NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
582035 | 2mre | 25070 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -2 HT1 GLY -2 -0.948 4.090 -0.118 2 H2 GLY -2 HT2 GLY -2 -2.188 3.047 -0.599 3 H3 GLY -2 HT3 GLY -2 -1.382 3.984 -1.747 4 HA2 GLY -2 HA1 GLY -2 -0.218 1.774 -0.150 5 HA3 GLY -2 HA2 GLY -2 -0.623 1.709 -1.860 6 H SER -1 HN SER -1 0.321 4.567 -2.137 7 HA SER -1 HA SER -1 3.160 4.046 -2.556 8 HB2 SER -1 HB2 SER -1 1.493 6.529 -3.185 9 HB3 SER -1 HB1 SER -1 3.117 6.177 -3.787 10 HG SER -1 HG SER -1 1.038 4.345 -4.251 11 H HIS 0 HN HIS 0 4.498 6.265 -2.069 12 HA HIS 0 HA HIS 0 3.731 7.431 0.510 13 HB2 HIS 0 HB2 HIS 0 5.813 6.984 1.604 14 HB3 HIS 0 HB1 HIS 0 5.271 5.449 0.964 15 HD1 HIS 0 HD1 HIS 0 8.013 7.962 0.693 16 HD2 HIS 0 HD2 HIS 0 6.937 4.363 -1.074 17 HE1 HIS 0 HE1 HIS 0 10.035 7.210 -0.578 18 HE2 HIS 0 HE2 HIS 0 9.417 4.942 -1.468 19 H MET 1 HN MET 1 3.679 9.540 0.131 20 HA MET 1 HA MET 1 5.670 10.829 -1.653 21 HB2 MET 1 HB2 MET 1 3.141 12.089 -0.521 22 HB3 MET 1 HB1 MET 1 4.161 12.718 -1.804 23 HG2 MET 1 HG2 MET 1 2.425 10.248 -1.988 24 HG3 MET 1 HG1 MET 1 2.064 11.835 -2.672 25 HE1 MET 1 HE1 MET 1 1.685 10.862 -5.102 26 HE2 MET 1 HE2 MET 1 1.931 9.245 -4.440 27 HE3 MET 1 HE3 MET 1 2.807 9.749 -5.886 28 H GLN 2 HN GLN 2 6.717 12.724 -0.858 29 HA GLN 2 HA GLN 2 7.199 12.535 2.036 30 HB2 GLN 2 HB2 GLN 2 8.978 13.442 -0.233 31 HB3 GLN 2 HB1 GLN 2 9.341 13.870 1.434 32 HG2 GLN 2 HG2 GLN 2 10.618 11.947 1.081 33 HG3 GLN 2 HG1 GLN 2 9.215 11.347 1.945 34 HE21 GLN 2 HE21 GLN 2 10.853 11.460 -1.117 35 HE22 GLN 2 HE22 GLN 2 10.000 10.157 -1.842 36 H ILE 3 HN ILE 3 6.725 14.109 3.374 37 HA ILE 3 HA ILE 3 6.306 16.871 2.393 38 HB ILE 3 HB ILE 3 4.541 17.187 4.211 39 HG12 ILE 3 HG12 ILE 3 5.060 14.991 5.445 40 HG13 ILE 3 HG11 ILE 3 3.357 15.351 5.202 41 HG21 ILE 3 HG21 ILE 3 2.672 16.342 2.842 42 HG22 ILE 3 HG22 ILE 3 3.805 15.380 1.893 43 HG23 ILE 3 HG23 ILE 3 3.913 17.141 1.871 44 HD11 ILE 3 HD11 ILE 3 3.267 13.732 3.367 45 HD12 ILE 3 HD12 ILE 3 3.846 12.991 4.857 46 HD13 ILE 3 HD13 ILE 3 4.988 13.391 3.577 47 H PHE 4 HN PHE 4 6.842 18.512 3.863 48 HA PHE 4 HA PHE 4 8.986 17.711 5.745 49 HB2 PHE 4 HB2 PHE 4 8.550 20.377 4.310 50 HB3 PHE 4 HB1 PHE 4 9.938 19.951 5.307 51 HD1 PHE 4 HD1 PHE 4 11.376 17.930 4.545 52 HD2 PHE 4 HD2 PHE 4 8.609 19.935 1.965 53 HE1 PHE 4 HE1 PHE 4 12.531 17.011 2.580 54 HE2 PHE 4 HE2 PHE 4 9.779 19.010 0.003 55 HZ PHE 4 HZ PHE 4 11.737 17.546 0.311 56 H VAL 5 HN VAL 5 8.011 17.533 7.703 57 HA VAL 5 HA VAL 5 6.250 19.697 8.690 58 HB VAL 5 HB VAL 5 6.729 16.855 9.741 59 HG11 VAL 5 HG11 VAL 5 4.883 17.328 11.344 60 HG12 VAL 5 HG12 VAL 5 4.826 19.005 10.793 61 HG13 VAL 5 HG13 VAL 5 6.263 18.392 11.610 62 HG21 VAL 5 HG21 VAL 5 4.267 18.108 8.421 63 HG22 VAL 5 HG22 VAL 5 4.373 16.460 9.045 64 HG23 VAL 5 HG23 VAL 5 5.365 16.949 7.672 65 H LYS 6 HN LYS 6 7.533 21.234 9.463 66 HA LYS 6 HA LYS 6 10.137 20.604 10.664 67 HB2 LYS 6 HB2 LYS 6 9.828 22.181 8.651 68 HB3 LYS 6 HB1 LYS 6 9.101 23.321 9.784 69 HG2 LYS 6 HG2 LYS 6 11.159 23.523 11.022 70 HG3 LYS 6 HG1 LYS 6 11.898 22.193 10.118 71 HD2 LYS 6 HD2 LYS 6 11.631 23.609 8.020 72 HD3 LYS 6 HD1 LYS 6 11.157 24.950 9.070 73 HE2 LYS 6 HE2 LYS 6 13.328 24.833 10.212 74 HE3 LYS 6 HE1 LYS 6 13.790 23.456 9.208 75 HZ1 LYS 6 HZ1 LYS 6 13.659 24.871 7.263 76 HZ2 LYS 6 HZ2 LYS 6 14.743 25.508 8.387 77 HZ3 LYS 6 HZ3 LYS 6 13.207 26.193 8.213 78 H THR 7 HN THR 7 10.388 20.773 12.788 79 HA THR 7 HA THR 7 8.355 21.534 14.579 80 HB THR 7 HB THR 7 10.157 21.224 16.350 81 HG1 THR 7 HG1 THR 7 12.175 20.409 15.560 82 HG21 THR 7 HG21 THR 7 8.826 19.301 15.711 83 HG22 THR 7 HG22 THR 7 10.504 18.792 15.923 84 HG23 THR 7 HG23 THR 7 9.843 19.011 14.302 85 H LEU 8 HN LEU 8 8.618 23.059 16.373 86 HA LEU 8 HA LEU 8 9.297 25.716 15.651 87 HB2 LEU 8 HB2 LEU 8 8.875 24.536 18.421 88 HB3 LEU 8 HB1 LEU 8 8.864 26.249 18.029 89 HG LEU 8 HG LEU 8 6.817 24.190 17.120 90 HD11 LEU 8 HD11 LEU 8 6.604 24.750 19.484 91 HD12 LEU 8 HD12 LEU 8 5.247 25.392 18.563 92 HD13 LEU 8 HD13 LEU 8 6.539 26.473 19.093 93 HD21 LEU 8 HD21 LEU 8 6.861 27.174 16.549 94 HD22 LEU 8 HD22 LEU 8 5.537 26.068 16.172 95 HD23 LEU 8 HD23 LEU 8 7.094 25.881 15.368 96 H THR 9 HN THR 9 11.221 23.071 16.814 97 HA THR 9 HA THR 9 13.422 24.722 17.793 98 HB THR 9 HB THR 9 14.605 22.483 18.040 99 HG1 THR 9 HG1 THR 9 13.533 20.635 17.545 100 HG21 THR 9 HG21 THR 9 11.881 22.691 19.389 101 HG22 THR 9 HG22 THR 9 13.374 23.442 19.956 102 HG23 THR 9 HG23 THR 9 13.225 21.686 19.936 103 H GLY 10 HN GLY 10 12.275 24.056 14.775 104 HA2 GLY 10 HA2 GLY 10 13.139 24.883 12.798 105 HA3 GLY 10 HA1 GLY 10 14.702 25.075 13.571 106 H LYS 11 HN LYS 11 13.476 21.976 14.060 107 HA LYS 11 HA LYS 11 15.293 20.810 12.066 108 HB2 LYS 11 HB2 LYS 11 15.790 19.640 13.946 109 HB3 LYS 11 HB1 LYS 11 14.281 20.038 14.748 110 HG2 LYS 11 HG2 LYS 11 13.157 18.216 13.560 111 HG3 LYS 11 HG1 LYS 11 14.662 17.809 12.711 112 HD2 LYS 11 HD2 LYS 11 15.724 17.296 14.921 113 HD3 LYS 11 HD1 LYS 11 14.204 17.687 15.728 114 HE2 LYS 11 HE2 LYS 11 14.444 15.276 15.538 115 HE3 LYS 11 HE1 LYS 11 13.106 15.822 14.525 116 HZ1 LYS 11 HZ1 LYS 11 15.845 15.211 13.569 117 HZ2 LYS 11 HZ2 LYS 11 14.541 15.682 12.605 118 HZ3 LYS 11 HZ3 LYS 11 14.502 14.198 13.409 119 H THR 12 HN THR 12 14.612 19.532 10.409 120 HA THR 12 HA THR 12 11.736 19.720 9.720 121 HB THR 12 HB THR 12 14.085 19.137 7.866 122 HG1 THR 12 HG1 THR 12 14.236 21.274 7.514 123 HG21 THR 12 HG21 THR 12 11.884 18.417 6.966 124 HG22 THR 12 HG22 THR 12 12.518 19.790 6.061 125 HG23 THR 12 HG23 THR 12 11.233 20.034 7.246 126 H ILE 13 HN ILE 13 10.534 17.935 9.750 127 HA ILE 13 HA ILE 13 11.774 15.249 9.737 128 HB ILE 13 HB ILE 13 9.098 16.113 10.890 129 HG12 ILE 13 HG12 ILE 13 10.347 15.078 13.034 130 HG13 ILE 13 HG11 ILE 13 11.790 15.443 12.103 131 HG21 ILE 13 HG21 ILE 13 8.858 13.784 11.691 132 HG22 ILE 13 HG22 ILE 13 10.318 13.334 10.807 133 HG23 ILE 13 HG23 ILE 13 8.888 13.876 9.931 134 HD11 ILE 13 HD11 ILE 13 9.694 17.438 12.927 135 HD12 ILE 13 HD12 ILE 13 11.176 17.791 12.033 136 HD13 ILE 13 HD13 ILE 13 11.266 17.195 13.690 137 H THR 14 HN THR 14 11.756 14.411 7.764 138 HA THR 14 HA THR 14 9.659 14.967 5.815 139 HB THR 14 HB THR 14 12.147 13.203 5.625 140 HG1 THR 14 HG1 THR 14 11.600 15.910 4.974 141 HG21 THR 14 HG21 THR 14 11.805 13.315 3.162 142 HG22 THR 14 HG22 THR 14 10.303 14.203 3.407 143 HG23 THR 14 HG23 THR 14 10.435 12.529 3.949 144 H LEU 15 HN LEU 15 7.829 13.767 5.818 145 HA LEU 15 HA LEU 15 7.822 10.992 6.865 146 HB2 LEU 15 HB2 LEU 15 5.401 12.748 6.245 147 HB3 LEU 15 HB1 LEU 15 5.383 11.172 7.015 148 HG LEU 15 HG LEU 15 5.030 12.693 8.780 149 HD11 LEU 15 HD11 LEU 15 8.005 12.142 8.850 150 HD12 LEU 15 HD12 LEU 15 6.735 11.002 9.306 151 HD13 LEU 15 HD13 LEU 15 6.950 12.487 10.226 152 HD21 LEU 15 HD21 LEU 15 7.330 14.383 7.764 153 HD22 LEU 15 HD22 LEU 15 6.346 14.703 9.196 154 HD23 LEU 15 HD23 LEU 15 5.613 14.756 7.595 155 H GLU 16 HN GLU 16 6.379 9.474 5.663 156 HA GLU 16 HA GLU 16 6.563 9.861 2.729 157 HB2 GLU 16 HB2 GLU 16 7.254 7.372 4.355 158 HB3 GLU 16 HB1 GLU 16 7.229 7.448 2.596 159 HG2 GLU 16 HG2 GLU 16 9.083 9.022 2.588 160 HG3 GLU 16 HG1 GLU 16 9.058 9.114 4.348 161 H VAL 17 HN VAL 17 4.279 10.547 3.109 162 HA VAL 17 HA VAL 17 2.410 8.251 3.183 163 HB VAL 17 HB VAL 17 0.882 9.210 4.706 164 HG11 VAL 17 HG11 VAL 17 3.571 10.011 5.859 165 HG12 VAL 17 HG12 VAL 17 2.836 8.407 5.942 166 HG13 VAL 17 HG13 VAL 17 2.080 9.767 6.775 167 HG21 VAL 17 HG21 VAL 17 2.285 11.887 4.409 168 HG22 VAL 17 HG22 VAL 17 0.965 11.570 5.537 169 HG23 VAL 17 HG23 VAL 17 0.685 11.443 3.799 170 H GLU 18 HN GLU 18 0.137 9.138 2.494 171 HA GLU 18 HA GLU 18 0.469 10.423 -0.104 172 HB2 GLU 18 HB2 GLU 18 -2.147 9.494 1.137 173 HB3 GLU 18 HB1 GLU 18 -1.727 9.573 -0.566 174 HG2 GLU 18 HG2 GLU 18 -0.191 7.698 1.209 175 HG3 GLU 18 HG1 GLU 18 -1.830 7.282 0.768 176 HA PRO 19 HA PRO 19 -1.273 14.431 1.356 177 HB2 PRO 19 HB2 PRO 19 -2.525 15.211 -1.020 178 HB3 PRO 19 HB1 PRO 19 -0.824 15.504 -0.639 179 HG2 PRO 19 HG2 PRO 19 -2.043 13.314 -2.303 180 HG3 PRO 19 HG1 PRO 19 -0.566 14.256 -2.595 181 HD2 PRO 19 HD2 PRO 19 -0.462 11.731 -1.630 182 HD3 PRO 19 HD1 PRO 19 0.702 12.967 -1.104 183 H SER 20 HN SER 20 -3.119 11.916 -0.301 184 HA SER 20 HA SER 20 -5.679 12.841 0.858 185 HB2 SER 20 HB2 SER 20 -5.583 12.360 -1.600 186 HB3 SER 20 HB1 SER 20 -5.152 10.689 -1.245 187 HG SER 20 HG SER 20 -7.190 10.494 -0.177 188 H ASP 21 HN ASP 21 -3.298 11.314 2.203 189 HA ASP 21 HA ASP 21 -4.417 8.779 3.002 190 HB2 ASP 21 HB2 ASP 21 -1.921 9.376 2.937 191 HB3 ASP 21 HB1 ASP 21 -2.162 10.283 4.411 192 H THR 22 HN THR 22 -3.313 10.891 5.565 193 HA THR 22 HA THR 22 -5.571 12.209 6.396 194 HB THR 22 HB THR 22 -6.618 9.992 6.853 195 HG1 THR 22 HG1 THR 22 -7.055 11.840 8.221 196 HG21 THR 22 HG21 THR 22 -4.418 9.576 8.905 197 HG22 THR 22 HG22 THR 22 -4.601 8.667 7.403 198 HG23 THR 22 HG23 THR 22 -5.825 8.541 8.669 199 H ILE 23 HN ILE 23 -5.184 13.367 8.334 200 HA ILE 23 HA ILE 23 -2.483 14.035 8.821 201 HB ILE 23 HB ILE 23 -4.979 14.751 10.423 202 HG12 ILE 23 HG12 ILE 23 -5.154 15.527 8.075 203 HG13 ILE 23 HG11 ILE 23 -4.975 16.898 9.161 204 HG21 ILE 23 HG21 ILE 23 -3.689 16.653 11.326 205 HG22 ILE 23 HG22 ILE 23 -2.246 16.082 10.487 206 HG23 ILE 23 HG23 ILE 23 -2.965 15.110 11.768 207 HD11 ILE 23 HD11 ILE 23 -2.803 15.702 7.444 208 HD12 ILE 23 HD12 ILE 23 -2.616 17.081 8.531 209 HD13 ILE 23 HD13 ILE 23 -3.685 17.196 7.134 210 H GLU 24 HN GLU 24 -4.853 12.062 10.567 211 HA GLU 24 HA GLU 24 -3.610 11.563 13.002 212 HB2 GLU 24 HB2 GLU 24 -5.894 10.807 12.419 213 HB3 GLU 24 HB1 GLU 24 -5.234 9.640 11.279 214 HG2 GLU 24 HG2 GLU 24 -4.132 8.459 13.183 215 HG3 GLU 24 HG1 GLU 24 -4.889 9.597 14.297 216 H ASN 25 HN ASN 25 -3.105 10.057 9.877 217 HA ASN 25 HA ASN 25 -1.249 8.049 10.710 218 HB2 ASN 25 HB2 ASN 25 -2.644 7.980 8.627 219 HB3 ASN 25 HB1 ASN 25 -1.658 9.253 7.942 220 HD21 ASN 25 HD21 ASN 25 0.371 8.748 7.152 221 HD22 ASN 25 HD22 ASN 25 0.952 7.132 7.001 222 H VAL 26 HN VAL 26 -0.979 11.258 9.227 223 HA VAL 26 HA VAL 26 1.765 11.343 8.685 224 HB VAL 26 HB VAL 26 0.022 13.732 9.489 225 HG11 VAL 26 HG11 VAL 26 1.631 15.122 8.195 226 HG12 VAL 26 HG12 VAL 26 2.644 13.700 7.931 227 HG13 VAL 26 HG13 VAL 26 2.409 14.327 9.564 228 HG21 VAL 26 HG21 VAL 26 -0.950 12.496 7.597 229 HG22 VAL 26 HG22 VAL 26 0.572 12.616 6.718 230 HG23 VAL 26 HG23 VAL 26 -0.355 14.073 7.078 231 H LYS 27 HN LYS 27 0.044 12.425 11.617 232 HA LYS 27 HA LYS 27 2.333 13.359 13.012 233 HB2 LYS 27 HB2 LYS 27 0.846 13.486 14.980 234 HB3 LYS 27 HB1 LYS 27 0.145 14.219 13.547 235 HG2 LYS 27 HG2 LYS 27 -1.263 12.194 13.231 236 HG3 LYS 27 HG1 LYS 27 -0.593 11.530 14.724 237 HD2 LYS 27 HD2 LYS 27 -2.750 12.537 15.210 238 HD3 LYS 27 HD1 LYS 27 -1.484 13.498 15.974 239 HE2 LYS 27 HE2 LYS 27 -1.615 15.053 13.960 240 HE3 LYS 27 HE1 LYS 27 -3.046 14.153 13.462 241 HZ1 LYS 27 HZ1 LYS 27 -3.653 16.124 14.699 242 HZ2 LYS 27 HZ2 LYS 27 -2.729 15.619 16.025 243 HZ3 LYS 27 HZ3 LYS 27 -4.097 14.739 15.567 244 H ALA 28 HN ALA 28 0.642 10.253 12.967 245 HA ALA 28 HA ALA 28 2.132 8.867 14.924 246 HB1 ALA 28 HB1 ALA 28 0.056 8.002 13.898 247 HB2 ALA 28 HB2 ALA 28 1.366 6.830 13.765 248 HB3 ALA 28 HB3 ALA 28 0.897 7.791 12.358 249 H LYS 29 HN LYS 29 2.891 9.729 11.588 250 HA LYS 29 HA LYS 29 5.240 8.076 11.437 251 HB2 LYS 29 HB2 LYS 29 4.382 10.298 9.552 252 HB3 LYS 29 HB1 LYS 29 5.629 9.093 9.241 253 HG2 LYS 29 HG2 LYS 29 2.654 8.656 9.483 254 HG3 LYS 29 HG1 LYS 29 3.663 8.439 8.057 255 HD2 LYS 29 HD2 LYS 29 4.726 6.485 9.031 256 HD3 LYS 29 HD1 LYS 29 3.929 6.761 10.584 257 HE2 LYS 29 HE2 LYS 29 1.742 6.345 9.556 258 HE3 LYS 29 HE1 LYS 29 2.514 6.105 7.989 259 HZ1 LYS 29 HZ1 LYS 29 2.914 4.430 10.406 260 HZ2 LYS 29 HZ2 LYS 29 3.713 4.211 8.937 261 HZ3 LYS 29 HZ3 LYS 29 2.042 3.995 9.028 262 H ILE 30 HN ILE 30 4.706 11.530 12.316 263 HA ILE 30 HA ILE 30 7.460 12.250 12.396 264 HB ILE 30 HB ILE 30 5.105 13.281 14.037 265 HG12 ILE 30 HG12 ILE 30 5.875 15.498 12.792 266 HG13 ILE 30 HG11 ILE 30 6.718 14.395 11.715 267 HG21 ILE 30 HG21 ILE 30 7.970 14.268 14.306 268 HG22 ILE 30 HG22 ILE 30 7.010 13.468 15.552 269 HG23 ILE 30 HG23 ILE 30 6.548 15.070 14.984 270 HD11 ILE 30 HD11 ILE 30 4.588 13.350 11.144 271 HD12 ILE 30 HD12 ILE 30 4.590 15.083 10.817 272 HD13 ILE 30 HD13 ILE 30 3.755 14.457 12.239 273 H GLN 31 HN GLN 31 5.339 10.675 14.745 274 HA GLN 31 HA GLN 31 7.171 10.105 16.799 275 HB2 GLN 31 HB2 GLN 31 4.735 9.833 17.005 276 HB3 GLN 31 HB1 GLN 31 4.751 8.540 15.814 277 HG2 GLN 31 HG2 GLN 31 6.093 7.154 17.386 278 HG3 GLN 31 HG1 GLN 31 5.994 8.450 18.577 279 HE21 GLN 31 HE21 GLN 31 3.329 7.495 16.437 280 HE22 GLN 31 HE22 GLN 31 2.307 6.901 17.696 281 H ASP 32 HN ASP 32 6.523 8.446 13.751 282 HA ASP 32 HA ASP 32 8.197 6.172 14.173 283 HB2 ASP 32 HB2 ASP 32 6.381 6.067 12.563 284 HB3 ASP 32 HB1 ASP 32 7.036 7.421 11.656 285 H LYS 33 HN LYS 33 8.894 9.463 13.169 286 HA LYS 33 HA LYS 33 11.490 8.715 11.981 287 HB2 LYS 33 HB2 LYS 33 10.049 11.393 12.077 288 HB3 LYS 33 HB1 LYS 33 11.613 11.137 11.311 289 HG2 LYS 33 HG2 LYS 33 9.051 9.739 10.491 290 HG3 LYS 33 HG1 LYS 33 9.682 11.193 9.720 291 HD2 LYS 33 HD2 LYS 33 11.654 10.003 8.951 292 HD3 LYS 33 HD1 LYS 33 11.195 8.557 9.863 293 HE2 LYS 33 HE2 LYS 33 9.165 8.334 8.433 294 HE3 LYS 33 HE1 LYS 33 9.683 9.741 7.503 295 HZ1 LYS 33 HZ1 LYS 33 11.668 8.538 6.860 296 HZ2 LYS 33 HZ2 LYS 33 10.288 7.670 6.414 297 HZ3 LYS 33 HZ3 LYS 33 11.188 7.196 7.762 298 H GLU 34 HN GLU 34 10.473 11.406 14.203 299 HA GLU 34 HA GLU 34 13.181 11.494 15.255 300 HB2 GLU 34 HB2 GLU 34 12.498 13.510 16.486 301 HB3 GLU 34 HB1 GLU 34 12.129 13.629 14.774 302 HG2 GLU 34 HG2 GLU 34 9.765 13.295 15.193 303 HG3 GLU 34 HG1 GLU 34 10.076 12.937 16.893 304 H GLY 35 HN GLY 35 10.092 10.252 16.289 305 HA2 GLY 35 HA2 GLY 35 9.896 8.487 17.845 306 HA3 GLY 35 HA1 GLY 35 11.407 8.972 18.597 307 H ILE 36 HN ILE 36 8.902 11.317 17.877 308 HA ILE 36 HA ILE 36 8.242 11.538 20.763 309 HB ILE 36 HB ILE 36 8.526 13.686 18.627 310 HG12 ILE 36 HG12 ILE 36 9.765 14.869 20.548 311 HG13 ILE 36 HG11 ILE 36 9.610 13.383 21.470 312 HG21 ILE 36 HG21 ILE 36 7.441 15.353 20.126 313 HG22 ILE 36 HG22 ILE 36 6.957 14.043 21.211 314 HG23 ILE 36 HG23 ILE 36 6.307 14.116 19.574 315 HD11 ILE 36 HD11 ILE 36 11.105 13.694 18.871 316 HD12 ILE 36 HD12 ILE 36 10.993 12.217 19.832 317 HD13 ILE 36 HD13 ILE 36 11.814 13.632 20.483 318 HA PRO 37 HA PRO 37 4.334 9.903 19.422 319 HB2 PRO 37 HB2 PRO 37 2.844 10.258 21.681 320 HB3 PRO 37 HB1 PRO 37 4.163 9.081 21.602 321 HG2 PRO 37 HG2 PRO 37 4.209 11.896 22.704 322 HG3 PRO 37 HG1 PRO 37 4.809 10.396 23.452 323 HD2 PRO 37 HD2 PRO 37 6.481 12.101 22.179 324 HD3 PRO 37 HD1 PRO 37 6.732 10.346 22.108 325 HA PRO 38 HA PRO 38 1.798 13.204 17.767 326 HB2 PRO 38 HB2 PRO 38 -0.713 12.028 17.742 327 HB3 PRO 38 HB1 PRO 38 0.559 11.687 16.565 328 HG2 PRO 38 HG2 PRO 38 -0.188 10.146 19.042 329 HG3 PRO 38 HG1 PRO 38 0.173 9.537 17.410 330 HD2 PRO 38 HD2 PRO 38 2.016 9.430 19.358 331 HD3 PRO 38 HD1 PRO 38 2.487 9.807 17.686 332 H ASP 39 HN ASP 39 1.229 12.012 20.924 333 HA ASP 39 HA ASP 39 -0.691 13.979 21.778 334 HB2 ASP 39 HB2 ASP 39 -0.385 11.840 22.993 335 HB3 ASP 39 HB1 ASP 39 1.272 12.285 23.392 336 H GLN 40 HN GLN 40 2.851 13.727 21.767 337 HA GLN 40 HA GLN 40 3.219 16.223 23.257 338 HB2 GLN 40 HB2 GLN 40 4.890 13.847 22.613 339 HB3 GLN 40 HB1 GLN 40 5.765 15.359 22.641 340 HG2 GLN 40 HG2 GLN 40 5.786 14.075 24.793 341 HG3 GLN 40 HG1 GLN 40 5.245 15.746 24.924 342 HE21 GLN 40 HE21 GLN 40 4.174 12.394 24.949 343 HE22 GLN 40 HE22 GLN 40 2.684 12.691 25.774 344 H GLN 41 HN GLN 41 3.129 15.261 20.012 345 HA GLN 41 HA GLN 41 4.241 17.876 19.173 346 HB2 GLN 41 HB2 GLN 41 4.631 16.825 16.964 347 HB3 GLN 41 HB1 GLN 41 5.517 16.045 18.258 348 HG2 GLN 41 HG2 GLN 41 4.819 14.201 17.106 349 HG3 GLN 41 HG1 GLN 41 3.478 14.359 18.224 350 HE21 GLN 41 HE21 GLN 41 4.510 14.895 14.944 351 HE22 GLN 41 HE22 GLN 41 2.947 14.939 14.238 352 H ARG 42 HN ARG 42 3.041 19.095 17.573 353 HA ARG 42 HA ARG 42 0.214 18.336 17.175 354 HB2 ARG 42 HB2 ARG 42 0.690 19.994 19.141 355 HB3 ARG 42 HB1 ARG 42 1.026 21.181 17.891 356 HG2 ARG 42 HG2 ARG 42 -1.244 21.064 17.063 357 HG3 ARG 42 HG1 ARG 42 -1.600 19.674 18.095 358 HD2 ARG 42 HD2 ARG 42 -1.089 21.168 20.083 359 HD3 ARG 42 HD1 ARG 42 -1.082 22.526 18.955 360 HE ARG 42 HE ARG 42 -3.471 21.283 18.481 361 HH11 ARG 42 HH11 ARG 42 -2.024 22.763 21.333 362 HH12 ARG 42 HH12 ARG 42 -3.549 23.076 22.095 363 HH21 ARG 42 HH21 ARG 42 -5.451 21.702 19.492 364 HH22 ARG 42 HH22 ARG 42 -5.489 22.469 21.048 365 H LEU 43 HN LEU 43 -0.597 18.852 15.197 366 HA LEU 43 HA LEU 43 1.332 19.703 13.149 367 HB2 LEU 43 HB2 LEU 43 -1.163 18.005 13.170 368 HB3 LEU 43 HB1 LEU 43 -0.749 18.811 11.675 369 HG LEU 43 HG LEU 43 0.054 16.489 11.702 370 HD11 LEU 43 HD11 LEU 43 2.346 16.906 10.971 371 HD12 LEU 43 HD12 LEU 43 2.328 18.495 11.745 372 HD13 LEU 43 HD13 LEU 43 1.259 18.164 10.381 373 HD21 LEU 43 HD21 LEU 43 1.862 15.789 13.201 374 HD22 LEU 43 HD22 LEU 43 0.415 16.228 14.104 375 HD23 LEU 43 HD23 LEU 43 1.785 17.341 14.043 376 H ILE 44 HN ILE 44 1.231 21.680 12.286 377 HA ILE 44 HA ILE 44 -1.332 23.068 11.917 378 HB ILE 44 HB ILE 44 1.059 24.281 13.390 379 HG12 ILE 44 HG12 ILE 44 -1.858 24.053 14.284 380 HG13 ILE 44 HG11 ILE 44 -0.613 22.894 14.722 381 HG21 ILE 44 HG21 ILE 44 -0.204 26.431 13.453 382 HG22 ILE 44 HG22 ILE 44 -1.418 25.740 12.374 383 HG23 ILE 44 HG23 ILE 44 0.237 25.970 11.810 384 HD11 ILE 44 HD11 ILE 44 -1.076 24.441 16.500 385 HD12 ILE 44 HD12 ILE 44 -0.629 25.800 15.467 386 HD13 ILE 44 HD13 ILE 44 0.583 24.598 15.930 387 H PHE 45 HN PHE 45 -1.438 23.815 9.890 388 HA PHE 45 HA PHE 45 1.020 24.570 8.394 389 HB2 PHE 45 HB2 PHE 45 0.080 22.542 7.401 390 HB3 PHE 45 HB1 PHE 45 -1.534 23.235 7.388 391 HD1 PHE 45 HD1 PHE 45 1.869 23.593 5.862 392 HD2 PHE 45 HD2 PHE 45 -2.307 24.460 5.473 393 HE1 PHE 45 HE1 PHE 45 2.241 24.366 3.557 394 HE2 PHE 45 HE2 PHE 45 -1.922 25.230 3.168 395 HZ PHE 45 HZ PHE 45 0.346 25.184 2.206 396 H ALA 46 HN ALA 46 1.045 26.711 7.948 397 HA ALA 46 HA ALA 46 0.476 28.833 7.401 398 HB1 ALA 46 HB1 ALA 46 -0.559 27.765 5.434 399 HB2 ALA 46 HB2 ALA 46 -1.461 29.200 5.920 400 HB3 ALA 46 HB3 ALA 46 -2.079 27.591 6.313 401 H GLY 47 HN GLY 47 -0.550 27.566 10.033 402 HA2 GLY 47 HA2 GLY 47 -1.193 28.832 11.925 403 HA3 GLY 47 HA1 GLY 47 -2.147 29.890 10.899 404 H LYS 48 HN LYS 48 -2.981 26.962 9.769 405 HA LYS 48 HA LYS 48 -5.325 26.703 11.535 406 HB2 LYS 48 HB2 LYS 48 -6.438 25.620 9.731 407 HB3 LYS 48 HB1 LYS 48 -5.483 26.860 8.936 408 HG2 LYS 48 HG2 LYS 48 -3.725 24.923 8.617 409 HG3 LYS 48 HG1 LYS 48 -5.090 23.867 8.939 410 HD2 LYS 48 HD2 LYS 48 -4.923 24.024 6.568 411 HD3 LYS 48 HD1 LYS 48 -6.302 25.024 7.020 412 HE2 LYS 48 HE2 LYS 48 -5.051 27.044 6.664 413 HE3 LYS 48 HE1 LYS 48 -3.530 26.154 6.529 414 HZ1 LYS 48 HZ1 LYS 48 -4.335 25.138 4.501 415 HZ2 LYS 48 HZ2 LYS 48 -4.392 26.826 4.365 416 HZ3 LYS 48 HZ3 LYS 48 -5.812 25.951 4.637 417 H GLN 49 HN GLN 49 -5.546 24.952 12.930 418 HA GLN 49 HA GLN 49 -3.425 23.028 13.235 419 HB2 GLN 49 HB2 GLN 49 -4.732 23.634 15.230 420 HB3 GLN 49 HB1 GLN 49 -6.218 23.069 14.473 421 HG2 GLN 49 HG2 GLN 49 -5.116 20.740 14.378 422 HG3 GLN 49 HG1 GLN 49 -3.875 21.393 15.435 423 HE21 GLN 49 HE21 GLN 49 -7.304 20.651 15.171 424 HE22 GLN 49 HE22 GLN 49 -7.598 20.520 16.867 425 H LEU 50 HN LEU 50 -3.338 20.949 12.531 426 HA LEU 50 HA LEU 50 -5.221 20.148 10.471 427 HB2 LEU 50 HB2 LEU 50 -2.686 18.740 11.313 428 HB3 LEU 50 HB1 LEU 50 -3.573 18.552 9.811 429 HG LEU 50 HG LEU 50 -1.855 20.907 10.666 430 HD11 LEU 50 HD11 LEU 50 -1.622 18.988 8.352 431 HD12 LEU 50 HD12 LEU 50 -0.626 19.022 9.810 432 HD13 LEU 50 HD13 LEU 50 -0.561 20.363 8.670 433 HD21 LEU 50 HD21 LEU 50 -3.615 20.777 8.194 434 HD22 LEU 50 HD22 LEU 50 -2.426 22.029 8.556 435 HD23 LEU 50 HD23 LEU 50 -3.844 21.847 9.582 436 H GLU 51 HN GLU 51 -6.949 19.095 11.138 437 HA GLU 51 HA GLU 51 -7.211 17.671 13.606 438 HB2 GLU 51 HB2 GLU 51 -9.088 18.937 12.709 439 HB3 GLU 51 HB1 GLU 51 -9.046 18.032 11.201 440 HG2 GLU 51 HG2 GLU 51 -9.743 15.986 12.425 441 HG3 GLU 51 HG1 GLU 51 -9.820 16.920 13.914 442 H ASP 52 HN ASP 52 -7.333 15.491 13.942 443 HA ASP 52 HA ASP 52 -5.720 13.737 12.530 444 HB2 ASP 52 HB2 ASP 52 -7.984 13.165 14.482 445 HB3 ASP 52 HB1 ASP 52 -6.895 11.915 13.888 446 H GLY 53 HN GLY 53 -9.268 14.006 12.439 447 HA2 GLY 53 HA2 GLY 53 -9.768 11.714 10.846 448 HA3 GLY 53 HA1 GLY 53 -10.889 13.025 11.156 449 H ARG 54 HN ARG 54 -8.915 14.988 9.977 450 HA ARG 54 HA ARG 54 -9.871 14.805 7.233 451 HB2 ARG 54 HB2 ARG 54 -8.249 16.927 8.681 452 HB3 ARG 54 HB1 ARG 54 -8.815 17.080 7.017 453 HG2 ARG 54 HG2 ARG 54 -11.185 16.820 7.922 454 HG3 ARG 54 HG1 ARG 54 -10.504 16.925 9.540 455 HD2 ARG 54 HD2 ARG 54 -9.607 19.114 9.062 456 HD3 ARG 54 HD1 ARG 54 -10.162 19.049 7.397 457 HE ARG 54 HE ARG 54 -12.170 18.910 9.538 458 HH11 ARG 54 HH11 ARG 54 -10.692 20.748 6.921 459 HH12 ARG 54 HH12 ARG 54 -11.819 22.061 7.042 460 HH21 ARG 54 HH21 ARG 54 -13.623 20.675 9.701 461 HH22 ARG 54 HH22 ARG 54 -13.471 22.017 8.613 462 H THR 55 HN THR 55 -8.194 15.676 5.530 463 HA THR 55 HA THR 55 -5.775 13.949 5.643 464 HB THR 55 HB THR 55 -5.850 14.004 3.128 465 HG1 THR 55 HG1 THR 55 -8.328 14.666 2.628 466 HG21 THR 55 HG21 THR 55 -7.745 12.466 2.829 467 HG22 THR 55 HG22 THR 55 -8.400 12.947 4.394 468 HG23 THR 55 HG23 THR 55 -6.858 12.095 4.310 469 H LEU 56 HN LEU 56 -3.919 14.774 4.320 470 HA LEU 56 HA LEU 56 -3.070 17.380 4.963 471 HB2 LEU 56 HB2 LEU 56 -2.168 15.499 2.743 472 HB3 LEU 56 HB1 LEU 56 -1.354 17.017 3.079 473 HG LEU 56 HG LEU 56 -1.577 14.711 5.066 474 HD11 LEU 56 HD11 LEU 56 -0.204 14.050 3.140 475 HD12 LEU 56 HD12 LEU 56 0.793 14.262 4.577 476 HD13 LEU 56 HD13 LEU 56 0.785 15.504 3.321 477 HD21 LEU 56 HD21 LEU 56 0.122 17.235 5.174 478 HD22 LEU 56 HD22 LEU 56 0.136 15.920 6.353 479 HD23 LEU 56 HD23 LEU 56 -1.307 16.908 6.156 480 H SER 57 HN SER 57 -4.374 16.041 1.948 481 HA SER 57 HA SER 57 -4.306 18.275 0.288 482 HB2 SER 57 HB2 SER 57 -4.646 15.960 -0.525 483 HB3 SER 57 HB1 SER 57 -6.239 15.901 0.233 484 HG SER 57 HG SER 57 -7.038 17.160 -1.304 485 H ASP 58 HN ASP 58 -6.634 17.335 2.771 486 HA ASP 58 HA ASP 58 -8.876 18.921 2.055 487 HB2 ASP 58 HB2 ASP 58 -8.923 17.112 3.776 488 HB3 ASP 58 HB1 ASP 58 -7.877 18.064 4.817 489 H TYR 59 HN TYR 59 -6.059 19.508 4.098 490 HA TYR 59 HA TYR 59 -6.880 22.211 4.776 491 HB2 TYR 59 HB2 TYR 59 -4.705 20.332 5.696 492 HB3 TYR 59 HB1 TYR 59 -4.604 22.042 6.091 493 HD1 TYR 59 HD2 TYR 59 -6.998 23.017 6.972 494 HD2 TYR 59 HD1 TYR 59 -5.637 18.993 7.412 495 HE1 TYR 59 HE2 TYR 59 -8.415 22.770 8.945 496 HE2 TYR 59 HE1 TYR 59 -7.073 18.748 9.388 497 HH TYR 59 HH TYR 59 -8.058 20.483 11.170 498 H ASN 60 HN ASN 60 -5.813 21.310 1.976 499 HA ASN 60 HA ASN 60 -4.829 22.345 0.221 500 HB2 ASN 60 HB2 ASN 60 -4.299 24.638 2.159 501 HB3 ASN 60 HB1 ASN 60 -3.919 24.708 0.443 502 HD21 ASN 60 HD21 ASN 60 -6.860 23.314 1.930 503 HD22 ASN 60 HD22 ASN 60 -7.949 24.422 1.186 504 H ILE 61 HN ILE 61 -3.383 20.628 2.170 505 HA ILE 61 HA ILE 61 -0.559 21.397 1.770 506 HB ILE 61 HB ILE 61 -1.628 18.997 3.311 507 HG12 ILE 61 HG12 ILE 61 -0.847 21.612 4.650 508 HG13 ILE 61 HG11 ILE 61 -2.500 21.290 4.141 509 HG21 ILE 61 HG21 ILE 61 0.547 19.044 4.485 510 HG22 ILE 61 HG22 ILE 61 1.062 20.415 3.500 511 HG23 ILE 61 HG23 ILE 61 0.759 18.849 2.744 512 HD11 ILE 61 HD11 ILE 61 -2.628 19.374 5.600 513 HD12 ILE 61 HD12 ILE 61 -2.125 20.807 6.500 514 HD13 ILE 61 HD13 ILE 61 -0.933 19.584 6.065 515 H GLN 62 HN GLN 62 0.350 20.617 -0.024 516 HA GLN 62 HA GLN 62 -0.554 18.078 -1.230 517 HB2 GLN 62 HB2 GLN 62 0.678 18.770 -3.228 518 HB3 GLN 62 HB1 GLN 62 -0.448 20.033 -2.753 519 HG2 GLN 62 HG2 GLN 62 1.304 21.436 -1.921 520 HG3 GLN 62 HG1 GLN 62 2.482 20.126 -1.983 521 HE21 GLN 62 HE21 GLN 62 3.386 19.550 -3.960 522 HE22 GLN 62 HE22 GLN 62 3.275 20.555 -5.363 523 H LYS 63 HN LYS 63 1.450 16.912 -2.308 524 HA LYS 63 HA LYS 63 3.283 16.092 -0.329 525 HB2 LYS 63 HB2 LYS 63 4.530 14.992 -2.155 526 HB3 LYS 63 HB1 LYS 63 2.823 14.612 -2.215 527 HG2 LYS 63 HG2 LYS 63 2.533 16.255 -4.051 528 HG3 LYS 63 HG1 LYS 63 4.273 16.572 -4.014 529 HD2 LYS 63 HD2 LYS 63 2.927 13.914 -4.631 530 HD3 LYS 63 HD1 LYS 63 3.756 14.958 -5.787 531 HE2 LYS 63 HE2 LYS 63 5.223 13.846 -3.384 532 HE3 LYS 63 HE1 LYS 63 5.017 12.901 -4.830 533 HZ1 LYS 63 HZ1 LYS 63 6.122 14.668 -6.088 534 HZ2 LYS 63 HZ2 LYS 63 7.113 14.034 -4.878 535 HZ3 LYS 63 HZ3 LYS 63 6.366 15.533 -4.653 536 H GLU 64 HN GLU 64 5.330 16.646 0.059 537 HA GLU 64 HA GLU 64 7.140 17.895 0.422 538 HB2 GLU 64 HB2 GLU 64 6.805 18.686 -2.495 539 HB3 GLU 64 HB1 GLU 64 8.256 18.981 -1.535 540 HG2 GLU 64 HG2 GLU 64 8.577 16.561 -1.241 541 HG3 GLU 64 HG1 GLU 64 7.102 16.239 -2.149 542 H SER 65 HN SER 65 4.309 19.143 0.709 543 HA SER 65 HA SER 65 4.915 21.958 0.867 544 HB2 SER 65 HB2 SER 65 2.842 20.322 2.390 545 HB3 SER 65 HB1 SER 65 2.903 22.083 2.318 546 HG SER 65 HG SER 65 2.888 21.457 -0.133 547 H THR 66 HN THR 66 5.752 23.117 2.591 548 HA THR 66 HA THR 66 6.769 21.637 4.926 549 HB THR 66 HB THR 66 7.486 24.459 4.020 550 HG1 THR 66 HG1 THR 66 8.223 22.291 2.908 551 HG21 THR 66 HG21 THR 66 8.728 22.718 6.194 552 HG22 THR 66 HG22 THR 66 7.759 24.168 6.472 553 HG23 THR 66 HG23 THR 66 9.323 24.295 5.670 554 H LEU 67 HN LEU 67 5.786 21.822 6.770 555 HA LEU 67 HA LEU 67 4.024 24.087 7.431 556 HB2 LEU 67 HB2 LEU 67 2.501 22.439 8.579 557 HB3 LEU 67 HB1 LEU 67 2.464 22.373 6.831 558 HG LEU 67 HG LEU 67 4.177 20.400 8.373 559 HD11 LEU 67 HD11 LEU 67 2.321 18.819 8.445 560 HD12 LEU 67 HD12 LEU 67 1.226 20.040 7.787 561 HD13 LEU 67 HD13 LEU 67 1.947 20.262 9.383 562 HD21 LEU 67 HD21 LEU 67 2.750 20.180 5.691 563 HD22 LEU 67 HD22 LEU 67 3.768 18.941 6.430 564 HD23 LEU 67 HD23 LEU 67 4.478 20.470 5.924 565 H HIS 68 HN HIS 68 3.493 23.885 9.902 566 HA HIS 68 HA HIS 68 6.083 23.596 11.282 567 HB2 HIS 68 HB2 HIS 68 3.611 25.232 11.983 568 HB3 HIS 68 HB1 HIS 68 5.033 25.100 13.023 569 HD1 HIS 68 HD1 HIS 68 3.719 27.513 10.978 570 HD2 HIS 68 HD2 HIS 68 7.451 25.694 11.010 571 HE1 HIS 68 HE1 HIS 68 5.256 29.111 9.806 572 HE2 HIS 68 HE2 HIS 68 7.538 28.081 10.029 573 H LEU 69 HN LEU 69 6.248 22.699 13.297 574 HA LEU 69 HA LEU 69 4.148 20.821 14.206 575 HB2 LEU 69 HB2 LEU 69 6.047 19.763 12.840 576 HB3 LEU 69 HB1 LEU 69 7.150 20.262 14.095 577 HG LEU 69 HG LEU 69 6.515 17.831 14.151 578 HD11 LEU 69 HD11 LEU 69 6.279 17.615 16.528 579 HD12 LEU 69 HD12 LEU 69 5.695 19.273 16.675 580 HD13 LEU 69 HD13 LEU 69 7.357 18.961 16.178 581 HD21 LEU 69 HD21 LEU 69 3.772 18.827 14.965 582 HD22 LEU 69 HD22 LEU 69 4.315 17.149 14.972 583 HD23 LEU 69 HD23 LEU 69 4.184 18.020 13.448 584 H VAL 70 HN VAL 70 3.676 21.249 16.254 585 HA VAL 70 HA VAL 70 5.445 22.925 17.890 586 HB VAL 70 HB VAL 70 2.504 22.197 18.263 587 HG11 VAL 70 HG11 VAL 70 4.236 24.103 19.897 588 HG12 VAL 70 HG12 VAL 70 3.580 22.562 20.446 589 HG13 VAL 70 HG13 VAL 70 2.492 23.895 20.075 590 HG21 VAL 70 HG21 VAL 70 3.809 24.800 17.348 591 HG22 VAL 70 HG22 VAL 70 2.084 24.560 17.624 592 HG23 VAL 70 HG23 VAL 70 2.896 23.679 16.334 593 H LEU 71 HN LEU 71 6.816 21.810 19.060 594 HA LEU 71 HA LEU 71 6.299 19.214 20.218 595 HB2 LEU 71 HB2 LEU 71 8.539 21.234 20.656 596 HB3 LEU 71 HB1 LEU 71 8.510 19.608 21.325 597 HG LEU 71 HG LEU 71 8.563 20.258 18.357 598 HD11 LEU 71 HD11 LEU 71 10.878 19.453 18.398 599 HD12 LEU 71 HD12 LEU 71 10.795 19.261 20.150 600 HD13 LEU 71 HD13 LEU 71 10.673 20.867 19.426 601 HD21 LEU 71 HD21 LEU 71 8.980 17.839 18.049 602 HD22 LEU 71 HD22 LEU 71 7.413 18.136 18.794 603 HD23 LEU 71 HD23 LEU 71 8.763 17.577 19.783 604 H ARG 72 HN ARG 72 5.949 18.759 22.358 605 HA ARG 72 HA ARG 72 5.060 20.961 24.125 606 HB2 ARG 72 HB2 ARG 72 3.711 18.255 23.758 607 HB3 ARG 72 HB1 ARG 72 3.211 19.507 24.890 608 HG2 ARG 72 HG2 ARG 72 2.622 20.994 23.010 609 HG3 ARG 72 HG1 ARG 72 3.159 19.764 21.861 610 HD2 ARG 72 HD2 ARG 72 0.722 19.709 22.067 611 HD3 ARG 72 HD1 ARG 72 1.412 18.216 22.721 612 HE ARG 72 HE ARG 72 0.862 20.382 24.609 613 HH11 ARG 72 HH11 ARG 72 -0.190 17.273 23.356 614 HH12 ARG 72 HH12 ARG 72 -1.319 17.013 24.643 615 HH21 ARG 72 HH21 ARG 72 -0.653 20.023 26.260 616 HH22 ARG 72 HH22 ARG 72 -1.594 18.567 26.268 617 H LEU 73 HN LEU 73 6.242 17.610 23.914 618 HA LEU 73 HA LEU 73 7.258 16.212 25.391 619 HB2 LEU 73 HB2 LEU 73 8.705 18.834 25.857 620 HB3 LEU 73 HB1 LEU 73 9.196 17.386 26.711 621 HG LEU 73 HG LEU 73 10.667 17.707 24.814 622 HD11 LEU 73 HD11 LEU 73 10.146 15.387 25.374 623 HD12 LEU 73 HD12 LEU 73 10.470 15.572 23.654 624 HD13 LEU 73 HD13 LEU 73 8.808 15.387 24.220 625 HD21 LEU 73 HD21 LEU 73 9.908 17.738 22.477 626 HD22 LEU 73 HD22 LEU 73 9.240 19.089 23.389 627 HD23 LEU 73 HD23 LEU 73 8.223 17.697 23.012 628 