NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
2351 | 1bqz | 4227 | cing | recoord | dress | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT1 ALA 1 70.433 -11.926 3.876 2 2H ALA 1 HT3 ALA 1 70.003 -13.423 3.205 3 3H ALA 1 HT2 ALA 1 71.571 -13.186 3.814 4 HA ALA 1 HA ALA 1 72.257 -11.955 2.016 5 1HB ALA 1 HB1 ALA 1 70.776 -14.335 1.645 6 2HB ALA 1 HB3 ALA 1 70.318 -13.270 0.316 7 3HB ALA 1 HB2 ALA 1 72.014 -13.677 0.573 8 H LYS 2 HN LYS 2 68.705 -12.236 1.584 9 HA LYS 2 HA LYS 2 68.578 -9.744 0.069 10 1HB LYS 2 HB2 LYS 2 66.846 -11.977 0.914 11 2HB LYS 2 HB1 LYS 2 66.008 -10.429 0.777 12 1HG LYS 2 HG2 LYS 2 67.545 -10.405 -1.488 13 2HG LYS 2 HG1 LYS 2 67.183 -12.124 -1.335 14 1HD LYS 2 HD2 LYS 2 64.764 -10.834 -0.755 15 2HD LYS 2 HD1 LYS 2 65.429 -9.949 -2.128 16 1HE LYS 2 HE2 LYS 2 65.925 -12.527 -2.901 17 2HE LYS 2 HE1 LYS 2 64.402 -12.719 -2.009 18 1HZ LYS 2 HZ1 LYS 2 64.760 -10.457 -3.863 19 2HZ LYS 2 HZ3 LYS 2 64.313 -11.976 -4.469 20 3HZ LYS 2 HZ2 LYS 2 63.322 -11.190 -3.335 21 H GLN 3 HN GLN 3 66.667 -8.189 0.886 22 HA GLN 3 HA GLN 3 67.164 -7.588 3.786 23 1HB GLN 3 HB2 GLN 3 67.580 -6.078 1.324 24 2HB GLN 3 HB1 GLN 3 66.548 -5.203 2.456 25 1HG GLN 3 HG2 GLN 3 68.405 -4.613 3.581 26 2HG GLN 3 HG1 GLN 3 68.602 -6.308 4.028 27 1HE2 GLN 3 HE22 GLN 3 70.710 -4.941 0.762 28 2HE2 GLN 3 HE21 GLN 3 69.206 -4.240 1.121 29 H ASP 4 HN ASP 4 65.345 -5.603 4.186 30 HA ASP 4 HA ASP 4 62.715 -6.666 3.226 31 1HB ASP 4 HB2 ASP 4 62.475 -5.718 5.920 32 2HB ASP 4 HB1 ASP 4 62.211 -7.354 5.325 33 H TYR 5 HN TYR 5 62.011 -5.082 2.049 34 HA TYR 5 HA TYR 5 62.556 -2.379 2.037 35 1HB TYR 5 HB2 TYR 5 59.738 -2.637 1.628 36 2HB TYR 5 HB1 TYR 5 61.020 -2.479 0.437 37 HD1 TYR 5 HD1 TYR 5 59.177 -4.960 2.484 38 HD2 TYR 5 HD2 TYR 5 61.706 -4.255 -0.908 39 HE1 TYR 5 HE1 TYR 5 58.844 -7.315 1.750 40 HE2 TYR 5 HE2 TYR 5 61.374 -6.604 -1.652 41 HH TYR 5 HH TYR 5 59.593 -8.409 -1.311 42 H TYR 6 HN TYR 6 59.762 -3.747 3.875 43 HA TYR 6 HA TYR 6 59.036 -1.419 5.256 44 1HB TYR 6 HB2 TYR 6 59.244 -4.251 6.329 45 2HB TYR 6 HB1 TYR 6 58.145 -2.995 6.902 46 HD1 TYR 6 HD1 TYR 6 56.603 -1.901 5.097 47 HD2 TYR 6 HD2 TYR 6 58.518 -5.720 4.648 48 HE1 TYR 6 HE1 TYR 6 54.944 -2.527 3.368 49 HE2 TYR 6 HE2 TYR 6 56.858 -6.345 2.916 50 HH TYR 6 HH TYR 6 54.227 -5.414 2.480 51 H GLU 7 HN GLU 7 61.831 -3.448 5.575 52 HA GLU 7 HA GLU 7 62.757 -2.123 8.058 53 1HB GLU 7 HB2 GLU 7 62.965 -4.636 7.352 54 2HB GLU 7 HB1 GLU 7 64.284 -4.071 6.326 55 1HG GLU 7 HG2 GLU 7 65.629 -3.525 8.118 56 2HG GLU 7 HG1 GLU 7 64.261 -3.168 9.171 57 H ILE 8 HN ILE 8 63.268 -2.228 4.595 58 HA ILE 8 HA ILE 8 65.695 -0.903 4.278 59 HB ILE 8 HB ILE 8 63.103 -0.841 2.737 60 1HG1 ILE 8 HG12 ILE 8 65.784 -2.256 2.468 61 2HG1 ILE 8 HG11 ILE 8 64.205 -2.997 2.731 62 1HG2 ILE 8 HG21 ILE 8 64.838 1.184 2.460 63 2HG2 ILE 8 HG23 ILE 8 65.684 -0.007 1.476 64 3HG2 ILE 8 HG22 ILE 8 64.034 0.460 1.073 65 1HD1 ILE 8 HD13 ILE 8 63.630 -1.714 0.466 66 2HD1 ILE 8 HD12 ILE 8 65.371 -1.856 0.226 67 3HD1 ILE 8 HD11 ILE 8 64.390 -3.305 0.448 68 H LEU 9 HN LEU 9 62.476 0.575 4.186 69 HA LEU 9 HA LEU 9 63.648 3.260 4.760 70 1HB LEU 9 HB2 LEU 9 60.773 2.459 4.298 71 2HB LEU 9 HB1 LEU 9 61.508 4.039 4.028 72 HG LEU 9 HG LEU 9 62.957 2.048 2.536 73 1HD1 LEU 9 HD13 LEU 9 60.124 1.553 2.743 74 2HD1 LEU 9 HD12 LEU 9 60.519 2.044 1.096 75 3HD1 LEU 9 HD11 LEU 9 61.337 0.660 1.823 76 1HD2 LEU 9 HD21 LEU 9 61.332 4.519 1.978 77 2HD2 LEU 9 HD23 LEU 9 63.062 4.256 1.769 78 3HD2 LEU 9 HD22 LEU 9 61.920 3.534 0.638 79 H GLY 10 HN GLY 10 63.635 1.208 6.944 80 1HA GLY 10 HA2 GLY 10 62.869 0.967 9.175 81 2HA GLY 10 HA1 GLY 10 62.847 2.737 9.153 82 H VAL 11 HN VAL 11 60.957 0.835 6.965 83 HA VAL 11 HA VAL 11 58.461 2.085 7.901 84 HB VAL 11 HB VAL 11 59.496 0.484 5.585 85 1HG1 VAL 11 HG11 VAL 11 57.152 -0.381 6.322 86 2HG1 VAL 11 HG13 VAL 11 56.577 1.173 5.729 87 3HG1 VAL 11 HG12 VAL 11 57.399 0.063 4.641 88 1HG2 VAL 11 HG22 VAL 11 59.500 3.055 5.918 89 2HG2 VAL 11 HG21 VAL 11 58.998 2.395 4.363 90 3HG2 VAL 11 HG23 VAL 11 57.787 2.932 5.521 91 H SER 12 HN SER 12 57.324 1.031 9.552 92 HA SER 12 HA SER 12 57.640 -1.608 10.449 93 1HB SER 12 HB2 SER 12 56.197 0.103 11.511 94 2HB SER 12 HB1 SER 12 55.110 0.047 10.126 95 HG SER 12 HG SER 12 55.723 -2.349 11.426 96 H LYS 13 HN LYS 13 56.743 -3.650 9.653 97 HA LYS 13 HA LYS 13 56.670 -4.106 6.955 98 1HB LYS 13 HB2 LYS 13 55.082 -5.994 7.514 99 2HB LYS 13 HB1 LYS 13 56.563 -5.912 8.466 100 1HG LYS 13 HG2 LYS 13 55.434 -5.503 10.391 101 2HG LYS 13 HG1 LYS 13 54.383 -4.319 9.613 102 1HD LYS 13 HD2 LYS 13 52.858 -6.001 10.143 103 2HD LYS 13 HD1 LYS 13 53.302 -6.443 8.495 104 1HE LYS 13 HE2 LYS 13 55.255 -7.657 10.123 105 2HE LYS 13 HE1 LYS 13 53.704 -7.954 10.935 106 1HZ LYS 13 HZ1 LYS 13 52.795 -8.541 8.705 107 2HZ LYS 13 HZ3 LYS 13 54.377 -8.490 8.093 108 3HZ LYS 13 HZ2 LYS 13 53.965 -9.629 9.285 109 H THR 14 HN THR 14 54.224 -2.491 8.793 110 HA THR 14 HA THR 14 52.651 -2.126 6.276 111 HB THR 14 HB THR 14 50.660 -2.348 7.575 112 HG1 THR 14 HG1 THR 14 50.609 -2.014 9.684 113 1HG2 THR 14 HG23 THR 14 52.340 -4.415 7.303 114 2HG2 THR 14 HG22 THR 14 52.309 -4.340 9.064 115 3HG2 THR 14 HG21 THR 14 50.809 -4.572 8.165 116 H ALA 15 HN ALA 15 54.877 -0.474 7.502 117 HA ALA 15 HA ALA 15 53.931 1.775 8.921 118 1HB ALA 15 HB3 ALA 15 56.250 0.815 7.667 119 2HB ALA 15 HB2 ALA 15 55.969 2.402 6.968 120 3HB ALA 15 HB1 ALA 15 56.129 2.224 8.715 121 H GLU 16 HN GLU 16 54.862 3.783 6.952 122 HA GLU 16 HA GLU 16 52.603 3.823 5.011 123 1HB GLU 16 HB2 GLU 16 52.864 5.267 7.457 124 2HB GLU 16 HB1 GLU 16 53.050 6.428 6.141 125 1HG GLU 16 HG2 GLU 16 50.876 4.444 5.796 126 2HG GLU 16 HG1 GLU 16 50.637 5.618 7.091 127 H GLU 17 HN GLU 17 53.268 6.610 4.347 128 HA GLU 17 HA GLU 17 55.553 6.106 2.557 129 1HB GLU 17 HB2 GLU 17 53.669 7.145 1.567 130 2HB GLU 17 HB1 GLU 17 53.441 8.230 2.938 131 1HG GLU 17 HG2 GLU 17 56.073 8.491 1.674 132 2HG GLU 17 HG1 GLU 17 54.736 8.890 0.596 133 H ARG 18 HN ARG 18 54.736 8.196 5.311 134 HA ARG 18 HA ARG 18 56.781 10.049 5.354 135 1HB ARG 18 HB2 ARG 18 56.724 9.471 7.942 136 2HB ARG 18 HB1 ARG 18 55.302 10.144 7.151 137 1HG ARG 18 HG2 ARG 18 54.107 8.222 7.389 138 2HG ARG 18 HG1 ARG 18 55.492 7.197 7.015 139 1HD ARG 18 HD2 ARG 18 56.279 7.240 9.247 140 2HD ARG 18 HD1 ARG 18 55.330 8.686 9.644 141 HE ARG 18 HE ARG 18 53.832 6.258 8.828 142 1HH1 ARG 18 HH11 ARG 18 53.173 8.955 10.410 143 2HH1 ARG 18 HH12 ARG 18 52.737 8.259 11.934 144 1HH2 ARG 18 HH21 ARG 18 54.005 5.124 11.166 145 2HH2 ARG 18 HH22 ARG 18 53.207 6.092 12.362 146 H GLU 19 HN GLU 19 57.290 7.162 7.372 147 HA GLU 19 HA GLU 19 60.041 7.234 7.547 148 1HB GLU 19 HB2 GLU 19 59.697 4.654 7.672 149 2HB GLU 19 HB1 GLU 19 58.863 5.654 8.849 150 1HG GLU 19 HG2 GLU 19 57.305 5.344 6.407 151 2HG GLU 19 HG1 GLU 19 57.690 3.786 7.137 152 H ILE 20 HN ILE 20 58.022 6.264 4.856 153 HA ILE 20 HA ILE 20 60.064 4.952 3.293 154 HB ILE 20 HB ILE 20 57.281 5.708 3.146 155 1HG1 ILE 20 HG12 ILE 20 57.708 4.001 1.071 156 2HG1 ILE 20 HG11 ILE 20 59.140 3.698 2.056 157 1HG2 ILE 20 HG22 ILE 20 58.983 6.503 0.783 158 2HG2 ILE 20 HG21 ILE 20 57.305 6.001 0.572 159 3HG2 ILE 20 HG23 ILE 20 57.686 7.414 1.557 160 1HD1 ILE 20 HD11 ILE 20 57.309 3.747 4.001 161 2HD1 ILE 20 HD13 ILE 20 56.276 3.204 2.682 162 3HD1 ILE 20 HD12 ILE 20 57.707 2.273 3.127 163 H ARG 21 HN ARG 21 58.846 8.272 3.568 164 HA ARG 21 HA ARG 21 60.827 9.229 1.573 165 1HB ARG 21 HB2 ARG 21 59.566 11.207 1.605 166 2HB ARG 21 HB1 ARG 21 58.347 10.007 2.018 167 1HG ARG 21 HG2 ARG 21 58.016 11.697 3.629 168 2HG ARG 21 HG1 ARG 21 58.995 10.512 4.484 169 1HD ARG 21 HD2 ARG 21 60.527 12.127 4.886 170 2HD ARG 21 HD1 ARG 21 60.805 12.254 3.137 171 HE ARG 21 HE ARG 21 58.367 13.598 3.737 172 1HH1 ARG 21 HH11 ARG 21 60.484 14.897 2.143 173 2HH1 ARG 21 HH12 ARG 21 61.052 16.149 3.197 174 1HH2 ARG 21 HH21 ARG 21 59.637 14.759 6.042 175 2HH2 ARG 21 HH22 ARG 21 60.571 16.071 5.405 176 H LYS 22 HN LYS 22 60.512 8.854 4.974 177 HA LYS 22 HA LYS 22 62.586 10.818 5.649 178 1HB LYS 22 HB2 LYS 22 60.769 10.655 7.157 179 2HB LYS 22 HB1 LYS 22 60.779 8.892 7.106 180 1HG LYS 22 HG2 LYS 22 61.766 9.928 9.214 181 2HG LYS 22 HG1 LYS 22 62.806 8.775 8.378 182 1HD LYS 22 HD2 LYS 22 64.241 10.591 8.803 183 2HD LYS 22 HD1 LYS 22 63.749 10.851 7.132 184 1HE LYS 22 HE2 LYS 22 62.834 12.848 7.690 185 2HE LYS 22 HE1 LYS 22 61.811 12.061 8.906 186 1HZ LYS 22 HZ1 LYS 22 63.744 11.994 10.393 187 2HZ LYS 22 HZ3 LYS 22 64.655 12.852 9.249 188 3HZ LYS 22 HZ2 LYS 22 63.314 13.588 9.989 189 H ALA 23 HN ALA 23 62.161 7.287 5.834 190 HA ALA 23 HA ALA 23 64.744 6.701 6.914 191 1HB ALA 23 HB2 ALA 23 62.758 5.261 7.032 192 2HB ALA 23 HB1 ALA 23 62.815 5.032 5.284 193 3HB ALA 23 HB3 ALA 23 64.110 4.398 6.299 194 H TYR 24 HN TYR 24 63.729 7.209 3.550 195 HA TYR 24 HA TYR 24 66.204 5.966 2.536 196 1HB TYR 24 HB2 TYR 24 64.025 5.768 1.363 197 2HB TYR 24 HB1 TYR 24 63.949 7.517 1.204 198 HD1 TYR 24 HD1 TYR 24 67.186 5.811 0.973 199 HD2 TYR 24 HD2 TYR 24 63.860 7.365 -1.262 200 HE1 TYR 24 HE1 TYR 24 68.533 5.705 -1.106 201 HE2 TYR 24 HE2 TYR 24 65.209 7.257 -3.339 202 HH TYR 24 HH TYR 24 67.124 6.589 -4.255 203 H LYS 25 HN LYS 25 64.639 9.132 2.630 204 HA LYS 25 HA LYS 25 66.837 10.634 1.594 205 1HB LYS 25 HB2 LYS 25 65.010 11.947 1.502 206 2HB LYS 25 HB1 LYS 25 64.171 10.906 2.632 207 1HG LYS 25 HG2 LYS 25 66.207 12.744 3.788 208 2HG LYS 25 HG1 LYS 25 64.720 13.472 3.188 209 1HD LYS 25 HD2 LYS 25 63.358 12.080 4.584 210 2HD LYS 25 HD1 LYS 25 64.736 11.082 5.046 211 1HE LYS 25 HE2 LYS 25 64.119 13.930 5.878 212 2HE LYS 25 HE1 LYS 25 64.494 12.536 6.906 213 1HZ LYS 25 HZ3 LYS 25 66.690 12.474 5.662 214 2HZ LYS 25 HZ2 LYS 25 66.315 14.042 5.126 215 3HZ LYS 25 HZ1 LYS 25 66.490 13.728 6.788 216 H ARG 26 HN ARG 26 66.405 9.079 4.604 217 HA ARG 26 HA ARG 26 68.009 10.940 6.204 218 1HB ARG 26 HB2 ARG 26 66.702 8.265 6.479 219 2HB ARG 26 HB1 ARG 26 67.989 8.665 7.617 220 1HG ARG 26 HG2 ARG 26 66.061 10.844 7.167 221 2HG ARG 26 HG1 ARG 26 65.367 9.406 7.919 222 1HD ARG 26 HD2 ARG 26 66.251 10.986 9.632 223 2HD ARG 26 HD1 ARG 26 67.151 9.457 9.650 224 HE ARG 26 HE ARG 26 68.160 11.716 7.984 225 1HH1 ARG 26 HH21 ARG 26 69.633 9.096 8.418 226 2HH1 ARG 26 HH22 ARG 26 70.804 9.555 9.609 227 1HH2 ARG 26 HH11 ARG 26 69.166 12.493 10.464 228 2HH2 ARG 26 HH12 ARG 26 70.538 11.481 10.771 229 H LEU 27 HN LEU 27 68.492 7.642 4.925 230 HA LEU 27 HA LEU 27 71.379 7.672 5.405 231 1HB LEU 27 HB2 LEU 27 71.224 5.429 4.578 232 2HB LEU 27 HB1 LEU 27 69.714 5.708 5.445 233 HG LEU 27 HG LEU 27 69.005 6.578 2.984 234 1HD1 LEU 27 HD13 LEU 27 71.355 5.808 2.228 235 2HD1 LEU 27 HD12 LEU 27 70.726 4.171 2.406 236 3HD1 LEU 27 HD11 LEU 27 69.977 5.282 1.260 237 1HD2 LEU 27 HD21 LEU 27 68.138 4.684 4.632 238 2HD2 LEU 27 HD23 LEU 27 67.637 4.700 2.940 239 3HD2 LEU 27 HD22 LEU 27 68.930 3.621 3.468 240 H ALA 28 HN ALA 28 69.162 8.387 2.834 241 HA ALA 28 HA ALA 28 71.078 8.297 0.654 242 1HB ALA 28 HB1 ALA 28 68.624 7.923 0.507 243 2HB ALA 28 HB3 ALA 28 68.353 9.598 0.982 244 3HB ALA 28 HB2 ALA 28 69.140 9.233 -0.555 245 H MET 29 HN MET 29 69.730 10.852 2.750 246 HA MET 29 HA MET 29 71.036 13.029 1.346 247 1HB MET 29 HB2 MET 29 70.388 14.300 3.311 248 2HB MET 29 HB1 MET 29 69.093 13.150 2.987 249 1HG MET 29 HG2 MET 29 69.335 12.497 5.139 250 2HG MET 29 HG1 MET 29 70.826 11.718 4.615 251 1HE MET 29 HE3 MET 29 69.356 13.163 7.012 252 2HE MET 29 HE2 MET 29 70.859 12.910 7.897 253 3HE MET 29 HE1 MET 29 70.205 14.539 7.730 254 H LYS 30 HN LYS 30 71.980 10.613 3.653 255 HA LYS 30 HA LYS 30 74.506 11.963 4.386 256 1HB LYS 30 HB2 LYS 30 73.154 9.332 5.044 257 2HB LYS 30 HB1 LYS 30 74.759 9.745 5.647 258 1HG LYS 30 HG2 LYS 30 73.951 11.526 6.949 259 2HG LYS 30 HG1 LYS 30 72.460 11.647 6.019 260 1HD LYS 30 HD2 LYS 30 71.467 10.360 7.576 261 2HD LYS 30 HD1 LYS 30 72.485 9.026 7.031 262 1HE LYS 30 HE2 LYS 30 72.730 9.416 9.480 263 2HE LYS 30 HE1 LYS 30 74.254 9.735 8.628 264 1HZ LYS 30 HZ2 LYS 30 72.589 12.030 8.574 265 2HZ LYS 30 HZ1 LYS 30 72.810 11.522 10.179 266 3HZ LYS 30 HZ3 LYS 30 74.156 11.866 9.208 267 H TYR 31 HN TYR 31 73.332 9.811 1.949 268 HA TYR 31 HA TYR 31 76.104 8.873 1.363 269 1HB TYR 31 HB2 TYR 31 73.359 7.787 1.085 270 2HB TYR 31 HB1 TYR 31 74.493 7.363 -0.204 271 HD1 TYR 31 HD1 TYR 31 77.048 7.210 1.110 272 HD2 TYR 31 HD2 TYR 31 73.202 5.949 2.530 273 HE1 TYR 31 HE1 TYR 31 78.145 5.577 2.610 274 HE2 TYR 31 HE2 TYR 31 74.291 4.311 4.031 275 HH TYR 31 HH TYR 31 76.374 3.858 5.059 276 H HIS 32 HN HIS 32 74.004 11.197 0.446 277 HA HIS 32 HA HIS 32 73.966 11.305 -2.368 278 1HB HIS 32 HB2 HIS 32 73.465 13.650 -1.839 279 2HB HIS 32 HB1 HIS 32 72.755 12.605 -0.628 280 HD1 HIS 32 HD1 HIS 32 76.058 12.232 0.277 281 HD2 HIS 32 HD2 HIS 32 73.441 15.451 0.619 282 HE1 HIS 32 HE1 HIS 32 77.015 13.746 2.067 283 HA PRO 33 HA PRO 33 77.881 12.754 -3.728 284 1HB PRO 33 HB2 PRO 33 78.291 15.465 -3.667 285 2HB PRO 33 HB1 PRO 33 77.303 14.640 -4.889 286 1HG PRO 33 HG2 PRO 33 76.455 16.105 -2.451 287 2HG PRO 33 HG1 PRO 33 75.716 16.061 -4.058 288 1HD PRO 33 HD2 PRO 33 74.786 14.704 -1.947 289 2HD PRO 33 HD1 PRO 33 74.571 14.144 -3.617 290 H ASP 34 HN ASP 34 78.035 11.831 -1.291 291 HA ASP 34 HA ASP 34 80.037 13.531 0.172 292 1HB ASP 34 HB2 ASP 34 78.748 13.073 2.001 293 2HB ASP 34 HB1 ASP 34 77.653 12.142 0.995 294 H ARG 35 HN ARG 35 79.137 10.349 -1.023 295 HA ARG 35 HA ARG 35 82.015 9.558 -1.065 296 1HB ARG 35 HB2 ARG 35 81.243 7.308 -0.300 297 2HB ARG 35 HB1 ARG 35 80.891 8.563 0.890 298 1HG ARG 35 HG2 ARG 35 78.863 7.366 0.740 299 2HG ARG 35 HG1 ARG 35 78.594 8.753 -0.312 300 1HD ARG 35 HD2 ARG 35 78.222 7.364 -2.031 301 2HD ARG 35 HD1 ARG 35 79.856 6.702 -1.852 302 HE ARG 35 HE ARG 35 77.425 5.635 -0.490 303 1HH1 ARG 35 HH11 ARG 35 79.417 4.979 1.377 304 2HH1 ARG 35 HH12 ARG 35 80.219 3.583 0.742 305 1HH2 ARG 35 HH21 ARG 35 79.046 4.049 -2.488 306 2HH2 ARG 35 HH22 ARG 35 80.009 3.055 -1.447 307 H ASN 36 HN ASN 36 78.758 9.419 -2.424 308 HA ASN 36 HA ASN 36 78.805 7.477 -4.366 309 1HB ASN 36 HB2 ASN 36 78.055 10.410 -4.609 310 2HB ASN 36 HB1 ASN 36 77.527 9.150 -5.713 311 1HD2 ASN 36 HD22 ASN 36 75.788 7.604 -2.697 312 2HD2 ASN 36 HD21 ASN 36 77.179 7.129 -3.541 313 H GLN 37 HN GLN 37 80.777 10.375 -4.241 314 HA GLN 37 HA GLN 37 81.704 10.200 -7.002 315 1HB GLN 37 HB2 GLN 37 83.069 11.697 -4.773 316 2HB GLN 37 HB1 GLN 37 82.849 12.182 -6.451 317 1HG GLN 37 HG2 GLN 37 80.239 11.868 -5.435 318 2HG GLN 37 HG1 GLN 37 81.136 12.699 -4.163 319 1HE2 GLN 37 HE22 GLN 37 81.704 15.640 -6.134 320 2HE2 GLN 37 HE21 GLN 37 82.301 14.739 -4.825 321 H GLY 38 HN GLY 38 82.252 8.153 -4.549 322 1HA GLY 38 HA2 GLY 38 84.930 7.427 -5.590 323 2HA GLY 38 HA1 GLY 38 84.771 7.675 -3.850 324 H ASP 39 HN ASP 39 81.984 6.444 -5.450 325 HA ASP 39 HA ASP 39 82.510 3.645 -5.470 326 1HB ASP 39 HB2 ASP 39 82.354 4.905 -2.873 327 2HB ASP 39 HB1 ASP 39 81.057 3.722 -3.047 328 H LYS 40 HN LYS 40 80.950 3.591 -7.128 329 HA LYS 40 HA LYS 40 78.245 4.636 -6.632 330 1HB LYS 40 HB2 LYS 40 79.956 4.057 -8.871 331 2HB LYS 40 HB1 LYS 40 78.450 3.161 -9.064 332 1HG LYS 40 HG2 LYS 40 77.184 5.061 -9.283 333 2HG LYS 40 HG1 LYS 40 78.200 5.988 -8.177 334 1HD LYS 40 HD2 LYS 40 79.472 6.790 -9.864 335 2HD LYS 40 HD1 LYS 40 79.629 5.195 -10.602 336 1HE LYS 40 HE2 LYS 40 76.912 6.124 -10.918 337 2HE LYS 40 HE1 LYS 40 78.043 7.344 -11.538 338 1HZ LYS 40 HZ1 LYS 40 79.256 5.243 -12.456 339 2HZ LYS 40 HZ3 LYS 40 77.718 4.536 -12.343 340 3HZ LYS 40 HZ2 LYS 40 77.950 5.913 -13.311 341 H GLU 41 HN GLU 41 80.001 1.726 -6.446 342 HA GLU 41 HA GLU 41 78.244 -0.376 -6.834 343 1HB GLU 41 HB2 GLU 41 79.461 -1.298 -4.773 344 2HB GLU 41 HB1 GLU 41 80.512 -0.649 -6.038 345 1HG GLU 41 HG2 GLU 41 80.826 1.411 -4.864 346 2HG GLU 41 HG1 GLU 41 79.515 1.051 -3.743 347 H ALA 42 HN ALA 42 78.157 2.137 -4.381 348 HA ALA 42 HA ALA 42 76.082 0.782 -2.764 349 1HB ALA 42 HB2 ALA 42 77.968 2.224 -1.882 350 2HB ALA 42 HB1 ALA 42 77.167 3.610 -2.621 351 3HB ALA 42 HB3 ALA 42 76.367 2.715 -1.330 352 H GLU 43 HN GLU 43 76.234 2.858 -5.477 353 HA GLU 43 HA GLU 43 74.058 4.580 -5.355 354 1HB GLU 43 HB2 GLU 43 75.551 4.141 -7.317 355 2HB GLU 43 HB1 GLU 43 74.666 2.641 -7.601 356 1HG GLU 43 HG2 GLU 43 73.115 3.775 -8.750 357 2HG GLU 43 HG1 GLU 43 72.739 4.708 -7.301 358 H ALA 44 HN ALA 44 73.825 1.285 -6.630 359 HA ALA 44 HA ALA 44 71.148 1.060 -6.964 360 1HB ALA 44 HB3 ALA 44 73.144 -0.933 -5.867 361 2HB ALA 44 HB2 ALA 44 71.526 -1.399 -6.389 362 3HB ALA 44 HB1 ALA 44 72.665 -0.716 -7.550 363 H LYS 45 HN LYS 45 72.833 0.420 -3.874 364 HA LYS 45 HA LYS 45 70.679 -0.304 -2.263 365 1HB LYS 45 HB2 LYS 45 72.933 -0.183 -1.406 366 2HB LYS 45 HB1 LYS 45 73.020 1.553 -1.734 367 1HG LYS 45 HG2 LYS 45 71.542 2.085 0.017 368 2HG LYS 45 HG1 LYS 45 70.881 0.451 0.079 369 1HD LYS 45 HD2 LYS 45 72.330 0.742 1.997 370 2HD LYS 45 HD1 LYS 45 73.131 -0.353 0.869 371 1HE LYS 45 HE2 LYS 45 73.801 2.399 0.236 372 2HE LYS 45 HE1 LYS 45 74.205 2.024 1.924 373 1HZ LYS 45 HZ2 LYS 45 74.997 -0.211 0.850 374 2HZ LYS 45 HZ1 LYS 45 75.164 0.751 -0.540 375 3HZ LYS 45 HZ3 LYS 45 76.020 1.145 0.870 376 H PHE 46 HN PHE 46 71.372 2.795 -3.737 377 HA PHE 46 HA PHE 46 69.606 4.415 -2.125 378 1HB PHE 46 HB2 PHE 46 70.538 4.721 -4.997 379 2HB PHE 46 HB1 PHE 46 69.913 6.011 -3.971 380 HD1 PHE 46 HD1 PHE 46 71.512 4.147 -1.635 381 HD2 PHE 46 HD2 PHE 46 72.481 6.521 -5.082 382 HE1 PHE 46 HE1 PHE 46 73.784 4.535 -0.727 383 HE2 PHE 46 HE2 PHE 46 74.751 6.908 -4.173 384 HZ PHE 46 HZ PHE 46 75.405 5.916 -1.994 385 H LYS 47 HN LYS 47 69.152 2.863 -5.356 386 HA LYS 47 HA LYS 47 66.277 3.545 -5.234 387 1HB LYS 47 HB2 LYS 47 66.351 3.156 -7.504 388 2HB LYS 47 HB1 LYS 47 68.086 3.320 -7.258 389 1HG LYS 47 HG2 LYS 47 66.639 0.661 -7.102 390 2HG LYS 47 HG1 LYS 47 67.379 1.276 -8.579 391 1HD LYS 47 HD2 LYS 47 69.396 1.626 -6.738 392 2HD LYS 47 HD1 LYS 47 68.652 0.122 -6.196 393 1HE LYS 47 HE2 LYS 47 69.596 0.683 -9.031 394 2HE LYS 47 HE1 LYS 47 70.399 -0.383 -7.861 395 1HZ LYS 47 HZ3 LYS 47 68.284 -1.613 -7.663 396 2HZ LYS 47 HZ2 LYS 47 67.635 -0.666 -8.917 397 3HZ LYS 47 HZ1 LYS 47 68.947 -1.702 -9.222 398 H GLU 48 HN GLU 48 68.389 0.884 -4.522 399 HA GLU 48 HA GLU 48 66.625 -1.347 -4.592 400 1HB GLU 48 HB2 GLU 48 68.951 -0.429 -2.902 401 2HB GLU 48 HB1 GLU 48 68.107 -1.914 -2.474 402 1HG GLU 48 HG2 GLU 48 69.092 -1.436 -5.280 403 2HG GLU 48 HG1 GLU 48 70.156 -2.099 -4.040 404 H ILE 49 HN ILE 49 67.123 1.300 -2.427 405 HA ILE 49 HA ILE 49 65.230 0.452 -0.365 406 HB ILE 49 HB ILE 49 66.799 2.930 -1.067 407 1HG1 ILE 49 HG12 ILE 49 67.000 1.334 1.457 408 2HG1 ILE 49 HG11 ILE 49 67.731 0.710 -0.022 409 1HG2 ILE 49 HG22 ILE 49 64.437 2.777 0.543 410 2HG2 ILE 49 HG21 ILE 49 65.820 3.108 1.587 411 3HG2 ILE 49 HG23 ILE 49 65.466 4.176 0.228 412 1HD1 ILE 49 HD13 ILE 49 68.538 3.364 0.004 413 2HD1 ILE 49 HD12 ILE 49 68.620 2.907 1.704 414 3HD1 ILE 49 HD11 ILE 49 69.526 1.991 0.500 415 H LYS 50 HN LYS 50 65.397 3.064 -2.753 416 HA LYS 50 HA LYS 50 62.818 4.169 -2.430 417 1HB LYS 50 HB2 LYS 50 64.667 5.081 -3.815 418 2HB LYS 50 HB1 LYS 50 64.440 3.769 -4.971 419 1HG LYS 50 HG2 LYS 50 62.816 4.938 -5.996 420 2HG LYS 50 HG1 LYS 50 61.896 4.988 -4.492 421 1HD LYS 50 HD2 LYS 50 62.261 7.268 -5.086 422 2HD LYS 50 HD1 LYS 50 63.415 6.927 -3.796 423 1HE LYS 50 HE2 LYS 50 65.242 6.804 -5.303 424 2HE LYS 50 HE1 LYS 50 64.176 6.611 -6.708 425 1HZ LYS 50 HZ3 LYS 50 64.156 9.001 -4.947 426 2HZ LYS 50 HZ2 LYS 50 65.041 8.917 -6.395 427 3HZ LYS 50 HZ1 LYS 50 63.346 8.806 -6.425 428 H GLU 51 HN GLU 51 63.848 1.524 -4.621 429 HA GLU 51 HA GLU 51 61.435 0.920 -5.899 430 1HB GLU 51 HB2 GLU 51 63.523 -0.196 -6.405 431 2HB GLU 51 HB1 GLU 51 63.625 -0.851 -4.770 432 1HG GLU 51 HG2 GLU 51 62.786 -2.672 -5.987 433 2HG GLU 51 HG1 GLU 51 61.320 -1.944 -5.330 434 H ALA 52 HN ALA 52 62.424 0.237 -2.584 435 HA ALA 52 HA ALA 52 60.644 -1.664 -1.658 436 1HB ALA 52 HB3 ALA 52 62.382 -0.250 -0.448 437 2HB ALA 52 HB2 ALA 52 61.145 1.000 -0.316 438 3HB ALA 52 HB1 ALA 52 60.904 -0.567 0.457 439 H TYR 53 HN TYR 53 59.855 1.541 -2.853 440 HA TYR 53 HA TYR 53 57.256 1.823 -1.699 441 1HB TYR 53 HB2 TYR 53 58.343 2.760 -4.374 442 2HB TYR 53 HB1 TYR 53 56.956 3.447 -3.534 443 HD1 TYR 53 HD1 TYR 53 58.314 3.025 -0.722 444 HD2 TYR 53 HD2 TYR 53 59.527 4.901 -4.385 445 HE1 TYR 53 HE1 TYR 53 59.814 4.532 0.544 446 HE2 TYR 53 HE2 TYR 53 61.024 6.409 -3.122 447 HH TYR 53 HH TYR 53 60.872 7.214 -0.301 448 H GLU 54 HN GLU 54 58.241 0.618 -4.909 449 HA GLU 54 HA GLU 54 55.781 -0.064 -6.031 450 1HB GLU 54 HB2 GLU 54 58.121 -1.980 -6.059 451 2HB GLU 54 HB1 GLU 54 57.009 -1.595 -7.373 452 1HG GLU 54 HG2 GLU 54 58.104 0.859 -6.776 453 2HG GLU 54 HG1 GLU 54 59.466 -0.236 -6.542 454 H VAL 55 HN VAL 55 57.490 -1.489 -3.380 455 HA VAL 55 HA VAL 55 55.708 -3.803 -3.255 456 HB VAL 55 HB VAL 55 58.349 -3.081 -2.519 457 1HG1 VAL 55 HG11 VAL 55 56.579 -3.756 -0.169 458 2HG1 VAL 55 HG13 VAL 55 58.320 -4.026 -0.160 459 3HG1 VAL 55 HG12 VAL 55 57.684 -2.392 -0.338 460 1HG2 VAL 55 HG23 VAL 55 56.627 -5.510 -2.508 461 2HG2 VAL 55 HG22 VAL 55 58.145 -5.209 -3.356 462 3HG2 VAL 55 HG21 VAL 55 58.156 -5.592 -1.633 463 H LEU 56 HN LEU 56 56.600 -1.076 -1.070 464 HA LEU 56 HA LEU 56 54.238 -1.713 0.580 465 1HB LEU 56 HB2 LEU 56 55.666 -1.069 2.168 466 2HB LEU 56 HB1 LEU 56 56.850 -0.691 0.929 467 HG LEU 56 HG LEU 56 56.501 1.219 2.374 468 1HD1 LEU 56 HD11 LEU 56 56.114 1.203 -0.450 469 2HD1 LEU 56 HD13 LEU 56 55.135 2.492 0.244 470 3HD1 LEU 56 HD12 LEU 56 56.872 2.446 0.541 471 1HD2 LEU 56 HD21 LEU 56 53.781 0.396 2.268 472 2HD2 LEU 56 HD23 LEU 56 54.485 1.691 3.237 473 3HD2 LEU 56 HD22 LEU 56 53.866 2.035 1.621 474 H THR 57 HN THR 57 54.988 0.673 -1.907 475 HA THR 57 HA THR 57 52.869 2.498 -0.941 476 HB THR 57 HB THR 57 53.454 3.728 -3.069 477 HG1 THR 57 HG1 THR 57 55.304 2.948 -4.164 478 1HG2 THR 57 HG22 THR 57 54.670 3.954 -0.792 479 2HG2 THR 57 HG21 THR 57 55.975 3.066 -1.568 480 3HG2 THR 57 HG23 THR 57 55.459 4.615 -2.222 481 H ASP 58 HN ASP 58 52.058 -0.232 -1.614 482 HA ASP 58 HA ASP 58 49.902 0.445 -3.511 483 1HB ASP 58 HB2 ASP 58 52.261 -0.861 -4.318 484 2HB ASP 58 HB1 ASP 58 51.053 -2.137 -4.164 485 H SER 59 HN SER 59 48.144 -0.130 -2.497 486 HA SER 59 HA SER 59 47.827 -1.467 -0.180 487 1HB SER 59 HB2 SER 59 46.223 -0.771 -2.458 488 2HB SER 59 HB1 SER 59 45.674 -2.316 -1.813 489 HG SER 59 HG SER 59 44.674 -0.556 -0.760 490 H GLN 60 HN GLN 60 48.004 -3.079 -3.356 491 HA GLN 60 HA GLN 60 47.640 -5.752 -2.261 492 1HB GLN 60 HB2 GLN 60 47.060 -5.023 -4.565 493 2HB GLN 60 HB1 GLN 60 48.771 -4.764 -4.899 494 1HG GLN 60 HG2 GLN 60 49.252 -7.027 -4.941 495 2HG GLN 60 HG1 GLN 60 47.925 -7.436 -3.852 496 1HE2 GLN 60 HE22 GLN 60 47.187 -7.065 -7.872 497 2HE2 GLN 60 HE21 GLN 60 48.625 -6.441 -7.222 498 H LYS 61 HN LYS 61 50.428 -3.740 -3.120 499 HA LYS 61 HA LYS 61 52.396 -5.862 -2.758 500 1HB LYS 61 HB2 LYS 61 52.685 -2.855 -2.819 501 2HB LYS 61 HB1 LYS 61 53.945 -4.039 -3.141 502 1HG LYS 61 HG2 LYS 61 51.405 -3.831 -4.754 503 2HG LYS 61 HG1 LYS 61 52.917 -3.041 -5.203 504 1HD LYS 61 HD2 LYS 61 53.789 -5.583 -4.725 505 2HD LYS 61 HD1 LYS 61 52.168 -5.900 -5.345 506 1HE LYS 61 HE2 LYS 61 53.374 -3.858 -6.968 507 2HE LYS 61 HE1 LYS 61 54.483 -5.238 -6.857 508 1HZ LYS 61 HZ2 LYS 61 51.590 -5.663 -7.250 509 2HZ LYS 61 HZ1 LYS 61 52.593 -5.333 -8.582 510 3HZ LYS 61 HZ3 LYS 61 52.882 -6.703 -7.623 511 H ARG 62 HN ARG 62 51.492 -2.992 -0.808 512 HA ARG 62 HA ARG 62 53.300 -3.682 1.331 513 1HB ARG 62 HB2 ARG 62 52.152 -1.865 2.476 514 2HB ARG 62 HB1 ARG 62 52.326 -1.425 0.778 515 1HG ARG 62 HG2 ARG 62 50.066 -1.824 0.304 516 2HG ARG 62 HG1 ARG 62 49.850 -2.857 1.714 517 1HD ARG 62 HD2 ARG 62 50.687 -0.312 2.681 518 2HD ARG 62 HD1 ARG 62 49.377 -0.035 1.516 519 HE ARG 62 HE ARG 62 47.924 -1.398 2.866 520 1HH1 ARG 62 HH21 ARG 62 48.789 -3.622 4.007 521 2HH1 ARG 62 HH22 ARG 62 49.457 -3.247 5.559 522 1HH2 ARG 62 HH11 ARG 62 49.809 0.135 4.887 523 2HH2 ARG 62 HH12 ARG 62 50.036 -1.121 6.058 524 H ALA 63 HN ALA 63 50.092 -4.684 0.476 525 HA ALA 63 HA ALA 63 49.508 -5.759 3.175 526 1HB ALA 63 HB3 ALA 63 47.822 -4.685 1.617 527 2HB ALA 63 HB2 ALA 63 48.028 -6.064 0.539 528 3HB ALA 63 HB1 ALA 63 47.367 -6.300 2.156 529 H ALA 64 HN ALA 64 50.782 -6.731 0.111 530 HA ALA 64 HA ALA 64 50.501 -9.626 0.662 531 1HB ALA 64 HB1 ALA 64 51.763 -8.008 -1.575 532 2HB ALA 64 HB3 ALA 64 51.535 -9.755 -1.602 533 3HB ALA 64 HB2 ALA 64 50.134 -8.684 -1.583 534 H TYR 65 HN TYR 65 53.138 -7.297 0.065 535 HA TYR 65 HA TYR 65 55.272 -9.108 0.691 536 1HB TYR 65 HB2 TYR 65 54.882 -6.134 0.464 537 2HB TYR 65 HB1 TYR 65 56.437 -6.778 1.001 538 HD1 TYR 65 HD1 TYR 65 53.942 -6.848 -1.764 539 HD2 TYR 65 HD2 TYR 65 57.929 -7.830 -0.523 540 HE1 TYR 65 HE1 TYR 65 54.545 -7.365 -4.113 541 HE2 TYR 65 HE2 TYR 65 58.538 -8.347 -2.871 542 HH TYR 65 HH TYR 65 56.967 -7.351 -5.436 543 H ASP 66 HN ASP 66 53.182 -7.123 2.702 544 HA ASP 66 HA ASP 66 54.682 -6.816 5.053 545 1HB ASP 66 HB2 ASP 66 52.426 -6.969 6.159 546 2HB ASP 66 HB1 ASP 66 52.427 -5.934 4.731 547 H GLN 67 HN GLN 67 53.158 -9.713 3.725 548 HA GLN 67 HA GLN 67 54.285 -11.299 6.013 549 1HB GLN 67 HB2 GLN 67 51.943 -11.877 4.166 550 2HB GLN 67 HB1 GLN 67 52.433 -12.853 5.552 551 1HG GLN 67 HG2 GLN 67 51.939 -11.033 7.082 552 2HG GLN 67 HG1 GLN 67 51.607 -9.943 5.736 553 1HE2 GLN 67 HE22 GLN 67 48.214 -10.850 5.836 554 2HE2 GLN 67 HE21 GLN 67 49.374 -9.616 5.719 555 H TYR 68 HN TYR 68 55.131 -10.424 3.047 556 HA TYR 68 HA TYR 68 56.344 -11.416 1.278 557 1HB TYR 68 HB2 TYR 68 57.083 -12.590 3.870 558 2HB TYR 68 HB1 TYR 68 57.505 -13.615 2.494 559 HD1 TYR 68 HD2 TYR 68 57.610 -9.990 3.485 560 HD2 TYR 68 HD1 TYR 68 59.547 -13.236 1.446 561 HE1 TYR 68 HE2 TYR 68 59.545 -8.522 2.984 562 HE2 TYR 68 HE1 TYR 68 61.481 -11.768 0.944 563 HH TYR 68 HH TYR 68 61.512 -8.353 1.978 564 H GLY 69 HN GLY 69 53.557 -12.252 1.508 565 1HA GLY 69 HA2 GLY 69 52.489 -13.806 -0.048 566 2HA GLY 69 HA1 GLY 69 53.810 -14.939 0.242 567 H HIS 70 HN HIS 70 51.287 -15.925 0.521 568 HA HIS 70 HA HIS 70 50.306 -15.680 3.256 569 1HB HIS 70 HB2 HIS 70 48.658 -17.258 2.494 570 2HB HIS 70 HB1 HIS 70 49.005 -16.201 1.123 571 HD1 HIS 70 HD1 HIS 70 48.507 -19.619 1.741 572 HD2 HIS 70 HD2 HIS 70 51.419 -17.534 -0.392 573 HE1 HIS 70 HE1 HIS 70 49.545 -21.279 0.134 574 H ALA 71 HN ALA 71 53.066 -17.061 2.151 575 HA ALA 71 HA ALA 71 52.958 -19.660 3.488 576 1HB ALA 71 HB1 ALA 71 54.348 -19.157 1.499 577 2HB ALA 71 HB3 ALA 71 55.254 -17.971 2.439 578 3HB ALA 71 HB2 ALA 71 55.349 -19.683 2.852 579 H ALA 72 HN ALA 72 54.123 -16.406 4.265 580 HA ALA 72 HA ALA 72 55.639 -17.030 6.602 581 1HB ALA 72 HB1 ALA 72 55.648 -14.877 5.387 582 2HB ALA 72 HB3 ALA 72 53.980 -14.591 5.881 583 3HB ALA 72 HB2 ALA 72 55.263 -14.628 7.091 584 H PHE 73 HN PHE 73 52.193 -16.871 6.041 585 HA PHE 73 HA PHE 73 51.722 -17.273 8.979 586 1HB PHE 73 HB2 PHE 73 50.386 -15.674 6.835 587 2HB PHE 73 HB1 PHE 73 49.357 -16.375 8.089 588 HD1 PHE 73 HD2 PHE 73 52.136 -14.037 7.408 589 HD2 PHE 73 HD1 PHE 73 49.507 -15.648 10.400 590 HE1 PHE 73 HE2 PHE 73 52.821 -12.243 8.977 591 HE2 PHE 73 HE1 PHE 73 50.195 -13.856 11.969 592 HZ PHE 73 HZ PHE 73 51.852 -12.154 11.257 593 H GLU 74 HN GLU 74 50.881 -18.244 5.681 594 HA GLU 74 HA GLU 74 49.953 -20.270 4.890 595 1HB GLU 74 HB2 GLU 74 50.212 -21.231 7.745 596 2HB GLU 74 HB1 GLU 74 50.352 -22.174 6.262 597 1HG GLU 74 HG2 GLU 74 52.290 -20.147 6.035 598 2HG GLU 74 HG1 GLU 74 52.410 -20.724 7.698 599 H GLN 75 HN GLN 75 48.319 -22.017 6.710 600 HA GLN 75 HA GLN 75 45.736 -20.978 6.220 601 1HB GLN 75 HB2 GLN 75 47.000 -23.212 7.483 602 2HB GLN 75 HB1 GLN 75 45.737 -22.621 8.565 603 1HG GLN 75 HG2 GLN 75 45.405 -23.367 5.646 604 2HG GLN 75 HG1 GLN 75 44.764 -24.247 7.035 605 1HE2 GLN 75 HE22 GLN 75 42.173 -21.829 7.674 606 2HE2 GLN 75 HE21 GLN 75 43.180 -22.957 8.447 607 H GLY 76 HN GLY 76 44.604 -19.355 7.213 608 1HA GLY 76 HA2 GLY 76 45.695 -18.240 9.747 609 2HA GLY 76 HA1 GLY 76 44.595 -17.399 8.653 610 H GLY 77 HN GLY 77 42.501 -19.034 8.320 611 1HA GLY 77 HA2 GLY 77 41.283 -20.669 9.995 612 2HA GLY 77 HA1 GLY 77 41.422 -19.285 11.080 No H/Q in entry = 612 Start of MODEL 2 1 1H ALA 1 HT3 ALA 1 64.162 -14.784 4.181 2 2H ALA 1 HT2 ALA 1 63.421 -14.584 5.696 3 3H ALA 1 HT1 ALA 1 62.529 -15.191 4.384 4 HA ALA 1 HA ALA 1 61.817 -13.078 4.144 5 1HB ALA 1 HB2 ALA 1 63.252 -12.850 6.384 6 2HB ALA 1 HB1 ALA 1 64.311 -11.916 5.326 7 3HB ALA 1 HB3 ALA 1 62.634 -11.422 5.552 8 H LYS 2 HN LYS 2 65.355 -13.392 3.702 9 HA LYS 2 HA LYS 2 66.706 -12.867 1.836 10 1HB LYS 2 HB2 LYS 2 64.194 -13.888 0.961 11 2HB LYS 2 HB1 LYS 2 64.625 -12.566 -0.125 12 1HG LYS 2 HG2 LYS 2 66.364 -13.715 -1.025 13 2HG LYS 2 HG1 LYS 2 66.880 -14.333 0.544 14 1HD LYS 2 HD2 LYS 2 66.091 -16.328 -0.189 15 2HD LYS 2 HD1 LYS 2 64.496 -15.658 0.157 16 1HE LYS 2 HE2 LYS 2 64.045 -15.214 -2.082 17 2HE LYS 2 HE1 LYS 2 65.762 -15.040 -2.495 18 1HZ LYS 2 HZ2 LYS 2 65.131 -17.620 -1.408 19 2HZ LYS 2 HZ1 LYS 2 64.277 -17.300 -2.841 20 3HZ LYS 2 HZ3 LYS 2 65.970 -17.223 -2.831 21 H GLN 3 HN GLN 3 66.749 -10.687 3.122 22 HA GLN 3 HA GLN 3 66.902 -8.332 2.928 23 1HB GLN 3 HB2 GLN 3 67.204 -9.381 0.432 24 2HB GLN 3 HB1 GLN 3 65.781 -8.370 0.182 25 1HG GLN 3 HG2 GLN 3 67.323 -6.720 -0.138 26 2HG GLN 3 HG1 GLN 3 67.342 -6.672 1.626 27 1HE2 GLN 3 HE22 GLN 3 70.299 -9.079 1.380 28 2HE2 GLN 3 HE21 GLN 3 68.685 -9.343 1.833 29 H ASP 4 HN ASP 4 65.464 -6.613 3.349 30 HA ASP 4 HA ASP 4 62.569 -7.092 2.756 31 1HB ASP 4 HB2 ASP 4 62.548 -5.814 5.196 32 2HB ASP 4 HB1 ASP 4 62.366 -7.549 4.978 33 H TYR 5 HN TYR 5 62.329 -5.552 1.261 34 HA TYR 5 HA TYR 5 63.486 -3.058 0.984 35 1HB TYR 5 HB2 TYR 5 60.845 -2.563 0.320 36 2HB TYR 5 HB1 TYR 5 62.076 -3.251 -0.735 37 HD1 TYR 5 HD1 TYR 5 59.356 -4.107 1.626 38 HD2 TYR 5 HD2 TYR 5 62.038 -5.487 -1.419 39 HE1 TYR 5 HE1 TYR 5 58.084 -6.239 1.481 40 HE2 TYR 5 HE2 TYR 5 60.769 -7.621 -1.581 41 HH TYR 5 HH TYR 5 59.200 -8.957 0.196 42 H TYR 6 HN TYR 6 60.549 -3.720 2.936 43 HA TYR 6 HA TYR 6 60.142 -1.129 3.950 44 1HB TYR 6 HB2 TYR 6 59.767 -3.919 5.010 45 2HB TYR 6 HB1 TYR 6 59.371 -2.526 6.022 46 HD1 TYR 6 HD1 TYR 6 57.935 -0.649 4.869 47 HD2 TYR 6 HD2 TYR 6 58.154 -4.715 3.505 48 HE1 TYR 6 HE1 TYR 6 55.775 -0.365 3.686 49 HE2 TYR 6 HE2 TYR 6 55.998 -4.431 2.319 50 HH TYR 6 HH TYR 6 54.029 -1.573 2.743 51 H GLU 7 HN GLU 7 62.553 -3.550 4.718 52 HA GLU 7 HA GLU 7 63.698 -1.910 6.905 53 1HB GLU 7 HB2 GLU 7 63.814 -4.664 5.895 54 2HB GLU 7 HB1 GLU 7 65.403 -4.031 6.324 55 1HG GLU 7 HG2 GLU 7 64.245 -5.133 8.249 56 2HG GLU 7 HG1 GLU 7 64.616 -3.434 8.550 57 H ILE 8 HN ILE 8 64.153 -2.675 3.504 58 HA ILE 8 HA ILE 8 66.812 -1.943 3.078 59 HB ILE 8 HB ILE 8 64.317 -1.587 1.445 60 1HG1 ILE 8 HG12 ILE 8 66.709 -3.475 1.397 61 2HG1 ILE 8 HG11 ILE 8 65.047 -3.897 1.804 62 1HG2 ILE 8 HG22 ILE 8 66.059 0.130 0.839 63 2HG2 ILE 8 HG21 ILE 8 67.180 -1.192 0.518 64 3HG2 ILE 8 HG23 ILE 8 65.721 -1.018 -0.456 65 1HD1 ILE 8 HD12 ILE 8 65.441 -2.621 -0.850 66 2HD1 ILE 8 HD11 ILE 8 66.097 -4.247 -0.671 67 3HD1 ILE 8 HD13 ILE 8 64.383 -3.952 -0.387 68 H LEU 9 HN LEU 9 63.926 0.102 3.294 69 HA LEU 9 HA LEU 9 65.451 2.617 2.968 70 1HB LEU 9 HB2 LEU 9 62.638 2.282 3.987 71 2HB LEU 9 HB1 LEU 9 63.301 3.606 3.038 72 HG LEU 9 HG LEU 9 63.684 1.271 1.503 73 1HD1 LEU 9 HD13 LEU 9 61.729 0.621 3.268 74 2HD1 LEU 9 HD12 LEU 9 60.764 1.406 2.019 75 3HD1 LEU 9 HD11 LEU 9 61.771 0.016 1.612 76 1HD2 LEU 9 HD21 LEU 9 62.507 3.879 1.351 77 2HD2 LEU 9 HD23 LEU 9 63.028 2.843 0.026 78 3HD2 LEU 9 HD22 LEU 9 61.381 2.725 0.640 79 H GLY 10 HN GLY 10 64.633 0.448 5.494 80 1HA GLY 10 HA2 GLY 10 65.607 0.647 7.706 81 2HA GLY 10 HA1 GLY 10 65.628 2.402 7.499 82 H VAL 11 HN VAL 11 62.780 0.756 6.435 83 HA VAL 11 HA VAL 11 61.319 1.899 8.792 84 HB VAL 11 HB VAL 11 59.557 1.028 6.734 85 1HG1 VAL 11 HG11 VAL 11 60.493 3.728 7.690 86 2HG1 VAL 11 HG13 VAL 11 59.182 3.522 6.529 87 3HG1 VAL 11 HG12 VAL 11 59.030 2.860 8.157 88 1HG2 VAL 11 HG23 VAL 11 61.993 2.454 5.706 89 2HG2 VAL 11 HG22 VAL 11 61.167 1.052 5.028 90 3HG2 VAL 11 HG21 VAL 11 60.426 2.642 4.929 91 H SER 12 HN SER 12 59.270 0.628 9.311 92 HA SER 12 HA SER 12 59.960 -2.211 9.671 93 1HB SER 12 HB2 SER 12 58.306 -0.171 10.918 94 2HB SER 12 HB1 SER 12 57.404 -1.664 10.676 95 HG SER 12 HG SER 12 58.517 -1.715 12.648 96 H LYS 13 HN LYS 13 58.577 -3.918 8.830 97 HA LYS 13 HA LYS 13 57.611 -3.466 6.218 98 1HB LYS 13 HB2 LYS 13 56.054 -5.566 7.085 99 2HB LYS 13 HB1 LYS 13 57.653 -5.703 6.381 100 1HG LYS 13 HG2 LYS 13 57.441 -6.960 8.517 101 2HG LYS 13 HG1 LYS 13 58.669 -5.702 8.609 102 1HD LYS 13 HD2 LYS 13 56.383 -4.368 9.391 103 2HD LYS 13 HD1 LYS 13 56.142 -5.967 10.084 104 1HE LYS 13 HE2 LYS 13 58.805 -5.480 10.654 105 2HE LYS 13 HE1 LYS 13 58.058 -3.883 10.863 106 1HZ LYS 13 HZ2 LYS 13 56.632 -6.237 11.873 107 2HZ LYS 13 HZ1 LYS 13 57.954 -5.663 12.772 108 3HZ LYS 13 HZ3 LYS 13 56.635 -4.643 12.461 109 H THR 14 HN THR 14 56.298 -2.558 9.211 110 HA THR 14 HA THR 14 53.578 -2.140 8.097 111 HB THR 14 HB THR 14 52.901 -2.223 10.306 112 HG1 THR 14 HG1 THR 14 55.402 -1.192 11.132 113 1HG2 THR 14 HG23 THR 14 54.501 -4.196 9.818 114 2HG2 THR 14 HG22 THR 14 55.651 -3.343 10.848 115 3HG2 THR 14 HG21 THR 14 54.103 -3.872 11.506 116 H ALA 15 HN ALA 15 56.407 -0.561 7.854 117 HA ALA 15 HA ALA 15 56.186 2.018 8.887 118 1HB ALA 15 HB3 ALA 15 57.230 0.898 6.291 119 2HB ALA 15 HB2 ALA 15 57.557 2.542 6.829 120 3HB ALA 15 HB1 ALA 15 58.120 1.177 7.784 121 H GLU 16 HN GLU 16 56.210 3.497 6.382 122 HA GLU 16 HA GLU 16 53.579 3.363 5.139 123 1HB GLU 16 HB2 GLU 16 54.165 4.971 7.527 124 2HB GLU 16 HB1 GLU 16 53.493 5.925 6.201 125 1HG GLU 16 HG2 GLU 16 52.286 3.358 7.262 126 2HG GLU 16 HG1 GLU 16 51.735 4.976 7.686 127 H GLU 17 HN GLU 17 53.784 4.275 3.142 128 HA GLU 17 HA GLU 17 56.040 5.051 1.835 129 1HB GLU 17 HB2 GLU 17 54.477 6.501 0.443 130 2HB GLU 17 HB1 GLU 17 53.943 4.841 0.705 131 1HG GLU 17 HG2 GLU 17 52.893 6.157 2.896 132 2HG GLU 17 HG1 GLU 17 52.734 7.357 1.614 133 H ARG 18 HN ARG 18 54.359 7.079 4.193 134 HA ARG 18 HA ARG 18 55.825 9.496 3.416 135 1HB ARG 18 HB2 ARG 18 54.724 10.333 5.567 136 2HB ARG 18 HB1 ARG 18 53.614 9.723 4.339 137 1HG ARG 18 HG2 ARG 18 53.121 7.805 5.534 138 2HG ARG 18 HG1 ARG 18 54.679 7.792 6.358 139 1HD ARG 18 HD2 ARG 18 53.018 10.157 6.971 140 2HD ARG 18 HD1 ARG 18 52.353 8.615 7.545 141 HE ARG 18 HE ARG 18 55.234 9.075 8.039 142 1HH1 ARG 18 HH21 ARG 18 53.886 6.996 9.571 143 2HH1 ARG 18 HH22 ARG 18 53.484 7.782 11.062 144 1HH2 ARG 18 HH11 ARG 18 53.899 10.982 9.794 145 2HH2 ARG 18 HH12 ARG 18 53.489 10.039 11.187 146 H GLU 19 HN GLU 19 56.215 6.933 5.772 147 HA GLU 19 HA GLU 19 58.580 8.291 6.936 148 1HB GLU 19 HB2 GLU 19 58.367 5.963 8.290 149 2HB GLU 19 HB1 GLU 19 57.458 7.393 8.751 150 1HG GLU 19 HG2 GLU 19 55.504 6.592 7.570 151 2HG GLU 19 HG1 GLU 19 56.417 5.251 6.883 152 H ILE 20 HN ILE 20 57.536 5.966 4.653 153 HA ILE 20 HA ILE 20 59.936 4.320 4.571 154 HB ILE 20 HB ILE 20 57.722 4.947 2.593 155 1HG1 ILE 20 HG12 ILE 20 57.175 3.810 4.839 156 2HG1 ILE 20 HG11 ILE 20 56.617 2.995 3.388 157 1HG2 ILE 20 HG23 ILE 20 60.171 3.812 2.031 158 2HG2 ILE 20 HG22 ILE 20 59.144 2.408 2.282 159 3HG2 ILE 20 HG21 ILE 20 58.708 3.611 1.074 160 1HD1 ILE 20 HD13 ILE 20 59.081 1.864 3.671 161 2HD1 ILE 20 HD12 ILE 20 58.663 2.169 5.351 162 3HD1 ILE 20 HD11 ILE 20 57.607 1.182 4.350 163 H ARG 21 HN ARG 21 58.569 6.867 2.490 164 HA ARG 21 HA ARG 21 60.840 7.398 0.873 165 1HB ARG 21 HB2 ARG 21 59.741 9.658 0.695 166 2HB ARG 21 HB1 ARG 21 58.573 8.344 0.535 167 1HG ARG 21 HG2 ARG 21 57.516 9.757 2.072 168 2HG ARG 21 HG1 ARG 21 58.322 8.597 3.127 169 1HD ARG 21 HD2 ARG 21 59.521 10.263 4.079 170 2HD ARG 21 HD1 ARG 21 60.149 10.748 2.491 171 HE ARG 21 HE ARG 21 57.668 11.796 3.754 172 1HH1 ARG 21 HH11 ARG 21 58.578 11.205 0.632 173 2HH1 ARG 21 HH12 ARG 21 58.601 12.857 0.112 174 1HH2 ARG 21 HH21 ARG 21 58.242 14.149 3.310 175 2HH2 ARG 21 HH22 ARG 21 58.412 14.524 1.628 176 H LYS 22 HN LYS 22 60.006 8.112 4.156 177 HA LYS 22 HA LYS 22 62.060 10.091 4.699 178 1HB LYS 22 HB2 LYS 22 59.710 9.429 5.789 179 2HB LYS 22 HB1 LYS 22 60.732 8.384 6.778 180 1HG LYS 22 HG2 LYS 22 61.337 11.321 6.371 181 2HG LYS 22 HG1 LYS 22 60.324 10.737 7.692 182 1HD LYS 22 HD2 LYS 22 62.943 9.374 7.301 183 2HD LYS 22 HD1 LYS 22 62.984 11.010 7.950 184 1HE LYS 22 HE2 LYS 22 60.890 9.689 9.323 185 2HE LYS 22 HE1 LYS 22 62.265 8.567 9.305 186 1HZ LYS 22 HZ1 LYS 22 63.683 10.525 9.904 187 2HZ LYS 22 HZ3 LYS 22 62.259 11.400 10.190 188 3HZ LYS 22 HZ2 LYS 22 62.613 10.026 11.125 189 H ALA 23 HN ALA 23 61.627 6.619 5.448 190 HA ALA 23 HA ALA 23 63.943 6.120 6.943 191 1HB ALA 23 HB3 ALA 23 61.880 4.692 5.883 192 2HB ALA 23 HB2 ALA 23 63.206 4.142 4.861 193 3HB ALA 23 HB1 ALA 23 63.302 3.942 6.610 194 H TYR 24 HN TYR 24 63.560 6.281 3.417 195 HA TYR 24 HA TYR 24 66.340 5.673 2.824 196 1HB TYR 24 HB2 TYR 24 64.372 5.285 1.323 197 2HB TYR 24 HB1 TYR 24 64.121 7.022 1.234 198 HD1 TYR 24 HD1 TYR 24 67.537 5.689 1.415 199 HD2 TYR 24 HD2 TYR 24 64.411 7.021 -1.215 200 HE1 TYR 24 HE1 TYR 24 69.170 5.862 -0.440 201 HE2 TYR 24 HE2 TYR 24 66.047 7.192 -3.070 202 HH TYR 24 HH TYR 24 69.456 6.946 -2.544 203 H LYS 25 HN LYS 25 64.267 8.523 2.997 204 HA LYS 25 HA LYS 25 66.018 10.601 2.316 205 1HB LYS 25 HB2 LYS 25 63.533 10.097 3.632 206 2HB LYS 25 HB1 LYS 25 64.418 11.285 4.583 207 1HG LYS 25 HG2 LYS 25 63.963 12.885 3.064 208 2HG LYS 25 HG1 LYS 25 64.677 11.905 1.781 209 1HD LYS 25 HD2 LYS 25 62.650 10.986 1.161 210 2HD LYS 25 HD1 LYS 25 61.971 11.130 2.783 211 1HE LYS 25 HE2 LYS 25 60.832 12.788 1.474 212 2HE LYS 25 HE1 LYS 25 62.054 13.691 2.390 213 1HZ LYS 25 HZ2 LYS 25 62.731 12.500 -0.220 214 2HZ LYS 25 HZ1 LYS 25 61.944 14.006 -0.155 215 3HZ LYS 25 HZ3 LYS 25 63.461 13.810 0.578 216 H ARG 26 HN ARG 26 65.568 8.986 5.465 217 HA ARG 26 HA ARG 26 67.288 10.567 7.049 218 1HB ARG 26 HB2 ARG 26 66.318 7.726 7.041 219 2HB ARG 26 HB1 ARG 26 67.507 8.223 8.245 220 1HG ARG 26 HG2 ARG 26 65.667 10.293 8.298 221 2HG ARG 26 HG1 ARG 26 64.655 8.867 8.070 222 1HD ARG 26 HD2 ARG 26 65.110 9.433 10.503 223 2HD ARG 26 HD1 ARG 26 65.626 7.799 10.041 224 HE ARG 26 HE ARG 26 67.917 8.561 10.029 225 1HH1 ARG 26 HH11 ARG 26 67.758 11.274 8.982 226 2HH1 ARG 26 HH12 ARG 26 67.981 12.268 10.383 227 1HH2 ARG 26 HH21 ARG 26 67.276 9.723 12.628 228 2HH2 ARG 26 HH22 ARG 26 67.711 11.390 12.446 229 H LEU 27 HN LEU 27 68.079 7.488 5.391 230 HA LEU 27 HA LEU 27 70.939 7.790 5.912 231 1HB LEU 27 HB2 LEU 27 71.055 5.632 4.939 232 2HB LEU 27 HB1 LEU 27 69.468 5.664 5.708 233 HG LEU 27 HG LEU 27 68.763 6.614 3.311 234 1HD1 LEU 27 HD12 LEU 27 71.411 6.083 2.840 235 2HD1 LEU 27 HD11 LEU 27 70.650 4.586 2.303 236 3HD1 LEU 27 HD13 LEU 27 70.168 6.125 1.590 237 1HD2 LEU 27 HD21 LEU 27 67.894 4.588 4.490 238 2HD2 LEU 27 HD23 LEU 27 68.065 4.341 2.752 239 3HD2 LEU 27 HD22 LEU 27 69.264 3.673 3.860 240 H ALA 28 HN ALA 28 68.700 8.408 3.306 241 HA ALA 28 HA ALA 28 70.689 8.797 1.239 242 1HB ALA 28 HB1 ALA 28 68.276 8.118 0.995 243 2HB ALA 28 HB3 ALA 28 67.821 9.752 1.478 244 3HB ALA 28 HB2 ALA 28 68.721 9.492 -0.017 245 H MET 29 HN MET 29 68.790 10.983 3.354 246 HA MET 29 HA MET 29 69.858 13.417 2.251 247 1HB MET 29 HB2 MET 29 68.889 14.419 4.192 248 2HB MET 29 HB1 MET 29 67.884 13.004 3.887 249 1HG MET 29 HG2 MET 29 69.461 11.757 5.495 250 2HG MET 29 HG1 MET 29 70.036 13.352 5.975 251 1HE MET 29 HE2 MET 29 68.979 15.055 6.804 252 2HE MET 29 HE1 MET 29 67.307 15.325 6.321 253 3HE MET 29 HE3 MET 29 67.696 14.966 8.008 254 H LYS 30 HN LYS 30 71.037 10.990 4.435 255 HA LYS 30 HA LYS 30 73.395 12.570 5.271 256 1HB LYS 30 HB2 LYS 30 71.998 10.055 5.976 257 2HB LYS 30 HB1 LYS 30 73.754 9.988 6.131 258 1HG LYS 30 HG2 LYS 30 73.753 11.347 7.939 259 2HG LYS 30 HG1 LYS 30 72.609 12.467 7.198 260 1HD LYS 30 HD2 LYS 30 70.935 11.616 8.437 261 2HD LYS 30 HD1 LYS 30 71.250 10.005 7.789 262 1HE LYS 30 HE2 LYS 30 72.352 9.345 9.672 263 2HE LYS 30 HE1 LYS 30 73.221 10.887 9.806 264 1HZ LYS 30 HZ2 LYS 30 71.088 11.911 10.493 265 2HZ LYS 30 HZ1 LYS 30 70.390 10.363 10.545 266 3HZ LYS 30 HZ3 LYS 30 71.660 10.755 11.598 267 H TYR 31 HN TYR 31 72.433 10.352 2.790 268 HA TYR 31 HA TYR 31 75.279 9.751 2.119 269 1HB TYR 31 HB2 TYR 31 72.625 8.459 1.704 270 2HB TYR 31 HB1 TYR 31 73.855 8.195 0.468 271 HD1 TYR 31 HD2 TYR 31 75.044 8.910 3.819 272 HD2 TYR 31 HD1 TYR 31 73.833 5.755 1.168 273 HE1 TYR 31 HE2 TYR 31 76.164 7.256 5.282 274 HE2 TYR 31 HE1 TYR 31 74.953 4.100 2.631 275 HH TYR 31 HH TYR 31 77.201 4.777 4.797 276 H HIS 32 HN HIS 32 73.200 12.055 1.475 277 HA HIS 32 HA HIS 32 72.910 12.386 -1.295 278 1HB HIS 32 HB2 HIS 32 72.510 14.643 -0.570 279 2HB HIS 32 HB1 HIS 32 72.031 13.590 0.748 280 HD1 HIS 32 HD1 HIS 32 74.713 12.921 2.072 281 HD2 HIS 32 HD2 HIS 32 73.713 16.757 0.781 282 HE1 HIS 32 HE1 HIS 32 76.141 14.528 3.407 283 HA PRO 33 HA PRO 33 76.811 13.680 -2.868 284 1HB PRO 33 HB2 PRO 33 77.277 16.386 -2.788 285 2HB PRO 33 HB1 PRO 33 76.210 15.603 -3.971 286 1HG PRO 33 HG2 PRO 33 75.515 17.021 -1.449 287 2HG PRO 33 HG1 PRO 33 74.709 17.062 -3.025 288 1HD PRO 33 HD2 PRO 33 73.793 15.651 -0.960 289 2HD PRO 33 HD1 PRO 33 73.561 15.122 -2.634 290 H ASP 34 HN ASP 34 76.999 12.744 -0.401 291 HA ASP 34 HA ASP 34 79.098 14.352 1.006 292 1HB ASP 34 HB2 ASP 34 77.811 13.891 2.840 293 2HB ASP 34 HB1 ASP 34 76.679 13.013 1.820 294 H ARG 35 HN ARG 35 78.045 11.131 -0.019 295 HA ARG 35 HA ARG 35 80.883 10.316 -0.416 296 1HB ARG 35 HB2 ARG 35 80.303 8.175 0.736 297 2HB ARG 35 HB1 ARG 35 80.143 9.568 1.808 298 1HG ARG 35 HG2 ARG 35 78.139 8.380 2.171 299 2HG ARG 35 HG1 ARG 35 77.669 9.620 1.009 300 1HD ARG 35 HD2 ARG 35 77.004 8.006 -0.412 301 2HD ARG 35 HD1 ARG 35 78.669 7.391 -0.468 302 HE ARG 35 HE ARG 35 76.582 6.482 1.466 303 1HH1 ARG 35 HH11 ARG 35 78.902 5.524 -0.741 304 2HH1 ARG 35 HH12 ARG 35 79.612 4.301 0.259 305 1HH2 ARG 35 HH21 ARG 35 77.836 5.205 3.093 306 2HH2 ARG 35 HH22 ARG 35 79.007 4.118 2.425 307 H ASN 36 HN ASN 36 77.426 9.929 -1.130 308 HA ASN 36 HA ASN 36 77.268 7.741 -2.791 309 1HB ASN 36 HB2 ASN 36 75.961 10.271 -2.400 310 2HB ASN 36 HB1 ASN 36 76.006 9.909 -4.124 311 1HD2 ASN 36 HD22 ASN 36 73.228 8.083 -2.024 312 2HD2 ASN 36 HD21 ASN 36 73.939 9.579 -1.654 313 H GLN 37 HN GLN 37 79.009 10.722 -3.393 314 HA GLN 37 HA GLN 37 79.353 10.737 -6.152 315 1HB GLN 37 HB2 GLN 37 81.516 11.127 -4.058 316 2HB GLN 37 HB1 GLN 37 81.445 11.881 -5.651 317 1HG GLN 37 HG2 GLN 37 79.017 12.601 -4.642 318 2HG GLN 37 HG1 GLN 37 79.992 12.576 -3.172 319 1HE2 GLN 37 HE22 GLN 37 81.245 15.122 -6.162 320 2HE2 GLN 37 HE21 GLN 37 80.584 13.618 -6.587 321 H GLY 38 HN GLY 38 80.500 8.379 -3.843 322 1HA GLY 38 HA2 GLY 38 82.205 7.117 -5.947 323 2HA GLY 38 HA1 GLY 38 82.336 6.790 -4.217 324 H ASP 39 HN ASP 39 79.264 7.004 -5.917 325 HA ASP 39 HA ASP 39 78.333 4.491 -4.874 326 1HB ASP 39 HB2 ASP 39 76.434 4.989 -6.448 327 2HB ASP 39 HB1 ASP 39 76.872 6.359 -5.431 328 H LYS 40 HN LYS 40 80.598 3.568 -5.894 329 HA LYS 40 HA LYS 40 80.306 2.701 -8.706 330 1HB LYS 40 HB2 LYS 40 82.421 3.434 -7.387 331 2HB LYS 40 HB1 LYS 40 82.373 1.804 -6.712 332 1HG LYS 40 HG2 LYS 40 82.340 0.886 -9.035 333 2HG LYS 40 HG1 LYS 40 82.520 2.528 -9.653 334 1HD LYS 40 HD2 LYS 40 84.742 1.971 -9.570 335 2HD LYS 40 HD1 LYS 40 84.558 2.516 -7.903 336 1HE LYS 40 HE2 LYS 40 83.811 -0.030 -7.538 337 2HE LYS 40 HE1 LYS 40 84.849 -0.267 -8.958 338 1HZ LYS 40 HZ1 LYS 40 86.490 1.224 -7.770 339 2HZ LYS 40 HZ3 LYS 40 85.554 0.998 -6.374 340 3HZ LYS 40 HZ2 LYS 40 86.295 -0.335 -7.122 341 H GLU 41 HN GLU 41 78.482 1.751 -6.418 342 HA GLU 41 HA GLU 41 77.979 -0.895 -7.238 343 1HB GLU 41 HB2 GLU 41 79.112 -1.967 -5.101 344 2HB GLU 41 HB1 GLU 41 80.076 -1.670 -6.546 345 1HG GLU 41 HG2 GLU 41 81.391 -0.212 -5.449 346 2HG GLU 41 HG1 GLU 41 80.003 0.700 -4.870 347 H ALA 42 HN ALA 42 78.461 0.667 -4.032 348 HA ALA 42 HA ALA 42 76.085 -0.329 -2.833 349 1HB ALA 42 HB2 ALA 42 78.113 0.890 -1.822 350 2HB ALA 42 HB1 ALA 42 77.352 2.387 -2.363 351 3HB ALA 42 HB3 ALA 42 76.537 1.358 -1.184 352 H GLU 43 HN GLU 43 76.630 2.021 -5.297 353 HA GLU 43 HA GLU 43 74.657 3.932 -5.210 354 1HB GLU 43 HB2 GLU 43 76.173 3.306 -7.139 355 2HB GLU 43 HB1 GLU 43 75.029 2.021 -7.524 356 1HG GLU 43 HG2 GLU 43 73.355 3.491 -8.156 357 2HG GLU 43 HG1 GLU 43 73.996 4.810 -7.175 358 H ALA 44 HN ALA 44 74.159 0.556 -6.171 359 HA ALA 44 HA ALA 44 71.445 0.768 -6.765 360 1HB ALA 44 HB2 ALA 44 73.448 -1.212 -6.569 361 2HB ALA 44 HB1 ALA 44 72.095 -1.799 -5.605 362 3HB ALA 44 HB3 ALA 44 71.856 -1.391 -7.303 363 H LYS 45 HN LYS 45 72.781 -0.607 -3.725 364 HA LYS 45 HA LYS 45 70.450 -0.929 -2.272 365 1HB LYS 45 HB2 LYS 45 72.596 -1.470 -1.333 366 2HB LYS 45 HB1 LYS 45 73.131 0.213 -1.439 367 1HG LYS 45 HG2 LYS 45 71.595 0.906 0.259 368 2HG LYS 45 HG1 LYS 45 70.728 -0.630 0.197 369 1HD LYS 45 HD2 LYS 45 73.652 -0.668 0.849 370 2HD LYS 45 HD1 LYS 45 72.515 -0.171 2.104 371 1HE LYS 45 HE2 LYS 45 72.177 -2.382 2.507 372 2HE LYS 45 HE1 LYS 45 71.348 -2.453 0.938 373 1HZ LYS 45 HZ3 LYS 45 73.901 -2.404 0.171 374 2HZ LYS 45 HZ2 LYS 45 74.052 -3.251 1.635 375 3HZ LYS 45 HZ1 LYS 45 73.030 -3.838 0.412 376 H PHE 46 HN PHE 46 71.991 2.097 -3.189 377 HA PHE 46 HA PHE 46 70.471 3.812 -1.428 378 1HB PHE 46 HB2 PHE 46 71.753 4.444 -4.103 379 2HB PHE 46 HB1 PHE 46 71.446 5.568 -2.782 380 HD1 PHE 46 HD2 PHE 46 72.220 3.106 -0.771 381 HD2 PHE 46 HD1 PHE 46 74.163 5.241 -3.953 382 HE1 PHE 46 HE2 PHE 46 74.431 2.562 0.214 383 HE2 PHE 46 HE1 PHE 46 76.373 4.697 -2.968 384 HZ PHE 46 HZ PHE 46 76.508 3.359 -0.885 385 H LYS 47 HN LYS 47 70.099 3.012 -4.940 386 HA LYS 47 HA LYS 47 67.450 4.349 -4.903 387 1HB LYS 47 HB2 LYS 47 67.836 4.516 -7.148 388 2HB LYS 47 HB1 LYS 47 69.468 3.977 -6.772 389 1HG LYS 47 HG2 LYS 47 67.172 2.109 -7.430 390 2HG LYS 47 HG1 LYS 47 68.378 2.650 -8.599 391 1HD LYS 47 HD2 LYS 47 69.956 1.797 -6.522 392 2HD LYS 47 HD1 LYS 47 68.616 0.654 -6.449 393 1HE LYS 47 HE2 LYS 47 70.141 1.295 -8.999 394 2HE LYS 47 HE1 LYS 47 70.428 -0.139 -7.992 395 1HZ LYS 47 HZ3 LYS 47 67.955 -0.523 -8.154 396 2HZ LYS 47 HZ2 LYS 47 67.938 0.630 -9.401 397 3HZ LYS 47 HZ1 LYS 47 68.839 -0.799 -9.576 398 H GLU 48 HN GLU 48 68.786 1.289 -4.316 399 HA GLU 48 HA GLU 48 66.714 -0.500 -5.162 400 1HB GLU 48 HB2 GLU 48 68.868 -0.387 -3.053 401 2HB GLU 48 HB1 GLU 48 67.731 -1.728 -3.052 402 1HG GLU 48 HG2 GLU 48 69.176 -0.937 -5.572 403 2HG GLU 48 HG1 GLU 48 69.948 -1.991 -4.387 404 H ILE 49 HN ILE 49 67.304 1.571 -2.460 405 HA ILE 49 HA ILE 49 65.194 0.797 -0.687 406 HB ILE 49 HB ILE 49 66.592 3.410 -1.282 407 1HG1 ILE 49 HG12 ILE 49 67.137 1.744 1.126 408 2HG1 ILE 49 HG11 ILE 49 67.744 1.159 -0.422 409 1HG2 ILE 49 HG23 ILE 49 64.891 2.610 1.073 410 2HG2 ILE 49 HG22 ILE 49 65.915 4.042 1.031 411 3HG2 ILE 49 HG21 ILE 49 64.556 3.896 -0.083 412 1HD1 ILE 49 HD13 ILE 49 68.667 3.560 -0.731 413 2HD1 ILE 49 HD12 ILE 49 68.418 3.726 1.007 414 3HD1 ILE 49 HD11 ILE 49 69.512 2.489 0.385 415 H LYS 50 HN LYS 50 65.449 3.414 -3.064 416 HA LYS 50 HA LYS 50 62.862 4.485 -2.957 417 1HB LYS 50 HB2 LYS 50 64.854 5.211 -4.336 418 2HB LYS 50 HB1 LYS 50 64.482 3.904 -5.459 419 1HG LYS 50 HG2 LYS 50 62.066 4.993 -5.419 420 2HG LYS 50 HG1 LYS 50 62.963 6.429 -4.919 421 1HD LYS 50 HD2 LYS 50 64.489 5.431 -7.009 422 2HD LYS 50 HD1 LYS 50 62.835 5.140 -7.546 423 1HE LYS 50 HE2 LYS 50 62.263 7.445 -7.402 424 2HE LYS 50 HE1 LYS 50 63.699 7.820 -6.428 425 1HZ LYS 50 HZ2 LYS 50 64.105 6.521 -9.017 426 2HZ LYS 50 HZ1 LYS 50 63.685 8.168 -9.030 427 3HZ LYS 50 HZ3 LYS 50 65.079 7.655 -8.211 428 H GLU 51 HN GLU 51 63.980 1.592 -4.718 429 HA GLU 51 HA GLU 51 61.696 0.906 -6.170 430 1HB GLU 51 HB2 GLU 51 63.877 -0.305 -6.105 431 2HB GLU 51 HB1 GLU 51 63.465 -0.912 -4.500 432 1HG GLU 51 HG2 GLU 51 62.053 -2.479 -5.324 433 2HG GLU 51 HG1 GLU 51 61.358 -1.360 -6.498 434 H ALA 52 HN ALA 52 62.282 0.586 -2.689 435 HA ALA 52 HA ALA 52 60.366 -1.057 -1.666 436 1HB ALA 52 HB2 ALA 52 61.905 0.558 -0.496 437 2HB ALA 52 HB1 ALA 52 60.733 1.831 -0.836 438 3HB ALA 52 HB3 ALA 52 60.288 0.480 0.205 439 H TYR 53 HN TYR 53 59.675 2.020 -3.296 440 HA TYR 53 HA TYR 53 56.926 2.287 -2.629 441 1HB TYR 53 HB2 TYR 53 58.345 2.921 -5.238 442 2HB TYR 53 HB1 TYR 53 56.906 3.730 -4.597 443 HD1 TYR 53 HD1 TYR 53 57.747 3.592 -1.670 444 HD2 TYR 53 HD2 TYR 53 59.841 4.868 -5.185 445 HE1 TYR 53 HE1 TYR 53 59.185 5.019 -0.266 446 HE2 TYR 53 HE2 TYR 53 61.287 6.309 -3.782 447 HH TYR 53 HH TYR 53 62.051 6.310 -1.310 448 H GLU 54 HN GLU 54 58.525 -0.098 -4.461 449 HA GLU 54 HA GLU 54 56.199 -0.966 -6.039 450 1HB GLU 54 HB2 GLU 54 57.773 -2.778 -6.616 451 2HB GLU 54 HB1 GLU 54 58.594 -1.218 -6.722 452 1HG GLU 54 HG2 GLU 54 60.123 -2.006 -5.273 453 2HG GLU 54 HG1 GLU 54 58.863 -2.016 -4.044 454 H VAL 55 HN VAL 55 56.604 -0.857 -2.856 455 HA VAL 55 HA VAL 55 55.298 -3.480 -2.371 456 HB VAL 55 HB VAL 55 58.001 -2.738 -1.897 457 1HG1 VAL 55 HG13 VAL 55 56.365 -3.009 0.624 458 2HG1 VAL 55 HG12 VAL 55 58.116 -3.199 0.564 459 3HG1 VAL 55 HG11 VAL 55 57.384 -1.650 0.153 460 1HG2 VAL 55 HG22 VAL 55 56.682 -5.010 -2.294 461 2HG2 VAL 55 HG21 VAL 55 58.256 -4.988 -1.499 462 3HG2 VAL 55 HG23 VAL 55 56.785 -5.095 -0.534 463 H LEU 56 HN LEU 56 56.353 -0.392 -0.861 464 HA LEU 56 HA LEU 56 54.149 -0.579 1.102 465 1HB LEU 56 HB2 LEU 56 55.223 1.538 1.926 466 2HB LEU 56 HB1 LEU 56 56.320 0.155 1.832 467 HG LEU 56 HG LEU 56 56.353 1.420 -0.711 468 1HD1 LEU 56 HD11 LEU 56 56.595 3.311 1.634 469 2HD1 LEU 56 HD13 LEU 56 57.205 3.676 0.027 470 3HD1 LEU 56 HD12 LEU 56 55.479 3.438 0.280 471 1HD2 LEU 56 HD22 LEU 56 58.222 1.015 1.607 472 2HD2 LEU 56 HD21 LEU 56 58.281 0.296 0.004 473 3HD2 LEU 56 HD23 LEU 56 58.746 1.981 0.227 474 H THR 57 HN THR 57 54.588 0.967 -2.002 475 HA THR 57 HA THR 57 52.420 2.911 -1.337 476 HB THR 57 HB THR 57 53.228 4.173 -3.189 477 HG1 THR 57 HG1 THR 57 55.099 2.883 -4.328 478 1HG2 THR 57 HG22 THR 57 55.450 2.838 -1.641 479 2HG2 THR 57 HG21 THR 57 55.779 4.109 -2.817 480 3HG2 THR 57 HG23 THR 57 54.768 4.447 -1.414 481 H ASP 58 HN ASP 58 51.886 -0.015 -1.908 482 HA ASP 58 HA ASP 58 49.771 0.449 -3.921 483 1HB ASP 58 HB2 ASP 58 52.285 -0.797 -4.501 484 2HB ASP 58 HB1 ASP 58 51.017 -2.019 -4.602 485 H SER 59 HN SER 59 48.017 -0.303 -3.062 486 HA SER 59 HA SER 59 47.655 -1.648 -0.750 487 1HB SER 59 HB2 SER 59 45.699 -0.938 -1.757 488 2HB SER 59 HB1 SER 59 46.190 -1.532 -3.341 489 HG SER 59 HG SER 59 44.767 -3.025 -2.761 490 H GLN 60 HN GLN 60 48.109 -3.283 -3.899 491 HA GLN 60 HA GLN 60 47.990 -5.956 -2.800 492 1HB GLN 60 HB2 GLN 60 49.077 -6.497 -5.027 493 2HB GLN 60 HB1 GLN 60 47.609 -5.529 -5.152 494 1HG GLN 60 HG2 GLN 60 48.813 -3.544 -5.599 495 2HG GLN 60 HG1 GLN 60 50.325 -4.226 -5.000 496 1HE2 GLN 60 HE22 GLN 60 50.906 -6.143 -8.010 497 2HE2 GLN 60 HE21 GLN 60 51.129 -6.213 -6.329 498 H LYS 61 HN LYS 61 50.533 -3.601 -3.274 499 HA LYS 61 HA LYS 61 52.765 -5.380 -2.643 500 1HB LYS 61 HB2 LYS 61 52.163 -2.581 -3.341 501 2HB LYS 61 HB1 LYS 61 53.612 -2.817 -2.416 502 1HG LYS 61 HG2 LYS 61 54.077 -2.929 -4.836 503 2HG LYS 61 HG1 LYS 61 54.437 -4.454 -4.028 504 1HD LYS 61 HD2 LYS 61 51.967 -5.067 -4.648 505 2HD LYS 61 HD1 LYS 61 52.138 -3.780 -5.841 506 1HE LYS 61 HE2 LYS 61 54.491 -5.465 -5.889 507 2HE LYS 61 HE1 LYS 61 53.030 -6.447 -6.106 508 1HZ LYS 61 HZ1 LYS 61 52.348 -4.415 -7.593 509 2HZ LYS 61 HZ3 LYS 61 54.027 -4.219 -7.732 510 3HZ LYS 61 HZ2 LYS 61 53.299 -5.673 -8.224 511 H ARG 62 HN ARG 62 51.083 -2.724 -0.908 512 HA ARG 62 HA ARG 62 52.507 -3.192 1.587 513 1HB ARG 62 HB2 ARG 62 50.850 -1.599 2.441 514 2HB ARG 62 HB1 ARG 62 51.382 -1.062 0.842 515 1HG ARG 62 HG2 ARG 62 49.436 -2.004 -0.203 516 2HG ARG 62 HG1 ARG 62 48.947 -2.793 1.294 517 1HD ARG 62 HD2 ARG 62 47.704 -0.612 0.770 518 2HD ARG 62 HD1 ARG 62 48.495 -0.655 2.358 519 HE ARG 62 HE ARG 62 49.911 0.503 -0.008 520 1HH1 ARG 62 HH21 ARG 62 51.254 0.413 2.656 521 2HH1 ARG 62 HH22 ARG 62 50.929 1.992 3.287 522 1HH2 ARG 62 HH11 ARG 62 48.369 2.650 1.040 523 2HH2 ARG 62 HH12 ARG 62 49.293 3.260 2.371 524 H ALA 63 HN ALA 63 50.079 -4.827 -0.081 525 HA ALA 63 HA ALA 63 48.713 -5.962 2.284 526 1HB ALA 63 HB1 ALA 63 48.538 -6.289 -0.728 527 2HB ALA 63 HB3 ALA 63 47.624 -7.321 0.371 528 3HB ALA 63 HB2 ALA 63 47.335 -5.581 0.351 529 H ALA 64 HN ALA 64 51.131 -6.638 -0.130 530 HA ALA 64 HA ALA 64 51.565 -9.443 0.491 531 1HB ALA 64 HB1 ALA 64 52.214 -8.031 -1.580 532 2HB ALA 64 HB3 ALA 64 53.523 -7.387 -0.589 533 3HB ALA 64 HB2 ALA 64 53.464 -9.111 -0.959 534 H TYR 65 HN TYR 65 52.659 -6.319 1.564 535 HA TYR 65 HA TYR 65 54.850 -6.813 3.210 536 1HB TYR 65 HB2 TYR 65 54.239 -4.585 3.137 537 2HB TYR 65 HB1 TYR 65 52.546 -4.980 2.968 538 HD1 TYR 65 HD2 TYR 65 54.865 -6.016 5.709 539 HD2 TYR 65 HD1 TYR 65 51.482 -3.623 4.578 540 HE1 TYR 65 HE2 TYR 65 54.441 -5.488 8.093 541 HE2 TYR 65 HE1 TYR 65 51.058 -3.096 6.964 542 HH TYR 65 HH TYR 65 51.710 -3.404 9.057 543 H ASP 66 HN ASP 66 51.418 -6.850 4.213 544 HA ASP 66 HA ASP 66 51.635 -7.828 6.803 545 1HB ASP 66 HB2 ASP 66 49.363 -8.154 6.590 546 2HB ASP 66 HB1 ASP 66 49.632 -7.260 5.098 547 H GLN 67 HN GLN 67 52.356 -9.587 3.867 548 HA GLN 67 HA GLN 67 52.362 -12.194 5.292 549 1HB GLN 67 HB2 GLN 67 52.378 -11.189 2.482 550 2HB GLN 67 HB1 GLN 67 53.159 -12.742 2.775 551 1HG GLN 67 HG2 GLN 67 51.143 -13.650 3.749 552 2HG GLN 67 HG1 GLN 67 50.355 -12.074 3.707 553 1HE2 GLN 67 HE22 GLN 67 51.128 -13.450 -0.068 554 2HE2 GLN 67 HE21 GLN 67 52.391 -13.286 1.054 555 H TYR 68 HN TYR 68 54.440 -9.632 4.937 556 HA TYR 68 HA TYR 68 56.778 -9.408 5.194 557 1HB TYR 68 HB2 TYR 68 55.998 -12.050 6.383 558 2HB TYR 68 HB1 TYR 68 57.711 -11.614 6.314 559 HD1 TYR 68 HD2 TYR 68 54.435 -9.967 7.147 560 HD2 TYR 68 HD1 TYR 68 58.568 -10.521 8.181 561 HE1 TYR 68 HE2 TYR 68 54.133 -8.512 9.132 562 HE2 TYR 68 HE1 TYR 68 58.265 -9.064 10.167 563 HH TYR 68 HH TYR 68 56.195 -8.413 11.664 564 H GLY 69 HN GLY 69 55.592 -10.641 2.669 565 1HA GLY 69 HA2 GLY 69 56.826 -11.089 0.643 566 2HA GLY 69 HA1 GLY 69 58.159 -11.703 1.624 567 H HIS 70 HN HIS 70 56.528 -12.956 -0.622 568 HA HIS 70 HA HIS 70 54.797 -14.977 0.265 569 1HB HIS 70 HB2 HIS 70 55.411 -16.071 -1.814 570 2HB HIS 70 HB1 HIS 70 55.463 -14.328 -2.089 571 HD1 HIS 70 HD1 HIS 70 57.479 -13.691 -3.382 572 HD2 HIS 70 HD2 HIS 70 58.269 -16.888 -0.826 573 HE1 HIS 70 HE1 HIS 70 59.922 -14.276 -3.701 574 H ALA 71 HN ALA 71 58.215 -14.652 0.786 575 HA ALA 71 HA ALA 71 59.185 -17.231 1.118 576 1HB ALA 71 HB1 ALA 71 60.064 -14.749 1.640 577 2HB ALA 71 HB3 ALA 71 59.688 -15.243 3.291 578 3HB ALA 71 HB2 ALA 71 60.844 -16.171 2.335 579 H ALA 72 HN ALA 72 57.198 -15.379 3.441 580 HA ALA 72 HA ALA 72 57.151 -17.240 5.573 581 1HB ALA 72 HB2 ALA 72 55.555 -14.986 4.537 582 2HB ALA 72 HB1 ALA 72 54.636 -16.112 5.536 583 3HB ALA 72 HB3 ALA 72 56.072 -15.325 6.188 584 H PHE 73 HN PHE 73 55.786 -17.456 2.405 585 HA PHE 73 HA PHE 73 53.938 -19.656 3.225 586 1HB PHE 73 HB2 PHE 73 54.177 -17.677 1.014 587 2HB PHE 73 HB1 PHE 73 53.502 -19.251 0.582 588 HD1 PHE 73 HD2 PHE 73 53.107 -18.101 4.019 589 HD2 PHE 73 HD1 PHE 73 51.314 -18.132 0.116 590 HE1 PHE 73 HE2 PHE 73 50.930 -17.446 5.013 591 HE2 PHE 73 HE1 PHE 73 49.138 -17.476 1.110 592 HZ PHE 73 HZ PHE 73 48.947 -17.133 3.558 593 H GLU 74 HN GLU 74 56.688 -18.932 1.085 594 HA GLU 74 HA GLU 74 57.377 -21.821 1.041 595 1HB GLU 74 HB2 GLU 74 57.081 -20.194 -1.498 596 2HB GLU 74 HB1 GLU 74 57.288 -21.941 -1.355 597 1HG GLU 74 HG2 GLU 74 55.088 -22.023 -0.128 598 2HG GLU 74 HG1 GLU 74 54.872 -20.315 -0.515 599 H GLN 75 HN GLN 75 59.433 -21.547 1.913 600 HA GLN 75 HA GLN 75 61.164 -19.364 0.843 601 1HB GLN 75 HB2 GLN 75 60.812 -20.854 3.351 602 2HB GLN 75 HB1 GLN 75 62.504 -20.665 2.889 603 1HG GLN 75 HG2 GLN 75 62.068 -18.210 2.557 604 2HG GLN 75 HG1 GLN 75 60.455 -18.459 3.229 605 1HE2 GLN 75 HE22 GLN 75 63.624 -18.177 5.723 606 2HE2 GLN 75 HE21 GLN 75 63.779 -17.951 4.048 607 H GLY 76 HN GLY 76 63.480 -19.982 0.404 608 1HA GLY 76 HA2 GLY 76 63.622 -22.724 -0.784 609 2HA GLY 76 HA1 GLY 76 64.461 -21.324 -1.455 610 H GLY 77 HN GLY 77 64.675 -20.969 1.813 611 1HA GLY 77 HA2 GLY 77 66.386 -22.718 2.978 612 2HA GLY 77 HA1 GLY 77 67.457 -21.933 1.817 No H/Q in entry = 612 Start of MODEL 3 1 1H ALA 1 HT3 ALA 1 68.158 -11.434 8.109 2 2H ALA 1 HT2 ALA 1 66.989 -10.264 8.494 3 3H ALA 1 HT1 ALA 1 66.595 -11.916 8.555 4 HA ALA 1 HA ALA 1 66.552 -12.137 6.246 5 1HB ALA 1 HB1 ALA 1 64.753 -10.757 7.379 6 2HB ALA 1 HB3 ALA 1 65.623 -9.316 6.853 7 3HB ALA 1 HB2 ALA 1 64.949 -10.423 5.658 8 H LYS 2 HN LYS 2 66.425 -9.800 4.474 9 HA LYS 2 HA LYS 2 68.965 -8.414 4.444 10 1HB LYS 2 HB2 LYS 2 69.791 -9.763 2.408 11 2HB LYS 2 HB1 LYS 2 69.912 -10.551 3.982 12 1HG LYS 2 HG2 LYS 2 67.863 -11.795 3.575 13 2HG LYS 2 HG1 LYS 2 67.591 -10.923 2.066 14 1HD LYS 2 HD2 LYS 2 70.195 -11.938 1.843 15 2HD LYS 2 HD1 LYS 2 69.261 -13.250 2.562 16 1HE LYS 2 HE2 LYS 2 68.423 -11.722 0.070 17 2HE LYS 2 HE1 LYS 2 69.189 -13.324 0.066 18 1HZ LYS 2 HZ2 LYS 2 67.413 -14.083 1.578 19 2HZ LYS 2 HZ1 LYS 2 66.640 -12.580 1.402 20 3HZ LYS 2 HZ3 LYS 2 66.814 -13.605 0.063 21 H GLN 3 HN GLN 3 68.595 -6.620 3.198 22 HA GLN 3 HA GLN 3 67.585 -5.194 1.606 23 1HB GLN 3 HB2 GLN 3 67.938 -7.883 0.404 24 2HB GLN 3 HB1 GLN 3 66.823 -6.817 -0.452 25 1HG GLN 3 HG2 GLN 3 69.074 -5.244 0.286 26 2HG GLN 3 HG1 GLN 3 69.694 -6.737 -0.420 27 1HE2 GLN 3 HE22 GLN 3 67.032 -4.783 -2.860 28 2HE2 GLN 3 HE21 GLN 3 66.617 -5.086 -1.242 29 H ASP 4 HN ASP 4 65.843 -5.494 3.575 30 HA ASP 4 HA ASP 4 63.273 -6.472 2.381 31 1HB ASP 4 HB2 ASP 4 63.044 -5.793 5.158 32 2HB ASP 4 HB1 ASP 4 62.923 -7.386 4.421 33 H TYR 5 HN TYR 5 62.672 -4.762 1.235 34 HA TYR 5 HA TYR 5 62.777 -2.082 1.465 35 1HB TYR 5 HB2 TYR 5 60.000 -2.659 1.115 36 2HB TYR 5 HB1 TYR 5 61.204 -2.261 -0.094 37 HD1 TYR 5 HD2 TYR 5 59.998 -5.147 1.938 38 HD2 TYR 5 HD1 TYR 5 61.850 -3.799 -1.687 39 HE1 TYR 5 HE2 TYR 5 59.968 -7.472 1.063 40 HE2 TYR 5 HE1 TYR 5 61.834 -6.121 -2.566 41 HH TYR 5 HH TYR 5 61.719 -8.656 -1.044 42 H TYR 6 HN TYR 6 59.993 -3.668 3.143 43 HA TYR 6 HA TYR 6 59.254 -1.451 4.681 44 1HB TYR 6 HB2 TYR 6 59.274 -4.402 5.393 45 2HB TYR 6 HB1 TYR 6 58.307 -3.172 6.215 46 HD1 TYR 6 HD2 TYR 6 56.565 -1.906 4.975 47 HD2 TYR 6 HD1 TYR 6 58.663 -5.204 3.205 48 HE1 TYR 6 HE2 TYR 6 54.857 -2.026 3.182 49 HE2 TYR 6 HE1 TYR 6 56.965 -5.317 1.404 50 HH TYR 6 HH TYR 6 55.023 -4.542 0.666 51 H GLU 7 HN GLU 7 62.010 -3.549 4.999 52 HA GLU 7 HA GLU 7 62.808 -2.376 7.611 53 1HB GLU 7 HB2 GLU 7 63.081 -4.825 6.975 54 2HB GLU 7 HB1 GLU 7 64.261 -4.311 5.770 55 1HG GLU 7 HG2 GLU 7 65.625 -4.801 7.602 56 2HG GLU 7 HG1 GLU 7 65.383 -3.064 7.778 57 H ILE 8 HN ILE 8 63.477 -2.277 4.172 58 HA ILE 8 HA ILE 8 65.911 -0.953 3.990 59 HB ILE 8 HB ILE 8 63.334 -0.737 2.438 60 1HG1 ILE 8 HG12 ILE 8 64.714 -2.878 2.471 61 2HG1 ILE 8 HG11 ILE 8 64.513 -2.178 0.868 62 1HG2 ILE 8 HG21 ILE 8 65.473 1.112 2.360 63 2HG2 ILE 8 HG23 ILE 8 65.627 0.098 0.927 64 3HG2 ILE 8 HG22 ILE 8 64.123 0.967 1.234 65 1HD1 ILE 8 HD11 ILE 8 66.867 -1.245 2.415 66 2HD1 ILE 8 HD13 ILE 8 66.916 -2.917 1.854 67 3HD1 ILE 8 HD12 ILE 8 66.718 -1.603 0.694 68 H LEU 9 HN LEU 9 62.718 0.548 4.015 69 HA LEU 9 HA LEU 9 63.862 3.184 4.782 70 1HB LEU 9 HB2 LEU 9 61.030 2.272 4.210 71 2HB LEU 9 HB1 LEU 9 61.618 3.939 4.213 72 HG LEU 9 HG LEU 9 63.325 2.418 2.518 73 1HD1 LEU 9 HD13 LEU 9 60.628 1.416 2.543 74 2HD1 LEU 9 HD12 LEU 9 60.944 2.194 0.991 75 3HD1 LEU 9 HD11 LEU 9 61.989 0.889 1.553 76 1HD2 LEU 9 HD22 LEU 9 62.538 4.895 2.515 77 2HD2 LEU 9 HD21 LEU 9 62.789 4.107 0.957 78 3HD2 LEU 9 HD23 LEU 9 61.156 4.302 1.594 79 H GLY 10 HN GLY 10 63.806 0.879 6.766 80 1HA GLY 10 HA2 GLY 10 63.051 0.455 8.969 81 2HA GLY 10 HA1 GLY 10 63.083 2.218 9.122 82 H VAL 11 HN VAL 11 61.137 0.668 6.725 83 HA VAL 11 HA VAL 11 58.673 1.847 7.831 84 HB VAL 11 HB VAL 11 59.616 0.478 5.321 85 1HG1 VAL 11 HG12 VAL 11 56.998 0.119 6.248 86 2HG1 VAL 11 HG11 VAL 11 56.891 1.430 5.079 87 3HG1 VAL 11 HG13 VAL 11 57.578 -0.119 4.606 88 1HG2 VAL 11 HG21 VAL 11 59.874 2.974 5.889 89 2HG2 VAL 11 HG23 VAL 11 59.216 2.550 4.312 90 3HG2 VAL 11 HG22 VAL 11 58.136 3.072 5.600 91 H SER 12 HN SER 12 57.673 0.578 9.438 92 HA SER 12 HA SER 12 57.885 -2.152 9.923 93 1HB SER 12 HB2 SER 12 55.336 -0.510 9.886 94 2HB SER 12 HB1 SER 12 55.620 -1.956 10.851 95 HG SER 12 HG SER 12 56.009 -0.181 12.136 96 H LYS 13 HN LYS 13 56.968 -4.038 8.907 97 HA LYS 13 HA LYS 13 56.747 -4.149 6.174 98 1HB LYS 13 HB2 LYS 13 55.401 -6.174 6.528 99 2HB LYS 13 HB1 LYS 13 56.734 -6.069 7.679 100 1HG LYS 13 HG2 LYS 13 54.540 -4.678 8.833 101 2HG LYS 13 HG1 LYS 13 53.912 -6.211 8.227 102 1HD LYS 13 HD2 LYS 13 55.308 -7.481 9.595 103 2HD LYS 13 HD1 LYS 13 56.491 -6.183 9.761 104 1HE LYS 13 HE2 LYS 13 54.638 -4.892 11.021 105 2HE LYS 13 HE1 LYS 13 53.819 -6.463 11.145 106 1HZ LYS 13 HZ2 LYS 13 56.233 -7.227 11.792 107 2HZ LYS 13 HZ1 LYS 13 56.379 -5.608 12.289 108 3HZ LYS 13 HZ3 LYS 13 55.174 -6.594 12.960 109 H THR 14 HN THR 14 54.428 -2.763 8.346 110 HA THR 14 HA THR 14 52.635 -2.250 6.012 111 HB THR 14 HB THR 14 50.793 -2.567 7.470 112 HG1 THR 14 HG1 THR 14 51.214 -2.760 9.776 113 1HG2 THR 14 HG23 THR 14 52.569 -4.576 7.090 114 2HG2 THR 14 HG22 THR 14 52.543 -4.526 8.853 115 3HG2 THR 14 HG21 THR 14 51.047 -4.789 7.957 116 H ALA 15 HN ALA 15 54.995 -0.621 7.225 117 HA ALA 15 HA ALA 15 54.006 1.608 8.685 118 1HB ALA 15 HB3 ALA 15 56.376 0.747 7.793 119 2HB ALA 15 HB2 ALA 15 56.074 2.012 6.608 120 3HB ALA 15 HB1 ALA 15 56.116 2.402 8.326 121 H GLU 16 HN GLU 16 55.015 3.556 6.594 122 HA GLU 16 HA GLU 16 52.795 3.595 4.651 123 1HB GLU 16 HB2 GLU 16 52.913 5.042 7.138 124 2HB GLU 16 HB1 GLU 16 52.990 6.195 5.800 125 1HG GLU 16 HG2 GLU 16 50.936 5.479 4.909 126 2HG GLU 16 HG1 GLU 16 50.984 3.951 5.789 127 H GLU 17 HN GLU 17 53.307 6.349 3.978 128 HA GLU 17 HA GLU 17 55.783 5.989 2.419 129 1HB GLU 17 HB2 GLU 17 54.930 7.893 1.178 130 2HB GLU 17 HB1 GLU 17 53.593 6.784 1.487 131 1HG GLU 17 HG2 GLU 17 53.224 8.216 3.636 132 2HG GLU 17 HG1 GLU 17 54.190 9.427 2.789 133 H ARG 18 HN ARG 18 54.687 7.860 5.192 134 HA ARG 18 HA ARG 18 56.611 9.973 5.088 135 1HB ARG 18 HB2 ARG 18 56.097 10.014 7.599 136 2HB ARG 18 HB1 ARG 18 54.699 10.115 6.528 137 1HG ARG 18 HG2 ARG 18 53.857 8.191 7.335 138 2HG ARG 18 HG1 ARG 18 55.382 7.351 7.049 139 1HD ARG 18 HD2 ARG 18 54.823 7.321 9.460 140 2HD ARG 18 HD1 ARG 18 56.272 8.309 9.185 141 HE ARG 18 HE ARG 18 53.696 9.749 9.074 142 1HH1 ARG 18 HH11 ARG 18 56.872 9.912 10.032 143 2HH1 ARG 18 HH12 ARG 18 56.579 10.704 11.543 144 1HH2 ARG 18 HH21 ARG 18 53.135 10.310 11.383 145 2HH2 ARG 18 HH22 ARG 18 54.461 10.934 12.307 146 H GLU 19 HN GLU 19 56.891 6.651 6.190 147 HA GLU 19 HA GLU 19 59.536 7.113 7.388 148 1HB GLU 19 HB2 GLU 19 59.295 4.466 7.432 149 2HB GLU 19 HB1 GLU 19 58.440 5.456 8.602 150 1HG GLU 19 HG2 GLU 19 57.084 4.848 6.006 151 2HG GLU 19 HG1 GLU 19 57.201 3.561 7.203 152 H ILE 20 HN ILE 20 58.006 6.228 4.455 153 HA ILE 20 HA ILE 20 60.220 4.856 3.179 154 HB ILE 20 HB ILE 20 57.625 6.190 2.381 155 1HG1 ILE 20 HG12 ILE 20 57.585 3.958 3.486 156 2HG1 ILE 20 HG11 ILE 20 56.969 3.894 1.835 157 1HG2 ILE 20 HG23 ILE 20 59.864 5.878 0.677 158 2HG2 ILE 20 HG22 ILE 20 58.720 4.610 0.243 159 3HG2 ILE 20 HG21 ILE 20 58.214 6.298 0.219 160 1HD1 ILE 20 HD12 ILE 20 59.798 3.213 2.662 161 2HD1 ILE 20 HD11 ILE 20 58.546 2.037 2.296 162 3HD1 ILE 20 HD13 ILE 20 59.144 3.106 1.030 163 H ARG 21 HN ARG 21 58.800 8.109 2.954 164 HA ARG 21 HA ARG 21 60.973 9.183 1.345 165 1HB ARG 21 HB2 ARG 21 59.689 11.196 1.518 166 2HB ARG 21 HB1 ARG 21 58.489 9.904 1.555 167 1HG ARG 21 HG2 ARG 21 57.823 11.241 3.357 168 2HG ARG 21 HG1 ARG 21 58.825 10.026 4.153 169 1HD ARG 21 HD2 ARG 21 60.020 11.768 4.997 170 2HD ARG 21 HD1 ARG 21 60.648 11.999 3.354 171 HE ARG 21 HE ARG 21 58.026 13.181 3.616 172 1HH1 ARG 21 HH21 ARG 21 61.295 13.778 3.185 173 2HH1 ARG 21 HH22 ARG 21 61.258 15.410 3.764 174 1HH2 ARG 21 HH11 ARG 21 57.987 15.214 4.896 175 2HH2 ARG 21 HH12 ARG 21 59.385 16.222 4.734 176 H LYS 22 HN LYS 22 60.510 8.498 4.656 177 HA LYS 22 HA LYS 22 62.387 10.540 5.638 178 1HB LYS 22 HB2 LYS 22 60.429 10.049 6.949 179 2HB LYS 22 HB1 LYS 22 60.740 8.316 6.863 180 1HG LYS 22 HG2 LYS 22 61.415 9.535 9.045 181 2HG LYS 22 HG1 LYS 22 62.603 8.455 8.317 182 1HD LYS 22 HD2 LYS 22 63.716 10.528 8.920 183 2HD LYS 22 HD1 LYS 22 63.621 10.437 7.163 184 1HE LYS 22 HE2 LYS 22 62.238 12.252 7.033 185 2HE LYS 22 HE1 LYS 22 61.284 11.734 8.437 186 1HZ LYS 22 HZ3 LYS 22 63.549 12.234 9.653 187 2HZ LYS 22 HZ2 LYS 22 63.757 13.301 8.347 188 3HZ LYS 22 HZ1 LYS 22 62.413 13.461 9.374 189 H ALA 23 HN ALA 23 62.188 6.972 5.823 190 HA ALA 23 HA ALA 23 64.859 6.625 6.794 191 1HB ALA 23 HB2 ALA 23 62.900 4.785 5.408 192 2HB ALA 23 HB1 ALA 23 64.359 4.241 6.236 193 3HB ALA 23 HB3 ALA 23 63.072 5.032 7.147 194 H TYR 24 HN TYR 24 63.699 7.108 3.521 195 HA TYR 24 HA TYR 24 66.107 5.864 2.354 196 1HB TYR 24 HB2 TYR 24 63.948 5.633 1.229 197 2HB TYR 24 HB1 TYR 24 63.713 7.377 1.239 198 HD1 TYR 24 HD2 TYR 24 67.053 5.975 0.675 199 HD2 TYR 24 HD1 TYR 24 63.496 7.462 -1.220 200 HE1 TYR 24 HE2 TYR 24 68.280 6.176 -1.469 201 HE2 TYR 24 HE1 TYR 24 64.725 7.666 -3.365 202 HH TYR 24 HH TYR 24 66.712 7.532 -4.364 203 H LYS 25 HN LYS 25 64.532 9.007 2.621 204 HA LYS 25 HA LYS 25 66.717 10.552 1.567 205 1HB LYS 25 HB2 LYS 25 64.895 11.854 1.438 206 2HB LYS 25 HB1 LYS 25 64.029 10.780 2.513 207 1HG LYS 25 HG2 LYS 25 65.989 12.662 3.753 208 2HG LYS 25 HG1 LYS 25 64.469 13.328 3.160 209 1HD LYS 25 HD2 LYS 25 63.169 11.971 4.581 210 2HD LYS 25 HD1 LYS 25 64.503 10.859 4.877 211 1HE LYS 25 HE2 LYS 25 64.273 12.230 6.863 212 2HE LYS 25 HE1 LYS 25 65.720 12.803 6.010 213 1HZ LYS 25 HZ2 LYS 25 63.889 14.218 4.756 214 2HZ LYS 25 HZ1 LYS 25 63.089 14.054 6.247 215 3HZ LYS 25 HZ3 LYS 25 64.624 14.772 6.184 216 H ARG 26 HN ARG 26 66.059 9.166 4.687 217 HA ARG 26 HA ARG 26 67.644 11.001 6.276 218 1HB ARG 26 HB2 ARG 26 66.478 8.249 6.526 219 2HB ARG 26 HB1 ARG 26 67.660 8.777 7.725 220 1HG ARG 26 HG2 ARG 26 65.592 10.776 7.087 221 2HG ARG 26 HG1 ARG 26 64.983 9.310 7.854 222 1HD ARG 26 HD2 ARG 26 67.455 10.462 9.046 223 2HD ARG 26 HD1 ARG 26 65.955 11.378 9.299 224 HE ARG 26 HE ARG 26 65.079 8.897 9.869 225 1HH1 ARG 26 HH11 ARG 26 67.547 7.571 10.356 226 2HH1 ARG 26 HH12 ARG 26 67.970 7.986 11.983 227 1HH2 ARG 26 HH21 ARG 26 65.814 10.696 12.135 228 2HH2 ARG 26 HH22 ARG 26 66.987 9.753 12.992 229 H LEU 27 HN LEU 27 68.286 7.744 4.949 230 HA LEU 27 HA LEU 27 71.144 7.858 5.571 231 1HB LEU 27 HB2 LEU 27 71.117 5.640 4.690 232 2HB LEU 27 HB1 LEU 27 69.539 5.836 5.451 233 HG LEU 27 HG LEU 27 68.922 6.726 2.999 234 1HD1 LEU 27 HD12 LEU 27 71.260 4.841 2.662 235 2HD1 LEU 27 HD11 LEU 27 70.072 5.115 1.388 236 3HD1 LEU 27 HD13 LEU 27 71.061 6.452 1.973 237 1HD2 LEU 27 HD22 LEU 27 68.543 4.360 4.513 238 2HD2 LEU 27 HD21 LEU 27 67.559 4.939 3.169 239 3HD2 LEU 27 HD23 LEU 27 68.910 3.847 2.865 240 H ALA 28 HN ALA 28 69.026 8.530 2.897 241 HA ALA 28 HA ALA 28 71.042 8.604 0.825 242 1HB ALA 28 HB1 ALA 28 68.241 9.708 1.150 243 2HB ALA 28 HB3 ALA 28 69.106 9.664 -0.384 244 3HB ALA 28 HB2 ALA 28 68.677 8.161 0.433 245 H MET 29 HN MET 29 69.447 11.062 2.884 246 HA MET 29 HA MET 29 70.792 13.317 1.683 247 1HB MET 29 HB2 MET 29 69.966 14.504 3.607 248 2HB MET 29 HB1 MET 29 68.757 13.272 3.255 249 1HG MET 29 HG2 MET 29 68.987 12.714 5.444 250 2HG MET 29 HG1 MET 29 70.470 11.916 4.920 251 1HE MET 29 HE1 MET 29 68.762 14.326 6.969 252 2HE MET 29 HE3 MET 29 69.768 13.249 7.946 253 3HE MET 29 HE2 MET 29 70.036 14.990 7.988 254 H LYS 30 HN LYS 30 71.658 10.845 3.954 255 HA LYS 30 HA LYS 30 74.141 12.187 4.836 256 1HB LYS 30 HB2 LYS 30 72.762 9.535 5.339 257 2HB LYS 30 HB1 LYS 30 74.362 9.890 5.989 258 1HG LYS 30 HG2 LYS 30 73.569 11.552 7.412 259 2HG LYS 30 HG1 LYS 30 72.149 11.867 6.415 260 1HD LYS 30 HD2 LYS 30 71.077 10.643 8.020 261 2HD LYS 30 HD1 LYS 30 71.695 9.275 7.092 262 1HE LYS 30 HE2 LYS 30 73.070 8.651 8.788 263 2HE LYS 30 HE1 LYS 30 73.687 10.304 8.974 264 1HZ LYS 30 HZ2 LYS 30 70.950 9.593 9.828 265 2HZ LYS 30 HZ1 LYS 30 72.273 9.346 10.865 266 3HZ LYS 30 HZ3 LYS 30 71.907 10.908 10.317 267 H TYR 31 HN TYR 31 73.015 10.019 2.374 268 HA TYR 31 HA TYR 31 75.815 9.213 1.712 269 1HB TYR 31 HB2 TYR 31 73.088 8.052 1.396 270 2HB TYR 31 HB1 TYR 31 74.268 7.680 0.134 271 HD1 TYR 31 HD1 TYR 31 76.793 7.571 1.557 272 HD2 TYR 31 HD2 TYR 31 72.927 6.163 2.776 273 HE1 TYR 31 HE1 TYR 31 77.870 5.927 3.058 274 HE2 TYR 31 HE2 TYR 31 73.999 4.514 4.278 275 HH TYR 31 HH TYR 31 77.324 4.631 5.066 276 H HIS 32 HN HIS 32 73.825 11.587 1.019 277 HA HIS 32 HA HIS 32 73.560 11.808 -1.779 278 1HB HIS 32 HB2 HIS 32 73.138 14.101 -1.125 279 2HB HIS 32 HB1 HIS 32 72.576 13.058 0.166 280 HD1 HIS 32 HD1 HIS 32 75.508 12.420 1.336 281 HD2 HIS 32 HD2 HIS 32 73.899 16.198 0.623 282 HE1 HIS 32 HE1 HIS 32 76.748 14.027 2.842 283 HA PRO 33 HA PRO 33 77.461 13.112 -3.291 284 1HB PRO 33 HB2 PRO 33 77.915 15.819 -3.273 285 2HB PRO 33 HB1 PRO 33 76.864 14.997 -4.445 286 1HG PRO 33 HG2 PRO 33 76.141 16.512 -1.996 287 2HG PRO 33 HG1 PRO 33 75.330 16.448 -3.567 288 1HD PRO 33 HD2 PRO 33 74.486 15.131 -1.385 289 2HD PRO 33 HD1 PRO 33 74.173 14.562 -3.035 290 H ASP 34 HN ASP 34 77.582 12.292 -0.711 291 HA ASP 34 HA ASP 34 79.662 13.970 0.633 292 1HB ASP 34 HB2 ASP 34 78.448 13.382 2.481 293 2HB ASP 34 HB1 ASP 34 77.358 12.449 1.465 294 H ARG 35 HN ARG 35 78.808 10.753 -0.506 295 HA ARG 35 HA ARG 35 81.683 10.096 -0.920 296 1HB ARG 35 HB2 ARG 35 81.183 7.872 0.108 297 2HB ARG 35 HB1 ARG 35 80.949 9.197 1.251 298 1HG ARG 35 HG2 ARG 35 78.992 7.899 1.517 299 2HG ARG 35 HG1 ARG 35 78.483 9.187 0.427 300 1HD ARG 35 HD2 ARG 35 77.920 7.652 -1.116 301 2HD ARG 35 HD1 ARG 35 79.597 7.074 -1.151 302 HE ARG 35 HE ARG 35 77.406 5.902 0.433 303 1HH1 ARG 35 HH11 ARG 35 80.398 6.639 1.517 304 2HH1 ARG 35 HH12 ARG 35 80.994 5.018 1.638 305 1HH2 ARG 35 HH21 ARG 35 78.340 3.624 -0.103 306 2HH2 ARG 35 HH22 ARG 35 79.832 3.313 0.722 307 H ASN 36 HN ASN 36 78.257 9.642 -1.710 308 HA ASN 36 HA ASN 36 78.261 7.524 -3.503 309 1HB ASN 36 HB2 ASN 36 