 645 H41 PNS 87 H41A PNS 87 -10.501 -16.713 -7.045 646 H422 PNS 87 H42A PNS 87 -9.895 -19.417 -7.650 647 H421 PNS 87 H42B PNS 87 -8.905 -18.821 -6.323 648 H431 PNS 87 H43A PNS 87 -10.867 -19.856 -5.415 649 H432 PNS 87 H43B PNS 87 -11.890 -18.868 -6.445 650 H44 PNS 87 H1 PNS 87 -9.914 -17.724 -3.943
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