H ARG 74 HN ARG 74 4.782 17.066 26.319 629 HA ARG 74 HA ARG 74 4.726 18.079 28.960 630 HB2 ARG 74 HB2 ARG 74 2.639 16.386 27.528 631 HB3 ARG 74 HB1 ARG 74 2.360 17.288 29.010 632 HG2 ARG 74 HG2 ARG 74 3.092 18.556 26.356 633 HG3 ARG 74 HG1 ARG 74 1.443 18.350 26.933 634 HD2 ARG 74 HD2 ARG 74 2.010 20.599 27.400 635 HD3 ARG 74 HD1 ARG 74 2.114 19.774 28.954 636 HE ARG 74 HE ARG 74 4.456 20.530 27.279 637 HH11 ARG 74 HH11 ARG 74 3.030 20.103 30.461 638 HH12 ARG 74 HH12 ARG 74 4.441 20.655 31.291 639 HH21 ARG 74 HH21 ARG 74 6.295 21.214 28.391 640 HH22 ARG 74 HH22 ARG 74 6.286 21.292 30.127 641 H GLY 75 HN GLY 75 5.087 14.846 27.661 642 HA2 GLY 75 HA2 GLY 75 4.564 13.252 29.903 643 HA3 GLY 75 HA1 GLY 75 5.647 12.836 28.584 644 H GLY 76 HN GLY 76 7.418 15.146 29.088 645 HA2 GLY 76 HA2 GLY 76 8.693 16.071 30.933 646 HA3 GLY 76 HA1 GLY 76 8.597 14.520 31.747 647 H1 GLY 195 HN GLY 195 16.894 16.594 27.610 648 HA2 GLY 195 HA2 GLY 195 16.654 15.939 30.447 649 HA3 GLY 195 HA1 GLY 195 18.256 15.713 29.748 650 H SER 196 HN SER 196 16.097 18.191 28.602 651 HA SER 196 HA SER 196 17.905 20.317 29.461 652 HB2 SER 196 HB2 SER 196 15.389 20.442 27.733 653 HB3 SER 196 HB1 SER 196 16.542 21.758 27.981 654 HG SER 196 HG SER 196 16.950 20.643 26.036 655 H ARG 197 HN ARG 197 17.608 20.730 31.607 656 HA ARG 197 HA ARG 197 14.962 20.897 32.826 657 HB2 ARG 197 HB2 ARG 197 17.775 21.220 33.936 658 HB3 ARG 197 HB1 ARG 197 16.362 21.633 34.893 659 HG2 ARG 197 HG2 ARG 197 17.085 19.427 35.519 660 HG3 ARG 197 HG1 ARG 197 15.548 19.287 34.669 661 HD2 ARG 197 HD2 ARG 197 16.785 18.632 32.609 662 HD3 ARG 197 HD1 ARG 197 18.299 18.707 33.521 663 HE ARG 197 HE ARG 197 16.247 16.965 34.624 664 HH11 ARG 197 HH11 ARG 197 19.077 17.106 32.527 665 HH12 ARG 197 HH12 ARG 197 19.395 15.406 32.657 666 HH21 ARG 197 HH21 ARG 197 16.663 14.741 34.740 667 HH22 ARG 197 HH22 ARG 197 18.017 14.065 33.894 668 H GLN 198 HN GLN 198 14.278 22.520 31.313 669 HA GLN 198 HA GLN 198 14.309 25.166 32.397 670 HB2 GLN 198 HB2 GLN 198 15.245 26.361 30.468 671 HB3 GLN 198 HB1 GLN 198 16.445 25.234 31.082 672 HG2 GLN 198 HG2 GLN 198 15.896 23.654 29.251 673 HG3 GLN 198 HG1 GLN 198 14.708 24.799 28.630 674 HE21 GLN 198 HE21 GLN 198 17.925 25.629 29.885 675 HE22 GLN 198 HE22 GLN 198 18.547 26.203 28.383 676 H VAL 199 HN VAL 199 12.589 26.413 31.528 677 HA VAL 199 HA VAL 199 10.575 25.034 29.960 678 HB VAL 199 HB VAL 199 10.664 27.962 30.862 679 HG11 VAL 199 HG11 VAL 199 8.221 27.954 30.407 680 HG12 VAL 199 HG12 VAL 199 8.345 26.311 29.775 681 HG13 VAL 199 HG13 VAL 199 9.158 27.640 28.945 682 HG21 VAL 199 HG21 VAL 199 10.678 26.427 32.789 683 HG22 VAL 199 HG22 VAL 199 9.272 25.572 32.149 684 HG23 VAL 199 HG23 VAL 199 9.122 27.251 32.673 685 H THR 200 HN THR 200 10.605 24.976 27.815 686 HA THR 200 HA THR 200 12.658 26.262 26.267 687 HB THR 200 HB THR 200 10.346 24.470 25.375 688 HG1 THR 200 HG1 THR 200 11.601 23.342 26.825 689 HG21 THR 200 HG21 THR 200 12.975 25.095 23.962 690 HG22 THR 200 HG22 THR 200 11.377 25.650 23.457 691 HG23 THR 200 HG23 THR 200 11.766 23.930 23.417 692 H LYS 201 HN LYS 201 12.452 28.189 25.142 693 HA LYS 201 HA LYS 201 9.778 29.392 24.785 694 HB2 LYS 201 HB2 LYS 201 12.580 30.569 24.629 695 HB3 LYS 201 HB1 LYS 201 11.189 31.436 23.995 696 HG2 LYS 201 HG2 LYS 201 11.648 32.273 26.200 697 HG3 LYS 201 HG1 LYS 201 10.141 31.359 26.266 698 HD2 LYS 201 HD2 LYS 201 11.501 29.389 27.147 699 HD3 LYS 201 HD1 LYS 201 12.879 30.485 27.265 700 HE2 LYS 201 HE2 LYS 201 10.230 30.821 28.713 701 HE3 LYS 201 HE1 LYS 201 11.719 30.207 29.430 702 HZ1 LYS 201 HZ1 LYS 201 11.429 32.515 29.966 703 HZ2 LYS 201 HZ2 LYS 201 11.293 32.930 28.335 704 HZ3 LYS 201 HZ3 LYS 201 12.762 32.355 28.935 705 H VAL 202 HN VAL 202 8.795 29.360 22.921 706 HA VAL 202 HA VAL 202 10.114 28.829 20.366 707 HB VAL 202 HB VAL 202 8.348 27.009 19.906 708 HG11 VAL 202 HG11 VAL 202 10.424 26.334 22.023 709 HG12 VAL 202 HG12 VAL 202 10.701 26.389 20.280 710 HG13 VAL 202 HG13 VAL 202 9.610 25.182 20.960 711 HG21 VAL 202 HG21 VAL 202 7.356 25.843 21.851 712 HG22 VAL 202 HG22 VAL 202 6.823 27.521 21.779 713 HG23 VAL 202 HG23 VAL 202 8.061 27.040 22.941 714 H ASP 203 HN ASP 203 8.385 28.871 18.578 715 HA ASP 203 HA ASP 203 6.865 31.361 18.968 716 HB2 ASP 203 HB2 ASP 203 7.691 29.909 16.413 717 HB3 ASP 203 HB1 ASP 203 6.841 31.455 16.470 718 H CYS 204 HN CYS 204 4.734 31.602 18.424 719 HA CYS 204 HA CYS 204 3.023 29.237 18.340 720 HB2 CYS 204 HB2 CYS 204 2.498 31.112 19.921 721 HB3 CYS 204 HB1 CYS 204 2.296 32.183 18.551 722 HA PRO 205 HA PRO 205 3.583 29.887 13.864 723 HB2 PRO 205 HB2 PRO 205 2.408 27.580 12.958 724 HB3 PRO 205 HB1 PRO 205 4.006 27.609 13.716 725 HG2 PRO 205 HG2 PRO 205 1.333 26.976 14.972 726 HG3 PRO 205 HG1 PRO 205 2.857 26.063 15.080 727 HD2 PRO 205 HD2 PRO 205 2.096 27.730 17.055 728 HD3 PRO 205 HD1 PRO 205 3.806 27.581 16.595 729 H VAL 206 HN VAL 206 0.638 30.060 15.498 730 HA VAL 206 HA VAL 206 -0.996 30.566 13.120 731 HB VAL 206 HB VAL 206 -1.856 30.834 16.038 732 HG11 VAL 206 HG11 VAL 206 -3.484 30.518 13.481 733 HG12 VAL 206 HG12 VAL 206 -3.314 31.994 14.436 734 HG13 VAL 206 HG13 VAL 206 -4.145 30.598 15.118 735 HG21 VAL 206 HG21 VAL 206 -2.810 28.545 15.853 736 HG22 VAL 206 HG22 VAL 206 -1.057 28.532 15.669 737 HG23 VAL 206 HG23 VAL 206 -2.088 28.373 14.248 738 H CYS 207 HN CYS 207 -0.279 32.388 16.176 739 HA CYS 207 HA CYS 207 -0.929 34.907 14.779 740 HB2 CYS 207 HB2 CYS 207 -1.380 35.902 16.913 741 HB3 CYS 207 HB1 CYS 207 -2.158 34.326 16.916 742 H GLY 208 HN GLY 208 1.792 33.180 15.366 743 HA2 GLY 208 HA2 GLY 208 3.988 33.633 14.971 744 HA3 GLY 208 HA1 GLY 208 3.465 35.176 14.329 745 H VAL 209 HN VAL 209 3.358 33.888 17.682 746 HA VAL 209 HA VAL 209 5.081 36.152 18.556 747 HB VAL 209 HB VAL 209 3.860 36.234 20.693 748 HG11 VAL 209 HG11 VAL 209 1.968 36.450 18.322 749 HG12 VAL 209 HG12 VAL 209 3.086 37.697 18.875 750 HG13 VAL 209 HG13 VAL 209 1.736 37.210 19.900 751 HG21 VAL 209 HG21 VAL 209 3.128 33.890 20.882 752 HG22 VAL 209 HG22 VAL 209 2.001 34.113 19.543 753 HG23 VAL 209 HG23 VAL 209 1.755 34.985 21.058 754 H ASN 210 HN ASN 210 6.841 35.681 19.830 755 HA ASN 210 HA ASN 210 7.441 32.875 20.392 756 HB2 ASN 210 HB2 ASN 210 9.209 34.406 19.450 757 HB3 ASN 210 HB1 ASN 210 9.197 35.306 20.965 758 HD21 ASN 210 HD21 ASN 210 9.975 32.211 19.473 759 HD22 ASN 210 HD22 ASN 210 11.024 31.657 20.733 760 H ILE 211 HN ILE 211 7.203 31.958 22.298 761 HA ILE 211 HA ILE 211 6.675 33.370 24.805 762 HB ILE 211 HB ILE 211 4.466 31.969 24.997 763 HG12 ILE 211 HG12 ILE 211 4.883 31.875 21.971 764 HG13 ILE 211 HG11 ILE 211 4.758 30.503 23.065 765 HG21 ILE 211 HG21 ILE 211 4.431 34.428 24.844 766 HG22 ILE 211 HG22 ILE 211 3.063 33.716 23.992 767 HG23 ILE 211 HG23 ILE 211 4.445 34.327 23.080 768 HD11 ILE 211 HD11 ILE 211 2.548 32.415 22.347 769 HD12 ILE 211 HD12 ILE 211 2.411 31.057 23.467 770 HD13 ILE 211 HD13 ILE 211 2.757 30.765 21.761 771 HA PRO 212 HA PRO 212 8.281 29.405 26.459 772 HB2 PRO 212 HB2 PRO 212 6.687 29.016 28.697 773 HB3 PRO 212 HB1 PRO 212 8.073 30.111 28.650 774 HG2 PRO 212 HG2 PRO 212 5.148 30.743 28.316 775 HG3 PRO 212 HG1 PRO 212 6.380 31.605 29.265 776 HD2 PRO 212 HD2 PRO 212 5.596 32.502 26.843 777 HD3 PRO 212 HD1 PRO 212 7.289 32.649 27.366 778 H GLU 213 HN GLU 213 7.670 27.171 26.655 779 HA GLU 213 HA GLU 213 5.981 26.465 24.508 780 HB2 GLU 213 HB2 GLU 213 8.030 25.291 24.760 781 HB3 GLU 213 HB1 GLU 213 7.692 24.870 26.428 782 HG2 GLU 213 HG2 GLU 213 5.936 23.765 24.238 783 HG3 GLU 213 HG1 GLU 213 7.527 23.058 24.513 784 H SER 214 HN SER 214 5.543 26.063 28.018 785 HA SER 214 HA SER 214 3.157 24.573 28.010 786 HB2 SER 214 HB2 SER 214 2.773 25.777 30.257 787 HB3 SER 214 HB1 SER 214 4.319 24.941 30.089 788 HG SER 214 HG SER 214 5.305 26.781 30.270 789 H HIS 215 HN HIS 215 3.751 28.026 27.655 790 HA HIS 215 HA HIS 215 0.960 28.770 27.415 791 HB2 HIS 215 HB2 HIS 215 3.538 30.369 27.106 792 HB3 HIS 215 HB1 HIS 215 1.934 31.073 26.910 793 HD1 HIS 215 HD1 HIS 215 1.199 32.240 28.944 794 HD2 HIS 215 HD2 HIS 215 3.631 29.008 29.872 795 HE1 HIS 215 HE1 HIS 215 1.404 32.246 31.445 796 HE2 HIS 215 HE2 HIS 215 2.831 30.245 31.989 797 H ILE 216 HN ILE 216 3.461 27.707 25.197 798 HA ILE 216 HA ILE 216 2.322 28.903 22.845 799 HB ILE 216 HB ILE 216 4.793 27.890 23.077 800 HG12 ILE 216 HG12 ILE 216 3.764 29.035 21.024 801 HG13 ILE 216 HG11 ILE 216 5.071 27.911 20.694 802 HG21 ILE 216 HG21 ILE 216 5.098 25.679 22.001 803 HG22 ILE 216 HG22 ILE 216 3.349 25.445 21.984 804 HG23 ILE 216 HG23 ILE 216 4.209 25.552 23.511 805 HD11 ILE 216 HD11 ILE 216 3.356 27.662 19.046 806 HD12 ILE 216 HD12 ILE 216 2.121 27.425 20.277 807 HD13 ILE 216 HD13 ILE 216 3.379 26.211 20.038 808 H ASN 217 HN ASN 217 2.089 25.771 24.447 809 HA ASN 217 HA ASN 217 0.398 24.430 22.671 810 HB2 ASN 217 HB2 ASN 217 1.618 23.301 24.482 811 HB3 ASN 217 HB1 ASN 217 0.697 24.184 25.691 812 HD21 ASN 217 HD21 ASN 217 -0.642 22.642 22.770 813 HD22 ASN 217 HD22 ASN 217 -1.578 21.465 23.621 814 H LYS 218 HN LYS 218 -0.368 26.270 25.638 815 HA LYS 218 HA LYS 218 -3.175 26.136 25.514 816 HB2 LYS 218 HB2 LYS 218 -1.784 26.817 27.511 817 HB3 LYS 218 HB1 LYS 218 -1.486 28.367 26.738 818 HG2 LYS 218 HG2 LYS 218 -3.256 28.549 28.435 819 HG3 LYS 218 HG1 LYS 218 -3.892 28.901 26.826 820 HD2 LYS 218 HD2 LYS 218 -5.468 27.494 28.080 821 HD3 LYS 218 HD1 LYS 218 -4.837 26.614 26.687 822 HE2 LYS 218 HE2 LYS 218 -3.163 25.528 28.269 823 HE3 LYS 218 HE1 LYS 218 -4.057 26.264 29.602 824 HZ1 LYS 218 HZ1 LYS 218 -4.745 23.976 29.176 825 HZ2 LYS 218 HZ2 LYS 218 -5.186 24.384 27.596 826 HZ3 LYS 218 HZ3 LYS 218 -6.021 25.051 28.902 827 H HIS 219 HN HIS 219 -0.902 28.482 24.158 828 HA HIS 219 HA HIS 219 -2.663 30.463 23.270 829 HB2 HIS 219 HB2 HIS 219 0.148 29.861 22.884 830 HB3 HIS 219 HB1 HIS 219 -0.528 30.215 21.306 831 HD2 HIS 219 HD2 HIS 219 -0.411 31.989 24.837 832 HE1 HIS 219 HE1 HIS 219 -0.360 34.883 21.762 833 HE2 HIS 219 HE2 HIS 219 -0.438 34.506 24.259 834 H LEU 220 HN LEU 220 -1.591 27.457 21.743 835 HA LEU 220 HA LEU 220 -2.704 27.899 19.196 836 HB2 LEU 220 HB2 LEU 220 -2.199 25.256 20.593 837 HB3 LEU 220 HB1 LEU 220 -2.488 25.462 18.865 838 HG LEU 220 HG LEU 220 -0.125 26.554 20.409 839 HD11 LEU 220 HD11 LEU 220 -0.004 24.156 20.211 840 HD12 LEU 220 HD12 LEU 220 1.215 24.936 19.208 841 HD13 LEU 220 HD13 LEU 220 -0.235 24.263 18.463 842 HD21 LEU 220 HD21 LEU 220 -0.687 26.719 17.439 843 HD22 LEU 220 HD22 LEU 220 0.810 27.209 18.237 844 HD23 LEU 220 HD23 LEU 220 -0.689 28.062 18.584 845 H ASP 221 HN ASP 221 -3.972 26.177 22.053 846 HA ASP 221 HA ASP 221 -6.367 25.214 21.001 847 HB2 ASP 221 HB2 ASP 221 -5.789 26.185 23.833 848 HB3 ASP 221 HB1 ASP 221 -7.216 25.268 23.375 849 H SER 222 HN SER 222 -5.581 28.451 22.144 850 HA SER 222 HA SER 222 -8.285 29.490 21.768 851 HB2 SER 222 HB2 SER 222 -6.780 30.392 23.536 852 HB3 SER 222 HB1 SER 222 -5.668 30.964 22.291 853 HG SER 222 HG SER 222 -8.391 31.761 22.312 854 H CYS 223 HN CYS 223 -5.252 29.416 19.979 855 HA CYS 223 HA CYS 223 -5.909 31.603 18.220 856 HB2 CYS 223 HB2 CYS 223 -3.480 29.787 18.481 857 HB3 CYS 223 HB1 CYS 223 -3.605 31.039 17.241 858 H LEU 224 HN LEU 224 -6.211 28.149 18.097 859 HA LEU 224 HA LEU 224 -6.371 28.025 15.179 860 HB2 LEU 224 HB2 LEU 224 -6.429 25.625 15.406 861 HB3 LEU 224 HB1 LEU 224 -5.168 26.259 16.442 862 HG LEU 224 HG LEU 224 -7.057 26.044 18.331 863 HD11 LEU 224 HD11 LEU 224 -8.453 24.041 18.076 864 HD12 LEU 224 HD12 LEU 224 -7.944 23.887 16.392 865 HD13 LEU 224 HD13 LEU 224 -8.891 25.286 16.908 866 HD21 LEU 224 HD21 LEU 224 -4.878 24.953 18.393 867 HD22 LEU 224 HD22 LEU 224 -5.464 23.676 17.325 868 HD23 LEU 224 HD23 LEU 224 -6.144 23.860 18.943 869 H SER 225 HN SER 225 -8.409 28.553 17.839 870 HA SER 225 HA SER 225 -10.896 27.617 16.819 871 HB2 SER 225 HB2 SER 225 -10.334 29.863 18.811 872 HB3 SER 225 HB1 SER 225 -11.902 29.097 18.543 873 HG SER 225 HG SER 225 -9.639 28.134 19.861 874 H ARG 226 HN ARG 226 -10.921 28.216 14.664 875 HA ARG 226 HA ARG 226 -10.932 31.076 13.915 876 HB2 ARG 226 HB2 ARG 226 -10.509 30.235 11.598 877 HB3 ARG 226 HB1 ARG 226 -9.236 29.803 12.736 878 HG2 ARG 226 HG2 ARG 226 -10.122 27.506 12.886 879 HG3 ARG 226 HG1 ARG 226 -11.444 27.939 11.794 880 HD2 ARG 226 HD2 ARG 226 -8.483 27.922 11.104 881 HD3 ARG 226 HD1 ARG 226 -9.691 26.748 10.573 882 HE ARG 226 HE ARG 226 -10.805 28.608 9.380 883 HH11 ARG 226 HH11 ARG 226 -7.400 28.961 10.143 884 HH12 ARG 226 HH12 ARG 226 -7.111 30.091 8.864 885 HH21 ARG 226 HH21 ARG 226 -10.427 30.125 7.743 886 HH22 ARG 226 HH22 ARG 226 -8.832 30.766 7.505 887 H GLU 227 HN GLU 227 -12.375 31.474 11.906 888 HA GLU 227 HA GLU 227 -14.430 31.916 11.144 889 HB2 GLU 227 HB2 GLU 227 -14.859 29.008 11.878 890 HB3 GLU 227 HB1 GLU 227 -16.225 29.977 11.349 891 HG2 GLU 227 HG2 GLU 227 -15.371 28.752 9.464 892 HG3 GLU 227 HG1 GLU 227 -15.046 30.461 9.217 Start of MODEL 2 1 H1 GLY -2 HT1 GLY -2 -1.835 3.086 -0.581 2 H2 GLY -2 HT2 GLY -2 -0.950 2.264 0.605 3 H3 GLY -2 HT3 GLY -2 -2.185 1.467 -0.235 4 HA2 GLY -2 HA1 GLY -2 0.015 0.813 -1.037 5 HA3 GLY -2 HA2 GLY -2 -0.970 1.575 -2.279 6 H SER -1 HN SER -1 2.008 1.363 -1.894 7 HA SER -1 HA SER -1 3.943 2.526 -1.994 8 HB2 SER -1 HB2 SER -1 4.003 4.472 -3.481 9 HB3 SER -1 HB1 SER -1 2.872 3.293 -4.131 10 HG SER -1 HG SER -1 1.799 5.203 -2.439 11 H HIS 0 HN HIS 0 4.702 5.223 -1.704 12 HA HIS 0 HA HIS 0 3.280 6.537 0.422 13 HB2 HIS 0 HB2 HIS 0 5.090 6.578 2.090 14 HB3 HIS 0 HB1 HIS 0 4.594 4.923 1.779 15 HD1 HIS 0 HD1 HIS 0 7.409 7.323 0.824 16 HD2 HIS 0 HD2 HIS 0 6.692 3.247 1.202 17 HE1 HIS 0 HE1 HIS 0 9.631 6.216 0.498 18 HE2 HIS 0 HE2 HIS 0 9.205 3.780 0.933 19 H MET 1 HN MET 1 3.645 8.695 0.405 20 HA MET 1 HA MET 1 5.850 9.792 -1.236 21 HB2 MET 1 HB2 MET 1 3.378 11.234 -0.186 22 HB3 MET 1 HB1 MET 1 4.579 11.895 -1.280 23 HG2 MET 1 HG2 MET 1 2.688 9.624 -1.922 24 HG3 MET 1 HG1 MET 1 2.521 11.298 -2.462 25 HE1 MET 1 HE1 MET 1 2.511 8.769 -4.434 26 HE2 MET 1 HE2 MET 1 3.558 9.329 -5.735 27 HE3 MET 1 HE3 MET 1 2.369 10.425 -5.038 28 H GLN 2 HN GLN 2 7.037 11.536 -0.332 29 HA GLN 2 HA GLN 2 7.295 11.407 2.594 30 HB2 GLN 2 HB2 GLN 2 9.297 12.054 0.418 31 HB3 GLN 2 HB1 GLN 2 9.578 12.566 2.073 32 HG2 GLN 2 HG2 GLN 2 10.712 10.566 2.084 33 HG3 GLN 2 HG1 GLN 2 9.136 10.009 2.622 34 HE21 GLN 2 HE21 GLN 2 11.268 8.525 1.382 35 HE22 GLN 2 HE22 GLN 2 10.633 7.840 -0.066 36 H ILE 3 HN ILE 3 6.681 13.043 3.755 37 HA ILE 3 HA ILE 3 6.587 15.787 2.651 38 HB ILE 3 HB ILE 3 4.734 16.319 4.288 39 HG12 ILE 3 HG12 ILE 3 5.083 14.210 5.736 40 HG13 ILE 3 HG11 ILE 3 3.418 14.656 5.392 41 HG21 ILE 3 HG21 ILE 3 4.221 16.068 1.933 42 HG22 ILE 3 HG22 ILE 3 2.895 15.425 2.902 43 HG23 ILE 3 HG23 ILE 3 4.028 14.322 2.117 44 HD11 ILE 3 HD11 ILE 3 3.781 12.249 5.271 45 HD12 ILE 3 HD12 ILE 3 4.968 12.477 3.988 46 HD13 ILE 3 HD13 ILE 3 3.274 12.897 3.712 47 H PHE 4 HN PHE 4 6.793 17.450 4.373 48 HA PHE 4 HA PHE 4 8.911 16.587 6.276 49 HB2 PHE 4 HB2 PHE 4 8.723 19.240 4.771 50 HB3 PHE 4 HB1 PHE 4 10.016 18.754 5.869 51 HD1 PHE 4 HD1 PHE 4 11.185 16.443 5.259 52 HD2 PHE 4 HD2 PHE 4 9.075 18.898 2.459 53 HE1 PHE 4 HE1 PHE 4 12.380 15.365 3.404 54 HE2 PHE 4 HE2 PHE 4 10.281 17.814 0.609 55 HZ PHE 4 HZ PHE 4 11.931 16.044 1.080 56 H VAL 5 HN VAL 5 8.284 16.743 8.266 57 HA VAL 5 HA VAL 5 6.435 18.856 9.180 58 HB VAL 5 HB VAL 5 6.968 16.019 10.076 59 HG11 VAL 5 HG11 VAL 5 6.021 16.399 12.324 60 HG12 VAL 5 HG12 VAL 5 6.088 18.140 12.050 61 HG13 VAL 5 HG13 VAL 5 7.576 17.199 12.111 62 HG21 VAL 5 HG21 VAL 5 4.440 17.727 10.013 63 HG22 VAL 5 HG22 VAL 5 4.510 16.006 10.401 64 HG23 VAL 5 HG23 VAL 5 4.944 16.559 8.787 65 H LYS 6 HN LYS 6 7.387 20.506 10.103 66 HA LYS 6 HA LYS 6 10.154 20.324 11.116 67 HB2 LYS 6 HB2 LYS 6 9.474 21.859 9.077 68 HB3 LYS 6 HB1 LYS 6 8.722 22.884 10.294 69 HG2 LYS 6 HG2 LYS 6 10.817 23.874 10.068 70 HG3 LYS 6 HG1 LYS 6 11.075 22.810 11.453 71 HD2 LYS 6 HD2 LYS 6 12.089 21.114 9.943 72 HD3 LYS 6 HD1 LYS 6 11.847 22.202 8.573 73 HE2 LYS 6 HE2 LYS 6 13.300 23.887 9.853 74 HE3 LYS 6 HE1 LYS 6 13.702 22.551 10.934 75 HZ1 LYS 6 HZ1 LYS 6 14.234 22.682 8.020 76 HZ2 LYS 6 HZ2 LYS 6 14.532 21.340 8.990 77 HZ3 LYS 6 HZ3 LYS 6 15.380 22.773 9.261 78 H THR 7 HN THR 7 10.065 20.141 13.336 79 HA THR 7 HA THR 7 7.953 21.104 14.974 80 HB THR 7 HB THR 7 9.565 20.716 16.903 81 HG1 THR 7 HG1 THR 7 11.580 19.815 16.379 82 HG21 THR 7 HG21 THR 7 9.714 18.261 16.637 83 HG22 THR 7 HG22 THR 7 9.305 18.428 14.929 84 HG23 THR 7 HG23 THR 7 8.130 18.875 16.161 85 H LEU 8 HN LEU 8 8.190 22.724 16.707 86 HA LEU 8 HA LEU 8 9.031 25.275 15.826 87 HB2 LEU 8 HB2 LEU 8 8.412 24.316 18.639 88 HB3 LEU 8 HB1 LEU 8 8.566 26.001 18.167 89 HG LEU 8 HG LEU 8 6.404 24.071 17.249 90 HD11 LEU 8 HD11 LEU 8 6.128 24.802 19.567 91 HD12 LEU 8 HD12 LEU 8 4.884 25.499 18.535 92 HD13 LEU 8 HD13 LEU 8 6.241 26.493 19.066 93 HD21 LEU 8 HD21 LEU 8 6.957 25.631 15.431 94 HD22 LEU 8 HD22 LEU 8 6.751 27.002 16.525 95 HD23 LEU 8 HD23 LEU 8 5.369 25.985 16.106 96 H THR 9 HN THR 9 10.805 22.720 17.362 97 HA THR 9 HA THR 9 12.902 24.359 18.502 98 HB THR 9 HB THR 9 14.060 22.151 18.859 99 HG1 THR 9 HG1 THR 9 13.032 20.268 18.197 100 HG21 THR 9 HG21 THR 9 11.135 22.144 19.710 101 HG22 THR 9 HG22 THR 9 12.449 22.953 20.569 102 HG23 THR 9 HG23 THR 9 12.426 21.193 20.446 103 H GLY 10 HN GLY 10 12.096 23.406 15.365 104 HA2 GLY 10 HA2 GLY 10 13.169 24.122 13.410 105 HA3 GLY 10 HA1 GLY 10 14.681 24.281 14.294 106 H LYS 11 HN LYS 11 13.155 21.363 14.998 107 HA LYS 11 HA LYS 11 15.089 19.833 13.460 108 HB2 LYS 11 HB2 LYS 11 14.993 18.836 15.511 109 HB3 LYS 11 HB1 LYS 11 13.360 19.390 15.843 110 HG2 LYS 11 HG2 LYS 11 12.428 17.561 14.572 111 HG3 LYS 11 HG1 LYS 11 14.038 17.033 14.060 112 HD2 LYS 11 HD2 LYS 11 14.618 16.447 16.363 113 HD3 LYS 11 HD1 LYS 11 13.094 17.120 16.955 114 HE2 LYS 11 HE2 LYS 11 13.080 14.632 16.793 115 HE3 LYS 11 HE1 LYS 11 11.825 15.409 15.827 116 HZ1 LYS 11 HZ1 LYS 11 13.180 15.100 13.858 117 HZ2 LYS 11 HZ2 LYS 11 12.918 13.616 14.624 118 HZ3 LYS 11 HZ3 LYS 11 14.411 14.392 14.775 119 H THR 12 HN THR 12 14.575 18.233 11.952 120 HA THR 12 HA THR 12 11.981 18.609 10.561 121 HB THR 12 HB THR 12 14.532 17.514 9.292 122 HG1 THR 12 HG1 THR 12 14.936 19.622 9.951 123 HG21 THR 12 HG21 THR 12 12.006 18.703 8.044 124 HG22 THR 12 HG22 THR 12 12.410 16.987 8.076 125 HG23 THR 12 HG23 THR 12 13.414 18.109 7.157 126 H ILE 13 HN ILE 13 10.780 16.895 10.049 127 HA ILE 13 HA ILE 13 11.575 14.136 10.794 128 HB ILE 13 HB ILE 13 8.863 15.448 11.337 129 HG12 ILE 13 HG12 ILE 13 9.545 14.627 13.797 130 HG13 ILE 13 HG11 ILE 13 11.177 14.765 13.173 131 HG21 ILE 13 HG21 ILE 13 8.582 13.118 10.659 132 HG22 ILE 13 HG22 ILE 13 8.203 13.306 12.370 133 HG23 ILE 13 HG23 ILE 13 9.742 12.595 11.881 134 HD11 ILE 13 HD11 ILE 13 9.133 16.981 13.299 135 HD12 ILE 13 HD12 ILE 13 10.778 17.129 12.676 136 HD13 ILE 13 HD13 ILE 13 10.511 16.754 14.376 137 H THR 14 HN THR 14 11.546 12.990 8.901 138 HA THR 14 HA THR 14 9.783 13.781 6.684 139 HB THR 14 HB THR 14 11.947 11.628 6.748 140 HG1 THR 14 HG1 THR 14 11.974 14.384 6.152 141 HG21 THR 14 HG21 THR 14 11.807 11.726 4.266 142 HG22 THR 14 HG22 THR 14 10.495 12.899 4.381 143 HG23 THR 14 HG23 THR 14 10.255 11.249 4.958 144 H LEU 15 HN LEU 15 7.844 12.828 6.493 145 HA LEU 15 HA LEU 15 7.316 10.183 7.729 146 HB2 LEU 15 HB2 LEU 15 5.215 12.146 6.708 147 HB3 LEU 15 HB1 LEU 15 4.945 10.707 7.665 148 HG LEU 15 HG LEU 15 4.616 12.510 9.153 149 HD11 LEU 15 HD11 LEU 15 7.451 11.596 9.673 150 HD12 LEU 15 HD12 LEU 15 5.984 10.728 10.123 151 HD13 LEU 15 HD13 LEU 15 6.328 12.292 10.847 152 HD21 LEU 15 HD21 LEU 15 7.193 13.753 8.157 153 HD22 LEU 15 HD22 LEU 15 6.186 14.375 9.465 154 HD23 LEU 15 HD23 LEU 15 5.552 14.315 7.824 155 H GLU 16 HN GLU 16 5.985 8.707 6.474 156 HA GLU 16 HA GLU 16 6.347 8.936 3.543 157 HB2 GLU 16 HB2 GLU 16 6.924 6.515 5.310 158 HB3 GLU 16 HB1 GLU 16 6.952 6.498 3.549 159 HG2 GLU 16 HG2 GLU 16 8.863 7.951 3.474 160 HG3 GLU 16 HG1 GLU 16 8.751 8.291 5.204 161 H VAL 17 HN VAL 17 4.147 9.590 3.475 162 HA VAL 17 HA VAL 17 2.194 7.395 3.504 163 HB VAL 17 HB VAL 17 0.439 8.667 4.657 164 HG11 VAL 17 HG11 VAL 17 1.755 7.182 6.075 165 HG12 VAL 17 HG12 VAL 17 1.207 8.596 6.974 166 HG13 VAL 17 HG13 VAL 17 2.883 8.494 6.434 167 HG21 VAL 17 HG21 VAL 17 1.109 10.935 4.089 168 HG22 VAL 17 HG22 VAL 17 2.516 10.824 5.151 169 HG23 VAL 17 HG23 VAL 17 0.889 10.797 5.835 170 H GLU 18 HN GLU 18 -0.026 8.467 2.737 171 HA GLU 18 HA GLU 18 0.581 9.730 0.143 172 HB2 GLU 18 HB2 GLU 18 -2.120 8.612 0.999 173 HB3 GLU 18 HB1 GLU 18 -1.454 8.744 -0.627 174 HG2 GLU 18 HG2 GLU 18 0.253 6.997 0.033 175 HG3 GLU 18 HG1 GLU 18 -0.631 6.816 1.544 176 HA PRO 19 HA PRO 19 -1.637 13.576 1.387 177 HB2 PRO 19 HB2 PRO 19 -2.832 14.205 -1.060 178 HB3 PRO 19 HB1 PRO 19 -1.185 14.651 -0.605 179 HG2 PRO 19 HG2 PRO 19 -2.128 12.331 -2.272 180 HG3 PRO 19 HG1 PRO 19 -0.730 13.401 -2.522 181 HD2 PRO 19 HD2 PRO 19 -0.429 10.920 -1.495 182 HD3 PRO 19 HD1 PRO 19 0.578 12.274 -0.937 183 H SER 20 HN SER 20 -3.155 10.821 -0.209 184 HA SER 20 HA SER 20 -5.869 11.549 0.660 185 HB2 SER 20 HB2 SER 20 -5.489 10.680 -1.662 186 HB3 SER 20 HB1 SER 20 -4.918 9.156 -0.989 187 HG SER 20 HG SER 20 -7.046 8.947 -0.027 188 H ASP 21 HN ASP 21 -3.320 10.270 2.203 189 HA ASP 21 HA ASP 21 -4.256 7.858 3.375 190 HB2 ASP 21 HB2 ASP 21 -1.901 8.289 3.326 191 HB3 ASP 21 HB1 ASP 21 -2.085 9.854 4.091 192 H THR 22 HN THR 22 -3.449 10.288 5.765 193 HA THR 22 HA THR 22 -5.769 11.567 6.414 194 HB THR 22 HB THR 22 -6.932 9.438 6.858 195 HG1 THR 22 HG1 THR 22 -7.604 11.090 8.174 196 HG21 THR 22 HG21 THR 22 -6.310 7.944 8.705 197 HG22 THR 22 HG22 THR 22 -4.856 8.895 9.008 198 HG23 THR 22 HG23 THR 22 -5.023 8.006 7.494 199 H ILE 23 HN ILE 23 -5.492 12.872 8.242 200 HA ILE 23 HA ILE 23 -2.828 13.444 8.986 201 HB ILE 23 HB ILE 23 -5.379 14.397 10.375 202 HG12 ILE 23 HG12 ILE 23 -5.395 15.024 7.964 203 HG13 ILE 23 HG11 ILE 23 -5.277 16.436 8.995 204 HG21 ILE 23 HG21 ILE 23 -4.049 16.314 11.203 205 HG22 ILE 23 HG22 ILE 23 -2.597 15.631 10.466 206 HG23 ILE 23 HG23 ILE 23 -3.405 14.780 11.779 207 HD11 ILE 23 HD11 ILE 23 -3.855 16.638 7.040 208 HD12 ILE 23 HD12 ILE 23 -2.993 15.167 7.485 209 HD13 ILE 23 HD13 ILE 23 -2.884 16.601 8.510 210 H GLU 24 HN GLU 24 -5.405 11.612 10.520 211 HA GLU 24 HA GLU 24 -4.477 11.216 13.119 212 HB2 GLU 24 HB2 GLU 24 -6.696 10.483 11.938 213 HB3 GLU 24 HB1 GLU 24 -5.835 9.028 11.482 214 HG2 GLU 24 HG2 GLU 24 -6.334 9.942 14.337 215 HG3 GLU 24 HG1 GLU 24 -7.322 8.775 13.470 216 H ASN 25 HN ASN 25 -3.655 9.582 10.131 217 HA ASN 25 HA ASN 25 -1.931 7.594 11.338 218 HB2 ASN 25 HB2 ASN 25 -3.303 7.287 9.237 219 HB3 ASN 25 HB1 ASN 25 -2.206 8.361 8.408 220 HD21 ASN 25 HD21 ASN 25 -0.195 7.634 7.799 221 HD22 ASN 25 HD22 ASN 25 0.303 5.984 7.939 222 H VAL 26 HN VAL 26 -1.579 10.583 9.497 223 HA VAL 26 HA VAL 26 1.190 10.677 9.122 224 HB VAL 26 HB VAL 26 -0.700 13.042 9.558 225 HG11 VAL 26 HG11 VAL 26 0.981 14.437 8.381 226 HG12 VAL 26 HG12 VAL 26 2.088 13.063 8.317 227 HG13 VAL 26 HG13 VAL 26 1.642 13.764 9.872 228 HG21 VAL 26 HG21 VAL 26 0.264 11.783 6.964 229 HG22 VAL 26 HG22 VAL 26 -0.804 13.179 7.108 230 HG23 VAL 26 HG23 VAL 26 -1.345 11.598 7.659 231 H LYS 27 HN LYS 27 -0.739 11.797 11.899 232 HA LYS 27 HA LYS 27 1.497 12.853 13.351 233 HB2 LYS 27 HB2 LYS 27 -0.068 13.274 15.154 234 HB3 LYS 27 HB1 LYS 27 -0.773 13.758 13.620 235 HG2 LYS 27 HG2 LYS 27 -2.114 11.656 13.618 236 HG3 LYS 27 HG1 LYS 27 -1.453 11.269 15.209 237 HD2 LYS 27 HD2 LYS 27 -3.655 12.273 15.477 238 HD3 LYS 27 HD1 LYS 27 -2.432 13.375 16.109 239 HE2 LYS 27 HE2 LYS 27 -2.532 14.627 13.927 240 HE3 LYS 27 HE1 LYS 27 -3.870 13.580 13.447 241 HZ1 LYS 27 HZ1 LYS 27 -5.131 14.389 15.346 242 HZ2 LYS 27 HZ2 LYS 27 -4.661 15.671 14.347 243 HZ3 LYS 27 HZ3 LYS 27 -3.847 15.393 15.802 244 H ALA 28 HN ALA 28 -0.227 9.767 13.305 245 HA ALA 28 HA ALA 28 1.168 8.449 15.382 246 HB1 ALA 28 HB1 ALA 28 -0.829 7.490 14.287 247 HB2 ALA 28 HB2 ALA 28 0.523 6.358 14.234 248 HB3 ALA 28 HB3 ALA 28 0.084 7.276 12.793 249 H LYS 29 HN LYS 29 2.092 9.264 12.066 250 HA LYS 29 HA LYS 29 4.427 7.609 11.947 251 HB2 LYS 29 HB2 LYS 29 3.831 10.091 10.291 252 HB3 LYS 29 HB1 LYS 29 5.078 8.905 9.949 253 HG2 LYS 29 HG2 LYS 29 2.086 8.530 9.762 254 HG3 LYS 29 HG1 LYS 29 3.234 8.622 8.439 255 HD2 LYS 29 HD2 LYS 29 3.026 6.342 8.482 256 HD3 LYS 29 HD1 LYS 29 4.257 6.463 9.736 257 HE2 LYS 29 HE2 LYS 29 2.404 6.459 11.448 258 HE3 LYS 29 HE1 LYS 29 1.259 6.182 10.136 259 HZ1 LYS 29 HZ1 LYS 29 3.510 4.394 10.878 260 HZ2 LYS 29 HZ2 LYS 29 2.412 4.121 9.622 261 HZ3 LYS 29 HZ3 LYS 29 1.874 4.124 11.224 262 H ILE 30 HN ILE 30 3.878 11.067 12.849 263 HA ILE 30 HA ILE 30 6.522 11.826 13.344 264 HB ILE 30 HB ILE 30 3.901 12.686 14.621 265 HG12 ILE 30 HG12 ILE 30 4.750 14.982 13.691 266 HG13 ILE 30 HG11 ILE 30 5.954 14.037 12.829 267 HG21 ILE 30 HG21 ILE 30 5.429 12.806 16.512 268 HG22 ILE 30 HG22 ILE 30 5.065 14.438 15.954 269 HG23 ILE 30 HG23 ILE 30 6.612 13.693 15.548 270 HD11 ILE 30 HD11 ILE 30 4.157 12.858 11.655 271 HD12 ILE 30 HD12 ILE 30 4.110 14.602 11.407 272 HD13 ILE 30 HD13 ILE 30 2.971 13.843 12.518 273 H GLN 31 HN GLN 31 4.228 10.167 15.497 274 HA GLN 31 HA GLN 31 5.916 9.788 17.721 275 HB2 GLN 31 HB2 GLN 31 3.451 9.492 17.751 276 HB3 GLN 31 HB1 GLN 31 3.606 8.046 16.759 277 HG2 GLN 31 HG2 GLN 31 4.845 6.927 18.560 278 HG3 GLN 31 HG1 GLN 31 4.760 8.385 19.543 279 HE21 GLN 31 HE21 GLN 31 2.058 7.163 17.604 280 HE22 GLN 31 HE22 GLN 31 1.061 6.766 18.956 281 H ASP 32 HN ASP 32 5.557 7.944 14.744 282 HA ASP 32 HA ASP 32 7.188 5.701 15.471 283 HB2 ASP 32 HB2 ASP 32 5.583 5.399 13.708 284 HB3 ASP 32 HB1 ASP 32 6.184 6.790 12.819 285 H LYS 33 HN LYS 33 7.898 8.907 14.188 286 HA LYS 33 HA LYS 33 10.553 8.106 13.203 287 HB2 LYS 33 HB2 LYS 33 9.128 10.788 13.028 288 HB3 LYS 33 HB1 LYS 33 10.698 10.441 12.313 289 HG2 LYS 33 HG2 LYS 33 8.072 9.127 11.559 290 HG3 LYS 33 HG1 LYS 33 8.889 10.393 10.645 291 HD2 LYS 33 HD2 LYS 33 10.750 8.903 10.162 292 HD3 LYS 33 HD1 LYS 33 10.064 7.643 11.196 293 HE2 LYS 33 HE2 LYS 33 8.072 7.552 9.652 294 HE3 LYS 33 HE1 LYS 33 8.908 8.683 8.585 295 HZ1 LYS 33 HZ1 LYS 33 9.273 6.449 7.824 296 HZ2 LYS 33 HZ2 LYS 33 9.830 5.965 9.346 297 HZ3 LYS 33 HZ3 LYS 33 10.732 7.060 8.428 298 H GLU 34 HN GLU 34 9.354 10.865 15.203 299 HA GLU 34 HA GLU 34 12.004 11.110 16.389 300 HB2 GLU 34 HB2 GLU 34 11.258 13.217 17.319 301 HB3 GLU 34 HB1 GLU 34 10.928 13.143 15.597 302 HG2 GLU 34 HG2 GLU 34 8.546 12.755 16.056 303 HG3 GLU 34 HG1 GLU 34 8.867 12.787 17.791 304 H GLY 35 HN GLY 35 8.820 10.006 17.317 305 HA2 GLY 35 HA2 GLY 35 8.466 8.394 19.003 306 HA3 GLY 35 HA1 GLY 35 9.969 8.871 19.779 307 H ILE 36 HN ILE 36 7.567 11.202 18.723 308 HA ILE 36 HA ILE 36 6.856 11.775 21.547 309 HB ILE 36 HB ILE 36 7.136 13.640 19.155 310 HG12 ILE 36 HG12 ILE 36 8.296 15.096 20.909 311 HG13 ILE 36 HG11 ILE 36 8.090 13.786 22.061 312 HG21 ILE 36 HG21 ILE 36 5.958 15.447 20.422 313 HG22 ILE 36 HG22 ILE 36 5.464 14.251 21.629 314 HG23 ILE 36 HG23 ILE 36 4.879 14.124 19.971 315 HD11 ILE 36 HD11 ILE 36 9.560 12.374 20.729 316 HD12 ILE 36 HD12 ILE 36 10.344 13.889 21.173 317 HD13 ILE 36 HD13 ILE 36 9.727 13.666 19.537 318 HA PRO 37 HA PRO 37 2.964 9.905 20.437 319 HB2 PRO 37 HB2 PRO 37 1.466 10.626 22.622 320 HB3 PRO 37 HB1 PRO 37 2.738 9.403 22.702 321 HG2 PRO 37 HG2 PRO 37 2.868 12.326 23.448 322 HG3 PRO 37 HG1 PRO 37 3.455 10.914 24.360 323 HD2 PRO 37 HD2 PRO 37 5.129 12.439 22.878 324 HD3 PRO 37 HD1 PRO 37 5.361 10.687 23.019 325 HA PRO 38 HA PRO 38 0.440 12.943 18.267 326 HB2 PRO 38 HB2 PRO 38 -2.101 11.806 18.547 327 HB3 PRO 38 HB1 PRO 38 -0.902 11.312 17.347 328 HG2 PRO 38 HG2 PRO 38 -1.483 10.102 20.047 329 HG3 PRO 38 HG1 PRO 38 -1.225 9.286 18.487 330 HD2 PRO 38 HD2 PRO 38 0.746 9.389 20.274 331 HD3 PRO 38 HD1 PRO 38 1.108 9.639 18.551 332 H ASP 39 HN ASP 39 -0.209 12.113 21.555 333 HA ASP 39 HA ASP 39 -2.126 14.128 22.190 334 HB2 ASP 39 HB2 ASP 39 -1.769 12.032 23.512 335 HB3 ASP 39 HB1 ASP 39 -0.191 12.627 24.010 336 H GLN 40 HN GLN 40 1.408 14.004 22.152 337 HA GLN 40 HA GLN 40 1.672 16.631 23.437 338 HB2 GLN 40 HB2 GLN 40 3.505 14.310 23.030 339 HB3 GLN 40 HB1 GLN 40 4.266 15.883 23.012 340 HG2 GLN 40 HG2 GLN 40 4.255 14.721 25.243 341 HG3 GLN 40 HG1 GLN 40 3.609 16.362 25.227 342 HE21 GLN 40 HE21 GLN 40 2.744 12.970 25.500 343 HE22 GLN 40 HE22 GLN 40 1.187 13.231 26.200 344 H GLN 41 HN GLN 41 2.052 15.157 20.285 345 HA GLN 41 HA GLN 41 3.289 17.625 19.270 346 HB2 GLN 41 HB2 GLN 41 3.494 16.364 17.120 347 HB3 GLN 41 HB1 GLN 41 4.335 15.643 18.475 348 HG2 GLN 41 HG2 GLN 41 3.463 13.758 17.535 349 HG3 GLN 41 HG1 GLN 41 2.154 14.150 18.635 350 HE21 GLN 41 HE21 GLN 41 0.186 14.842 17.788 351 HE22 GLN 41 HE22 GLN 41 -0.184 14.752 16.108 352 H ARG 42 HN ARG 42 2.259 19.047 