76.849 10.137 -3.205 310 2HB ASN 36 HB1 ASN 36 76.591 9.249 -4.706 311 1HD2 ASN 36 HD21 ASN 36 74.313 9.326 -3.374 312 2HD2 ASN 36 HD22 ASN 36 74.005 7.921 -2.472 313 H GLN 37 HN GLN 37 79.732 10.684 -3.898 314 HA GLN 37 HA GLN 37 80.045 10.567 -6.771 315 1HB GLN 37 HB2 GLN 37 81.766 12.028 -4.750 316 2HB GLN 37 HB1 GLN 37 81.417 12.507 -6.410 317 1HG GLN 37 HG2 GLN 37 78.936 12.153 -5.009 318 2HG GLN 37 HG1 GLN 37 79.981 13.216 -4.066 319 1HE2 GLN 37 HE22 GLN 37 78.206 14.677 -7.341 320 2HE2 GLN 37 HE21 GLN 37 77.764 13.209 -6.613 321 H GLY 38 HN GLY 38 81.417 8.757 -4.284 322 1HA GLY 38 HA2 GLY 38 83.644 7.933 -6.090 323 2HA GLY 38 HA1 GLY 38 83.977 8.255 -4.387 324 H ASP 39 HN ASP 39 80.922 6.869 -5.308 325 HA ASP 39 HA ASP 39 81.873 4.168 -4.416 326 1HB ASP 39 HB2 ASP 39 79.671 5.933 -3.365 327 2HB ASP 39 HB1 ASP 39 79.560 4.181 -3.188 328 H LYS 40 HN LYS 40 81.406 2.789 -6.072 329 HA LYS 40 HA LYS 40 79.198 3.373 -7.948 330 1HB LYS 40 HB2 LYS 40 81.687 2.509 -8.340 331 2HB LYS 40 HB1 LYS 40 80.947 0.939 -8.033 332 1HG LYS 40 HG2 LYS 40 80.477 1.005 -10.266 333 2HG LYS 40 HG1 LYS 40 79.130 2.024 -9.754 334 1HD LYS 40 HD2 LYS 40 81.868 3.074 -10.524 335 2HD LYS 40 HD1 LYS 40 80.474 3.042 -11.604 336 1HE LYS 40 HE2 LYS 40 79.284 4.308 -9.598 337 2HE LYS 40 HE1 LYS 40 80.953 4.756 -9.190 338 1HZ LYS 40 HZ1 LYS 40 79.783 5.005 -11.909 339 2HZ LYS 40 HZ3 LYS 40 79.879 6.289 -10.804 340 3HZ LYS 40 HZ2 LYS 40 81.301 5.567 -11.391 341 H GLU 41 HN GLU 41 79.258 0.232 -8.158 342 HA GLU 41 HA GLU 41 77.227 -1.098 -7.607 343 1HB GLU 41 HB2 GLU 41 78.464 -2.254 -5.476 344 2HB GLU 41 HB1 GLU 41 78.967 -2.503 -7.148 345 1HG GLU 41 HG2 GLU 41 80.585 -0.649 -6.945 346 2HG GLU 41 HG1 GLU 41 80.086 -0.387 -5.278 347 H ALA 42 HN ALA 42 78.569 0.120 -4.496 348 HA ALA 42 HA ALA 42 76.316 -0.276 -2.881 349 1HB ALA 42 HB3 ALA 42 78.770 0.789 -2.584 350 2HB ALA 42 HB2 ALA 42 77.837 2.285 -2.632 351 3HB ALA 42 HB1 ALA 42 77.489 1.067 -1.404 352 H GLU 43 HN GLU 43 76.786 2.016 -5.460 353 HA GLU 43 HA GLU 43 75.007 4.109 -4.913 354 1HB GLU 43 HB2 GLU 43 76.400 3.716 -6.974 355 2HB GLU 43 HB1 GLU 43 75.197 2.532 -7.489 356 1HG GLU 43 HG2 GLU 43 73.948 4.181 -8.350 357 2HG GLU 43 HG1 GLU 43 73.786 4.880 -6.740 358 H ALA 44 HN ALA 44 74.239 1.000 -6.432 359 HA ALA 44 HA ALA 44 71.551 1.388 -6.873 360 1HB ALA 44 HB1 ALA 44 73.295 -0.976 -6.291 361 2HB ALA 44 HB3 ALA 44 71.557 -1.230 -6.445 362 3HB ALA 44 HB2 ALA 44 72.470 -0.546 -7.790 363 H LYS 45 HN LYS 45 72.941 -0.151 -3.941 364 HA LYS 45 HA LYS 45 70.610 -0.622 -2.505 365 1HB LYS 45 HB2 LYS 45 72.734 -1.206 -1.573 366 2HB LYS 45 HB1 LYS 45 73.305 0.467 -1.650 367 1HG LYS 45 HG2 LYS 45 71.731 1.151 0.057 368 2HG LYS 45 HG1 LYS 45 70.945 -0.428 0.033 369 1HD LYS 45 HD2 LYS 45 73.828 -0.621 0.507 370 2HD LYS 45 HD1 LYS 45 73.000 0.327 1.743 371 1HE LYS 45 HE2 LYS 45 71.254 -1.656 1.682 372 2HE LYS 45 HE1 LYS 45 72.625 -2.565 1.015 373 1HZ LYS 45 HZ2 LYS 45 73.022 -0.810 3.348 374 2HZ LYS 45 HZ1 LYS 45 72.376 -2.366 3.574 375 3HZ LYS 45 HZ3 LYS 45 73.908 -2.180 2.874 376 H PHE 46 HN PHE 46 72.035 2.473 -3.342 377 HA PHE 46 HA PHE 46 70.515 4.045 -1.422 378 1HB PHE 46 HB2 PHE 46 71.805 4.841 -4.052 379 2HB PHE 46 HB1 PHE 46 71.406 5.915 -2.714 380 HD1 PHE 46 HD2 PHE 46 72.199 3.562 -0.664 381 HD2 PHE 46 HD1 PHE 46 74.186 5.612 -3.873 382 HE1 PHE 46 HE2 PHE 46 74.394 3.077 0.386 383 HE2 PHE 46 HE1 PHE 46 76.381 5.129 -2.823 384 HZ PHE 46 HZ PHE 46 76.484 3.861 -0.694 385 H LYS 47 HN LYS 47 70.154 3.484 -4.967 386 HA LYS 47 HA LYS 47 67.476 4.742 -4.843 387 1HB LYS 47 HB2 LYS 47 67.847 5.067 -7.073 388 2HB LYS 47 HB1 LYS 47 69.498 4.569 -6.723 389 1HG LYS 47 HG2 LYS 47 67.264 2.700 -7.567 390 2HG LYS 47 HG1 LYS 47 68.532 3.309 -8.632 391 1HD LYS 47 HD2 LYS 47 70.000 2.338 -6.528 392 2HD LYS 47 HD1 LYS 47 68.657 1.196 -6.586 393 1HE LYS 47 HE2 LYS 47 70.246 0.278 -8.108 394 2HE LYS 47 HE1 LYS 47 69.092 1.123 -9.156 395 1HZ LYS 47 HZ2 LYS 47 70.963 2.989 -8.217 396 2HZ LYS 47 HZ1 LYS 47 71.825 1.657 -8.826 397 3HZ LYS 47 HZ3 LYS 47 70.713 2.468 -9.814 398 H GLU 48 HN GLU 48 68.830 1.706 -4.332 399 HA GLU 48 HA GLU 48 66.791 -0.054 -5.367 400 1HB GLU 48 HB2 GLU 48 68.981 -0.095 -3.296 401 2HB GLU 48 HB1 GLU 48 67.837 -1.433 -3.353 402 1HG GLU 48 HG2 GLU 48 68.961 -0.594 -5.961 403 2HG GLU 48 HG1 GLU 48 70.104 -1.337 -4.843 404 H ILE 49 HN ILE 49 67.370 1.784 -2.493 405 HA ILE 49 HA ILE 49 65.339 0.838 -0.741 406 HB ILE 49 HB ILE 49 66.614 3.523 -1.266 407 1HG1 ILE 49 HG12 ILE 49 67.127 1.964 1.190 408 2HG1 ILE 49 HG11 ILE 49 67.713 1.246 -0.310 409 1HG2 ILE 49 HG23 ILE 49 64.750 2.673 0.945 410 2HG2 ILE 49 HG22 ILE 49 65.839 4.050 1.095 411 3HG2 ILE 49 HG21 ILE 49 64.583 4.050 -0.143 412 1HD1 ILE 49 HD12 ILE 49 68.794 3.470 -0.842 413 2HD1 ILE 49 HD11 ILE 49 68.386 3.983 0.795 414 3HD1 ILE 49 HD13 ILE 49 69.489 2.629 0.544 415 H LYS 50 HN LYS 50 65.350 3.521 -3.045 416 HA LYS 50 HA LYS 50 62.711 4.452 -2.794 417 1HB LYS 50 HB2 LYS 50 64.239 5.609 -4.204 418 2HB LYS 50 HB1 LYS 50 64.614 4.155 -5.130 419 1HG LYS 50 HG2 LYS 50 63.073 5.806 -6.298 420 2HG LYS 50 HG1 LYS 50 62.451 4.160 -6.173 421 1HD LYS 50 HD2 LYS 50 60.816 4.743 -4.674 422 2HD LYS 50 HD1 LYS 50 61.812 5.986 -3.916 423 1HE LYS 50 HE2 LYS 50 59.966 7.058 -5.131 424 2HE LYS 50 HE1 LYS 50 61.490 7.411 -5.971 425 1HZ LYS 50 HZ1 LYS 50 60.824 5.043 -7.029 426 2HZ LYS 50 HZ3 LYS 50 59.286 5.717 -6.793 427 3HZ LYS 50 HZ2 LYS 50 60.435 6.538 -7.737 428 H GLU 51 HN GLU 51 63.927 1.753 -4.792 429 HA GLU 51 HA GLU 51 61.602 0.972 -6.144 430 1HB GLU 51 HB2 GLU 51 64.082 0.085 -6.008 431 2HB GLU 51 HB1 GLU 51 63.407 -1.032 -4.821 432 1HG GLU 51 HG2 GLU 51 63.253 -2.149 -6.930 433 2HG GLU 51 HG1 GLU 51 61.621 -1.593 -6.557 434 H ALA 52 HN ALA 52 62.553 0.298 -2.785 435 HA ALA 52 HA ALA 52 60.701 -1.576 -1.906 436 1HB ALA 52 HB1 ALA 52 62.450 -0.397 -0.590 437 2HB ALA 52 HB3 ALA 52 61.446 1.051 -0.595 438 3HB ALA 52 HB2 ALA 52 60.891 -0.402 0.236 439 H TYR 53 HN TYR 53 60.089 1.674 -3.015 440 HA TYR 53 HA TYR 53 57.545 2.171 -1.862 441 1HB TYR 53 HB2 TYR 53 58.769 2.916 -4.536 442 2HB TYR 53 HB1 TYR 53 57.322 3.662 -3.879 443 HD1 TYR 53 HD1 TYR 53 59.934 2.724 -1.474 444 HD2 TYR 53 HD2 TYR 53 58.489 5.832 -4.064 445 HE1 TYR 53 HE1 TYR 53 61.339 4.354 -0.296 446 HE2 TYR 53 HE2 TYR 53 59.893 7.473 -2.864 447 HH TYR 53 HH TYR 53 61.099 7.805 -0.933 448 H GLU 54 HN GLU 54 58.376 0.801 -5.041 449 HA GLU 54 HA GLU 54 55.876 0.298 -6.143 450 1HB GLU 54 HB2 GLU 54 58.054 -1.804 -6.099 451 2HB GLU 54 HB1 GLU 54 56.960 -1.396 -7.422 452 1HG GLU 54 HG2 GLU 54 58.249 0.994 -6.899 453 2HG GLU 54 HG1 GLU 54 59.522 -0.207 -6.694 454 H VAL 55 HN VAL 55 57.456 -1.225 -3.460 455 HA VAL 55 HA VAL 55 55.434 -3.331 -3.283 456 HB VAL 55 HB VAL 55 58.154 -2.899 -2.570 457 1HG1 VAL 55 HG12 VAL 55 56.317 -3.354 -0.229 458 2HG1 VAL 55 HG11 VAL 55 57.982 -3.925 -0.225 459 3HG1 VAL 55 HG13 VAL 55 57.644 -2.203 -0.370 460 1HG2 VAL 55 HG23 VAL 55 56.265 -5.042 -2.946 461 2HG2 VAL 55 HG22 VAL 55 58.015 -5.049 -3.165 462 3HG2 VAL 55 HG21 VAL 55 57.323 -5.386 -1.577 463 H LEU 56 HN LEU 56 56.708 -0.811 -1.055 464 HA LEU 56 HA LEU 56 54.349 -1.157 0.633 465 1HB LEU 56 HB2 LEU 56 55.878 -0.492 2.125 466 2HB LEU 56 HB1 LEU 56 57.022 -0.228 0.817 467 HG LEU 56 HG LEU 56 56.774 1.779 2.190 468 1HD1 LEU 56 HD11 LEU 56 56.360 1.568 -0.630 469 2HD1 LEU 56 HD13 LEU 56 55.443 2.942 -0.018 470 3HD1 LEU 56 HD12 LEU 56 57.180 2.849 0.264 471 1HD2 LEU 56 HD23 LEU 56 54.058 1.009 2.194 472 2HD2 LEU 56 HD22 LEU 56 54.774 2.408 2.993 473 3HD2 LEU 56 HD21 LEU 56 54.129 2.559 1.358 474 H THR 57 HN THR 57 55.162 1.075 -1.996 475 HA THR 57 HA THR 57 53.019 2.959 -1.164 476 HB THR 57 HB THR 57 53.652 4.130 -3.281 477 HG1 THR 57 HG1 THR 57 55.580 3.247 -4.307 478 1HG2 THR 57 HG22 THR 57 54.933 4.381 -1.050 479 2HG2 THR 57 HG21 THR 57 56.195 3.429 -1.830 480 3HG2 THR 57 HG23 THR 57 55.709 4.977 -2.516 481 H ASP 58 HN ASP 58 52.543 0.043 -1.959 482 HA ASP 58 HA ASP 58 50.325 0.589 -3.858 483 1HB ASP 58 HB2 ASP 58 52.812 -0.712 -4.456 484 2HB ASP 58 HB1 ASP 58 51.528 -1.926 -4.503 485 H SER 59 HN SER 59 48.584 -0.073 -2.892 486 HA SER 59 HA SER 59 48.399 -1.490 -0.546 487 1HB SER 59 HB2 SER 59 46.086 -1.526 -1.002 488 2HB SER 59 HB1 SER 59 46.675 -0.194 -1.992 489 HG SER 59 HG SER 59 45.299 -2.108 -2.885 490 H GLN 60 HN GLN 60 48.269 -2.884 -3.843 491 HA GLN 60 HA GLN 60 47.700 -5.561 -3.085 492 1HB GLN 60 HB2 GLN 60 48.769 -6.072 -5.312 493 2HB GLN 60 HB1 GLN 60 47.563 -4.791 -5.369 494 1HG GLN 60 HG2 GLN 60 50.264 -3.798 -4.798 495 2HG GLN 60 HG1 GLN 60 50.135 -4.600 -6.360 496 1HE2 GLN 60 HE22 GLN 60 49.112 -1.283 -7.325 497 2HE2 GLN 60 HE21 GLN 60 50.484 -2.271 -7.168 498 H LYS 61 HN LYS 61 50.779 -3.819 -3.094 499 HA LYS 61 HA LYS 61 52.416 -6.197 -2.635 500 1HB LYS 61 HB2 LYS 61 52.723 -3.232 -2.750 501 2HB LYS 61 HB1 LYS 61 54.011 -4.196 -2.032 502 1HG LYS 61 HG2 LYS 61 54.078 -3.666 -4.586 503 2HG LYS 61 HG1 LYS 61 54.507 -5.275 -4.022 504 1HD LYS 61 HD2 LYS 61 51.942 -5.785 -4.403 505 2HD LYS 61 HD1 LYS 61 52.017 -4.367 -5.446 506 1HE LYS 61 HE2 LYS 61 53.694 -6.888 -5.679 507 2HE LYS 61 HE1 LYS 61 52.473 -6.306 -6.826 508 1HZ LYS 61 HZ3 LYS 61 54.108 -4.154 -6.428 509 2HZ LYS 61 HZ2 LYS 61 55.191 -5.462 -6.493 510 3HZ LYS 61 HZ1 LYS 61 54.124 -5.175 -7.783 511 H ARG 62 HN ARG 62 51.976 -3.303 -0.598 512 HA ARG 62 HA ARG 62 52.973 -4.264 1.790 513 1HB ARG 62 HB2 ARG 62 51.333 -2.644 2.816 514 2HB ARG 62 HB1 ARG 62 52.213 -1.981 1.436 515 1HG ARG 62 HG2 ARG 62 50.364 -2.035 0.051 516 2HG ARG 62 HG1 ARG 62 49.635 -3.392 0.906 517 1HD ARG 62 HD2 ARG 62 48.287 -1.499 1.484 518 2HD ARG 62 HD1 ARG 62 49.341 -1.752 2.889 519 HE ARG 62 HE ARG 62 50.714 -0.064 1.057 520 1HH1 ARG 62 HH21 ARG 62 48.882 -0.075 3.870 521 2HH1 ARG 62 HH22 ARG 62 48.501 1.614 3.837 522 1HH2 ARG 62 HH11 ARG 62 49.825 2.125 0.675 523 2HH2 ARG 62 HH12 ARG 62 49.033 2.858 2.029 524 H ALA 63 HN ALA 63 49.888 -5.124 0.311 525 HA ALA 63 HA ALA 63 48.796 -6.384 2.714 526 1HB ALA 63 HB1 ALA 63 47.978 -5.690 0.068 527 2HB ALA 63 HB3 ALA 63 47.716 -7.421 0.256 528 3HB ALA 63 HB2 ALA 63 46.966 -6.287 1.379 529 H ALA 64 HN ALA 64 50.863 -7.252 0.071 530 HA ALA 64 HA ALA 64 50.750 -10.150 0.637 531 1HB ALA 64 HB1 ALA 64 52.271 -8.371 -1.294 532 2HB ALA 64 HB3 ALA 64 52.403 -10.129 -1.279 533 3HB ALA 64 HB2 ALA 64 50.860 -9.363 -1.661 534 H TYR 65 HN TYR 65 53.138 -7.482 0.755 535 HA TYR 65 HA TYR 65 55.241 -9.087 1.901 536 1HB TYR 65 HB2 TYR 65 54.637 -6.136 1.659 537 2HB TYR 65 HB1 TYR 65 56.131 -6.738 2.392 538 HD1 TYR 65 HD1 TYR 65 54.149 -6.571 -0.728 539 HD2 TYR 65 HD2 TYR 65 57.846 -7.809 1.071 540 HE1 TYR 65 HE1 TYR 65 55.112 -6.958 -2.979 541 HE2 TYR 65 HE2 TYR 65 58.811 -8.194 -1.180 542 HH TYR 65 HH TYR 65 57.683 -8.761 -3.592 543 H ASP 66 HN ASP 66 52.474 -7.450 3.280 544 HA ASP 66 HA ASP 66 53.343 -6.965 5.923 545 1HB ASP 66 HB2 ASP 66 50.933 -7.284 6.469 546 2HB ASP 66 HB1 ASP 66 51.149 -6.329 5.005 547 H GLN 67 HN GLN 67 52.507 -9.991 4.308 548 HA GLN 67 HA GLN 67 53.247 -11.467 6.819 549 1HB GLN 67 HB2 GLN 67 51.021 -11.667 4.880 550 2HB GLN 67 HB1 GLN 67 51.752 -13.212 5.319 551 1HG GLN 67 HG2 GLN 67 51.367 -12.814 7.665 552 2HG GLN 67 HG1 GLN 67 50.867 -11.151 7.355 553 1HE2 GLN 67 HE22 GLN 67 48.102 -14.033 7.236 554 2HE2 GLN 67 HE21 GLN 67 49.645 -14.236 7.912 555 H TYR 68 HN TYR 68 54.713 -10.524 4.197 556 HA TYR 68 HA TYR 68 56.376 -11.421 2.772 557 1HB TYR 68 HB2 TYR 68 56.298 -13.107 5.257 558 2HB TYR 68 HB1 TYR 68 57.364 -13.590 3.934 559 HD1 TYR 68 HD1 TYR 68 56.416 -10.111 4.836 560 HD2 TYR 68 HD2 TYR 68 59.493 -13.101 4.891 561 HE1 TYR 68 HE1 TYR 68 58.066 -8.397 5.537 562 HE2 TYR 68 HE2 TYR 68 61.146 -11.391 5.594 563 HH TYR 68 HH TYR 68 60.800 -8.950 6.941 564 H GLY 69 HN GLY 69 53.467 -12.357 2.575 565 1HA GLY 69 HA2 GLY 69 52.637 -13.671 0.699 566 2HA GLY 69 HA1 GLY 69 54.032 -14.739 0.880 567 H HIS 70 HN HIS 70 51.793 -16.137 0.807 568 HA HIS 70 HA HIS 70 50.559 -16.371 3.466 569 1HB HIS 70 HB2 HIS 70 49.098 -17.906 2.350 570 2HB HIS 70 HB1 HIS 70 49.460 -16.652 1.159 571 HD1 HIS 70 HD1 HIS 70 48.869 -19.936 0.859 572 HD2 HIS 70 HD2 HIS 70 52.380 -17.817 0.108 573 HE1 HIS 70 HE1 HIS 70 50.225 -21.345 -0.749 574 H ALA 71 HN ALA 71 53.526 -17.145 2.575 575 HA ALA 71 HA ALA 71 53.652 -19.987 3.314 576 1HB ALA 71 HB3 ALA 71 55.280 -17.949 2.077 577 2HB ALA 71 HB2 ALA 71 56.200 -18.742 3.356 578 3HB ALA 71 HB1 ALA 71 55.502 -19.698 2.050 579 H ALA 72 HN ALA 72 54.080 -16.861 4.869 580 HA ALA 72 HA ALA 72 55.543 -17.704 7.183 581 1HB ALA 72 HB1 ALA 72 53.935 -15.418 6.237 582 2HB ALA 72 HB3 ALA 72 53.962 -15.601 7.991 583 3HB ALA 72 HB2 ALA 72 55.473 -15.425 7.099 584 H PHE 73 HN PHE 73 52.348 -18.402 6.183 585 HA PHE 73 HA PHE 73 51.719 -19.464 8.908 586 1HB PHE 73 HB2 PHE 73 50.484 -17.285 7.449 587 2HB PHE 73 HB1 PHE 73 49.311 -18.576 7.728 588 HD1 PHE 73 HD1 PHE 73 49.737 -19.712 10.222 589 HD2 PHE 73 HD2 PHE 73 50.469 -15.635 9.086 590 HE1 PHE 73 HE1 PHE 73 49.525 -19.014 12.592 591 HE2 PHE 73 HE2 PHE 73 50.258 -14.937 11.456 592 HZ PHE 73 HZ PHE 73 49.785 -16.626 13.209 593 H GLU 74 HN GLU 74 50.699 -19.397 5.473 594 HA GLU 74 HA GLU 74 49.982 -21.159 4.070 595 1HB GLU 74 HB2 GLU 74 51.116 -22.935 6.245 596 2HB GLU 74 HB1 GLU 74 51.018 -23.274 4.516 597 1HG GLU 74 HG2 GLU 74 52.434 -20.913 4.559 598 2HG GLU 74 HG1 GLU 74 53.024 -21.727 6.010 599 H GLN 75 HN GLN 75 47.910 -21.923 3.876 600 HA GLN 75 HA GLN 75 45.775 -22.731 4.491 601 1HB GLN 75 HB2 GLN 75 47.812 -24.116 5.982 602 2HB GLN 75 HB1 GLN 75 46.386 -23.921 7.001 603 1HG GLN 75 HG2 GLN 75 45.010 -24.777 5.041 604 2HG GLN 75 HG1 GLN 75 46.535 -25.210 4.268 605 1HE2 GLN 75 HE22 GLN 75 47.110 -27.358 7.401 606 2HE2 GLN 75 HE21 GLN 75 47.763 -25.850 6.976 607 H GLY 76 HN GLY 76 47.007 -22.324 7.795 608 1HA GLY 76 HA2 GLY 76 46.033 -19.715 8.313 609 2HA GLY 76 HA1 GLY 76 44.721 -20.843 8.661 610 H GLY 77 HN GLY 77 46.131 -23.006 9.699 611 1HA GLY 77 HA2 GLY 77 47.884 -23.404 11.439 612 2HA GLY 77 HA1 GLY 77 47.483 -21.814 12.089 No H/Q in entry = 612 Start of MODEL 4 1 1H ALA 1 HT1 ALA 1 70.202 -14.401 2.178 2 2H ALA 1 HT3 ALA 1 70.485 -14.875 3.782 3 3H ALA 1 HT2 ALA 1 70.075 -16.038 2.614 4 HA ALA 1 HA ALA 1 67.973 -15.818 3.332 5 1HB ALA 1 HB1 ALA 1 69.110 -14.615 5.273 6 2HB ALA 1 HB3 ALA 1 68.753 -13.104 4.435 7 3HB ALA 1 HB2 ALA 1 67.436 -14.144 4.978 8 H LYS 2 HN LYS 2 66.318 -13.489 3.346 9 HA LYS 2 HA LYS 2 66.345 -12.840 0.431 10 1HB LYS 2 HB2 LYS 2 63.958 -12.374 0.815 11 2HB LYS 2 HB1 LYS 2 64.378 -13.967 1.444 12 1HG LYS 2 HG2 LYS 2 64.888 -12.224 3.571 13 2HG LYS 2 HG1 LYS 2 63.381 -11.634 2.868 14 1HD LYS 2 HD2 LYS 2 62.508 -13.990 2.924 15 2HD LYS 2 HD1 LYS 2 63.964 -14.456 3.804 16 1HE LYS 2 HE2 LYS 2 63.050 -12.224 5.208 17 2HE LYS 2 HE1 LYS 2 61.568 -13.110 4.801 18 1HZ LYS 2 HZ1 LYS 2 63.862 -14.707 5.630 19 2HZ LYS 2 HZ3 LYS 2 63.112 -13.789 6.844 20 3HZ LYS 2 HZ2 LYS 2 62.210 -14.926 5.960 21 H GLN 3 HN GLN 3 64.436 -10.591 1.068 22 HA GLN 3 HA GLN 3 66.182 -8.621 2.444 23 1HB GLN 3 HB2 GLN 3 66.912 -8.804 0.061 24 2HB GLN 3 HB1 GLN 3 65.280 -8.369 -0.445 25 1HG GLN 3 HG2 GLN 3 65.476 -6.221 0.758 26 2HG GLN 3 HG1 GLN 3 67.114 -6.651 1.253 27 1HE2 GLN 3 HE22 GLN 3 67.970 -6.678 -2.459 28 2HE2 GLN 3 HE21 GLN 3 67.797 -7.938 -1.337 29 H ASP 4 HN ASP 4 64.953 -6.959 3.356 30 HA ASP 4 HA ASP 4 62.024 -6.925 2.687 31 1HB ASP 4 HB2 ASP 4 62.527 -5.827 5.278 32 2HB ASP 4 HB1 ASP 4 61.660 -7.312 4.887 33 H TYR 5 HN TYR 5 61.616 -5.241 1.548 34 HA TYR 5 HA TYR 5 63.184 -2.884 1.382 35 1HB TYR 5 HB2 TYR 5 60.472 -2.270 0.724 36 2HB TYR 5 HB1 TYR 5 61.843 -2.541 -0.341 37 HD1 TYR 5 HD2 TYR 5 62.464 -4.898 -0.993 38 HD2 TYR 5 HD1 TYR 5 58.750 -3.851 0.874 39 HE1 TYR 5 HE2 TYR 5 61.467 -7.034 -1.789 40 HE2 TYR 5 HE1 TYR 5 57.742 -5.985 0.083 41 HH TYR 5 HH TYR 5 58.359 -7.628 -2.042 42 H TYR 6 HN TYR 6 60.160 -3.469 3.223 43 HA TYR 6 HA TYR 6 59.882 -0.944 4.425 44 1HB TYR 6 HB2 TYR 6 59.452 -3.782 5.325 45 2HB TYR 6 HB1 TYR 6 59.158 -2.455 6.447 46 HD1 TYR 6 HD1 TYR 6 58.048 -0.343 4.748 47 HD2 TYR 6 HD2 TYR 6 57.378 -4.579 4.648 48 HE1 TYR 6 HE1 TYR 6 55.808 0.030 3.745 49 HE2 TYR 6 HE2 TYR 6 55.142 -4.212 3.642 50 HH TYR 6 HH TYR 6 53.596 -2.689 3.124 51 H GLU 7 HN GLU 7 62.251 -3.441 4.858 52 HA GLU 7 HA GLU 7 63.533 -2.098 7.169 53 1HB GLU 7 HB2 GLU 7 63.197 -4.675 6.631 54 2HB GLU 7 HB1 GLU 7 64.647 -4.443 5.652 55 1HG GLU 7 HG2 GLU 7 64.852 -3.214 8.308 56 2HG GLU 7 HG1 GLU 7 64.624 -4.962 8.372 57 H ILE 8 HN ILE 8 63.922 -2.609 3.695 58 HA ILE 8 HA ILE 8 66.589 -1.879 3.304 59 HB ILE 8 HB ILE 8 64.088 -1.393 1.703 60 1HG1 ILE 8 HG12 ILE 8 66.426 -3.343 1.536 61 2HG1 ILE 8 HG11 ILE 8 64.764 -3.739 1.968 62 1HG2 ILE 8 HG22 ILE 8 65.797 0.299 1.105 63 2HG2 ILE 8 HG21 ILE 8 66.982 -0.985 0.870 64 3HG2 ILE 8 HG23 ILE 8 65.580 -0.875 -0.194 65 1HD1 ILE 8 HD11 ILE 8 64.250 -2.617 -0.388 66 2HD1 ILE 8 HD13 ILE 8 65.920 -3.089 -0.711 67 3HD1 ILE 8 HD12 ILE 8 64.726 -4.311 -0.271 68 H LEU 9 HN LEU 9 63.734 0.236 3.618 69 HA LEU 9 HA LEU 9 65.361 2.704 3.386 70 1HB LEU 9 HB2 LEU 9 62.541 2.503 4.404 71 2HB LEU 9 HB1 LEU 9 63.270 3.776 3.434 72 HG LEU 9 HG LEU 9 63.502 1.407 1.919 73 1HD1 LEU 9 HD11 LEU 9 61.619 0.754 3.663 74 2HD1 LEU 9 HD13 LEU 9 60.610 1.752 2.618 75 3HD1 LEU 9 HD12 LEU 9 61.438 0.343 1.958 76 1HD2 LEU 9 HD23 LEU 9 62.731 4.046 1.606 77 2HD2 LEU 9 HD22 LEU 9 62.698 2.823 0.338 78 3HD2 LEU 9 HD21 LEU 9 61.244 3.167 1.267 79 H GLY 10 HN GLY 10 64.440 0.481 5.837 80 1HA GLY 10 HA2 GLY 10 65.421 0.526 8.049 81 2HA GLY 10 HA1 GLY 10 65.588 2.279 7.906 82 H VAL 11 HN VAL 11 62.619 0.818 6.863 83 HA VAL 11 HA VAL 11 61.256 2.080 9.212 84 HB VAL 11 HB VAL 11 59.446 1.272 7.153 85 1HG1 VAL 11 HG13 VAL 11 60.483 3.926 8.134 86 2HG1 VAL 11 HG12 VAL 11 59.168 3.777 6.969 87 3HG1 VAL 11 HG11 VAL 11 58.988 3.111 8.593 88 1HG2 VAL 11 HG21 VAL 11 61.992 2.451 6.147 89 2HG2 VAL 11 HG23 VAL 11 60.904 1.299 5.375 90 3HG2 VAL 11 HG22 VAL 11 60.481 3.008 5.453 91 H SER 12 HN SER 12 59.040 0.939 9.611 92 HA SER 12 HA SER 12 59.597 -1.882 10.236 93 1HB SER 12 HB2 SER 12 58.589 -0.562 11.961 94 2HB SER 12 HB1 SER 12 57.409 0.110 10.840 95 HG SER 12 HG SER 12 56.227 -1.469 11.598 96 H LYS 13 HN LYS 13 58.276 -3.623 9.424 97 HA LYS 13 HA LYS 13 57.512 -3.482 6.727 98 1HB LYS 13 HB2 LYS 13 56.269 -5.560 7.237 99 2HB LYS 13 HB1 LYS 13 57.890 -5.547 7.931 100 1HG LYS 13 HG2 LYS 13 56.075 -4.333 9.800 101 2HG LYS 13 HG1 LYS 13 55.421 -5.895 9.304 102 1HD LYS 13 HD2 LYS 13 58.182 -6.319 9.663 103 2HD LYS 13 HD1 LYS 13 57.675 -5.333 11.035 104 1HE LYS 13 HE2 LYS 13 56.191 -6.955 11.827 105 2HE LYS 13 HE1 LYS 13 55.988 -7.694 10.226 106 1HZ LYS 13 HZ3 LYS 13 58.673 -7.847 10.701 107 2HZ LYS 13 HZ2 LYS 13 57.990 -8.205 12.215 108 3HZ LYS 13 HZ1 LYS 13 57.567 -9.124 10.850 109 H THR 14 HN THR 14 55.954 -2.325 9.546 110 HA THR 14 HA THR 14 53.399 -1.841 8.079 111 HB THR 14 HB THR 14 52.380 -2.016 10.156 112 HG1 THR 14 HG1 THR 14 53.042 -0.701 11.624 113 1HG2 THR 14 HG22 THR 14 53.902 -4.048 9.761 114 2HG2 THR 14 HG21 THR 14 54.984 -3.328 10.954 115 3HG2 THR 14 HG23 THR 14 53.346 -3.793 11.415 116 H ALA 15 HN ALA 15 56.196 -0.381 8.169 117 HA ALA 15 HA ALA 15 56.186 2.102 9.375 118 1HB ALA 15 HB1 ALA 15 57.007 1.223 6.616 119 2HB ALA 15 HB3 ALA 15 57.582 2.679 7.419 120 3HB ALA 15 HB2 ALA 15 57.956 1.099 8.096 121 H GLU 16 HN GLU 16 56.251 3.439 6.552 122 HA GLU 16 HA GLU 16 53.600 3.782 5.598 123 1HB GLU 16 HB2 GLU 16 54.331 5.073 8.113 124 2HB GLU 16 HB1 GLU 16 53.815 6.252 6.900 125 1HG GLU 16 HG2 GLU 16 52.062 4.002 6.743 126 2HG GLU 16 HG1 GLU 16 52.186 4.477 8.437 127 H GLU 17 HN GLU 17 53.693 5.060 3.775 128 HA GLU 17 HA GLU 17 56.063 5.667 2.453 129 1HB GLU 17 HB2 GLU 17 54.642 6.984 0.995 130 2HB GLU 17 HB1 GLU 17 53.703 5.611 1.584 131 1HG GLU 17 HG2 GLU 17 52.604 6.984 3.241 132 2HG GLU 17 HG1 GLU 17 53.661 8.349 2.881 133 H ARG 18 HN ARG 18 54.663 7.477 5.088 134 HA ARG 18 HA ARG 18 56.096 9.956 4.383 135 1HB ARG 18 HB2 ARG 18 55.090 10.668 6.612 136 2HB ARG 18 HB1 ARG 18 53.925 10.151 5.395 137 1HG ARG 18 HG2 ARG 18 53.553 8.079 6.449 138 2HG ARG 18 HG1 ARG 18 55.050 8.182 7.380 139 1HD ARG 18 HD2 ARG 18 53.408 8.727 8.988 140 2HD ARG 18 HD1 ARG 18 53.922 10.330 8.421 141 HE ARG 18 HE ARG 18 51.609 8.950 7.121 142 1HH1 ARG 18 HH21 ARG 18 51.215 11.139 5.828 143 2HH1 ARG 18 HH22 ARG 18 50.678 12.401 6.887 144 1HH2 ARG 18 HH11 ARG 18 51.697 10.773 9.775 145 2HH2 ARG 18 HH12 ARG 18 50.951 12.193 9.121 146 H GLU 19 HN GLU 19 56.564 7.205 6.464 147 HA GLU 19 HA GLU 19 58.946 8.443 7.707 148 1HB GLU 19 HB2 GLU 19 58.770 6.085 8.912 149 2HB GLU 19 HB1 GLU 19 57.709 7.396 9.396 150 1HG GLU 19 HG2 GLU 19 55.899 6.499 8.077 151 2HG GLU 19 HG1 GLU 19 56.964 5.304 7.334 152 H ILE 20 HN ILE 20 57.863 6.338 5.235 153 HA ILE 20 HA ILE 20 60.334 4.772 4.976 154 HB ILE 20 HB ILE 20 57.994 5.306 3.122 155 1HG1 ILE 20 HG12 ILE 20 57.766 4.120 5.520 156 2HG1 ILE 20 HG11 ILE 20 56.831 3.596 4.127 157 1HG2 ILE 20 HG21 ILE 20 60.459 3.698 2.905 158 2HG2 ILE 20 HG23 ILE 20 58.984 2.870 2.423 159 3HG2 ILE 20 HG22 ILE 20 59.437 4.378 1.640 160 1HD1 ILE 20 HD12 ILE 20 59.420 2.267 4.175 161 2HD1 ILE 20 HD11 ILE 20 58.559 2.024 5.688 162 3HD1 ILE 20 HD13 ILE 20 57.807 1.564 4.167 163 H ARG 21 HN ARG 21 58.645 7.225 2.991 164 HA ARG 21 HA ARG 21 60.707 7.883 1.189 165 1HB ARG 21 HB2 ARG 21 59.554 10.092 1.133 166 2HB ARG 21 HB1 ARG 21 58.372 8.783 1.199 167 1HG ARG 21 HG2 ARG 21 57.586 10.266 2.842 168 2HG ARG 21 HG1 ARG 21 58.516 9.101 3.783 169 1HD ARG 21 HD2 ARG 21 59.745 10.830 4.578 170 2HD ARG 21 HD1 ARG 21 60.359 11.084 2.934 171 HE ARG 21 HE ARG 21 58.983 12.994 2.885 172 1HH1 ARG 21 HH11 ARG 21 56.442 11.823 2.404 173 2HH1 ARG 21 HH12 ARG 21 55.519 12.141 3.834 174 1HH2 ARG 21 HH21 ARG 21 58.294 12.853 5.789 175 2HH2 ARG 21 HH22 ARG 21 56.567 12.719 5.751 176 H LYS 22 HN LYS 22 60.208 8.565 4.545 177 HA LYS 22 HA LYS 22 62.335 10.505 4.922 178 1HB LYS 22 HB2 LYS 22 60.083 9.905 6.205 179 2HB LYS 22 HB1 LYS 22 61.119 8.759 7.055 180 1HG LYS 22 HG2 LYS 22 61.760 11.713 6.773 181 2HG LYS 22 HG1 LYS 22 60.948 11.017 8.174 182 1HD LYS 22 HD2 LYS 22 63.610 9.967 7.202 183 2HD LYS 22 HD1 LYS 22 63.499 11.302 8.341 184 1HE LYS 22 HE2 LYS 22 61.886 8.853 8.941 185 2HE LYS 22 HE1 LYS 22 63.638 8.782 9.213 186 1HZ LYS 22 HZ1 LYS 22 63.120 11.186 10.181 187 2HZ LYS 22 HZ3 LYS 22 61.628 10.450 10.512 188 3HZ LYS 22 HZ2 LYS 22 63.059 9.787 11.143 189 H ALA 23 HN ALA 23 61.890 7.068 5.838 190 HA ALA 23 HA ALA 23 64.359 6.522 7.018 191 1HB ALA 23 HB1 ALA 23 62.119 5.144 6.149 192 2HB ALA 23 HB3 ALA 23 63.405 4.453 5.161 193 3HB ALA 23 HB2 ALA 23 63.524 4.406 6.920 194 H TYR 24 HN TYR 24 63.543 6.503 3.560 195 HA TYR 24 HA TYR 24 66.193 5.794 2.648 196 1HB TYR 24 HB2 TYR 24 64.003 5.466 1.446 197 2HB TYR 24 HB1 TYR 24 63.867 7.208 1.275 198 HD1 TYR 24 HD1 TYR 24 67.274 6.106 1.159 199 HD2 TYR 24 HD2 TYR 24 63.728 6.565 -1.222 200 HE1 TYR 24 HE1 TYR 24 68.648 6.048 -0.904 201 HE2 TYR 24 HE2 TYR 24 65.102 6.506 -3.283 202 HH TYR 24 HH TYR 24 68.617 6.526 -3.143 203 H LYS 25 HN LYS 25 64.304 8.739 3.073 204 HA LYS 25 HA LYS 25 66.048 10.709 2.067 205 1HB LYS 25 HB2 LYS 25 63.708 10.398 3.659 206 2HB LYS 25 HB1 LYS 25 64.765 11.524 4.499 207 1HG LYS 25 HG2 LYS 25 64.148 13.141 3.055 208 2HG LYS 25 HG1 LYS 25 64.863 12.203 1.741 209 1HD LYS 25 HD2 LYS 25 62.818 11.069 1.297 210 2HD LYS 25 HD1 LYS 25 62.105 11.616 2.813 211 1HE LYS 25 HE2 LYS 25 63.016 13.730 0.904 212 2HE LYS 25 HE1 LYS 25 61.529 12.846 0.506 213 1HZ LYS 25 HZ1 LYS 25 60.961 13.203 2.963 214 2HZ LYS 25 HZ3 LYS 25 62.143 14.419 2.930 215 3HZ LYS 25 HZ2 LYS 25 60.789 14.526 1.911 216 H ARG 26 HN ARG 26 65.849 9.386 5.390 217 HA ARG 26 HA ARG 26 67.799 10.891 6.673 218 1HB ARG 26 HB2 ARG 26 67.300 7.903 6.874 219 2HB ARG 26 HB1 ARG 26 68.031 8.908 8.126 220 1HG ARG 26 HG2 ARG 26 65.473 9.965 7.159 221 2HG ARG 26 HG1 ARG 26 65.327 8.366 7.890 222 1HD ARG 26 HD2 ARG 26 65.104 9.854 9.730 223 2HD ARG 26 HD1 ARG 26 66.807 9.365 9.802 224 HE ARG 26 HE ARG 26 66.328 11.697 8.100 225 1HH1 ARG 26 HH11 ARG 26 68.627 10.746 10.078 226 2HH1 ARG 26 HH12 ARG 26 68.630 12.104 11.154 227 1HH2 ARG 26 HH21 ARG 26 65.615 13.366 9.998 228 2HH2 ARG 26 HH22 ARG 26 66.926 13.587 11.107 229 H LEU 27 HN LEU 27 68.415 7.773 5.010 230 HA LEU 27 HA LEU 27 71.310 8.151 5.122 231 1HB LEU 27 HB2 LEU 27 71.349 5.960 4.215 232 2HB LEU 27 HB1 LEU 27 69.887 5.989 5.201 233 HG LEU 27 HG LEU 27 68.738 6.762 2.982 234 1HD1 LEU 27 HD13 LEU 27 71.408 6.358 2.111 235 2HD1 LEU 27 HD12 LEU 27 70.442 5.055 1.419 236 3HD1 LEU 27 HD11 LEU 27 69.999 6.736 1.119 237 1HD2 LEU 27 HD23 LEU 27 68.700 4.481 4.320 238 2HD2 LEU 27 HD22 LEU 27 68.004 4.575 2.703 239 3HD2 LEU 27 HD21 LEU 27 69.616 3.899 2.930 240 H ALA 28 HN ALA 28 68.731 8.513 2.751 241 HA ALA 28 HA ALA 28 70.428 8.856 0.456 242 1HB ALA 28 HB2 ALA 28 68.023 8.171 0.511 243 2HB ALA 28 HB1 ALA 28 67.605 9.803 1.030 244 3HB ALA 28 HB3 ALA 28 68.309 9.538 -0.565 245 H MET 29 HN MET 29 68.943 11.118 2.778 246 HA MET 29 HA MET 29 69.835 13.484 1.369 247 1HB MET 29 HB2 MET 29 69.089 14.608 3.342 248 2HB MET 29 HB1 MET 29 68.052 13.186 3.235 249 1HG MET 29 HG2 MET 29 69.398 12.008 4.862 250 2HG MET 29 HG1 MET 29 70.599 13.298 4.872 251 1HE MET 29 HE1 MET 29 70.940 14.310 6.469 252 2HE MET 29 HE3 MET 29 69.978 15.764 6.769 253 3HE MET 29 HE2 MET 29 69.989 14.452 7.945 254 H LYS 30 HN LYS 30 71.233 11.183 3.578 255 HA LYS 30 HA LYS 30 73.681 12.796 4.007 256 1HB LYS 30 HB2 LYS 30 72.403 10.316 5.051 257 2HB LYS 30 HB1 LYS 30 74.164 10.386 5.124 258 1HG LYS 30 HG2 LYS 30 74.118 11.874 6.818 259 2HG LYS 30 HG1 LYS 30 72.962 12.900 5.969 260 1HD LYS 30 HD2 LYS 30 71.176 12.011 7.063 261 2HD LYS 30 HD1 LYS 30 71.832 10.374 6.995 262 1HE LYS 30 HE2 LYS 30 71.894 10.909 9.311 263 2HE LYS 30 HE1 LYS 30 73.550 11.242 8.768 264 1HZ LYS 30 HZ1 LYS 30 71.549 13.360 8.475 265 2HZ LYS 30 HZ3 LYS 30 72.149 13.060 10.033 266 3HZ LYS 30 HZ2 LYS 30 73.216 13.482 8.780 267 H TYR 31 HN TYR 31 72.463 10.403 1.812 268 HA TYR 31 HA TYR 31 75.239 9.676 0.966 269 1HB TYR 31 HB2 TYR 31 72.550 8.395 0.881 270 2HB TYR 31 HB1 TYR 31 73.668 8.016 -0.428 271 HD1 TYR 31 HD1 TYR 31 74.931 8.955 2.884 272 HD2 TYR 31 HD2 TYR 31 73.907 5.668 0.317 273 HE1 TYR 31 HE1 TYR 31 76.164 7.410 4.377 274 HE2 TYR 31 HE2 TYR 31 75.141 4.121 1.811 275 HH TYR 31 HH TYR 31 77.040 4.304 3.487 276 H HIS 32 HN HIS 32 73.159 11.969 0.275 277 HA HIS 32 HA HIS 32 72.672 11.989 -2.508 278 1HB HIS 32 HB2 HIS 32 72.325 14.354 -1.990 279 2HB HIS 32 HB1 HIS 32 71.788 13.376 -0.637 280 HD1 HIS 32 HD1 HIS 32 73.123 16.393 -0.629 281 HD2 HIS 32 HD2 HIS 32 74.802 12.819 0.706 282 HE1 HIS 32 HE1 HIS 32 74.921 17.030 1.036 283 HA PRO 33 HA PRO 33 76.439 13.212 -4.401 284 1HB PRO 33 HB2 PRO 33 76.950 15.906 -4.518 285 2HB PRO 33 HB1 PRO 33 75.786 15.073 -5.568 286 1HG PRO 33 HG2 PRO 33 75.304 16.680 -3.119 287 2HG PRO 33 HG1 PRO 33 74.365 16.590 -4.615 288 1HD PRO 33 HD2 PRO 33 73.675 15.364 -2.329 289 2HD PRO 33 HD1 PRO 33 73.215 14.752 -3.930 290 H ASP 34 HN ASP 34 76.781 12.438 -1.863 291 HA ASP 34 HA ASP 34 79.008 14.101 -0.750 292 1HB ASP 34 HB2 ASP 34 77.914 13.751 1.219 293 2HB ASP 34 HB1 ASP 34 76.671 12.858 0.354 294 H ARG 35 HN ARG 35 77.904 10.865 -1.648 295 HA ARG 35 HA ARG 35 80.734 10.024 -2.062 296 1HB ARG 35 HB2 ARG 35 80.113 7.870 -0.968 297 2HB ARG 35 HB1 ARG 35 79.956 9.236 0.138 298 1HG ARG 35 HG2 ARG 35 77.932 8.076 0.451 299 2HG ARG 35 HG1 ARG 35 77.491 9.330 -0.706 300 1HD ARG 35 HD2 ARG 35 76.828 7.732 -2.142 301 2HD ARG 35 HD1 ARG 35 78.494 7.123 -2.198 302 HE ARG 35 HE ARG 35 76.327 6.031 -0.537 303 1HH1 ARG 35 HH11 ARG 35 78.708 6.580 1.243 304 2HH1 ARG 35 HH12 ARG 35 79.581 5.088 1.131 305 1HH2 ARG 35 HH21 ARG 35 77.879 3.993 -1.681 306 2HH2 ARG 35 HH22 ARG 35 79.109 3.624 -0.519 307 H ASN 36 HN ASN 36 77.270 9.674 -2.800 308 HA ASN 36 HA ASN 36 77.160 7.542 -4.549 309 1HB ASN 36 HB2 ASN 36 75.861 10.153 -4.189 310 2HB ASN 36 HB1 ASN 36 75.736 9.534 -5.836 311 1HD2 ASN 36 HD22 ASN 36 73.118 8.107 -3.336 312 2HD2 ASN 36 HD21 ASN 36 73.780 9.669 -3.376 313 H GLN 37 HN GLN 37 78.844 10.585 -5.023 314 HA GLN 37 HA GLN 37 79.203 10.478 -7.866 315 1HB GLN 37 HB2 GLN 37 81.128 11.553 -5.785 316 2HB GLN 37 HB1 GLN 37 80.871 12.155 -7.423 317 1HG GLN 37 HG2 GLN 37 78.332 12.225 -6.275 318 2HG GLN 37 HG1 GLN 37 79.400 12.767 -4.982 319 1HE2 GLN 37 HE22 GLN 37 80.420 15.735 -6.735 320 2HE2 GLN 37 HE21 GLN 37 80.922 14.614 -5.564 321 H GLY 38 HN GLY 38 80.393 8.477 -5.372 322 1HA GLY 38 HA2 GLY 38 82.441 7.349 -7.236 323 2HA GLY 38 HA1 GLY 38 82.765 7.506 -5.507 324 H ASP 39 HN ASP 39 79.611 6.655 -6.753 325 HA ASP 39 HA ASP 39 78.993 4.544 -5.103 326 1HB ASP 39 HB2 ASP 39 77.704 3.707 -7.198 327 2HB ASP 39 HB1 ASP 39 77.366 5.338 -6.617 328 H LYS 40 HN LYS 40 80.291 2.824 -4.593 329 HA LYS 40 HA LYS 40 82.071 1.595 -6.600 330 1HB LYS 40 HB2 LYS 40 82.331 2.107 -3.987 331 2HB LYS 40 HB1 LYS 40 81.623 0.495 -3.863 332 1HG LYS 40 HG2 LYS 40 83.510 -0.513 -4.605 333 2HG LYS 40 HG1 LYS 40 83.739 0.674 -5.890 334 1HD LYS 40 HD2 LYS 40 84.225 1.545 -3.069 335 2HD LYS 40 HD1 LYS 40 85.437 0.523 -3.844 336 1HE LYS 40 HE2 LYS 40 84.660 2.531 -5.732 337 2HE LYS 40 HE1 LYS 40 85.050 3.331 -4.196 338 1HZ LYS 40 HZ2 LYS 40 86.723 1.198 -5.409 339 2HZ LYS 40 HZ1 LYS 40 87.021 2.856 -5.630 340 3HZ LYS 40 HZ3 LYS 40 87.109 2.180 -4.077 341 H GLU 41 HN GLU 41 79.049 0.910 -4.945 342 HA GLU 41 HA GLU 41 78.093 -0.998 -6.818 343 1HB GLU 41 HB2 GLU 41 78.577 -3.049 -5.290 344 2HB GLU 41 HB1 GLU 41 79.913 -2.426 -6.258 345 1HG GLU 41 HG2 GLU 41 80.837 -1.245 -4.389 346 2HG GLU 41 HG1 GLU 41 79.387 -1.514 -3.426 347 H ALA 42 HN ALA 42 78.298 -0.074 -3.397 348 HA ALA 42 HA ALA 42 75.800 -1.154 -2.512 349 1HB ALA 42 HB2 ALA 42 77.784 -0.090 -1.226 350 2HB ALA 42 HB1 ALA 42 77.040 1.460 -1.620 351 3HB ALA 42 HB3 ALA 42 76.163 0.284 -0.641 352 H GLU 43 HN GLU 43 76.592 1.346 -4.707 353 HA GLU 43 HA GLU 43 74.790 3.386 -4.649 354 1HB GLU 43 HB2 GLU 43 76.261 2.727 -6.560 355 2HB GLU 43 HB1 GLU 43 75.091 1.475 -6.977 356 1HG GLU 43 HG2 GLU 43 73.697 2.949 -7.952 357 2HG GLU 43 HG1 GLU 43 73.834 4.086 -6.609 358 H ALA 44 HN ALA 44 73.961 0.203 -5.967 359 HA ALA 44 HA ALA 44 71.296 0.665 -6.486 360 1HB ALA 44 HB2 ALA 44 73.046 -1.418 -6.646 361 2HB ALA 44 HB1 ALA 44 71.971 -1.996 -5.373 362 3HB ALA 44 HB3 ALA 44 71.318 -1.580 -6.958 363 H LYS 45 HN LYS 45 72.573 -0.804 -3.459 364 HA LYS 45 HA LYS 45 70.184 -1.066 -2.050 365 1HB LYS 45 HB2 LYS 45 72.253 -1.769 -1.069 366 2HB LYS 45 HB1 LYS 45 72.932 -0.137 -1.173 367 1HG LYS 45 HG2 LYS 45 71.323 0.686 0.460 368 2HG LYS 45 HG1 LYS 45 70.503 -0.875 0.491 369 1HD LYS 45 HD2 LYS 45 72.209 -1.908 1.684 370 2HD LYS 45 HD1 LYS 45 73.437 -0.784 1.102 371 1HE LYS 45 HE2 LYS 45 73.199 0.384 3.029 372 2HE LYS 45 HE1 LYS 45 71.534 0.764 2.546 373 1HZ LYS 45 HZ2 LYS 45 70.985 -1.566 3.324 374 2HZ LYS 45 HZ1 LYS 45 72.502 -1.573 4.089 375 3HZ LYS 45 HZ3 LYS 45 71.329 -0.433 4.542 376 H PHE 46 HN PHE 46 71.824 1.881 -2.998 377 HA PHE 46 HA PHE 46 70.412 3.633 -1.160 378 1HB PHE 46 HB2 PHE 46 71.723 4.267 -3.820 379 2HB PHE 46 HB1 PHE 46 71.444 5.382 -2.486 380 HD1 PHE 46 HD1 PHE 46 72.151 2.743 -0.593 381 HD2 PHE 46 HD2 PHE 46 74.143 5.125 -3.562 382 HE1 PHE 46 HE1 PHE 46 74.348 2.130 0.386 383 HE2 PHE 46 HE2 PHE 46 76.335 4.510 -2.584 384 HZ PHE 46 HZ PHE 46 76.439 3.013 -0.609 385 H LYS 47 HN LYS 47 70.028 2.912 -4.674 386 HA LYS 47 HA LYS 47 67.438 4.353 -4.635 387 1HB LYS 47 HB2 LYS 47 67.853 4.543 -6.872 388 2HB LYS 47 HB1 LYS 47 69.455 3.922 -6.494 389 1HG LYS 47 HG2 LYS 47 67.070 2.205 -7.243 390 2HG LYS 47 HG1 LYS 47 68.365 2.668 -8.347 391 1HD LYS 47 HD2 LYS 47 69.757 1.670 -6.181 392 2HD LYS 47 HD1 LYS 47 68.343 0.617 -6.248 393 1HE LYS 47 HE2 LYS 47 70.285 1.179 -8.519 394 2HE LYS 47 HE1 LYS 47 70.021 -0.371 -7.696 395 1HZ LYS 47 HZ1 LYS 47 67.518 0.362 -8.377 396 2HZ LYS 47 HZ3 LYS 47 68.405 0.937 -9.704 397 3HZ LYS 47 HZ2 LYS 47 68.485 -0.706 -9.277 398 H GLU 48 HN GLU 48 68.614 1.238 -4.034 399 HA GLU 48 HA GLU 48 66.481 -0.444 -4.954 400 1HB GLU 48 HB2 GLU 48 68.610 -0.464 -2.825 401 2HB GLU 48 HB1 GLU 48 67.389 -1.732 -2.817 402 1HG GLU 48 HG2 GLU 48 68.710 -1.111 -5.417 403 2HG GLU 48 HG1 GLU 48 69.663 -1.972 -4.209 404 H ILE 49 HN ILE 49 67.090 1.563 -2.197 405 HA ILE 49 HA ILE 49 64.945 0.856 -0.465 406 HB ILE 49 HB ILE 49 66.344 3.459 -1.087 407 1HG1 ILE 49 HG12 ILE 49 66.860 1.901 1.376 408 2HG1 ILE 49 HG11 ILE 49 67.412 1.174 -0.133 409 1HG2 ILE 49 HG21 ILE 49 64.220 3.865 0.085 410 2HG2 ILE 49 HG23 ILE 49 64.703 2.720 1.336 411 3HG2 ILE 49 HG22 ILE 49 65.605 4.218 1.117 412 1HD1 ILE 49 HD13 ILE 49 68.056 4.009 0.711 413 2HD1 ILE 49 HD12 ILE 49 69.134 2.635 0.961 414 3HD1 ILE 49 HD11 ILE 49 68.710 3.138 -0.673 415 H LYS 50 HN LYS 50 65.199 3.311 -2.991 416 HA LYS 50 HA LYS 50 62.698 4.514 -2.926 417 1HB LYS 50 HB2 LYS 50 64.793 4.581 -4.581 418 2HB LYS 50 HB1 LYS 50 63.762 3.539 -5.561 419 1HG LYS 50 HG2 LYS 50 61.951 5.415 -4.930 420 2HG LYS 50 HG1 LYS 50 63.407 6.405 -4.824 421 1HD LYS 50 HD2 LYS 50 64.048 5.473 -7.112 422 2HD LYS 50 HD1 LYS 50 62.405 4.836 -7.207 423 1HE LYS 50 HE2 LYS 50 61.458 7.064 -7.028 424 2HE LYS 50 HE1 LYS 50 63.058 7.763 -6.714 425 1HZ LYS 50 HZ2 LYS 50 62.665 6.090 -9.098 426 2HZ LYS 50 HZ1 LYS 50 62.128 7.701 -9.134 427 3HZ LYS 50 HZ3 LYS 50 63.764 7.361 -8.845 428 H GLU 51 HN GLU 51 63.507 1.255 -4.049 429 HA GLU 51 HA GLU 51 61.167 0.488 -5.408 430 1HB GLU 51 HB2 GLU 51 63.400 -0.729 -4.864 431 2HB GLU 51 HB1 GLU 51 62.589 -1.244 -3.385 432 1HG GLU 51 HG2 GLU 51 60.958 -2.474 -4.558 433 2HG GLU 51 HG1 GLU 51 61.276 -1.624 -6.071 434 H ALA 52 HN ALA 52 61.786 0.692 -1.926 435 HA ALA 52 HA ALA 52 59.690 -0.539 -0.659 436 1HB ALA 52 HB1 ALA 52 61.497 1.014 0.226 437 2HB ALA 52 HB3 ALA 52 60.478 2.368 -0.260 438 3HB ALA 52 HB2 ALA 52 59.915 1.240 0.972 439 H TYR 53 HN TYR 53 59.430 2.419 -2.614 440 HA TYR 53 HA TYR 53 56.746 3.082 -1.980 441 1HB TYR 53 HB2 TYR 53 58.277 3.406 -4.582 442 2HB TYR 53 HB1 TYR 53 56.919 4.400 -4.037 443 HD1 TYR 53 HD1 TYR 53 57.544 4.510 -1.126 444 HD2 TYR 53 HD2 TYR 53 60.081 5.019 -4.543 445 HE1 TYR 53 HE1 TYR 53 59.084 5.874 0.245 446 HE2 TYR 53 HE2 TYR 53 61.628 6.397 -3.179 447 HH TYR 53 HH TYR 53 61.194 7.916 -0.866 448 H GLU 54 HN GLU 54 58.045 0.569 -4.096 449 HA GLU 54 HA GLU 54 55.667 0.002 -5.599 450 1HB GLU 54 HB2 GLU 54 57.577 -2.087 -4.530 451 2HB GLU 54 HB1 GLU 54 56.742 -2.065 -6.083 452 1HG GLU 54 HG2 GLU 54 58.282 0.311 -5.914 453 2HG GLU 54 HG1 GLU 54 59.322 -1.032 -5.440 454 H VAL 55 HN VAL 55 56.455 -0.324 -2.265 455 HA VAL 55 HA VAL 55 54.154 -2.143 -1.910 456 HB VAL 55 HB VAL 55 55.429 -3.262 -0.415 457 1HG1 VAL 55 HG11 VAL 55 57.225 -2.298 -2.068 458 2HG1 VAL 55 HG13 VAL 55 57.728 -1.380 -0.649 459 3HG1 VAL 55 HG12 VAL 55 57.720 -3.139 -0.604 460 1HG2 VAL 55 HG21 VAL 55 54.804 -1.367 1.208 461 2HG2 VAL 55 HG23 VAL 55 56.171 -2.407 1.597 462 3HG2 VAL 55 HG22 VAL 55 56.452 -0.814 0.928 463 H LEU 56 HN LEU 56 55.680 0.505 -0.080 464 HA LEU 56 HA LEU 56 53.275 1.178 1.350 465 1HB LEU 56 HB2 LEU 56 54.649 3.557 1.270 466 2HB LEU 56 HB1 LEU 56 54.956 2.259 2.422 467 HG LEU 56 HG LEU 56 56.323 2.123 -0.233 468 1HD1 LEU 56 HD13 LEU 56 57.159 3.924 2.038 469 2HD1 LEU 56 HD12 LEU 56 58.128 3.561 0.609 470 3HD1 LEU 56 HD11 LEU 56 56.616 4.456 0.451 471 1HD2 LEU 56 HD22 LEU 56 56.342 0.614 2.050 472 2HD2 LEU 56 HD21 LEU 56 57.680 0.666 0.906 473 3HD2 LEU 56 HD23 LEU 56 57.706 1.676 2.343 474 H THR 57 HN THR 57 54.620 2.504 -1.693 475 HA THR 57 HA THR 57 52.189 4.189 -1.989 476 HB THR 57 HB THR 57 53.438 5.353 -3.619 477 HG1 THR 57 HG1 THR 57 55.183 4.428 -4.684 478 1HG2 THR 57 HG23 THR 57 55.350 4.218 -1.566 479 2HG2 THR 57 HG22 THR 57 55.782 5.527 -2.665 480 3HG2 THR 57 HG21 THR 57 54.480 5.749 -1.497 481 H ASP 58 HN ASP 58 52.747 1.045 -2.470 482 HA ASP 58 HA ASP 58 50.793 0.853 -4.669 483 1HB ASP 58 HB2 ASP 58 53.637 0.538 -5.008 484 2HB ASP 58 HB1 ASP 58 52.858 -1.030 -5.229 485 H SER 59 HN SER 59 49.408 -0.694 -4.189 486 HA SER 59 HA SER 59 49.620 -2.162 -1.776 487 1HB SER 59 HB2 SER 59 47.601 -1.345 -3.203 488 2HB SER 59 HB1 SER 59 47.781 -2.887 -4.032 489 HG SER 59 HG SER 59 46.878 -3.798 -2.379 490 H GLN 60 HN GLN 60 51.412 -2.812 -4.455 491 HA GLN 60 HA GLN 60 50.958 -5.671 -4.750 492 1HB GLN 60 HB2 GLN 60 52.067 -3.728 -6.249 493 2HB GLN 60 HB1 GLN 60 53.531 -4.382 -5.514 494 1HG GLN 60 HG2 GLN 60 52.359 -6.697 -6.183 495 2HG GLN 60 HG1 GLN 60 51.633 -5.666 -7.417 496 1HE2 GLN 60 HE22 GLN 60 55.414 -6.870 -7.911 497 2HE2 GLN 60 HE21 GLN 60 54.354 -7.554 -6.776 498 H LYS 61 HN LYS 61 53.891 -3.943 -3.624 499 HA LYS 61 HA LYS 61 54.977 -6.277 -2.301 500 1HB LYS 61 HB2 LYS 61 55.593 -3.356 -2.502 501 2HB LYS 61 HB1 LYS 61 56.487 -4.371 -1.376 502 1HG LYS 61 HG2 LYS 61 57.269 -3.942 -3.905 503 2HG LYS 61 HG1 LYS 61 57.631 -5.422 -3.024 504 1HD LYS 61 HD2 LYS 61 55.824 -6.602 -4.085 505 2HD LYS 61 HD1 LYS 61 55.152 -5.108 -4.739 506 1HE LYS 61 HE2 LYS 61 57.942 -6.019 -5.473 507 2HE LYS 61 HE1 LYS 61 56.515 -6.551 -6.382 508 1HZ LYS 61 HZ2 LYS 61 55.987 -3.963 -6.124 509 2HZ LYS 61 HZ1 LYS 61 57.685 -3.895 -6.166 510 3HZ LYS 61 HZ3 LYS 61 56.832 -4.600 -7.452 511 H ARG 62 HN ARG 62 53.227 -3.410 -1.075 512 HA ARG 62 HA ARG 62 53.659 -4.016 1.703 513 1HB ARG 62 HB2 ARG 62 51.816 -2.408 2.023 514 2HB ARG 62 HB1 ARG 62 52.920 -1.825 0.777 515 1HG ARG 62 HG2 ARG 62 51.281 -1.838 -0.753 516 2HG ARG 62 HG1 ARG 62 50.909 -3.522 -0.407 517 1HD ARG 62 HD2 ARG 62 48.910 -2.632 0.314 518 2HD ARG 62 HD1 ARG 62 49.834 -2.310 1.795 519 HE ARG 62 HE ARG 62 49.456 -0.318 -0.408 520 1HH1 ARG 62 HH21 ARG 62 51.044 1.397 0.413 521 2HH1 ARG 62 HH22 ARG 62 50.745 1.882 2.050 522 1HH2 ARG 62 HH11 ARG 62 48.696 -0.826 2.757 523 2HH2 ARG 62 HH12 ARG 62 49.416 0.621 3.377 524 H ALA 63 HN ALA 63 51.530 -5.242 -0.726 525 HA ALA 63 HA ALA 63 49.741 -6.594 1.205 526 1HB ALA 63 HB3 ALA 63 49.977 -6.643 -1.829 527 2HB ALA 63 HB2 ALA 63 48.659 -7.364 -0.907 528 3HB ALA 63 HB1 ALA 63 48.882 -5.615 -0.907 529 H ALA 64 HN ALA 64 52.563 -7.094 -0.724 530 HA ALA 64 HA ALA 64 52.533 -10.033 -0.535 531 1HB ALA 64 HB3 ALA 64 53.722 -8.025 -2.121 532 2HB ALA 64 HB2 ALA 64 55.056 -8.744 -1.221 533 3HB ALA 64 HB1 ALA 64 54.027 -9.758 -2.233 534 H TYR 65 HN TYR 65 54.310 -7.246 0.817 535 HA TYR 65 HA TYR 65 56.022 -8.729 2.571 536 1HB TYR 65 HB2 TYR 65 55.932 -6.235 1.750 537 2HB TYR 65 HB1 TYR 65 54.888 -6.005 3.157 538 HD1 TYR 65 HD2 TYR 65 55.763 -7.145 5.395 539 HD2 TYR 65 HD1 TYR 65 58.248 -6.007 2.085 540 HE1 TYR 65 HE2 TYR 65 57.736 -7.089 6.895 541 HE2 TYR 65 HE1 TYR 65 60.222 -5.947 3.584 542 HH TYR 65 HH TYR 65 60.038 -5.828 6.854 543 H ASP 66 HN ASP 66 53.021 -6.896 3.357 544 HA ASP 66 HA ASP 66 52.698 -7.531 6.025 545 1HB ASP 66 HB2 ASP 66 50.495 -6.877 5.690 546 2HB ASP 66 HB1 ASP 66 51.211 -6.303 4.188 547 H GLN 67 HN GLN 67 52.333 -9.742 3.310 548 HA GLN 67 HA GLN 67 51.476 -11.903 5.199 549 1HB GLN 67 HB2 GLN 67 51.296 -11.637 2.178 550 2HB GLN 67 HB1 GLN 67 50.663 -12.990 3.117 551 1HG GLN 67 HG2 GLN 67 49.417 -11.078 4.451 552 2HG GLN 67 HG1 GLN 67 49.676 -10.163 2.966 553 1HE2 GLN 67 HE22 GLN 67 46.478 -11.769 2.295 554 2HE2 GLN 67 HE21 GLN 67 47.112 -10.430 3.124 555 H TYR 68 HN TYR 68 54.257 -10.706 4.052 556 HA TYR 68 HA TYR 68 56.375 -11.624 3.512 557 1HB TYR 68 HB2 TYR 68 54.964 -13.513 5.377 558 2HB TYR 68 HB1 TYR 68 56.574 -13.926 4.778 559 HD1 TYR 68 HD1 TYR 68 54.609 -11.529 6.785 560 HD2 TYR 68 HD2 TYR 68 58.533 -12.644 5.436 561 HE1 TYR 68 HE1 TYR 68 55.618 -10.003 8.459 562 HE2 TYR 68 HE2 TYR 68 59.541 -11.117 7.111 563 HH TYR 68 HH TYR 68 58.078 -8.711 8.518 564 H GLY 69 HN GLY 69 54.126 -12.165 1.622 565 1HA GLY 69 HA2 GLY 69 54.385 -13.311 -0.508 566 2HA GLY 69 HA1 GLY 69 55.311 -14.566 0.320 567 H HIS 70 HN HIS 70 53.329 -15.528 -1.217 568 HA HIS 70 HA HIS 70 50.813 -15.738 0.279 569 1HB HIS 70 HB2 HIS 70 50.117 -17.012 -1.651 570 2HB HIS 70 HB1 HIS 70 51.128 -15.692 -2.250 571 HD1 HIS 70 HD1 HIS 70 51.226 -19.406 -1.551 572 HD2 HIS 70 HD2 HIS 70 53.547 -16.506 -3.444 573 HE1 HIS 70 HE1 HIS 70 53.059 -20.647 -2.781 574 H ALA 71 HN ALA 71 53.703 -16.968 0.990 575 HA ALA 71 HA ALA 71 53.045 -19.815 1.295 576 1HB ALA 71 HB1 ALA 71 55.313 -18.893 0.767 577 2HB ALA 71 HB3 ALA 71 55.341 -18.140 2.361 578 3HB ALA 71 HB2 ALA 71 55.311 -19.897 2.217 579 H ALA 72 HN ALA 72 52.961 -16.900 3.253 580 HA ALA 72 HA ALA 72 52.667 -18.355 5.790 581 1HB ALA 72 HB3 ALA 72 53.374 -15.777 4.895 582 2HB ALA 72 HB2 ALA 72 51.875 -15.565 5.800 583 3HB ALA 72 HB1 ALA 72 53.271 -16.320 6.570 584 H PHE 73 HN PHE 73 50.606 -17.417 3.222 585 HA PHE 73 HA PHE 73 48.214 -18.008 4.920 586 1HB PHE 73 HB2 PHE 73 48.935 -15.574 3.362 587 2HB PHE 73 HB1 PHE 73 47.250 -16.099 3.269 588 HD1 PHE 73 HD1 PHE 73 46.799 -17.267 5.927 589 HD2 PHE 73 HD2 PHE 73 48.942 -13.717 4.808 590 HE1 PHE 73 HE1 PHE 73 46.377 -16.304 8.173 591 HE2 PHE 73 HE2 PHE 73 48.519 -12.754 7.054 592 HZ PHE 73 HZ PHE 73 47.237 -14.047 8.737 593 H GLU 74 HN GLU 74 49.687 -17.873 1.697 594 HA GLU 74 HA GLU 74 49.232 -19.158 -0.232 595 1HB GLU 74 HB2 GLU 74 47.353 -20.709 1.564 596 2HB GLU 74 HB1 GLU 74 48.257 -21.301 0.171 597 1HG GLU 74 HG2 GLU 74 50.280 -20.339 1.743 598 2HG GLU 74 HG1 GLU 74 49.144 -20.916 2.962 599 H GLN 75 HN GLN 75 47.369 -19.650 -1.746 600 HA GLN 75 HA GLN 75 45.394 -17.486 -1.633 601 1HB GLN 75 HB2 GLN 75 46.585 -19.330 -3.540 602 2HB GLN 75 HB1 GLN 75 44.836 -19.249 -3.751 603 1HG GLN 75 HG2 GLN 75 45.895 -16.599 -3.293 604 2HG GLN 75 HG1 GLN 75 46.747 -17.366 -4.633 605 1HE2 GLN 75 HE22 GLN 75 44.070 -16.782 -6.821 606 2HE2 GLN 75 HE21 GLN 75 45.743 -16.950 -6.592 607 H GLY 76 HN GLY 76 45.373 -21.036 -1.354 608 1HA GLY 76 HA2 GLY 76 43.747 -22.448 -0.409 609 2HA GLY 76 HA1 GLY 76 42.950 -21.005 0.220 610 H GLY 77 HN GLY 77 40.926 -22.132 -0.433 611 1HA GLY 77 HA2 GLY 77 39.175 -21.481 -2.082 612 2HA GLY 77 HA1 GLY 77 40.383 -21.717 -3.346 No H/Q in entry = 612 Start of MODEL 5 1 1H ALA 1 HT2 ALA 1 61.868 -12.624 -1.447 2 2H ALA 1 HT1 ALA 1 62.853 -13.817 -2.149 3 3H ALA 1 HT3 ALA 1 61.200 -14.116 -1.910 4 HA ALA 1 HA ALA 1 61.428 -14.321 0.398 5 1HB ALA 1 HB1 ALA 1 63.483 -15.549 -1.381 6 2HB ALA 1 HB3 ALA 1 63.696 -15.776 0.355 7 3HB ALA 1 HB2 ALA 1 62.216 -16.324 -0.430 8 H LYS 2 HN LYS 2 64.749 -13.597 -0.757 9 HA LYS 2 HA LYS 2 65.430 -12.363 1.819 10 1HB LYS 2 HB2 LYS 2 66.732 -13.608 -0.360 11 2HB LYS 2 HB1 LYS 2 67.333 -11.948 -0.322 12 1HG LYS 2 HG2 LYS 2 67.386 -12.551 2.331 13 2HG LYS 2 HG1 LYS 2 67.710 -14.139 1.637 14 1HD LYS 2 HD2 LYS 2 69.853 -13.481 1.395 15 2HD LYS 2 HD1 LYS 2 69.286 -12.388 0.131 16 1HE LYS 2 HE2 LYS 2 70.334 -10.871 1.570 17 2HE LYS 2 HE1 LYS 2 68.683 -10.843 2.226 18 1HZ LYS 2 HZ2 LYS 2 70.443 -12.984 3.142 19 2HZ LYS 2 HZ1 LYS 2 70.778 -11.424 3.728 20 3HZ LYS 2 HZ3 LYS 2 69.254 -12.118 3.994 21 H GLN 3 HN GLN 3 66.981 -10.216 1.178 22 HA GLN 3 HA GLN 3 66.898 -7.920 0.623 23 1HB GLN 3 HB2 GLN 3 64.884 -8.838 -1.447 24 2HB GLN 3 HB1 GLN 3 65.956 -7.441 -1.539 25 1HG GLN 3 HG2 GLN 3 67.866 -9.211 -1.279 26 2HG GLN 3 HG1 GLN 3 66.635 -10.358 -1.806 27 1HE2 GLN 3 HE22 GLN 3 67.603 -7.354 -4.458 28 2HE2 GLN 3 HE21 GLN 3 67.575 -7.006 -2.796 29 H ASP 4 HN ASP 4 65.860 -6.599 2.057 30 HA ASP 4 HA ASP 4 62.867 -6.784 2.255 31 1HB ASP 4 HB2 ASP 4 63.567 -5.634 4.582 32 2HB ASP 4 HB1 ASP 4 63.521 -7.383 4.393 33 H TYR 5 HN TYR 5 61.750 -4.997 1.902 34 HA TYR 5 HA TYR 5 63.300 -2.527 1.364 35 1HB TYR 5 HB2 TYR 5 60.555 -2.368 0.525 36 2HB TYR 5 HB1 TYR 5 62.019 -2.373 -0.452 37 HD1 TYR 5 HD2 TYR 5 62.927 -4.412 -1.400 38 HD2 TYR 5 HD1 TYR 5 59.314 -4.422 0.912 39 HE1 TYR 5 HE2 TYR 5 62.388 -6.682 -2.259 40 HE2 TYR 5 HE1 TYR 5 58.765 -6.691 0.053 41 HH TYR 5 HH TYR 5 59.951 -8.002 -2.547 42 H TYR 6 HN TYR 6 60.622 -3.850 3.269 43 HA TYR 6 HA TYR 6 59.850 -1.313 4.427 44 1HB TYR 6 HB2 TYR 6 59.546 -4.218 5.128 45 2HB TYR 6 HB1 TYR 6 59.048 -2.969 6.273 46 HD1 TYR 6 HD2 TYR 6 57.378 -1.246 5.602 47 HD2 TYR 6 HD1 TYR 6 58.268 -4.639 3.123 48 HE1 TYR 6 HE2 TYR 6 55.293 -0.857 4.321 49 HE2 TYR 6 HE1 TYR 6 56.178 -4.245 1.838 50 HH TYR 6 HH TYR 6 54.583 -2.604 1.396 51 H GLU 7 HN GLU 7 62.472 -3.538 4.737 52 HA GLU 7 HA GLU 7 63.478 -2.382 7.274 53 1HB GLU 7 HB2 GLU 7 63.595 -4.841 6.633 54 2HB GLU 7 HB1 GLU 7 64.716 -4.384 5.350 55 1HG GLU 7 HG2 GLU 7 66.430 -4.282 6.806 56 2HG GLU 7 HG1 GLU 7 65.529 -3.188 7.855 57 H ILE 8 HN ILE 8 63.926 -2.256 3.786 58 HA ILE 8 HA ILE 8 66.414 -1.090 3.413 59 HB ILE 8 HB ILE 8 63.758 -1.024 2.151 60 1HG1 ILE 8 HG12 ILE 8 66.551 -1.021 0.982 61 2HG1 ILE 8 HG11 ILE 8 65.714 -2.474 1.521 62 1HG2 ILE 8 HG22 ILE 8 64.258 1.437 2.350 63 2HG2 ILE 8 HG21 ILE 8 65.692 1.159 1.371 64 3HG2 ILE 8 HG23 ILE 8 64.090 0.853 0.701 65 1HD1 ILE 8 HD13 ILE 8 63.800 -1.528 -0.072 66 2HD1 ILE 8 HD12 ILE 8 65.170 -0.743 -0.847 67 3HD1 ILE 8 HD11 ILE 8 65.124 -2.497 -0.712 68 H LEU 9 HN LEU 9 63.397 0.476 4.267 69 HA LEU 9 HA LEU 9 64.610 3.115 4.821 70 1HB LEU 9 HB2 LEU 9 61.888 1.799 4.967 71 2HB LEU 9 HB1 LEU 9 62.137 3.471 5.457 72 HG LEU 9 HG LEU 9 61.564 3.825 3.279 73 1HD1 LEU 9 HD13 LEU 9 64.483 3.112 3.001 74 2HD1 LEU 9 HD12 LEU 9 63.551 3.973 1.778 75 3HD1 LEU 9 HD11 LEU 9 63.810 4.700 3.363 76 1HD2 LEU 9 HD21 LEU 9 62.154 0.998 3.037 77 2HD2 LEU 9 HD23 LEU 9 60.971 1.975 2.171 78 3HD2 LEU 9 HD22 LEU 9 62.634 1.897 1.598 79 H GLY 10 HN GLY 10 63.775 0.196 6.486 80 1HA GLY 10 HA2 GLY 10 64.385 -0.356 8.729 81 2HA GLY 10 HA1 GLY 10 64.671 1.361 9.044 82 H VAL 11 HN VAL 11 61.788 0.666 7.328 83 HA VAL 11 HA VAL 11 60.187 1.536 9.664 84 HB VAL 11 HB VAL 11 58.676 0.752 7.311 85 1HG1 VAL 11 HG13 VAL 11 59.126 3.182 8.986 86 2HG1 VAL 11 HG12 VAL 11 58.282 3.346 7.447 87 3HG1 VAL 11 HG11 VAL 11 57.641 2.278 8.695 88 1HG2 VAL 11 HG21 VAL 11 61.156 2.355 6.855 89 2HG2 VAL 11 HG23 VAL 11 60.329 1.224 5.783 90 3HG2 VAL 11 HG22 VAL 11 59.681 2.846 6.024 91 H SER 12 HN SER 12 57.862 0.309 9.495 92 HA SER 12 HA SER 12 58.420 -2.451 10.311 93 1HB SER 12 HB2 SER 12 55.834 -0.897 10.063 94 2HB SER 12 HB1 SER 12 56.066 -2.387 10.975 95 HG SER 12 HG SER 12 56.722 0.210 11.600 96 H LYS 13 HN LYS 13 57.739 -4.308 9.153 97 HA LYS 13 HA LYS 13 57.672 -4.245 6.360 98 1HB LYS 13 HB2 LYS 13 56.641 -6.471 6.571 99 2HB LYS 13 HB1 LYS 13 57.966 -6.243 7.713 100 1HG LYS 13 HG2 LYS 13 56.006 -5.367 9.283 101 2HG LYS 13 HG1 LYS 13 55.022 -6.387 8.236 102 1HD LYS 13 HD2 LYS 13 56.154 -8.345 8.860 103 2HD LYS 13 HD1 LYS 13 57.570 -7.459 9.425 104 1HE LYS 13 HE2 LYS 13 55.163 -6.668 10.880 105 2HE LYS 13 HE1 LYS 13 55.505 -8.401 11.046 106 1HZ LYS 13 HZ3 LYS 13 57.666 -6.397 11.227 107 2HZ LYS 13 HZ2 LYS 13 56.736 -6.792 12.593 108 3HZ LYS 13 HZ1 LYS 13 57.647 -7.991 11.808 109 H THR 14 HN THR 14 55.236 -3.353 8.618 110 HA THR 14 HA THR 14 53.172 -3.232 6.471 111 HB THR 14 HB THR 14 51.611 -3.382 8.245 112 HG1 THR 14 HG1 THR 14 51.943 -2.345 10.026 113 1HG2 THR 14 HG21 THR 14 53.190 -5.390 7.944 114 2HG2 THR 14 HG23 THR 14 53.974 -4.848 9.427 115 3HG2 THR 14 HG22 THR 14 52.275 -5.321 9.449 116 H ALA 15 HN ALA 15 55.571 -1.314 7.350 117 HA ALA 15 HA ALA 15 54.620 1.140 8.315 118 1HB ALA 15 HB3 ALA 15 56.952 0.414 7.878 119 2HB ALA 15 HB2 ALA 15 56.650 0.575 6.148 120 3HB ALA 15 HB1 ALA 15 56.600 1.994 7.188 121 H GLU 16 HN GLU 16 55.469 2.710 5.952 122 HA GLU 16 HA GLU 16 53.389 2.329 3.912 123 1HB GLU 16 HB2 GLU 16 53.459 4.789 5.695 124 2HB GLU 16 HB1 GLU 16 52.310 4.473 4.392 125 1HG GLU 16 HG2 GLU 16 51.600 2.394 5.642 126 2HG GLU 16 HG1 GLU 16 52.591 2.948 6.994 127 H GLU 17 HN GLU 17 53.677 5.289 3.320 128 HA GLU 17 HA GLU 17 56.199 5.066 1.791 129 1HB GLU 17 HB2 GLU 17 54.161 7.304 1.824 130 2HB GLU 17 HB1 GLU 17 55.277 6.881 0.527 131 1HG GLU 17 HG2 GLU 17 54.076 4.569 0.563 132 2HG GLU 17 HG1 GLU 17 52.802 5.424 1.432 133 H ARG 18 HN ARG 18 54.793 7.886 3.441 134 HA ARG 18 HA ARG 18 56.943 9.511 3.805 135 1HB ARG 18 HB2 ARG 18 55.780 10.140 5.993 136 2HB ARG 18 HB1 ARG 18 54.762 10.119 4.553 137 1HG ARG 18 HG2 ARG 18 54.313 7.619 5.228 138 2HG ARG 18 HG1 ARG 18 54.870 8.143 6.815 139 1HD ARG 18 HD2 ARG 18 52.694 9.601 5.282 140 2HD ARG 18 HD1 ARG 18 52.360 8.335 6.482 141 HE ARG 18 HE ARG 18 53.682 10.944 7.070 142 1HH1 ARG 18 HH21 ARG 18 52.994 7.774 8.151 143 2HH1 ARG 18 HH22 ARG 18 52.632 8.252 9.776 144 1HH2 ARG 18 HH11 ARG 18 52.922 11.644 9.131 145 2HH2 ARG 18 HH12 ARG 18 52.588 10.440 10.329 146 H GLU 19 HN GLU 19 56.166 6.963 6.210 147 HA GLU 19 HA GLU 19 58.472 7.406 7.821 148 1HB GLU 19 HB2 GLU 19 57.833 5.040 8.589 149 2HB GLU 19 HB1 GLU 19 56.583 6.264 8.738 150 1HG GLU 19 HG2 GLU 19 56.401 5.146 6.117 151 2HG GLU 19 HG1 GLU 19 56.501 3.817 7.266 152 H ILE 20 HN ILE 20 57.881 5.739 4.856 153 HA ILE 20 HA ILE 20 60.398 4.203 4.966 154 HB ILE 20 HB ILE 20 57.895 4.276 3.469 155 1HG1 ILE 20 HG12 ILE 20 59.050 1.931 2.829 156 2HG1 ILE 20 HG11 ILE 20 60.032 2.357 4.224 157 1HG2 ILE 20 HG22 ILE 20 60.425 4.511 1.928 158 2HG2 ILE 20 HG21 ILE 20 59.299 3.279 1.391 159 3HG2 ILE 20 HG23 ILE 20 58.786 4.962 1.467 160 1HD1 ILE 20 HD12 ILE 20 57.598 2.929 5.227 161 2HD1 ILE 20 HD11 ILE 20 57.138 1.676 4.075 162 3HD1 ILE 20 HD13 ILE 20 58.310 1.320 5.341 163 H ARG 21 HN ARG 21 58.956 6.877 3.047 164 HA ARG 21 HA ARG 21 61.404 7.467 1.636 165 1HB ARG 21 HB2 ARG 21 60.223 9.398 0.880 166 2HB ARG 21 HB1 ARG 21 58.965 8.196 1.149 167 1HG ARG 21 HG2 ARG 21 58.118 10.149 2.163 168 2HG ARG 21 HG1 ARG 21 58.763 9.222 3.510 169 1HD ARG 21 HD2 ARG 21 60.038 11.026 4.037 170 2HD ARG 21 HD1 ARG 21 60.928 10.764 2.523 171 HE ARG 21 HE ARG 21 58.391 12.076 2.037 172 1HH1 ARG 21 HH11 ARG 21 60.152 13.458 4.271 173 2HH1 ARG 21 HH12 ARG 21 60.871 14.712 3.316 174 1HH2 ARG 21 HH21 ARG 21 59.952 13.294 0.287 175 2HH2 ARG 21 HH22 ARG 21 60.755 14.620 1.058 176 H LYS 22 HN LYS 22 59.975 8.555 4.670 177 HA LYS 22 HA LYS 22 61.749 10.566 5.477 178 1HB LYS 22 HB2 LYS 22 59.845 10.093 6.812 179 2HB LYS 22 HB1 LYS 22 60.185 8.363 6.829 180 1HG LYS 22 HG2 LYS 22 60.696 9.589 9.001 181 2HG LYS 22 HG1 LYS 22 62.026 8.641 8.336 182 1HD LYS 22 HD2 LYS 22 63.053 10.686 8.875 183 2HD LYS 22 HD1 LYS 22 62.719 10.858 7.154 184 1HE LYS 22 HE2 LYS 22 61.204 12.530 7.503 185 2HE LYS 22 HE1 LYS 22 60.487 11.702 8.899 186 1HZ LYS 22 HZ1 LYS 22 63.215 12.824 9.031 187 2HZ LYS 22 HZ3 LYS 22 61.865 13.803 9.342 188 3HZ LYS 22 HZ2 LYS 22 62.164 12.437 10.307 189 H ALA 23 HN ALA 23 61.992 7.050 5.893 190 HA ALA 23 HA ALA 23 64.560 7.012 7.168 191 1HB ALA 23 HB1 ALA 23 62.617 5.181 5.913 192 2HB ALA 23 HB3 ALA 23 64.278 4.590 5.935 193 3HB ALA 23 HB2 ALA 23 63.477 5.026 7.445 194 H TYR 24 HN TYR 24 63.595 7.038 3.749 195 HA TYR 24 HA TYR 24 66.294 6.432 2.802 196 1HB TYR 24 HB2 TYR 24 64.219 5.743 1.605 197 2HB TYR 24 HB1 TYR 24 63.779 7.439 1.410 198 HD1 TYR 24 HD2 TYR 24 67.199 5.989 1.173 199 HD2 TYR 24 HD1 TYR 24 63.872 7.673 -0.958 200 HE1 TYR 24 HE2 TYR 24 68.581 6.116 -0.883 201 HE2 TYR 24 HE1 TYR 24 65.252 7.800 -3.014 202 HH TYR 24 HH TYR 24 67.185 6.978 -3.983 203 H LYS 25 HN LYS 25 64.081 9.202 2.990 204 HA LYS 25 HA LYS 25 65.961 11.117 1.937 205 1HB LYS 25 HB2 LYS 25 63.859 11.944 1.749 206 2HB LYS 25 HB1 LYS 25 63.257 10.874 3.001 207 1HG LYS 25 HG2 LYS 25 64.934 13.162 3.903 208 2HG LYS 25 HG1 LYS 25 63.310 13.531 3.323 209 1HD LYS 25 HD2 LYS 25 62.280 12.214 4.940 210 2HD LYS 25 HD1 LYS 25 63.728 11.248 5.217 211 1HE LYS 25 HE2 LYS 25 63.441 12.742 7.131 212 2HE LYS 25 HE1 LYS 25 64.819 13.337 6.183 213 1HZ LYS 25 HZ2 LYS 25 62.893 14.557 4.901 214 2HZ LYS 25 HZ1 LYS 25 62.109 14.423 6.401 215 3HZ LYS 25 HZ3 LYS 25 63.592 15.239 6.290 216 H ARG 26 HN ARG 26 65.801 9.425 4.867 217 HA ARG 26 HA ARG 26 66.974 11.566 6.523 218 1HB ARG 26 HB2 ARG 26 65.827 8.868 6.830 219 2HB ARG 26 HB1 ARG 26 67.162 9.223 7.929 220 1HG ARG 26 HG2 ARG 26 65.880 11.527 8.203 221 2HG ARG 26 HG1 ARG 26 64.502 10.556 7.698 222 1HD ARG 26 HD2 ARG 26 64.631 10.477 10.131 223 2HD ARG 26 HD1 ARG 26 65.127 8.890 9.509 224 HE ARG 26 HE ARG 26 67.437 10.540 9.617 225 1HH1 ARG 26 HH21 ARG 26 66.051 7.961 11.139 226 2HH1 ARG 26 HH22 ARG 26 66.733 8.257 12.704 227 1HH2 ARG 26 HH11 ARG 26 67.934 11.404 11.875 228 2HH2 ARG 26 HH12 ARG 26 67.801 10.206 13.121 229 H LEU 27 HN LEU 27 67.988 8.314 5.398 230 HA LEU 27 HA LEU 27 70.776 8.831 6.119 231 1HB LEU 27 HB2 LEU 27 70.986 6.568 5.793 232 2HB LEU 27 HB1 LEU 27 69.234 6.613 5.938 233 HG LEU 27 HG LEU 27 70.546 6.917 3.234 234 1HD1 LEU 27 HD12 LEU 27 71.027 4.728 4.871 235 2HD1 LEU 27 HD11 LEU 27 69.665 4.212 3.877 236 3HD1 LEU 27 HD13 LEU 27 71.159 4.756 3.112 237 1HD2 LEU 27 HD22 LEU 27 67.947 7.059 4.056 238 2HD2 LEU 27 HD21 LEU 27 68.437 6.555 2.441 239 3HD2 LEU 27 HD23 LEU 27 68.080 5.344 3.672 240 H ALA 28 HN ALA 28 68.845 8.594 3.178 241 HA ALA 28 HA ALA 28 70.961 8.901 1.300 242 1HB ALA 28 HB3 ALA 28 68.503 8.101 1.128 243 2HB ALA 28 HB2 ALA 28 68.111 9.811 0.946 244 3HB ALA 28 HB1 ALA 28 69.162 9.017 -0.229 245 H MET 29 HN MET 29 68.896 11.362 2.927 246 HA MET 29 HA MET 29 69.806 13.577 1.362 247 1HB MET 29 HB2 MET 29 69.050 14.911 3.255 248 2HB MET 29 HB1 MET 29 67.949 13.544 3.081 249 1HG MET 29 HG2 MET 29 69.276 12.319 4.797 250 2HG MET 29 HG1 MET 29 70.260 13.760 5.028 251 1HE MET 29 HE3 MET 29 70.164 14.821 6.707 252 2HE MET 29 HE2 MET 29 68.829 15.574 7.573 253 3HE MET 29 HE1 MET 29 69.280 13.911 7.940 254 H LYS 30 HN LYS 30 71.214 11.808 4.057 255 HA LYS 30 HA LYS 30 73.564 13.597 4.216 256 1HB LYS 30 HB2 LYS 30 72.516 11.153 5.644 257 2HB LYS 30 HB1 LYS 30 74.177 11.688 5.900 258 1HG LYS 30 HG2 LYS 30 73.534 13.481 7.136 259 2HG LYS 30 HG1 LYS 30 72.195 13.860 6.051 260 1HD LYS 30 HD2 LYS 30 71.055 13.207 7.982 261 2HD LYS 30 HD1 LYS 30 71.119 11.695 7.079 262 1HE LYS 30 HE2 LYS 30 71.907 10.972 9.152 263 2HE LYS 30 HE1 LYS 30 73.440 11.434 8.386 264 1HZ LYS 30 HZ2 LYS 30 73.170 13.666 9.300 265 2HZ LYS 30 HZ1 LYS 30 71.737 13.188 10.078 266 3HZ LYS 30 HZ3 LYS 30 73.220 12.505 10.540 267 H TYR 31 HN TYR 31 72.526 10.797 2.508 268 HA TYR 31 HA TYR 31 75.323 9.931 1.931 269 1HB TYR 31 HB2 TYR 31 72.664 8.706 2.122 270 2HB TYR 31 HB1 TYR 31 73.556 8.195 0.688 271 HD1 TYR 31 HD1 TYR 31 76.360 8.412 1.752 272 HD2 TYR 31 HD2 TYR 31 72.792 6.775 3.492 273 HE1 TYR 31 HE1 TYR 31 77.737 6.909 3.156 274 HE2 TYR 31 HE2 TYR 31 74.168 5.270 4.897 275 HH TYR 31 HH TYR 31 77.562 4.865 4.384 276 H HIS 32 HN HIS 32 73.444 12.174 0.774 277 HA HIS 32 HA HIS 32 72.939 11.792 -1.959 278 1HB HIS 32 HB2 HIS 32 72.836 14.230 -1.863 279 2HB HIS 32 HB1 HIS 32 72.277 13.578 -0.340 280 HD1 HIS 32 HD1 HIS 32 73.259 14.641 1.647 281 HD2 HIS 32 HD2 HIS 32 75.938 14.694 -1.542 282 HE1 HIS 32 HE1 HIS 32 75.330 15.840 2.469 283 HA PRO 33 HA PRO 33 76.706 12.234 -4.142 284 1HB PRO 33 HB2 PRO 33 77.376 14.793 -4.869 285 2HB PRO 33 HB1 PRO 33 76.117 13.838 -5.675 286 1HG PRO 33 HG2 PRO 33 75.851 15.974 -3.631 287 2HG PRO 33 HG1 PRO 33 74.837 15.624 -5.037 288 1HD PRO 33 HD2 PRO 33 74.186 14.982 -2.506 289 2HD PRO 33 HD1 PRO 33 73.602 14.072 -3.916 290 H ASP 34 HN ASP 34 77.112 12.000 -1.536 291 HA ASP 34 HA ASP 34 79.433 13.745 -0.803 292 1HB ASP 34 HB2 ASP 34 78.921 13.048 1.475 293 2HB ASP 34 HB1 ASP 34 77.395 13.517 0.726 294 H ARG 35 HN ARG 35 78.199 10.490 -1.256 295 HA ARG 35 HA ARG 35 80.982 9.470 -1.527 296 1HB ARG 35 HB2 ARG 35 80.249 7.485 -0.220 297 2HB ARG 35 HB1 ARG 35 80.106 8.963 0.733 298 1HG ARG 35 HG2 ARG 35 78.036 7.916 1.095 299 2HG ARG 35 HG1 ARG 35 77.674 9.041 -0.214 300 1HD ARG 35 HD2 ARG 35 76.955 7.274 -1.411 301 2HD ARG 35 HD1 ARG 35 78.635 6.720 -1.472 302 HE ARG 35 HE ARG 35 78.238 5.347 0.486 303 1HH1 ARG 35 HH11 ARG 35 75.524 7.320 -0.305 304 2HH1 ARG 35 HH12 ARG 35 74.373 6.251 0.420 305 1HH2 ARG 35 HH21 ARG 35 76.726 3.860 1.286 306 2HH2 ARG 35 HH22 ARG 35 75.051 4.298 1.319 307 H ASN 36 HN ASN 36 77.506 9.290 -2.289 308 HA ASN 36 HA ASN 36 77.198 7.050 -3.858 309 1HB ASN 36 HB2 ASN 36 76.464 9.940 -4.444 310 2HB ASN 36 HB1 ASN 36 75.775 8.562 -5.290 311 1HD2 ASN 36 HD22 ASN 36 74.457 7.521 -1.838 312 2HD2 ASN 36 HD21 ASN 36 75.748 6.900 -2.745 313 H GLN 37 HN GLN 37 79.161 9.869 -4.556 314 HA GLN 37 HA GLN 37 79.675 9.608 -7.304 315 1HB GLN 37 HB2 GLN 37 81.720 10.247 -5.158 316 2HB GLN 37 HB1 GLN 37 81.653 10.889 -6.799 317 1HG GLN 37 HG2 GLN 37 79.142 11.479 -5.671 318 2HG GLN 37 HG1 GLN 37 80.319 11.852 -4.411 319 1HE2 GLN 37 HE22 GLN 37 81.185 14.870 -5.982 320 2HE2 GLN 37 HE21 GLN 37 80.967 13.999 -4.542 321 H GLY 38 HN GLY 38 80.615 7.533 -4.678 322 1HA GLY 38 HA2 GLY 38 82.450 6.034 -6.506 323 2HA GLY 38 HA1 GLY 38 82.552 5.981 -4.744 324 H ASP 39 HN ASP 39 79.724 5.715 -6.889 325 HA ASP 39 HA ASP 39 78.812 3.354 -5.373 326 1HB ASP 39 HB2 ASP 39 76.777 3.733 -6.755 327 2HB ASP 39 HB1 ASP 39 77.305 5.206 -5.947 328 H LYS 40 HN LYS 40 80.855 2.195 -6.350 329 HA LYS 40 HA LYS 40 80.564 1.318 -9.155 330 1HB LYS 40 HB2 LYS 40 82.533 1.224 -6.943 331 2HB LYS 40 HB1 LYS 40 82.572 -0.155 -8.042 332 1HG LYS 40 HG2 LYS 40 83.412 1.082 -9.749 333 2HG LYS 40 HG1 LYS 40 82.337 2.440 -9.409 334 1HD LYS 40 HD2 LYS 40 83.842 3.458 -8.010 335 2HD LYS 40 HD1 LYS 40 84.489 1.926 -7.422 336 1HE LYS 40 HE2 LYS 40 85.070 2.197 -10.243 337 2HE LYS 40 HE1 LYS 40 85.664 3.617 -9.358 338 1HZ LYS 40 HZ1 LYS 40 86.642 2.119 -7.713 339 2HZ LYS 40 HZ3 LYS 40 86.125 0.776 -8.610 340 3HZ LYS 40 HZ2 LYS 40 87.286 1.834 -9.259 341 H GLU 41 HN GLU 41 78.714 0.566 -6.715 342 HA GLU 41 HA GLU 41 77.929 -2.031 -7.598 343 1HB GLU 41 HB2 GLU 41 78.868 -3.067 -5.288 344 2HB GLU 41 HB1 GLU 41 79.813 -3.092 -6.775 345 1HG GLU 41 HG2 GLU 41 81.269 -1.479 -6.040 346 2HG GLU 41 HG1 GLU 41 80.038 -0.637 -5.106 347 H ALA 42 HN ALA 42 78.415 -0.367 -4.455 348 HA ALA 42 HA ALA 42 75.892 -1.097 -3.322 349 1HB ALA 42 HB2 ALA 42 78.182 0.640 -2.807 350 2HB ALA 42 HB1 ALA 42 76.674 1.398 -2.298 351 3HB ALA 42 HB3 ALA 42 77.131 -0.178 -1.651 352 H GLU 43 HN GLU 43 76.747 1.045 -5.864 353 HA GLU 43 HA GLU 43 75.111 3.244 -5.862 354 1HB GLU 43 HB2 GLU 43 74.840 2.919 -8.237 355 2HB GLU 43 HB1 GLU 43 76.412 2.254 -7.801 356 1HG GLU 43 HG2 GLU 43 75.284 -0.008 -7.619 357 2HG GLU 43 HG1 GLU 43 73.848 0.738 -8.320 358 H ALA 44 HN ALA 44 74.048 -0.091 -6.292 359 HA ALA 44 HA ALA 44 71.399 0.612 -6.928 360 1HB ALA 44 HB2 ALA 44 72.750 -1.895 -5.926 361 2HB ALA 44 HB1 ALA 44 71.034 -1.871 -6.334 362 3HB ALA 44 HB3 ALA 44 72.240 -1.522 -7.573 363 H LYS 45 HN LYS 45 72.832 -0.541 -3.848 364 HA LYS 45 HA LYS 45 70.616 -0.657 -2.201 365 1HB LYS 45 HB2 LYS 45 72.777 -1.083 -1.300 366 2HB LYS 45 HB1 LYS 45 73.376 0.512 -1.777 367 1HG LYS 45 HG2 LYS 45 71.756 1.556 -0.192 368 2HG LYS 45 HG1 LYS 45 71.254 -0.055 0.322 369 1HD LYS 45 HD2 LYS 45 73.738 -0.479 0.847 370 2HD LYS 45 HD1 LYS 45 73.945 1.267 0.695 371 1HE LYS 45 HE2 LYS 45 73.524 0.571 3.063 372 2HE LYS 45 HE1 LYS 45 72.240 1.632 2.448 373 1HZ LYS 45 HZ3 LYS 45 72.009 -1.258 2.001 374 2HZ LYS 45 HZ2 LYS 45 71.654 -0.658 3.550 375 3HZ LYS 45 HZ1 LYS 45 70.788 -0.098 2.201 376 H PHE 46 HN PHE 46 72.040 2.189 -3.678 377 HA PHE 46 HA PHE 46 70.695 4.183 -2.089 378 1HB PHE 46 HB2 PHE 46 71.677 4.262 -4.964 379 2HB PHE 46 HB1 PHE 46 71.412 5.657 -3.919 380 HD1 PHE 46 HD1 PHE 46 72.458 3.900 -1.425 381 HD2 PHE 46 HD2 PHE 46 74.051 5.020 -5.254 382 HE1 PHE 46 HE1 PHE 46 74.759 3.670 -0.536 383 HE2 PHE 46 HE2 PHE 46 76.354 4.790 -4.363 384 HZ PHE 46 HZ PHE 46 76.707 4.115 -2.002 385 H LYS 47 HN LYS 47 69.949 2.856 -5.357 386 HA LYS 47 HA LYS 47 67.283 4.127 -5.236 387 1HB LYS 47 HB2 LYS 47 67.349 3.836 -7.515 388 2HB LYS 47 HB1 LYS 47 69.061 3.533 -7.242 389 1HG LYS 47 HG2 LYS 47 66.985 1.326 -7.189 390 2HG LYS 47 HG1 LYS 47 67.849 1.793 -8.652 391 1HD LYS 47 HD2 LYS 47 69.845 1.543 -6.702 392 2HD LYS 47 HD1 LYS 47 68.772 0.171 -6.427 393 1HE LYS 47 HE2 LYS 47 70.226 0.897 -8.987 394 2HE LYS 47 HE1 LYS 47 70.302 -0.623 -8.076 395 1HZ LYS 47 HZ1 LYS 47 67.686 -0.429 -8.472 396 2HZ LYS 47 HZ3 LYS 47 68.229 0.357 -9.873 397 3HZ LYS 47 HZ2 LYS 47 68.721 -1.237 -9.552 398 H GLU 48 HN GLU 48 68.792 1.031 -4.731 399 HA GLU 48 HA GLU 48 66.700 -0.828 -4.842 400 1HB GLU 48 HB2 GLU 48 68.980 -0.308 -2.922 401 2HB GLU 48 HB1 GLU 48 67.935 -1.708 -2.715 402 1HG GLU 48 HG2 GLU 48 69.459 -1.066 -5.251 403 2HG GLU 48 HG1 GLU 48 69.998 -2.214 -4.028 404 H ILE 49 HN ILE 49 67.546 1.599 -2.489 405 HA ILE 49 HA ILE 49 65.469 1.058 -0.550 406 HB ILE 49 HB ILE 49 67.129 3.457 -1.291 407 1HG1 ILE 49 HG12 ILE 49 67.454 1.709 1.130 408 2HG1 ILE 49 HG11 ILE 49 68.152 1.236 -0.419 409 1HG2 ILE 49 HG23 ILE 49 65.265 3.002 1.024 410 2HG2 ILE 49 HG22 ILE 49 66.569 4.187 1.089 411 3HG2 ILE 49 HG21 ILE 49 65.287 4.351 -0.111 412 1HD1 ILE 49 HD11 ILE 49 69.015 3.782 -0.335 413 2HD1 ILE 49 HD13 ILE 49 68.914 3.470 1.398 414 3HD1 ILE 49 HD12 ILE 49 69.930 2.453 0.377 415 H LYS 50 HN LYS 50 65.898 3.467 -3.107 416 HA LYS 50 HA LYS 50 63.356 4.760 -2.858 417 1HB LYS 50 HB2 LYS 50 65.090 5.814 -4.101 418 2HB LYS 50 HB1 LYS 50 65.382 4.370 -5.070 419 1HG LYS 50 HG2 LYS 50 62.638 5.487 -5.215 420 2HG LYS 50 HG1 LYS 50 63.908 6.464 -5.954 421 1HD LYS 50 HD2 LYS 50 64.629 4.065 -6.920 422 2HD LYS 50 HD1 LYS 50 62.901 3.768 -6.726 423 1HE LYS 50 HE2 LYS 50 62.371 5.731 -8.097 424 2HE LYS 50 HE1 LYS 50 64.099 6.117 -8.242 425 1HZ LYS 50 HZ1 LYS 50 63.275 3.388 -8.874 426 2HZ LYS 50 HZ3 LYS 50 62.860 4.587 -10.000 427 3HZ LYS 50 HZ2 LYS 50 64.488 4.346 -9.581 428 H GLU 51 HN GLU 51 64.400 1.830 -4.501 429 HA GLU 51 HA GLU 51 62.126 1.387 -6.182 430 1HB GLU 51 HB2 GLU 51 64.312 0.223 -6.313 431 2HB GLU 51 HB1 GLU 51 64.000 -0.535 -4.751 432 1HG GLU 51 HG2 GLU 51 61.884 -1.508 -5.784 433 2HG GLU 51 HG1 GLU 51 62.501 -0.964 -7.344 434 H ALA 52 HN ALA 52 62.870 0.341 -2.861 435 HA ALA 52 HA ALA 52 60.862 -1.309 -2.050 436 1HB ALA 52 HB1 ALA 52 61.748 1.276 -0.739 437 2HB ALA 52 HB3 ALA 52 61.011 -0.091 0.099 438 3HB ALA 52 HB2 ALA 52 62.596 -0.266 -0.654 439 H TYR 53 HN TYR 53 60.381 2.077 -2.963 440 HA TYR 53 HA TYR 53 57.778 2.458 -1.901 441 1HB TYR 53 HB2 TYR 53 58.999 3.505 -4.472 442 2HB TYR 53 HB1 TYR 53 57.693 4.264 -3.563 443 HD1 TYR 53 HD2 TYR 53 59.470 2.936 -1.000 444 HD2 TYR 53 HD1 TYR 53 59.945 5.943 -4.029 445 HE1 TYR 53 HE2 TYR 53 61.146 4.058 0.397 446 HE2 TYR 53 HE1 TYR 53 61.617 7.082 -2.611 447 HH TYR 53 HH TYR 53 62.731 5.669 0.444 448 H GLU 54 HN GLU 54 58.853 0.826 -4.836 449 HA GLU 54 HA GLU 54 56.364 0.543 -6.188 450 1HB GLU 54 HB2 GLU 54 57.488 -1.554 -7.037 451 2HB GLU 54 HB1 GLU 54 58.517 -0.123 -7.134 452 1HG GLU 54 HG2 GLU 54 60.049 -1.241 -5.927 453 2HG GLU 54 HG1 GLU 54 58.939 -1.147 -4.561 454 H VAL 55 HN VAL 55 57.572 -0.748 -3.234 455 HA VAL 55 HA VAL 55 55.516 -2.862 -3.188 456 HB VAL 55 HB VAL 55 58.250 -2.576 -2.490 457 1HG1 VAL 55 HG13 VAL 55 56.420 -2.985 -0.151 458 2HG1 VAL 55 HG12 VAL 55 58.002 -3.753 -0.199 459 3HG1 VAL 55 HG11 VAL 55 57.877 -1.999 -0.266 460 1HG2 VAL 55 HG21 VAL 55 56.793 -4.515 -3.479 461 2HG2 VAL 55 HG23 VAL 55 58.231 -4.889 -2.530 462 3HG2 VAL 55 HG22 VAL 55 56.633 -4.991 -1.789 463 H LEU 56 HN LEU 56 56.913 -0.563 -0.813 464 HA LEU 56 HA LEU 56 54.576 -0.802 0.902 465 1HB LEU 56 HB2 LEU 56 55.781 1.020 2.143 466 2HB LEU 56 HB1 LEU 56 56.767 -0.407 1.797 467 HG LEU 56 HG LEU 56 57.005 1.238 -0.466 468 1HD1 LEU 56 HD13 LEU 56 56.049 3.025 1.029 469 2HD1 LEU 56 HD12 LEU 56 57.456 2.819 2.068 470 3HD1 LEU 56 HD11 LEU 56 57.661 3.384 0.411 471 1HD2 LEU 56 HD21 LEU 56 58.708 0.416 1.865 472 2HD2 LEU 56 HD23 LEU 56 58.853 -0.037 0.172 473 3HD2 LEU 56 HD22 LEU 56 59.353 1.568 0.696 474 H THR 57 HN THR 57 55.468 1.535 -1.625 475 HA THR 57 HA THR 57 53.283 3.337 -0.752 476 HB THR 57 HB THR 57 54.155 4.833 -2.392 477 HG1 THR 57 HG1 THR 57 55.963 3.647 -3.734 478 1HG2 THR 57 HG22 THR 57 56.316 3.179 -1.090 479 2HG2 THR 57 HG21 THR 57 56.703 4.605 -2.049 480 3HG2 THR 57 HG23 THR 57 55.706 4.758 -0.605 481 H ASP 58 HN ASP 58 52.849 0.525 -1.735 482 HA ASP 58 HA ASP 58 50.701 1.140 -3.678 483 1HB ASP 58 HB2 ASP 58 53.216 -0.122 -4.263 484 2HB ASP 58 HB1 ASP 58 51.940 -1.336 -4.401 485 H SER 59 HN SER 59 48.948 0.422 -2.712 486 HA SER 59 HA SER 59 48.853 -1.153 -0.446 487 1HB SER 59 HB2 SER 59 46.863 -0.726 -2.675 488 2HB SER 59 HB1 SER 59 46.437 -1.476 -1.138 489 HG SER 59 HG SER 59 46.457 0.426 -0.249 490 H GLN 60 HN GLN 60 49.520 -2.244 -3.635 491 HA GLN 60 HA GLN 60 48.430 -4.919 -3.408 492 1HB GLN 60 HB2 GLN 60 49.396 -3.304 -5.382 493 2HB GLN 60 HB1 GLN 60 50.759 -4.399 -5.159 494 1HG GLN 60 HG2 GLN 60 49.395 -6.326 -5.583 495 2HG GLN 60 HG1 GLN 60 47.914 -5.371 -5.507 496 1HE2 GLN 60 HE22 GLN 60 50.116 -5.421 -8.945 497 2HE2 GLN 60 HE21 GLN 60 50.705 -6.163 -7.536 498 H LYS 61 HN LYS 61 51.802 -3.685 -3.189 499 HA LYS 61 HA LYS 61 52.819 -6.266 -2.280 500 1HB LYS 61 HB2 LYS 61 54.308 -3.694 -1.993 501 2HB LYS 61 HB1 LYS 61 54.900 -5.269 -2.499 502 1HG LYS 61 HG2 LYS 61 53.312 -3.265 -4.111 503 2HG LYS 61 HG1 LYS 61 54.887 -3.955 -4.477 504 1HD LYS 61 HD2 LYS 61 52.753 -5.974 -4.187 505 2HD LYS 61 HD1 LYS 61 52.520 -4.862 -5.533 506 1HE LYS 61 HE2 LYS 61 54.959 -5.338 -6.168 507 2HE LYS 61 HE1 LYS 61 54.876 -6.691 -5.022 508 1HZ LYS 61 HZ2 LYS 61 52.746 -7.318 -6.177 509 2HZ LYS 61 HZ1 LYS 61 53.168 -6.215 -7.400 510 3HZ LYS 61 HZ3 LYS 61 54.163 -7.552 -7.086 511 H ARG 62 HN ARG 62 52.366 -3.094 -0.646 512 HA ARG 62 HA ARG 62 53.308 -3.880 1.895 513 1HB ARG 62 HB2 ARG 62 51.922 -2.022 2.707 514 2HB ARG 62 HB1 ARG 62 52.631 -1.582 1.152 515 1HG ARG 62 HG2 ARG 62 50.619 -1.679 0.051 516 2HG ARG 62 HG1 ARG 62 49.988 -2.952 1.088 517 1HD ARG 62 HD2 ARG 62 50.484 -0.239 2.280 518 2HD ARG 62 HD1 ARG 62 49.015 -0.511 1.321 519 HE ARG 62 HE ARG 62 48.512 -2.433 2.849 520 1HH1 ARG 62 HH21 ARG 62 50.904 -3.000 4.298 521 2HH1 ARG 62 HH22 ARG 62 50.773 -2.071 5.754 522 1HH2 ARG 62 HH11 ARG 62 48.312 0.028 4.508 523 2HH2 ARG 62 HH12 ARG 62 49.309 -0.354 5.871 524 H ALA 63 HN ALA 63 50.430 -4.764 0.193 525 HA ALA 63 HA ALA 63 49.086 -5.872 2.582 526 1HB ALA 63 HB2 ALA 63 48.526 -5.600 -0.375 527 2HB ALA 63 HB1 ALA 63 47.541 -6.679 0.614 528 3HB ALA 63 HB3 ALA 63 47.603 -4.956 0.982 529 H ALA 64 HN ALA 64 51.220 -6.777 0.022 530 HA ALA 64 HA ALA 64 50.815 -9.680 0.337 531 1HB ALA 64 HB3 ALA 64 51.496 -8.143 -1.741 532 2HB ALA 64 HB2 ALA 64 53.119 -8.401 -1.098 533 3HB ALA 64 HB1 ALA 64 52.132 -9.781 -1.584 534 H TYR 65 HN TYR 65 53.297 -7.204 1.035 535 HA TYR 65 HA TYR 65 55.228 -8.918 2.242 536 1HB TYR 65 HB2 TYR 65 55.071 -6.320 1.549 537 2HB TYR 65 HB1 TYR 65 54.760 -6.159 3.281 538 HD1 TYR 65 HD2 TYR 65 57.094 -7.917 0.923 539 HD2 TYR 65 HD1 TYR 65 56.566 -6.043 4.752 540 HE1 TYR 65 HE2 TYR 65 59.510 -8.213 1.401 541 HE2 TYR 65 HE1 TYR 65 58.982 -6.339 5.230 542 HH TYR 65 HH TYR 65 60.830 -8.076 4.342 543 H ASP 66 HN ASP 66 52.539 -7.038 3.682 544 HA ASP 66 HA ASP 66 52.966 -7.751 6.394 545 1HB ASP 66 HB2 ASP 66 50.903 -6.727 6.690 546 2HB ASP 66 HB1 ASP 66 51.277 -6.151 5.067 547 H GLN 67 HN GLN 67 51.710 -9.614 3.723 548 HA GLN 67 HA GLN 67 50.577 -11.713 5.476 549 1HB GLN 67 HB2 GLN 67 50.861 -11.346 2.476 550 2HB GLN 67 HB1 GLN 67 50.037 -12.715 3.225 551 1HG GLN 67 HG2 GLN 67 49.293 -9.833 3.777 552 2HG GLN 67 HG1 GLN 67 48.513 -10.810 2.534 553 1HE2 GLN 67 HE22 GLN 67 46.681 -11.108 5.858 554 2HE2 GLN 67 HE21 GLN 67 47.209 -9.756 4.978 555 H TYR 68 HN TYR 68 53.611 -10.909 4.181 556 HA TYR 68 HA TYR 68 55.634 -12.123 4.019 557 1HB TYR 68 HB2 TYR 68 53.924 -13.376 6.100 558 2HB TYR 68 HB1 TYR 68 55.291 -14.348 5.542 559 HD1 TYR 68 HD1 TYR 68 57.535 -12.843 5.188 560 HD2 TYR 68 HD2 TYR 68 54.328 -11.990 7.916 561 HE1 TYR 68 HE1 TYR 68 59.070 -11.461 6.561 562 HE2 TYR 68 HE2 TYR 68 55.862 -10.608 9.289 563 HH TYR 68 HH TYR 68 58.597 -9.364 8.297 564 H GLY 69 HN GLY 69 53.692 -12.565 1.931 565 1HA GLY 69 HA2 GLY 69 54.008 -14.062 0.034 566 2HA GLY 69 HA1 GLY 69 54.446 -15.344 1.167 567 H HIS 70 HN HIS 70 52.449 -15.757 -0.778 568 HA HIS 70 HA HIS 70 49.800 -15.277 0.303 569 1HB HIS 70 HB2 HIS 70 49.103 -16.534 -1.605 570 2HB HIS 70 HB1 HIS 70 50.568 -15.693 -2.119 571 HD1 HIS 70 HD1 HIS 70 49.507 -18.486 -3.283 572 HD2 HIS 70 HD2 HIS 70 52.572 -17.995 -0.504 573 HE1 HIS 70 HE1 HIS 70 50.948 -20.563 -3.435 574 H ALA 71 HN ALA 71 52.245 -17.285 1.356 575 HA ALA 71 HA ALA 71 50.882 -19.749 1.920 576 1HB ALA 71 HB2 ALA 71 53.404 -18.480 2.346 577 2HB ALA 71 HB1 ALA 71 52.848 -19.087 3.906 578 3HB ALA 71 HB3 ALA 71 53.011 -20.189 2.538 579 H ALA 72 HN ALA 72 51.234 -16.713 3.758 580 HA ALA 72 HA ALA 72 50.018 -17.609 6.189 581 1HB ALA 72 HB3 ALA 72 50.680 -15.059 4.811 582 2HB ALA 72 HB2 ALA 72 49.474 -14.955 6.095 583 3HB ALA 72 HB1 ALA 72 51.083 -15.589 6.443 584 H PHE 73 HN PHE 73 48.658 -17.036 3.086 585 HA PHE 73 HA PHE 73 45.924 -16.659 4.246 586 1HB PHE 73 HB2 PHE 73 47.418 -15.644 1.982 587 2HB PHE 73 HB1 PHE 73 45.919 -16.402 1.432 588 HD1 PHE 73 HD1 PHE 73 44.019 -15.925 3.550 589 HD2 PHE 73 HD2 PHE 73 47.098 -13.328 2.055 590 HE1 PHE 73 HE1 PHE 73 42.733 -13.953 4.328 591 HE2 PHE 73 HE2 PHE 73 45.812 -11.356 2.832 592 HZ PHE 73 HZ PHE 73 43.628 -11.668 3.968 593 H GLU 74 HN GLU 74 47.897 -18.793 2.236 594 HA GLU 74 HA GLU 74 45.685 -20.801 2.326 595 1HB GLU 74 HB2 GLU 74 47.340 -20.150 -0.130 596 2HB GLU 74 HB1 GLU 74 45.922 -21.197 -0.045 597 1HG GLU 74 HG2 GLU 74 44.746 -19.028 0.889 598 2HG GLU 74 HG1 GLU 74 46.072 -18.202 0.068 599 H GLN 75 HN GLN 75 46.698 -22.967 1.328 600 HA GLN 75 HA GLN 75 49.473 -23.273 2.428 601 1HB GLN 75 HB2 GLN 75 47.003 -25.017 2.641 602 2HB GLN 75 HB1 GLN 75 48.615 -25.587 3.076 603 1HG GLN 75 HG2 GLN 75 47.945 -22.978 4.248 604 2HG GLN 75 HG1 GLN 75 46.886 -24.283 4.785 605 1HE2 GLN 75 HE22 GLN 75 49.380 -25.105 7.149 606 2HE2 GLN 75 HE21 GLN 75 47.779 -24.603 6.889 607 H GLY 76 HN GLY 76 50.717 -25.012 1.377 608 1HA GLY 76 HA2 GLY 76 50.340 -25.073 -1.488 609 2HA GLY 76 HA1 GLY 76 51.550 -25.992 -0.593 610 H GLY 77 HN GLY 77 50.310 -27.262 -2.674 611 1HA GLY 77 HA2 GLY 77 48.140 -28.906 -1.474 612 2HA GLY 77 HA1 GLY 77 48.551 -28.855 -3.190 No H/Q in entry = 612 Start of MODEL 6 1 1H ALA 1 HT1 ALA 1 71.279 -7.105 -5.757 2 2H ALA 1 HT3 ALA 1 72.501 -8.279 -5.834 3 3H ALA 1 HT2 ALA 1 70.885 -8.716 -6.126 4 HA ALA 1 HA ALA 1 71.226 -9.450 -3.954 5 1HB ALA 1 HB1 ALA 1 73.440 -8.016 -4.112 6 2HB ALA 1 HB3 ALA 1 72.491 -6.826 -3.221 7 3HB ALA 1 HB2 ALA 1 72.772 -8.425 -2.532 8 H LYS 2 HN LYS 2 68.972 -9.279 -3.668 9 HA LYS 2 HA LYS 2 67.811 -6.596 -3.097 10 1HB LYS 2 HB2 LYS 2 65.724 -7.677 -3.558 11 2HB LYS 2 HB1 LYS 2 66.862 -8.339 -4.732 12 1HG LYS 2 HG2 LYS 2 66.296 -10.390 -3.979 13 2HG LYS 2 HG1 LYS 2 67.126 -9.983 -2.475 14 1HD LYS 2 HD2 LYS 2 65.176 -9.865 -1.353 15 2HD LYS 2 HD1 LYS 2 64.495 -8.768 -2.553 16 1HE LYS 2 HE2 LYS 2 64.725 -11.722 -3.144 17 2HE LYS 2 HE1 LYS 2 63.333 -11.073 -2.253 18 1HZ LYS 2 HZ2 LYS 2 64.299 -9.838 -4.764 19 2HZ LYS 2 HZ1 LYS 2 63.156 -11.095 -4.776 20 3HZ LYS 2 HZ3 LYS 2 62.797 -9.631 -3.999 21 H GLN 3 HN GLN 3 66.405 -6.387 -1.163 22 HA GLN 3 HA GLN 3 67.112 -8.298 1.035 23 1HB GLN 3 HB2 GLN 3 68.154 -5.788 0.733 24 2HB GLN 3 HB1 GLN 3 66.740 -5.450 1.731 25 1HG GLN 3 HG2 GLN 3 67.453 -7.022 3.412 26 2HG GLN 3 HG1 GLN 3 68.751 -7.619 2.377 27 1HE2 GLN 3 HE22 GLN 3 69.194 -3.948 4.183 28 2HE2 GLN 3 HE21 GLN 3 67.633 -4.567 3.935 29 H ASP 4 HN ASP 4 65.570 -6.389 2.823 30 HA ASP 4 HA ASP 4 62.853 -7.347 2.047 31 1HB ASP 4 HB2 ASP 4 62.985 -6.280 4.711 32 2HB ASP 4 HB1 ASP 4 62.671 -7.936 4.218 33 H TYR 5 HN TYR 5 63.674 -5.117 0.685 34 HA TYR 5 HA TYR 5 63.345 -2.710 0.577 35 1HB TYR 5 HB2 TYR 5 60.544 -3.006 0.549 36 2HB TYR 5 HB1 TYR 5 61.649 -3.087 -0.811 37 HD1 TYR 5 HD1 TYR 5 59.849 -5.125 1.704 38 HD2 TYR 5 HD2 TYR 5 62.309 -5.141 -1.815 39 HE1 TYR 5 HE1 TYR 5 59.373 -7.536 1.385 40 HE2 TYR 5 HE2 TYR 5 61.830 -7.554 -2.139 41 HH TYR 5 HH TYR 5 59.553 -9.119 -1.170 42 H TYR 6 HN TYR 6 60.489 -3.649 2.530 43 HA TYR 6 HA TYR 6 60.188 -1.335 4.029 44 1HB TYR 6 HB2 TYR 6 59.803 -4.253 4.538 45 2HB TYR 6 HB1 TYR 6 59.530 -3.113 5.858 46 HD1 TYR 6 HD1 TYR 6 58.070 -1.013 5.275 47 HD2 TYR 6 HD2 TYR 6 58.070 -4.661 3.008 48 HE1 TYR 6 HE1 TYR 6 55.850 -0.434 4.339 49 HE2 TYR 6 HE2 TYR 6 55.846 -4.081 2.070 50 HH TYR 6 HH TYR 6 54.379 -0.931 2.678 51 H GLU 7 HN GLU 7 62.586 -3.894 4.344 52 HA GLU 7 HA GLU 7 63.809 -2.662 6.755 53 1HB GLU 7 HB2 GLU 7 63.537 -5.189 6.126 54 2HB GLU 7 HB1 GLU 7 64.916 -4.902 5.064 55 1HG GLU 7 HG2 GLU 7 66.014 -5.540 7.009 56 2HG GLU 7 HG1 GLU 7 65.946 -3.792 7.239 57 H ILE 8 HN ILE 8 64.266 -2.997 3.281 58 HA ILE 8 HA ILE 8 66.873 -2.149 2.835 59 HB ILE 8 HB ILE 8 64.269 -1.562 1.462 60 1HG1 ILE 8 HG12 ILE 8 65.182 -3.919 1.589 61 2HG1 ILE 8 HG11 ILE 8 65.009 -3.314 -0.059 62 1HG2 ILE 8 HG21 ILE 8 67.065 -0.952 0.497 63 2HG2 ILE 8 HG23 ILE 8 65.612 -0.881 -0.500 64 3HG2 ILE 8 HG22 ILE 8 65.803 0.225 0.861 65 1HD1 ILE 8 HD13 ILE 8 67.480 -2.538 0.207 66 2HD1 ILE 8 HD12 ILE 8 67.523 -3.657 1.568 67 3HD1 ILE 8 HD11 ILE 8 67.170 -4.255 -0.052 68 H LEU 9 HN LEU 9 63.985 -0.140 3.294 69 HA LEU 9 HA LEU 9 65.458 2.408 3.324 70 1HB LEU 9 HB2 LEU 9 62.666 1.867 4.329 71 2HB LEU 9 HB1 LEU 9 63.277 3.309 3.524 72 HG LEU 9 HG LEU 9 63.730 1.170 1.745 73 1HD1 LEU 9 HD11 LEU 9 61.733 0.343 3.444 74 2HD1 LEU 9 HD13 LEU 9 60.822 1.115 2.148 75 3HD1 LEU 9 HD12 LEU 9 61.927 -0.203 1.778 76 1HD2 LEU 9 HD21 LEU 9 62.839 3.732 1.647 77 2HD2 LEU 9 HD23 LEU 9 62.690 2.608 0.294 78 3HD2 LEU 9 HD22 LEU 9 61.326 2.864 1.382 79 H GLY 10 HN GLY 10 64.771 -0.093 5.574 80 1HA GLY 10 HA2 GLY 10 65.793 -0.184 7.760 81 2HA GLY 10 HA1 GLY 10 65.842 1.581 7.777 82 H VAL 11 HN VAL 11 62.941 0.014 6.675 83 HA VAL 11 HA VAL 11 61.608 0.874 9.232 84 HB VAL 11 HB VAL 11 59.774 0.485 7.088 85 1HG1 VAL 11 HG11 VAL 11 60.858 2.967 8.435 86 2HG1 VAL 11 HG13 VAL 11 59.424 2.936 7.412 87 3HG1 VAL 11 HG12 VAL 11 59.444 2.039 8.931 88 1HG2 VAL 11 HG21 VAL 11 62.259 1.990 6.322 89 2HG2 VAL 11 HG23 VAL 11 61.375 0.772 5.400 90 3HG2 VAL 11 HG22 VAL 11 60.691 2.378 5.625 91 H SER 12 HN SER 12 59.427 -0.329 9.500 92 HA SER 12 HA SER 12 59.943 -3.201 9.600 93 1HB SER 12 HB2 SER 12 57.739 -1.321 10.422 94 2HB SER 12 HB1 SER 12 57.534 -3.064 10.550 95 HG SER 12 HG SER 12 58.592 -1.607 12.335 96 H LYS 13 HN LYS 13 58.449 -4.786 8.606 97 HA LYS 13 HA LYS 13 58.016 -4.384 5.854 98 1HB LYS 13 HB2 LYS 13 56.622 -6.412 6.059 99 2HB LYS 13 HB1 LYS 13 58.184 -6.540 6.866 100 1HG LYS 13 HG2 LYS 13 57.238 -6.722 8.922 101 2HG LYS 13 HG1 LYS 13 56.073 -5.440 8.590 102 1HD LYS 13 HD2 LYS 13 54.456 -6.941 8.141 103 2HD LYS 13 HD1 LYS 13 55.490 -7.782 6.987 104 1HE LYS 13 HE2 LYS 13 55.041 -9.405 8.681 105 2HE LYS 13 HE1 LYS 13 56.660 -8.793 9.076 106 1HZ LYS 13 HZ3 LYS 13 55.074 -6.976 10.257 107 2HZ LYS 13 HZ2 LYS 13 54.151 -8.387 10.466 108 3HZ LYS 13 HZ1 LYS 13 55.743 -8.314 11.055 109 H THR 14 HN THR 14 56.180 -3.239 8.504 110 HA THR 14 HA THR 14 53.905 -2.562 6.669 111 HB THR 14 HB THR 14 52.491 -2.752 8.598 112 HG1 THR 14 HG1 THR 14 53.505 -3.113 10.673 113 1HG2 THR 14 HG21 THR 14 53.870 -4.874 7.639 114 2HG2 THR 14 HG23 THR 14 54.353 -4.941 9.334 115 3HG2 THR 14 HG22 THR 14 52.645 -5.015 8.900 116 H ALA 15 HN ALA 15 56.634 -1.289 7.837 117 HA ALA 15 HA ALA 15 56.384 0.975 9.277 118 1HB ALA 15 HB2 ALA 15 57.765 0.271 6.770 119 2HB ALA 15 HB1 ALA 15 57.871 1.939 7.331 120 3HB ALA 15 HB3 ALA 15 58.436 0.627 8.357 121 H GLU 16 HN GLU 16 54.920 0.566 6.189 122 HA GLU 16 HA GLU 16 53.279 1.895 5.106 123 1HB GLU 16 HB2 GLU 16 53.305 2.779 7.825 124 2HB GLU 16 HB1 GLU 16 53.297 4.221 6.804 125 1HG GLU 16 HG2 GLU 16 51.213 3.771 5.972 126 2HG GLU 16 HG1 GLU 16 51.471 2.026 5.986 127 H GLU 17 HN GLU 17 53.585 3.409 3.491 128 HA GLU 17 HA GLU 17 56.175 4.152 2.694 129 1HB GLU 17 HB2 GLU 17 55.012 5.399 0.984 130 2HB GLU 17 HB1 GLU 17 54.065 3.956 1.351 131 1HG GLU 17 HG2 GLU 17 52.594 5.258 2.814 132 2HG GLU 17 HG1 GLU 17 53.565 6.703 2.535 133 H ARG 18 HN ARG 18 54.621 5.642 5.332 134 HA ARG 18 HA ARG 18 55.551 8.363 4.686 135 1HB ARG 18 HB2 ARG 18 54.637 8.782 7.019 136 2HB ARG 18 HB1 ARG 18 53.475 8.104 5.878 137 1HG ARG 18 HG2 ARG 18 53.385 6.087 6.958 138 2HG ARG 18 HG1 ARG 18 55.085 6.145 7.428 139 1HD ARG 18 HD2 ARG 18 52.876 7.817 8.691 140 2HD ARG 18 HD1 ARG 18 53.612 6.373 9.415 141 HE ARG 18 HE ARG 18 55.836 7.667 9.149 142 1HH1 ARG 18 HH11 ARG 18 56.149 10.086 8.622 143 2HH1 ARG 18 HH12 ARG 18 55.289 11.131 9.703 144 1HH2 ARG 18 HH21 ARG 18 53.256 8.611 10.947 145 2HH2 ARG 18 HH22 ARG 18 53.653 10.296 11.022 146 H GLU 19 HN GLU 19 56.691 5.650 6.609 147 HA GLU 19 HA GLU 19 58.928 7.313 7.637 148 1HB GLU 19 HB2 GLU 19 59.231 4.789 8.709 149 2HB GLU 19 HB1 GLU 19 58.390 6.110 9.505 150 1HG GLU 19 HG2 GLU 19 56.258 5.327 8.635 151 2HG GLU 19 HG1 GLU 19 57.069 4.079 7.687 152 H ILE 20 HN ILE 20 58.015 5.133 5.205 153 HA ILE 20 HA ILE 20 60.659 3.949 4.731 154 HB ILE 20 HB ILE 20 57.907 3.674 3.867 155 1HG1 ILE 20 HG12 ILE 20 59.142 1.572 2.766 156 2HG1 ILE 20 HG11 ILE 20 60.430 2.101 3.844 157 1HG2 ILE 20 HG23 ILE 20 59.786 4.475 1.730 158 2HG2 ILE 20 HG22 ILE 20 58.917 2.989 1.418 159 3HG2 ILE 20 HG21 ILE 20 58.027 4.473 1.740 160 1HD1 ILE 20 HD11 ILE 20 58.406 2.262 5.575 161 2HD1 ILE 20 HD13 ILE 20 57.712 1.050 4.500 162 3HD1 ILE 20 HD12 ILE 20 59.254 0.741 5.298 163 H ARG 21 HN ARG 21 58.533 6.263 3.048 164 HA ARG 21 HA ARG 21 60.391 7.334 1.208 165 1HB ARG 21 HB2 ARG 21 58.904 9.365 1.418 166 2HB ARG 21 HB1 ARG 21 57.970 7.873 1.300 167 1HG ARG 21 HG2 ARG 21 56.932 8.862 3.120 168 2HG ARG 21 HG1 ARG 21 58.174 7.919 3.940 169 1HD ARG 21 HD2 ARG 21 58.600 9.966 4.936 170 2HD ARG 21 HD1 ARG 21 59.574 10.203 3.474 171 HE ARG 21 HE ARG 21 57.928 11.700 2.673 172 1HH1 ARG 21 HH11 ARG 21 55.471 11.275 2.284 173 2HH1 ARG 21 HH12 ARG 21 54.536 11.471 3.729 174 1HH2 ARG 21 HH21 ARG 21 57.283 11.309 5.841 175 2HH2 ARG 21 HH22 ARG 21 55.564 11.494 5.744 176 H LYS 22 HN LYS 22 59.900 7.752 4.612 177 HA LYS 22 HA LYS 22 61.745 9.961 5.020 178 1HB LYS 22 HB2 LYS 22 59.614 9.033 6.307 179 2HB LYS 22 HB1 LYS 22 60.808 8.021 7.121 180 1HG LYS 22 HG2 LYS 22 61.075 11.032 6.880 181 2HG LYS 22 HG1 LYS 22 60.336 10.235 8.269 182 1HD LYS 22 HD2 LYS 22 63.097 9.474 7.316 183 2HD LYS 22 HD1 LYS 22 62.851 10.811 8.428 184 1HE LYS 22 HE2 LYS 22 61.412 8.327 9.158 185 2HE LYS 22 HE1 LYS 22 63.182 8.233 9.253 186 1HZ LYS 22 HZ1 LYS 22 61.889 10.664 10.239 187 2HZ LYS 22 HZ3 LYS 22 61.762 9.273 11.201 188 3HZ LYS 22 HZ2 LYS 22 63.293 9.883 10.792 189 H ALA 23 HN ALA 23 61.785 6.461 5.749 190 HA ALA 23 HA ALA 23 64.266 6.180 6.973 191 1HB ALA 23 HB1 ALA 23 62.304 4.582 5.667 192 2HB ALA 23 HB3 ALA 23 63.875 4.092 5.038 193 3HB ALA 23 HB2 ALA 23 63.569 4.040 6.771 194 H TYR 24 HN TYR 24 63.582 6.214 3.473 195 HA TYR 24 HA TYR 24 66.356 6.068 2.677 196 1HB TYR 24 HB2 TYR 24 64.300 5.437 1.351 197 2HB TYR 24 HB1 TYR 24 63.905 7.149 1.237 198 HD1 TYR 24 HD1 TYR 24 67.364 5.803 1.170 199 HD2 TYR 24 HD2 TYR 24 64.119 7.401 -1.144 200 HE1 TYR 24 HE1 TYR 24 68.882 6.073 -0.768 201 HE2 TYR 24 HE2 TYR 24 65.637 7.667 -3.085 202 HH TYR 24 HH TYR 24 67.792 7.655 -3.745 203 H LYS 25 HN LYS 25 63.932 8.629 3.011 204 HA LYS 25 HA LYS 25 65.343 10.918 2.250 205 1HB LYS 25 HB2 LYS 25 63.065 10.097 3.750 206 2HB LYS 25 HB1 LYS 25 63.886 11.339 4.683 207 1HG LYS 25 HG2 LYS 25 63.059 12.924 3.310 208 2HG LYS 25 HG1 LYS 25 63.878 12.161 1.945 209 1HD LYS 25 HD2 LYS 25 62.008 10.772 1.461 210 2HD LYS 25 HD1 LYS 25 61.248 11.125 3.013 211 1HE LYS 25 HE2 LYS 25 61.636 13.067 0.704 212 2HE LYS 25 HE1 LYS 25 60.096 12.443 1.325 213 1HZ LYS 25 HZ3 LYS 25 61.192 13.330 3.570 214 2HZ LYS 25 HZ2 LYS 25 61.887 14.429 2.476 215 3HZ LYS 25 HZ1 LYS 25 60.198 14.297 2.592 216 H ARG 26 HN ARG 26 65.505 9.082 5.279 217 HA ARG 26 HA ARG 26 67.168 10.908 6.736 218 1HB ARG 26 HB2 ARG 26 66.276 8.063 6.880 219 2HB ARG 26 HB1 ARG 26 67.632 8.542 7.902 220 1HG ARG 26 HG2 ARG 26 65.913 10.626 8.308 221 2HG ARG 26 HG1 ARG 26 64.782 9.294 8.081 222 1HD ARG 26 HD2 ARG 26 65.350 9.444 10.457 223 2HD ARG 26 HD1 ARG 26 66.106 7.981 9.792 224 HE ARG 26 HE ARG 26 67.995 9.973 9.371 225 1HH1 ARG 26 HH11 ARG 26 66.918 11.259 11.840 226 2HH1 ARG 26 HH12 ARG 26 67.859 10.508 13.085 227 1HH2 ARG 26 HH21 ARG 26 68.919 7.892 11.069 228 2HH2 ARG 26 HH22 ARG 26 68.993 8.599 12.648 229 H LEU 27 HN LEU 27 67.982 7.846 5.062 230 HA LEU 27 HA LEU 27 70.859 8.270 5.345 231 1HB LEU 27 HB2 LEU 27 70.968 6.111 4.334 232 2HB LEU 27 HB1 LEU 27 69.491 6.093 5.299 233 HG LEU 27 HG LEU 27 68.378 6.945 3.078 234 1HD1 LEU 27 HD11 LEU 27 70.957 6.799 2.183 235 2HD1 LEU 27 HD13 LEU 27 70.340 5.221 1.700 236 3HD1 LEU 27 HD12 LEU 27 69.542 6.689 1.136 237 1HD2 LEU 27 HD21 LEU 27 68.122 4.713 4.332 238 2HD2 LEU 27 HD23 LEU 27 67.742 4.703 2.611 239 3HD2 LEU 27 HD22 LEU 27 69.285 4.065 3.175 240 H ALA 28 HN ALA 28 68.409 8.709 2.882 241 HA ALA 28 HA ALA 28 70.160 9.111 0.646 242 1HB ALA 28 HB2 ALA 28 67.704 8.508 0.712 243 2HB ALA 28 HB1 ALA 28 67.372 10.177 1.178 244 3HB ALA 28 HB3 ALA 28 68.090 9.828 -0.395 245 H MET 29 HN MET 29 68.690 11.327 3.039 246 HA MET 29 HA MET 29 69.650 13.739 1.791 247 1HB MET 29 HB2 MET 29 69.032 14.746 3.854 248 2HB MET 29 HB1 MET 29 67.979 13.336 3.768 249 1HG MET 29 HG2 MET 29 69.970 12.147 5.018 250 2HG MET 29 HG1 MET 29 70.399 13.792 5.479 251 1HE MET 29 HE2 MET 29 70.284 13.886 7.562 252 2HE MET 29 HE1 MET 29 68.881 13.919 8.628 253 3HE MET 29 HE3 MET 29 69.680 12.384 8.258 254 H LYS 30 HN LYS 30 71.056 11.200 3.684 255 HA LYS 30 HA LYS 30 73.613 12.616 4.141 256 1HB LYS 30 HB2 LYS 30 72.350 9.961 4.815 257 2HB LYS 30 HB1 LYS 30 74.093 10.165 4.994 258 1HG LYS 30 HG2 LYS 30 73.869 11.485 6.825 259 2HG LYS 30 HG1 LYS 30 72.511 12.373 6.130 260 1HD LYS 30 HD2 LYS 30 71.060 11.164 7.352 261 2HD LYS 30 HD1 LYS 30 71.683 9.672 6.649 262 1HE LYS 30 HE2 LYS 30 73.687 10.175 8.385 263 2HE LYS 30 HE1 LYS 30 72.348 10.947 9.259 264 1HZ LYS 30 HZ1 LYS 30 71.025 8.922 8.846 265 2HZ LYS 30 HZ3 LYS 30 72.394 8.180 8.171 266 3HZ LYS 30 HZ2 LYS 30 72.391 8.622 9.813 267 H TYR 31 HN TYR 31 72.077 10.500 1.870 268 HA TYR 31 HA TYR 31 74.685 9.944 0.513 269 1HB TYR 31 HB2 TYR 31 72.247 8.429 1.101 270 2HB TYR 31 HB1 TYR 31 72.718 8.331 -0.597 271 HD1 TYR 31 HD2 TYR 31 75.756 8.650 -0.140 272 HD2 TYR 31 HD1 TYR 31 72.789 6.188 1.756 273 HE1 TYR 31 HE2 TYR 31 77.506 7.007 0.464 274 HE2 TYR 31 HE1 TYR 31 74.542 4.542 2.355 275 HH TYR 31 HH TYR 31 77.479 5.005 2.637 276 H HIS 32 HN HIS 32 72.878 12.305 0.393 277 HA HIS 32 HA HIS 32 71.457 12.530 -2.034 278 1HB HIS 32 HB2 HIS 32 71.577 14.850 -1.431 279 2HB HIS 32 HB1 HIS 32 71.567 13.923 0.055 280 HD1 HIS 32 HD1 HIS 32 74.627 13.022 -0.082 281 HD2 HIS 32 HD2 HIS 32 73.216 16.928 -0.436 282 HE1 HIS 32 HE1 HIS 32 76.546 14.540 0.561 283 HA PRO 33 HA PRO 33 74.317 13.327 -5.265 284 1HB PRO 33 HB2 PRO 33 75.185 15.921 -5.518 285 2HB PRO 33 HB1 PRO 33 73.596 15.343 -6.062 286 1HG PRO 33 HG2 PRO 33 74.332 16.746 -3.538 287 2HG PRO 33 HG1 PRO 33 72.938 16.999 -4.602 288 1HD PRO 33 HD2 PRO 33 72.750 15.677 -2.328 289 2HD PRO 33 HD1 PRO 33 71.787 15.206 -3.739 290 H ASP 34 HN ASP 34 75.497 12.229 -3.291 291 HA ASP 34 HA ASP 34 78.311 13.256 -3.278 292 1HB ASP 34 HB2 ASP 34 78.470 12.721 -0.930 293 2HB ASP 34 HB1 ASP 34 76.998 13.669 -1.127 294 H ARG 35 HN ARG 35 76.024 10.584 -3.046 295 HA ARG 35 HA ARG 35 78.172 8.612 -3.692 296 1HB ARG 35 HB2 ARG 35 76.496 6.975 -2.824 297 2HB ARG 35 HB1 ARG 35 76.857 8.209 -1.618 298 1HG ARG 35 HG2 ARG 35 74.480 8.033 -1.615 299 2HG ARG 35 HG1 ARG 35 74.822 9.475 -2.551 300 1HD ARG 35 HD2 ARG 35 73.797 8.597 -4.351 301 2HD ARG 35 HD1 ARG 35 74.820 7.149 -4.268 302 HE ARG 35 HE ARG 35 73.202 6.435 -2.373 303 1HH1 ARG 35 HH21 ARG 35 71.002 7.421 -1.779 304 2HH1 ARG 35 HH22 ARG 35 69.913 7.516 -3.122 305 1HH2 ARG 35 HH11 ARG 35 72.384 7.028 -5.502 306 2HH2 ARG 35 HH12 ARG 35 70.695 7.297 -5.229 307 H ASN 36 HN ASN 36 75.211 10.179 -4.612 308 HA ASN 36 HA ASN 36 74.104 8.592 -6.611 309 1HB ASN 36 HB2 ASN 36 74.504 11.528 -6.123 310 2HB ASN 36 HB1 ASN 36 73.723 11.004 -7.613 311 1HD2 ASN 36 HD22 ASN 36 71.797 10.447 -4.032 312 2HD2 ASN 36 HD21 ASN 36 73.466 10.755 -4.048 313 H GLN 37 HN GLN 37 77.222 10.071 -6.557 314 HA GLN 37 HA GLN 37 77.659 10.248 -9.409 315 1HB GLN 37 HB2 GLN 37 79.784 9.951 -7.297 316 2HB GLN 37 HB1 GLN 37 79.813 10.950 -8.749 317 1HG GLN 37 HG2 GLN 37 77.658 12.017 -7.460 318 2HG GLN 37 HG1 GLN 37 78.644 11.523 -6.084 319 1HE2 GLN 37 HE22 GLN 37 80.173 14.357 -8.656 320 2HE2 GLN 37 HE21 GLN 37 79.041 13.238 -9.244 321 H GLY 38 HN GLY 38 76.959 7.549 -7.789 322 1HA GLY 38 HA2 GLY 38 77.253 5.335 -8.691 323 2HA GLY 38 HA1 GLY 38 78.722 5.891 -9.502 324 H ASP 39 HN ASP 39 79.487 7.345 -6.992 325 HA ASP 39 HA ASP 39 81.136 6.821 -5.340 326 1HB ASP 39 HB2 ASP 39 79.960 5.681 -3.480 327 2HB ASP 39 HB1 ASP 39 78.919 6.869 -4.263 328 H LYS 40 HN LYS 40 80.712 4.054 -3.946 329 HA LYS 40 HA LYS 40 82.754 2.645 -5.528 330 1HB LYS 40 HB2 LYS 40 81.954 2.920 -2.825 331 2HB LYS 40 HB1 LYS 40 81.748 1.220 -3.241 332 1HG LYS 40 HG2 LYS 40 84.031 1.638 -2.416 333 2HG LYS 40 HG1 LYS 40 84.061 1.156 -4.113 334 1HD LYS 40 HD2 LYS 40 83.876 3.790 -4.486 335 2HD LYS 40 HD1 LYS 40 84.623 3.823 -2.889 336 1HE LYS 40 HE2 LYS 40 85.824 1.932 -4.853 337 2HE LYS 40 HE1 LYS 40 86.096 3.662 -5.144 338 1HZ LYS 40 HZ1 LYS 40 86.499 2.300 -2.534 339 2HZ LYS 40 HZ3 LYS 40 87.748 2.700 -3.611 340 3HZ LYS 40 HZ2 LYS 40 86.828 3.930 -2.884 341 H GLU 41 HN GLU 41 79.485 1.885 -4.283 342 HA GLU 41 HA GLU 41 78.586 0.487 -6.611 343 1HB GLU 41 HB2 GLU 41 78.944 -1.854 -5.570 344 2HB GLU 41 HB1 GLU 41 80.375 -1.060 -6.235 345 1HG GLU 41 HG2 GLU 41 81.058 -0.300 -4.057 346 2HG GLU 41 HG1 GLU 41 79.540 -0.833 -3.339 347 H ALA 42 HN ALA 42 78.606 0.742 -3.089 348 HA ALA 42 HA ALA 42 76.194 -0.536 -2.387 349 1HB ALA 42 HB2 ALA 42 77.897 0.565 -0.894 350 2HB ALA 42 HB1 ALA 42 77.263 2.132 -1.396 351 3HB ALA 42 HB3 ALA 42 76.238 1.014 -0.497 352 H GLU 43 HN GLU 43 76.767 2.243 -4.349 353 HA GLU 43 HA GLU 43 74.686 3.980 -4.325 354 1HB GLU 43 HB2 GLU 43 76.343 3.642 -6.174 355 2HB GLU 43 HB1 GLU 43 75.386 2.263 -6.721 356 1HG GLU 43 HG2 GLU 43 74.311 3.787 -8.012 357 2HG GLU 43 HG1 GLU 43 73.464 4.195 -6.520 358 H ALA 44 HN ALA 44 74.424 0.691 -5.625 359 HA ALA 44 HA ALA 44 71.762 0.807 -6.404 360 1HB ALA 44 HB1 ALA 44 73.729 -1.003 -6.526 361 2HB ALA 44 HB3 ALA 44 72.827 -1.704 -5.182 362 3HB ALA 44 HB2 ALA 44 72.044 -1.473 -6.745 363 H LYS 45 HN LYS 45 72.944 -0.615 -3.320 364 HA LYS 45 HA LYS 45 70.456 -1.034 -2.110 365 1HB LYS 45 HB2 LYS 45 72.473 -1.748 -1.038 366 2HB LYS 45 HB1 LYS 45 73.124 -0.101 -1.008 367 1HG LYS 45 HG2 LYS 45 71.258 0.572 0.506 368 2HG LYS 45 HG1 LYS 45 70.686 -1.097 0.515 369 1HD LYS 45 HD2 LYS 45 72.304 -1.765 1.963 370 2HD LYS 45 HD1 LYS 45 73.549 -0.815 1.152 371 1HE LYS 45 HE2 LYS 45 73.256 0.980 2.543 372 2HE LYS 45 HE1 LYS 45 71.493 0.767 2.597 373 1HZ LYS 45 HZ3 LYS 45 72.153 -1.432 3.807 374 2HZ LYS 45 HZ2 LYS 45 73.576 -0.578 4.173 375 3HZ LYS 45 HZ1 LYS 45 72.067 0.024 4.673 376 H PHE 46 HN PHE 46 72.103 1.990 -2.770 377 HA PHE 46 HA PHE 46 70.495 3.618 -0.971 378 1HB PHE 46 HB2 PHE 46 72.075 4.415 -3.431 379 2HB PHE 46 HB1 PHE 46 71.647 5.442 -2.065 380 HD1 PHE 46 HD1 PHE 46 72.117 2.764 -0.227 381 HD2 PHE 46 HD2 PHE 46 74.464 5.158 -2.910 382 HE1 PHE 46 HE1 PHE 46 74.180 2.074 0.968 383 HE2 PHE 46 HE2 PHE 46 76.530 4.468 -1.719 384 HZ PHE 46 HZ PHE 46 76.386 2.926 0.220 385 H LYS 47 HN LYS 47 70.428 2.966 -4.511 386 HA LYS 47 HA LYS 47 67.893 4.493 -4.696 387 1HB LYS 47 HB2 LYS 47 68.567 4.718 -6.861 388 2HB LYS 47 HB1 LYS 47 70.070 3.943 -6.373 389 1HG LYS 47 HG2 LYS 47 67.617 2.448 -7.330 390 2HG LYS 47 HG1 LYS 47 68.996 2.855 -8.351 391 1HD LYS 47 HD2 LYS 47 70.160 1.697 -6.116 392 2HD LYS 47 HD1 LYS 47 68.717 0.718 -6.379 393 1HE LYS 47 HE2 LYS 47 70.605 -0.199 -7.685 394 2HE LYS 47 HE1 LYS 47 69.380 0.460 -8.787 395 1HZ LYS 47 HZ1 LYS 47 70.951 2.604 -8.076 396 2HZ LYS 47 HZ3 LYS 47 72.056 1.347 -8.349 397 3HZ LYS 47 HZ2 LYS 47 70.963 1.795 -9.570 398 H GLU 48 HN GLU 48 68.985 1.320 -4.115 399 HA GLU 48 HA GLU 48 66.862 -0.300 -5.145 400 1HB GLU 48 HB2 GLU 48 68.878 -0.375 -2.906 401 2HB GLU 48 HB1 GLU 48 67.648 -1.631 -2.989 402 1HG GLU 48 HG2 GLU 48 69.242 -0.929 -5.436 403 2HG GLU 48 HG1 GLU 48 69.937 -1.993 -4.211 404 H ILE 49 HN ILE 49 67.370 1.662 -2.342 405 HA ILE 49 HA ILE 49 65.123 0.965 -0.726 406 HB ILE 49 HB ILE 49 66.672 3.524 -1.175 407 1HG1 ILE 49 HG12 ILE 49 67.012 1.759 1.197 408 2HG1 ILE 49 HG11 ILE 49 67.668 1.195 -0.339 409 1HG2 ILE 49 HG21 ILE 49 64.713 2.727 0.971 410 2HG2 ILE 49 HG23 ILE 49 65.906 4.005 1.205 411 3HG2 ILE 49 HG22 ILE 49 64.681 4.163 -0.054 412 1HD1 ILE 49 HD12 ILE 49 68.708 3.554 -0.527 413 2HD1 ILE 49 HD11 ILE 49 68.377 3.688 1.196 414 3HD1 ILE 49 HD13 ILE 49 69.449 2.423 0.601 415 H LYS 50 HN LYS 50 65.632 3.473 -3.167 416 HA LYS 50 HA LYS 50 63.098 4.736 -3.112 417 1HB LYS 50 HB2 LYS 50 65.007 5.607 -4.330 418 2HB LYS 50 HB1 LYS 50 65.063 4.174 -5.355 419 1HG LYS 50 HG2 LYS 50 63.580 5.084 -6.776 420 2HG LYS 50 HG1 LYS 50 62.423 5.314 -5.465 421 1HD LYS 50 HD2 LYS 50 63.321 7.460 -4.918 422 2HD LYS 50 HD1 LYS 50 64.746 7.197 -5.925 423 1HE LYS 50 HE2 LYS 50 63.174 7.055 -7.926 424 2HE LYS 50 HE1 LYS 50 61.890 7.639 -6.848 425 1HZ LYS 50 HZ3 LYS 50 64.462 9.034 -6.796 426 2HZ LYS 50 HZ2 LYS 50 63.454 9.307 -8.137 427 3HZ LYS 50 HZ1 LYS 50 62.897 9.646 -6.569 428 H GLU 51 HN GLU 51 64.102 1.696 -4.600 429 HA GLU 51 HA GLU 51 61.770 1.308 -6.264 430 1HB GLU 51 HB2 GLU 51 63.742 0.081 -6.751 431 2HB GLU 51 HB1 GLU 51 63.937 -0.426 -5.073 432 1HG GLU 51 HG2 GLU 51 62.693 -2.266 -5.434 433 2HG GLU 51 HG1 GLU 51 61.364 -1.288 -6.055 434 H ALA 52 HN ALA 52 62.632 0.347 -2.950 435 HA ALA 52 HA ALA 52 60.698 -1.417 -2.135 436 1HB ALA 52 HB2 ALA 52 62.406 -0.315 -0.721 437 2HB ALA 52 HB1 ALA 52 61.489 1.189 -0.791 438 3HB ALA 52 HB3 ALA 52 60.813 -0.217 0.031 439 H TYR 53 HN TYR 53 60.183 1.990 -2.923 440 HA TYR 53 HA TYR 53 57.579 2.392 -1.959 441 1HB TYR 53 HB2 TYR 53 58.858 3.308 -4.554 442 2HB TYR 53 HB1 TYR 53 57.481 4.081 -3.773 443 HD1 TYR 53 HD2 TYR 53 59.300 2.927 -1.093 444 HD2 TYR 53 HD1 TYR 53 59.557 5.892 -4.193 445 HE1 TYR 53 HE2 TYR 53 60.847 4.247 0.299 446 HE2 TYR 53 HE1 TYR 53 61.100 7.216 -2.782 447 HH TYR 53 HH TYR 53 61.663 7.479 -0.413 448 H GLU 54 HN GLU 54 58.596 0.853 -5.008 449 HA GLU 54 HA GLU 54 55.995 0.495 -6.137 450 1HB GLU 54 HB2 GLU 54 58.249 -1.509 -6.347 451 2HB GLU 54 HB1 GLU 54 57.091 -1.033 -7.589 452 1HG GLU 54 HG2 GLU 54 58.405 1.329 -6.788 453 2HG GLU 54 HG1 GLU 54 59.660 0.106 -6.983 454 H VAL 55 HN VAL 55 57.510 -0.888 -3.387 455 HA VAL 55 HA VAL 55 55.673 -3.183 -3.424 456 HB VAL 55 HB VAL 55 58.352 -2.767 -2.692 457 1HG1 VAL 55 HG11 VAL 55 56.576 -3.170 -0.281 458 2HG1 VAL 55 HG13 VAL 55 58.229 -3.778 -0.319 459 3HG1 VAL 55 HG12 VAL 55 57.924 -2.050 -0.476 460 1HG2 VAL 55 HG21 VAL 55 56.990 -4.810 -3.559 461 2HG2 VAL 55 HG23 VAL 55 58.395 -5.102 -2.533 462 3HG2 VAL 55 HG22 VAL 55 56.771 -5.173 -1.849 463 H LEU 56 HN LEU 56 56.762 -0.756 -1.035 464 HA LEU 56 HA LEU 56 54.404 -1.238 0.637 465 1HB LEU 56 HB2 LEU 56 55.524 0.518 2.013 466 2HB LEU 56 HB1 LEU 56 56.606 -0.804 1.553 467 HG LEU 56 HG LEU 56 56.718 1.038 -0.565 468 1HD1 LEU 56 HD13 LEU 56 55.671 2.633 1.079 469 2HD1 LEU 56 HD12 LEU 56 57.092 2.421 2.100 470 3HD1 LEU 56 HD11 LEU 56 57.258 3.135 0.497 471 1HD2 LEU 56 HD23 LEU 56 58.523 0.220 1.708 472 2HD2 LEU 56 HD22 LEU 56 58.619 -0.241 0.014 473 3HD2 LEU 56 HD21 LEU 56 59.061 1.392 0.505 474 H THR 57 HN THR 57 55.292 1.217 -1.789 475 HA THR 57 HA THR 57 53.067 2.959 -0.892 476 HB THR 57 HB THR 57 53.934 4.525 -2.465 477 HG1 THR 57 HG1 THR 57 55.728 3.504 -3.881 478 1HG2 THR 57 HG23 THR 57 56.040 2.879 -1.101 479 2HG2 THR 57 HG22 THR 57 56.530 4.192 -2.172 480 3HG2 THR 57 HG21 THR 57 55.522 4.530 -0.767 481 H ASP 58 HN ASP 58 52.594 0.208 -1.916 482 HA ASP 58 HA ASP 58 50.482 0.874 -3.865 483 1HB ASP 58 HB2 ASP 58 53.038 -0.253 -4.539 484 2HB ASP 58 HB1 ASP 58 51.806 -1.500 -4.762 485 H SER 59 HN SER 59 48.743 0.004 -3.020 486 HA SER 59 HA SER 59 48.535 -1.598 -0.840 487 1HB SER 59 HB2 SER 59 46.280 -1.977 -1.551 488 2HB SER 59 HB1 SER 59 46.757 -0.441 -2.272 489 HG SER 59 HG SER 59 45.768 -2.324 -3.590 490 H GLN 60 HN GLN 60 49.507 -2.657 -4.012 491 HA GLN 60 HA GLN 60 48.895 -5.425 -3.858 492 1HB GLN 60 HB2 GLN 60 51.092 -3.814 -5.174 493 2HB GLN 60 HB1 GLN 60 50.886 -5.543 -5.461 494 1HG GLN 60 HG2 GLN 60 49.187 -5.166 -6.886 495 2HG GLN 60 HG1 GLN 60 48.346 -4.173 -5.694 496 1HE2 GLN 60 HE22 GLN 60 50.875 -2.318 -8.362 497 2HE2 GLN 60 HE21 GLN 60 51.123 -3.956 -7.989 498 H LYS 61 HN LYS 61 52.228 -4.187 -3.497 499 HA LYS 61 HA LYS 61 52.960 -6.502 -1.866 500 1HB LYS 61 HB2 LYS 61 54.784 -4.175 -2.059 501 2HB LYS 61 HB1 LYS 61 55.114 -5.880 -2.310 502 1HG LYS 61 HG2 LYS 61 53.858 -3.932 -4.247 503 2HG LYS 61 HG1 LYS 61 55.352 -4.844 -4.438 504 1HD LYS 61 HD2 LYS 61 53.210 -6.690 -3.919 505 2HD LYS 61 HD1 LYS 61 52.737 -5.622 -5.241 506 1HE LYS 61 HE2 LYS 61 55.464 -6.307 -5.685 507 2HE LYS 61 HE1 LYS 61 54.595 -7.812 -5.323 508 1HZ LYS 61 HZ1 LYS 61 53.344 -5.800 -7.066 509 2HZ LYS 61 HZ3 LYS 61 54.521 -6.832 -7.719 510 3HZ LYS 61 HZ2 LYS 61 53.112 -7.484 -7.028 511 H ARG 62 HN ARG 62 52.308 -3.075 -1.195 512 HA ARG 62 HA ARG 62 53.353 -3.136 1.459 513 1HB ARG 62 HB2 ARG 62 52.283 -1.023 1.661 514 2HB ARG 62 HB1 ARG 62 52.615 -1.170 -0.063 515 1HG ARG 62 HG2 ARG 62 50.290 -2.087 -0.359 516 2HG ARG 62 HG1 ARG 62 49.984 -1.711 1.336 517 1HD ARG 62 HD2 ARG 62 51.101 0.479 -0.371 518 2HD ARG 62 HD1 ARG 62 49.388 0.055 -0.577 519 HE ARG 62 HE ARG 62 50.628 0.946 1.989 520 1HH1 ARG 62 HH21 ARG 62 48.452 -0.839 2.676 521 2HH1 ARG 62 HH22 ARG 62 47.049 0.175 2.638 522 1HH2 ARG 62 HH11 ARG 62 48.589 2.684 0.804 523 2HH2 ARG 62 HH12 ARG 62 47.127 2.172 1.580 524 H ALA 63 HN ALA 63 50.300 -4.137 0.096 525 HA ALA 63 HA ALA 63 49.119 -4.666 2.761 526 1HB ALA 63 HB3 ALA 63 47.968 -3.769 0.597 527 2HB ALA 63 HB2 ALA 63 48.021 -5.447 0.056 528 3HB ALA 63 HB1 ALA 63 47.130 -5.019 1.517 529 H ALA 64 HN ALA 64 50.884 -6.219 0.233 530 HA ALA 64 HA ALA 64 50.154 -8.959 1.084 531 1HB ALA 64 HB2 ALA 64 50.430 -8.286 -1.296 532 2HB ALA 64 HB1 ALA 64 52.119 -7.899 -0.971 533 3HB ALA 64 HB3 ALA 64 51.557 -9.565 -0.842 534 H TYR 65 HN TYR 65 53.086 -6.903 0.959 535 HA TYR 65 HA TYR 65 54.820 -8.830 2.193 536 1HB TYR 65 HB2 TYR 65 54.805 -5.868 1.669 537 2HB TYR 65 HB1 TYR 65 56.113 -6.583 2.618 538 HD1 TYR 65 HD1 TYR 65 54.575 -8.806 0.216 539 HD2 TYR 65 HD2 TYR 65 57.619 -5.810 0.694 540 HE1 TYR 65 HE1 TYR 65 55.668 -9.585 -1.869 541 HE2 TYR 65 HE2 TYR 65 58.709 -6.591 -1.392 542 HH TYR 65 HH TYR 65 58.805 -8.372 -2.861 543 H ASP 66 HN ASP 66 52.619 -6.407 3.558 544 HA ASP 66 HA ASP 66 53.661 -6.164 6.162 545 1HB ASP 66 HB2 ASP 66 51.540 -5.316 6.674 546 2HB ASP 66 HB1 ASP 66 51.558 -5.164 4.918 547 H GLN 67 HN GLN 67 52.018 -8.874 4.646 548 HA GLN 67 HA GLN 67 52.281 -10.409 7.214 549 1HB GLN 67 HB2 GLN 67 50.386 -11.782 6.087 550 2HB GLN 67 HB1 GLN 67 49.969 -10.193 6.726 551 1HG GLN 67 HG2 GLN 67 49.886 -9.213 4.595 552 2HG GLN 67 HG1 GLN 67 50.867 -10.486 3.869 553 1HE2 GLN 67 HE22 GLN 67 47.365 -11.189 2.865 554 2HE2 GLN 67 HE21 GLN 67 48.507 -9.972 2.557 555 H TYR 68 HN TYR 68 53.856 -9.982 4.429 556 HA TYR 68 HA TYR 68 55.211 -11.353 3.051 557 1HB TYR 68 HB2 TYR 68 55.044 -12.553 5.777 558 2HB TYR 68 HB1 TYR 68 55.765 -13.552 4.512 559 HD1 TYR 68 HD2 TYR 68 57.758 -12.735 3.252 560 HD2 TYR 68 HD1 TYR 68 56.157 -10.598 6.616 561 HE1 TYR 68 HE2 TYR 68 59.864 -11.437 3.429 562 HE2 TYR 68 HE1 TYR 68 58.261 -9.300 6.794 563 HH TYR 68 HH TYR 68 60.195 -8.670 4.903 564 H GLY 69 HN GLY 69 52.184 -11.732 3.063 565 1HA GLY 69 HA2 GLY 69 50.885 -13.097 1.581 566 2HA GLY 69 HA1 GLY 69 52.196 -14.281 1.565 567 H HIS 70 HN HIS 70 49.182 -14.382 2.308 568 HA HIS 70 HA HIS 70 48.740 -14.845 5.018 569 1HB HIS 70 HB2 HIS 70 47.058 -16.527 4.163 570 2HB HIS 70 HB1 HIS 70 47.009 -14.979 3.315 571 HD1 HIS 70 HD1 HIS 70 46.924 -15.241 0.848 572 HD2 HIS 70 HD2 HIS 70 49.005 -18.379 2.636 573 HE1 HIS 70 HE1 HIS 70 47.643 -16.783 -1.028 574 H ALA 71 HN ALA 71 50.730 -16.693 2.833 575 HA ALA 71 HA ALA 71 50.836 -19.254 3.894 576 1HB ALA 71 HB3 ALA 71 52.179 -18.047 2.023 577 2HB ALA 71 HB2 ALA 71 53.322 -17.645 3.306 578 3HB ALA 71 HB1 ALA 71 52.992 -19.333 2.916 579 H ALA 72 HN ALA 72 52.396 -16.324 5.213 580 HA ALA 72 HA ALA 72 53.838 -17.546 7.338 581 1HB ALA 72 HB3 ALA 72 52.450 -14.849 7.161 582 2HB ALA 72 HB2 ALA 72 53.725 -15.260 8.308 583 3HB ALA 72 HB1 ALA 72 54.075 -15.207 6.581 584 H PHE 73 HN PHE 73 50.455 -17.191 6.844 585 HA PHE 73 HA PHE 73 49.942 -17.940 9.708 586 1HB PHE 73 HB2 PHE 73 48.328 -16.247 7.771 587 2HB PHE 73 HB1 PHE 73 47.796 -16.690 9.398 588 HD1 PHE 73 HD1 PHE 73 49.835 -16.318 11.217 589 HD2 PHE 73 HD2 PHE 73 49.204 -14.101 7.592 590 HE1 PHE 73 HE1 PHE 73 51.122 -14.417 12.154 591 HE2 PHE 73 HE2 PHE 73 50.492 -12.201 8.530 592 HZ PHE 73 HZ PHE 73 51.452 -12.359 10.810 593 H GLU 74 HN GLU 74 50.222 -19.391 6.909 594 HA GLU 74 HA GLU 74 49.262 -21.328 5.956 595 1HB GLU 74 HB2 GLU 74 47.565 -21.363 8.463 596 2HB GLU 74 HB1 GLU 74 48.132 -22.741 7.519 597 1HG GLU 74 HG2 GLU 74 50.461 -21.343 8.221 598 2HG GLU 74 HG1 GLU 74 49.466 -21.333 9.678 599 H GLN 75 HN GLN 75 46.482 -22.169 6.430 600 HA GLN 75 HA GLN 75 44.930 -19.867 5.324 601 1HB GLN 75 HB2 GLN 75 44.975 -22.666 4.160 602 2HB GLN 75 HB1 GLN 75 44.215 -21.235 3.463 603 1HG GLN 75 HG2 GLN 75 46.486 -20.170 3.334 604 2HG GLN 75 HG1 GLN 75 47.183 -21.704 3.856 605 1HE2 GLN 75 HE22 GLN 75 46.624 -23.331 0.732 606 2HE2 GLN 75 HE21 GLN 75 46.928 -23.579 2.384 607 H GLY 76 HN GLY 76 42.846 -22.044 4.684 608 1HA GLY 76 HA2 GLY 76 42.032 -22.697 7.481 609 2HA GLY 76 HA1 GLY 76 40.886 -21.923 6.386 610 H GLY 77 HN GLY 77 42.863 -24.848 6.803 611 1HA GLY 77 HA2 GLY 77 41.976 -26.366 4.625 612 2HA GLY 77 HA1 GLY 77 42.384 -27.067 6.192 No H/Q in entry = 612 Start of MODEL 7 1 1H ALA 1 HT2 ALA 1 70.812 -12.941 3.872 2 2H ALA 1 HT1 ALA 1 69.551 -14.001 3.454 3 3H ALA 1 HT3 ALA 1 70.625 -13.448 2.262 4 HA ALA 1 HA ALA 1 69.743 -11.284 2.281 5 1HB ALA 1 HB3 ALA 1 67.836 -13.596 2.427 6 2HB ALA 1 HB2 ALA 1 67.183 -11.969 2.229 7 3HB ALA 1 HB1 ALA 1 68.301 -12.622 1.031 8 H LYS 2 HN LYS 2 70.027 -9.909 4.053 9 HA LYS 2 HA LYS 2 68.200 -10.316 6.397 10 1HB LYS 2 HB2 LYS 2 70.978 -9.195 6.034 11 2HB LYS 2 HB1 LYS 2 70.027 -8.793 7.464 12 1HG LYS 2 HG2 LYS 2 69.914 -11.641 6.916 13 2HG LYS 2 HG1 LYS 2 71.583 -11.098 7.087 14 1HD LYS 2 HD2 LYS 2 69.533 -10.156 9.065 15 2HD LYS 2 HD1 LYS 2 70.203 -11.779 9.227 16 1HE LYS 2 HE2 LYS 2 72.048 -10.896 10.196 17 2HE LYS 2 HE1 LYS 2 72.377 -9.988 8.707 18 1HZ LYS 2 HZ2 LYS 2 70.384 -8.556 9.611 19 2HZ LYS 2 HZ1 LYS 2 70.922 -9.151 11.110 20 3HZ LYS 2 HZ3 LYS 2 71.978 -8.261 10.124 21 H GLN 3 HN GLN 3 67.652 -8.866 3.794 22 HA GLN 3 HA GLN 3 66.915 -6.227 5.007 23 1HB GLN 3 HB2 GLN 3 68.070 -6.727 2.242 24 2HB GLN 3 HB1 GLN 3 67.620 -5.156 2.904 25 1HG GLN 3 HG2 GLN 3 69.654 -4.968 3.838 26 2HG GLN 3 HG1 GLN 3 69.357 -6.429 4.779 27 1HE2 GLN 3 HE22 GLN 3 71.388 -6.771 1.213 28 2HE2 GLN 3 HE21 GLN 3 70.329 -5.464 1.440 29 H ASP 4 HN ASP 4 65.191 -5.132 3.572 30 HA ASP 4 HA ASP 4 63.719 -6.519 1.598 31 1HB ASP 4 HB2 ASP 4 62.713 -8.159 2.796 32 2HB ASP 4 HB1 ASP 4 63.512 -7.570 4.251 33 H TYR 5 HN TYR 5 63.647 -4.419 0.830 34 HA TYR 5 HA TYR 5 63.056 -2.086 0.898 35 1HB TYR 5 HB2 TYR 5 60.280 -2.657 0.915 36 2HB TYR 5 HB1 TYR 5 61.331 -2.447 -0.476 37 HD1 TYR 5 HD2 TYR 5 60.048 -4.985 1.934 38 HD2 TYR 5 HD1 TYR 5 62.015 -4.272 -1.819 39 HE1 TYR 5 HE2 TYR 5 59.850 -7.393 1.368 40 HE2 TYR 5 HE1 TYR 5 61.821 -6.683 -2.377 41 HH TYR 5 HH TYR 5 60.136 -8.941 -0.195 42 H TYR 6 HN TYR 6 60.306 -3.386 2.792 43 HA TYR 6 HA TYR 6 59.954 -1.196 4.484 44 1HB TYR 6 HB2 TYR 6 59.624 -4.171 4.845 45 2HB TYR 6 HB1 TYR 6 59.181 -3.043 6.130 46 HD1 TYR 6 HD1 TYR 6 57.532 -1.214 5.668 47 HD2 TYR 6 HD2 TYR 6 58.234 -4.418 2.891 48 HE1 TYR 6 HE1 TYR 6 55.409 -0.677 4.505 49 HE2 TYR 6 HE2 TYR 6 56.101 -3.877 1.730 50 HH TYR 6 HH TYR 6 54.141 -1.078 2.756 51 H GLU 7 HN GLU 7 62.430 -3.718 4.546 52 HA GLU 7 HA GLU 7 63.592 -2.702 7.088 53 1HB GLU 7 HB2 GLU 7 63.487 -5.146 5.754 54 2HB GLU 7 HB1 GLU 7 65.129 -4.588 5.435 55 1HG GLU 7 HG2 GLU 7 64.506 -4.051 8.181 56 2HG GLU 7 HG1 GLU 7 64.111 -5.736 7.835 57 H ILE 8 HN ILE 8 64.014 -2.624 3.614 58 HA ILE 8 HA ILE 8 66.590 -1.582 3.270 59 HB ILE 8 HB ILE 8 63.973 -1.087 1.894 60 1HG1 ILE 8 HG12 ILE 8 65.042 -3.424 2.030 61 2HG1 ILE 8 HG11 ILE 8 64.663 -2.835 0.410 62 1HG2 ILE 8 HG22 ILE 8 66.759 -0.332 1.042 63 2HG2 ILE 8 HG21 ILE 8 65.378 -0.393 -0.054 64 3HG2 ILE 8 HG23 ILE 8 65.384 0.746 1.291 65 1HD1 ILE 8 HD12 ILE 8 67.364 -2.258 1.584 66 2HD1 ILE 8 HD11 ILE 8 67.040 -3.858 0.916 67 3HD1 ILE 8 HD13 ILE 8 66.897 -2.429 -0.108 68 H LEU 9 HN LEU 9 63.532 0.123 3.773 69 HA LEU 9 HA LEU 9 64.786 2.774 4.022 70 1HB LEU 9 HB2 LEU 9 61.990 1.702 4.521 71 2HB LEU 9 HB1 LEU 9 62.417 3.407 4.343 72 HG LEU 9 HG LEU 9 63.459 1.764 2.173 73 1HD1 LEU 9 HD11 LEU 9 60.858 1.084 3.066 74 2HD1 LEU 9 HD13 LEU 9 60.657 2.041 1.598 75 3HD1 LEU 9 HD12 LEU 9 61.649 0.584 1.574 76 1HD2 LEU 9 HD22 LEU 9 63.252 4.281 2.291 77 2HD2 LEU 9 HD21 LEU 9 62.564 3.566 0.833 78 3HD2 LEU 9 HD23 LEU 9 61.507 4.080 2.147 79 H GLY 10 HN GLY 10 64.609 0.138 6.051 80 1HA GLY 10 HA2 GLY 10 65.181 -0.014 8.334 81 2HA GLY 10 HA1 GLY 10 65.216 1.748 8.406 82 H VAL 11 HN VAL 11 62.344 0.578 6.987 83 HA VAL 11 HA VAL 11 60.881 1.273 9.493 84 HB VAL 11 HB VAL 11 59.112 0.621 7.357 85 1HG1 VAL 11 HG13 VAL 11 59.978 3.132 8.758 86 2HG1 VAL 11 HG12 VAL 11 58.756 3.160 7.487 87 3HG1 VAL 11 HG11 VAL 11 58.481 2.220 8.953 88 1HG2 VAL 11 HG21 VAL 11 61.515 2.196 6.507 89 2HG2 VAL 11 HG23 VAL 11 60.624 0.956 5.625 90 3HG2 VAL 11 HG22 VAL 11 59.928 2.562 5.834 91 H SER 12 HN SER 12 58.727 -0.073 9.654 92 HA SER 12 HA SER 12 59.524 -2.893 9.942 93 1HB SER 12 HB2 SER 12 57.577 -1.002 11.039 94 2HB SER 12 HB1 SER 12 56.881 -2.588 10.720 95 HG SER 12 HG SER 12 58.797 -1.800 12.555 96 H LYS 13 HN LYS 13 58.414 -4.618 8.857 97 HA LYS 13 HA LYS 13 57.645 -4.191 6.182 98 1HB LYS 13 HB2 LYS 13 56.863 -6.448 6.284 99 2HB LYS 13 HB1 LYS 13 58.224 -6.338 7.398 100 1HG LYS 13 HG2 LYS 13 56.132 -5.641 9.029 101 2HG LYS 13 HG1 LYS 13 55.369 -6.824 7.966 102 1HD LYS 13 HD2 LYS 13 56.321 -8.449 9.200 103 2HD LYS 13 HD1 LYS 13 57.890 -7.906 8.604 104 1HE LYS 13 HE2 LYS 13 57.913 -6.196 10.480 105 2HE LYS 13 HE1 LYS 13 56.478 -7.010 11.138 106 1HZ LYS 13 HZ3 LYS 13 58.907 -8.518 10.375 107 2HZ LYS 13 HZ2 LYS 13 58.735 -7.848 11.927 108 3HZ LYS 13 HZ1 LYS 13 57.630 -9.014 11.375 109 H THR 14 HN THR 14 55.978 -3.579 9.119 110 HA THR 14 HA THR 14 53.361 -3.246 7.741 111 HB THR 14 HB THR 14 52.444 -3.646 9.827 112 HG1 THR 14 HG1 THR 14 53.000 -2.095 11.126 113 1HG2 THR 14 HG23 THR 14 54.249 -5.428 9.287 114 2HG2 THR 14 HG22 THR 14 55.187 -4.657 10.565 115 3HG2 THR 14 HG21 THR 14 53.617 -5.372 10.933 116 H ALA 15 HN ALA 15 56.032 -1.439 7.988 117 HA ALA 15 HA ALA 15 55.474 0.970 9.305 118 1HB ALA 15 HB3 ALA 15 57.563 0.223 8.213 119 2HB ALA 15 HB2 ALA 15 56.815 0.500 6.640 120 3HB ALA 15 HB1 ALA 15 57.100 1.853 7.733 121 H GLU 16 HN GLU 16 55.712 2.598 6.772 122 HA GLU 16 HA GLU 16 53.119 2.407 5.450 123 1HB GLU 16 HB2 GLU 16 53.603 4.032 7.819 124 2HB GLU 16 HB1 GLU 16 53.134 5.038 6.444 125 1HG GLU 16 HG2 GLU 16 51.311 3.118 6.125 126 2HG GLU 16 HG1 GLU 16 51.582 2.908 7.857 127 H GLU 17 HN GLU 17 53.066 4.965 4.417 128 HA GLU 17 HA GLU 17 55.413 4.926 2.628 129 1HB GLU 17 HB2 GLU 17 54.031 6.367 1.265 130 2HB GLU 17 HB1 GLU 17 53.005 5.084 1.907 131 1HG GLU 17 HG2 GLU 17 52.442 6.685 3.819 132 2HG GLU 17 HG1 GLU 17 53.200 7.949 2.849 133 H ARG 18 HN ARG 18 54.302 6.836 5.341 134 HA ARG 18 HA ARG 18 55.833 9.220 4.572 135 1HB ARG 18 HB2 ARG 18 54.989 10.026 6.778 136 2HB ARG 18 HB1 ARG 18 53.702 9.362 5.770 137 1HG ARG 18 HG2 ARG 18 53.656 7.318 6.999 138 2HG ARG 18 HG1 ARG 18 55.178 7.690 7.809 139 1HD ARG 18 HD2 ARG 18 54.138 8.940 9.405 140 2HD ARG 18 HD1 ARG 18 53.098 9.743 8.212 141 HE ARG 18 HE ARG 18 52.289 7.020 8.388 142 1HH1 ARG 18 HH11 ARG 18 52.935 8.859 11.074 143 2HH1 ARG 18 HH12 ARG 18 51.307 8.926 11.660 144 1HH2 ARG 18 HH21 ARG 18 49.930 7.551 8.791 145 2HH2 ARG 18 HH22 ARG 18 49.608 8.183 10.372 146 H GLU 19 HN GLU 19 56.520 6.360 6.410 147 HA GLU 19 HA GLU 19 58.895 7.616 7.651 148 1HB GLU 19 HB2 GLU 19 58.895 5.338 8.819 149 2HB GLU 19 HB1 GLU 19 57.524 6.372 9.183 150 1HG GLU 19 HG2 GLU 19 57.229 4.556 6.850 151 2HG GLU 19 HG1 GLU 19 57.264 3.789 8.438 152 H ILE 20 HN ILE 20 57.814 5.663 5.061 153 HA ILE 20 HA ILE 20 60.363 4.265 4.616 154 HB ILE 20 HB ILE 20 57.620 4.051 3.914 155 1HG1 ILE 20 HG12 ILE 20 59.062 2.056 2.554 156 2HG1 ILE 20 HG11 ILE 20 60.025 2.465 3.974 157 1HG2 ILE 20 HG21 ILE 20 58.189 5.377 1.872 158 2HG2 ILE 20 HG23 ILE 20 59.345 4.123 1.435 159 3HG2 ILE 20 HG22 ILE 20 57.628 3.753 1.531 160 1HD1 ILE 20 HD12 ILE 20 57.509 2.405 5.044 161 2HD1 ILE 20 HD11 ILE 20 57.382 1.158 3.803 162 3HD1 ILE 20 HD13 ILE 20 58.620 1.035 5.053 163 H ARG 21 HN ARG 21 58.435 6.837 3.042 164 HA ARG 21 HA ARG 21 60.362 7.603 1.072 165 1HB ARG 21 HB2 ARG 21 59.072 9.764 1.179 166 2HB ARG 21 HB1 ARG 21 58.007 8.361 1.115 167 1HG ARG 21 HG2 ARG 21 57.048 9.566 2.858 168 2HG ARG 21 HG1 ARG 21 58.143 8.513 3.746 169 1HD ARG 21 HD2 ARG 21 58.919 10.460 4.670 170 2HD ARG 21 HD1 ARG 21 59.774 10.661 3.129 171 HE ARG 21 HE ARG 21 58.072 12.186 2.410 172 1HH1 ARG 21 HH11 ARG 21 58.085 11.773 5.717 173 2HH1 ARG 21 HH12 ARG 21 56.474 12.350 5.985 174 1HH2 ARG 21 HH21 ARG 21 55.674 12.468 2.613 175 2HH2 ARG 21 HH22 ARG 21 55.108 12.742 4.226 176 H LYS 22 HN LYS 22 59.851 8.329 4.433 177 HA LYS 22 HA LYS 22 61.724 10.409 4.891 178 1HB LYS 22 HB2 LYS 22 59.799 9.365 6.279 179 2HB LYS 22 HB1 LYS 22 60.978 8.158 6.779 180 1HG LYS 22 HG2 LYS 22 61.117 11.155 7.219 181 2HG LYS 22 HG1 LYS 22 60.970 9.902 8.449 182 1HD LYS 22 HD2 LYS 22 63.347 10.336 6.621 183 2HD LYS 22 HD1 LYS 22 63.282 10.696 8.339 184 1HE LYS 22 HE2 LYS 22 62.458 7.955 7.893 185 2HE LYS 22 HE1 LYS 22 64.057 8.245 7.182 186 1HZ LYS 22 HZ1 LYS 22 63.335 9.257 9.867 187 2HZ LYS 22 HZ3 LYS 22 63.991 7.708 9.652 188 3HZ LYS 22 HZ2 LYS 22 64.883 9.079 9.190 189 H ALA 23 HN ALA 23 62.084 6.872 5.360 190 HA ALA 23 HA ALA 23 64.705 6.701 6.263 191 1HB ALA 23 HB2 ALA 23 63.098 4.838 5.879 192 2HB ALA 23 HB1 ALA 23 63.346 5.007 4.141 193 3HB ALA 23 HB3 ALA 23 64.679 4.492 5.175 194 H TYR 24 HN TYR 24 63.720 6.615 2.851 195 HA TYR 24 HA TYR 24 66.355 6.820 1.752 196 1HB TYR 24 HB2 TYR 24 64.169 6.045 0.699 197 2HB TYR 24 HB1 TYR 24 63.707 7.738 0.583 198 HD1 TYR 24 HD1 TYR 24 67.223 6.628 0.192 199 HD2 TYR 24 HD2 TYR 24 63.616 7.791 -1.836 200 HE1 TYR 24 HE1 TYR 24 68.490 6.885 -1.918 201 HE2 TYR 24 HE2 TYR 24 64.888 8.043 -3.947 202 HH TYR 24 HH TYR 24 67.037 8.289 -4.778 203 H LYS 25 HN LYS 25 64.259 9.009 3.267 204 HA LYS 25 HA LYS 25 65.338 11.450 2.075 205 1HB LYS 25 HB2 LYS 25 63.097 10.448 3.542 206 2HB LYS 25 HB1 LYS 25 63.792 11.787 4.451 207 1HG LYS 25 HG2 LYS 25 62.571 13.103 3.049 208 2HG LYS 25 HG1 LYS 25 63.845 12.759 1.877 209 1HD LYS 25 HD2 LYS 25 62.598 10.805 1.065 210 2HD LYS 25 HD1 LYS 25 61.333 11.109 2.254 211 1HE LYS 25 HE2 LYS 25 61.157 13.470 1.178 212 2HE LYS 25 HE1 LYS 25 62.042 12.750 -0.182 213 1HZ LYS 25 HZ3 LYS 25 60.407 10.916 -0.152 214 2HZ LYS 25 HZ2 LYS 25 59.510 11.761 1.018 215 3HZ LYS 25 HZ1 LYS 25 59.709 12.412 -0.539 216 H ARG 26 HN ARG 26 65.204 10.034 5.362 217 HA ARG 26 HA ARG 26 67.274 11.861 6.343 218 1HB ARG 26 HB2 ARG 26 65.315 9.917 7.348 219 2HB ARG 26 HB1 ARG 26 66.829 9.909 8.251 220 1HG ARG 26 HG2 ARG 26 66.442 12.583 8.000 221 2HG ARG 26 HG1 ARG 26 64.767 12.030 8.040 222 1HD ARG 26 HD2 ARG 26 64.905 11.388 10.238 223 2HD ARG 26 HD1 ARG 26 66.568 10.792 10.058 224 HE ARG 26 HE ARG 26 67.327 13.159 10.126 225 1HH1 ARG 26 HH21 ARG 26 64.697 14.466 9.514 226 2HH1 ARG 26 HH22 ARG 26 64.202 15.034 11.074 227 1HH2 ARG 26 HH11 ARG 26 66.432 13.024 12.808 228 2HH2 ARG 26 HH12 ARG 26 65.187 14.222 12.937 229 H LEU 27 HN LEU 27 67.080 8.466 5.319 230 HA LEU 27 HA LEU 27 69.747 7.814 6.309 231 1HB LEU 27 HB2 LEU 27 69.169 5.670 5.681 232 2HB LEU 27 HB1 LEU 27 67.553 6.366 5.788 233 HG LEU 27 HG LEU 27 68.002 6.984 3.260 234 1HD1 LEU 27 HD11 LEU 27 70.407 5.885 3.730 235 2HD1 LEU 27 HD13 LEU 27 69.534 4.426 3.258 236 3HD1 LEU 27 HD12 LEU 27 69.630 5.795 2.150 237 1HD2 LEU 27 HD23 LEU 27 66.498 5.114 4.523 238 2HD2 LEU 27 HD22 LEU 27 66.569 5.258 2.766 239 3HD2 LEU 27 HD21 LEU 27 67.564 4.060 3.594 240 H ALA 28 HN ALA 28 68.309 8.819 3.229 241 HA ALA 28 HA ALA 28 70.799 8.352 1.772 242 1HB ALA 28 HB1 ALA 28 68.278 8.289 1.040 243 2HB ALA 28 HB3 ALA 28 68.502 10.024 0.818 244 3HB ALA 28 HB2 ALA 28 69.495 8.884 -0.090 245 H MET 29 HN MET 29 69.030 11.165 3.072 246 HA MET 29 HA MET 29 70.715 13.199 2.039 247 1HB MET 29 HB2 MET 29 69.802 14.518 3.850 248 2HB MET 29 HB1 MET 29 68.544 13.373 3.388 249 1HG MET 29 HG2 MET 29 69.058 11.934 5.245 250 2HG MET 29 HG1 MET 29 70.521 12.844 5.619 251 1HE MET 29 HE3 MET 29 70.422 15.263 5.479 252 2HE MET 29 HE2 MET 29 68.939 16.213 5.430 253 3HE MET 29 HE1 MET 29 69.774 15.976 6.963 254 H LYS 30 HN LYS 30 71.145 10.828 4.570 255 HA LYS 30 HA LYS 30 73.672 12.045 5.536 256 1HB LYS 30 HB2 LYS 30 71.696 10.036 6.359 257 2HB LYS 30 HB1 LYS 30 73.357 9.521 6.656 258 1HG LYS 30 HG2 LYS 30 73.403 10.843 8.477 259 2HG LYS 30 HG1 LYS 30 73.212 12.246 7.424 260 1HD LYS 30 HD2 LYS 30 70.730 11.866 7.474 261 2HD LYS 30 HD1 LYS 30 70.995 10.599 8.672 262 1HE LYS 30 HE2 LYS 30 72.383 12.551 9.880 263 2HE LYS 30 HE1 LYS 30 71.240 13.562 8.973 264 1HZ LYS 30 HZ2 LYS 30 69.503 11.884 9.769 265 2HZ LYS 30 HZ1 LYS 30 70.655 11.426 10.930 266 3HZ LYS 30 HZ3 LYS 30 70.073 13.018 10.899 267 H TYR 31 HN TYR 31 72.574 9.758 3.206 268 HA TYR 31 HA TYR 31 75.340 8.642 2.872 269 1HB TYR 31 HB2 TYR 31 72.586 7.587 2.737 270 2HB TYR 31 HB1 TYR 31 73.620 7.076 1.404 271 HD1 TYR 31 HD1 TYR 31 76.272 6.991 2.723 272 HD2 TYR 31 HD2 TYR 31 72.429 5.687 4.122 273 HE1 TYR 31 HE1 TYR 31 77.375 5.350 4.218 274 HE2 TYR 31 HE2 TYR 31 73.529 4.045 5.617 275 HH TYR 31 HH TYR 31 75.718 3.733 6.710 276 H HIS 32 HN HIS 32 73.779 11.106 1.800 277 HA HIS 32 HA HIS 32 73.360 10.929 -0.982 278 1HB HIS 32 HB2 HIS 32 73.410 13.360 -0.713 279 2HB HIS 32 HB1 HIS 32 72.682 12.626 0.700 280 HD1 HIS 32 HD1 HIS 32 73.675 15.128 1.604 281 HD2 HIS 32 HD2 HIS 32 76.330 11.953 1.118 282 HE1 HIS 32 HE1 HIS 32 75.718 15.688 2.991 283 HA PRO 33 HA PRO 33 77.257 11.292 -2.925 284 1HB PRO 33 HB2 PRO 33 78.237 13.827 -3.291 285 2HB PRO 33 HB1 PRO 33 76.933 13.121 -4.268 286 1HG PRO 33 HG2 PRO 33 76.769 14.998 -1.972 287 2HG PRO 33 HG1 PRO 33 75.822 14.956 -3.465 288 1HD PRO 33 HD2 PRO 33 74.923 14.080 -1.100 289 2HD PRO 33 HD1 PRO 33 74.364 13.407 -2.646 290 H ASP 34 HN ASP 34 77.509 10.692 -0.346 291 HA ASP 34 HA ASP 34 80.000 12.059 0.612 292 1HB ASP 34 HB2 ASP 34 79.324 11.248 2.821 293 2HB ASP 34 HB1 ASP 34 77.942 12.056 2.086 294 H ARG 35 HN ARG 35 78.347 8.962 0.121 295 HA ARG 35 HA ARG 35 80.983 7.658 -0.350 296 1HB ARG 35 HB2 ARG 35 80.168 5.749 1.001 297 2HB ARG 35 HB1 ARG 35 80.183 7.224 1.968 298 1HG ARG 35 HG2 ARG 35 78.067 6.270 2.424 299 2HG ARG 35 HG1 ARG 35 77.722 7.506 1.214 300 1HD ARG 35 HD2 ARG 35 76.848 5.921 -0.126 301 2HD ARG 35 HD1 ARG 35 78.428 5.115 -0.177 302 HE ARG 35 HE ARG 35 76.428 4.608 1.996 303 1HH1 ARG 35 HH11 ARG 35 79.551 3.886 1.142 304 2HH1 ARG 35 HH12 ARG 35 79.357 2.165 1.132 305 1HH2 ARG 35 HH21 ARG 35 75.905 2.286 1.419 306 2HH2 ARG 35 HH22 ARG 35 77.293 1.260 1.282 307 H ASN 36 HN ASN 36 77.483 7.862 -0.896 308 HA ASN 36 HA ASN 36 76.867 5.640 -2.410 309 1HB ASN 36 HB2 ASN 36 76.035 8.407 -2.145 310 2HB ASN 36 HB1 ASN 36 75.821 7.848 -3.803 311 1HD2 ASN 36 HD22 ASN 36 72.980 6.834 -1.339 312 2HD2 ASN 36 HD21 ASN 36 73.899 8.259 -1.333 313 H GLN 37 HN GLN 37 79.087 8.200 -3.247 314 HA GLN 37 HA GLN 37 79.295 8.257 -5.972 315 1HB GLN 37 HB2 GLN 37 81.603 7.754 -4.066 316 2HB GLN 37 HB1 GLN 37 81.678 8.613 -5.604 317 1HG GLN 37 HG2 GLN 37 79.614 9.834 -4.084 318 2HG GLN 37 HG1 GLN 37 81.004 9.655 -3.012 319 1HE2 GLN 37 HE22 GLN 37 82.807 12.235 -4.582 320 2HE2 GLN 37 HE21 GLN 37 82.639 11.200 -3.247 321 H GLY 38 HN GLY 38 79.951 5.478 -3.904 322 1HA GLY 38 HA2 GLY 38 81.308 3.916 -5.941 323 2HA GLY 38 HA1 GLY 38 80.617 3.283 -4.445 324 H ASP 39 HN ASP 39 79.443 4.735 -7.506 325 HA ASP 39 HA ASP 39 76.834 3.630 -7.452 326 1HB ASP 39 HB2 ASP 39 77.022 3.994 -9.956 327 2HB ASP 39 HB1 ASP 39 77.492 5.385 -8.977 328 H LYS 40 HN LYS 40 79.861 2.055 -7.913 329 HA LYS 40 HA LYS 40 78.758 -0.212 -9.440 330 1HB LYS 40 HB2 LYS 40 81.262 1.000 -8.913 331 2HB LYS 40 HB1 LYS 40 81.349 -0.642 -8.274 332 1HG LYS 40 HG2 LYS 40 80.483 -1.490 -10.465 333 2HG LYS 40 HG1 LYS 40 80.559 0.158 -11.091 334 1HD LYS 40 HD2 LYS 40 82.865 0.181 -11.148 335 2HD LYS 40 HD1 LYS 40 83.014 -0.939 -9.793 336 1HE LYS 40 HE2 LYS 40 81.759 -2.500 -11.697 337 2HE LYS 40 HE1 LYS 40 82.873 -1.520 -12.671 338 1HZ LYS 40 HZ1 LYS 40 83.823 -2.597 -10.115 339 2HZ LYS 40 HZ3 LYS 40 83.715 -3.659 -11.434 340 3HZ LYS 40 HZ2 LYS 40 84.689 -2.272 -11.540 341 H GLU 41 HN GLU 41 77.779 0.476 -6.653 342 HA GLU 41 HA GLU 41 77.469 -2.159 -5.608 343 1HB GLU 41 HB2 GLU 41 79.050 -1.564 -3.547 344 2HB GLU 41 HB1 GLU 41 79.721 -2.288 -5.007 345 1HG GLU 41 HG2 GLU 41 80.581 -0.232 -5.779 346 2HG GLU 41 HG1 GLU 41 79.533 0.706 -4.718 347 H ALA 42 HN ALA 42 77.804 1.291 -4.857 348 HA ALA 42 HA ALA 42 75.829 1.132 -2.669 349 1HB ALA 42 HB1 ALA 42 77.853 2.972 -3.722 350 2HB ALA 42 HB3 ALA 42 76.354 3.799 -3.299 351 3HB ALA 42 HB2 ALA 42 77.208 2.845 -2.086 352 H GLU 43 HN GLU 43 75.933 1.574 -6.078 353 HA GLU 43 HA GLU 43 73.804 3.335 -6.663 354 1HB GLU 43 HB2 GLU 43 75.148 2.233 -8.375 355 2HB GLU 43 HB1 GLU 43 74.546 0.655 -7.867 356 1HG GLU 43 HG2 GLU 43 72.706 0.868 -9.134 357 2HG GLU 43 HG1 GLU 43 72.337 2.437 -8.422 358 H ALA 44 HN ALA 44 73.634 -0.175 -6.201 359 HA ALA 44 HA ALA 44 70.913 -0.482 -6.478 360 1HB ALA 44 HB3 ALA 44 72.955 -2.117 -6.016 361 2HB ALA 44 HB2 ALA 44 72.376 -2.014 -4.353 362 3HB ALA 44 HB1 ALA 44 71.312 -2.622 -5.621 363 H LYS 45 HN LYS 45 72.592 -0.156 -3.319 364 HA LYS 45 HA LYS 45 70.408 0.037 -1.620 365 1HB LYS 45 HB2 LYS 45 72.669 0.182 -0.798 366 2HB LYS 45 HB1 LYS 45 72.969 1.656 -1.727 367 1HG LYS 45 HG2 LYS 45 71.244 2.835 -0.395 368 2HG LYS 45 HG1 LYS 45 70.989 1.371 0.555 369 1HD LYS 45 HD2 LYS 45 73.798 2.318 0.325 370 2HD LYS 45 HD1 LYS 45 72.716 3.311 1.303 371 1HE LYS 45 HE2 LYS 45 72.066 1.283 2.605 372 2HE LYS 45 HE1 LYS 45 73.238 0.337 1.665 373 1HZ LYS 45 HZ1 LYS 45 74.265 2.831 2.700 374 2HZ LYS 45 HZ3 LYS 45 73.844 1.712 3.904 375 3HZ LYS 45 HZ2 LYS 45 74.966 1.283 2.703 376 H PHE 46 HN PHE 46 71.515 2.422 -3.976 377 HA PHE 46 HA PHE 46 69.870 4.605 -3.051 378 1HB PHE 46 HB2 PHE 46 71.759 4.022 -5.110 379 2HB PHE 46 HB1 PHE 46 70.317 4.671 -5.889 380 HD1 PHE 46 HD2 PHE 46 69.339 6.400 -3.603 381 HD2 PHE 46 HD1 PHE 46 73.240 5.888 -5.325 382 HE1 PHE 46 HE2 PHE 46 69.965 8.683 -2.863 383 HE2 PHE 46 HE1 PHE 46 73.866 8.170 -4.587 384 HZ PHE 46 HZ PHE 46 72.229 9.568 -3.355 385 H LYS 47 HN LYS 47 69.394 2.197 -5.685 386 HA LYS 47 HA LYS 47 66.590 3.127 -5.917 387 1HB LYS 47 HB2 LYS 47 66.563 1.290 -7.732 388 2HB LYS 47 HB1 LYS 47 67.605 2.676 -8.018 389 1HG LYS 47 HG2 LYS 47 68.858 0.720 -8.590 390 2HG LYS 47 HG1 LYS 47 69.520 1.306 -7.077 391 1HD LYS 47 HD2 LYS 47 69.103 -0.692 -6.138 392 2HD LYS 47 HD1 LYS 47 67.384 -0.459 -6.441 393 1HE LYS 47 HE2 LYS 47 68.021 -2.513 -7.551 394 2HE LYS 47 HE1 LYS 47 67.795 -1.290 -8.816 395 1HZ LYS 47 HZ3 LYS 47 70.211 -0.765 -8.538 396 2HZ LYS 47 HZ2 LYS 47 70.347 -2.162 -7.579 397 3HZ LYS 47 HZ1 LYS 47 69.892 -2.290 -9.211 398 H GLU 48 HN GLU 48 68.425 0.531 -4.506 399 HA GLU 48 HA GLU 48 66.444 -1.454 -4.101 400 1HB GLU 48 HB2 GLU 48 68.789 -0.363 -2.535 401 2HB GLU 48 HB1 GLU 48 67.811 -1.668 -1.872 402 1HG GLU 48 HG2 GLU 48 69.334 -1.678 -4.486 403 2HG GLU 48 HG1 GLU 48 69.677 -2.653 -3.056 404 H ILE 49 HN ILE 49 67.143 1.589 -2.605 405 HA ILE 49 HA ILE 49 65.112 1.434 -0.499 406 HB ILE 49 HB ILE 49 67.021 3.443 -1.651 407 1HG1 ILE 49 HG12 ILE 49 66.844 2.386 1.154 408 2HG1 ILE 49 HG11 ILE 49 67.652 1.477 -0.122 409 1HG2 ILE 49 HG21 ILE 49 64.913 3.866 0.463 410 2HG2 ILE 49 HG23 ILE 49 66.349 4.883 0.344 411 3HG2 ILE 49 HG22 ILE 49 65.197 4.821 -0.991 412 1HD1 ILE 49 HD12 ILE 49 68.766 3.922 -0.500 413 2HD1 ILE 49 HD11 ILE 49 68.496 3.969 1.243 414 3HD1 ILE 49 HD13 ILE 49 69.474 2.683 0.536 415 H LYS 50 HN LYS 50 65.615 3.306 -3.468 416 HA LYS 50 HA LYS 50 63.065 4.664 -3.396 417 1HB LYS 50 HB2 LYS 50 65.091 5.362 -4.673 418 2HB LYS 50 HB1 LYS 50 64.880 3.967 -5.735 419 1HG LYS 50 HG2 LYS 50 62.414 4.991 -5.942 420 2HG LYS 50 HG1 LYS 50 63.280 6.479 -5.562 421 1HD LYS 50 HD2 LYS 50 64.771 4.951 -7.506 422 2HD LYS 50 HD1 LYS 50 63.118 5.195 -8.073 423 1HE LYS 50 HE2 LYS 50 63.515 7.681 -7.263 424 2HE LYS 50 HE1 LYS 50 65.225 7.247 -7.466 425 1HZ LYS 50 HZ1 LYS 50 64.676 6.382 -9.679 426 2HZ LYS 50 HZ3 LYS 50 63.075 6.911 -9.492 427 3HZ LYS 50 HZ2 LYS 50 64.340 8.043 -9.554 428 H GLU 51 HN GLU 51 64.184 1.650 -4.863 429 HA GLU 51 HA GLU 51 61.825 1.029 -6.388 430 1HB GLU 51 HB2 GLU 51 64.160 0.093 -6.587 431 2HB GLU 51 HB1 GLU 51 63.869 -0.800 -5.095 432 1HG GLU 51 HG2 GLU 51 63.168 -2.428 -6.546 433 2HG GLU 51 HG1 GLU 51 61.660 -1.513 -6.488 434 H ALA 52 HN ALA 52 62.883 0.263 -3.081 435 HA ALA 52 HA ALA 52 61.048 -1.598 -2.178 436 1HB ALA 52 HB2 ALA 52 62.098 0.974 -0.980 437 2HB ALA 52 HB1 ALA 52 61.147 -0.175 -0.038 438 3HB ALA 52 HB3 ALA 52 62.698 -0.664 -0.721 439 H TYR 53 HN TYR 53 60.440 1.712 -3.139 440 HA TYR 53 HA TYR 53 57.880 2.094 -1.998 441 1HB TYR 53 HB2 TYR 53 59.110 3.046 -4.595 442 2HB TYR 53 HB1 TYR 53 57.673 3.753 -3.855 443 HD1 TYR 53 HD1 TYR 53 59.396 2.745 -1.092 444 HD2 TYR 53 HD2 TYR 53 59.747 5.624 -4.260 445 HE1 TYR 53 HE1 TYR 53 60.826 4.142 0.345 446 HE2 TYR 53 HE2 TYR 53 61.181 7.027 -2.814 447 HH TYR 53 HH TYR 53 62.114 7.265 -0.817 448 H GLU 54 HN GLU 54 58.819 0.717 -5.140 449 HA GLU 54 HA GLU 54 56.293 0.209 -6.261 450 1HB GLU 54 HB2 GLU 54 58.486 -1.871 -6.245 451 2HB GLU 54 HB1 GLU 54 57.412 -1.423 -7.570 452 1HG GLU 54 HG2 GLU 54 58.706 0.948 -6.992 453 2HG GLU 54 HG1 GLU 54 59.970 -0.261 -6.773 454 H VAL 55 HN VAL 55 57.893 -1.205 -3.529 455 HA VAL 55 HA VAL 55 55.904 -3.360 -3.339 456 HB VAL 55 HB VAL 55 58.629 -3.005 -2.731 457 1HG1 VAL 55 HG12 VAL 55 56.939 -3.376 -0.245 458 2HG1 VAL 55 HG11 VAL 55 58.666 -3.731 -0.328 459 3HG1 VAL 55 HG13 VAL 55 58.092 -2.078 -0.556 460 1HG2 VAL 55 HG21 VAL 55 56.701 -5.071 -2.997 461 2HG2 VAL 55 HG23 VAL 55 58.459 -5.218 -3.032 462 3HG2 VAL 55 HG22 VAL 55 57.591 -5.375 -1.504 463 H LEU 56 HN LEU 56 57.118 -0.645 -1.311 464 HA LEU 56 HA LEU 56 54.859 -1.089 0.527 465 1HB LEU 56 HB2 LEU 56 56.409 -0.354 1.976 466 2HB LEU 56 HB1 LEU 56 57.516 -0.106 0.632 467 HG LEU 56 HG LEU 56 57.296 1.936 1.942 468 1HD1 LEU 56 HD12 LEU 56 56.661 1.647 -0.839 469 2HD1 LEU 56 HD11 LEU 56 55.858 3.070 -0.183 470 3HD1 LEU 56 HD13 LEU 56 57.608 2.903 -0.057 471 1HD2 LEU 56 HD21 LEU 56 54.549 1.135 2.024 472 2HD2 LEU 56 HD23 LEU 56 55.321 2.471 2.879 473 3HD2 LEU 56 HD22 LEU 56 54.634 2.731 1.276 474 H THR 57 HN THR 57 55.505 1.082 -2.181 475 HA THR 57 HA THR 57 53.408 2.986 -1.293 476 HB THR 57 HB THR 57 53.951 4.118 -3.446 477 HG1 THR 57 HG1 THR 57 56.068 2.903 -4.256 478 1HG2 THR 57 HG21 THR 57 55.366 4.400 -1.318 479 2HG2 THR 57 HG23 THR 57 56.550 3.366 -2.114 480 3HG2 THR 57 HG22 THR 57 56.098 4.903 -2.839 481 H ASP 58 HN ASP 58 52.584 0.205 -1.748 482 HA ASP 58 HA ASP 58 50.443 0.731 -3.726 483 1HB ASP 58 HB2 ASP 58 52.830 -0.773 -4.252 484 2HB ASP 58 HB1 ASP 58 51.458 -1.882 -4.236 485 H SER 59 HN SER 59 48.676 0.265 -2.665 486 HA SER 59 HA SER 59 48.346 -0.961 -0.278 487 1HB SER 59 HB2 SER 59 46.040 -1.629 -1.260 488 2HB SER 59 HB1 SER 59 46.491 0.072 -1.312 489 HG SER 59 HG SER 59 45.969 -0.287 -3.360 490 H GLN 60 HN GLN 60 48.334 -2.703 -3.404 491 HA GLN 60 HA GLN 60 47.906 -5.321 -2.320 492 1HB GLN 60 HB2 GLN 60 47.870 -4.323 -4.753 493 2HB GLN 60 HB1 GLN 60 49.581 -4.753 -4.760 494 1HG GLN 60 HG2 GLN 60 48.338 -7.012 -3.706 495 2HG GLN 60 HG1 GLN 60 47.240 -6.483 -4.983 496 1HE2 GLN 60 HE22 GLN 60 49.862 -6.789 -7.528 497 2HE2 GLN 60 HE21 GLN 60 48.689 -5.662 -7.043 498 H LYS 61 HN LYS 61 50.939 -3.737 -3.345 499 HA LYS 61 HA LYS 61 52.749 -5.756 -2.445 500 1HB LYS 61 HB2 LYS 61 53.076 -2.766 -2.674 501 2HB LYS 61 HB1 LYS 61 54.366 -3.964 -2.721 502 1HG LYS 61 HG2 LYS 61 52.193 -3.478 -4.751 503 2HG LYS 61 HG1 LYS 61 53.937 -3.428 -4.989 504 1HD LYS 61 HD2 LYS 61 53.855 -5.937 -4.247 505 2HD LYS 61 HD1 LYS 61 52.146 -5.823 -4.670 506 1HE LYS 61 HE2 LYS 61 52.778 -6.223 -6.816 507 2HE LYS 61 HE1 LYS 61 53.491 -4.596 -6.813 508 1HZ LYS 61 HZ1 LYS 61 55.409 -5.739 -5.566 509 2HZ LYS 61 HZ3 LYS 61 54.783 -7.180 -6.206 510 3HZ LYS 61 HZ2 LYS 61 55.307 -5.945 -7.250 511 H ARG 62 HN ARG 62 51.927 -2.663 -0.848 512 HA ARG 62 HA ARG 62 53.380 -3.307 1.512 513 1HB ARG 62 HB2 ARG 62 52.287 -1.333 2.391 514 2HB ARG 62 HB1 ARG 62 52.537 -1.051 0.666 515 1HG ARG 62 HG2 ARG 62 50.238 -1.768 0.197 516 2HG ARG 62 HG1 ARG 62 49.980 -2.101 1.905 517 1HD ARG 62 HD2 ARG 62 50.987 0.627 1.320 518 2HD ARG 62 HD1 ARG 62 49.342 0.288 0.747 519 HE ARG 62 HE ARG 62 50.046 -0.497 3.527 520 1HH1 ARG 62 HH11 ARG 62 47.273 -0.333 2.142 521 2HH1 ARG 62 HH12 ARG 62 46.623 1.066 2.928 522 1HH2 ARG 62 HH21 ARG 62 49.686 2.111 4.178 523 2HH2 ARG 62 HH22 ARG 62 47.991 2.454 4.079 524 H ALA 63 HN ALA 63 50.233 -4.279 0.411 525 HA ALA 63 HA ALA 63 49.358 -5.109 3.119 526 1HB ALA 63 HB3 ALA 63 47.780 -4.181 1.447 527 2HB ALA 63 HB2 ALA 63 48.180 -5.496 0.344 528 3HB ALA 63 HB1 ALA 63 47.346 -5.841 1.859 529 H ALA 64 HN ALA 64 50.932 -6.346 0.305 530 HA ALA 64 HA ALA 64 50.571 -9.185 1.060 531 1HB ALA 64 HB3 ALA 64 52.082 -7.755 -1.151 532 2HB ALA 64 HB2 ALA 64 51.824 -9.498 -1.066 533 3HB ALA 64 HB1 ALA 64 50.450 -8.412 -1.279 534 H TYR 65 HN TYR 65 53.278 -6.884 0.602 535 HA TYR 65 HA TYR 65 55.308 -8.658 1.586 536 1HB TYR 65 HB2 TYR 65 54.987 -5.701 1.112 537 2HB TYR 65 HB1 TYR 65 56.480 -6.339 1.817 538 HD1 TYR 65 HD1 TYR 65 54.177 -6.681 -1.109 539 HD2 TYR 65 HD2 TYR 65 58.103 -7.401 0.474 540 HE1 TYR 65 HE1 TYR 65 54.947 -7.402 -3.351 541 HE2 TYR 65 HE2 TYR 65 58.876 -8.120 -1.772 542 HH TYR 65 HH TYR 65 58.185 -7.717 -4.167 543 H ASP 66 HN ASP 66 52.895 -6.797 3.255 544 HA ASP 66 HA ASP 66 54.308 -6.268 5.695 545 1HB ASP 66 HB2 ASP 66 52.242 -5.518 6.381 546 2HB ASP 66 HB1 ASP 66 51.881 -5.661 4.666 547 H GLN 67 HN GLN 67 52.984 -9.198 4.337 548 HA GLN 67 HA GLN 67 53.526 -10.631 6.919 549 1HB GLN 67 HB2 GLN 67 51.548 -11.014 4.663 550 2HB GLN 67 HB1 GLN 67 51.928 -12.334 5.768 551 1HG GLN 67 HG2 GLN 67 50.921 -11.304 7.570 552 2HG GLN 67 HG1 GLN 67 51.263 -9.682 6.966 553 1HE2 GLN 67 HE22 GLN 67 47.960 -9.416 5.791 554 2HE2 GLN 67 HE21 GLN 67 49.264 -8.694 6.603 555 H TYR 68 HN TYR 68 55.104 -9.903 4.252 556 HA TYR 68 HA TYR 68 56.773 -10.967 2.953 557 1HB TYR 68 HB2 TYR 68 56.477 -12.739 5.391 558 2HB TYR 68 HB1 TYR 68 57.759 -12.972 4.198 559 HD1 TYR 68 HD1 TYR 68 58.236 -10.032 3.531 560 HD2 TYR 68 HD2 TYR 68 57.776 -12.085 7.278 561 HE1 TYR 68 HE1 TYR 68 59.574 -8.277 4.658 562 HE2 TYR 68 HE2 TYR 68 59.117 -10.329 8.403 563 HH TYR 68 HH TYR 68 60.534 -7.632 6.555 564 H GLY 69 HN GLY 69 53.786 -11.786 2.807 565 1HA GLY 69 HA2 GLY 69 52.819 -13.130 1.048 566 2HA GLY 69 HA1 GLY 69 54.252 -14.166 1.094 567 H HIS 70 HN HIS 70 51.673 -15.292 1.240 568 HA HIS 70 HA HIS 70 50.820 -15.709 3.961 569 1HB HIS 70 HB2 HIS 70 49.485 -17.523 2.901 570 2HB HIS 70 HB1 HIS 70 49.397 -16.022 1.972 571 HD1 HIS 70 HD1 HIS 70 49.420 -16.649 -0.440 572 HD2 HIS 70 HD2 HIS 70 52.132 -18.926 1.760 573 HE1 HIS 70 HE1 HIS 70 50.654 -18.102 -2.108 574 H ALA 71 HN ALA 71 53.619 -16.700 2.412 575 HA ALA 71 HA ALA 71 53.883 -19.405 3.416 576 1HB ALA 71 HB3 ALA 71 55.452 -17.338 2.001 577 2HB ALA 71 HB2 ALA 71 56.418 -18.449 2.974 578 3HB ALA 71 HB1 ALA 71 55.363 -19.075 1.706 579 H ALA 72 HN ALA 72 54.760 -16.176 4.614 580 HA ALA 72 HA ALA 72 56.487 -16.862 6.739 581 1HB ALA 72 HB1 ALA 72 55.834 -14.577 5.917 582 2HB ALA 72 HB3 ALA 72 54.277 -14.780 6.722 583 3HB ALA 72 HB2 ALA 72 55.760 -14.726 7.673 584 H PHE 73 HN PHE 73 53.071 -17.409 6.352 585 HA PHE 73 HA PHE 73 52.676 -18.029 9.229 586 1HB PHE 73 HB2 PHE 73 51.118 -17.161 6.988 587 2HB PHE 73 HB1 PHE 73 50.451 -18.697 7.552 588 HD1 PHE 73 HD2 PHE 73 51.099 -18.577 10.444 589 HD2 PHE 73 HD1 PHE 73 49.596 -15.548 7.799 590 HE1 PHE 73 HE2 PHE 73 50.047 -17.421 12.369 591 HE2 PHE 73 HE1 PHE 73 48.542 -14.389 9.722 592 HZ PHE 73 HZ PHE 73 48.767 -15.327 12.007 593 H GLU 74 HN GLU 74 53.479 -19.596 6.270 594 HA GLU 74 HA GLU 74 53.823 -21.874 5.750 595 1HB GLU 74 HB2 GLU 74 53.612 -22.152 8.764 596 2HB GLU 74 HB1 GLU 74 54.471 -23.227 7.660 597 1HG GLU 74 HG2 GLU 74 55.159 -20.295 7.843 598 2HG GLU 74 HG1 GLU 74 55.877 -21.477 8.939 599 H GLN 75 HN GLN 75 51.895 -22.453 4.709 600 HA GLN 75 HA GLN 75 49.300 -22.639 5.654 601 1HB GLN 75 HB2 GLN 75 50.984 -24.040 3.649 602 2HB GLN 75 HB1 GLN 75 49.462 -24.834 4.059 603 1HG GLN 75 HG2 GLN 75 48.677 -22.212 3.807 604 2HG GLN 75 HG1 GLN 75 49.932 -22.335 2.573 605 1HE2 GLN 75 HE22 GLN 75 48.103 -25.097 0.916 606 2HE2 GLN 75 HE21 GLN 75 49.666 -24.844 1.529 607 H GLY 76 HN GLY 76 51.786 -25.204 5.905 608 1HA GLY 76 HA2 GLY 76 51.386 -26.117 8.443 609 2HA GLY 76 HA1 GLY 76 50.028 -26.846 7.585 610 H GLY 77 HN GLY 77 53.553 -26.414 7.104 611 1HA GLY 77 HA2 GLY 77 54.934 -28.511 7.095 612 2HA GLY 77 HA1 GLY 77 53.625 -29.262 6.180 No H/Q in entry = 612 Start of MODEL 8 1 1H ALA 1 HT3 ALA 1 69.188 -11.356 11.101 2 2H ALA 1 HT2 ALA 1 70.386 -12.308 10.360 3 3H ALA 1 HT1 ALA 1 70.681 -10.666 10.686 4 HA ALA 1 HA ALA 1 70.180 -10.526 8.463 5 1HB ALA 1 HB2 ALA 1 68.578 -12.967 9.185 6 2HB ALA 1 HB1 ALA 1 68.274 -12.144 7.655 7 3HB ALA 1 HB3 ALA 1 69.873 -12.804 8.000 8 H LYS 2 HN LYS 2 69.073 -8.647 8.138 9 HA LYS 2 HA LYS 2 66.191 -8.496 8.804 10 1HB LYS 2 HB2 LYS 2 68.424 -6.993 10.147 11 2HB LYS 2 HB1 LYS 2 66.846 -6.224 9.975 12 1HG LYS 2 HG2 LYS 2 66.285 -8.826 10.866 13 2HG LYS 2 HG1 LYS 2 67.674 -8.306 11.823 14 1HD LYS 2 HD2 LYS 2 65.143 -6.676 11.451 15 2HD LYS 2 HD1 LYS 2 65.489 -7.674 12.864 16 1HE LYS 2 HE2 LYS 2 67.133 -6.234 13.649 17 2HE LYS 2 HE1 LYS 2 67.543 -5.654 12.022 18 1HZ LYS 2 HZ3 LYS 2 64.840 -5.196 13.086 19 2HZ LYS 2 HZ2 LYS 2 66.104 -4.174 13.579 20 3HZ LYS 2 HZ1 LYS 2 65.704 -4.301 11.934 21 H GLN 3 HN GLN 3 66.840 -8.530 6.271 22 HA GLN 3 HA GLN 3 66.905 -5.659 5.400 23 1HB GLN 3 HB2 GLN 3 68.217 -8.044 4.054 24 2HB GLN 3 HB1 GLN 3 68.358 -6.355 3.563 25 1HG GLN 3 HG2 GLN 3 69.297 -5.915 5.911 26 2HG GLN 3 HG1 GLN 3 69.452 -7.666 6.057 27 1HE2 GLN 3 HE22 GLN 3 71.875 -7.783 3.286 28 2HE2 GLN 3 HE21 GLN 3 70.449 -8.581 3.746 29 H ASP 4 HN ASP 4 64.922 -5.264 4.479 30 HA ASP 4 HA ASP 4 63.944 -6.842 2.278 31 1HB ASP 4 HB2 ASP 4 62.827 -8.433 3.449 32 2HB ASP 4 HB1 ASP 4 63.371 -7.689 4.951 33 H TYR 5 HN TYR 5 63.829 -4.827 1.297 34 HA TYR 5 HA TYR 5 63.171 -2.532 1.087 35 1HB TYR 5 HB2 TYR 5 60.455 -2.988 0.814 36 2HB TYR 5 HB1 TYR 5 61.669 -3.218 -0.440 37 HD1 TYR 5 HD2 TYR 5 62.895 -5.493 -0.504 38 HD2 TYR 5 HD1 TYR 5 59.199 -4.828 1.574 39 HE1 TYR 5 HE2 TYR 5 62.446 -7.932 -0.531 40 HE2 TYR 5 HE1 TYR 5 58.746 -7.269 1.550 41 HH TYR 5 HH TYR 5 61.058 -9.545 0.052 42 H TYR 6 HN TYR 6 60.286 -3.706 2.863 43 HA TYR 6 HA TYR 6 59.790 -1.372 4.326 44 1HB TYR 6 HB2 TYR 6 59.415 -4.297 4.818 45 2HB TYR 6 HB1 TYR 6 59.007 -3.147 6.095 46 HD1 TYR 6 HD1 TYR 6 57.530 -1.134 5.443 47 HD2 TYR 6 HD2 TYR 6 57.877 -4.694 3.066 48 HE1 TYR 6 HE1 TYR 6 55.391 -0.595 4.318 49 HE2 TYR 6 HE2 TYR 6 55.732 -4.152 1.938 50 HH TYR 6 HH TYR 6 53.871 -1.248 2.883 51 H GLU 7 HN GLU 7 62.264 -3.831 4.766 52 HA GLU 7 HA GLU 7 63.233 -2.605 7.292 53 1HB GLU 7 HB2 GLU 7 63.389 -5.135 5.921 54 2HB GLU 7 HB1 GLU 7 65.026 -4.530 6.177 55 1HG GLU 7 HG2 GLU 7 62.934 -4.642 8.364 56 2HG GLU 7 HG1 GLU 7 64.119 -5.917 8.087 57 H ILE 8 HN ILE 8 63.945 -2.812 3.844 58 HA ILE 8 HA ILE 8 66.525 -1.814 3.626 59 HB ILE 8 HB ILE 8 64.002 -1.405 2.063 60 1HG1 ILE 8 HG12 ILE 8 66.630 -2.841 1.572 61 2HG1 ILE 8 HG11 ILE 8 65.096 -3.605 1.970 62 1HG2 ILE 8 HG23 ILE 8 66.427 0.186 1.906 63 2HG2 ILE 8 HG22 ILE 8 66.083 -0.651 0.393 64 3HG2 ILE 8 HG21 ILE 8 64.875 0.421 1.101 65 1HD1 ILE 8 HD12 ILE 8 64.845 -1.825 -0.324 66 2HD1 ILE 8 HD11 ILE 8 66.059 -3.076 -0.597 67 3HD1 ILE 8 HD13 ILE 8 64.406 -3.527 -0.180 68 H LEU 9 HN LEU 9 63.511 -0.003 3.987 69 HA LEU 9 HA LEU 9 64.900 2.585 4.351 70 1HB LEU 9 HB2 LEU 9 61.989 1.751 4.535 71 2HB LEU 9 HB1 LEU 9 62.591 3.398 4.327 72 HG LEU 9 HG LEU 9 63.718 1.591 2.361 73 1HD1 LEU 9 HD12 LEU 9 61.113 0.915 3.026 74 2HD1 LEU 9 HD11 LEU 9 60.910 1.997 1.648 75 3HD1 LEU 9 HD13 LEU 9 61.909 0.551 1.497 76 1HD2 LEU 9 HD23 LEU 9 63.646 4.100 2.301 77 2HD2 LEU 9 HD22 LEU 9 62.993 3.352 0.844 78 3HD2 LEU 9 HD21 LEU 9 61.901 4.002 2.068 79 H GLY 10 HN GLY 10 64.800 0.075 6.294 80 1HA GLY 10 HA2 GLY 10 64.946 -0.198 8.610 81 2HA GLY 10 HA1 GLY 10 65.043 1.559 8.725 82 H VAL 11 HN VAL 11 62.244 0.331 7.075 83 HA VAL 11 HA VAL 11 60.642 1.129 9.475 84 HB VAL 11 HB VAL 11 59.038 0.586 7.174 85 1HG1 VAL 11 HG13 VAL 11 59.846 3.094 8.646 86 2HG1 VAL 11 HG12 VAL 11 58.586 3.048 7.410 87 3HG1 VAL 11 HG11 VAL 11 58.397 2.122 8.900 88 1HG2 VAL 11 HG23 VAL 11 61.538 2.142 6.633 89 2HG2 VAL 11 HG22 VAL 11 60.724 0.948 5.621 90 3HG2 VAL 11 HG21 VAL 11 60.033 2.559 5.817 91 H SER 12 HN SER 12 58.401 -0.104 9.406 92 HA SER 12 HA SER 12 59.022 -2.948 9.797 93 1HB SER 12 HB2 SER 12 56.361 -1.590 10.125 94 2HB SER 12 HB1 SER 12 57.014 -2.949 11.035 95 HG SER 12 HG SER 12 57.072 -0.514 11.790 96 H LYS 13 HN LYS 13 57.929 -4.655 8.710 97 HA LYS 13 HA LYS 13 57.491 -4.422 5.958 98 1HB LYS 13 HB2 LYS 13 56.345 -6.560 6.200 99 2HB LYS 13 HB1 LYS 13 57.794 -6.496 7.202 100 1HG LYS 13 HG2 LYS 13 55.459 -5.459 8.611 101 2HG LYS 13 HG1 LYS 13 55.220 -7.126 8.087 102 1HD LYS 13 HD2 LYS 13 57.886 -6.882 9.096 103 2HD LYS 13 HD1 LYS 13 56.779 -6.189 10.282 104 1HE LYS 13 HE2 LYS 13 55.563 -8.211 10.507 105 2HE LYS 13 HE1 LYS 13 56.223 -8.872 8.997 106 1HZ LYS 13 HZ3 LYS 13 58.478 -8.516 10.143 107 2HZ LYS 13 HZ2 LYS 13 57.582 -8.463 11.585 108 3HZ LYS 13 HZ1 LYS 13 57.547 -9.854 10.611 109 H THR 14 HN THR 14 55.490 -3.476 8.591 110 HA THR 14 HA THR 14 53.180 -3.002 6.757 111 HB THR 14 HB THR 14 51.832 -3.215 8.698 112 HG1 THR 14 HG1 THR 14 54.169 -2.981 10.277 113 1HG2 THR 14 HG21 THR 14 53.664 -5.203 8.076 114 2HG2 THR 14 HG23 THR 14 53.834 -5.034 9.824 115 3HG2 THR 14 HG22 THR 14 52.257 -5.397 9.122 116 H ALA 15 HN ALA 15 55.817 -1.401 7.438 117 HA ALA 15 HA ALA 15 55.342 0.973 8.818 118 1HB ALA 15 HB1 ALA 15 57.426 0.134 7.854 119 2HB ALA 15 HB3 ALA 15 56.815 0.470 6.237 120 3HB ALA 15 HB2 ALA 15 57.117 1.793 7.357 121 H GLU 16 HN GLU 16 55.930 2.594 6.261 122 HA GLU 16 HA GLU 16 53.461 2.800 4.777 123 1HB GLU 16 HB2 GLU 16 53.788 4.130 7.361 124 2HB GLU 16 HB1 GLU 16 53.434 5.280 6.067 125 1HG GLU 16 HG2 GLU 16 51.810 2.845 5.911 126 2HG GLU 16 HG1 GLU 16 51.554 3.751 7.403 127 H GLU 17 HN GLU 17 53.995 3.826 2.896 128 HA GLU 17 HA GLU 17 56.462 4.515 1.977 129 1HB GLU 17 HB2 GLU 17 55.227 6.121 0.468 130 2HB GLU 17 HB1 GLU 17 54.484 4.527 0.595 131 1HG GLU 17 HG2 GLU 17 52.584 5.648 1.108 132 2HG GLU 17 HG1 GLU 17 53.320 5.889 2.692 133 H ARG 18 HN ARG 18 54.604 6.484 4.245 134 HA ARG 18 HA ARG 18 56.147 8.921 3.859 135 1HB ARG 18 HB2 ARG 18 54.958 9.498 6.039 136 2HB ARG 18 HB1 ARG 18 53.900 9.007 4.714 137 1HG ARG 18 HG2 ARG 18 53.178 7.198 5.852 138 2HG ARG 18 HG1 ARG 18 54.827 6.709 6.241 139 1HD ARG 18 HD2 ARG 18 54.829 7.848 8.269 140 2HD ARG 18 HD1 ARG 18 53.660 9.056 7.707 141 HE ARG 18 HE ARG 18 52.196 6.735 7.618 142 1HH1 ARG 18 HH21 ARG 18 54.602 6.993 9.923 143 2HH1 ARG 18 HH22 ARG 18 53.553 6.898 11.297 144 1HH2 ARG 18 HH11 ARG 18 50.643 7.146 9.428 145 2HH2 ARG 18 HH12 ARG 18 51.314 6.987 11.017 146 H GLU 19 HN GLU 19 56.572 6.074 5.840 147 HA GLU 19 HA GLU 19 58.799 7.354 7.331 148 1HB GLU 19 HB2 GLU 19 58.492 4.726 8.235 149 2HB GLU 19 HB1 GLU 19 57.850 6.158 9.024 150 1HG GLU 19 HG2 GLU 19 55.778 5.906 7.609 151 2HG GLU 19 HG1 GLU 19 56.421 4.366 7.042 152 H ILE 20 HN ILE 20 58.052 5.445 4.650 153 HA ILE 20 HA ILE 20 60.578 3.932 4.593 154 HB ILE 20 HB ILE 20 57.951 3.943 3.356 155 1HG1 ILE 20 HG12 ILE 20 59.310 1.671 2.538 156 2HG1 ILE 20 HG11 ILE 20 60.131 2.127 4.027 157 1HG2 ILE 20 HG21 ILE 20 60.172 4.459 1.507 158 2HG2 ILE 20 HG23 ILE 20 59.288 2.988 1.131 159 3HG2 ILE 20 HG22 ILE 20 58.439 4.529 1.227 160 1HD1 ILE 20 HD11 ILE 20 57.336 2.476 4.449 161 2HD1 ILE 20 HD13 ILE 20 57.570 0.882 3.731 162 3HD1 ILE 20 HD12 ILE 20 58.412 1.311 5.221 163 H ARG 21 HN ARG 21 58.954 6.436 2.599 164 HA ARG 21 HA ARG 21 61.128 7.257 1.005 165 1HB ARG 21 HB2 ARG 21 59.933 9.495 1.107 166 2HB ARG 21 HB1 ARG 21 58.849 8.145 0.775 167 1HG ARG 21 HG2 ARG 21 57.669 9.197 2.466 168 2HG ARG 21 HG1 ARG 21 58.655 8.096 3.425 169 1HD ARG 21 HD2 ARG 21 59.235 10.007 4.553 170 2HD ARG 21 HD1 ARG 21 60.340 10.250 3.188 171 HE ARG 21 HE ARG 21 57.955 11.262 2.242 172 1HH1 ARG 21 HH21 ARG 21 57.883 11.611 5.411 173 2HH1 ARG 21 HH22 ARG 21 58.251 13.302 5.494 174 1HH2 ARG 21 HH11 ARG 21 59.283 13.509 2.191 175 2HH2 ARG 21 HH12 ARG 21 59.043 14.378 3.670 176 H LYS 22 HN LYS 22 60.258 7.921 4.311 177 HA LYS 22 HA LYS 22 62.056 9.928 5.085 178 1HB LYS 22 HB2 LYS 22 60.301 9.235 6.532 179 2HB LYS 22 HB1 LYS 22 60.755 7.539 6.401 180 1HG LYS 22 HG2 LYS 22 61.412 8.705 8.585 181 2HG LYS 22 HG1 LYS 22 62.702 7.842 7.750 182 1HD LYS 22 HD2 LYS 22 63.618 9.968 8.371 183 2HD LYS 22 HD1 LYS 22 63.303 10.063 6.640 184 1HE LYS 22 HE2 LYS 22 61.557 11.556 6.897 185 2HE LYS 22 HE1 LYS 22 61.091 10.895 8.477 186 1HZ LYS 22 HZ1 LYS 22 63.752 12.071 8.246 187 2HZ LYS 22 HZ3 LYS 22 62.442 13.147 8.258 188 3HZ LYS 22 HZ2 LYS 22 62.674 12.078 9.559 189 H ALA 23 HN ALA 23 62.546 6.366 5.268 190 HA ALA 23 HA ALA 23 65.189 6.369 6.286 191 1HB ALA 23 HB3 ALA 23 63.346 4.525 5.586 192 2HB ALA 23 HB2 ALA 23 64.425 4.386 4.198 193 3HB ALA 23 HB1 ALA 23 65.043 4.114 5.828 194 H TYR 24 HN TYR 24 64.069 6.403 2.912 195 HA TYR 24 HA TYR 24 66.717 6.613 1.753 196 1HB TYR 24 HB2 TYR 24 64.601 5.710 0.682 197 2HB TYR 24 HB1 TYR 24 63.987 7.358 0.625 198 HD1 TYR 24 HD1 TYR 24 67.421 5.985 0.004 199 HD2 TYR 24 HD2 TYR 24 64.019 8.058 -1.602 200 HE1 TYR 24 HE1 TYR 24 68.661 6.388 -2.105 201 HE2 TYR 24 HE2 TYR 24 65.258 8.461 -3.711 202 HH TYR 24 HH TYR 24 67.952 6.821 -4.599 203 H LYS 25 HN LYS 25 64.613 8.652 3.420 204 HA LYS 25 HA LYS 25 65.512 11.181 2.227 205 1HB LYS 25 HB2 LYS 25 63.359 10.081 3.786 206 2HB LYS 25 HB1 LYS 25 64.035 11.463 4.635 207 1HG LYS 25 HG2 LYS 25 62.479 12.507 3.245 208 2HG LYS 25 HG1 LYS 25 63.939 12.598 2.256 209 1HD LYS 25 HD2 LYS 25 63.264 10.475 1.131 210 2HD LYS 25 HD1 LYS 25 61.766 10.493 2.059 211 1HE LYS 25 HE2 LYS 25 60.941 11.669 0.276 212 2HE LYS 25 HE1 LYS 25 61.802 13.041 1.001 213 1HZ LYS 25 HZ2 LYS 25 63.807 11.811 -0.218 214 2HZ LYS 25 HZ1 LYS 25 62.546 11.385 -1.276 215 3HZ LYS 25 HZ3 LYS 25 62.880 13.019 -0.971 216 H ARG 26 HN ARG 26 65.775 9.357 5.270 217 HA ARG 26 HA ARG 26 67.536 11.335 6.513 218 1HB ARG 26 HB2 ARG 26 66.081 8.862 7.188 219 2HB ARG 26 HB1 ARG 26 67.587 9.097 8.077 220 1HG ARG 26 HG2 ARG 26 66.762 11.509 8.474 221 2HG ARG 26 HG1 ARG 26 65.182 10.912 7.964 222 1HD ARG 26 HD2 ARG 26 64.896 10.285 10.130 223 2HD ARG 26 HD1 ARG 26 66.059 8.988 9.787 224 HE ARG 26 HE ARG 26 67.812 10.882 10.321 225 1HH1 ARG 26 HH11 ARG 26 65.502 12.660 11.270 226 2HH1 ARG 26 HH12 ARG 26 65.589 12.420 12.983 227 1HH2 ARG 26 HH21 ARG 26 67.596 9.601 12.753 228 2HH2 ARG 26 HH22 ARG 26 66.777 10.691 13.822 229 H LEU 27 HN LEU 27 67.889 8.079 5.088 230 HA LEU 27 HA LEU 27 70.722 7.880 5.757 231 1HB LEU 27 HB2 LEU 27 70.516 5.746 4.770 232 2HB LEU 27 HB1 LEU 27 68.891 6.059 5.381 233 HG LEU 27 HG LEU 27 68.504 7.107 3.006 234 1HD1 LEU 27 HD12 LEU 27 71.157 5.969 2.797 235 2HD1 LEU 27 HD11 LEU 27 70.063 5.185 1.658 236 3HD1 LEU 27 HD13 LEU 27 70.269 6.935 1.619 237 1HD2 LEU 27 HD21 LEU 27 67.547 4.957 4.070 238 2HD2 LEU 27 HD23 LEU 27 67.554 5.041 2.309 239 3HD2 LEU 27 HD22 LEU 27 68.785 4.101 3.150 240 H ALA 28 HN ALA 28 68.794 8.896 2.985 241 HA ALA 28 HA ALA 28 71.107 9.062 1.205 242 1HB ALA 28 HB3 ALA 28 68.586 8.582 0.743 243 2HB ALA 28 HB2 ALA 28 68.406 10.336 0.816 244 3HB ALA 28 HB1 ALA 28 69.459 9.606 -0.396 245 H MET 29 HN MET 29 69.109 11.336 3.100 246 HA MET 29 HA MET 29 70.371 13.732 2.169 247 1HB MET 29 HB2 MET 29 69.481 14.679 4.243 248 2HB MET 29 HB1 MET 29 68.304 13.524 3.620 249 1HG MET 29 HG2 MET 29 68.947 11.862 5.202 250 2HG MET 29 HG1 MET 29 70.413 12.739 5.639 251 1HE MET 29 HE1 MET 29 70.450 15.005 6.257 252 2HE MET 29 HE3 MET 29 68.988 15.976 6.043 253 3HE MET 29 HE2 MET 29 69.563 15.590 7.663 254 H LYS 30 HN LYS 30 71.320 11.144 4.284 255 HA LYS 30 HA LYS 30 73.695 12.562 5.338 256 1HB LYS 30 HB2 LYS 30 72.035 10.308 5.997 257 2HB LYS 30 HB1 LYS 30 73.698 9.742 5.827 258 1HG LYS 30 HG2 LYS 30 73.974 10.482 7.952 259 2HG LYS 30 HG1 LYS 30 74.020 12.094 7.234 260 1HD LYS 30 HD2 LYS 30 71.421 11.990 7.410 261 2HD LYS 30 HD1 LYS 30 71.712 10.688 8.563 262 1HE LYS 30 HE2 LYS 30 73.251 13.246 8.886 263 2HE LYS 30 HE1 LYS 30 71.560 13.186 9.425 264 1HZ LYS 30 HZ1 LYS 30 73.213 10.881 10.073 265 2HZ LYS 30 HZ3 LYS 30 73.572 12.306 10.919 266 3HZ LYS 30 HZ2 LYS 30 72.008 11.647 10.995 267 H TYR 31 HN TYR 31 72.768 10.517 2.704 268 HA TYR 31 HA TYR 31 75.602 9.845 2.067 269 1HB TYR 31 HB2 TYR 31 72.944 8.666 1.657 270 2HB TYR 31 HB1 TYR 31 73.956 8.629 0.208 271 HD1 TYR 31 HD2 TYR 31 74.845 8.436 3.834 272 HD2 TYR 31 HD1 TYR 31 74.825 6.445 0.029 273 HE1 TYR 31 HE2 TYR 31 76.155 6.573 4.804 274 HE2 TYR 31 HE1 TYR 31 76.136 4.580 0.999 275 HH TYR 31 HH TYR 31 77.787 4.354 3.029 276 H HIS 32 HN HIS 32 73.704 12.318 1.615 277 HA HIS 32 HA HIS 32 73.371 13.025 -1.044 278 1HB HIS 32 HB2 HIS 32 73.273 15.202 -0.050 279 2HB HIS 32 HB1 HIS 32 72.797 14.065 1.196 280 HD1 HIS 32 HD1 HIS 32 75.502 12.977 2.137 281 HD2 HIS 32 HD2 HIS 32 74.800 17.024 1.425 282 HE1 HIS 32 HE1 HIS 32 77.228 14.252 3.478 283 HA PRO 33 HA PRO 33 77.196 14.112 -2.878 284 1HB PRO 33 HB2 PRO 33 77.905 16.751 -2.613 285 2HB PRO 33 HB1 PRO 33 76.660 16.168 -3.736 286 1HG PRO 33 HG2 PRO 33 76.355 17.402 -1.050 287 2HG PRO 33 HG1 PRO 33 75.391 17.633 -2.515 288 1HD PRO 33 HD2 PRO 33 74.605 16.117 -0.460 289 2HD PRO 33 HD1 PRO 33 74.121 15.769 -2.130 290 H ASP 34 HN ASP 34 77.573 12.940 -0.533 291 HA ASP 34 HA ASP 34 79.960 14.253 0.720 292 1HB ASP 34 HB2 ASP 34 78.886 13.685 2.657 293 2HB ASP 34 HB1 ASP 34 77.577 12.974 1.721 294 H ARG 35 HN ARG 35 78.529 11.269 -0.509 295 HA ARG 35 HA ARG 35 81.240 10.283 -1.281 296 1HB ARG 35 HB2 ARG 35 80.428 8.025 -0.619 297 2HB ARG 35 HB1 ARG 35 80.405 9.135 0.751 298 1HG ARG 35 HG2 ARG 35 78.293 8.086 0.862 299 2HG ARG 35 HG1 ARG 35 77.948 9.610 0.046 300 1HD ARG 35 HD2 ARG 35 77.073 8.420 -1.659 301 2HD ARG 35 HD1 ARG 35 78.697 7.786 -1.984 302 HE ARG 35 HE ARG 35 76.583 6.298 -0.724 303 1HH1 ARG 35 HH21 ARG 35 78.075 6.173 1.660 304 2HH1 ARG 35 HH22 ARG 35 79.320 5.004 1.371 305 1HH2 ARG 35 HH11 ARG 35 79.013 5.135 -2.080 306 2HH2 ARG 35 HH12 ARG 35 79.851 4.416 -0.745 307 H ASN 36 HN ASN 36 77.754 10.492 -1.863 308 HA ASN 36 HA ASN 36 77.216 8.855 -3.987 309 1HB ASN 36 HB2 ASN 36 76.548 11.686 -3.273 