17.848 353 HA ARG 42 HA ARG 42 -0.656 18.697 17.424 354 HB2 ARG 42 HB2 ARG 42 0.278 20.356 19.347 355 HB3 ARG 42 HB1 ARG 42 0.458 21.466 17.992 356 HG2 ARG 42 HG2 ARG 42 -1.918 21.433 17.556 357 HG3 ARG 42 HG1 ARG 42 -2.162 20.085 18.669 358 HD2 ARG 42 HD2 ARG 42 -1.318 21.608 20.522 359 HD3 ARG 42 HD1 ARG 42 -1.417 22.940 19.363 360 HE ARG 42 HE ARG 42 -3.896 21.901 19.214 361 HH11 ARG 42 HH11 ARG 42 -2.002 22.895 22.009 362 HH12 ARG 42 HH12 ARG 42 -3.389 23.222 22.990 363 HH21 ARG 42 HH21 ARG 42 -5.711 22.321 20.517 364 HH22 ARG 42 HH22 ARG 42 -5.506 22.896 22.141 365 H LEU 43 HN LEU 43 -1.348 19.177 15.396 366 HA LEU 43 HA LEU 43 0.767 19.621 13.389 367 HB2 LEU 43 HB2 LEU 43 -1.921 18.227 13.349 368 HB3 LEU 43 HB1 LEU 43 -1.205 18.759 11.845 369 HG LEU 43 HG LEU 43 -0.749 16.407 12.176 370 HD11 LEU 43 HD11 LEU 43 1.678 16.411 11.894 371 HD12 LEU 43 HD12 LEU 43 1.769 18.053 12.542 372 HD13 LEU 43 HD13 LEU 43 0.931 17.751 11.020 373 HD21 LEU 43 HD21 LEU 43 0.590 15.566 14.041 374 HD22 LEU 43 HD22 LEU 43 -0.902 16.305 14.615 375 HD23 LEU 43 HD23 LEU 43 0.628 17.176 14.767 376 H ILE 44 HN ILE 44 0.866 21.533 12.332 377 HA ILE 44 HA ILE 44 -1.596 23.022 11.765 378 HB ILE 44 HB ILE 44 0.833 24.273 13.137 379 HG12 ILE 44 HG12 ILE 44 -2.081 24.226 14.067 380 HG13 ILE 44 HG11 ILE 44 -0.871 23.070 14.604 381 HG21 ILE 44 HG21 ILE 44 -0.357 26.459 13.007 382 HG22 ILE 44 HG22 ILE 44 -1.608 25.710 12.009 383 HG23 ILE 44 HG23 ILE 44 0.046 25.830 11.408 384 HD11 ILE 44 HD11 ILE 44 -1.273 24.807 16.226 385 HD12 ILE 44 HD12 ILE 44 -0.763 26.035 15.065 386 HD13 ILE 44 HD13 ILE 44 0.391 24.827 15.648 387 H PHE 45 HN PHE 45 -1.635 23.666 9.722 388 HA PHE 45 HA PHE 45 0.862 24.262 8.246 389 HB2 PHE 45 HB2 PHE 45 0.029 22.064 7.480 390 HB3 PHE 45 HB1 PHE 45 -1.579 22.728 7.225 391 HD1 PHE 45 HD2 PHE 45 1.949 22.894 6.007 392 HD2 PHE 45 HD1 PHE 45 -2.151 23.762 5.120 393 HE1 PHE 45 HE2 PHE 45 2.558 23.413 3.684 394 HE2 PHE 45 HE1 PHE 45 -1.525 24.282 2.798 395 HZ PHE 45 HZ PHE 45 0.825 24.109 2.079 396 H ALA 46 HN ALA 46 0.797 26.368 7.679 397 HA ALA 46 HA ALA 46 0.147 28.385 6.900 398 HB1 ALA 46 HB1 ALA 46 -1.669 28.507 5.255 399 HB2 ALA 46 HB2 ALA 46 -2.257 26.918 5.758 400 HB3 ALA 46 HB3 ALA 46 -0.682 27.072 4.982 401 H GLY 47 HN GLY 47 -0.910 27.372 9.586 402 HA2 GLY 47 HA2 GLY 47 -1.759 28.803 11.274 403 HA3 GLY 47 HA1 GLY 47 -2.747 29.636 10.087 404 H LYS 48 HN LYS 48 -3.450 26.712 9.146 405 HA LYS 48 HA LYS 48 -5.784 26.430 10.907 406 HB2 LYS 48 HB2 LYS 48 -6.782 25.114 9.179 407 HB3 LYS 48 HB1 LYS 48 -5.962 26.423 8.344 408 HG2 LYS 48 HG2 LYS 48 -4.015 24.669 8.082 409 HG3 LYS 48 HG1 LYS 48 -5.263 23.490 8.440 410 HD2 LYS 48 HD2 LYS 48 -5.102 23.612 6.059 411 HD3 LYS 48 HD1 LYS 48 -6.595 24.437 6.504 412 HE2 LYS 48 HE2 LYS 48 -5.511 26.612 6.204 413 HE3 LYS 48 HE1 LYS 48 -3.972 25.818 5.850 414 HZ1 LYS 48 HZ1 LYS 48 -6.457 25.529 4.250 415 HZ2 LYS 48 HZ2 LYS 48 -4.956 24.836 3.889 416 HZ3 LYS 48 HZ3 LYS 48 -5.145 26.516 3.844 417 H GLN 49 HN GLN 49 -6.026 24.755 12.339 418 HA GLN 49 HA GLN 49 -3.760 22.996 12.862 419 HB2 GLN 49 HB2 GLN 49 -5.422 24.182 14.598 420 HB3 GLN 49 HB1 GLN 49 -6.401 22.749 14.343 421 HG2 GLN 49 HG2 GLN 49 -3.520 22.731 15.310 422 HG3 GLN 49 HG1 GLN 49 -4.923 22.646 16.361 423 HE21 GLN 49 HE21 GLN 49 -6.438 20.805 14.679 424 HE22 GLN 49 HE22 GLN 49 -5.651 19.274 14.799 425 H LEU 50 HN LEU 50 -3.723 20.798 12.431 426 HA LEU 50 HA LEU 50 -5.560 19.972 10.338 427 HB2 LEU 50 HB2 LEU 50 -3.104 18.482 11.278 428 HB3 LEU 50 HB1 LEU 50 -3.949 18.314 9.750 429 HG LEU 50 HG LEU 50 -2.193 20.637 10.630 430 HD11 LEU 50 HD11 LEU 50 -1.865 18.623 8.411 431 HD12 LEU 50 HD12 LEU 50 -0.955 18.701 9.923 432 HD13 LEU 50 HD13 LEU 50 -0.797 19.992 8.736 433 HD21 LEU 50 HD21 LEU 50 -3.803 20.437 8.061 434 HD22 LEU 50 HD22 LEU 50 -2.607 21.678 8.443 435 HD23 LEU 50 HD23 LEU 50 -4.091 21.572 9.384 436 H GLU 51 HN GLU 51 -7.293 18.836 10.853 437 HA GLU 51 HA GLU 51 -7.680 17.510 13.365 438 HB2 GLU 51 HB2 GLU 51 -9.539 18.708 12.250 439 HB3 GLU 51 HB1 GLU 51 -9.413 17.636 10.856 440 HG2 GLU 51 HG2 GLU 51 -9.998 15.711 12.411 441 HG3 GLU 51 HG1 GLU 51 -10.328 16.910 13.654 442 H ASP 52 HN ASP 52 -7.692 15.351 13.747 443 HA ASP 52 HA ASP 52 -6.107 13.625 12.208 444 HB2 ASP 52 HB2 ASP 52 -6.833 11.868 13.819 445 HB3 ASP 52 HB1 ASP 52 -6.313 13.348 14.607 446 H GLY 53 HN GLY 53 -9.623 13.999 12.365 447 HA2 GLY 53 HA2 GLY 53 -10.378 11.673 10.939 448 HA3 GLY 53 HA1 GLY 53 -11.365 13.099 11.199 449 H ARG 54 HN ARG 54 -9.201 14.748 9.825 450 HA ARG 54 HA ARG 54 -10.150 14.388 7.076 451 HB2 ARG 54 HB2 ARG 54 -8.448 16.565 8.356 452 HB3 ARG 54 HB1 ARG 54 -9.000 16.589 6.683 453 HG2 ARG 54 HG2 ARG 54 -11.393 16.470 7.652 454 HG3 ARG 54 HG1 ARG 54 -10.660 16.829 9.210 455 HD2 ARG 54 HD2 ARG 54 -9.741 18.899 8.321 456 HD3 ARG 54 HD1 ARG 54 -10.410 18.571 6.731 457 HE ARG 54 HE ARG 54 -12.285 18.739 8.969 458 HH11 ARG 54 HH11 ARG 54 -10.947 20.269 6.099 459 HH12 ARG 54 HH12 ARG 54 -12.056 21.603 6.155 460 HH21 ARG 54 HH21 ARG 54 -13.728 20.491 9.015 461 HH22 ARG 54 HH22 ARG 54 -13.646 21.710 7.782 462 H THR 55 HN THR 55 -8.378 14.988 5.351 463 HA THR 55 HA THR 55 -5.984 13.273 5.770 464 HB THR 55 HB THR 55 -5.872 13.142 3.259 465 HG1 THR 55 HG1 THR 55 -8.511 13.979 2.971 466 HG21 THR 55 HG21 THR 55 -7.735 11.581 2.926 467 HG22 THR 55 HG22 THR 55 -8.510 12.167 4.401 468 HG23 THR 55 HG23 THR 55 -6.964 11.317 4.490 469 H LEU 56 HN LEU 56 -4.057 13.978 4.437 470 HA LEU 56 HA LEU 56 -3.153 16.579 4.951 471 HB2 LEU 56 HB2 LEU 56 -2.301 14.588 2.801 472 HB3 LEU 56 HB1 LEU 56 -1.446 16.091 3.087 473 HG LEU 56 HG LEU 56 -1.707 13.820 5.103 474 HD11 LEU 56 HD11 LEU 56 0.680 13.406 4.671 475 HD12 LEU 56 HD12 LEU 56 0.686 14.652 3.421 476 HD13 LEU 56 HD13 LEU 56 -0.277 13.187 3.206 477 HD21 LEU 56 HD21 LEU 56 -1.502 16.023 6.200 478 HD22 LEU 56 HD22 LEU 56 -0.051 16.368 5.260 479 HD23 LEU 56 HD23 LEU 56 -0.053 15.052 6.438 480 H SER 57 HN SER 57 -4.393 15.184 1.923 481 HA SER 57 HA SER 57 -4.214 17.455 0.282 482 HB2 SER 57 HB2 SER 57 -4.398 15.096 -0.513 483 HB3 SER 57 HB1 SER 57 -6.079 15.064 0.005 484 HG SER 57 HG SER 57 -6.382 16.879 -1.494 485 H ASP 58 HN ASP 58 -6.620 16.518 2.664 486 HA ASP 58 HA ASP 58 -8.857 18.033 1.772 487 HB2 ASP 58 HB2 ASP 58 -8.825 16.266 3.632 488 HB3 ASP 58 HB1 ASP 58 -8.103 17.475 4.681 489 H TYR 59 HN TYR 59 -6.154 18.720 3.936 490 HA TYR 59 HA TYR 59 -6.862 21.516 4.292 491 HB2 TYR 59 HB2 TYR 59 -4.740 19.663 5.394 492 HB3 TYR 59 HB1 TYR 59 -4.642 21.395 5.667 493 HD1 TYR 59 HD2 TYR 59 -7.065 22.424 6.419 494 HD2 TYR 59 HD1 TYR 59 -5.705 18.452 7.202 495 HE1 TYR 59 HE2 TYR 59 -8.527 22.325 8.377 496 HE2 TYR 59 HE1 TYR 59 -7.190 18.352 9.157 497 HH TYR 59 HH TYR 59 -8.228 20.294 10.787 498 H ASN 60 HN ASN 60 -5.799 20.202 1.662 499 HA ASN 60 HA ASN 60 -4.818 20.937 -0.225 500 HB2 ASN 60 HB2 ASN 60 -4.172 23.452 1.367 501 HB3 ASN 60 HB1 ASN 60 -3.839 23.272 -0.351 502 HD21 ASN 60 HD21 ASN 60 -6.764 22.248 1.448 503 HD22 ASN 60 HD22 ASN 60 -7.842 23.267 0.579 504 H ILE 61 HN ILE 61 -3.294 19.762 2.237 505 HA ILE 61 HA ILE 61 -0.505 20.375 1.708 506 HB ILE 61 HB ILE 61 -1.666 18.109 3.386 507 HG12 ILE 61 HG12 ILE 61 -0.807 20.785 4.544 508 HG13 ILE 61 HG11 ILE 61 -2.458 20.508 3.997 509 HG21 ILE 61 HG21 ILE 61 0.725 17.823 2.904 510 HG22 ILE 61 HG22 ILE 61 0.476 18.162 4.615 511 HG23 ILE 61 HG23 ILE 61 1.068 19.434 3.542 512 HD11 ILE 61 HD11 ILE 61 -2.158 20.184 6.409 513 HD12 ILE 61 HD12 ILE 61 -1.063 18.842 6.082 514 HD13 ILE 61 HD13 ILE 61 -2.761 18.744 5.586 515 H GLN 62 HN GLN 62 0.621 19.393 0.139 516 HA GLN 62 HA GLN 62 -0.280 16.801 -0.993 517 HB2 GLN 62 HB2 GLN 62 0.915 17.468 -3.044 518 HB3 GLN 62 HB1 GLN 62 -0.321 18.644 -2.627 519 HG2 GLN 62 HG2 GLN 62 1.294 20.243 -1.894 520 HG3 GLN 62 HG1 GLN 62 2.587 19.046 -1.875 521 HE21 GLN 62 HE21 GLN 62 3.551 18.436 -3.816 522 HE22 GLN 62 HE22 GLN 62 3.361 19.351 -5.269 523 H LYS 63 HN LYS 63 1.850 15.810 -2.161 524 HA LYS 63 HA LYS 63 3.656 14.915 -0.216 525 HB2 LYS 63 HB2 LYS 63 5.033 14.084 -2.091 526 HB3 LYS 63 HB1 LYS 63 3.347 13.677 -2.328 527 HG2 LYS 63 HG2 LYS 63 3.134 15.586 -3.919 528 HG3 LYS 63 HG1 LYS 63 4.867 15.895 -3.736 529 HD2 LYS 63 HD2 LYS 63 3.600 13.328 -4.774 530 HD3 LYS 63 HD1 LYS 63 4.413 14.548 -5.757 531 HE2 LYS 63 HE2 LYS 63 5.896 13.203 -3.494 532 HE3 LYS 63 HE1 LYS 63 5.710 12.401 -5.032 533 HZ1 LYS 63 HZ1 LYS 63 6.955 15.055 -4.609 534 HZ2 LYS 63 HZ2 LYS 63 6.762 14.304 -6.110 535 HZ3 LYS 63 HZ3 LYS 63 7.775 13.617 -4.944 536 H GLU 64 HN GLU 64 5.730 15.446 0.284 537 HA GLU 64 HA GLU 64 7.484 16.707 0.848 538 HB2 GLU 64 HB2 GLU 64 7.152 17.861 -1.944 539 HB3 GLU 64 HB1 GLU 64 8.604 18.000 -0.952 540 HG2 GLU 64 HG2 GLU 64 8.980 15.612 -1.045 541 HG3 GLU 64 HG1 GLU 64 7.430 15.344 -1.843 542 H SER 65 HN SER 65 4.528 18.000 0.948 543 HA SER 65 HA SER 65 5.086 20.789 1.224 544 HB2 SER 65 HB2 SER 65 2.819 19.119 2.366 545 HB3 SER 65 HB1 SER 65 2.900 20.880 2.457 546 HG SER 65 HG SER 65 3.277 19.869 -0.069 547 H THR 66 HN THR 66 5.894 21.900 2.876 548 HA THR 66 HA THR 66 6.743 20.520 5.314 549 HB THR 66 HB THR 66 7.414 23.350 4.380 550 HG1 THR 66 HG1 THR 66 8.345 20.901 3.583 551 HG21 THR 66 HG21 THR 66 9.280 23.196 6.002 552 HG22 THR 66 HG22 THR 66 8.736 21.593 6.498 553 HG23 THR 66 HG23 THR 66 7.733 23.007 6.831 554 H LEU 67 HN LEU 67 5.760 20.849 7.217 555 HA LEU 67 HA LEU 67 3.902 23.097 7.626 556 HB2 LEU 67 HB2 LEU 67 2.256 21.564 8.702 557 HB3 LEU 67 HB1 LEU 67 2.413 21.307 6.976 558 HG LEU 67 HG LEU 67 3.955 19.521 8.878 559 HD11 LEU 67 HD11 LEU 67 2.092 17.947 8.989 560 HD12 LEU 67 HD12 LEU 67 1.056 19.079 8.114 561 HD13 LEU 67 HD13 LEU 67 1.647 19.488 9.725 562 HD21 LEU 67 HD21 LEU 67 3.706 17.859 7.086 563 HD22 LEU 67 HD22 LEU 67 4.444 19.334 6.468 564 HD23 LEU 67 HD23 LEU 67 2.743 18.997 6.138 565 H HIS 68 HN HIS 68 3.375 23.380 9.940 566 HA HIS 68 HA HIS 68 5.801 23.053 11.538 567 HB2 HIS 68 HB2 HIS 68 3.293 24.721 11.991 568 HB3 HIS 68 HB1 HIS 68 4.652 24.661 13.116 569 HD1 HIS 68 HD1 HIS 68 3.601 26.139 9.857 570 HD2 HIS 68 HD2 HIS 68 7.038 25.863 12.180 571 HE1 HIS 68 HE1 HIS 68 5.220 27.786 8.876 572 HE2 HIS 68 HE2 HIS 68 7.238 27.696 10.371 573 H LEU 69 HN LEU 69 5.979 21.934 13.337 574 HA LEU 69 HA LEU 69 3.689 20.424 14.436 575 HB2 LEU 69 HB2 LEU 69 5.553 19.129 13.207 576 HB3 LEU 69 HB1 LEU 69 6.623 19.593 14.505 577 HG LEU 69 HG LEU 69 5.738 17.240 14.638 578 HD11 LEU 69 HD11 LEU 69 5.334 17.180 17.008 579 HD12 LEU 69 HD12 LEU 69 4.943 18.900 17.033 580 HD13 LEU 69 HD13 LEU 69 6.582 18.370 16.654 581 HD21 LEU 69 HD21 LEU 69 3.485 17.625 13.775 582 HD22 LEU 69 HD22 LEU 69 3.065 18.544 15.224 583 HD23 LEU 69 HD23 LEU 69 3.438 16.822 15.341 584 H VAL 70 HN VAL 70 3.382 20.692 16.553 585 HA VAL 70 HA VAL 70 5.214 22.459 18.069 586 HB VAL 70 HB VAL 70 2.192 22.156 18.289 587 HG11 VAL 70 HG11 VAL 70 2.302 24.024 19.921 588 HG12 VAL 70 HG12 VAL 70 4.061 23.968 19.864 589 HG13 VAL 70 HG13 VAL 70 3.155 22.594 20.500 590 HG21 VAL 70 HG21 VAL 70 2.127 24.473 17.393 591 HG22 VAL 70 HG22 VAL 70 2.880 23.361 16.257 592 HG23 VAL 70 HG23 VAL 70 3.879 24.455 17.215 593 H LEU 71 HN LEU 71 6.318 21.357 19.497 594 HA LEU 71 HA LEU 71 5.378 18.938 20.786 595 HB2 LEU 71 HB2 LEU 71 7.871 20.590 21.375 596 HB3 LEU 71 HB1 LEU 71 7.527 18.965 21.946 597 HG LEU 71 HG LEU 71 7.977 19.702 19.029 598 HD11 LEU 71 HD11 LEU 71 9.877 18.340 20.963 599 HD12 LEU 71 HD12 LEU 71 10.050 19.965 20.300 600 HD13 LEU 71 HD13 LEU 71 10.152 18.569 19.232 601 HD21 LEU 71 HD21 LEU 71 7.682 16.968 20.330 602 HD22 LEU 71 HD22 LEU 71 8.093 17.264 18.639 603 HD23 LEU 71 HD23 LEU 71 6.515 17.746 19.256 604 H ARG 72 HN ARG 72 3.670 19.415 22.012 605 HA ARG 72 HA ARG 72 3.334 21.512 23.886 606 HB2 ARG 72 HB2 ARG 72 1.999 18.760 23.846 607 HB3 ARG 72 HB1 ARG 72 1.397 20.194 24.690 608 HG2 ARG 72 HG2 ARG 72 0.913 21.304 22.573 609 HG3 ARG 72 HG1 ARG 72 1.701 20.010 21.669 610 HD2 ARG 72 HD2 ARG 72 -0.671 19.668 21.469 611 HD3 ARG 72 HD1 ARG 72 -0.060 18.418 22.564 612 HE ARG 72 HE ARG 72 -0.990 20.783 23.889 613 HH11 ARG 72 HH11 ARG 72 -1.999 17.615 22.751 614 HH12 ARG 72 HH12 ARG 72 -3.478 17.649 23.656 615 HH21 ARG 72 HH21 ARG 72 -2.932 20.816 25.020 616 HH22 ARG 72 HH22 ARG 72 -3.994 19.445 24.961 617 H LEU 73 HN LEU 73 4.453 18.183 24.081 618 HA LEU 73 HA LEU 73 5.753 17.002 25.467 619 HB2 LEU 73 HB2 LEU 73 6.970 19.539 25.097 620 HB3 LEU 73 HB1 LEU 73 7.185 19.194 26.793 621 HG LEU 73 HG LEU 73 9.124 18.541 25.363 622 HD11 LEU 73 HD11 LEU 73 7.811 16.221 26.793 623 HD12 LEU 73 HD12 LEU 73 8.829 17.466 27.518 624 HD13 LEU 73 HD13 LEU 73 9.519 16.342 26.352 625 HD21 LEU 73 HD21 LEU 73 7.272 16.435 24.196 626 HD22 LEU 73 HD22 LEU 73 9.000 16.608 23.876 627 HD23 LEU 73 HD23 LEU 73 7.880 17.861 23.349 628 H ARG 74 HN ARG 74 3.215 17.710 26.428 629 HA ARG 74 HA ARG 74 3.311 18.408 29.232 630 HB2 ARG 74 HB2 ARG 74 1.006 17.428 27.497 631 HB3 ARG 74 HB1 ARG 74 0.847 18.102 29.116 632 HG2 ARG 74 HG2 ARG 74 1.845 19.579 26.660 633 HG3 ARG 74 HG1 ARG 74 0.257 19.751 27.406 634 HD2 ARG 74 HD2 ARG 74 2.929 20.499 28.657 635 HD3 ARG 74 HD1 ARG 74 1.696 21.614 28.060 636 HE ARG 74 HE ARG 74 0.238 20.417 29.850 637 HH11 ARG 74 HH11 ARG 74 3.628 21.317 30.255 638 HH12 ARG 74 HH12 ARG 74 3.483 21.481 31.977 639 HH21 ARG 74 HH21 ARG 74 0.089 20.642 32.093 640 HH22 ARG 74 HH22 ARG 74 1.491 21.088 33.015 641 H GLY 75 HN GLY 75 3.873 15.562 27.580 642 HA2 GLY 75 HA2 GLY 75 3.502 13.911 29.986 643 HA3 GLY 75 HA1 GLY 75 2.796 13.379 28.457 644 H GLY 76 HN GLY 76 5.825 15.125 28.754 645 HA2 GLY 76 HA2 GLY 76 8.019 14.581 28.526 646 HA3 GLY 76 HA1 GLY 76 7.601 12.946 29.005 647 H1 GLY 195 HN GLY 195 16.334 16.893 21.950 648 HA2 GLY 195 HA2 GLY 195 17.025 16.490 24.750 649 HA3 GLY 195 HA1 GLY 195 17.500 17.833 23.723 650 H SER 196 HN SER 196 14.353 16.520 24.726 651 HA SER 196 HA SER 196 13.402 19.198 25.483 652 HB2 SER 196 HB2 SER 196 11.136 18.044 25.421 653 HB3 SER 196 HB1 SER 196 11.985 18.050 23.875 654 HG SER 196 HG SER 196 11.698 15.898 25.705 655 H ARG 197 HN ARG 197 14.440 19.380 27.479 656 HA ARG 197 HA ARG 197 13.768 17.435 29.627 657 HB2 ARG 197 HB2 ARG 197 16.233 19.231 29.476 658 HB3 ARG 197 HB1 ARG 197 15.924 17.965 30.661 659 HG2 ARG 197 HG2 ARG 197 16.093 16.259 28.854 660 HG3 ARG 197 HG1 ARG 197 16.432 17.542 27.692 661 HD2 ARG 197 HD2 ARG 197 18.478 18.132 28.997 662 HD3 ARG 197 HD1 ARG 197 18.149 16.767 30.076 663 HE ARG 197 HE ARG 197 18.217 15.860 27.401 664 HH11 ARG 197 HH11 ARG 197 20.404 16.968 29.918 665 HH12 ARG 197 HH12 ARG 197 21.774 16.136 29.259 666 HH21 ARG 197 HH21 ARG 197 20.028 14.779 26.545 667 HH22 ARG 197 HH22 ARG 197 21.566 14.907 27.337 668 H GLN 198 HN GLN 198 14.779 20.834 29.151 669 HA GLN 198 HA GLN 198 13.087 21.770 31.368 670 HB2 GLN 198 HB2 GLN 198 15.095 23.238 29.595 671 HB3 GLN 198 HB1 GLN 198 14.220 23.972 30.938 672 HG2 GLN 198 HG2 GLN 198 15.343 22.450 32.514 673 HG3 GLN 198 HG1 GLN 198 16.200 21.683 31.177 674 HE21 GLN 198 HE21 GLN 198 17.905 22.794 30.189 675 HE22 GLN 198 HE22 GLN 198 18.654 24.174 30.901 676 H VAL 199 HN VAL 199 11.729 23.750 30.957 677 HA VAL 199 HA VAL 199 9.909 23.413 28.833 678 HB VAL 199 HB VAL 199 9.163 24.499 30.869 679 HG11 VAL 199 HG11 VAL 199 9.843 26.760 31.567 680 HG12 VAL 199 HG12 VAL 199 11.037 26.809 30.269 681 HG13 VAL 199 HG13 VAL 199 11.204 25.639 31.578 682 HG21 VAL 199 HG21 VAL 199 7.931 26.442 29.964 683 HG22 VAL 199 HG22 VAL 199 7.938 25.101 28.818 684 HG23 VAL 199 HG23 VAL 199 9.005 26.484 28.562 685 H THR 200 HN THR 200 10.082 23.904 26.772 686 HA THR 200 HA THR 200 12.449 25.151 25.715 687 HB THR 200 HB THR 200 9.975 24.151 24.216 688 HG1 THR 200 HG1 THR 200 10.607 22.212 24.738 689 HG21 THR 200 HG21 THR 200 12.865 24.455 23.290 690 HG22 THR 200 HG22 THR 200 11.509 25.479 22.809 691 HG23 THR 200 HG23 THR 200 11.535 23.782 22.341 692 H LYS 201 HN LYS 201 12.587 27.094 24.533 693 HA LYS 201 HA LYS 201 10.332 28.994 24.685 694 HB2 LYS 201 HB2 LYS 201 13.260 29.486 23.923 695 HB3 LYS 201 HB1 LYS 201 12.011 30.723 23.999 696 HG2 LYS 201 HG2 LYS 201 13.290 30.947 25.996 697 HG3 LYS 201 HG1 LYS 201 11.770 30.192 26.477 698 HD2 LYS 201 HD2 LYS 201 12.960 27.958 26.395 699 HD3 LYS 201 HD1 LYS 201 14.463 28.831 26.110 700 HE2 LYS 201 HE2 LYS 201 14.293 29.899 28.296 701 HE3 LYS 201 HE1 LYS 201 12.712 29.156 28.569 702 HZ1 LYS 201 HZ1 LYS 201 15.253 27.662 28.189 703 HZ2 LYS 201 HZ2 LYS 201 13.741 26.989 28.534 704 HZ3 LYS 201 HZ3 LYS 201 14.517 27.960 29.683 705 H VAL 202 HN VAL 202 9.194 29.400 22.896 706 HA VAL 202 HA VAL 202 9.996 28.291 20.302 707 HB VAL 202 HB VAL 202 7.678 27.109 20.211 708 HG11 VAL 202 HG11 VAL 202 9.730 25.776 20.359 709 HG12 VAL 202 HG12 VAL 202 8.466 25.048 21.353 710 HG13 VAL 202 HG13 VAL 202 9.764 25.971 22.114 711 HG21 VAL 202 HG21 VAL 202 7.882 27.425 23.236 712 HG22 VAL 202 HG22 VAL 202 6.688 26.449 22.378 713 HG23 VAL 202 HG23 VAL 202 6.689 28.201 22.192 714 H ASP 203 HN ASP 203 7.870 28.557 18.823 715 HA ASP 203 HA ASP 203 6.815 31.312 19.161 716 HB2 ASP 203 HB2 ASP 203 7.717 30.026 16.532 717 HB3 ASP 203 HB1 ASP 203 7.014 31.632 16.704 718 H CYS 204 HN CYS 204 4.687 31.624 18.492 719 HA CYS 204 HA CYS 204 2.987 29.244 18.271 720 HB2 CYS 204 HB2 CYS 204 2.416 31.004 19.941 721 HB3 CYS 204 HB1 CYS 204 2.236 32.172 18.657 722 HA PRO 205 HA PRO 205 3.675 30.078 13.855 723 HB2 PRO 205 HB2 PRO 205 2.221 27.926 12.841 724 HB3 PRO 205 HB1 PRO 205 3.883 27.820 13.429 725 HG2 PRO 205 HG2 PRO 205 1.316 27.192 14.879 726 HG3 PRO 205 HG1 PRO 205 2.828 26.256 14.824 727 HD2 PRO 205 HD2 PRO 205 2.258 27.787 16.948 728 HD3 PRO 205 HD1 PRO 205 3.922 27.697 16.327 729 H VAL 206 HN VAL 206 0.509 29.918 15.340 730 HA VAL 206 HA VAL 206 -0.963 30.587 12.941 731 HB VAL 206 HB VAL 206 -1.955 30.620 15.828 732 HG11 VAL 206 HG11 VAL 206 -3.506 30.519 13.210 733 HG12 VAL 206 HG12 VAL 206 -3.420 31.886 14.320 734 HG13 VAL 206 HG13 VAL 206 -4.212 30.397 14.826 735 HG21 VAL 206 HG21 VAL 206 -1.083 28.385 15.239 736 HG22 VAL 206 HG22 VAL 206 -2.089 28.351 13.791 737 HG23 VAL 206 HG23 VAL 206 -2.842 28.341 15.387 738 H CYS 207 HN CYS 207 -0.220 32.400 15.990 739 HA CYS 207 HA CYS 207 -1.104 34.901 14.669 740 HB2 CYS 207 HB2 CYS 207 -1.484 35.865 16.838 741 HB3 CYS 207 HB1 CYS 207 -2.225 34.270 16.838 742 H GLY 208 HN GLY 208 1.719 33.265 15.470 743 HA2 GLY 208 HA2 GLY 208 3.913 33.774 15.075 744 HA3 GLY 208 HA1 GLY 208 3.373 35.289 14.374 745 H VAL 209 HN VAL 209 3.259 33.973 17.716 746 HA VAL 209 HA VAL 209 4.833 36.311 18.667 747 HB VAL 209 HB VAL 209 3.647 36.238 20.819 748 HG11 VAL 209 HG11 VAL 209 2.687 37.674 19.071 749 HG12 VAL 209 HG12 VAL 209 1.417 37.034 20.112 750 HG13 VAL 209 HG13 VAL 209 1.672 36.342 18.508 751 HG21 VAL 209 HG21 VAL 209 3.131 33.833 20.955 752 HG22 VAL 209 HG22 VAL 209 1.950 33.993 19.654 753 HG23 VAL 209 HG23 VAL 209 1.676 34.794 21.202 754 H ASN 210 HN ASN 210 6.609 35.889 19.976 755 HA ASN 210 HA ASN 210 7.413 33.101 20.324 756 HB2 ASN 210 HB2 ASN 210 9.112 34.718 19.529 757 HB3 ASN 210 HB1 ASN 210 8.943 35.644 21.019 758 HD21 ASN 210 HD21 ASN 210 9.980 32.561 19.683 759 HD22 ASN 210 HD22 ASN 210 11.023 32.133 20.993 760 H ILE 211 HN ILE 211 7.289 32.014 22.172 761 HA ILE 211 HA ILE 211 6.685 33.173 24.776 762 HB ILE 211 HB ILE 211 4.522 31.734 24.899 763 HG12 ILE 211 HG12 ILE 211 4.884 31.805 21.867 764 HG13 ILE 211 HG11 ILE 211 4.865 30.373 22.890 765 HG21 ILE 211 HG21 ILE 211 3.053 33.475 23.964 766 HG22 ILE 211 HG22 ILE 211 4.415 34.172 23.087 767 HG23 ILE 211 HG23 ILE 211 4.399 34.196 24.850 768 HD11 ILE 211 HD11 ILE 211 2.543 32.201 22.334 769 HD12 ILE 211 HD12 ILE 211 2.508 30.788 23.392 770 HD13 ILE 211 HD13 ILE 211 2.814 30.592 21.668 771 HA PRO 212 HA PRO 212 8.479 29.157 25.958 772 HB2 PRO 212 HB2 PRO 212 7.387 28.745 28.445 773 HB3 PRO 212 HB1 PRO 212 8.700 29.892 28.131 774 HG2 PRO 212 HG2 PRO 212 5.747 30.420 28.413 775 HG3 PRO 212 HG1 PRO 212 7.119 31.332 29.084 776 HD2 PRO 212 HD2 PRO 212 5.789 32.142 26.846 777 HD3 PRO 212 HD1 PRO 212 7.524 32.445 27.075 778 H GLU 213 HN GLU 213 7.842 26.945 26.668 779 HA GLU 213 HA GLU 213 6.286 25.902 24.612 780 HB2 GLU 213 HB2 GLU 213 8.261 24.834 25.507 781 HB3 GLU 213 HB1 GLU 213 7.499 24.618 27.068 782 HG2 GLU 213 HG2 GLU 213 5.869 23.047 25.969 783 HG3 GLU 213 HG1 GLU 213 6.812 23.189 24.488 784 H SER 214 HN SER 214 5.420 26.030 28.119 785 HA SER 214 HA SER 214 2.987 24.550 27.774 786 HB2 SER 214 HB2 SER 214 4.083 24.704 29.988 787 HB3 SER 214 HB1 SER 214 3.759 26.434 30.040 788 HG SER 214 HG SER 214 1.450 25.177 29.575 789 H HIS 215 HN HIS 215 3.868 27.950 27.626 790 HA HIS 215 HA HIS 215 1.212 29.021 27.437 791 HB2 HIS 215 HB2 HIS 215 3.948 30.190 26.806 792 HB3 HIS 215 HB1 HIS 215 2.466 31.092 26.497 793 HD1 HIS 215 HD1 HIS 215 2.415 32.822 28.247 794 HD2 HIS 215 HD2 HIS 215 3.433 29.110 29.812 795 HE1 HIS 215 HE1 HIS 215 2.587 33.159 30.722 796 HE2 HIS 215 HE2 HIS 215 3.316 30.933 31.639 797 H ILE 216 HN ILE 216 3.485 27.690 25.097 798 HA ILE 216 HA ILE 216 2.158 28.707 22.768 799 HB ILE 216 HB ILE 216 4.645 27.677 23.066 800 HG12 ILE 216 HG12 ILE 216 3.759 28.926 21.055 801 HG13 ILE 216 HG11 ILE 216 4.931 27.681 20.658 802 HG21 ILE 216 HG21 ILE 216 4.916 25.478 21.998 803 HG22 ILE 216 HG22 ILE 216 3.164 25.298 21.897 804 HG23 ILE 216 HG23 ILE 216 3.953 25.355 23.467 805 HD11 ILE 216 HD11 ILE 216 1.946 27.538 20.295 806 HD12 ILE 216 HD12 ILE 216 3.060 26.204 19.989 807 HD13 ILE 216 HD13 ILE 216 3.179 27.681 19.045 808 H ASN 217 HN ASN 217 1.952 25.751 24.689 809 HA ASN 217 HA ASN 217 0.191 24.235 23.140 810 HB2 ASN 217 HB2 ASN 217 1.303 23.267 25.087 811 HB3 ASN 217 HB1 ASN 217 0.513 24.411 26.167 812 HD21 ASN 217 HD21 ASN 217 -0.225 22.590 27.385 813 HD22 ASN 217 HD22 ASN 217 -1.586 21.666 26.861 814 H LYS 218 HN LYS 218 -0.573 26.535 25.782 815 HA LYS 218 HA LYS 218 -3.405 26.409 25.413 816 HB2 LYS 218 HB2 LYS 218 -2.414 27.000 27.578 817 HB3 LYS 218 HB1 LYS 218 -1.710 28.461 26.900 818 HG2 LYS 218 HG2 LYS 218 -3.739 28.906 28.276 819 HG3 LYS 218 HG1 LYS 218 -3.913 29.462 26.610 820 HD2 LYS 218 HD2 LYS 218 -5.983 28.383 27.415 821 HD3 LYS 218 HD1 LYS 218 -5.291 27.491 26.064 822 HE2 LYS 218 HE2 LYS 218 -6.112 25.953 27.788 823 HE3 LYS 218 HE1 LYS 218 -4.357 25.829 27.658 824 HZ1 LYS 218 HZ1 LYS 218 -4.155 27.248 29.603 825 HZ2 LYS 218 HZ2 LYS 218 -5.076 25.873 29.952 826 HZ3 LYS 218 HZ3 LYS 218 -5.839 27.365 29.722 827 H HIS 219 HN HIS 219 -0.897 28.502 24.077 828 HA HIS 219 HA HIS 219 -2.548 30.583 23.154 829 HB2 HIS 219 HB2 HIS 219 0.250 29.968 22.918 830 HB3 HIS 219 HB1 HIS 219 -0.329 30.245 21.283 831 HD2 HIS 219 HD2 HIS 219 0.040 32.161 24.679 832 HE1 HIS 219 HE1 HIS 219 -0.772 34.960 21.619 833 HE2 HIS 219 HE2 HIS 219 -0.128 34.662 24.044 834 H LEU 220 HN LEU 220 -1.463 27.591 21.606 835 HA LEU 220 HA LEU 220 -2.764 28.048 19.114 836 HB2 LEU 220 HB2 LEU 220 -1.950 25.433 20.407 837 HB3 LEU 220 HB1 LEU 220 -2.426 25.631 18.721 838 HG LEU 220 HG LEU 220 0.013 26.835 20.045 839 HD11 LEU 220 HD11 LEU 220 -0.244 24.605 18.038 840 HD12 LEU 220 HD12 LEU 220 0.209 24.457 19.738 841 HD13 LEU 220 HD13 LEU 220 1.265 25.313 18.620 842 HD21 LEU 220 HD21 LEU 220 -0.843 28.368 18.337 843 HD22 LEU 220 HD22 LEU 220 -0.871 27.065 17.149 844 HD23 LEU 220 HD23 LEU 220 0.664 27.625 17.813 845 H ASP 221 HN ASP 221 -3.691 26.476 22.120 846 HA ASP 221 HA ASP 221 -5.977 25.103 21.311 847 HB2 ASP 221 HB2 ASP 221 -4.784 24.979 23.555 848 HB3 ASP 221 HB1 ASP 221 -5.583 26.479 24.001 849 H SER 222 HN SER 222 -5.501 28.482 22.093 850 HA SER 222 HA SER 222 -8.310 29.204 21.651 851 HB2 SER 222 HB2 SER 222 -7.026 30.241 23.507 852 HB3 SER 222 HB1 SER 222 -5.888 30.920 22.343 853 HG SER 222 HG SER 222 -8.554 31.635 22.879 854 H CYS 223 HN CYS 223 -5.178 29.411 19.984 855 HA CYS 223 HA CYS 223 -5.976 31.479 18.140 856 HB2 CYS 223 HB2 CYS 223 -3.438 29.829 18.382 857 HB3 CYS 223 HB1 CYS 223 -3.680 31.020 17.110 858 H LEU 224 HN LEU 224 -6.055 27.995 18.088 859 HA LEU 224 HA LEU 224 -6.036 27.628 15.247 860 HB2 LEU 224 HB2 LEU 224 -6.763 25.304 15.715 861 HB3 LEU 224 HB1 LEU 224 -5.380 25.788 16.665 862 HG LEU 224 HG LEU 224 -7.029 26.151 18.624 863 HD11 LEU 224 HD11 LEU 224 -8.863 24.459 16.908 864 HD12 LEU 224 HD12 LEU 224 -9.159 26.110 17.462 865 HD13 LEU 224 HD13 LEU 224 -9.079 24.795 18.629 866 HD21 LEU 224 HD21 LEU 224 -6.535 23.331 17.620 867 HD22 LEU 224 HD22 LEU 224 -6.927 23.784 19.282 868 HD23 LEU 224 HD23 LEU 224 -5.413 24.320 18.561 869 H SER 225 HN SER 225 -8.360 28.590 17.531 870 HA SER 225 HA SER 225 -10.774 28.085 16.136 871 HB2 SER 225 HB2 SER 225 -10.198 30.258 18.196 872 HB3 SER 225 HB1 SER 225 -11.774 29.565 17.796 873 HG SER 225 HG SER 225 -9.831 28.643 19.481 874 H ARG 226 HN ARG 226 -11.139 28.901 14.187 875 HA ARG 226 HA ARG 226 -10.834 31.759 13.614 876 HB2 ARG 226 HB2 ARG 226 -9.805 31.153 11.333 877 HB3 ARG 226 HB1 ARG 226 -8.739 30.990 12.723 878 HG2 ARG 226 HG2 ARG 226 -8.945 28.590 12.710 879 HG3 ARG 226 HG1 ARG 226 -10.236 28.648 11.508 880 HD2 ARG 226 HD2 ARG 226 -7.381 29.558 10.998 881 HD3 ARG 226 HD1 ARG 226 -8.019 27.965 10.577 882 HE ARG 226 HE ARG 226 -9.611 29.081 9.089 883 HH11 ARG 226 HH11 ARG 226 -6.755 30.940 9.976 884 HH12 ARG 226 HH12 ARG 226 -6.878 31.996 8.605 885 HH21 ARG 226 HH21 ARG 226 -9.756 30.477 7.321 886 HH22 ARG 226 HH22 ARG 226 -8.580 31.735 7.108 887 H GLU 227 HN GLU 227 -13.072 30.193 14.236 888 HA GLU 227 HA GLU 227 -14.542 29.508 11.861 889 HB2 GLU 227 HB2 GLU 227 -16.505 29.182 13.376 890 HB3 GLU 227 HB1 GLU 227 -15.102 28.236 13.832 891 HG2 GLU 227 HG2 GLU 227 -15.810 30.842 15.197 892 HG3 GLU 227 HG1 GLU 227 -16.494 29.309 15.704 Start of MODEL 3 1 H1 GLY -2 HT1 GLY -2 -2.277 6.657 0.891 2 H2 GLY -2 HT2 GLY -2 -2.924 5.210 0.326 3 H3 GLY -2 HT3 GLY -2 -1.957 6.154 -0.690 4 HA2 GLY -2 HA1 GLY -2 -1.087 4.724 1.756 5 HA3 GLY -2 HA2 GLY -2 -0.693 4.285 0.101 6 H SER -1 HN SER -1 1.461 4.475 1.511 7 HA SER -1 HA SER -1 2.696 7.051 1.548 8 HB2 SER -1 HB2 SER -1 3.877 4.241 1.578 9 HB3 SER -1 HB1 SER -1 4.823 5.715 1.820 10 HG SER -1 HG SER -1 3.379 6.171 3.602 11 H HIS 0 HN HIS 0 3.340 8.212 -0.213 12 HA HIS 0 HA HIS 0 4.485 6.901 -2.540 13 HB2 HIS 0 HB2 HIS 0 1.984 6.813 -2.950 14 HB3 HIS 0 HB1 HIS 0 1.950 8.573 -2.901 15 HD1 HIS 0 HD1 HIS 0 1.390 9.083 -5.317 16 HD2 HIS 0 HD2 HIS 0 4.546 6.399 -4.959 17 HE1 HIS 0 HE1 HIS 0 2.294 8.778 -7.634 18 HE2 HIS 0 HE2 HIS 0 4.319 7.327 -7.355 19 H MET 1 HN MET 1 2.956 10.106 -1.950 20 HA MET 1 HA MET 1 5.210 11.465 -3.205 21 HB2 MET 1 HB2 MET 1 2.693 12.626 -1.929 22 HB3 MET 1 HB1 MET 1 3.857 13.521 -2.904 23 HG2 MET 1 HG2 MET 1 2.077 11.272 -3.870 24 HG3 MET 1 HG1 MET 1 1.864 12.996 -4.194 25 HE1 MET 1 HE1 MET 1 1.788 12.779 -6.802 26 HE2 MET 1 HE2 MET 1 1.793 11.027 -6.580 27 HE3 MET 1 HE3 MET 1 2.904 11.774 -7.728 28 H GLN 2 HN GLN 2 6.109 13.432 -2.099 29 HA GLN 2 HA GLN 2 6.592 12.956 0.776 30 HB2 GLN 2 HB2 GLN 2 8.448 14.106 -1.337 31 HB3 GLN 2 HB1 GLN 2 8.761 14.237 0.387 32 HG2 GLN 2 HG2 GLN 2 10.006 12.359 -0.056 33 HG3 GLN 2 HG1 GLN 2 8.473 11.575 0.291 34 HE21 GLN 2 HE21 GLN 2 10.676 10.583 -1.270 35 HE22 GLN 2 HE22 GLN 2 10.074 10.265 -2.849 36 H ILE 3 HN ILE 3 6.221 14.531 2.177 37 HA ILE 3 HA ILE 3 5.894 17.342 1.282 38 HB ILE 3 HB ILE 3 4.210 17.743 3.107 39 HG12 ILE 3 HG12 ILE 3 4.771 15.637 4.465 40 HG13 ILE 3 HG11 ILE 3 3.058 15.974 4.289 41 HG21 ILE 3 HG21 ILE 3 3.285 15.797 0.966 42 HG22 ILE 3 HG22 ILE 3 3.432 17.549 0.809 43 HG23 ILE 3 HG23 ILE 3 2.239 16.862 1.910 44 HD11 ILE 3 HD11 ILE 3 2.881 14.251 2.571 45 HD12 ILE 3 HD12 ILE 3 3.538 13.607 4.073 46 HD13 ILE 3 HD13 ILE 3 4.612 13.926 2.713 47 H PHE 4 HN PHE 4 6.170 18.861 3.164 48 HA PHE 4 HA PHE 4 8.421 17.934 4.874 49 HB2 PHE 4 HB2 PHE 4 8.128 20.655 3.506 50 HB3 PHE 4 HB1 PHE 4 9.471 20.141 4.529 51 HD1 PHE 4 HD1 PHE 4 10.744 17.966 3.759 52 HD2 PHE 4 HD2 PHE 4 8.322 20.344 1.154 53 HE1 PHE 4 HE1 PHE 4 11.901 17.016 1.808 54 HE2 PHE 4 HE2 PHE 4 9.490 19.390 -0.793 55 HZ PHE 4 HZ PHE 4 11.280 17.725 -0.468 56 H VAL 5 HN VAL 5 7.657 17.849 6.866 57 HA VAL 5 HA VAL 5 5.908 19.951 7.969 58 HB VAL 5 HB VAL 5 6.758 17.197 9.012 59 HG11 VAL 5 HG11 VAL 5 5.319 17.594 10.982 60 HG12 VAL 5 HG12 VAL 5 5.068 19.264 10.460 61 HG13 VAL 5 HG13 VAL 5 6.679 18.715 10.924 62 HG21 VAL 5 HG21 VAL 5 4.355 16.662 8.858 63 HG22 VAL 5 HG22 VAL 5 4.968 17.203 7.298 64 HG23 VAL 5 HG23 VAL 5 4.006 18.297 8.290 65 H LYS 6 HN LYS 6 6.746 21.398 9.503 66 HA LYS 6 HA LYS 6 9.655 21.258 10.042 67 HB2 LYS 6 HB2 LYS 6 8.820 22.996 8.301 68 HB3 LYS 6 HB1 LYS 6 8.059 23.825 9.654 69 HG2 LYS 6 HG2 LYS 6 10.094 24.954 9.443 70 HG3 LYS 6 HG1 LYS 6 10.423 23.793 10.733 71 HD2 LYS 6 HD2 LYS 6 11.456 22.263 9.014 72 HD3 LYS 6 HD1 LYS 6 11.236 23.540 7.813 73 HE2 LYS 6 HE2 LYS 6 12.673 25.034 9.251 74 HE3 LYS 6 HE1 LYS 6 12.962 23.650 10.303 75 HZ1 LYS 6 HZ1 LYS 6 13.977 22.498 8.453 76 HZ2 LYS 6 HZ2 LYS 6 14.766 23.960 8.756 77 HZ3 LYS 6 HZ3 LYS 6 13.709 23.825 7.443 78 H THR 7 HN THR 7 10.133 21.244 12.218 79 HA THR 7 HA THR 7 8.051 21.686 14.198 80 HB THR 7 HB THR 7 9.854 21.116 15.859 81 HG1 THR 7 HG1 THR 7 11.867 20.436 15.021 82 HG21 THR 7 HG21 THR 7 10.148 18.755 15.184 83 HG22 THR 7 HG22 THR 7 9.568 19.157 13.568 84 HG23 THR 7 HG23 THR 7 8.487 19.307 14.950 85 H LEU 8 HN LEU 8 8.416 23.039 16.104 86 HA LEU 8 HA LEU 8 9.272 25.721 15.604 87 HB2 LEU 8 HB2 LEU 8 8.613 24.336 18.232 88 HB3 LEU 8 HB1 LEU 8 8.789 26.073 18.020 89 HG LEU 8 HG LEU 8 6.608 24.332 16.805 90 HD11 LEU 8 HD11 LEU 8 6.307 24.704 19.205 91 HD12 LEU 8 HD12 LEU 8 5.083 25.565 18.278 92 HD13 LEU 8 HD13 LEU 8 6.445 26.449 18.969 93 HD21 LEU 8 HD21 LEU 8 5.603 26.422 15.960 94 HD22 LEU 8 HD22 LEU 8 7.186 26.145 15.241 95 HD23 LEU 8 HD23 LEU 8 7.002 27.339 16.531 96 H THR 9 HN THR 9 10.911 22.876 16.770 97 HA THR 9 HA THR 9 13.196 24.259 17.894 98 HB THR 9 HB THR 9 14.266 21.943 17.816 99 HG1 THR 9 HG1 THR 9 12.861 20.209 17.279 100 HG21 THR 9 HG21 THR 9 11.543 22.083 19.172 101 HG22 THR 9 HG22 THR 9 13.055 22.699 19.842 102 HG23 THR 9 HG23 THR 9 12.847 20.967 19.586 103 H GLY 10 HN GLY 10 12.114 23.308 14.736 104 HA2 GLY 10 HA2 GLY 10 12.787 24.570 12.870 105 HA3 GLY 10 HA1 GLY 10 14.347 24.855 13.612 106 H LYS 11 HN LYS 11 13.117 21.606 13.557 107 HA LYS 11 HA LYS 11 15.038 20.847 11.458 108 HB2 LYS 11 HB2 LYS 11 14.955 18.648 12.261 109 HB3 LYS 11 HB1 LYS 11 14.711 19.568 13.741 110 HG2 LYS 11 HG2 LYS 11 12.294 19.178 13.612 111 HG3 LYS 11 HG1 LYS 11 12.511 18.322 12.079 112 HD2 LYS 11 HD2 LYS 11 13.764 17.384 14.691 113 HD3 LYS 11 HD1 LYS 11 12.153 16.887 14.177 114 HE2 LYS 11 HE2 LYS 11 13.636 15.134 13.527 115 HE3 LYS 11 HE1 LYS 11 13.217 15.994 12.051 116 HZ1 LYS 11 HZ1 LYS 11 15.723 16.447 13.572 117 HZ2 LYS 11 HZ2 LYS 11 15.343 17.039 12.035 118 HZ3 LYS 11 HZ3 LYS 11 15.588 15.384 12.266 119 H THR 12 HN THR 12 14.343 19.732 9.555 120 HA THR 12 HA THR 12 11.479 19.954 8.860 121 HB THR 12 HB THR 12 13.832 19.242 7.077 122 HG1 THR 12 HG1 THR 12 13.903 21.329 6.467 123 HG21 THR 12 HG21 THR 12 10.991 20.067 6.334 124 HG22 THR 12 HG22 THR 12 11.662 18.443 6.174 125 HG23 THR 12 HG23 THR 12 12.307 19.755 5.193 126 H ILE 13 HN ILE 13 10.323 18.159 8.285 127 HA ILE 13 HA ILE 13 11.438 15.447 8.713 128 HB ILE 13 HB ILE 13 8.621 16.376 9.480 129 HG12 ILE 13 HG12 ILE 13 9.600 15.597 11.878 130 HG13 ILE 13 HG11 ILE 13 11.127 16.080 11.159 131 HG21 ILE 13 HG21 ILE 13 9.966 13.694 9.907 132 HG22 ILE 13 HG22 ILE 13 8.686 14.047 8.750 133 HG23 ILE 13 HG23 ILE 13 8.356 14.140 10.480 134 HD11 ILE 13 HD11 ILE 13 10.176 17.861 12.465 135 HD12 ILE 13 HD12 ILE 13 8.694 17.825 11.512 136 HD13 ILE 13 HD13 ILE 13 10.215 18.321 10.763 137 H THR 14 HN THR 14 11.452 14.538 6.689 138 HA THR 14 HA THR 14 9.409 15.181 4.686 139 HB THR 14 HB THR 14 11.813 13.309 4.503 140 HG1 THR 14 HG1 THR 14 11.405 16.031 3.864 141 HG21 THR 14 HG21 THR 14 9.980 14.344 2.293 142 HG22 THR 14 HG22 THR 14 10.085 12.668 2.844 143 HG23 THR 14 HG23 THR 14 11.456 13.427 2.031 144 H LEU 15 HN LEU 15 7.573 14.019 4.558 145 HA LEU 15 HA LEU 15 7.442 11.253 5.650 146 HB2 LEU 15 HB2 LEU 15 5.068 13.088 5.119 147 HB3 LEU 15 HB1 LEU 15 5.037 11.545 5.924 148 HG LEU 15 HG LEU 15 4.768 13.112 7.657 149 HD11 LEU 15 HD11 LEU 15 6.449 11.378 8.171 150 HD12 LEU 15 HD12 LEU 15 6.681 12.858 9.083 151 HD13 LEU 15 HD13 LEU 15 7.730 12.500 7.711 152 HD21 LEU 15 HD21 LEU 15 5.354 15.153 6.443 153 HD22 LEU 15 HD22 LEU 15 7.069 14.745 6.538 154 HD23 LEU 15 HD23 LEU 15 6.160 15.100 8.009 155 H GLU 16 HN GLU 16 6.325 9.704 4.430 156 HA GLU 16 HA GLU 16 5.920 10.333 1.570 157 HB2 GLU 16 HB2 GLU 16 6.609 7.616 2.762 158 HB3 GLU 16 HB1 GLU 16 6.318 7.956 1.063 159 HG2 GLU 16 HG2 GLU 16 8.634 7.884 1.124 160 HG3 GLU 16 HG1 GLU 16 8.336 9.612 1.293 161 H VAL 17 HN VAL 17 3.823 10.970 1.779 162 HA VAL 17 HA VAL 17 1.868 8.780 1.800 163 HB VAL 17 HB VAL 17 0.137 10.022 3.042 164 HG11 VAL 17 HG11 VAL 17 0.978 9.929 5.366 165 HG12 VAL 17 HG12 VAL 17 2.631 9.783 4.758 166 HG13 VAL 17 HG13 VAL 17 1.451 8.511 4.428 167 HG21 VAL 17 HG21 VAL 17 2.221 12.162 3.571 168 HG22 VAL 17 HG22 VAL 17 0.596 12.127 4.252 169 HG23 VAL 17 HG23 VAL 17 0.816 12.311 2.513 170 H GLU 18 HN GLU 18 -0.368 10.088 1.077 171 HA GLU 18 HA GLU 18 0.399 11.673 -1.303 172 HB2 GLU 18 HB2 GLU 18 -2.346 10.472 -0.740 173 HB3 GLU 18 HB1 GLU 18 -1.668 10.986 -2.290 174 HG2 GLU 18 HG2 GLU 18 0.088 9.161 -1.984 175 HG3 GLU 18 HG1 GLU 18 -0.877 8.606 -0.621 176 HA PRO 19 HA PRO 19 -1.570 15.439 0.377 177 HB2 PRO 19 HB2 PRO 19 -2.861 16.316 -1.965 178 HB3 PRO 19 HB1 PRO 19 -1.185 16.682 -1.535 179 HG2 PRO 19 HG2 PRO 19 -2.249 14.522 -3.342 180 HG3 PRO 19 HG1 PRO 19 -0.841 15.582 -3.568 181 HD2 PRO 19 HD2 PRO 19 -0.518 13.044 -2.773 182 HD3 PRO 19 HD1 PRO 19 0.493 14.336 -2.083 183 H SER 20 HN SER 20 -3.330 13.004 -1.505 184 HA SER 20 HA SER 20 -5.920 13.754 -0.306 185 HB2 SER 20 HB2 SER 20 -5.707 13.474 -2.815 186 HB3 SER 20 HB1 SER 20 -5.349 11.770 -2.555 187 HG SER 20 HG SER 20 -7.471 11.808 -1.366 188 H ASP 21 HN ASP 21 -3.566 12.214 1.019 189 HA ASP 21 HA ASP 21 -4.641 9.555 1.496 190 HB2 ASP 21 HB2 ASP 21 -2.173 10.044 1.329 191 HB3 ASP 21 HB1 ASP 21 -2.280 10.936 2.834 192 H THR 22 HN THR 22 -3.358 11.405 4.232 193 HA THR 22 HA THR 22 -5.633 12.581 5.308 194 HB THR 22 HB THR 22 -6.548 10.267 5.588 195 HG1 THR 22 HG1 THR 22 -7.057 11.969 7.119 196 HG21 THR 22 HG21 THR 22 -4.253 9.818 7.531 197 HG22 THR 22 HG22 THR 22 -4.455 9.013 5.974 198 HG23 THR 22 HG23 THR 22 -5.618 8.728 7.269 199 H ILE 23 HN ILE 23 -5.248 13.568 7.334 200 HA ILE 23 HA ILE 23 -2.579 14.339 7.887 201 HB ILE 23 HB ILE 23 -5.108 14.771 9.548 202 HG12 ILE 23 HG12 ILE 23 -5.331 15.761 7.283 203 HG13 ILE 23 HG11 ILE 23 -5.254 17.021 8.503 204 HG21 ILE 23 HG21 ILE 23 -2.458 16.247 9.761 205 HG22 ILE 23 HG22 ILE 23 -3.130 15.122 10.941 206 HG23 ILE 23 HG23 ILE 23 -3.940 16.656 10.636 207 HD11 ILE 23 HD11 ILE 23 -3.003 16.170 6.681 208 HD12 ILE 23 HD12 ILE 23 -2.899 17.424 7.919 209 HD13 ILE 23 HD13 ILE 23 -3.978 17.632 6.541 210 H GLU 24 HN GLU 24 -4.838 12.112 9.403 211 HA GLU 24 HA GLU 24 -3.598 11.514 11.827 212 HB2 GLU 24 HB2 GLU 24 -5.881 10.774 11.199 213 HB3 GLU 24 HB1 GLU 24 -5.209 9.667 10.009 214 HG2 GLU 24 HG2 GLU 24 -4.103 8.401 11.848 215 HG3 GLU 24 HG1 GLU 24 -4.844 9.494 13.019 216 H ASN 25 HN ASN 25 -2.998 10.255 8.587 217 HA ASN 25 HA ASN 25 -1.195 8.167 9.417 218 HB2 ASN 25 HB2 ASN 25 -2.656 8.310 7.261 219 HB3 ASN 25 HB1 ASN 25 -1.360 9.279 6.601 220 HD21 ASN 25 HD21 ASN 25 -2.196 6.149 7.901 221 HD22 ASN 25 HD22 ASN 25 -0.904 5.269 7.163 222 H VAL 26 HN VAL 26 -0.930 11.427 8.090 223 HA VAL 26 HA VAL 26 1.834 11.574 7.610 224 HB VAL 26 HB VAL 26 0.030 13.857 8.570 225 HG11 VAL 26 HG11 VAL 26 2.704 14.035 7.111 226 HG12 VAL 26 HG12 VAL 26 2.413 14.468 8.794 227 HG13 VAL 26 HG13 VAL 26 1.657 15.404 7.506 228 HG21 VAL 26 HG21 VAL 26 -0.849 12.803 6.534 229 HG22 VAL 26 HG22 VAL 26 0.702 13.022 5.729 230 HG23 VAL 26 HG23 VAL 26 -0.258 14.428 6.190 231 H LYS 27 HN LYS 27 0.005 12.312 10.602 232 HA LYS 27 HA LYS 27 2.298 13.125 12.112 233 HB2 LYS 27 HB2 LYS 27 0.808 13.206 14.048 234 HB3 LYS 27 HB1 LYS 27 0.088 13.992 12.650 235 HG2 LYS 27 HG2 LYS 27 -1.324 11.981 12.274 236 HG3 LYS 27 HG1 LYS 27 -0.639 11.254 13.731 237 HD2 LYS 27 HD2 LYS 27 -2.779 12.224 14.309 238 HD3 LYS 27 HD1 LYS 27 -1.512 13.196 15.059 239 HE2 LYS 27 HE2 LYS 27 -1.728 14.802 13.098 240 HE3 LYS 27 HE1 LYS 27 -3.136 13.872 12.588 241 HZ1 LYS 27 HZ1 LYS 27 -3.840 15.753 13.867 242 HZ2 LYS 27 HZ2 LYS 27 -2.832 15.333 15.151 243 HZ3 LYS 27 HZ3 LYS 27 -4.150 14.352 14.757 244 H ALA 28 HN ALA 28 0.645 10.045 11.646 245 HA ALA 28 HA ALA 28 2.111 8.500 13.523 246 HB1 ALA 28 HB1 ALA 28 1.417 6.569 12.167 247 HB2 ALA 28 HB2 ALA 28 0.950 7.642 10.845 248 HB3 ALA 28 HB3 ALA 28 0.073 7.692 12.375 249 H LYS 29 HN LYS 29 2.795 9.479 10.174 250 HA LYS 29 HA LYS 29 5.201 8.033 9.809 251 HB2 LYS 29 HB2 LYS 29 4.328 10.600 8.429 252 HB3 LYS 29 HB1 LYS 29 5.657 9.575 7.906 253 HG2 LYS 29 HG2 LYS 29 2.736 8.809 7.949 254 HG3 LYS 29 HG1 LYS 29 3.655 9.284 6.528 255 HD2 LYS 29 HD2 LYS 29 4.396 7.161 6.215 256 HD3 LYS 29 HD1 LYS 29 5.017 7.072 7.861 257 HE2 LYS 29 HE2 LYS 29 2.157 6.517 7.024 258 HE3 LYS 29 HE1 LYS 29 3.373 5.293 7.405 259 HZ1 LYS 29 HZ1 LYS 29 3.496 6.212 9.650 260 HZ2 LYS 29 HZ2 LYS 29 1.946 5.652 9.281 261 HZ3 LYS 29 HZ3 LYS 29 2.265 7.313 9.273 262 H ILE 30 HN ILE 30 4.495 11.232 11.100 263 HA ILE 30 HA ILE 30 7.124 12.248 11.308 264 HB ILE 30 HB ILE 30 4.579 12.905 12.823 265 HG12 ILE 30 HG12 ILE 30 5.998 14.483 10.617 266 HG13 ILE 30 HG11 ILE 30 4.719 13.318 10.298 267 HG21 ILE 30 HG21 ILE 30 7.190 14.473 12.881 268 HG22 ILE 30 HG22 ILE 30 6.468 13.605 14.236 269 HG23 ILE 30 HG23 ILE 30 5.650 15.012 13.563 270 HD11 ILE 30 HD11 ILE 30 3.181 14.639 11.600 271 HD12 ILE 30 HD12 ILE 30 3.896 15.558 10.277 272 HD13 ILE 30 HD13 ILE 30 4.457 15.812 11.927 273 H GLN 31 HN GLN 31 5.108 10.356 13.548 274 HA GLN 31 HA GLN 31 6.927 10.211 15.717 275 HB2 GLN 31 HB2 GLN 31 4.531 9.613 15.924 276 HB3 GLN 31 HB1 GLN 31 4.779 8.205 14.894 277 HG2 GLN 31 HG2 GLN 31 6.298 7.236 16.589 278 HG3 GLN 31 HG1 GLN 31 6.069 8.654 17.608 279 HE21 GLN 31 HE21 GLN 31 3.449 7.103 15.799 280 HE22 GLN 31 HE22 GLN 31 2.598 6.556 17.198 281 H ASP 32 HN ASP 32 6.646 8.323 12.734 282 HA ASP 32 HA ASP 32 8.642 6.374 13.361 283 HB2 ASP 32 HB2 ASP 32 7.114 5.911 11.543 284 HB3 ASP 32 HB1 ASP 32 7.549 7.398 10.712 285 H LYS 33 HN LYS 33 8.817 9.687 12.095 286 HA LYS 33 HA LYS 33 11.520 9.300 11.023 287 HB2 LYS 33 HB2 LYS 33 9.797 11.809 11.046 288 HB3 LYS 33 HB1 LYS 33 11.317 11.620 10.181 289 HG2 LYS 33 HG2 LYS 33 8.790 10.051 9.621 290 HG3 LYS 33 HG1 LYS 33 9.313 11.478 8.731 291 HD2 LYS 33 HD2 LYS 33 11.304 10.283 7.944 292 HD3 LYS 33 HD1 LYS 33 10.849 8.855 8.885 293 HE2 LYS 33 HE2 LYS 33 8.798 8.610 7.533 294 HE3 LYS 33 HE1 LYS 33 9.221 10.055 6.612 295 HZ1 LYS 33 HZ1 LYS 33 11.244 8.910 5.893 296 HZ2 LYS 33 HZ2 LYS 33 9.842 8.119 5.394 297 HZ3 LYS 33 HZ3 LYS 33 10.735 7.508 6.691 298 H GLU 34 HN GLU 34 10.083 11.895 13.109 299 HA GLU 34 HA GLU 34 12.724 12.429 14.215 300 HB2 GLU 34 HB2 GLU 34 11.790 14.408 15.229 301 HB3 GLU 34 HB1 GLU 34 11.316 14.332 13.539 302 HG2 GLU 34 HG2 GLU 34 9.051 13.671 14.156 303 HG3 GLU 34 HG1 GLU 34 9.507 13.581 15.859 304 H GLY 35 HN GLY 35 9.828 10.765 15.150 305 HA2 GLY 35 HA2 GLY 35 9.806 9.010 16.686 306 HA3 GLY 35 HA1 GLY 35 11.272 9.623 17.418 307 H ILE 36 HN ILE 36 8.546 11.720 16.837 308 HA ILE 36 HA ILE 36 7.984 11.800 19.751 309 HB ILE 36 HB ILE 36 7.829 14.035 17.674 310 HG12 ILE 36 HG12 ILE 36 9.094 15.307 19.534 311 HG13 ILE 36 HG11 ILE 36 9.235 13.776 20.385 312 HG21 ILE 36 HG21 ILE 36 6.720 15.477 19.398 313 HG22 ILE 36 HG22 ILE 36 6.514 14.056 20.428 314 HG23 ILE 36 HG23 ILE 36 5.695 14.144 18.869 315 HD11 ILE 36 HD11 ILE 36 10.401 14.417 17.688 316 HD12 ILE 36 HD12 ILE 36 10.581 12.889 18.555 317 HD13 ILE 36 HD13 ILE 36 11.269 14.370 19.220 318 HA PRO 37 HA PRO 37 4.169 9.783 18.582 319 HB2 PRO 37 HB2 PRO 37 2.780 10.047 20.950 320 HB3 PRO 37 HB1 PRO 37 4.104 8.898 20.729 321 HG2 PRO 37 HG2 PRO 37 4.160 11.640 21.986 322 HG3 PRO 37 HG1 PRO 37 4.901 10.129 22.561 323 HD2 PRO 37 HD2 PRO 37 6.342 12.021 21.269 324 HD3 PRO 37 HD1 PRO 37 6.697 10.294 21.074 325 HA PRO 38 HA PRO 38 1.376 12.904 16.943 326 HB2 PRO 38 HB2 PRO 38 -1.063 11.489 17.160 327 HB3 PRO 38 HB1 PRO 38 0.077 11.398 15.814 328 HG2 PRO 38 HG2 PRO 38 -0.216 9.570 18.180 329 HG3 PRO 38 HG1 PRO 38 0.112 9.168 16.481 330 HD2 PRO 38 HD2 PRO 38 2.078 9.129 18.296 331 HD3 PRO 38 HD1 PRO 38 2.385 9.745 16.656 332 H ASP 39 HN ASP 39 0.887 11.640 20.141 333 HA ASP 39 HA ASP 39 -1.107 13.518 21.018 334 HB2 ASP 39 HB2 ASP 39 -0.719 11.336 22.151 335 HB3 ASP 39 HB1 ASP 39 0.886 11.871 22.643 336 H GLN 40 HN GLN 40 2.450 13.437 21.101 337 HA GLN 40 HA GLN 40 2.669 15.861 22.714 338 HB2 GLN 40 HB2 GLN 40 4.613 13.799 21.678 339 HB3 GLN 40 HB1 GLN 40 5.235 15.383 22.114 340 HG2 GLN 40 HG2 GLN 40 5.322 13.482 23.870 341 HG3 GLN 40 HG1 GLN 40 4.859 15.099 24.370 342 HE21 GLN 40 HE21 GLN 40 3.728 11.843 23.866 343 HE22 GLN 40 HE22 GLN 40 2.216 12.043 24.670 344 H GLN 41 HN GLN 41 3.116 14.896 19.343 345 HA GLN 41 HA GLN 41 3.993 17.598 18.602 346 HB2 GLN 41 HB2 GLN 41 4.199 16.649 16.304 347 HB3 GLN 41 HB1 GLN 41 5.162 15.816 17.506 348 HG2 GLN 41 HG2 GLN 41 4.365 13.991 16.399 349 HG3 GLN 41 HG1 GLN 41 3.062 14.176 17.556 350 HE21 GLN 41 HE21 GLN 41 4.022 14.695 14.257 351 HE22 GLN 41 HE22 GLN 41 2.443 14.844 13.593 352 H ARG 42 HN ARG 42 2.766 18.973 17.192 353 HA ARG 42 HA ARG 42 -0.114 18.341 16.932 354 HB2 ARG 42 HB2 ARG 42 0.598 19.888 18.923 355 HB3 ARG 42 HB1 ARG 42 0.886 21.118 17.691 356 HG2 ARG 42 HG2 ARG 42 -1.456 21.073 17.029 357 HG3 ARG 42 HG1 ARG 42 -1.764 19.693 18.091 358 HD2 ARG 42 HD2 ARG 42 -1.021 21.173 20.025 359 HD3 ARG 42 HD1 ARG 42 -1.087 22.528 18.893 360 HE ARG 42 HE ARG 42 -3.527 21.256 18.691 361 HH11 ARG 42 HH11 ARG 42 -1.792 22.911 21.261 362 HH12 ARG 42 HH12 ARG 42 -3.241 23.353 22.110 363 HH21 ARG 42 HH21 ARG 42 -5.400 21.805 19.837 364 HH22 ARG 42 HH22 ARG 42 -5.273 22.728 21.303 365 H LEU 43 HN LEU 43 -0.991 18.873 15.016 366 HA LEU 43 HA LEU 43 0.811 19.827 12.893 367 HB2 LEU 43 HB2 LEU 43 -1.709 18.144 12.925 368 HB3 LEU 43 HB1 LEU 43 -1.262 18.973 11.450 369 HG LEU 43 HG LEU 43 -0.503 16.668 11.362 370 HD11 LEU 43 HD11 LEU 43 1.840 17.035 10.773 371 HD12 LEU 43 HD12 LEU 43 1.856 18.557 11.671 372 HD13 LEU 43 HD13 LEU 43 0.846 18.390 10.234 373 HD21 LEU 43 HD21 LEU 43 1.170 15.772 12.906 374 HD22 LEU 43 HD22 LEU 43 -0.298 16.228 13.763 375 HD23 LEU 43 HD23 LEU 43 1.130 17.264 13.849 376 H ILE 44 HN ILE 44 0.619 21.817 12.106 377 HA ILE 44 HA ILE 44 -1.992 23.156 11.928 378 HB ILE 44 HB ILE 44 0.487 24.447 13.178 379 HG12 ILE 44 HG12 ILE 44 -2.289 24.102 14.428 380 HG13 ILE 44 HG11 ILE 44 -0.984 22.952 14.669 381 HG21 ILE 44 HG21 ILE 44 -2.162 25.785 12.480 382 HG22 ILE 44 HG22 ILE 44 -0.604 26.094 11.714 383 HG23 ILE 44 HG23 ILE 44 -0.855 26.536 13.401 384 HD11 ILE 44 HD11 ILE 44 -0.927 25.837 15.482 385 HD12 ILE 44 HD12 ILE 44 0.336 24.631 15.768 386 HD13 ILE 44 HD13 ILE 44 -1.243 24.454 16.531 387 H PHE 45 HN PHE 45 -2.236 24.059 9.942 388 HA PHE 45 HA PHE 45 0.120 25.085 8.470 389 HB2 PHE 45 HB2 PHE 45 -0.447 22.953 7.395 390 HB3 PHE 45 HB1 PHE 45 -2.148 23.395 7.313 391 HD1 PHE 45 HD2 PHE 45 1.232 24.209 5.956 392 HD2 PHE 45 HD1 PHE 45 -2.989 24.705 5.453 393 HE1 PHE 45 HE2 PHE 45 1.602 25.144 3.712 394 HE2 PHE 45 HE1 PHE 45 -2.604 25.645 3.215 395 HZ PHE 45 HZ PHE 45 -0.314 25.864 2.337 396 H ALA 46 HN ALA 46 -0.223 27.128 7.818 397 HA ALA 46 HA ALA 46 -1.152 29.136 7.355 398 HB1 ALA 46 HB1 ALA 46 -3.263 29.192 6.085 399 HB2 ALA 46 HB2 ALA 46 -3.599 27.520 6.544 400 HB3 ALA 46 HB3 ALA 46 -2.219 27.892 5.511 401 H GLY 47 HN GLY 47 -1.568 27.857 10.080 402 HA2 GLY 47 HA2 GLY 47 -2.103 29.032 12.030 403 HA3 GLY 47 HA1 GLY 47 -3.260 30.007 11.146 404 H LYS 48 HN LYS 48 -4.049 26.993 10.178 405 HA LYS 48 HA LYS 48 -6.074 26.637 12.319 406 HB2 LYS 48 HB2 LYS 48 -7.416 25.454 10.651 407 HB3 LYS 48 HB1 LYS 48 -6.929 27.019 10.011 408 HG2 LYS 48 HG2 LYS 48 -4.963 25.617 8.918 409 HG3 LYS 48 HG1 LYS 48 -6.047 24.259 9.176 410 HD2 LYS 48 HD2 LYS 48 -6.330 25.073 6.920 411 HD3 LYS 48 HD1 LYS 48 -7.793 25.446 7.845 412 HE2 LYS 48 HE2 LYS 48 -6.885 27.783 8.175 413 HE3 LYS 48 HE1 LYS 48 -5.578 27.368 7.062 414 HZ1 LYS 48 HZ1 LYS 48 -8.481 27.416 6.470 415 HZ2 LYS 48 HZ2 LYS 48 -7.309 26.849 5.403 416 HZ3 LYS 48 HZ3 LYS 48 -7.306 28.469 5.871 417 H GLN 49 HN GLN 49 -6.250 24.699 13.405 418 HA GLN 49 HA GLN 49 -3.992 22.910 13.438 419 HB2 GLN 49 HB2 GLN 49 -5.295 23.480 15.498 420 HB3 GLN 49 HB1 GLN 49 -6.692 22.631 14.847 421 HG2 GLN 49 HG2 GLN 49 -5.321 20.517 14.835 422 HG3 GLN 49 HG1 GLN 49 -4.023 21.405 15.631 423 HE21 GLN 49 HE21 GLN 49 -7.470 21.810 16.325 424 HE22 GLN 49 HE22 GLN 49 -7.409 21.165 17.925 425 H LEU 50 HN LEU 50 -3.803 20.956 12.421 426 HA LEU 50 HA LEU 50 -5.721 20.339 10.345 427 HB2 LEU 50 HB2 LEU 50 -3.171 18.839 10.988 428 HB3 LEU 50 HB1 LEU 50 -4.085 18.818 9.488 429 HG LEU 50 HG LEU 50 -2.351 21.063 10.568 430 HD11 LEU 50 HD11 LEU 50 -1.122 20.779 8.491 431 HD12 LEU 50 HD12 LEU 50 -2.189 19.446 8.039 432 HD13 LEU 50 HD13 LEU 50 -1.154 19.309 9.462 433 HD21 LEU 50 HD21 LEU 50 -4.394 22.113 9.658 434 HD22 LEU 50 HD22 LEU 50 -4.175 21.235 8.141 435 HD23 LEU 50 HD23 LEU 50 -2.994 22.443 8.646 436 H GLU 51 HN GLU 51 -7.355 18.979 10.647 437 HA GLU 51 HA GLU 51 -7.659 17.359 12.997 438 HB2 GLU 51 HB2 GLU 51 -9.585 18.567 12.197 439 HB3 GLU 51 HB1 GLU 51 -9.401 17.936 10.568 440 HG2 GLU 51 HG2 GLU 51 -10.103 15.716 11.296 441 HG3 GLU 51 HG1 GLU 51 -10.171 16.249 12.975 442 H ASP 52 HN ASP 52 -7.626 15.165 13.100 443 HA ASP 52 HA ASP 52 -5.787 13.727 11.607 444 HB2 ASP 52 HB2 ASP 52 -8.047 12.774 13.418 445 HB3 ASP 52 HB1 ASP 52 -6.810 11.693 12.772 446 H GLY 53 HN GLY 53 -9.349 13.570 11.473 447 HA2 GLY 53 HA2 GLY 53 -9.597 11.459 9.628 448 HA3 GLY 53 HA1 GLY 53 -10.841 12.622 10.032 449 H ARG 54 HN ARG 54 -9.083 14.889 9.102 450 HA ARG 54 HA ARG 54 -9.980 14.932 6.365 451 HB2 ARG 54 HB2 ARG 54 -8.436 16.936 8.039 452 HB3 ARG 54 HB1 ARG 54 -8.920 17.245 6.369 453 HG2 ARG 54 HG2 ARG 54 -11.295 16.901 7.052 454 HG3 ARG 54 HG1 ARG 54 -10.767 16.715 8.720 455 HD2 ARG 54 HD2 ARG 54 -9.898 18.975 8.731 456 HD3 ARG 54 HD1 ARG 54 -10.321 19.213 7.037 457 HE ARG 54 HE ARG 54 -12.290 18.781 9.221 458 HH11 ARG 54 HH11 ARG 54 -11.444 20.303 6.170 459 HH12 ARG 54 HH12 ARG 54 -12.910 21.229 6.103 460 HH21 ARG 54 HH21 ARG 54 -14.164 20.024 9.118 461 HH22 ARG 54 HH22 ARG 54 -14.432 21.079 7.769 462 H THR 55 HN THR 55 -8.369 16.026 4.748 463 HA THR 55 HA THR 55 -5.911 14.358 4.656 464 HB THR 55 HB THR 55 -6.016 14.615 2.162 465 HG1 THR 55 HG1 THR 55 -8.691 15.496 2.374 466 HG21 THR 55 HG21 THR 55 -6.962 12.595 3.203 467 HG22 THR 55 HG22 THR 55 -7.863 13.044 1.754 468 HG23 THR 55 HG23 THR 55 -8.530 13.391 3.352 469 H LEU 56 HN LEU 56 -4.101 15.330 3.490 470 HA LEU 56 HA LEU 56 -3.287 17.854 4.365 471 HB2 LEU 56 HB2 LEU 56 -2.383 16.214 1.967 472 HB3 LEU 56 HB1 LEU 56 -1.568 17.688 2.464 473 HG LEU 56 HG LEU 56 -1.802 15.189 4.203 474 HD11 LEU 56 HD11 LEU 56 0.566 14.782 3.671 475 HD12 LEU 56 HD12 LEU 56 0.564 16.145 2.550 476 HD13 LEU 56 HD13 LEU 56 -0.429 14.725 2.217 477 HD21 LEU 56 HD21 LEU 56 -0.088 17.681 4.575 478 HD22 LEU 56 HD22 LEU 56 -0.098 16.258 5.621 479 HD23 LEU 56 HD23 LEU 56 -1.530 17.276 5.510 480 H SER 57 HN SER 57 -4.594 16.876 1.205 481 HA SER 57 HA SER 57 -4.397 19.394 -0.062 482 HB2 SER 57 HB2 SER 57 -4.439 17.132 -1.217 483 HB3 SER 57 HB1 SER 57 -6.171 17.062 -0.897 484 HG SER 57 HG SER 57 -6.238 19.155 -2.067 485 H ASP 58 HN ASP 58 -6.785 17.985 2.053 486 HA ASP 58 HA ASP 58 -9.037 19.620 1.383 487 HB2 ASP 58 HB2 ASP 58 -9.332 17.590 2.711 488 HB3 ASP 58 HB1 ASP 58 -8.251 18.188 3.963 489 H TYR 59 HN TYR 59 -6.339 19.908 3.673 490 HA TYR 59 HA TYR 59 -7.104 22.587 4.520 491 HB2 TYR 59 HB2 TYR 59 -4.898 20.652 5.279 492 HB3 TYR 59 HB1 TYR 59 -4.824 22.334 5.786 493 HD1 TYR 59 HD1 TYR 59 -7.084 23.237 6.853 494 HD2 TYR 59 HD2 TYR 59 -5.913 19.133 6.816 495 HE1 TYR 59 HE1 TYR 59 -8.486 22.838 8.810 496 HE2 TYR 59 HE2 TYR 59 -7.333 18.735 8.785 497 HH TYR 59 HH TYR 59 -8.185 20.479 10.804 498 H ASN 60 HN ASN 60 -6.070 21.741 1.670 499 HA ASN 60 HA ASN 60 -5.141 22.785 -0.088 500 HB2 ASN 60 HB2 ASN 60 -4.674 25.100 1.835 501 HB3 ASN 60 HB1 ASN 60 -4.353 25.185 0.106 502 HD21 ASN 60 HD21 ASN 60 -7.128 23.832 1.956 503 HD22 ASN 60 HD22 ASN 60 -8.322 24.775 1.137 504 H ILE 61 HN ILE 61 -3.557 21.267 2.008 505 HA ILE 61 HA ILE 61 -0.785 22.034 1.448 506 HB ILE 61 HB ILE 61 -1.797 19.548 2.903 507 HG12 ILE 61 HG12 ILE 61 -0.985 22.080 4.364 508 HG13 ILE 61 HG11 ILE 61 -2.647 21.822 3.853 509 HG21 ILE 61 HG21 ILE 61 0.577 19.451 2.263 510 HG22 ILE 61 HG22 ILE 61 0.414 19.555 4.015 511 HG23 ILE 61 HG23 ILE 61 0.882 20.982 3.088 512 HD11 ILE 61 HD11 ILE 61 -2.831 19.843 5.210 513 HD12 ILE 61 HD12 ILE 61 -2.253 21.194 6.193 514 HD13 ILE 61 HD13 ILE 61 -1.121 19.951 5.661 515 H GLN 62 HN GLN 62 -0.312 21.536 -0.659 516 HA GLN 62 HA GLN 62 -1.159 19.006 -1.885 517 HB2 GLN 62 HB2 GLN 62 -0.100 19.813 -3.927 518 HB3 GLN 62 HB1 GLN 62 -1.123 21.086 -3.274 519 HG2 GLN 62 HG2 GLN 62 0.792 22.333 -2.500 520 HG3 GLN 62 HG1 GLN 62 1.884 20.995 -2.854 521 HE21 GLN 62 HE21 GLN 62 2.432 20.566 -5.008 522 HE22 GLN 62 HE22 GLN 62 2.207 21.735 -6.263 523 H LYS 63 HN LYS 63 0.830 17.921 -3.157 524 HA LYS 63 HA LYS 63 2.669 16.846 -1.331 525 HB2 LYS 63 HB2 LYS 63 3.903 16.008 -3.297 526 HB3 LYS 63 HB1 LYS 63 2.189 15.679 -3.436 527 HG2 LYS 63 HG2 LYS 63 1.961 17.625 -4.975 528 HG3 LYS 63 HG1 LYS 63 3.712 17.874 -4.880 529 HD2 LYS 63 HD2 LYS 63 2.281 15.407 -5.946 530 HD3 LYS 63 HD1 LYS 63 3.176 16.593 -6.904 531 HE2 LYS 63 HE2 LYS 63 4.473 14.954 -4.703 532 HE3 LYS 63 HE1 LYS 63 4.383 14.416 -6.354 533 HZ1 LYS 63 HZ1 LYS 63 5.685 16.278 -7.057 534 HZ2 LYS 63 HZ2 LYS 63 6.487 15.505 -5.790 535 HZ3 LYS 63 HZ3 LYS 63 5.656 16.947 -5.506 536 H GLU 64 HN GLU 64 4.793 17.276 -0.909 537 HA GLU 64 HA GLU 64 6.652 18.421 -0.423 538 HB2 GLU 64 HB2 GLU 64 6.208 19.709 -3.139 539 HB3 GLU 64 HB1 GLU 64 7.717 19.794 -2.230 540 HG2 GLU 64 HG2 GLU 64 8.026 17.384 -2.436 541 HG3 GLU 64 HG1 GLU 64 6.452 17.208 -3.215 542 H SER 65 HN SER 65 3.791 19.826 -0.053 543 HA SER 65 HA SER 65 4.535 22.586 0.335 544 HB2 SER 65 HB2 SER 65 2.179 21.016 1.448 545 HB3 SER 65 HB1 SER 65 2.367 22.769 1.544 546 HG SER 65 HG SER 65 2.321 21.287 -0.866 547 H THR 66 HN THR 66 4.922 23.661 2.319 548 HA THR 66 HA THR 66 5.951 21.966 4.496 549 HB THR 66 HB THR 66 6.448 24.943 4.061 550 HG1 THR 66 HG1 THR 66 7.400 22.959 2.650 551 HG21 THR 66 HG21 THR 66 7.809 22.917 5.897 552 HG22 THR 66 HG22 THR 66 6.736 24.220 6.422 553 HG23 THR 66 HG23 THR 66 8.297 24.596 5.686 554 H LEU 67 HN LEU 67 4.957 21.884 6.378 555 HA LEU 67 HA LEU 67 2.976 23.914 7.205 556 HB2 LEU 67 HB2 LEU 67 1.576 22.073 8.174 557 HB3 LEU 67 HB1 LEU 67 1.600 22.087 6.424 558 HG LEU 67 HG LEU 67 3.410 20.193 7.972 559 HD11 LEU 67 HD11 LEU 67 1.101 19.811 8.789 560 HD12 LEU 67 HD12 LEU 67 1.726 18.445 7.861 561 HD13 LEU 67 HD13 LEU 67 0.569 19.555 7.121 562 HD21 LEU 67 HD21 LEU 67 3.878 20.446 5.559 563 HD22 LEU 67 HD22 LEU 67 2.215 19.991 5.181 564 HD23 LEU 67 HD23 LEU 67 3.303 18.821 5.932 565 H HIS 68 HN HIS 68 2.705 23.953 9.569 566 HA HIS 68 HA HIS 68 5.331 23.655 10.836 567 HB2 HIS 68 HB2 HIS 68 2.834 25.155 11.724 568 HB3 HIS 68 HB1 HIS 68 4.325 25.085 12.661 569 HD1 HIS 68 HD1 HIS 68 2.691 27.092 10.130 570 HD2 HIS 68 HD2 HIS 68 6.625 26.199 11.132 571 HE1 HIS 68 HE1 HIS 68 4.087 28.898 9.090 572 HE2 HIS 68 HE2 HIS 68 6.438 28.421 9.830 573 H LEU 69 HN LEU 69 5.525 22.965 13.041 574 HA LEU 69 HA LEU 69 3.675 20.891 13.983 575 HB2 LEU 69 HB2 LEU 69 5.504 19.987 12.396 576 HB3 LEU 69 HB1 LEU 69 6.667 20.403 13.628 577 HG LEU 69 HG LEU 69 6.079 17.969 13.542 578 HD11 LEU 69 HD11 LEU 69 5.873 17.574 15.911 579 HD12 LEU 69 HD12 LEU 69 5.299 19.222 16.177 580 HD13 LEU 69 HD13 LEU 69 6.949 18.937 15.623 581 HD21 LEU 69 HD21 LEU 69 3.917 17.161 14.340 582 HD22 LEU 69 HD22 LEU 69 3.720 18.158 12.900 583 HD23 LEU 69 HD23 LEU 69 3.328 18.818 14.490 584 H VAL 70 HN VAL 70 3.472 21.040 16.117 585 HA VAL 70 HA VAL 70 5.372 22.676 17.698 586 HB VAL 70 HB VAL 70 2.412 22.113 18.207 587 HG11 VAL 70 HG11 VAL 70 4.335 23.882 19.778 588 HG12 VAL 70 HG12 VAL 70 3.625 22.368 20.336 589 HG13 VAL 70 HG13 VAL 70 2.594 23.769 20.054 590 HG21 VAL 70 HG21 VAL 70 2.763 23.617 16.287 591 HG22 VAL 70 HG22 VAL 70 3.803 24.657 17.264 592 HG23 VAL 70 HG23 VAL 70 2.091 24.515 17.646 593 H LEU 71 HN LEU 71 6.644 21.520 18.934 594 HA LEU 71 HA LEU 71 6.050 18.805 19.804 595 HB2 LEU 71 HB2 LEU 71 8.489 20.595 20.157 596 HB3 LEU 71 HB1 LEU 71 8.388 18.937 20.730 597 HG LEU 71 HG LEU 71 8.243 19.789 17.810 598 HD11 LEU 71 HD11 LEU 71 10.449 18.708 17.575 599 HD12 LEU 71 HD12 LEU 71 10.493 18.413 19.315 600 HD13 LEU 71 HD13 LEU 71 10.509 20.066 18.698 601 HD21 LEU 71 HD21 LEU 71 8.333 17.379 17.300 602 HD22 LEU 71 HD22 LEU 71 6.891 17.782 18.227 603 HD23 LEU 71 HD23 LEU 71 8.259 17.000 19.024 604 H ARG 72 HN ARG 72 5.632 18.176 21.873 605 HA ARG 72 HA ARG 72 5.343 20.249 23.992 606 HB2 ARG 72 HB2 ARG 72 3.646 17.803 23.369 607 HB3 ARG 72 HB1 ARG 72 3.548 18.648 24.912 608 HG2 ARG 72 HG2 ARG 72 2.789 20.682 23.835 609 HG3 ARG 72 HG1 ARG 72 3.053 19.987 22.235 610 HD2 ARG 72 HD2 ARG 72 1.196 18.489 24.038 611 HD3 ARG 72 HD1 ARG 72 0.619 20.042 23.431 612 HE ARG 72 HE ARG 72 1.651 18.113 21.480 613 HH11 ARG 72 HH11 ARG 72 -1.160 19.718 22.835 614 HH12 ARG 72 HH12 ARG 72 -2.245 19.127 21.619 615 HH21 ARG 72 HH21 ARG 72 0.197 17.332 19.876 616 HH22 ARG 72 HH22 ARG 72 -1.476 17.781 19.953 617 H LEU 73 HN LEU 73 6.112 16.833 23.387 618 HA LEU 73 HA LEU 73 7.223 15.221 24.508 619 HB2 LEU 73 HB2 LEU 73 8.849 17.658 25.317 620 HB3 LEU 73 HB1 LEU 73 9.316 16.048 25.822 621 HG LEU 73 HG LEU 73 10.665 16.666 23.916 622 HD11 LEU 73 HD11 LEU 73 8.610 14.624 23.020 623 HD12 LEU 73 HD12 LEU 73 10.021 14.311 24.031 624 HD13 LEU 73 HD13 LEU 73 10.238 14.831 22.363 625 HD21 LEU 73 HD21 LEU 73 9.754 17.217 21.697 626 HD22 LEU 73 HD22 LEU 73 9.255 18.390 22.913 627 HD23 LEU 73 HD23 LEU 73 8.113 17.169 22.353 628 H ARG 74 HN ARG 74 4.864 16.170 25.802 629 HA ARG 74 HA ARG 74 5.073 16.510 28.599 630 HB2 ARG 74 HB2 ARG 74 2.792 15.313 26.957 631 HB3 ARG 74 HB1 ARG 74 2.655 15.738 28.657 632 HG2 ARG 74 HG2 ARG 74 3.259 17.723 26.445 633 HG3 ARG 74 HG1 ARG 74 1.650 17.401 27.096 634 HD2 ARG 74 HD2 ARG 74 2.379 18.163 29.319 635 HD3 ARG 74 HD1 ARG 74 4.010 18.461 28.704 636 HE ARG 74 HE ARG 74 1.644 20.097 28.324 637 HH11 ARG 74 HH11 ARG 74 4.869 19.426 27.154 638 HH12 ARG 74 HH12 ARG 74 5.012 20.946 26.340 639 HH21 ARG 74 HH21 ARG 74 1.870 22.120 27.256 640 HH22 ARG 74 HH22 ARG 74 3.347 22.464 26.394 641 H GLY 75 HN GLY 75 4.131 13.602 26.773 642 HA2 GLY 75 HA2 GLY 75 5.030 11.794 28.914 643 HA3 GLY 75 HA1 GLY 75 4.067 11.372 27.502 644 H GLY 76 HN GLY 76 7.002 13.320 27.289 645 HA2 GLY 76 HA2 GLY 76 9.105 12.924 26.454 646 HA3 GLY 76 HA1 GLY 76 8.846 11.211 26.755 647 H1 GLY 195 HN GLY 195 18.735 14.144 26.520 648 HA2 GLY 195 HA2 GLY 195 16.869 15.231 25.526 649 HA3 GLY 195 HA1 GLY 195 15.818 13.935 26.081 650 H SER 196 HN SER 196 18.051 16.400 27.403 651 HA SER 196 HA SER 196 16.730 16.647 29.931 652 HB2 SER 196 HB2 SER 196 18.225 18.712 30.161 653 HB3 SER 196 HB1 SER 196 19.078 17.208 29.816 654 HG SER 196 HG SER 196 18.995 19.498 28.383 655 H ARG 197 HN ARG 197 14.561 17.030 29.539 656 HA ARG 197 HA ARG 197 13.585 19.181 27.892 657 HB2 ARG 197 HB2 ARG 197 12.239 17.138 28.263 658 HB3 ARG 197 HB1 ARG 197 12.137 17.493 29.984 659 HG2 ARG 197 HG2 ARG 197 10.836 19.541 29.487 660 HG3 ARG 197 HG1 ARG 197 10.956 19.200 27.760 661 HD2 ARG 197 HD2 ARG 197 9.642 17.169 28.019 662 HD3 ARG 197 HD1 ARG 197 9.615 17.367 29.779 663 HE ARG 197 HE ARG 197 8.497 19.549 28.185 664 HH11 ARG 197 HH11 ARG 197 7.763 16.627 29.985 665 HH12 ARG 197 HH12 ARG 197 6.149 17.131 30.377 666 HH21 ARG 197 HH21 ARG 197 6.380 20.173 28.656 667 HH22 ARG 197 HH22 ARG 197 5.364 19.138 29.619 668 H GLN 198 HN GLN 198 13.444 21.246 28.438 669 HA GLN 198 HA GLN 198 13.165 22.108 31.266 670 HB2 GLN 198 HB2 GLN 198 14.582 24.071 30.756 671 HB3 GLN 198 HB1 GLN 198 15.474 22.586 30.445 672 HG2 GLN 198 HG2 GLN 198 15.132 22.837 28.037 673 HG3 GLN 198 HG1 GLN 198 14.122 24.257 28.298 674 HE21 GLN 198 HE21 GLN 198 15.875 25.389 30.368 675 HE22 GLN 198 HE22 GLN 198 17.266 25.984 29.544 676 H VAL 199 HN VAL 199 12.295 24.491 31.281 677 HA VAL 199 HA VAL 199 9.952 24.746 29.655 678 HB VAL 199 HB VAL 199 9.923 25.650 31.910 679 HG11 VAL 199 HG11 VAL 199 12.073 27.642 31.099 680 HG12 VAL 199 HG12 VAL 199 12.273 26.284 32.206 681 HG13 VAL 199 HG13 VAL 199 11.208 27.620 32.639 682 HG21 VAL 199 HG21 VAL 199 8.433 26.730 30.274 683 HG22 VAL 199 HG22 VAL 199 9.680 27.914 29.880 684 HG23 VAL 199 HG23 VAL 199 8.956 27.893 31.490 685 H THR 200 HN THR 200 10.722 24.596 27.573 686 HA THR 200 HA THR 200 12.731 26.349 26.449 687 HB THR 200 HB THR 200 10.819 24.398 25.074 688 HG1 THR 200 HG1 THR 200 12.256 23.465 26.669 689 HG21 THR 200 HG21 THR 200 11.814 25.977 23.457 690 HG22 THR 200 HG22 THR 200 12.513 24.371 23.249 691 HG23 THR 200 HG23 THR 200 13.428 25.628 24.082 692 H LYS 201 HN LYS 201 12.356 28.231 25.279 693 HA LYS 201 HA LYS 201 9.580 29.162 24.959 694 HB2 LYS 201 HB2 LYS 201 12.232 30.607 25.104 