310 2HB ASN 36 HB1 ASN 36 75.984 11.056 -4.820 311 1HD2 ASN 36 HD22 ASN 36 73.406 10.274 -2.215 312 2HD2 ASN 36 HD21 ASN 36 74.100 11.704 -2.805 313 H GLN 37 HN GLN 37 79.352 11.654 -4.023 314 HA GLN 37 HA GLN 37 79.599 12.104 -6.802 315 1HB GLN 37 HB2 GLN 37 81.866 12.102 -4.789 316 2HB GLN 37 HB1 GLN 37 81.678 13.151 -6.194 317 1HG GLN 37 HG2 GLN 37 79.342 13.591 -4.762 318 2HG GLN 37 HG1 GLN 37 80.565 13.435 -3.500 319 1HE2 GLN 37 HE22 GLN 37 80.953 16.943 -4.234 320 2HE2 GLN 37 HE21 GLN 37 80.101 15.868 -3.235 321 H GLY 38 HN GLY 38 80.734 9.487 -4.799 322 1HA GLY 38 HA2 GLY 38 82.000 8.249 -7.212 323 2HA GLY 38 HA1 GLY 38 82.680 8.054 -5.593 324 H ASP 39 HN ASP 39 79.234 8.094 -6.277 325 HA ASP 39 HA ASP 39 78.844 5.577 -4.869 326 1HB ASP 39 HB2 ASP 39 77.340 7.827 -5.859 327 2HB ASP 39 HB1 ASP 39 76.541 6.330 -6.342 328 H LYS 40 HN LYS 40 80.565 4.933 -6.944 329 HA LYS 40 HA LYS 40 79.005 3.890 -9.222 330 1HB LYS 40 HB2 LYS 40 81.690 4.627 -8.573 331 2HB LYS 40 HB1 LYS 40 81.688 2.956 -9.133 332 1HG LYS 40 HG2 LYS 40 79.929 4.488 -10.804 333 2HG LYS 40 HG1 LYS 40 81.483 5.317 -10.709 334 1HD LYS 40 HD2 LYS 40 82.362 2.787 -11.031 335 2HD LYS 40 HD1 LYS 40 80.822 2.665 -11.882 336 1HE LYS 40 HE2 LYS 40 81.446 4.204 -13.516 337 2HE LYS 40 HE1 LYS 40 82.605 5.019 -12.448 338 1HZ LYS 40 HZ1 LYS 40 83.925 2.951 -12.446 339 2HZ LYS 40 HZ3 LYS 40 82.869 2.291 -13.597 340 3HZ LYS 40 HZ2 LYS 40 83.810 3.649 -13.991 341 H GLU 41 HN GLU 41 78.409 2.838 -6.563 342 HA GLU 41 HA GLU 41 78.459 -0.002 -7.116 343 1HB GLU 41 HB2 GLU 41 79.903 -0.234 -4.844 344 2HB GLU 41 HB1 GLU 41 80.669 -0.164 -6.429 345 1HG GLU 41 HG2 GLU 41 81.139 2.181 -6.198 346 2HG GLU 41 HG1 GLU 41 80.121 2.305 -4.763 347 H ALA 42 HN ALA 42 78.288 2.554 -4.663 348 HA ALA 42 HA ALA 42 76.345 1.100 -3.014 349 1HB ALA 42 HB1 ALA 42 78.160 3.198 -2.706 350 2HB ALA 42 HB3 ALA 42 76.591 4.002 -2.669 351 3HB ALA 42 HB2 ALA 42 76.948 2.714 -1.520 352 H GLU 43 HN GLU 43 76.354 3.094 -5.828 353 HA GLU 43 HA GLU 43 74.016 4.591 -5.819 354 1HB GLU 43 HB2 GLU 43 75.646 4.009 -7.724 355 2HB GLU 43 HB1 GLU 43 74.640 2.587 -7.989 356 1HG GLU 43 HG2 GLU 43 73.257 3.857 -9.216 357 2HG GLU 43 HG1 GLU 43 72.852 4.748 -7.748 358 H ALA 44 HN ALA 44 74.252 1.086 -6.363 359 HA ALA 44 HA ALA 44 71.554 0.622 -6.882 360 1HB ALA 44 HB2 ALA 44 73.641 -0.911 -7.002 361 2HB ALA 44 HB1 ALA 44 73.306 -1.270 -5.308 362 3HB ALA 44 HB3 ALA 44 72.115 -1.668 -6.548 363 H LYS 45 HN LYS 45 73.163 0.123 -3.709 364 HA LYS 45 HA LYS 45 70.906 -0.395 -2.155 365 1HB LYS 45 HB2 LYS 45 73.142 -0.414 -1.234 366 2HB LYS 45 HB1 LYS 45 73.359 1.303 -1.600 367 1HG LYS 45 HG2 LYS 45 71.704 1.943 0.021 368 2HG LYS 45 HG1 LYS 45 71.194 0.270 0.249 369 1HD LYS 45 HD2 LYS 45 74.068 0.653 0.688 370 2HD LYS 45 HD1 LYS 45 73.073 1.595 1.799 371 1HE LYS 45 HE2 LYS 45 71.717 -0.657 2.048 372 2HE LYS 45 HE1 LYS 45 73.227 -1.390 1.470 373 1HZ LYS 45 HZ2 LYS 45 74.278 0.272 3.155 374 2HZ LYS 45 HZ1 LYS 45 72.748 0.205 3.892 375 3HZ LYS 45 HZ3 LYS 45 73.659 -1.212 3.704 376 H PHE 46 HN PHE 46 71.963 2.618 -3.603 377 HA PHE 46 HA PHE 46 70.257 4.412 -2.153 378 1HB PHE 46 HB2 PHE 46 72.175 4.449 -4.249 379 2HB PHE 46 HB1 PHE 46 70.726 5.254 -4.859 380 HD1 PHE 46 HD1 PHE 46 72.559 5.027 -1.598 381 HD2 PHE 46 HD2 PHE 46 70.668 7.539 -4.520 382 HE1 PHE 46 HE1 PHE 46 73.076 7.023 -0.213 383 HE2 PHE 46 HE2 PHE 46 71.186 9.539 -3.139 384 HZ PHE 46 HZ PHE 46 72.390 9.278 -0.985 385 H LYS 47 HN LYS 47 69.829 2.875 -5.391 386 HA LYS 47 HA LYS 47 67.023 3.824 -5.377 387 1HB LYS 47 HB2 LYS 47 67.206 3.529 -7.643 388 2HB LYS 47 HB1 LYS 47 68.931 3.425 -7.310 389 1HG LYS 47 HG2 LYS 47 67.099 1.020 -7.314 390 2HG LYS 47 HG1 LYS 47 68.004 1.551 -8.729 391 1HD LYS 47 HD2 LYS 47 69.934 1.533 -6.757 392 2HD LYS 47 HD1 LYS 47 68.943 0.133 -6.345 393 1HE LYS 47 HE2 LYS 47 70.283 0.681 -9.015 394 2HE LYS 47 HE1 LYS 47 70.606 -0.663 -7.903 395 1HZ LYS 47 HZ2 LYS 47 67.911 -0.750 -8.240 396 2HZ LYS 47 HZ1 LYS 47 68.466 -0.346 -9.795 397 3HZ LYS 47 HZ3 LYS 47 69.032 -1.751 -9.033 398 H GLU 48 HN GLU 48 68.877 1.014 -4.604 399 HA GLU 48 HA GLU 48 67.023 -1.108 -4.791 400 1HB GLU 48 HB2 GLU 48 69.193 -0.283 -2.853 401 2HB GLU 48 HB1 GLU 48 68.275 -1.757 -2.575 402 1HG GLU 48 HG2 GLU 48 69.547 -1.232 -5.250 403 2HG GLU 48 HG1 GLU 48 70.495 -1.910 -3.927 404 H ILE 49 HN ILE 49 67.442 1.535 -2.594 405 HA ILE 49 HA ILE 49 65.404 0.833 -0.657 406 HB ILE 49 HB ILE 49 66.723 3.419 -1.500 407 1HG1 ILE 49 HG12 ILE 49 67.317 1.898 1.011 408 2HG1 ILE 49 HG11 ILE 49 68.028 1.363 -0.511 409 1HG2 ILE 49 HG23 ILE 49 64.607 3.823 -0.311 410 2HG2 ILE 49 HG22 ILE 49 65.152 2.786 1.006 411 3HG2 ILE 49 HG21 ILE 49 65.993 4.300 0.670 412 1HD1 ILE 49 HD11 ILE 49 68.621 3.939 -0.750 413 2HD1 ILE 49 HD13 ILE 49 68.493 3.899 1.008 414 3HD1 ILE 49 HD12 ILE 49 69.655 2.858 0.185 415 H LYS 50 HN LYS 50 65.599 3.150 -3.331 416 HA LYS 50 HA LYS 50 62.990 4.209 -3.269 417 1HB LYS 50 HB2 LYS 50 64.948 4.892 -4.696 418 2HB LYS 50 HB1 LYS 50 64.652 3.475 -5.706 419 1HG LYS 50 HG2 LYS 50 63.105 4.625 -6.860 420 2HG LYS 50 HG1 LYS 50 62.167 4.833 -5.381 421 1HD LYS 50 HD2 LYS 50 63.210 6.895 -4.871 422 2HD LYS 50 HD1 LYS 50 64.537 6.596 -5.994 423 1HE LYS 50 HE2 LYS 50 62.281 6.467 -7.625 424 2HE LYS 50 HE1 LYS 50 61.928 7.808 -6.517 425 1HZ LYS 50 HZ3 LYS 50 64.348 8.464 -6.919 426 2HZ LYS 50 HZ2 LYS 50 64.276 7.445 -8.278 427 3HZ LYS 50 HZ1 LYS 50 63.238 8.785 -8.161 428 H GLU 51 HN GLU 51 64.181 1.298 -4.983 429 HA GLU 51 HA GLU 51 61.879 0.432 -6.302 430 1HB GLU 51 HB2 GLU 51 64.005 -0.699 -6.473 431 2HB GLU 51 HB1 GLU 51 64.006 -1.065 -4.747 432 1HG GLU 51 HG2 GLU 51 62.915 -2.988 -5.153 433 2HG GLU 51 HG1 GLU 51 61.572 -2.075 -5.846 434 H ALA 52 HN ALA 52 62.778 -0.157 -2.898 435 HA ALA 52 HA ALA 52 60.787 -1.764 -1.895 436 1HB ALA 52 HB1 ALA 52 62.627 -0.555 -0.683 437 2HB ALA 52 HB3 ALA 52 61.648 0.910 -0.747 438 3HB ALA 52 HB2 ALA 52 61.081 -0.490 0.164 439 H TYR 53 HN TYR 53 60.435 1.561 -3.012 440 HA TYR 53 HA TYR 53 57.853 2.141 -1.991 441 1HB TYR 53 HB2 TYR 53 59.217 2.954 -4.577 442 2HB TYR 53 HB1 TYR 53 57.851 3.797 -3.851 443 HD1 TYR 53 HD2 TYR 53 59.667 2.557 -1.150 444 HD2 TYR 53 HD1 TYR 53 59.895 5.593 -4.182 445 HE1 TYR 53 HE2 TYR 53 61.236 3.829 0.250 446 HE2 TYR 53 HE1 TYR 53 61.456 6.879 -2.757 447 HH TYR 53 HH TYR 53 62.467 7.011 -0.785 448 H GLU 54 HN GLU 54 58.823 0.491 -4.996 449 HA GLU 54 HA GLU 54 56.237 0.224 -6.165 450 1HB GLU 54 HB2 GLU 54 58.413 -1.881 -6.187 451 2HB GLU 54 HB1 GLU 54 57.277 -1.485 -7.477 452 1HG GLU 54 HG2 GLU 54 58.493 0.924 -7.055 453 2HG GLU 54 HG1 GLU 54 59.816 -0.200 -6.749 454 H VAL 55 HN VAL 55 57.670 -1.158 -3.360 455 HA VAL 55 HA VAL 55 55.713 -3.334 -3.298 456 HB VAL 55 HB VAL 55 58.391 -2.950 -2.485 457 1HG1 VAL 55 HG11 VAL 55 56.497 -3.222 -0.152 458 2HG1 VAL 55 HG13 VAL 55 58.112 -3.922 -0.097 459 3HG1 VAL 55 HG12 VAL 55 57.915 -2.185 -0.305 460 1HG2 VAL 55 HG21 VAL 55 57.303 -4.994 -3.406 461 2HG2 VAL 55 HG23 VAL 55 58.288 -5.316 -1.979 462 3HG2 VAL 55 HG22 VAL 55 56.534 -5.237 -1.839 463 H LEU 56 HN LEU 56 56.863 -0.871 -0.984 464 HA LEU 56 HA LEU 56 54.437 -1.135 0.620 465 1HB LEU 56 HB2 LEU 56 55.585 0.699 1.919 466 2HB LEU 56 HB1 LEU 56 56.558 -0.756 1.669 467 HG LEU 56 HG LEU 56 56.982 0.875 -0.596 468 1HD1 LEU 56 HD13 LEU 56 56.014 2.664 0.940 469 2HD1 LEU 56 HD12 LEU 56 57.451 2.439 1.935 470 3HD1 LEU 56 HD11 LEU 56 57.611 2.990 0.268 471 1HD2 LEU 56 HD22 LEU 56 58.588 0.135 1.855 472 2HD2 LEU 56 HD21 LEU 56 58.674 -0.579 0.251 473 3HD2 LEU 56 HD23 LEU 56 59.290 1.050 0.520 474 H THR 57 HN THR 57 55.509 1.149 -1.876 475 HA THR 57 HA THR 57 53.324 3.010 -1.146 476 HB THR 57 HB THR 57 54.316 4.472 -2.744 477 HG1 THR 57 HG1 THR 57 56.041 3.488 -4.122 478 1HG2 THR 57 HG21 THR 57 56.310 2.804 -1.237 479 2HG2 THR 57 HG23 THR 57 56.873 4.083 -2.308 480 3HG2 THR 57 HG22 THR 57 55.813 4.471 -0.957 481 H ASP 58 HN ASP 58 52.806 0.220 -2.080 482 HA ASP 58 HA ASP 58 50.766 0.867 -4.113 483 1HB ASP 58 HB2 ASP 58 53.310 -0.345 -4.674 484 2HB ASP 58 HB1 ASP 58 52.052 -1.563 -4.903 485 H SER 59 HN SER 59 49.007 0.138 -3.166 486 HA SER 59 HA SER 59 48.702 -1.426 -0.998 487 1HB SER 59 HB2 SER 59 47.066 -1.235 -3.517 488 2HB SER 59 HB1 SER 59 46.481 -2.120 -2.111 489 HG SER 59 HG SER 59 45.769 -0.106 -1.761 490 H GLN 60 HN GLN 60 49.010 -2.731 -4.299 491 HA GLN 60 HA GLN 60 48.548 -5.429 -3.944 492 1HB GLN 60 HB2 GLN 60 49.687 -3.794 -5.830 493 2HB GLN 60 HB1 GLN 60 51.056 -4.806 -5.367 494 1HG GLN 60 HG2 GLN 60 48.932 -6.601 -5.558 495 2HG GLN 60 HG1 GLN 60 48.690 -5.504 -6.920 496 1HE2 GLN 60 HE22 GLN 60 51.687 -8.201 -7.058 497 2HE2 GLN 60 HE21 GLN 60 50.544 -8.182 -5.803 498 H LYS 61 HN LYS 61 51.799 -3.971 -3.490 499 HA LYS 61 HA LYS 61 52.848 -6.356 -2.184 500 1HB LYS 61 HB2 LYS 61 53.722 -3.732 -3.142 501 2HB LYS 61 HB1 LYS 61 54.578 -4.282 -1.703 502 1HG LYS 61 HG2 LYS 61 55.548 -4.981 -3.982 503 2HG LYS 61 HG1 LYS 61 55.353 -6.238 -2.764 504 1HD LYS 61 HD2 LYS 61 53.589 -7.240 -3.876 505 2HD LYS 61 HD1 LYS 61 53.067 -5.729 -4.622 506 1HE LYS 61 HE2 LYS 61 54.366 -6.075 -6.458 507 2HE LYS 61 HE1 LYS 61 55.758 -6.566 -5.472 508 1HZ LYS 61 HZ1 LYS 61 53.389 -8.307 -5.638 509 2HZ LYS 61 HZ3 LYS 61 54.532 -8.338 -6.890 510 3HZ LYS 61 HZ2 LYS 61 55.003 -8.722 -5.304 511 H ARG 62 HN ARG 62 52.447 -3.005 -0.957 512 HA ARG 62 HA ARG 62 53.108 -3.522 1.689 513 1HB ARG 62 HB2 ARG 62 51.752 -1.516 2.180 514 2HB ARG 62 HB1 ARG 62 52.620 -1.305 0.660 515 1HG ARG 62 HG2 ARG 62 50.583 -2.082 -0.558 516 2HG ARG 62 HG1 ARG 62 49.724 -2.124 0.978 517 1HD ARG 62 HD2 ARG 62 51.115 0.421 0.565 518 2HD ARG 62 HD1 ARG 62 49.898 0.093 -0.685 519 HE ARG 62 HE ARG 62 48.315 -0.410 1.257 520 1HH1 ARG 62 HH21 ARG 62 50.302 2.273 0.990 521 2HH1 ARG 62 HH22 ARG 62 50.046 2.848 2.604 522 1HH2 ARG 62 HH11 ARG 62 48.321 0.014 3.621 523 2HH2 ARG 62 HH12 ARG 62 48.926 1.565 4.095 524 H ALA 63 HN ALA 63 50.200 -4.391 -0.007 525 HA ALA 63 HA ALA 63 48.764 -5.142 2.466 526 1HB ALA 63 HB2 ALA 63 47.711 -4.127 0.389 527 2HB ALA 63 HB1 ALA 63 48.085 -5.630 -0.456 528 3HB ALA 63 HB3 ALA 63 46.966 -5.639 0.908 529 H ALA 64 HN ALA 64 50.828 -6.491 0.044 530 HA ALA 64 HA ALA 64 50.130 -9.293 0.689 531 1HB ALA 64 HB1 ALA 64 50.664 -8.347 -1.619 532 2HB ALA 64 HB3 ALA 64 52.334 -8.190 -1.074 533 3HB ALA 64 HB2 ALA 64 51.581 -9.784 -1.165 534 H TYR 65 HN TYR 65 53.006 -7.144 0.921 535 HA TYR 65 HA TYR 65 54.613 -9.092 2.313 536 1HB TYR 65 HB2 TYR 65 54.655 -6.205 1.603 537 2HB TYR 65 HB1 TYR 65 55.715 -6.704 2.933 538 HD1 TYR 65 HD1 TYR 65 56.765 -9.226 2.368 539 HD2 TYR 65 HD2 TYR 65 55.746 -6.154 -0.452 540 HE1 TYR 65 HE1 TYR 65 58.353 -10.202 0.734 541 HE2 TYR 65 HE2 TYR 65 57.339 -7.132 -2.087 542 HH TYR 65 HH TYR 65 59.110 -10.127 -1.364 543 H ASP 66 HN ASP 66 52.163 -6.819 3.369 544 HA ASP 66 HA ASP 66 52.822 -6.387 6.060 545 1HB ASP 66 HB2 ASP 66 50.327 -6.325 6.364 546 2HB ASP 66 HB1 ASP 66 50.869 -5.425 4.946 547 H GLN 67 HN GLN 67 51.536 -9.306 4.508 548 HA GLN 67 HA GLN 67 51.665 -10.725 7.151 549 1HB GLN 67 HB2 GLN 67 50.266 -11.485 4.565 550 2HB GLN 67 HB1 GLN 67 50.062 -12.260 6.136 551 1HG GLN 67 HG2 GLN 67 49.602 -9.523 6.594 552 2HG GLN 67 HG1 GLN 67 48.756 -9.894 5.092 553 1HE2 GLN 67 HE22 GLN 67 46.441 -12.145 6.650 554 2HE2 GLN 67 HE21 GLN 67 47.185 -11.761 5.174 555 H TYR 68 HN TYR 68 53.516 -10.207 4.464 556 HA TYR 68 HA TYR 68 55.340 -11.372 3.516 557 1HB TYR 68 HB2 TYR 68 54.945 -12.256 6.287 558 2HB TYR 68 HB1 TYR 68 55.786 -13.455 5.297 559 HD1 TYR 68 HD1 TYR 68 55.767 -9.715 5.708 560 HD2 TYR 68 HD2 TYR 68 58.103 -13.292 5.262 561 HE1 TYR 68 HE1 TYR 68 57.850 -8.374 5.843 562 HE2 TYR 68 HE2 TYR 68 60.184 -11.951 5.398 563 HH TYR 68 HH TYR 68 60.759 -9.561 6.519 564 H GLY 69 HN GLY 69 52.474 -12.233 2.993 565 1HA GLY 69 HA2 GLY 69 52.039 -13.882 1.192 566 2HA GLY 69 HA1 GLY 69 53.121 -14.990 2.036 567 H HIS 70 HN HIS 70 50.764 -16.072 1.511 568 HA HIS 70 HA HIS 70 48.767 -15.561 3.594 569 1HB HIS 70 HB2 HIS 70 47.722 -17.588 2.484 570 2HB HIS 70 HB1 HIS 70 48.090 -16.262 1.375 571 HD1 HIS 70 HD1 HIS 70 50.008 -19.287 2.726 572 HD2 HIS 70 HD2 HIS 70 49.405 -17.219 -0.843 573 HE1 HIS 70 HE1 HIS 70 51.356 -20.500 0.959 574 H ALA 71 HN ALA 71 51.729 -16.876 3.844 575 HA ALA 71 HA ALA 71 51.214 -19.410 5.162 576 1HB ALA 71 HB1 ALA 71 53.402 -17.795 4.276 577 2HB ALA 71 HB3 ALA 71 53.677 -18.192 5.972 578 3HB ALA 71 HB2 ALA 71 53.440 -19.481 4.791 579 H ALA 72 HN ALA 72 51.700 -16.062 6.263 580 HA ALA 72 HA ALA 72 51.934 -16.464 9.043 581 1HB ALA 72 HB1 ALA 72 52.078 -14.338 7.636 582 2HB ALA 72 HB3 ALA 72 50.316 -14.295 7.679 583 3HB ALA 72 HB2 ALA 72 51.237 -14.167 9.177 584 H PHE 73 HN PHE 73 49.213 -17.011 6.963 585 HA PHE 73 HA PHE 73 47.506 -17.542 9.373 586 1HB PHE 73 HB2 PHE 73 47.167 -15.756 7.084 587 2HB PHE 73 HB1 PHE 73 45.810 -16.877 7.255 588 HD1 PHE 73 HD1 PHE 73 45.328 -17.296 9.982 589 HD2 PHE 73 HD2 PHE 73 46.770 -13.708 8.112 590 HE1 PHE 73 HE1 PHE 73 44.458 -15.957 11.880 591 HE2 PHE 73 HE2 PHE 73 45.900 -12.370 10.010 592 HZ PHE 73 HZ PHE 73 44.744 -13.495 11.894 593 H GLU 74 HN GLU 74 49.214 -19.254 7.471 594 HA GLU 74 HA GLU 74 49.017 -21.375 6.447 595 1HB GLU 74 HB2 GLU 74 46.419 -21.218 8.012 596 2HB GLU 74 HB1 GLU 74 47.102 -22.701 7.343 597 1HG GLU 74 HG2 GLU 74 48.772 -20.963 9.142 598 2HG GLU 74 HG1 GLU 74 47.602 -22.083 9.840 599 H GLN 75 HN GLN 75 47.849 -22.499 4.699 600 HA GLN 75 HA GLN 75 46.801 -20.808 2.682 601 1HB GLN 75 HB2 GLN 75 47.118 -23.679 3.258 602 2HB GLN 75 HB1 GLN 75 45.795 -23.321 2.149 603 1HG GLN 75 HG2 GLN 75 47.239 -22.882 0.479 604 2HG GLN 75 HG1 GLN 75 48.105 -21.718 1.482 605 1HE2 GLN 75 HE22 GLN 75 50.331 -24.671 0.604 606 2HE2 GLN 75 HE21 GLN 75 49.361 -23.657 -0.352 607 H GLY 76 HN GLY 76 44.937 -23.233 4.562 608 1HA GLY 76 HA2 GLY 76 42.595 -21.380 4.387 609 2HA GLY 76 HA1 GLY 76 42.418 -23.116 4.128 610 H GLY 77 HN GLY 77 43.790 -24.291 6.109 611 1HA GLY 77 HA2 GLY 77 42.402 -23.288 8.550 612 2HA GLY 77 HA1 GLY 77 42.944 -24.951 8.304 No H/Q in entry = 612 Start of MODEL 9 1 1H ALA 1 HT1 ALA 1 70.412 -11.840 -1.825 2 2H ALA 1 HT3 ALA 1 71.224 -11.415 -3.252 3 3H ALA 1 HT2 ALA 1 70.108 -10.337 -2.558 4 HA ALA 1 HA ALA 1 68.985 -11.328 -4.379 5 1HB ALA 1 HB2 ALA 1 70.856 -13.174 -4.234 6 2HB ALA 1 HB1 ALA 1 69.661 -14.040 -3.269 7 3HB ALA 1 HB3 ALA 1 69.290 -13.586 -4.932 8 H LYS 2 HN LYS 2 68.755 -11.128 -1.167 9 HA LYS 2 HA LYS 2 65.895 -11.772 -1.136 10 1HB LYS 2 HB2 LYS 2 66.912 -13.981 -0.843 11 2HB LYS 2 HB1 LYS 2 67.918 -13.366 0.470 12 1HG LYS 2 HG2 LYS 2 66.109 -13.159 1.938 13 2HG LYS 2 HG1 LYS 2 64.929 -13.094 0.628 14 1HD LYS 2 HD2 LYS 2 66.446 -15.583 0.596 15 2HD LYS 2 HD1 LYS 2 65.593 -15.353 2.123 16 1HE LYS 2 HE2 LYS 2 63.539 -14.738 0.666 17 2HE LYS 2 HE1 LYS 2 64.438 -15.492 -0.666 18 1HZ LYS 2 HZ1 LYS 2 64.441 -16.935 1.857 19 2HZ LYS 2 HZ3 LYS 2 62.949 -16.882 1.052 20 3HZ LYS 2 HZ2 LYS 2 64.313 -17.525 0.270 21 H GLN 3 HN GLN 3 66.304 -9.355 -0.653 22 HA GLN 3 HA GLN 3 67.049 -8.909 2.212 23 1HB GLN 3 HB2 GLN 3 67.557 -6.672 1.507 24 2HB GLN 3 HB1 GLN 3 68.195 -7.730 0.247 25 1HG GLN 3 HG2 GLN 3 65.761 -7.397 -0.776 26 2HG GLN 3 HG1 GLN 3 65.818 -5.914 0.177 27 1HE2 GLN 3 HE22 GLN 3 68.929 -4.935 -1.681 28 2HE2 GLN 3 HE21 GLN 3 68.582 -5.284 -0.057 29 H ASP 4 HN ASP 4 65.680 -6.359 2.320 30 HA ASP 4 HA ASP 4 62.821 -6.926 1.840 31 1HB ASP 4 HB2 ASP 4 62.954 -6.131 4.564 32 2HB ASP 4 HB1 ASP 4 62.430 -7.692 3.938 33 H TYR 5 HN TYR 5 62.581 -5.163 0.685 34 HA TYR 5 HA TYR 5 63.676 -2.638 0.938 35 1HB TYR 5 HB2 TYR 5 60.908 -2.276 0.338 36 2HB TYR 5 HB1 TYR 5 62.283 -2.287 -0.753 37 HD1 TYR 5 HD1 TYR 5 59.837 -4.492 0.934 38 HD2 TYR 5 HD2 TYR 5 62.686 -4.039 -2.240 39 HE1 TYR 5 HE1 TYR 5 59.057 -6.635 -0.064 40 HE2 TYR 5 HE2 TYR 5 61.909 -6.179 -3.248 41 HH TYR 5 HH TYR 5 60.325 -8.452 -1.725 42 H TYR 6 HN TYR 6 60.657 -3.726 2.541 43 HA TYR 6 HA TYR 6 60.069 -1.460 4.069 44 1HB TYR 6 HB2 TYR 6 59.899 -4.420 4.501 45 2HB TYR 6 HB1 TYR 6 59.430 -3.327 5.805 46 HD1 TYR 6 HD2 TYR 6 57.718 -1.493 5.301 47 HD2 TYR 6 HD1 TYR 6 58.450 -4.811 2.673 48 HE1 TYR 6 HE2 TYR 6 55.522 -1.116 4.205 49 HE2 TYR 6 HE1 TYR 6 56.246 -4.440 1.589 50 HH TYR 6 HH TYR 6 53.993 -2.012 2.833 51 H GLU 7 HN GLU 7 62.626 -3.810 4.415 52 HA GLU 7 HA GLU 7 63.627 -2.626 6.934 53 1HB GLU 7 HB2 GLU 7 63.578 -5.133 6.141 54 2HB GLU 7 HB1 GLU 7 65.006 -4.683 5.208 55 1HG GLU 7 HG2 GLU 7 66.249 -4.945 7.063 56 2HG GLU 7 HG1 GLU 7 65.376 -3.599 7.797 57 H ILE 8 HN ILE 8 64.275 -2.698 3.464 58 HA ILE 8 HA ILE 8 66.855 -1.648 3.318 59 HB ILE 8 HB ILE 8 64.383 -1.233 1.673 60 1HG1 ILE 8 HG12 ILE 8 66.947 -2.846 1.361 61 2HG1 ILE 8 HG11 ILE 8 65.330 -3.492 1.647 62 1HG2 ILE 8 HG23 ILE 8 67.116 -0.035 1.395 63 2HG2 ILE 8 HG22 ILE 8 66.245 -0.504 -0.064 64 3HG2 ILE 8 HG21 ILE 8 65.542 0.678 1.039 65 1HD1 ILE 8 HD13 ILE 8 64.908 -1.974 -0.592 66 2HD1 ILE 8 HD12 ILE 8 66.558 -2.538 -0.862 67 3HD1 ILE 8 HD11 ILE 8 65.257 -3.703 -0.617 68 H LEU 9 HN LEU 9 63.766 0.059 3.674 69 HA LEU 9 HA LEU 9 65.088 2.691 3.981 70 1HB LEU 9 HB2 LEU 9 62.188 1.951 4.409 71 2HB LEU 9 HB1 LEU 9 62.847 3.501 3.883 72 HG LEU 9 HG LEU 9 63.783 1.590 2.036 73 1HD1 LEU 9 HD11 LEU 9 61.459 0.584 3.239 74 2HD1 LEU 9 HD13 LEU 9 60.911 1.286 1.716 75 3HD1 LEU 9 HD12 LEU 9 62.168 0.049 1.715 76 1HD2 LEU 9 HD22 LEU 9 63.132 3.992 1.674 77 2HD2 LEU 9 HD21 LEU 9 62.465 2.896 0.462 78 3HD2 LEU 9 HD23 LEU 9 61.443 3.495 1.767 79 H GLY 10 HN GLY 10 65.017 0.157 5.943 80 1HA GLY 10 HA2 GLY 10 65.346 -0.028 8.255 81 2HA GLY 10 HA1 GLY 10 65.263 1.730 8.352 82 H VAL 11 HN VAL 11 62.538 0.290 6.776 83 HA VAL 11 HA VAL 11 60.947 0.883 9.243 84 HB VAL 11 HB VAL 11 59.275 0.216 7.052 85 1HG1 VAL 11 HG13 VAL 11 60.000 2.721 8.539 86 2HG1 VAL 11 HG12 VAL 11 58.846 2.764 7.206 87 3HG1 VAL 11 HG11 VAL 11 58.517 1.770 8.626 88 1HG2 VAL 11 HG21 VAL 11 61.533 2.059 6.283 89 2HG2 VAL 11 HG23 VAL 11 60.992 0.602 5.448 90 3HG2 VAL 11 HG22 VAL 11 59.971 2.036 5.470 91 H SER 12 HN SER 12 58.876 -0.575 9.317 92 HA SER 12 HA SER 12 59.797 -3.367 9.494 93 1HB SER 12 HB2 SER 12 58.595 -2.830 11.391 94 2HB SER 12 HB1 SER 12 57.596 -1.657 10.535 95 HG SER 12 HG SER 12 57.443 -4.466 10.144 96 H LYS 13 HN LYS 13 58.722 -5.104 8.386 97 HA LYS 13 HA LYS 13 57.984 -4.680 5.711 98 1HB LYS 13 HB2 LYS 13 57.073 -6.937 5.858 99 2HB LYS 13 HB1 LYS 13 58.596 -6.820 6.741 100 1HG LYS 13 HG2 LYS 13 56.643 -6.099 8.616 101 2HG LYS 13 HG1 LYS 13 55.936 -7.461 7.748 102 1HD LYS 13 HD2 LYS 13 57.272 -8.883 8.866 103 2HD LYS 13 HD1 LYS 13 58.696 -8.049 8.244 104 1HE LYS 13 HE2 LYS 13 57.488 -6.443 10.320 105 2HE LYS 13 HE1 LYS 13 57.791 -8.083 10.927 106 1HZ LYS 13 HZ1 LYS 13 60.006 -7.833 9.661 107 2HZ LYS 13 HZ3 LYS 13 59.700 -6.168 9.749 108 3HZ LYS 13 HZ2 LYS 13 59.846 -7.081 11.175 109 H THR 14 HN THR 14 56.230 -4.114 8.604 110 HA THR 14 HA THR 14 53.650 -3.851 7.145 111 HB THR 14 HB THR 14 52.672 -4.117 9.279 112 HG1 THR 14 HG1 THR 14 54.055 -3.840 11.180 113 1HG2 THR 14 HG23 THR 14 54.599 -5.921 8.462 114 2HG2 THR 14 HG22 THR 14 55.053 -5.605 10.137 115 3HG2 THR 14 HG21 THR 14 53.435 -6.198 9.757 116 H ALA 15 HN ALA 15 56.265 -1.964 7.535 117 HA ALA 15 HA ALA 15 55.536 0.422 8.814 118 1HB ALA 15 HB1 ALA 15 57.719 -0.241 7.873 119 2HB ALA 15 HB3 ALA 15 57.070 -0.017 6.250 120 3HB ALA 15 HB2 ALA 15 57.226 1.361 7.333 121 H GLU 16 HN GLU 16 55.842 2.153 6.454 122 HA GLU 16 HA GLU 16 53.397 1.832 4.849 123 1HB GLU 16 HB2 GLU 16 53.767 4.036 6.911 124 2HB GLU 16 HB1 GLU 16 52.500 4.038 5.679 125 1HG GLU 16 HG2 GLU 16 51.953 1.655 6.622 126 2HG GLU 16 HG1 GLU 16 52.817 2.225 8.051 127 H GLU 17 HN GLU 17 53.596 4.941 4.578 128 HA GLU 17 HA GLU 17 55.600 4.885 2.413 129 1HB GLU 17 HB2 GLU 17 53.345 5.757 2.053 130 2HB GLU 17 HB1 GLU 17 53.572 6.931 3.349 131 1HG GLU 17 HG2 GLU 17 54.785 8.323 2.032 132 2HG GLU 17 HG1 GLU 17 55.695 6.993 1.314 133 H ARG 18 HN ARG 18 54.850 7.612 4.505 134 HA ARG 18 HA ARG 18 57.148 9.046 4.484 135 1HB ARG 18 HB2 ARG 18 56.542 9.372 7.071 136 2HB ARG 18 HB1 ARG 18 55.508 9.990 5.784 137 1HG ARG 18 HG2 ARG 18 53.920 8.313 6.069 138 2HG ARG 18 HG1 ARG 18 55.081 7.183 6.761 139 1HD ARG 18 HD2 ARG 18 54.317 9.734 8.208 140 2HD ARG 18 HD1 ARG 18 53.398 8.230 8.412 141 HE ARG 18 HE ARG 18 56.286 7.862 8.676 142 1HH1 ARG 18 HH11 ARG 18 54.980 6.000 10.246 143 2HH1 ARG 18 HH12 ARG 18 54.791 6.710 11.813 144 1HH2 ARG 18 HH21 ARG 18 55.343 9.948 10.706 145 2HH2 ARG 18 HH22 ARG 18 54.996 8.944 12.074 146 H GLU 19 HN GLU 19 56.720 6.366 6.837 147 HA GLU 19 HA GLU 19 59.344 6.608 7.936 148 1HB GLU 19 HB2 GLU 19 58.740 4.252 8.724 149 2HB GLU 19 HB1 GLU 19 57.611 5.518 9.169 150 1HG GLU 19 HG2 GLU 19 56.874 4.522 6.590 151 2HG GLU 19 HG1 GLU 19 57.087 3.151 7.677 152 H ILE 20 HN ILE 20 58.063 5.178 5.061 153 HA ILE 20 HA ILE 20 60.469 3.529 4.572 154 HB ILE 20 HB ILE 20 57.747 3.551 3.821 155 1HG1 ILE 20 HG12 ILE 20 58.996 1.578 2.306 156 2HG1 ILE 20 HG11 ILE 20 60.092 1.839 3.659 157 1HG2 ILE 20 HG21 ILE 20 59.561 4.200 1.522 158 2HG2 ILE 20 HG23 ILE 20 58.142 3.193 1.275 159 3HG2 ILE 20 HG22 ILE 20 57.962 4.839 1.878 160 1HD1 ILE 20 HD12 ILE 20 57.425 1.851 4.682 161 2HD1 ILE 20 HD11 ILE 20 57.606 0.429 3.655 162 3HD1 ILE 20 HD13 ILE 20 58.708 0.686 5.007 163 H ARG 21 HN ARG 21 58.874 6.455 3.266 164 HA ARG 21 HA ARG 21 61.044 6.983 1.385 165 1HB ARG 21 HB2 ARG 21 59.859 9.043 1.001 166 2HB ARG 21 HB1 ARG 21 58.617 7.836 1.322 167 1HG ARG 21 HG2 ARG 21 57.968 9.657 2.665 168 2HG ARG 21 HG1 ARG 21 58.815 8.601 3.789 169 1HD ARG 21 HD2 ARG 21 60.196 10.331 4.279 170 2HD ARG 21 HD1 ARG 21 60.797 10.264 2.611 171 HE ARG 21 HE ARG 21 58.996 12.258 3.624 172 1HH1 ARG 21 HH11 ARG 21 60.528 11.229 0.868 173 2HH1 ARG 21 HH12 ARG 21 59.329 11.799 -0.245 174 1HH2 ARG 21 HH21 ARG 21 57.011 12.544 2.224 175 2HH2 ARG 21 HH22 ARG 21 57.336 12.541 0.523 176 H LYS 22 HN LYS 22 60.233 7.818 4.690 177 HA LYS 22 HA LYS 22 61.985 9.829 5.381 178 1HB LYS 22 HB2 LYS 22 60.602 9.078 7.088 179 2HB LYS 22 HB1 LYS 22 60.866 7.383 6.689 180 1HG LYS 22 HG2 LYS 22 61.938 8.073 8.851 181 2HG LYS 22 HG1 LYS 22 63.090 7.443 7.673 182 1HD LYS 22 HD2 LYS 22 64.186 9.380 8.342 183 2HD LYS 22 HD1 LYS 22 63.266 9.993 6.967 184 1HE LYS 22 HE2 LYS 22 61.878 11.238 8.289 185 2HE LYS 22 HE1 LYS 22 61.830 10.004 9.563 186 1HZ LYS 22 HZ1 LYS 22 64.389 10.669 9.658 187 2HZ LYS 22 HZ3 LYS 22 63.756 12.153 9.138 188 3HZ LYS 22 HZ2 LYS 22 63.209 11.459 10.589 189 H ALA 23 HN ALA 23 62.769 6.344 5.152 190 HA ALA 23 HA ALA 23 65.494 6.573 5.970 191 1HB ALA 23 HB3 ALA 23 63.688 4.607 5.233 192 2HB ALA 23 HB2 ALA 23 64.896 4.534 3.950 193 3HB ALA 23 HB1 ALA 23 65.384 4.332 5.633 194 H TYR 24 HN TYR 24 64.107 6.477 2.663 195 HA TYR 24 HA TYR 24 66.628 6.831 1.327 196 1HB TYR 24 HB2 TYR 24 64.443 5.865 0.443 197 2HB TYR 24 HB1 TYR 24 63.825 7.514 0.381 198 HD1 TYR 24 HD1 TYR 24 67.284 6.319 -0.348 199 HD2 TYR 24 HD2 TYR 24 63.639 7.946 -1.936 200 HE1 TYR 24 HE1 TYR 24 68.389 6.659 -2.543 201 HE2 TYR 24 HE2 TYR 24 64.744 8.285 -4.128 202 HH TYR 24 HH TYR 24 67.295 8.628 -4.864 203 H LYS 25 HN LYS 25 64.345 8.931 2.876 204 HA LYS 25 HA LYS 25 65.433 11.335 1.582 205 1HB LYS 25 HB2 LYS 25 63.176 11.558 1.844 206 2HB LYS 25 HB1 LYS 25 63.134 10.410 3.174 207 1HG LYS 25 HG2 LYS 25 64.511 12.927 3.835 208 2HG LYS 25 HG1 LYS 25 62.794 13.113 3.463 209 1HD LYS 25 HD2 LYS 25 62.146 11.556 5.106 210 2HD LYS 25 HD1 LYS 25 63.786 10.929 5.281 211 1HE LYS 25 HE2 LYS 25 63.837 12.332 7.112 212 2HE LYS 25 HE1 LYS 25 64.168 13.580 5.894 213 1HZ LYS 25 HZ2 LYS 25 61.383 12.787 6.287 214 2HZ LYS 25 HZ1 LYS 25 62.090 13.735 7.508 215 3HZ LYS 25 HZ3 LYS 25 62.032 14.312 5.914 216 H ARG 26 HN ARG 26 65.379 9.729 4.746 217 HA ARG 26 HA ARG 26 67.087 11.807 5.945 218 1HB ARG 26 HB2 ARG 26 66.549 10.722 7.980 219 2HB ARG 26 HB1 ARG 26 65.097 10.572 6.998 220 1HG ARG 26 HG2 ARG 26 65.191 8.340 7.178 221 2HG ARG 26 HG1 ARG 26 66.792 8.327 6.458 222 1HD ARG 26 HD2 ARG 26 67.684 8.992 8.768 223 2HD ARG 26 HD1 ARG 26 66.074 8.565 9.380 224 HE ARG 26 HE ARG 26 67.152 6.506 7.636 225 1HH1 ARG 26 HH21 ARG 26 67.836 7.905 10.681 226 2HH1 ARG 26 HH22 ARG 26 67.988 6.389 11.506 227 1HH2 ARG 26 HH11 ARG 26 67.056 4.496 8.756 228 2HH2 ARG 26 HH12 ARG 26 67.544 4.461 10.417 229 H LEU 27 HN LEU 27 67.425 8.480 4.731 230 HA LEU 27 HA LEU 27 70.151 8.199 5.773 231 1HB LEU 27 HB2 LEU 27 69.930 6.019 5.041 232 2HB LEU 27 HB1 LEU 27 68.222 6.442 5.157 233 HG LEU 27 HG LEU 27 68.519 7.204 2.670 234 1HD1 LEU 27 HD11 LEU 27 71.066 5.829 3.291 235 2HD1 LEU 27 HD13 LEU 27 70.288 5.329 1.790 236 3HD1 LEU 27 HD12 LEU 27 70.706 7.023 2.043 237 1HD2 LEU 27 HD23 LEU 27 67.550 4.940 3.868 238 2HD2 LEU 27 HD22 LEU 27 67.442 5.270 2.139 239 3HD2 LEU 27 HD21 LEU 27 68.749 4.264 2.765 240 H ALA 28 HN ALA 28 68.580 9.030 2.732 241 HA ALA 28 HA ALA 28 71.019 9.014 1.167 242 1HB ALA 28 HB1 ALA 28 68.558 8.685 0.501 243 2HB ALA 28 HB3 ALA 28 68.419 10.440 0.603 244 3HB ALA 28 HB2 ALA 28 69.529 9.709 -0.557 245 H MET 29 HN MET 29 69.055 11.552 2.748 246 HA MET 29 HA MET 29 70.578 13.786 1.851 247 1HB MET 29 HB2 MET 29 69.585 14.897 3.774 248 2HB MET 29 HB1 MET 29 68.392 13.749 3.163 249 1HG MET 29 HG2 MET 29 68.939 12.151 4.877 250 2HG MET 29 HG1 MET 29 70.336 13.097 5.392 251 1HE MET 29 HE1 MET 29 70.355 15.264 5.909 252 2HE MET 29 HE3 MET 29 69.003 16.367 6.202 253 3HE MET 29 HE2 MET 29 69.687 15.433 7.529 254 H LYS 30 HN LYS 30 71.140 11.275 4.206 255 HA LYS 30 HA LYS 30 73.567 12.565 5.309 256 1HB LYS 30 HB2 LYS 30 71.697 10.401 5.949 257 2HB LYS 30 HB1 LYS 30 73.377 9.936 6.212 258 1HG LYS 30 HG2 LYS 30 73.499 11.205 8.065 259 2HG LYS 30 HG1 LYS 30 72.923 12.621 7.184 260 1HD LYS 30 HD2 LYS 30 70.684 12.193 7.689 261 2HD LYS 30 HD1 LYS 30 70.975 10.477 7.975 262 1HE LYS 30 HE2 LYS 30 72.080 12.672 9.760 263 2HE LYS 30 HE1 LYS 30 70.578 11.789 10.095 264 1HZ LYS 30 HZ2 LYS 30 72.003 9.720 9.653 265 2HZ LYS 30 HZ1 LYS 30 73.333 10.743 9.923 266 3HZ LYS 30 HZ3 LYS 30 72.183 10.506 11.149 267 H TYR 31 HN TYR 31 72.661 10.428 2.759 268 HA TYR 31 HA TYR 31 75.456 9.401 2.513 269 1HB TYR 31 HB2 TYR 31 72.735 8.377 2.010 270 2HB TYR 31 HB1 TYR 31 73.914 7.977 0.754 271 HD1 TYR 31 HD2 TYR 31 74.299 8.445 4.442 272 HD2 TYR 31 HD1 TYR 31 74.589 5.755 1.110 273 HE1 TYR 31 HE2 TYR 31 75.291 6.729 5.919 274 HE2 TYR 31 HE1 TYR 31 75.584 4.034 2.585 275 HH TYR 31 HH TYR 31 75.487 4.214 5.944 276 H HIS 32 HN HIS 32 73.872 11.931 1.488 277 HA HIS 32 HA HIS 32 73.884 12.023 -1.329 278 1HB HIS 32 HB2 HIS 32 73.801 14.399 -0.840 279 2HB HIS 32 HB1 HIS 32 73.005 13.564 0.479 280 HD1 HIS 32 HD1 HIS 32 73.950 13.785 2.779 281 HD2 HIS 32 HD2 HIS 32 76.646 15.099 -0.112 282 HE1 HIS 32 HE1 HIS 32 75.874 14.860 4.024 283 HA PRO 33 HA PRO 33 78.077 12.529 -2.508 284 1HB PRO 33 HB2 PRO 33 78.850 15.140 -2.849 285 2HB PRO 33 HB1 PRO 33 77.837 14.250 -4.004 286 1HG PRO 33 HG2 PRO 33 77.052 16.221 -1.926 287 2HG PRO 33 HG1 PRO 33 76.406 15.978 -3.556 288 1HD PRO 33 HD2 PRO 33 75.189 15.129 -1.303 289 2HD PRO 33 HD1 PRO 33 74.971 14.337 -2.879 290 H ASP 34 HN ASP 34 77.707 12.260 0.244 291 HA ASP 34 HA ASP 34 79.767 13.919 1.592 292 1HB ASP 34 HB2 ASP 34 78.292 13.555 3.316 293 2HB ASP 34 HB1 ASP 34 77.320 12.526 2.271 294 H ARG 35 HN ARG 35 78.877 10.623 0.747 295 HA ARG 35 HA ARG 35 81.748 9.818 0.731 296 1HB ARG 35 HB2 ARG 35 80.992 7.693 1.790 297 2HB ARG 35 HB1 ARG 35 80.631 9.083 2.815 298 1HG ARG 35 HG2 ARG 35 78.616 7.846 2.823 299 2HG ARG 35 HG1 ARG 35 78.327 9.104 1.622 300 1HD ARG 35 HD2 ARG 35 77.961 7.529 0.067 301 2HD ARG 35 HD1 ARG 35 79.598 6.895 0.316 302 HE ARG 35 HE ARG 35 77.245 6.061 1.977 303 1HH1 ARG 35 HH11 ARG 35 79.989 5.488 3.064 304 2HH1 ARG 35 HH12 ARG 35 80.275 3.881 2.483 305 1HH2 ARG 35 HH21 ARG 35 77.745 3.999 0.117 306 2HH2 ARG 35 HH22 ARG 35 79.006 3.039 0.813 307 H ASN 36 HN ASN 36 78.447 9.539 -0.540 308 HA ASN 36 HA ASN 36 78.599 7.332 -2.236 309 1HB ASN 36 HB2 ASN 36 77.300 10.025 -2.241 310 2HB ASN 36 HB1 ASN 36 77.200 9.071 -3.719 311 1HD2 ASN 36 HD22 ASN 36 74.265 7.957 -1.854 312 2HD2 ASN 36 HD21 ASN 36 74.766 9.274 -2.800 313 H GLN 37 HN GLN 37 80.290 10.382 -2.477 314 HA GLN 37 HA GLN 37 81.034 10.066 -5.286 315 1HB GLN 37 HB2 GLN 37 82.295 11.810 -3.154 316 2HB GLN 37 HB1 GLN 37 82.234 12.109 -4.891 317 1HG GLN 37 HG2 GLN 37 79.558 11.729 -3.903 318 2HG GLN 37 HG1 GLN 37 80.371 12.958 -2.933 319 1HE2 GLN 37 HE22 GLN 37 80.850 15.173 -5.754 320 2HE2 GLN 37 HE21 GLN 37 81.611 14.669 -4.323 321 H GLY 38 HN GLY 38 81.904 8.306 -2.655 322 1HA GLY 38 HA2 GLY 38 84.739 8.030 -3.583 323 2HA GLY 38 HA1 GLY 38 84.209 7.676 -1.939 324 H ASP 39 HN ASP 39 81.687 6.518 -3.453 325 HA ASP 39 HA ASP 39 82.820 4.042 -4.601 326 1HB ASP 39 HB2 ASP 39 81.174 4.022 -2.048 327 2HB ASP 39 HB1 ASP 39 81.864 2.617 -2.861 328 H LYS 40 HN LYS 40 81.479 3.758 -6.353 329 HA LYS 40 HA LYS 40 78.696 4.708 -6.241 330 1HB LYS 40 HB2 LYS 40 80.726 4.020 -8.256 331 2HB LYS 40 HB1 LYS 40 79.100 3.493 -8.692 332 1HG LYS 40 HG2 LYS 40 79.671 5.830 -9.462 333 2HG LYS 40 HG1 LYS 40 78.232 5.731 -8.448 334 1HD LYS 40 HD2 LYS 40 79.528 7.577 -7.617 335 2HD LYS 40 HD1 LYS 40 79.727 6.258 -6.462 336 1HE LYS 40 HE2 LYS 40 81.911 5.731 -7.280 337 2HE LYS 40 HE1 LYS 40 81.684 6.729 -8.731 338 1HZ LYS 40 HZ1 LYS 40 81.571 7.789 -5.959 339 2HZ LYS 40 HZ3 LYS 40 82.959 7.854 -6.931 340 3HZ LYS 40 HZ2 LYS 40 81.554 8.686 -7.401 341 H GLU 41 HN GLU 41 80.503 1.790 -6.116 342 HA GLU 41 HA GLU 41 78.789 -0.273 -6.780 343 1HB GLU 41 HB2 GLU 41 79.861 -1.342 -4.689 344 2HB GLU 41 HB1 GLU 41 80.982 -0.651 -5.866 345 1HG GLU 41 HG2 GLU 41 81.265 1.350 -4.569 346 2HG GLU 41 HG1 GLU 41 79.911 0.934 -3.520 347 H ALA 42 HN ALA 42 78.543 1.989 -4.089 348 HA ALA 42 HA ALA 42 76.321 0.522 -2.798 349 1HB ALA 42 HB2 ALA 42 78.209 1.809 -1.657 350 2HB ALA 42 HB1 ALA 42 77.424 3.285 -2.222 351 3HB ALA 42 HB3 ALA 42 76.582 2.210 -1.105 352 H GLU 43 HN GLU 43 76.749 2.929 -5.201 353 HA GLU 43 HA GLU 43 74.681 4.730 -5.117 354 1HB GLU 43 HB2 GLU 43 76.221 4.283 -7.030 355 2HB GLU 43 HB1 GLU 43 75.254 2.859 -7.424 356 1HG GLU 43 HG2 GLU 43 73.768 4.123 -8.526 357 2HG GLU 43 HG1 GLU 43 73.504 5.107 -7.087 358 H ALA 44 HN ALA 44 74.347 1.406 -6.290 359 HA ALA 44 HA ALA 44 71.637 1.469 -6.846 360 1HB ALA 44 HB2 ALA 44 73.461 -0.293 -7.299 361 2HB ALA 44 HB1 ALA 44 73.070 -0.931 -5.702 362 3HB ALA 44 HB3 ALA 44 71.840 -0.903 -6.966 363 H LYS 45 HN LYS 45 73.095 0.222 -3.803 364 HA LYS 45 HA LYS 45 70.763 -0.383 -2.410 365 1HB LYS 45 HB2 LYS 45 72.959 -0.744 -1.463 366 2HB LYS 45 HB1 LYS 45 73.298 0.994 -1.470 367 1HG LYS 45 HG2 LYS 45 71.570 1.402 0.178 368 2HG LYS 45 HG1 LYS 45 71.014 -0.269 0.079 369 1HD LYS 45 HD2 LYS 45 72.373 -0.134 2.050 370 2HD LYS 45 HD1 LYS 45 73.347 -0.963 0.835 371 1HE LYS 45 HE2 LYS 45 74.880 0.624 1.613 372 2HE LYS 45 HE1 LYS 45 74.142 1.521 0.273 373 1HZ LYS 45 HZ2 LYS 45 72.439 1.800 2.446 374 2HZ LYS 45 HZ1 LYS 45 74.005 2.069 3.050 375 3HZ LYS 45 HZ3 LYS 45 73.426 2.997 1.755 376 H PHE 46 HN PHE 46 71.959 2.780 -3.342 377 HA PHE 46 HA PHE 46 70.300 4.305 -1.510 378 1HB PHE 46 HB2 PHE 46 71.495 5.096 -4.182 379 2HB PHE 46 HB1 PHE 46 71.047 6.178 -2.865 380 HD1 PHE 46 HD2 PHE 46 72.078 3.870 -0.814 381 HD2 PHE 46 HD1 PHE 46 73.796 6.122 -4.041 382 HE1 PHE 46 HE2 PHE 46 74.331 3.581 0.185 383 HE2 PHE 46 HE1 PHE 46 76.047 5.833 -3.045 384 HZ PHE 46 HZ PHE 46 76.315 4.562 -0.934 385 H LYS 47 HN LYS 47 69.980 3.436 -4.994 386 HA LYS 47 HA LYS 47 67.234 4.549 -4.986 387 1HB LYS 47 HB2 LYS 47 67.582 4.633 -7.247 388 2HB LYS 47 HB1 LYS 47 69.259 4.269 -6.857 389 1HG LYS 47 HG2 LYS 47 67.182 2.120 -7.341 390 2HG LYS 47 HG1 LYS 47 68.210 2.771 -8.617 391 1HD LYS 47 HD2 LYS 47 69.978 2.209 -6.533 392 2HD LYS 47 HD1 LYS 47 68.862 0.842 -6.538 393 1HE LYS 47 HE2 LYS 47 70.455 1.872 -8.914 394 2HE LYS 47 HE1 LYS 47 70.651 0.309 -8.095 395 1HZ LYS 47 HZ2 LYS 47 68.067 0.226 -8.561 396 2HZ LYS 47 HZ1 LYS 47 68.512 1.222 -9.865 397 3HZ LYS 47 HZ3 LYS 47 69.198 -0.321 -9.706 398 H GLU 48 HN GLU 48 68.902 1.534 -4.621 399 HA GLU 48 HA GLU 48 66.967 -0.417 -5.225 400 1HB GLU 48 HB2 GLU 48 69.081 -0.014 -3.114 401 2HB GLU 48 HB1 GLU 48 68.067 -1.451 -3.056 402 1HG GLU 48 HG2 GLU 48 69.549 -0.611 -5.551 403 2HG GLU 48 HG1 GLU 48 70.263 -1.681 -4.343 404 H ILE 49 HN ILE 49 67.341 1.808 -2.594 405 HA ILE 49 HA ILE 49 65.254 0.899 -0.849 406 HB ILE 49 HB ILE 49 66.462 3.625 -1.396 407 1HG1 ILE 49 HG12 ILE 49 67.173 1.872 0.915 408 2HG1 ILE 49 HG11 ILE 49 67.831 1.475 -0.669 409 1HG2 ILE 49 HG23 ILE 49 64.259 3.535 -0.095 410 2HG2 ILE 49 HG22 ILE 49 65.162 2.685 1.159 411 3HG2 ILE 49 HG21 ILE 49 65.614 4.329 0.708 412 1HD1 ILE 49 HD11 ILE 49 68.573 3.917 -0.817 413 2HD1 ILE 49 HD13 ILE 49 68.194 4.031 0.902 414 3HD1 ILE 49 HD12 ILE 49 69.441 2.914 0.344 415 H LYS 50 HN LYS 50 65.414 3.282 -3.453 416 HA LYS 50 HA LYS 50 62.791 4.334 -3.370 417 1HB LYS 50 HB2 LYS 50 64.932 4.787 -4.852 418 2HB LYS 50 HB1 LYS 50 64.165 3.649 -5.960 419 1HG LYS 50 HG2 LYS 50 62.031 5.141 -5.551 420 2HG LYS 50 HG1 LYS 50 63.219 6.355 -5.074 421 1HD LYS 50 HD2 LYS 50 63.924 6.668 -7.206 422 2HD LYS 50 HD1 LYS 50 63.916 4.939 -7.554 423 1HE LYS 50 HE2 LYS 50 62.059 5.325 -8.804 424 2HE LYS 50 HE1 LYS 50 61.203 5.617 -7.276 425 1HZ LYS 50 HZ2 LYS 50 62.266 7.919 -7.394 426 2HZ LYS 50 HZ1 LYS 50 62.548 7.576 -9.034 427 3HZ LYS 50 HZ3 LYS 50 60.961 7.609 -8.438 428 H GLU 51 HN GLU 51 64.005 1.296 -4.723 429 HA GLU 51 HA GLU 51 61.691 0.464 -6.166 430 1HB GLU 51 HB2 GLU 51 64.127 -0.466 -5.956 431 2HB GLU 51 HB1 GLU 51 63.480 -1.382 -4.594 432 1HG GLU 51 HG2 GLU 51 61.805 -2.419 -6.013 433 2HG GLU 51 HG1 GLU 51 62.282 -1.409 -7.379 434 H ALA 52 HN ALA 52 62.575 0.162 -2.737 435 HA ALA 52 HA ALA 52 60.703 -1.599 -1.707 436 1HB ALA 52 HB1 ALA 52 62.464 -0.072 -0.589 437 2HB ALA 52 HB3 ALA 52 61.194 1.152 -0.547 438 3HB ALA 52 HB2 ALA 52 60.982 -0.369 0.320 439 H TYR 53 HN TYR 53 60.133 1.639 -2.981 440 HA TYR 53 HA TYR 53 57.459 2.028 -2.061 441 1HB TYR 53 HB2 TYR 53 58.797 2.891 -4.652 442 2HB TYR 53 HB1 TYR 53 57.401 3.664 -3.908 443 HD1 TYR 53 HD2 TYR 53 59.180 2.675 -1.149 444 HD2 TYR 53 HD1 TYR 53 59.491 5.475 -4.397 445 HE1 TYR 53 HE2 TYR 53 60.704 4.069 0.197 446 HE2 TYR 53 HE1 TYR 53 61.005 6.875 -3.027 447 HH TYR 53 HH TYR 53 61.589 7.268 -0.739 448 H GLU 54 HN GLU 54 58.785 0.248 -4.819 449 HA GLU 54 HA GLU 54 56.308 -0.289 -6.163 450 1HB GLU 54 HB2 GLU 54 58.606 -2.240 -5.910 451 2HB GLU 54 HB1 GLU 54 57.576 -1.943 -7.311 452 1HG GLU 54 HG2 GLU 54 58.720 0.535 -6.763 453 2HG GLU 54 HG1 GLU 54 60.032 -0.615 -6.514 454 H VAL 55 HN VAL 55 57.629 -1.281 -3.153 455 HA VAL 55 HA VAL 55 55.836 -3.615 -3.025 456 HB VAL 55 HB VAL 55 58.468 -2.987 -2.160 457 1HG1 VAL 55 HG13 VAL 55 56.493 -3.444 0.077 458 2HG1 VAL 55 HG12 VAL 55 58.184 -3.906 0.229 459 3HG1 VAL 55 HG11 VAL 55 57.754 -2.216 -0.031 460 1HG2 VAL 55 HG21 VAL 55 56.759 -5.234 -2.649 461 2HG2 VAL 55 HG23 VAL 55 58.522 -5.185 -2.606 462 3HG2 VAL 55 HG22 VAL 55 57.611 -5.494 -1.128 463 H LEU 56 HN LEU 56 56.778 -0.865 -0.856 464 HA LEU 56 HA LEU 56 54.262 -1.313 0.600 465 1HB LEU 56 HB2 LEU 56 55.211 -0.080 2.319 466 2HB LEU 56 HB1 LEU 56 56.590 -0.879 1.596 467 HG LEU 56 HG LEU 56 57.185 1.384 2.078 468 1HD1 LEU 56 HD12 LEU 56 56.603 0.945 -0.836 469 2HD1 LEU 56 HD11 LEU 56 57.579 2.281 -0.233 470 3HD1 LEU 56 HD13 LEU 56 58.106 0.620 0.026 471 1HD2 LEU 56 HD22 LEU 56 54.581 2.016 1.874 472 2HD2 LEU 56 HD21 LEU 56 55.864 3.219 1.782 473 3HD2 LEU 56 HD23 LEU 56 55.136 2.598 0.305 474 H THR 57 HN THR 57 55.161 0.882 -1.948 475 HA THR 57 HA THR 57 53.048 2.784 -1.076 476 HB THR 57 HB THR 57 53.847 4.171 -2.883 477 HG1 THR 57 HG1 THR 57 55.801 2.761 -3.928 478 1HG2 THR 57 HG23 THR 57 55.987 2.764 -1.302 479 2HG2 THR 57 HG22 THR 57 56.396 4.067 -2.414 480 3HG2 THR 57 HG21 THR 57 55.316 4.374 -1.055 481 H ASP 58 HN ASP 58 52.327 0.033 -1.790 482 HA ASP 58 HA ASP 58 50.269 0.650 -3.827 483 1HB ASP 58 HB2 ASP 58 52.717 -0.744 -4.363 484 2HB ASP 58 HB1 ASP 58 51.386 -1.899 -4.465 485 H SER 59 HN SER 59 48.475 0.086 -2.879 486 HA SER 59 HA SER 59 48.037 -1.277 -0.597 487 1HB SER 59 HB2 SER 59 46.512 -1.054 -3.160 488 2HB SER 59 HB1 SER 59 45.839 -2.023 -1.852 489 HG SER 59 HG SER 59 46.080 0.690 -2.101 490 H GLN 60 HN GLN 60 48.230 -2.871 -3.790 491 HA GLN 60 HA GLN 60 47.898 -5.546 -2.731 492 1HB GLN 60 HB2 GLN 60 48.330 -6.187 -4.988 493 2HB GLN 60 HB1 GLN 60 47.555 -4.607 -5.110 494 1HG GLN 60 HG2 GLN 60 49.894 -3.599 -5.141 495 2HG GLN 60 HG1 GLN 60 50.505 -5.241 -5.348 496 1HE2 GLN 60 HE22 GLN 60 49.045 -5.576 -8.654 497 2HE2 GLN 60 HE21 GLN 60 49.333 -6.482 -7.247 498 H LYS 61 HN LYS 61 50.662 -3.464 -3.375 499 HA LYS 61 HA LYS 61 52.692 -5.510 -2.918 500 1HB LYS 61 HB2 LYS 61 52.738 -2.487 -3.024 501 2HB LYS 61 HB1 LYS 61 54.151 -3.527 -3.090 502 1HG LYS 61 HG2 LYS 61 51.884 -3.557 -5.082 503 2HG LYS 61 HG1 LYS 61 53.469 -2.831 -5.347 504 1HD LYS 61 HD2 LYS 61 54.424 -5.158 -4.768 505 2HD LYS 61 HD1 LYS 61 52.780 -5.750 -5.011 506 1HE LYS 61 HE2 LYS 61 52.759 -4.931 -7.303 507 2HE LYS 61 HE1 LYS 61 54.337 -4.151 -7.074 508 1HZ LYS 61 HZ1 LYS 61 53.897 -7.040 -6.583 509 2HZ LYS 61 HZ3 LYS 61 54.392 -6.444 -8.092 510 3HZ LYS 61 HZ2 LYS 61 55.377 -6.218 -6.727 511 H ARG 62 HN ARG 62 51.244 -2.915 -0.961 512 HA ARG 62 HA ARG 62 53.003 -3.495 1.309 513 1HB ARG 62 HB2 ARG 62 51.653 -1.742 2.370 514 2HB ARG 62 HB1 ARG 62 52.056 -1.248 0.723 515 1HG ARG 62 HG2 ARG 62 49.895 -1.782 -0.087 516 2HG ARG 62 HG1 ARG 62 49.503 -2.737 1.340 517 1HD ARG 62 HD2 ARG 62 50.116 0.205 1.618 518 2HD ARG 62 HD1 ARG 62 48.488 -0.339 1.169 519 HE ARG 62 HE ARG 62 49.852 -0.915 3.738 520 1HH1 ARG 62 HH21 ARG 62 48.621 -3.411 3.391 521 2HH1 ARG 62 HH22 ARG 62 46.953 -3.177 3.796 522 1HH2 ARG 62 HH11 ARG 62 47.090 0.273 3.490 523 2HH2 ARG 62 HH12 ARG 62 46.086 -1.091 3.854 524 H ALA 63 HN ALA 63 50.048 -4.696 0.065 525 HA ALA 63 HA ALA 63 49.057 -5.714 2.660 526 1HB ALA 63 HB2 ALA 63 48.161 -5.817 -0.232 527 2HB ALA 63 HB1 ALA 63 47.330 -6.731 1.027 528 3HB ALA 63 HB3 ALA 63 47.395 -4.971 1.113 529 H ALA 64 HN ALA 64 50.993 -6.709 -0.022 530 HA ALA 64 HA ALA 64 50.718 -9.581 0.338 531 1HB ALA 64 HB1 ALA 64 52.562 -7.662 -1.087 532 2HB ALA 64 HB3 ALA 64 52.897 -9.393 -1.086 533 3HB ALA 64 HB2 ALA 64 51.398 -8.786 -1.789 534 H TYR 65 HN TYR 65 52.954 -7.056 1.440 535 HA TYR 65 HA TYR 65 54.744 -8.926 2.797 536 1HB TYR 65 HB2 TYR 65 54.593 -6.186 1.968 537 2HB TYR 65 HB1 TYR 65 54.988 -6.228 3.695 538 HD1 TYR 65 HD1 TYR 65 55.849 -8.311 0.685 539 HD2 TYR 65 HD2 TYR 65 57.270 -6.198 4.145 540 HE1 TYR 65 HE1 TYR 65 58.169 -9.011 0.159 541 HE2 TYR 65 HE2 TYR 65 59.590 -6.896 3.616 542 HH TYR 65 HH TYR 65 60.410 -9.315 1.803 543 H ASP 66 HN ASP 66 52.338 -6.497 3.865 544 HA ASP 66 HA ASP 66 52.575 -6.866 6.652 545 1HB ASP 66 HB2 ASP 66 50.604 -5.599 6.723 546 2HB ASP 66 HB1 ASP 66 51.227 -5.208 5.122 547 H GLN 67 HN GLN 67 51.361 -9.069 4.291 548 HA GLN 67 HA GLN 67 49.808 -10.601 6.316 549 1HB GLN 67 HB2 GLN 67 50.103 -10.609 3.309 550 2HB GLN 67 HB1 GLN 67 49.297 -11.935 4.149 551 1HG GLN 67 HG2 GLN 67 48.148 -9.706 5.312 552 2HG GLN 67 HG1 GLN 67 48.351 -9.202 3.633 553 1HE2 GLN 67 HE22 GLN 67 46.414 -12.269 2.605 554 2HE2 GLN 67 HE21 GLN 67 48.023 -11.776 2.378 555 H TYR 68 HN TYR 68 52.961 -10.364 5.363 556 HA TYR 68 HA TYR 68 54.812 -11.829 5.525 557 1HB TYR 68 HB2 TYR 68 52.643 -12.999 7.261 558 2HB TYR 68 HB1 TYR 68 54.232 -13.768 7.162 559 HD1 TYR 68 HD1 TYR 68 52.503 -10.551 7.931 560 HD2 TYR 68 HD2 TYR 68 56.085 -12.883 8.359 561 HE1 TYR 68 HE1 TYR 68 53.389 -8.893 9.546 562 HE2 TYR 68 HE2 TYR 68 56.971 -11.224 9.975 563 HH TYR 68 HH TYR 68 56.182 -9.506 11.464 564 H GLY 69 HN GLY 69 52.853 -12.213 3.294 565 1HA GLY 69 HA2 GLY 69 53.160 -13.787 1.468 566 2HA GLY 69 HA1 GLY 69 53.587 -15.026 2.653 567 H HIS 70 HN HIS 70 51.647 -15.625 0.769 568 HA HIS 70 HA HIS 70 48.977 -15.057 1.789 569 1HB HIS 70 HB2 HIS 70 48.342 -16.642 -0.012 570 2HB HIS 70 HB1 HIS 70 49.517 -15.458 -0.594 571 HD1 HIS 70 HD1 HIS 70 51.706 -16.344 -1.480 572 HD2 HIS 70 HD2 HIS 70 49.570 -19.249 0.614 573 HE1 HIS 70 HE1 HIS 70 52.955 -18.523 -1.803 574 H ALA 71 HN ALA 71 51.365 -16.915 3.071 575 HA ALA 71 HA ALA 71 50.033 -19.414 3.634 576 1HB ALA 71 HB3 ALA 71 52.374 -17.847 4.697 577 2HB ALA 71 HB2 ALA 71 51.844 -19.301 5.543 578 3HB ALA 71 HB1 ALA 71 52.371 -19.400 3.861 579 H ALA 72 HN ALA 72 50.298 -16.312 5.371 580 HA ALA 72 HA ALA 72 49.135 -16.979 7.835 581 1HB ALA 72 HB2 ALA 72 49.800 -14.687 6.320 582 2HB ALA 72 HB1 ALA 72 48.118 -14.470 6.805 583 3HB ALA 72 HB3 ALA 72 49.361 -14.736 8.027 584 H PHE 73 HN PHE 73 47.667 -16.893 4.682 585 HA PHE 73 HA PHE 73 44.985 -17.364 5.948 586 1HB PHE 73 HB2 PHE 73 45.956 -15.507 3.884 587 2HB PHE 73 HB1 PHE 73 44.514 -16.405 3.397 588 HD1 PHE 73 HD1 PHE 73 42.491 -16.404 4.939 589 HD2 PHE 73 HD2 PHE 73 45.828 -13.752 5.475 590 HE1 PHE 73 HE1 PHE 73 41.097 -14.940 6.375 591 HE2 PHE 73 HE2 PHE 73 44.433 -12.288 6.912 592 HZ PHE 73 HZ PHE 73 42.068 -12.882 7.362 593 H GLU 74 HN GLU 74 47.325 -19.102 4.729 594 HA GLU 74 HA GLU 74 47.440 -21.128 3.517 595 1HB GLU 74 HB2 GLU 74 44.423 -20.971 3.793 596 2HB GLU 74 HB1 GLU 74 45.398 -22.431 3.627 597 1HG GLU 74 HG2 GLU 74 45.497 -20.489 5.954 598 2HG GLU 74 HG1 GLU 74 44.763 -22.092 5.978 599 H GLN 75 HN GLN 75 45.584 -22.154 1.610 600 HA GLN 75 HA GLN 75 45.997 -20.195 -0.600 601 1HB GLN 75 HB2 GLN 75 45.516 -23.177 -0.405 602 2HB GLN 75 HB1 GLN 75 45.492 -22.323 -1.948 603 1HG GLN 75 HG2 GLN 75 47.820 -21.745 -0.209 604 2HG GLN 75 HG1 GLN 75 47.747 -23.381 -0.866 605 1HE2 GLN 75 HE22 GLN 75 49.463 -21.654 -3.552 606 2HE2 GLN 75 HE21 GLN 75 49.770 -22.422 -2.070 607 H GLY 76 HN GLY 76 43.737 -20.056 1.399 608 1HA GLY 76 HA2 GLY 76 41.530 -19.198 1.047 609 2HA GLY 76 HA1 GLY 76 41.566 -19.848 -0.593 610 H GLY 77 HN GLY 77 39.667 -20.183 1.824 611 1HA GLY 77 HA2 GLY 77 38.164 -22.202 1.706 612 2HA GLY 77 HA1 GLY 77 39.635 -23.175 1.762 No H/Q in entry = 612 Start of MODEL 10 1 1H ALA 1 HT1 ALA 1 72.636 -11.761 5.334 2 2H ALA 1 HT3 ALA 1 72.214 -12.704 6.679 3 3H ALA 1 HT2 ALA 1 71.486 -13.001 5.173 4 HA ALA 1 HA ALA 1 69.945 -11.813 6.611 5 1HB ALA 1 HB3 ALA 1 72.479 -10.428 7.105 6 2HB ALA 1 HB2 ALA 1 71.139 -9.310 6.854 7 3HB ALA 1 HB1 ALA 1 71.044 -10.527 8.126 8 H LYS 2 HN LYS 2 68.444 -11.233 5.092 9 HA LYS 2 HA LYS 2 69.344 -9.705 2.683 10 1HB LYS 2 HB2 LYS 2 67.817 -12.009 3.075 11 2HB LYS 2 HB1 LYS 2 66.616 -10.766 2.726 12 1HG LYS 2 HG2 LYS 2 68.937 -10.557 0.970 13 2HG LYS 2 HG1 LYS 2 68.153 -12.132 0.843 14 1HD LYS 2 HD2 LYS 2 65.984 -11.044 0.457 15 2HD LYS 2 HD1 LYS 2 66.739 -9.458 0.622 16 1HE LYS 2 HE2 LYS 2 67.851 -9.623 -1.425 17 2HE LYS 2 HE1 LYS 2 67.835 -11.397 -1.405 18 1HZ LYS 2 HZ1 LYS 2 65.189 -10.444 -1.245 19 2HZ LYS 2 HZ3 LYS 2 65.949 -9.691 -2.561 20 3HZ LYS 2 HZ2 LYS 2 65.899 -11.386 -2.466 21 H GLN 3 HN GLN 3 69.249 -7.557 3.540 22 HA GLN 3 HA GLN 3 67.258 -6.445 5.192 23 1HB GLN 3 HB2 GLN 3 69.517 -5.616 3.895 24 2HB GLN 3 HB1 GLN 3 68.273 -4.755 2.987 25 1HG GLN 3 HG2 GLN 3 67.390 -3.768 5.021 26 2HG GLN 3 HG1 GLN 3 68.486 -4.735 6.010 27 1HE2 GLN 3 HE22 GLN 3 70.857 -2.384 3.761 28 2HE2 GLN 3 HE21 GLN 3 70.020 -3.708 3.113 29 H ASP 4 HN ASP 4 65.105 -6.869 4.732 30 HA ASP 4 HA ASP 4 64.037 -6.775 2.012 31 1HB ASP 4 HB2 ASP 4 62.517 -8.087 3.049 32 2HB ASP 4 HB1 ASP 4 63.367 -7.817 4.569 33 H TYR 5 HN TYR 5 62.838 -5.225 1.108 34 HA TYR 5 HA TYR 5 63.229 -2.575 1.259 35 1HB TYR 5 HB2 TYR 5 60.430 -2.715 1.017 36 2HB TYR 5 HB1 TYR 5 61.629 -2.737 -0.273 37 HD1 TYR 5 HD1 TYR 5 59.645 -4.896 1.994 38 HD2 TYR 5 HD2 TYR 5 62.191 -4.693 -1.451 39 HE1 TYR 5 HE1 TYR 5 59.116 -7.263 1.470 40 HE2 TYR 5 HE2 TYR 5 61.658 -7.056 -1.993 41 HH TYR 5 HH TYR 5 60.698 -8.943 -1.233 42 H TYR 6 HN TYR 6 60.572 -3.969 3.277 43 HA TYR 6 HA TYR 6 60.102 -1.590 4.751 44 1HB TYR 6 HB2 TYR 6 59.768 -4.533 5.284 45 2HB TYR 6 HB1 TYR 6 59.308 -3.334 6.500 46 HD1 TYR 6 HD2 TYR 6 58.332 -1.089 4.976 47 HD2 TYR 6 HD1 TYR 6 57.787 -5.288 4.244 48 HE1 TYR 6 HE2 TYR 6 56.256 -0.598 3.722 49 HE2 TYR 6 HE1 TYR 6 55.706 -4.790 2.987 50 HH TYR 6 HH TYR 6 54.855 -2.633 1.660 51 H GLU 7 HN GLU 7 62.612 -3.986 4.924 52 HA GLU 7 HA GLU 7 63.754 -2.871 7.435 53 1HB GLU 7 HB2 GLU 7 63.630 -5.364 6.590 54 2HB GLU 7 HB1 GLU 7 65.003 -4.904 5.584 55 1HG GLU 7 HG2 GLU 7 66.325 -4.323 7.502 56 2HG GLU 7 HG1 GLU 7 64.930 -4.451 8.576 57 H ILE 8 HN ILE 8 64.032 -2.759 3.960 58 HA ILE 8 HA ILE 8 66.639 -1.780 3.578 59 HB ILE 8 HB ILE 8 64.034 -1.322 2.143 60 1HG1 ILE 8 HG12 ILE 8 65.181 -3.635 2.299 61 2HG1 ILE 8 HG11 ILE 8 64.831 -3.054 0.674 62 1HG2 ILE 8 HG21 ILE 8 66.816 -0.358 1.545 63 2HG2 ILE 8 HG23 ILE 8 65.676 -0.686 0.239 64 3HG2 ILE 8 HG22 ILE 8 65.291 0.524 1.464 65 1HD1 ILE 8 HD12 ILE 8 67.493 -2.673 2.053 66 2HD1 ILE 8 HD11 ILE 8 67.138 -4.008 0.956 67 3HD1 ILE 8 HD13 ILE 8 67.108 -2.347 0.363 68 H LEU 9 HN LEU 9 63.600 -0.067 4.161 69 HA LEU 9 HA LEU 9 64.893 2.590 4.317 70 1HB LEU 9 HB2 LEU 9 62.091 1.617 4.927 71 2HB LEU 9 HB1 LEU 9 62.567 3.281 4.586 72 HG LEU 9 HG LEU 9 63.490 1.459 2.531 73 1HD1 LEU 9 HD12 LEU 9 60.903 0.881 3.593 74 2HD1 LEU 9 HD11 LEU 9 60.688 1.623 2.007 75 3HD1 LEU 9 HD13 LEU 9 61.681 0.176 2.176 76 1HD2 LEU 9 HD23 LEU 9 61.676 3.882 2.619 77 2HD2 LEU 9 HD22 LEU 9 63.384 3.850 2.193 78 3HD2 LEU 9 HD21 LEU 9 62.194 3.113 1.120 79 H GLY 10 HN GLY 10 64.865 -0.003 6.343 80 1HA GLY 10 HA2 GLY 10 65.456 -0.161 8.613 81 2HA GLY 10 HA1 GLY 10 65.462 1.601 8.691 82 H VAL 11 HN VAL 11 62.598 0.146 7.394 83 HA VAL 11 HA VAL 11 61.176 0.910 9.921 84 HB VAL 11 HB VAL 11 59.452 0.257 7.709 85 1HG1 VAL 11 HG12 VAL 11 60.110 2.730 9.291 86 2HG1 VAL 11 HG11 VAL 11 58.894 2.728 8.013 87 3HG1 VAL 11 HG13 VAL 11 58.693 1.688 9.423 88 1HG2 VAL 11 HG21 VAL 11 61.837 1.924 7.058 89 2HG2 VAL 11 HG23 VAL 11 60.910 0.824 6.039 90 3HG2 VAL 11 HG22 VAL 11 60.270 2.420 6.430 91 H SER 12 HN SER 12 59.022 -0.408 10.099 92 HA SER 12 HA SER 12 59.742 -3.256 10.300 93 1HB SER 12 HB2 SER 12 57.247 -1.732 11.085 94 2HB SER 12 HB1 SER 12 57.685 -3.352 11.621 95 HG SER 12 HG SER 12 59.253 -2.530 12.862 96 H LYS 13 HN LYS 13 58.509 -4.919 9.217 97 HA LYS 13 HA LYS 13 57.732 -4.408 6.563 98 1HB LYS 13 HB2 LYS 13 56.519 -6.594 6.812 99 2HB LYS 13 HB1 LYS 13 58.194 -6.621 7.364 100 1HG LYS 13 HG2 LYS 13 56.484 -5.784 9.529 101 2HG LYS 13 HG1 LYS 13 55.887 -7.304 8.860 102 1HD LYS 13 HD2 LYS 13 58.825 -7.137 9.204 103 2HD LYS 13 HD1 LYS 13 57.887 -7.164 10.698 104 1HE LYS 13 HE2 LYS 13 57.034 -9.118 8.627 105 2HE LYS 13 HE1 LYS 13 58.607 -9.431 9.389 106 1HZ LYS 13 HZ2 LYS 13 56.154 -8.736 10.910 107 2HZ LYS 13 HZ1 LYS 13 56.662 -10.334 10.643 108 3HZ LYS 13 HZ3 LYS 13 57.638 -9.272 11.538 109 H THR 14 HN THR 14 56.114 -3.751 9.513 110 HA THR 14 HA THR 14 53.502 -3.298 8.162 111 HB THR 14 HB THR 14 52.603 -3.547 10.303 112 HG1 THR 14 HG1 THR 14 53.390 -2.436 11.885 113 1HG2 THR 14 HG23 THR 14 54.058 -5.545 9.655 114 2HG2 THR 14 HG22 THR 14 55.264 -4.907 10.771 115 3HG2 THR 14 HG21 THR 14 53.679 -5.396 11.371 116 H ALA 15 HN ALA 15 56.266 -1.623 8.377 117 HA ALA 15 HA ALA 15 55.845 0.830 9.651 118 1HB ALA 15 HB2 ALA 15 57.208 0.003 7.092 119 2HB ALA 15 HB1 ALA 15 57.427 1.585 7.832 120 3HB ALA 15 HB3 ALA 15 57.918 0.138 8.701 121 H GLU 16 HN GLU 16 56.185 2.341 6.990 122 HA GLU 16 HA GLU 16 53.658 2.367 5.617 123 1HB GLU 16 HB2 GLU 16 53.983 3.787 8.178 124 2HB GLU 16 HB1 GLU 16 53.364 4.809 6.875 125 1HG GLU 16 HG2 GLU 16 51.862 2.600 6.469 126 2HG GLU 16 HG1 GLU 16 52.106 2.475 8.213 127 H GLU 17 HN GLU 17 54.054 3.421 3.723 128 HA GLU 17 HA GLU 17 56.386 4.359 2.704 129 1HB GLU 17 HB2 GLU 17 54.930 5.869 1.284 130 2HB GLU 17 HB1 GLU 17 54.355 4.209 1.411 131 1HG GLU 17 HG2 GLU 17 52.609 4.779 2.856 132 2HG GLU 17 HG1 GLU 17 53.393 6.273 3.371 133 H ARG 18 HN ARG 18 54.371 6.216 4.950 134 HA ARG 18 HA ARG 18 55.512 8.781 4.558 135 1HB ARG 18 HB2 ARG 18 54.655 9.148 6.894 136 2HB ARG 18 HB1 ARG 18 53.481 8.365 5.833 137 1HG ARG 18 HG2 ARG 18 54.648 6.157 6.769 138 2HG ARG 18 HG1 ARG 18 55.027 7.221 8.122 139 1HD ARG 18 HD2 ARG 18 52.244 6.741 6.992 140 2HD ARG 18 HD1 ARG 18 52.867 6.101 8.527 141 HE ARG 18 HE ARG 18 53.355 8.823 8.704 142 1HH1 ARG 18 HH11 ARG 18 50.722 6.637 8.612 143 2HH1 ARG 18 HH12 ARG 18 49.534 7.822 9.040 144 1HH2 ARG 18 HH21 ARG 18 51.781 10.464 9.026 145 2HH2 ARG 18 HH22 ARG 18 50.134 9.989 9.276 146 H GLU 19 HN GLU 19 56.546 6.243 6.818 147 HA GLU 19 HA GLU 19 58.887 7.816 7.619 148 1HB GLU 19 HB2 GLU 19 59.186 5.676 9.042 149 2HB GLU 19 HB1 GLU 19 57.800 6.687 9.412 150 1HG GLU 19 HG2 GLU 19 56.304 5.205 8.308 151 2HG GLU 19 HG1 GLU 19 57.622 4.353 7.500 152 H ILE 20 HN ILE 20 57.919 5.491 5.317 153 HA ILE 20 HA ILE 20 60.568 4.258 4.952 154 HB ILE 20 HB ILE 20 57.798 3.941 4.046 155 1HG1 ILE 20 HG12 ILE 20 59.103 1.638 3.419 156 2HG1 ILE 20 HG11 ILE 20 60.214 2.327 4.598 157 1HG2 ILE 20 HG22 ILE 20 59.960 4.107 1.984 158 2HG2 ILE 20 HG21 ILE 20 58.773 2.823 1.833 159 3HG2 ILE 20 HG23 ILE 20 58.247 4.501 1.848 160 1HD1 ILE 20 HD11 ILE 20 58.255 2.656 6.143 161 2HD1 ILE 20 HD13 ILE 20 57.263 1.766 4.986 162 3HD1 ILE 20 HD12 ILE 20 58.612 0.964 5.792 163 H ARG 21 HN ARG 21 58.429 6.517 3.206 164 HA ARG 21 HA ARG 21 60.262 7.296 1.161 165 1HB ARG 21 HB2 ARG 21 58.784 9.285 1.047 166 2HB ARG 21 HB1 ARG 21 57.810 7.840 1.310 167 1HG ARG 21 HG2 ARG 21 56.933 9.306 2.903 168 2HG ARG 21 HG1 ARG 21 58.120 8.409 3.843 169 1HD ARG 21 HD2 ARG 21 58.959 10.455 4.415 170 2HD ARG 21 HD1 ARG 21 59.613 10.502 2.768 171 HE ARG 21 HE ARG 21 57.539 11.653 2.055 172 1HH1 ARG 21 HH21 ARG 21 57.323 10.791 5.327 173 2HH1 ARG 21 HH22 ARG 21 56.614 12.285 5.840 174 1HH2 ARG 21 HH11 ARG 21 56.971 13.820 2.748 175 2HH2 ARG 21 HH12 ARG 21 56.414 14.002 4.378 176 H LYS 22 HN LYS 22 59.811 8.140 4.490 177 HA LYS 22 HA LYS 22 61.693 10.342 4.619 178 1HB LYS 22 HB2 LYS 22 59.586 9.621 6.045 179 2HB LYS 22 HB1 LYS 22 60.755 8.635 6.924 180 1HG LYS 22 HG2 LYS 22 61.131 11.601 6.410 181 2HG LYS 22 HG1 LYS 22 60.404 10.955 7.882 182 1HD LYS 22 HD2 LYS 22 63.141 10.139 6.882 183 2HD LYS 22 HD1 LYS 22 62.881 11.418 8.056 184 1HE LYS 22 HE2 LYS 22 62.554 9.928 9.737 185 2HE LYS 22 HE1 LYS 22 61.417 8.983 8.757 186 1HZ LYS 22 HZ3 LYS 22 63.696 8.495 7.478 187 2HZ LYS 22 HZ2 LYS 22 64.293 8.679 9.057 188 3HZ LYS 22 HZ1 LYS 22 63.107 7.510 8.726 189 H ALA 23 HN ALA 23 61.709 6.943 5.707 190 HA ALA 23 HA ALA 23 64.183 6.708 6.923 191 1HB ALA 23 HB1 ALA 23 62.347 5.015 5.347 192 2HB ALA 23 HB3 ALA 23 63.999 4.404 5.452 193 3HB ALA 23 HB2 ALA 23 63.076 4.714 6.923 194 H TYR 24 HN TYR 24 63.539 6.468 3.420 195 HA TYR 24 HA TYR 24 66.326 6.232 2.674 196 1HB TYR 24 HB2 TYR 24 64.224 5.526 1.409 197 2HB TYR 24 HB1 TYR 24 63.938 7.229 1.069 198 HD1 TYR 24 HD1 TYR 24 67.186 5.371 1.195 199 HD2 TYR 24 HD2 TYR 24 64.337 7.481 -1.231 200 HE1 TYR 24 HE1 TYR 24 68.756 5.290 -0.724 201 HE2 TYR 24 HE2 TYR 24 65.906 7.398 -3.149 202 HH TYR 24 HH TYR 24 68.833 7.094 -3.114 203 H LYS 25 HN LYS 25 63.925 8.797 2.834 204 HA LYS 25 HA LYS 25 65.325 11.025 1.860 205 1HB LYS 25 HB2 LYS 25 63.013 10.316 3.352 206 2HB LYS 25 HB1 LYS 25 63.797 11.635 4.213 207 1HG LYS 25 HG2 LYS 25 62.901 13.061 2.716 208 2HG LYS 25 HG1 LYS 25 63.917 12.320 1.477 209 1HD LYS 25 HD2 LYS 25 62.195 10.631 1.040 210 2HD LYS 25 HD1 LYS 25 61.184 11.312 2.316 211 1HE LYS 25 HE2 LYS 25 60.264 12.454 0.528 212 2HE LYS 25 HE1 LYS 25 61.630 13.548 0.831 213 1HZ LYS 25 HZ2 LYS 25 62.117 11.146 -0.768 214 2HZ LYS 25 HZ1 LYS 25 61.286 12.426 -1.513 215 3HZ LYS 25 HZ3 LYS 25 62.838 12.680 -0.876 216 H ARG 26 HN ARG 26 65.592 9.361 4.961 217 HA ARG 26 HA ARG 26 67.185 11.450 6.230 218 1HB ARG 26 HB2 ARG 26 66.055 8.774 6.824 219 2HB ARG 26 HB1 ARG 26 67.487 9.224 7.750 220 1HG ARG 26 HG2 ARG 26 65.864 11.524 7.711 221 2HG ARG 26 HG1 ARG 26 64.771 10.177 8.031 222 1HD ARG 26 HD2 ARG 26 65.816 11.174 10.118 223 2HD ARG 26 HD1 ARG 26 66.145 9.442 9.911 224 HE ARG 26 HE ARG 26 68.100 11.375 8.779 225 1HH1 ARG 26 HH11 ARG 26 68.750 8.483 8.960 226 2HH1 ARG 26 HH12 ARG 26 69.688 8.396 10.413 227 1HH2 ARG 26 HH21 ARG 26 68.650 11.488 11.589 228 2HH2 ARG 26 HH22 ARG 26 69.626 10.093 11.904 229 H LEU 27 HN LEU 27 67.879 8.136 5.065 230 HA LEU 27 HA LEU 27 70.757 8.425 5.464 231 1HB LEU 27 HB2 LEU 27 70.780 6.150 4.834 232 2HB LEU 27 HB1 LEU 27 69.198 6.347 5.587 233 HG LEU 27 HG LEU 27 68.518 6.957 3.076 234 1HD1 LEU 27 HD13 LEU 27 71.049 6.489 2.525 235 2HD1 LEU 27 HD12 LEU 27 70.544 4.799 2.572 236 3HD1 LEU 27 HD11 LEU 27 69.795 5.913 1.426 237 1HD2 LEU 27 HD22 LEU 27 67.698 5.099 4.633 238 2HD2 LEU 27 HD21 LEU 27 67.629 4.744 2.907 239 3HD2 LEU 27 HD23 LEU 27 68.927 4.074 3.893 240 H ALA 28 HN ALA 28 68.481 8.730 2.813 241 HA ALA 28 HA ALA 28 70.449 8.696 0.702 242 1HB ALA 28 HB1 ALA 28 67.965 8.174 0.639 243 2HB ALA 28 HB3 ALA 28 67.675 9.909 0.770 244 3HB ALA 28 HB2 ALA 28 68.520 9.259 -0.636 245 H MET 29 HN MET 29 68.883 11.257 2.614 246 HA MET 29 HA MET 29 70.016 13.437 1.095 247 1HB MET 29 HB2 MET 29 69.362 14.753 3.058 248 2HB MET 29 HB1 MET 29 68.104 13.560 2.732 249 1HG MET 29 HG2 MET 29 68.764 12.193 4.533 250 2HG MET 29 HG1 MET 29 70.353 12.947 4.642 251 1HE MET 29 HE1 MET 29 70.899 15.057 5.234 252 2HE MET 29 HE3 MET 29 69.693 16.233 4.693 253 3HE MET 29 HE2 MET 29 70.082 16.090 6.405 254 H LYS 30 HN LYS 30 71.165 11.284 3.590 255 HA LYS 30 HA LYS 30 73.628 12.855 4.057 256 1HB LYS 30 HB2 LYS 30 72.138 10.604 5.256 257 2HB LYS 30 HB1 LYS 30 73.893 10.456 5.360 258 1HG LYS 30 HG2 LYS 30 74.019 12.079 6.924 259 2HG LYS 30 HG1 LYS 30 73.022 13.168 5.961 260 1HD LYS 30 HD2 LYS 30 71.456 12.869 7.572 261 2HD LYS 30 HD1 LYS 30 71.184 11.302 6.812 262 1HE LYS 30 HE2 LYS 30 73.358 11.624 8.882 263 2HE LYS 30 HE1 LYS 30 71.677 11.320 9.366 264 1HZ LYS 30 HZ2 LYS 30 71.624 9.439 7.831 265 2HZ LYS 30 HZ1 LYS 30 73.258 9.698 7.442 266 3HZ LYS 30 HZ3 LYS 30 72.827 9.231 9.014 267 H TYR 31 HN TYR 31 72.512 10.347 1.955 268 HA TYR 31 HA TYR 31 75.318 9.482 1.415 269 1HB TYR 31 HB2 TYR 31 72.646 8.243 1.349 270 2HB TYR 31 HB1 TYR 31 73.661 7.833 -0.037 271 HD1 TYR 31 HD2 TYR 31 75.158 8.760 3.180 272 HD2 TYR 31 HD1 TYR 31 73.914 5.488 0.692 273 HE1 TYR 31 HE2 TYR 31 76.455 7.195 4.593 274 HE2 TYR 31 HE1 TYR 31 75.213 3.922 2.103 275 HH TYR 31 HH TYR 31 76.150 3.758 4.283 276 H HIS 32 HN HIS 32 73.261 11.729 0.388 277 HA HIS 32 HA HIS 32 73.160 11.623 -2.437 278 1HB HIS 32 HB2 HIS 32 72.682 14.014 -2.067 279 2HB HIS 32 HB1 HIS 32 71.945 13.049 -0.807 280 HD1 HIS 32 HD1 HIS 32 73.040 16.083 -0.535 281 HD2 HIS 32 HD2 HIS 32 74.832 12.627 0.955 282 HE1 HIS 32 HE1 HIS 32 74.525 16.821 1.378 283 HA PRO 33 HA PRO 33 77.110 12.938 -3.824 284 1HB PRO 33 HB2 PRO 33 77.536 15.644 -3.988 285 2HB PRO 33 HB1 PRO 33 76.559 14.725 -5.151 286 1HG PRO 33 HG2 PRO 33 75.688 16.417 -2.876 287 2HG PRO 33 HG1 PRO 33 74.959 16.206 -4.474 288 1HD PRO 33 HD2 PRO 33 74.038 15.061 -2.216 289 2HD PRO 33 HD1 PRO 33 73.785 14.375 -3.834 290 H ASP 34 HN ASP 34 77.105 12.296 -1.211 291 HA ASP 34 HA ASP 34 79.092 14.106 0.112 292 1HB ASP 34 HB2 ASP 34 77.738 13.775 1.917 293 2HB ASP 34 HB1 ASP 34 76.693 12.753 0.940 294 H ARG 35 HN ARG 35 78.265 10.755 -0.673 295 HA ARG 35 HA ARG 35 81.157 10.064 -0.817 296 1HB ARG 35 HB2 ARG 35 80.631 8.036 0.545 297 2HB ARG 35 HB1 ARG 35 80.340 9.530 1.441 298 1HG ARG 35 HG2 ARG 35 78.386 8.266 1.841 299 2HG ARG 35 HG1 ARG 35 77.915 9.355 0.537 300 1HD ARG 35 HD2 ARG 35 77.416 7.582 -0.753 301 2HD ARG 35 HD1 ARG 35 79.096 7.024 -0.634 302 HE ARG 35 HE ARG 35 76.889 6.225 1.205 303 1HH1 ARG 35 HH11 ARG 35 80.077 6.671 1.746 304 2HH1 ARG 35 HH12 ARG 35 80.501 5.006 1.967 305 1HH2 ARG 35 HH21 ARG 35 77.461 3.803 0.812 306 2HH2 ARG 35 HH22 ARG 35 79.021 3.382 1.434 307 H ASN 36 HN ASN 36 77.777 9.435 -1.677 308 HA ASN 36 HA ASN 36 77.919 7.036 -3.082 309 1HB ASN 36 HB2 ASN 36 76.402 9.599 -3.260 310 2HB ASN 36 HB1 ASN 36 76.240 8.473 -4.606 311 1HD2 ASN 36 HD22 ASN 36 73.614 7.407 -2.273 312 2HD2 ASN 36 HD21 ASN 36 73.903 8.670 -3.369 313 H GLN 37 HN GLN 37 79.426 10.069 -3.861 314 HA GLN 37 HA GLN 37 79.844 9.475 -6.697 315 1HB GLN 37 HB2 GLN 37 81.188 11.472 -4.846 316 2HB GLN 37 HB1 GLN 37 81.102 11.561 -6.605 317 1HG GLN 37 HG2 GLN 37 78.564 11.394 -5.005 318 2HG GLN 37 HG1 GLN 37 79.397 12.941 -5.161 319 1HE2 GLN 37 HE22 GLN 37 78.086 13.482 -8.371 320 2HE2 GLN 37 HE21 GLN 37 78.694 14.135 -6.926 321 H GLY 38 HN GLY 38 81.044 8.011 -4.015 322 1HA GLY 38 HA2 GLY 38 83.690 7.532 -5.333 323 2HA GLY 38 HA1 GLY 38 83.566 7.732 -3.587 324 H ASP 39 HN ASP 39 80.966 6.051 -5.144 325 HA ASP 39 HA ASP 39 82.064 3.387 -5.063 326 1HB ASP 39 HB2 ASP 39 81.538 4.619 -2.574 327 2HB ASP 39 HB1 ASP 39 80.241 3.449 -2.816 328 H LYS 40 HN LYS 40 80.770 2.634 -6.715 329 HA LYS 40 HA LYS 40 77.938 3.414 -6.866 330 1HB LYS 40 HB2 LYS 40 79.702 1.639 -8.584 331 2HB LYS 40 HB1 LYS 40 78.080 2.172 -9.022 332 1HG LYS 40 HG2 LYS 40 79.308 4.549 -8.375 333 2HG LYS 40 HG1 LYS 40 80.625 3.643 -9.122 334 1HD LYS 40 HD2 LYS 40 78.138 3.315 -10.597 335 2HD LYS 40 HD1 LYS 40 78.591 5.015 -10.467 336 1HE LYS 40 HE2 LYS 40 80.428 4.752 -11.808 337 2HE LYS 40 HE1 LYS 40 80.821 3.166 -11.114 338 1HZ LYS 40 HZ2 LYS 40 78.572 2.515 -12.237 339 2HZ LYS 40 HZ1 LYS 40 78.916 3.837 -13.247 340 3HZ LYS 40 HZ3 LYS 40 80.005 2.540 -13.149 341 H GLU 41 HN GLU 41 79.915 0.742 -5.987 342 HA GLU 41 HA GLU 41 78.339 -1.521 -5.999 343 1HB GLU 41 HB2 GLU 41 79.503 -1.893 -3.728 344 2HB GLU 41 HB1 GLU 41 80.562 -1.478 -5.081 345 1HG GLU 41 HG2 GLU 41 80.689 0.823 -4.394 346 2HG GLU 41 HG1 GLU 41 79.396 0.607 -3.217 347 H ALA 42 HN ALA 42 77.951 1.378 -4.026 348 HA ALA 42 HA ALA 42 75.855 0.171 -2.325 349 1HB ALA 42 HB1 ALA 42 77.619 1.815 -1.571 350 2HB ALA 42 HB3 ALA 42 76.827 3.034 -2.569 351 3HB ALA 42 HB2 ALA 42 75.970 2.321 -1.204 352 H GLU 43 HN GLU 43 76.084 1.870 -5.308 353 HA GLU 43 HA GLU 43 73.869 3.468 -5.630 354 1HB GLU 43 HB2 GLU 43 75.481 2.569 -7.379 355 2HB GLU 43 HB1 GLU 43 74.471 1.123 -7.439 356 1HG GLU 43 HG2 GLU 43 73.063 2.164 -8.838 357 2HG GLU 43 HG1 GLU 43 72.739 3.376 -7.598 358 H ALA 44 HN ALA 44 73.829 -0.085 -5.683 359 HA ALA 44 HA ALA 44 71.109 -0.372 -6.235 360 1HB ALA 44 HB2 ALA 44 73.321 -1.977 -5.116 361 2HB ALA 44 HB1 ALA 44 71.711 -2.566 -4.705 362 3HB ALA 44 HB3 ALA 44 72.180 -2.388 -6.396 363 H LYS 45 HN LYS 45 72.605 -0.657 -2.975 364 HA LYS 45 HA LYS 45 70.278 -0.830 -1.453 365 1HB LYS 45 HB2 LYS 45 72.481 -0.930 -0.461 366 2HB LYS 45 HB1 LYS 45 72.838 0.726 -0.970 367 1HG LYS 45 HG2 LYS 45 71.026 1.570 0.479 368 2HG LYS 45 HG1 LYS 45 70.644 -0.079 0.975 369 1HD LYS 45 HD2 LYS 45 73.451 0.944 1.306 370 2HD LYS 45 HD1 LYS 45 72.219 1.397 2.485 371 1HE LYS 45 HE2 LYS 45 72.487 -0.616 3.488 372 2HE LYS 45 HE1 LYS 45 71.950 -1.409 1.994 373 1HZ LYS 45 HZ2 LYS 45 74.332 -0.787 1.201 374 2HZ LYS 45 HZ1 LYS 45 74.681 -0.747 2.863 375 3HZ LYS 45 HZ3 LYS 45 74.099 -2.174 2.155 376 H PHE 46 HN PHE 46 71.597 1.985 -3.123 377 HA PHE 46 HA PHE 46 69.950 3.976 -1.860 378 1HB PHE 46 HB2 PHE 46 71.088 3.928 -4.671 379 2HB PHE 46 HB1 PHE 46 70.673 5.354 -3.727 380 HD1 PHE 46 HD2 PHE 46 71.811 3.465 -1.203 381 HD2 PHE 46 HD1 PHE 46 73.346 5.230 -4.808 382 HE1 PHE 46 HE2 PHE 46 74.090 3.490 -0.222 383 HE2 PHE 46 HE1 PHE 46 75.622 5.255 -3.824 384 HZ PHE 46 HZ PHE 46 75.993 4.384 -1.533 385 H LYS 47 HN LYS 47 69.525 2.113 -4.927 386 HA LYS 47 HA LYS 47 66.798 3.254 -5.149 387 1HB LYS 47 HB2 LYS 47 67.047 2.692 -7.355 388 2HB LYS 47 HB1 LYS 47 68.739 2.445 -6.941 389 1HG LYS 47 HG2 LYS 47 66.669 0.246 -6.721 390 2HG LYS 47 HG1 LYS 47 67.618 0.528 -8.180 391 1HD LYS 47 HD2 LYS 47 69.520 0.557 -6.161 392 2HD LYS 47 HD1 LYS 47 68.419 -0.730 -5.671 393 1HE LYS 47 HE2 LYS 47 70.091 -1.728 -7.125 394 2HE LYS 47 HE1 LYS 47 68.581 -1.635 -8.050 395 1HZ LYS 47 HZ2 LYS 47 70.522 0.594 -8.047 396 2HZ LYS 47 HZ1 LYS 47 70.680 -0.699 -9.137 397 3HZ LYS 47 HZ3 LYS 47 69.287 0.268 -9.166 398 H GLU 48 HN GLU 48 68.415 0.345 -4.082 399 HA GLU 48 HA GLU 48 66.362 -1.582 -4.044 400 1HB GLU 48 HB2 GLU 48 68.582 -0.753 -2.169 401 2HB GLU 48 HB1 GLU 48 67.509 -2.076 -1.724 402 1HG GLU 48 HG2 GLU 48 68.951 -1.981 -4.376 403 2HG GLU 48 HG1 GLU 48 69.654 -2.735 -2.944 404 H ILE 49 HN ILE 49 67.009 1.233 -2.130 405 HA ILE 49 HA ILE 49 64.785 0.936 -0.259 406 HB ILE 49 HB ILE 49 66.580 3.216 -1.080 407 1HG1 ILE 49 HG12 ILE 49 66.732 1.692 1.501 408 2HG1 ILE 49 HG11 ILE 49 67.481 1.031 0.047 409 1HG2 ILE 49 HG23 ILE 49 64.467 2.943 1.012 410 2HG2 ILE 49 HG22 ILE 49 65.845 4.008 1.292 411 3HG2 ILE 49 HG21 ILE 49 64.777 4.285 -0.084 412 1HD1 ILE 49 HD12 ILE 49 68.490 3.470 -0.151 413 2HD1 ILE 49 HD11 ILE 49 68.186 3.504 1.585 414 3HD1 ILE 49 HD13 ILE 49 69.247 2.273 0.901 415 H LYS 50 HN LYS 50 65.566 3.031 -3.010 416 HA LYS 50 HA LYS 50 63.077 4.425 -3.156 417 1HB LYS 50 HB2 LYS 50 65.277 4.951 -4.292 418 2HB LYS 50 HB1 LYS 50 64.953 3.630 -5.413 419 1HG LYS 50 HG2 LYS 50 63.106 4.727 -6.370 420 2HG LYS 50 HG1 LYS 50 62.917 5.811 -4.992 421 1HD LYS 50 HD2 LYS 50 64.610 7.216 -5.685 422 2HD LYS 50 HD1 LYS 50 65.494 5.922 -6.496 423 1HE LYS 50 HE2 LYS 50 63.709 5.868 -8.261 424 2HE LYS 50 HE1 LYS 50 62.962 7.280 -7.486 425 1HZ LYS 50 HZ2 LYS 50 65.547 8.000 -7.588 426 2HZ LYS 50 HZ1 LYS 50 65.407 7.106 -9.027 427 3HZ LYS 50 HZ3 LYS 50 64.392 8.437 -8.756 428 H GLU 51 HN GLU 51 63.896 1.167 -3.819 429 HA GLU 51 HA GLU 51 61.787 0.636 -5.794 430 1HB GLU 51 HB2 GLU 51 64.092 -0.477 -5.458 431 2HB GLU 51 HB1 GLU 51 63.353 -1.300 -4.085 432 1HG GLU 51 HG2 GLU 51 63.064 -2.805 -5.899 433 2HG GLU 51 HG1 GLU 51 61.499 -2.007 -5.735 434 H ALA 52 HN ALA 52 62.411 0.064 -2.341 435 HA ALA 52 HA ALA 52 60.325 -1.499 -1.457 436 1HB ALA 52 HB2 ALA 52 62.176 0.000 -0.300 437 2HB ALA 52 HB1 ALA 52 60.848 1.148 -0.135 438 3HB ALA 52 HB3 ALA 52 60.726 -0.453 0.595 439 H TYR 53 HN TYR 53 60.107 1.891 -2.519 440 HA TYR 53 HA TYR 53 57.395 2.355 -1.764 441 1HB TYR 53 HB2 TYR 53 59.024 3.478 -4.063 442 2HB TYR 53 HB1 TYR 53 57.597 4.231 -3.342 443 HD1 TYR 53 HD1 TYR 53 57.640 4.919 -0.933 444 HD2 TYR 53 HD2 TYR 53 61.140 3.621 -3.015 445 HE1 TYR 53 HE1 TYR 53 59.050 5.867 0.851 446 HE2 TYR 53 HE2 TYR 53 62.569 4.568 -1.250 447 HH TYR 53 HH TYR 53 62.425 6.294 0.506 448 H GLU 54 HN GLU 54 58.838 0.871 -4.640 449 HA GLU 54 HA GLU 54 56.607 0.759 -6.355 450 1HB GLU 54 HB2 GLU 54 58.419 -1.596 -5.747 451 2HB GLU 54 HB1 GLU 54 57.680 -1.174 -7.293 452 1HG GLU 54 HG2 GLU 54 59.176 1.072 -6.431 453 2HG GLU 54 HG1 GLU 54 60.204 -0.348 -6.245 454 H VAL 55 HN VAL 55 57.162 -0.697 -3.240 455 HA VAL 55 HA VAL 55 54.650 -2.197 -3.611 456 HB VAL 55 HB VAL 55 56.172 -3.879 -3.200 457 1HG1 VAL 55 HG11 VAL 55 58.056 -2.219 -2.942 458 2HG1 VAL 55 HG13 VAL 55 57.707 -2.244 -1.216 459 3HG1 VAL 55 HG12 VAL 55 58.195 -3.718 -2.035 460 1HG2 VAL 55 HG23 VAL 55 54.808 -3.065 -0.772 461 2HG2 VAL 55 HG22 VAL 55 55.165 -4.678 -1.358 462 3HG2 VAL 55 HG21 VAL 55 56.357 -3.807 -0.398 463 H LEU 56 HN LEU 56 56.338 -1.343 -0.583 464 HA LEU 56 HA LEU 56 54.242 -0.990 1.094 465 1HB LEU 56 HB2 LEU 56 55.628 0.636 2.294 466 2HB LEU 56 HB1 LEU 56 56.628 -0.660 1.628 467 HG LEU 56 HG LEU 56 56.533 1.198 -0.429 468 1HD1 LEU 56 HD11 LEU 56 56.713 2.572 2.266 469 2HD1 LEU 56 HD13 LEU 56 57.235 3.310 0.752 470 3HD1 LEU 56 HD12 LEU 56 55.542 2.886 0.987 471 1HD2 LEU 56 HD22 LEU 56 58.464 -0.152 0.429 472 2HD2 LEU 56 HD21 LEU 56 58.884 1.535 0.129 473 3HD2 LEU 56 HD23 LEU 56 58.603 0.972 1.775 474 H THR 57 HN THR 57 54.986 1.291 -1.520 475 HA THR 57 HA THR 57 52.892 3.141 -0.519 476 HB THR 57 HB THR 57 53.700 4.615 -2.217 477 HG1 THR 57 HG1 THR 57 55.431 3.332 -3.621 478 1HG2 THR 57 HG22 THR 57 55.875 2.942 -0.979 479 2HG2 THR 57 HG21 THR 57 56.275 4.293 -2.034 480 3HG2 THR 57 HG23 THR 57 55.363 4.571 -0.551 481 H ASP 58 HN ASP 58 52.106 0.444 -1.237 482 HA ASP 58 HA ASP 58 50.028 1.055 -3.252 483 1HB ASP 58 HB2 ASP 58 52.452 -0.395 -3.768 484 2HB ASP 58 HB1 ASP 58 51.099 -1.524 -3.845 485 H SER 59 HN SER 59 48.218 0.456 -2.331 486 HA SER 59 HA SER 59 47.848 -0.862 0.010 487 1HB SER 59 HB2 SER 59 46.137 0.267 -1.426 488 2HB SER 59 HB1 SER 59 46.114 -1.163 -2.453 489 HG SER 59 HG SER 59 44.484 -1.039 -0.728 490 H GLN 60 HN GLN 60 48.023 -2.465 -3.173 491 HA GLN 60 HA GLN 60 47.622 -5.141 -2.223 492 1HB GLN 60 HB2 GLN 60 47.393 -4.867 -4.523 493 2HB GLN 60 HB1 GLN 60 48.756 -3.755 -4.626 494 1HG GLN 60 HG2 GLN 60 49.239 -5.964 -5.680 495 2HG GLN 60 HG1 GLN 60 50.331 -5.597 -4.345 496 1HE2 GLN 60 HE22 GLN 60 49.500 -8.875 -3.231 497 2HE2 GLN 60 HE21 GLN 60 50.692 -7.918 -3.972 498 H LYS 61 HN LYS 61 50.683 -3.674 -3.317 499 HA LYS 61 HA LYS 61 52.473 -5.594 -2.228 500 1HB LYS 61 HB2 LYS 61 52.438 -3.027 -3.499 501 2HB LYS 61 HB1 LYS 61 53.625 -3.047 -2.204 502 1HG LYS 61 HG2 LYS 61 54.535 -3.838 -4.416 503 2HG LYS 61 HG1 LYS 61 54.699 -5.013 -3.113 504 1HD LYS 61 HD2 LYS 61 53.117 -6.431 -4.000 505 2HD LYS 61 HD1 LYS 61 52.199 -5.116 -4.737 506 1HE LYS 61 HE2 LYS 61 53.203 -6.221 -6.591 507 2HE LYS 61 HE1 LYS 61 54.283 -4.844 -6.295 508 1HZ LYS 61 HZ1 LYS 61 54.798 -7.193 -4.679 509 2HZ LYS 61 HZ3 LYS 61 55.106 -7.394 -6.335 510 3HZ LYS 61 HZ2 LYS 61 55.889 -6.159 -5.470 511 H ARG 62 HN ARG 62 51.487 -2.434 -0.792 512 HA ARG 62 HA ARG 62 52.989 -2.704 1.572 513 1HB ARG 62 HB2 ARG 62 51.570 -0.984 2.413 514 2HB ARG 62 HB1 ARG 62 51.563 -0.753 0.665 515 1HG ARG 62 HG2 ARG 62 49.431 -1.816 0.442 516 2HG ARG 62 HG1 ARG 62 49.478 -2.407 2.099 517 1HD ARG 62 HD2 ARG 62 48.010 -0.374 1.804 518 2HD ARG 62 HD1 ARG 62 49.332 -0.116 2.960 519 HE ARG 62 HE ARG 62 49.723 0.620 0.094 520 1HH1 ARG 62 HH21 ARG 62 51.494 1.063 2.673 521 2HH1 ARG 62 HH22 ARG 62 51.324 2.780 2.832 522 1HH2 ARG 62 HH11 ARG 62 48.656 2.987 0.627 523 2HH2 ARG 62 HH12 ARG 62 49.718 3.870 1.672 524 H ALA 63 HN ALA 63 50.013 -4.189 0.603 525 HA ALA 63 HA ALA 63 49.564 -5.418 3.263 526 1HB ALA 63 HB3 ALA 63 47.689 -4.518 1.900 527 2HB ALA 63 HB2 ALA 63 48.106 -5.640 0.604 528 3HB ALA 63 HB1 ALA 63 47.517 -6.255 2.149 529 H ALA 64 HN ALA 64 50.993 -6.043 0.191 530 HA ALA 64 HA ALA 64 51.000 -8.981 0.509 531 1HB ALA 64 HB3 ALA 64 50.759 -7.508 -1.642 532 2HB ALA 64 HB2 ALA 64 52.515 -7.370 -1.538 533 3HB ALA 64 HB1 ALA 64 51.765 -8.955 -1.720 534 H TYR 65 HN TYR 65 53.470 -6.379 0.221 535 HA TYR 65 HA TYR 65 55.671 -8.097 0.905 536 1HB TYR 65 HB2 TYR 65 55.037 -5.232 0.514 537 2HB TYR 65 HB1 TYR 65 56.485 -5.570 1.479 538 HD1 TYR 65 HD2 TYR 65 55.140 -7.794 -1.157 539 HD2 TYR 65 HD1 TYR 65 58.157 -4.911 -0.143 540 HE1 TYR 65 HE2 TYR 65 56.395 -8.390 -3.209 541 HE2 TYR 65 HE1 TYR 65 59.414 -5.508 -2.195 542 HH TYR 65 HH TYR 65 58.533 -6.637 -4.630 543 H ASP 66 HN ASP 66 53.235 -6.562 2.856 544 HA ASP 66 HA ASP 66 54.735 -6.267 5.295 545 1HB ASP 66 HB2 ASP 66 52.521 -6.079 6.294 546 2HB ASP 66 HB1 ASP 66 52.502 -5.265 4.732 547 H GLN 67 HN GLN 67 53.592 -9.036 3.595 548 HA GLN 67 HA GLN 67 54.262 -10.755 5.958 549 1HB GLN 67 HB2 GLN 67 51.882 -10.752 4.105 550 2HB GLN 67 HB1 GLN 67 52.365 -12.234 4.931 551 1HG GLN 67 HG2 GLN 67 52.289 -9.898 6.706 552 2HG GLN 67 HG1 GLN 67 50.722 -10.283 5.997 553 1HE2 GLN 67 HE22 GLN 67 52.503 -13.283 8.191 554 2HE2 GLN 67 HE21 GLN 67 53.475 -12.299 7.207 555 H TYR 68 HN TYR 68 55.416 -9.854 3.131 556 HA TYR 68 HA TYR 68 56.771 -10.868 1.482 557 1HB TYR 68 HB2 TYR 68 56.739 -12.907 3.723 558 2HB TYR 68 HB1 TYR 68 57.790 -13.049 2.310 559 HD1 TYR 68 HD2 TYR 68 59.316 -11.036 1.758 560 HD2 TYR 68 HD1 TYR 68 57.387 -11.581 5.557 561 HE1 TYR 68 HE2 TYR 68 60.944 -9.486 2.806 562 HE2 TYR 68 HE1 TYR 68 59.016 -10.032 6.606 563 HH TYR 68 HH TYR 68 61.784 -9.292 5.563 564 H GLY 69 HN GLY 69 53.763 -11.401 1.576 565 1HA GLY 69 HA2 GLY 69 52.548 -12.487 -0.227 566 2HA GLY 69 HA1 GLY 69 53.814 -13.717 -0.293 567 H HIS 70 HN HIS 70 51.126 -14.484 -0.094 568 HA HIS 70 HA HIS 70 50.319 -14.922 2.646 569 1HB HIS 70 HB2 HIS 70 48.529 -16.109 1.636 570 2HB HIS 70 HB1 HIS 70 48.971 -14.898 0.429 571 HD1 HIS 70 HD1 HIS 70 49.280 -15.832 -1.859 572 HD2 HIS 70 HD2 HIS 70 50.080 -18.688 1.071 573 HE1 HIS 70 HE1 HIS 70 49.827 -17.981 -3.084 574 H ALA 71 HN ALA 71 52.792 -16.288 0.800 575 HA ALA 71 HA ALA 71 52.736 -19.047 1.483 576 1HB ALA 71 HB3 ALA 71 55.061 -17.123 1.133 577 2HB ALA 71 HB2 ALA 71 55.172 -18.880 1.028 578 3HB ALA 71 HB1 ALA 71 54.234 -17.983 -0.167 579 H ALA 72 HN ALA 72 54.061 -16.244 3.252 580 HA ALA 72 HA ALA 72 55.307 -17.640 5.390 581 1HB ALA 72 HB3 ALA 72 55.229 -15.124 4.670 582 2HB ALA 72 HB2 ALA 72 53.817 -15.041 5.722 583 3HB ALA 72 HB1 ALA 72 55.384 -15.506 6.384 584 H PHE 73 HN PHE 73 51.971 -17.329 4.596 585 HA PHE 73 HA PHE 73 51.212 -18.270 7.346 586 1HB PHE 73 HB2 PHE 73 50.257 -16.158 5.586 587 2HB PHE 73 HB1 PHE 73 48.948 -17.259 6.031 588 HD1 PHE 73 HD2 PHE 73 51.980 -15.891 7.781 589 HD2 PHE 73 HD1 PHE 73 47.731 -16.511 7.865 590 HE1 PHE 73 HE2 PHE 73 51.876 -14.862 10.034 591 HE2 PHE 73 HE1 PHE 73 47.626 -15.481 10.119 592 HZ PHE 73 HZ PHE 73 49.699 -14.658 11.204 593 H GLU 74 HN GLU 74 51.919 -19.638 4.588 594 HA GLU 74 HA GLU 74 51.143 -21.513 3.377 595 1HB GLU 74 HB2 GLU 74 49.776 -21.839 6.068 596 2HB GLU 74 HB1 GLU 74 49.951 -23.126 4.872 597 1HG GLU 74 HG2 GLU 74 52.525 -22.105 5.105 598 2HG GLU 74 HG1 GLU 74 51.917 -22.072 6.760 599 H GLN 75 HN GLN 75 48.142 -21.787 5.061 600 HA GLN 75 HA GLN 75 46.711 -20.861 2.616 601 1HB GLN 75 HB2 GLN 75 46.238 -22.775 4.874 602 2HB GLN 75 HB1 GLN 75 44.836 -22.099 4.043 603 1HG GLN 75 HG2 GLN 75 45.148 -23.488 2.302 604 2HG GLN 75 HG1 GLN 75 46.798 -22.901 2.095 605 1HE2 GLN 75 HE22 GLN 75 48.251 -25.776 3.517 606 2HE2 GLN 75 HE21 GLN 75 48.483 -24.307 2.699 607 H GLY 76 HN GLY 76 46.858 -20.377 6.133 608 1HA GLY 76 HA2 GLY 76 46.408 -17.788 6.499 609 2HA GLY 76 HA1 GLY 76 44.798 -18.249 5.946 610 H GLY 77 HN GLY 77 44.245 -17.439 8.201 611 1HA GLY 77 HA2 GLY 77 44.862 -19.463 10.302 612 2HA GLY 77 HA1 GLY 77 44.259 -17.835 10.612 No H/Q in entry = 612 Start of MODEL 11 1 1H ALA 1 HT2 ALA 1 66.550 -16.144 -1.999 2 2H ALA 1 HT1 ALA 1 67.838 -15.768 -0.956 3 3H ALA 1 HT3 ALA 1 66.982 -17.219 -0.757 4 HA ALA 1 HA ALA 1 65.222 -16.229 0.274 5 1HB ALA 1 HB1 ALA 1 67.802 -15.474 0.992 6 2HB ALA 1 HB3 ALA 1 66.917 -13.948 0.984 7 3HB ALA 1 HB2 ALA 1 66.362 -15.285 1.993 8 H LYS 2 HN LYS 2 64.035 -14.059 0.715 9 HA LYS 2 HA LYS 2 63.422 -12.814 -1.868 10 1HB LYS 2 HB2 LYS 2 62.396 -12.780 0.953 11 2HB LYS 2 HB1 LYS 2 61.903 -11.484 -0.138 12 1HG LYS 2 HG2 LYS 2 60.249 -12.995 -0.649 13 2HG LYS 2 HG1 LYS 2 61.480 -13.572 -1.773 14 1HD LYS 2 HD2 LYS 2 62.137 -14.863 0.592 15 2HD LYS 2 HD1 LYS 2 60.373 -14.878 0.604 16 1HE LYS 2 HE2 LYS 2 60.920 -16.838 -0.610 17 2HE LYS 2 HE1 LYS 2 60.617 -15.650 -1.894 18 1HZ LYS 2 HZ2 LYS 2 63.296 -15.958 -0.683 19 2HZ LYS 2 HZ1 LYS 2 62.807 -16.935 -1.985 20 3HZ LYS 2 HZ3 LYS 2 62.881 -15.251 -2.172 21 H GLN 3 HN GLN 3 62.903 -10.198 -1.260 22 HA GLN 3 HA GLN 3 65.630 -9.109 -0.680 23 1HB GLN 3 HB2 GLN 3 63.259 -7.922 -2.161 24 2HB GLN 3 HB1 GLN 3 64.885 -7.239 -2.087 25 1HG GLN 3 HG2 GLN 3 65.254 -9.892 -2.924 26 2HG GLN 3 HG1 GLN 3 63.853 -9.319 -3.832 27 1HE2 GLN 3 HE22 GLN 3 65.898 -6.465 -5.115 28 2HE2 GLN 3 HE21 GLN 3 64.478 -6.606 -4.198 29 H ASP 4 HN ASP 4 65.086 -6.524 -0.061 30 HA ASP 4 HA ASP 4 63.199 -6.653 2.265 31 1HB ASP 4 HB2 ASP 4 65.363 -4.828 2.758 32 2HB ASP 4 HB1 ASP 4 64.935 -6.283 3.658 33 H TYR 5 HN TYR 5 62.376 -4.617 2.958 34 HA TYR 5 HA TYR 5 62.688 -2.250 1.269 35 1HB TYR 5 HB2 TYR 5 59.874 -2.881 1.247 36 2HB TYR 5 HB1 TYR 5 60.954 -2.674 -0.126 37 HD1 TYR 5 HD1 TYR 5 59.793 -5.189 2.387 38 HD2 TYR 5 HD2 TYR 5 61.665 -4.511 -1.419 39 HE1 TYR 5 HE1 TYR 5 59.714 -7.623 1.914 40 HE2 TYR 5 HE2 TYR 5 61.579 -6.944 -1.895 41 HH TYR 5 HH TYR 5 61.500 -9.101 -0.410 42 H TYR 6 HN TYR 6 60.245 -3.765 3.441 43 HA TYR 6 HA TYR 6 59.726 -1.327 4.880 44 1HB TYR 6 HB2 TYR 6 59.321 -4.268 5.401 45 2HB TYR 6 HB1 TYR 6 58.804 -3.031 6.555 46 HD1 TYR 6 HD2 TYR 6 57.245 -1.209 5.812 47 HD2 TYR 6 HD1 TYR 6 58.086 -4.647 3.375 48 HE1 TYR 6 HE2 TYR 6 55.244 -0.720 4.429 49 HE2 TYR 6 HE1 TYR 6 56.086 -4.149 1.988 50 HH TYR 6 HH TYR 6 54.568 -2.525 1.496 51 H GLU 7 HN GLU 7 62.184 -3.748 4.887 52 HA GLU 7 HA GLU 7 63.392 -2.869 7.444 53 1HB GLU 7 HB2 GLU 7 63.893 -4.976 5.333 54 2HB GLU 7 HB1 GLU 7 65.136 -4.606 6.527 55 1HG GLU 7 HG2 GLU 7 63.949 -5.536 8.250 56 2HG GLU 7 HG1 GLU 7 62.394 -5.033 7.586 57 H ILE 8 HN ILE 8 63.645 -2.534 3.959 58 HA ILE 8 HA ILE 8 66.199 -1.476 3.553 59 HB ILE 8 HB ILE 8 63.512 -1.222 2.362 60 1HG1 ILE 8 HG12 ILE 8 66.298 -1.917 1.448 61 2HG1 ILE 8 HG11 ILE 8 64.889 -2.969 1.542 62 1HG2 ILE 8 HG23 ILE 8 64.283 1.154 2.435 63 2HG2 ILE 8 HG22 ILE 8 65.696 0.681 1.501 64 3HG2 ILE 8 HG21 ILE 8 64.084 0.533 0.802 65 1HD1 ILE 8 HD12 ILE 8 64.272 -0.752 -0.185 66 2HD1 ILE 8 HD11 ILE 8 65.794 -1.472 -0.699 67 3HD1 ILE 8 HD13 ILE 8 64.344 -2.465 -0.583 68 H LEU 9 HN LEU 9 63.232 0.160 4.443 69 HA LEU 9 HA LEU 9 64.536 2.748 5.001 70 1HB LEU 9 HB2 LEU 9 61.762 1.553 5.046 71 2HB LEU 9 HB1 LEU 9 62.058 3.216 5.540 72 HG LEU 9 HG LEU 9 61.587 3.560 3.335 73 1HD1 LEU 9 HD12 LEU 9 64.498 2.785 3.191 74 2HD1 LEU 9 HD11 LEU 9 63.642 3.661 1.926 75 3HD1 LEU 9 HD13 LEU 9 63.848 4.389 3.516 76 1HD2 LEU 9 HD22 LEU 9 62.539 0.759 2.914 77 2HD2 LEU 9 HD21 LEU 9 60.961 1.458 2.568 78 3HD2 LEU 9 HD23 LEU 9 62.339 1.839 1.537 79 H GLY 10 HN GLY 10 63.993 -0.140 6.687 80 1HA GLY 10 HA2 GLY 10 64.397 -0.628 8.961 81 2HA GLY 10 HA1 GLY 10 64.694 1.091 9.235 82 H VAL 11 HN VAL 11 61.802 0.491 7.534 83 HA VAL 11 HA VAL 11 60.241 1.321 9.918 84 HB VAL 11 HB VAL 11 58.669 0.710 7.567 85 1HG1 VAL 11 HG12 VAL 11 59.370 3.204 9.098 86 2HG1 VAL 11 HG11 VAL 11 58.240 3.196 7.743 87 3HG1 VAL 11 HG13 VAL 11 57.887 2.251 9.189 88 1HG2 VAL 11 HG22 VAL 11 61.218 2.192 7.115 89 2HG2 VAL 11 HG21 VAL 11 60.333 1.106 6.043 90 3HG2 VAL 11 HG23 VAL 11 59.758 2.750 6.304 91 H SER 12 HN SER 12 57.875 0.169 9.745 92 HA SER 12 HA SER 12 58.372 -2.649 10.412 93 1HB SER 12 HB2 SER 12 56.691 -0.631 11.290 94 2HB SER 12 HB1 SER 12 55.614 -1.663 10.353 95 HG SER 12 HG SER 12 56.015 -2.181 12.680 96 H LYS 13 HN LYS 13 57.477 -4.424 9.263 97 HA LYS 13 HA LYS 13 57.308 -4.288 6.473 98 1HB LYS 13 HB2 LYS 13 56.244 -6.460 6.651 99 2HB LYS 13 HB1 LYS 13 57.512 -6.313 7.867 100 1HG LYS 13 HG2 LYS 13 55.064 -5.287 8.964 101 2HG LYS 13 HG1 LYS 13 54.755 -6.889 8.294 102 1HD LYS 13 HD2 LYS 13 56.984 -7.534 9.519 103 2HD LYS 13 HD1 LYS 13 56.659 -6.089 10.478 104 1HE LYS 13 HE2 LYS 13 55.431 -7.570 11.748 105 2HE LYS 13 HE1 LYS 13 54.194 -7.260 10.515 106 1HZ LYS 13 HZ3 LYS 13 55.844 -9.084 9.344 107 2HZ LYS 13 HZ2 LYS 13 55.768 -9.621 10.953 108 3HZ LYS 13 HZ1 LYS 13 54.341 -9.429 10.053 109 H THR 14 HN THR 14 55.036 -3.321 8.864 110 HA THR 14 HA THR 14 52.950 -2.863 6.768 111 HB THR 14 HB THR 14 51.364 -3.182 8.506 112 HG1 THR 14 HG1 THR 14 52.403 -3.358 10.748 113 1HG2 THR 14 HG21 THR 14 53.164 -5.144 7.972 114 2HG2 THR 14 HG23 THR 14 53.368 -5.003 9.717 115 3HG2 THR 14 HG22 THR 14 51.779 -5.365 9.041 116 H ALA 15 HN ALA 15 55.424 -1.255 7.655 117 HA ALA 15 HA ALA 15 54.939 1.017 9.157 118 1HB ALA 15 HB2 ALA 15 57.012 0.233 8.108 119 2HB ALA 15 HB1 ALA 15 56.387 0.704 6.529 120 3HB ALA 15 HB3 ALA 15 56.706 1.928 7.751 121 H GLU 16 HN GLU 16 55.503 2.870 6.825 122 HA GLU 16 HA GLU 16 52.924 3.198 5.456 123 1HB GLU 16 HB2 GLU 16 53.877 4.765 7.822 124 2HB GLU 16 HB1 GLU 16 53.048 5.652 6.539 125 1HG GLU 16 HG2 GLU 16 51.059 4.870 7.230 126 2HG GLU 16 HG1 GLU 16 51.629 3.207 7.092 127 H GLU 17 HN GLU 17 53.478 3.916 3.452 128 HA GLU 17 HA GLU 17 55.914 4.391 2.346 129 1HB GLU 17 HB2 GLU 17 54.735 5.663 0.651 130 2HB GLU 17 HB1 GLU 17 53.650 4.411 1.257 131 1HG GLU 17 HG2 GLU 17 52.707 6.118 2.858 132 2HG GLU 17 HG1 GLU 17 53.662 7.342 2.019 133 H ARG 18 HN ARG 18 54.271 6.674 4.493 134 HA ARG 18 HA ARG 18 55.953 8.939 3.779 135 1HB ARG 18 HB2 ARG 18 54.859 9.904 5.824 136 2HB ARG 18 HB1 ARG 18 53.711 9.216 4.675 137 1HG ARG 18 HG2 ARG 18 52.915 7.959 6.368 138 2HG ARG 18 HG1 ARG 18 54.438 7.070 6.321 139 1HD ARG 18 HD2 ARG 18 55.190 8.042 8.243 140 2HD ARG 18 HD1 ARG 18 54.596 9.644 7.762 141 HE ARG 18 HE ARG 18 52.479 7.718 8.409 142 1HH1 ARG 18 HH11 ARG 18 51.466 10.207 8.889 143 2HH1 ARG 18 HH12 ARG 18 51.876 10.631 10.518 144 1HH2 ARG 18 HH21 ARG 18 54.376 8.243 10.790 145 2HH2 ARG 18 HH22 ARG 18 53.521 9.516 11.596 146 H GLU 19 HN GLU 19 56.326 6.256 5.934 147 HA GLU 19 HA GLU 19 58.592 7.591 7.317 148 1HB GLU 19 HB2 GLU 19 58.311 5.056 8.406 149 2HB GLU 19 HB1 GLU 19 57.611 6.522 9.074 150 1HG GLU 19 HG2 GLU 19 55.577 6.078 7.620 151 2HG GLU 19 HG1 GLU 19 56.284 4.505 7.253 152 H ILE 20 HN ILE 20 57.777 5.401 4.816 153 HA ILE 20 HA ILE 20 60.377 3.990 4.832 154 HB ILE 20 HB ILE 20 57.749 3.854 3.457 155 1HG1 ILE 20 HG12 ILE 20 58.687 1.376 3.353 156 2HG1 ILE 20 HG11 ILE 20 59.867 2.006 4.495 157 1HG2 ILE 20 HG21 ILE 20 60.337 3.408 1.976 158 2HG2 ILE 20 HG23 ILE 20 58.888 2.501 1.554 159 3HG2 ILE 20 HG22 ILE 20 58.896 4.260 1.429 160 1HD1 ILE 20 HD13 ILE 20 57.894 2.903 5.845 161 2HD1 ILE 20 HD12 ILE 20 56.859 1.930 4.800 162 3HD1 ILE 20 HD11 ILE 20 58.066 1.148 5.818 163 H ARG 21 HN ARG 21 58.587 6.206 2.659 164 HA ARG 21 HA ARG 21 60.726 6.892 0.926 165 1HB ARG 21 HB2 ARG 21 59.321 8.830 0.446 166 2HB ARG 21 HB1 ARG 21 58.256 7.457 0.753 167 1HG ARG 21 HG2 ARG 21 57.288 9.108 2.092 168 2HG ARG 21 HG1 ARG 21 58.351 8.293 3.240 169 1HD ARG 21 HD2 ARG 21 59.660 10.138 3.492 170 2HD ARG 21 HD1 ARG 21 59.700 10.437 1.742 171 HE ARG 21 HE ARG 21 57.977 11.800 3.536 172 1HH1 ARG 21 HH11 ARG 21 58.412 11.015 0.302 173 2HH1 ARG 21 HH12 ARG 21 56.793 11.384 -0.188 174 1HH2 ARG 21 HH21 ARG 21 55.635 11.840 3.050 175 2HH2 ARG 21 HH22 ARG 21 55.218 11.843 1.369 176 H LYS 22 HN LYS 22 59.967 7.716 4.192 177 HA LYS 22 HA LYS 22 61.694 10.040 4.454 178 1HB LYS 22 HB2 LYS 22 59.762 9.835 5.851 179 2HB LYS 22 HB1 LYS 22 60.163 8.173 6.283 180 1HG LYS 22 HG2 LYS 22 60.674 9.993 8.040 181 2HG LYS 22 HG1 LYS 22 61.959 8.844 7.679 182 1HD LYS 22 HD2 LYS 22 63.003 10.987 7.672 183 2HD LYS 22 HD1 LYS 22 62.817 10.561 5.975 184 1HE LYS 22 HE2 LYS 22 60.816 11.950 5.790 185 2HE LYS 22 HE1 LYS 22 60.870 12.302 7.528 186 1HZ LYS 22 HZ2 LYS 22 63.365 12.887 6.843 187 2HZ LYS 22 HZ1 LYS 22 62.582 13.288 5.389 188 3HZ LYS 22 HZ3 LYS 22 62.116 14.039 6.836 189 H ALA 23 HN ALA 23 61.873 6.677 5.691 190 HA ALA 23 HA ALA 23 64.318 6.722 7.014 191 1HB ALA 23 HB2 ALA 23 63.092 4.643 5.188 192 2HB ALA 23 HB1 ALA 23 64.420 4.308 6.296 193 3HB ALA 23 HB3 ALA 23 62.845 4.792 6.928 194 H TYR 24 HN TYR 24 63.732 6.515 3.530 195 HA TYR 24 HA TYR 24 66.557 6.219 2.841 196 1HB TYR 24 HB2 TYR 24 64.565 5.370 1.535 197 2HB TYR 24 HB1 TYR 24 64.142 7.044 1.189 198 HD1 TYR 24 HD1 TYR 24 67.615 5.725 1.404 199 HD2 TYR 24 HD2 TYR 24 64.451 7.038 -1.191 200 HE1 TYR 24 HE1 TYR 24 69.195 5.760 -0.506 201 HE2 TYR 24 HE2 TYR 24 66.032 7.072 -3.099 202 HH TYR 24 HH TYR 24 68.520 7.295 -3.420 203 H LYS 25 HN LYS 25 64.069 8.723 2.754 204 HA LYS 25 HA LYS 25 65.501 10.906 1.720 205 1HB LYS 25 HB2 LYS 25 63.125 10.263 3.223 206 2HB LYS 25 HB1 LYS 25 63.838 11.744 3.862 207 1HG LYS 25 HG2 LYS 25 63.141 12.915 2.063 208 2HG LYS 25 HG1 LYS 25 63.916 11.767 0.969 209 1HD LYS 25 HD2 LYS 25 62.007 10.424 0.810 210 2HD LYS 25 HD1 LYS 25 61.337 11.034 2.323 211 1HE LYS 25 HE2 LYS 25 61.709 12.847 -0.075 212 2HE LYS 25 HE1 LYS 25 60.231 11.893 0.155 213 1HZ LYS 25 HZ2 LYS 25 60.594 12.859 2.610 214 2HZ LYS 25 HZ1 LYS 25 61.235 14.142 1.697 215 3HZ LYS 25 HZ3 LYS 25 59.637 13.633 1.439 216 H ARG 26 HN ARG 26 65.664 9.348 4.864 217 HA ARG 26 HA ARG 26 67.171 11.505 6.151 218 1HB ARG 26 HB2 ARG 26 66.462 8.648 6.877 219 2HB ARG 26 HB1 ARG 26 67.288 9.758 7.973 220 1HG ARG 26 HG2 ARG 26 64.967 11.043 6.822 221 2HG ARG 26 HG1 ARG 26 64.505 9.519 7.580 222 1HD ARG 26 HD2 ARG 26 66.393 11.287 9.087 223 2HD ARG 26 HD1 ARG 26 64.683 11.758 9.026 224 HE ARG 26 HE ARG 26 65.716 9.194 10.140 225 1HH1 ARG 26 HH21 ARG 26 63.444 7.992 9.629 226 2HH1 ARG 26 HH22 ARG 26 62.179 8.695 10.581 227 1HH2 ARG 26 HH11 ARG 26 63.965 11.580 11.304 228 2HH2 ARG 26 HH12 ARG 26 62.475 10.726 11.533 229 H LEU 27 HN LEU 27 67.917 8.171 5.044 230 HA LEU 27 HA LEU 27 70.775 8.489 5.579 231 1HB LEU 27 HB2 LEU 27 70.875 6.215 4.905 232 2HB LEU 27 HB1 LEU 27 69.283 6.373 5.645 233 HG LEU 27 HG LEU 27 68.477 6.906 3.227 234 1HD1 LEU 27 HD11 LEU 27 71.268 6.406 2.809 235 2HD1 LEU 27 HD13 LEU 27 70.349 5.122 2.021 236 3HD1 LEU 27 HD12 LEU 27 70.039 6.809 1.608 237 1HD2 LEU 27 HD23 LEU 27 69.351 4.179 4.203 238 2HD2 LEU 27 HD22 LEU 27 67.753 4.911 4.342 239 3HD2 LEU 27 HD21 LEU 27 68.356 4.405 2.765 240 H ALA 28 HN ALA 28 68.608 8.628 2.824 241 HA ALA 28 HA ALA 28 70.611 8.778 0.774 242 1HB ALA 28 HB2 ALA 28 68.086 8.206 0.749 243 2HB ALA 28 HB1 ALA 28 67.829 9.951 0.739 244 3HB ALA 28 HB3 ALA 28 68.701 9.181 -0.587 245 H MET 29 HN MET 29 68.713 11.273 2.523 246 HA MET 29 HA MET 29 69.935 13.501 1.168 247 1HB MET 29 HB2 MET 29 68.946 14.794 2.956 248 2HB MET 29 HB1 MET 29 67.841 13.455 2.641 249 1HG MET 29 HG2 MET 29 68.944 12.186 4.496 250 2HG MET 29 HG1 MET 29 69.892 13.627 4.864 251 1HE MET 29 HE1 MET 29 69.603 14.441 6.599 252 2HE MET 29 HE3 MET 29 68.431 15.763 6.702 253 3HE MET 29 HE2 MET 29 68.232 14.322 7.698 254 H LYS 30 HN LYS 30 70.912 11.318 3.674 255 HA LYS 30 HA LYS 30 73.237 12.940 4.518 256 1HB LYS 30 HB2 LYS 30 71.670 10.645 5.414 257 2HB LYS 30 HB1 LYS 30 73.401 10.325 5.523 258 1HG LYS 30 HG2 LYS 30 73.581 11.658 7.325 259 2HG LYS 30 HG1 LYS 30 72.854 13.002 6.444 260 1HD LYS 30 HD2 LYS 30 70.684 12.459 7.141 261 2HD LYS 30 HD1 LYS 30 71.117 10.788 7.505 262 1HE LYS 30 HE2 LYS 30 72.212 11.385 9.521 263 2HE LYS 30 HE1 LYS 30 72.329 13.092 9.049 264 1HZ LYS 30 HZ3 LYS 30 69.709 12.698 8.836 265 2HZ LYS 30 HZ2 LYS 30 70.053 11.614 10.097 266 3HZ LYS 30 HZ1 LYS 30 70.445 13.259 10.257 267 H TYR 31 HN TYR 31 72.384 10.478 2.230 268 HA TYR 31 HA TYR 31 75.253 9.836 1.702 269 1HB TYR 31 HB2 TYR 31 72.634 8.477 1.455 270 2HB TYR 31 HB1 TYR 31 73.760 8.176 0.128 271 HD1 TYR 31 HD1 TYR 31 74.433 8.854 3.734 272 HD2 TYR 31 HD2 TYR 31 74.635 6.010 0.522 273 HE1 TYR 31 HE1 TYR 31 75.720 7.315 5.184 274 HE2 TYR 31 HE2 TYR 31 75.925 4.467 1.974 275 HH TYR 31 HH TYR 31 76.523 4.042 4.133 276 H HIS 32 HN HIS 32 73.151 12.057 0.827 277 HA HIS 32 HA HIS 32 72.898 12.161 -1.967 278 1HB HIS 32 HB2 HIS 32 72.457 14.500 -1.410 279 2HB HIS 32 HB1 HIS 32 71.877 13.485 -0.105 280 HD1 HIS 32 HD1 HIS 32 73.249 16.536 -0.054 281 HD2 HIS 32 HD2 HIS 32 74.741 12.948 1.452 282 HE1 HIS 32 HE1 HIS 32 74.928 17.160 1.737 283 HA PRO 33 HA PRO 33 76.742 13.511 -3.585 284 1HB PRO 33 HB2 PRO 33 77.116 16.226 -3.712 285 2HB PRO 33 HB1 PRO 33 76.069 15.318 -4.821 286 1HG PRO 33 HG2 PRO 33 75.345 16.943 -2.448 287 2HG PRO 33 HG1 PRO 33 74.504 16.761 -3.993 288 1HD PRO 33 HD2 PRO 33 73.767 15.546 -1.703 289 2HD PRO 33 HD1 PRO 33 73.403 14.893 -3.314 290 H ASP 34 HN ASP 34 76.887 12.852 -0.937 291 HA ASP 34 HA ASP 34 78.937 14.655 0.273 292 1HB ASP 34 HB2 ASP 34 77.765 14.127 2.165 293 2HB ASP 34 HB1 ASP 34 76.704 13.092 1.215 294 H ARG 35 HN ARG 35 78.184 11.339 -0.682 295 HA ARG 35 HA ARG 35 81.071 10.808 -1.158 296 1HB ARG 35 HB2 ARG 35 80.743 8.617 -0.006 297 2HB ARG 35 HB1 ARG 35 80.472 9.979 1.083 298 1HG ARG 35 HG2 ARG 35 78.612 8.591 1.489 299 2HG ARG 35 HG1 ARG 35 77.985 9.784 0.350 300 1HD ARG 35 HD2 ARG 35 77.419 8.089 -1.026 301 2HD ARG 35 HD1 ARG 35 79.143 7.710 -1.205 302 HE ARG 35 HE ARG 35 77.349 6.105 0.277 303 1HH1 ARG 35 HH21 ARG 35 78.113 6.751 2.805 304 2HH1 ARG 35 HH22 ARG 35 79.704 6.114 3.058 305 1HH2 ARG 35 HH11 ARG 35 80.366 5.711 -0.323 306 2HH2 ARG 35 HH12 ARG 35 80.979 5.525 1.287 307 H ASN 36 HN ASN 36 77.641 10.094 -1.781 308 HA ASN 36 HA ASN 36 77.674 7.913 -3.476 309 1HB ASN 36 HB2 ASN 36 76.095 10.256 -2.973 310 2HB ASN 36 HB1 ASN 36 76.134 9.967 -4.708 311 1HD2 ASN 36 HD22 ASN 36 73.814 7.629 -2.447 312 2HD2 ASN 36 HD21 ASN 36 74.483 9.091 -1.905 313 H GLN 37 HN GLN 37 78.867 11.164 -4.144 314 HA GLN 37 HA GLN 37 79.199 10.909 -6.961 315 1HB GLN 37 HB2 GLN 37 80.880 12.475 -4.982 316 2HB GLN 37 HB1 GLN 37 80.602 12.871 -6.678 317 1HG GLN 37 HG2 GLN 37 78.097 12.518 -5.235 318 2HG GLN 37 HG1 GLN 37 79.096 13.776 -4.506 319 1HE2 GLN 37 HE22 GLN 37 78.189 16.069 -7.003 320 2HE2 GLN 37 HE21 GLN 37 78.600 15.782 -5.381 321 H GLY 38 HN GLY 38 80.772 9.306 -4.407 322 1HA GLY 38 HA2 GLY 38 82.948 8.454 -6.272 323 2HA GLY 38 HA1 GLY 38 83.295 8.805 -4.577 324 H ASP 39 HN ASP 39 80.223 7.405 -5.224 325 HA ASP 39 HA ASP 39 81.251 4.731 -4.320 326 1HB ASP 39 HB2 ASP 39 80.083 5.977 -2.551 327 2HB ASP 39 HB1 ASP 39 78.693 6.205 -3.613 328 H LYS 40 HN LYS 40 81.071 3.438 -6.123 329 HA LYS 40 HA LYS 40 78.820 3.776 -8.013 330 1HB LYS 40 HB2 LYS 40 81.218 1.909 -7.909 331 2HB LYS 40 HB1 LYS 40 80.127 2.081 -9.284 332 1HG LYS 40 HG2 LYS 40 81.071 4.679 -8.444 333 2HG LYS 40 HG1 LYS 40 82.440 3.607 -8.745 334 1HD LYS 40 HD2 LYS 40 80.863 2.994 -10.874 335 2HD LYS 40 HD1 LYS 40 80.437 4.690 -10.641 336 1HE LYS 40 HE2 LYS 40 82.359 4.523 -12.172 337 2HE LYS 40 HE1 LYS 40 82.890 5.251 -10.643 338 1HZ LYS 40 HZ2 LYS 40 82.883 2.348 -10.733 339 2HZ LYS 40 HZ1 LYS 40 84.050 3.102 -11.712 340 3HZ LYS 40 HZ3 LYS 40 84.017 3.410 -10.044 341 H GLU 41 HN GLU 41 79.336 0.683 -8.304 342 HA GLU 41 HA GLU 41 77.557 -0.971 -7.795 343 1HB GLU 41 HB2 GLU 41 78.897 -1.933 -5.647 344 2HB GLU 41 HB1 GLU 41 79.520 -2.041 -7.292 345 1HG GLU 41 HG2 GLU 41 80.996 -0.245 -6.993 346 2HG GLU 41 HG1 GLU 41 80.080 0.417 -5.645 347 H ALA 42 HN ALA 42 78.620 0.334 -4.624 348 HA ALA 42 HA ALA 42 76.401 -0.375 -3.086 349 1HB ALA 42 HB1 ALA 42 78.520 1.670 -3.091 350 2HB ALA 42 HB3 ALA 42 77.089 2.149 -2.178 351 3HB ALA 42 HB2 ALA 42 77.942 0.662 -1.764 352 H GLU 43 HN GLU 43 76.638 2.062 -5.585 353 HA GLU 43 HA GLU 43 74.620 3.898 -5.113 354 1HB GLU 43 HB2 GLU 43 75.870 3.721 -7.218 355 2HB GLU 43 HB1 GLU 43 75.047 2.204 -7.587 356 1HG GLU 43 HG2 GLU 43 73.330 3.322 -8.493 357 2HG GLU 43 HG1 GLU 43 73.065 4.171 -6.971 358 H ALA 44 HN ALA 44 74.196 0.571 -6.264 359 HA ALA 44 HA ALA 44 71.446 0.695 -6.659 360 1HB ALA 44 HB1 ALA 44 73.208 -1.124 -7.205 361 2HB ALA 44 HB3 ALA 44 72.891 -1.731 -5.580 362 3HB ALA 44 HB2 ALA 44 71.592 -1.682 -6.772 363 H LYS 45 HN LYS 45 72.997 -0.815 -3.791 364 HA LYS 45 HA LYS 45 70.732 -1.117 -2.211 365 1HB LYS 45 HB2 LYS 45 72.944 -1.834 -1.508 366 2HB LYS 45 HB1 LYS 45 73.499 -0.154 -1.418 367 1HG LYS 45 HG2 LYS 45 71.908 0.325 0.364 368 2HG LYS 45 HG1 LYS 45 71.197 -1.282 0.210 369 1HD LYS 45 HD2 LYS 45 72.650 -1.856 1.866 370 2HD LYS 45 HD1 LYS 45 73.850 -1.892 0.576 371 1HE LYS 45 HE2 LYS 45 74.930 -0.095 1.437 372 2HE LYS 45 HE1 LYS 45 73.417 0.825 1.561 373 1HZ LYS 45 HZ3 LYS 45 72.851 -0.585 3.507 374 2HZ LYS 45 HZ2 LYS 45 74.416 -1.242 3.446 375 3HZ LYS 45 HZ1 LYS 45 74.198 0.412 3.765 376 H PHE 46 HN PHE 46 72.316 1.884 -3.111 377 HA PHE 46 HA PHE 46 70.978 3.506 -1.093 378 1HB PHE 46 HB2 PHE 46 72.414 4.156 -3.688 379 2HB PHE 46 HB1 PHE 46 71.889 5.365 -2.522 380 HD1 PHE 46 HD2 PHE 46 72.654 2.557 -0.615 381 HD2 PHE 46 HD1 PHE 46 74.592 5.641 -2.897 382 HE1 PHE 46 HE2 PHE 46 74.735 2.213 0.687 383 HE2 PHE 46 HE1 PHE 46 76.672 5.295 -1.592 384 HZ PHE 46 HZ PHE 46 76.743 3.582 0.198 385 H LYS 47 HN LYS 47 70.443 2.888 -4.599 386 HA LYS 47 HA LYS 47 67.888 4.393 -4.394 387 1HB LYS 47 HB2 LYS 47 67.770 3.798 -6.873 388 2HB LYS 47 HB1 LYS 47 69.155 4.777 -6.410 389 1HG LYS 47 HG2 LYS 47 69.890 3.020 -7.916 390 2HG LYS 47 HG1 LYS 47 70.539 2.690 -6.318 391 1HD LYS 47 HD2 LYS 47 69.375 0.765 -6.133 392 2HD LYS 47 HD1 LYS 47 67.899 1.502 -6.747 393 1HE LYS 47 HE2 LYS 47 70.232 0.518 -8.427 394 2HE LYS 47 HE1 LYS 47 68.627 -0.228 -8.318 395 1HZ LYS 47 HZ1 LYS 47 68.271 2.499 -8.811 396 2HZ LYS 47 HZ3 LYS 47 69.425 1.942 -9.922 397 3HZ LYS 47 HZ2 LYS 47 67.901 1.198 -9.837 398 H GLU 48 HN GLU 48 69.124 1.181 -4.334 399 HA GLU 48 HA GLU 48 66.956 -0.457 -5.041 400 1HB GLU 48 HB2 GLU 48 69.121 -0.484 -2.941 401 2HB GLU 48 HB1 GLU 48 67.940 -1.788 -2.979 402 1HG GLU 48 HG2 GLU 48 69.418 -0.963 -5.470 403 2HG GLU 48 HG1 GLU 48 70.136 -2.094 -4.324 404 H ILE 49 HN ILE 49 67.643 1.403 -2.154 405 HA ILE 49 HA ILE 49 65.524 0.596 -0.460 406 HB ILE 49 HB ILE 49 66.840 3.269 -0.929 407 1HG1 ILE 49 HG12 ILE 49 67.568 1.400 1.273 408 2HG1 ILE 49 HG11 ILE 49 68.111 1.007 -0.357 409 1HG2 ILE 49 HG21 ILE 49 64.660 2.713 0.681 410 2HG2 ILE 49 HG23 ILE 49 66.028 2.635 1.791 411 3HG2 ILE 49 HG22 ILE 49 65.741 4.096 0.844 412 1HD1 ILE 49 HD11 ILE 49 68.566 3.696 0.953 413 2HD1 ILE 49 HD13 ILE 49 69.751 2.389 0.962 414 3HD1 ILE 49 HD12 ILE 49 69.252 3.115 -0.562 415 H LYS 50 HN LYS 50 65.736 2.978 -3.050 416 HA LYS 50 HA LYS 50 63.143 4.168 -2.779 417 1HB LYS 50 HB2 LYS 50 65.255 4.789 -4.185 418 2HB LYS 50 HB1 LYS 50 64.568 3.711 -5.402 419 1HG LYS 50 HG2 LYS 50 62.853 5.839 -4.146 420 2HG LYS 50 HG1 LYS 50 63.950 6.257 -5.464 421 1HD LYS 50 HD2 LYS 50 62.398 3.815 -5.971 422 2HD LYS 50 HD1 LYS 50 61.398 5.255 -5.786 423 1HE LYS 50 HE2 LYS 50 62.228 6.241 -7.696 424 2HE LYS 50 HE1 LYS 50 63.839 5.527 -7.484 425 1HZ LYS 50 HZ2 LYS 50 61.581 3.715 -7.908 426 2HZ LYS 50 HZ1 LYS 50 62.153 4.578 -9.256 427 3HZ LYS 50 HZ3 LYS 50 63.200 3.558 -8.398 428 H GLU 51 HN GLU 51 64.282 1.314 -4.570 429 HA GLU 51 HA GLU 51 61.952 0.674 -6.034 430 1HB GLU 51 HB2 GLU 51 64.139 -0.426 -6.240 431 2HB GLU 51 HB1 GLU 51 63.969 -1.093 -4.616 432 1HG GLU 51 HG2 GLU 51 62.607 -2.763 -5.326 433 2HG GLU 51 HG1 GLU 51 61.671 -1.674 -6.350 434 H ALA 52 HN ALA 52 62.845 -0.170 -2.683 435 HA ALA 52 HA ALA 52 60.786 -1.843 -1.875 436 1HB ALA 52 HB1 ALA 52 62.084 0.550 -0.553 437 2HB ALA 52 HB3 ALA 52 61.009 -0.538 0.319 438 3HB ALA 52 HB2 ALA 52 62.512 -1.148 -0.366 439 H TYR 53 HN TYR 53 60.573 1.526 -2.804 440 HA TYR 53 HA TYR 53 58.068 2.180 -1.631 441 1HB TYR 53 HB2 TYR 53 59.418 3.070 -4.192 442 2HB TYR 53 HB1 TYR 53 58.044 3.894 -3.460 443 HD1 TYR 53 HD1 TYR 53 59.952 2.501 -0.847 444 HD2 TYR 53 HD2 TYR 53 59.954 5.753 -3.652 445 HE1 TYR 53 HE1 TYR 53 61.504 3.743 0.604 446 HE2 TYR 53 HE2 TYR 53 61.500 7.003 -2.190 447 HH TYR 53 HH TYR 53 62.380 5.827 1.013 448 H GLU 54 HN GLU 54 58.875 0.827 -4.823 449 HA GLU 54 HA GLU 54 56.301 0.648 -5.950 450 1HB GLU 54 HB2 GLU 54 58.325 -1.601 -6.049 451 2HB GLU 54 HB1 GLU 54 57.242 -1.056 -7.329 452 1HG GLU 54 HG2 GLU 54 58.761 1.194 -6.632 453 2HG GLU 54 HG1 GLU 54 59.905 -0.147 -6.686 454 H VAL 55 HN VAL 55 57.752 -1.010 -3.274 455 HA VAL 55 HA VAL 55 55.569 -2.976 -3.189 456 HB VAL 55 HB VAL 55 58.318 -2.950 -2.601 457 1HG1 VAL 55 HG11 VAL 55 56.631 -3.300 -0.107 458 2HG1 VAL 55 HG13 VAL 55 58.325 -3.771 -0.243 459 3HG1 VAL 55 HG12 VAL 55 57.867 -2.072 -0.369 460 1HG2 VAL 55 HG22 VAL 55 56.219 -4.762 -3.024 461 2HG2 VAL 55 HG21 VAL 55 57.940 -5.137 -2.929 462 3HG2 VAL 55 HG23 VAL 55 56.936 -5.229 -1.481 463 H LEU 56 HN LEU 56 57.019 -0.442 -1.063 464 HA LEU 56 HA LEU 56 54.756 -0.825 0.784 465 1HB LEU 56 HB2 LEU 56 56.369 -0.262 2.241 466 2HB LEU 56 HB1 LEU 56 57.467 0.054 0.902 467 HG LEU 56 HG LEU 56 57.293 2.016 2.351 468 1HD1 LEU 56 HD11 LEU 56 56.804 1.949 -0.428 469 2HD1 LEU 56 HD13 LEU 56 55.770 3.203 0.240 470 3HD1 LEU 56 HD12 LEU 56 57.512 3.266 0.501 471 1HD2 LEU 56 HD23 LEU 56 54.531 1.256 2.371 472 2HD2 LEU 56 HD22 LEU 56 55.339 2.480 3.351 473 3HD2 LEU 56 HD21 LEU 56 54.658 2.913 1.782 474 H THR 57 HN THR 57 55.587 1.394 -1.813 475 HA THR 57 HA THR 57 53.578 3.379 -0.911 476 HB THR 57 HB THR 57 54.263 4.590 -2.949 477 HG1 THR 57 HG1 THR 57 56.248 3.183 -3.864 478 1HG2 THR 57 HG22 THR 57 55.742 4.610 -0.864 479 2HG2 THR 57 HG21 THR 57 56.778 3.462 -1.712 480 3HG2 THR 57 HG23 THR 57 56.523 5.073 -2.372 481 H ASP 58 HN ASP 58 52.677 0.623 -1.504 482 HA ASP 58 HA ASP 58 50.552 1.301 -3.447 483 1HB ASP 58 HB2 ASP 58 52.892 -0.229 -4.068 484 2HB ASP 58 HB1 ASP 58 51.500 -1.315 -4.084 485 H SER 59 HN SER 59 48.757 0.791 -2.480 486 HA SER 59 HA SER 59 48.425 -0.577 -0.129 487 1HB SER 59 HB2 SER 59 46.820 0.797 -1.632 488 2HB SER 59 HB1 SER 59 46.420 -0.753 -2.366 489 HG SER 59 HG SER 59 45.924 -1.493 -0.228 490 H GLN 60 HN GLN 60 48.210 -2.000 -3.402 491 HA GLN 60 HA GLN 60 47.548 -4.666 -2.599 492 1HB GLN 60 HB2 GLN 60 47.357 -3.790 -4.883 493 2HB GLN 60 HB1 GLN 60 49.104 -3.571 -4.965 494 1HG GLN 60 HG2 GLN 60 49.510 -5.909 -4.953 495 2HG GLN 60 HG1 GLN 60 47.870 -6.272 -4.415 496 1HE2 GLN 60 HE22 GLN 60 48.600 -6.137 -8.340 497 2HE2 GLN 60 HE21 GLN 60 49.814 -6.241 -7.158 498 H LYS 61 HN LYS 61 50.628 -2.991 -2.915 499 HA LYS 61 HA LYS 61 52.328 -5.324 -2.502 500 1HB LYS 61 HB2 LYS 61 52.790 -2.354 -2.285 501 2HB LYS 61 HB1 LYS 61 54.037 -3.588 -2.482 502 1HG LYS 61 HG2 LYS 61 51.783 -3.120 -4.445 503 2HG LYS 61 HG1 LYS 61 53.396 -2.437 -4.623 504 1HD LYS 61 HD2 LYS 61 54.326 -4.441 -5.212 505 2HD LYS 61 HD1 LYS 61 53.291 -5.357 -4.116 506 1HE LYS 61 HE2 LYS 61 51.395 -4.581 -5.841 507 2HE LYS 61 HE1 LYS 61 52.783 -4.537 -6.945 508 1HZ LYS 61 HZ1 LYS 61 53.304 -6.778 -5.653 509 2HZ LYS 61 HZ3 LYS 61 51.613 -6.804 -5.527 510 3HZ LYS 61 HZ2 LYS 61 52.351 -6.745 -7.058 511 H ARG 62 HN ARG 62 51.706 -2.454 -0.462 512 HA ARG 62 HA ARG 62 53.022 -3.465 1.833 513 1HB ARG 62 HB2 ARG 62 51.697 -1.707 2.978 514 2HB ARG 62 HB1 ARG 62 52.318 -1.121 1.432 515 1HG ARG 62 HG2 ARG 62 50.237 -1.266 0.387 516 2HG ARG 62 HG1 ARG 62 49.625 -2.442 1.545 517 1HD ARG 62 HD2 ARG 62 50.381 0.236 2.631 518 2HD ARG 62 HD1 ARG 62 48.896 0.142 1.663 519 HE ARG 62 HE ARG 62 48.456 -1.957 3.226 520 1HH1 ARG 62 HH11 ARG 62 50.847 -0.838 4.883 521 2HH1 ARG 62 HH12 ARG 62 49.983 -0.062 6.167 522 1HH2 ARG 62 HH21 ARG 62 46.932 -0.146 4.522 523 2HH2 ARG 62 HH22 ARG 62 47.766 0.329 5.963 524 H ALA 63 HN ALA 63 49.891 -4.227 0.511 525 HA ALA 63 HA ALA 63 48.858 -5.388 3.007 526 1HB ALA 63 HB2 ALA 63 47.472 -4.317 1.195 527 2HB ALA 63 HB1 ALA 63 47.914 -5.652 0.130 528 3HB ALA 63 HB3 ALA 63 46.958 -5.959 1.580 529 H ALA 64 HN ALA 64 50.686 -6.341 0.228 530 HA ALA 64 HA ALA 64 50.357 -9.237 0.716 531 1HB ALA 64 HB2 ALA 64 50.882 -7.541 -1.448 532 2HB ALA 64 HB1 ALA 64 52.419 -8.354 -1.155 533 3HB ALA 64 HB3 ALA 64 50.966 -9.302 -1.473 534 H TYR 65 HN TYR 65 52.980 -6.810 0.731 535 HA TYR 65 HA TYR 65 54.979 -8.613 1.755 536 1HB TYR 65 HB2 TYR 65 54.629 -5.631 1.455 537 2HB TYR 65 HB1 TYR 65 56.082 -6.302 2.215 538 HD1 TYR 65 HD2 TYR 65 53.964 -6.547 -0.860 539 HD2 TYR 65 HD1 TYR 65 57.835 -7.170 0.888 540 HE1 TYR 65 HE2 TYR 65 54.877 -7.117 -3.093 541 HE2 TYR 65 HE1 TYR 65 58.750 -7.745 -1.347 542 HH TYR 65 HH TYR 65 58.191 -8.284 -3.479 543 H ASP 66 HN ASP 66 52.398 -6.845 3.283 544 HA ASP 66 HA ASP 66 53.425 -6.411 5.887 545 1HB ASP 66 HB2 ASP 66 51.051 -6.587 6.556 546 2HB ASP 66 HB1 ASP 66 51.193 -5.709 5.036 547 H GLN 67 HN GLN 67 52.332 -9.368 4.289 548 HA GLN 67 HA GLN 67 53.096 -10.925 6.743 549 1HB GLN 67 HB2 GLN 67 51.275 -11.762 4.468 550 2HB GLN 67 HB1 GLN 67 51.418 -12.509 6.059 551 1HG GLN 67 HG2 GLN 67 50.823 -9.781 6.516 552 2HG GLN 67 HG1 GLN 67 49.726 -10.323 5.245 553 1HE2 GLN 67 HE22 GLN 67 47.674 -11.778 7.708 554 2HE2 GLN 67 HE21 GLN 67 47.790 -10.765 6.351 555 H TYR 68 HN TYR 68 54.570 -9.934 4.138 556 HA TYR 68 HA TYR 68 56.181 -10.815 2.646 557 1HB TYR 68 HB2 TYR 68 56.248 -12.308 5.222 558 2HB TYR 68 HB1 TYR 68 57.176 -13.003 3.888 559 HD1 TYR 68 HD2 TYR 68 56.471 -9.555 5.219 560 HD2 TYR 68 HD1 TYR 68 59.408 -12.363 3.826 561 HE1 TYR 68 HE2 TYR 68 58.253 -7.868 5.576 562 HE2 TYR 68 HE1 TYR 68 61.191 -10.675 4.186 563 HH TYR 68 HH TYR 68 60.443 -7.353 4.962 564 H GLY 69 HN GLY 69 53.299 -11.859 2.535 565 1HA GLY 69 HA2 GLY 69 52.486 -13.232 0.693 566 2HA GLY 69 HA1 GLY 69 53.924 -14.242 0.864 567 H HIS 70 HN HIS 70 51.700 -15.691 0.833 568 HA HIS 70 HA HIS 70 50.555 -15.975 3.526 569 1HB HIS 70 HB2 HIS 70 49.183 -17.669 2.424 570 2HB HIS 70 HB1 HIS 70 49.289 -16.249 1.378 571 HD1 HIS 70 HD1 HIS 70 52.474 -17.401 0.867 572 HD2 HIS 70 HD2 HIS 70 48.791 -19.038 -0.197 573 HE1 HIS 70 HE1 HIS 70 52.925 -18.989 -1.053 574 H ALA 71 HN ALA 71 53.508 -16.703 2.508 575 HA ALA 71 HA ALA 71 53.718 -19.540 3.198 576 1HB ALA 71 HB1 ALA 71 55.539 -17.262 2.471 577 2HB ALA 71 HB3 ALA 71 56.236 -18.736 3.143 578 3HB ALA 71 HB2 ALA 71 55.305 -18.803 1.646 579 H ALA 72 HN ALA 72 54.294 -16.431 4.811 580 HA ALA 72 HA ALA 72 55.709 -17.248 7.098 581 1HB ALA 72 HB3 ALA 72 54.291 -15.006 6.137 582 2HB ALA 72 HB2 ALA 72 53.589 -15.363 7.715 583 3HB ALA 72 HB1 ALA 72 55.321 -15.067 7.568 584 H PHE 73 HN PHE 73 52.436 -17.954 6.165 585 HA PHE 73 HA PHE 73 51.825 -19.006 8.901 586 1HB PHE 73 HB2 PHE 73 50.395 -17.567 6.843 587 2HB PHE 73 HB1 PHE 73 49.569 -19.090 7.189 588 HD1 PHE 73 HD1 PHE 73 50.814 -15.925 8.663 589 HD2 PHE 73 HD2 PHE 73 48.520 -19.496 9.318 590 HE1 PHE 73 HE1 PHE 73 49.925 -14.966 10.770 591 HE2 PHE 73 HE2 PHE 73 47.631 -18.539 11.426 592 HZ PHE 73 HZ PHE 73 48.334 -16.273 12.153 593 H GLU 74 HN GLU 74 52.783 -19.985 5.790 594 HA GLU 74 HA GLU 74 52.883 -22.105 4.748 595 1HB GLU 74 HB2 GLU 74 52.416 -23.097 7.570 596 2HB GLU 74 HB1 GLU 74 53.374 -23.861 6.301 597 1HG GLU 74 HG2 GLU 74 54.719 -21.588 6.381 598 2HG GLU 74 HG1 GLU 74 54.038 -21.485 8.004 599 H GLN 75 HN GLN 75 50.575 -21.342 3.989 600 HA GLN 75 HA GLN 75 48.364 -21.989 3.464 601 1HB GLN 75 HB2 GLN 75 49.979 -24.314 4.017 602 2HB GLN 75 HB1 GLN 75 48.323 -24.611 4.545 603 1HG GLN 75 HG2 GLN 75 47.477 -23.936 2.341 604 2HG GLN 75 HG1 GLN 75 49.121 -23.585 1.804 605 1HE2 GLN 75 HE22 GLN 75 48.598 -26.974 0.554 606 2HE2 GLN 75 HE21 GLN 75 48.198 -25.372 0.155 607 H GLY 76 HN GLY 76 48.386 -20.451 5.690 608 1HA GLY 76 HA2 GLY 76 47.199 -21.846 7.978 609 2HA GLY 76 HA1 GLY 76 47.442 -20.104 7.837 610 H GLY 77 HN GLY 77 45.027 -21.219 8.804 611 1HA GLY 77 HA2 GLY 77 43.037 -19.768 7.580 612 2HA GLY 77 HA1 GLY 77 43.061 -21.263 6.644 No H/Q in entry = 612 Start of MODEL 12 1 1H ALA 1 HT2 ALA 1 71.422 -12.371 -2.081 2 2H ALA 1 HT1 ALA 1 71.531 -12.424 -0.387 3 3H ALA 1 HT3 ALA 1 71.915 -13.798 -1.304 4 HA ALA 1 HA ALA 1 69.632 -14.058 -1.994 5 1HB ALA 1 HB3 ALA 1 70.611 -14.874 0.228 6 2HB ALA 1 HB2 ALA 1 69.784 -13.511 0.980 7 3HB ALA 1 HB1 ALA 1 68.852 -14.764 0.160 8 H LYS 2 HN LYS 2 67.391 -13.286 -1.748 9 HA LYS 2 HA LYS 2 66.940 -10.584 -2.296 10 1HB LYS 2 HB2 LYS 2 65.429 -12.724 -2.325 11 2HB LYS 2 HB1 LYS 2 64.998 -12.232 -0.686 12 1HG LYS 2 HG2 LYS 2 63.384 -11.262 -2.216 13 2HG LYS 2 HG1 LYS 2 64.405 -9.964 -1.594 14 1HD LYS 2 HD2 LYS 2 65.521 -11.203 -3.996 15 2HD LYS 2 HD1 LYS 2 63.927 -10.503 -4.279 16 1HE LYS 2 HE2 LYS 2 65.111 -8.537 -2.767 17 2HE LYS 2 HE1 LYS 2 66.485 -9.144 -3.712 18 1HZ LYS 2 HZ1 LYS 2 63.851 -8.648 -4.961 19 2HZ LYS 2 HZ3 LYS 2 64.993 -7.404 -4.807 20 3HZ LYS 2 HZ2 LYS 2 65.369 -8.792 -5.712 21 H GLN 3 HN GLN 3 66.719 -8.734 -1.046 22 HA GLN 3 HA GLN 3 67.441 -8.937 1.822 23 1HB GLN 3 HB2 GLN 3 66.931 -6.500 0.092 24 2HB GLN 3 HB1 GLN 3 67.870 -6.573 1.583 25 1HG GLN 3 HG2 GLN 3 69.505 -8.061 0.487 26 2HG GLN 3 HG1 GLN 3 68.567 -7.993 -1.006 27 1HE2 GLN 3 HE22 GLN 3 70.252 -4.420 0.153 28 2HE2 GLN 3 HE21 GLN 3 69.505 -5.398 1.321 29 H ASP 4 HN ASP 4 66.119 -6.684 2.819 30 HA ASP 4 HA ASP 4 63.234 -7.485 2.597 31 1HB ASP 4 HB2 ASP 4 63.383 -6.411 5.062 32 2HB ASP 4 HB1 ASP 4 63.723 -8.111 4.761 33 H TYR 5 HN TYR 5 62.758 -5.861 1.065 34 HA TYR 5 HA TYR 5 63.474 -3.166 1.057 35 1HB TYR 5 HB2 TYR 5 61.003 -2.956 0.115 36 2HB TYR 5 HB1 TYR 5 62.251 -3.825 -0.781 37 HD1 TYR 5 HD2 TYR 5 59.605 -4.363 1.803 38 HD2 TYR 5 HD1 TYR 5 61.937 -6.023 -1.388 39 HE1 TYR 5 HE2 TYR 5 58.251 -6.449 1.902 40 HE2 TYR 5 HE1 TYR 5 60.594 -8.114 -1.295 41 HH TYR 5 HH TYR 5 58.545 -8.857 1.288 42 H TYR 6 HN TYR 6 60.972 -4.723 3.104 43 HA TYR 6 HA TYR 6 59.955 -2.211 4.106 44 1HB TYR 6 HB2 TYR 6 59.907 -5.089 4.988 45 2HB TYR 6 HB1 TYR 6 59.340 -3.833 6.096 46 HD1 TYR 6 HD2 TYR 6 58.052 -1.862 4.603 47 HD2 TYR 6 HD1 TYR 6 58.121 -6.087 3.829 48 HE1 TYR 6 HE2 TYR 6 55.924 -1.661 3.353 49 HE2 TYR 6 HE1 TYR 6 55.993 -5.886 2.572 50 HH TYR 6 HH TYR 6 54.548 -2.746 1.887 51 H GLU 7 HN GLU 7 62.685 -4.272 4.784 52 HA GLU 7 HA GLU 7 63.535 -2.702 7.137 53 1HB GLU 7 HB2 GLU 7 63.797 -5.296 6.478 54 2HB GLU 7 HB1 GLU 7 65.276 -4.684 5.736 55 1HG GLU 7 HG2 GLU 7 65.050 -3.474 8.303 56 2HG GLU 7 HG1 GLU 7 64.768 -5.204 8.506 57 H ILE 8 HN ILE 8 63.957 -2.828 3.680 58 HA ILE 8 HA ILE 8 66.463 -1.699 3.223 59 HB ILE 8 HB ILE 8 63.799 -1.663 1.972 60 1HG1 ILE 8 HG12 ILE 8 66.635 -1.939 0.953 61 2HG1 ILE 8 HG11 ILE 8 65.511 -3.254 1.297 62 1HG2 ILE 8 HG22 ILE 8 64.397 0.799 2.024 63 2HG2 ILE 8 HG21 ILE 8 65.795 0.401 1.037 64 3HG2 ILE 8 HG23 ILE 8 64.168 0.126 0.418 65 1HD1 ILE 8 HD11 ILE 8 64.010 -1.778 -0.417 66 2HD1 ILE 8 HD13 ILE 8 65.625 -1.428 -1.033 67 3HD1 ILE 8 HD12 ILE 8 65.060 -3.096 -0.937 68 H LEU 9 HN LEU 9 63.430 -0.207 4.130 69 HA LEU 9 HA LEU 9 64.610 2.483 4.581 70 1HB LEU 9 HB2 LEU 9 61.874 1.185 4.773 71 2HB LEU 9 HB1 LEU 9 62.153 2.886 5.137 72 HG LEU 9 HG LEU 9 61.549 3.035 2.928 73 1HD1 LEU 9 HD13 LEU 9 64.506 2.457 2.761 74 2HD1 LEU 9 HD12 LEU 9 63.566 3.210 1.476 75 3HD1 LEU 9 HD11 LEU 9 63.751 4.026 3.028 76 1HD2 LEU 9 HD22 LEU 9 62.734 0.302 2.615 77 2HD2 LEU 9 HD21 LEU 9 61.078 0.825 2.341 78 3HD2 LEU 9 HD23 LEU 9 62.348 1.288 1.214 79 H GLY 10 HN GLY 10 63.645 -0.389 6.259 80 1HA GLY 10 HA2 GLY 10 64.431 -0.890 8.509 81 2HA GLY 10 HA1 GLY 10 64.399 0.846 8.858 82 H VAL 11 HN VAL 11 61.765 -0.161 6.963 83 HA VAL 11 HA VAL 11 59.972 0.087 9.336 84 HB VAL 11 HB VAL 11 58.511 -0.076 6.907 85 1HG1 VAL 11 HG11 VAL 11 59.256 2.179 8.754 86 2HG1 VAL 11 HG13 VAL 11 58.081 2.344 7.450 87 3HG1 VAL 11 HG12 VAL 11 57.784 1.207 8.766 88 1HG2 VAL 11 HG21 VAL 11 61.040 1.527 6.646 89 2HG2 VAL 11 HG23 VAL 11 60.249 0.491 5.457 90 3HG2 VAL 11 HG22 VAL 11 59.562 2.065 5.858 91 H SER 12 HN SER 12 58.088 -1.352 9.429 92 HA SER 12 HA SER 12 58.792 -4.113 8.670 93 1HB SER 12 HB2 SER 12 56.252 -3.357 10.032 94 2HB SER 12 HB1 SER 12 57.350 -4.688 10.389 95 HG SER 12 HG SER 12 57.395 -2.031 11.219 96 H LYS 13 HN LYS 13 57.142 -5.447 7.503 97 HA LYS 13 HA LYS 13 56.117 -4.178 5.164 98 1HB LYS 13 HB2 LYS 13 54.719 -6.315 5.077 99 2HB LYS 13 HB1 LYS 13 56.464 -6.547 5.207 100 1HG LYS 13 HG2 LYS 13 55.161 -6.269 7.817 101 2HG LYS 13 HG1 LYS 13 54.571 -7.654 6.901 102 1HD LYS 13 HD2 LYS 13 56.521 -8.780 7.137 103 2HD LYS 13 HD1 LYS 13 57.483 -7.350 6.757 104 1HE LYS 13 HE2 LYS 13 57.831 -6.878 8.957 105 2HE LYS 13 HE1 LYS 13 56.133 -7.187 9.372 106 1HZ LYS 13 HZ3 LYS 13 57.807 -9.447 8.547 107 2HZ LYS 13 HZ2 LYS 13 58.010 -8.839 10.120 108 3HZ LYS 13 HZ1 LYS 13 56.493 -9.416 9.618 109 H THR 14 HN THR 14 55.108 -4.069 8.376 110 HA THR 14 HA THR 14 52.289 -3.464 7.817 111 HB THR 14 HB THR 14 52.051 -3.845 10.079 112 HG1 THR 14 HG1 THR 14 53.828 -3.122 11.524 113 1HG2 THR 14 HG21 THR 14 53.796 -5.577 9.070 114 2HG2 THR 14 HG23 THR 14 54.896 -4.790 10.201 115 3HG2 THR 14 HG22 THR 14 53.433 -5.575 10.795 116 H ALA 15 HN ALA 15 55.288 -1.866 7.690 117 HA ALA 15 HA ALA 15 54.876 0.668 8.848 118 1HB ALA 15 HB3 ALA 15 56.240 -0.187 6.291 119 2HB ALA 15 HB2 ALA 15 56.539 1.323 7.146 120 3HB ALA 15 HB1 ALA 15 56.948 -0.213 7.906 121 H GLU 16 HN GLU 16 55.271 1.914 6.035 122 HA GLU 16 HA GLU 16 52.833 1.865 4.583 123 1HB GLU 16 HB2 GLU 16 52.939 3.354 7.097 124 2HB GLU 16 HB1 GLU 16 52.565 4.415 5.735 125 1HG GLU 16 HG2 GLU 16 51.106 1.922 5.516 126 2HG GLU 16 HG1 GLU 16 50.783 2.698 7.067 127 H GLU 17 HN GLU 17 52.902 4.702 3.939 128 HA GLU 17 HA GLU 17 55.445 4.743 2.423 129 1HB GLU 17 HB2 GLU 17 54.289 6.700 1.304 130 2HB GLU 17 HB1 GLU 17 53.378 5.192 1.224 131 1HG GLU 17 HG2 GLU 17 51.798 5.900 2.771 132 2HG GLU 17 HG1 GLU 17 52.910 7.033 3.542 133 H ARG 18 HN ARG 18 54.802 5.507 5.432 134 HA ARG 18 HA ARG 18 55.874 8.259 5.523 135 1HB ARG 18 HB2 ARG 18 55.603 7.719 8.060 136 2HB ARG 18 HB1 ARG 18 54.142 7.817 7.079 137 1HG ARG 18 HG2 ARG 18 53.856 5.487 7.036 138 2HG ARG 18 HG1 ARG 18 55.549 5.174 7.422 139 1HD ARG 18 HD2 ARG 18 54.773 4.849 9.553 140 2HD ARG 18 HD1 ARG 18 54.707 6.621 9.629 141 HE ARG 18 HE ARG 18 52.392 4.883 8.869 142 1HH1 ARG 18 HH11 ARG 18 52.100 7.597 7.774 143 2HH1 ARG 18 HH12 ARG 18 51.328 8.460 9.061 144 1HH2 ARG 18 HH21 ARG 18 52.114 6.102 11.475 145 2HH2 ARG 18 HH22 ARG 18 51.329 7.611 11.152 146 H GLU 19 HN GLU 19 56.929 6.217 8.055 147 HA GLU 19 HA GLU 19 59.596 6.809 8.085 148 1HB GLU 19 HB2 GLU 19 59.589 4.121 8.755 149 2HB GLU 19 HB1 GLU 19 59.250 5.434 9.866 150 1HG GLU 19 HG2 GLU 19 56.864 5.188 9.509 151 2HG GLU 19 HG1 GLU 19 57.133 4.020 8.212 152 H ILE 20 HN ILE 20 57.885 4.752 5.855 153 HA ILE 20 HA ILE 20 60.146 3.374 4.712 154 HB ILE 20 HB ILE 20 57.339 3.532 4.600 155 1HG1 ILE 20 HG12 ILE 20 58.048 1.578 2.778 156 2HG1 ILE 20 HG11 ILE 20 59.478 1.721 3.801 157 1HG2 ILE 20 HG21 ILE 20 58.608 4.163 1.946 158 2HG2 ILE 20 HG23 ILE 20 57.046 3.352 2.055 159 3HG2 ILE 20 HG22 ILE 20 57.252 4.967 2.733 160 1HD1 ILE 20 HD11 ILE 20 57.665 1.751 5.734 161 2HD1 ILE 20 HD13 ILE 20 56.695 0.906 4.529 162 3HD1 ILE 20 HD12 ILE 20 58.236 0.228 5.056 163 H ARG 21 HN ARG 21 58.505 6.449 4.107 164 HA ARG 21 HA ARG 21 60.234 7.040 1.765 165 1HB ARG 21 HB2 ARG 21 58.722 8.812 1.421 166 2HB ARG 21 HB1 ARG 21 57.704 7.618 2.219 167 1HG ARG 21 HG2 ARG 21 57.225 9.573 3.420 168 2HG ARG 21 HG1 ARG 21 58.462 8.814 4.418 169 1HD ARG 21 HD2 ARG 21 59.623 10.754 4.246 170 2HD ARG 21 HD1 ARG 21 59.903 10.321 2.547 171 HE ARG 21 HE ARG 21 57.621 11.442 2.118 172 1HH1 ARG 21 HH21 ARG 21 58.149 11.948 5.307 173 2HH1 ARG 21 HH22 ARG 21 58.216 13.678 5.245 174 1HH2 ARG 21 HH11 ARG 21 58.365 13.812 1.784 175 2HH2 ARG 21 HH12 ARG 21 58.337 14.733 3.250 176 H LYS 22 HN LYS 22 59.928 7.758 5.149 177 HA LYS 22 HA LYS 22 61.803 9.975 5.226 178 1HB LYS 22 HB2 LYS 22 60.117 9.845 6.902 179 2HB LYS 22 HB1 LYS 22 60.437 8.138 7.196 180 1HG LYS 22 HG2 LYS 22 61.354 9.770 8.944 181 2HG LYS 22 HG1 LYS 22 62.500 8.600 8.290 182 1HD LYS 22 HD2 LYS 22 63.669 10.651 8.199 183 2HD LYS 22 HD1 LYS 22 63.084 10.431 6.554 184 1HE LYS 22 HE2 LYS 22 61.721 12.252 6.683 185 2HE LYS 22 HE1 LYS 22 61.159 11.815 8.309 186 1HZ LYS 22 HZ2 LYS 22 63.908 12.791 7.802 187 2HZ LYS 22 HZ1 LYS 22 62.629 13.858 8.141 188 3HZ LYS 22 HZ3 LYS 22 63.086 12.691 9.285 189 H ALA 23 HN ALA 23 61.951 6.528 6.114 190 HA ALA 23 HA ALA 23 64.476 6.257 7.213 191 1HB ALA 23 HB2 ALA 23 62.715 4.627 5.434 192 2HB ALA 23 HB1 ALA 23 64.350 4.034 5.728 193 3HB ALA 23 HB3 ALA 23 63.251 4.297 7.082 194 H TYR 24 HN TYR 24 63.678 6.429 3.754 195 HA TYR 24 HA TYR 24 66.446 6.206 2.879 196 1HB TYR 24 HB2 TYR 24 64.315 5.555 1.646 197 2HB TYR 24 HB1 TYR 24 63.995 7.272 1.432 198 HD1 TYR 24 HD2 TYR 24 67.288 5.517 1.361 199 HD2 TYR 24 HD1 TYR 24 64.293 7.624 -0.885 200 HE1 TYR 24 HE2 TYR 24 68.807 5.590 -0.597 201 HE2 TYR 24 HE1 TYR 24 65.812 7.698 -2.842 202 HH TYR 24 HH TYR 24 68.248 7.585 -3.282 203 H LYS 25 HN LYS 25 64.053 8.755 3.314 204 HA LYS 25 HA LYS 25 65.371 11.028 2.371 205 1HB LYS 25 HB2 LYS 25 63.227 10.227 4.073 206 2HB LYS 25 HB1 LYS 25 64.095 11.529 4.884 207 1HG LYS 25 HG2 LYS 25 63.168 13.034 3.489 208 2HG LYS 25 HG1 LYS 25 63.845 12.178 2.100 209 1HD LYS 25 HD2 LYS 25 61.948 10.687 2.008 210 2HD LYS 25 HD1 LYS 25 61.310 11.336 3.519 211 1HE LYS 25 HE2 LYS 25 60.053 12.437 1.807 212 2HE LYS 25 HE1 LYS 25 61.279 13.626 2.287 213 1HZ LYS 25 HZ2 LYS 25 61.901 11.633 0.211 214 2HZ LYS 25 HZ1 LYS 25 61.021 13.025 -0.207 215 3HZ LYS 25 HZ3 LYS 25 62.576 13.174 0.453 216 H ARG 26 HN ARG 26 65.840 9.271 5.416 217 HA ARG 26 HA ARG 26 67.614 11.223 6.614 218 1HB ARG 26 HB2 ARG 26 67.170 8.269 7.148 219 2HB ARG 26 HB1 ARG 26 67.914 9.415 8.264 220 1HG ARG 26 HG2 ARG 26 65.227 10.119 7.174 221 2HG ARG 26 HG1 ARG 26 65.301 8.832 8.380 222 1HD ARG 26 HD2 ARG 26 66.950 11.178 9.068 223 2HD ARG 26 HD1 ARG 26 65.209 11.513 8.996 224 HE ARG 26 HE ARG 26 65.840 9.015 10.373 225 1HH1 ARG 26 HH11 ARG 26 63.713 11.331 10.762 226 2HH1 ARG 26 HH12 ARG 26 64.111 11.795 12.382 227 1HH2 ARG 26 HH21 ARG 26 67.120 10.074 12.421 228 2HH2 ARG 26 HH22 ARG 26 66.039 11.084 13.322 229 H LEU 27 HN LEU 27 68.201 8.010 5.119 230 HA LEU 27 HA LEU 27 71.099 8.341 5.246 231 1HB LEU 27 HB2 LEU 27 71.114 6.125 4.439 232 2HB LEU 27 HB1 LEU 27 69.608 6.209 5.352 233 HG LEU 27 HG LEU 27 68.565 6.905 3.061 234 1HD1 LEU 27 HD11 LEU 27 71.311 6.033 2.365 235 2HD1 LEU 27 HD13 LEU 27 70.023 5.364 1.364 236 3HD1 LEU 27 HD12 LEU 27 70.221 7.111 1.495 237 1HD2 LEU 27 HD23 LEU 27 69.126 4.358 4.329 238 2HD2 LEU 27 HD22 LEU 27 67.671 4.876 3.478 239 3HD2 LEU 27 HD21 LEU 27 69.015 4.170 2.579 240 H ALA 28 HN ALA 28 68.566 8.661 2.831 241 HA ALA 28 HA ALA 28 70.276 8.948 0.548 242 1HB ALA 28 HB3 ALA 28 67.777 8.378 0.793 243 2HB ALA 28 HB2 ALA 28 67.523 10.113 0.977 244 3HB ALA 28 HB1 ALA 28 68.208 9.475 -0.519 245 H MET 29 HN MET 29 68.757 11.292 2.776 246 HA MET 29 HA MET 29 69.776 13.620 1.387 247 1HB MET 29 HB2 MET 29 68.990 14.783 3.335 248 2HB MET 29 HB1 MET 29 67.889 13.421 3.130 249 1HG MET 29 HG2 MET 29 68.369 13.043 5.330 250 2HG MET 29 HG1 MET 29 69.807 12.266 4.668 251 1HE MET 29 HE1 MET 29 68.228 15.474 5.051 252 2HE MET 29 HE3 MET 29 68.930 16.133 6.535 253 3HE MET 29 HE2 MET 29 69.570 16.614 4.965 254 H LYS 30 HN LYS 30 71.059 11.294 3.623 255 HA LYS 30 HA LYS 30 73.448 12.911 4.281 256 1HB LYS 30 HB2 LYS 30 71.986 10.650 5.308 257 2HB LYS 30 HB1 LYS 30 73.675 10.190 5.081 258 1HG LYS 30 HG2 LYS 30 74.349 11.470 6.813 259 2HG LYS 30 HG1 LYS 30 73.425 12.856 6.233 260 1HD LYS 30 HD2 LYS 30 71.592 12.347 7.514 261 2HD LYS 30 HD1 LYS 30 71.863 10.608 7.397 262 1HE LYS 30 HE2 LYS 30 74.085 11.456 8.814 263 2HE LYS 30 HE1 LYS 30 72.791 12.491 9.451 264 1HZ LYS 30 HZ2 LYS 30 72.465 9.573 9.038 265 2HZ LYS 30 HZ1 LYS 30 72.977 10.235 10.517 266 3HZ LYS 30 HZ3 LYS 30 71.444 10.622 9.901 267 H TYR 31 HN TYR 31 72.416 10.601 1.914 268 HA TYR 31 HA TYR 31 75.260 10.089 1.136 269 1HB TYR 31 HB2 TYR 31 72.743 8.534 1.146 270 2HB TYR 31 HB1 TYR 31 73.757 8.310 -0.282 271 HD1 TYR 31 HD1 TYR 31 75.186 9.282 2.955 272 HD2 TYR 31 HD2 TYR 31 74.363 5.998 0.314 273 HE1 TYR 31 HE1 TYR 31 76.728 7.854 4.261 274 HE2 TYR 31 HE2 TYR 31 75.905 4.565 1.622 275 HH TYR 31 HH TYR 31 76.762 4.603 4.142 276 H HIS 32 HN HIS 32 72.893 12.132 0.434 277 HA HIS 32 HA HIS 32 72.470 12.149 -2.352 278 1HB HIS 32 HB2 HIS 32 71.839 14.453 -1.803 279 2HB HIS 32 HB1 HIS 32 71.396 13.395 -0.481 280 HD1 HIS 32 HD1 HIS 32 72.481 16.557 -0.495 281 HD2 HIS 32 HD2 HIS 32 74.343 13.145 1.008 282 HE1 HIS 32 HE1 HIS 32 74.130 17.355 1.253 283 HA PRO 33 HA PRO 33 76.091 13.841 -4.162 284 1HB PRO 33 HB2 PRO 33 76.231 16.579 -4.289 285 2HB PRO 33 HB1 PRO 33 75.216 15.589 -5.355 286 1HG PRO 33 HG2 PRO 33 74.464 17.141 -2.943 287 2HG PRO 33 HG1 PRO 33 73.573 16.890 -4.448 288 1HD PRO 33 HD2 PRO 33 73.044 15.615 -2.135 289 2HD PRO 33 HD1 PRO 33 72.666 14.935 -3.731 290 H ASP 34 HN ASP 34 76.466 13.149 -1.591 291 HA ASP 34 HA ASP 34 78.422 15.110 -0.450 292 1HB ASP 34 HB2 ASP 34 77.328 14.603 1.489 293 2HB ASP 34 HB1 ASP 34 76.276 13.507 0.603 294 H ARG 35 HN ARG 35 77.806 11.716 -1.237 295 HA ARG 35 HA ARG 35 80.711 11.287 -1.731 296 1HB ARG 35 HB2 ARG 35 80.488 9.163 -0.437 297 2HB ARG 35 HB1 ARG 35 80.166 10.579 0.565 298 1HG ARG 35 HG2 ARG 35 78.362 9.146 1.073 299 2HG ARG 35 HG1 ARG 35 77.682 10.230 -0.140 300 1HD ARG 35 HD2 ARG 35 77.235 8.464 -1.452 301 2HD ARG 35 HD1 ARG 35 78.965 8.075 -1.507 302 HE ARG 35 HE ARG 35 76.993 6.877 0.329 303 1HH1 ARG 35 HH21 ARG 35 79.974 8.034 1.050 304 2HH1 ARG 35 HH22 ARG 35 80.733 6.505 1.336 305 1HH2 ARG 35 HH11 ARG 35 78.096 4.654 0.064 306 2HH2 ARG 35 HH12 ARG 35 79.672 4.594 0.780 307 H ASN 36 HN ASN 36 77.317 10.411 -2.273 308 HA ASN 36 HA ASN 36 77.467 8.118 -3.830 309 1HB ASN 36 HB2 ASN 36 75.803 10.599 -3.763 310 2HB ASN 36 HB1 ASN 36 75.579 9.504 -5.126 311 1HD2 ASN 36 HD22 ASN 36 73.239 8.210 -2.626 312 2HD2 ASN 36 HD21 ASN 36 73.356 9.504 -3.717 313 H GLN 37 HN GLN 37 78.596 11.338 -4.625 314 HA GLN 37 HA GLN 37 78.758 11.061 -7.474 315 1HB GLN 37 HB2 GLN 37 80.540 12.612 -5.565 316 2HB GLN 37 HB1 GLN 37 80.259 12.977 -7.268 317 1HG GLN 37 HG2 GLN 37 77.699 12.803 -6.106 318 2HG GLN 37 HG1 GLN 37 78.676 13.729 -4.966 319 1HE2 GLN 37 HE22 GLN 37 77.773 16.468 -7.085 320 2HE2 GLN 37 HE21 GLN 37 77.396 15.678 -5.631 321 H GLY 38 HN GLY 38 80.419 9.446 -4.971 322 1HA GLY 38 HA2 GLY 38 82.554 8.628 -6.906 323 2HA GLY 38 HA1 GLY 38 82.880 8.829 -5.183 324 H ASP 39 HN ASP 39 79.913 7.418 -6.445 325 HA ASP 39 HA ASP 39 80.804 4.760 -5.371 326 1HB ASP 39 HB2 ASP 39 78.249 6.345 -5.086 327 2HB ASP 39 HB1 ASP 39 78.271 4.601 -4.818 328 H LYS 40 HN LYS 40 81.380 4.355 -7.703 329 HA LYS 40 HA LYS 40 79.153 4.172 -9.631 330 1HB LYS 40 HB2 LYS 40 81.422 4.950 -10.233 331 2HB LYS 40 HB1 LYS 40 82.070 3.380 -9.759 332 1HG LYS 40 HG2 LYS 40 79.877 2.961 -11.560 333 2HG LYS 40 HG1 LYS 40 80.991 4.122 -12.284 334 1HD LYS 40 HD2 LYS 40 82.783 2.624 -12.256 335 2HD LYS 40 HD1 LYS 40 82.064 1.636 -10.984 336 1HE LYS 40 HE2 LYS 40 81.089 1.833 -13.859 337 2HE LYS 40 HE1 LYS 40 81.871 0.429 -13.103 338 1HZ LYS 40 HZ1 LYS 40 79.975 0.937 -11.322 339 2HZ LYS 40 HZ3 LYS 40 79.181 1.482 -12.718 340 3HZ LYS 40 HZ2 LYS 40 79.741 -0.120 -12.633 341 H GLU 41 HN GLU 41 78.699 2.595 -7.411 342 HA GLU 41 HA GLU 41 78.224 -0.010 -8.517 343 1HB GLU 41 HB2 GLU 41 79.900 -1.028 -6.694 344 2HB GLU 41 HB1 GLU 41 80.476 -0.592 -8.301 345 1HG GLU 41 HG2 GLU 41 81.385 1.473 -7.528 346 2HG GLU 41 HG1 GLU 41 80.529 1.361 -5.992 347 H ALA 42 HN ALA 42 78.827 1.964 -5.654 348 HA ALA 42 HA ALA 42 76.859 0.469 -4.026 349 1HB ALA 42 HB2 ALA 42 79.008 2.464 -3.688 350 2HB ALA 42 HB1 ALA 42 77.606 2.747 -2.656 351 3HB ALA 42 HB3 ALA 42 78.464 1.208 -2.576 352 H GLU 43 HN GLU 43 77.036 3.188 -6.169 353 HA GLU 43 HA GLU 43 75.120 5.017 -5.329 354 1HB GLU 43 HB2 GLU 43 76.289 5.037 -7.512 355 2HB GLU 43 HB1 GLU 43 75.296 3.676 -8.038 356 1HG GLU 43 HG2 GLU 43 73.523 4.995 -8.478 357 2HG GLU 43 HG1 GLU 43 73.702 5.879 -6.963 358 H ALA 44 HN ALA 44 74.496 1.976 -7.022 359 HA ALA 44 HA ALA 44 71.746 2.164 -7.202 360 1HB ALA 44 HB2 ALA 44 73.680 -0.129 -6.957 361 2HB ALA 44 HB1 ALA 44 71.956 -0.431 -7.175 362 3HB ALA 44 HB3 ALA 44 72.858 0.462 -8.401 363 H LYS 45 HN LYS 45 73.536 0.440 -4.591 364 HA LYS 45 HA LYS 45 71.392 -0.382 -3.031 365 1HB LYS 45 HB2 LYS 45 73.641 -0.870 -2.362 366 2HB LYS 45 HB1 LYS 45 74.045 0.849 -2.232 367 1HG LYS 45 HG2 LYS 45 72.512 1.123 -0.365 368 2HG LYS 45 HG1 LYS 45 71.917 -0.527 -0.557 369 1HD LYS 45 HD2 LYS 45 73.612 -1.352 0.680 370 2HD LYS 45 HD1 LYS 45 74.809 -0.509 -0.303 371 1HE LYS 45 HE2 LYS 45 75.125 1.018 1.339 372 2HE LYS 45 HE1 LYS 45 73.391 1.394 1.360 373 1HZ LYS 45 HZ3 LYS 45 74.153 -1.185 2.458 374 2HZ LYS 45 HZ2 LYS 45 74.633 0.165 3.369 375 3HZ LYS 45 HZ1 LYS 45 72.991 -0.077 3.004 376 H PHE 46 HN PHE 46 72.455 2.896 -3.638 377 HA PHE 46 HA PHE 46 71.009 4.109 -1.423 378 1HB PHE 46 HB2 PHE 46 71.969 5.309 -4.039 379 2HB PHE 46 HB1 PHE 46 71.673 6.169 -2.527 380 HD1 PHE 46 HD1 PHE 46 72.811 3.623 -0.922 381 HD2 PHE 46 HD2 PHE 46 74.318 6.196 -4.012 382 HE1 PHE 46 HE1 PHE 46 75.131 3.134 -0.194 383 HE2 PHE 46 HE2 PHE 46 76.639 5.706 -3.284 384 HZ PHE 46 HZ PHE 46 77.043 4.175 -1.379 385 H LYS 47 HN LYS 47 70.374 3.861 -4.963 386 HA LYS 47 HA LYS 47 67.611 4.834 -4.485 387 1HB LYS 47 HB2 LYS 47 67.769 5.435 -6.685 388 2HB LYS 47 HB1 LYS 47 69.474 5.025 -6.547 389 1HG LYS 47 HG2 LYS 47 67.284 3.105 -7.394 390 2HG LYS 47 HG1 LYS 47 68.411 3.906 -8.488 391 1HD LYS 47 HD2 LYS 47 70.100 2.796 -6.609 392 2HD LYS 47 HD1 LYS 47 68.831 1.578 -6.750 393 1HE LYS 47 HE2 LYS 47 70.687 1.234 -8.416 394 2HE LYS 47 HE1 LYS 47 69.117 1.513 -9.194 395 1HZ LYS 47 HZ3 LYS 47 70.613 3.897 -8.493 396 2HZ LYS 47 HZ2 LYS 47 71.297 2.957 -9.733 397 3HZ LYS 47 HZ1 LYS 47 69.714 3.555 -9.889 398 H GLU 48 HN GLU 48 69.314 1.928 -4.461 399 HA GLU 48 HA GLU 48 67.416 0.041 -5.491 400 1HB GLU 48 HB2 GLU 48 69.709 0.114 -3.547 401 2HB GLU 48 HB1 GLU 48 68.731 -1.345 -3.647 402 1HG GLU 48 HG2 GLU 48 69.915 -0.034 -6.096 403 2HG GLU 48 HG1 GLU 48 70.797 -1.246 -5.165 404 H ILE 49 HN ILE 49 67.916 1.747 -2.519 405 HA ILE 49 HA ILE 49 66.095 0.385 -0.787 406 HB ILE 49 HB ILE 49 66.963 3.268 -1.027 407 1HG1 ILE 49 HG12 ILE 49 68.022 1.474 1.076 408 2HG1 ILE 49 HG11 ILE 49 68.526 1.106 -0.573 409 1HG2 ILE 49 HG23 ILE 49 64.902 2.317 0.517 410 2HG2 ILE 49 HG22 ILE 49 66.271 2.272 1.628 411 3HG2 ILE 49 HG21 ILE 49 65.826 3.784 0.837 412 1HD1 ILE 49 HD11 ILE 49 68.699 3.890 0.591 413 2HD1 ILE 49 HD13 ILE 49 70.025 2.732 0.698 414 3HD1 ILE 49 HD12 ILE 49 69.457 3.280 -0.877 415 H LYS 50 HN LYS 50 65.763 3.264 -2.825 416 HA LYS 50 HA LYS 50 63.124 4.031 -2.395 417 1HB LYS 50 HB2 LYS 50 64.788 3.835 -4.920 418 2HB LYS 50 HB1 LYS 50 63.211 4.619 -4.902 419 1HG LYS 50 HG2 LYS 50 64.318 5.825 -2.759 420 2HG LYS 50 HG1 LYS 50 65.779 5.506 -3.697 421 1HD LYS 50 HD2 LYS 50 65.294 7.291 -4.977 422 2HD LYS 50 HD1 LYS 50 63.851 6.449 -5.539 423 1HE LYS 50 HE2 LYS 50 62.784 7.291 -3.297 424 2HE LYS 50 HE1 LYS 50 64.105 8.476 -3.326 425 1HZ LYS 50 HZ1 LYS 50 63.443 8.735 -5.786 426 2HZ LYS 50 HZ3 LYS 50 61.968 8.044 -5.314 427 3HZ LYS 50 HZ2 LYS 50 62.489 9.498 -4.606 428 H GLU 51 HN GLU 51 64.185 1.613 -4.819 429 HA GLU 51 HA GLU 51 61.967 0.653 -6.016 430 1HB GLU 51 HB2 GLU 51 64.045 -0.461 -6.271 431 2HB GLU 51 HB1 GLU 51 64.167 -0.786 -4.545 432 1HG GLU 51 HG2 GLU 51 62.694 -2.569 -4.626 433 2HG GLU 51 HG1 GLU 51 61.830 -1.923 -6.019 434 H ALA 52 HN ALA 52 62.764 0.068 -2.617 435 HA ALA 52 HA ALA 52 60.895 -1.711 -1.690 436 1HB ALA 52 HB2 ALA 52 61.592 1.037 -0.603 437 2HB ALA 52 HB1 ALA 52 60.892 -0.269 0.351 438 3HB ALA 52 HB3 ALA 52 62.506 -0.446 -0.334 439 H TYR 53 HN TYR 53 60.225 1.549 -2.878 440 HA TYR 53 HA TYR 53 57.586 1.920 -2.004 441 1HB TYR 53 HB2 TYR 53 58.951 2.631 -4.616 442 2HB TYR 53 HB1 TYR 53 57.438 3.357 -4.048 443 HD1 TYR 53 HD1 TYR 53 57.740 3.600 -1.239 444 HD2 TYR 53 HD2 TYR 53 60.687 4.212 -4.287 445 HE1 TYR 53 HE1 TYR 53 59.021 5.028 0.313 446 HE2 TYR 53 HE2 TYR 53 61.975 5.656 -2.744 447 HH TYR 53 HH TYR 53 60.763 7.023 -0.049 448 H GLU 54 HN GLU 54 58.797 -0.383 -4.319 449 HA GLU 54 HA GLU 54 56.290 -0.893 -5.680 450 1HB GLU 54 HB2 GLU 54 58.408 -2.963 -5.085 451 2HB GLU 54 HB1 GLU 54 57.437 -2.779 -6.545 452 1HG GLU 54 HG2 GLU 54 58.887 -0.362 -6.180 453 2HG GLU 54 HG1 GLU 54 60.016 -1.698 -5.979 454 H VAL 55 HN VAL 55 57.681 -1.627 -2.601 455 HA VAL 55 HA VAL 55 55.548 -3.579 -1.975 456 HB VAL 55 HB VAL 55 58.338 -3.276 -1.384 457 1HG1 VAL 55 HG11 VAL 55 56.564 -2.778 0.935 458 2HG1 VAL 55 HG13 VAL 55 57.829 -3.972 1.170 459 3HG1 VAL 55 HG12 VAL 55 58.246 -2.338 0.682 460 1HG2 VAL 55 HG23 VAL 55 56.760 -5.341 -1.813 461 2HG2 VAL 55 HG22 VAL 55 58.226 -5.514 -0.861 462 3HG2 VAL 55 HG21 VAL 55 56.666 -5.358 -0.059 463 H LEU 56 HN LEU 56 56.956 -0.508 -0.963 464 HA LEU 56 HA LEU 56 54.831 -0.159 1.066 465 1HB LEU 56 HB2 LEU 56 56.190 2.295 0.772 466 2HB LEU 56 HB1 LEU 56 56.439 1.091 2.031 467 HG LEU 56 HG LEU 56 57.831 0.762 -0.601 468 1HD1 LEU 56 HD13 LEU 56 58.079 3.140 0.494 469 2HD1 LEU 56 HD12 LEU 56 59.187 2.281 1.563 470 3HD1 LEU 56 HD11 LEU 56 59.471 2.298 -0.175 471 1HD2 LEU 56 HD22 LEU 56 57.743 -0.732 1.674 472 2HD2 LEU 56 HD21 LEU 56 59.114 -0.725 0.566 473 3HD2 LEU 56 HD23 LEU 56 59.140 0.290 2.007 474 H THR 57 HN THR 57 54.965 0.257 -2.245 475 HA THR 57 HA THR 57 52.631 2.088 -2.136 476 HB THR 57 HB THR 57 53.628 3.805 -3.372 477 HG1 THR 57 HG1 THR 57 55.638 3.388 -4.514 478 1HG2 THR 57 HG21 THR 57 55.886 2.574 -1.765 479 2HG2 THR 57 HG23 THR 57 55.919 4.207 -2.429 480 3HG2 THR 57 HG22 THR 57 54.727 3.776 -1.202 481 H ASP 58 HN ASP 58 53.059 -0.777 -2.951 482 HA ASP 58 HA ASP 58 51.744 -0.585 -5.596 483 1HB ASP 58 HB2 ASP 58 54.517 -1.134 -5.243 484 2HB ASP 58 HB1 ASP 58 53.739 -2.626 -5.777 485 H SER 59 HN SER 59 50.023 -1.766 -5.428 486 HA SER 59 HA SER 59 49.218 -3.414 -3.457 487 1HB SER 59 HB2 SER 59 48.790 -3.668 -6.434 488 2HB SER 59 HB1 SER 59 47.832 -4.555 -5.251 489 HG SER 59 HG SER 59 46.691 -2.803 -5.126 490 H GLN 60 HN GLN 60 51.154 -4.537 -6.246 491 HA GLN 60 HA GLN 60 51.216 -7.300 -5.543 492 1HB GLN 60 HB2 GLN 60 51.935 -6.443 -7.704 493 2HB GLN 60 HB1 GLN 60 53.211 -5.492 -6.946 494 1HG GLN 60 HG2 GLN 60 53.730 -8.027 -5.994 495 2HG GLN 60 HG1 GLN 60 53.170 -8.349 -7.635 496 1HE2 GLN 60 HE22 GLN 60 56.504 -7.674 -8.637 497 2HE2 GLN 60 HE21 GLN 60 55.295 -8.854 -8.480 498 H LYS 61 HN LYS 61 54.302 -5.682 -5.440 499 HA LYS 61 HA LYS 61 55.454 -7.068 -3.320 500 1HB LYS 61 HB2 LYS 61 55.923 -4.799 -4.969 501 2HB LYS 61 HB1 LYS 61 56.329 -4.355 -3.323 502 1HG LYS 61 HG2 LYS 61 58.229 -5.384 -4.616 503 2HG LYS 61 HG1 LYS 61 57.849 -6.191 -3.095 504 1HD LYS 61 HD2 LYS 61 56.186 -7.348 -5.092 505 2HD LYS 61 HD1 LYS 61 57.822 -7.289 -5.748 506 1HE LYS 61 HE2 LYS 61 57.484 -8.220 -2.919 507 2HE LYS 61 HE1 LYS 61 57.064 -9.338 -4.232 508 1HZ LYS 61 HZ3 LYS 61 59.595 -7.790 -4.130 509 2HZ LYS 61 HZ2 LYS 61 59.455 -9.393 -3.586 510 3HZ LYS 61 HZ1 LYS 61 59.191 -9.022 -5.222 511 H ARG 62 HN ARG 62 53.164 -4.342 -3.033 512 HA ARG 62 HA ARG 62 53.740 -4.024 -0.180 513 1HB ARG 62 HB2 ARG 62 52.219 -2.272 -0.311 514 2HB ARG 62 HB1 ARG 62 52.680 -2.396 -2.005 515 1HG ARG 62 HG2 ARG 62 50.725 -3.831 -2.434 516 2HG ARG 62 HG1 ARG 62 50.274 -3.731 -0.737 517 1HD ARG 62 HD2 ARG 62 50.443 -1.093 -1.259 518 2HD ARG 62 HD1 ARG 62 50.004 -1.673 -2.878 519 HE ARG 62 HE ARG 62 47.980 -2.647 -1.938 520 1HH1 ARG 62 HH21 ARG 62 50.066 -1.570 0.543 521 2HH1 ARG 62 HH22 ARG 62 48.789 -1.117 1.623 522 1HH2 ARG 62 HH11 ARG 62 46.264 -1.773 -0.660 523 2HH2 ARG 62 HH12 ARG 62 46.638 -1.234 0.943 524 H ALA 63 HN ALA 63 51.766 -6.119 -2.091 525 HA ALA 63 HA ALA 63 49.625 -6.829 -0.458 526 1HB ALA 63 HB3 ALA 63 50.631 -7.764 -2.729 527 2HB ALA 63 HB2 ALA 63 51.388 -8.948 -1.664 528 3HB ALA 63 HB1 ALA 63 49.630 -8.807 -1.719 529 H ALA 64 HN ALA 64 53.023 -7.870 -0.211 530 HA ALA 64 HA ALA 64 52.938 -9.655 1.934 531 1HB ALA 64 HB3 ALA 64 54.894 -8.754 0.551 532 2HB ALA 64 HB2 ALA 64 54.890 -7.353 1.624 533 3HB ALA 64 HB1 ALA 64 55.223 -8.959 2.271 534 H TYR 65 HN TYR 65 52.512 -6.184 1.873 535 HA TYR 65 HA TYR 65 52.708 -5.525 4.629 536 1HB TYR 65 HB2 TYR 65 52.508 -4.049 2.559 537 2HB TYR 65 HB1 TYR 65 50.790 -4.448 2.536 538 HD1 TYR 65 HD2 TYR 65 49.615 -4.202 4.960 539 HD2 TYR 65 HD1 TYR 65 53.081 -2.049 3.621 540 HE1 TYR 65 HE2 TYR 65 49.139 -2.417 6.609 541 HE2 TYR 65 HE1 TYR 65 52.602 -0.258 5.266 542 HH TYR 65 HH TYR 65 50.841 -0.541 7.828 543 H ASP 66 HN ASP 66 50.052 -6.826 2.703 544 HA ASP 66 HA ASP 66 48.127 -6.738 4.914 545 1HB ASP 66 HB2 ASP 66 46.602 -7.409 3.243 546 2HB ASP 66 HB1 ASP 66 47.804 -6.505 2.324 547 H GLN 67 HN GLN 67 50.586 -8.843 3.820 548 HA GLN 67 HA GLN 67 49.385 -11.178 5.257 549 1HB GLN 67 HB2 GLN 67 51.494 -10.827 3.112 550 2HB GLN 67 HB1 GLN 67 51.266 -12.360 3.956 551 1HG GLN 67 HG2 GLN 67 48.682 -11.626 3.242 552 2HG GLN 67 HG1 GLN 67 49.646 -11.147 1.845 553 1HE2 GLN 67 HE22 GLN 67 49.128 -15.100 2.685 554 2HE2 GLN 67 HE21 GLN 67 48.533 -13.904 3.735 555 H TYR 68 HN TYR 68 51.270 -8.613 5.942 556 HA TYR 68 HA TYR 68 52.925 -8.186 7.567 557 1HB TYR 68 HB2 TYR 68 51.620 -10.782 8.333 558 2HB TYR 68 HB1 TYR 68 52.977 -10.174 9.289 559 HD1 TYR 68 HD1 TYR 68 52.812 -8.050 10.506 560 HD2 TYR 68 HD2 TYR 68 49.488 -9.609 8.277 561 HE1 TYR 68 HE1 TYR 68 51.295 -6.465 11.662 562 HE2 TYR 68 HE2 TYR 68 47.970 -8.023 9.435 563 HH TYR 68 HH TYR 68 48.871 -6.310 12.207 564 H GLY 69 HN GLY 69 53.775 -9.392 5.044 565 1HA GLY 69 HA2 GLY 69 56.070 -9.889 4.442 566 2HA GLY 69 HA1 GLY 69 56.281 -10.662 6.015 567 H HIS 70 HN HIS 70 57.127 -12.190 4.014 568 HA HIS 70 HA HIS 70 54.973 -13.839 2.905 569 1HB HIS 70 HB2 HIS 70 56.943 -15.096 1.982 570 2HB HIS 70 HB1 HIS 70 57.009 -13.365 1.638 571 HD1 HIS 70 HD1 HIS 70 58.322 -15.808 4.262 572 HD2 HIS 70 HD2 HIS 70 59.363 -12.185 2.481 573 HE1 HIS 70 HE1 HIS 70 60.609 -15.197 5.165 574 H ALA 71 HN ALA 71 55.983 -13.608 5.955 575 HA ALA 71 HA ALA 71 56.591 -16.395 6.605 576 1HB ALA 71 HB1 ALA 71 57.278 -14.171 7.768 577 2HB ALA 71 HB3 ALA 71 55.675 -14.233 8.501 578 3HB ALA 71 HB2 ALA 71 56.831 -15.532 8.795 579 H ALA 72 HN ALA 72 53.737 -14.291 6.659 580 HA ALA 72 HA ALA 72 51.975 -15.905 8.187 581 1HB ALA 72 HB1 ALA 72 51.559 -14.056 5.818 582 2HB ALA 72 HB3 ALA 72 50.239 -14.682 6.806 583 3HB ALA 72 HB2 ALA 72 51.459 -13.632 7.528 584 H PHE 73 HN PHE 73 53.254 -16.353 4.986 585 HA PHE 73 HA PHE 73 51.406 -18.684 4.582 586 1HB PHE 73 HB2 PHE 73 51.954 -16.351 3.017 587 2HB PHE 73 HB1 PHE 73 52.576 -17.752 2.141 588 HD1 PHE 73 HD2 PHE 73 49.585 -16.998 4.294 589 HD2 PHE 73 HD1 PHE 73 51.077 -18.685 0.637 590 HE1 PHE 73 HE2 PHE 73 47.274 -17.618 3.639 591 HE2 PHE 73 HE1 PHE 73 48.767 -19.305 -0.019 592 HZ PHE 73 HZ PHE 73 46.866 -18.770 1.482 593 H GLU 74 HN GLU 74 54.430 -18.014 5.538 594 HA GLU 74 HA GLU 74 56.539 -19.077 5.310 595 1HB GLU 74 HB2 GLU 74 54.588 -21.359 4.850 596 2HB GLU 74 HB1 GLU 74 56.250 -21.526 5.418 597 1HG GLU 74 HG2 GLU 74 55.230 -19.670 7.175 598 2HG GLU 74 HG1 GLU 74 53.840 -20.721 6.899 599 H GLN 75 HN GLN 75 56.663 -21.621 3.597 600 HA GLN 75 HA GLN 75 57.809 -20.532 1.248 601 1HB GLN 75 HB2 GLN 75 57.111 -23.094 2.401 602 2HB GLN 75 HB1 GLN 75 56.798 -23.107 0.665 603 1HG GLN 75 HG2 GLN 75 59.014 -22.830 0.120 604 2HG GLN 75 HG1 GLN 75 59.358 -21.876 1.564 605 1HE2 GLN 75 HE22 GLN 75 60.142 -24.706 3.579 606 2HE2 GLN 75 HE21 GLN 75 59.741 -23.057 3.597 607 H GLY 76 HN GLY 76 56.726 -21.625 -0.980 608 1HA GLY 76 HA2 GLY 76 53.841 -21.179 -1.138 609 2HA GLY 76 HA1 GLY 76 54.790 -19.911 -1.916 610 H GLY 77 HN GLY 77 53.000 -21.833 -3.218 611 1HA GLY 77 HA2 GLY 77 54.485 -23.931 -4.483 612 2HA GLY 77 HA1 GLY 77 52.988 -23.233 -5.102 No H/Q in entry = 612 Start of MODEL 13 1 1H ALA 1 HT3 ALA 1 69.648 -14.178 -0.084 2 2H ALA 1 HT2 ALA 1 71.139 -14.218 -0.895 3 3H ALA 1 HT1 ALA 1 71.065 -14.553 0.768 4 HA ALA 1 HA ALA 1 71.862 -12.364 0.682 5 1HB ALA 1 HB3 ALA 1 70.316 -12.516 -1.776 6 2HB ALA 1 HB2 ALA 1 70.009 -10.998 -0.932 7 3HB ALA 1 HB1 ALA 1 71.657 -11.443 -1.373 8 H LYS 2 HN LYS 2 71.197 -11.721 2.695 9 HA LYS 2 HA LYS 2 68.373 -11.787 3.488 10 1HB LYS 2 HB2 LYS 2 70.702 -12.171 4.769 11 2HB LYS 2 HB1 LYS 2 70.505 -10.450 5.098 12 1HG LYS 2 HG2 LYS 2 68.009 -11.901 5.481 13 2HG LYS 2 HG1 LYS 2 69.297 -12.547 6.498 14 1HD LYS 2 HD2 LYS 2 69.106 -9.586 6.354 15 2HD LYS 2 HD1 LYS 2 67.803 -10.409 7.213 16 1HE LYS 2 HE2 LYS 2 69.327 -10.189 8.955 17 2HE LYS 2 HE1 LYS 2 69.891 -11.732 8.283 18 1HZ LYS 2 HZ3 LYS 2 70.847 -9.136 7.237 19 2HZ LYS 2 HZ2 LYS 2 71.614 -9.896 8.549 20 3HZ LYS 2 HZ1 LYS 2 71.541 -10.670 7.038 21 H GLN 3 HN GLN 3 67.012 -10.113 2.998 22 HA GLN 3 HA GLN 3 67.712 -7.351 3.542 23 1HB GLN 3 HB2 GLN 3 67.668 -6.639 1.141 24 2HB GLN 3 HB1 GLN 3 69.022 -7.709 1.505 25 1HG GLN 3 HG2 GLN 3 67.609 -9.641 0.711 26 2HG GLN 3 HG1 GLN 3 66.408 -8.466 0.175 27 1HE2 GLN 3 HE22 GLN 3 69.257 -7.092 -2.014 28 2HE2 GLN 3 HE21 GLN 3 68.634 -6.506 -0.549 29 H ASP 4 HN ASP 4 65.840 -6.013 3.434 30 HA ASP 4 HA ASP 4 63.360 -7.014 2.189 31 1HB ASP 4 HB2 ASP 4 62.686 -6.399 4.903 32 2HB ASP 4 HB1 ASP 4 62.495 -7.937 4.066 33 H TYR 5 HN TYR 5 62.795 -5.281 1.166 34 HA TYR 5 HA TYR 5 63.408 -2.640 1.461 35 1HB TYR 5 HB2 TYR 5 60.607 -2.715 0.921 36 2HB TYR 5 HB1 TYR 5 61.946 -2.495 -0.195 37 HD1 TYR 5 HD1 TYR 5 59.897 -5.077 1.497 38 HD2 TYR 5 HD2 TYR 5 62.651 -4.163 -1.658 39 HE1 TYR 5 HE1 TYR 5 59.530 -7.333 0.525 40 HE2 TYR 5 HE2 TYR 5 62.287 -6.411 -2.643 41 HH TYR 5 HH TYR 5 60.416 -8.863 -0.957 42 H TYR 6 HN TYR 6 60.414 -3.937 3.009 43 HA TYR 6 HA TYR 6 59.816 -1.705 4.591 44 1HB TYR 6 HB2 TYR 6 59.528 -4.664 4.924 45 2HB TYR 6 HB1 TYR 6 59.041 -3.585 6.237 46 HD1 TYR 6 HD2 TYR 6 57.467 -1.656 5.707 47 HD2 TYR 6 HD1 TYR 6 58.136 -4.931 3.010 48 HE1 TYR 6 HE2 TYR 6 55.375 -1.091 4.504 49 HE2 TYR 6 HE1 TYR 6 56.040 -4.365 1.804 50 HH TYR 6 HH TYR 6 54.147 -1.487 2.690 51 H GLU 7 HN GLU 7 62.359 -4.065 4.912 52 HA GLU 7 HA GLU 7 63.274 -2.981 7.519 53 1HB GLU 7 HB2 GLU 7 63.314 -5.450 6.380 54 2HB GLU 7 HB1 GLU 7 64.906 -4.867 5.889 55 1HG GLU 7 HG2 GLU 7 64.936 -4.090 8.472 56 2HG GLU 7 HG1 GLU 7 63.874 -5.493 8.606 57 H ILE 8 HN ILE 8 64.006 -2.882 4.069 58 HA ILE 8 HA ILE 8 66.572 -1.787 3.986 59 HB ILE 8 HB ILE 8 64.091 -1.323 2.356 60 1HG1 ILE 8 HG12 ILE 8 65.264 -3.600 2.448 61 2HG1 ILE 8 HG11 ILE 8 65.103 -2.902 0.836 62 1HG2 ILE 8 HG22 ILE 8 66.513 0.211 2.349 63 2HG2 ILE 8 HG21 ILE 8 66.409 -0.709 0.847 64 3HG2 ILE 8 HG23 ILE 8 65.099 0.378 1.307 65 1HD1 ILE 8 HD12 ILE 8 67.528 -1.954 2.058 66 2HD1 ILE 8 HD11 ILE 8 67.481 -3.716 2.119 67 3HD1 ILE 8 HD13 ILE 8 67.327 -2.882 0.572 68 H LEU 9 HN LEU 9 63.452 -0.189 4.402 69 HA LEU 9 HA LEU 9 64.654 2.482 4.837 70 1HB LEU 9 HB2 LEU 9 61.846 1.338 4.960 71 2HB LEU 9 HB1 LEU 9 62.240 3.057 4.943 72 HG LEU 9 HG LEU 9 63.132 1.124 2.802 73 1HD1 LEU 9 HD12 LEU 9 60.638 2.785 3.049 74 2HD1 LEU 9 HD11 LEU 9 61.280 2.341 1.468 75 3HD1 LEU 9 HD13 LEU 9 60.779 1.085 2.602 76 1HD2 LEU 9 HD23 LEU 9 63.317 4.061 3.297 77 2HD2 LEU 9 HD22 LEU 9 64.471 2.981 2.515 78 3HD2 LEU 9 HD21 LEU 9 63.053 3.544 1.632 79 H GLY 10 HN GLY 10 64.706 -0.164 6.658 80 1HA GLY 10 HA2 GLY 10 64.894 -0.568 8.949 81 2HA GLY 10 HA1 GLY 10 64.979 1.181 9.160 82 H VAL 11 HN VAL 11 62.217 -0.359 7.595 83 HA VAL 11 HA VAL 11 60.597 0.468 9.988 84 HB VAL 11 HB VAL 11 59.039 0.021 7.616 85 1HG1 VAL 11 HG13 VAL 11 59.741 2.458 9.250 86 2HG1 VAL 11 HG12 VAL 11 58.509 2.438 7.987 87 3HG1 VAL 11 HG11 VAL 11 58.319 1.427 9.421 88 1HG2 VAL 11 HG22 VAL 11 61.563 1.566 7.232 89 2HG2 VAL 11 HG21 VAL 11 60.673 0.550 6.096 90 3HG2 VAL 11 HG23 VAL 11 60.087 2.164 6.488 91 H SER 12 HN SER 12 58.347 -0.768 9.807 92 HA SER 12 HA SER 12 58.968 -3.628 10.072 93 1HB SER 12 HB2 SER 12 56.390 -2.099 10.460 94 2HB SER 12 HB1 SER 12 56.768 -3.696 11.098 95 HG SER 12 HG SER 12 58.471 -2.690 12.289 96 H LYS 13 HN LYS 13 57.937 -5.269 8.823 97 HA LYS 13 HA LYS 13 57.557 -4.822 6.085 98 1HB LYS 13 HB2 LYS 13 56.362 -6.983 6.156 99 2HB LYS 13 HB1 LYS 13 57.854 -7.001 7.097 100 1HG LYS 13 HG2 LYS 13 56.746 -7.346 9.043 101 2HG LYS 13 HG1 LYS 13 55.552 -6.104 8.668 102 1HD LYS 13 HD2 LYS 13 54.366 -7.691 7.189 103 2HD LYS 13 HD1 LYS 13 55.552 -8.937 7.583 104 1HE LYS 13 HE2 LYS 13 54.813 -8.165 10.093 105 2HE LYS 13 HE1 LYS 13 53.294 -7.917 9.209 106 1HZ LYS 13 HZ1 LYS 13 54.891 -10.340 8.719 107 2HZ LYS 13 HZ3 LYS 13 53.881 -10.276 10.080 108 3HZ LYS 13 HZ2 LYS 13 53.222 -10.099 8.524 109 H THR 14 HN THR 14 55.494 -4.120 8.742 110 HA THR 14 HA THR 14 53.220 -3.509 6.904 111 HB THR 14 HB THR 14 51.830 -3.938 8.763 112 HG1 THR 14 HG1 THR 14 52.384 -3.412 10.731 113 1HG2 THR 14 HG23 THR 14 53.728 -5.819 8.076 114 2HG2 THR 14 HG22 THR 14 53.884 -5.746 9.830 115 3HG2 THR 14 HG21 THR 14 52.325 -6.125 9.099 116 H ALA 15 HN ALA 15 55.810 -1.932 7.704 117 HA ALA 15 HA ALA 15 55.330 0.290 9.307 118 1HB ALA 15 HB1 ALA 15 56.760 0.014 6.664 119 2HB ALA 15 HB3 ALA 15 57.040 1.290 7.843 120 3HB ALA 15 HB2 ALA 15 57.414 -0.379 8.253 121 H GLU 16 HN GLU 16 55.804 2.210 6.978 122 HA GLU 16 HA GLU 16 53.240 2.478 5.607 123 1HB GLU 16 HB2 GLU 16 53.856 3.766 8.191 124 2HB GLU 16 HB1 GLU 16 53.281 4.886 6.952 125 1HG GLU 16 HG2 GLU 16 51.731 2.424 6.955 126 2HG GLU 16 HG1 GLU 16 51.698 3.204 8.537 127 H GLU 17 HN GLU 17 53.722 3.483 3.713 128 HA GLU 17 HA GLU 17 56.094 4.198 2.638 129 1HB GLU 17 HB2 GLU 17 54.775 5.902 1.309 130 2HB GLU 17 HB1 GLU 17 54.033 4.307 1.412 131 1HG GLU 17 HG2 GLU 17 52.959 5.460 3.619 132 2HG GLU 17 HG1 GLU 17 53.150 6.881 2.592 133 H ARG 18 HN ARG 18 54.182 6.476 4.641 134 HA ARG 18 HA ARG 18 55.792 8.764 4.413 135 1HB ARG 18 HB2 ARG 18 54.874 9.158 6.813 136 2HB ARG 18 HB1 ARG 18 53.707 8.921 5.513 137 1HG ARG 18 HG2 ARG 18 52.856 7.149 6.605 138 2HG ARG 18 HG1 ARG 18 54.418 6.339 6.507 139 1HD ARG 18 HD2 ARG 18 54.531 6.520 8.768 140 2HD ARG 18 HD1 ARG 18 54.729 8.269 8.536 141 HE ARG 18 HE ARG 18 52.018 7.954 8.278 142 1HH1 ARG 18 HH21 ARG 18 52.649 5.456 10.011 143 2HH1 ARG 18 HH22 ARG 18 52.280 6.078 11.586 144 1HH2 ARG 18 HH11 ARG 18 52.266 9.392 10.562 145 2HH2 ARG 18 HH12 ARG 18 52.062 8.306 11.897 146 H GLU 19 HN GLU 19 56.209 6.117 6.756 147 HA GLU 19 HA GLU 19 58.644 7.296 7.850 148 1HB GLU 19 HB2 GLU 19 58.540 5.141 9.176 149 2HB GLU 19 HB1 GLU 19 57.100 6.132 9.325 150 1HG GLU 19 HG2 GLU 19 55.861 4.727 7.863 151 2HG GLU 19 HG1 GLU 19 57.316 3.924 7.273 152 H ILE 20 HN ILE 20 57.616 5.193 5.343 153 HA ILE 20 HA ILE 20 60.106 3.690 5.044 154 HB ILE 20 HB ILE 20 57.416 3.915 3.885 155 1HG1 ILE 20 HG12 ILE 20 57.823 1.490 3.460 156 2HG1 ILE 20 HG11 ILE 20 59.483 1.702 4.001 157 1HG2 ILE 20 HG23 ILE 20 59.711 4.035 2.036 158 2HG2 ILE 20 HG22 ILE 20 58.629 2.696 1.733 159 3HG2 ILE 20 HG21 ILE 20 58.003 4.337 1.732 160 1HD1 ILE 20 HD13 ILE 20 58.346 2.752 6.125 161 2HD1 ILE 20 HD12 ILE 20 56.943 1.836 5.577 162 3HD1 ILE 20 HD11 ILE 20 58.447 1.000 5.957 163 H ARG 21 HN ARG 21 58.459 6.346 3.316 164 HA ARG 21 HA ARG 21 60.635 7.007 1.568 165 1HB ARG 21 HB2 ARG 21 59.390 9.174 1.395 166 2HB ARG 21 HB1 ARG 21 58.313 7.785 1.262 167 1HG ARG 21 HG2 ARG 21 57.155 9.069 2.806 168 2HG ARG 21 HG1 ARG 21 58.137 8.079 3.880 169 1HD ARG 21 HD2 ARG 21 58.745 10.105 4.768 170 2HD ARG 21 HD1 ARG 21 59.850 10.157 3.381 171 HE ARG 21 HE ARG 21 58.463 11.812 2.434 172 1HH1 ARG 21 HH11 ARG 21 57.242 11.322 5.440 173 2HH1 ARG 21 HH12 ARG 21 55.583 11.634 5.052 174 1HH2 ARG 21 HH21 ARG 21 56.109 11.621 1.625 175 2HH2 ARG 21 HH22 ARG 21 54.943 11.803 2.891 176 H LYS 22 HN LYS 22 59.722 7.949 4.809 177 HA LYS 22 HA LYS 22 61.549 10.026 5.354 178 1HB LYS 22 HB2 LYS 22 59.761 9.545 6.857 179 2HB LYS 22 HB1 LYS 22 60.194 7.837 6.946 180 1HG LYS 22 HG2 LYS 22 60.854 9.273 8.969 181 2HG LYS 22 HG1 LYS 22 62.131 8.284 8.263 182 1HD LYS 22 HD2 LYS 22 63.077 10.465 8.617 183 2HD LYS 22 HD1 LYS 22 62.793 10.325 6.884 184 1HE LYS 22 HE2 LYS 22 61.274 12.017 6.900 185 2HE LYS 22 HE1 LYS 22 60.461 11.373 8.340 186 1HZ LYS 22 HZ2 LYS 22 63.077 12.785 8.345 187 2HZ LYS 22 HZ1 LYS 22 61.597 13.484 8.801 188 3HZ LYS 22 HZ3 LYS 22 62.245 12.208 9.710 189 H ALA 23 HN ALA 23 61.916 6.526 6.020 190 HA ALA 23 HA ALA 23 64.500 6.511 7.107 191 1HB ALA 23 HB3 ALA 23 63.128 4.574 5.233 192 2HB ALA 23 HB2 ALA 23 64.529 4.174 6.223 193 3HB ALA 23 HB1 ALA 23 62.994 4.586 6.990 194 H TYR 24 HN TYR 24 63.562 6.356 3.672 195 HA TYR 24 HA TYR 24 66.276 6.212 2.679 196 1HB TYR 24 HB2 TYR 24 64.110 5.483 1.547 197 2HB TYR 24 HB1 TYR 24 63.741 7.186 1.307 198 HD1 TYR 24 HD2 TYR 24 67.070 5.505 1.129 199 HD2 TYR 24 HD1 TYR 24 63.920 7.481 -1.019 200 HE1 TYR 24 HE2 TYR 24 68.487 5.553 -0.906 201 HE2 TYR 24 HE1 TYR 24 65.336 7.530 -3.053 202 HH TYR 24 HH TYR 24 67.489 7.295 -3.799 203 H LYS 25 HN LYS 25 63.813 8.732 3.002 204 HA LYS 25 HA LYS 25 65.218 10.984 2.064 205 1HB LYS 25 HB2 LYS 25 62.924 10.248 3.640 206 2HB LYS 25 HB1 LYS 25 63.715 11.626 4.388 207 1HG LYS 25 HG2 LYS 25 62.757 12.958 2.839 208 2HG LYS 25 HG1 LYS 25 63.717 12.139 1.605 209 1HD LYS 25 HD2 LYS 25 61.928 10.334 1.571 210 2HD LYS 25 HD1 LYS 25 60.946 11.404 2.571 211 1HE LYS 25 HE2 LYS 25 60.431 11.648 0.129 212 2HE LYS 25 HE1 LYS 25 61.049 13.155 0.832 213 1HZ LYS 25 HZ3 LYS 25 62.962 11.186 -0.209 214 2HZ LYS 25 HZ2 LYS 25 62.132 12.168 -1.319 215 3HZ LYS 25 HZ1 LYS 25 63.100 12.874 -0.114 216 H ARG 26 HN ARG 26 65.533 9.130 5.012 217 HA ARG 26 HA ARG 26 67.085 11.098 6.482 218 1HB ARG 26 HB2 ARG 26 66.188 8.269 6.743 219 2HB ARG 26 HB1 ARG 26 67.513 8.814 7.776 220 1HG ARG 26 HG2 ARG 26 66.164 10.666 8.601 221 2HG ARG 26 HG1 ARG 26 64.852 10.235 7.502 222 1HD ARG 26 HD2 ARG 26 64.493 9.388 9.836 223 2HD ARG 26 HD1 ARG 26 64.575 8.082 8.636 224 HE ARG 26 HE ARG 26 66.699 7.454 9.510 225 1HH1 ARG 26 HH11 ARG 26 65.150 9.535 11.595 226 2HH1 ARG 26 HH12 ARG 26 66.575 10.086 12.410 227 1HH2 ARG 26 HH21 ARG 26 68.756 8.572 10.178 228 2HH2 ARG 26 HH22 ARG 26 68.619 9.537 11.609 229 H LEU 27 HN LEU 27 67.895 7.970 4.922 230 HA LEU 27 HA LEU 27 70.771 8.406 5.233 231 1HB LEU 27 HB2 LEU 27 70.918 6.226 4.260 232 2HB LEU 27 HB1 LEU 27 69.451 6.206 5.235 233 HG LEU 27 HG LEU 27 68.242 6.908 3.060 234 1HD1 LEU 27 HD12 LEU 27 70.916 6.812 2.129 235 2HD1 LEU 27 HD11 LEU 27 70.095 5.422 1.418 236 3HD1 LEU 27 HD13 LEU 27 69.458 7.047 1.164 237 1HD2 LEU 27 HD22 LEU 27 68.945 4.410 4.211 238 2HD2 LEU 27 HD21 LEU 27 67.546 4.774 3.201 239 3HD2 LEU 27 HD23 LEU 27 69.048 4.218 2.462 240 H ALA 28 HN ALA 28 68.361 8.621 2.683 241 HA ALA 28 HA ALA 28 70.081 9.032 0.466 242 1HB ALA 28 HB3 ALA 28 67.642 8.468 0.509 243 2HB ALA 28 HB2 ALA 28 67.306 10.108 1.060 244 3HB ALA 28 HB1 ALA 28 67.996 9.839 -0.541 245 H MET 29 HN MET 29 68.558 11.342 2.735 246 HA MET 29 HA MET 29 69.734 13.678 1.462 247 1HB MET 29 HB2 MET 29 68.820 14.821 3.369 248 2HB MET 29 HB1 MET 29 67.700 13.500 3.033 249 1HG MET 29 HG2 MET 29 67.975 13.030 5.246 250 2HG MET 29 HG1 MET 29 69.460 12.258 4.696 251 1HE MET 29 HE1 MET 29 67.596 14.963 6.012 252 2HE MET 29 HE3 MET 29 68.450 14.910 7.560 253 3HE MET 29 HE2 MET 29 68.664 16.284 6.478 254 H LYS 30 HN LYS 30 70.747 11.271 3.765 255 HA LYS 30 HA LYS 30 73.117 12.800 4.658 256 1HB LYS 30 HB2 LYS 30 71.570 10.421 5.408 257 2HB LYS 30 HB1 LYS 30 73.310 10.164 5.527 258 1HG LYS 30 HG2 LYS 30 73.523 11.588 7.284 259 2HG LYS 30 HG1 LYS 30 72.403 12.760 6.587 260 1HD LYS 30 HD2 LYS 30 70.517 11.674 7.463 261 2HD LYS 30 HD1 LYS 30 71.373 10.146 7.668 262 1HE LYS 30 HE2 LYS 30 71.882 10.714 9.799 263 2HE LYS 30 HE1 LYS 30 72.713 12.171 9.219 264 1HZ LYS 30 HZ3 LYS 30 69.795 12.169 9.129 265 2HZ LYS 30 HZ2 LYS 30 70.511 12.304 10.664 266 3HZ LYS 30 HZ1 LYS 30 70.865 13.444 9.456 267 H TYR 31 HN TYR 31 72.236 10.635 2.122 268 HA TYR 31 HA TYR 31 75.128 10.097 1.546 269 1HB TYR 31 HB2 TYR 31 72.621 8.485 1.389 270 2HB TYR 31 HB1 TYR 31 73.866 8.185 0.173 271 HD1 TYR 31 HD1 TYR 31 76.372 8.520 1.506 272 HD2 TYR 31 HD2 TYR 31 72.729 6.858 3.056 273 HE1 TYR 31 HE1 TYR 31 77.671 7.237 3.179 274 HE2 TYR 31 HE2 TYR 31 74.026 5.573 4.727 275 HH TYR 31 HH TYR 31 76.696 4.691 4.704 276 H HIS 32 HN HIS 32 72.817 12.086 0.678 277 HA HIS 32 HA HIS 32 72.441 11.918 -2.116 278 1HB HIS 32 HB2 HIS 32 71.763 14.234 -1.727 279 2HB HIS 32 HB1 HIS 32 71.315 13.266 -0.340 280 HD1 HIS 32 HD1 HIS 32 72.241 16.425 -0.450 281 HD2 HIS 32 HD2 HIS 32 74.347 13.174 1.086 282 HE1 HIS 32 HE1 HIS 32 73.896 17.374 1.215 283 HA PRO 33 HA PRO 33 76.092 13.530 -3.911 284 1HB PRO 33 HB2 PRO 33 76.192 16.252 -4.245 285 2HB PRO 33 HB1 PRO 33 75.232 15.161 -5.264 286 1HG PRO 33 HG2 PRO 33 74.370 16.897 -3.023 287 2HG PRO 33 HG1 PRO 33 73.529 16.482 -4.522 288 1HD PRO 33 HD2 PRO 33 72.980 15.409 -2.099 289 2HD PRO 33 HD1 PRO 33 72.629 14.600 -3.639 290 H ASP 34 HN ASP 34 76.315 13.113 -1.192 291 HA ASP 34 HA ASP 34 78.177 15.196 -0.155 292 1HB ASP 34 HB2 ASP 34 77.133 14.602 1.792 293 2HB ASP 34 HB1 ASP 34 76.196 13.396 0.921 294 H ARG 35 HN ARG 35 77.844 11.759 -0.909 295 HA ARG 35 HA ARG 35 80.746 11.591 -1.526 296 1HB ARG 35 HB2 ARG 35 80.803 9.463 -0.231 297 2HB ARG 35 HB1 ARG 35 80.386 10.834 0.798 298 1HG ARG 35 HG2 ARG 35 78.778 9.213 1.385 299 2HG ARG 35 HG1 ARG 35 77.924 10.230 0.224 300 1HD ARG 35 HD2 ARG 35 77.576 8.419 -1.068 301 2HD ARG 35 HD1 ARG 35 79.332 8.245 -1.260 302 HE ARG 35 HE ARG 35 77.735 6.960 0.917 303 1HH1 ARG 35 HH21 ARG 35 79.969 6.505 -1.536 304 2HH1 ARG 35 HH22 ARG 35 81.047 5.509 -0.618 305 1HH2 ARG 35 HH11 ARG 35 79.404 6.040 2.390 306 2HH2 ARG 35 HH12 ARG 35 80.727 5.245 1.604 307 H ASN 36 HN ASN 36 77.411 10.385 -1.884 308 HA ASN 36 HA ASN 36 77.723 8.135 -3.494 309 1HB ASN 36 HB2 ASN 36 75.771 10.217 -2.959 310 2HB