695 HB3 LYS 201 HB1 LYS 201 10.872 31.388 24.311 696 HG2 LYS 201 HG2 LYS 201 10.986 32.181 26.575 697 HG3 LYS 201 HG1 LYS 201 9.554 31.173 26.416 698 HD2 LYS 201 HD2 LYS 201 10.449 30.543 28.510 699 HD3 LYS 201 HD1 LYS 201 10.995 29.264 27.431 700 HE2 LYS 201 HE2 LYS 201 12.716 31.639 28.255 701 HE3 LYS 201 HE1 LYS 201 12.742 30.076 29.064 702 HZ1 LYS 201 HZ1 LYS 201 14.535 30.336 27.474 703 HZ2 LYS 201 HZ2 LYS 201 13.432 30.540 26.217 704 HZ3 LYS 201 HZ3 LYS 201 13.514 29.063 27.036 705 H VAL 202 HN VAL 202 8.666 29.108 23.089 706 HA VAL 202 HA VAL 202 10.138 28.918 20.544 707 HB VAL 202 HB VAL 202 8.393 27.158 19.828 708 HG11 VAL 202 HG11 VAL 202 10.340 26.294 22.007 709 HG12 VAL 202 HG12 VAL 202 10.713 26.477 20.291 710 HG13 VAL 202 HG13 VAL 202 9.583 25.232 20.817 711 HG21 VAL 202 HG21 VAL 202 7.921 26.919 22.832 712 HG22 VAL 202 HG22 VAL 202 7.269 25.842 21.593 713 HG23 VAL 202 HG23 VAL 202 6.761 27.528 21.650 714 H ASP 203 HN ASP 203 8.163 28.883 18.761 715 HA ASP 203 HA ASP 203 6.691 31.401 19.291 716 HB2 ASP 203 HB2 ASP 203 7.793 30.289 16.678 717 HB3 ASP 203 HB1 ASP 203 6.793 31.734 16.792 718 H CYS 204 HN CYS 204 4.587 31.623 18.600 719 HA CYS 204 HA CYS 204 2.991 29.187 18.397 720 HB2 CYS 204 HB2 CYS 204 2.345 30.906 20.044 721 HB3 CYS 204 HB1 CYS 204 2.214 32.100 18.773 722 HA PRO 205 HA PRO 205 3.620 29.911 13.942 723 HB2 PRO 205 HB2 PRO 205 2.313 27.677 12.961 724 HB3 PRO 205 HB1 PRO 205 3.927 27.631 13.686 725 HG2 PRO 205 HG2 PRO 205 1.258 27.057 14.986 726 HG3 PRO 205 HG1 PRO 205 2.754 26.093 15.039 727 HD2 PRO 205 HD2 PRO 205 2.110 27.703 17.080 728 HD3 PRO 205 HD1 PRO 205 3.799 27.571 16.543 729 H VAL 206 HN VAL 206 0.557 29.991 15.451 730 HA VAL 206 HA VAL 206 -0.999 30.564 13.067 731 HB VAL 206 HB VAL 206 -1.823 30.897 15.987 732 HG11 VAL 206 HG11 VAL 206 -3.256 32.143 14.438 733 HG12 VAL 206 HG12 VAL 206 -4.142 30.778 15.111 734 HG13 VAL 206 HG13 VAL 206 -3.516 30.694 13.463 735 HG21 VAL 206 HG21 VAL 206 -2.214 28.459 14.189 736 HG22 VAL 206 HG22 VAL 206 -2.887 28.656 15.810 737 HG23 VAL 206 HG23 VAL 206 -1.140 28.559 15.587 738 H CYS 207 HN CYS 207 -0.159 32.447 16.040 739 HA CYS 207 HA CYS 207 -0.863 34.954 14.635 740 HB2 CYS 207 HB2 CYS 207 -1.183 35.967 16.813 741 HB3 CYS 207 HB1 CYS 207 -2.060 34.441 16.773 742 H GLY 208 HN GLY 208 1.863 33.208 15.534 743 HA2 GLY 208 HA2 GLY 208 4.088 33.598 15.218 744 HA3 GLY 208 HA1 GLY 208 3.655 35.124 14.468 745 H VAL 209 HN VAL 209 3.400 33.846 17.822 746 HA VAL 209 HA VAL 209 4.888 36.232 18.792 747 HB VAL 209 HB VAL 209 3.585 36.213 20.865 748 HG11 VAL 209 HG11 VAL 209 1.389 36.943 19.997 749 HG12 VAL 209 HG12 VAL 209 1.760 36.216 18.432 750 HG13 VAL 209 HG13 VAL 209 2.717 37.577 19.024 751 HG21 VAL 209 HG21 VAL 209 3.087 33.816 21.087 752 HG22 VAL 209 HG22 VAL 209 1.998 33.885 19.701 753 HG23 VAL 209 HG23 VAL 209 1.598 34.757 21.182 754 H ASN 210 HN ASN 210 6.475 35.914 20.336 755 HA ASN 210 HA ASN 210 7.436 33.171 20.731 756 HB2 ASN 210 HB2 ASN 210 9.058 34.835 19.927 757 HB3 ASN 210 HB1 ASN 210 8.754 35.856 21.330 758 HD21 ASN 210 HD21 ASN 210 9.147 32.306 21.350 759 HD22 ASN 210 HD22 ASN 210 10.613 32.311 22.262 760 H ILE 211 HN ILE 211 7.201 32.130 22.564 761 HA ILE 211 HA ILE 211 6.519 33.306 25.143 762 HB ILE 211 HB ILE 211 4.366 31.817 25.183 763 HG12 ILE 211 HG12 ILE 211 4.894 31.880 22.173 764 HG13 ILE 211 HG11 ILE 211 4.755 30.456 23.196 765 HG21 ILE 211 HG21 ILE 211 2.907 33.552 24.231 766 HG22 ILE 211 HG22 ILE 211 4.282 34.272 23.393 767 HG23 ILE 211 HG23 ILE 211 4.222 34.283 25.156 768 HD11 ILE 211 HD11 ILE 211 2.544 32.348 22.433 769 HD12 ILE 211 HD12 ILE 211 2.369 30.959 23.508 770 HD13 ILE 211 HD13 ILE 211 2.812 30.719 21.817 771 HA PRO 212 HA PRO 212 8.260 29.271 26.499 772 HB2 PRO 212 HB2 PRO 212 6.742 28.730 28.764 773 HB3 PRO 212 HB1 PRO 212 8.118 29.840 28.732 774 HG2 PRO 212 HG2 PRO 212 5.180 30.463 28.557 775 HG3 PRO 212 HG1 PRO 212 6.451 31.291 29.483 776 HD2 PRO 212 HD2 PRO 212 5.524 32.276 27.134 777 HD3 PRO 212 HD1 PRO 212 7.227 32.459 27.604 778 H GLU 213 HN GLU 213 7.631 26.996 26.730 779 HA GLU 213 HA GLU 213 5.955 26.343 24.538 780 HB2 GLU 213 HB2 GLU 213 8.177 25.291 25.114 781 HB3 GLU 213 HB1 GLU 213 7.391 24.446 26.435 782 HG2 GLU 213 HG2 GLU 213 6.342 24.087 23.627 783 HG3 GLU 213 HG1 GLU 213 7.824 23.262 24.103 784 H SER 214 HN SER 214 5.506 26.098 28.030 785 HA SER 214 HA SER 214 3.089 24.640 28.111 786 HB2 SER 214 HB2 SER 214 2.711 25.947 30.264 787 HB3 SER 214 HB1 SER 214 4.297 25.179 30.156 788 HG SER 214 HG SER 214 4.078 27.542 30.798 789 H HIS 215 HN HIS 215 3.752 28.093 27.657 790 HA HIS 215 HA HIS 215 0.991 28.865 27.327 791 HB2 HIS 215 HB2 HIS 215 3.604 30.384 26.969 792 HB3 HIS 215 HB1 HIS 215 2.039 31.111 26.619 793 HD1 HIS 215 HD1 HIS 215 1.326 32.546 28.469 794 HD2 HIS 215 HD2 HIS 215 3.430 29.249 29.863 795 HE1 HIS 215 HE1 HIS 215 1.422 32.806 30.958 796 HE2 HIS 215 HE2 HIS 215 2.789 30.858 31.766 797 H ILE 216 HN ILE 216 3.402 27.578 25.169 798 HA ILE 216 HA ILE 216 2.384 28.837 22.803 799 HB ILE 216 HB ILE 216 4.784 27.734 23.074 800 HG12 ILE 216 HG12 ILE 216 3.850 28.900 20.998 801 HG13 ILE 216 HG11 ILE 216 5.099 27.705 20.686 802 HG21 ILE 216 HG21 ILE 216 5.061 25.501 22.063 803 HG22 ILE 216 HG22 ILE 216 3.309 25.314 21.968 804 HG23 ILE 216 HG23 ILE 216 4.101 25.418 23.534 805 HD11 ILE 216 HD11 ILE 216 2.131 27.339 20.264 806 HD12 ILE 216 HD12 ILE 216 3.354 26.092 20.005 807 HD13 ILE 216 HD13 ILE 216 3.370 27.557 19.029 808 H ASN 217 HN ASN 217 1.978 25.591 24.279 809 HA ASN 217 HA ASN 217 0.149 24.671 22.299 810 HB2 ASN 217 HB2 ASN 217 1.465 23.132 23.745 811 HB3 ASN 217 HB1 ASN 217 0.517 23.637 25.142 812 HD21 ASN 217 HD21 ASN 217 -1.495 22.701 25.454 813 HD22 ASN 217 HD22 ASN 217 -2.181 21.508 24.409 814 H LYS 218 HN LYS 218 -0.244 26.266 25.434 815 HA LYS 218 HA LYS 218 -3.056 26.307 25.608 816 HB2 LYS 218 HB2 LYS 218 -1.541 26.962 27.461 817 HB3 LYS 218 HB1 LYS 218 -1.045 28.393 26.572 818 HG2 LYS 218 HG2 LYS 218 -2.589 29.060 28.290 819 HG3 LYS 218 HG1 LYS 218 -3.388 29.268 26.736 820 HD2 LYS 218 HD2 LYS 218 -3.849 26.701 28.267 821 HD3 LYS 218 HD1 LYS 218 -4.648 28.165 28.827 822 HE2 LYS 218 HE2 LYS 218 -5.826 28.408 26.732 823 HE3 LYS 218 HE1 LYS 218 -4.909 27.092 25.997 824 HZ1 LYS 218 HZ1 LYS 218 -5.930 25.554 27.530 825 HZ2 LYS 218 HZ2 LYS 218 -7.121 26.399 26.681 826 HZ3 LYS 218 HZ3 LYS 218 -6.778 26.808 28.284 827 H HIS 219 HN HIS 219 -0.793 28.556 24.042 828 HA HIS 219 HA HIS 219 -2.631 30.497 23.192 829 HB2 HIS 219 HB2 HIS 219 0.197 30.060 22.830 830 HB3 HIS 219 HB1 HIS 219 -0.471 30.310 21.226 831 HD2 HIS 219 HD2 HIS 219 -0.406 32.200 24.682 832 HE1 HIS 219 HE1 HIS 219 -0.858 34.998 21.550 833 HE2 HIS 219 HE2 HIS 219 -0.745 34.683 24.053 834 H LEU 220 HN LEU 220 -1.561 27.469 21.754 835 HA LEU 220 HA LEU 220 -2.764 27.808 19.218 836 HB2 LEU 220 HB2 LEU 220 -2.135 25.223 20.657 837 HB3 LEU 220 HB1 LEU 220 -2.475 25.385 18.934 838 HG LEU 220 HG LEU 220 -0.090 26.522 20.406 839 HD11 LEU 220 HD11 LEU 220 1.236 24.918 19.183 840 HD12 LEU 220 HD12 LEU 220 -0.216 24.251 18.436 841 HD13 LEU 220 HD13 LEU 220 0.028 24.114 20.180 842 HD21 LEU 220 HD21 LEU 220 -0.736 26.715 17.453 843 HD22 LEU 220 HD22 LEU 220 0.780 27.198 18.212 844 HD23 LEU 220 HD23 LEU 220 -0.707 28.045 18.613 845 H ASP 221 HN ASP 221 -3.925 26.384 22.271 846 HA ASP 221 HA ASP 221 -6.288 25.198 21.394 847 HB2 ASP 221 HB2 ASP 221 -5.806 26.590 24.062 848 HB3 ASP 221 HB1 ASP 221 -7.113 25.468 23.722 849 H SER 222 HN SER 222 -5.611 28.561 22.268 850 HA SER 222 HA SER 222 -8.359 29.415 21.706 851 HB2 SER 222 HB2 SER 222 -7.024 30.376 23.588 852 HB3 SER 222 HB1 SER 222 -5.910 31.077 22.415 853 HG SER 222 HG SER 222 -8.693 31.647 22.654 854 H CYS 223 HN CYS 223 -5.253 29.368 20.047 855 HA CYS 223 HA CYS 223 -5.947 31.395 18.107 856 HB2 CYS 223 HB2 CYS 223 -3.444 29.779 18.576 857 HB3 CYS 223 HB1 CYS 223 -3.633 30.780 17.143 858 H LEU 224 HN LEU 224 -6.320 27.963 18.273 859 HA LEU 224 HA LEU 224 -6.127 27.449 15.428 860 HB2 LEU 224 HB2 LEU 224 -6.823 25.147 15.949 861 HB3 LEU 224 HB1 LEU 224 -5.521 25.681 16.985 862 HG LEU 224 HG LEU 224 -7.408 26.149 18.761 863 HD11 LEU 224 HD11 LEU 224 -9.374 25.813 17.347 864 HD12 LEU 224 HD12 LEU 224 -9.351 24.660 18.676 865 HD13 LEU 224 HD13 LEU 224 -8.898 24.139 17.051 866 HD21 LEU 224 HD21 LEU 224 -7.228 23.850 19.623 867 HD22 LEU 224 HD22 LEU 224 -5.681 24.469 19.056 868 HD23 LEU 224 HD23 LEU 224 -6.583 23.320 18.068 869 H SER 225 HN SER 225 -8.424 28.904 17.353 870 HA SER 225 HA SER 225 -10.898 28.027 16.375 871 HB2 SER 225 HB2 SER 225 -10.159 30.771 17.469 872 HB3 SER 225 HB1 SER 225 -11.778 30.071 17.426 873 HG SER 225 HG SER 225 -10.109 29.908 19.382 874 H ARG 226 HN ARG 226 -8.530 29.510 14.573 875 HA ARG 226 HA ARG 226 -9.827 31.135 12.740 876 HB2 ARG 226 HB2 ARG 226 -7.350 30.656 12.842 877 HB3 ARG 226 HB1 ARG 226 -7.657 29.071 12.143 878 HG2 ARG 226 HG2 ARG 226 -6.856 30.613 10.426 879 HG3 ARG 226 HG1 ARG 226 -8.525 30.147 10.082 880 HD2 ARG 226 HD2 ARG 226 -8.121 32.573 9.712 881 HD3 ARG 226 HD1 ARG 226 -9.342 32.282 10.952 882 HE ARG 226 HE ARG 226 -7.809 32.959 12.629 883 HH11 ARG 226 HH11 ARG 226 -6.467 33.416 9.408 884 HH12 ARG 226 HH12 ARG 226 -5.236 34.510 9.955 885 HH21 ARG 226 HH21 ARG 226 -6.177 34.382 13.310 886 HH22 ARG 226 HH22 ARG 226 -5.069 35.048 12.152 887 H GLU 227 HN GLU 227 -11.828 30.561 12.073 888 HA GLU 227 HA GLU 227 -12.278 27.978 10.695 889 HB2 GLU 227 HB2 GLU 227 -13.140 28.074 13.132 890 HB3 GLU 227 HB1 GLU 227 -14.286 29.289 12.602 891 HG2 GLU 227 HG2 GLU 227 -14.177 26.494 11.421 892 HG3 GLU 227 HG1 GLU 227 -15.138 26.899 12.835 Start of MODEL 4 1 H1 GLY -2 HT1 GLY -2 -0.977 2.741 -4.113 2 H2 GLY -2 HT2 GLY -2 -1.044 3.908 -2.888 3 H3 GLY -2 HT3 GLY -2 -2.175 2.653 -2.925 4 HA2 GLY -2 HA1 GLY -2 -0.486 2.288 -1.230 5 HA3 GLY -2 HA2 GLY -2 -0.514 1.026 -2.452 6 H SER -1 HN SER -1 0.853 4.302 -2.662 7 HA SER -1 HA SER -1 3.353 3.171 -3.705 8 HB2 SER -1 HB2 SER -1 2.149 4.889 -5.037 9 HB3 SER -1 HB1 SER -1 2.350 6.050 -3.724 10 HG SER -1 HG SER -1 4.120 5.241 -5.648 11 H HIS 0 HN HIS 0 2.231 5.409 -1.157 12 HA HIS 0 HA HIS 0 3.154 6.370 0.647 13 HB2 HIS 0 HB2 HIS 0 4.990 4.017 0.389 14 HB3 HIS 0 HB1 HIS 0 5.596 5.354 1.356 15 HD1 HIS 0 HD1 HIS 0 2.152 3.673 1.222 16 HD2 HIS 0 HD2 HIS 0 5.122 4.738 3.930 17 HE1 HIS 0 HE1 HIS 0 1.270 3.040 3.487 18 HE2 HIS 0 HE2 HIS 0 3.089 3.679 5.103 19 H MET 1 HN MET 1 4.219 8.239 0.974 20 HA MET 1 HA MET 1 6.346 9.133 -0.881 21 HB2 MET 1 HB2 MET 1 3.865 10.737 -0.084 22 HB3 MET 1 HB1 MET 1 5.197 11.339 -1.070 23 HG2 MET 1 HG2 MET 1 3.320 9.095 -1.813 24 HG3 MET 1 HG1 MET 1 3.251 10.750 -2.436 25 HE1 MET 1 HE1 MET 1 3.365 8.104 -4.284 26 HE2 MET 1 HE2 MET 1 4.535 8.582 -5.513 27 HE3 MET 1 HE3 MET 1 3.303 9.724 -4.980 28 H GLN 2 HN GLN 2 6.947 11.547 0.042 29 HA GLN 2 HA GLN 2 7.405 11.313 2.957 30 HB2 GLN 2 HB2 GLN 2 9.056 12.718 0.814 31 HB3 GLN 2 HB1 GLN 2 9.324 12.930 2.539 32 HG2 GLN 2 HG2 GLN 2 10.887 11.330 2.109 33 HG3 GLN 2 HG1 GLN 2 9.539 10.293 2.524 34 HE21 GLN 2 HE21 GLN 2 11.884 9.693 0.977 35 HE22 GLN 2 HE22 GLN 2 11.349 9.175 -0.573 36 H ILE 3 HN ILE 3 7.150 13.178 4.243 37 HA ILE 3 HA ILE 3 6.413 15.748 3.013 38 HB ILE 3 HB ILE 3 4.734 16.265 4.841 39 HG12 ILE 3 HG12 ILE 3 5.402 14.311 6.357 40 HG13 ILE 3 HG11 ILE 3 3.675 14.566 6.173 41 HG21 ILE 3 HG21 ILE 3 2.806 15.193 3.749 42 HG22 ILE 3 HG22 ILE 3 3.898 14.110 2.884 43 HG23 ILE 3 HG23 ILE 3 3.959 15.848 2.583 44 HD11 ILE 3 HD11 ILE 3 4.247 12.212 6.152 45 HD12 ILE 3 HD12 ILE 3 5.293 12.456 4.755 46 HD13 ILE 3 HD13 ILE 3 3.550 12.703 4.611 47 H PHE 4 HN PHE 4 6.733 17.581 4.510 48 HA PHE 4 HA PHE 4 8.994 17.032 6.369 49 HB2 PHE 4 HB2 PHE 4 8.513 19.533 4.677 50 HB3 PHE 4 HB1 PHE 4 9.887 19.255 5.745 51 HD1 PHE 4 HD2 PHE 4 11.021 16.773 5.223 52 HD2 PHE 4 HD1 PHE 4 9.045 19.310 2.403 53 HE1 PHE 4 HE2 PHE 4 12.249 15.699 3.386 54 HE2 PHE 4 HE1 PHE 4 10.278 18.225 0.572 55 HZ PHE 4 HZ PHE 4 11.881 16.422 1.060 56 H VAL 5 HN VAL 5 8.046 17.002 8.310 57 HA VAL 5 HA VAL 5 6.233 19.172 9.178 58 HB VAL 5 HB VAL 5 6.876 16.447 10.440 59 HG11 VAL 5 HG11 VAL 5 4.900 18.584 11.354 60 HG12 VAL 5 HG12 VAL 5 6.386 18.105 12.177 61 HG13 VAL 5 HG13 VAL 5 5.050 16.964 12.044 62 HG21 VAL 5 HG21 VAL 5 5.463 16.292 8.403 63 HG22 VAL 5 HG22 VAL 5 4.308 17.428 9.098 64 HG23 VAL 5 HG23 VAL 5 4.549 15.848 9.844 65 H LYS 6 HN LYS 6 7.450 20.830 9.936 66 HA LYS 6 HA LYS 6 10.083 20.345 11.170 67 HB2 LYS 6 HB2 LYS 6 9.780 21.808 9.085 68 HB3 LYS 6 HB1 LYS 6 8.943 22.965 10.122 69 HG2 LYS 6 HG2 LYS 6 10.934 23.339 11.435 70 HG3 LYS 6 HG1 LYS 6 11.782 22.020 10.616 71 HD2 LYS 6 HD2 LYS 6 11.547 23.321 8.457 72 HD3 LYS 6 HD1 LYS 6 10.912 24.672 9.405 73 HE2 LYS 6 HE2 LYS 6 13.021 24.732 10.696 74 HE3 LYS 6 HE1 LYS 6 13.639 23.388 9.729 75 HZ1 LYS 6 HZ1 LYS 6 14.487 25.460 8.899 76 HZ2 LYS 6 HZ2 LYS 6 12.931 26.094 8.725 77 HZ3 LYS 6 HZ3 LYS 6 13.430 24.804 7.757 78 H THR 7 HN THR 7 10.381 20.733 13.313 79 HA THR 7 HA THR 7 8.241 21.489 15.018 80 HB THR 7 HB THR 7 9.975 21.419 16.865 81 HG1 THR 7 HG1 THR 7 12.074 20.666 16.205 82 HG21 THR 7 HG21 THR 7 10.449 19.009 16.722 83 HG22 THR 7 HG22 THR 7 9.983 19.013 15.024 84 HG23 THR 7 HG23 THR 7 8.781 19.357 16.263 85 H LEU 8 HN LEU 8 8.386 23.138 16.694 86 HA LEU 8 HA LEU 8 8.964 25.780 15.839 87 HB2 LEU 8 HB2 LEU 8 8.590 24.745 18.669 88 HB3 LEU 8 HB1 LEU 8 8.427 26.415 18.147 89 HG LEU 8 HG LEU 8 6.593 24.114 17.404 90 HD11 LEU 8 HD11 LEU 8 6.328 24.828 19.719 91 HD12 LEU 8 HD12 LEU 8 4.921 25.282 18.762 92 HD13 LEU 8 HD13 LEU 8 6.117 26.504 19.202 93 HD21 LEU 8 HD21 LEU 8 5.168 25.781 16.302 94 HD22 LEU 8 HD22 LEU 8 6.749 25.691 15.531 95 HD23 LEU 8 HD23 LEU 8 6.373 27.033 16.618 96 H THR 9 HN THR 9 10.866 23.321 17.429 97 HA THR 9 HA THR 9 12.969 25.063 18.377 98 HB THR 9 HB THR 9 14.210 22.919 18.824 99 HG1 THR 9 HG1 THR 9 13.255 20.967 18.338 100 HG21 THR 9 HG21 THR 9 12.675 23.803 20.556 101 HG22 THR 9 HG22 THR 9 12.698 22.041 20.566 102 HG23 THR 9 HG23 THR 9 11.339 22.898 19.838 103 H GLY 10 HN GLY 10 12.132 23.543 15.377 104 HA2 GLY 10 HA2 GLY 10 12.874 24.671 13.416 105 HA3 GLY 10 HA1 GLY 10 14.445 24.927 14.152 106 H LYS 11 HN LYS 11 13.422 21.736 14.702 107 HA LYS 11 HA LYS 11 15.276 20.712 12.684 108 HB2 LYS 11 HB2 LYS 11 15.320 18.691 13.869 109 HB3 LYS 11 HB1 LYS 11 14.983 19.823 15.171 110 HG2 LYS 11 HG2 LYS 11 12.593 19.256 15.063 111 HG3 LYS 11 HG1 LYS 11 12.914 18.174 13.702 112 HD2 LYS 11 HD2 LYS 11 14.234 17.747 16.407 113 HD3 LYS 11 HD1 LYS 11 12.598 17.167 16.095 114 HE2 LYS 11 HE2 LYS 11 14.191 15.368 15.731 115 HE3 LYS 11 HE1 LYS 11 13.448 15.818 14.198 116 HZ1 LYS 11 HZ1 LYS 11 15.433 17.003 13.597 117 HZ2 LYS 11 HZ2 LYS 11 15.847 15.428 14.043 118 HZ3 LYS 11 HZ3 LYS 11 16.132 16.707 15.109 119 H THR 12 HN THR 12 14.623 19.215 11.030 120 HA THR 12 HA THR 12 11.767 19.379 10.246 121 HB THR 12 HB THR 12 14.208 18.749 8.560 122 HG1 THR 12 HG1 THR 12 13.475 20.898 7.633 123 HG21 THR 12 HG21 THR 12 11.302 19.176 7.707 124 HG22 THR 12 HG22 THR 12 12.193 17.656 7.614 125 HG23 THR 12 HG23 THR 12 12.668 19.016 6.600 126 H ILE 13 HN ILE 13 10.608 17.607 10.382 127 HA ILE 13 HA ILE 13 11.864 14.940 10.635 128 HB ILE 13 HB ILE 13 9.056 15.760 11.489 129 HG12 ILE 13 HG12 ILE 13 10.173 15.180 13.849 130 HG13 ILE 13 HG11 ILE 13 11.665 15.585 13.019 131 HG21 ILE 13 HG21 ILE 13 10.559 13.163 11.962 132 HG22 ILE 13 HG22 ILE 13 9.206 13.397 10.859 133 HG23 ILE 13 HG23 ILE 13 8.959 13.564 12.595 134 HD11 ILE 13 HD11 ILE 13 10.813 17.811 12.552 135 HD12 ILE 13 HD12 ILE 13 10.782 17.452 14.277 136 HD13 ILE 13 HD13 ILE 13 9.288 17.402 13.345 137 H THR 14 HN THR 14 11.923 13.960 8.702 138 HA THR 14 HA THR 14 9.823 14.332 6.693 139 HB THR 14 HB THR 14 12.405 12.700 6.589 140 HG1 THR 14 HG1 THR 14 11.801 15.373 6.150 141 HG21 THR 14 HG21 THR 14 12.053 12.670 4.134 142 HG22 THR 14 HG22 THR 14 10.510 13.498 4.340 143 HG23 THR 14 HG23 THR 14 10.724 11.864 4.970 144 H LEU 15 HN LEU 15 8.089 12.981 6.652 145 HA LEU 15 HA LEU 15 8.236 10.354 8.032 146 HB2 LEU 15 HB2 LEU 15 5.708 11.880 7.292 147 HB3 LEU 15 HB1 LEU 15 5.801 10.416 8.234 148 HG LEU 15 HG LEU 15 5.395 12.093 9.822 149 HD11 LEU 15 HD11 LEU 15 7.332 12.177 11.240 150 HD12 LEU 15 HD12 LEU 15 8.394 11.768 9.890 151 HD13 LEU 15 HD13 LEU 15 7.225 10.594 10.482 152 HD21 LEU 15 HD21 LEU 15 5.786 14.044 8.403 153 HD22 LEU 15 HD22 LEU 15 7.532 13.813 8.533 154 HD23 LEU 15 HD23 LEU 15 6.584 14.228 9.964 155 H GLU 16 HN GLU 16 7.177 8.582 7.080 156 HA GLU 16 HA GLU 16 7.315 8.588 4.119 157 HB2 GLU 16 HB2 GLU 16 7.780 6.203 5.968 158 HB3 GLU 16 HB1 GLU 16 8.139 6.312 4.250 159 HG2 GLU 16 HG2 GLU 16 9.556 7.773 6.489 160 HG3 GLU 16 HG1 GLU 16 10.182 6.402 5.577 161 H VAL 17 HN VAL 17 5.054 9.230 4.094 162 HA VAL 17 HA VAL 17 3.159 7.010 4.373 163 HB VAL 17 HB VAL 17 1.511 8.105 5.681 164 HG11 VAL 17 HG11 VAL 17 4.103 8.812 7.081 165 HG12 VAL 17 HG12 VAL 17 3.275 7.255 7.135 166 HG13 VAL 17 HG13 VAL 17 2.516 8.681 7.843 167 HG21 VAL 17 HG21 VAL 17 1.582 10.464 6.438 168 HG22 VAL 17 HG22 VAL 17 1.534 10.323 4.683 169 HG23 VAL 17 HG23 VAL 17 3.049 10.709 5.495 170 H GLU 18 HN GLU 18 0.943 7.817 3.461 171 HA GLU 18 HA GLU 18 1.504 9.145 0.892 172 HB2 GLU 18 HB2 GLU 18 -1.141 7.859 1.662 173 HB3 GLU 18 HB1 GLU 18 -0.430 8.059 0.062 174 HG2 GLU 18 HG2 GLU 18 1.398 6.425 0.875 175 HG3 GLU 18 HG1 GLU 18 0.306 6.084 2.212 176 HA PRO 19 HA PRO 19 -0.860 12.914 1.956 177 HB2 PRO 19 HB2 PRO 19 -2.362 13.210 -0.401 178 HB3 PRO 19 HB1 PRO 19 -0.724 13.823 -0.153 179 HG2 PRO 19 HG2 PRO 19 -1.609 11.273 -1.488 180 HG3 PRO 19 HG1 PRO 19 -0.341 12.418 -1.981 181 HD2 PRO 19 HD2 PRO 19 0.302 10.109 -0.780 182 HD3 PRO 19 HD1 PRO 19 1.187 11.601 -0.388 183 H SER 20 HN SER 20 -2.517 10.042 0.647 184 HA SER 20 HA SER 20 -5.030 10.794 2.037 185 HB2 SER 20 HB2 SER 20 -5.175 10.275 -0.409 186 HB3 SER 20 HB1 SER 20 -4.568 8.654 -0.089 187 HG SER 20 HG SER 20 -6.442 8.293 1.188 188 H ASP 21 HN ASP 21 -2.459 9.589 3.224 189 HA ASP 21 HA ASP 21 -3.151 6.936 4.094 190 HB2 ASP 21 HB2 ASP 21 -0.783 8.049 3.915 191 HB3 ASP 21 HB1 ASP 21 -1.124 8.731 5.490 192 H THR 22 HN THR 22 -2.354 9.397 6.534 193 HA THR 22 HA THR 22 -4.772 10.467 7.217 194 HB THR 22 HB THR 22 -5.664 8.306 7.962 195 HG1 THR 22 HG1 THR 22 -6.355 8.975 9.942 196 HG21 THR 22 HG21 THR 22 -4.696 7.007 9.799 197 HG22 THR 22 HG22 THR 22 -3.335 8.122 9.896 198 HG23 THR 22 HG23 THR 22 -3.550 7.121 8.458 199 H ILE 23 HN ILE 23 -4.610 11.864 9.025 200 HA ILE 23 HA ILE 23 -2.049 12.974 9.477 201 HB ILE 23 HB ILE 23 -4.712 13.466 10.889 202 HG12 ILE 23 HG12 ILE 23 -4.751 14.103 8.498 203 HG13 ILE 23 HG11 ILE 23 -4.865 15.528 9.516 204 HG21 ILE 23 HG21 ILE 23 -2.186 15.131 11.145 205 HG22 ILE 23 HG22 ILE 23 -2.940 14.162 12.409 206 HG23 ILE 23 HG23 ILE 23 -3.775 15.578 11.777 207 HD11 ILE 23 HD11 ILE 23 -3.433 15.925 7.609 208 HD12 ILE 23 HD12 ILE 23 -2.399 14.572 8.065 209 HD13 ILE 23 HD13 ILE 23 -2.492 16.002 9.099 210 H GLU 24 HN GLU 24 -4.164 10.880 11.400 211 HA GLU 24 HA GLU 24 -2.772 10.876 13.845 212 HB2 GLU 24 HB2 GLU 24 -5.088 9.972 13.412 213 HB3 GLU 24 HB1 GLU 24 -4.359 8.571 12.643 214 HG2 GLU 24 HG2 GLU 24 -3.376 7.839 14.721 215 HG3 GLU 24 HG1 GLU 24 -3.821 9.344 15.528 216 H ASN 25 HN ASN 25 -2.216 9.080 10.875 217 HA ASN 25 HA ASN 25 -0.263 7.254 11.939 218 HB2 ASN 25 HB2 ASN 25 -1.631 6.907 9.829 219 HB3 ASN 25 HB1 ASN 25 -0.619 8.083 9.028 220 HD21 ASN 25 HD21 ASN 25 -0.652 4.927 10.549 221 HD22 ASN 25 HD22 ASN 25 0.787 4.338 9.801 222 H VAL 26 HN VAL 26 -0.194 10.319 10.175 223 HA VAL 26 HA VAL 26 2.547 10.523 9.609 224 HB VAL 26 HB VAL 26 0.654 12.858 10.230 225 HG11 VAL 26 HG11 VAL 26 2.169 14.246 8.834 226 HG12 VAL 26 HG12 VAL 26 3.264 12.874 8.654 227 HG13 VAL 26 HG13 VAL 26 3.006 13.594 10.244 228 HG21 VAL 26 HG21 VAL 26 1.267 11.574 7.546 229 HG22 VAL 26 HG22 VAL 26 0.258 12.997 7.801 230 HG23 VAL 26 HG23 VAL 26 -0.247 11.435 8.438 231 H LYS 27 HN LYS 27 0.698 11.649 12.422 232 HA LYS 27 HA LYS 27 2.950 12.758 13.807 233 HB2 LYS 27 HB2 LYS 27 1.393 13.143 15.642 234 HB3 LYS 27 HB1 LYS 27 0.721 13.674 14.108 235 HG2 LYS 27 HG2 LYS 27 -0.694 11.657 14.028 236 HG3 LYS 27 HG1 LYS 27 -0.010 11.120 15.566 237 HD2 LYS 27 HD2 LYS 27 -2.164 12.174 15.975 238 HD3 LYS 27 HD1 LYS 27 -0.885 13.177 16.659 239 HE2 LYS 27 HE2 LYS 27 -1.003 14.574 14.532 240 HE3 LYS 27 HE1 LYS 27 -2.446 13.655 14.107 241 HZ1 LYS 27 HZ1 LYS 27 -3.030 15.723 15.189 242 HZ2 LYS 27 HZ2 LYS 27 -2.115 15.313 16.550 243 HZ3 LYS 27 HZ3 LYS 27 -3.492 14.410 16.156 244 H ALA 28 HN ALA 28 1.365 9.607 13.814 245 HA ALA 28 HA ALA 28 2.749 8.476 16.030 246 HB1 ALA 28 HB1 ALA 28 2.181 6.300 15.011 247 HB2 ALA 28 HB2 ALA 28 1.717 7.115 13.513 248 HB3 ALA 28 HB3 ALA 28 0.795 7.392 14.992 249 H LYS 29 HN LYS 29 3.595 8.935 12.612 250 HA LYS 29 HA LYS 29 6.109 7.611 12.733 251 HB2 LYS 29 HB2 LYS 29 5.190 9.733 10.758 252 HB3 LYS 29 HB1 LYS 29 6.584 8.677 10.560 253 HG2 LYS 29 HG2 LYS 29 3.670 7.887 10.573 254 HG3 LYS 29 HG1 LYS 29 4.776 7.875 9.199 255 HD2 LYS 29 HD2 LYS 29 6.073 6.066 10.228 256 HD3 LYS 29 HD1 LYS 29 5.052 6.120 11.670 257 HE2 LYS 29 HE2 LYS 29 3.098 5.494 10.294 258 HE3 LYS 29 HE1 LYS 29 4.144 5.399 8.878 259 HZ1 LYS 29 HZ1 LYS 29 5.395 3.638 9.958 260 HZ2 LYS 29 HZ2 LYS 29 3.761 3.216 9.856 261 HZ3 LYS 29 HZ3 LYS 29 4.409 3.740 11.327 262 H ILE 30 HN ILE 30 5.160 11.067 13.290 263 HA ILE 30 HA ILE 30 7.672 12.164 13.722 264 HB ILE 30 HB ILE 30 4.950 12.750 14.887 265 HG12 ILE 30 HG12 ILE 30 5.716 15.157 14.082 266 HG13 ILE 30 HG11 ILE 30 6.999 14.281 13.263 267 HG21 ILE 30 HG21 ILE 30 5.780 14.573 16.353 268 HG22 ILE 30 HG22 ILE 30 7.430 14.002 16.099 269 HG23 ILE 30 HG23 ILE 30 6.259 12.972 16.920 270 HD11 ILE 30 HD11 ILE 30 5.189 14.777 11.768 271 HD12 ILE 30 HD12 ILE 30 4.048 13.939 12.818 272 HD13 ILE 30 HD13 ILE 30 5.321 13.033 11.997 273 H GLN 31 HN GLN 31 5.694 10.262 15.980 274 HA GLN 31 HA GLN 31 7.497 10.185 18.157 275 HB2 GLN 31 HB2 GLN 31 5.086 9.589 18.286 276 HB3 GLN 31 HB1 GLN 31 5.391 8.142 17.333 277 HG2 GLN 31 HG2 GLN 31 6.849 7.276 19.129 278 HG3 GLN 31 HG1 GLN 31 6.538 8.726 20.077 279 HE21 GLN 31 HE21 GLN 31 4.066 7.021 18.186 280 HE22 GLN 31 HE22 GLN 31 3.138 6.503 19.546 281 H ASP 32 HN ASP 32 7.241 8.229 15.246 282 HA ASP 32 HA ASP 32 9.143 6.213 15.981 283 HB2 ASP 32 HB2 ASP 32 7.417 5.827 14.257 284 HB3 ASP 32 HB1 ASP 32 8.111 7.088 13.246 285 H LYS 33 HN LYS 33 9.406 9.407 14.486 286 HA LYS 33 HA LYS 33 12.114 8.900 13.459 287 HB2 LYS 33 HB2 LYS 33 10.292 11.311 13.145 288 HB3 LYS 33 HB1 LYS 33 11.869 11.153 12.388 289 HG2 LYS 33 HG2 LYS 33 9.552 9.277 11.858 290 HG3 LYS 33 HG1 LYS 33 9.886 10.715 10.897 291 HD2 LYS 33 HD2 LYS 33 12.076 9.772 10.248 292 HD3 LYS 33 HD1 LYS 33 11.744 8.329 11.217 293 HE2 LYS 33 HE2 LYS 33 9.783 7.830 9.776 294 HE3 LYS 33 HE1 LYS 33 10.130 9.268 8.818 295 HZ1 LYS 33 HZ1 LYS 33 10.987 7.239 7.786 296 HZ2 LYS 33 HZ2 LYS 33 11.974 6.964 9.128 297 HZ3 LYS 33 HZ3 LYS 33 12.229 8.323 8.163 298 H GLU 34 HN GLU 34 10.621 11.717 15.202 299 HA GLU 34 HA GLU 34 13.221 12.392 16.318 300 HB2 GLU 34 HB2 GLU 34 12.200 14.428 17.187 301 HB3 GLU 34 HB1 GLU 34 11.815 14.235 15.484 302 HG2 GLU 34 HG2 GLU 34 9.548 13.490 16.065 303 HG3 GLU 34 HG1 GLU 34 9.929 13.611 17.782 304 H GLY 35 HN GLY 35 10.345 10.765 17.409 305 HA2 GLY 35 HA2 GLY 35 10.381 9.206 19.168 306 HA3 GLY 35 HA1 GLY 35 11.765 10.022 19.876 307 H ILE 36 HN ILE 36 9.055 11.920 18.845 308 HA ILE 36 HA ILE 36 8.276 12.405 21.661 309 HB ILE 36 HB ILE 36 8.271 14.274 19.251 310 HG12 ILE 36 HG12 ILE 36 9.346 15.864 20.954 311 HG13 ILE 36 HG11 ILE 36 9.388 14.528 22.093 312 HG21 ILE 36 HG21 ILE 36 6.979 15.943 20.604 313 HG22 ILE 36 HG22 ILE 36 6.678 14.685 21.812 314 HG23 ILE 36 HG23 ILE 36 6.032 14.514 20.182 315 HD11 ILE 36 HD11 ILE 36 10.856 14.670 19.466 316 HD12 ILE 36 HD12 ILE 36 10.920 13.325 20.609 317 HD13 ILE 36 HD13 ILE 36 11.544 14.908 21.072 318 HA PRO 37 HA PRO 37 4.662 10.068 20.462 319 HB2 PRO 37 HB2 PRO 37 3.083 10.504 22.676 320 HB3 PRO 37 HB1 PRO 37 4.473 9.411 22.681 321 HG2 PRO 37 HG2 PRO 37 4.300 12.264 23.638 322 HG3 PRO 37 HG1 PRO 37 5.071 10.866 24.420 323 HD2 PRO 37 HD2 PRO 37 6.500 12.710 23.026 324 HD3 PRO 37 HD1 PRO 37 6.973 11.004 23.062 325 HA PRO 38 HA PRO 38 1.775 12.856 18.416 326 HB2 PRO 38 HB2 PRO 38 -0.580 11.354 18.633 327 HB3 PRO 38 HB1 PRO 38 0.664 11.126 17.402 328 HG2 PRO 38 HG2 PRO 38 0.278 9.651 19.996 329 HG3 PRO 38 HG1 PRO 38 0.667 9.004 18.386 330 HD2 PRO 38 HD2 PRO 38 2.585 9.278 20.218 331 HD3 PRO 38 HD1 PRO 38 2.916 9.690 18.519 332 H ASP 39 HN ASP 39 1.328 11.895 21.692 333 HA ASP 39 HA ASP 39 -0.773 13.714 22.415 334 HB2 ASP 39 HB2 ASP 39 -0.314 11.701 23.749 335 HB3 ASP 39 HB1 ASP 39 1.331 12.243 24.067 336 H GLN 40 HN GLN 40 2.796 13.766 22.607 337 HA GLN 40 HA GLN 40 2.871 16.344 23.963 338 HB2 GLN 40 HB2 GLN 40 4.819 14.171 23.388 339 HB3 GLN 40 HB1 GLN 40 5.521 15.775 23.350 340 HG2 GLN 40 HG2 GLN 40 5.654 14.537 25.558 341 HG3 GLN 40 HG1 GLN 40 5.025 16.179 25.621 342 HE21 GLN 40 HE21 GLN 40 4.167 12.794 25.814 343 HE22 GLN 40 HE22 GLN 40 2.655 13.030 26.613 344 H GLN 41 HN GLN 41 3.166 15.179 20.735 345 HA GLN 41 HA GLN 41 4.099 17.780 19.760 346 HB2 GLN 41 HB2 GLN 41 4.322 16.735 17.600 347 HB3 GLN 41 HB1 GLN 41 5.066 15.702 18.806 348 HG2 GLN 41 HG2 GLN 41 3.989 14.077 17.635 349 HG3 GLN 41 HG1 GLN 41 2.670 14.505 18.707 350 HE21 GLN 41 HE21 GLN 41 3.940 14.858 15.469 351 HE22 GLN 41 HE22 GLN 41 2.460 15.327 14.715 352 H ARG 42 HN ARG 42 2.838 19.027 18.291 353 HA ARG 42 HA ARG 42 -0.003 18.321 17.950 354 HB2 ARG 42 HB2 ARG 42 0.591 20.122 19.814 355 HB3 ARG 42 HB1 ARG 42 0.859 21.203 18.460 356 HG2 ARG 42 HG2 ARG 42 -1.442 21.011 17.752 357 HG3 ARG 42 HG1 ARG 42 -1.742 19.711 18.910 358 HD2 ARG 42 HD2 ARG 42 -1.148 21.389 20.740 359 HD3 ARG 42 HD1 ARG 42 -1.244 22.641 19.495 360 HE ARG 42 HE ARG 42 -3.603 21.327 19.222 361 HH11 ARG 42 HH11 ARG 42 -2.084 22.824 22.025 362 HH12 ARG 42 HH12 ARG 42 -3.597 23.185 22.790 363 HH21 ARG 42 HH21 ARG 42 -5.555 21.766 20.259 364 HH22 ARG 42 HH22 ARG 42 -5.568 22.565 21.800 365 H LEU 43 HN LEU 43 -0.688 18.596 15.966 366 HA LEU 43 HA LEU 43 1.385 19.183 13.969 367 HB2 LEU 43 HB2 LEU 43 0.214 16.870 14.404 368 HB3 LEU 43 HB1 LEU 43 -1.152 17.565 13.557 369 HG LEU 43 HG LEU 43 -0.003 17.603 11.480 370 HD11 LEU 43 HD11 LEU 43 2.600 17.188 12.986 371 HD12 LEU 43 HD12 LEU 43 2.064 18.667 12.180 372 HD13 LEU 43 HD13 LEU 43 2.425 17.232 11.227 373 HD21 LEU 43 HD21 LEU 43 -0.619 15.336 12.132 374 HD22 LEU 43 HD22 LEU 43 0.911 15.125 12.981 375 HD23 LEU 43 HD23 LEU 43 0.888 15.293 11.218 376 H ILE 44 HN ILE 44 1.116 20.933 12.672 377 HA ILE 44 HA ILE 44 -1.551 22.155 12.281 378 HB ILE 44 HB ILE 44 0.904 23.649 13.339 379 HG12 ILE 44 HG12 ILE 44 -1.866 23.299 14.602 380 HG13 ILE 44 HG11 ILE 44 -0.424 22.406 15.068 381 HG21 ILE 44 HG21 ILE 44 -0.453 25.725 13.285 382 HG22 ILE 44 HG22 ILE 44 -1.761 24.852 12.482 383 HG23 ILE 44 HG23 ILE 44 -0.210 25.062 11.669 384 HD11 ILE 44 HD11 ILE 44 -0.825 25.374 15.346 385 HD12 ILE 44 HD12 ILE 44 0.621 24.476 15.815 386 HD13 ILE 44 HD13 ILE 44 -0.911 24.171 16.631 387 H PHE 45 HN PHE 45 -1.836 22.814 10.231 388 HA PHE 45 HA PHE 45 0.460 23.660 8.557 389 HB2 PHE 45 HB2 PHE 45 -0.126 21.364 7.838 390 HB3 PHE 45 HB1 PHE 45 -1.817 21.809 7.689 391 HD1 PHE 45 HD1 PHE 45 1.547 22.209 6.150 392 HD2 PHE 45 HD2 PHE 45 -2.640 22.918 5.680 393 HE1 PHE 45 HE1 PHE 45 1.899 22.704 3.773 394 HE2 PHE 45 HE2 PHE 45 -2.277 23.415 3.302 395 HZ PHE 45 HZ PHE 45 -0.014 23.307 2.343 396 H ALA 46 HN ALA 46 0.044 25.603 7.634 397 HA ALA 46 HA ALA 46 -0.962 27.499 6.901 398 HB1 ALA 46 HB1 ALA 46 -2.217 25.977 5.408 399 HB2 ALA 46 HB2 ALA 46 -3.177 27.386 5.859 400 HB3 ALA 46 HB3 ALA 46 -3.480 25.824 6.631 401 H GLY 47 HN GLY 47 -1.091 26.646 9.811 402 HA2 GLY 47 HA2 GLY 47 -1.498 27.948 11.688 403 HA3 GLY 47 HA1 GLY 47 -2.556 28.982 10.741 404 H LYS 48 HN LYS 48 -3.351 25.692 10.369 405 HA LYS 48 HA LYS 48 -5.455 25.823 12.475 406 HB2 LYS 48 HB2 LYS 48 -6.971 24.652 11.011 407 HB3 LYS 48 HB1 LYS 48 -6.288 25.972 10.071 408 HG2 LYS 48 HG2 LYS 48 -4.598 24.200 9.199 409 HG3 LYS 48 HG1 LYS 48 -5.711 23.011 9.858 410 HD2 LYS 48 HD2 LYS 48 -6.125 23.307 7.484 411 HD3 LYS 48 HD1 LYS 48 -7.507 23.908 8.410 412 HE2 LYS 48 HE2 LYS 48 -6.742 26.218 8.081 413 HE3 LYS 48 HE1 LYS 48 -5.307 25.636 7.231 414 HZ1 LYS 48 HZ1 LYS 48 -7.072 26.365 5.726 415 HZ2 LYS 48 HZ2 LYS 48 -8.100 25.175 6.347 416 HZ3 LYS 48 HZ3 LYS 48 -6.695 24.728 5.515 417 H GLN 49 HN GLN 49 -5.865 23.916 13.630 418 HA GLN 49 HA GLN 49 -3.651 22.100 13.969 419 HB2 GLN 49 HB2 GLN 49 -5.034 22.913 15.872 420 HB3 GLN 49 HB1 GLN 49 -6.436 22.078 15.223 421 HG2 GLN 49 HG2 GLN 49 -5.189 19.908 15.513 422 HG3 GLN 49 HG1 GLN 49 -3.903 20.815 16.308 423 HE21 GLN 49 HE21 GLN 49 -7.389 21.405 16.682 424 HE22 GLN 49 HE22 GLN 49 -7.466 20.946 18.345 425 H LEU 50 HN LEU 50 -3.397 20.171 12.994 426 HA LEU 50 HA LEU 50 -5.314 19.214 11.062 427 HB2 LEU 50 HB2 LEU 50 -2.681 17.968 11.917 428 HB3 LEU 50 HB1 LEU 50 -3.607 17.594 10.470 429 HG LEU 50 HG LEU 50 -2.021 20.112 11.067 430 HD11 LEU 50 HD11 LEU 50 -0.736 18.275 10.198 431 HD12 LEU 50 HD12 LEU 50 -0.854 19.558 8.999 432 HD13 LEU 50 HD13 LEU 50 -1.839 18.100 8.831 433 HD21 LEU 50 HD21 LEU 50 -3.951 19.740 8.752 434 HD22 LEU 50 HD22 LEU 50 -2.819 21.078 8.949 435 HD23 LEU 50 HD23 LEU 50 -4.140 20.874 10.093 436 H GLU 51 HN GLU 51 -6.802 17.704 11.430 437 HA GLU 51 HA GLU 51 -7.140 16.528 14.056 438 HB2 GLU 51 HB2 GLU 51 -9.058 17.617 13.013 439 HB3 GLU 51 HB1 GLU 51 -8.901 16.624 11.570 440 HG2 GLU 51 HG2 GLU 51 -9.565 14.634 12.821 441 HG3 GLU 51 HG1 GLU 51 -9.617 15.558 14.321 442 H ASP 52 HN ASP 52 -7.135 14.378 14.472 443 HA ASP 52 HA ASP 52 -5.253 12.795 13.117 444 HB2 ASP 52 HB2 ASP 52 -7.273 12.110 15.289 445 HB3 ASP 52 HB1 ASP 52 -6.002 11.012 14.764 446 H GLY 53 HN GLY 53 -8.789 12.715 13.141 447 HA2 GLY 53 HA2 GLY 53 -9.139 10.217 11.804 448 HA3 GLY 53 HA1 GLY 53 -10.364 11.447 12.061 449 H ARG 54 HN ARG 54 -8.447 13.388 10.652 450 HA ARG 54 HA ARG 54 -9.397 12.940 7.931 451 HB2 ARG 54 HB2 ARG 54 -7.899 15.265 9.202 452 HB3 ARG 54 HB1 ARG 54 -8.498 15.246 7.539 453 HG2 ARG 54 HG2 ARG 54 -10.809 14.944 8.429 454 HG3 ARG 54 HG1 ARG 54 -10.172 15.082 10.064 455 HD2 ARG 54 HD2 ARG 54 -9.441 17.337 9.644 456 HD3 ARG 54 HD1 ARG 54 -9.903 17.235 7.945 457 HE ARG 54 HE ARG 54 -11.893 16.970 10.121 458 HH11 ARG 54 HH11 ARG 54 -10.821 18.561 7.175 459 HH12 ARG 54 HH12 ARG 54 -12.309 19.412 6.958 460 HH21 ARG 54 HH21 ARG 54 -13.835 18.086 9.798 461 HH22 ARG 54 HH22 ARG 54 -14.012 19.150 8.442 462 H THR 55 HN THR 55 -7.729 13.797 6.221 463 HA THR 55 HA THR 55 -5.171 12.308 6.534 464 HB THR 55 HB THR 55 -5.234 12.016 4.023 465 HG1 THR 55 HG1 THR 55 -7.675 12.246 3.344 466 HG21 THR 55 HG21 THR 55 -5.964 10.154 5.448 467 HG22 THR 55 HG22 THR 55 -6.921 10.217 3.968 468 HG23 THR 55 HG23 THR 55 -7.606 10.804 5.485 469 H LEU 56 HN LEU 56 -3.439 13.161 5.039 470 HA LEU 56 HA LEU 56 -2.881 15.888 5.408 471 HB2 LEU 56 HB2 LEU 56 -1.794 13.940 3.335 472 HB3 LEU 56 HB1 LEU 56 -1.126 15.540 3.593 473 HG LEU 56 HG LEU 56 -1.171 13.364 5.727 474 HD11 LEU 56 HD11 LEU 56 0.243 12.658 3.849 475 HD12 LEU 56 HD12 LEU 56 1.220 13.039 5.262 476 HD13 LEU 56 HD13 LEU 56 1.130 14.184 3.920 477 HD21 LEU 56 HD21 LEU 56 -1.064 15.657 6.640 478 HD22 LEU 56 HD22 LEU 56 0.339 16.006 5.630 479 HD23 LEU 56 HD23 LEU 56 0.448 14.793 6.909 480 H SER 57 HN SER 57 -4.099 14.156 2.566 481 HA SER 57 HA SER 57 -4.257 16.290 0.748 482 HB2 SER 57 HB2 SER 57 -4.262 13.919 0.068 483 HB3 SER 57 HB1 SER 57 -5.822 13.666 0.847 484 HG SER 57 HG SER 57 -5.294 15.390 -1.359 485 H ASP 58 HN ASP 58 -6.419 15.246 3.335 486 HA ASP 58 HA ASP 58 -8.816 16.553 2.517 487 HB2 ASP 58 HB2 ASP 58 -8.756 14.843 4.321 488 HB3 ASP 58 HB1 ASP 58 -7.806 15.923 5.333 489 H TYR 59 HN TYR 59 -6.061 17.541 4.542 490 HA TYR 59 HA TYR 59 -7.058 20.263 4.852 491 HB2 TYR 59 HB2 TYR 59 -4.667 18.750 5.931 492 HB3 TYR 59 HB1 TYR 59 -4.737 20.501 6.052 493 HD1 TYR 59 HD2 TYR 59 -6.868 21.502 7.151 494 HD2 TYR 59 HD1 TYR 59 -5.645 17.437 7.645 495 HE1 TYR 59 HE2 TYR 59 -8.156 21.373 9.228 496 HE2 TYR 59 HE1 TYR 59 -6.941 17.314 9.722 497 HH TYR 59 HH TYR 59 -7.723 19.243 11.512 498 H ASN 60 HN ASN 60 -6.039 18.960 2.202 499 HA ASN 60 HA ASN 60 -5.178 19.672 0.247 500 HB2 ASN 60 HB2 ASN 60 -5.036 22.392 1.616 501 HB3 ASN 60 HB1 ASN 60 -4.866 22.123 -0.115 502 HD21 ASN 60 HD21 ASN 60 -7.096 22.032 2.596 503 HD22 ASN 60 HD22 ASN 60 -8.548 22.027 1.647 504 H ILE 61 HN ILE 61 -3.468 18.861 2.598 505 HA ILE 61 HA ILE 61 -0.806 19.847 1.967 506 HB ILE 61 HB ILE 61 -1.552 17.437 3.684 507 HG12 ILE 61 HG12 ILE 61 -1.125 20.226 4.813 508 HG13 ILE 61 HG11 ILE 61 -2.720 19.627 4.376 509 HG21 ILE 61 HG21 ILE 61 0.923 19.203 3.763 510 HG22 ILE 61 HG22 ILE 61 0.834 17.571 3.099 511 HG23 ILE 61 HG23 ILE 61 0.599 17.831 4.828 512 HD11 ILE 61 HD11 ILE 61 -2.556 17.854 5.992 513 HD12 ILE 61 HD12 ILE 61 -2.234 19.410 6.763 514 HD13 ILE 61 HD13 ILE 61 -0.896 18.323 6.388 515 H GLN 62 HN GLN 62 0.528 18.841 0.541 516 HA GLN 62 HA GLN 62 -0.255 16.203 -0.590 517 HB2 GLN 62 HB2 GLN 62 0.846 16.890 -2.665 518 HB3 GLN 62 HB1 GLN 62 -0.430 18.019 -2.256 519 HG2 GLN 62 HG2 GLN 62 1.075 19.742 -1.697 520 HG3 GLN 62 HG1 GLN 62 2.420 18.628 -1.464 521 HE21 GLN 62 HE21 GLN 62 3.591 17.939 -3.232 522 HE22 GLN 62 HE22 GLN 62 3.453 18.667 -4.792 523 H LYS 63 HN LYS 63 1.927 15.359 -1.778 524 HA LYS 63 HA LYS 63 3.713 14.597 0.254 525 HB2 LYS 63 HB2 LYS 63 5.087 13.604 -1.530 526 HB3 LYS 63 HB1 LYS 63 3.387 13.215 -1.748 527 HG2 LYS 63 HG2 LYS 63 3.198 14.871 -3.538 528 HG3 LYS 63 HG1 LYS 63 4.874 15.369 -3.293 529 HD2 LYS 63 HD2 LYS 63 3.950 12.614 -4.211 530 HD3 LYS 63 HD1 LYS 63 4.652 13.861 -5.245 531 HE2 LYS 63 HE2 LYS 63 6.765 13.725 -3.971 532 HE3 LYS 63 HE1 LYS 63 6.061 12.488 -2.928 533 HZ1 LYS 63 HZ1 LYS 63 7.453 11.538 -4.657 534 HZ2 LYS 63 HZ2 LYS 63 6.478 12.224 -5.857 535 HZ3 LYS 63 HZ3 LYS 63 5.847 11.036 -4.834 536 H GLU 64 HN GLU 64 5.411 15.530 1.069 537 HA GLU 64 HA GLU 64 7.271 16.698 1.448 538 HB2 GLU 64 HB2 GLU 64 7.193 17.389 -1.515 539 HB3 GLU 64 HB1 GLU 64 8.546 17.729 -0.436 540 HG2 GLU 64 HG2 GLU 64 8.824 15.302 -0.025 541 HG3 GLU 64 HG1 GLU 64 7.494 14.967 -1.136 542 H SER 65 HN SER 65 4.399 17.914 1.308 543 HA SER 65 HA SER 65 4.871 20.739 1.281 544 HB2 SER 65 HB2 SER 65 2.690 19.135 2.673 545 HB3 SER 65 HB1 SER 65 2.698 20.892 2.506 546 HG SER 65 HG SER 65 3.059 20.046 0.105 547 H THR 66 HN THR 66 5.467 22.115 2.923 548 HA THR 66 HA THR 66 6.554 20.927 5.374 549 HB THR 66 HB THR 66 6.831 23.788 4.351 550 HG1 THR 66 HG1 THR 66 7.883 21.767 3.271 551 HG21 THR 66 HG21 THR 66 7.146 23.664 6.801 552 HG22 THR 66 HG22 THR 66 8.695 23.939 6.002 553 HG23 THR 66 HG23 THR 66 8.287 22.332 6.604 554 H LEU 67 HN LEU 67 5.600 21.111 7.263 555 HA LEU 67 HA LEU 67 3.591 23.175 7.846 556 HB2 LEU 67 HB2 LEU 67 2.180 21.437 9.000 557 HB3 LEU 67 HB1 LEU 67 2.179 21.333 7.258 558 HG LEU 67 HG LEU 67 3.946 19.505 8.915 559 HD11 LEU 67 HD11 LEU 67 1.640 19.242 9.747 560 HD12 LEU 67 HD12 LEU 67 2.197 17.808 8.889 561 HD13 LEU 67 HD13 LEU 67 1.081 18.929 8.100 562 HD21 LEU 67 HD21 LEU 67 4.421 19.571 6.494 563 HD22 LEU 67 HD22 LEU 67 2.739 19.170 6.140 564 HD23 LEU 67 HD23 LEU 67 3.772 18.003 6.970 565 H HIS 68 HN HIS 68 3.120 23.130 10.288 566 HA HIS 68 HA HIS 68 5.753 23.141 11.612 567 HB2 HIS 68 HB2 HIS 68 3.158 24.594 12.289 568 HB3 HIS 68 HB1 HIS 68 4.627 24.684 13.262 569 HD1 HIS 68 HD1 HIS 68 6.111 26.602 12.707 570 HD2 HIS 68 HD2 HIS 68 3.734 25.533 9.467 571 HE1 HIS 68 HE1 HIS 68 6.640 28.258 10.902 572 HE2 HIS 68 HE2 HIS 68 5.346 27.468 8.900 573 H LEU 69 HN LEU 69 6.080 22.335 13.635 574 HA LEU 69 HA LEU 69 4.118 20.429 14.768 575 HB2 LEU 69 HB2 LEU 69 6.117 19.425 13.427 576 HB3 LEU 69 HB1 LEU 69 7.143 19.992 14.718 577 HG LEU 69 HG LEU 69 6.503 17.525 14.787 578 HD11 LEU 69 HD11 LEU 69 7.374 18.635 16.793 579 HD12 LEU 69 HD12 LEU 69 6.202 17.384 17.189 580 HD13 LEU 69 HD13 LEU 69 5.733 19.085 17.263 581 HD21 LEU 69 HD21 LEU 69 4.179 17.757 14.074 582 HD22 LEU 69 HD22 LEU 69 3.783 18.601 15.576 583 HD23 LEU 69 HD23 LEU 69 4.292 16.912 15.614 584 H VAL 70 HN VAL 70 3.833 20.677 16.858 585 HA VAL 70 HA VAL 70 5.380 22.724 18.330 586 HB VAL 70 HB VAL 70 2.439 21.943 18.539 587 HG11 VAL 70 HG11 VAL 70 3.332 22.552 20.755 588 HG12 VAL 70 HG12 VAL 70 2.202 23.771 20.176 589 HG13 VAL 70 HG13 VAL 70 3.936 24.079 20.110 590 HG21 VAL 70 HG21 VAL 70 1.975 24.159 17.591 591 HG22 VAL 70 HG22 VAL 70 3.022 23.257 16.504 592 HG23 VAL 70 HG23 VAL 70 3.698 24.530 17.524 593 H LEU 71 HN LEU 71 6.289 22.116 20.189 594 HA LEU 71 HA LEU 71 5.929 19.358 21.149 595 HB2 LEU 71 HB2 LEU 71 8.113 21.404 21.715 596 HB3 LEU 71 HB1 LEU 71 8.070 19.757 22.315 597 HG LEU 71 HG LEU 71 8.313 20.541 19.388 598 HD11 LEU 71 HD11 LEU 71 10.605 19.668 19.527 599 HD12 LEU 71 HD12 LEU 71 10.396 19.376 21.256 600 HD13 LEU 71 HD13 LEU 71 10.364 21.025 20.628 601 HD21 LEU 71 HD21 LEU 71 7.094 18.427 19.625 602 HD22 LEU 71 HD22 LEU 71 8.375 17.777 20.651 603 HD23 LEU 71 HD23 LEU 71 8.700 18.142 18.955 604 H ARG 72 HN ARG 72 5.466 18.886 23.262 605 HA ARG 72 HA ARG 72 4.515 21.064 25.057 606 HB2 ARG 72 HB2 ARG 72 3.504 18.200 24.753 607 HB3 ARG 72 HB1 ARG 72 3.006 19.278 26.053 608 HG2 ARG 72 HG2 ARG 72 1.969 20.802 24.442 609 HG3 ARG 72 HG1 ARG 72 2.530 19.794 23.104 610 HD2 ARG 72 HD2 ARG 72 0.146 19.384 23.638 611 HD3 ARG 72 HD1 ARG 72 1.130 17.935 23.867 612 HE ARG 72 HE ARG 72 0.540 19.622 26.205 613 HH11 ARG 72 HH11 ARG 72 -0.115 16.620 24.497 614 HH12 ARG 72 HH12 ARG 72 -0.840 15.856 25.872 615 HH21 ARG 72 HH21 ARG 72 -0.432 18.591 27.999 616 HH22 ARG 72 HH22 ARG 72 -1.019 16.966 27.846 617 H LEU 73 HN LEU 73 6.162 17.939 24.857 618 HA LEU 73 HA LEU 73 7.342 16.642 26.274 619 HB2 LEU 73 HB2 LEU 73 8.536 19.388 26.676 620 HB3 LEU 73 HB1 LEU 73 9.164 18.041 27.603 621 HG LEU 73 HG LEU 73 10.599 18.388 25.698 622 HD11 LEU 73 HD11 LEU 73 8.956 15.900 25.207 623 HD12 LEU 73 HD12 LEU 73 10.300 16.064 26.336 624 HD13 LEU 73 HD13 LEU 73 10.588 16.209 24.606 625 HD21 LEU 73 HD21 LEU 73 9.854 18.241 23.365 626 HD22 LEU 73 HD22 LEU 73 9.067 19.569 24.212 627 HD23 LEU 73 HD23 LEU 73 8.178 18.078 23.905 628 H ARG 74 HN ARG 74 4.819 17.285 27.351 629 HA ARG 74 HA ARG 74 5.018 17.778 30.188 630 HB2 ARG 74 HB2 ARG 74 2.721 16.466 28.669 631 HB3 ARG 74 HB1 ARG 74 2.642 17.185 30.273 632 HG2 ARG 74 HG2 ARG 74 3.043 18.637 27.644 633 HG3 ARG 74 HG1 ARG 74 1.601 18.657 28.658 634 HD2 ARG 74 HD2 ARG 74 4.319 19.821 29.367 635 HD3 ARG 74 HD1 ARG 74 2.873 20.729 28.916 636 HE ARG 74 HE ARG 74 1.919 19.481 31.024 637 HH11 ARG 74 HH11 ARG 74 5.099 20.975 30.716 638 HH12 ARG 74 HH12 ARG 74 5.213 21.330 32.405 639 HH21 ARG 74 HH21 ARG 74 2.113 19.928 33.232 640 HH22 ARG 74 HH22 ARG 74 3.527 20.734 33.834 641 H GLY 75 HN GLY 75 4.608 14.961 28.121 642 HA2 GLY 75 HA2 GLY 75 5.625 13.152 30.237 643 HA3 GLY 75 HA1 GLY 75 4.436 12.670 29.026 644 H GLY 76 HN GLY 76 7.617 14.295 29.106 645 HA2 GLY 76 HA2 GLY 76 9.051 12.228 27.824 646 HA3 GLY 76 HA1 GLY 76 8.605 13.443 26.627 647 H1 GLY 195 HN GLY 195 18.804 17.198 24.560 648 HA2 GLY 195 HA2 GLY 195 17.057 15.541 26.208 649 HA3 GLY 195 HA1 GLY 195 18.612 16.223 26.660 650 H SER 196 HN SER 196 15.377 17.346 25.747 651 HA SER 196 HA SER 196 15.515 19.810 27.150 652 HB2 SER 196 HB2 SER 196 13.051 18.358 26.086 653 HB3 SER 196 HB1 SER 196 13.146 20.067 26.527 654 HG SER 196 HG SER 196 14.102 18.753 24.274 655 H ARG 197 HN ARG 197 14.447 20.475 29.026 656 HA ARG 197 HA ARG 197 13.020 18.715 30.791 657 HB2 ARG 197 HB2 ARG 197 14.667 18.575 32.592 658 HB3 ARG 197 HB1 ARG 197 15.347 17.891 31.124 659 HG2 ARG 197 HG2 ARG 197 16.431 20.260 30.807 660 HG3 ARG 197 HG1 ARG 197 16.075 20.466 32.524 661 HD2 ARG 197 HD2 ARG 197 18.338 19.664 32.315 662 HD3 ARG 197 HD1 ARG 197 17.358 18.340 32.965 663 HE ARG 197 HE ARG 197 17.662 18.402 30.071 664 HH11 ARG 197 HH11 ARG 197 18.893 17.015 33.068 665 HH12 ARG 197 HH12 ARG 197 19.707 15.725 32.246 666 HH21 ARG 197 HH21 ARG 197 18.728 16.717 29.049 667 HH22 ARG 197 HH22 ARG 197 19.622 15.561 29.983 668 H GLN 198 HN GLN 198 14.813 21.698 30.288 669 HA GLN 198 HA GLN 198 13.170 23.268 32.111 670 HB2 GLN 198 HB2 GLN 198 15.255 24.123 30.048 671 HB3 GLN 198 HB1 GLN 198 14.504 25.186 31.235 672 HG2 GLN 198 HG2 GLN 198 15.550 23.913 33.061 673 HG3 GLN 198 HG1 GLN 198 16.262 22.801 31.893 674 HE21 GLN 198 HE21 GLN 198 18.359 23.268 32.580 675 HE22 GLN 198 HE22 GLN 198 19.144 24.768 32.238 676 H VAL 199 HN VAL 199 11.831 25.071 31.296 677 HA VAL 199 HA VAL 199 10.032 24.218 29.286 678 HB VAL 199 HB VAL 199 9.219 25.555 31.136 679 HG11 VAL 199 HG11 VAL 199 11.134 26.986 31.590 680 HG12 VAL 199 HG12 VAL 199 9.678 27.962 31.404 681 HG13 VAL 199 HG13 VAL 199 10.860 27.884 30.096 682 HG21 VAL 199 HG21 VAL 199 7.922 25.643 29.056 683 HG22 VAL 199 HG22 VAL 199 8.838 27.049 28.510 684 HG23 VAL 199 HG23 VAL 199 7.792 27.171 29.926 685 H THR 200 HN THR 200 10.200 24.339 27.187 686 HA THR 200 HA THR 200 12.475 25.481 25.901 687 HB THR 200 HB THR 200 9.996 24.175 24.690 688 HG1 THR 200 HG1 THR 200 10.794 22.340 25.353 689 HG21 THR 200 HG21 THR 200 11.372 25.353 23.008 690 HG22 THR 200 HG22 THR 200 11.451 23.606 22.794 691 HG23 THR 200 HG23 THR 200 12.799 24.462 23.544 692 H LYS 201 HN LYS 201 12.650 27.408 24.856 693 HA LYS 201 HA LYS 201 10.422 29.275 24.654 694 HB2 LYS 201 HB2 LYS 201 13.364 29.534 23.863 695 HB3 LYS 201 HB1 LYS 201 12.181 30.818 23.657 696 HG2 LYS 201 HG2 LYS 201 13.480 31.299 25.613 697 HG3 LYS 201 HG1 LYS 201 11.852 30.862 26.135 698 HD2 LYS 201 HD2 LYS 201 12.677 28.579 26.699 699 HD3 LYS 201 HD1 LYS 201 14.304 29.064 26.215 700 HE2 LYS 201 HE2 LYS 201 14.449 30.648 28.023 701 HE3 LYS 201 HE1 LYS 201 12.738 30.448 28.413 702 HZ1 LYS 201 HZ1 LYS 201 14.838 28.373 28.680 703 HZ2 LYS 201 HZ2 LYS 201 13.195 28.144 29.000 704 HZ3 LYS 201 HZ3 LYS 201 14.098 29.219 29.946 705 H VAL 202 HN VAL 202 9.225 29.509 22.844 706 HA VAL 202 HA VAL 202 10.011 28.345 20.272 707 HB VAL 202 HB VAL 202 7.752 27.032 20.252 708 HG11 VAL 202 HG11 VAL 202 9.893 25.827 20.348 709 HG12 VAL 202 HG12 VAL 202 8.696 25.026 21.370 710 HG13 VAL 202 HG13 VAL 202 9.955 26.024 22.102 711 HG21 VAL 202 HG21 VAL 202 8.031 27.372 23.271 712 HG22 VAL 202 HG22 VAL 202 6.859 26.338 22.450 713 HG23 VAL 202 HG23 VAL 202 6.771 28.089 22.263 714 H ASP 203 HN ASP 203 7.785 28.464 18.854 715 HA ASP 203 HA ASP 203 6.666 31.193 19.168 716 HB2 ASP 203 HB2 ASP 203 7.824 29.897 16.662 717 HB3 ASP 203 HB1 ASP 203 6.687 31.238 16.564 718 H CYS 204 HN CYS 204 4.590 31.506 18.487 719 HA CYS 204 HA CYS 204 2.831 29.171 18.241 720 HB2 CYS 204 HB2 CYS 204 2.350 30.974 19.937 721 HB3 CYS 204 HB1 CYS 204 2.159 32.125 18.640 722 HA PRO 205 HA PRO 205 3.678 30.178 13.839 723 HB2 PRO 205 HB2 PRO 205 2.382 27.989 12.708 724 HB3 PRO 205 HB1 PRO 205 4.016 27.940 13.382 725 HG2 PRO 205 HG2 PRO 205 1.408 27.172 14.697 726 HG3 PRO 205 HG1 PRO 205 2.949 26.285 14.671 727 HD2 PRO 205 HD2 PRO 205 2.267 27.721 16.818 728 HD3 PRO 205 HD1 PRO 205 3.948 27.720 16.247 729 H VAL 206 HN VAL 206 0.546 29.944 15.278 730 HA VAL 206 HA VAL 206 -0.981 30.559 12.897 731 HB VAL 206 HB VAL 206 -1.941 30.683 15.792 732 HG11 VAL 206 HG11 VAL 206 -3.486 30.359 13.187 733 HG12 VAL 206 HG12 VAL 206 -3.443 31.801 14.203 734 HG13 VAL 206 HG13 VAL 206 -4.186 30.322 14.809 735 HG21 VAL 206 HG21 VAL 206 -0.990 28.449 15.346 736 HG22 VAL 206 HG22 VAL 206 -2.001 28.283 13.909 737 HG23 VAL 206 HG23 VAL 206 -2.744 28.358 15.509 738 H CYS 207 HN CYS 207 -0.298 32.372 15.952 739 HA CYS 207 HA CYS 207 -1.077 34.890 14.595 740 HB2 CYS 207 HB2 CYS 207 -1.583 35.836 16.733 741 HB3 CYS 207 HB1 CYS 207 -2.288 34.220 16.737 742 H GLY 208 HN GLY 208 1.685 33.201 15.384 743 HA2 GLY 208 HA2 GLY 208 3.858 33.697 14.888 744 HA3 GLY 208 HA1 GLY 208 3.315 35.258 14.307 745 H VAL 209 HN VAL 209 3.185 33.875 17.614 746 HA VAL 209 HA VAL 209 4.830 36.166 18.563 747 HB VAL 209 HB VAL 209 3.587 36.206 20.663 748 HG11 VAL 209 HG11 VAL 209 2.716 37.585 18.831 749 HG12 VAL 209 HG12 VAL 209 1.398 37.022 19.858 750 HG13 VAL 209 HG13 VAL 209 1.683 36.258 18.290 751 HG21 VAL 209 HG21 VAL 209 1.867 33.945 19.556 752 HG22 VAL 209 HG22 VAL 209 1.562 34.828 21.053 753 HG23 VAL 209 HG23 VAL 209 3.002 33.827 20.904 754 H ASN 210 HN ASN 210 6.521 35.764 19.906 755 HA ASN 210 HA ASN 210 7.356 32.988 20.280 756 HB2 ASN 210 HB2 ASN 210 8.954 34.695 19.373 757 HB3 ASN 210 HB1 ASN 210 8.879 35.561 20.906 758 HD21 ASN 210 HD21 ASN 210 9.933 32.607 19.331 759 HD22 ASN 210 HD22 ASN 210 11.043 32.120 20.563 760 H ILE 211 HN ILE 211 7.249 31.941 22.195 761 HA ILE 211 HA ILE 211 6.694 33.212 24.748 762 HB ILE 211 HB ILE 211 4.487 31.844 24.968 763 HG12 ILE 211 HG12 ILE 211 4.760 31.839 21.925 764 HG13 ILE 211 HG11 ILE 211 4.715 30.429 22.979 765 HG21 ILE 211 HG21 ILE 211 3.073 33.628 24.043 766 HG22 ILE 211 HG22 ILE 211 4.440 34.249 23.115 767 HG23 ILE 211 HG23 ILE 211 4.475 34.300 24.879 768 HD11 ILE 211 HD11 ILE 211 2.445 32.337 22.446 769 HD12 ILE 211 HD12 ILE 211 2.385 30.957 23.548 770 HD13 ILE 211 HD13 ILE 211 2.628 30.698 21.819 771 HA PRO 212 HA PRO 212 8.333 29.271 26.389 772 HB2 PRO 212 HB2 PRO 212 6.590 28.893 28.575 773 HB3 PRO 212 HB1 PRO 212 8.062 29.863 28.591 774 HG2 PRO 212 HG2 PRO 212 5.220 30.749 28.214 775 HG3 PRO 212 HG1 PRO 212 6.521 31.513 29.151 776 HD2 PRO 212 HD2 PRO 212 5.821 32.474 26.747 777 HD3 PRO 212 HD1 PRO 212 7.528 32.432 27.239 778 H GLU 213 HN GLU 213 7.755 27.047 26.791 779 HA GLU 213 HA GLU 213 6.300 25.943 24.669 780 HB2 GLU 213 HB2 GLU 213 8.323 24.982 25.725 781 HB3 GLU 213 HB1 GLU 213 7.402 24.626 27.174 782 HG2 GLU 213 HG2 GLU 213 6.008 23.037 25.855 783 HG3 GLU 213 HG1 GLU 213 7.009 23.371 24.443 784 H SER 214 HN SER 214 5.519 25.979 28.169 785 HA SER 214 HA SER 214 3.112 24.501 28.038 786 HB2 SER 214 HB2 SER 214 3.876 26.678 30.036 787 HB3 SER 214 HB1 SER 214 2.669 25.408 30.283 788 HG SER 214 HG SER 214 4.807 24.114 29.609 789 H HIS 215 HN HIS 215 3.821 27.930 27.714 790 HA HIS 215 HA HIS 215 1.114 28.845 27.548 791 HB2 HIS 215 HB2 HIS 215 3.081 30.225 28.349 792 HB3 HIS 215 HB1 HIS 215 3.650 30.301 26.687 793 HD1 HIS 215 HD1 HIS 215 3.413 32.924 26.931 794 HD2 HIS 215 HD2 HIS 215 -0.174 30.827 27.126 795 HE1 HIS 215 HE1 HIS 215 1.601 34.638 26.661 796 HE2 HIS 215 HE2 HIS 215 -0.552 33.347 26.757 797 H ILE 216 HN ILE 216 3.438 27.605 25.239 798 HA ILE 216 HA ILE 216 2.303 28.822 22.922 799 HB ILE 216 HB ILE 216 4.719 27.707 23.247 800 HG12 ILE 216 HG12 ILE 216 3.892 29.011 21.238 801 HG13 ILE 216 HG11 ILE 216 5.077 27.773 20.853 802 HG21 ILE 216 HG21 ILE 216 3.981 25.382 23.563 803 HG22 ILE 216 HG22 ILE 216 4.993 25.528 22.133 804 HG23 ILE 216 HG23 ILE 216 3.243 25.374 21.965 805 HD11 ILE 216 HD11 ILE 216 2.106 27.630 20.413 806 HD12 ILE 216 HD12 ILE 216 3.232 26.304 20.113 807 HD13 ILE 216 HD13 ILE 216 3.367 27.797 19.195 808 H ASN 217 HN ASN 217 1.907 25.667 24.530 809 HA ASN 217 HA ASN 217 0.138 24.584 22.576 810 HB2 ASN 217 HB2 ASN 217 1.432 23.194 24.206 811 HB3 ASN 217 HB1 ASN 217 0.402 23.783 25.508 812 HD21 ASN 217 HD21 ASN 217 -1.534 22.756 25.842 813 HD22 ASN 217 HD22 ASN 217 -2.147 21.480 24.858 814 H LYS 218 HN LYS 218 -0.402 26.452 25.575 815 HA LYS 218 HA LYS 218 -3.257 26.329 25.504 816 HB2 LYS 218 HB2 LYS 218 -1.931 26.918 27.539 817 HB3 LYS 218 HB1 LYS 218 -1.486 28.453 26.795 818 HG2 LYS 218 HG2 LYS 218 -3.864 29.130 26.755 819 HG3 LYS 218 HG1 LYS 218 -4.324 27.576 27.451 820 HD2 LYS 218 HD2 LYS 218 -4.333 29.312 29.171 821 HD3 LYS 218 HD1 LYS 218 -3.075 28.129 29.518 822 HE2 LYS 218 HE2 LYS 218 -1.354 29.653 28.722 823 HE3 LYS 218 HE1 LYS 218 -2.574 30.802 28.164 824 HZ1 LYS 218 HZ1 LYS 218 -3.233 31.207 30.409 825 HZ2 LYS 218 HZ2 LYS 218 -1.558 31.399 30.312 826 HZ3 LYS 218 HZ3 LYS 218 -2.209 29.999 30.994 827 H HIS 219 HN HIS 219 -0.895 28.595 24.133 828 HA HIS 219 HA HIS 219 -2.688 30.648 23.370 829 HB2 HIS 219 HB2 HIS 219 0.109 30.340 23.234 830 HB3 HIS 219 HB1 HIS 219 -0.349 30.407 21.542 831 HD2 HIS 219 HD2 HIS 219 -0.753 32.597 24.780 832 HE1 HIS 219 HE1 HIS 219 -0.858 35.127 21.415 833 HE2 HIS 219 HE2 HIS 219 -0.702 35.027 23.925 834 H LEU 220 HN LEU 220 -1.354 27.872 21.656 835 HA LEU 220 HA LEU 220 -2.623 28.224 19.171 836 HB2 LEU 220 HB2 LEU 220 -1.777 25.680 20.582 837 HB3 LEU 220 HB1 LEU 220 -2.295 25.750 18.897 838 HG LEU 220 HG LEU 220 0.122 27.172 20.035 839 HD11 LEU 220 HD11 LEU 220 -0.058 24.648 18.396 840 HD12 LEU 220 HD12 LEU 220 0.408 24.779 20.095 841 HD13 LEU 220 HD13 LEU 220 1.423 25.494 18.848 842 HD21 LEU 220 HD21 LEU 220 -0.844 28.357 18.102 843 HD22 LEU 220 HD22 LEU 220 -0.756 26.878 17.142 844 HD23 LEU 220 HD23 LEU 220 0.721 27.649 17.720 845 H ASP 221 HN ASP 221 -3.595 26.533 22.119 846 HA ASP 221 HA ASP 221 -5.809 25.144 21.140 847 HB2 ASP 221 HB2 ASP 221 -4.599 24.943 23.416 848 HB3 ASP 221 HB1 ASP 221 -5.620 26.262 23.967 849 H SER 222 HN SER 222 -5.473 28.504 22.082 850 HA SER 222 HA SER 222 -8.307 29.136 21.641 851 HB2 SER 222 HB2 SER 222 -7.024 30.266 23.454 852 HB3 SER 222 HB1 SER 222 -5.929 30.953 22.250 853 HG SER 222 HG SER 222 -7.649 32.144 21.431 854 H CYS 223 HN CYS 223 -5.183 29.513 19.996 855 HA CYS 223 HA CYS 223 -6.041 31.463 18.078 856 HB2 CYS 223 HB2 CYS 223 -3.465 29.874 18.356 857 HB3 CYS 223 HB1 CYS 223 -3.722 31.088 17.105 858 H LEU 224 HN LEU 224 -6.072 27.999 18.125 859 HA LEU 224 HA LEU 224 -6.154 27.695 15.213 860 HB2 LEU 224 HB2 LEU 224 -6.224 25.280 15.620 861 HB3 LEU 224 HB1 LEU 224 -4.922 26.015 16.528 862 HG LEU 224 HG LEU 224 -6.664 25.933 18.541 863 HD11 LEU 224 HD11 LEU 224 -7.721 23.660 16.839 864 HD12 LEU 224 HD12 LEU 224 -8.603 25.119 17.293 865 HD13 LEU 224 HD13 LEU 224 -8.121 23.964 18.532 866 HD21 LEU 224 HD21 LEU 224 -4.499 24.795 18.526 867 HD22 LEU 224 HD22 LEU 224 -5.187 23.460 17.600 868 HD23 LEU 224 HD23 LEU 224 -5.743 23.773 19.246 869 H SER 225 HN SER 225 -8.226 28.019 17.935 870 HA SER 225 HA SER 225 -10.631 26.968 16.839 871 HB2 SER 225 HB2 SER 225 -10.229 28.923 19.139 872 HB3 SER 225 HB1 SER 225 -11.707 28.022 18.797 873 HG SER 225 HG SER 225 -10.325 26.090 19.046 874 H ARG 226 HN ARG 226 -10.721 27.874 14.798 875 HA ARG 226 HA ARG 226 -11.062 30.785 14.473 876 HB2 ARG 226 HB2 ARG 226 -10.679 30.355 12.070 877 HB3 ARG 226 HB1 ARG 226 -9.374 29.691 13.044 878 HG2 ARG 226 HG2 ARG 226 -10.488 27.420 12.836 879 HG3 ARG 226 HG1 ARG 226 -11.611 28.148 11.687 880 HD2 ARG 226 HD2 ARG 226 -8.611 27.835 11.381 881 HD3 ARG 226 HD1 ARG 226 -9.867 27.023 10.445 882 HE ARG 226 HE ARG 226 -8.903 29.761 10.145 883 HH11 ARG 226 HH11 ARG 226 -11.426 27.477 9.217 884 HH12 ARG 226 HH12 ARG 226 -11.797 28.324 7.752 885 HH21 ARG 226 HH21 ARG 226 -9.415 30.829 8.217 886 HH22 ARG 226 HH22 ARG 226 -10.665 30.211 7.182 887 H GLU 227 HN GLU 227 -12.706 27.687 14.062 888 HA GLU 227 HA GLU 227 -15.286 29.052 13.570 889 HB2 GLU 227 HB2 GLU 227 -14.334 26.513 12.137 890 HB3 GLU 227 HB1 GLU 227 -15.917 27.269 11.960 891 HG2 GLU 227 HG2 GLU 227 -14.926 29.220 10.904 892 HG3 GLU 227 HG1 GLU 227 -13.302 28.600 11.198 Start of MODEL 5 1 H1 GLY -2 HT1 GLY -2 -1.147 5.415 -2.542 2 H2 GLY -2 HT2 GLY -2 -0.664 3.799 -2.551 3 H3 GLY -2 HT3 GLY -2 -2.077 4.264 -3.351 4 HA2 GLY -2 HA1 GLY -2 -0.326 3.898 -4.931 5 HA3 GLY -2 HA2 GLY -2 -0.816 5.586 -4.897 6 H SER -1 HN SER -1 0.950 6.806 -5.215 7 HA SER -1 HA SER -1 3.611 5.909 -4.463 8 HB2 SER -1 HB2 SER -1 2.722 8.456 -5.891 9 HB3 SER -1 HB1 SER -1 4.386 7.868 -5.749 10 HG SER -1 HG SER -1 3.961 6.256 -7.127 11 H HIS 0 HN HIS 0 4.403 6.310 -2.499 12 HA HIS 0 HA HIS 0 3.360 8.244 -0.647 13 HB2 HIS 0 HB2 HIS 0 5.853 6.485 -0.556 14 HB3 HIS 0 HB1 HIS 0 5.312 7.491 0.784 15 HD1 HIS 0 HD1 HIS 0 3.890 6.308 2.445 16 HD2 HIS 0 HD2 HIS 0 3.720 4.478 -1.286 17 HE1 HIS 0 HE1 HIS 0 2.539 4.224 2.770 18 HE2 HIS 0 HE2 HIS 0 2.462 3.121 0.510 19 H MET 1 HN MET 1 3.704 10.357 -1.008 20 HA MET 1 HA MET 1 6.031 11.380 -2.446 21 HB2 MET 1 HB2 MET 1 3.576 12.818 -1.340 22 HB3 MET 1 HB1 MET 1 4.791 13.533 -2.392 23 HG2 MET 1 HG2 MET 1 2.941 11.258 -3.148 24 HG3 MET 1 HG1 MET 1 2.746 12.953 -3.613 25 HE1 MET 1 HE1 MET 1 3.794 11.247 -7.000 26 HE2 MET 1 HE2 MET 1 2.582 12.238 -6.191 27 HE3 MET 1 HE3 MET 1 2.776 10.543 -5.743 28 H GLN 2 HN GLN 2 6.955 13.519 -1.550 29 HA GLN 2 HA GLN 2 7.629 13.226 1.310 30 HB2 GLN 2 HB2 GLN 2 9.190 14.346 -1.035 31 HB3 GLN 2 HB1 GLN 2 9.649 14.720 0.626 32 HG2 GLN 2 HG2 GLN 2 10.009 12.381 1.117 33 HG3 GLN 2 HG1 GLN 2 9.399 11.906 -0.454 34 HE21 GLN 2 HE21 GLN 2 12.130 13.127 1.297 35 HE22 GLN 2 HE22 GLN 2 13.256 13.078 -0.010 36 H ILE 3 HN ILE 3 7.310 14.816 2.700 37 HA ILE 3 HA ILE 3 6.620 17.555 1.790 38 HB ILE 3 HB ILE 3 4.894 17.722 3.694 39 HG12 ILE 3 HG12 ILE 3 5.571 15.507 4.811 40 HG13 ILE 3 HG11 ILE 3 3.841 15.768 4.627 41 HG21 ILE 3 HG21 ILE 3 4.181 17.742 1.376 42 HG22 ILE 3 HG22 ILE 3 3.023 16.834 2.349 43 HG23 ILE 3 HG23 ILE 3 4.174 15.977 1.321 44 HD11 ILE 3 HD11 ILE 3 5.545 14.010 2.846 45 HD12 ILE 3 HD12 ILE 3 3.798 14.239 2.718 46 HD13 ILE 3 HD13 ILE 3 4.481 13.460 4.141 47 H PHE 4 HN PHE 4 6.936 19.184 3.423 48 HA PHE 4 HA PHE 4 9.204 18.524 5.214 49 HB2 PHE 4 HB2 PHE 4 8.449 21.162 3.849 50 HB3 PHE 4 HB1 PHE 4 9.798 20.963 4.966 51 HD1 PHE 4 HD2 PHE 4 8.500 19.961 1.608 52 HD2 PHE 4 HD1 PHE 4 11.893 20.069 4.211 53 HE1 PHE 4 HE2 PHE 4 9.962 19.314 -0.255 54 HE2 PHE 4 HE1 PHE 4 13.345 19.416 2.344 55 HZ PHE 4 HZ PHE 4 12.385 19.037 0.108 56 H VAL 5 HN VAL 5 8.395 18.232 7.210 57 HA VAL 5 HA VAL 5 6.478 20.181 8.345 58 HB VAL 5 HB VAL 5 7.304 17.374 9.258 59 HG11 VAL 5 HG11 VAL 5 7.080 18.767 11.255 60 HG12 VAL 5 HG12 VAL 5 5.732 17.638 11.153 61 HG13 VAL 5 HG13 VAL 5 5.497 19.336 10.721 62 HG21 VAL 5 HG21 VAL 5 4.588 18.492 8.442 63 HG22 VAL 5 HG22 VAL 5 4.924 16.829 8.922 64 HG23 VAL 5 HG23 VAL 5 5.625 17.476 7.441 65 H LYS 6 HN LYS 6 7.356 21.740 9.536 66 HA LYS 6 HA LYS 6 10.207 21.597 10.308 67 HB2 LYS 6 HB2 LYS 6 9.282 23.314 8.547 68 HB3 LYS 6 HB1 LYS 6 8.547 24.131 9.921 69 HG2 LYS 6 HG2 LYS 6 10.566 25.286 9.601 70 HG3 LYS 6 HG1 LYS 6 10.934 24.179 10.930 71 HD2 LYS 6 HD2 LYS 6 11.962 22.597 9.279 72 HD3 LYS 6 HD1 LYS 6 11.652 23.775 7.999 73 HE2 LYS 6 HE2 LYS 6 13.086 25.414 9.306 74 HE3 LYS 6 HE1 LYS 6 13.510 24.077 10.374 75 HZ1 LYS 6 HZ1 LYS 6 15.177 24.416 8.687 76 HZ2 LYS 6 HZ2 LYS 6 14.034 24.188 7.463 77 HZ3 LYS 6 HZ3 LYS 6 14.434 22.913 8.496 78 H THR 7 HN THR 7 10.531 21.425 12.525 79 HA THR 7 HA THR 7 8.433 21.907 14.426 80 HB THR 7 HB THR 7 10.264 21.594 16.158 81 HG1 THR 7 HG1 THR 7 12.296 20.899 15.340 82 HG21 THR 7 HG21 THR 7 8.967 19.670 15.425 83 HG22 THR 7 HG22 THR 7 10.651 19.201 15.668 84 HG23 THR 7 HG23 THR 7 10.029 19.451 14.039 85 H LEU 8 HN LEU 8 8.631 23.351 16.251 86 HA LEU 8 HA LEU 8 9.317 26.055 15.680 87 HB2 LEU 8 HB2 LEU 8 8.684 24.694 18.322 88 HB3 LEU 8 HB1 LEU 8 8.747 26.432 18.071 89 HG LEU 8 HG LEU 8 6.727 24.522 16.831 90 HD11 LEU 8 HD11 LEU 8 5.079 25.674 18.247 91 HD12 LEU 8 HD12 LEU 8 6.366 26.641 18.970 92 HD13 LEU 8 HD13 LEU 8 6.330 24.894 19.213 93 HD21 LEU 8 HD21 LEU 8 5.597 26.527 15.932 94 HD22 LEU 8 HD22 LEU 8 7.216 26.353 15.258 95 HD23 LEU 8 HD23 LEU 8 6.911 27.547 16.526 96 H THR 9 HN THR 9 11.148 23.357 16.940 97 HA THR 9 HA THR 9 13.312 24.946 18.038 98 HB THR 9 HB THR 9 14.554 22.721 18.075 99 HG1 THR 9 HG1 THR 9 13.197 20.858 17.664 100 HG21 THR 9 HG21 THR 9 13.272 23.471 20.054 101 HG22 THR 9 HG22 THR 9 13.183 21.719 19.875 102 HG23 THR 9 HG23 THR 9 11.811 22.723 19.403 103 H GLY 10 HN GLY 10 12.328 23.981 14.888 104 HA2 GLY 10 HA2 GLY 10 13.062 25.152 12.996 105 HA3 GLY 10 HA1 GLY 10 14.592 25.490 13.783 106 H LYS 11 HN LYS 11 13.502 22.213 13.925 107 HA LYS 11 HA LYS 11 15.491 21.401 11.909 108 HB2 LYS 11 HB2 LYS 11 15.617 19.320 12.941 109 HB3 LYS 11 HB1 LYS 11 15.203 20.326 14.319 110 HG2 LYS 11 HG2 LYS 11 12.860 19.635 14.149 111 HG3 LYS 11 HG1 LYS 11 13.241 18.686 12.710 112 HD2 LYS 11 HD2 LYS 11 14.652 18.105 15.329 113 HD3 LYS 11 HD1 LYS 11 13.014 17.515 15.067 114 HE2 LYS 11 HE2 LYS 11 14.591 15.768 14.498 115 HE3 LYS 11 HE1 LYS 11 13.785 16.315 13.031 116 HZ1 LYS 11 HZ1 LYS 11 16.512 17.079 13.912 117 HZ2 LYS 11 HZ2 LYS 11 15.752 17.622 12.508 118 HZ3 LYS 11 HZ3 LYS 11 16.132 15.987 12.681 119 H THR 12 HN THR 12 14.929 19.973 10.189 120 HA THR 12 HA THR 12 12.139 20.157 9.236 121 HB THR 12 HB THR 12 14.703 19.406 7.780 122 HG1 THR 12 HG1 THR 12 14.085 21.491 6.696 123 HG21 THR 12 HG21 THR 12 12.782 18.288 6.697 124 HG22 THR 12 HG22 THR 12 13.345 19.620 5.686 125 HG23 THR 12 HG23 THR 12 11.891 19.812 6.667 126 H ILE 13 HN ILE 13 10.922 18.403 9.105 127 HA ILE 13 HA ILE 13 12.010 15.654 9.377 128 HB ILE 13 HB ILE 13 9.246 16.653 10.259 129 HG12 ILE 13 HG12 ILE 13 10.255 15.783 12.597 130 HG13 ILE 13 HG11 ILE 13 11.785 16.167 11.832 131 HG21 ILE 13 HG21 ILE 13 8.926 14.397 11.202 132 HG22 ILE 13 HG22 ILE 13 10.491 13.904 10.553 133 HG23 ILE 13 HG23 ILE 13 9.183 14.347 9.458 134 HD11 ILE 13 HD11 ILE 13 9.506 18.087 12.250 135 HD12 ILE 13 HD12 ILE 13 11.071 18.467 11.519 136 HD13 ILE 13 HD13 ILE 13 10.979 17.979 13.211 137 H THR 14 HN THR 14 11.978 14.861 7.282 138 HA THR 14 HA THR 14 9.758 15.570 5.485 139 HB THR 14 HB THR 14 12.282 13.971 4.889 140 HG1 THR 14 HG1 THR 14 11.666 16.697 4.835 141 HG21 THR 14 HG21 THR 14 10.105 15.034 3.031 142 HG22 THR 14 HG22 THR 14 10.461 13.336 3.357 143 HG23 THR 14 HG23 THR 14 11.630 14.333 2.493 144 H LEU 15 HN LEU 