ASN 36 HB1 ASN 36 75.675 9.688 -4.638 311 1HD2 ASN 36 HD21 ASN 36 73.676 9.096 -2.554 312 2HD2 ASN 36 HD22 ASN 36 73.633 7.408 -2.387 313 H GLN 37 HN GLN 37 78.304 11.504 -4.295 314 HA GLN 37 HA GLN 37 78.371 11.321 -7.133 315 1HB GLN 37 HB2 GLN 37 79.974 13.014 -5.185 316 2HB GLN 37 HB1 GLN 37 79.765 13.370 -6.900 317 1HG GLN 37 HG2 GLN 37 77.255 12.877 -5.417 318 2HG GLN 37 HG1 GLN 37 78.128 14.334 -4.941 319 1HE2 GLN 37 HE22 GLN 37 76.198 14.234 -8.499 320 2HE2 GLN 37 HE21 GLN 37 76.138 12.928 -7.416 321 H GLY 38 HN GLY 38 80.416 9.915 -4.761 322 1HA GLY 38 HA2 GLY 38 82.438 9.313 -6.888 323 2HA GLY 38 HA1 GLY 38 82.920 9.638 -5.221 324 H ASP 39 HN ASP 39 79.993 7.865 -5.900 325 HA ASP 39 HA ASP 39 81.363 5.335 -5.042 326 1HB ASP 39 HB2 ASP 39 79.682 6.843 -3.530 327 2HB ASP 39 HB1 ASP 39 78.514 5.800 -4.342 328 H LYS 40 HN LYS 40 81.196 3.859 -6.678 329 HA LYS 40 HA LYS 40 79.083 4.103 -8.727 330 1HB LYS 40 HB2 LYS 40 81.680 3.552 -8.890 331 2HB LYS 40 HB1 LYS 40 81.120 1.909 -8.578 332 1HG LYS 40 HG2 LYS 40 80.297 1.699 -10.670 333 2HG LYS 40 HG1 LYS 40 79.475 3.257 -10.575 334 1HD LYS 40 HD2 LYS 40 81.662 4.388 -11.016 335 2HD LYS 40 HD1 LYS 40 82.398 2.800 -11.238 336 1HE LYS 40 HE2 LYS 40 81.739 2.858 -13.405 337 2HE LYS 40 HE1 LYS 40 80.051 2.852 -12.855 338 1HZ LYS 40 HZ1 LYS 40 81.709 5.306 -12.838 339 2HZ LYS 40 HZ3 LYS 40 80.785 4.862 -14.189 340 3HZ LYS 40 HZ2 LYS 40 80.021 5.179 -12.705 341 H GLU 41 HN GLU 41 79.509 1.025 -8.884 342 HA GLU 41 HA GLU 41 77.556 -0.491 -8.446 343 1HB GLU 41 HB2 GLU 41 78.909 -1.633 -6.380 344 2HB GLU 41 HB1 GLU 41 79.426 -1.745 -8.062 345 1HG GLU 41 HG2 GLU 41 80.855 0.243 -7.766 346 2HG GLU 41 HG1 GLU 41 80.339 0.376 -6.088 347 H ALA 42 HN ALA 42 78.791 0.766 -5.295 348 HA ALA 42 HA ALA 42 76.658 0.070 -3.642 349 1HB ALA 42 HB1 ALA 42 78.451 2.496 -3.825 350 2HB ALA 42 HB3 ALA 42 77.267 2.348 -2.528 351 3HB ALA 42 HB2 ALA 42 78.547 1.147 -2.694 352 H GLU 43 HN GLU 43 76.740 2.433 -6.224 353 HA GLU 43 HA GLU 43 74.672 4.217 -5.724 354 1HB GLU 43 HB2 GLU 43 75.865 4.034 -7.868 355 2HB GLU 43 HB1 GLU 43 75.085 2.481 -8.175 356 1HG GLU 43 HG2 GLU 43 72.970 3.446 -8.473 357 2HG GLU 43 HG1 GLU 43 73.429 4.941 -7.655 358 H ALA 44 HN ALA 44 74.383 0.828 -6.700 359 HA ALA 44 HA ALA 44 71.614 0.812 -7.050 360 1HB ALA 44 HB1 ALA 44 73.589 -1.319 -6.187 361 2HB ALA 44 HB3 ALA 44 71.921 -1.686 -6.628 362 3HB ALA 44 HB2 ALA 44 73.019 -0.994 -7.824 363 H LYS 45 HN LYS 45 73.294 -0.562 -4.173 364 HA LYS 45 HA LYS 45 71.063 -0.892 -2.543 365 1HB LYS 45 HB2 LYS 45 73.276 -1.527 -1.811 366 2HB LYS 45 HB1 LYS 45 73.821 0.159 -1.841 367 1HG LYS 45 HG2 LYS 45 72.207 0.741 -0.087 368 2HG LYS 45 HG1 LYS 45 71.578 -0.906 -0.089 369 1HD LYS 45 HD2 LYS 45 74.501 -0.348 0.434 370 2HD LYS 45 HD1 LYS 45 73.310 -0.309 1.735 371 1HE LYS 45 HE2 LYS 45 73.667 -2.557 1.887 372 2HE LYS 45 HE1 LYS 45 72.711 -2.677 0.397 373 1HZ LYS 45 HZ1 LYS 45 74.744 -2.270 -0.875 374 2HZ LYS 45 HZ3 LYS 45 75.648 -2.245 0.560 375 3HZ LYS 45 HZ2 LYS 45 74.877 -3.677 0.069 376 H PHE 46 HN PHE 46 72.538 2.117 -3.567 377 HA PHE 46 HA PHE 46 71.212 3.774 -1.578 378 1HB PHE 46 HB2 PHE 46 72.797 4.155 -4.100 379 2HB PHE 46 HB1 PHE 46 71.924 5.529 -3.424 380 HD1 PHE 46 HD1 PHE 46 72.132 5.520 -0.663 381 HD2 PHE 46 HD2 PHE 46 75.030 4.039 -3.466 382 HE1 PHE 46 HE1 PHE 46 73.919 5.816 1.028 383 HE2 PHE 46 HE2 PHE 46 76.819 4.338 -1.773 384 HZ PHE 46 HZ PHE 46 76.262 5.227 0.474 385 H LYS 47 HN LYS 47 70.590 3.067 -5.066 386 HA LYS 47 HA LYS 47 67.989 4.479 -4.784 387 1HB LYS 47 HB2 LYS 47 67.794 3.835 -7.250 388 2HB LYS 47 HB1 LYS 47 69.145 4.889 -6.853 389 1HG LYS 47 HG2 LYS 47 69.878 3.131 -8.379 390 2HG LYS 47 HG1 LYS 47 70.648 2.906 -6.817 391 1HD LYS 47 HD2 LYS 47 69.588 0.937 -6.449 392 2HD LYS 47 HD1 LYS 47 68.063 1.533 -7.095 393 1HE LYS 47 HE2 LYS 47 68.600 0.931 -9.286 394 2HE LYS 47 HE1 LYS 47 70.347 1.015 -8.981 395 1HZ LYS 47 HZ3 LYS 47 68.572 -0.931 -7.621 396 2HZ LYS 47 HZ2 LYS 47 69.382 -1.292 -9.069 397 3HZ LYS 47 HZ1 LYS 47 70.267 -0.926 -7.667 398 H GLU 48 HN GLU 48 69.337 1.325 -4.641 399 HA GLU 48 HA GLU 48 67.195 -0.397 -5.265 400 1HB GLU 48 HB2 GLU 48 69.415 -0.309 -3.224 401 2HB GLU 48 HB1 GLU 48 68.257 -1.635 -3.184 402 1HG GLU 48 HG2 GLU 48 69.493 -0.924 -5.809 403 2HG GLU 48 HG1 GLU 48 70.479 -1.793 -4.632 404 H ILE 49 HN ILE 49 67.897 1.602 -2.485 405 HA ILE 49 HA ILE 49 65.799 0.797 -0.727 406 HB ILE 49 HB ILE 49 67.123 3.463 -1.218 407 1HG1 ILE 49 HG12 ILE 49 67.928 1.587 0.952 408 2HG1 ILE 49 HG11 ILE 49 68.436 1.211 -0.694 409 1HG2 ILE 49 HG23 ILE 49 65.423 2.393 0.996 410 2HG2 ILE 49 HG22 ILE 49 66.664 3.597 1.344 411 3HG2 ILE 49 HG21 ILE 49 65.367 3.971 0.210 412 1HD1 ILE 49 HD11 ILE 49 68.898 3.883 0.655 413 2HD1 ILE 49 HD13 ILE 49 70.104 2.600 0.560 414 3HD1 ILE 49 HD12 ILE 49 69.518 3.370 -0.912 415 H LYS 50 HN LYS 50 66.051 3.216 -3.289 416 HA LYS 50 HA LYS 50 63.456 4.412 -3.007 417 1HB LYS 50 HB2 LYS 50 65.703 4.928 -4.400 418 2HB LYS 50 HB1 LYS 50 64.764 4.162 -5.682 419 1HG LYS 50 HG2 LYS 50 62.859 5.724 -5.076 420 2HG LYS 50 HG1 LYS 50 63.999 6.588 -4.043 421 1HD LYS 50 HD2 LYS 50 65.503 6.680 -6.162 422 2HD LYS 50 HD1 LYS 50 64.020 6.304 -7.041 423 1HE LYS 50 HE2 LYS 50 63.801 8.604 -7.028 424 2HE LYS 50 HE1 LYS 50 63.107 8.291 -5.426 425 1HZ LYS 50 HZ1 LYS 50 65.935 8.267 -5.283 426 2HZ LYS 50 HZ3 LYS 50 65.418 9.719 -5.995 427 3HZ LYS 50 HZ2 LYS 50 64.835 9.270 -4.464 428 H GLU 51 HN GLU 51 64.349 1.291 -4.003 429 HA GLU 51 HA GLU 51 62.143 0.869 -5.914 430 1HB GLU 51 HB2 GLU 51 64.569 -0.190 -5.657 431 2HB GLU 51 HB1 GLU 51 63.722 -1.290 -4.568 432 1HG GLU 51 HG2 GLU 51 63.046 -2.453 -6.378 433 2HG GLU 51 HG1 GLU 51 62.061 -1.060 -6.828 434 H ALA 52 HN ALA 52 62.981 0.151 -2.559 435 HA ALA 52 HA ALA 52 61.051 -1.620 -1.664 436 1HB ALA 52 HB1 ALA 52 62.138 0.968 -0.519 437 2HB ALA 52 HB3 ALA 52 61.196 -0.173 0.440 438 3HB ALA 52 HB2 ALA 52 62.747 -0.664 -0.242 439 H TYR 53 HN TYR 53 60.552 1.640 -2.800 440 HA TYR 53 HA TYR 53 57.935 2.066 -1.683 441 1HB TYR 53 HB2 TYR 53 59.365 3.193 -4.112 442 2HB TYR 53 HB1 TYR 53 57.922 3.899 -3.380 443 HD1 TYR 53 HD2 TYR 53 61.484 3.129 -2.874 444 HD2 TYR 53 HD1 TYR 53 58.041 5.089 -1.264 445 HE1 TYR 53 HE2 TYR 53 62.921 4.246 -1.227 446 HE2 TYR 53 HE1 TYR 53 59.467 6.215 0.402 447 HH TYR 53 HH TYR 53 62.156 6.867 0.386 448 H GLU 54 HN GLU 54 59.131 0.649 -4.698 449 HA GLU 54 HA GLU 54 56.592 0.393 -6.029 450 1HB GLU 54 HB2 GLU 54 58.800 -1.649 -6.251 451 2HB GLU 54 HB1 GLU 54 57.784 -0.979 -7.528 452 1HG GLU 54 HG2 GLU 54 59.109 1.234 -6.480 453 2HG GLU 54 HG1 GLU 54 60.338 -0.031 -6.510 454 H VAL 55 HN VAL 55 57.950 -1.094 -3.267 455 HA VAL 55 HA VAL 55 56.203 -3.453 -3.496 456 HB VAL 55 HB VAL 55 58.785 -2.875 -2.485 457 1HG1 VAL 55 HG13 VAL 55 56.803 -3.628 -0.324 458 2HG1 VAL 55 HG12 VAL 55 58.526 -3.983 -0.198 459 3HG1 VAL 55 HG11 VAL 55 57.978 -2.313 -0.304 460 1HG2 VAL 55 HG23 VAL 55 57.951 -4.921 -3.653 461 2HG2 VAL 55 HG22 VAL 55 58.897 -5.273 -2.207 462 3HG2 VAL 55 HG21 VAL 55 57.137 -5.386 -2.160 463 H LEU 56 HN LEU 56 56.987 -0.957 -1.054 464 HA LEU 56 HA LEU 56 54.534 -1.568 0.461 465 1HB LEU 56 HB2 LEU 56 55.505 0.099 1.999 466 2HB LEU 56 HB1 LEU 56 56.709 -1.098 1.506 467 HG LEU 56 HG LEU 56 56.860 0.835 -0.475 468 1HD1 LEU 56 HD13 LEU 56 55.439 2.300 0.961 469 2HD1 LEU 56 HD12 LEU 56 56.656 2.191 2.231 470 3HD1 LEU 56 HD11 LEU 56 57.049 2.967 0.696 471 1HD2 LEU 56 HD22 LEU 56 58.680 -0.454 0.702 472 2HD2 LEU 56 HD21 LEU 56 59.056 1.251 0.456 473 3HD2 LEU 56 HD23 LEU 56 58.544 0.678 2.041 474 H THR 57 HN THR 57 55.566 0.978 -1.811 475 HA THR 57 HA THR 57 53.245 2.649 -1.040 476 HB THR 57 HB THR 57 54.215 4.292 -2.449 477 HG1 THR 57 HG1 THR 57 56.161 3.211 -3.743 478 1HG2 THR 57 HG23 THR 57 56.287 2.578 -1.104 479 2HG2 THR 57 HG22 THR 57 56.756 4.026 -1.982 480 3HG2 THR 57 HG21 THR 57 55.661 4.148 -0.609 481 H ASP 58 HN ASP 58 52.968 -0.090 -2.258 482 HA ASP 58 HA ASP 58 51.104 0.675 -4.445 483 1HB ASP 58 HB2 ASP 58 53.609 -0.708 -4.671 484 2HB ASP 58 HB1 ASP 58 52.314 -1.863 -5.001 485 H SER 59 HN SER 59 49.207 0.094 -3.749 486 HA SER 59 HA SER 59 48.465 -1.343 -1.597 487 1HB SER 59 HB2 SER 59 47.216 -0.216 -3.703 488 2HB SER 59 HB1 SER 59 46.904 -1.914 -4.056 489 HG SER 59 HG SER 59 46.320 -0.507 -1.657 490 H GLN 60 HN GLN 60 49.767 -2.747 -4.525 491 HA GLN 60 HA GLN 60 48.851 -5.453 -4.029 492 1HB GLN 60 HB2 GLN 60 51.020 -4.233 -5.759 493 2HB GLN 60 HB1 GLN 60 50.517 -5.921 -5.854 494 1HG GLN 60 HG2 GLN 60 48.580 -5.414 -6.931 495 2HG GLN 60 HG1 GLN 60 48.298 -3.978 -5.947 496 1HE2 GLN 60 HE22 GLN 60 50.669 -3.594 -9.294 497 2HE2 GLN 60 HE21 GLN 60 50.595 -5.096 -8.506 498 H LYS 61 HN LYS 61 52.228 -4.244 -4.057 499 HA LYS 61 HA LYS 61 53.074 -6.501 -2.386 500 1HB LYS 61 HB2 LYS 61 55.129 -4.539 -2.544 501 2HB LYS 61 HB1 LYS 61 55.049 -6.090 -3.360 502 1HG LYS 61 HG2 LYS 61 53.828 -3.515 -4.404 503 2HG LYS 61 HG1 LYS 61 55.352 -4.208 -4.948 504 1HD LYS 61 HD2 LYS 61 53.031 -6.056 -4.984 505 2HD LYS 61 HD1 LYS 61 52.979 -4.737 -6.154 506 1HE LYS 61 HE2 LYS 61 55.642 -5.844 -6.114 507 2HE LYS 61 HE1 LYS 61 54.461 -7.146 -6.368 508 1HZ LYS 61 HZ1 LYS 61 53.365 -5.338 -7.894 509 2HZ LYS 61 HZ3 LYS 61 54.952 -4.746 -7.982 510 3HZ LYS 61 HZ2 LYS 61 54.610 -6.333 -8.483 511 H ARG 62 HN ARG 62 51.929 -3.351 -1.673 512 HA ARG 62 HA ARG 62 53.419 -3.206 0.838 513 1HB ARG 62 HB2 ARG 62 52.372 -1.093 1.047 514 2HB ARG 62 HB1 ARG 62 52.499 -1.307 -0.698 515 1HG ARG 62 HG2 ARG 62 50.192 -2.019 -0.848 516 2HG ARG 62 HG1 ARG 62 50.041 -2.058 0.909 517 1HD ARG 62 HD2 ARG 62 50.822 0.496 -0.502 518 2HD ARG 62 HD1 ARG 62 49.117 0.041 -0.308 519 HE ARG 62 HE ARG 62 51.016 0.575 1.923 520 1HH1 ARG 62 HH21 ARG 62 49.004 -1.632 2.479 521 2HH1 ARG 62 HH22 ARG 62 47.715 -0.738 3.216 522 1HH2 ARG 62 HH11 ARG 62 48.869 2.342 2.121 523 2HH2 ARG 62 HH12 ARG 62 47.638 1.511 3.011 524 H ALA 63 HN ALA 63 50.315 -4.312 -0.279 525 HA ALA 63 HA ALA 63 49.275 -4.736 2.463 526 1HB ALA 63 HB3 ALA 63 48.244 -5.159 -0.355 527 2HB ALA 63 HB2 ALA 63 47.328 -5.655 1.068 528 3HB ALA 63 HB1 ALA 63 47.714 -3.952 0.816 529 H ALA 64 HN ALA 64 50.967 -6.406 -0.031 530 HA ALA 64 HA ALA 64 50.230 -9.102 0.930 531 1HB ALA 64 HB1 ALA 64 51.754 -7.839 -1.306 532 2HB ALA 64 HB3 ALA 64 52.171 -9.499 -0.879 533 3HB ALA 64 HB2 ALA 64 50.523 -9.100 -1.363 534 H TYR 65 HN TYR 65 53.067 -6.954 0.897 535 HA TYR 65 HA TYR 65 54.788 -8.859 2.261 536 1HB TYR 65 HB2 TYR 65 54.837 -5.950 1.470 537 2HB TYR 65 HB1 TYR 65 56.150 -6.641 2.436 538 HD1 TYR 65 HD2 TYR 65 54.478 -8.983 0.251 539 HD2 TYR 65 HD1 TYR 65 57.612 -6.048 0.412 540 HE1 TYR 65 HE2 TYR 65 55.479 -9.941 -1.802 541 HE2 TYR 65 HE1 TYR 65 58.609 -7.010 -1.643 542 HH TYR 65 HH TYR 65 57.572 -8.417 -3.704 543 H ASP 66 HN ASP 66 52.609 -6.270 3.262 544 HA ASP 66 HA ASP 66 53.611 -5.873 5.914 545 1HB ASP 66 HB2 ASP 66 51.558 -4.713 6.223 546 2HB ASP 66 HB1 ASP 66 51.884 -4.563 4.498 547 H GLN 67 HN GLN 67 51.995 -8.528 4.453 548 HA GLN 67 HA GLN 67 51.665 -9.814 7.136 549 1HB GLN 67 HB2 GLN 67 49.729 -9.715 4.801 550 2HB GLN 67 HB1 GLN 67 49.529 -10.781 6.192 551 1HG GLN 67 HG2 GLN 67 49.790 -7.769 6.399 552 2HG GLN 67 HG1 GLN 67 48.247 -8.623 6.376 553 1HE2 GLN 67 HE22 GLN 67 48.755 -10.084 9.643 554 2HE2 GLN 67 HE21 GLN 67 48.052 -10.414 8.134 555 H TYR 68 HN TYR 68 53.418 -9.907 4.457 556 HA TYR 68 HA TYR 68 54.496 -11.600 3.201 557 1HB TYR 68 HB2 TYR 68 53.937 -12.658 5.951 558 2HB TYR 68 HB1 TYR 68 54.627 -13.757 4.751 559 HD1 TYR 68 HD2 TYR 68 56.656 -12.769 3.360 560 HD2 TYR 68 HD1 TYR 68 55.381 -11.315 7.196 561 HE1 TYR 68 HE2 TYR 68 58.891 -11.758 3.720 562 HE2 TYR 68 HE1 TYR 68 57.615 -10.304 7.555 563 HH TYR 68 HH TYR 68 59.846 -9.856 5.100 564 H GLY 69 HN GLY 69 51.619 -11.307 2.756 565 1HA GLY 69 HA2 GLY 69 50.259 -12.563 1.209 566 2HA GLY 69 HA1 GLY 69 51.080 -14.038 1.728 567 H HIS 70 HN HIS 70 48.227 -13.783 1.635 568 HA HIS 70 HA HIS 70 47.129 -13.140 4.213 569 1HB HIS 70 HB2 HIS 70 45.150 -14.278 3.306 570 2HB HIS 70 HB1 HIS 70 45.896 -13.290 2.045 571 HD1 HIS 70 HD1 HIS 70 44.841 -16.708 2.776 572 HD2 HIS 70 HD2 HIS 70 47.639 -14.917 0.257 573 HE1 HIS 70 HE1 HIS 70 45.471 -18.451 1.050 574 H ALA 71 HN ALA 71 49.138 -15.685 3.243 575 HA ALA 71 HA ALA 71 48.109 -17.920 4.688 576 1HB ALA 71 HB3 ALA 71 49.961 -17.881 2.997 577 2HB ALA 71 HB2 ALA 71 50.988 -17.094 4.195 578 3HB ALA 71 HB1 ALA 71 50.405 -18.735 4.474 579 H ALA 72 HN ALA 72 50.223 -15.231 5.701 580 HA ALA 72 HA ALA 72 50.865 -16.166 8.314 581 1HB ALA 72 HB3 ALA 72 50.459 -13.393 7.150 582 2HB ALA 72 HB2 ALA 72 51.197 -13.694 8.723 583 3HB ALA 72 HB1 ALA 72 51.978 -14.283 7.255 584 H PHE 73 HN PHE 73 47.901 -14.952 6.986 585 HA PHE 73 HA PHE 73 46.744 -14.603 9.725 586 1HB PHE 73 HB2 PHE 73 46.622 -13.175 7.243 587 2HB PHE 73 HB1 PHE 73 45.000 -13.768 7.620 588 HD1 PHE 73 HD2 PHE 73 47.880 -12.525 9.690 589 HD2 PHE 73 HD1 PHE 73 43.723 -12.140 8.680 590 HE1 PHE 73 HE2 PHE 73 47.628 -10.753 11.404 591 HE2 PHE 73 HE1 PHE 73 43.470 -10.366 10.396 592 HZ PHE 73 HZ PHE 73 45.424 -9.674 11.759 593 H GLU 74 HN GLU 74 46.894 -16.767 7.120 594 HA GLU 74 HA GLU 74 44.577 -18.292 8.204 595 1HB GLU 74 HB2 GLU 74 44.957 -17.793 5.243 596 2HB GLU 74 HB1 GLU 74 43.530 -18.427 6.062 597 1HG GLU 74 HG2 GLU 74 43.172 -16.261 7.163 598 2HG GLU 74 HG1 GLU 74 44.627 -15.618 6.398 599 H GLN 75 HN GLN 75 45.785 -20.088 8.839 600 HA GLN 75 HA GLN 75 46.764 -21.914 6.841 601 1HB GLN 75 HB2 GLN 75 48.489 -19.772 7.657 602 2HB GLN 75 HB1 GLN 75 49.170 -21.292 8.243 603 1HG GLN 75 HG2 GLN 75 48.312 -21.910 5.669 604 2HG GLN 75 HG1 GLN 75 48.981 -20.286 5.507 605 1HE2 GLN 75 HE22 GLN 75 51.485 -23.401 5.971 606 2HE2 GLN 75 HE21 GLN 75 49.819 -23.599 5.710 607 H GLY 76 HN GLY 76 47.763 -20.933 10.150 608 1HA GLY 76 HA2 GLY 76 46.463 -23.175 11.409 609 2HA GLY 76 HA1 GLY 76 48.183 -23.506 11.188 610 H GLY 77 HN GLY 77 48.836 -23.354 13.338 611 1HA GLY 77 HA2 GLY 77 49.539 -20.872 14.425 612 2HA GLY 77 HA1 GLY 77 47.963 -21.257 15.117 No H/Q in entry = 612 Start of MODEL 14 1 1H ALA 1 HT2 ALA 1 68.752 -12.294 7.865 2 2H ALA 1 HT1 ALA 1 69.989 -12.982 6.927 3 3H ALA 1 HT3 ALA 1 70.355 -11.765 8.050 4 HA ALA 1 HA ALA 1 70.311 -10.467 6.193 5 1HB ALA 1 HB2 ALA 1 68.811 -12.853 5.296 6 2HB ALA 1 HB1 ALA 1 68.381 -11.357 4.468 7 3HB ALA 1 HB3 ALA 1 70.050 -11.924 4.453 8 H LYS 2 HN LYS 2 69.149 -8.546 6.072 9 HA LYS 2 HA LYS 2 66.263 -8.548 6.810 10 1HB LYS 2 HB2 LYS 2 68.509 -7.772 8.479 11 2HB LYS 2 HB1 LYS 2 67.440 -6.397 8.201 12 1HG LYS 2 HG2 LYS 2 65.515 -7.681 8.964 13 2HG LYS 2 HG1 LYS 2 66.510 -9.127 9.135 14 1HD LYS 2 HD2 LYS 2 66.216 -8.086 11.325 15 2HD LYS 2 HD1 LYS 2 67.900 -7.930 10.824 16 1HE LYS 2 HE2 LYS 2 67.696 -5.695 11.159 17 2HE LYS 2 HE1 LYS 2 66.585 -5.655 9.775 18 1HZ LYS 2 HZ1 LYS 2 64.938 -6.622 11.540 19 2HZ LYS 2 HZ3 LYS 2 65.975 -5.854 12.640 20 3HZ LYS 2 HZ2 LYS 2 65.196 -4.947 11.432 21 H GLN 3 HN GLN 3 67.052 -8.092 4.252 22 HA GLN 3 HA GLN 3 67.060 -5.102 3.975 23 1HB GLN 3 HB2 GLN 3 68.633 -7.268 2.820 24 2HB GLN 3 HB1 GLN 3 67.889 -6.271 1.569 25 1HG GLN 3 HG2 GLN 3 68.740 -4.299 3.152 26 2HG GLN 3 HG1 GLN 3 69.915 -5.525 3.632 27 1HE2 GLN 3 HE22 GLN 3 71.400 -5.704 0.338 28 2HE2 GLN 3 HE21 GLN 3 71.019 -6.677 1.675 29 H ASP 4 HN ASP 4 64.593 -6.358 4.343 30 HA ASP 4 HA ASP 4 63.460 -6.752 1.623 31 1HB ASP 4 HB2 ASP 4 62.319 -8.358 2.752 32 2HB ASP 4 HB1 ASP 4 63.080 -7.829 4.250 33 H TYR 5 HN TYR 5 63.408 -4.714 0.823 34 HA TYR 5 HA TYR 5 62.968 -2.354 0.878 35 1HB TYR 5 HB2 TYR 5 60.150 -2.819 0.932 36 2HB TYR 5 HB1 TYR 5 61.191 -2.544 -0.453 37 HD1 TYR 5 HD1 TYR 5 60.121 -5.257 1.899 38 HD2 TYR 5 HD2 TYR 5 61.595 -4.230 -2.001 39 HE1 TYR 5 HE1 TYR 5 59.866 -7.619 1.179 40 HE2 TYR 5 HE2 TYR 5 61.339 -6.589 -2.722 41 HH TYR 5 HH TYR 5 60.637 -9.130 -0.464 42 H TYR 6 HN TYR 6 60.163 -3.483 2.809 43 HA TYR 6 HA TYR 6 59.930 -1.266 4.485 44 1HB TYR 6 HB2 TYR 6 59.491 -4.216 4.859 45 2HB TYR 6 HB1 TYR 6 59.151 -3.083 6.170 46 HD1 TYR 6 HD2 TYR 6 57.825 -0.912 5.433 47 HD2 TYR 6 HD1 TYR 6 57.764 -4.653 3.320 48 HE1 TYR 6 HE2 TYR 6 55.678 -0.281 4.366 49 HE2 TYR 6 HE1 TYR 6 55.608 -4.014 2.250 50 HH TYR 6 HH TYR 6 53.616 -2.180 3.146 51 H GLU 7 HN GLU 7 62.294 -3.899 4.571 52 HA GLU 7 HA GLU 7 63.522 -2.873 7.077 53 1HB GLU 7 HB2 GLU 7 63.372 -5.322 5.605 54 2HB GLU 7 HB1 GLU 7 65.069 -4.843 5.660 55 1HG GLU 7 HG2 GLU 7 64.416 -6.237 7.619 56 2HG GLU 7 HG1 GLU 7 64.965 -4.629 8.092 57 H ILE 8 HN ILE 8 63.937 -2.946 3.605 58 HA ILE 8 HA ILE 8 66.558 -2.064 3.204 59 HB ILE 8 HB ILE 8 63.956 -1.441 1.873 60 1HG1 ILE 8 HG12 ILE 8 64.879 -3.834 2.016 61 2HG1 ILE 8 HG11 ILE 8 64.525 -3.244 0.391 62 1HG2 ILE 8 HG22 ILE 8 66.679 -0.500 1.282 63 2HG2 ILE 8 HG21 ILE 8 65.770 -1.126 -0.093 64 3HG2 ILE 8 HG23 ILE 8 65.120 0.207 0.860 65 1HD1 ILE 8 HD12 ILE 8 67.263 -3.048 1.668 66 2HD1 ILE 8 HD11 ILE 8 66.770 -4.396 0.643 67 3HD1 ILE 8 HD13 ILE 8 66.846 -2.764 -0.022 68 H LEU 9 HN LEU 9 63.621 -0.132 3.578 69 HA LEU 9 HA LEU 9 65.023 2.434 3.699 70 1HB LEU 9 HB2 LEU 9 62.172 1.719 4.449 71 2HB LEU 9 HB1 LEU 9 62.770 3.269 3.852 72 HG LEU 9 HG LEU 9 63.519 1.209 2.004 73 1HD1 LEU 9 HD12 LEU 9 61.106 0.595 3.312 74 2HD1 LEU 9 HD11 LEU 9 60.641 1.281 1.756 75 3HD1 LEU 9 HD13 LEU 9 61.715 -0.115 1.817 76 1HD2 LEU 9 HD22 LEU 9 62.082 3.790 2.074 77 2HD2 LEU 9 HD21 LEU 9 63.305 3.215 0.940 78 3HD2 LEU 9 HD23 LEU 9 61.622 2.722 0.749 79 H GLY 10 HN GLY 10 64.604 -0.065 5.919 80 1HA GLY 10 HA2 GLY 10 65.362 -0.066 8.173 81 2HA GLY 10 HA1 GLY 10 65.412 1.696 8.130 82 H VAL 11 HN VAL 11 62.490 0.406 6.913 83 HA VAL 11 HA VAL 11 61.127 1.261 9.438 84 HB VAL 11 HB VAL 11 59.324 0.617 7.297 85 1HG1 VAL 11 HG11 VAL 11 60.178 3.115 8.745 86 2HG1 VAL 11 HG13 VAL 11 58.940 3.147 7.489 87 3HG1 VAL 11 HG12 VAL 11 58.692 2.184 8.946 88 1HG2 VAL 11 HG23 VAL 11 61.738 2.218 6.518 89 2HG2 VAL 11 HG22 VAL 11 60.888 0.970 5.606 90 3HG2 VAL 11 HG21 VAL 11 60.164 2.565 5.805 91 H SER 12 HN SER 12 58.908 -0.015 9.636 92 HA SER 12 HA SER 12 59.626 -2.848 9.973 93 1HB SER 12 HB2 SER 12 58.340 -1.157 11.557 94 2HB SER 12 HB1 SER 12 56.953 -1.662 10.594 95 HG SER 12 HG SER 12 57.523 -2.933 12.557 96 H LYS 13 HN LYS 13 58.443 -4.568 8.956 97 HA LYS 13 HA LYS 13 57.669 -4.213 6.273 98 1HB LYS 13 HB2 LYS 13 56.612 -6.413 6.559 99 2HB LYS 13 HB1 LYS 13 58.184 -6.349 7.354 100 1HG LYS 13 HG2 LYS 13 56.735 -5.563 9.432 101 2HG LYS 13 HG1 LYS 13 55.448 -6.412 8.575 102 1HD LYS 13 HD2 LYS 13 56.429 -8.473 8.855 103 2HD LYS 13 HD1 LYS 13 58.065 -7.816 8.818 104 1HE LYS 13 HE2 LYS 13 58.081 -7.370 11.083 105 2HE LYS 13 HE1 LYS 13 56.339 -7.027 11.129 106 1HZ LYS 13 HZ1 LYS 13 57.041 -9.718 10.324 107 2HZ LYS 13 HZ3 LYS 13 57.427 -9.346 11.933 108 3HZ LYS 13 HZ2 LYS 13 55.826 -9.184 11.385 109 H THR 14 HN THR 14 56.040 -3.432 9.191 110 HA THR 14 HA THR 14 53.451 -3.037 7.777 111 HB THR 14 HB THR 14 52.492 -3.217 9.921 112 HG1 THR 14 HG1 THR 14 55.046 -2.610 10.993 113 1HG2 THR 14 HG22 THR 14 53.625 -5.329 9.278 114 2HG2 THR 14 HG21 THR 14 55.074 -4.798 10.133 115 3HG2 THR 14 HG23 THR 14 53.589 -5.117 11.030 116 H ALA 15 HN ALA 15 56.162 -1.328 7.965 117 HA ALA 15 HA ALA 15 55.759 1.123 9.253 118 1HB ALA 15 HB1 ALA 15 57.768 0.337 8.110 119 2HB ALA 15 HB3 ALA 15 56.956 0.495 6.552 120 3HB ALA 15 HB2 ALA 15 57.301 1.931 7.516 121 H GLU 16 HN GLU 16 55.906 2.530 6.453 122 HA GLU 16 HA GLU 16 53.258 2.482 5.370 123 1HB GLU 16 HB2 GLU 16 53.756 3.932 7.807 124 2HB GLU 16 HB1 GLU 16 53.351 5.076 6.522 125 1HG GLU 16 HG2 GLU 16 51.392 3.575 5.955 126 2HG GLU 16 HG1 GLU 16 51.742 2.682 7.436 127 H GLU 17 HN GLU 17 52.982 4.439 3.942 128 HA GLU 17 HA GLU 17 55.193 4.750 2.181 129 1HB GLU 17 HB2 GLU 17 52.926 4.937 1.425 130 2HB GLU 17 HB1 GLU 17 52.585 6.231 2.574 131 1HG GLU 17 HG2 GLU 17 54.842 7.038 1.046 132 2HG GLU 17 HG1 GLU 17 53.628 6.446 -0.086 133 H ARG 18 HN ARG 18 54.002 6.912 4.780 134 HA ARG 18 HA ARG 18 55.887 9.016 3.986 135 1HB ARG 18 HB2 ARG 18 54.890 10.192 5.910 136 2HB ARG 18 HB1 ARG 18 53.638 9.473 4.899 137 1HG ARG 18 HG2 ARG 18 52.997 8.007 6.513 138 2HG ARG 18 HG1 ARG 18 54.655 7.710 7.037 139 1HD ARG 18 HD2 ARG 18 53.184 8.919 8.741 140 2HD ARG 18 HD1 ARG 18 54.687 9.767 8.325 141 HE ARG 18 HE ARG 18 52.749 10.602 6.449 142 1HH1 ARG 18 HH11 ARG 18 53.724 10.973 9.717 143 2HH1 ARG 18 HH12 ARG 18 52.691 12.330 10.019 144 1HH2 ARG 18 HH21 ARG 18 51.225 12.252 6.877 145 2HH2 ARG 18 HH22 ARG 18 51.275 13.055 8.412 146 H GLU 19 HN GLU 19 56.158 6.199 5.873 147 HA GLU 19 HA GLU 19 58.414 7.359 7.451 148 1HB GLU 19 HB2 GLU 19 58.019 4.643 8.136 149 2HB GLU 19 HB1 GLU 19 57.553 6.045 9.091 150 1HG GLU 19 HG2 GLU 19 55.415 6.062 7.607 151 2HG GLU 19 HG1 GLU 19 55.875 4.409 7.198 152 H ILE 20 HN ILE 20 57.517 5.375 4.807 153 HA ILE 20 HA ILE 20 60.091 3.965 4.580 154 HB ILE 20 HB ILE 20 57.587 4.247 2.894 155 1HG1 ILE 20 HG12 ILE 20 57.732 2.947 5.173 156 2HG1 ILE 20 HG11 ILE 20 56.939 2.183 3.804 157 1HG2 ILE 20 HG22 ILE 20 60.239 3.191 2.256 158 2HG2 ILE 20 HG21 ILE 20 58.954 2.016 1.997 159 3HG2 ILE 20 HG23 ILE 20 58.899 3.580 1.180 160 1HD1 ILE 20 HD12 ILE 20 59.879 1.771 4.112 161 2HD1 ILE 20 HD11 ILE 20 58.809 0.916 5.222 162 3HD1 ILE 20 HD13 ILE 20 58.654 0.671 3.483 163 H ARG 21 HN ARG 21 58.238 6.272 2.546 164 HA ARG 21 HA ARG 21 60.376 7.022 0.820 165 1HB ARG 21 HB2 ARG 21 58.929 8.943 0.364 166 2HB ARG 21 HB1 ARG 21 57.895 7.539 0.636 167 1HG ARG 21 HG2 ARG 21 56.878 9.136 1.996 168 2HG ARG 21 HG1 ARG 21 57.952 8.329 3.139 169 1HD ARG 21 HD2 ARG 21 58.986 10.301 3.542 170 2HD ARG 21 HD1 ARG 21 59.435 10.410 1.828 171 HE ARG 21 HE ARG 21 57.675 11.954 1.570 172 1HH1 ARG 21 HH11 ARG 21 57.636 11.488 4.774 173 2HH1 ARG 21 HH12 ARG 21 55.918 11.516 4.995 174 1HH2 ARG 21 HH21 ARG 21 55.212 11.281 1.609 175 2HH2 ARG 21 HH22 ARG 21 54.546 11.400 3.204 176 H LYS 22 HN LYS 22 59.506 7.836 4.067 177 HA LYS 22 HA LYS 22 61.278 10.123 4.400 178 1HB LYS 22 HB2 LYS 22 59.342 10.049 5.756 179 2HB LYS 22 HB1 LYS 22 59.528 8.327 6.081 180 1HG LYS 22 HG2 LYS 22 60.120 9.874 8.017 181 2HG LYS 22 HG1 LYS 22 61.366 8.710 7.566 182 1HD LYS 22 HD2 LYS 22 62.531 10.753 7.786 183 2HD LYS 22 HD1 LYS 22 62.301 10.578 6.049 184 1HE LYS 22 HE2 LYS 22 60.575 12.193 5.990 185 2HE LYS 22 HE1 LYS 22 60.296 12.083 7.740 186 1HZ LYS 22 HZ1 LYS 22 62.908 12.903 6.610 187 2HZ LYS 22 HZ3 LYS 22 61.686 14.032 6.943 188 3HZ LYS 22 HZ2 LYS 22 62.341 13.098 8.200 189 H ALA 23 HN ALA 23 61.297 6.688 5.335 190 HA ALA 23 HA ALA 23 63.601 6.494 6.883 191 1HB ALA 23 HB1 ALA 23 61.920 4.819 5.239 192 2HB ALA 23 HB3 ALA 23 63.604 4.334 5.052 193 3HB ALA 23 HB2 ALA 23 62.871 4.365 6.656 194 H TYR 24 HN TYR 24 63.438 6.244 3.319 195 HA TYR 24 HA TYR 24 66.266 6.196 2.870 196 1HB TYR 24 HB2 TYR 24 64.300 5.603 1.326 197 2HB TYR 24 HB1 TYR 24 64.064 7.335 1.110 198 HD1 TYR 24 HD2 TYR 24 67.293 5.501 1.476 199 HD2 TYR 24 HD1 TYR 24 64.688 7.692 -1.146 200 HE1 TYR 24 HE2 TYR 24 69.075 5.562 -0.247 201 HE2 TYR 24 HE1 TYR 24 66.470 7.749 -2.870 202 HH TYR 24 HH TYR 24 69.706 6.908 -2.192 203 H LYS 25 HN LYS 25 63.824 8.733 2.605 204 HA LYS 25 HA LYS 25 65.240 11.039 2.141 205 1HB LYS 25 HB2 LYS 25 62.810 10.122 3.333 206 2HB LYS 25 HB1 LYS 25 63.443 11.417 4.344 207 1HG LYS 25 HG2 LYS 25 62.795 12.959 2.830 208 2HG LYS 25 HG1 LYS 25 63.734 12.150 1.574 209 1HD LYS 25 HD2 LYS 25 61.918 10.691 1.024 210 2HD LYS 25 HD1 LYS 25 61.012 11.171 2.459 211 1HE LYS 25 HE2 LYS 25 60.034 12.365 0.600 212 2HE LYS 25 HE1 LYS 25 61.013 13.550 1.488 213 1HZ LYS 25 HZ1 LYS 25 62.893 12.918 0.004 214 2HZ LYS 25 HZ3 LYS 25 61.801 12.021 -0.933 215 3HZ LYS 25 HZ2 LYS 25 61.618 13.704 -0.796 216 H ARG 26 HN ARG 26 65.232 9.089 5.081 217 HA ARG 26 HA ARG 26 66.726 11.076 6.654 218 1HB ARG 26 HB2 ARG 26 65.864 8.200 7.097 219 2HB ARG 26 HB1 ARG 26 66.641 9.194 8.330 220 1HG ARG 26 HG2 ARG 26 64.475 10.677 7.164 221 2HG ARG 26 HG1 ARG 26 63.881 9.095 7.672 222 1HD ARG 26 HD2 ARG 26 63.701 10.667 9.551 223 2HD ARG 26 HD1 ARG 26 64.972 9.482 9.915 224 HE ARG 26 HE ARG 26 65.897 11.891 8.505 225 1HH1 ARG 26 HH11 ARG 26 68.003 10.761 9.904 226 2HH1 ARG 26 HH12 ARG 26 67.996 11.484 11.478 227 1HH2 ARG 26 HH21 ARG 26 64.730 12.622 11.228 228 2HH2 ARG 26 HH22 ARG 26 66.141 12.533 12.230 229 H LEU 27 HN LEU 27 67.371 7.832 5.279 230 HA LEU 27 HA LEU 27 70.196 7.927 6.017 231 1HB LEU 27 HB2 LEU 27 70.217 5.726 5.121 232 2HB LEU 27 HB1 LEU 27 68.597 5.912 5.792 233 HG LEU 27 HG LEU 27 67.997 6.747 3.382 234 1HD1 LEU 27 HD12 LEU 27 70.731 6.094 3.070 235 2HD1 LEU 27 HD11 LEU 27 69.824 4.830 2.239 236 3HD1 LEU 27 HD13 LEU 27 69.585 6.521 1.799 237 1HD2 LEU 27 HD21 LEU 27 68.432 3.940 4.362 238 2HD2 LEU 27 HD23 LEU 27 66.916 4.809 4.128 239 3HD2 LEU 27 HD22 LEU 27 67.815 4.214 2.733 240 H ALA 28 HN ALA 28 68.241 8.479 3.142 241 HA ALA 28 HA ALA 28 70.417 8.676 1.274 242 1HB ALA 28 HB3 ALA 28 67.519 9.512 1.426 243 2HB ALA 28 HB2 ALA 28 68.492 9.860 -0.001 244 3HB ALA 28 HB1 ALA 28 68.222 8.190 0.498 245 H MET 29 HN MET 29 68.545 11.083 3.143 246 HA MET 29 HA MET 29 69.916 13.385 2.109 247 1HB MET 29 HB2 MET 29 68.959 14.481 4.061 248 2HB MET 29 HB1 MET 29 67.786 13.289 3.500 249 1HG MET 29 HG2 MET 29 68.381 11.748 5.221 250 2HG MET 29 HG1 MET 29 69.833 12.657 5.636 251 1HE MET 29 HE1 MET 29 69.990 13.437 7.569 252 2HE MET 29 HE3 MET 29 68.836 14.275 8.616 253 3HE MET 29 HE2 MET 29 68.731 12.529 8.403 254 H LYS 30 HN LYS 30 70.665 10.923 4.456 255 HA LYS 30 HA LYS 30 73.057 12.328 5.484 256 1HB LYS 30 HB2 LYS 30 71.306 10.101 6.193 257 2HB LYS 30 HB1 LYS 30 73.008 9.670 6.363 258 1HG LYS 30 HG2 LYS 30 73.303 11.059 8.132 259 2HG LYS 30 HG1 LYS 30 72.362 12.352 7.386 260 1HD LYS 30 HD2 LYS 30 70.738 11.855 8.876 261 2HD LYS 30 HD1 LYS 30 70.465 10.389 7.934 262 1HE LYS 30 HE2 LYS 30 72.406 10.636 10.263 263 2HE LYS 30 HE1 LYS 30 70.833 9.816 10.311 264 1HZ LYS 30 HZ1 LYS 30 71.921 8.770 8.100 265 2HZ LYS 30 HZ3 LYS 30 73.308 8.979 9.054 266 3HZ LYS 30 HZ2 LYS 30 72.013 8.043 9.631 267 H TYR 31 HN TYR 31 72.211 10.159 2.928 268 HA TYR 31 HA TYR 31 75.099 9.442 2.563 269 1HB TYR 31 HB2 TYR 31 72.548 7.966 2.336 270 2HB TYR 31 HB1 TYR 31 73.708 7.666 1.045 271 HD1 TYR 31 HD1 TYR 31 76.262 8.089 2.614 272 HD2 TYR 31 HD2 TYR 31 72.675 5.922 3.561 273 HE1 TYR 31 HE1 TYR 31 77.548 6.633 4.138 274 HE2 TYR 31 HE2 TYR 31 73.967 4.460 5.086 275 HH TYR 31 HH TYR 31 75.988 4.389 6.292 276 H HIS 32 HN HIS 32 73.262 11.693 1.585 277 HA HIS 32 HA HIS 32 72.819 11.598 -1.183 278 1HB HIS 32 HB2 HIS 32 72.699 13.997 -0.840 279 2HB HIS 32 HB1 HIS 32 72.128 13.196 0.607 280 HD1 HIS 32 HD1 HIS 32 73.096 14.022 2.712 281 HD2 HIS 32 HD2 HIS 32 75.761 14.534 -0.452 282 HE1 HIS 32 HE1 HIS 32 75.142 15.165 3.672 283 HA PRO 33 HA PRO 33 76.626 12.224 -3.235 284 1HB PRO 33 HB2 PRO 33 77.328 14.842 -3.675 285 2HB PRO 33 HB1 PRO 33 76.085 13.978 -4.604 286 1HG PRO 33 HG2 PRO 33 75.775 15.883 -2.344 287 2HG PRO 33 HG1 PRO 33 74.805 15.708 -3.813 288 1HD PRO 33 HD2 PRO 33 74.046 14.792 -1.411 289 2HD PRO 33 HD1 PRO 33 73.540 14.023 -2.931 290 H ASP 34 HN ASP 34 76.986 11.738 -0.622 291 HA ASP 34 HA ASP 34 79.368 13.349 0.226 292 1HB ASP 34 HB2 ASP 34 78.814 12.569 2.463 293 2HB ASP 34 HB1 ASP 34 77.319 13.153 1.734 294 H ARG 35 HN ARG 35 78.003 10.107 -0.177 295 HA ARG 35 HA ARG 35 80.744 9.026 -0.629 296 1HB ARG 35 HB2 ARG 35 80.068 7.066 0.749 297 2HB ARG 35 HB1 ARG 35 80.022 8.558 1.691 298 1HG ARG 35 HG2 ARG 35 77.974 7.483 2.210 299 2HG ARG 35 HG1 ARG 35 77.532 8.690 1.003 300 1HD ARG 35 HD2 ARG 35 76.707 7.056 -0.307 301 2HD ARG 35 HD1 ARG 35 78.314 6.311 -0.379 302 HE ARG 35 HE ARG 35 76.215 5.644 1.622 303 1HH1 ARG 35 HH21 ARG 35 77.711 4.620 3.375 304 2HH1 ARG 35 HH22 ARG 35 78.688 3.342 2.741 305 1HH2 ARG 35 HH11 ARG 35 78.168 4.223 -0.570 306 2HH2 ARG 35 HH12 ARG 35 78.946 3.114 0.509 307 H ASN 36 HN ASN 36 77.249 8.916 -1.186 308 HA ASN 36 HA ASN 36 76.855 6.590 -2.619 309 1HB ASN 36 HB2 ASN 36 75.855 9.397 -2.712 310 2HB ASN 36 HB1 ASN 36 75.381 8.327 -4.031 311 1HD2 ASN 36 HD22 ASN 36 72.818 7.840 -1.404 312 2HD2 ASN 36 HD21 ASN 36 73.281 9.078 -2.469 313 H GLN 37 HN GLN 37 78.828 9.312 -3.545 314 HA GLN 37 HA GLN 37 78.931 8.999 -6.364 315 1HB GLN 37 HB2 GLN 37 81.212 9.705 -4.496 316 2HB GLN 37 HB1 GLN 37 80.971 10.269 -6.150 317 1HG GLN 37 HG2 GLN 37 78.607 11.003 -4.944 318 2HG GLN 37 HG1 GLN 37 79.778 11.251 -3.648 319 1HE2 GLN 37 HE22 GLN 37 80.096 14.435 -5.305 320 2HE2 GLN 37 HE21 GLN 37 79.237 13.642 -4.075 321 H GLY 38 HN GLY 38 79.980 6.875 -3.875 322 1HA GLY 38 HA2 GLY 38 82.267 5.621 -4.744 323 2HA GLY 38 HA1 GLY 38 80.902 4.711 -4.095 324 H ASP 39 HN ASP 39 78.992 5.017 -6.060 325 HA ASP 39 HA ASP 39 78.378 4.342 -8.255 326 1HB ASP 39 HB2 ASP 39 80.897 5.571 -8.443 327 2HB ASP 39 HB1 ASP 39 81.058 4.056 -9.330 328 H LYS 40 HN LYS 40 81.454 2.797 -7.263 329 HA LYS 40 HA LYS 40 81.213 0.314 -8.505 330 1HB LYS 40 HB2 LYS 40 82.840 1.569 -6.660 331 2HB LYS 40 HB1 LYS 40 82.144 0.250 -5.720 332 1HG LYS 40 HG2 LYS 40 82.741 -1.136 -7.926 333 2HG LYS 40 HG1 LYS 40 83.951 0.139 -8.092 334 1HD LYS 40 HD2 LYS 40 84.097 -0.533 -5.403 335 2HD LYS 40 HD1 LYS 40 83.855 -2.088 -6.198 336 1HE LYS 40 HE2 LYS 40 85.885 -0.133 -7.282 337 2HE LYS 40 HE1 LYS 40 86.303 -1.229 -5.949 338 1HZ LYS 40 HZ2 LYS 40 84.970 -2.158 -8.430 339 2HZ LYS 40 HZ1 LYS 40 86.660 -2.144 -8.256 340 3HZ LYS 40 HZ3 LYS 40 85.710 -3.101 -7.227 341 H GLU 41 HN GLU 41 78.995 -0.247 -8.512 342 HA GLU 41 HA GLU 41 77.045 -1.312 -7.781 343 1HB GLU 41 HB2 GLU 41 77.454 -3.210 -6.404 344 2HB GLU 41 HB1 GLU 41 78.927 -2.945 -7.335 345 1HG GLU 41 HG2 GLU 41 80.115 -2.206 -5.515 346 2HG GLU 41 HG1 GLU 41 78.687 -1.591 -4.687 347 H ALA 42 HN ALA 42 78.721 0.518 -5.199 348 HA ALA 42 HA ALA 42 76.681 0.335 -3.215 349 1HB ALA 42 HB3 ALA 42 79.085 1.326 -3.183 350 2HB ALA 42 HB2 ALA 42 78.344 2.787 -3.837 351 3HB ALA 42 HB1 ALA 42 77.849 2.176 -2.258 352 H GLU 43 HN GLU 43 76.755 1.741 -6.317 353 HA GLU 43 HA GLU 43 75.013 3.994 -6.067 354 1HB GLU 43 HB2 GLU 43 76.339 3.190 -8.078 355 2HB GLU 43 HB1 GLU 43 75.091 1.964 -8.306 356 1HG GLU 43 HG2 GLU 43 73.841 3.463 -9.407 357 2HG GLU 43 HG1 GLU 43 73.744 4.429 -7.933 358 H ALA 44 HN ALA 44 74.317 0.608 -6.823 359 HA ALA 44 HA ALA 44 71.568 0.864 -7.170 360 1HB ALA 44 HB1 ALA 44 73.191 -1.077 -7.635 361 2HB ALA 44 HB3 ALA 44 72.932 -1.541 -5.953 362 3HB ALA 44 HB2 ALA 44 71.576 -1.520 -7.081 363 H LYS 45 HN LYS 45 73.215 -0.236 -4.159 364 HA LYS 45 HA LYS 45 71.011 -0.560 -2.512 365 1HB LYS 45 HB2 LYS 45 73.284 -0.901 -1.739 366 2HB LYS 45 HB1 LYS 45 73.646 0.823 -1.919 367 1HG LYS 45 HG2 LYS 45 72.249 1.430 -0.121 368 2HG LYS 45 HG1 LYS 45 71.361 -0.092 -0.179 369 1HD LYS 45 HD2 LYS 45 72.891 -1.180 1.105 370 2HD LYS 45 HD1 LYS 45 74.254 -0.401 0.303 371 1HE LYS 45 HE2 LYS 45 74.424 1.167 1.938 372 2HE LYS 45 HE1 LYS 45 72.679 1.486 1.905 373 1HZ LYS 45 HZ2 LYS 45 72.535 -0.857 2.952 374 2HZ LYS 45 HZ1 LYS 45 74.153 -0.588 3.392 375 3HZ LYS 45 HZ3 LYS 45 72.939 0.461 3.944 376 H PHE 46 HN PHE 46 72.231 2.437 -3.856 377 HA PHE 46 HA PHE 46 70.805 4.216 -2.066 378 1HB PHE 46 HB2 PHE 46 71.789 4.640 -4.906 379 2HB PHE 46 HB1 PHE 46 71.483 5.896 -3.706 380 HD1 PHE 46 HD1 PHE 46 72.589 3.965 -1.402 381 HD2 PHE 46 HD2 PHE 46 74.140 5.432 -5.130 382 HE1 PHE 46 HE1 PHE 46 74.901 3.700 -0.545 383 HE2 PHE 46 HE2 PHE 46 76.451 5.167 -4.272 384 HZ PHE 46 HZ PHE 46 76.833 4.301 -1.981 385 H LYS 47 HN LYS 47 70.136 3.110 -5.438 386 HA LYS 47 HA LYS 47 67.411 4.262 -5.211 387 1HB LYS 47 HB2 LYS 47 67.499 4.229 -7.504 388 2HB LYS 47 HB1 LYS 47 69.219 3.939 -7.268 389 1HG LYS 47 HG2 LYS 47 67.179 1.708 -7.459 390 2HG LYS 47 HG1 LYS 47 68.067 2.329 -8.850 391 1HD LYS 47 HD2 LYS 47 70.048 1.923 -6.944 392 2HD LYS 47 HD1 LYS 47 68.972 0.542 -6.729 393 1HE LYS 47 HE2 LYS 47 70.360 -0.254 -8.445 394 2HE LYS 47 HE1 LYS 47 69.055 0.482 -9.396 395 1HZ LYS 47 HZ3 LYS 47 70.698 2.573 -8.748 396 2HZ LYS 47 HZ2 LYS 47 71.780 1.316 -9.121 397 3HZ LYS 47 HZ1 LYS 47 70.614 1.803 -10.257 398 H GLU 48 HN GLU 48 69.086 1.280 -4.842 399 HA GLU 48 HA GLU 48 67.126 -0.716 -5.179 400 1HB GLU 48 HB2 GLU 48 69.344 -0.173 -3.194 401 2HB GLU 48 HB1 GLU 48 68.395 -1.648 -3.089 402 1HG GLU 48 HG2 GLU 48 69.655 -0.839 -5.697 403 2HG GLU 48 HG1 GLU 48 70.610 -1.668 -4.470 404 H ILE 49 HN ILE 49 67.734 1.645 -2.715 405 HA ILE 49 HA ILE 49 65.716 0.826 -0.809 406 HB ILE 49 HB ILE 49 67.158 3.415 -1.391 407 1HG1 ILE 49 HG12 ILE 49 67.676 1.545 0.899 408 2HG1 ILE 49 HG11 ILE 49 68.373 1.216 -0.686 409 1HG2 ILE 49 HG21 ILE 49 65.140 2.674 0.648 410 2HG2 ILE 49 HG23 ILE 49 66.535 3.590 1.219 411 3HG2 ILE 49 HG22 ILE 49 65.509 4.249 -0.054 412 1HD1 ILE 49 HD11 ILE 49 69.110 3.744 -0.553 413 2HD1 ILE 49 HD13 ILE 49 68.917 3.500 1.183 414 3HD1 ILE 49 HD12 ILE 49 70.056 2.508 0.273 415 H LYS 50 HN LYS 50 65.938 3.374 -3.258 416 HA LYS 50 HA LYS 50 63.324 4.477 -2.968 417 1HB LYS 50 HB2 LYS 50 65.184 5.495 -4.227 418 2HB LYS 50 HB1 LYS 50 65.127 4.176 -5.397 419 1HG LYS 50 HG2 LYS 50 63.049 4.866 -6.261 420 2HG LYS 50 HG1 LYS 50 62.680 5.843 -4.840 421 1HD LYS 50 HD2 LYS 50 63.335 7.531 -6.265 422 2HD LYS 50 HD1 LYS 50 64.915 7.105 -5.607 423 1HE LYS 50 HE2 LYS 50 65.226 7.130 -7.979 424 2HE LYS 50 HE1 LYS 50 65.059 5.411 -7.570 425 1HZ LYS 50 HZ2 LYS 50 62.638 5.659 -7.945 426 2HZ LYS 50 HZ1 LYS 50 62.915 7.232 -8.523 427 3HZ LYS 50 HZ3 LYS 50 63.558 5.901 -9.353 428 H GLU 51 HN GLU 51 64.498 1.592 -4.563 429 HA GLU 51 HA GLU 51 62.184 1.047 -6.206 430 1HB GLU 51 HB2 GLU 51 64.463 0.119 -6.505 431 2HB GLU 51 HB1 GLU 51 64.300 -0.752 -4.980 432 1HG GLU 51 HG2 GLU 51 63.577 -2.437 -6.352 433 2HG GLU 51 HG1 GLU 51 62.041 -1.577 -6.220 434 H ALA 52 HN ALA 52 62.983 0.551 -2.840 435 HA ALA 52 HA ALA 52 61.206 -1.532 -2.098 436 1HB ALA 52 HB2 ALA 52 63.001 0.126 -0.895 437 2HB ALA 52 HB1 ALA 52 61.490 0.825 -0.313 438 3HB ALA 52 HB3 ALA 52 61.858 -0.869 0.006 439 H TYR 53 HN TYR 53 60.523 1.636 -3.263 440 HA TYR 53 HA TYR 53 57.972 2.008 -1.993 441 1HB TYR 53 HB2 TYR 53 59.148 3.043 -4.586 442 2HB TYR 53 HB1 TYR 53 57.722 3.712 -3.794 443 HD1 TYR 53 HD1 TYR 53 59.029 3.008 -0.939 444 HD2 TYR 53 HD2 TYR 53 60.256 5.277 -4.372 445 HE1 TYR 53 HE1 TYR 53 60.479 4.386 0.501 446 HE2 TYR 53 HE2 TYR 53 61.712 6.659 -2.929 447 HH TYR 53 HH TYR 53 61.964 6.032 0.577 448 H GLU 54 HN GLU 54 59.011 0.524 -5.035 449 HA GLU 54 HA GLU 54 56.485 0.038 -6.226 450 1HB GLU 54 HB2 GLU 54 58.698 -2.022 -6.144 451 2HB GLU 54 HB1 GLU 54 57.636 -1.610 -7.489 452 1HG GLU 54 HG2 GLU 54 58.933 0.778 -6.872 453 2HG GLU 54 HG1 GLU 54 60.189 -0.452 -6.739 454 H VAL 55 HN VAL 55 58.018 -1.262 -3.411 455 HA VAL 55 HA VAL 55 56.083 -3.467 -3.217 456 HB VAL 55 HB VAL 55 58.780 -3.008 -2.511 457 1HG1 VAL 55 HG11 VAL 55 56.972 -3.372 -0.109 458 2HG1 VAL 55 HG13 VAL 55 58.693 -3.751 -0.094 459 3HG1 VAL 55 HG12 VAL 55 58.159 -2.094 -0.367 460 1HG2 VAL 55 HG22 VAL 55 56.893 -5.140 -2.786 461 2HG2 VAL 55 HG21 VAL 55 58.654 -5.216 -2.863 462 3HG2 VAL 55 HG23 VAL 55 57.831 -5.402 -1.314 463 H LEU 56 HN LEU 56 57.192 -0.674 -1.234 464 HA LEU 56 HA LEU 56 54.867 -1.106 0.533 465 1HB LEU 56 HB2 LEU 56 56.377 -0.354 2.008 466 2HB LEU 56 HB1 LEU 56 57.507 -0.049 0.698 467 HG LEU 56 HG LEU 56 57.148 1.962 2.034 468 1HD1 LEU 56 HD13 LEU 56 56.761 1.704 -0.766 469 2HD1 LEU 56 HD12 LEU 56 55.747 3.019 -0.184 470 3HD1 LEU 56 HD11 LEU 56 57.485 3.046 0.113 471 1HD2 LEU 56 HD22 LEU 56 54.452 1.062 2.006 472 2HD2 LEU 56 HD21 LEU 56 55.121 2.450 2.866 473 3HD2 LEU 56 HD23 LEU 56 54.489 2.647 1.231 474 H THR 57 HN THR 57 55.645 1.085 -2.152 475 HA THR 57 HA THR 57 53.477 2.953 -1.374 476 HB THR 57 HB THR 57 54.094 4.128 -3.446 477 HG1 THR 57 HG1 THR 57 56.144 2.919 -4.365 478 1HG2 THR 57 HG23 THR 57 55.528 4.364 -1.369 479 2HG2 THR 57 HG22 THR 57 56.646 3.223 -2.113 480 3HG2 THR 57 HG21 THR 57 56.328 4.767 -2.887 481 H ASP 58 HN ASP 58 52.652 0.206 -1.793 482 HA ASP 58 HA ASP 58 50.620 0.676 -3.892 483 1HB ASP 58 HB2 ASP 58 53.003 -0.880 -4.249 484 2HB ASP 58 HB1 ASP 58 51.615 -1.973 -4.238 485 H SER 59 HN SER 59 48.796 0.280 -2.904 486 HA SER 59 HA SER 59 48.329 -0.827 -0.482 487 1HB SER 59 HB2 SER 59 46.743 -0.914 -3.040 488 2HB SER 59 HB1 SER 59 46.061 -1.493 -1.524 489 HG SER 59 HG SER 59 46.937 0.702 -0.767 490 H GLN 60 HN GLN 60 48.473 -2.705 -3.519 491 HA GLN 60 HA GLN 60 47.985 -5.261 -2.253 492 1HB GLN 60 HB2 GLN 60 47.584 -4.785 -4.627 493 2HB GLN 60 HB1 GLN 60 49.303 -4.465 -4.869 494 1HG GLN 60 HG2 GLN 60 49.141 -6.997 -3.620 495 2HG GLN 60 HG1 GLN 60 47.920 -6.996 -4.893 496 1HE2 GLN 60 HE22 GLN 60 51.557 -7.725 -6.088 497 2HE2 GLN 60 HE21 GLN 60 50.848 -8.161 -4.610 498 H LYS 61 HN LYS 61 50.923 -3.471 -3.119 499 HA LYS 61 HA LYS 61 52.777 -5.596 -2.388 500 1HB LYS 61 HB2 LYS 61 53.178 -2.623 -2.702 501 2HB LYS 61 HB1 LYS 61 54.409 -3.872 -2.830 502 1HG LYS 61 HG2 LYS 61 51.996 -3.715 -4.637 503 2HG LYS 61 HG1 LYS 61 53.564 -3.014 -5.039 504 1HD LYS 61 HD2 LYS 61 53.966 -5.712 -4.146 505 2HD LYS 61 HD1 LYS 61 52.718 -5.712 -5.392 506 1HE LYS 61 HE2 LYS 61 55.325 -4.210 -5.750 507 2HE LYS 61 HE1 LYS 61 55.129 -5.902 -6.247 508 1HZ LYS 61 HZ1 LYS 61 52.956 -5.024 -7.306 509 2HZ LYS 61 HZ3 LYS 61 53.714 -3.509 -7.229 510 3HZ LYS 61 HZ2 LYS 61 54.426 -4.769 -8.119 511 H ARG 62 HN ARG 62 51.926 -2.499 -0.832 512 HA ARG 62 HA ARG 62 53.520 -3.056 1.483 513 1HB ARG 62 HB2 ARG 62 52.383 -1.069 2.350 514 2HB ARG 62 HB1 ARG 62 52.672 -0.825 0.625 515 1HG ARG 62 HG2 ARG 62 50.362 -1.704 0.185 516 2HG ARG 62 HG1 ARG 62 50.092 -1.732 1.925 517 1HD ARG 62 HD2 ARG 62 51.149 0.832 0.870 518 2HD ARG 62 HD1 ARG 62 49.492 0.425 0.376 519 HE ARG 62 HE ARG 62 49.994 -0.061 3.212 520 1HH1 ARG 62 HH21 ARG 62 47.386 0.832 1.933 521 2HH1 ARG 62 HH22 ARG 62 47.259 2.456 2.520 522 1HH2 ARG 62 HH11 ARG 62 50.581 2.647 3.494 523 2HH2 ARG 62 HH12 ARG 62 49.068 3.485 3.400 524 H ALA 63 HN ALA 63 50.336 -4.020 0.501 525 HA ALA 63 HA ALA 63 49.485 -4.777 3.234 526 1HB ALA 63 HB3 ALA 63 47.909 -3.850 1.559 527 2HB ALA 63 HB2 ALA 63 48.260 -5.205 0.485 528 3HB ALA 63 HB1 ALA 63 47.441 -5.486 2.023 529 H ALA 64 HN ALA 64 51.069 -6.138 0.491 530 HA ALA 64 HA ALA 64 50.530 -8.938 1.263 531 1HB ALA 64 HB3 ALA 64 51.832 -7.412 -0.959 532 2HB ALA 64 HB2 ALA 64 52.283 -9.102 -0.738 533 3HB ALA 64 HB1 ALA 64 50.601 -8.671 -1.045 534 H TYR 65 HN TYR 65 53.221 -6.615 1.252 535 HA TYR 65 HA TYR 65 55.145 -8.559 2.265 536 1HB TYR 65 HB2 TYR 65 55.009 -5.646 1.577 537 2HB TYR 65 HB1 TYR 65 56.385 -6.230 2.527 538 HD1 TYR 65 HD2 TYR 65 57.639 -8.300 1.652 539 HD2 TYR 65 HD1 TYR 65 54.962 -5.964 -0.759 540 HE1 TYR 65 HE2 TYR 65 58.651 -9.261 -0.397 541 HE2 TYR 65 HE1 TYR 65 55.971 -6.929 -2.813 542 HH TYR 65 HH TYR 65 58.488 -8.021 -3.285 543 H ASP 66 HN ASP 66 52.863 -6.336 3.723 544 HA ASP 66 HA ASP 66 54.201 -6.015 6.259 545 1HB ASP 66 HB2 ASP 66 52.221 -4.927 6.857 546 2HB ASP 66 HB1 ASP 66 52.130 -4.828 5.101 547 H GLN 67 HN GLN 67 52.504 -8.632 4.777 548 HA GLN 67 HA GLN 67 52.553 -10.138 7.375 549 1HB GLN 67 HB2 GLN 67 50.561 -11.352 6.290 550 2HB GLN 67 HB1 GLN 67 50.271 -9.690 6.806 551 1HG GLN 67 HG2 GLN 67 50.425 -8.856 4.593 552 2HG GLN 67 HG1 GLN 67 51.184 -10.335 4.002 553 1HE2 GLN 67 HE22 GLN 67 47.581 -10.452 3.029 554 2HE2 GLN 67 HE21 GLN 67 48.888 -9.426 2.680 555 H TYR 68 HN TYR 68 54.214 -9.852 4.629 556 HA TYR 68 HA TYR 68 55.396 -11.345 3.208 557 1HB TYR 68 HB2 TYR 68 55.332 -12.351 6.005 558 2HB TYR 68 HB1 TYR 68 55.886 -13.504 4.786 559 HD1 TYR 68 HD2 TYR 68 57.534 -12.404 2.960 560 HD2 TYR 68 HD1 TYR 68 56.943 -10.975 6.967 561 HE1 TYR 68 HE2 TYR 68 59.741 -11.275 2.882 562 HE2 TYR 68 HE1 TYR 68 59.150 -9.846 6.890 563 HH TYR 68 HH TYR 68 61.120 -9.739 5.740 564 H GLY 69 HN GLY 69 52.483 -11.499 3.047 565 1HA GLY 69 HA2 GLY 69 51.159 -12.936 1.640 566 2HA GLY 69 HA1 GLY 69 52.260 -14.268 2.009 567 H HIS 70 HN HIS 70 49.488 -14.642 2.270 568 HA HIS 70 HA HIS 70 48.647 -14.165 5.014 569 1HB HIS 70 HB2 HIS 70 46.667 -15.301 4.306 570 2HB HIS 70 HB1 HIS 70 47.253 -14.472 2.860 571 HD1 HIS 70 HD1 HIS 70 46.383 -17.786 4.136 572 HD2 HIS 70 HD2 HIS 70 48.801 -16.289 1.088 573 HE1 HIS 70 HE1 HIS 70 46.856 -19.727 2.579 574 H ALA 71 HN ALA 71 50.972 -16.184 3.814 575 HA ALA 71 HA ALA 71 50.382 -18.655 5.232 576 1HB ALA 71 HB3 ALA 71 52.334 -17.534 3.409 577 2HB ALA 71 HB2 ALA 71 53.152 -18.387 4.718 578 3HB ALA 71 HB1 ALA 71 51.966 -19.230 3.723 579 H ALA 72 HN ALA 72 52.212 -15.700 5.909 580 HA ALA 72 HA ALA 72 53.715 -16.439 8.154 581 1HB ALA 72 HB1 ALA 72 53.419 -14.195 6.872 582 2HB ALA 72 HB3 ALA 72 52.098 -13.891 8.001 583 3HB ALA 72 HB2 ALA 72 53.742 -14.110 8.604 584 H PHE 73 HN PHE 73 50.261 -16.220 7.805 585 HA PHE 73 HA PHE 73 49.798 -16.232 10.738 586 1HB PHE 73 HB2 PHE 73 48.222 -15.880 8.216 587 2HB PHE 73 HB1 PHE 73 47.361 -16.409 9.667 588 HD1 PHE 73 HD1 PHE 73 49.982 -13.901 8.685 589 HD2 PHE 73 HD2 PHE 73 46.512 -14.758 11.068 590 HE1 PHE 73 HE1 PHE 73 49.999 -11.576 9.545 591 HE2 PHE 73 HE2 PHE 73 46.529 -12.432 11.928 592 HZ PHE 73 HZ PHE 73 48.272 -10.840 11.165 593 H GLU 74 HN GLU 74 50.002 -18.425 8.056 594 HA GLU 74 HA GLU 74 49.383 -20.698 9.869 595 1HB GLU 74 HB2 GLU 74 48.065 -20.271 7.167 596 2HB GLU 74 HB1 GLU 74 47.745 -21.588 8.295 597 1HG GLU 74 HG2 GLU 74 47.040 -19.851 9.989 598 2HG GLU 74 HG1 GLU 74 47.157 -18.645 8.707 599 H GLN 75 HN GLN 75 51.320 -21.797 9.665 600 HA GLN 75 HA GLN 75 52.543 -22.020 6.943 601 1HB GLN 75 HB2 GLN 75 53.496 -22.018 9.781 602 2HB GLN 75 HB1 GLN 75 54.451 -22.903 8.589 603 1HG GLN 75 HG2 GLN 75 54.929 -20.979 7.347 604 2HG GLN 75 HG1 GLN 75 53.540 -20.101 7.992 605 1HE2 GLN 75 HE22 GLN 75 55.559 -18.566 10.421 606 2HE2 GLN 75 HE21 GLN 75 54.269 -18.443 9.325 607 H GLY 76 HN GLY 76 53.970 -24.269 7.059 608 1HA GLY 76 HA2 GLY 76 52.254 -26.462 8.086 609 2HA GLY 76 HA1 GLY 76 52.588 -26.425 6.353 610 H GLY 77 HN GLY 77 53.496 -28.648 7.401 611 1HA GLY 77 HA2 GLY 77 56.162 -28.916 6.860 612 2HA GLY 77 HA1 GLY 77 56.185 -28.355 8.533 No H/Q in entry = 612 Start of MODEL 15 1 1H ALA 1 HT1 ALA 1 67.121 -12.469 3.021 2 2H ALA 1 HT3 ALA 1 68.358 -12.389 1.863 3 3H ALA 1 HT2 ALA 1 67.677 -13.889 2.273 4 HA ALA 1 HA ALA 1 68.771 -14.013 4.288 5 1HB ALA 1 HB1 ALA 1 70.138 -13.198 1.911 6 2HB ALA 1 HB3 ALA 1 70.979 -12.490 3.289 7 3HB ALA 1 HB2 ALA 1 70.739 -14.235 3.205 8 H LYS 2 HN LYS 2 67.478 -12.571 5.704 9 HA LYS 2 HA LYS 2 67.197 -10.689 7.114 10 1HB LYS 2 HB2 LYS 2 70.214 -10.639 6.795 11 2HB LYS 2 HB1 LYS 2 69.282 -10.111 8.198 12 1HG LYS 2 HG2 LYS 2 68.380 -12.664 7.949 13 2HG LYS 2 HG1 LYS 2 70.030 -12.849 7.351 14 1HD LYS 2 HD2 LYS 2 70.862 -11.710 9.410 15 2HD LYS 2 HD1 LYS 2 69.206 -11.655 10.014 16 1HE LYS 2 HE2 LYS 2 69.350 -14.288 9.418 17 2HE LYS 2 HE1 LYS 2 71.056 -13.978 9.794 18 1HZ LYS 2 HZ2 LYS 2 69.447 -12.573 11.624 19 2HZ LYS 2 HZ1 LYS 2 68.926 -14.190 11.591 20 3HZ LYS 2 HZ3 LYS 2 70.546 -13.830 11.936 21 H GLN 3 HN GLN 3 66.536 -9.833 4.654 22 HA GLN 3 HA GLN 3 67.417 -7.051 4.622 23 1HB GLN 3 HB2 GLN 3 68.385 -7.261 2.292 24 2HB GLN 3 HB1 GLN 3 69.335 -8.068 3.539 25 1HG GLN 3 HG2 GLN 3 68.028 -10.189 2.964 26 2HG GLN 3 HG1 GLN 3 67.448 -9.326 1.538 27 1HE2 GLN 3 HE22 GLN 3 71.108 -8.954 0.560 28 2HE2 GLN 3 HE21 GLN 3 69.970 -7.828 1.124 29 H ASP 4 HN ASP 4 65.825 -5.812 3.630 30 HA ASP 4 HA ASP 4 64.123 -6.717 1.492 31 1HB ASP 4 HB2 ASP 4 62.574 -7.903 2.639 32 2HB ASP 4 HB1 ASP 4 63.585 -7.749 4.074 33 H TYR 5 HN TYR 5 63.144 -5.061 0.601 34 HA TYR 5 HA TYR 5 63.731 -2.438 0.926 35 1HB TYR 5 HB2 TYR 5 60.928 -2.474 0.426 36 2HB TYR 5 HB1 TYR 5 62.256 -2.279 -0.709 37 HD1 TYR 5 HD2 TYR 5 60.493 -4.979 1.184 38 HD2 TYR 5 HD1 TYR 5 62.592 -3.816 -2.371 39 HE1 TYR 5 HE2 TYR 5 60.069 -7.218 0.205 40 HE2 TYR 5 HE1 TYR 5 62.179 -6.057 -3.355 41 HH TYR 5 HH TYR 5 61.476 -8.154 -2.915 42 H TYR 6 HN TYR 6 60.779 -3.747 2.517 43 HA TYR 6 HA TYR 6 60.200 -1.539 4.140 44 1HB TYR 6 HB2 TYR 6 59.933 -4.512 4.410 45 2HB TYR 6 HB1 TYR 6 59.473 -3.476 5.765 46 HD1 TYR 6 HD1 TYR 6 57.699 -1.778 5.514 47 HD2 TYR 6 HD2 TYR 6 58.660 -4.511 2.344 48 HE1 TYR 6 HE1 TYR 6 55.567 -1.215 4.385 49 HE2 TYR 6 HE2 TYR 6 56.526 -3.948 1.214 50 HH TYR 6 HH TYR 6 54.058 -2.862 2.390 51 H GLU 7 HN GLU 7 62.730 -3.940 4.408 52 HA GLU 7 HA GLU 7 63.684 -2.861 7.005 53 1HB GLU 7 HB2 GLU 7 64.057 -5.224 5.279 54 2HB GLU 7 HB1 GLU 7 65.553 -4.646 6.014 55 1HG GLU 7 HG2 GLU 7 64.305 -4.596 8.231 56 2HG GLU 7 HG1 GLU 7 63.004 -5.470 7.422 57 H ILE 8 HN ILE 8 64.343 -2.737 3.553 58 HA ILE 8 HA ILE 8 66.941 -1.713 3.453 59 HB ILE 8 HB ILE 8 64.463 -1.155 1.839 60 1HG1 ILE 8 HG12 ILE 8 65.510 -3.488 1.920 61 2HG1 ILE 8 HG11 ILE 8 65.426 -2.776 0.309 62 1HG2 ILE 8 HG22 ILE 8 67.333 -0.319 1.368 63 2HG2 ILE 8 HG21 ILE 8 66.108 -0.344 0.099 64 3HG2 ILE 8 HG23 ILE 8 65.917 0.726 1.488 65 1HD1 ILE 8 HD13 ILE 8 67.875 -2.218 1.899 66 2HD1 ILE 8 HD12 ILE 8 67.682 -3.855 1.272 67 3HD1 ILE 8 HD11 ILE 8 67.692 -2.482 0.165 68 H LEU 9 HN LEU 9 63.861 -0.039 3.920 69 HA LEU 9 HA LEU 9 65.130 2.600 4.340 70 1HB LEU 9 HB2 LEU 9 62.276 1.723 4.832 71 2HB LEU 9 HB1 LEU 9 62.854 3.337 4.420 72 HG LEU 9 HG LEU 9 63.728 1.477 2.414 73 1HD1 LEU 9 HD13 LEU 9 61.367 0.585 3.542 74 2HD1 LEU 9 HD12 LEU 9 60.804 1.574 2.195 75 3HD1 LEU 9 HD11 LEU 9 61.907 0.231 1.902 76 1HD2 LEU 9 HD21 LEU 9 63.407 3.935 2.182 77 2HD2 LEU 9 HD23 LEU 9 62.518 3.032 0.953 78 3HD2 LEU 9 HD22 LEU 9 61.668 3.700 2.346 79 H GLY 10 HN GLY 10 65.105 -0.096 6.149 80 1HA GLY 10 HA2 GLY 10 65.569 -0.415 8.427 81 2HA GLY 10 HA1 GLY 10 65.462 1.332 8.645 82 H VAL 11 HN VAL 11 62.757 -0.249 7.091 83 HA VAL 11 HA VAL 11 61.227 0.182 9.641 84 HB VAL 11 HB VAL 11 59.504 -0.144 7.412 85 1HG1 VAL 11 HG11 VAL 11 60.342 2.246 9.049 86 2HG1 VAL 11 HG13 VAL 11 58.989 2.257 7.917 87 3HG1 VAL 11 HG12 VAL 11 58.954 1.191 9.322 88 1HG2 VAL 11 HG22 VAL 11 61.899 1.551 6.825 89 2HG2 VAL 11 HG21 VAL 11 61.022 0.445 5.765 90 3HG2 VAL 11 HG23 VAL 11 60.315 1.999 6.200 91 H SER 12 HN SER 12 59.166 -1.247 9.651 92 HA SER 12 HA SER 12 60.014 -4.053 9.370 93 1HB SER 12 HB2 SER 12 57.416 -3.963 10.331 94 2HB SER 12 HB1 SER 12 58.867 -3.980 11.328 95 HG SER 12 HG SER 12 57.072 -2.032 11.007 96 H LYS 13 HN LYS 13 58.811 -5.600 8.102 97 HA LYS 13 HA LYS 13 57.955 -4.781 5.553 98 1HB LYS 13 HB2 LYS 13 57.210 -7.008 5.323 99 2HB LYS 13 HB1 LYS 13 58.527 -7.086 6.492 100 1HG LYS 13 HG2 LYS 13 56.476 -6.655 8.190 101 2HG LYS 13 HG1 LYS 13 55.604 -7.488 6.905 102 1HD LYS 13 HD2 LYS 13 56.594 -9.479 7.361 103 2HD LYS 13 HD1 LYS 13 58.177 -8.737 7.602 104 1HE LYS 13 HE2 LYS 13 56.747 -7.798 9.780 105 2HE LYS 13 HE1 LYS 13 56.147 -9.458 9.597 106 1HZ LYS 13 HZ2 LYS 13 59.023 -8.733 9.494 107 2HZ LYS 13 HZ1 LYS 13 58.247 -9.267 10.908 108 3HZ LYS 13 HZ3 LYS 13 58.356 -10.294 9.562 109 H THR 14 HN THR 14 56.371 -4.603 8.589 110 HA THR 14 HA THR 14 53.740 -4.009 7.320 111 HB THR 14 HB THR 14 52.832 -4.632 9.408 112 HG1 THR 14 HG1 THR 14 54.089 -3.214 10.652 113 1HG2 THR 14 HG22 THR 14 54.480 -6.383 8.208 114 2HG2 THR 14 HG21 THR 14 55.307 -6.253 9.759 115 3HG2 THR 14 HG23 THR 14 53.623 -6.773 9.699 116 H ALA 15 HN ALA 15 56.433 -2.344 7.825 117 HA ALA 15 HA ALA 15 56.040 -0.208 9.572 118 1HB ALA 15 HB2 ALA 15 58.021 -0.795 8.258 119 2HB ALA 15 HB1 ALA 15 57.194 -0.277 6.788 120 3HB ALA 15 HB3 ALA 15 57.580 0.893 8.042 121 H GLU 16 HN GLU 16 56.250 1.795 7.289 122 HA GLU 16 HA GLU 16 53.628 2.069 6.091 123 1HB GLU 16 HB2 GLU 16 54.174 3.021 8.788 124 2HB GLU 16 HB1 GLU 16 53.745 4.363 7.722 125 1HG GLU 16 HG2 GLU 16 52.023 2.119 7.178 126 2HG GLU 16 HG1 GLU 16 51.993 2.479 8.906 127 H GLU 17 HN GLU 17 53.955 3.326 4.312 128 HA GLU 17 HA GLU 17 56.205 4.171 3.136 129 1HB GLU 17 HB2 GLU 17 53.772 4.495 2.457 130 2HB GLU 17 HB1 GLU 17 53.822 6.019 3.346 131 1HG GLU 17 HG2 GLU 17 56.118 6.151 1.824 132 2HG GLU 17 HG1 GLU 17 54.991 5.337 0.738 133 H ARG 18 HN ARG 18 54.472 6.599 5.125 134 HA ARG 18 HA ARG 18 56.193 8.684 5.219 135 1HB ARG 18 HB2 ARG 18 55.482 8.881 7.674 136 2HB ARG 18 HB1 ARG 18 54.185 8.697 6.493 137 1HG ARG 18 HG2 ARG 18 54.438 6.142 6.951 138 2HG ARG 18 HG1 ARG 18 55.286 6.651 8.412 139 1HD ARG 18 HD2 ARG 18 52.854 6.315 8.838 140 2HD ARG 18 HD1 ARG 18 53.316 8.014 9.070 141 HE ARG 18 HE ARG 18 52.559 7.469 6.321 142 1HH1 ARG 18 HH21 ARG 18 51.530 8.359 9.489 143 2HH1 ARG 18 HH22 ARG 18 49.992 8.956 8.963 144 1HH2 ARG 18 HH11 ARG 18 50.506 8.138 5.635 145 2HH2 ARG 18 HH12 ARG 18 49.413 8.830 6.785 146 H GLU 19 HN GLU 19 56.668 5.902 7.423 147 HA GLU 19 HA GLU 19 59.231 6.904 8.349 148 1HB GLU 19 HB2 GLU 19 59.179 4.644 9.504 149 2HB GLU 19 HB1 GLU 19 57.803 5.676 9.858 150 1HG GLU 19 HG2 GLU 19 56.372 4.430 8.435 151 2HG GLU 19 HG1 GLU 19 57.728 3.639 7.629 152 H ILE 20 HN ILE 20 58.054 5.052 5.739 153 HA ILE 20 HA ILE 20 60.579 3.612 5.221 154 HB ILE 20 HB ILE 20 57.808 3.429 4.575 155 1HG1 ILE 20 HG12 ILE 20 59.061 1.420 3.166 156 2HG1 ILE 20 HG11 ILE 20 60.261 1.836 4.385 157 1HG2 ILE 20 HG23 ILE 20 59.556 3.783 2.131 158 2HG2 ILE 20 HG22 ILE 20 57.954 3.061 2.110 159 3HG2 ILE 20 HG21 ILE 20 58.146 4.745 2.571 160 1HD1 ILE 20 HD12 ILE 20 58.201 1.792 6.019 161 2HD1 ILE 20 HD11 ILE 20 57.464 0.808 4.756 162 3HD1 ILE 20 HD13 ILE 20 58.955 0.275 5.532 163 H ARG 21 HN ARG 21 58.582 6.143 3.723 164 HA ARG 21 HA ARG 21 60.500 6.927 1.717 165 1HB ARG 21 HB2 ARG 21 59.033 8.958 1.639 166 2HB ARG 21 HB1 ARG 21 58.090 7.468 1.646 167 1HG ARG 21 HG2 ARG 21 56.964 8.586 3.312 168 2HG ARG 21 HG1 ARG 21 58.234 7.866 4.295 169 1HD ARG 21 HD2 ARG 21 59.023 9.914 4.848 170 2HD ARG 21 HD1 ARG 21 59.168 10.352 3.136 171 HE ARG 21 HE ARG 21 56.695 10.696 4.772 172 1HH1 ARG 21 HH11 ARG 21 56.168 10.198 1.857 173 2HH1 ARG 21 HH12 ARG 21 56.144 11.807 1.217 174 1HH2 ARG 21 HH21 ARG 21 57.707 13.214 3.975 175 2HH2 ARG 21 HH22 ARG 21 57.019 13.513 2.414 176 H LYS 22 HN LYS 22 59.920 7.710 5.063 177 HA LYS 22 HA LYS 22 61.530 10.033 5.362 178 1HB LYS 22 HB2 LYS 22 59.962 9.408 7.050 179 2HB LYS 22 HB1 LYS 22 60.621 7.774 7.160 180 1HG LYS 22 HG2 LYS 22 61.300 9.400 9.033 181 2HG LYS 22 HG1 LYS 22 62.610 8.532 8.235 182 1HD LYS 22 HD2 LYS 22 63.307 10.825 8.374 183 2HD LYS 22 HD1 LYS 22 62.854 10.551 6.692 184 1HE LYS 22 HE2 LYS 22 60.955 11.864 6.846 185 2HE LYS 22 HE1 LYS 22 60.717 11.497 8.567 186 1HZ LYS 22 HZ1 LYS 22 63.178 12.873 7.796 187 2HZ LYS 22 HZ3 LYS 22 61.747 13.784 7.780 188 3HZ LYS 22 HZ2 LYS 22 62.252 13.022 9.213 189 H ALA 23 HN ALA 23 62.365 6.622 6.151 190 HA ALA 23 HA ALA 23 65.042 6.954 6.886 191 1HB ALA 23 HB2 ALA 23 63.268 4.882 6.231 192 2HB ALA 23 HB1 ALA 23 64.642 4.651 5.151 193 3HB ALA 23 HB3 ALA 23 64.891 4.697 6.895 194 H TYR 24 HN TYR 24 63.758 6.471 3.597 195 HA TYR 24 HA TYR 24 66.288 6.731 2.235 196 1HB TYR 24 HB2 TYR 24 64.048 5.736 1.450 197 2HB TYR 24 HB1 TYR 24 63.511 7.398 1.216 198 HD1 TYR 24 HD1 TYR 24 66.924 5.985 0.661 199 HD2 TYR 24 HD2 TYR 24 63.379 7.615 -1.135 200 HE1 TYR 24 HE1 TYR 24 68.080 6.088 -1.529 201 HE2 TYR 24 HE2 TYR 24 64.535 7.716 -3.327 202 HH TYR 24 HH TYR 24 66.583 7.623 -4.328 203 H LYS 25 HN LYS 25 64.035 8.862 3.684 204 HA LYS 25 HA LYS 25 64.847 11.273 2.258 205 1HB LYS 25 HB2 LYS 25 62.800 10.249 3.979 206 2HB LYS 25 HB1 LYS 25 63.452 11.711 4.708 207 1HG LYS 25 HG2 LYS 25 62.047 12.810 3.295 208 2HG LYS 25 HG1 LYS 25 63.247 12.431 2.057 209 1HD LYS 25 HD2 LYS 25 62.081 10.387 1.472 210 2HD LYS 25 HD1 LYS 25 60.946 10.612 2.801 211 1HE LYS 25 HE2 LYS 25 59.620 11.733 1.330 212 2HE LYS 25 HE1 LYS 25 60.840 13.023 1.343 213 1HZ LYS 25 HZ1 LYS 25 62.101 11.673 -0.307 214 2HZ LYS 25 HZ3 LYS 25 60.757 10.647 -0.435 215 3HZ LYS 25 HZ2 LYS 25 60.627 12.278 -0.893 216 H ARG 26 HN ARG 26 65.362 9.788 5.455 217 HA ARG 26 HA ARG 26 67.107 11.992 6.315 218 1HB ARG 26 HB2 ARG 26 65.712 9.663 7.440 219 2HB ARG 26 HB1 ARG 26 67.288 9.974 8.173 220 1HG ARG 26 HG2 ARG 26 66.509 12.454 8.253 221 2HG ARG 26 HG1 ARG 26 64.890 11.791 8.028 222 1HD ARG 26 HD2 ARG 26 65.200 11.944 10.399 223 2HD ARG 26 HD1 ARG 26 65.444 10.230 10.009 224 HE ARG 26 HE ARG 26 67.941 11.590 9.739 225 1HH1 ARG 26 HH21 ARG 26 67.036 9.092 11.414 226 2HH1 ARG 26 HH22 ARG 26 67.587 9.584 12.979 227 1HH2 ARG 26 HH11 ARG 26 68.064 12.892 12.064 228 2HH2 ARG 26 HH12 ARG 26 68.169 11.734 13.347 229 H LEU 27 HN LEU 27 67.428 8.574 5.339 230 HA LEU 27 HA LEU 27 70.299 8.512 5.845 231 1HB LEU 27 HB2 LEU 27 70.056 6.252 5.392 232 2HB LEU 27 HB1 LEU 27 68.397 6.653 5.835 233 HG LEU 27 HG LEU 27 68.271 7.202 3.208 234 1HD1 LEU 27 HD11 LEU 27 70.700 6.562 2.952 235 2HD1 LEU 27 HD13 LEU 27 70.247 4.911 3.377 236 3HD1 LEU 27 HD12 LEU 27 69.602 5.653 1.913 237 1HD2 LEU 27 HD22 LEU 27 67.037 5.470 4.737 238 2HD2 LEU 27 HD21 LEU 27 67.063 5.199 2.994 239 3HD2 LEU 27 HD23 LEU 27 68.169 4.311 4.043 240 H ALA 28 HN ALA 28 68.207 9.031 3.019 241 HA ALA 28 HA ALA 28 70.504 8.890 1.205 242 1HB ALA 28 HB2 ALA 28 67.928 8.269 0.944 243 2HB ALA 28 HB1 ALA 28 67.827 9.950 0.418 244 3HB ALA 28 HB3 ALA 28 68.877 8.819 -0.436 245 H MET 29 HN MET 29 68.524 11.406 2.737 246 HA MET 29 HA MET 29 69.419 13.614 1.192 247 1HB MET 29 HB2 MET 29 68.862 14.916 3.207 248 2HB MET 29 HB1 MET 29 67.662 13.646 2.979 249 1HG MET 29 HG2 MET 29 68.109 12.965 5.081 250 2HG MET 29 HG1 MET 29 69.695 12.460 4.510 251 1HE MET 29 HE2 MET 29 67.678 15.455 4.875 252 2HE MET 29 HE1 MET 29 67.862 15.577 6.623 253 3HE MET 29 HE3 MET 29 68.696 16.719 5.561 254 H LYS 30 HN LYS 30 70.980 11.588 3.556 255 HA LYS 30 HA LYS 30 73.353 13.366 3.755 256 1HB LYS 30 HB2 LYS 30 72.335 10.836 5.026 257 2HB LYS 30 HB1 LYS 30 74.054 11.219 5.140 258 1HG LYS 30 HG2 LYS 30 73.703 12.965 6.563 259 2HG LYS 30 HG1 LYS 30 72.231 13.471 5.734 260 1HD LYS 30 HD2 LYS 30 71.163 12.629 7.556 261 2HD LYS 30 HD1 LYS 30 71.461 11.062 6.800 262 1HE LYS 30 HE2 LYS 30 73.487 12.357 8.645 263 2HE LYS 30 HE1 LYS 30 72.223 11.261 9.237 264 1HZ LYS 30 HZ3 LYS 30 73.064 9.895 7.142 265 2HZ LYS 30 HZ2 LYS 30 74.514 10.694 7.524 266 3HZ LYS 30 HZ1 LYS 30 73.753 9.706 8.679 267 H TYR 31 HN TYR 31 72.151 10.661 1.987 268 HA TYR 31 HA TYR 31 74.860 10.014 0.893 269 1HB TYR 31 HB2 TYR 31 72.415 8.561 1.612 270 2HB TYR 31 HB1 TYR 31 73.023 8.131 0.012 271 HD1 TYR 31 HD1 TYR 31 75.354 9.372 2.549 272 HD2 TYR 31 HD2 TYR 31 73.596 5.859 0.815 273 HE1 TYR 31 HE1 TYR 31 77.112 7.980 3.593 274 HE2 TYR 31 HE2 TYR 31 75.352 4.463 1.861 275 HH TYR 31 HH TYR 31 76.921 4.529 3.671 276 H HIS 32 HN HIS 32 72.751 12.160 0.201 277 HA HIS 32 HA HIS 32 71.633 11.748 -2.351 278 1HB HIS 32 HB2 HIS 32 71.453 14.172 -2.211 279 2HB HIS 32 HB1 HIS 32 71.288 13.505 -0.602 280 HD1 HIS 32 HD1 HIS 32 72.721 14.509 1.129 281 HD2 HIS 32 HD2 HIS 32 74.456 14.882 -2.641 282 HE1 HIS 32 HE1 HIS 32 74.860 15.825 1.448 283 HA PRO 33 HA PRO 33 74.833 12.319 -5.279 284 1HB PRO 33 HB2 PRO 33 75.189 14.896 -6.154 285 2HB PRO 33 HB1 PRO 33 73.842 13.858 -6.664 286 1HG PRO 33 HG2 PRO 33 73.897 16.019 -4.628 287 2HG PRO 33 HG1 PRO 33 72.630 15.589 -5.786 288 1HD PRO 33 HD2 PRO 33 72.561 14.958 -3.170 289 2HD PRO 33 HD1 PRO 33 71.749 13.991 -4.419 290 H ASP 34 HN ASP 34 75.773 12.200 -2.767 291 HA ASP 34 HA ASP 34 78.105 14.068 -2.594 292 1HB ASP 34 HB2 ASP 34 78.100 13.458 -0.246 293 2HB ASP 34 HB1 ASP 34 76.418 13.765 -0.679 294 H ARG 35 HN ARG 35 77.028 10.710 -2.521 295 HA ARG 35 HA ARG 35 79.682 9.817 -3.516 296 1HB ARG 35 HB2 ARG 35 79.592 7.997 -1.821 297 2HB ARG 35 HB1 ARG 35 79.616 9.587 -1.055 298 1HG ARG 35 HG2 ARG 35 77.869 8.487 0.078 299 2HG ARG 35 HG1 ARG 35 77.018 9.418 -1.156 300 1HD ARG 35 HD2 ARG 35 76.121 7.492 -1.905 301 2HD ARG 35 HD1 ARG 35 77.750 6.964 -2.369 302 HE ARG 35 HE ARG 35 76.315 6.046 -0.033 303 1HH1 ARG 35 HH21 ARG 35 78.353 7.107 1.587 304 2HH1 ARG 35 HH22 ARG 35 79.698 6.029 1.419 305 1HH2 ARG 35 HH11 ARG 35 78.504 4.564 -1.488 306 2HH2 ARG 35 HH12 ARG 35 79.783 4.587 -0.320 307 H ASN 36 HN ASN 36 76.179 9.326 -3.122 308 HA ASN 36 HA ASN 36 75.707 6.823 -4.188 309 1HB ASN 36 HB2 ASN 36 74.420 9.429 -4.057 310 2HB ASN 36 HB1 ASN 36 73.923 8.532 -5.488 311 1HD2 ASN 36 HD22 ASN 36 73.058 6.940 -1.793 312 2HD2 ASN 36 HD21 ASN 36 74.345 8.037 -1.940 313 H GLN 37 HN GLN 37 77.026 9.619 -5.829 314 HA GLN 37 HA GLN 37 76.683 8.437 -8.501 315 1HB GLN 37 HB2 GLN 37 78.368 10.844 -7.846 316 2HB GLN 37 HB1 GLN 37 77.351 10.559 -9.256 317 1HG GLN 37 HG2 GLN 37 75.470 10.487 -7.299 318 2HG GLN 37 HG1 GLN 37 76.620 11.614 -6.580 319 1HE2 GLN 37 HE22 GLN 37 76.130 14.115 -9.117 320 2HE2 GLN 37 HE21 GLN 37 77.276 13.511 -8.020 321 H GLY 38 HN GLY 38 78.642 7.503 -6.134 322 1HA GLY 38 HA2 GLY 38 80.865 6.905 -8.025 323 2HA GLY 38 HA1 GLY 38 81.260 7.619 -6.463 324 H ASP 39 HN ASP 39 78.710 5.237 -7.056 325 HA ASP 39 HA ASP 39 80.313 3.241 -5.483 326 1HB ASP 39 HB2 ASP 39 77.901 2.643 -4.618 327 2HB ASP 39 HB1 ASP 39 78.746 4.028 -3.926 328 H LYS 40 HN LYS 40 80.781 1.771 -7.090 329 HA LYS 40 HA LYS 40 78.791 1.050 -9.142 330 1HB LYS 40 HB2 LYS 40 81.604 1.082 -8.752 331 2HB LYS 40 HB1 LYS 40 81.131 -0.583 -9.094 332 1HG LYS 40 HG2 LYS 40 80.501 1.861 -10.774 333 2HG LYS 40 HG1 LYS 40 81.577 0.531 -11.207 334 1HD LYS 40 HD2 LYS 40 79.363 -0.896 -10.694 335 2HD LYS 40 HD1 LYS 40 78.598 0.621 -11.169 336 1HE LYS 40 HE2 LYS 40 78.839 -0.265 -13.284 337 2HE LYS 40 HE1 LYS 40 80.481 0.390 -13.131 338 1HZ LYS 40 HZ2 LYS 40 79.845 -2.243 -11.979 339 2HZ LYS 40 HZ1 LYS 40 80.163 -2.121 -13.644 340 3HZ LYS 40 HZ3 LYS 40 81.340 -1.641 -12.519 341 H GLU 41 HN GLU 41 77.880 0.366 -6.571 342 HA GLU 41 HA GLU 41 77.165 -2.373 -6.835 343 1HB GLU 41 HB2 GLU 41 78.680 -3.065 -4.772 344 2HB GLU 41 HB1 GLU 41 79.357 -3.083 -6.400 345 1HG GLU 41 HG2 GLU 41 80.521 -1.060 -6.071 346 2HG GLU 41 HG1 GLU 41 79.526 -0.607 -4.689 347 H ALA 42 HN ALA 42 77.942 0.281 -4.648 348 HA ALA 42 HA ALA 42 75.869 -0.503 -2.701 349 1HB ALA 42 HB3 ALA 42 78.225 0.775 -2.480 350 2HB ALA 42 HB2 ALA 42 77.198 2.180 -2.765 351 3HB ALA 42 HB1 ALA 42 76.886 1.124 -1.387 352 H GLU 43 HN GLU 43 76.212 1.300 -5.624 353 HA GLU 43 HA GLU 43 74.349 3.389 -5.474 354 1HB GLU 43 HB2 GLU 43 75.689 2.546 -7.463 355 2HB GLU 43 HB1 GLU 43 74.455 1.299 -7.660 356 1HG GLU 43 HG2 GLU 43 72.916 2.755 -8.473 357 2HG GLU 43 HG1 GLU 43 73.403 4.044 -7.371 358 H ALA 44 HN ALA 44 73.732 -0.076 -5.866 359 HA ALA 44 HA ALA 44 70.974 0.169 -6.350 360 1HB ALA 44 HB2 ALA 44 72.951 -1.886 -5.785 361 2HB ALA 44 HB1 ALA 44 71.391 -2.288 -5.067 362 3HB ALA 44 HB3 ALA 44 71.513 -1.985 -6.800 363 H LYS 45 HN LYS 45 72.456 -0.948 -3.265 364 HA LYS 45 HA LYS 45 70.195 -0.927 -1.664 365 1HB LYS 45 HB2 LYS 45 72.346 -1.564 -0.789 366 2HB LYS 45 HB1 LYS 45 73.004 0.054 -1.079 367 1HG LYS 45 HG2 LYS 45 71.567 1.023 0.596 368 2HG LYS 45 HG1 LYS 45 70.647 -0.474 0.753 369 1HD LYS 45 HD2 LYS 45 72.064 -0.681 2.577 370 2HD LYS 45 HD1 LYS 45 73.034 -1.485 1.341 371 1HE LYS 45 HE2 LYS 45 74.652 0.097 1.480 372 2HE LYS 45 HE1 LYS 45 73.463 1.408 1.338 373 1HZ LYS 45 HZ1 LYS 45 73.628 -0.189 3.810 374 2HZ LYS 45 HZ3 LYS 45 74.702 1.100 3.567 375 3HZ LYS 45 HZ2 LYS 45 73.027 1.385 3.592 376 H PHE 46 HN PHE 46 71.856 1.837 -3.040 377 HA PHE 46 HA PHE 46 70.629 3.854 -1.361 378 1HB PHE 46 HB2 PHE 46 71.780 4.027 -4.165 379 2HB PHE 46 HB1 PHE 46 71.556 5.371 -3.050 380 HD1 PHE 46 HD1 PHE 46 72.341 2.966 -0.822 381 HD2 PHE 46 HD2 PHE 46 74.197 5.053 -4.084 382 HE1 PHE 46 HE1 PHE 46 74.573 2.528 0.171 383 HE2 PHE 46 HE2 PHE 46 76.429 4.616 -3.089 384 HZ PHE 46 HZ PHE 46 76.617 3.354 -0.967 385 H LYS 47 HN LYS 47 69.929 2.699 -4.705 386 HA LYS 47 HA LYS 47 67.409 4.263 -4.657 387 1HB LYS 47 HB2 LYS 47 67.644 4.130 -6.924 388 2HB LYS 47 HB1 LYS 47 69.243 3.472 -6.595 389 1HG LYS 47 HG2 LYS 47 66.762 1.752 -6.794 390 2HG LYS 47 HG1 LYS 47 67.817 2.088 -8.166 391 1HD LYS 47 HD2 LYS 47 69.545 1.330 -6.090 392 2HD LYS 47 HD1 LYS 47 68.190 0.202 -5.998 393 1HE LYS 47 HE2 LYS 47 69.769 -0.750 -7.567 394 2HE LYS 47 HE1 LYS 47 68.434 -0.096 -8.536 395 1HZ LYS 47 HZ3 LYS 47 69.744 2.046 -8.556 396 2HZ LYS 47 HZ2 LYS 47 71.066 1.147 -7.983 397 3HZ LYS 47 HZ1 LYS 47 70.379 0.782 -9.492 398 H GLU 48 HN GLU 48 68.597 1.068 -4.116 399 HA GLU 48 HA GLU 48 66.372 -0.612 -4.430 400 1HB GLU 48 HB2 GLU 48 68.625 -0.332 -2.441 401 2HB GLU 48 HB1 GLU 48 67.437 -1.614 -2.236 402 1HG GLU 48 HG2 GLU 48 68.961 -1.153 -4.810 403 2HG GLU 48 HG1 GLU 48 69.496 -2.275 -3.557 404 H ILE 49 HN ILE 49 67.241 1.709 -1.975 405 HA ILE 49 HA ILE 49 65.120 1.288 -0.101 406 HB ILE 49 HB ILE 49 66.636 3.760 -0.973 407 1HG1 ILE 49 HG12 ILE 49 67.230 2.225 1.512 408 2HG1 ILE 49 HG11 ILE 49 67.741 1.529 -0.024 409 1HG2 ILE 49 HG23 ILE 49 64.929 3.174 1.442 410 2HG2 ILE 49 HG22 ILE 49 66.117 4.477 1.417 411 3HG2 ILE 49 HG21 ILE 49 64.761 4.498 0.289 412 1HD1 ILE 49 HD13 ILE 49 68.878 3.694 -0.567 413 2HD1 ILE 49 HD12 ILE 49 68.474 4.266 1.052 414 3HD1 ILE 49 HD11 ILE 49 69.556 2.888 0.847 415 H LYS 50 HN LYS 50 65.499 3.426 -2.886 416 HA LYS 50 HA LYS 50 62.852 4.580 -2.815 417 1HB LYS 50 HB2 LYS 50 64.941 5.427 -3.985 418 2HB LYS 50 HB1 LYS 50 64.711 4.149 -5.179 419 1HG LYS 50 HG2 LYS 50 62.399 5.945 -4.554 420 2HG LYS 50 HG1 LYS 50 63.696 6.568 -5.576 421 1HD LYS 50 HD2 LYS 50 62.879 5.423 -7.330 422 2HD LYS 50 HD1 LYS 50 63.077 3.912 -6.441 423 1HE LYS 50 HE2 LYS 50 60.836 3.742 -6.174 424 2HE LYS 50 HE1 LYS 50 60.778 5.350 -5.424 425 1HZ LYS 50 HZ1 LYS 50 61.274 5.259 -8.292 426 2HZ LYS 50 HZ3 LYS 50 59.705 4.850 -7.794 427 3HZ LYS 50 HZ2 LYS 50 60.357 6.365 -7.384 428 H GLU 51 HN GLU 51 64.291 1.743 -4.370 429 HA GLU 51 HA GLU 51 62.101 0.981 -6.034 430 1HB GLU 51 HB2 GLU 51 64.514 0.116 -5.906 431 2HB GLU 51 HB1 GLU 51 63.989 -0.846 -4.525 432 1HG GLU 51 HG2 GLU 51 63.764 -2.289 -6.406 433 2HG GLU 51 HG1 GLU 51 62.128 -1.738 -6.048 434 H ALA 52 HN ALA 52 62.883 0.279 -2.635 435 HA ALA 52 HA ALA 52 60.971 -1.568 -1.857 436 1HB ALA 52 HB3 ALA 52 62.710 -0.255 -0.516 437 2HB ALA 52 HB2 ALA 52 61.521 1.045 -0.422 438 3HB ALA 52 HB1 ALA 52 61.171 -0.524 0.302 439 H TYR 53 HN TYR 53 60.491 1.769 -2.834 440 HA TYR 53 HA TYR 53 57.818 2.160 -1.926 441 1HB TYR 53 HB2 TYR 53 59.322 3.222 -4.339 442 2HB TYR 53 HB1 TYR 53 57.862 3.942 -3.666 443 HD1 TYR 53 HD1 TYR 53 59.371 2.669 -0.867 444 HD2 TYR 53 HD2 TYR 53 59.989 5.767 -3.778 445 HE1 TYR 53 HE1 TYR 53 60.744 3.916 0.758 446 HE2 TYR 53 HE2 TYR 53 61.365 7.017 -2.140 447 HH TYR 53 HH TYR 53 62.210 5.632 0.997 448 H GLU 54 HN GLU 54 59.084 0.883 -5.002 449 HA GLU 54 HA GLU 54 56.614 0.512 -6.357 450 1HB GLU 54 HB2 GLU 54 58.872 -1.498 -6.422 451 2HB GLU 54 HB1 GLU 54 57.855 -0.952 -7.754 452 1HG GLU 54 HG2 GLU 54 59.063 1.374 -6.800 453 2HG GLU 54 HG1 GLU 54 60.345 0.162 -6.763 454 H VAL 55 HN VAL 55 57.989 -1.031 -3.592 455 HA VAL 55 HA VAL 55 56.171 -3.320 -3.803 456 HB VAL 55 HB VAL 55 58.762 -2.855 -2.846 457 1HG1 VAL 55 HG13 VAL 55 56.813 -3.342 -0.584 458 2HG1 VAL 55 HG12 VAL 55 58.494 -3.859 -0.496 459 3HG1 VAL 55 HG11 VAL 55 58.110 -2.150 -0.670 460 1HG2 VAL 55 HG21 VAL 55 56.961 -5.019 -3.382 461 2HG2 VAL 55 HG23 VAL 55 58.724 -5.027 -3.390 462 3HG2 VAL 55 HG22 VAL 55 57.848 -5.365 -1.898 463 H LEU 56 HN LEU 56 56.965 -0.874 -1.306 464 HA LEU 56 HA LEU 56 54.475 -1.477 0.137 465 1HB LEU 56 HB2 LEU 56 55.437 0.014 1.778 466 2HB LEU 56 HB1 LEU 56 56.724 -1.022 1.142 467 HG LEU 56 HG LEU 56 56.750 1.051 -0.644 468 1HD1 LEU 56 HD11 LEU 56 55.109 2.302 0.704 469 2HD1 LEU 56 HD13 LEU 56 56.173 2.189 2.107 470 3HD1 LEU 56 HD12 LEU 56 56.672 3.123 0.694 471 1HD2 LEU 56 HD22 LEU 56 58.280 0.414 1.860 472 2HD2 LEU 56 HD21 LEU 56 58.797 0.290 0.182 473 3HD2 LEU 56 HD23 LEU 56 58.681 1.870 0.949 474 H THR 57 HN THR 57 55.539 1.057 -2.117 475 HA THR 57 HA THR 57 53.291 2.797 -1.288 476 HB THR 57 HB THR 57 54.257 4.377 -2.828 477 HG1 THR 57 HG1 THR 57 56.092 3.562 -4.126 478 1HG2 THR 57 HG21 THR 57 56.228 2.747 -1.251 479 2HG2 THR 57 HG23 THR 57 56.772 4.134 -2.192 480 3HG2 THR 57 HG22 THR 57 55.591 4.351 -0.903 481 H ASP 58 HN ASP 58 52.652 0.162 -2.301 482 HA ASP 58 HA ASP 58 50.783 0.929 -4.449 483 1HB ASP 58 HB2 ASP 58 53.275 -0.434 -4.874 484 2HB ASP 58 HB1 ASP 58 51.964 -1.579 -5.165 485 H SER 59 HN SER 59 48.905 0.223 -3.765 486 HA SER 59 HA SER 59 48.328 -1.243 -1.567 487 1HB SER 59 HB2 SER 59 46.729 -0.082 -3.058 488 2HB SER 59 HB1 SER 59 46.895 -1.388 -4.228 489 HG SER 59 HG SER 59 45.149 -1.923 -3.026 490 H GLN 60 HN GLN 60 49.584 -2.558 -4.546 491 HA GLN 60 HA GLN 60 48.773 -5.303 -4.093 492 1HB GLN 60 HB2 GLN 60 50.222 -3.673 -6.007 493 2HB GLN 60 HB1 GLN 60 51.037 -5.216 -5.749 494 1HG GLN 60 HG2 GLN 60 48.844 -6.372 -6.118 495 2HG GLN 60 HG1 GLN 60 48.136 -4.809 -6.528 496 1HE2 GLN 60 HE22 GLN 60 50.432 -4.568 -9.452 497 2HE2 GLN 60 HE21 GLN 60 50.161 -3.642 -8.055 498 H LYS 61 HN LYS 61 52.132 -4.096 -4.233 499 HA LYS 61 HA LYS 61 53.027 -6.299 -2.532 500 1HB LYS 61 HB2 LYS 61 55.094 -4.368 -2.788 501 2HB LYS 61 HB1 LYS 61 54.956 -5.909 -3.608 502 1HG LYS 61 HG2 LYS 61 53.680 -3.342 -4.605 503 2HG LYS 61 HG1 LYS 61 55.226 -3.965 -5.164 504 1HD LYS 61 HD2 LYS 61 54.269 -5.833 -6.199 505 2HD LYS 61 HD1 LYS 61 52.788 -5.729 -5.252 506 1HE LYS 61 HE2 LYS 61 52.273 -4.929 -7.482 507 2HE LYS 61 HE1 LYS 61 52.337 -3.503 -6.428 508 1HZ LYS 61 HZ3 LYS 61 54.823 -4.467 -7.651 509 2HZ LYS 61 HZ2 LYS 61 53.742 -3.586 -8.621 510 3HZ LYS 61 HZ1 LYS 61 54.384 -2.891 -7.210 511 H ARG 62 HN ARG 62 51.819 -3.195 -1.816 512 HA ARG 62 HA ARG 62 53.408 -2.940 0.637 513 1HB ARG 62 HB2 ARG 62 52.286 -0.867 0.851 514 2HB ARG 62 HB1 ARG 62 52.356 -1.099 -0.896 515 1HG ARG 62 HG2 ARG 62 50.071 -2.007 -0.884 516 2HG ARG 62 HG1 ARG 62 50.000 -1.828 0.868 517 1HD ARG 62 HD2 ARG 62 50.788 0.703 -0.035 518 2HD ARG 62 HD1 ARG 62 49.538 0.186 -1.185 519 HE ARG 62 HE ARG 62 48.447 -0.562 1.212 520 1HH1 ARG 62 HH21 ARG 62 48.171 2.110 -0.568 521 2HH1 ARG 62 HH22 ARG 62 48.008 3.248 0.727 522 1HH2 ARG 62 HH11 ARG 62 48.988 1.002 3.179 523 2HH2 ARG 62 HH12 ARG 62 48.469 2.621 2.849 524 H ALA 63 HN ALA 63 50.281 -4.120 -0.369 525 HA ALA 63 HA ALA 63 49.385 -4.603 2.414 526 1HB ALA 63 HB2 ALA 63 48.062 -3.846 0.231 527 2HB ALA 63 HB1 ALA 63 47.981 -5.586 -0.049 528 3HB ALA 63 HB3 ALA 63 47.295 -4.897 1.423 529 H ALA 64 HN ALA 64 50.987 -6.208 -0.186 530 HA ALA 64 HA ALA 64 50.338 -8.931 0.773 531 1HB ALA 64 HB2 ALA 64 51.755 -7.626 -1.516 532 2HB ALA 64 HB1 ALA 64 52.175 -9.297 -1.134 533 3HB ALA 64 HB3 ALA 64 50.511 -8.877 -1.538 534 H TYR 65 HN TYR 65 53.114 -6.718 0.672 535 HA TYR 65 HA TYR 65 54.984 -8.601 1.823 536 1HB TYR 65 HB2 TYR 65 54.841 -5.635 1.297 537 2HB TYR 65 HB1 TYR 65 56.231 -6.336 2.140 538 HD1 TYR 65 HD1 TYR 65 54.095 -7.040 -0.874 539 HD2 TYR 65 HD2 TYR 65 58.034 -7.044 0.840 540 HE1 TYR 65 HE1 TYR 65 55.032 -7.802 -3.036 541 HE2 TYR 65 HE2 TYR 65 58.969 -7.808 -1.327 542 HH TYR 65 HH TYR 65 57.971 -7.520 -3.968 543 H ASP 66 HN ASP 66 52.669 -6.298 3.154 544 HA ASP 66 HA ASP 66 53.682 -5.874 5.739 545 1HB ASP 66 HB2 ASP 66 51.536 -5.119 6.144 546 2HB ASP 66 HB1 ASP 66 51.416 -5.275 4.394 547 H GLN 67 HN GLN 67 52.087 -8.731 4.389 548 HA GLN 67 HA GLN 67 52.694 -10.218 6.927 549 1HB GLN 67 HB2 GLN 67 50.801 -11.726 5.926 550 2HB GLN 67 HB1 GLN 67 50.347 -10.190 6.665 551 1HG GLN 67 HG2 GLN 67 50.251 -9.113 4.486 552 2HG GLN 67 HG1 GLN 67 50.850 -10.574 3.702 553 1HE2 GLN 67 HE22 GLN 67 47.724 -12.305 3.955 554 2HE2 GLN 67 HE21 GLN 67 49.401 -12.529 3.815 555 H TYR 68 HN TYR 68 54.118 -9.709 4.150 556 HA TYR 68 HA TYR 68 55.423 -10.973 2.636 557 1HB TYR 68 HB2 TYR 68 55.575 -12.079 5.364 558 2HB TYR 68 HB1 TYR 68 56.093 -13.204 4.102 559 HD1 TYR 68 HD1 TYR 68 56.599 -9.753 5.422 560 HD2 TYR 68 HD2 TYR 68 58.165 -12.923 2.981 561 HE1 TYR 68 HE1 TYR 68 58.738 -8.522 5.197 562 HE2 TYR 68 HE2 TYR 68 60.306 -11.691 2.758 563 HH TYR 68 HH TYR 68 61.559 -9.923 4.119 564 H GLY 69 HN GLY 69 52.436 -11.550 2.801 565 1HA GLY 69 HA2 GLY 69 51.216 -12.964 1.276 566 2HA GLY 69 HA1 GLY 69 52.561 -14.107 1.305 567 H HIS 70 HN HIS 70 49.520 -14.199 2.026 568 HA HIS 70 HA HIS 70 48.984 -14.669 4.692 569 1HB HIS 70 HB2 HIS 70 47.382 -16.362 3.836 570 2HB HIS 70 HB1 HIS 70 47.421 -14.940 2.789 571 HD1 HIS 70 HD1 HIS 70 48.846 -15.172 0.540 572 HD2 HIS 70 HD2 HIS 70 48.186 -18.741 2.593 573 HE1 HIS 70 HE1 HIS 70 49.389 -17.042 -1.080 574 H ALA 71 HN ALA 71 51.088 -16.544 2.612 575 HA ALA 71 HA ALA 71 51.280 -19.017 3.911 576 1HB ALA 71 HB1 ALA 71 52.976 -17.235 2.267 577 2HB ALA 71 HB3 ALA 71 53.865 -18.435 3.208 578 3HB ALA 71 HB2 ALA 71 52.627 -18.952 2.064 579 H ALA 72 HN ALA 72 52.571 -15.876 4.875 580 HA ALA 72 HA ALA 72 54.336 -16.808 6.950 581 1HB ALA 72 HB3 ALA 72 52.882 -14.238 6.303 582 2HB ALA 72 HB2 ALA 72 53.922 -14.369 7.722 583 3HB ALA 72 HB1 ALA 72 54.597 -14.599 6.108 584 H PHE 73 HN PHE 73 50.961 -16.925 6.692 585 HA PHE 73 HA PHE 73 50.557 -16.753 9.652 586 1HB PHE 73 HB2 PHE 73 49.089 -16.062 7.259 587 2HB PHE 73 HB1 PHE 73 48.127 -17.147 8.269 588 HD1 PHE 73 HD1 PHE 73 47.510 -16.519 10.566 589 HD2 PHE 73 HD2 PHE 73 49.737 -13.854 8.038 590 HE1 PHE 73 HE1 PHE 73 47.024 -14.645 12.115 591 HE2 PHE 73 HE2 PHE 73 49.251 -11.980 9.586 592 HZ PHE 73 HZ PHE 73 47.893 -12.375 11.624 593 H GLU 74 HN GLU 74 51.000 -19.027 7.157 594 HA GLU 74 HA GLU 74 50.098 -21.216 8.966 595 1HB GLU 74 HB2 GLU 74 49.362 -21.041 6.031 596 2HB GLU 74 HB1 GLU 74 48.753 -22.193 7.220 597 1HG GLU 74 HG2 GLU 74 47.944 -20.066 8.502 598 2HG GLU 74 HG1 GLU 74 48.124 -19.265 6.939 599 H GLN 75 HN GLN 75 51.613 -20.421 5.824 600 HA GLN 75 HA GLN 75 53.318 -22.848 6.016 601 1HB GLN 75 HB2 GLN 75 53.133 -20.713 3.867 602 2HB GLN 75 HB1 GLN 75 53.812 -22.333 3.698 603 1HG GLN 75 HG2 GLN 75 51.199 -22.696 4.702 604 2HG GLN 75 HG1 GLN 75 51.064 -21.488 3.423 605 1HE2 GLN 75 HE22 GLN 75 50.850 -24.516 1.455 606 2HE2 GLN 75 HE21 GLN 75 49.885 -23.433 2.335 607 H GLY 76 HN GLY 76 55.639 -22.042 4.840 608 1HA GLY 76 HA2 GLY 76 56.873 -19.646 5.435 609 2HA GLY 76 HA1 GLY 76 56.934 -20.524 6.965 610 H GLY 77 HN GLY 77 57.331 -21.533 3.555 611 1HA GLY 77 HA2 GLY 77 59.550 -22.115 2.657 612 2HA GLY 77 HA1 GLY 77 