15 8.137 14.192 5.010 145 HA LEU 15 HA LEU 15 8.171 11.459 6.187 146 HB2 LEU 15 HB2 LEU 15 5.662 13.081 5.574 147 HB3 LEU 15 HB1 LEU 15 5.766 11.562 6.440 148 HG LEU 15 HG LEU 15 5.336 13.185 8.099 149 HD11 LEU 15 HD11 LEU 15 7.118 11.614 8.735 150 HD12 LEU 15 HD12 LEU 15 7.259 13.160 9.556 151 HD13 LEU 15 HD13 LEU 15 8.337 12.779 8.211 152 HD21 LEU 15 HD21 LEU 15 6.576 15.272 8.396 153 HD22 LEU 15 HD22 LEU 15 5.798 15.209 6.819 154 HD23 LEU 15 HD23 LEU 15 7.536 14.931 6.954 155 H GLU 16 HN GLU 16 7.047 9.840 5.032 156 HA GLU 16 HA GLU 16 7.103 10.197 2.088 157 HB2 GLU 16 HB2 GLU 16 7.444 7.578 3.619 158 HB3 GLU 16 HB1 GLU 16 7.757 7.867 1.909 159 HG2 GLU 16 HG2 GLU 16 9.335 8.976 4.245 160 HG3 GLU 16 HG1 GLU 16 9.845 7.669 3.177 161 H VAL 17 HN VAL 17 4.870 11.057 2.460 162 HA VAL 17 HA VAL 17 2.858 8.902 2.309 163 HB VAL 17 HB VAL 17 1.236 9.997 3.755 164 HG11 VAL 17 HG11 VAL 17 3.847 9.741 5.269 165 HG12 VAL 17 HG12 VAL 17 2.720 8.434 4.900 166 HG13 VAL 17 HG13 VAL 17 2.230 9.741 5.977 167 HG21 VAL 17 HG21 VAL 17 1.825 12.341 3.353 168 HG22 VAL 17 HG22 VAL 17 3.295 12.155 4.312 169 HG23 VAL 17 HG23 VAL 17 1.718 12.012 5.082 170 H GLU 18 HN GLU 18 0.649 10.022 1.762 171 HA GLU 18 HA GLU 18 1.204 11.529 -0.724 172 HB2 GLU 18 HB2 GLU 18 -1.338 9.964 -0.130 173 HB3 GLU 18 HB1 GLU 18 -0.611 10.342 -1.691 174 HG2 GLU 18 HG2 GLU 18 1.319 8.814 -1.020 175 HG3 GLU 18 HG1 GLU 18 0.323 8.343 0.358 176 HA PRO 19 HA PRO 19 -1.454 14.982 0.631 177 HB2 PRO 19 HB2 PRO 19 -3.055 15.385 -1.617 178 HB3 PRO 19 HB1 PRO 19 -1.403 15.996 -1.457 179 HG2 PRO 19 HG2 PRO 19 -2.353 13.462 -2.803 180 HG3 PRO 19 HG1 PRO 19 -1.209 14.685 -3.405 181 HD2 PRO 19 HD2 PRO 19 -0.294 12.404 -2.356 182 HD3 PRO 19 HD1 PRO 19 0.526 13.939 -1.976 183 H SER 20 HN SER 20 -2.922 12.131 -0.880 184 HA SER 20 HA SER 20 -5.532 12.606 0.398 185 HB2 SER 20 HB2 SER 20 -6.243 10.760 -1.189 186 HB3 SER 20 HB1 SER 20 -5.597 12.185 -1.997 187 HG SER 20 HG SER 20 -4.565 9.619 -1.813 188 H ASP 21 HN ASP 21 -2.863 11.463 1.587 189 HA ASP 21 HA ASP 21 -3.443 8.780 2.392 190 HB2 ASP 21 HB2 ASP 21 -1.143 9.569 2.164 191 HB3 ASP 21 HB1 ASP 21 -1.413 10.841 3.343 192 H THR 22 HN THR 22 -2.632 10.896 5.051 193 HA THR 22 HA THR 22 -5.032 11.903 5.947 194 HB THR 22 HB THR 22 -5.900 9.611 6.272 195 HG1 THR 22 HG1 THR 22 -6.525 11.220 7.786 196 HG21 THR 22 HG21 THR 22 -3.785 8.390 6.663 197 HG22 THR 22 HG22 THR 22 -4.973 8.057 7.923 198 HG23 THR 22 HG23 THR 22 -3.637 9.164 8.247 199 H ILE 23 HN ILE 23 -4.744 13.101 7.818 200 HA ILE 23 HA ILE 23 -2.141 13.957 8.400 201 HB ILE 23 HB ILE 23 -4.712 14.434 9.970 202 HG12 ILE 23 HG12 ILE 23 -4.819 15.260 7.617 203 HG13 ILE 23 HG11 ILE 23 -4.873 16.588 8.771 204 HG21 ILE 23 HG21 ILE 23 -3.600 16.420 10.968 205 HG22 ILE 23 HG22 ILE 23 -2.084 15.953 10.196 206 HG23 ILE 23 HG23 ILE 23 -2.805 14.915 11.424 207 HD11 ILE 23 HD11 ILE 23 -2.520 17.082 8.315 208 HD12 ILE 23 HD12 ILE 23 -3.491 17.120 6.844 209 HD13 ILE 23 HD13 ILE 23 -2.456 15.732 7.178 210 H GLU 24 HN GLU 24 -4.329 11.771 10.186 211 HA GLU 24 HA GLU 24 -2.891 11.465 12.580 212 HB2 GLU 24 HB2 GLU 24 -5.186 10.594 12.249 213 HB3 GLU 24 HB1 GLU 24 -4.575 9.370 11.139 214 HG2 GLU 24 HG2 GLU 24 -3.239 8.382 13.004 215 HG3 GLU 24 HG1 GLU 24 -3.925 9.582 14.098 216 H ASN 25 HN ASN 25 -2.425 9.943 9.449 217 HA ASN 25 HA ASN 25 -0.463 8.021 10.328 218 HB2 ASN 25 HB2 ASN 25 -1.938 7.793 8.292 219 HB3 ASN 25 HB1 ASN 25 -0.977 9.019 7.503 220 HD21 ASN 25 HD21 ASN 25 1.002 8.480 6.678 221 HD22 ASN 25 HD22 ASN 25 1.632 6.871 6.655 222 H VAL 26 HN VAL 26 -0.441 11.163 8.736 223 HA VAL 26 HA VAL 26 2.271 11.461 8.132 224 HB VAL 26 HB VAL 26 0.379 13.711 9.006 225 HG11 VAL 26 HG11 VAL 26 2.940 13.890 7.356 226 HG12 VAL 26 HG12 VAL 26 2.729 14.465 9.008 227 HG13 VAL 26 HG13 VAL 26 1.842 15.233 7.693 228 HG21 VAL 26 HG21 VAL 26 0.912 12.653 6.209 229 HG22 VAL 26 HG22 VAL 26 -0.092 14.048 6.606 230 HG23 VAL 26 HG23 VAL 26 -0.571 12.438 7.134 231 H LYS 27 HN LYS 27 0.527 12.320 11.136 232 HA LYS 27 HA LYS 27 2.795 13.395 12.498 233 HB2 LYS 27 HB2 LYS 27 1.377 13.435 14.491 234 HB3 LYS 27 HB1 LYS 27 0.527 14.065 13.088 235 HG2 LYS 27 HG2 LYS 27 -0.639 11.861 12.871 236 HG3 LYS 27 HG1 LYS 27 0.137 11.351 14.372 237 HD2 LYS 27 HD2 LYS 27 -2.139 12.129 14.812 238 HD3 LYS 27 HD1 LYS 27 -0.967 13.201 15.580 239 HE2 LYS 27 HE2 LYS 27 -1.218 14.749 13.588 240 HE3 LYS 27 HE1 LYS 27 -2.528 13.710 13.029 241 HZ1 LYS 27 HZ1 LYS 27 -3.384 15.589 14.261 242 HZ2 LYS 27 HZ2 LYS 27 -2.460 15.169 15.613 243 HZ3 LYS 27 HZ3 LYS 27 -3.705 14.153 15.095 244 H ALA 28 HN ALA 28 1.312 10.166 12.402 245 HA ALA 28 HA ALA 28 3.020 8.882 14.266 246 HB1 ALA 28 HB1 ALA 28 0.969 7.829 13.383 247 HB2 ALA 28 HB2 ALA 28 2.372 6.789 13.134 248 HB3 ALA 28 HB3 ALA 28 1.706 7.711 11.784 249 H LYS 29 HN LYS 29 3.504 9.869 10.913 250 HA LYS 29 HA LYS 29 5.958 8.419 10.535 251 HB2 LYS 29 HB2 LYS 29 4.901 10.774 8.925 252 HB3 LYS 29 HB1 LYS 29 6.251 9.750 8.468 253 HG2 LYS 29 HG2 LYS 29 3.319 9.036 8.548 254 HG3 LYS 29 HG1 LYS 29 4.370 9.150 7.147 255 HD2 LYS 29 HD2 LYS 29 4.459 6.871 7.318 256 HD3 LYS 29 HD1 LYS 29 5.671 7.183 8.559 257 HE2 LYS 29 HE2 LYS 29 3.811 7.119 10.267 258 HE3 LYS 29 HE1 LYS 29 2.717 6.622 8.976 259 HZ1 LYS 29 HZ1 LYS 29 5.171 5.140 9.732 260 HZ2 LYS 29 HZ2 LYS 29 3.974 4.635 8.647 261 HZ3 LYS 29 HZ3 LYS 29 3.625 4.763 10.297 262 H ILE 30 HN ILE 30 5.168 11.817 11.540 263 HA ILE 30 HA ILE 30 7.796 12.783 11.753 264 HB ILE 30 HB ILE 30 5.286 13.464 13.340 265 HG12 ILE 30 HG12 ILE 30 5.918 15.836 12.322 266 HG13 ILE 30 HG11 ILE 30 6.950 14.908 11.245 267 HG21 ILE 30 HG21 ILE 30 8.011 14.689 13.886 268 HG22 ILE 30 HG22 ILE 30 7.065 13.695 14.995 269 HG23 ILE 30 HG23 ILE 30 6.476 15.288 14.524 270 HD11 ILE 30 HD11 ILE 30 3.970 14.634 11.512 271 HD12 ILE 30 HD12 ILE 30 5.004 13.730 10.400 272 HD13 ILE 30 HD13 ILE 30 4.839 15.478 10.232 273 H GLN 31 HN GLN 31 5.867 10.903 14.040 274 HA GLN 31 HA GLN 31 7.732 10.573 16.117 275 HB2 GLN 31 HB2 GLN 31 5.325 10.072 16.335 276 HB3 GLN 31 HB1 GLN 31 5.474 8.751 15.183 277 HG2 GLN 31 HG2 GLN 31 6.943 7.546 16.771 278 HG3 GLN 31 HG1 GLN 31 6.777 8.869 17.920 279 HE21 GLN 31 HE21 GLN 31 4.091 7.653 15.946 280 HE22 GLN 31 HE22 GLN 31 3.178 7.035 17.277 281 H ASP 32 HN ASP 32 7.317 8.861 13.066 282 HA ASP 32 HA ASP 32 9.174 6.738 13.553 283 HB2 ASP 32 HB2 ASP 32 7.465 6.476 11.848 284 HB3 ASP 32 HB1 ASP 32 8.017 7.905 10.990 285 H LYS 33 HN LYS 33 9.574 10.090 12.498 286 HA LYS 33 HA LYS 33 12.274 9.553 11.415 287 HB2 LYS 33 HB2 LYS 33 10.804 12.215 11.468 288 HB3 LYS 33 HB1 LYS 33 12.239 11.825 10.530 289 HG2 LYS 33 HG2 LYS 33 9.494 10.631 10.113 290 HG3 LYS 33 HG1 LYS 33 10.172 11.955 9.175 291 HD2 LYS 33 HD2 LYS 33 11.872 10.502 8.235 292 HD3 LYS 33 HD1 LYS 33 11.389 9.168 9.300 293 HE2 LYS 33 HE2 LYS 33 9.155 9.130 8.204 294 HE3 LYS 33 HE1 LYS 33 9.673 10.429 7.127 295 HZ1 LYS 33 HZ1 LYS 33 10.888 7.729 7.290 296 HZ2 LYS 33 HZ2 LYS 33 11.360 8.962 6.236 297 HZ3 LYS 33 HZ3 LYS 33 9.832 8.257 6.081 298 H GLU 34 HN GLU 34 10.937 12.207 13.501 299 HA GLU 34 HA GLU 34 13.562 12.612 14.674 300 HB2 GLU 34 HB2 GLU 34 12.587 14.516 15.883 301 HB3 GLU 34 HB1 GLU 34 12.258 14.607 14.161 302 HG2 GLU 34 HG2 GLU 34 9.947 13.983 14.494 303 HG3 GLU 34 HG1 GLU 34 10.242 13.612 16.193 304 H GLY 35 HN GLY 35 10.579 11.045 15.590 305 HA2 GLY 35 HA2 GLY 35 10.557 9.222 17.091 306 HA3 GLY 35 HA1 GLY 35 11.966 9.870 17.914 307 H ILE 36 HN ILE 36 9.348 12.043 17.228 308 HA ILE 36 HA ILE 36 8.687 12.125 20.114 309 HB ILE 36 HB ILE 36 8.555 14.294 17.967 310 HG12 ILE 36 HG12 ILE 36 9.763 15.637 19.815 311 HG13 ILE 36 HG11 ILE 36 9.899 14.135 20.717 312 HG21 ILE 36 HG21 ILE 36 6.391 14.407 19.110 313 HG22 ILE 36 HG22 ILE 36 7.386 15.781 19.593 314 HG23 ILE 36 HG23 ILE 36 7.190 14.406 20.685 315 HD11 ILE 36 HD11 ILE 36 11.265 13.204 18.886 316 HD12 ILE 36 HD12 ILE 36 11.960 14.653 19.611 317 HD13 ILE 36 HD13 ILE 36 11.149 14.755 18.050 318 HA PRO 37 HA PRO 37 4.903 10.059 18.865 319 HB2 PRO 37 HB2 PRO 37 3.581 10.044 21.248 320 HB3 PRO 37 HB1 PRO 37 5.034 9.067 20.985 321 HG2 PRO 37 HG2 PRO 37 4.798 11.775 22.304 322 HG3 PRO 37 HG1 PRO 37 5.646 10.323 22.886 323 HD2 PRO 37 HD2 PRO 37 6.958 12.340 21.625 324 HD3 PRO 37 HD1 PRO 37 7.461 10.650 21.438 325 HA PRO 38 HA PRO 38 1.900 13.117 17.603 326 HB2 PRO 38 HB2 PRO 38 -0.519 11.735 17.955 327 HB3 PRO 38 HB1 PRO 38 0.562 11.558 16.567 328 HG2 PRO 38 HG2 PRO 38 0.382 9.861 19.049 329 HG3 PRO 38 HG1 PRO 38 0.531 9.354 17.350 330 HD2 PRO 38 HD2 PRO 38 2.672 9.341 18.948 331 HD3 PRO 38 HD1 PRO 38 2.826 9.892 17.264 332 H ASP 39 HN ASP 39 1.704 11.850 20.848 333 HA ASP 39 HA ASP 39 -0.217 13.747 21.855 334 HB2 ASP 39 HB2 ASP 39 0.278 11.682 23.095 335 HB3 ASP 39 HB1 ASP 39 1.961 12.164 23.296 336 H GLN 40 HN GLN 40 3.325 13.653 21.637 337 HA GLN 40 HA GLN 40 3.677 16.139 23.121 338 HB2 GLN 40 HB2 GLN 40 5.396 13.860 22.288 339 HB3 GLN 40 HB1 GLN 40 6.212 15.404 22.207 340 HG2 GLN 40 HG2 GLN 40 6.516 14.101 24.347 341 HG3 GLN 40 HG1 GLN 40 6.004 15.772 24.531 342 HE21 GLN 40 HE21 GLN 40 4.923 12.432 24.695 343 HE22 GLN 40 HE22 GLN 40 3.551 12.737 25.701 344 H GLN 41 HN GLN 41 3.511 15.188 19.808 345 HA GLN 41 HA GLN 41 4.452 17.863 18.924 346 HB2 GLN 41 HB2 GLN 41 4.755 16.835 16.688 347 HB3 GLN 41 HB1 GLN 41 5.724 16.069 17.929 348 HG2 GLN 41 HG2 GLN 41 5.021 14.194 16.833 349 HG3 GLN 41 HG1 GLN 41 3.699 14.339 17.975 350 HE21 GLN 41 HE21 GLN 41 4.658 14.909 14.675 351 HE22 GLN 41 HE22 GLN 41 3.082 14.925 13.999 352 H ARG 42 HN ARG 42 3.173 19.048 17.391 353 HA ARG 42 HA ARG 42 0.389 18.172 16.959 354 HB2 ARG 42 HB2 ARG 42 0.764 19.789 18.988 355 HB3 ARG 42 HB1 ARG 42 1.029 21.036 17.773 356 HG2 ARG 42 HG2 ARG 42 -1.231 20.739 16.907 357 HG3 ARG 42 HG1 ARG 42 -1.489 19.351 17.973 358 HD2 ARG 42 HD2 ARG 42 -1.015 20.954 19.911 359 HD3 ARG 42 HD1 ARG 42 -1.201 22.260 18.735 360 HE ARG 42 HE ARG 42 -3.445 20.685 18.447 361 HH11 ARG 42 HH11 ARG 42 -2.039 22.548 21.082 362 HH12 ARG 42 HH12 ARG 42 -3.565 22.817 21.863 363 HH21 ARG 42 HH21 ARG 42 -5.421 21.027 19.482 364 HH22 ARG 42 HH22 ARG 42 -5.489 21.947 20.946 365 H LEU 43 HN LEU 43 -0.476 18.810 15.016 366 HA LEU 43 HA LEU 43 1.423 19.844 13.011 367 HB2 LEU 43 HB2 LEU 43 -1.019 18.055 12.874 368 HB3 LEU 43 HB1 LEU 43 -0.512 18.915 11.433 369 HG LEU 43 HG LEU 43 0.353 16.639 11.391 370 HD11 LEU 43 HD11 LEU 43 1.684 18.431 10.358 371 HD12 LEU 43 HD12 LEU 43 2.707 17.122 10.951 372 HD13 LEU 43 HD13 LEU 43 2.594 18.635 11.858 373 HD21 LEU 43 HD21 LEU 43 0.429 16.197 13.802 374 HD22 LEU 43 HD22 LEU 43 1.795 17.302 13.980 375 HD23 LEU 43 HD23 LEU 43 1.971 15.819 13.040 376 H ILE 44 HN ILE 44 1.184 21.841 12.217 377 HA ILE 44 HA ILE 44 -1.475 23.062 11.935 378 HB ILE 44 HB ILE 44 0.866 24.418 13.373 379 HG12 ILE 44 HG12 ILE 44 -1.975 23.873 14.383 380 HG13 ILE 44 HG11 ILE 44 -0.600 22.840 14.729 381 HG21 ILE 44 HG21 ILE 44 -0.578 26.445 13.568 382 HG22 ILE 44 HG22 ILE 44 -1.785 25.677 12.533 383 HG23 ILE 44 HG23 ILE 44 -0.192 26.073 11.887 384 HD11 ILE 44 HD11 ILE 44 -0.880 25.703 15.564 385 HD12 ILE 44 HD12 ILE 44 0.462 24.616 15.946 386 HD13 ILE 44 HD13 ILE 44 -1.151 24.279 16.570 387 H PHE 45 HN PHE 45 -1.658 23.846 9.925 388 HA PHE 45 HA PHE 45 0.722 24.784 8.403 389 HB2 PHE 45 HB2 PHE 45 -0.050 22.617 7.511 390 HB3 PHE 45 HB1 PHE 45 -1.700 23.202 7.417 391 HD1 PHE 45 HD2 PHE 45 1.669 23.458 5.880 392 HD2 PHE 45 HD1 PHE 45 -2.455 24.510 5.490 393 HE1 PHE 45 HE2 PHE 45 2.056 24.073 3.543 394 HE2 PHE 45 HE1 PHE 45 -2.055 25.128 3.147 395 HZ PHE 45 HZ PHE 45 0.194 24.909 2.170 396 H ALA 46 HN ALA 46 0.519 26.894 7.912 397 HA ALA 46 HA ALA 46 -0.280 28.940 7.398 398 HB1 ALA 46 HB1 ALA 46 -1.194 27.754 5.436 399 HB2 ALA 46 HB2 ALA 46 -2.237 29.095 5.906 400 HB3 ALA 46 HB3 ALA 46 -2.691 27.437 6.311 401 H GLY 47 HN GLY 47 -0.958 27.770 10.070 402 HA2 GLY 47 HA2 GLY 47 -1.647 29.064 11.911 403 HA3 GLY 47 HA1 GLY 47 -2.792 29.925 10.899 404 H LYS 48 HN LYS 48 -3.523 26.984 9.925 405 HA LYS 48 HA LYS 48 -5.590 26.550 12.010 406 HB2 LYS 48 HB2 LYS 48 -6.869 25.378 10.336 407 HB3 LYS 48 HB1 LYS 48 -6.294 26.871 9.610 408 HG2 LYS 48 HG2 LYS 48 -4.297 25.156 8.835 409 HG3 LYS 48 HG1 LYS 48 -5.651 24.039 8.915 410 HD2 LYS 48 HD2 LYS 48 -5.416 24.887 6.656 411 HD3 LYS 48 HD1 LYS 48 -6.922 25.498 7.353 412 HE2 LYS 48 HE2 LYS 48 -5.782 27.655 7.844 413 HE3 LYS 48 HE1 LYS 48 -4.314 27.034 7.082 414 HZ1 LYS 48 HZ1 LYS 48 -5.587 28.403 5.572 415 HZ2 LYS 48 HZ2 LYS 48 -6.938 27.408 5.759 416 HZ3 LYS 48 HZ3 LYS 48 -5.547 26.805 5.018 417 H GLN 49 HN GLN 49 -5.788 24.582 13.054 418 HA GLN 49 HA GLN 49 -3.407 22.919 13.131 419 HB2 GLN 49 HB2 GLN 49 -4.730 23.748 15.187 420 HB3 GLN 49 HB1 GLN 49 -5.947 22.543 14.786 421 HG2 GLN 49 HG2 GLN 49 -3.032 21.841 15.286 422 HG3 GLN 49 HG1 GLN 49 -4.236 21.889 16.567 423 HE21 GLN 49 HE21 GLN 49 -2.610 19.718 15.173 424 HE22 GLN 49 HE22 GLN 49 -3.779 18.490 14.850 425 H LEU 50 HN LEU 50 -3.222 20.883 12.320 426 HA LEU 50 HA LEU 50 -5.136 20.071 10.316 427 HB2 LEU 50 HB2 LEU 50 -2.548 18.695 11.083 428 HB3 LEU 50 HB1 LEU 50 -3.460 18.509 9.595 429 HG LEU 50 HG LEU 50 -1.787 20.893 10.463 430 HD11 LEU 50 HD11 LEU 50 -0.543 19.079 9.473 431 HD12 LEU 50 HD12 LEU 50 -0.563 20.474 8.397 432 HD13 LEU 50 HD13 LEU 50 -1.599 19.085 8.057 433 HD21 LEU 50 HD21 LEU 50 -2.495 22.079 8.432 434 HD22 LEU 50 HD22 LEU 50 -3.861 21.810 9.504 435 HD23 LEU 50 HD23 LEU 50 -3.655 20.804 8.069 436 H GLU 51 HN GLU 51 -6.739 18.718 10.717 437 HA GLU 51 HA GLU 51 -7.021 17.279 13.217 438 HB2 GLU 51 HB2 GLU 51 -8.870 18.615 12.371 439 HB3 GLU 51 HB1 GLU 51 -8.836 17.781 10.824 440 HG2 GLU 51 HG2 GLU 51 -9.621 15.713 11.910 441 HG3 GLU 51 HG1 GLU 51 -9.646 16.531 13.472 442 H ASP 52 HN ASP 52 -7.175 15.050 13.434 443 HA ASP 52 HA ASP 52 -5.424 13.465 11.948 444 HB2 ASP 52 HB2 ASP 52 -7.650 12.643 13.857 445 HB3 ASP 52 HB1 ASP 52 -6.425 11.527 13.250 446 H GLY 53 HN GLY 53 -8.971 13.495 11.921 447 HA2 GLY 53 HA2 GLY 53 -9.374 11.263 10.206 448 HA3 GLY 53 HA1 GLY 53 -10.572 12.462 10.657 449 H ARG 54 HN ARG 54 -8.655 14.565 9.553 450 HA ARG 54 HA ARG 54 -9.548 14.536 6.787 451 HB2 ARG 54 HB2 ARG 54 -7.898 16.535 8.383 452 HB3 ARG 54 HB1 ARG 54 -8.458 16.804 6.729 453 HG2 ARG 54 HG2 ARG 54 -10.810 16.628 7.536 454 HG3 ARG 54 HG1 ARG 54 -10.216 16.416 9.180 455 HD2 ARG 54 HD2 ARG 54 -9.165 18.602 9.107 456 HD3 ARG 54 HD1 ARG 54 -9.689 18.856 7.442 457 HE ARG 54 HE ARG 54 -11.669 18.441 9.596 458 HH11 ARG 54 HH11 ARG 54 -10.335 20.517 7.080 459 HH12 ARG 54 HH12 ARG 54 -11.582 21.714 7.251 460 HH21 ARG 54 HH21 ARG 54 -13.262 20.036 9.802 461 HH22 ARG 54 HH22 ARG 54 -13.213 21.456 8.806 462 H THR 55 HN THR 55 -7.800 15.456 5.216 463 HA THR 55 HA THR 55 -5.330 13.802 5.362 464 HB THR 55 HB THR 55 -5.364 13.820 2.855 465 HG1 THR 55 HG1 THR 55 -7.987 14.506 2.566 466 HG21 THR 55 HG21 THR 55 -7.924 12.690 4.044 467 HG22 THR 55 HG22 THR 55 -6.355 11.879 4.018 468 HG23 THR 55 HG23 THR 55 -7.203 12.216 2.506 469 H LEU 56 HN LEU 56 -3.562 14.756 3.996 470 HA LEU 56 HA LEU 56 -2.880 17.415 4.607 471 HB2 LEU 56 HB2 LEU 56 -1.931 15.611 2.332 472 HB3 LEU 56 HB1 LEU 56 -1.201 17.165 2.689 473 HG LEU 56 HG LEU 56 -1.215 14.771 4.583 474 HD11 LEU 56 HD11 LEU 56 1.183 14.565 4.068 475 HD12 LEU 56 HD12 LEU 56 1.069 15.884 2.899 476 HD13 LEU 56 HD13 LEU 56 0.215 14.367 2.608 477 HD21 LEU 56 HD21 LEU 56 -1.156 16.908 5.806 478 HD22 LEU 56 HD22 LEU 56 0.207 17.458 4.832 479 HD23 LEU 56 HD23 LEU 56 0.397 16.084 5.928 480 H SER 57 HN SER 57 -4.341 15.974 1.722 481 HA SER 57 HA SER 57 -4.400 18.203 0.007 482 HB2 SER 57 HB2 SER 57 -4.620 15.888 -0.815 483 HB3 SER 57 HB1 SER 57 -6.149 15.694 0.037 484 HG SER 57 HG SER 57 -6.129 17.877 -1.616 485 H ASP 58 HN ASP 58 -6.536 17.162 2.612 486 HA ASP 58 HA ASP 58 -8.904 18.590 1.970 487 HB2 ASP 58 HB2 ASP 58 -8.864 16.879 3.745 488 HB3 ASP 58 HB1 ASP 58 -7.712 17.819 4.682 489 H TYR 59 HN TYR 59 -5.988 19.433 3.771 490 HA TYR 59 HA TYR 59 -6.886 22.140 4.334 491 HB2 TYR 59 HB2 TYR 59 -4.500 20.465 5.170 492 HB3 TYR 59 HB1 TYR 59 -4.555 22.186 5.498 493 HD1 TYR 59 HD1 TYR 59 -6.685 23.047 6.742 494 HD2 TYR 59 HD2 TYR 59 -5.436 18.960 6.757 495 HE1 TYR 59 HE1 TYR 59 -7.934 22.684 8.805 496 HE2 TYR 59 HE2 TYR 59 -6.695 18.599 8.835 497 HH TYR 59 HH TYR 59 -7.451 20.307 10.843 498 H ASN 60 HN ASN 60 -6.013 20.984 1.557 499 HA ASN 60 HA ASN 60 -5.174 21.724 -0.386 500 HB2 ASN 60 HB2 ASN 60 -4.545 24.304 1.117 501 HB3 ASN 60 HB1 ASN 60 -4.357 24.108 -0.623 502 HD21 ASN 60 HD21 ASN 60 -6.689 24.145 2.009 503 HD22 ASN 60 HD22 ASN 60 -8.062 24.550 1.035 504 H ILE 61 HN ILE 61 -3.408 20.690 2.017 505 HA ILE 61 HA ILE 61 -0.721 21.481 1.307 506 HB ILE 61 HB ILE 61 -1.525 19.060 2.972 507 HG12 ILE 61 HG12 ILE 61 -0.948 21.796 4.171 508 HG13 ILE 61 HG11 ILE 61 -2.578 21.298 3.737 509 HG21 ILE 61 HG21 ILE 61 0.681 19.357 4.075 510 HG22 ILE 61 HG22 ILE 61 1.030 20.723 3.011 511 HG23 ILE 61 HG23 ILE 61 0.853 19.102 2.336 512 HD11 ILE 61 HD11 ILE 61 -2.521 19.490 5.297 513 HD12 ILE 61 HD12 ILE 61 -2.049 20.984 6.112 514 HD13 ILE 61 HD13 ILE 61 -0.818 19.801 5.667 515 H GLN 62 HN GLN 62 0.490 20.546 -0.216 516 HA GLN 62 HA GLN 62 -0.164 17.841 -1.257 517 HB2 GLN 62 HB2 GLN 62 0.648 18.582 -3.465 518 HB3 GLN 62 HB1 GLN 62 -0.708 19.574 -2.956 519 HG2 GLN 62 HG2 GLN 62 0.654 21.465 -2.538 520 HG3 GLN 62 HG1 GLN 62 2.131 20.507 -2.480 521 HE21 GLN 62 HE21 GLN 62 3.132 19.907 -4.406 522 HE22 GLN 62 HE22 GLN 62 2.729 20.629 -5.922 523 H LYS 63 HN LYS 63 1.958 17.133 -2.556 524 HA LYS 63 HA LYS 63 4.096 16.765 -0.797 525 HB2 LYS 63 HB2 LYS 63 5.350 15.914 -2.725 526 HB3 LYS 63 HB1 LYS 63 3.703 15.296 -2.724 527 HG2 LYS 63 HG2 LYS 63 3.076 16.952 -4.453 528 HG3 LYS 63 HG1 LYS 63 4.734 17.558 -4.472 529 HD2 LYS 63 HD2 LYS 63 3.876 14.730 -5.200 530 HD3 LYS 63 HD1 LYS 63 4.281 16.004 -6.352 531 HE2 LYS 63 HE2 LYS 63 6.588 16.069 -5.467 532 HE3 LYS 63 HE1 LYS 63 6.190 14.780 -4.324 533 HZ1 LYS 63 HZ1 LYS 63 5.737 13.321 -6.172 534 HZ2 LYS 63 HZ2 LYS 63 7.295 13.952 -6.314 535 HZ3 LYS 63 HZ3 LYS 63 6.047 14.558 -7.276 536 H GLU 64 HN GLU 64 6.072 17.726 -0.577 537 HA GLU 64 HA GLU 64 7.678 19.260 -0.479 538 HB2 GLU 64 HB2 GLU 64 6.639 20.254 -3.164 539 HB3 GLU 64 HB1 GLU 64 8.203 20.654 -2.460 540 HG2 GLU 64 HG2 GLU 64 7.306 17.885 -3.354 541 HG3 GLU 64 HG1 GLU 64 8.409 18.952 -4.228 542 H SER 65 HN SER 65 4.589 19.943 0.162 543 HA SER 65 HA SER 65 4.833 22.832 0.520 544 HB2 SER 65 HB2 SER 65 2.750 20.884 1.613 545 HB3 SER 65 HB1 SER 65 2.643 22.646 1.672 546 HG SER 65 HG SER 65 3.042 21.439 -0.815 547 H THR 66 HN THR 66 5.429 23.865 2.416 548 HA THR 66 HA THR 66 6.486 22.208 4.606 549 HB THR 66 HB THR 66 6.950 25.173 4.075 550 HG1 THR 66 HG1 THR 66 7.965 23.084 2.843 551 HG21 THR 66 HG21 THR 66 8.768 24.969 5.744 552 HG22 THR 66 HG22 THR 66 8.318 23.289 6.047 553 HG23 THR 66 HG23 THR 66 7.208 24.593 6.482 554 H LEU 67 HN LEU 67 5.476 22.067 6.426 555 HA LEU 67 HA LEU 67 3.521 24.080 7.346 556 HB2 LEU 67 HB2 LEU 67 2.329 22.161 8.506 557 HB3 LEU 67 HB1 LEU 67 2.134 22.238 6.774 558 HG LEU 67 HG LEU 67 4.140 20.337 8.036 559 HD11 LEU 67 HD11 LEU 67 2.463 18.562 7.970 560 HD12 LEU 67 HD12 LEU 67 1.233 19.705 7.425 561 HD13 LEU 67 HD13 LEU 67 1.929 19.862 9.038 562 HD21 LEU 67 HD21 LEU 67 4.379 20.704 5.602 563 HD22 LEU 67 HD22 LEU 67 2.694 20.240 5.356 564 HD23 LEU 67 HD23 LEU 67 3.862 19.056 5.951 565 H HIS 68 HN HIS 68 3.161 23.614 9.815 566 HA HIS 68 HA HIS 68 5.859 23.655 11.046 567 HB2 HIS 68 HB2 HIS 68 3.326 25.150 11.883 568 HB3 HIS 68 HB1 HIS 68 4.851 25.165 12.776 569 HD1 HIS 68 HD1 HIS 68 6.588 26.837 12.033 570 HD2 HIS 68 HD2 HIS 68 3.535 26.405 9.246 571 HE1 HIS 68 HE1 HIS 68 6.994 28.616 10.311 572 HE2 HIS 68 HE2 HIS 68 5.207 28.243 8.573 573 H LEU 69 HN LEU 69 6.071 22.930 13.181 574 HA LEU 69 HA LEU 69 4.186 20.859 14.111 575 HB2 LEU 69 HB2 LEU 69 6.171 20.006 12.686 576 HB3 LEU 69 HB1 LEU 69 7.219 20.520 13.980 577 HG LEU 69 HG LEU 69 6.749 18.053 13.928 578 HD11 LEU 69 HD11 LEU 69 6.449 17.729 16.296 579 HD12 LEU 69 HD12 LEU 69 5.774 19.350 16.476 580 HD13 LEU 69 HD13 LEU 69 7.464 19.141 16.018 581 HD21 LEU 69 HD21 LEU 69 3.915 18.816 14.701 582 HD22 LEU 69 HD22 LEU 69 4.577 17.181 14.652 583 HD23 LEU 69 HD23 LEU 69 4.422 18.107 13.162 584 H VAL 70 HN VAL 70 3.781 21.160 16.197 585 HA VAL 70 HA VAL 70 5.466 22.965 17.802 586 HB VAL 70 HB VAL 70 2.556 22.154 18.213 587 HG11 VAL 70 HG11 VAL 70 2.544 23.881 20.011 588 HG12 VAL 70 HG12 VAL 70 4.279 24.104 19.802 589 HG13 VAL 70 HG13 VAL 70 3.651 22.557 20.371 590 HG21 VAL 70 HG21 VAL 70 3.756 24.792 17.254 591 HG22 VAL 70 HG22 VAL 70 2.047 24.501 17.574 592 HG23 VAL 70 HG23 VAL 70 2.851 23.638 16.267 593 H LEU 71 HN LEU 71 6.774 21.986 19.086 594 HA LEU 71 HA LEU 71 6.431 19.282 20.072 595 HB2 LEU 71 HB2 LEU 71 8.626 21.375 20.329 596 HB3 LEU 71 HB1 LEU 71 8.703 19.787 21.063 597 HG LEU 71 HG LEU 71 8.532 20.299 18.074 598 HD11 LEU 71 HD11 LEU 71 10.856 19.495 17.986 599 HD12 LEU 71 HD12 LEU 71 10.893 19.388 19.747 600 HD13 LEU 71 HD13 LEU 71 10.714 20.958 18.961 601 HD21 LEU 71 HD21 LEU 71 8.870 17.677 19.584 602 HD22 LEU 71 HD22 LEU 71 8.955 17.875 17.831 603 HD23 LEU 71 HD23 LEU 71 7.442 18.187 18.677 604 H ARG 72 HN ARG 72 6.280 18.690 22.215 605 HA ARG 72 HA ARG 72 5.587 20.753 24.246 606 HB2 ARG 72 HB2 ARG 72 4.409 17.957 23.883 607 HB3 ARG 72 HB1 ARG 72 4.088 18.993 25.270 608 HG2 ARG 72 HG2 ARG 72 2.950 20.625 23.844 609 HG3 ARG 72 HG1 ARG 72 3.359 19.688 22.402 610 HD2 ARG 72 HD2 ARG 72 1.033 19.284 23.057 611 HD3 ARG 72 HD1 ARG 72 1.981 17.805 23.228 612 HE ARG 72 HE ARG 72 1.309 19.552 25.534 613 HH11 ARG 72 HH11 ARG 72 1.504 16.326 24.172 614 HH12 ARG 72 HH12 ARG 72 0.862 15.554 25.583 615 HH21 ARG 72 HH21 ARG 72 0.478 18.511 27.396 616 HH22 ARG 72 HH22 ARG 72 0.288 16.786 27.400 617 H LEU 73 HN LEU 73 6.888 17.469 23.726 618 HA LEU 73 HA LEU 73 8.304 16.112 24.863 619 HB2 LEU 73 HB2 LEU 73 9.608 18.819 25.259 620 HB3 LEU 73 HB1 LEU 73 10.363 17.370 25.887 621 HG LEU 73 HG LEU 73 11.412 17.960 23.784 622 HD11 LEU 73 HD11 LEU 73 11.205 15.570 24.236 623 HD12 LEU 73 HD12 LEU 73 11.171 15.900 22.507 624 HD13 LEU 73 HD13 LEU 73 9.672 15.518 23.360 625 HD21 LEU 73 HD21 LEU 73 8.690 17.780 22.474 626 HD22 LEU 73 HD22 LEU 73 10.230 18.064 21.656 627 HD23 LEU 73 HD23 LEU 73 9.599 19.260 22.785 628 H ARG 74 HN ARG 74 6.004 16.897 26.354 629 HA ARG 74 HA ARG 74 6.551 17.592 29.042 630 HB2 ARG 74 HB2 ARG 74 4.160 16.092 27.895 631 HB3 ARG 74 HB1 ARG 74 4.217 16.840 29.485 632 HG2 ARG 74 HG2 ARG 74 4.425 18.363 26.866 633 HG3 ARG 74 HG1 ARG 74 2.934 18.136 27.774 634 HD2 ARG 74 HD2 ARG 74 3.657 20.301 28.359 635 HD3 ARG 74 HD1 ARG 74 4.132 19.303 29.731 636 HE ARG 74 HE ARG 74 6.093 19.944 27.629 637 HH11 ARG 74 HH11 ARG 74 5.143 20.234 30.996 638 HH12 ARG 74 HH12 ARG 74 6.614 21.028 31.461 639 HH21 ARG 74 HH21 ARG 74 8.007 21.010 28.248 640 HH22 ARG 74 HH22 ARG 74 8.235 21.451 29.916 641 H GLY 75 HN GLY 75 6.009 14.468 27.447 642 HA2 GLY 75 HA2 GLY 75 7.120 13.014 29.795 643 HA3 GLY 75 HA1 GLY 75 6.026 12.329 28.596 644 H GLY 76 HN GLY 76 8.812 14.396 27.880 645 HA2 GLY 76 HA2 GLY 76 10.859 13.960 26.904 646 HA3 GLY 76 HA1 GLY 76 10.567 12.237 27.091 647 H1 GLY 195 HN GLY 195 19.052 17.094 26.246 648 HA2 GLY 195 HA2 GLY 195 17.404 15.415 26.283 649 HA3 GLY 195 HA1 GLY 195 18.334 14.505 27.462 650 H SER 196 HN SER 196 18.447 17.585 28.581 651 HA SER 196 HA SER 196 16.586 17.140 30.712 652 HB2 SER 196 HB2 SER 196 17.286 19.518 31.375 653 HB3 SER 196 HB1 SER 196 18.606 18.359 31.220 654 HG SER 196 HG SER 196 17.874 19.927 28.995 655 H ARG 197 HN ARG 197 14.447 17.532 30.654 656 HA ARG 197 HA ARG 197 13.272 19.010 28.428 657 HB2 ARG 197 HB2 ARG 197 11.875 17.478 30.665 658 HB3 ARG 197 HB1 ARG 197 11.110 18.127 29.217 659 HG2 ARG 197 HG2 ARG 197 13.158 15.893 29.333 660 HG3 ARG 197 HG1 ARG 197 11.435 15.732 28.980 661 HD2 ARG 197 HD2 ARG 197 11.712 16.976 26.890 662 HD3 ARG 197 HD1 ARG 197 13.417 17.277 27.259 663 HE ARG 197 HE ARG 197 12.776 14.497 27.250 664 HH11 ARG 197 HH11 ARG 197 13.549 17.142 25.054 665 HH12 ARG 197 HH12 ARG 197 14.192 16.079 23.846 666 HH21 ARG 197 HH21 ARG 197 13.635 13.157 25.691 667 HH22 ARG 197 HH22 ARG 197 14.238 13.818 24.203 668 H GLN 198 HN GLN 198 14.331 20.973 29.290 669 HA GLN 198 HA GLN 198 12.944 22.444 31.363 670 HB2 GLN 198 HB2 GLN 198 15.355 22.877 30.825 671 HB3 GLN 198 HB1 GLN 198 14.905 23.379 29.202 672 HG2 GLN 198 HG2 GLN 198 15.381 25.325 30.594 673 HG3 GLN 198 HG1 GLN 198 13.681 25.313 30.130 674 HE21 GLN 198 HE21 GLN 198 15.932 24.944 32.773 675 HE22 GLN 198 HE22 GLN 198 14.766 25.042 34.046 676 H VAL 199 HN VAL 199 11.450 24.176 30.962 677 HA VAL 199 HA VAL 199 9.638 23.871 28.824 678 HB VAL 199 HB VAL 199 8.871 24.853 30.894 679 HG11 VAL 199 HG11 VAL 199 10.896 26.000 31.659 680 HG12 VAL 199 HG12 VAL 199 9.507 27.084 31.711 681 HG13 VAL 199 HG13 VAL 199 10.693 27.238 30.413 682 HG21 VAL 199 HG21 VAL 199 7.604 26.811 30.060 683 HG22 VAL 199 HG22 VAL 199 7.637 25.509 28.872 684 HG23 VAL 199 HG23 VAL 199 8.677 26.919 28.661 685 H THR 200 HN THR 200 10.227 24.109 26.793 686 HA THR 200 HA THR 200 12.450 25.617 25.863 687 HB THR 200 HB THR 200 10.194 24.368 24.215 688 HG1 THR 200 HG1 THR 200 10.940 22.536 24.928 689 HG21 THR 200 HG21 THR 200 13.092 24.954 23.482 690 HG22 THR 200 HG22 THR 200 11.680 25.834 22.894 691 HG23 THR 200 HG23 THR 200 11.908 24.143 22.451 692 H LYS 201 HN LYS 201 12.510 27.590 24.714 693 HA LYS 201 HA LYS 201 10.064 29.239 24.703 694 HB2 LYS 201 HB2 LYS 201 12.982 30.008 24.192 695 HB3 LYS 201 HB1 LYS 201 11.629 31.127 24.077 696 HG2 LYS 201 HG2 LYS 201 12.665 31.501 26.203 697 HG3 LYS 201 HG1 LYS 201 11.134 30.679 26.517 698 HD2 LYS 201 HD2 LYS 201 12.388 28.522 26.723 699 HD3 LYS 201 HD1 LYS 201 13.896 29.407 26.498 700 HE2 LYS 201 HE2 LYS 201 13.524 30.620 28.584 701 HE3 LYS 201 HE1 LYS 201 11.948 29.842 28.783 702 HZ1 LYS 201 HZ1 LYS 201 12.988 27.740 29.037 703 HZ2 LYS 201 HZ2 LYS 201 13.782 28.811 30.077 704 HZ3 LYS 201 HZ3 LYS 201 14.505 28.352 28.622 705 H VAL 202 HN VAL 202 8.981 29.535 22.886 706 HA VAL 202 HA VAL 202 10.006 28.665 20.273 707 HB VAL 202 HB VAL 202 7.860 27.193 20.058 708 HG11 VAL 202 HG11 VAL 202 10.048 26.232 21.941 709 HG12 VAL 202 HG12 VAL 202 10.059 26.127 20.178 710 HG13 VAL 202 HG13 VAL 202 8.886 25.193 21.110 711 HG21 VAL 202 HG21 VAL 202 6.917 26.282 22.152 712 HG22 VAL 202 HG22 VAL 202 6.691 28.027 22.068 713 HG23 VAL 202 HG23 VAL 202 7.952 27.353 23.103 714 H ASP 203 HN ASP 203 7.875 28.781 18.716 715 HA ASP 203 HA ASP 203 6.596 31.424 19.216 716 HB2 ASP 203 HB2 ASP 203 7.647 30.242 16.604 717 HB3 ASP 203 HB1 ASP 203 6.555 31.622 16.651 718 H CYS 204 HN CYS 204 4.473 31.673 18.662 719 HA CYS 204 HA CYS 204 2.801 29.312 18.419 720 HB2 CYS 204 HB2 CYS 204 2.207 31.213 19.935 721 HB3 CYS 204 HB1 CYS 204 2.072 32.270 18.545 722 HA PRO 205 HA PRO 205 3.616 29.836 13.942 723 HB2 PRO 205 HB2 PRO 205 2.287 27.577 13.036 724 HB3 PRO 205 HB1 PRO 205 3.893 27.535 13.777 725 HG2 PRO 205 HG2 PRO 205 1.206 27.045 15.066 726 HG3 PRO 205 HG1 PRO 205 2.694 26.076 15.185 727 HD2 PRO 205 HD2 PRO 205 2.024 27.783 17.140 728 HD3 PRO 205 HD1 PRO 205 3.722 27.604 16.647 729 H VAL 206 HN VAL 206 0.559 29.994 15.449 730 HA VAL 206 HA VAL 206 -0.995 30.577 13.070 731 HB VAL 206 HB VAL 206 -1.827 31.014 15.979 732 HG11 VAL 206 HG11 VAL 206 -3.492 30.618 13.457 733 HG12 VAL 206 HG12 VAL 206 -3.264 32.134 14.332 734 HG13 VAL 206 HG13 VAL 206 -4.130 30.802 15.095 735 HG21 VAL 206 HG21 VAL 206 -1.095 28.670 15.723 736 HG22 VAL 206 HG22 VAL 206 -2.166 28.464 14.337 737 HG23 VAL 206 HG23 VAL 206 -2.845 28.752 15.941 738 H CYS 207 HN CYS 207 -0.236 32.485 16.060 739 HA CYS 207 HA CYS 207 -0.805 34.969 14.568 740 HB2 CYS 207 HB2 CYS 207 -1.307 36.037 16.664 741 HB3 CYS 207 HB1 CYS 207 -2.146 34.491 16.643 742 H GLY 208 HN GLY 208 1.844 33.222 15.349 743 HA2 GLY 208 HA2 GLY 208 4.068 33.605 15.043 744 HA3 GLY 208 HA1 GLY 208 3.614 35.141 14.336 745 H VAL 209 HN VAL 209 3.154 34.092 17.717 746 HA VAL 209 HA VAL 209 4.931 36.302 18.606 747 HB VAL 209 HB VAL 209 3.629 36.436 20.692 748 HG11 VAL 209 HG11 VAL 209 1.549 37.396 19.785 749 HG12 VAL 209 HG12 VAL 209 1.831 36.580 18.246 750 HG13 VAL 209 HG13 VAL 209 2.940 37.841 18.794 751 HG21 VAL 209 HG21 VAL 209 1.824 34.266 19.531 752 HG22 VAL 209 HG22 VAL 209 1.489 35.196 20.993 753 HG23 VAL 209 HG23 VAL 209 2.873 34.107 20.944 754 H ASN 210 HN ASN 210 6.622 35.852 19.938 755 HA ASN 210 HA ASN 210 7.306 33.054 20.394 756 HB2 ASN 210 HB2 ASN 210 9.019 34.692 19.557 757 HB3 ASN 210 HB1 ASN 210 8.944 35.533 21.103 758 HD21 ASN 210 HD21 ASN 210 9.909 32.591 19.494 759 HD22 ASN 210 HD22 ASN 210 10.953 32.006 20.742 760 H ILE 211 HN ILE 211 7.020 32.021 22.236 761 