60.038 -22.556 4.294 No H/Q in entry = 612 Start of MODEL 16 1 1H ALA 1 HT2 ALA 1 71.589 -11.990 5.078 2 2H ALA 1 HT1 ALA 1 73.108 -11.947 5.838 3 3H ALA 1 HT3 ALA 1 71.872 -12.922 6.470 4 HA ALA 1 HA ALA 1 71.703 -11.145 7.890 5 1HB ALA 1 HB2 ALA 1 72.603 -9.588 5.448 6 2HB ALA 1 HB1 ALA 1 72.215 -8.831 6.992 7 3HB ALA 1 HB3 ALA 1 73.561 -9.966 6.881 8 H LYS 2 HN LYS 2 69.944 -9.526 8.201 9 HA LYS 2 HA LYS 2 67.536 -10.258 6.739 10 1HB LYS 2 HB2 LYS 2 68.364 -8.849 9.140 11 2HB LYS 2 HB1 LYS 2 67.091 -7.961 8.303 12 1HG LYS 2 HG2 LYS 2 65.525 -9.562 8.718 13 2HG LYS 2 HG1 LYS 2 66.667 -10.882 8.466 14 1HD LYS 2 HD2 LYS 2 67.710 -9.960 10.727 15 2HD LYS 2 HD1 LYS 2 66.075 -9.341 10.961 16 1HE LYS 2 HE2 LYS 2 66.597 -12.228 10.202 17 2HE LYS 2 HE1 LYS 2 66.500 -11.690 11.891 18 1HZ LYS 2 HZ2 LYS 2 64.384 -10.487 11.080 19 2HZ LYS 2 HZ1 LYS 2 64.424 -11.603 9.800 20 3HZ LYS 2 HZ3 LYS 2 64.303 -12.154 11.400 21 H GLN 3 HN GLN 3 67.140 -9.431 4.722 22 HA GLN 3 HA GLN 3 67.754 -6.532 4.247 23 1HB GLN 3 HB2 GLN 3 69.157 -8.547 3.171 24 2HB GLN 3 HB1 GLN 3 67.822 -8.526 2.019 25 1HG GLN 3 HG2 GLN 3 68.243 -5.942 1.970 26 2HG GLN 3 HG1 GLN 3 69.823 -6.365 2.630 27 1HE2 GLN 3 HE22 GLN 3 70.542 -8.424 -0.385 28 2HE2 GLN 3 HE21 GLN 3 70.484 -8.697 1.289 29 H ASP 4 HN ASP 4 65.602 -5.792 4.470 30 HA ASP 4 HA ASP 4 63.704 -6.740 2.378 31 1HB ASP 4 HB2 ASP 4 62.473 -7.825 3.927 32 2HB ASP 4 HB1 ASP 4 63.644 -7.379 5.163 33 H TYR 5 HN TYR 5 62.685 -5.182 1.426 34 HA TYR 5 HA TYR 5 63.301 -2.513 1.510 35 1HB TYR 5 HB2 TYR 5 60.493 -2.667 1.022 36 2HB TYR 5 HB1 TYR 5 61.814 -2.469 -0.117 37 HD1 TYR 5 HD2 TYR 5 62.809 -4.313 -1.280 38 HD2 TYR 5 HD1 TYR 5 59.572 -4.887 1.472 39 HE1 TYR 5 HE2 TYR 5 62.470 -6.606 -2.171 40 HE2 TYR 5 HE1 TYR 5 59.228 -7.182 0.585 41 HH TYR 5 HH TYR 5 61.296 -8.893 -0.940 42 H TYR 6 HN TYR 6 60.401 -3.771 3.255 43 HA TYR 6 HA TYR 6 59.820 -1.405 4.655 44 1HB TYR 6 HB2 TYR 6 59.593 -4.329 5.338 45 2HB TYR 6 HB1 TYR 6 59.013 -3.077 6.444 46 HD1 TYR 6 HD1 TYR 6 57.284 -1.471 5.740 47 HD2 TYR 6 HD2 TYR 6 58.442 -4.769 3.247 48 HE1 TYR 6 HE1 TYR 6 55.237 -1.154 4.377 49 HE2 TYR 6 HE2 TYR 6 56.392 -4.448 1.881 50 HH TYR 6 HH TYR 6 54.739 -2.930 1.409 51 H GLU 7 HN GLU 7 62.445 -3.658 4.984 52 HA GLU 7 HA GLU 7 63.436 -2.436 7.507 53 1HB GLU 7 HB2 GLU 7 63.607 -4.927 6.238 54 2HB GLU 7 HB1 GLU 7 65.206 -4.226 6.003 55 1HG GLU 7 HG2 GLU 7 64.492 -3.640 8.670 56 2HG GLU 7 HG1 GLU 7 64.050 -5.328 8.410 57 H ILE 8 HN ILE 8 64.003 -2.491 4.026 58 HA ILE 8 HA ILE 8 66.493 -1.247 3.789 59 HB ILE 8 HB ILE 8 63.960 -1.031 2.168 60 1HG1 ILE 8 HG12 ILE 8 65.117 -3.288 2.487 61 2HG1 ILE 8 HG11 ILE 8 64.984 -2.761 0.809 62 1HG2 ILE 8 HG22 ILE 8 66.689 0.122 1.769 63 2HG2 ILE 8 HG21 ILE 8 65.823 -0.493 0.360 64 3HG2 ILE 8 HG23 ILE 8 65.114 0.790 1.341 65 1HD1 ILE 8 HD13 ILE 8 67.413 -1.749 2.038 66 2HD1 ILE 8 HD12 ILE 8 67.327 -3.507 2.136 67 3HD1 ILE 8 HD11 ILE 8 67.217 -2.705 0.570 68 H LEU 9 HN LEU 9 63.283 0.199 4.087 69 HA LEU 9 HA LEU 9 64.340 2.961 4.312 70 1HB LEU 9 HB2 LEU 9 61.551 1.802 4.596 71 2HB LEU 9 HB1 LEU 9 61.962 3.482 4.240 72 HG LEU 9 HG LEU 9 62.785 1.159 2.499 73 1HD1 LEU 9 HD12 LEU 9 60.237 1.532 2.806 74 2HD1 LEU 9 HD11 LEU 9 60.498 3.017 1.892 75 3HD1 LEU 9 HD13 LEU 9 60.872 1.457 1.161 76 1HD2 LEU 9 HD23 LEU 9 62.811 4.166 2.280 77 2HD2 LEU 9 HD22 LEU 9 64.127 3.029 1.986 78 3HD2 LEU 9 HD21 LEU 9 62.804 3.166 0.828 79 H GLY 10 HN GLY 10 64.597 0.543 6.357 80 1HA GLY 10 HA2 GLY 10 64.580 0.265 8.682 81 2HA GLY 10 HA1 GLY 10 64.820 2.010 8.735 82 H VAL 11 HN VAL 11 61.991 0.196 7.517 83 HA VAL 11 HA VAL 11 60.379 1.613 9.633 84 HB VAL 11 HB VAL 11 58.881 0.710 7.312 85 1HG1 VAL 11 HG13 VAL 11 59.359 3.304 8.752 86 2HG1 VAL 11 HG12 VAL 11 58.338 3.207 7.318 87 3HG1 VAL 11 HG11 VAL 11 57.918 2.289 8.764 88 1HG2 VAL 11 HG23 VAL 11 61.179 1.226 6.290 89 2HG2 VAL 11 HG22 VAL 11 59.785 2.049 5.611 90 3HG2 VAL 11 HG21 VAL 11 60.854 2.904 6.722 91 H SER 12 HN SER 12 58.055 0.453 9.535 92 HA SER 12 HA SER 12 58.511 -2.313 10.415 93 1HB SER 12 HB2 SER 12 55.785 -1.228 10.317 94 2HB SER 12 HB1 SER 12 56.665 -1.901 11.686 95 HG SER 12 HG SER 12 56.144 0.469 11.640 96 H LYS 13 HN LYS 13 57.697 -4.127 9.314 97 HA LYS 13 HA LYS 13 57.472 -4.135 6.550 98 1HB LYS 13 HB2 LYS 13 56.104 -6.224 6.943 99 2HB LYS 13 HB1 LYS 13 57.649 -6.155 7.791 100 1HG LYS 13 HG2 LYS 13 55.757 -4.894 9.481 101 2HG LYS 13 HG1 LYS 13 54.998 -6.380 8.908 102 1HD LYS 13 HD2 LYS 13 56.898 -7.702 9.650 103 2HD LYS 13 HD1 LYS 13 57.785 -6.243 10.090 104 1HE LYS 13 HE2 LYS 13 55.107 -6.462 11.335 105 2HE LYS 13 HE1 LYS 13 56.285 -7.678 11.869 106 1HZ LYS 13 HZ1 LYS 13 57.898 -5.710 11.952 107 2HZ LYS 13 HZ3 LYS 13 56.512 -4.733 11.952 108 3HZ LYS 13 HZ2 LYS 13 56.759 -5.851 13.207 109 H THR 14 HN THR 14 55.182 -2.997 8.875 110 HA THR 14 HA THR 14 53.107 -2.688 6.750 111 HB THR 14 HB THR 14 51.537 -2.883 8.503 112 HG1 THR 14 HG1 THR 14 52.709 -2.819 10.753 113 1HG2 THR 14 HG22 THR 14 53.234 -4.887 8.143 114 2HG2 THR 14 HG21 THR 14 53.719 -4.489 9.791 115 3HG2 THR 14 HG23 THR 14 52.050 -4.948 9.448 116 H ALA 15 HN ALA 15 55.579 -0.954 7.527 117 HA ALA 15 HA ALA 15 54.999 1.455 8.765 118 1HB ALA 15 HB1 ALA 15 56.578 0.770 6.285 119 2HB ALA 15 HB3 ALA 15 56.739 2.283 7.167 120 3HB ALA 15 HB2 ALA 15 57.156 0.766 7.950 121 H GLU 16 HN GLU 16 55.508 3.224 6.461 122 HA GLU 16 HA GLU 16 53.069 3.202 4.835 123 1HB GLU 16 HB2 GLU 16 53.330 4.612 7.336 124 2HB GLU 16 HB1 GLU 16 53.184 5.783 6.020 125 1HG GLU 16 HG2 GLU 16 51.292 3.982 5.273 126 2HG GLU 16 HG1 GLU 16 51.209 3.814 7.026 127 H GLU 17 HN GLU 17 53.295 5.980 4.159 128 HA GLU 17 HA GLU 17 55.656 5.841 2.395 129 1HB GLU 17 HB2 GLU 17 54.531 7.674 1.233 130 2HB GLU 17 HB1 GLU 17 53.379 6.387 1.581 131 1HG GLU 17 HG2 GLU 17 52.646 7.634 3.611 132 2HG GLU 17 HG1 GLU 17 53.742 8.943 3.170 133 H ARG 18 HN ARG 18 54.365 8.206 4.783 134 HA ARG 18 HA ARG 18 56.397 10.157 4.500 135 1HB ARG 18 HB2 ARG 18 55.662 10.708 6.895 136 2HB ARG 18 HB1 ARG 18 54.381 10.630 5.685 137 1HG ARG 18 HG2 ARG 18 53.425 8.809 6.645 138 2HG ARG 18 HG1 ARG 18 54.985 8.041 6.947 139 1HD ARG 18 HD2 ARG 18 55.292 9.186 8.993 140 2HD ARG 18 HD1 ARG 18 54.087 10.422 8.581 141 HE ARG 18 HE ARG 18 53.336 7.559 9.049 142 1HH1 ARG 18 HH21 ARG 18 51.066 8.937 8.050 143 2HH1 ARG 18 HH22 ARG 18 50.341 9.682 9.436 144 1HH2 ARG 18 HH11 ARG 18 53.180 9.394 11.405 145 2HH2 ARG 18 HH12 ARG 18 51.538 9.941 11.335 146 H GLU 19 HN GLU 19 56.638 7.052 5.959 147 HA GLU 19 HA GLU 19 59.116 7.797 7.430 148 1HB GLU 19 HB2 GLU 19 58.619 5.038 7.719 149 2HB GLU 19 HB1 GLU 19 58.264 6.286 8.906 150 1HG GLU 19 HG2 GLU 19 56.037 6.606 7.661 151 2HG GLU 19 HG1 GLU 19 56.408 5.088 6.844 152 H ILE 20 HN ILE 20 57.874 6.391 4.590 153 HA ILE 20 HA ILE 20 60.230 4.821 3.840 154 HB ILE 20 HB ILE 20 57.558 5.655 2.761 155 1HG1 ILE 20 HG12 ILE 20 57.097 3.391 2.789 156 2HG1 ILE 20 HG11 ILE 20 58.779 2.925 2.594 157 1HG2 ILE 20 HG23 ILE 20 59.819 4.537 1.087 158 2HG2 ILE 20 HG22 ILE 20 58.127 4.537 0.589 159 3HG2 ILE 20 HG21 ILE 20 58.969 6.062 0.849 160 1HD1 ILE 20 HD11 ILE 20 57.606 4.182 5.096 161 2HD1 ILE 20 HD13 ILE 20 57.945 2.462 4.893 162 3HD1 ILE 20 HD12 ILE 20 59.266 3.632 4.890 163 H ARG 21 HN ARG 21 58.570 7.663 2.455 164 HA ARG 21 HA ARG 21 60.679 8.548 0.782 165 1HB ARG 21 HB2 ARG 21 59.479 10.748 1.015 166 2HB ARG 21 HB1 ARG 21 58.356 9.413 0.760 167 1HG ARG 21 HG2 ARG 21 57.337 10.428 2.563 168 2HG ARG 21 HG1 ARG 21 58.415 9.328 3.421 169 1HD ARG 21 HD2 ARG 21 59.294 11.149 4.453 170 2HD ARG 21 HD1 ARG 21 59.959 11.636 2.881 171 HE ARG 21 HE ARG 21 57.280 12.386 2.767 172 1HH1 ARG 21 HH21 ARG 21 59.960 12.966 4.867 173 2HH1 ARG 21 HH22 ARG 21 59.434 14.555 5.310 174 1HH2 ARG 21 HH11 ARG 21 56.597 14.460 3.320 175 2HH2 ARG 21 HH12 ARG 21 57.529 15.400 4.436 176 H LYS 22 HN LYS 22 60.045 8.856 4.189 177 HA LYS 22 HA LYS 22 62.129 10.773 4.821 178 1HB LYS 22 HB2 LYS 22 60.226 10.605 6.253 179 2HB LYS 22 HB1 LYS 22 60.324 8.844 6.300 180 1HG LYS 22 HG2 LYS 22 61.169 10.075 8.387 181 2HG LYS 22 HG1 LYS 22 62.262 8.882 7.687 182 1HD LYS 22 HD2 LYS 22 63.558 10.867 8.165 183 2HD LYS 22 HD1 LYS 22 63.374 10.761 6.417 184 1HE LYS 22 HE2 LYS 22 62.617 12.907 6.547 185 2HE LYS 22 HE1 LYS 22 61.122 12.197 7.188 186 1HZ LYS 22 HZ3 LYS 22 63.494 12.835 8.855 187 2HZ LYS 22 HZ2 LYS 22 62.160 13.873 8.684 188 3HZ LYS 22 HZ1 LYS 22 61.964 12.344 9.396 189 H ALA 23 HN ALA 23 61.760 7.264 5.359 190 HA ALA 23 HA ALA 23 64.137 6.603 6.604 191 1HB ALA 23 HB2 ALA 23 62.627 5.222 4.369 192 2HB ALA 23 HB1 ALA 23 63.863 4.436 5.352 193 3HB ALA 23 HB3 ALA 23 62.379 5.015 6.104 194 H TYR 24 HN TYR 24 63.635 6.960 3.101 195 HA TYR 24 HA TYR 24 66.419 6.478 2.438 196 1HB TYR 24 HB2 TYR 24 64.338 6.109 1.026 197 2HB TYR 24 HB1 TYR 24 64.229 7.855 0.847 198 HD1 TYR 24 HD1 TYR 24 67.369 5.851 0.996 199 HD2 TYR 24 HD2 TYR 24 64.684 8.124 -1.472 200 HE1 TYR 24 HE1 TYR 24 69.024 5.803 -0.847 201 HE2 TYR 24 HE2 TYR 24 66.341 8.073 -3.316 202 HH TYR 24 HH TYR 24 68.382 6.318 -3.907 203 H LYS 25 HN LYS 25 64.304 9.302 2.691 204 HA LYS 25 HA LYS 25 65.998 11.400 1.982 205 1HB LYS 25 HB2 LYS 25 63.611 10.857 3.461 206 2HB LYS 25 HB1 LYS 25 64.557 12.029 4.364 207 1HG LYS 25 HG2 LYS 25 63.973 13.658 2.920 208 2HG LYS 25 HG1 LYS 25 64.641 12.724 1.579 209 1HD LYS 25 HD2 LYS 25 62.589 11.616 1.175 210 2HD LYS 25 HD1 LYS 25 61.930 12.088 2.742 211 1HE LYS 25 HE2 LYS 25 61.383 14.217 2.021 212 2HE LYS 25 HE1 LYS 25 62.727 14.280 0.862 213 1HZ LYS 25 HZ3 LYS 25 60.564 12.305 0.530 214 2HZ LYS 25 HZ2 LYS 25 60.353 13.893 -0.032 215 3HZ LYS 25 HZ1 LYS 25 61.619 12.936 -0.638 216 H ARG 26 HN ARG 26 65.875 9.569 5.023 217 HA ARG 26 HA ARG 26 67.758 11.240 6.447 218 1HB ARG 26 HB2 ARG 26 66.678 8.435 6.814 219 2HB ARG 26 HB1 ARG 26 67.695 9.243 8.007 220 1HG ARG 26 HG2 ARG 26 65.524 10.969 7.131 221 2HG ARG 26 HG1 ARG 26 64.912 9.450 7.788 222 1HD ARG 26 HD2 ARG 26 67.075 10.951 9.258 223 2HD ARG 26 HD1 ARG 26 65.372 11.409 9.456 224 HE ARG 26 HE ARG 26 66.163 8.550 9.785 225 1HH1 ARG 26 HH11 ARG 26 63.497 10.214 10.307 226 2HH1 ARG 26 HH12 ARG 26 63.447 10.095 12.034 227 1HH2 ARG 26 HH21 ARG 26 66.706 8.941 12.312 228 2HH2 ARG 26 HH22 ARG 26 65.263 9.370 13.170 229 H LEU 27 HN LEU 27 68.061 7.984 4.973 230 HA LEU 27 HA LEU 27 70.942 7.882 5.433 231 1HB LEU 27 HB2 LEU 27 70.719 5.699 4.518 232 2HB LEU 27 HB1 LEU 27 69.191 5.990 5.347 233 HG LEU 27 HG LEU 27 68.380 6.881 3.043 234 1HD1 LEU 27 HD13 LEU 27 71.057 5.982 2.435 235 2HD1 LEU 27 HD12 LEU 27 69.885 5.035 1.518 236 3HD1 LEU 27 HD11 LEU 27 69.900 6.793 1.380 237 1HD2 LEU 27 HD23 LEU 27 67.826 4.676 4.299 238 2HD2 LEU 27 HD22 LEU 27 67.479 4.753 2.571 239 3HD2 LEU 27 HD21 LEU 27 68.923 3.919 3.144 240 H ALA 28 HN ALA 28 68.775 8.604 2.768 241 HA ALA 28 HA ALA 28 70.739 8.610 0.684 242 1HB ALA 28 HB3 ALA 28 68.192 8.458 0.599 243 2HB ALA 28 HB2 ALA 28 68.171 10.198 0.883 244 3HB ALA 28 HB1 ALA 28 68.923 9.550 -0.576 245 H MET 29 HN MET 29 69.415 11.166 2.798 246 HA MET 29 HA MET 29 71.024 13.260 1.572 247 1HB MET 29 HB2 MET 29 70.218 14.578 3.452 248 2HB MET 29 HB1 MET 29 68.893 13.542 2.925 249 1HG MET 29 HG2 MET 29 69.606 11.882 4.688 250 2HG MET 29 HG1 MET 29 70.736 13.096 5.286 251 1HE MET 29 HE1 MET 29 70.460 14.480 6.794 252 2HE MET 29 HE3 MET 29 69.581 15.818 6.040 253 3HE MET 29 HE2 MET 29 69.016 15.136 7.563 254 H LYS 30 HN LYS 30 71.501 10.757 3.908 255 HA LYS 30 HA LYS 30 73.977 11.920 5.025 256 1HB LYS 30 HB2 LYS 30 72.053 9.777 5.574 257 2HB LYS 30 HB1 LYS 30 73.723 9.260 5.811 258 1HG LYS 30 HG2 LYS 30 74.040 10.654 7.593 259 2HG LYS 30 HG1 LYS 30 73.047 11.933 6.897 260 1HD LYS 30 HD2 LYS 30 71.256 11.272 8.087 261 2HD LYS 30 HD1 LYS 30 71.418 9.619 7.493 262 1HE LYS 30 HE2 LYS 30 73.443 10.413 9.510 263 2HE LYS 30 HE1 LYS 30 71.778 10.302 10.112 264 1HZ LYS 30 HZ3 LYS 30 71.856 8.164 8.551 265 2HZ LYS 30 HZ2 LYS 30 73.492 8.219 9.007 266 3HZ LYS 30 HZ1 LYS 30 72.279 8.110 10.191 267 H TYR 31 HN TYR 31 72.977 9.804 2.447 268 HA TYR 31 HA TYR 31 75.810 8.910 2.065 269 1HB TYR 31 HB2 TYR 31 73.112 7.718 1.625 270 2HB TYR 31 HB1 TYR 31 74.391 7.268 0.492 271 HD1 TYR 31 HD2 TYR 31 76.791 7.315 2.178 272 HD2 TYR 31 HD1 TYR 31 72.845 5.870 3.060 273 HE1 TYR 31 HE2 TYR 31 77.736 5.779 3.874 274 HE2 TYR 31 HE1 TYR 31 73.788 4.334 4.758 275 HH TYR 31 HH TYR 31 76.212 3.197 5.065 276 H HIS 32 HN HIS 32 73.873 11.239 1.079 277 HA HIS 32 HA HIS 32 73.792 11.258 -1.744 278 1HB HIS 32 HB2 HIS 32 73.378 13.626 -1.274 279 2HB HIS 32 HB1 HIS 32 72.638 12.641 -0.031 280 HD1 HIS 32 HD1 HIS 32 73.816 15.638 0.330 281 HD2 HIS 32 HD2 HIS 32 75.537 12.080 1.651 282 HE1 HIS 32 HE1 HIS 32 75.364 16.261 2.235 283 HA PRO 33 HA PRO 33 77.779 12.504 -3.100 284 1HB PRO 33 HB2 PRO 33 78.297 15.199 -3.116 285 2HB PRO 33 HB1 PRO 33 77.287 14.379 -4.324 286 1HG PRO 33 HG2 PRO 33 76.478 15.953 -1.939 287 2HG PRO 33 HG1 PRO 33 75.750 15.888 -3.549 288 1HD PRO 33 HD2 PRO 33 74.753 14.633 -1.403 289 2HD PRO 33 HD1 PRO 33 74.521 14.038 -3.059 290 H ASP 34 HN ASP 34 77.773 11.715 -0.531 291 HA ASP 34 HA ASP 34 79.828 13.381 0.870 292 1HB ASP 34 HB2 ASP 34 78.477 13.002 2.670 293 2HB ASP 34 HB1 ASP 34 77.388 12.071 1.650 294 H ARG 35 HN ARG 35 78.884 10.155 -0.206 295 HA ARG 35 HA ARG 35 81.752 9.338 -0.255 296 1HB ARG 35 HB2 ARG 35 80.995 7.148 0.693 297 2HB ARG 35 HB1 ARG 35 80.710 8.491 1.802 298 1HG ARG 35 HG2 ARG 35 78.666 7.307 1.833 299 2HG ARG 35 HG1 ARG 35 78.364 8.626 0.702 300 1HD ARG 35 HD2 ARG 35 77.909 7.135 -0.924 301 2HD ARG 35 HD1 ARG 35 79.529 6.432 -0.741 302 HE ARG 35 HE ARG 35 77.115 5.575 0.803 303 1HH1 ARG 35 HH21 ARG 35 78.473 4.429 2.641 304 2HH1 ARG 35 HH22 ARG 35 79.457 3.156 2.001 305 1HH2 ARG 35 HH11 ARG 35 79.196 4.242 -1.280 306 2HH2 ARG 35 HH12 ARG 35 79.861 3.047 -0.219 307 H ASN 36 HN ASN 36 78.437 9.019 -1.490 308 HA ASN 36 HA ASN 36 78.650 6.890 -3.286 309 1HB ASN 36 HB2 ASN 36 77.078 9.282 -2.872 310 2HB ASN 36 HB1 ASN 36 77.291 8.989 -4.595 311 1HD2 ASN 36 HD22 ASN 36 74.772 6.638 -2.516 312 2HD2 ASN 36 HD21 ASN 36 75.475 8.033 -1.853 313 H GLN 37 HN GLN 37 80.110 10.073 -3.462 314 HA GLN 37 HA GLN 37 80.803 9.941 -6.269 315 1HB GLN 37 HB2 GLN 37 82.143 11.524 -4.059 316 2HB GLN 37 HB1 GLN 37 82.018 11.955 -5.763 317 1HG GLN 37 HG2 GLN 37 79.379 11.483 -4.738 318 2HG GLN 37 HG1 GLN 37 80.212 12.614 -3.671 319 1HE2 GLN 37 HE22 GLN 37 79.175 13.781 -7.437 320 2HE2 GLN 37 HE21 GLN 37 78.934 12.179 -6.932 321 H GLY 38 HN GLY 38 81.851 8.133 -3.653 322 1HA GLY 38 HA2 GLY 38 84.535 7.714 -4.922 323 2HA GLY 38 HA1 GLY 38 84.271 7.573 -3.183 324 H ASP 39 HN ASP 39 81.547 6.393 -4.677 325 HA ASP 39 HA ASP 39 82.501 3.718 -5.370 326 1HB ASP 39 HB2 ASP 39 81.488 4.456 -2.652 327 2HB ASP 39 HB1 ASP 39 81.035 2.879 -3.300 328 H LYS 40 HN LYS 40 81.047 3.107 -6.926 329 HA LYS 40 HA LYS 40 78.360 4.302 -6.971 330 1HB LYS 40 HB2 LYS 40 79.909 4.050 -8.978 331 2HB LYS 40 HB1 LYS 40 79.638 2.311 -8.868 332 1HG LYS 40 HG2 LYS 40 77.276 2.574 -9.263 333 2HG LYS 40 HG1 LYS 40 77.394 4.328 -9.124 334 1HD LYS 40 HD2 LYS 40 78.034 4.548 -11.279 335 2HD LYS 40 HD1 LYS 40 79.238 3.268 -11.124 336 1HE LYS 40 HE2 LYS 40 77.806 1.648 -11.916 337 2HE LYS 40 HE1 LYS 40 76.384 2.400 -11.165 338 1HZ LYS 40 HZ1 LYS 40 76.920 4.310 -12.813 339 2HZ LYS 40 HZ3 LYS 40 77.740 3.106 -13.681 340 3HZ LYS 40 HZ2 LYS 40 76.077 2.944 -13.367 341 H GLU 41 HN GLU 41 79.930 1.427 -6.044 342 HA GLU 41 HA GLU 41 78.105 -0.649 -6.221 343 1HB GLU 41 HB2 GLU 41 79.072 -1.206 -3.917 344 2HB GLU 41 HB1 GLU 41 80.275 -0.835 -5.159 345 1HG GLU 41 HG2 GLU 41 80.540 1.417 -4.357 346 2HG GLU 41 HG1 GLU 41 79.139 1.269 -3.300 347 H ALA 42 HN ALA 42 77.943 2.280 -4.284 348 HA ALA 42 HA ALA 42 75.755 1.386 -2.563 349 1HB ALA 42 HB1 ALA 42 77.052 4.041 -3.229 350 2HB ALA 42 HB3 ALA 42 75.745 3.897 -2.054 351 3HB ALA 42 HB2 ALA 42 77.277 3.068 -1.776 352 H GLU 43 HN GLU 43 75.992 2.443 -5.783 353 HA GLU 43 HA GLU 43 73.699 4.010 -6.271 354 1HB GLU 43 HB2 GLU 43 75.498 3.072 -7.866 355 2HB GLU 43 HB1 GLU 43 74.488 1.628 -7.947 356 1HG GLU 43 HG2 GLU 43 73.053 2.621 -9.359 357 2HG GLU 43 HG1 GLU 43 72.866 4.000 -8.273 358 H ALA 44 HN ALA 44 73.915 0.451 -6.288 359 HA ALA 44 HA ALA 44 71.206 -0.006 -6.800 360 1HB ALA 44 HB1 ALA 44 73.158 -1.628 -6.838 361 2HB ALA 44 HB3 ALA 44 73.039 -1.702 -5.079 362 3HB ALA 44 HB2 ALA 44 71.702 -2.271 -6.078 363 H LYS 45 HN LYS 45 72.775 -0.316 -3.587 364 HA LYS 45 HA LYS 45 70.497 -0.520 -1.993 365 1HB LYS 45 HB2 LYS 45 72.715 -0.622 -1.055 366 2HB LYS 45 HB1 LYS 45 73.088 1.013 -1.616 367 1HG LYS 45 HG2 LYS 45 71.537 1.990 -0.069 368 2HG LYS 45 HG1 LYS 45 70.860 0.414 0.343 369 1HD LYS 45 HD2 LYS 45 73.780 0.640 0.735 370 2HD LYS 45 HD1 LYS 45 72.813 1.665 1.794 371 1HE LYS 45 HE2 LYS 45 71.416 -0.702 1.910 372 2HE LYS 45 HE1 LYS 45 73.094 -1.270 1.789 373 1HZ LYS 45 HZ1 LYS 45 72.327 0.952 3.587 374 2HZ LYS 45 HZ3 LYS 45 72.250 -0.662 4.099 375 3HZ LYS 45 HZ2 LYS 45 73.738 0.005 3.621 376 H PHE 46 HN PHE 46 71.746 2.237 -3.742 377 HA PHE 46 HA PHE 46 70.200 4.310 -2.483 378 1HB PHE 46 HB2 PHE 46 72.101 3.945 -4.571 379 2HB PHE 46 HB1 PHE 46 70.726 4.805 -5.266 380 HD1 PHE 46 HD1 PHE 46 71.808 4.940 -1.721 381 HD2 PHE 46 HD2 PHE 46 71.680 6.973 -5.499 382 HE1 PHE 46 HE1 PHE 46 72.575 7.029 -0.620 383 HE2 PHE 46 HE2 PHE 46 72.445 9.065 -4.402 384 HZ PHE 46 HZ PHE 46 72.893 9.091 -1.961 385 H LYS 47 HN LYS 47 69.684 2.522 -5.567 386 HA LYS 47 HA LYS 47 66.939 3.630 -5.685 387 1HB LYS 47 HB2 LYS 47 67.174 3.202 -7.916 388 2HB LYS 47 HB1 LYS 47 68.875 2.964 -7.529 389 1HG LYS 47 HG2 LYS 47 66.805 0.757 -7.499 390 2HG LYS 47 HG1 LYS 47 67.879 1.092 -8.856 391 1HD LYS 47 HD2 LYS 47 69.644 0.998 -6.753 392 2HD LYS 47 HD1 LYS 47 68.459 -0.224 -6.291 393 1HE LYS 47 HE2 LYS 47 70.031 -0.104 -8.886 394 2HE LYS 47 HE1 LYS 47 70.078 -1.378 -7.651 395 1HZ LYS 47 HZ1 LYS 47 67.478 -1.275 -8.101 396 2HZ LYS 47 HZ3 LYS 47 68.019 -0.798 -9.636 397 3HZ LYS 47 HZ2 LYS 47 68.512 -2.290 -8.989 398 H GLU 48 HN GLU 48 68.551 0.902 -4.436 399 HA GLU 48 HA GLU 48 66.512 -1.124 -4.645 400 1HB GLU 48 HB2 GLU 48 68.860 -0.473 -2.868 401 2HB GLU 48 HB1 GLU 48 67.788 -1.796 -2.424 402 1HG GLU 48 HG2 GLU 48 69.102 -1.540 -5.136 403 2HG GLU 48 HG1 GLU 48 69.772 -2.496 -3.813 404 H ILE 49 HN ILE 49 67.264 1.527 -2.555 405 HA ILE 49 HA ILE 49 65.203 1.068 -0.547 406 HB ILE 49 HB ILE 49 67.069 3.256 -1.415 407 1HG1 ILE 49 HG12 ILE 49 66.859 2.201 1.355 408 2HG1 ILE 49 HG11 ILE 49 67.500 1.122 0.117 409 1HG2 ILE 49 HG21 ILE 49 64.625 3.534 0.198 410 2HG2 ILE 49 HG23 ILE 49 66.074 4.211 0.939 411 3HG2 ILE 49 HG22 ILE 49 65.556 4.761 -0.656 412 1HD1 ILE 49 HD13 ILE 49 68.830 3.449 -0.447 413 2HD1 ILE 49 HD12 ILE 49 68.708 3.533 1.309 414 3HD1 ILE 49 HD11 ILE 49 69.484 2.146 0.543 415 H LYS 50 HN LYS 50 65.671 3.513 -3.056 416 HA LYS 50 HA LYS 50 63.102 4.703 -2.998 417 1HB LYS 50 HB2 LYS 50 65.472 4.831 -4.490 418 2HB LYS 50 HB1 LYS 50 64.237 4.424 -5.681 419 1HG LYS 50 HG2 LYS 50 62.970 6.354 -4.180 420 2HG LYS 50 HG1 LYS 50 64.641 6.923 -4.180 421 1HD LYS 50 HD2 LYS 50 63.630 5.951 -6.791 422 2HD LYS 50 HD1 LYS 50 62.886 7.435 -6.195 423 1HE LYS 50 HE2 LYS 50 65.092 8.482 -5.944 424 2HE LYS 50 HE1 LYS 50 65.880 6.977 -6.461 425 1HZ LYS 50 HZ3 LYS 50 64.277 7.165 -8.455 426 2HZ LYS 50 HZ2 LYS 50 64.174 8.805 -8.025 427 3HZ LYS 50 HZ1 LYS 50 65.674 8.125 -8.441 428 H GLU 51 HN GLU 51 64.205 1.668 -4.336 429 HA GLU 51 HA GLU 51 61.880 1.154 -6.023 430 1HB GLU 51 HB2 GLU 51 64.167 0.243 -6.356 431 2HB GLU 51 HB1 GLU 51 64.005 -0.658 -4.847 432 1HG GLU 51 HG2 GLU 51 62.898 -2.308 -5.911 433 2HG GLU 51 HG1 GLU 51 61.698 -1.154 -6.493 434 H ALA 52 HN ALA 52 62.857 0.466 -2.707 435 HA ALA 52 HA ALA 52 60.992 -1.538 -1.970 436 1HB ALA 52 HB3 ALA 52 62.887 -0.633 -0.635 437 2HB ALA 52 HB2 ALA 52 61.980 0.862 -0.407 438 3HB ALA 52 HB1 ALA 52 61.378 -0.648 0.278 439 H TYR 53 HN TYR 53 60.459 1.673 -3.008 440 HA TYR 53 HA TYR 53 58.039 2.269 -1.561 441 1HB TYR 53 HB2 TYR 53 59.294 3.231 -4.158 442 2HB TYR 53 HB1 TYR 53 57.872 3.978 -3.441 443 HD1 TYR 53 HD1 TYR 53 61.262 2.824 -2.198 444 HD2 TYR 53 HD2 TYR 53 58.289 5.922 -2.297 445 HE1 TYR 53 HE1 TYR 53 62.697 4.229 -0.787 446 HE2 TYR 53 HE2 TYR 53 59.735 7.335 -0.876 447 HH TYR 53 HH TYR 53 61.932 6.453 0.977 448 H GLU 54 HN GLU 54 58.834 0.856 -4.711 449 HA GLU 54 HA GLU 54 56.221 0.663 -5.819 450 1HB GLU 54 HB2 GLU 54 58.331 -1.484 -6.096 451 2HB GLU 54 HB1 GLU 54 57.224 -0.871 -7.326 452 1HG GLU 54 HG2 GLU 54 58.585 1.395 -6.635 453 2HG GLU 54 HG1 GLU 54 59.835 0.164 -6.459 454 H VAL 55 HN VAL 55 57.745 -0.943 -3.190 455 HA VAL 55 HA VAL 55 55.711 -3.080 -3.207 456 HB VAL 55 HB VAL 55 58.483 -2.844 -2.570 457 1HG1 VAL 55 HG12 VAL 55 56.721 -3.613 -0.231 458 2HG1 VAL 55 HG11 VAL 55 58.436 -4.014 -0.337 459 3HG1 VAL 55 HG13 VAL 55 57.926 -2.326 -0.277 460 1HG2 VAL 55 HG22 VAL 55 57.241 -4.713 -3.711 461 2HG2 VAL 55 HG21 VAL 55 58.378 -5.240 -2.469 462 3HG2 VAL 55 HG23 VAL 55 56.651 -5.200 -2.122 463 H LEU 56 HN LEU 56 57.139 -0.647 -1.006 464 HA LEU 56 HA LEU 56 54.994 -1.183 0.914 465 1HB LEU 56 HB2 LEU 56 56.695 -0.783 2.289 466 2HB LEU 56 HB1 LEU 56 57.704 -0.402 0.907 467 HG LEU 56 HG LEU 56 57.738 1.401 2.527 468 1HD1 LEU 56 HD11 LEU 56 56.929 1.639 -0.216 469 2HD1 LEU 56 HD13 LEU 56 56.239 2.962 0.720 470 3HD1 LEU 56 HD12 LEU 56 57.982 2.698 0.721 471 1HD2 LEU 56 HD22 LEU 56 54.995 0.773 2.796 472 2HD2 LEU 56 HD21 LEU 56 55.903 2.008 3.670 473 3HD2 LEU 56 HD23 LEU 56 55.067 2.422 2.173 474 H THR 57 HN THR 57 55.536 1.306 -1.528 475 HA THR 57 HA THR 57 53.658 3.146 -0.150 476 HB THR 57 HB THR 57 54.045 4.573 -2.141 477 HG1 THR 57 HG1 THR 57 55.965 3.371 -3.377 478 1HG2 THR 57 HG22 THR 57 55.691 4.452 -0.197 479 2HG2 THR 57 HG21 THR 57 56.689 3.441 -1.239 480 3HG2 THR 57 HG23 THR 57 56.324 5.096 -1.709 481 H ASP 58 HN ASP 58 52.678 0.474 -0.940 482 HA ASP 58 HA ASP 58 50.309 1.361 -2.461 483 1HB ASP 58 HB2 ASP 58 52.523 -0.017 -3.635 484 2HB ASP 58 HB1 ASP 58 51.165 -1.145 -3.560 485 H SER 59 HN SER 59 48.626 0.638 -1.412 486 HA SER 59 HA SER 59 48.655 -0.981 0.816 487 1HB SER 59 HB2 SER 59 46.814 0.462 -0.431 488 2HB SER 59 HB1 SER 59 46.327 -1.109 -1.059 489 HG SER 59 HG SER 59 45.611 -0.141 1.188 490 H GLN 60 HN GLN 60 48.102 -1.999 -2.551 491 HA GLN 60 HA GLN 60 47.626 -4.771 -2.031 492 1HB GLN 60 HB2 GLN 60 47.190 -3.468 -4.132 493 2HB GLN 60 HB1 GLN 60 48.930 -3.423 -4.420 494 1HG GLN 60 HG2 GLN 60 48.786 -6.021 -4.165 495 2HG GLN 60 HG1 GLN 60 47.067 -5.782 -4.484 496 1HE2 GLN 60 HE22 GLN 60 49.770 -5.283 -7.500 497 2HE2 GLN 60 HE21 GLN 60 50.298 -5.533 -5.906 498 H LYS 61 HN LYS 61 50.622 -3.000 -2.815 499 HA LYS 61 HA LYS 61 52.408 -5.252 -2.763 500 1HB LYS 61 HB2 LYS 61 52.837 -2.317 -2.205 501 2HB LYS 61 HB1 LYS 61 54.081 -3.478 -2.663 502 1HG LYS 61 HG2 LYS 61 51.674 -2.740 -4.344 503 2HG LYS 61 HG1 LYS 61 53.319 -2.170 -4.615 504 1HD LYS 61 HD2 LYS 61 52.423 -5.068 -4.670 505 2HD LYS 61 HD1 LYS 61 52.806 -4.084 -6.084 506 1HE LYS 61 HE2 LYS 61 55.118 -3.718 -4.963 507 2HE LYS 61 HE1 LYS 61 54.685 -5.109 -3.951 508 1HZ LYS 61 HZ3 LYS 61 54.081 -5.426 -6.760 509 2HZ LYS 61 HZ2 LYS 61 55.741 -5.303 -6.421 510 3HZ LYS 61 HZ1 LYS 61 54.808 -6.514 -5.680 511 H ARG 62 HN ARG 62 51.749 -2.785 -0.243 512 HA ARG 62 HA ARG 62 53.366 -4.117 1.732 513 1HB ARG 62 HB2 ARG 62 52.194 -2.556 3.260 514 2HB ARG 62 HB1 ARG 62 52.657 -1.725 1.774 515 1HG ARG 62 HG2 ARG 62 50.505 -1.377 1.172 516 2HG ARG 62 HG1 ARG 62 50.039 -3.022 1.586 517 1HD ARG 62 HD2 ARG 62 48.902 -2.022 3.306 518 2HD ARG 62 HD1 ARG 62 50.497 -1.938 4.077 519 HE ARG 62 HE ARG 62 49.983 0.261 2.217 520 1HH1 ARG 62 HH21 ARG 62 49.506 -0.957 5.412 521 2HH1 ARG 62 HH22 ARG 62 49.482 0.612 6.144 522 1HH2 ARG 62 HH11 ARG 62 50.012 2.307 3.169 523 2HH2 ARG 62 HH12 ARG 62 49.769 2.458 4.877 524 H ALA 63 HN ALA 63 50.174 -4.617 0.517 525 HA ALA 63 HA ALA 63 49.121 -6.107 2.788 526 1HB ALA 63 HB3 ALA 63 48.400 -5.925 -0.163 527 2HB ALA 63 HB2 ALA 63 47.415 -6.760 1.038 528 3HB ALA 63 HB1 ALA 63 47.659 -5.019 1.155 529 H ALA 64 HN ALA 64 51.006 -6.707 -0.070 530 HA ALA 64 HA ALA 64 50.863 -9.591 -0.103 531 1HB ALA 64 HB2 ALA 64 51.681 -7.708 -1.799 532 2HB ALA 64 HB1 ALA 64 53.232 -7.969 -1.000 533 3HB ALA 64 HB3 ALA 64 52.430 -9.306 -1.825 534 H TYR 65 HN TYR 65 53.149 -7.197 1.230 535 HA TYR 65 HA TYR 65 54.993 -9.032 2.400 536 1HB TYR 65 HB2 TYR 65 54.774 -6.351 2.002 537 2HB TYR 65 HB1 TYR 65 54.441 -6.447 3.739 538 HD1 TYR 65 HD1 TYR 65 56.720 -8.260 1.367 539 HD2 TYR 65 HD2 TYR 65 56.323 -6.106 5.061 540 HE1 TYR 65 HE1 TYR 65 59.119 -8.649 1.852 541 HE2 TYR 65 HE2 TYR 65 58.726 -6.488 5.541 542 HH TYR 65 HH TYR 65 60.465 -8.469 4.693 543 H ASP 66 HN ASP 66 52.155 -7.363 3.833 544 HA ASP 66 HA ASP 66 52.360 -8.152 6.485 545 1HB ASP 66 HB2 ASP 66 50.228 -7.340 6.555 546 2HB ASP 66 HB1 ASP 66 50.496 -6.963 4.857 547 H GLN 67 HN GLN 67 51.736 -10.192 3.725 548 HA GLN 67 HA GLN 67 51.043 -12.497 5.493 549 1HB GLN 67 HB2 GLN 67 50.980 -12.137 2.478 550 2HB GLN 67 HB1 GLN 67 50.327 -13.515 3.363 551 1HG GLN 67 HG2 GLN 67 49.371 -10.876 4.289 552 2HG GLN 67 HG1 GLN 67 48.859 -11.323 2.662 553 1HE2 GLN 67 HE22 GLN 67 46.895 -12.936 5.703 554 2HE2 GLN 67 HE21 GLN 67 47.795 -11.499 5.776 555 H TYR 68 HN TYR 68 53.769 -11.079 4.266 556 HA TYR 68 HA TYR 68 55.954 -11.861 3.823 557 1HB TYR 68 HB2 TYR 68 54.617 -13.806 5.662 558 2HB TYR 68 HB1 TYR 68 56.189 -14.259 4.992 559 HD1 TYR 68 HD1 TYR 68 54.382 -11.832 7.109 560 HD2 TYR 68 HD2 TYR 68 58.210 -13.032 5.573 561 HE1 TYR 68 HE1 TYR 68 55.506 -10.352 8.752 562 HE2 TYR 68 HE2 TYR 68 59.333 -11.551 7.215 563 HH TYR 68 HH TYR 68 58.693 -9.434 8.517 564 H GLY 69 HN GLY 69 53.517 -12.717 2.067 565 1HA GLY 69 HA2 GLY 69 53.814 -13.674 -0.156 566 2HA GLY 69 HA1 GLY 69 55.046 -14.746 0.511 567 H HIS 70 HN HIS 70 52.576 -15.445 -0.998 568 HA HIS 70 HA HIS 70 50.491 -16.448 0.608 569 1HB HIS 70 HB2 HIS 70 50.112 -17.966 -1.293 570 2HB HIS 70 HB1 HIS 70 50.575 -16.365 -1.878 571 HD1 HIS 70 HD1 HIS 70 51.682 -19.906 -1.784 572 HD2 HIS 70 HD2 HIS 70 53.297 -16.223 -2.880 573 HE1 HIS 70 HE1 HIS 70 53.779 -20.410 -3.111 574 H ALA 71 HN ALA 71 53.781 -17.500 0.417 575 HA ALA 71 HA ALA 71 53.741 -20.221 1.006 576 1HB ALA 71 HB2 ALA 71 55.405 -17.942 2.120 577 2HB ALA 71 HB1 ALA 71 55.810 -19.640 2.374 578 3HB ALA 71 HB3 ALA 71 55.793 -18.972 0.741 579 H ALA 72 HN ALA 72 53.241 -17.500 3.264 580 HA ALA 72 HA ALA 72 53.018 -18.915 5.692 581 1HB ALA 72 HB3 ALA 72 51.657 -16.461 4.555 582 2HB ALA 72 HB2 ALA 72 51.439 -16.957 6.234 583 3HB ALA 72 HB1 ALA 72 53.042 -16.521 5.644 584 H PHE 73 HN PHE 73 50.936 -18.931 2.925 585 HA PHE 73 HA PHE 73 49.092 -20.788 4.339 586 1HB PHE 73 HB2 PHE 73 48.531 -18.049 3.329 587 2HB PHE 73 HB1 PHE 73 47.318 -19.273 2.940 588 HD1 PHE 73 HD2 PHE 73 47.181 -21.037 5.160 589 HD2 PHE 73 HD1 PHE 73 47.881 -16.800 5.182 590 HE1 PHE 73 HE2 PHE 73 46.304 -20.904 7.476 591 HE2 PHE 73 HE1 PHE 73 47.005 -16.666 7.499 592 HZ PHE 73 HZ PHE 73 46.216 -18.719 8.646 593 H GLU 74 HN GLU 74 50.704 -21.938 2.717 594 HA GLU 74 HA GLU 74 50.543 -21.835 -0.066 595 1HB GLU 74 HB2 GLU 74 50.522 -24.369 1.596 596 2HB GLU 74 HB1 GLU 74 51.298 -24.120 0.032 597 1HG GLU 74 HG2 GLU 74 52.318 -22.101 1.715 598 2HG GLU 74 HG1 GLU 74 52.332 -23.578 2.678 599 H GLN 75 HN GLN 75 48.892 -22.160 -1.509 600 HA GLN 75 HA GLN 75 46.748 -22.726 -2.334 601 1HB GLN 75 HB2 GLN 75 47.807 -24.947 -0.690 602 2HB GLN 75 HB1 GLN 75 46.071 -25.014 -0.994 603 1HG GLN 75 HG2 GLN 75 46.660 -25.977 -2.965 604 2HG GLN 75 HG1 GLN 75 47.045 -24.331 -3.469 605 1HE2 GLN 75 HE22 GLN 75 50.611 -24.798 -2.939 606 2HE2 GLN 75 HE21 GLN 75 49.397 -23.628 -2.733 607 H GLY 76 HN GLY 76 45.328 -21.132 -1.578 608 1HA GLY 76 HA2 GLY 76 44.460 -21.097 1.221 609 2HA GLY 76 HA1 GLY 76 43.892 -20.018 -0.056 610 H GLY 77 HN GLY 77 43.847 -23.577 0.325 611 1HA GLY 77 HA2 GLY 77 40.903 -23.451 -0.202 612 2HA GLY 77 HA1 GLY 77 41.929 -24.751 -0.808 No H/Q in entry = 612 Start of MODEL 17 1 1H ALA 1 HT1 ALA 1 70.601 -9.288 6.724 2 2H ALA 1 HT3 ALA 1 72.210 -9.406 7.247 3 3H ALA 1 HT2 ALA 1 70.988 -8.985 8.350 4 HA ALA 1 HA ALA 1 72.241 -7.013 7.727 5 1HB ALA 1 HB3 ALA 1 72.457 -8.414 5.375 6 2HB ALA 1 HB2 ALA 1 71.287 -7.169 4.935 7 3HB ALA 1 HB1 ALA 1 72.874 -6.710 5.553 8 H LYS 2 HN LYS 2 69.186 -8.353 7.548 9 HA LYS 2 HA LYS 2 66.999 -7.430 7.470 10 1HB LYS 2 HB2 LYS 2 68.682 -5.306 8.839 11 2HB LYS 2 HB1 LYS 2 66.921 -5.362 8.900 12 1HG LYS 2 HG2 LYS 2 67.116 -6.726 10.682 13 2HG LYS 2 HG1 LYS 2 67.737 -7.955 9.580 14 1HD LYS 2 HD2 LYS 2 69.799 -7.792 10.470 15 2HD LYS 2 HD1 LYS 2 69.816 -6.046 10.212 16 1HE LYS 2 HE2 LYS 2 68.107 -6.217 12.337 17 2HE LYS 2 HE1 LYS 2 69.205 -7.570 12.674 18 1HZ LYS 2 HZ3 LYS 2 70.129 -4.865 11.873 19 2HZ LYS 2 HZ2 LYS 2 70.015 -5.370 13.492 20 3HZ LYS 2 HZ1 LYS 2 71.081 -6.155 12.426 21 H GLN 3 HN GLN 3 67.805 -7.184 4.962 22 HA GLN 3 HA GLN 3 67.476 -4.288 4.246 23 1HB GLN 3 HB2 GLN 3 69.261 -6.468 3.375 24 2HB GLN 3 HB1 GLN 3 68.574 -5.519 2.056 25 1HG GLN 3 HG2 GLN 3 69.637 -3.581 2.706 26 2HG GLN 3 HG1 GLN 3 69.631 -4.027 4.413 27 1HE2 GLN 3 HE22 GLN 3 72.647 -5.448 2.005 28 2HE2 GLN 3 HE21 GLN 3 71.186 -4.949 1.298 29 H ASP 4 HN ASP 4 65.093 -5.336 4.622 30 HA ASP 4 HA ASP 4 64.146 -6.342 1.975 31 1HB ASP 4 HB2 ASP 4 63.170 -7.962 3.232 32 2HB ASP 4 HB1 ASP 4 63.818 -7.205 4.686 33 H TYR 5 HN TYR 5 63.841 -4.380 0.972 34 HA TYR 5 HA TYR 5 63.118 -2.090 0.823 35 1HB TYR 5 HB2 TYR 5 60.391 -2.661 0.828 36 2HB TYR 5 HB1 TYR 5 61.485 -2.776 -0.546 37 HD1 TYR 5 HD1 TYR 5 62.644 -4.938 -1.048 38 HD2 TYR 5 HD2 TYR 5 59.480 -4.635 1.837 39 HE1 TYR 5 HE1 TYR 5 62.310 -7.393 -1.162 40 HE2 TYR 5 HE2 TYR 5 59.144 -7.092 1.726 41 HH TYR 5 HH TYR 5 59.579 -8.941 0.162 42 H TYR 6 HN TYR 6 60.440 -3.332 2.836 43 HA TYR 6 HA TYR 6 59.985 -1.026 4.325 44 1HB TYR 6 HB2 TYR 6 59.801 -3.959 4.896 45 2HB TYR 6 HB1 TYR 6 59.366 -2.780 6.141 46 HD1 TYR 6 HD1 TYR 6 57.844 -0.798 5.344 47 HD2 TYR 6 HD2 TYR 6 58.168 -4.566 3.310 48 HE1 TYR 6 HE1 TYR 6 55.674 -0.380 4.226 49 HE2 TYR 6 HE2 TYR 6 55.988 -4.145 2.190 50 HH TYR 6 HH TYR 6 54.057 -1.275 3.009 51 H GLU 7 HN GLU 7 62.589 -3.404 4.645 52 HA GLU 7 HA GLU 7 63.686 -2.017 7.038 53 1HB GLU 7 HB2 GLU 7 63.790 -4.621 5.840 54 2HB GLU 7 HB1 GLU 7 65.434 -3.979 5.881 55 1HG GLU 7 HG2 GLU 7 65.348 -4.862 8.008 56 2HG GLU 7 HG1 GLU 7 64.677 -3.265 8.347 57 H ILE 8 HN ILE 8 64.139 -2.390 3.570 58 HA ILE 8 HA ILE 8 66.667 -1.356 3.069 59 HB ILE 8 HB ILE 8 63.997 -0.966 1.753 60 1HG1 ILE 8 HG12 ILE 8 65.214 -3.237 1.888 61 2HG1 ILE 8 HG11 ILE 8 64.750 -2.701 0.273 62 1HG2 ILE 8 HG23 ILE 8 66.711 -0.081 0.786 63 2HG2 ILE 8 HG22 ILE 8 65.279 -0.196 -0.241 64 3HG2 ILE 8 HG21 ILE 8 65.309 0.937 1.111 65 1HD1 ILE 8 HD11 ILE 8 67.475 -2.157 1.472 66 2HD1 ILE 8 HD13 ILE 8 67.125 -3.577 0.487 67 3HD1 ILE 8 HD12 ILE 8 66.983 -1.964 -0.210 68 H LEU 9 HN LEU 9 63.660 0.392 3.627 69 HA LEU 9 HA LEU 9 64.882 3.071 3.688 70 1HB LEU 9 HB2 LEU 9 62.174 1.980 4.523 71 2HB LEU 9 HB1 LEU 9 62.541 3.664 4.150 72 HG LEU 9 HG LEU 9 63.448 2.099 1.976 73 1HD1 LEU 9 HD12 LEU 9 61.168 0.921 3.287 74 2HD1 LEU 9 HD11 LEU 9 60.706 1.507 1.691 75 3HD1 LEU 9 HD13 LEU 9 62.033 0.361 1.856 76 1HD2 LEU 9 HD21 LEU 9 61.772 4.376 2.542 77 2HD2 LEU 9 HD23 LEU 9 62.639 3.993 1.055 78 3HD2 LEU 9 HD22 LEU 9 61.006 3.375 1.309 79 H GLY 10 HN GLY 10 64.136 0.481 5.886 80 1HA GLY 10 HA2 GLY 10 65.129 0.336 8.095 81 2HA GLY 10 HA1 GLY 10 65.168 2.101 8.154 82 H VAL 11 HN VAL 11 62.297 0.803 6.823 83 HA VAL 11 HA VAL 11 60.834 1.590 9.310 84 HB VAL 11 HB VAL 11 59.098 0.913 7.152 85 1HG1 VAL 11 HG11 VAL 11 59.929 3.466 8.514 86 2HG1 VAL 11 HG13 VAL 11 58.678 3.429 7.273 87 3HG1 VAL 11 HG12 VAL 11 58.461 2.521 8.770 88 1HG2 VAL 11 HG23 VAL 11 61.461 2.595 6.358 89 2HG2 VAL 11 HG22 VAL 11 60.766 1.210 5.513 90 3HG2 VAL 11 HG21 VAL 11 59.895 2.741 5.562 91 H SER 12 HN SER 12 58.580 0.262 9.296 92 HA SER 12 HA SER 12 59.338 -2.523 9.842 93 1HB SER 12 HB2 SER 12 57.388 -0.580 10.695 94 2HB SER 12 HB1 SER 12 56.577 -2.071 10.223 95 HG SER 12 HG SER 12 58.237 -3.131 11.563 96 H LYS 13 HN LYS 13 58.406 -4.331 8.797 97 HA LYS 13 HA LYS 13 57.950 -4.231 6.041 98 1HB LYS 13 HB2 LYS 13 57.202 -6.462 6.292 99 2HB LYS 13 HB1 LYS 13 58.403 -6.181 7.553 100 1HG LYS 13 HG2 LYS 13 56.463 -5.583 9.098 101 2HG LYS 13 HG1 LYS 13 55.388 -6.215 7.851 102 1HD LYS 13 HD2 LYS 13 56.570 -8.391 7.946 103 2HD LYS 13 HD1 LYS 13 57.609 -7.758 9.223 104 1HE LYS 13 HE2 LYS 13 54.696 -7.444 9.704 105 2HE LYS 13 HE1 LYS 13 55.307 -9.111 9.741 106 1HZ LYS 13 HZ2 LYS 13 56.897 -7.019 11.039 107 2HZ LYS 13 HZ1 LYS 13 55.499 -7.559 11.840 108 3HZ LYS 13 HZ3 LYS 13 56.730 -8.659 11.449 109 H THR 14 HN THR 14 55.862 -3.308 8.614 110 HA THR 14 HA THR 14 53.534 -3.139 6.743 111 HB THR 14 HB THR 14 52.184 -3.422 8.649 112 HG1 THR 14 HG1 THR 14 52.622 -2.306 10.348 113 1HG2 THR 14 HG22 THR 14 53.544 -5.449 8.281 114 2HG2 THR 14 HG21 THR 14 54.779 -4.817 9.368 115 3HG2 THR 14 HG23 THR 14 53.184 -5.233 9.993 116 H ALA 15 HN ALA 15 56.039 -1.305 7.438 117 HA ALA 15 HA ALA 15 55.301 1.100 8.653 118 1HB ALA 15 HB2 ALA 15 57.500 0.281 7.797 119 2HB ALA 15 HB1 ALA 15 56.962 0.699 6.171 120 3HB ALA 15 HB3 ALA 15 57.149 1.960 7.388 121 H GLU 16 HN GLU 16 55.925 2.703 6.154 122 HA GLU 16 HA GLU 16 53.584 2.590 4.454 123 1HB GLU 16 HB2 GLU 16 53.631 4.083 6.966 124 2HB GLU 16 HB1 GLU 16 53.319 5.141 5.586 125 1HG GLU 16 HG2 GLU 16 51.533 3.557 4.839 126 2HG GLU 16 HG1 GLU 16 51.795 2.621 6.312 127 H GLU 17 HN GLU 17 53.591 5.066 3.442 128 HA GLU 17 HA GLU 17 56.261 5.308 2.220 129 1HB GLU 17 HB2 GLU 17 55.088 6.682 0.615 130 2HB GLU 17 HB1 GLU 17 54.047 5.309 0.994 131 1HG GLU 17 HG2 GLU 17 52.443 6.828 1.467 132 2HG GLU 17 HG1 GLU 17 53.367 7.185 2.928 133 H ARG 18 HN ARG 18 54.696 6.706 4.884 134 HA ARG 18 HA ARG 18 55.783 9.408 4.567 135 1HB ARG 18 HB2 ARG 18 54.931 9.558 6.982 136 2HB ARG 18 HB1 ARG 18 53.723 9.160 5.761 137 1HG ARG 18 HG2 ARG 18 53.382 7.084 6.606 138 2HG ARG 18 HG1 ARG 18 55.106 6.810 6.857 139 1HD ARG 18 HD2 ARG 18 54.645 7.039 9.081 140 2HD ARG 18 HD1 ARG 18 54.481 8.773 8.742 141 HE ARG 18 HE ARG 18 52.261 6.875 9.085 142 1HH1 ARG 18 HH11 ARG 18 51.589 8.227 6.571 143 2HH1 ARG 18 HH12 ARG 18 50.803 9.680 7.097 144 1HH2 ARG 18 HH21 ARG 18 52.005 9.472 10.340 145 2HH2 ARG 18 HH22 ARG 18 51.032 10.378 9.231 146 H GLU 19 HN GLU 19 56.793 6.446 6.113 147 HA GLU 19 HA GLU 19 59.111 7.830 7.341 148 1HB GLU 19 HB2 GLU 19 59.282 5.175 8.047 149 2HB GLU 19 HB1 GLU 19 58.488 6.405 9.017 150 1HG GLU 19 HG2 GLU 19 56.343 5.864 7.838 151 2HG GLU 19 HG1 GLU 19 57.174 4.544 7.016 152 H ILE 20 HN ILE 20 58.096 5.980 4.656 153 HA ILE 20 HA ILE 20 60.725 4.813 4.033 154 HB ILE 20 HB ILE 20 57.951 4.735 3.082 155 1HG1 ILE 20 HG12 ILE 20 59.297 2.618 1.968 156 2HG1 ILE 20 HG11 ILE 20 60.314 3.004 3.354 157 1HG2 ILE 20 HG23 ILE 20 60.133 5.264 1.093 158 2HG2 ILE 20 HG22 ILE 20 58.883 4.099 0.673 159 3HG2 ILE 20 HG21 ILE 20 58.442 5.763 1.055 160 1HD1 ILE 20 HD13 ILE 20 58.157 3.045 4.732 161 2HD1 ILE 20 HD12 ILE 20 57.377 2.291 3.341 162 3HD1 ILE 20 HD11 ILE 20 58.692 1.460 4.171 163 H ARG 21 HN ARG 21 58.599 7.337 2.654 164 HA ARG 21 HA ARG 21 60.432 8.546 0.877 165 1HB ARG 21 HB2 ARG 21 58.971 10.502 1.154 166 2HB ARG 21 HB1 ARG 21 57.968 9.054 1.226 167 1HG ARG 21 HG2 ARG 21 57.219 10.310 3.070 168 2HG ARG 21 HG1 ARG 21 58.356 9.175 3.794 169 1HD ARG 21 HD2 ARG 21 59.477 10.958 4.640 170 2HD ARG 21 HD1 ARG 21 59.901 11.412 2.978 171 HE ARG 21 HE ARG 21 57.187 12.191 3.611 172 1HH1 ARG 21 HH11 ARG 21 59.948 12.961 5.292 173 2HH1 ARG 21 HH12 ARG 21 59.924 14.657 4.940 174 1HH2 ARG 21 HH21 ARG 21 57.375 14.404 2.601 175 2HH2 ARG 21 HH22 ARG 21 58.460 15.475 3.424 176 H LYS 22 HN LYS 22 60.054 8.645 4.329 177 HA LYS 22 HA LYS 22 61.881 10.763 4.919 178 1HB LYS 22 HB2 LYS 22 59.886 9.638 6.212 179 2HB LYS 22 HB1 LYS 22 61.116 8.495 6.748 180 1HG LYS 22 HG2 LYS 22 61.300 11.512 7.066 181 2HG LYS 22 HG1 LYS 22 60.827 10.393 8.342 182 1HD LYS 22 HD2 LYS 22 63.485 10.285 6.880 183 2HD LYS 22 HD1 LYS 22 63.244 11.044 8.447 184 1HE LYS 22 HE2 LYS 22 62.241 8.253 8.204 185 2HE LYS 22 HE1 LYS 22 64.003 8.462 8.217 186 1HZ LYS 22 HZ3 LYS 22 63.735 9.928 10.158 187 2HZ LYS 22 HZ2 LYS 22 62.072 9.574 10.186 188 3HZ LYS 22 HZ1 LYS 22 63.212 8.348 10.473 189 H ALA 23 HN ALA 23 62.101 7.218 5.363 190 HA ALA 23 HA ALA 23 64.733 6.970 6.217 191 1HB ALA 23 HB2 ALA 23 62.911 5.396 4.428 192 2HB ALA 23 HB1 ALA 23 64.551 4.816 4.716 193 3HB ALA 23 HB3 ALA 23 63.438 5.024 6.069 194 H TYR 24 HN TYR 24 63.646 6.984 2.812 195 HA TYR 24 HA TYR 24 66.303 7.072 1.706 196 1HB TYR 24 HB2 TYR 24 64.039 6.306 0.718 197 2HB TYR 24 HB1 TYR 24 63.727 8.012 0.421 198 HD1 TYR 24 HD2 TYR 24 66.981 6.184 0.230 199 HD2 TYR 24 HD1 TYR 24 63.875 8.227 -1.922 200 HE1 TYR 24 HE2 TYR 24 68.358 6.110 -1.828 201 HE2 TYR 24 HE1 TYR 24 65.255 8.149 -3.984 202 HH TYR 24 HH TYR 24 68.169 6.265 -4.172 203 H LYS 25 HN LYS 25 64.243 9.401 3.170 204 HA LYS 25 HA LYS 25 65.497 11.686 1.808 205 1HB LYS 25 HB2 LYS 25 63.253 12.048 2.144 206 2HB LYS 25 HB1 LYS 25 63.214 10.981 3.544 207 1HG LYS 25 HG2 LYS 25 64.811 13.362 4.057 208 2HG LYS 25 HG1 LYS 25 63.135 13.744 3.641 209 1HD LYS 25 HD2 LYS 25 62.264 12.419 5.347 210 2HD LYS 25 HD1 LYS 25 63.755 11.489 5.513 211 1HE LYS 25 HE2 LYS 25 63.358 13.179 7.385 212 2HE LYS 25 HE1 LYS 25 64.893 13.406 6.524 213 1HZ LYS 25 HZ3 LYS 25 62.397 14.731 5.650 214 2HZ LYS 25 HZ2 LYS 25 63.435 15.449 6.789 215 3HZ LYS 25 HZ1 LYS 25 63.992 15.109 5.219 216 H ARG 26 HN ARG 26 65.396 10.107 4.977 217 HA ARG 26 HA ARG 26 67.294 12.025 6.146 218 1HB ARG 26 HB2 ARG 26 65.431 9.926 6.981 219 2HB ARG 26 HB1 ARG 26 66.942 9.908 7.892 220 1HG ARG 26 HG2 ARG 26 66.393 12.594 7.783 221 2HG ARG 26 HG1 ARG 26 64.776 11.902 7.893 222 1HD ARG 26 HD2 ARG 26 65.100 11.598 10.114 223 2HD ARG 26 HD1 ARG 26 66.418 10.470 9.735 224 HE ARG 26 HE ARG 26 67.897 12.536 9.562 225 1HH1 ARG 26 HH11 ARG 26 65.177 14.109 10.077 226 2HH1 ARG 26 HH12 ARG 26 65.524 14.723 11.658 227 1HH2 ARG 26 HH21 ARG 26 68.263 12.658 12.150 228 2HH2 ARG 26 HH22 ARG 26 67.270 13.904 12.830 229 H LEU 27 HN LEU 27 67.269 8.624 5.064 230 HA LEU 27 HA LEU 27 70.009 8.123 5.940 231 1HB LEU 27 HB2 LEU 27 69.562 5.941 5.232 232 2HB LEU 27 HB1 LEU 27 67.943 6.531 5.605 233 HG LEU 27 HG LEU 27 67.992 7.272 3.061 234 1HD1 LEU 27 HD12 LEU 27 70.438 5.856 3.329 235 2HD1 LEU 27 HD11 LEU 27 69.360 4.839 2.375 236 3HD1 LEU 27 HD13 LEU 27 69.716 6.483 1.848 237 1HD2 LEU 27 HD22 LEU 27 66.650 5.421 4.403 238 2HD2 LEU 27 HD21 LEU 27 66.629 5.437 2.639 239 3HD2 LEU 27 HD23 LEU 27 67.693 4.323 3.498 240 H ALA 28 HN ALA 28 68.397 9.014 2.915 241 HA ALA 28 HA ALA 28 70.781 8.601 1.313 242 1HB ALA 28 HB3 ALA 28 68.249 8.559 0.727 243 2HB ALA 28 HB2 ALA 28 68.413 10.312 0.610 244 3HB ALA 28 HB1 ALA 28 69.364 9.264 -0.442 245 H MET 29 HN MET 29 69.172 11.398 2.826 246 HA MET 29 HA MET 29 70.866 13.421 1.737 247 1HB MET 29 HB2 MET 29 70.101 14.719 3.669 248 2HB MET 29 HB1 MET 29 68.759 13.731 3.097 249 1HG MET 29 HG2 MET 29 69.006 12.175 4.868 250 2HG MET 29 HG1 MET 29 70.616 12.766 5.272 251 1HE MET 29 HE2 MET 29 71.249 14.498 6.535 252 2HE MET 29 HE1 MET 29 70.583 15.874 5.661 253 3HE MET 29 HE3 MET 29 70.290 15.698 7.396 254 H LYS 30 HN LYS 30 71.290 10.974 4.165 255 HA LYS 30 HA LYS 30 73.859 12.068 5.152 256 1HB LYS 30 HB2 LYS 30 72.148 9.625 5.692 257 2HB LYS 30 HB1 LYS 30 73.730 9.843 6.440 258 1HG LYS 30 HG2 LYS 30 73.036 11.685 7.693 259 2HG LYS 30 HG1 LYS 30 71.705 12.055 6.597 260 1HD LYS 30 HD2 LYS 30 70.520 11.082 8.330 261 2HD LYS 30 HD1 LYS 30 70.868 9.648 7.362 262 1HE LYS 30 HE2 LYS 30 71.891 8.773 9.188 263 2HE LYS 30 HE1 LYS 30 73.136 10.026 9.014 264 1HZ LYS 30 HZ3 LYS 30 70.524 10.625 10.260 265 2HZ LYS 30 HZ2 LYS 30 71.798 9.979 11.180 266 3HZ LYS 30 HZ1 LYS 30 71.984 11.477 10.400 267 H TYR 31 HN TYR 31 72.631 9.894 2.753 268 HA TYR 31 HA TYR 31 75.353 8.736 2.302 269 1HB TYR 31 HB2 TYR 31 72.558 7.792 2.136 270 2HB TYR 31 HB1 TYR 31 73.581 7.289 0.784 271 HD1 TYR 31 HD1 TYR 31 74.906 8.004 4.146 272 HD2 TYR 31 HD2 TYR 31 73.664 4.929 1.419 273 HE1 TYR 31 HE1 TYR 31 75.960 6.297 5.597 274 HE2 TYR 31 HE2 TYR 31 74.720 3.217 2.869 275 HH TYR 31 HH TYR 31 75.946 2.848 4.684 276 H HIS 32 HN HIS 32 73.835 11.296 1.352 277 HA HIS 32 HA HIS 32 73.495 11.248 -1.451 278 1HB HIS 32 HB2 HIS 32 73.561 13.661 -1.070 279 2HB HIS 32 HB1 HIS 32 72.792 12.879 0.297 280 HD1 HIS 32 HD1 HIS 32 74.582 15.614 0.306 281 HD2 HIS 32 HD2 HIS 32 75.654 11.857 1.760 282 HE1 HIS 32 HE1 HIS 32 76.402 16.008 2.024 283 HA PRO 33 HA PRO 33 77.492 11.631 -3.191 284 1HB PRO 33 HB2 PRO 33 78.459 14.182 -3.479 285 2HB PRO 33 HB1 PRO 33 77.221 13.465 -4.530 286 1HG PRO 33 HG2 PRO 33 76.912 15.349 -2.259 287 2HG PRO 33 HG1 PRO 33 76.021 15.260 -3.785 288 1HD PRO 33 HD2 PRO 33 75.081 14.381 -1.416 289 2HD PRO 33 HD1 PRO 33 74.552 13.727 -2.979 290 H ASP 34 HN ASP 34 77.580 11.067 -0.549 291 HA ASP 34 HA ASP 34 80.015 12.431 0.530 292 1HB ASP 34 HB2 ASP 34 78.829 12.327 2.477 293 2HB ASP 34 HB1 ASP 34 77.499 11.574 1.609 294 H ARG 35 HN ARG 35 78.477 9.334 -0.185 295 HA ARG 35 HA ARG 35 81.140 8.097 -0.639 296 1HB ARG 35 HB2 ARG 35 80.350 6.151 0.729 297 2HB ARG 35 HB1 ARG 35 80.477 7.632 1.684 298 1HG ARG 35 HG2 ARG 35 78.353 6.832 2.286 299 2HG ARG 35 HG1 ARG 35 77.976 7.981 1.002 300 1HD ARG 35 HD2 ARG 35 76.944 6.297 -0.085 301 2HD ARG 35 HD1 ARG 35 78.539 5.555 -0.311 302 HE ARG 35 HE ARG 35 76.580 4.781 1.736 303 1HH1 ARG 35 HH11 ARG 35 79.519 5.475 2.696 304 2HH1 ARG 35 HH12 ARG 35 80.152 3.868 2.815 305 1HH2 ARG 35 HH21 ARG 35 77.557 2.422 1.033 306 2HH2 ARG 35 HH22 ARG 35 79.046 2.144 1.868 307 H ASN 36 HN ASN 36 77.604 8.119 -1.086 308 HA ASN 36 HA ASN 36 77.089 5.856 -2.588 309 1HB ASN 36 HB2 ASN 36 76.078 8.538 -2.264 310 2HB ASN 36 HB1 ASN 36 75.916 8.045 -3.947 311 1HD2 ASN 36 HD22 ASN 36 73.864 5.927 -1.077 312 2HD2 ASN 36 HD21 ASN 36 75.233 6.822 -0.623 313 H GLN 37 HN GLN 37 79.073 8.599 -3.494 314 HA GLN 37 HA GLN 37 79.114 8.063 -6.329 315 1HB GLN 37 HB2 GLN 37 81.251 9.421 -4.668 316 2HB GLN 37 HB1 GLN 37 80.802 9.762 -6.339 317 1HG GLN 37 HG2 GLN 37 78.414 10.089 -4.977 318 2HG GLN 37 HG1 GLN 37 79.604 10.748 -3.854 319 1HE2 GLN 37 HE22 GLN 37 80.683 13.294 -6.239 320 2HE2 GLN 37 HE21 GLN 37 81.350 12.205 -5.119 321 H GLY 38 HN GLY 38 80.275 6.244 -3.768 322 1HA GLY 38 HA2 GLY 38 82.319 4.975 -5.543 323 2HA GLY 38 HA1 GLY 38 82.659 5.249 -3.834 324 H ASP 39 HN ASP 39 79.478 4.302 -5.008 325 HA ASP 39 HA ASP 39 79.868 1.660 -3.640 326 1HB ASP 39 HB2 ASP 39 77.651 3.682 -3.760 327 2HB ASP 39 HB1 ASP 39 77.249 1.987 -3.475 328 H LYS 40 HN LYS 40 80.522 0.642 -5.635 329 HA LYS 40 HA LYS 40 78.671 0.643 -7.936 330 1HB LYS 40 HB2 LYS 40 81.436 -0.043 -7.279 331 2HB LYS 40 HB1 LYS 40 80.673 -1.224 -8.342 332 1HG LYS 40 HG2 LYS 40 80.684 1.770 -8.832 333 2HG LYS 40 HG1 LYS 40 81.783 0.627 -9.608 334 1HD LYS 40 HD2 LYS 40 80.204 -0.036 -11.079 335 2HD LYS 40 HD1 LYS 40 78.997 -0.220 -9.806 336 1HE LYS 40 HE2 LYS 40 79.001 2.432 -9.846 337 2HE LYS 40 HE1 LYS 40 79.608 2.183 -11.495 338 1HZ LYS 40 HZ1 LYS 40 77.708 0.327 -11.379 339 2HZ LYS 40 HZ3 LYS 40 77.024 1.492 -10.353 340 3HZ LYS 40 HZ2 LYS 40 77.429 1.903 -11.951 341 H GLU 41 HN GLU 41 77.837 -0.507 -5.333 342 HA GLU 41 HA GLU 41 76.767 -3.051 -6.302 343 1HB GLU 41 HB2 GLU 41 77.926 -4.003 -4.021 344 2HB GLU 41 HB1 GLU 41 78.672 -4.152 -5.611 345 1HG GLU 41 HG2 GLU 41 80.062 -2.248 -5.251 346 2HG GLU 41 HG1 GLU 41 79.133 -1.746 -3.839 347 H ALA 42 HN ALA 42 77.489 -1.017 -3.473 348 HA ALA 42 HA ALA 42 75.074 -1.778 -2.020 349 1HB ALA 42 HB1 ALA 42 77.400 0.041 -1.782 350 2HB ALA 42 HB3 ALA 42 75.929 0.632 -1.010 351 3HB ALA 42 HB2 ALA 42 76.606 -0.925 -0.538 352 H GLU 43 HN GLU 43 75.852 0.290 -4.660 353 HA GLU 43 HA GLU 43 74.161 2.497 -4.533 354 1HB GLU 43 HB2 GLU 43 75.491 1.872 -6.501 355 2HB GLU 43 HB1 GLU 43 74.452 0.470 -6.769 356 1HG GLU 43 HG2 GLU 43 72.921 1.710 -7.844 357 2HG GLU 43 HG1 GLU 43 72.869 2.882 -6.527 358 H ALA 44 HN ALA 44 73.228 -0.747 -5.634 359 HA ALA 44 HA ALA 44 70.581 -0.288 -6.141 360 1HB ALA 44 HB1 ALA 44 72.291 -2.553 -5.418 361 2HB ALA 44 HB3 ALA 44 70.608 -2.809 -4.957 362 3HB ALA 44 HB2 ALA 44 71.020 -2.465 -6.637 363 H LYS 45 HN LYS 45 71.870 -1.334 -2.943 364 HA LYS 45 HA LYS 45 69.415 -1.225 -1.551 365 1HB LYS 45 HB2 LYS 45 71.421 -2.084 -0.523 366 2HB LYS 45 HB1 LYS 45 72.240 -0.524 -0.698 367 1HG LYS 45 HG2 LYS 45 70.462 0.498 0.759 368 2HG LYS 45 HG1 LYS 45 69.815 -1.121 1.030 369 1HD LYS 45 HD2 LYS 45 71.689 -1.814 2.247 370 2HD LYS 45 HD1 LYS 45 72.729 -0.582 1.534 371 1HE LYS 45 HE2 LYS 45 71.376 1.168 2.753 372 2HE LYS 45 HE1 LYS 45 70.544 -0.155 3.597 373 1HZ LYS 45 HZ3 LYS 45 73.488 -0.101 3.443 374 2HZ LYS 45 HZ2 LYS 45 72.685 0.809 4.632 375 3HZ LYS 45 HZ1 LYS 45 72.494 -0.879 4.575 376 H PHE 46 HN PHE 46 71.412 1.373 -2.781 377 HA PHE 46 HA PHE 46 70.196 3.465 -1.152 378 1HB PHE 46 HB2 PHE 46 71.764 3.585 -3.749 379 2HB PHE 46 HB1 PHE 46 71.483 4.929 -2.650 380 HD1 PHE 46 HD1 PHE 46 71.677 2.592 -0.297 381 HD2 PHE 46 HD2 PHE 46 74.237 4.228 -3.335 382 HE1 PHE 46 HE1 PHE 46 73.667 1.947 1.032 383 HE2 PHE 46 HE2 PHE 46 76.224 3.581 -2.006 384 HZ PHE 46 HZ PHE 46 75.938 2.442 0.176 385 H LYS 47 HN LYS 47 69.754 2.288 -4.517 386 HA LYS 47 HA LYS 47 67.449 4.136 -4.796 387 1HB LYS 47 HB2 LYS 47 67.349 3.033 -7.111 388 2HB LYS 47 HB1 LYS 47 68.810 3.944 -6.760 389 1HG LYS 47 HG2 LYS 47 69.474 1.884 -7.804 390 2HG LYS 47 HG1 LYS 47 69.911 1.757 -6.109 391 1HD LYS 47 HD2 LYS 47 68.619 -0.066 -5.887 392 2HD LYS 47 HD1 LYS 47 67.216 0.832 -6.454 393 1HE LYS 47 HE2 LYS 47 67.326 -0.717 -8.167 394 2HE LYS 47 HE1 LYS 47 68.480 0.462 -8.821 395 1HZ LYS 47 HZ1 LYS 47 69.408 -1.531 -6.870 396 2HZ LYS 47 HZ3 LYS 47 69.206 -2.004 -8.487 397 3HZ LYS 47 HZ2 LYS 47 70.277 -0.742 -8.100 398 H GLU 48 HN GLU 48 68.193 0.834 -4.089 399 HA GLU 48 HA GLU 48 65.817 -0.577 -4.572 400 1HB GLU 48 HB2 GLU 48 67.904 -0.506 -2.395 401 2HB GLU 48 HB1 GLU 48 66.538 -1.605 -2.244 402 1HG GLU 48 HG2 GLU 48 68.193 -1.501 -4.760 403 2HG GLU 48 HG1 GLU 48 68.679 -2.497 -3.387 404 H ILE 49 HN ILE 49 66.702 1.714 -2.093 405 HA ILE 49 HA ILE 49 64.419 1.567 -0.398 406 HB ILE 49 HB ILE 49 66.208 3.859 -1.226 407 1HG1 ILE 49 HG12 ILE 49 66.485 2.351 1.328 408 2HG1 ILE 49 HG11 ILE 49 67.031 1.568 -0.154 409 1HG2 ILE 49 HG23 ILE 49 64.062 4.502 -0.068 410 2HG2 ILE 49 HG22 ILE 49 64.612 3.562 1.319 411 3HG2 ILE 49 HG21 ILE 49 65.530 4.972 0.788 412 1HD1 ILE 49 HD11 ILE 49 68.398 3.608 -0.649 413 2HD1 ILE 49 HD13 ILE 49 67.959 4.233 0.937 414 3HD1 ILE 49 HD12 ILE 49 68.907 2.752 0.802 415 H LYS 50 HN LYS 50 65.171 3.405 -3.307 416 HA LYS 50 HA LYS 50 62.670 4.865 -3.462 417 1HB LYS 50 HB2 LYS 50 65.133 4.955 -4.659 418 2HB LYS 50 HB1 LYS 50 64.175 4.213 -5.941 419 1HG LYS 50 HG2 LYS 50 62.710 6.400 -4.740 420 2HG LYS 50 HG1 LYS 50 64.295 6.952 -5.282 421 1HD LYS 50 HD2 LYS 50 63.175 5.190 -7.265 422 2HD LYS 50 HD1 LYS 50 62.006 6.454 -6.879 423 1HE LYS 50 HE2 LYS 50 64.217 7.987 -7.040 424 2HE LYS 50 HE1 LYS 50 64.689 6.693 -8.159 425 1HZ LYS 50 HZ2 LYS 50 62.453 6.913 -9.181 426 2HZ LYS 50 HZ1 LYS 50 62.186 8.290 -8.224 427 3HZ LYS 50 HZ3 LYS 50 63.425 8.290 -9.382 428 H GLU 51 HN GLU 51 63.461 1.602 -3.908 429 HA GLU 51 HA GLU 51 61.372 1.046 -5.941 430 1HB GLU 51 HB2 GLU 51 63.641 -0.049 -5.852 431 2HB GLU 51 HB1 GLU 51 63.163 -0.784 -4.324 432 1HG GLU 51 HG2 GLU 51 62.621 -2.467 -5.861 433 2HG GLU 51 HG1 GLU 51 61.083 -1.628 -5.661 434 H ALA 52 HN ALA 52 62.134 0.432 -2.527 435 HA ALA 52 HA ALA 52 60.137 -1.189 -1.556 436 1HB ALA 52 HB3 ALA 52 61.958 0.221 -0.398 437 2HB ALA 52 HB2 ALA 52 60.795 1.546 -0.405 438 3HB ALA 52 HB1 ALA 52 60.438 0.064 0.482 439 H TYR 53 HN TYR 53 59.769 2.082 -2.796 440 HA TYR 53 HA TYR 53 57.125 2.690 -1.970 441 1HB TYR 53 HB2 TYR 53 58.667 3.303 -4.513 442 2HB TYR 53 HB1 TYR 53 57.185 4.132 -4.036 443 HD1 TYR 53 HD1 TYR 53 60.706 3.540 -3.207 444 HD2 TYR 53 HD2 TYR 53 57.150 5.678 -2.168 445 HE1 TYR 53 HE1 TYR 53 62.032 4.973 -1.722 446 HE2 TYR 53 HE2 TYR 53 58.470 7.135 -0.673 447 HH TYR 53 HH TYR 53 61.863 6.472 0.011 448 H GLU 54 HN GLU 54 58.320 0.877 -4.794 449 HA GLU 54 HA GLU 54 55.973 0.390 -6.208 450 1HB GLU 54 HB2 GLU 54 57.957 -1.770 -5.440 451 2HB GLU 54 HB1 GLU 54 57.042 -1.632 -6.943 452 1HG GLU 54 HG2 GLU 54 58.456 0.789 -6.638 453 2HG GLU 54 HG1 GLU 54 59.596 -0.510 -6.286 454 H VAL 55 HN VAL 55 56.868 -0.701 -2.990 455 HA VAL 55 HA VAL 55 54.407 -2.293 -3.029 456 HB VAL 55 HB VAL 55 55.850 -3.917 -2.364 457 1HG1 VAL 55 HG13 VAL 55 57.757 -2.308 -2.804 458 2HG1 VAL 55 HG12 VAL 55 57.738 -2.009 -1.064 459 3HG1 VAL 55 HG11 VAL 55 58.043 -3.632 -1.680 460 1HG2 VAL 55 HG21 VAL 55 54.536 -3.217 -0.259 461 2HG2 VAL 55 HG23 VAL 55 55.962 -4.226 -0.034 462 3HG2 VAL 55 HG22 VAL 55 56.053 -2.495 0.280 463 H LEU 56 HN LEU 56 56.237 -0.733 -0.379 464 HA LEU 56 HA LEU 56 54.128 -0.341 1.385 465 1HB LEU 56 HB2 LEU 56 55.507 1.681 2.131 466 2HB LEU 56 HB1 LEU 56 56.353 0.131 2.045 467 HG LEU 56 HG LEU 56 56.552 1.214 -0.532 468 1HD1 LEU 56 HD11 LEU 56 55.820 3.368 0.595 469 2HD1 LEU 56 HD13 LEU 56 57.325 3.299 1.511 470 3HD1 LEU 56 HD12 LEU 56 57.367 3.440 -0.248 471 1HD2 LEU 56 HD22 LEU 56 58.404 0.947 1.834 472 2HD2 LEU 56 HD21 LEU 56 58.319 -0.065 0.395 473 3HD2 LEU 56 HD23 LEU 56 58.978 1.567 0.287 474 H THR 57 HN THR 57 54.585 1.462 -1.605 475 HA THR 57 HA THR 57 52.695 3.551 -0.691 476 HB THR 57 HB THR 57 53.227 4.605 -2.796 477 HG1 THR 57 HG1 THR 57 54.841 3.066 -4.044 478 1HG2 THR 57 HG22 THR 57 55.481 3.324 -1.296 479 2HG2 THR 57 HG21 THR 57 55.852 4.194 -2.784 480 3HG2 THR 57 HG23 THR 57 55.064 5.032 -1.450 481 H ASP 58 HN ASP 58 52.083 0.546 -1.205 482 HA ASP 58 HA ASP 58 49.470 1.012 -2.494 483 1HB ASP 58 HB2 ASP 58 51.745 -0.098 -3.843 484 2HB ASP 58 HB1 ASP 58 50.555 -1.379 -3.613 485 H SER 59 HN SER 59 48.026 0.034 -1.301 486 HA SER 59 HA SER 59 48.566 -1.440 0.977 487 1HB SER 59 HB2 SER 59 46.304 -0.689 -0.662 488 2HB SER 59 HB1 SER 59 46.047 -2.274 0.060 489 HG SER 59 HG SER 59 45.526 -0.201 1.287 490 H GLN 60 HN GLN 60 47.917 -2.690 -2.291 491 HA GLN 60 HA GLN 60 47.662 -5.447 -1.717 492 1HB GLN 60 HB2 GLN 60 47.665 -3.846 -3.907 493 2HB GLN 60 HB1 GLN 60 49.231 -4.631 -4.104 494 1HG GLN 60 HG2 GLN 60 47.167 -6.531 -3.321 495 2HG GLN 60 HG1 GLN 60 46.756 -5.700 -4.822 496 1HE2 GLN 60 HE22 GLN 60 49.975 -6.824 -6.310 497 2HE2 GLN 60 HE21 GLN 60 49.250 -5.323 -5.996 498 H LYS 61 HN LYS 61 50.601 -3.512 -2.213 499 HA LYS 61 HA LYS 61 52.444 -5.763 -1.986 500 1HB LYS 61 HB2 LYS 61 53.002 -2.834 -1.662 501 2HB LYS 61 HB1 LYS 61 54.055 -4.092 -2.298 502 1HG LYS 61 HG2 LYS 61 51.651 -2.843 -3.602 503 2HG LYS 61 HG1 LYS 61 53.290 -2.967 -4.228 504 1HD LYS 61 HD2 LYS 61 51.466 -5.344 -3.744 505 2HD LYS 61 HD1 LYS 61 51.714 -4.581 -5.314 506 1HE LYS 61 HE2 LYS 61 54.206 -5.306 -3.881 507 2HE LYS 61 HE1 LYS 61 53.218 -6.675 -4.429 508 1HZ LYS 61 HZ3 LYS 61 52.994 -5.372 -6.584 509 2HZ LYS 61 HZ2 LYS 61 54.298 -4.433 -6.032 510 3HZ LYS 61 HZ1 LYS 61 54.495 -6.101 -6.288 511 H ARG 62 HN ARG 62 51.941 -2.906 0.126 512 HA ARG 62 HA ARG 62 53.537 -3.729 2.262 513 1HB ARG 62 HB2 ARG 62 51.926 -2.328 3.621 514 2HB ARG 62 HB1 ARG 62 52.462 -1.544 2.133 515 1HG ARG 62 HG2 ARG 62 50.420 -1.721 1.136 516 2HG ARG 62 HG1 ARG 62 50.058 -3.263 1.909 517 1HD ARG 62 HD2 ARG 62 50.212 -1.301 3.978 518 2HD ARG 62 HD1 ARG 62 49.169 -0.652 2.698 519 HE ARG 62 HE ARG 62 47.883 -2.800 2.814 520 1HH1 ARG 62 HH11 ARG 62 50.235 -3.931 4.589 521 2HH1 ARG 62 HH12 ARG 62 49.397 -4.082 6.098 522 1HH2 ARG 62 HH21 ARG 62 46.703 -2.140 5.097 523 2HH2 ARG 62 HH22 ARG 62 47.396 -3.068 6.386 524 H ALA 63 HN ALA 63 50.459 -4.972 1.252 525 HA ALA 63 HA ALA 63 50.088 -6.515 3.753 526 1HB ALA 63 HB2 ALA 63 48.583 -5.905 1.236 527 2HB ALA 63 HB1 ALA 63 48.181 -7.405 2.072 528 3HB ALA 63 HB3 ALA 63 48.025 -5.860 2.909 529 H ALA 64 HN ALA 64 51.382 -6.789 0.557 530 HA ALA 64 HA ALA 64 51.538 -9.743 0.632 531 1HB ALA 64 HB1 ALA 64 52.134 -7.524 -1.314 532 2HB ALA 64 HB3 ALA 64 52.782 -9.138 -1.603 533 3HB ALA 64 HB2 ALA 64 51.038 -8.894 -1.501 534 H TYR 65 HN TYR 65 53.876 -7.009 0.275 535 HA TYR 65 HA TYR 65 56.192 -8.636 0.684 536 1HB TYR 65 HB2 TYR 65 55.421 -5.753 0.753 537 2HB TYR 65 HB1 TYR 65 57.011 -6.191 1.394 538 HD1 TYR 65 HD1 TYR 65 55.260 -8.050 -1.284 539 HD2 TYR 65 HD2 TYR 65 58.352 -5.211 -0.375 540 HE1 TYR 65 HE1 TYR 65 56.142 -8.273 -3.592 541 HE2 TYR 65 HE2 TYR 65 59.235 -5.434 -2.681 542 HH TYR 65 HH TYR 65 59.044 -7.513 -4.530 543 H ASP 66 HN ASP 66 53.956 -7.115 2.973 544 HA ASP 66 HA ASP 66 55.425 -6.990 5.335 545 1HB ASP 66 HB2 ASP 66 53.257 -7.719 6.420 546 2HB ASP 66 HB1 ASP 66 53.066 -6.439 5.229 547 H GLN 67 HN GLN 67 54.167 -9.897 3.725 548 HA GLN 67 HA GLN 67 56.004 -11.545 5.419 549 1HB GLN 67 HB2 GLN 67 53.073 -11.494 5.307 550 2HB GLN 67 HB1 GLN 67 53.735 -13.103 5.022 551 1HG GLN 67 HG2 GLN 67 54.476 -11.323 7.361 552 2HG GLN 67 HG1 GLN 67 53.333 -12.663 7.441 553 1HE2 GLN 67 HE22 GLN 67 57.151 -13.516 7.992 554 2HE2 GLN 67 HE21 GLN 67 56.433 -12.001 8.253 555 H TYR 68 HN TYR 68 55.955 -10.535 2.548 556 HA TYR 68 HA TYR 68 56.393 -11.409 0.391 557 1HB TYR 68 HB2 TYR 68 57.177 -13.636 2.292 558 2HB TYR 68 HB1 TYR 68 57.507 -13.708 0.558 559 HD1 TYR 68 HD2 TYR 68 57.882 -11.318 3.438 560 HD2 TYR 68 HD1 TYR 68 59.553 -12.901 -0.188 561 HE1 TYR 68 HE2 TYR 68 59.910 -9.930 3.766 562 HE2 TYR 68 HE1 TYR 68 61.582 -11.514 0.140 563 HH TYR 68 HH TYR 68 62.220 -9.864 3.093 564 H GLY 69 HN GLY 69 53.676 -11.692 1.503 565 1HA GLY 69 HA2 GLY 69 51.746 -12.619 0.402 566 2HA GLY 69 HA1 GLY 69 52.766 -13.912 -0.239 567 H HIS 70 HN HIS 70 50.316 -14.440 1.104 568 HA HIS 70 HA HIS 70 50.758 -15.081 3.885 569 1HB HIS 70 HB2 HIS 70 48.595 -16.199 3.640 570 2HB HIS 70 HB1 HIS 70 48.563 -14.685 2.730 571 HD1 HIS 70 HD1 HIS 70 47.980 -18.251 2.354 572 HD2 HIS 70 HD2 HIS 70 49.168 -15.152 -0.171 573 HE1 HIS 70 HE1 HIS 70 47.623 -19.077 -0.013 574 H ALA 71 HN ALA 71 52.089 -16.420 1.131 575 HA ALA 71 HA ALA 71 51.946 -19.236 1.554 576 1HB ALA 71 HB3 ALA 71 53.995 -17.373 0.324 577 2HB ALA 71 HB2 ALA 71 54.121 -19.129 0.216 578 3HB ALA 71 HB1 ALA 71 52.748 -18.296 -0.512 579 H ALA 72 HN ALA 72 54.236 -16.782 2.770 580 HA ALA 72 HA ALA 72 56.101 -18.464 4.056 581 1HB ALA 72 HB3 ALA 72 55.048 -15.691 4.359 582 2HB ALA 72 HB2 ALA 72 56.015 -16.323 5.690 583 3HB ALA 72 HB1 ALA 72 56.699 -16.236 4.067 584 H PHE 73 HN PHE 73 52.777 -17.867 4.837 585 HA PHE 73 HA PHE 73 53.150 -19.055 7.564 586 1HB PHE 73 HB2 PHE 73 51.542 -16.943 6.390 587 2HB PHE 73 HB1 PHE 73 50.514 -18.125 7.206 588 HD1 PHE 73 HD2 PHE 73 53.229 -15.668 7.630 589 HD2 PHE 73 HD1 PHE 73 50.696 -18.521 9.606 590 HE1 PHE 73 HE2 PHE 73 53.892 -14.734 9.829 591 HE2 PHE 73 HE1 PHE 73 51.360 -17.588 11.804 592 HZ PHE 73 HZ PHE 73 52.957 -15.693 11.917 593 H GLU 74 HN GLU 74 52.299 -19.916 4.437 594 HA GLU 74 HA GLU 74 51.020 -21.695 3.529 595 1HB GLU 74 HB2 GLU 74 51.715 -22.956 6.192 596 2HB GLU 74 HB1 GLU 74 51.586 -23.749 4.621 597 1HG GLU 74 HG2 GLU 74 53.476 -21.670 4.301 598 2HG GLU 74 HG1 GLU 74 53.884 -22.478 5.815 599 H GLN 75 HN GLN 75 49.429 -19.740 4.972 600 HA GLN 75 HA GLN 75 47.585 -21.034 6.789 601 1HB GLN 75 HB2 GLN 75 47.864 -18.469 5.292 602 2HB GLN 75 HB1 GLN 75 46.249 -18.880 5.871 603 1HG GLN 75 HG2 GLN 75 47.869 -19.484 8.039 604 2HG GLN 75 HG1 GLN 75 48.601 -18.019 7.386 605 1HE2 GLN 75 HE22 GLN 75 44.651 -17.760 8.533 606 2HE2 GLN 75 HE21 GLN 75 45.210 -19.202 7.834 607 H GLY 76 HN GLY 76 46.343 -22.735 6.045 608 1HA GLY 76 HA2 GLY 76 44.705 -22.258 3.613 609 2HA GLY 76 HA1 GLY 76 45.667 -23.734 3.689 610 H GLY 77 HN GLY 77 45.339 -24.318 6.449 611 1HA GLY 77 HA2 GLY 77 42.592 -25.376 6.370 612 2HA GLY 77 HA1 GLY 77 43.827 -25.789 7.560 No H/Q in entry = 612 Start of MODEL 18 1 1H ALA 1 HT1 ALA 1 71.314 -12.112 3.868 2 2H ALA 1 HT3 ALA 1 71.695 -13.432 4.863 3 3H ALA 1 HT2 ALA 1 72.154 -13.442 3.228 4 HA ALA 1 HA ALA 1 70.299 -14.679 2.954 5 1HB ALA 1 HB2 ALA 1 69.379 -13.281 5.488 6 2HB ALA 1 HB1 ALA 1 68.497 -14.584 4.693 7 3HB ALA 1 HB3 ALA 1 70.090 -14.891 5.384 8 H LYS 2 HN LYS 2 70.391 -12.926 1.154 9 HA LYS 2 HA LYS 2 69.267 -11.329 -0.185 10 1HB LYS 2 HB2 LYS 2 67.042 -12.647 1.402 11 2HB LYS 2 HB1 LYS 2 66.770 -11.643 -0.023 12 1HG LYS 2 HG2 LYS 2 67.104 -13.460 -1.307 13 2HG LYS 2 HG1 LYS 2 68.777 -13.496 -0.747 14 1HD LYS 2 HD2 LYS 2 68.375 -15.372 0.425 15 2HD LYS 2 HD1 LYS 2 67.082 -14.565 1.313 16 1HE LYS 2 HE2 LYS 2 66.515 -15.473 -1.491 17 2HE LYS 2 HE1 LYS 2 66.530 -16.680 -0.191 18 1HZ LYS 2 HZ1 LYS 2 65.111 -15.093 1.099 19 2HZ LYS 2 HZ3 LYS 2 64.925 -14.188 -0.323 20 3HZ LYS 2 HZ2 LYS 2 64.351 -15.785 -0.253 21 H GLN 3 HN GLN 3 67.184 -9.633 0.221 22 HA GLN 3 HA GLN 3 67.856 -8.158 2.749 23 1HB GLN 3 HB2 GLN 3 67.554 -7.245 -0.119 24 2HB GLN 3 HB1 GLN 3 67.453 -6.112 1.228 25 1HG GLN 3 HG2 GLN 3 69.701 -7.136 1.999 26 2HG GLN 3 HG1 GLN 3 69.803 -7.791 0.364 27 1HE2 GLN 3 HE22 GLN 3 69.778 -4.348 -1.039 28 2HE2 GLN 3 HE21 GLN 3 68.848 -5.754 -1.236 29 H ASP 4 HN ASP 4 66.032 -6.163 2.645 30 HA ASP 4 HA ASP 4 63.360 -7.177 1.927 31 1HB ASP 4 HB2 ASP 4 63.203 -6.434 4.690 32 2HB ASP 4 HB1 ASP 4 62.834 -7.996 3.970 33 H TYR 5 HN TYR 5 62.925 -5.429 0.798 34 HA TYR 5 HA TYR 5 63.509 -2.799 0.922 35 1HB TYR 5 HB2 TYR 5 60.669 -2.863 0.744 36 2HB TYR 5 HB1 TYR 5 61.853 -2.752 -0.550 37 HD1 TYR 5 HD1 TYR 5 60.394 -5.337 1.738 38 HD2 TYR 5 HD2 TYR 5 61.923 -4.382 -2.153 39 HE1 TYR 5 HE1 TYR 5 59.847 -7.626 0.969 40 HE2 TYR 5 HE2 TYR 5 61.368 -6.673 -2.936 41 HH TYR 5 HH TYR 5 60.972 -9.159 -1.197 42 H TYR 6 HN TYR 6 60.639 -3.892 2.781 43 HA TYR 6 HA TYR 6 60.244 -1.630 4.336 44 1HB TYR 6 HB2 TYR 6 59.991 -4.578 4.841 45 2HB TYR 6 HB1 TYR 6 59.507 -3.403 6.070 46 HD1 TYR 6 HD2 TYR 6 58.011 -1.430 5.257 47 HD2 TYR 6 HD1 TYR 6 58.475 -5.132 3.130 48 HE1 TYR 6 HE2 TYR 6 55.898 -0.994 4.040 49 HE2 TYR 6 HE1 TYR 6 56.358 -4.694 1.910 50 HH TYR 6 HH TYR 6 54.907 -2.932 1.345 51 H GLU 7 HN GLU 7 62.738 -4.068 4.583 52 HA GLU 7 HA GLU 7 63.887 -2.881 7.053 53 1HB GLU 7 HB2 GLU 7 63.762 -5.362 6.587 54 2HB GLU 7 HB1 GLU 7 64.870 -5.114 5.237 55 1HG GLU 7 HG2 GLU 7 66.660 -4.563 6.632 56 2HG GLU 7 HG1 GLU 7 65.603 -4.088 7.963 57 H ILE 8 HN ILE 8 64.347 -3.031 3.573 58 HA ILE 8 HA ILE 8 66.947 -2.104 3.200 59 HB ILE 8 HB ILE 8 64.361 -1.567 1.786 60 1HG1 ILE 8 HG12 ILE 8 65.401 -3.911 1.926 61 2HG1 ILE 8 HG11 ILE 8 65.111 -3.314 0.294 62 1HG2 ILE 8 HG22 ILE 8 67.134 -0.625 1.176 63 2HG2 ILE 8 HG21 ILE 8 66.049 -1.039 -0.152 64 3HG2 ILE 8 HG23 ILE 8 65.599 0.224 0.993 65 1HD1 ILE 8 HD13 ILE 8 67.688 -2.407 1.063 66 2HD1 ILE 8 HD12 ILE 8 67.589 -4.115 1.485 67 3HD1 ILE 8 HD11 ILE 8 67.282 -3.598 -0.172 68 H LEU 9 HN LEU 9 63.974 -0.238 3.637 69 HA LEU 9 HA LEU 9 65.341 2.369 3.800 70 1HB LEU 9 HB2 LEU 9 62.521 1.536 4.539 71 2HB LEU 9 HB1 LEU 9 63.057 3.142 4.044 72 HG LEU 9 HG LEU 9 63.823 1.199 2.064 73 1HD1 LEU 9 HD11 LEU 9 61.338 0.618 3.340 74 2HD1 LEU 9 HD13 LEU 9 60.986 1.259 1.736 75 3HD1 LEU 9 HD12 LEU 9 62.034 -0.148 1.912 76 1HD2 LEU 9 HD23 LEU 9 63.509 3.686 1.811 77 2HD2 LEU 9 HD22 LEU 9 62.656 2.740 0.591 78 3HD2 LEU 9 HD21 LEU 9 61.770 3.430 1.951 79 H GLY 10 HN GLY 10 64.478 -0.231 5.912 80 1HA GLY 10 HA2 GLY 10 65.358 -0.444 8.147 81 2HA GLY 10 HA1 GLY 10 65.483 1.316 8.234 82 H VAL 11 HN VAL 11 62.590 0.033 6.868 83 HA VAL 11 HA VAL 11 61.110 0.916 9.317 84 HB VAL 11 HB VAL 11 59.455 0.300 7.034 85 1HG1 VAL 11 HG11 VAL 11 60.172 2.803 8.563 86 2HG1 VAL 11 HG13 VAL 11 58.962 2.774 7.279 87 3HG1 VAL 11 HG12 VAL 11 58.726 1.806 8.735 88 1HG2 VAL 11 HG23 VAL 11 61.909 1.939 6.499 89 2HG2 VAL 11 HG22 VAL 11 61.121 0.738 5.473 90 3HG2 VAL 11 HG21 VAL 11 60.388 2.324 5.698 91 H SER 12 HN SER 12 58.873 -0.318 9.413 92 HA SER 12 HA SER 12 59.487 -3.156 9.836 93 1HB SER 12 HB2 SER 12 57.372 -3.133 10.984 94 2HB SER 12 HB1 SER 12 58.157 -1.601 11.357 95 HG SER 12 HG SER 12 56.326 -0.832 10.628 96 H LYS 13 HN LYS 13 58.329 -4.880 8.766 97 HA LYS 13 HA LYS 13 57.984 -4.666 6.003 98 1HB LYS 13 HB2 LYS 13 56.880 -6.789 6.180 99 2HB LYS 13 HB1 LYS 13 58.171 -6.714 7.379 100 1HG LYS 13 HG2 LYS 13 55.797 -5.622 8.555 101 2HG LYS 13 HG1 LYS 13 55.388 -7.177 7.830 102 1HD LYS 13 HD2 LYS 13 57.656 -6.660 9.777 103 2HD LYS 13 HD1 LYS 13 56.152 -7.507 10.137 104 1HE LYS 13 HE2 LYS 13 56.871 -9.438 9.152 105 2HE LYS 13 HE1 LYS 13 57.615 -8.569 7.794 106 1HZ LYS 13 HZ1 LYS 13 59.246 -7.736 9.582 107 2HZ LYS 13 HZ3 LYS 13 58.707 -9.061 10.493 108 3HZ LYS 13 HZ2 LYS 13 59.444 -9.312 8.983 109 H THR 14 HN THR 14 55.904 -3.574 8.517 110 HA THR 14 HA THR 14 53.716 -3.081 6.533 111 HB THR 14 HB THR 14 52.215 -3.349 8.353 112 HG1 THR 14 HG1 THR 14 54.506 -2.802 9.897 113 1HG2 THR 14 HG21 THR 14 54.075 -5.330 7.787 114 2HG2 THR 14 HG23 THR 14 54.099 -5.243 9.549 115 3HG2 THR 14 HG22 THR 14 52.584 -5.555 8.702 116 H ALA 15 HN ALA 15 56.299 -1.549 7.633 117 HA ALA 15 HA ALA 15 55.947 0.741 9.012 118 1HB ALA 15 HB1 ALA 15 57.188 0.216 6.345 119 2HB ALA 15 HB3 ALA 15 57.371 1.773 7.153 120 3HB ALA 15 HB2 ALA 15 57.953 0.305 7.931 121 H GLU 16 HN GLU 16 56.027 2.128 6.010 122 HA GLU 16 HA GLU 16 53.413 2.610 5.180 123 1HB GLU 16 HB2 GLU 16 54.058 3.670 7.797 124 2HB GLU 16 HB1 GLU 16 53.659 4.989 6.689 125 1HG GLU 16 HG2 GLU 16 51.571 3.897 6.079 126 2HG GLU 16 HG1 GLU 16 51.974 2.503 7.080 127 H GLU 17 HN GLU 17 53.427 4.125 3.512 128 HA GLU 17 HA GLU 17 55.747 4.812 2.149 129 1HB GLU 17 HB2 GLU 17 54.314 6.098 0.802 130 2HB GLU 17 HB1 GLU 17 53.209 4.964 1.577 131 1HG GLU 17 HG2 GLU 17 52.553 6.628 3.214 132 2HG GLU 17 HG1 GLU 17 53.782 7.750 2.630 133 H ARG 18 HN ARG 18 54.439 6.469 4.958 134 HA ARG 18 HA ARG 18 56.064 8.882 4.471 135 1HB ARG 18 HB2 ARG 18 55.060 9.484 6.744 136 2HB ARG 18 HB1 ARG 18 53.900 9.180 5.450 137 1HG ARG 18 HG2 ARG 18 53.042 7.377 6.510 138 2HG ARG 18 HG1 ARG 18 54.644 6.736 6.870 139 1HD ARG 18 HD2 ARG 18 54.833 8.044 8.864 140 2HD ARG 18 HD1 ARG 18 53.440 9.050 8.418 141 HE ARG 18 HE ARG 18 52.655 6.290 8.467 142 1HH1 ARG 18 HH21 ARG 18 54.054 8.421 10.731 143 2HH1 ARG 18 HH22 ARG 18 52.886 8.110 11.972 144 1HH2 ARG 18 HH11 ARG 18 50.901 6.094 9.965 145 2HH2 ARG 18 HH12 ARG 18 51.099 6.794 11.537 146 H GLU 19 HN GLU 19 56.393 5.920 6.234 147 HA GLU 19 HA GLU 19 58.698 6.992 7.776 148 1HB GLU 19 HB2 GLU 19 58.261 4.196 8.238 149 2HB GLU 19 HB1 GLU 19 57.970 5.527 9.347 150 1HG GLU 19 HG2 GLU 19 55.723 5.836 8.137 151 2HG GLU 19 HG1 GLU 19 56.031 4.258 7.407 152 H ILE 20 HN ILE 20 57.829 5.198 4.988 153 HA ILE 20 HA ILE 20 60.461 3.881 4.719 154 HB ILE 20 HB ILE 20 57.792 3.490 3.824 155 1HG1 ILE 20 HG12 ILE 20 59.352 1.592 2.552 156 2HG1 ILE 20 HG11 ILE 20 60.373 2.111 3.888 157 1HG2 ILE 20 HG21 ILE 20 59.712 4.146 1.591 158 2HG2 ILE 20 HG23 ILE 20 58.355 3.050 1.353 159 3HG2 ILE 20 HG22 ILE 20 58.063 4.723 1.817 160 1HD1 ILE 20 HD11 ILE 20 57.467 1.320 4.219 161 2HD1 ILE 20 HD13 ILE 20 58.814 0.206 4.457 162 3HD1 ILE 20 HD12 ILE 20 58.643 1.620 5.499 163 H ARG 21 HN ARG 21 58.505 6.224 2.823 164 HA ARG 21 HA ARG 21 60.561 7.101 1.074 165 1HB ARG 21 HB2 ARG 21 59.120 9.028 0.793 166 2HB ARG 21 HB1 ARG 21 58.052 7.669 1.143 167 1HG ARG 21 HG2 ARG 21 57.245 9.309 2.606 168 2HG ARG 21 HG1 ARG 21 58.356 8.408 3.638 169 1HD ARG 21 HD2 ARG 21 59.670 10.233 3.924 170 2HD ARG 21 HD1 ARG 21 59.743 10.515 2.175 171 HE ARG 21 HE ARG 21 57.457 11.582 2.404 172 1HH1 ARG 21 HH21 ARG 21 56.441 11.182 4.972 173 2HH1 ARG 21 HH22 ARG 21 57.075 12.466 5.947 174 1HH2 ARG 21 HH11 ARG 21 59.623 13.250 3.728 175 2HH2 ARG 21 HH12 ARG 21 58.879 13.633 5.245 176 H LYS 22 HN LYS 22 59.893 7.630 4.422 177 HA LYS 22 HA LYS 22 61.670 9.881 4.870 178 1HB LYS 22 HB2 LYS 22 59.780 9.612 6.287 179 2HB LYS 22 HB1 LYS 22 60.083 7.888 6.498 180 1HG LYS 22 HG2 LYS 22 60.709 9.401 8.476 181 2HG LYS 22 HG1 LYS 22 61.950 8.278 7.923 182 1HD LYS 22 HD2 LYS 22 63.106 10.323 8.156 183 2HD LYS 22 HD1 LYS 22 62.772 10.238 6.430 184 1HE LYS 22 HE2 LYS 22 61.019 11.821 6.564 185 2HE LYS 22 HE1 LYS 22 60.855 11.617 8.320 186 1HZ LYS 22 HZ2 LYS 22 63.428 12.465 7.163 187 2HZ LYS 22 HZ1 LYS 22 62.203 13.615 7.422 188 3HZ LYS 22 HZ3 LYS 22 62.820 12.726 8.727 189 H ALA 23 HN ALA 23 61.811 6.382 5.626 190 HA ALA 23 HA ALA 23 64.275 6.271 6.965 191 1HB ALA 23 HB1 ALA 23 62.417 4.533 5.619 192 2HB ALA 23 HB3 ALA 23 64.064 4.041 5.229 193 3HB ALA 23 HB2 ALA 23 63.548 4.135 6.913 194 H TYR 24 HN TYR 24 63.634 6.178 3.474 195 HA TYR 24 HA TYR 24 66.401 5.925 2.675 196 1HB TYR 24 HB2 TYR 24 64.403 5.272 1.332 197 2HB TYR 24 HB1 TYR 24 63.920 6.962 1.247 198 HD1 TYR 24 HD2 TYR 24 67.300 5.370 0.945 199 HD2 TYR 24 HD1 TYR 24 64.216 7.674 -0.961 200 HE1 TYR 24 HE2 TYR 24 68.775 5.724 -1.017 201 HE2 TYR 24 HE1 TYR 24 65.692 8.027 -2.922 202 HH TYR 24 HH TYR 24 68.116 8.030 -3.416 203 H LYS 25 HN LYS 25 64.038 8.552 2.822 204 HA LYS 25 HA LYS 25 65.488 10.768 1.992 205 1HB LYS 25 HB2 LYS 25 63.210 10.039 3.571 206 2HB LYS 25 HB1 LYS 25 64.033 11.386 4.354 207 1HG LYS 25 HG2 LYS 25 63.332 12.833 2.769 208 2HG LYS 25 HG1 LYS 25 63.901 11.772 1.476 209 1HD LYS 25 HD2 LYS 25 61.863 10.759 1.218 210 2HD LYS 25 HD1 LYS 25 61.464 10.896 2.931 211 1HE LYS 25 HE2 LYS 25 60.003 12.393 1.640 212 2HE LYS 25 HE1 LYS 25 61.133 13.372 2.596 213 1HZ LYS 25 HZ2 LYS 25 61.600 12.511 -0.210 214 2HZ LYS 25 HZ1 LYS 25 61.057 14.056 0.244 215 3HZ LYS 25 HZ3 LYS 25 62.598 13.527 0.715 216 H ARG 26 HN ARG 26 65.401 9.381 5.284 217 HA ARG 26 HA ARG 26 67.146 11.205 6.554 218 1HB ARG 26 HB2 ARG 26 66.519 8.275 6.975 219 2HB ARG 26 HB1 ARG 26 67.433 9.240 8.136 220 1HG ARG 26 HG2 ARG 26 64.684 10.007 7.123 221 2HG ARG 26 HG1 ARG 26 64.958 9.118 8.621 222 1HD ARG 26 HD2 ARG 26 66.719 11.377 8.616 223 2HD ARG 26 HD1 ARG 26 65.082 11.944 8.232 224 HE ARG 26 HE ARG 26 64.487 10.302 10.255 225 1HH1 ARG 26 HH11 ARG 26 66.396 9.754 11.928 226 2HH1 ARG 26 HH12 ARG 26 66.934 11.195 12.725 227 1HH2 ARG 26 HH21 ARG 26 65.515 13.335 10.390 228 2HH2 ARG 26 HH22 ARG 26 66.429 13.222 11.857 229 H LEU 27 HN LEU 27 67.971 7.998 5.153 230 HA LEU 27 HA LEU 27 70.835 8.444 5.531 231 1HB LEU 27 HB2 LEU 27 71.006 6.220 4.761 232 2HB LEU 27 HB1 LEU 27 69.423 6.254 5.539 233 HG LEU 27 HG LEU 27 68.627 6.941 3.104 234 1HD1 LEU 27 HD13 LEU 27 71.347 5.735 2.756 235 2HD1 LEU 27 HD12 LEU 27 70.096 5.370 1.567 236 3HD1 LEU 27 HD11 LEU 27 70.582 7.042 1.852 237 1HD2 LEU 27 HD21 LEU 27 68.241 4.803 4.586 238 2HD2 LEU 27 HD23 LEU 27 67.881 4.738 2.861 239 3HD2 LEU 27 HD22 LEU 27 69.389 4.058 3.473 240 H ALA 28 HN ALA 28 68.491 8.710 2.949 241 HA ALA 28 HA ALA 28 70.402 9.072 0.808 242 1HB ALA 28 HB2 ALA 28 68.054 8.203 0.656 243 2HB ALA 28 HB1 ALA 28 67.472 9.817 1.062 244 3HB ALA 28 HB3 ALA 28 68.356 9.551 -0.441 245 H MET 29 HN MET 29 68.365 11.296 2.758 246 HA MET 29 HA MET 29 69.254 13.689 1.451 247 1HB MET 29 HB2 MET 29 68.313 14.788 3.370 248 2HB MET 29 HB1 MET 29 67.346 13.332 3.143 249 1HG MET 29 HG2 MET 29 68.855 12.178 4.807 250 2HG MET 29 HG1 MET 29 69.591 13.745 5.134 251 1HE MET 29 HE1 MET 29 69.329 14.681 6.778 252 2HE MET 29 HE3 MET 29 67.884 15.613 7.195 253 3HE MET 29 HE2 MET 29 68.280 14.147 8.089 254 H LYS 30 HN LYS 30 70.666 11.515 3.753 255 HA LYS 30 HA LYS 30 72.918 13.314 4.417 256 1HB LYS 30 HB2 LYS 30 71.743 10.744 5.304 257 2HB LYS 30 HB1 LYS 30 73.501 10.821 5.403 258 1HG LYS 30 HG2 LYS 30 73.467 12.355 7.083 259 2HG LYS 30 HG1 LYS 30 72.107 13.234 6.383 260 1HD LYS 30 HD2 LYS 30 70.706 12.235 7.830 261 2HD LYS 30 HD1 LYS 30 71.175 10.654 7.202 262 1HE LYS 30 HE2 LYS 30 72.817 12.159 9.265 263 2HE LYS 30 HE1 LYS 30 71.597 10.941 9.687 264 1HZ LYS 30 HZ3 LYS 30 73.840 10.494 7.789 265 2HZ LYS 30 HZ2 LYS 30 73.843 9.984 9.410 266 3HZ LYS 30 HZ1 LYS 30 72.716 9.338 8.314 267 H TYR 31 HN TYR 31 72.056 10.826 2.151 268 HA TYR 31 HA TYR 31 74.905 10.429 1.353 269 1HB TYR 31 HB2 TYR 31 72.369 8.904 1.246 270 2HB TYR 31 HB1 TYR 31 73.419 8.722 -0.162 271 HD1 TYR 31 HD2 TYR 31 74.306 9.340 3.410 272 HD2 TYR 31 HD1 TYR 31 74.444 6.611 0.099 273 HE1 TYR 31 HE2 TYR 31 75.792 7.844 4.712 274 HE2 TYR 31 HE1 TYR 31 75.933 5.113 1.397 275 HH TYR 31 HH TYR 31 77.017 5.990 4.680 276 H HIS 32 HN HIS 32 72.632 12.551 0.720 277 HA HIS 32 HA HIS 32 72.167 12.697 -2.054 278 1HB HIS 32 HB2 HIS 32 71.610 14.986 -1.401 279 2HB HIS 32 HB1 HIS 32 71.180 13.898 -0.097 280 HD1 HIS 32 HD1 HIS 32 72.343 17.029 -0.028 281 HD2 HIS 32 HD2 HIS 32 74.168 13.512 1.261 282 HE1 HIS 32 HE1 HIS 32 74.075 17.713 1.687 283 HA PRO 33 HA PRO 33 75.800 14.345 -3.866 284 1HB PRO 33 HB2 PRO 33 76.005 17.082 -3.911 285 2HB PRO 33 HB1 PRO 33 74.951 16.147 -4.993 286 1HG PRO 33 HG2 PRO 33 74.274 17.645 -2.526 287 2HG PRO 33 HG1 PRO 33 73.353 17.456 -4.024 288 1HD PRO 33 HD2 PRO 33 72.832 16.127 -1.737 289 2HD PRO 33 HD1 PRO 33 72.412 15.504 -3.345 290 H ASP 34 HN ASP 34 76.203 13.567 -1.327 291 HA ASP 34 HA ASP 34 78.216 15.449 -0.161 292 1HB ASP 34 HB2 ASP 34 77.187 14.844 1.784 293 2HB ASP 34 HB1 ASP 34 76.095 13.804 0.877 294 H ARG 35 HN ARG 35 77.548 12.108 -1.102 295 HA ARG 35 HA ARG 35 80.439 11.694 -1.705 296 1HB ARG 35 HB2 ARG 35 80.200 9.458 -0.623 297 2HB ARG 35 HB1 ARG 35 79.903 10.770 0.519 298 1HG ARG 35 HG2 ARG 35 78.095 9.303 0.903 299 2HG ARG 35 HG1 ARG 35 77.410 10.516 -0.178 300 1HD ARG 35 HD2 ARG 35 76.881 8.868 -1.620 301 2HD ARG 35 HD1 ARG 35 78.612 8.534 -1.821 302 HE ARG 35 HE ARG 35 76.870 7.226 0.220 303 1HH1 ARG 35 HH21 ARG 35 79.030 6.660 1.616 304 2HH1 ARG 35 HH22 ARG 35 80.006 5.527 0.743 305 1HH2 ARG 35 HH11 ARG 35 78.456 6.140 -2.300 306 2HH2 ARG 35 HH12 ARG 35 79.683 5.233 -1.480 307 H ASN 36 HN ASN 36 77.024 10.941 -2.272 308 HA ASN 36 HA ASN 36 77.050 8.809 -4.022 309 1HB ASN 36 HB2 ASN 36 75.499 11.278 -3.585 310 2HB ASN 36 HB1 ASN 36 75.295 10.567 -5.186 311 1HD2 ASN 36 HD22 ASN 36 72.833 8.920 -2.920 312 2HD2 ASN 36 HD21 ASN 36 73.094 10.504 -3.470 313 H GLN 37 HN GLN 37 78.423 11.979 -4.581 314 HA GLN 37 HA GLN 37 78.492 11.938 -7.443 315 1HB GLN 37 HB2 GLN 37 80.597 13.115 -5.615 316 2HB GLN 37 HB1 GLN 37 80.037 13.740 -7.166 317 1HG GLN 37 HG2 GLN 37 77.718 13.584 -5.616 318 2HG GLN 37 HG1 GLN 37 78.946 14.183 -4.501 319 1HE2 GLN 37 HE22 GLN 37 77.527 16.621 -7.395 320 2HE2 GLN 37 HE21 GLN 37 76.904 15.060 -7.154 321 H GLY 38 HN GLY 38 80.104 10.053 -5.102 322 1HA GLY 38 HA2 GLY 38 81.861 8.921 -7.229 323 2HA GLY 38 HA1 GLY 38 82.537 9.281 -5.637 324 H ASP 39 HN ASP 39 79.249 8.230 -5.902 325 HA ASP 39 HA ASP 39 79.190 6.251 -4.014 326 1HB ASP 39 HB2 ASP 39 77.463 5.166 -5.615 327 2HB ASP 39 HB1 ASP 39 77.193 6.838 -5.127 328 H LYS 40 HN LYS 40 80.606 4.595 -3.694 329 HA LYS 40 HA LYS 40 81.942 3.254 -5.954 330 1HB LYS 40 HB2 LYS 40 82.631 3.961 -3.382 331 2HB LYS 40 HB1 LYS 40 82.287 2.239 -3.213 332 1HG LYS 40 HG2 LYS 40 84.110 1.633 -4.421 333 2HG LYS 40 HG1 LYS 40 83.857 2.912 -5.609 334 1HD LYS 40 HD2 LYS 40 84.742 3.716 -2.872 335 2HD LYS 40 HD1 LYS 40 85.935 2.968 -3.936 336 1HE LYS 40 HE2 LYS 40 84.250 5.087 -5.175 337 2HE LYS 40 HE1 LYS 40 85.439 5.629 -3.973 338 1HZ LYS 40 HZ2 LYS 40 86.338 3.578 -5.825 339 2HZ LYS 40 HZ1 LYS 40 86.075 5.111 -6.507 340 3HZ LYS 40 HZ3 LYS 40 87.167 4.934 -5.222 341 H GLU 41 HN GLU 41 80.317 2.064 -6.928 342 HA GLU 41 HA GLU 41 78.803 0.332 -7.318 343 1HB GLU 41 HB2 GLU 41 79.505 -1.796 -6.394 344 2HB GLU 41 HB1 GLU 41 80.926 -0.837 -6.797 345 1HG GLU 41 HG2 GLU 41 81.378 -0.343 -4.546 346 2HG GLU 41 HG1 GLU 41 79.757 -0.796 -4.026 347 H ALA 42 HN ALA 42 79.055 0.865 -3.743 348 HA ALA 42 HA ALA 42 76.635 -0.359 -2.979 349 1HB ALA 42 HB2 ALA 42 78.273 1.994 -2.058 350 2HB ALA 42 HB1 ALA 42 76.739 1.644 -1.262 351 3HB ALA 42 HB3 ALA 42 78.026 0.439 -1.262 352 H GLU 43 HN GLU 43 77.209 2.395 -4.953 353 HA GLU 43 HA GLU 43 75.211 4.224 -4.756 354 1HB GLU 43 HB2 GLU 43 76.758 3.862 -6.706 355 2HB GLU 43 HB1 GLU 43 75.683 2.576 -7.252 356 1HG GLU 43 HG2 GLU 43 74.058 4.021 -7.935 357 2HG GLU 43 HG1 GLU 43 74.388 5.174 -6.642 358 H ALA 44 HN ALA 44 74.649 1.197 -6.530 359 HA ALA 44 HA ALA 44 71.960 1.451 -6.939 360 1HB ALA 44 HB2 ALA 44 73.935 -0.561 -7.068 361 2HB ALA 44 HB1 ALA 44 72.586 -1.274 -6.184 362 3HB ALA 44 HB3 ALA 44 72.330 -0.610 -7.797 363 H LYS 45 HN LYS 45 73.493 0.200 -3.949 364 HA LYS 45 HA LYS 45 71.091 -0.544 -2.635 365 1HB LYS 45 HB2 LYS 45 73.199 -1.097 -1.654 366 2HB LYS 45 HB1 LYS 45 73.721 0.594 -1.656 367 1HG LYS 45 HG2 LYS 45 72.089 1.183 0.013 368 2HG LYS 45 HG1 LYS 45 71.305 -0.392 -0.116 369 1HD LYS 45 HD2 LYS 45 74.084 -0.820 0.439 370 2HD LYS 45 HD1 LYS 45 73.461 0.351 1.602 371 1HE LYS 45 HE2 LYS 45 71.742 -2.026 1.044 372 2HE LYS 45 HE1 LYS 45 73.206 -2.290 2.013 373 1HZ LYS 45 HZ1 LYS 45 71.714 0.116 2.636 374 2HZ LYS 45 HZ3 LYS 45 70.920 -1.332 3.023 375 3HZ LYS 45 HZ2 LYS 45 72.453 -1.003 3.678 376 H PHE 46 HN PHE 46 72.310 2.572 -3.544 377 HA PHE 46 HA PHE 46 70.841 4.110 -1.559 378 1HB PHE 46 HB2 PHE 46 72.040 4.851 -4.249 379 2HB PHE 46 HB1 PHE 46 71.487 6.003 -3.040 380 HD1 PHE 46 HD2 PHE 46 72.552 3.618 -0.935 381 HD2 PHE 46 HD1 PHE 46 74.233 6.241 -3.894 382 HE1 PHE 46 HE2 PHE 46 74.752 3.497 0.205 383 HE2 PHE 46 HE1 PHE 46 76.429 6.120 -2.752 384 HZ PHE 46 HZ PHE 46 76.690 4.749 -0.704 385 H LYS 47 HN LYS 47 70.263 3.486 -5.088 386 HA LYS 47 HA LYS 47 67.527 4.577 -4.641 387 1HB LYS 47 HB2 LYS 47 67.427 3.786 -7.208 388 2HB LYS 47 HB1 LYS 47 68.162 5.310 -6.735 389 1HG LYS 47 HG2 LYS 47 69.590 4.039 -8.301 390 2HG LYS 47 HG1 LYS 47 70.378 4.267 -6.741 391 1HD LYS 47 HD2 LYS 47 70.441 2.065 -6.360 392 2HD LYS 47 HD1 LYS 47 68.752 1.858 -6.782 393 1HE LYS 47 HE2 LYS 47 70.513 2.389 -9.095 394 2HE LYS 47 HE1 LYS 47 70.809 0.842 -8.277 395 1HZ LYS 47 HZ1 LYS 47 68.336 0.546 -8.263 396 2HZ LYS 47 HZ3 LYS 47 68.227 1.870 -9.315 397 3HZ LYS 47 HZ2 LYS 47 69.052 0.467 -9.801 398 H GLU 48 HN GLU 48 69.198 1.597 -4.626 399 HA GLU 48 HA GLU 48 67.246 -0.312 -5.370 400 1HB GLU 48 HB2 GLU 48 69.420 -0.085 -3.298 401 2HB GLU 48 HB1 GLU 48 68.358 -1.489 -3.256 402 1HG GLU 48 HG2 GLU 48 69.458 -0.771 -5.911 403 2HG GLU 48 HG1 GLU 48 70.619 -1.384 -4.734 404 H ILE 49 HN ILE 49 67.690 1.718 -2.579 405 HA ILE 49 HA ILE 49 65.615 0.667 -0.892 406 HB ILE 49 HB ILE 49 66.770 3.451 -1.157 407 1HG1 ILE 49 HG12 ILE 49 67.720 1.420 0.819 408 2HG1 ILE 49 HG11 ILE 49 68.275 1.294 -0.849 409 1HG2 ILE 49 HG21 ILE 49 64.663 2.756 0.364 410 2HG2 ILE 49 HG23 ILE 49 65.971 2.303 1.457 411 3HG2 ILE 49 HG22 ILE 49 65.849 3.961 0.868 412 1HD1 ILE 49 HD11 ILE 49 69.057 3.637 -0.759 413 2HD1 ILE 49 HD13 ILE 49 68.529 3.744 0.919 414 3HD1 ILE 49 HD12 ILE 49 69.841 2.652 0.474 415 H LYS 50 HN LYS 50 65.771 3.285 -3.277 416 HA LYS 50 HA LYS 50 63.150 4.336 -3.003 417 1HB LYS 50 HB2 LYS 50 64.994 5.312 -4.335 418 2HB LYS 50 HB1 LYS 50 64.887 3.968 -5.472 419 1HG LYS 50 HG2 LYS 50 62.264 4.968 -5.234 420 2HG LYS 50 HG1 LYS 50 63.307 6.386 -5.367 421 1HD LYS 50 HD2 LYS 50 63.823 5.941 -7.527 422 2HD LYS 50 HD1 LYS 50 64.052 4.221 -7.206 423 1HE LYS 50 HE2 LYS 50 61.243 5.210 -7.081 424 2HE LYS 50 HE1 LYS 50 61.989 5.133 -8.691 425 1HZ LYS 50 HZ1 LYS 50 62.576 2.886 -6.963 426 2HZ LYS 50 HZ3 LYS 50 60.946 3.009 -7.417 427 3HZ LYS 50 HZ2 LYS 50 62.153 2.909 -8.608 428 H GLU 51 HN GLU 51 64.296 1.364 -4.459 429 HA GLU 51 HA GLU 51 62.012 0.758 -6.104 430 1HB GLU 51 HB2 GLU 51 64.424 -0.253 -5.930 431 2HB GLU 51 HB1 GLU 51 63.720 -1.275 -4.676 432 1HG GLU 51 HG2 GLU 51 62.752 -2.588 -6.224 433 2HG GLU 51 HG1 GLU 51 61.963 -1.193 -6.959 434 H ALA 52 HN ALA 52 62.832 0.103 -2.712 435 HA ALA 52 HA ALA 52 60.917 -1.686 -1.846 436 1HB ALA 52 HB1 ALA 52 62.680 0.017 -0.717 437 2HB ALA 52 HB3 ALA 52 61.183 0.861 -0.319 438 3HB ALA 52 HB2 ALA 52 61.431 -0.800 0.222 439 H TYR 53 HN TYR 53 60.368 1.588 -2.994 440 HA TYR 53 HA TYR 53 57.719 1.984 -2.010 441 1HB TYR 53 HB2 TYR 53 59.050 2.898 -4.584 442 2HB TYR 53 HB1 TYR 53 57.642 3.651 -3.839 443 HD1 TYR 53 HD1 TYR 53 59.465 2.569 -1.111 444 HD2 TYR 53 HD2 TYR 53 59.675 5.519 -4.231 445 HE1 TYR 53 HE1 TYR 53 60.971 3.937 0.290 446 HE2 TYR 53 HE2 TYR 53 61.177 6.893 -2.814 447 HH TYR 53 HH TYR 53 61.959 5.931 0.513 448 H GLU 54 HN GLU 54 58.974 0.114 -4.709 449 HA GLU 54 HA GLU 54 56.467 -0.304 -6.077 450 1HB GLU 54 HB2 GLU 54 58.687 -2.343 -5.841 451 2HB GLU 54 HB1 GLU 54 57.673 -1.987 -7.239 452 1HG GLU 54 HG2 GLU 54 58.983 0.422 -6.571 453 2HG GLU 54 HG1 GLU 54 60.205 -0.846 -6.512 454 H VAL 55 HN VAL 55 57.719 -1.274 -3.041 455 HA VAL 55 HA VAL 55 55.819 -3.531 -2.909 456 HB VAL 55 HB VAL 55 58.511 -3.099 -2.088 457 1HG1 VAL 55 HG11 VAL 55 56.553 -3.509 0.179 458 2HG1 VAL 55 HG13 VAL 55 58.242 -3.999 0.286 459 3HG1 VAL 55 HG12 VAL 55 57.831 -2.299 0.060 460 1HG2 VAL 55 HG23 VAL 55 56.537 -5.256 -2.332 461 2HG2 VAL 55 HG22 VAL 55 58.247 -5.240 -2.765 462 3HG2 VAL 55 HG21 VAL 55 57.761 -5.554 -1.098 463 H LEU 56 HN LEU 56 56.998 -0.860 -0.762 464 HA LEU 56 HA LEU 56 54.494 -1.174 0.756 465 1HB LEU 56 HB2 LEU 56 55.536 0.010 2.454 466 2HB LEU 56 HB1 LEU 56 56.855 -0.868 1.708 467 HG LEU 56 HG LEU 56 57.617 1.336 2.135 468 1HD1 LEU 56 HD13 LEU 56 56.819 0.956 -0.740 469 2HD1 LEU 56 HD12 LEU 56 57.883 2.251 -0.201 470 3HD1 LEU 56 HD11 LEU 56 58.363 0.569 0.017 471 1HD2 LEU 56 HD21 LEU 56 54.903 2.027 1.760 472 2HD2 LEU 56 HD23 LEU 56 56.222 3.076 2.270 473 3HD2 LEU 56 HD22 LEU 56 55.819 2.936 0.561 474 H THR 57 HN THR 57 55.362 0.875 -1.876 475 HA THR 57 HA THR 57 53.310 2.862 -0.982 476 HB THR 57 HB THR 57 54.188 4.296 -2.689 477 HG1 THR 57 HG1 THR 57 55.783 3.440 -4.151 478 1HG2 THR 57 HG23 THR 57 56.273 2.732 -1.208 479 2HG2 THR 57 HG22 THR 57 56.735 4.059 -2.266 480 3HG2 THR 57 HG21 THR 57 55.682 4.356 -0.883 481 H ASP 58 HN ASP 58 52.569 0.157 -1.714 482 HA ASP 58 HA ASP 58 50.655 0.774 -3.898 483 1HB ASP 58 HB2 ASP 58 53.032 -0.809 -4.152 484 2HB ASP 58 HB1 ASP 58 51.638 -1.891 -4.248 485 H SER 59 HN SER 59 48.763 0.380 -3.062 486 HA SER 59 HA SER 59 48.129 -0.777 -0.695 487 1HB SER 59 HB2 SER 59 45.879 -1.034 -1.621 488 2HB SER 59 HB1 SER 59 46.621 0.423 -2.276 489 HG SER 59 HG SER 59 47.152 -0.766 -4.135 490 H GLN 60 HN GLN 60 48.392 -2.572 -3.779 491 HA GLN 60 HA GLN 60 47.710 -5.131 -2.598 492 1HB GLN 60 HB2 GLN 60 48.647 -5.944 -4.808 493 2HB GLN 60 HB1 GLN 60 47.403 -4.704 -4.957 494 1HG GLN 60 HG2 GLN 60 49.826 -3.296 -4.706 495 2HG GLN 60 HG1 GLN 60 50.170 -4.623 -5.814 496 1HE2 GLN 60 HE22 GLN 60 47.934 -3.426 -8.346 497 2HE2 GLN 60 HE21 GLN 60 48.700 -4.819 -7.748 498 H LYS 61 HN LYS 61 50.724 -3.380 -3.105 499 HA LYS 61 HA LYS 61 52.480 -5.624 -2.465 500 1HB LYS 61 HB2 LYS 61 52.905 -2.635 -2.569 501 2HB LYS 61 HB1 LYS 61 54.165 -3.863 -2.584 502 1HG LYS 61 HG2 LYS 61 51.981 -3.754 -4.658 503 2HG LYS 61 HG1 LYS 61 53.522 -2.918 -4.854 504 1HD LYS 61 HD2 LYS 61 54.630 -4.834 -5.324 505 2HD LYS 61 HD1 LYS 61 53.831 -5.714 -4.020 506 1HE LYS 61 HE2 LYS 61 53.116 -6.747 -6.081 507 2HE LYS 61 HE1 LYS 61 51.749 -5.762 -5.525 508 1HZ LYS 61 HZ2 LYS 61 52.543 -3.937 -6.892 509 2HZ LYS 61 HZ1 LYS 61 53.847 -4.880 -7.438 510 3HZ LYS 61 HZ3 LYS 61 52.259 -5.309 -7.853 511 H ARG 62 HN ARG 62 51.736 -2.576 -0.716 512 HA ARG 62 HA ARG 62 53.086 -3.415 1.675 513 1HB ARG 62 HB2 ARG 62 51.976 -1.439 2.622 514 2HB ARG 62 HB1 ARG 62 52.529 -1.073 0.986 515 1HG ARG 62 HG2 ARG 62 50.380 -1.117 0.103 516 2HG ARG 62 HG1 ARG 62 49.767 -2.177 1.368 517 1HD ARG 62 HD2 ARG 62 50.625 0.148 2.715 518 2HD ARG 62 HD1 ARG 62 49.747 0.720 1.282 519 HE ARG 62 HE ARG 62 48.434 -1.499 2.680 520 1HH1 ARG 62 HH11 ARG 62 49.031 1.876 2.808 521 2HH1 ARG 62 HH12 ARG 62 47.420 2.288 3.291 522 1HH2 ARG 62 HH21 ARG 62 46.248 -0.972 3.104 523 2HH2 ARG 62 HH22 ARG 62 45.844 0.675 3.459 524 H ALA 63 HN ALA 63 49.975 -4.140 0.374 525 HA ALA 63 HA ALA 63 48.808 -4.939 2.971 526 1HB ALA 63 HB1 ALA 63 47.888 -5.225 0.085 527 2HB ALA 63 HB3 ALA 63 46.888 -5.536 1.504 528 3HB ALA 63 HB2 ALA 63 47.459 -3.902 1.169 529 H ALA 64 HN ALA 64 50.648 -6.254 0.383 530 HA ALA 64 HA ALA 64 49.962 -9.063 0.960 531 1HB ALA 64 HB3 ALA 64 51.699 -7.518 -0.965 532 2HB ALA 64 HB2 ALA 64 51.835 -9.272 -0.845 533 3HB ALA 64 HB1 ALA 64 50.305 -8.537 -1.323 534 H TYR 65 HN TYR 65 52.784 -6.885 1.204 535 HA TYR 65 HA TYR 65 54.498 -8.862 2.442 536 1HB TYR 65 HB2 TYR 65 54.467 -5.912 1.902 537 2HB TYR 65 HB1 TYR 65 55.694 -6.559 3.005 538 HD1 TYR 65 HD2 TYR 65 54.426 -6.557 -0.455 539 HD2 TYR 65 HD1 TYR 65 57.408 -8.117 2.216 540 HE1 TYR 65 HE2 TYR 65 55.739 -7.367 -2.395 541 HE2 TYR 65 HE1 TYR 65 58.720 -8.929 0.272 542 HH TYR 65 HH TYR 65 57.840 -8.083 -3.016 543 H ASP 66 HN ASP 66 52.389 -6.273 3.692 544 HA ASP 66 HA ASP 66 53.125 -6.104 6.360 545 1HB ASP 66 HB2 ASP 66 50.732 -5.637 6.765 546 2HB ASP 66 HB1 ASP 66 51.248 -4.911 5.241 547 H GLN 67 HN GLN 67 51.543 -8.808 4.728 548 HA GLN 67 HA GLN 67 51.939 -10.443 7.204 549 1HB GLN 67 HB2 GLN 67 49.468 -10.178 5.465 550 2HB GLN 67 HB1 GLN 67 49.677 -11.454 6.666 551 1HG GLN 67 HG2 GLN 67 49.923 -8.515 7.344 552 2HG GLN 67 HG1 GLN 67 48.400 -9.398 7.466 553 1HE2 GLN 67 HE22 GLN 67 49.822 -9.724 10.825 554 2HE2 GLN 67 HE21 GLN 67 49.033 -8.558 9.877 555 H TYR 68 HN TYR 68 53.099 -10.066 4.313 556 HA TYR 68 HA TYR 68 54.035 -11.488 2.675 557 1HB TYR 68 HB2 TYR 68 53.582 -13.239 5.093 558 2HB TYR 68 HB1 TYR 68 54.302 -13.898 3.620 559 HD1 TYR 68 HD1 TYR 68 54.724 -11.473 6.376 560 HD2 TYR 68 HD2 TYR 68 56.517 -13.226 2.888 561 HE1 TYR 68 HE1 TYR 68 56.914 -10.500 7.014 562 HE2 TYR 68 HE2 TYR 68 58.708 -12.254 3.528 563 HH TYR 68 HH TYR 68 59.677 -11.454 6.119 564 H GLY 69 HN GLY 69 51.107 -11.027 2.678 565 1HA GLY 69 HA2 GLY 69 49.480 -11.804 1.101 566 2HA GLY 69 HA1 GLY 69 50.372 -13.321 0.969 567 H HIS 70 HN HIS 70 47.454 -12.586 1.706 568 HA HIS 70 HA HIS 70 46.812 -13.111 4.355 569 1HB HIS 70 HB2 HIS 70 44.751 -14.171 3.373 570 2HB HIS 70 HB1 HIS 70 45.174 -12.634 2.613 571 HD1 HIS 70 HD1 HIS 70 46.051 -12.700 0.180 572 HD2 HIS 70 HD2 HIS 70 45.157 -16.469 1.721 573 HE1 HIS 70 HE1 HIS 70 46.072 -14.299 -1.783 574 H ALA 71 HN ALA 71 48.244 -15.295 2.040 575 HA ALA 71 HA ALA 71 47.616 -17.843 2.949 576 1HB ALA 71 HB1 ALA 71 49.505 -16.629 1.325 577 2HB ALA 71 HB3 ALA 71 50.496 -17.386 2.572 578 3HB ALA 71 HB2 ALA 71 49.385 -18.364 1.614 579 H ALA 72 HN ALA 72 49.982 -15.577 4.380 580 HA ALA 72 HA ALA 72 50.967 -17.268 6.445 581 1HB ALA 72 HB3 ALA 72 51.410 -14.739 5.535 582 2HB ALA 72 HB2 ALA 72 50.541 -14.387 7.028 583 3HB ALA 72 HB1 ALA 72 52.030 -15.331 7.077 584 H PHE 73 HN PHE 73 47.903 -15.708 6.034 585 HA PHE 73 HA PHE 73 47.083 -16.639 8.762 586 1HB PHE 73 HB2 PHE 73 47.155 -13.962 7.574 587 2HB PHE 73 HB1 PHE 73 45.548 -14.385 8.177 588 HD1 PHE 73 HD1 PHE 73 46.240 -16.196 10.425 589 HD2 PHE 73 HD2 PHE 73 47.999 -12.471 9.208 590 HE1 PHE 73 HE1 PHE 73 47.004 -15.797 12.751 591 HE2 PHE 73 HE2 PHE 73 48.762 -12.072 11.532 592 HZ PHE 73 HZ PHE 73 48.265 -13.735 13.304 593 H GLU 74 HN GLU 74 46.779 -17.738 5.960 594 HA GLU 74 HA GLU 74 45.085 -18.789 4.696 595 1HB GLU 74 HB2 GLU 74 43.556 -18.199 7.255 596 2HB GLU 74 HB1 GLU 74 43.087 -19.379 6.030 597 1HG GLU 74 HG2 GLU 74 45.678 -19.439 7.607 598 2HG GLU 74 HG1 GLU 74 44.272 -20.456 7.923 599 H GLN 75 HN GLN 75 42.294 -18.227 4.673 600 HA GLN 75 HA GLN 75 42.133 -16.008 2.912 601 1HB GLN 75 HB2 GLN 75 40.166 -17.556 4.603 602 2HB GLN 75 HB1 GLN 75 39.630 -16.268 3.521 603 1HG GLN 75 HG2 GLN 75 41.508 -18.099 2.226 604 2HG GLN 75 HG1 GLN 75 40.054 -18.919 2.800 605 1HE2 GLN 75 HE22 GLN 75 37.988 -16.503 0.812 606 2HE2 GLN 75 HE21 GLN 75 38.133 -16.859 2.465 607 H GLY 76 HN GLY 76 40.125 -15.923 5.810 608 1HA GLY 76 HA2 GLY 76 40.191 -14.332 7.609 609 2HA GLY 76 HA1 GLY 76 41.441 -13.439 6.741 610 H GLY 77 HN GLY 77 40.437 -11.422 6.685 611 1HA GLY 77 HA2 GLY 77 38.411 -11.027 4.661 612 2HA GLY 77 HA1 GLY 77 37.737 -10.829 6.279 No H/Q in entry = 612 Start of MODEL 19 1 1H ALA 1 HT1 ALA 1 69.519 -12.796 2.648 2 2H ALA 1 HT3 ALA 1 71.074 -13.472 2.612 3 3H ALA 1 HT2 ALA 1 69.900 -14.105 3.663 4 HA ALA 1 HA ALA 1 71.139 -12.821 5.112 5 1HB ALA 1 HB1 ALA 1 71.799 -11.627 2.559 6 2HB ALA 1 HB3 ALA 1 71.504 -10.366 3.757 7 3HB ALA 1 HB2 ALA 1 72.725 -11.602 4.061 8 H LYS 2 HN LYS 2 70.717 -10.139 5.658 9 HA LYS 2 HA LYS 2 67.803 -10.096 6.164 10 1HB LYS 2 HB2 LYS 2 69.621 -9.646 7.869 11 2HB LYS 2 HB1 LYS 2 69.989 -8.162 6.989 12 1HG LYS 2 HG2 LYS 2 68.192 -7.088 7.845 13 2HG LYS 2 HG1 LYS 2 67.130 -8.464 7.548 14 1HD LYS 2 HD2 LYS 2 67.231 -9.065 9.713 15 2HD LYS 2 HD1 LYS 2 68.993 -9.118 9.648 16 1HE LYS 2 HE2 LYS 2 68.559 -7.450 11.275 17 2HE LYS 2 HE1 LYS 2 68.825 -6.503 9.797 18 1HZ LYS 2 HZ1 LYS 2 66.153 -7.520 10.573 19 2HZ LYS 2 HZ3 LYS 2 66.715 -5.998 11.070 20 3HZ LYS 2 HZ2 LYS 2 66.527 -6.333 9.415 21 H GLN 3 HN GLN 3 66.789 -9.442 4.228 22 HA GLN 3 HA GLN 3 67.356 -6.641 3.377 23 1HB GLN 3 HB2 GLN 3 67.663 -9.176 1.837 24 2HB GLN 3 HB1 GLN 3 66.975 -7.799 0.976 25 1HG GLN 3 HG2 GLN 3 69.130 -6.739 2.430 26 2HG GLN 3 HG1 GLN 3 69.726 -8.263 1.774 27 1HE2 GLN 3 HE22 GLN 3 69.242 -7.203 -1.665 28 2HE2 GLN 3 HE21 GLN 3 69.100 -8.580 -0.683 29 H ASP 4 HN ASP 4 65.402 -5.665 3.674 30 HA ASP 4 HA ASP 4 62.984 -6.848 2.426 31 1HB ASP 4 HB2 ASP 4 62.234 -5.853 5.005 32 2HB ASP 4 HB1 ASP 4 62.070 -7.493 4.393 33 H TYR 5 HN TYR 5 62.367 -5.297 1.169 34 HA TYR 5 HA TYR 5 62.946 -2.664 0.966 35 1HB TYR 5 HB2 TYR 5 60.115 -2.783 0.683 36 2HB TYR 5 HB1 TYR 5 61.353 -2.817 -0.563 37 HD1 TYR 5 HD2 TYR 5 59.633 -5.050 1.883 38 HD2 TYR 5 HD1 TYR 5 61.709 -4.692 -1.854 39 HE1 TYR 5 HE2 TYR 5 59.157 -7.437 1.394 40 HE2 TYR 5 HE1 TYR 5 61.245 -7.081 -2.348 41 HH TYR 5 HH TYR 5 60.748 -9.190 -0.910 42 H TYR 6 HN TYR 6 60.047 -3.568 2.921 43 HA TYR 6 HA TYR 6 59.641 -1.076 4.132 44 1HB TYR 6 HB2 TYR 6 59.230 -3.924 4.904 45 2HB TYR 6 HB1 TYR 6 58.975 -2.679 6.133 46 HD1 TYR 6 HD1 TYR 6 57.628 -0.567 5.326 47 HD2 TYR 6 HD2 TYR 6 57.452 -4.431 3.456 48 HE1 TYR 6 HE1 TYR 6 55.438 0.013 4.328 49 HE2 TYR 6 HE2 TYR 6 55.254 -3.847 2.456 50 HH TYR 6 HH TYR 6 53.601 -0.857 3.346 51 H GLU 7 HN GLU 7 62.093 -3.493 4.733 52 HA GLU 7 HA GLU 7 63.210 -2.007 7.050 53 1HB GLU 7 HB2 GLU 7 63.342 -4.652 5.875 54 2HB GLU 7 HB1 GLU 7 64.970 -4.009 6.073 55 1HG GLU 7 HG2 GLU 7 63.146 -3.569 8.365 56 2HG GLU 7 HG1 GLU 7 63.601 -5.248 8.068 57 H ILE 8 HN ILE 8 63.718 -2.532 3.598 58 HA ILE 8 HA ILE 8 66.289 -1.553 3.170 59 HB ILE 8 HB ILE 8 63.718 -1.235 1.627 60 1HG1 ILE 8 HG12 ILE 8 64.704 -3.534 2.004 61 2HG1 ILE 8 HG11 ILE 8 64.629 -3.076 0.305 62 1HG2 ILE 8 HG23 ILE 8 65.290 0.555 1.001 63 2HG2 ILE 8 HG22 ILE 8 66.544 -0.649 0.715 64 3HG2 ILE 8 HG21 ILE 8 65.102 -0.619 -0.300 65 1HD1 ILE 8 HD12 ILE 8 67.107 -2.130 1.343 66 2HD1 ILE 8 HD11 ILE 8 66.923 -3.811 1.844 67 3HD1 ILE 8 HD13 ILE 8 66.843 -3.388 0.134 68 H LEU 9 HN LEU 9 63.248 0.216 3.552 69 HA LEU 9 HA LEU 9 64.600 2.858 3.564 70 1HB LEU 9 HB2 LEU 9 61.714 2.146 4.133 71 2HB LEU 9 HB1 LEU 9 62.344 3.677 3.528 72 HG LEU 9 HG LEU 9 63.198 1.600 1.773 73 1HD1 LEU 9 HD12 LEU 9 60.848 0.822 3.023 74 2HD1 LEU 9 HD11 LEU 9 60.280 1.585 1.539 75 3HD1 LEU 9 HD13 LEU 9 61.419 0.240 1.459 76 1HD2 LEU 9 HD21 LEU 9 62.600 4.133 1.468 77 2HD2 LEU 9 HD23 LEU 9 62.274 3.018 0.142 78 3HD2 LEU 9 HD22 LEU 9 60.964 3.534 1.200 79 H GLY 10 HN GLY 10 64.880 0.600 5.677 80 1HA GLY 10 HA2 GLY 10 65.153 0.480 7.985 81 2HA GLY 10 HA1 GLY 10 65.188 2.240 7.963 82 H VAL 11 HN VAL 11 62.295 0.673 6.714 83 HA VAL 11 HA VAL 11 60.922 1.633 9.210 84 HB VAL 11 HB VAL 11 59.061 0.983 7.165 85 1HG1 VAL 11 HG12 VAL 11 59.958 3.282 8.755 86 2HG1 VAL 11 HG11 VAL 11 59.213 3.713 7.218 87 3HG1 VAL 11 HG13 VAL 11 58.325 2.737 8.387 88 1HG2 VAL 11 HG23 VAL 11 61.491 2.449 6.183 89 2HG2 VAL 11 HG22 VAL 11 60.592 1.147 5.403 90 3HG2 VAL 11 HG21 VAL 11 59.898 2.763 5.504 91 H SER 12 HN SER 12 58.740 0.369 9.487 92 HA SER 12 HA SER 12 59.441 -2.462 9.859 93 1HB SER 12 HB2 SER 12 58.247 -0.803 11.486 94 2HB SER 12 HB1 SER 12 56.820 -1.139 10.508 95 HG SER 12 HG SER 12 56.654 -2.884 11.653 96 H LYS 13 HN LYS 13 58.257 -4.189 8.893 97 HA LYS 13 HA LYS 13 57.430 -3.907 6.233 98 1HB LYS 13 HB2 LYS 13 56.344 -6.085 6.607 99 2HB LYS 13 HB1 LYS 13 57.953 -6.012 7.323 100 1HG LYS 13 HG2 LYS 13 56.089 -5.041 9.262 101 2HG LYS 13 HG1 LYS 13 55.472 -6.570 8.633 102 1HD LYS 13 HD2 LYS 13 58.315 -6.786 9.027 103 2HD LYS 13 HD1 LYS 13 57.565 -6.200 10.512 104 1HE LYS 13 HE2 LYS 13 56.214 -8.462 9.090 105 2HE LYS 13 HE1 LYS 13 57.698 -8.816 9.998 106 1HZ LYS 13 HZ2 LYS 13 55.534 -7.149 11.134 107 2HZ LYS 13 HZ1 LYS 13 55.528 -8.840 11.301 108 3HZ LYS 13 HZ3 LYS 13 56.804 -7.929 11.950 109 H THR 14 HN THR 14 55.829 -3.004 9.130 110 HA THR 14 HA THR 14 53.197 -2.743 7.784 111 HB THR 14 HB THR 14 52.344 -2.680 9.973 112 HG1 THR 14 HG1 THR 14 53.257 -1.492 11.431 113 1HG2 THR 14 HG22 THR 14 53.853 -4.751 9.392 114 2HG2 THR 14 HG21 THR 14 54.912 -4.091 10.637 115 3HG2 THR 14 HG23 THR 14 53.256 -4.548 11.040 116 H ALA 15 HN ALA 15 55.962 -0.920 7.890 117 HA ALA 15 HA ALA 15 55.281 1.641 8.815 118 1HB ALA 15 HB3 ALA 15 56.881 0.783 6.399 119 2HB ALA 15 HB2 ALA 15 56.997 2.352 7.194 120 3HB ALA 15 HB1 ALA 15 57.481 0.892 8.052 121 H GLU 16 HN GLU 16 55.600 3.130 6.390 122 HA GLU 16 HA GLU 16 53.202 2.629 4.733 123 1HB GLU 16 HB2 GLU 16 53.587 5.051 6.531 124 2HB GLU 16 HB1 GLU 16 52.318 4.909 5.310 125 1HG GLU 16 HG2 GLU 16 51.819 2.631 6.568 126 2HG GLU 16 HG1 GLU 16 52.610 3.457 7.912 127 H GLU 17 HN GLU 17 53.475 5.702 4.151 128 HA GLU 17 HA GLU 17 55.531 5.376 2.052 129 1HB GLU 17 HB2 GLU 17 53.738 7.738 2.691 130 2HB GLU 17 HB1 GLU 17 54.516 7.373 1.151 131 1HG GLU 17 HG2 GLU 17 53.172 5.310 0.960 132 2HG GLU 17 HG1 GLU 17 52.386 5.682 2.495 133 H ARG 18 HN ARG 18 54.782 8.150 4.150 134 HA ARG 18 HA ARG 18 57.045 9.641 4.114 135 1HB ARG 18 HB2 ARG 18 56.557 9.818 6.724 136 2HB ARG 18 HB1 ARG 18 55.399 10.417 5.538 137 1HG ARG 18 HG2 ARG 18 53.883 8.776 5.996 138 2HG ARG 18 HG1 ARG 18 55.128 7.546 6.207 139 1HD ARG 18 HD2 ARG 18 53.917 8.085 8.347 140 2HD ARG 18 HD1 ARG 18 55.655 8.436 8.447 141 HE ARG 18 HE ARG 18 54.212 10.724 7.438 142 1HH1 ARG 18 HH21 ARG 18 53.713 8.982 10.261 143 2HH1 ARG 18 HH22 ARG 18 54.066 10.289 11.341 144 1HH2 ARG 18 HH11 ARG 18 55.189 12.406 8.835 145 2HH2 ARG 18 HH12 ARG 18 54.901 12.228 10.533 146 H GLU 19 HN GLU 19 56.843 7.429 6.888 147 HA GLU 19 HA GLU 19 59.498 7.391 7.609 148 1HB GLU 19 HB2 GLU 19 58.870 5.140 8.552 149 2HB GLU 19 HB1 GLU 19 57.718 6.409 8.915 150 1HG GLU 19 HG2 GLU 19 56.474 5.631 6.791 151 2HG GLU 19 HG1 GLU 19 57.466 4.181 6.896 152 H ILE 20 HN ILE 20 57.967 5.856 4.890 153 HA ILE 20 HA ILE 20 60.229 4.087 4.280 154 HB ILE 20 HB ILE 20 57.471 4.490 3.589 155 1HG1 ILE 20 HG12 ILE 20 58.018 2.168 2.443 156 2HG1 ILE 20 HG11 ILE 20 59.551 2.361 3.292 157 1HG2 ILE 20 HG21 ILE 20 58.483 5.615 1.556 158 2HG2 ILE 20 HG23 ILE 20 59.208 4.062 1.153 159 3HG2 ILE 20 HG22 ILE 20 57.458 4.227 1.207 160 1HD1 ILE 20 HD13 ILE 20 57.818 3.023 5.274 161 2HD1 ILE 20 HD12 ILE 20 56.838 1.865 4.377 162 3HD1 ILE 20 HD11 ILE 20 58.411 1.384 5.012 163 H ARG 21 HN ARG 21 58.906 7.191 3.184 164 HA ARG 21 HA ARG 21 61.066 7.451 1.165 165 1HB ARG 21 HB2 ARG 21 59.911 9.615 0.665 166 2HB ARG 21 HB1 ARG 21 58.826 8.234 0.587 167 1HG ARG 21 HG2 ARG 21 57.583 9.791 1.810 168 2HG ARG 21 HG1 ARG 21 58.304 8.815 3.075 169 1HD ARG 21 HD2 ARG 21 59.413 10.609 3.906 170 2HD ARG 21 HD1 ARG 21 60.077 10.991 2.305 171 HE ARG 21 HE ARG 21 57.228 11.608 2.577 172 1HH1 ARG 21 HH11 ARG 21 59.399 12.986 4.500 173 2HH1 ARG 21 HH12 ARG 21 59.483 14.529 3.716 174 1HH2 ARG 21 HH21 ARG 21 57.784 13.472 0.882 175 2HH2 ARG 21 HH22 ARG 21 58.564 14.804 1.667 176 H LYS 22 HN LYS 22 60.120 8.838 4.261 177 HA LYS 22 HA LYS 22 62.041 10.889 4.506 178 1HB LYS 22 HB2 LYS 22 60.354 10.719 6.153 179 2HB LYS 22 HB1 LYS 22 60.627 8.990 6.379 180 1HG LYS 22 HG2 LYS 22 61.499 10.499 8.242 181 2HG LYS 22 HG1 LYS 22 62.668 9.366 7.564 182 1HD LYS 22 HD2 LYS 22 63.866 11.385 7.613 183 2HD LYS 22 HD1 LYS 22 63.283 11.327 5.954 184 1HE LYS 22 HE2 LYS 22 61.905 13.123 6.247 185 2HE LYS 22 HE1 LYS 22 61.403 12.585 7.863 186 1HZ LYS 22 HZ1 LYS 22 63.721 13.147 8.600 187 2HZ LYS 22 HZ3 LYS 22 63.939 13.929 7.110 188 3HZ LYS 22 HZ2 LYS 22 62.753 14.483 8.193 189 H ALA 23 HN ALA 23 62.312 7.411 5.248 190 HA ALA 23 HA ALA 23 64.922 7.368 6.337 191 1HB ALA 23 HB2 ALA 23 63.151 5.544 6.161 192 2HB ALA 23 HB1 ALA 23 63.691 5.302 4.499 193 3HB ALA 23 HB3 ALA 23 64.804 5.023 5.838 194 H TYR 24 HN TYR 24 63.936 6.879 2.931 195 HA TYR 24 HA TYR 24 66.625 6.788 1.900 196 1HB TYR 24 HB2 TYR 24 64.415 5.942 0.884 197 2HB TYR 24 HB1 TYR 24 64.080 7.615 0.455 198 HD1 TYR 24 HD2 TYR 24 67.364 5.839 0.491 199 HD2 TYR 24 HD1 TYR 24 64.292 7.664 -1.894 200 HE1 TYR 24 HE2 TYR 24 68.801 5.637 -1.518 201 HE2 TYR 24 HE1 TYR 24 65.729 7.460 -3.902 202 HH TYR 24 HH TYR 24 67.583 6.314 -4.722 203 H LYS 25 HN LYS 25 64.602 9.203 3.113 204 HA LYS 25 HA LYS 25 65.752 11.438 1.607 205 1HB LYS 25 HB2 LYS 25 63.484 10.721 3.235 206 2HB LYS 25 HB1 LYS 25 64.214 12.193 3.866 207 1HG LYS 25 HG2 LYS 25 62.974 13.231 2.260 208 2HG LYS 25 HG1 LYS 25 64.249 12.685 1.168 209 1HD LYS 25 HD2 LYS 25 63.014 10.735 0.543 210 2HD LYS 25 HD1 LYS 25 61.852 10.976 1.846 211 1HE LYS 25 HE2 LYS 25 60.572 12.257 0.487 212 2HE LYS 25 HE1 LYS 25 61.940 13.354 0.212 213 1HZ LYS 25 HZ1 LYS 25 61.642 10.722 -1.128 214 2HZ LYS 25 HZ3 LYS 25 61.151 12.185 -1.828 215 3HZ LYS 25 HZ2 LYS 25 62.792 11.926 -1.471 216 H ARG 26 HN ARG 26 65.650 10.298 4.993 217 HA ARG 26 HA ARG 26 67.731 12.217 5.798 218 1HB ARG 26 HB2 ARG 26 65.715 10.457 6.995 219 2HB ARG 26 HB1 ARG 26 67.233 10.475 7.893 220 1HG ARG 26 HG2 ARG 26 66.960 13.123 7.387 221 2HG ARG 26 HG1 ARG 26 65.262 12.650 7.472 222 1HD ARG 26 HD2 ARG 26 65.617 12.993 9.732 223 2HD ARG 26 HD1 ARG 26 66.218 11.325 9.644 224 HE ARG 26 HE ARG 26 68.505 12.386 9.181 225 1HH1 ARG 26 HH21 ARG 26 66.320 14.823 9.841 226 2HH1 ARG 26 HH22 ARG 26 67.221 15.534 11.138 227 1HH2 ARG 26 HH11 ARG 26 69.540 12.958 11.291 228 2HH2 ARG 26 HH12 ARG 26 69.045 14.478 11.960 229 H LEU 27 HN LEU 27 67.446 8.761 5.093 230 HA LEU 27 HA LEU 27 70.078 8.102 6.173 231 1HB LEU 27 HB2 LEU 27 69.457 5.929 5.654 232 2HB LEU 27 HB1 LEU 27 67.862 6.676 5.748 233 HG LEU 27 HG LEU 27 68.204 7.122 3.198 234 1HD1 LEU 27 HD12 LEU 27 70.575 5.602 3.897 235 2HD1 LEU 27 HD11 LEU 27 69.629 4.760 2.670 236 3HD1 LEU 27 HD13 LEU 27 70.181 6.410 2.379 237 1HD2 LEU 27 HD23 LEU 27 66.705 5.384 4.453 238 2HD2 LEU 27 HD22 LEU 27 67.003 5.157 2.730 239 3HD2 LEU 27 HD21 LEU 27 67.908 4.212 3.913 240 H ALA 28 HN ALA 28 68.680 8.857 3.007 241 HA ALA 28 HA ALA 28 71.122 8.246 1.557 242 1HB ALA 28 HB2 ALA 28 68.657 8.237 0.814 243 2HB ALA 28 HB1 ALA 28 68.808 9.991 0.709 244 3HB ALA 28 HB3 ALA 28 69.814 8.956 -0.305 245 H MET 29 HN MET 29 69.549 11.245 2.721 246 HA MET 29 HA MET 29 71.491 13.049 1.656 247 1HB MET 29 HB2 MET 29 70.502 14.604 3.176 248 2HB MET 29 HB1 MET 29 69.206 13.462 2.830 249 1HG MET 29 HG2 MET 29 69.102 13.532 5.149 250 2HG MET 29 HG1 MET 29 70.208 12.179 4.915 251 1HE MET 29 HE2 MET 29 69.670 15.757 5.181 252 2HE MET 29 HE1 MET 29 70.875 16.403 6.293 253 3HE MET 29 HE3 MET 29 71.247 16.251 4.570 254 H LYS 30 HN LYS 30 71.461 10.838 4.343 255 HA LYS 30 HA LYS 30 73.975 11.883 5.503 256 1HB LYS 30 HB2 LYS 30 71.758 10.104 6.215 257 2HB LYS 30 HB1 LYS 30 73.324 9.426 6.659 258 1HG LYS 30 HG2 LYS 30 73.745 11.058 8.211 259 2HG LYS 30 HG1 LYS 30 72.925 12.306 7.271 260 1HD LYS 30 HD2 LYS 30 70.903 11.892 8.241 261 2HD LYS 30 HD1 LYS 30 71.176 10.151 8.300 262 1HE LYS 30 HE2 LYS 30 72.946 10.737 10.144 263 2HE LYS 30 HE1 LYS 30 72.043 12.258 10.271 264 1HZ LYS 30 HZ1 LYS 30 70.158 10.237 10.043 265 2HZ LYS 30 HZ3 LYS 30 71.292 9.678 11.174 266 3HZ LYS 30 HZ2 LYS 30 70.508 11.163 11.423 267 H TYR 31 HN TYR 31 72.886 9.537 3.188 268 HA TYR 31 HA TYR 31 75.513 8.125 3.252 269 1HB TYR 31 HB2 TYR 31 72.737 7.484 2.541 270 2HB TYR 31 HB1 TYR 31 73.902 6.923 1.340 271 HD1 TYR 31 HD1 TYR 31 74.792 7.367 4.884 272 HD2 TYR 31 HD2 TYR 31 73.613 4.553 1.861 273 HE1 TYR 31 HE1 TYR 31 75.450 5.497 6.372 274 HE2 TYR 31 HE2 TYR 31 74.269 2.682 3.350 275 HH TYR 31 HH TYR 31 75.359 3.272 6.676 276 H HIS 32 HN HIS 32 74.372 10.800 1.966 277 HA HIS 32 HA HIS 32 74.805 10.787 -0.824 278 1HB HIS 32 HB2 HIS 32 74.911 13.198 -0.382 279 2HB HIS 32 HB1 HIS 32 73.739 12.456 0.685 280 HD1 HIS 32 HD1 HIS 32 75.715 15.049 1.208 281 HD2 HIS 32 HD2 HIS 32 75.899 11.266 2.947 282 HE1 HIS 32 HE1 HIS 32 76.942 15.334 3.404 283 HA PRO 33 HA PRO 33 79.149 10.972 -1.384 284 1HB PRO 33 HB2 PRO 33 80.303 13.458 -1.312 285 2HB PRO 33 HB1 PRO 33 79.355 12.848 -2.683 286 1HG PRO 33 HG2 PRO 33 78.550 14.695 -0.506 287 2HG PRO 33 HG1 PRO 33 78.114 14.710 -2.220 288 1HD PRO 33 HD2 PRO 33 76.500 13.842 -0.247 289 2HD PRO 33 HD1 PRO 33 76.393 13.259 -1.920 290 H ASP 34 HN ASP 34 78.437 10.399 1.199 291 HA ASP 34 HA ASP 34 80.564 11.594 2.933 292 1HB ASP 34 HB2 ASP 34 79.182 10.762 4.759 293 2HB ASP 34 HB1 ASP 34 78.107 11.578 3.625 294 H ARG 35 HN ARG 35 79.111 8.615 1.733 295 HA ARG 35 HA ARG 35 81.686 7.177 2.162 296 1HB ARG 35 HB2 ARG 35 80.318 5.256 2.984 297 2HB ARG 35 HB1 ARG 35 80.140 6.676 4.016 298 1HG ARG 35 HG2 ARG 35 77.916 5.953 3.683 299 2HG ARG 35 HG1 ARG 35 78.110 7.256 2.511 300 1HD ARG 35 HD2 ARG 35 77.638 5.828 0.837 301 2HD ARG 35 HD1 ARG 35 79.012 4.808 1.312 302 HE ARG 35 HE ARG 35 76.329 4.602 2.638 303 1HH1 ARG 35 HH11 ARG 35 79.391 3.329 2.748 304 2HH1 ARG 35 HH12 ARG 35 78.921 1.676 2.526 305 1HH2 ARG 35 HH21 ARG 35 75.630 2.439 1.745 306 2HH2 ARG 35 HH22 ARG 35 76.792 1.172 1.959 307 H ASN 36 HN ASN 36 78.642 7.606 0.401 308 HA ASN 36 HA ASN 36 78.589 5.453 -1.358 309 1HB ASN 36 HB2 ASN 36 77.685 8.208 -1.203 310 2HB ASN 36 HB1 ASN 36 78.066 7.770 -2.868 311 1HD2 ASN 36 HD22 ASN 36 74.928 5.939 -0.974 312 2HD2 ASN 36 HD21 ASN 36 76.042 6.850 -0.076 313 H GLN 37 HN GLN 37 80.913 8.046 -1.161 314 HA GLN 37 HA GLN 37 82.032 8.038 -3.748 315 1HB GLN 37 HB2 GLN 37 83.458 8.203 -1.070 316 2HB GLN 37 HB1 GLN 37 84.010 8.898 -2.594 317 1HG GLN 37 HG2 GLN 37 81.362 9.826 -2.191 318 2HG GLN 37 HG1 GLN 37 82.214 10.034 -0.660 319 1HE2 GLN 37 HE22 GLN 37 84.047 12.791 -1.840 320 2HE2 GLN 37 HE21 GLN 37 83.483 11.893 -0.514 321 H GLY 38 HN GLY 38 82.001 5.558 -1.326 322 1HA GLY 38 HA2 GLY 38 84.385 4.151 -2.165 323 2HA GLY 38 HA1 GLY 38 83.066 3.462 -1.216 324 H ASP 39 HN ASP 39 81.227 4.503 -3.482 325 HA ASP 39 HA ASP 39 80.253 3.580 -5.428 326 1HB ASP 39 HB2 ASP 39 83.107 3.638 -5.685 327 2HB ASP 39 HB1 ASP 39 82.498 2.182 -6.475 328 H LYS 40 HN LYS 40 80.994 1.901 -2.831 329 HA LYS 40 HA LYS 40 81.172 -0.860 -3.619 330 1HB LYS 40 HB2 LYS 40 80.460 0.783 -1.240 331 2HB LYS 40 HB1 LYS 40 79.957 -0.907 -1.220 332 1HG LYS 40 HG2 LYS 40 82.091 -1.667 -0.993 333 2HG LYS 40 HG1 LYS 40 82.727 -0.487 -2.140 334 1HD LYS 40 HD2 LYS 40 82.250 1.244 -0.239 335 2HD LYS 40 HD1 LYS 40 82.232 -0.171 0.812 336 1HE LYS 40 HE2 LYS 40 84.501 -0.546 -0.785 337 2HE LYS 40 HE1 LYS 40 84.518 1.183 -0.383 338 1HZ LYS 40 HZ2 LYS 40 83.936 0.477 1.945 339 2HZ LYS 40 HZ1 LYS 40 84.314 -1.113 1.482 340 3HZ LYS 40 HZ3 LYS 40 85.512 0.087 1.441 341 H GLU 41 HN GLU 41 79.353 -0.145 -5.439 342 HA GLU 41 HA GLU 41 77.111 -0.309 -6.151 343 1HB GLU 41 HB2 GLU 41 76.301 -2.491 -5.748 344 2HB GLU 41 HB1 GLU 41 78.045 -2.658 -5.547 345 1HG GLU 41 HG2 GLU 41 77.879 -2.647 -3.190 346 2HG GLU 41 HG1 GLU 41 76.218 -2.063 -3.222 347 H ALA 42 HN ALA 42 77.760 1.299 -3.668 348 HA ALA 42 HA ALA 42 75.641 1.072 -1.752 349 1HB ALA 42 HB1 ALA 42 77.738 2.976 -2.635 350 2HB ALA 42 HB3 ALA 42 76.344 3.734 -1.862 351 3HB ALA 42 HB2 ALA 42 77.275 2.510 -0.999 352 H GLU 43 HN GLU 43 75.669 1.756 -5.034 353 HA GLU 43 HA GLU 43 73.561 3.780 -5.174 354 1HB GLU 43 HB2 GLU 43 75.335 3.075 -6.920 355 2HB GLU 43 HB1 GLU 43 74.261 1.715 -7.257 356 1HG GLU 43 HG2 GLU 43 73.236 3.133 -8.700 357 2HG GLU 43 HG1 GLU 43 72.500 3.814 -7.249 358 H ALA 44 HN ALA 44 73.708 0.246 -5.516 359 HA ALA 44 HA ALA 44 71.031 -0.099 -6.274 360 1HB ALA 44 HB2 ALA 44 73.024 -1.837 -4.805 361 2HB ALA 44 HB1 ALA 44 71.451 -2.448 -5.316 362 3HB ALA 44 HB3 ALA 44 72.611 -1.885 -6.519 363 H LYS 45 HN LYS 45 72.358 -0.696 -2.976 364 HA LYS 45 HA LYS 45 69.907 -0.965 -1.642 365 1HB LYS 45 HB2 LYS 45 71.986 -1.272 -0.467 366 2HB LYS 45 HB1 LYS 45 72.497 0.388 -0.822 367 1HG LYS 45 HG2 LYS 45 70.633 1.265 0.529 368 2HG LYS 45 HG1 LYS 45 70.084 -0.378 0.861 369 1HD LYS 45 HD2 LYS 45 71.812 -0.811 2.330 370 2HD LYS 45 HD1 LYS 45 72.929 0.275 1.503 371 1HE LYS 45 HE2 LYS 45 72.201 2.132 2.668 372 2HE LYS 45 HE1 LYS 45 70.543 1.519 2.807 373 1HZ LYS 45 HZ1 LYS 45 72.171 -0.315 4.100 374 2HZ LYS 45 HZ3 LYS 45 72.696 1.211 4.623 375 3HZ LYS 45 HZ2 LYS 45 71.070 0.763 4.815 376 H PHE 46 HN PHE 46 71.424 1.846 -3.030 377 HA PHE 46 HA PHE 46 69.914 3.899 -1.716 378 1HB PHE 46 HB2 PHE 46 71.891 3.593 -3.741 379 2HB PHE 46 HB1 PHE 46 70.587 4.558 -4.435 380 HD1 PHE 46 HD1 PHE 46 71.614 4.352 -0.870 381 HD2 PHE 46 HD2 PHE 46 71.511 6.738 -4.437 382 HE1 PHE 46 HE1 PHE 46 72.387 6.322 0.429 383 HE2 PHE 46 HE2 PHE 46 72.286 8.711 -3.142 384 HZ PHE 46 HZ PHE 46 72.722 8.502 -0.708 385 H LYS 47 HN LYS 47 69.430 2.344 -4.942 386 HA LYS 47 HA LYS 47 66.769 3.622 -5.075 387 1HB LYS 47 HB2 LYS 47 66.953 3.142 -7.320 388 2HB LYS 47 HB1 LYS 47 68.653 2.920 -6.919 389 1HG LYS 47 HG2 LYS 47 66.631 0.670 -6.838 390 2HG LYS 47 HG1 LYS 47 67.611 1.039 -8.255 391 1HD LYS 47 HD2 LYS 47 69.500 0.993 -6.261 392 2HD LYS 47 HD1 LYS 47 68.382 -0.266 -5.736 393 1HE LYS 47 HE2 LYS 47 69.964 -1.358 -7.191 394 2HE LYS 47 HE1 LYS 47 68.482 -1.161 -8.149 395 1HZ LYS 47 HZ2 LYS 47 70.600 0.907 -8.077 396 2HZ LYS 47 HZ1 LYS 47 70.620 -0.354 -9.216 397 3HZ LYS 47 HZ3 LYS 47 69.328 0.746 -9.192 398 H GLU 48 HN GLU 48 68.187 0.612 -4.103 399 HA GLU 48 HA GLU 48 66.069 -1.237 -4.281 400 1HB GLU 48 HB2 GLU 48 68.262 -0.589 -2.331 401 2HB GLU 48 HB1 GLU 48 67.079 -1.810 -1.880 402 1HG GLU 48 HG2 GLU 48 68.804 -1.822 -4.369 403 2HG GLU 48 HG1 GLU 48 68.987 -2.880 -2.970 404 H ILE 49 HN ILE 49 66.658 1.521 -2.278 405 HA ILE 49 HA ILE 49 64.377 1.192 -0.478 406 HB ILE 49 HB ILE 49 66.079 3.562 -1.236 407 1HG1 ILE 49 HG12 ILE 49 66.476 1.958 1.254 408 2HG1 ILE 49 HG11 ILE 49 67.117 1.329 -0.265 409 1HG2 ILE 49 HG22 ILE 49 64.323 3.020 1.150 410 2HG2 ILE 49 HG21 ILE 49 65.439 4.380 1.024 411 3HG2 ILE 49 HG23 ILE 49 64.076 4.253 -0.088 412 1HD1 ILE 49 HD11 ILE 49 68.266 3.533 -0.618 413 2HD1 ILE 49 HD13 ILE 49 67.732 4.019 0.991 414 3HD1 ILE 49 HD12 ILE 49 68.844 2.664 0.802 415 H LYS 50 HN LYS 50 65.213 3.264 -3.244 416 HA LYS 50 HA LYS 50 62.660 4.590 -3.443 417 1HB LYS 50 HB2 LYS 50 64.909 5.283 -4.401 418 2HB LYS 50 HB1 LYS 50 64.696 4.028 -5.623 419 1HG LYS 50 HG2 LYS 50 62.273 5.506 -5.532 420 2HG LYS 50 HG1 LYS 50 63.590 6.679 -5.577 421 1HD LYS 50 HD2 LYS 50 63.863 6.270 -7.769 422 2HD LYS 50 HD1 LYS 50 64.256 4.592 -7.393 423 1HE LYS 50 HE2 LYS 50 62.382 4.199 -8.684 424 2HE LYS 50 HE1 LYS 50 61.548 4.503 -7.146 425 1HZ LYS 50 HZ2 LYS 50 61.562 6.894 -7.724 426 2HZ LYS 50 HZ1 LYS 50 62.175 6.496 -9.258 427 3HZ LYS 50 HZ3 LYS 50 60.634 5.958 -8.797 428 H GLU 51 HN GLU 51 63.528 1.391 -3.996 429 HA GLU 51 HA GLU 51 61.625 0.900 -6.200 430 1HB GLU 51 HB2 GLU 51 63.768 -0.262 -6.112 431 2HB GLU 51 HB1 GLU 51 63.432 -0.810 -4.470 432 1HG GLU 51 HG2 GLU 51 61.682 -2.252 -5.193 433 2HG GLU 51 HG1 GLU 51 61.616 -1.500 -6.787 434 H ALA 52 HN ALA 52 62.055 0.277 -2.734 435 HA ALA 52 HA ALA 52 60.053 -1.403 -1.938 436 1HB ALA 52 HB3 ALA 52 61.589 -0.067 -0.512 437 2HB ALA 52 HB2 ALA 52 60.631 1.375 -0.845 438 3HB ALA 52 HB1 ALA 52 59.926 0.039 0.065 439 H TYR 53 HN TYR 53 59.567 1.786 -3.377 440 HA TYR 53 HA TYR 53 56.825 2.188 -2.692 441 1HB TYR 53 HB2 TYR 53 58.475 2.968 -5.115 442 2HB TYR 53 HB1 TYR 53 56.914 3.691 -4.687 443 HD1 TYR 53 HD2 TYR 53 56.647 5.012 -2.660 444 HD2 TYR 53 HD1 TYR 53 60.435 3.348 -3.744 445 HE1 TYR 53 HE2 TYR 53 57.751 6.402 -0.954 446 HE2 TYR 53 HE1 TYR 53 61.548 4.717 -2.036 447 HH TYR 53 HH TYR 53 60.786 5.853 0.188 448 H GLU 54 HN GLU 54 58.367 0.066 -4.979 449 HA GLU 54 HA GLU 54 56.212 -0.508 -6.746 450 1HB GLU 54 HB2 GLU 54 57.415 -2.746 -6.848 451 2HB GLU 54 HB1 GLU 54 58.475 -1.350 -7.066 452 1HG GLU 54 HG2 GLU 54 59.705 -2.087 -5.329 453 2HG GLU 54 HG1 GLU 54 58.325 -1.753 -4.280 454 H VAL 55 HN VAL 55 56.636 -1.045 -3.358 455 HA VAL 55 HA VAL 55 54.211 -2.756 -3.347 456 HB VAL 55 HB VAL 55 55.861 -4.289 -2.769 457 1HG1 VAL 55 HG13 VAL 55 57.609 -2.343 -2.645 458 2HG1 VAL 55 HG12 VAL 55 57.336 -2.495 -0.913 459 3HG1 VAL 55 HG11 VAL 55 57.909 -3.872 -1.841 460 1HG2 VAL 55 HG22 VAL 55 54.930 -2.960 -0.226 461 2HG2 VAL 55 HG21 VAL 55 54.378 -4.474 -0.940 462 3HG2 VAL 55 HG23 VAL 55 55.969 -4.372 -0.196 463 H LEU 56 HN LEU 56 56.163 -1.134 -0.834 464 HA LEU 56 HA LEU 56 54.291 -0.605 1.047 465 1HB LEU 56 HB2 LEU 56 55.682 1.191 1.735 466 2HB LEU 56 HB1 LEU 56 56.740 0.062 0.882 467 HG LEU 56 HG LEU 56 55.921 1.579 -1.193 468 1HD1 LEU 56 HD12 LEU 56 55.678 3.218 1.314 469 2HD1 LEU 56 HD11 LEU 56 56.196 3.982 -0.189 470 3HD1 LEU 56 HD13 LEU 56 54.623 3.189 -0.099 471 1HD2 LEU 56 HD22 LEU 56 58.252 0.991 -0.285 472 2HD2 LEU 56 HD21 LEU 56 58.100 2.536 -1.122 473 3HD2 LEU 56 HD23 LEU 56 58.144 2.483 0.637 474 H THR 57 HN THR 57 54.366 1.070 -2.079 475 HA THR 57 HA THR 57 52.301 2.973 -1.142 476 HB THR 57 HB THR 57 52.603 3.918 -3.395 477 HG1 THR 57 HG1 THR 57 54.632 2.345 -4.193 478 1HG2 THR 57 HG23 THR 57 54.255 4.407 -1.567 479 2HG2 THR 57 HG22 THR 57 55.278 3.124 -2.210 480 3HG2 THR 57 HG21 THR 57 54.934 4.550 -3.188 481 H ASP 58 HN ASP 58 51.630 0.106 -1.173 482 HA ASP 58 HA ASP 58 49.175 0.264 -2.806 483 1HB ASP 58 HB2 ASP 58 51.555 -1.108 -3.601 484 2HB ASP 58 HB1 ASP 58 50.326 -2.315 -3.222 485 H SER 59 HN SER 59 47.587 -0.360 -1.557 486 HA SER 59 HA SER 59 47.836 -1.366 1.010 487 1HB SER 59 HB2 SER 59 45.691 -1.426 -1.089 488 2HB SER 59 HB1 SER 59 45.409 -2.230 0.452 489 HG SER 59 HG SER 59 44.941 -0.305 1.145 490 H GLN 60 HN GLN 60 47.278 -3.227 -1.987 491 HA GLN 60 HA GLN 60 47.265 -5.826 -0.749 492 1HB GLN 60 HB2 GLN 60 46.463 -5.174 -3.053 493 2HB GLN 60 HB1 GLN 60 48.151 -5.005 -3.537 494 1HG GLN 60 HG2 GLN 60 48.472 -7.415 -2.731 495 2HG GLN 60 HG1 GLN 60 46.712 -7.518 -2.666 496 1HE2 GLN 60 HE22 GLN 60 48.585 -7.787 -6.234 497 2HE2 GLN 60 HE21 GLN 60 49.441 -7.712 -4.770 498 H LYS 61 HN LYS 61 49.789 -3.684 -1.901 499 HA LYS 61 HA LYS 61 52.013 -5.546 -1.778 500 1HB LYS 61 HB2 LYS 61 51.585 -2.575 -1.882 501 2HB LYS 61 HB1 LYS 61 53.192 -3.265 -1.741 502 1HG LYS 61 HG2 LYS 61 52.188 -2.763 -4.126 503 2HG LYS 61 HG1 LYS 61 53.141 -4.215 -3.854 504 1HD LYS 61 HD2 LYS 61 50.945 -5.430 -3.394 505 2HD LYS 61 HD1 LYS 61 50.122 -3.990 -3.991 506 1HE LYS 61 HE2 LYS 61 52.189 -5.569 -5.564 507 2HE LYS 61 HE1 LYS 61 50.432 -5.672 -5.799 508 1HZ LYS 61 HZ2 LYS 61 50.514 -3.159 -5.977 509 2HZ LYS 61 HZ1 LYS 61 52.194 -3.322 -6.172 510 3HZ LYS 61 HZ3 LYS 61 51.137 -4.028 -7.296 511 H ARG 62 HN ARG 62 51.421 -2.674 0.274 512 HA ARG 62 HA ARG 62 53.176 -3.347 2.339 513 1HB ARG 62 HB2 ARG 62 51.720 -1.870 3.706 514 2HB ARG 62 HB1 ARG 62 51.923 -1.213 2.081 515 1HG ARG 62 HG2 ARG 62 49.761 -1.782 1.432 516 2HG ARG 62 HG1 ARG 62 49.627 -3.059 2.638 517 1HD ARG 62 HD2 ARG 62 50.023 -0.739 4.155 518 2HD ARG 62 HD1 ARG 62 48.893 -0.252 2.876 519 HE ARG 62 HE ARG 62 47.658 -2.458 3.520 520 1HH1 ARG 62 HH21 ARG 62 49.591 -2.967 5.811 521 2HH1 ARG 62 HH22 ARG 62 48.692 -2.352 7.158 522 1HH2 ARG 62 HH11 ARG 62 46.445 -0.587 5.190 523 2HH2 ARG 62 HH12 ARG 62 46.908 -1.007 6.806 524 H ALA 63 HN ALA 63 50.099 -4.703 1.535 525 HA ALA 63 HA ALA 63 49.857 -6.182 4.092 526 1HB ALA 63 HB2 ALA 63 48.227 -6.012 1.535 527 2HB ALA 63 HB1 ALA 63 47.775 -7.021 2.909 528 3HB ALA 63 HB3 ALA 63 47.843 -5.268 3.087 529 H ALA 64 HN ALA 64 51.000 -6.538 0.847 530 HA ALA 64 HA ALA 64 51.077 -9.489 0.937 531 1HB ALA 64 HB2 ALA 64 51.821 -7.310 -1.018 532 2HB ALA 64 HB1 ALA 64 52.267 -8.990 -1.317 533 3HB ALA 64 HB3 ALA 64 50.567 -8.540 -1.176 534 H TYR 65 HN TYR 65 53.473 -6.826 0.596 535 HA TYR 65 HA TYR 65 55.750 -8.545 1.004 536 1HB TYR 65 HB2 TYR 65 55.081 -5.635 0.902 537 2HB TYR 65 HB1 TYR 65 56.657 -6.090 1.575 538 HD1 TYR 65 HD2 TYR 65 54.861 -8.079 -0.969 539 HD2 TYR 65 HD1 TYR 65 58.009 -5.246 -0.265 540 HE1 TYR 65 HE2 TYR 65 55.728 -8.476 -3.257 541 HE2 TYR 65 HE1 TYR 65 58.879 -5.644 -2.554 542 HH TYR 65 HH TYR 65 57.917 -6.456 -4.766 543 H ASP 66 HN ASP 66 53.468 -7.073 3.169 544 HA ASP 66 HA ASP 66 54.996 -6.778 5.533 545 1HB ASP 66 HB2 ASP 66 52.904 -6.146 6.145 546 2HB ASP 66 HB1 ASP 66 52.267 -6.846 4.663 547 H GLN 67 HN GLN 67 53.470 -9.655 4.117 548 HA GLN 67 HA GLN 67 54.758 -11.361 6.210 549 1HB GLN 67 HB2 GLN 67 52.631 -12.013 4.147 550 2HB GLN 67 HB1 GLN 67 53.076 -12.988 5.548 551 1HG GLN 67 HG2 GLN 67 52.485 -10.783 6.880 552 2HG GLN 67 HG1 GLN 67 51.535 -10.420 5.439 553 1HE2 GLN 67 HE22 GLN 67 49.076 -12.887 6.105 554 2HE2 GLN 67 HE21 GLN 67 49.668 -11.757 4.987 555 H TYR 68 HN TYR 68 55.393 -10.198 3.163 556 HA TYR 68 HA TYR 68 56.934 -10.884 1.505 557 1HB TYR 68 HB2 TYR 68 57.594 -12.204 4.009 558 2HB TYR 68 HB1 TYR 68 58.026 -13.220 2.631 559 HD1 TYR 68 HD1 TYR 68 58.100 -9.548 3.456 560 HD2 TYR 68 HD2 TYR 68 60.189 -12.944 1.859 561 HE1 TYR 68 HE1 TYR 68 60.085 -8.124 3.019 562 HE2 TYR 68 HE2 TYR 68 62.174 -11.521 1.422 563 HH TYR 68 HH TYR 68 63.087 -9.513 1.689 564 H GLY 69 HN GLY 69 54.127 -12.051 1.777 565 1HA GLY 69 HA2 GLY 69 53.134 -13.386 -0.028 566 2HA GLY 69 HA1 GLY 69 54.586 -14.388 -0.021 567 H HIS 70 HN HIS 70 52.014 -15.521 0.219 568 HA HIS 70 HA HIS 70 51.246 -15.980 2.961 569 1HB HIS 70 HB2 HIS 70 49.815 -17.674 1.954 570 2HB HIS 70 HB1 HIS 70 49.857 -16.273 0.879 571 HD1 HIS 70 HD1 HIS 70 51.737 -19.572 1.308 572 HD2 HIS 70 HD2 HIS 70 50.566 -16.938 -1.703 573 HE1 HIS 70 HE1 HIS 70 52.437 -20.632 -0.882 574 H ALA 71 HN ALA 71 53.968 -16.980 1.246 575 HA ALA 71 HA ALA 71 54.324 -19.683 2.109 576 1HB ALA 71 HB2 ALA 71 55.576 -18.060 0.419 577 2HB ALA 71 HB1 ALA 71 56.601 -17.753 1.821 578 3HB ALA 71 HB3 ALA 71 56.443 -19.391 1.186 579 H ALA 72 HN ALA 72 55.156 -16.565 3.623 580 HA ALA 72 HA ALA 72 56.705 -17.485 5.801 581 1HB ALA 72 HB3 ALA 72 54.880 -15.192 5.201 582 2HB ALA 72 HB2 ALA 72 55.402 -15.402 6.873 583 3HB ALA 72 HB1 ALA 72 56.599 -15.177 5.597 584 H PHE 73 HN PHE 73 53.352 -17.975 5.112 585 HA PHE 73 HA PHE 73 52.760 -18.725 7.944 586 1HB PHE 73 HB2 PHE 73 51.324 -17.661 5.628 587 2HB PHE 73 HB1 PHE 73 50.473 -19.017 6.373 588 HD1 PHE 73 HD2 PHE 73 52.753 -16.733 8.185 589 HD2 PHE 73 HD1 PHE 73 48.664 -17.759 7.364 590 HE1 PHE 73 HE2 PHE 73 52.010 -15.252 10.031 591 HE2 PHE 73 HE1 PHE 73 47.922 -16.279 9.209 592 HZ PHE 73 HZ PHE 73 49.595 -15.025 10.542 593 H GLU 74 HN GLU 74 52.541 -20.032 4.616 594 HA GLU 74 HA GLU 74 52.787 -22.778 5.777 595 1HB GLU 74 HB2 GLU 74 50.904 -22.008 3.533 596 2HB GLU 74 HB1 GLU 74 50.937 -23.520 4.440 597 1HG GLU 74 HG2 GLU 74 50.168 -22.433 6.442 598 2HG GLU 74 HG1 GLU 74 50.380 -20.835 5.725 599 H GLN 75 HN GLN 75 53.669 -24.334 4.218 600 HA GLN 75 HA GLN 75 54.667 -23.305 1.634 601 1HB GLN 75 HB2 GLN 75 56.197 -23.337 4.098 602 2HB GLN 75 HB1 GLN 75 56.952 -24.380 2.892 603 1HG GLN 75 HG2 GLN 75 56.905 -22.546 1.254 604 2HG GLN 75 HG1 GLN 75 56.120 -21.499 2.436 605 1HE2 GLN 75 HE22 GLN 75 59.177 -21.502 4.532 606 2HE2 GLN 75 HE21 GLN 75 57.533 -21.862 4.752 607 H GLY 76 HN GLY 76 53.541 -25.063 0.660 608 1HA GLY 76 HA2 GLY 76 54.474 -27.791 1.454 609 2HA GLY 76 HA1 GLY 76 52.921 -27.466 0.681 610 H GLY 77 HN GLY 77 53.976 -25.573 -1.256 611 1HA GLY 77 HA2 GLY 77 55.723 -25.650 -3.040 612 2HA GLY 77 HA1 GLY 77 55.647 -27.409 -2.927 No H/Q in entry = 612 Start of MODEL 20 1 1H ALA 1 HT3 ALA 1 64.966 -15.179 5.964 2 2H ALA 1 HT2 ALA 1 65.050 -15.382 7.648 3 3H ALA 1 HT1 ALA 1 64.042 -14.187 6.982 4 HA ALA 1 HA ALA 1 65.768 -12.826 7.485 5 1HB ALA 1 HB1 ALA 1 67.009 -15.493 7.671 6 2HB ALA 1 HB3 ALA 1 68.135 -14.208 7.231 7 3HB ALA 1 HB2 ALA 1 67.202 -14.092 8.723 8 H LYS 2 HN LYS 2 64.843 -12.353 5.162 9 HA LYS 2 HA LYS 2 67.057 -12.661 3.158 10 1HB LYS 2 HB2 LYS 2 64.580 -13.672 2.972 11 2HB LYS 2 HB1 LYS 2 64.237 -12.047 2.377 12 1HG LYS 2 HG2 LYS 2 66.683 -13.128 1.216 13 2HG LYS 2 HG1 LYS 2 65.288 -14.155 0.880 14 1HD LYS 2 HD2 LYS 2 64.365 -11.523 0.525 15 2HD LYS 2 HD1 LYS 2 65.956 -11.564 -0.237 16 1HE LYS 2 HE2 LYS 2 64.093 -13.855 -0.759 17 2HE LYS 2 HE1 LYS 2 63.808 -12.322 -1.607 18 1HZ LYS 2 HZ3 LYS 2 66.522 -13.470 -1.410 19 2HZ LYS 2 HZ2 LYS 2 65.460 -13.968 -2.640 20 3HZ LYS 2 HZ1 LYS 2 65.928 -12.339 -2.525 21 H GLN 3 HN GLN 3 66.517 -10.767 1.361 22 HA GLN 3 HA GLN 3 66.958 -8.260 2.826 23 1HB GLN 3 HB2 GLN 3 67.752 -9.383 0.415 24 2HB GLN 3 HB1 GLN 3 66.602 -8.141 -0.083 25 1HG GLN 3 HG2 GLN 3 67.995 -6.457 0.509 26 2HG GLN 3 HG1 GLN 3 68.424 -7.236 2.032 27 1HE2 GLN 3 HE22 GLN 3 70.600 -8.281 -1.310 28 2HE2 GLN 3 HE21 GLN 3 68.965 -7.862 -1.490 29 H ASP 4 HN ASP 4 65.148 -7.271 3.628 30 HA ASP 4 HA ASP 4 62.674 -7.228 1.941 31 1HB ASP 4 HB2 ASP 4 62.268 -6.189 4.585 32 2HB ASP 4 HB1 ASP 4 61.605 -7.661 3.889 33 H TYR 5 HN TYR 5 62.417 -5.433 0.827 34 HA TYR 5 HA TYR 5 63.912 -3.070 1.064 35 1HB TYR 5 HB2 TYR 5 61.460 -2.178 0.129 36 2HB TYR 5 HB1 TYR 5 62.757 -2.857 -0.850 37 HD1 TYR 5 HD2 TYR 5 59.793 -3.866 1.168 38 HD2 TYR 5 HD1 TYR 5 62.437 -4.772 -2.080 39 HE1 TYR 5 HE2 TYR 5 58.335 -5.782 0.527 40 HE2 TYR 5 HE1 TYR 5 60.989 -6.691 -2.733 41 HH TYR 5 HH TYR 5 57.948 -7.071 -1.871 42 H TYR 6 HN TYR 6 60.829 -3.907 2.690 43 HA TYR 6 HA TYR 6 60.369 -1.446 4.011 44 1HB TYR 6 HB2 TYR 6 59.940 -4.344 4.676 45 2HB TYR 6 HB1 TYR 6 59.547 -3.101 5.867 46 HD1 TYR 6 HD1 TYR 6 57.849 -1.375 5.384 47 HD2 TYR 6 HD2 TYR 6 58.654 -4.570 2.629 48 HE1 TYR 6 HE1 TYR 6 55.729 -0.883 4.201 49 HE2 TYR 6 HE2 TYR 6 56.534 -4.078 1.445 50 HH TYR 6 HH TYR 6 54.885 -2.528 1.193 51 H GLU 7 HN GLU 7 62.812 -3.876 4.328 52 HA GLU 7 HA GLU 7 63.945 -2.740 6.815 53 1HB GLU 7 HB2 GLU 7 63.828 -5.239 6.022 54 2HB GLU 7 HB1 GLU 7 65.201 -4.804 5.002 55 1HG GLU 7 HG2 GLU 7 66.541 -4.210 6.884 56 2HG GLU 7 HG1 GLU 7 65.151 -4.228 7.969 57 H ILE 8 HN ILE 8 64.471 -2.801 3.303 58 HA ILE 8 HA ILE 8 67.036 -1.752 3.032 59 HB ILE 8 HB ILE 8 64.443 -1.410 1.561 60 1HG1 ILE 8 HG12 ILE 8 65.497 -2.739 -0.081 61 2HG1 ILE 8 HG11 ILE 8 67.112 -2.264 0.436 62 1HG2 ILE 8 HG22 ILE 8 66.950 0.214 1.173 63 2HG2 ILE 8 HG21 ILE 8 65.924 -0.185 -0.206 64 3HG2 ILE 8 HG23 ILE 8 65.269 0.746 1.140 65 1HD1 ILE 8 HD12 ILE 8 66.726 -3.536 2.573 66 2HD1 ILE 8 HD11 ILE 8 65.210 -4.115 1.891 67 3HD1 ILE 8 HD13 ILE 8 66.738 -4.553 1.133 68 H LEU 9 HN LEU 9 64.009 0.005 3.512 69 HA LEU 9 HA LEU 9 65.228 2.648 3.861 70 1HB LEU 9 HB2 LEU 9 62.529 1.355 4.270 71 2HB LEU 9 HB1 LEU 9 62.796 3.077 4.560 72 HG LEU 9 HG LEU 9 63.819 1.998 2.009 73 1HD1 LEU 9 HD12 LEU 9 60.952 1.891 2.809 74 2HD1 LEU 9 HD11 LEU 9 61.315 2.465 1.182 75 3HD1 LEU 9 HD13 LEU 9 61.842 0.861 1.689 76 1HD2 LEU 9 HD21 LEU 9 62.497 4.477 3.056 77 2HD2 LEU 9 HD23 LEU 9 64.040 4.320 2.229 78 3HD2 LEU 9 HD22 LEU 9 62.535 4.189 1.319 79 H GLY 10 HN GLY 10 64.800 -0.105 5.841 80 1HA GLY 10 HA2 GLY 10 65.507 -0.386 8.091 81 2HA GLY 10 HA1 GLY 10 65.673 1.369 8.226 82 H VAL 11 HN VAL 11 62.763 0.278 6.772 83 HA VAL 11 HA VAL 11 61.277 1.132 9.220 84 HB VAL 11 HB VAL 11 59.597 0.556 6.955 85 1HG1 VAL 11 HG11 VAL 11 60.437 3.087 8.365 86 2HG1 VAL 11 HG13 VAL 11 59.145 3.009 7.167 87 3HG1 VAL 11 HG12 VAL 11 59.003 2.111 8.680 88 1HG2 VAL 11 HG23 VAL 11 62.147 1.966 6.314 89 2HG2 VAL 11 HG22 VAL 11 61.127 0.943 5.302 90 3HG2 VAL 11 HG21 VAL 11 60.652 2.605 5.640 91 H SER 12 HN SER 12 59.064 -0.060 9.396 92 HA SER 12 HA SER 12 59.627 -2.923 9.733 93 1HB SER 12 HB2 SER 12 58.442 -1.536 11.423 94 2HB SER 12 HB1 SER 12 57.169 -1.221 10.247 95 HG SER 12 HG SER 12 56.351 -2.973 11.098 96 H LYS 13 HN LYS 13 58.474 -4.586 8.603 97 HA LYS 13 HA LYS 13 57.949 -4.253 5.893 98 1HB LYS 13 HB2 LYS 13 56.943 -6.389 6.016 99 2HB LYS 13 HB1 LYS 13 58.153 -6.345 7.297 100 1HG LYS 13 HG2 LYS 13 56.382 -5.727 8.928 101 2HG LYS 13 HG1 LYS 13 55.181 -5.843 7.641 102 1HD LYS 13 HD2 LYS 13 56.369 -8.253 7.357 103 2HD LYS 13 HD1 LYS 13 56.618 -8.005 9.086 104 1HE LYS 13 HE2 LYS 13 53.897 -7.378 8.028 105 2HE LYS 13 HE1 LYS 13 54.348 -9.091 8.140 106 1HZ LYS 13 HZ1 LYS 13 55.049 -7.328 10.370 107 2HZ LYS 13 HZ3 LYS 13 53.427 -7.799 10.223 108 3HZ LYS 13 HZ2 LYS 13 54.641 -8.977 10.382 109 H THR 14 HN THR 14 56.009 -3.272 8.573 110 HA THR 14 HA THR 14 53.716 -2.676 6.746 111 HB THR 14 HB THR 14 52.338 -3.002 8.622 112 HG1 THR 14 HG1 THR 14 53.187 -2.850 10.750 113 1HG2 THR 14 HG22 THR 14 53.487 -5.111 8.045 114 2HG2 THR 14 HG21 THR 14 54.775 -4.719 9.185 115 3HG2 THR 14 HG23 THR 14 53.142 -5.032 9.774 116 H ALA 15 HN ALA 15 56.407 -1.202 7.680 117 HA ALA 15 HA ALA 15 56.166 1.093 9.091 118 1HB ALA 15 HB2 ALA 15 57.275 0.560 6.365 119 2HB ALA 15 HB1 ALA 15 57.535 2.098 7.187 120 3HB ALA 15 HB3 ALA 15 58.115 0.604 7.916 121 H GLU 16 HN GLU 16 56.161 2.506 6.115 122 HA GLU 16 HA GLU 16 53.529 3.029 5.333 123 1HB GLU 16 HB2 GLU 16 54.298 4.139 7.941 124 2HB GLU 16 HB1 GLU 16 53.674 5.366 6.832 125 1HG GLU 16 HG2 GLU 16 52.132 2.860 6.818 126 2HG GLU 16 HG1 GLU 16 52.114 3.701 8.368 127 H GLU 17 HN GLU 17 53.775 4.208 3.461 128 HA GLU 17 HA GLU 17 56.044 5.064 2.245 129 1HB GLU 17 HB2 GLU 17 54.561 6.825 1.161 130 2HB GLU 17 HB1 GLU 17 53.913 5.186 1.166 131 1HG GLU 17 HG2 GLU 17 52.774 5.874 3.397 132 2HG GLU 17 HG1 GLU 17 53.116 7.528 2.888 133 H ARG 18 HN ARG 18 54.173 7.231 4.403 134 HA ARG 18 HA ARG 18 55.803 9.510 4.266 135 1HB ARG 18 HB2 ARG 18 54.827 9.939 6.552 136 2HB ARG 18 HB1 ARG 18 53.634 9.435 5.355 137 1HG ARG 18 HG2 ARG 18 53.817 7.099 6.166 138 2HG ARG 18 HG1 ARG 18 54.983 7.622 7.378 139 1HD ARG 18 HD2 ARG 18 52.270 8.932 7.220 140 2HD ARG 18 HD1 ARG 18 52.496 7.415 8.113 141 HE ARG 18 HE ARG 18 53.751 10.014 8.787 142 1HH1 ARG 18 HH21 ARG 18 55.985 8.647 9.491 143 2HH1 ARG 18 HH22 ARG 18 55.636 7.767 10.941 144 1HH2 ARG 18 HH11 ARG 18 52.195 8.004 10.570 145 2HH2 ARG 18 HH12 ARG 18 53.488 7.404 11.552 146 H GLU 19 HN GLU 19 56.212 6.691 6.368 147 HA GLU 19 HA GLU 19 58.638 7.813 7.576 148 1HB GLU 19 HB2 GLU 19 58.457 5.615 8.850 149 2HB GLU 19 HB1 GLU 19 57.094 6.702 9.055 150 1HG GLU 19 HG2 GLU 19 55.746 5.423 7.537 151 2HG GLU 19 HG1 GLU 19 57.137 4.481 6.998 152 H ILE 20 HN ILE 20 57.621 5.854 4.971 153 HA ILE 20 HA ILE 20 60.142 4.333 4.723 154 HB ILE 20 HB ILE 20 57.729 4.762 2.928 155 1HG1 ILE 20 HG12 ILE 20 57.475 3.546 5.195 156 2HG1 ILE 20 HG11 ILE 20 56.893 2.702 3.762 157 1HG2 ILE 20 HG22 ILE 20 60.300 3.725 2.332 158 2HG2 ILE 20 HG21 ILE 20 59.197 2.356 2.381 159 3HG2 ILE 20 HG23 ILE 20 58.870 3.711 1.306 160 1HD1 ILE 20 HD11 ILE 20 59.684 2.115 4.147 161 2HD1 ILE 20 HD13 ILE 20 58.805 1.798 5.640 162 3HD1 ILE 20 HD12 ILE 20 58.317 1.004 4.145 163 H ARG 21 HN ARG 21 58.347 6.777 2.838 164 HA ARG 21 HA ARG 21 60.417 7.543 1.058 165 1HB ARG 21 HB2 ARG 21 59.093 9.585 0.841 166 2HB ARG 21 HB1 ARG 21 57.972 8.245 1.089 167 1HG ARG 21 HG2 ARG 21 57.180 9.848 2.608 168 2HG ARG 21 HG1 ARG 21 58.213 8.843 3.624 169 1HD ARG 21 HD2 ARG 21 59.703 10.534 3.974 170 2HD ARG 21 HD1 ARG 21 59.638 11.054 2.279 171 HE ARG 21 HE ARG 21 57.220 11.875 3.035 172 1HH1 ARG 21 HH11 ARG 21 58.581 11.317 5.863 173 2HH1 ARG 21 HH12 ARG 21 58.861 12.956 6.347 174 1HH2 ARG 21 HH21 ARG 21 58.273 14.269 3.190 175 2HH2 ARG 21 HH22 ARG 21 58.691 14.628 4.832 176 H LYS 22 HN LYS 22 59.898 8.059 4.432 177 HA LYS 22 HA LYS 22 61.719 10.270 4.833 178 1HB LYS 22 HB2 LYS 22 59.919 9.913 6.362 179 2HB LYS 22 HB1 LYS 22 60.305 8.201 6.534 180 1HG LYS 22 HG2 LYS 22 61.022 9.763 8.462 181 2HG LYS 22 HG1 LYS 22 62.232 8.645 7.842 182 1HD LYS 22 HD2 LYS 22 63.330 10.765 8.028 183 2HD LYS 22 HD1 LYS 22 63.013 10.546 6.311 184 1HE LYS 22 HE2 LYS 22 61.497 12.262 6.241 185 2HE LYS 22 HE1 LYS 22 60.844 11.877 7.846 186 1HZ LYS 22 HZ2 LYS 22 63.626 12.740 7.723 187 2HZ LYS 22 HZ1 LYS 22 62.454 13.936 7.440 188 3HZ LYS 22 HZ3 LYS 22 62.441 13.067 8.895 189 H ALA 23 HN ALA 23 61.942 6.765 5.606 190 HA ALA 23 HA ALA 23 64.518 6.639 6.668 191 1HB ALA 23 HB2 ALA 23 62.651 4.886 5.201 192 2HB ALA 23 HB1 ALA 23 64.338 4.381 5.090 193 3HB ALA 23 HB3 ALA 23 63.574 4.562 6.669 194 H TYR 24 HN TYR 24 63.649 6.497 3.206 195 HA TYR 24 HA TYR 24 66.343 6.399 2.223 196 1HB TYR 24 HB2 TYR 24 64.123 5.877 1.058 197 2HB TYR 24 HB1 TYR 24 63.859 7.613 0.961 198 HD1 TYR 24 HD2 TYR 24 67.146 5.887 0.640 199 HD2 TYR 24 HD1 TYR 24 63.968 7.944 -1.392 200 HE1 TYR 24 HE2 TYR 24 68.536 6.014 -1.407 201 HE2 TYR 24 HE1 TYR 24 65.359 8.069 -3.441 202 HH TYR 24 HH TYR 24 68.109 6.234 -3.907 203 H LYS 25 HN LYS 25 63.978 8.927 2.829 204 HA LYS 25 HA LYS 25 65.321 11.251 2.059 205 1HB LYS 25 HB2 LYS 25 63.121 10.358 3.617 206 2HB LYS 25 HB1 LYS 25 63.981 11.552 4.583 207 1HG LYS 25 HG2 LYS 25 63.088 13.199 3.332 208 2HG LYS 25 HG1 LYS 25 63.867 12.523 1.900 209 1HD LYS 25 HD2 LYS 25 61.996 11.236 1.327 210 2HD LYS 25 HD1 LYS 25 61.343 11.290 2.964 211 1HE LYS 25 HE2 LYS 25 60.175 12.787 1.208 212 2HE LYS 25 HE1 LYS 25 60.664 13.583 2.717 213 1HZ LYS 25 HZ1 LYS 25 62.709 13.402 0.666 214 2HZ LYS 25 HZ3 LYS 25 61.415 14.433 0.298 215 3HZ LYS 25 HZ2 LYS 25 62.328 14.689 1.708 216 H ARG 26 HN ARG 26 65.359 9.800 5.348 217 HA ARG 26 HA ARG 26 67.399 11.584 6.297 218 1HB ARG 26 HB2 ARG 26 67.422 9.971 8.237 219 2HB ARG 26 HB1 ARG 26 65.843 10.631 7.829 220 1HG ARG 26 HG2 ARG 26 65.977 8.378 6.261 221 2HG ARG 26 HG1 ARG 26 66.787 7.869 7.741 222 1HD ARG 26 HD2 ARG 26 64.578 9.402 8.577 223 2HD ARG 26 HD1 ARG 26 63.973 8.328 7.304 224 HE ARG 26 HE ARG 26 64.627 6.432 8.625 225 1HH1 ARG 26 HH11 ARG 26 66.409 9.111 9.695 226 2HH1 ARG 26 HH12 ARG 26 66.466 8.616 11.353 227 1HH2 ARG 26 HH21 ARG 26 64.321 5.928 10.897 228 2HH2 ARG 26 HH22 ARG 26 65.285 6.810 12.033 229 H LEU 27 HN LEU 27 67.536 8.226 5.079 230 HA LEU 27 HA LEU 27 70.386 7.974 5.672 231 1HB LEU 27 HB2 LEU 27 70.081 5.773 4.974 232 2HB LEU 27 HB1 LEU 27 68.449 6.194 5.488 233 HG LEU 27 HG LEU 27 68.237 6.966 2.948 234 1HD1 LEU 27 HD12 LEU 27 70.628 6.426 2.452 235 2HD1 LEU 27 HD11 LEU 27 70.298 4.740 2.841 236 3HD1 LEU 27 HD13 LEU 27 69.509 5.496 1.458 237 1HD2 LEU 27 HD23 LEU 27 68.015 4.227 4.180 238 2HD2 LEU 27 HD22 LEU 27 66.726 5.336 3.715 239 3HD2 LEU 27 HD21 LEU 27 67.620 4.461 2.478 240 H ALA 28 HN ALA 28 68.402 8.784 2.880 241 HA ALA 28 HA ALA 28 70.624 8.664 1.002 242 1HB ALA 28 HB3 ALA 28 68.142 8.272 0.589 243 2HB ALA 28 HB2 ALA 28 67.926 10.015 0.747 244 3HB ALA 28 HB1 ALA 28 68.920 9.365 -0.556 245 H MET 29 HN MET 29 68.864 11.246 2.722 246 HA MET 29 HA MET 29 70.265 13.439 1.526 247 1HB MET 29 HB2 MET 29 69.488 14.642 3.533 248 2HB MET 29 HB1 MET 29 68.215 13.557 2.974 249 1HG MET 29 HG2 MET 29 68.193 12.880 5.153 250 2HG MET 29 HG1 MET 29 69.568 11.898 4.652 251 1HE MET 29 HE1 MET 29 68.184 13.920 7.097 252 2HE MET 29 HE3 MET 29 69.243 12.659 7.747 253 3HE MET 29 HE2 MET 29 69.542 14.351 8.134 254 H LYS 30 HN LYS 30 71.074 11.068 3.946 255 HA LYS 30 HA LYS 30 73.544 12.463 4.785 256 1HB LYS 30 HB2 LYS 30 71.794 10.285 5.669 257 2HB LYS 30 HB1 LYS 30 73.504 9.887 5.833 258 1HG LYS 30 HG2 LYS 30 73.844 11.446 7.461 259 2HG LYS 30 HG1 LYS 30 72.764 12.617 6.701 260 1HD LYS 30 HD2 LYS 30 70.844 11.658 7.661 261 2HD LYS 30 HD1 LYS 30 71.659 10.128 7.988 262 1HE LYS 30 HE2 LYS 30 73.158 12.055 9.391 263 2HE LYS 30 HE1 LYS 30 71.458 12.467 9.693 264 1HZ LYS 30 HZ2 LYS 30 71.316 9.834 9.822 265 2HZ LYS 30 HZ1 LYS 30 72.919 10.028 10.352 266 3HZ LYS 30 HZ3 LYS 30 71.654 10.790 11.186 267 H TYR 31 HN TYR 31 72.553 10.203 2.359 268 HA TYR 31 HA TYR 31 75.384 9.288 2.029 269 1HB TYR 31 HB2 TYR 31 72.716 8.063 1.756 270 2HB TYR 31 HB1 TYR 31 73.839 7.663 0.452 271 HD1 TYR 31 HD2 TYR 31 76.435 7.748 1.863 272 HD2 TYR 31 HD1 TYR 31 72.659 6.122 3.100 273 HE1 TYR 31 HE2 TYR 31 77.611 6.174 3.370 274 HE2 TYR 31 HE1 TYR 31 73.832 4.547 4.608 275 HH TYR 31 HH TYR 31 77.374 4.635 4.970 276 H HIS 32 HN HIS 32 73.556 11.616 0.937 277 HA HIS 32 HA HIS 32 73.423 11.588 -1.857 278 1HB HIS 32 HB2 HIS 32 73.205 13.952 -1.472 279 2HB HIS 32 HB1 HIS 32 72.621 13.165 -0.017 280 HD1 HIS 32 HD1 HIS 32 74.994 12.505 1.608 281 HD2 HIS 32 HD2 HIS 32 74.848 16.029 -0.615 282 HE1 HIS 32 HE1 HIS 32 76.654 14.095 2.669 283 HA PRO 33 HA PRO 33 77.429 12.262 -3.481 284 1HB PRO 33 HB2 PRO 33 78.076 14.897 -3.892 285 2HB PRO 33 HB1 PRO 33 76.978 13.973 -4.937 286 1HG PRO 33 HG2 PRO 33 76.344 15.891 -2.757 287 2HG PRO 33 HG1 PRO 33 75.562 15.669 -4.328 288 1HD PRO 33 HD2 PRO 33 74.541 14.745 -2.035 289 2HD PRO 33 HD1 PRO 33 74.272 13.927 -3.584 290 H ASP 34 HN ASP 34 77.532 11.792 -0.886 291 HA ASP 34 HA ASP 34 79.682 13.530 0.267 292 1HB ASP 34 HB2 ASP 34 78.395 13.337 2.147 293 2HB ASP 34 HB1 ASP 34 77.252 12.336 1.260 294 H ARG 35 HN ARG 35 78.602 10.245 -0.416 295 HA ARG 35 HA ARG 35 81.438 9.329 -0.557 296 1HB ARG 35 HB2 ARG 35 80.661 7.249 0.572 297 2HB ARG 35 HB1 ARG 35 80.409 8.666 1.592 298 1HG ARG 35 HG2 ARG 35 78.348 7.520 1.728 299 2HG ARG 35 HG1 ARG 35 78.048 8.755 0.508 300 1HD ARG 35 HD2 ARG 35 77.499 7.131 -0.952 301 2HD ARG 35 HD1 ARG 35 79.153 6.501 -0.836 302 HE ARG 35 HE ARG 35 76.834 5.523 0.715 303 1HH1 ARG 35 HH11 ARG 35 79.241 5.858 2.507 304 2HH1 ARG 35 HH12 ARG 35 80.005 4.310 2.364 305 1HH2 ARG 35 HH21 ARG 35 78.256 3.411 -0.492 306 2HH2 ARG 35 HH22 ARG 35 79.445 2.926 0.667 307 H ASN 36 HN ASN 36 78.067 9.126 -1.657 308 HA ASN 36 HA ASN 36 78.014 6.887 -3.288 309 1HB ASN 36 HB2 ASN 36 76.802 9.524 -3.123 310 2HB ASN 36 HB1 ASN 36 76.909 8.977 -4.793 311 1HD2 ASN 36 HD22 ASN 36 74.309 7.164 -2.251 312 2HD2 ASN 36 HD21 ASN 36 75.342 8.399 -1.712 313 H GLN 37 HN GLN 37 79.945 9.768 -3.701 314 HA GLN 37 HA GLN 37 80.569 9.293 -6.509 315 1HB GLN 37 HB2 GLN 37 82.117 10.990 -4.550 316 2HB GLN 37 HB1 GLN 37 81.846 11.276 -6.269 317 1HG GLN 37 HG2 GLN 37 79.273 11.198 -5.316 318 2HG GLN 37 HG1 GLN 37 80.131 11.935 -3.962 319 1HE2 GLN 37 HE22 GLN 37 80.392 13.909 -7.571 320 2HE2 GLN 37 HE21 GLN 37 80.412 12.213 -7.561 321 H GLY 38 HN GLY 38 81.555 7.780 -3.656 322 1HA GLY 38 HA2 GLY 38 84.103 6.912 -4.970 323 2HA GLY 38 HA1 GLY 38 84.022 7.217 -3.235 324 H ASP 39 HN ASP 39 81.334 5.735 -4.903 325 HA ASP 39 HA ASP 39 82.078 2.981 -4.530 326 1HB ASP 39 HB2 ASP 39 81.063 4.543 -2.239 327 2HB ASP 39 HB1 ASP 39 80.224 3.013 -2.497 328 H LYS 40 HN LYS 40 80.914 2.645 -6.486 329 HA LYS 40 HA LYS 40 78.120 3.533 -6.672 330 1HB LYS 40 HB2 LYS 40 80.206 2.327 -8.433 331 2HB LYS 40 HB1 LYS 40 78.524 2.053 -8.885 332 1HG LYS 40 HG2 LYS 40 78.403 4.132 -9.735 333 2HG LYS 40 HG1 LYS 40 78.816 4.807 -8.159 334 1HD LYS 40 HD2 LYS 40 81.014 5.107 -8.712 335 2HD LYS 40 HD1 LYS 40 81.074 3.636 -9.685 336 1HE LYS 40 HE2 LYS 40 80.975 4.974 -11.516 337 2HE LYS 40 HE1 LYS 40 79.302 5.349 -11.057 338 1HZ LYS 40 HZ1 LYS 40 81.669 6.704 -9.883 339 2HZ LYS 40 HZ3 LYS 40 80.802 7.327 -11.200 340 3HZ LYS 40 HZ2 LYS 40 80.035 7.134 -9.697 341 H GLU 41 HN GLU 41 79.960 0.643 -6.171 342 HA GLU 41 HA GLU 41 78.235 -1.480 -6.468 343 1HB GLU 41 HB2 GLU 41 79.373 -2.233 -4.260 344 2HB GLU 41 HB1 GLU 41 80.437 -1.776 -5.594 345 1HG GLU 41 HG2 GLU 41 80.834 0.402 -4.658 346 2HG GLU 41 HG1 GLU 41 79.541 0.199 -3.479 347 H ALA 42 HN ALA 42 78.092 1.078 -4.022 348 HA ALA 42 HA ALA 42 75.852 -0.207 -2.581 349 1HB ALA 42 HB3 ALA 42 77.803 1.106 -1.573 350 2HB ALA 42 HB2 ALA 42 77.043 2.554 -2.230 351 3HB ALA 42 HB1 ALA 42 76.197 1.582 -1.027 352 H GLU 43 HN GLU 43 76.380 2.155 -5.079 353 HA GLU 43 HA GLU 43 74.268 3.919 -5.046 354 1HB GLU 43 HB2 GLU 43 75.968 3.355 -6.898 355 2HB GLU 43 HB1 GLU 43 74.801 2.139 -7.422 356 1HG GLU 43 HG2 GLU 43 73.467 3.686 -8.362 357 2HG GLU 43 HG1 GLU 43 73.515 4.698 -6.919 358 H ALA 44 HN ALA 44 74.105 0.462 -5.774 359 HA ALA 44 HA ALA 44 71.416 0.471 -6.622 360 1HB ALA 44 HB1 ALA 44 73.414 -1.323 -6.578 361 2HB ALA 44 HB3 ALA 44 72.530 -1.884 -5.159 362 3HB ALA 44 HB2 ALA 44 71.731 -1.827 -6.730 363 H LYS 45 HN LYS 45 72.648 -0.701 -3.459 364 HA LYS 45 HA LYS 45 70.205 -0.929 -2.129 365 1HB LYS 45 HB2 LYS 45 72.344 -1.552 -1.138 366 2HB LYS 45 HB1 LYS 45 72.879 0.134 -1.152 367 1HG LYS 45 HG2 LYS 45 71.202 0.759 0.462 368 2HG LYS 45 HG1 LYS 45 70.419 -0.817 0.342 369 1HD LYS 45 HD2 LYS 45 73.228 -1.130 0.982 370 2HD LYS 45 HD1 LYS 45 72.439 -0.075 2.156 371 1HE LYS 45 HE2 LYS 45 71.861 -2.088 3.122 372 2HE LYS 45 HE1 LYS 45 70.554 -2.031 1.923 373 1HZ LYS 45 HZ2 LYS 45 72.186 -3.072 0.339 374 2HZ LYS 45 HZ1 LYS 45 73.183 -3.379 1.680 375 3HZ LYS 45 HZ3 LYS 45 71.643 -4.084 1.592 376 H PHE 46 HN PHE 46 71.996 1.973 -3.020 377 HA PHE 46 HA PHE 46 70.542 3.851 -1.398 378 1HB PHE 46 HB2 PHE 46 71.950 4.195 -4.064 379 2HB PHE 46 HB1 PHE 46 71.545 5.489 -2.943 380 HD1 PHE 46 HD2 PHE 46 72.176 3.119 -0.670 381 HD2 PHE 46 HD1 PHE 46 74.303 5.248 -3.733 382 HE1 PHE 46 HE2 PHE 46 74.304 2.754 0.555 383 HE2 PHE 46 HE1 PHE 46 76.431 4.884 -2.509 384 HZ PHE 46 HZ PHE 46 76.427 3.640 -0.365 385 H LYS 47 HN LYS 47 70.129 2.843 -4.839 386 HA LYS 47 HA LYS 47 67.619 4.416 -4.929 387 1HB LYS 47 HB2 LYS 47 67.998 4.343 -7.182 388 2HB LYS 47 HB1 LYS 47 69.588 3.729 -6.742 389 1HG LYS 47 HG2 LYS 47 67.198 1.930 -7.183 390 2HG LYS 47 HG1 LYS 47 68.334 2.354 -8.463 391 1HD LYS 47 HD2 LYS 47 69.996 1.604 -6.388 392 2HD LYS 47 HD1 LYS 47 68.651 0.471 -6.247 393 1HE LYS 47 HE2 LYS 47 70.345 0.976 -8.717 394 2HE LYS 47 HE1 LYS 47 70.199 -0.537 -7.799 395 1HZ LYS 47 HZ3 LYS 47 67.694 -0.232 -8.237 396 2HZ LYS 47 HZ2 LYS 47 68.188 0.798 -9.495 397 3HZ LYS 47 HZ1 LYS 47 68.666 -0.831 -9.492 398 H GLU 48 HN GLU 48 68.707 1.176 -4.380 399 HA GLU 48 HA GLU 48 66.448 -0.404 -4.979 400 1HB GLU 48 HB2 GLU 48 68.600 -0.351 -2.873 401 2HB GLU 48 HB1 GLU 48 67.307 -1.539 -2.735 402 1HG GLU 48 HG2 GLU 48 68.759 -1.197 -5.342 403 2HG GLU 48 HG1 GLU 48 69.478 -2.166 -4.055 404 H ILE 49 HN ILE 49 67.204 1.813 -2.432 405 HA ILE 49 HA ILE 49 64.986 1.367 -0.667 406 HB ILE 49 HB ILE 49 66.671 3.793 -1.330 407 1HG1 ILE 49 HG12 ILE 49 67.031 2.107 1.098 408 2HG1 ILE 49 HG11 ILE 49 67.585 1.456 -0.444 409 1HG2 ILE 49 HG21 ILE 49 64.790 3.199 0.950 410 2HG2 ILE 49 HG23 ILE 49 66.058 4.420 1.067 411 3HG2 ILE 49 HG22 ILE 49 64.777 4.590 -0.133 412 1HD1 ILE 49 HD11 ILE 49 68.809 3.654 -0.797 413 2HD1 ILE 49 HD13 ILE 49 68.448 4.034 0.884 414 3HD1 ILE 49 HD12 ILE 49 69.449 2.638 0.491 415 H LYS 50 HN LYS 50 65.545 3.601 -3.352 416 HA LYS 50 HA LYS 50 63.042 4.984 -3.235 417 1HB LYS 50 HB2 LYS 50 63.852 5.985 -5.152 418 2HB LYS 50 HB1 LYS 50 65.343 5.192 -4.652 419 1HG LYS 50 HG2 LYS 50 64.373 3.170 -6.056 420 2HG LYS 50 HG1 LYS 50 63.437 4.438 -6.842 421 1HD LYS 50 HD2 LYS 50 66.332 4.991 -6.465 422 2HD LYS 50 HD1 LYS 50 65.918 3.753 -7.653 423 1HE LYS 50 HE2 LYS 50 65.687 5.572 -9.047 424 2HE LYS 50 HE1 LYS 50 64.089 5.687 -8.283 425 1HZ LYS 50 HZ3 LYS 50 65.294 6.956 -6.459 426 2HZ LYS 50 HZ2 LYS 50 66.574 7.121 -7.563 427 3HZ LYS 50 HZ1 LYS 50 65.048 7.773 -7.925 428 H GLU 51 HN GLU 51 63.963 1.861 -4.520 429 HA GLU 51 HA GLU 51 61.602 1.388 -6.124 430 1HB GLU 51 HB2 GLU 51 63.818 0.248 -6.314 431 2HB GLU 51 HB1 GLU 51 63.521 -0.525 -4.756 432 1HG GLU 51 HG2 GLU 51 61.820 -1.877 -5.598 433 2HG GLU 51 HG1 GLU 51 61.467 -0.777 -6.931 434 H ALA 52 HN ALA 52 62.493 0.811 -2.746 435 HA ALA 52 HA ALA 52 60.628 -0.938 -1.736 436 1HB ALA 52 HB2 ALA 52 61.372 1.826 -0.716 437 2HB ALA 52 HB1 ALA 52 60.661 0.552 0.274 438 3HB ALA 52 HB3 ALA 52 62.267 0.336 -0.420 439 H TYR 53 HN TYR 53 60.014 2.408 -2.745 440 HA TYR 53 HA TYR 53 57.346 2.715 -1.912 441 1HB TYR 53 HB2 TYR 53 58.671 3.643 -4.477 442 2HB TYR 53 HB1 TYR 53 57.306 4.418 -3.677 443 HD1 TYR 53 HD1 TYR 53 58.791 3.441 -0.892 444 HD2 TYR 53 HD2 TYR 53 59.727 5.979 -4.226 445 HE1 TYR 53 HE1 TYR 53 60.361 4.709 0.527 446 HE2 TYR 53 HE2 TYR 53 61.299 7.252 -2.808 447 HH TYR 53 HH TYR 53 61.950 7.638 -0.661 448 H GLU 54 HN GLU 54 58.650 1.040 -4.750 449 HA GLU 54 HA GLU 54 56.153 0.584 -6.095 450 1HB GLU 54 HB2 GLU 54 58.433 -1.396 -6.015 451 2HB GLU 54 HB1 GLU 54 57.401 -0.968 -7.378 452 1HG GLU 54 HG2 GLU 54 58.644 1.425 -6.576 453 2HG GLU 54 HG1 GLU 54 59.909 0.195 -6.567 454 H VAL 55 HN VAL 55 57.495 -0.565 -3.165 455 HA VAL 55 HA VAL 55 55.738 -2.916 -3.163 456 HB VAL 55 HB VAL 55 58.345 -2.252 -2.226 457 1HG1 VAL 55 HG12 VAL 55 56.360 -2.889 -0.050 458 2HG1 VAL 55 HG11 VAL 55 58.051 -3.352 0.093 459 3HG1 VAL 55 HG13 VAL 55 57.619 -1.654 -0.066 460 1HG2 VAL 55 HG23 VAL 55 57.205 -4.410 -3.259 461 2HG2 VAL 55 HG22 VAL 55 58.635 -4.540 -2.241 462 3HG2 VAL 55 HG21 VAL 55 57.039 -4.858 -1.562 463 H LEU 56 HN LEU 56 56.657 -0.320 -0.897 464 HA LEU 56 HA LEU 56 54.256 -0.708 0.724 465 1HB LEU 56 HB2 LEU 56 55.237 1.310 1.902 466 2HB LEU 56 HB1 LEU 56 56.316 -0.082 1.765 467 HG LEU 56 HG LEU 56 56.611 1.482 -0.600 468 1HD1 LEU 56 HD12 LEU 56 55.650 3.312 0.800 469 2HD1 LEU 56 HD11 LEU 56 56.963 3.072 1.949 470 3HD1 LEU 56 HD13 LEU 56 57.315 3.618 0.309 471 1HD2 LEU 56 HD23 LEU 56 58.318 0.854 1.816 472 2HD2 LEU 56 HD22 LEU 56 58.365 0.088 0.232 473 3HD2 LEU 56 HD21 LEU 56 58.942 1.743 0.426 474 H THR 57 HN THR 57 55.195 1.647 -1.798 475 HA THR 57 HA THR 57 52.776 3.248 -1.206 476 HB THR 57 HB THR 57 53.687 4.806 -2.760 477 HG1 THR 57 HG1 THR 57 55.553 4.010 -4.072 478 1HG2 THR 57 HG23 THR 57 55.807 3.346 -1.204 479 2HG2 THR 57 HG22 THR 57 56.243 4.711 -2.225 480 3HG2 THR 57 HG21 THR 57 55.106 4.931 -0.900 481 H ASP 58 HN ASP 58 52.909 0.357 -2.299 482 HA ASP 58 HA ASP 58 50.850 0.740 -4.410 483 1HB ASP 58 HB2 ASP 58 53.538 -0.235 -4.704 484 2HB ASP 58 HB1 ASP 58 52.424 -1.578 -4.976 485 H SER 59 HN SER 59 49.104 -0.099 -3.522 486 HA SER 59 HA SER 59 48.913 -1.703 -1.318 487 1HB SER 59 HB2 SER 59 47.138 -1.769 -3.761 488 2HB SER 59 HB1 SER 59 46.652 -2.204 -2.125 489 HG SER 59 HG SER 59 46.303 -0.166 -1.813 490 H GLN 60 HN GLN 60 49.942 -2.716 -4.461 491 HA GLN 60 HA GLN 60 49.248 -5.471 -4.409 492 1HB GLN 60 HB2 GLN 60 51.450 -3.807 -5.620 493 2HB GLN 60 HB1 GLN 60 51.402 -5.551 -5.875 494 1HG GLN 60 HG2 GLN 60 50.048 -5.030 -7.627 495 2HG GLN 60 HG1 GLN 60 48.803 -4.868 -6.388 496 1HE2 GLN 60 HE22 GLN 60 50.614 -1.352 -7.501 497 2HE2 GLN 60 HE21 GLN 60 51.568 -2.731 -7.238 498 H LYS 61 HN LYS 61 52.442 -4.062 -3.584 499 HA LYS 61 HA LYS 61 53.305 -6.518 -2.258 500 1HB LYS 61 HB2 LYS 61 54.670 -3.863 -2.037 501 2HB LYS 61 HB1 LYS 61 55.382 -5.465 -2.184 502 1HG LYS 61 HG2 LYS 61 54.054 -3.821 -4.347 503 2HG LYS 61 HG1 LYS 61 55.704 -4.421 -4.303 504 1HD LYS 61 HD2 LYS 61 53.181 -6.071 -4.627 505 2HD LYS 61 HD1 LYS 61 54.467 -5.843 -5.810 506 1HE LYS 61 HE2 LYS 61 56.041 -7.081 -4.455 507 2HE LYS 61 HE1 LYS 61 54.895 -7.149 -3.102 508 1HZ LYS 61 HZ2 LYS 61 54.015 -8.088 -5.738 509 2HZ LYS 61 HZ1 LYS 61 55.025 -9.103 -4.823 510 3HZ LYS 61 HZ3 LYS 61 53.531 -8.602 -4.193 511 H ARG 62 HN ARG 62 52.715 -3.171 -1.058 512 HA ARG 62 HA ARG 62 53.264 -3.569 1.645 513 1HB ARG 62 HB2 ARG 62 51.776 -1.684 2.005 514 2HB ARG 62 HB1 ARG 62 52.575 -1.460 0.449 515 1HG ARG 62 HG2 ARG 62 50.659 -2.082 -0.763 516 2HG ARG 62 HG1 ARG 62 49.910 -2.848 0.632 517 1HD ARG 62 HD2 ARG 62 50.357 0.132 0.254 518 2HD ARG 62 HD1 ARG 62 48.797 -0.713 0.260 519 HE ARG 62 HE ARG 62 49.995 -1.472 2.650 520 1HH1 ARG 62 HH11 ARG 62 51.059 1.443 2.072 521 2HH1 ARG 62 HH12 ARG 62 49.993 2.337 3.104 522 1HH2 ARG 62 HH21 ARG 62 47.797 -0.310 3.565 523 2HH2 ARG 62 HH22 ARG 62 48.143 1.342 3.950 524 H ALA 63 HN ALA 63 50.521 -4.736 -0.189 525 HA ALA 63 HA ALA 63 49.054 -5.591 2.229 526 1HB ALA 63 HB1 ALA 63 48.178 -4.718 -0.094 527 2HB ALA 63 HB3 ALA 63 48.448 -6.381 -0.617 528 3HB ALA 63 HB2 ALA 63 47.323 -6.040 0.699 529 H ALA 64 HN ALA 64 51.397 -6.770 0.000 530 HA ALA 64 HA ALA 64 50.891 -9.622 0.588 531 1HB ALA 64 HB3 ALA 64 51.918 -8.151 -1.532 532 2HB ALA 64 HB2 ALA 64 53.363 -8.846 -0.798 533 3HB ALA 64 HB1 ALA 64 52.059 -9.900 -1.348 534 H TYR 65 HN TYR 65 53.423 -7.154 1.156 535 HA TYR 65 HA TYR 65 55.175 -8.847 2.672 536 1HB TYR 65 HB2 TYR 65 54.963 -6.155 1.754 537 2HB TYR 65 HB1 TYR 65 55.313 -6.102 3.487 538 HD1 TYR 65 HD1 TYR 65 56.340 -8.174 0.520 539 HD2 TYR 65 HD2 TYR 65 57.563 -6.077 4.063 540 HE1 TYR 65 HE1 TYR 65 58.698 -8.801 0.075 541 HE2 TYR 65 HE2 TYR 65 59.921 -6.703 3.620 542 HH TYR 65 HH TYR 65 60.790 -9.055 1.280 543 H ASP 66 HN ASP 66 52.415 -6.800 3.615 544 HA ASP 66 HA ASP 66 52.688 -6.675 6.387 545 1HB ASP 66 HB2 ASP 66 50.223 -6.632 6.393 546 2HB ASP 66 HB1 ASP 66 50.843 -5.737 5.005 547 H GLN 67 HN GLN 67 52.118 -9.499 4.407 548 HA GLN 67 HA GLN 67 51.795 -11.174 6.879 549 1HB GLN 67 HB2 GLN 67 50.684 -11.262 4.085 550 2HB GLN 67 HB1 GLN 67 50.829 -12.763 4.999 551 1HG GLN 67 HG2 GLN 67 49.292 -12.089 6.612 552 2HG GLN 67 HG1 GLN 67 49.567 -10.375 6.304 553 1HE2 GLN 67 HE22 GLN 67 47.581 -11.989 3.143 554 2HE2 GLN 67 HE21 GLN 67 49.144 -12.510 3.551 555 H TYR 68 HN TYR 68 54.076 -10.233 4.728 556 HA TYR 68 HA TYR 68 56.125 -11.152 4.016 557 1HB TYR 68 HB2 TYR 68 55.242 -12.639 6.446 558 2HB TYR 68 HB1 TYR 68 56.595 -13.321 5.536 559 HD1 TYR 68 HD2 TYR 68 58.056 -11.073 4.520 560 HD2 TYR 68 HD1 TYR 68 56.066 -11.486 8.304 561 HE1 TYR 68 HE2 TYR 68 59.579 -9.381 5.504 562 HE2 TYR 68 HE1 TYR 68 57.587 -9.793 9.289 563 HH TYR 68 HH TYR 68 60.392 -8.640 7.604 564 H GLY 69 HN GLY 69 53.479 -12.110 2.854 565 1HA GLY 69 HA2 GLY 69 53.359 -13.498 0.856 566 2HA GLY 69 HA1 GLY 69 54.587 -14.553 1.559 567 H HIS 70 HN HIS 70 51.985 -15.379 0.557 568 HA HIS 70 HA HIS 70 50.071 -15.790 2.635 569 1HB HIS 70 HB2 HIS 70 49.413 -17.718 1.068 570 2HB HIS 70 HB1 HIS 70 49.478 -16.110 0.339 571 HD1 HIS 70 HD1 HIS 70 51.902 -19.022 0.881 572 HD2 HIS 70 HD2 HIS 70 50.997 -16.105 -1.957 573 HE1 HIS 70 HE1 HIS 70 53.444 -19.433 -1.088 574 H ALA 71 HN ALA 71 53.200 -17.100 2.233 575 HA ALA 71 HA ALA 71 52.998 -19.746 3.184 576 1HB ALA 71 HB3 ALA 71 55.028 -17.529 3.407 577 2HB ALA 71 HB2 ALA 71 55.339 -19.098 4.148 578 3HB ALA 71 HB1 ALA 71 55.090 -18.980 2.407 579 H ALA 72 HN ALA 72 53.023 -16.681 4.984 580 HA ALA 72 HA ALA 72 53.194 -17.819 7.616 581 1HB ALA 72 HB1 ALA 72 52.161 -15.236 6.429 582 2HB ALA 72 HB3 ALA 72 52.146 -15.524 8.169 583 3HB ALA 72 HB2 ALA 72 53.675 -15.508 7.292 584 H PHE 73 HN PHE 73 50.712 -17.913 5.289 585 HA PHE 73 HA PHE 73 48.738 -18.714 7.398 586 1HB PHE 73 HB2 PHE 73 48.586 -16.756 5.143 587 2HB PHE 73 HB1 PHE 73 47.129 -17.684 5.520 588 HD1 PHE 73 HD2 PHE 73 46.006 -17.455 7.683 589 HD2 PHE 73 HD1 PHE 73 49.529 -15.178 6.755 590 HE1 PHE 73 HE2 PHE 73 45.566 -15.977 9.627 591 HE2 PHE 73 HE1 PHE 73 49.086 -13.702 8.699 592 HZ PHE 73 HZ PHE 73 47.106 -14.102 10.134 593 H GLU 74 HN GLU 74 50.577 -19.798 4.913 594 HA GLU 74 HA GLU 74 50.456 -21.738 3.565 595 1HB GLU 74 HB2 GLU 74 47.903 -22.284 5.095 596 2HB GLU 74 HB1 GLU 74 49.040 -23.457 4.428 597 1HG GLU 74 HG2 GLU 74 49.751 -21.488 6.619 598 2HG GLU 74 HG1 GLU 74 49.235 -23.148 6.921 599 H GLN 75 HN GLN 75 49.293 -22.533 1.686 600 HA GLN 75 HA GLN 75 47.447 -20.543 0.533 601 1HB GLN 75 HB2 GLN 75 48.917 -23.010 -0.403 602 2HB GLN 75 HB1 GLN 75 47.723 -22.216 -1.432 603 1HG GLN 75 HG2 GLN 75 49.029 -20.354 -1.750 604 2HG GLN 75 HG1 GLN 75 49.773 -20.471 -0.154 605 1HE2 GLN 75 HE22 GLN 75 51.482 -22.383 -3.334 606 2HE2 GLN 75 HE21 GLN 75 49.955 -21.656 -3.491 607 H GLY 76 HN GLY 76 45.324 -21.139 -0.280 608 1HA GLY 76 HA2 GLY 76 44.239 -23.758 0.583 609 2HA GLY 76 HA1 GLY 76 43.479 -22.317 1.258 610 H GLY 77 HN GLY 77 41.963 -24.037 -0.302 611 1HA GLY 77 HA2 GLY 77 41.194 -22.233 -2.490 612 2HA GLY 77 HA1 GLY 77 41.740 -23.829 -3.009 No H/Q in entry = 612
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