HA ILE 211 HA ILE 211 6.566 33.257 24.846 762 HB ILE 211 HB ILE 211 4.351 31.912 25.035 763 HG12 ILE 211 HG12 ILE 211 4.714 31.821 21.999 764 HG13 ILE 211 HG11 ILE 211 4.598 30.445 23.090 765 HG21 ILE 211 HG21 ILE 211 2.943 33.681 24.048 766 HG22 ILE 211 HG22 ILE 211 4.318 34.278 23.119 767 HG23 ILE 211 HG23 ILE 211 4.336 34.380 24.879 768 HD11 ILE 211 HD11 ILE 211 2.578 30.718 21.828 769 HD12 ILE 211 HD12 ILE 211 2.399 32.377 22.398 770 HD13 ILE 211 HD13 ILE 211 2.259 31.032 23.536 771 HA PRO 212 HA PRO 212 8.354 29.297 26.239 772 HB2 PRO 212 HB2 PRO 212 6.892 28.785 28.566 773 HB3 PRO 212 HB1 PRO 212 8.263 29.893 28.464 774 HG2 PRO 212 HG2 PRO 212 5.318 30.514 28.358 775 HG3 PRO 212 HG1 PRO 212 6.617 31.367 29.225 776 HD2 PRO 212 HD2 PRO 212 5.643 32.314 26.892 777 HD3 PRO 212 HD1 PRO 212 7.370 32.455 27.284 778 H GLU 213 HN GLU 213 7.790 27.020 26.702 779 HA GLU 213 HA GLU 213 6.282 26.010 24.545 780 HB2 GLU 213 HB2 GLU 213 8.404 25.084 25.448 781 HB3 GLU 213 HB1 GLU 213 7.560 24.558 26.891 782 HG2 GLU 213 HG2 GLU 213 6.247 22.964 25.550 783 HG3 GLU 213 HG1 GLU 213 7.059 23.524 24.086 784 H SER 214 HN SER 214 5.569 26.037 28.038 785 HA SER 214 HA SER 214 3.159 24.507 27.889 786 HB2 SER 214 HB2 SER 214 4.400 24.852 30.011 787 HB3 SER 214 HB1 SER 214 4.003 26.569 29.971 788 HG SER 214 HG SER 214 2.618 25.191 31.301 789 H HIS 215 HN HIS 215 3.915 27.951 27.583 790 HA HIS 215 HA HIS 215 1.186 28.870 27.464 791 HB2 HIS 215 HB2 HIS 215 3.143 30.252 28.287 792 HB3 HIS 215 HB1 HIS 215 3.711 30.359 26.625 793 HD1 HIS 215 HD1 HIS 215 3.449 32.991 27.021 794 HD2 HIS 215 HD2 HIS 215 -0.116 30.856 26.997 795 HE1 HIS 215 HE1 HIS 215 1.633 34.696 26.753 796 HE2 HIS 215 HE2 HIS 215 -0.507 33.398 26.953 797 H ILE 216 HN ILE 216 3.487 27.640 25.145 798 HA ILE 216 HA ILE 216 2.266 28.790 22.828 799 HB ILE 216 HB ILE 216 4.708 27.717 23.095 800 HG12 ILE 216 HG12 ILE 216 3.773 28.938 21.059 801 HG13 ILE 216 HG11 ILE 216 4.995 27.728 20.699 802 HG21 ILE 216 HG21 ILE 216 4.011 25.396 23.514 803 HG22 ILE 216 HG22 ILE 216 4.970 25.506 22.044 804 HG23 ILE 216 HG23 ILE 216 3.218 25.328 21.944 805 HD11 ILE 216 HD11 ILE 216 3.200 27.697 19.086 806 HD12 ILE 216 HD12 ILE 216 2.022 27.380 20.358 807 HD13 ILE 216 HD13 ILE 216 3.258 26.182 19.976 808 H ASN 217 HN ASN 217 2.017 25.671 24.530 809 HA ASN 217 HA ASN 217 0.123 24.382 22.940 810 HB2 ASN 217 HB2 ASN 217 1.273 23.240 24.777 811 HB3 ASN 217 HB1 ASN 217 0.514 24.300 25.961 812 HD21 ASN 217 HD21 ASN 217 -1.227 22.832 23.237 813 HD22 ASN 217 HD22 ASN 217 -2.207 21.796 24.205 814 H LYS 218 HN LYS 218 -0.432 26.484 25.793 815 HA LYS 218 HA LYS 218 -3.208 26.618 25.805 816 HB2 LYS 218 HB2 LYS 218 -1.931 27.490 27.652 817 HB3 LYS 218 HB1 LYS 218 -1.083 28.637 26.622 818 HG2 LYS 218 HG2 LYS 218 -3.178 29.908 26.294 819 HG3 LYS 218 HG1 LYS 218 -4.040 28.757 27.318 820 HD2 LYS 218 HD2 LYS 218 -2.701 29.422 29.260 821 HD3 LYS 218 HD1 LYS 218 -1.707 30.485 28.256 822 HE2 LYS 218 HE2 LYS 218 -3.382 31.764 29.530 823 HE3 LYS 218 HE1 LYS 218 -3.664 31.896 27.794 824 HZ1 LYS 218 HZ1 LYS 218 -5.708 31.544 29.061 825 HZ2 LYS 218 HZ2 LYS 218 -5.124 30.063 29.617 826 HZ3 LYS 218 HZ3 LYS 218 -5.431 30.283 27.970 827 H HIS 219 HN HIS 219 -0.892 28.677 24.067 828 HA HIS 219 HA HIS 219 -2.753 30.528 23.041 829 HB2 HIS 219 HB2 HIS 219 0.114 30.188 22.871 830 HB3 HIS 219 HB1 HIS 219 -0.478 30.418 21.236 831 HD2 HIS 219 HD2 HIS 219 -0.696 32.317 24.690 832 HE1 HIS 219 HE1 HIS 219 -0.964 35.117 21.544 833 HE2 HIS 219 HE2 HIS 219 -1.071 34.780 24.038 834 H LEU 220 HN LEU 220 -1.588 27.435 21.811 835 HA LEU 220 HA LEU 220 -2.541 27.720 19.164 836 HB2 LEU 220 HB2 LEU 220 -2.128 25.196 20.791 837 HB3 LEU 220 HB1 LEU 220 -2.453 25.227 19.058 838 HG LEU 220 HG LEU 220 0.007 26.255 20.488 839 HD11 LEU 220 HD11 LEU 220 -0.343 24.034 18.490 840 HD12 LEU 220 HD12 LEU 220 -0.038 23.861 20.221 841 HD13 LEU 220 HD13 LEU 220 1.182 24.585 19.179 842 HD21 LEU 220 HD21 LEU 220 0.891 26.872 18.252 843 HD22 LEU 220 HD22 LEU 220 -0.471 27.865 18.753 844 HD23 LEU 220 HD23 LEU 220 -0.709 26.586 17.562 845 H ASP 221 HN ASP 221 -3.935 26.184 22.027 846 HA ASP 221 HA ASP 221 -6.279 25.195 20.843 847 HB2 ASP 221 HB2 ASP 221 -5.635 25.931 23.725 848 HB3 ASP 221 HB1 ASP 221 -7.146 25.162 23.258 849 H SER 222 HN SER 222 -5.508 28.365 22.083 850 HA SER 222 HA SER 222 -8.200 29.432 21.852 851 HB2 SER 222 HB2 SER 222 -6.622 30.314 23.530 852 HB3 SER 222 HB1 SER 222 -5.495 30.792 22.256 853 HG SER 222 HG SER 222 -6.616 32.545 21.998 854 H CYS 223 HN CYS 223 -5.215 29.458 19.955 855 HA CYS 223 HA CYS 223 -6.102 31.492 18.117 856 HB2 CYS 223 HB2 CYS 223 -3.521 29.940 18.429 857 HB3 CYS 223 HB1 CYS 223 -3.787 31.032 17.068 858 H LEU 224 HN LEU 224 -6.321 28.027 18.132 859 HA LEU 224 HA LEU 224 -6.223 27.744 15.221 860 HB2 LEU 224 HB2 LEU 224 -6.521 25.319 15.600 861 HB3 LEU 224 HB1 LEU 224 -5.189 25.979 16.523 862 HG LEU 224 HG LEU 224 -6.831 25.974 18.557 863 HD11 LEU 224 HD11 LEU 224 -8.575 24.240 18.550 864 HD12 LEU 224 HD12 LEU 224 -8.329 23.988 16.821 865 HD13 LEU 224 HD13 LEU 224 -8.941 25.533 17.411 866 HD21 LEU 224 HD21 LEU 224 -6.239 23.659 19.123 867 HD22 LEU 224 HD22 LEU 224 -4.882 24.505 18.386 868 HD23 LEU 224 HD23 LEU 224 -5.815 23.344 17.438 869 H SER 225 HN SER 225 -8.451 28.927 17.246 870 HA SER 225 HA SER 225 -10.921 27.865 16.711 871 HB2 SER 225 HB2 SER 225 -10.645 29.651 18.329 872 HB3 SER 225 HB1 SER 225 -10.106 30.776 17.084 873 HG SER 225 HG SER 225 -12.130 30.966 16.345 874 H ARG 226 HN ARG 226 -11.460 27.195 14.723 875 HA ARG 226 HA ARG 226 -10.974 28.504 12.262 876 HB2 ARG 226 HB2 ARG 226 -12.898 26.300 13.081 877 HB3 ARG 226 HB1 ARG 226 -12.784 26.872 11.422 878 HG2 ARG 226 HG2 ARG 226 -10.488 25.645 12.996 879 HG3 ARG 226 HG1 ARG 226 -11.475 24.801 11.798 880 HD2 ARG 226 HD2 ARG 226 -9.573 27.123 11.315 881 HD3 ARG 226 HD1 ARG 226 -9.425 25.475 10.703 882 HE ARG 226 HE ARG 226 -11.196 27.593 9.720 883 HH11 ARG 226 HH11 ARG 226 -10.193 24.238 9.406 884 HH12 ARG 226 HH12 ARG 226 -10.993 24.024 7.881 885 HH21 ARG 226 HH21 ARG 226 -12.236 27.297 7.729 886 HH22 ARG 226 HH22 ARG 226 -12.152 25.756 6.931 887 H GLU 227 HN GLU 227 -12.002 30.137 11.347 888 HA GLU 227 HA GLU 227 -14.326 31.399 12.519 889 HB2 GLU 227 HB2 GLU 227 -12.410 32.734 11.706 890 HB3 GLU 227 HB1 GLU 227 -12.634 32.114 10.074 891 HG2 GLU 227 HG2 GLU 227 -14.845 33.244 9.960 892 HG3 GLU 227 HG1 GLU 227 -14.600 33.869 11.592 Start of MODEL 6 1 H1 GLY -2 HT1 GLY -2 8.566 2.197 -3.806 2 H2 GLY -2 HT2 GLY -2 7.628 1.764 -5.140 3 H3 GLY -2 HT3 GLY -2 7.792 0.696 -3.842 4 HA2 GLY -2 HA1 GLY -2 5.656 1.714 -3.750 5 HA3 GLY -2 HA2 GLY -2 6.648 2.235 -2.394 6 H SER -1 HN SER -1 4.978 3.969 -2.395 7 HA SER -1 HA SER -1 5.824 6.289 -4.009 8 HB2 SER -1 HB2 SER -1 2.931 5.374 -3.682 9 HB3 SER -1 HB1 SER -1 3.433 6.892 -4.429 10 HG SER -1 HG SER -1 4.771 5.342 -5.803 11 H HIS 0 HN HIS 0 6.142 5.364 -1.153 12 HA HIS 0 HA HIS 0 4.759 7.304 0.480 13 HB2 HIS 0 HB2 HIS 0 7.148 5.490 1.014 14 HB3 HIS 0 HB1 HIS 0 6.515 6.606 2.215 15 HD1 HIS 0 HD1 HIS 0 6.244 3.196 1.213 16 HD2 HIS 0 HD2 HIS 0 3.589 6.019 2.717 17 HE1 HIS 0 HE1 HIS 0 4.326 1.889 2.160 18 HE2 HIS 0 HE2 HIS 0 2.685 3.613 2.945 19 H MET 1 HN MET 1 5.123 9.364 -0.107 20 HA MET 1 HA MET 1 7.663 10.290 -1.189 21 HB2 MET 1 HB2 MET 1 5.098 11.860 -0.738 22 HB3 MET 1 HB1 MET 1 6.457 12.335 -1.744 23 HG2 MET 1 HG2 MET 1 4.548 10.048 -2.261 24 HG3 MET 1 HG1 MET 1 4.664 11.566 -3.161 25 HE1 MET 1 HE1 MET 1 6.020 8.846 -5.694 26 HE2 MET 1 HE2 MET 1 4.871 10.162 -5.485 27 HE3 MET 1 HE3 MET 1 4.698 8.684 -4.536 28 H GLN 2 HN GLN 2 8.687 12.230 -0.406 29 HA GLN 2 HA GLN 2 8.833 12.249 2.505 30 HB2 GLN 2 HB2 GLN 2 10.741 13.250 0.373 31 HB3 GLN 2 HB1 GLN 2 10.956 13.656 2.070 32 HG2 GLN 2 HG2 GLN 2 12.325 11.816 1.892 33 HG3 GLN 2 HG1 GLN 2 10.846 11.053 2.447 34 HE21 GLN 2 HE21 GLN 2 13.058 9.880 1.052 35 HE22 GLN 2 HE22 GLN 2 12.439 9.210 -0.404 36 H ILE 3 HN ILE 3 8.021 13.746 3.680 37 HA ILE 3 HA ILE 3 7.585 16.507 2.689 38 HB ILE 3 HB ILE 3 5.670 16.710 4.336 39 HG12 ILE 3 HG12 ILE 3 6.311 14.625 5.723 40 HG13 ILE 3 HG11 ILE 3 4.601 14.821 5.381 41 HG21 ILE 3 HG21 ILE 3 5.246 14.706 2.095 42 HG22 ILE 3 HG22 ILE 3 5.191 16.466 1.969 43 HG23 ILE 3 HG23 ILE 3 3.970 15.614 2.914 44 HD11 ILE 3 HD11 ILE 3 6.464 12.944 3.918 45 HD12 ILE 3 HD12 ILE 3 4.728 13.111 3.640 46 HD13 ILE 3 HD13 ILE 3 5.322 12.496 5.182 47 H PHE 4 HN PHE 4 7.650 18.105 4.452 48 HA PHE 4 HA PHE 4 9.790 17.383 6.396 49 HB2 PHE 4 HB2 PHE 4 9.447 20.049 4.939 50 HB3 PHE 4 HB1 PHE 4 10.763 19.605 6.023 51 HD1 PHE 4 HD1 PHE 4 12.275 17.623 5.322 52 HD2 PHE 4 HD2 PHE 4 9.642 19.618 2.597 53 HE1 PHE 4 HE1 PHE 4 13.555 16.732 3.425 54 HE2 PHE 4 HE2 PHE 4 10.935 18.724 0.704 55 HZ PHE 4 HZ PHE 4 12.889 17.279 1.115 56 H VAL 5 HN VAL 5 8.749 17.278 8.306 57 HA VAL 5 HA VAL 5 6.869 19.391 9.141 58 HB VAL 5 HB VAL 5 7.639 16.685 10.341 59 HG11 VAL 5 HG11 VAL 5 7.400 18.221 12.218 60 HG12 VAL 5 HG12 VAL 5 6.025 17.123 12.170 61 HG13 VAL 5 HG13 VAL 5 5.844 18.788 11.607 62 HG21 VAL 5 HG21 VAL 5 5.242 16.160 9.990 63 HG22 VAL 5 HG22 VAL 5 6.015 16.640 8.483 64 HG23 VAL 5 HG23 VAL 5 4.971 17.778 9.333 65 H LYS 6 HN LYS 6 7.621 21.068 10.317 66 HA LYS 6 HA LYS 6 10.420 21.028 11.283 67 HB2 LYS 6 HB2 LYS 6 9.576 22.642 9.389 68 HB3 LYS 6 HB1 LYS 6 8.761 23.518 10.681 69 HG2 LYS 6 HG2 LYS 6 10.762 24.696 10.485 70 HG3 LYS 6 HG1 LYS 6 11.144 23.575 11.797 71 HD2 LYS 6 HD2 LYS 6 12.236 22.054 10.138 72 HD3 LYS 6 HD1 LYS 6 11.884 23.229 8.868 73 HE2 LYS 6 HE2 LYS 6 13.251 24.904 10.265 74 HE3 LYS 6 HE1 LYS 6 13.794 23.503 11.195 75 HZ1 LYS 6 HZ1 LYS 6 14.114 23.841 8.268 76 HZ2 LYS 6 HZ2 LYS 6 14.675 22.546 9.189 77 HZ3 LYS 6 HZ3 LYS 6 15.328 24.084 9.419 78 H THR 7 HN THR 7 10.628 21.000 13.526 79 HA THR 7 HA THR 7 8.374 21.579 15.253 80 HB THR 7 HB THR 7 10.062 21.219 17.130 81 HG1 THR 7 HG1 THR 7 12.049 20.170 16.348 82 HG21 THR 7 HG21 THR 7 9.734 19.017 15.087 83 HG22 THR 7 HG22 THR 7 8.643 19.398 16.419 84 HG23 THR 7 HG23 THR 7 10.264 18.776 16.751 85 H LEU 8 HN LEU 8 8.597 22.965 17.128 86 HA LEU 8 HA LEU 8 9.267 25.672 16.534 87 HB2 LEU 8 HB2 LEU 8 8.624 24.370 19.196 88 HB3 LEU 8 HB1 LEU 8 8.592 26.093 18.855 89 HG LEU 8 HG LEU 8 6.717 24.019 17.677 90 HD11 LEU 8 HD11 LEU 8 6.282 24.417 20.040 91 HD12 LEU 8 HD12 LEU 8 4.996 25.108 19.055 92 HD13 LEU 8 HD13 LEU 8 6.222 26.161 19.764 93 HD21 LEU 8 HD21 LEU 8 5.473 25.921 16.715 94 HD22 LEU 8 HD22 LEU 8 7.104 25.831 16.059 95 HD23 LEU 8 HD23 LEU 8 6.716 27.037 17.291 96 H THR 9 HN THR 9 11.051 23.027 17.961 97 HA THR 9 HA THR 9 13.114 24.655 19.181 98 HB THR 9 HB THR 9 14.385 22.425 19.301 99 HG1 THR 9 HG1 THR 9 12.580 20.658 18.996 100 HG21 THR 9 HG21 THR 9 13.056 23.228 21.222 101 HG22 THR 9 HG22 THR 9 12.952 21.473 21.078 102 HG23 THR 9 HG23 THR 9 11.606 22.482 20.546 103 H GLY 10 HN GLY 10 12.392 23.497 16.005 104 HA2 GLY 10 HA2 GLY 10 13.212 24.769 14.181 105 HA3 GLY 10 HA1 GLY 10 14.729 25.014 15.022 106 H LYS 11 HN LYS 11 13.561 21.778 15.095 107 HA LYS 11 HA LYS 11 15.602 20.987 13.124 108 HB2 LYS 11 HB2 LYS 11 15.670 18.873 14.094 109 HB3 LYS 11 HB1 LYS 11 15.280 19.875 15.483 110 HG2 LYS 11 HG2 LYS 11 12.941 19.226 15.364 111 HG3 LYS 11 HG1 LYS 11 13.246 18.337 13.868 112 HD2 LYS 11 HD2 LYS 11 14.680 17.591 16.435 113 HD3 LYS 11 HD1 LYS 11 13.045 17.014 16.118 114 HE2 LYS 11 HE2 LYS 11 14.681 15.325 15.449 115 HE3 LYS 11 HE1 LYS 11 13.825 15.931 14.036 116 HZ1 LYS 11 HZ1 LYS 11 16.509 16.885 14.867 117 HZ2 LYS 11 HZ2 LYS 11 15.711 17.201 13.407 118 HZ3 LYS 11 HZ3 LYS 11 16.254 15.640 13.755 119 H THR 12 HN THR 12 15.110 19.666 11.346 120 HA THR 12 HA THR 12 12.331 19.668 10.385 121 HB THR 12 HB THR 12 14.862 18.745 8.952 122 HG1 THR 12 HG1 THR 12 15.284 20.812 8.955 123 HG21 THR 12 HG21 THR 12 12.749 17.878 7.955 124 HG22 THR 12 HG22 THR 12 13.519 19.052 6.888 125 HG23 THR 12 HG23 THR 12 12.118 19.518 7.854 126 H ILE 13 HN ILE 13 11.234 17.796 10.027 127 HA ILE 13 HA ILE 13 12.408 15.177 10.747 128 HB ILE 13 HB ILE 13 9.530 16.075 11.319 129 HG12 ILE 13 HG12 ILE 13 10.389 15.510 13.794 130 HG13 ILE 13 HG11 ILE 13 11.966 15.884 13.127 131 HG21 ILE 13 HG21 ILE 13 9.273 13.899 12.458 132 HG22 ILE 13 HG22 ILE 13 10.915 13.454 11.983 133 HG23 ILE 13 HG23 ILE 13 9.678 13.696 10.754 134 HD11 ILE 13 HD11 ILE 13 9.586 17.730 13.193 135 HD12 ILE 13 HD12 ILE 13 11.176 18.118 12.528 136 HD13 ILE 13 HD13 ILE 13 10.997 17.784 14.249 137 H THR 14 HN THR 14 12.721 14.388 8.719 138 HA THR 14 HA THR 14 10.803 14.767 6.563 139 HB THR 14 HB THR 14 13.383 13.125 6.638 140 HG1 THR 14 HG1 THR 14 12.880 15.718 5.554 141 HG21 THR 14 HG21 THR 14 11.870 12.328 4.841 142 HG22 THR 14 HG22 THR 14 13.257 13.175 4.155 143 HG23 THR 14 HG23 THR 14 11.693 13.983 4.249 144 H LEU 15 HN LEU 15 9.041 13.499 6.462 145 HA LEU 15 HA LEU 15 9.107 10.691 7.442 146 HB2 LEU 15 HB2 LEU 15 6.586 12.165 6.567 147 HB3 LEU 15 HB1 LEU 15 6.707 10.700 7.501 148 HG LEU 15 HG LEU 15 6.000 12.290 9.065 149 HD11 LEU 15 HD11 LEU 15 7.778 12.555 10.676 150 HD12 LEU 15 HD12 LEU 15 9.004 12.279 9.439 151 HD13 LEU 15 HD13 LEU 15 7.910 10.977 9.906 152 HD21 LEU 15 HD21 LEU 15 6.948 14.537 9.349 153 HD22 LEU 15 HD22 LEU 15 6.293 14.307 7.732 154 HD23 LEU 15 HD23 LEU 15 8.040 14.260 7.989 155 H GLU 16 HN GLU 16 8.350 9.049 6.035 156 HA GLU 16 HA GLU 16 8.080 9.773 3.170 157 HB2 GLU 16 HB2 GLU 16 8.938 7.054 4.266 158 HB3 GLU 16 HB1 GLU 16 8.824 7.515 2.576 159 HG2 GLU 16 HG2 GLU 16 11.123 7.572 2.986 160 HG3 GLU 16 HG1 GLU 16 10.654 9.267 3.126 161 H VAL 17 HN VAL 17 5.848 10.174 3.336 162 HA VAL 17 HA VAL 17 4.171 7.742 3.417 163 HB VAL 17 HB VAL 17 2.368 8.718 4.689 164 HG11 VAL 17 HG11 VAL 17 4.905 9.329 6.243 165 HG12 VAL 17 HG12 VAL 17 4.106 7.760 6.131 166 HG13 VAL 17 HG13 VAL 17 3.295 9.106 6.933 167 HG21 VAL 17 HG21 VAL 17 2.449 11.011 3.852 168 HG22 VAL 17 HG22 VAL 17 3.912 11.327 4.783 169 HG23 VAL 17 HG23 VAL 17 2.392 11.017 5.617 170 H GLU 18 HN GLU 18 1.950 8.327 2.491 171 HA GLU 18 HA GLU 18 2.447 9.714 -0.049 172 HB2 GLU 18 HB2 GLU 18 -0.068 8.161 0.695 173 HB3 GLU 18 HB1 GLU 18 0.609 8.461 -0.908 174 HG2 GLU 18 HG2 GLU 18 2.623 7.048 -0.154 175 HG3 GLU 18 HG1 GLU 18 1.629 6.585 1.221 176 HA PRO 19 HA PRO 19 -0.139 13.278 1.097 177 HB2 PRO 19 HB2 PRO 19 -1.306 13.882 -1.343 178 HB3 PRO 19 HB1 PRO 19 0.365 14.299 -0.939 179 HG2 PRO 19 HG2 PRO 19 -0.663 11.912 -2.478 180 HG3 PRO 19 HG1 PRO 19 0.675 13.009 -2.883 181 HD2 PRO 19 HD2 PRO 19 1.156 10.608 -1.775 182 HD3 PRO 19 HD1 PRO 19 2.122 12.028 -1.307 183 H SER 20 HN SER 20 -1.389 10.419 -0.474 184 HA SER 20 HA SER 20 -4.197 10.986 0.243 185 HB2 SER 20 HB2 SER 20 -3.655 10.369 -2.131 186 HB3 SER 20 HB1 SER 20 -2.995 8.834 -1.574 187 HG SER 20 HG SER 20 -5.018 8.216 -0.945 188 H ASP 21 HN ASP 21 -1.780 9.952 2.002 189 HA ASP 21 HA ASP 21 -2.549 7.248 2.726 190 HB2 ASP 21 HB2 ASP 21 -0.151 8.208 2.650 191 HB3 ASP 21 HB1 ASP 21 -0.518 9.012 4.167 192 H THR 22 HN THR 22 -1.757 9.481 5.349 193 HA THR 22 HA THR 22 -4.241 10.498 6.064 194 HB THR 22 HB THR 22 -5.003 8.219 6.588 195 HG1 THR 22 HG1 THR 22 -5.847 9.696 8.009 196 HG21 THR 22 HG21 THR 22 -2.838 7.110 7.044 197 HG22 THR 22 HG22 THR 22 -3.983 6.838 8.358 198 HG23 THR 22 HG23 THR 22 -2.689 8.022 8.553 199 H ILE 23 HN ILE 23 -4.092 11.843 7.837 200 HA ILE 23 HA ILE 23 -1.582 12.885 8.570 201 HB ILE 23 HB ILE 23 -4.311 13.270 9.877 202 HG12 ILE 23 HG12 ILE 23 -4.291 14.099 7.558 203 HG13 ILE 23 HG11 ILE 23 -4.380 15.454 8.666 204 HG21 ILE 23 HG21 ILE 23 -3.427 15.312 10.959 205 HG22 ILE 23 HG22 ILE 23 -1.810 14.932 10.361 206 HG23 ILE 23 HG23 ILE 23 -2.601 13.860 11.516 207 HD11 ILE 23 HD11 ILE 23 -2.898 15.938 6.818 208 HD12 ILE 23 HD12 ILE 23 -1.915 14.525 7.196 209 HD13 ILE 23 HD13 ILE 23 -1.984 15.881 8.325 210 H GLU 24 HN GLU 24 -3.749 10.581 10.180 211 HA GLU 24 HA GLU 24 -2.597 10.454 12.734 212 HB2 GLU 24 HB2 GLU 24 -4.783 9.407 12.080 213 HB3 GLU 24 HB1 GLU 24 -3.913 8.183 11.171 214 HG2 GLU 24 HG2 GLU 24 -4.573 7.187 13.234 215 HG3 GLU 24 HG1 GLU 24 -2.834 7.441 13.326 216 H ASN 25 HN ASN 25 -1.651 8.920 9.709 217 HA ASN 25 HA ASN 25 0.357 7.179 10.822 218 HB2 ASN 25 HB2 ASN 25 -0.796 6.858 8.572 219 HB3 ASN 25 HB1 ASN 25 0.178 8.166 7.940 220 HD21 ASN 25 HD21 ASN 25 0.306 4.938 9.286 221 HD22 ASN 25 HD22 ASN 25 1.843 4.505 8.636 222 H VAL 26 HN VAL 26 0.313 10.336 9.252 223 HA VAL 26 HA VAL 26 3.068 10.785 8.980 224 HB VAL 26 HB VAL 26 0.992 12.968 9.519 225 HG11 VAL 26 HG11 VAL 26 3.306 13.810 9.657 226 HG12 VAL 26 HG12 VAL 26 2.504 14.456 8.227 227 HG13 VAL 26 HG13 VAL 26 3.669 13.139 8.064 228 HG21 VAL 26 HG21 VAL 26 0.231 11.546 7.674 229 HG22 VAL 26 HG22 VAL 26 1.777 11.739 6.853 230 HG23 VAL 26 HG23 VAL 26 0.714 13.129 7.069 231 H LYS 27 HN LYS 27 0.897 11.749 11.665 232 HA LYS 27 HA LYS 27 2.927 12.924 13.282 233 HB2 LYS 27 HB2 LYS 27 1.247 13.022 15.049 234 HB3 LYS 27 HB1 LYS 27 0.550 13.522 13.514 235 HG2 LYS 27 HG2 LYS 27 -0.503 11.269 13.294 236 HG3 LYS 27 HG1 LYS 27 0.147 10.842 14.879 237 HD2 LYS 27 HD2 LYS 27 -2.159 11.500 15.173 238 HD3 LYS 27 HD1 LYS 27 -1.140 12.759 15.873 239 HE2 LYS 27 HE2 LYS 27 -1.426 14.071 13.739 240 HE3 LYS 27 HE1 LYS 27 -2.564 12.841 13.196 241 HZ1 LYS 27 HZ1 LYS 27 -3.727 14.702 14.154 242 HZ2 LYS 27 HZ2 LYS 27 -2.864 14.553 15.599 243 HZ3 LYS 27 HZ3 LYS 27 -3.945 13.339 15.137 244 H ALA 28 HN ALA 28 1.642 9.626 13.004 245 HA ALA 28 HA ALA 28 3.031 8.448 15.187 246 HB1 ALA 28 HB1 ALA 28 2.227 7.186 12.533 247 HB2 ALA 28 HB2 ALA 28 1.217 7.287 13.977 248 HB3 ALA 28 HB3 ALA 28 2.686 6.311 13.997 249 H LYS 29 HN LYS 29 3.991 9.295 11.897 250 HA LYS 29 HA LYS 29 6.518 7.956 11.960 251 HB2 LYS 29 HB2 LYS 29 5.558 10.123 10.051 252 HB3 LYS 29 HB1 LYS 29 7.051 9.222 9.872 253 HG2 LYS 29 HG2 LYS 29 4.221 8.226 9.535 254 HG3 LYS 29 HG1 LYS 29 5.496 8.318 8.329 255 HD2 LYS 29 HD2 LYS 29 5.744 6.078 8.746 256 HD3 LYS 29 HD1 LYS 29 6.661 6.610 10.154 257 HE2 LYS 29 HE2 LYS 29 4.476 6.551 11.458 258 HE3 LYS 29 HE1 LYS 29 3.750 5.761 10.056 259 HZ1 LYS 29 HZ1 LYS 29 6.089 4.729 11.562 260 HZ2 LYS 29 HZ2 LYS 29 5.310 3.948 10.279 261 HZ3 LYS 29 HZ3 LYS 29 4.503 4.183 11.750 262 H ILE 30 HN ILE 30 5.457 11.315 12.723 263 HA ILE 30 HA ILE 30 7.928 12.474 13.244 264 HB ILE 30 HB ILE 30 5.176 12.885 14.440 265 HG12 ILE 30 HG12 ILE 30 5.713 15.316 13.663 266 HG13 ILE 30 HG11 ILE 30 7.137 14.623 12.902 267 HG21 ILE 30 HG21 ILE 30 6.532 13.107 16.451 268 HG22 ILE 30 HG22 ILE 30 5.966 14.699 15.949 269 HG23 ILE 30 HG23 ILE 30 7.631 14.216 15.629 270 HD11 ILE 30 HD11 ILE 30 4.286 13.935 12.268 271 HD12 ILE 30 HD12 ILE 30 5.712 13.234 11.498 272 HD13 ILE 30 HD13 ILE 30 5.363 14.953 11.317 273 H GLN 31 HN GLN 31 5.947 10.428 15.430 274 HA GLN 31 HA GLN 31 7.860 10.326 17.535 275 HB2 GLN 31 HB2 GLN 31 5.443 9.744 17.813 276 HB3 GLN 31 HB1 GLN 31 5.705 8.271 16.883 277 HG2 GLN 31 HG2 GLN 31 7.243 7.423 18.589 278 HG3 GLN 31 HG1 GLN 31 7.111 8.926 19.495 279 HE21 GLN 31 HE21 GLN 31 4.321 7.357 18.015 280 HE22 GLN 31 HE22 GLN 31 3.581 6.870 19.494 281 H ASP 32 HN ASP 32 7.498 8.461 14.592 282 HA ASP 32 HA ASP 32 9.328 6.352 15.204 283 HB2 ASP 32 HB2 ASP 32 7.642 6.066 13.461 284 HB3 ASP 32 HB1 ASP 32 8.270 7.438 12.558 285 H LYS 33 HN LYS 33 9.781 9.659 14.123 286 HA LYS 33 HA LYS 33 12.544 9.126 13.188 287 HB2 LYS 33 HB2 LYS 33 10.818 11.613 12.861 288 HB3 LYS 33 HB1 LYS 33 12.431 11.407 12.189 289 HG2 LYS 33 HG2 LYS 33 10.034 9.707 11.450 290 HG3 LYS 33 HG1 LYS 33 10.573 11.120 10.544 291 HD2 LYS 33 HD2 LYS 33 12.714 10.010 10.057 292 HD3 LYS 33 HD1 LYS 33 12.209 8.592 10.989 293 HE2 LYS 33 HE2 LYS 33 10.392 8.162 9.400 294 HE3 LYS 33 HE1 LYS 33 10.782 9.642 8.519 295 HZ1 LYS 33 HZ1 LYS 33 11.701 7.735 7.409 296 HZ2 LYS 33 HZ2 LYS 33 12.547 7.277 8.796 297 HZ3 LYS 33 HZ3 LYS 33 12.950 8.708 7.996 298 H GLU 34 HN GLU 34 10.923 11.855 14.959 299 HA GLU 34 HA GLU 34 13.445 12.491 16.263 300 HB2 GLU 34 HB2 GLU 34 12.401 14.513 17.065 301 HB3 GLU 34 HB1 GLU 34 12.033 14.317 15.357 302 HG2 GLU 34 HG2 GLU 34 9.756 13.609 15.881 303 HG3 GLU 34 HG1 GLU 34 10.106 13.643 17.609 304 H GLY 35 HN GLY 35 10.477 10.855 17.085 305 HA2 GLY 35 HA2 GLY 35 10.474 9.170 18.749 306 HA3 GLY 35 HA1 GLY 35 11.710 10.039 19.647 307 H ILE 36 HN ILE 36 9.241 12.098 18.560 308 HA ILE 36 HA ILE 36 8.240 12.343 21.313 309 HB ILE 36 HB ILE 36 8.315 14.308 18.987 310 HG12 ILE 36 HG12 ILE 36 9.324 15.815 20.802 311 HG13 ILE 36 HG11 ILE 36 9.284 14.438 21.892 312 HG21 ILE 36 HG21 ILE 36 6.605 14.600 21.494 313 HG22 ILE 36 HG22 ILE 36 6.030 14.508 19.828 314 HG23 ILE 36 HG23 ILE 36 6.953 15.914 20.364 315 HD11 ILE 36 HD11 ILE 36 10.906 14.655 19.368 316 HD12 ILE 36 HD12 ILE 36 10.885 13.265 20.457 317 HD13 ILE 36 HD13 ILE 36 11.501 14.821 21.018 318 HA PRO 37 HA PRO 37 4.604 10.056 20.087 319 HB2 PRO 37 HB2 PRO 37 3.020 10.546 22.297 320 HB3 PRO 37 HB1 PRO 37 4.398 9.439 22.320 321 HG2 PRO 37 HG2 PRO 37 4.275 12.322 23.195 322 HG3 PRO 37 HG1 PRO 37 4.988 10.929 24.041 323 HD2 PRO 37 HD2 PRO 37 6.515 12.656 22.642 324 HD3 PRO 37 HD1 PRO 37 6.896 10.926 22.674 325 HA PRO 38 HA PRO 38 1.768 12.687 17.888 326 HB2 PRO 38 HB2 PRO 38 -0.661 11.323 18.226 327 HB3 PRO 38 HB1 PRO 38 0.594 10.880 17.060 328 HG2 PRO 38 HG2 PRO 38 0.118 9.787 19.832 329 HG3 PRO 38 HG1 PRO 38 0.459 8.906 18.324 330 HD2 PRO 38 HD2 PRO 38 2.407 9.304 20.092 331 HD3 PRO 38 HD1 PRO 38 2.749 9.498 18.358 332 H ASP 39 HN ASP 39 1.161 12.086 21.260 333 HA ASP 39 HA ASP 39 -0.871 14.110 21.605 334 HB2 ASP 39 HB2 ASP 39 -0.775 12.172 23.125 335 HB3 ASP 39 HB1 ASP 39 0.850 12.626 23.643 336 H GLN 40 HN GLN 40 2.648 13.855 22.177 337 HA GLN 40 HA GLN 40 2.826 16.469 23.450 338 HB2 GLN 40 HB2 GLN 40 4.635 14.131 23.103 339 HB3 GLN 40 HB1 GLN 40 5.478 15.668 23.017 340 HG2 GLN 40 HG2 GLN 40 5.510 14.728 25.273 341 HG3 GLN 40 HG1 GLN 40 4.684 16.277 25.222 342 HE21 GLN 40 HE21 GLN 40 3.243 13.196 24.315 343 HE22 GLN 40 HE22 GLN 40 2.099 13.147 25.597 344 H GLN 41 HN GLN 41 3.281 15.152 20.299 345 HA GLN 41 HA GLN 41 4.291 17.692 19.221 346 HB2 GLN 41 HB2 GLN 41 4.537 16.524 17.127 347 HB3 GLN 41 HB1 GLN 41 5.169 15.478 18.381 348 HG2 GLN 41 HG2 GLN 41 4.020 13.902 17.205 349 HG3 GLN 41 HG1 GLN 41 2.706 14.436 18.233 350 HE21 GLN 41 HE21 GLN 41 4.080 14.739 15.019 351 HE22 GLN 41 HE22 GLN 41 2.637 15.240 14.221 352 H ARG 42 HN ARG 42 2.992 18.920 17.745 353 HA ARG 42 HA ARG 42 0.188 18.102 17.363 354 HB2 ARG 42 HB2 ARG 42 0.679 19.766 19.372 355 HB3 ARG 42 HB1 ARG 42 0.865 20.973 18.103 356 HG2 ARG 42 HG2 ARG 42 -1.411 20.849 17.482 357 HG3 ARG 42 HG1 ARG 42 -1.627 19.273 18.255 358 HD2 ARG 42 HD2 ARG 42 -1.261 20.353 20.466 359 HD3 ARG 42 HD1 ARG 42 -1.191 21.917 19.666 360 HE ARG 42 HE ARG 42 -3.585 20.643 18.939 361 HH11 ARG 42 HH11 ARG 42 -2.157 22.192 21.760 362 HH12 ARG 42 HH12 ARG 42 -3.697 22.638 22.431 363 HH21 ARG 42 HH21 ARG 42 -5.583 21.224 19.841 364 HH22 ARG 42 HH22 ARG 42 -5.625 22.084 21.352 365 H LEU 43 HN LEU 43 -0.333 18.251 15.358 366 HA LEU 43 HA LEU 43 1.776 19.043 13.502 367 HB2 LEU 43 HB2 LEU 43 0.737 16.682 13.831 368 HB3 LEU 43 HB1 LEU 43 -0.680 17.310 13.011 369 HG LEU 43 HG LEU 43 0.529 17.563 10.940 370 HD11 LEU 43 HD11 LEU 43 2.649 18.437 11.785 371 HD12 LEU 43 HD12 LEU 43 2.928 17.080 10.699 372 HD13 LEU 43 HD13 LEU 43 3.071 16.851 12.444 373 HD21 LEU 43 HD21 LEU 43 1.228 14.930 12.285 374 HD22 LEU 43 HD22 LEU 43 1.254 15.217 10.538 375 HD23 LEU 43 HD23 LEU 43 -0.266 15.310 11.422 376 H ILE 44 HN ILE 44 1.467 20.771 12.117 377 HA ILE 44 HA ILE 44 -1.236 21.952 11.783 378 HB ILE 44 HB ILE 44 1.201 23.425 12.908 379 HG12 ILE 44 HG12 ILE 44 -1.566 22.995 14.152 380 HG13 ILE 44 HG11 ILE 44 -0.128 22.071 14.563 381 HG21 ILE 44 HG21 ILE 44 -0.196 25.496 12.958 382 HG22 ILE 44 HG22 ILE 44 -1.480 24.643 12.099 383 HG23 ILE 44 HG23 ILE 44 0.071 24.923 11.312 384 HD11 ILE 44 HD11 ILE 44 -0.577 23.727 16.223 385 HD12 ILE 44 HD12 ILE 44 -0.553 25.008 15.014 386 HD13 ILE 44 HD13 ILE 44 0.926 24.120 15.390 387 H PHE 45 HN PHE 45 -1.552 22.751 9.770 388 HA PHE 45 HA PHE 45 0.730 23.823 8.213 389 HB2 PHE 45 HB2 PHE 45 0.161 21.535 7.343 390 HB3 PHE 45 HB1 PHE 45 -1.495 22.056 7.072 391 HD1 PHE 45 HD2 PHE 45 2.036 22.648 6.012 392 HD2 PHE 45 HD1 PHE 45 -2.087 23.177 5.006 393 HE1 PHE 45 HE2 PHE 45 2.680 23.331 3.745 394 HE2 PHE 45 HE1 PHE 45 -1.431 23.861 2.739 395 HZ PHE 45 HZ PHE 45 0.946 23.940 2.101 396 H ALA 46 HN ALA 46 0.259 25.802 7.432 397 HA ALA 46 HA ALA 46 -0.773 27.722 6.825 398 HB1 ALA 46 HB1 ALA 46 -3.037 27.664 5.855 399 HB2 ALA 46 HB2 ALA 46 -3.286 26.041 6.509 400 HB3 ALA 46 HB3 ALA 46 -2.069 26.313 5.263 401 H GLY 47 HN GLY 47 -0.894 26.621 9.695 402 HA2 GLY 47 HA2 GLY 47 -1.309 27.753 11.681 403 HA3 GLY 47 HA1 GLY 47 -2.366 28.866 10.828 404 H LYS 48 HN LYS 48 -3.052 25.535 10.237 405 HA LYS 48 HA LYS 48 -5.168 25.448 12.340 406 HB2 LYS 48 HB2 LYS 48 -6.698 24.426 10.780 407 HB3 LYS 48 HB1 LYS 48 -6.040 25.844 9.975 408 HG2 LYS 48 HG2 LYS 48 -4.369 24.217 8.867 409 HG3 LYS 48 HG1 LYS 48 -5.420 22.930 9.443 410 HD2 LYS 48 HD2 LYS 48 -5.971 23.391 7.164 411 HD3 LYS 48 HD1 LYS 48 -7.306 23.975 8.159 412 HE2 LYS 48 HE2 LYS 48 -6.524 26.278 7.896 413 HE3 LYS 48 HE1 LYS 48 -5.098 25.721 7.014 414 HZ1 LYS 48 HZ1 LYS 48 -6.599 24.811 5.318 415 HZ2 LYS 48 HZ2 LYS 48 -6.746 26.489 5.478 416 HZ3 LYS 48 HZ3 LYS 48 -7.918 25.471 6.142 417 H GLN 49 HN GLN 49 -5.437 23.467 13.383 418 HA GLN 49 HA GLN 49 -3.198 21.659 13.366 419 HB2 GLN 49 HB2 GLN 49 -4.249 22.166 15.498 420 HB3 GLN 49 HB1 GLN 49 -5.820 21.613 14.928 421 HG2 GLN 49 HG2 GLN 49 -5.025 19.301 14.844 422 HG3 GLN 49 HG1 GLN 49 -3.389 19.818 15.256 423 HE21 GLN 49 HE21 GLN 49 -3.412 18.390 17.034 424 HE22 GLN 49 HE22 GLN 49 -4.300 18.725 18.478 425 H LEU 50 HN LEU 50 -3.018 19.722 12.379 426 HA LEU 50 HA LEU 50 -4.905 19.009 10.326 427 HB2 LEU 50 HB2 LEU 50 -2.387 17.528 11.164 428 HB3 LEU 50 HB1 LEU 50 -3.260 17.380 9.646 429 HG LEU 50 HG LEU 50 -1.571 19.719 10.585 430 HD11 LEU 50 HD11 LEU 50 -0.266 19.275 8.559 431 HD12 LEU 50 HD12 LEU 50 -1.326 17.920 8.165 432 HD13 LEU 50 HD13 LEU 50 -0.328 17.868 9.616 433 HD21 LEU 50 HD21 LEU 50 -3.556 20.703 9.553 434 HD22 LEU 50 HD22 LEU 50 -3.360 19.672 8.134 435 HD23 LEU 50 HD23 LEU 50 -2.158 20.907 8.502 436 H GLU 51 HN GLU 51 -6.532 17.603 10.558 437 HA GLU 51 HA GLU 51 -7.050 16.200 13.005 438 HB2 GLU 51 HB2 GLU 51 -8.892 17.300 11.807 439 HB3 GLU 51 HB1 GLU 51 -8.555 16.369 10.352 440 HG2 GLU 51 HG2 GLU 51 -9.182 14.280 11.591 441 HG3 GLU 51 HG1 GLU 51 -9.618 15.274 12.977 442 H ASP 52 HN ASP 52 -6.929 14.013 13.318 443 HA ASP 52 HA ASP 52 -4.927 12.603 11.936 444 HB2 ASP 52 HB2 ASP 52 -5.537 10.703 13.423 445 HB3 ASP 52 HB1 ASP 52 -5.353 12.224 14.287 446 H GLY 53 HN GLY 53 -8.441 12.458 11.698 447 HA2 GLY 53 HA2 GLY 53 -8.633 10.049 10.167 448 HA3 GLY 53 HA1 GLY 53 -9.900 11.234 10.428 449 H ARG 54 HN ARG 54 -8.231 13.444 9.333 450 HA ARG 54 HA ARG 54 -8.846 13.150 6.530 451 HB2 ARG 54 HB2 ARG 54 -7.463 15.379 8.080 452 HB3 ARG 54 HB1 ARG 54 -7.847 15.473 6.361 453 HG2 ARG 54 HG2 ARG 54 -10.266 15.193 6.928 454 HG3 ARG 54 HG1 ARG 54 -9.849 15.200 8.633 455 HD2 ARG 54 HD2 ARG 54 -8.969 17.484 8.418 456 HD3 ARG 54 HD1 ARG 54 -9.345 17.484 6.698 457 HE ARG 54 HE ARG 54 -11.737 17.211 7.387 458 HH11 ARG 54 HH11 ARG 54 -9.526 18.722 9.650 459 HH12 ARG 54 HH12 ARG 54 -10.743 19.738 10.343 460 HH21 ARG 54 HH21 ARG 54 -13.304 18.569 8.322 461 HH22 ARG 54 HH22 ARG 54 -12.854 19.653 9.598 462 H THR 55 HN THR 55 -7.069 14.078 4.973 463 HA THR 55 HA THR 55 -4.555 12.525 5.348 464 HB THR 55 HB THR 55 -4.430 12.455 2.824 465 HG1 THR 55 HG1 THR 55 -7.167 13.081 2.662 466 HG21 THR 55 HG21 THR 55 -6.105 10.686 2.481 467 HG22 THR 55 HG22 THR 55 -6.934 11.164 3.964 468 HG23 THR 55 HG23 THR 55 -5.301 10.498 4.044 469 H LEU 56 HN LEU 56 -2.711 13.438 4.089 470 HA LEU 56 HA LEU 56 -2.102 16.103 4.638 471 HB2 LEU 56 HB2 LEU 56 -0.981 14.240 2.511 472 HB3 LEU 56 HB1 LEU 56 -0.306 15.827 2.830 473 HG LEU 56 HG LEU 56 -0.387 13.520 4.828 474 HD11 LEU 56 HD11 LEU 56 1.954 14.659 3.249 475 HD12 LEU 56 HD12 LEU 56 1.196 13.085 3.003 476 HD13 LEU 56 HD13 LEU 56 2.056 13.418 4.501 477 HD21 LEU 56 HD21 LEU 56 -0.499 15.711 5.966 478 HD22 LEU 56 HD22 LEU 56 0.929 16.261 5.090 479 HD23 LEU 56 HD23 LEU 56 1.057 14.933 6.250 480 H SER 57 HN SER 57 -3.195 14.611 1.607 481 HA SER 57 HA SER 57 -3.245 16.847 -0.063 482 HB2 SER 57 HB2 SER 57 -3.313 14.509 -0.886 483 HB3 SER 57 HB1 SER 57 -4.939 14.310 -0.226 484 HG SER 57 HG SER 57 -5.685 15.847 -1.685 485 H ASP 58 HN ASP 58 -5.558 15.757 2.364 486 HA ASP 58 HA ASP 58 -7.880 17.155 1.442 487 HB2 ASP 58 HB2 ASP 58 -7.806 15.240 3.142 488 HB3 ASP 58 HB1 ASP 58 -7.212 16.395 4.325 489 H TYR 59 HN TYR 59 -5.203 17.943 3.620 490 HA TYR 59 HA TYR 59 -6.179 20.647 4.175 491 HB2 TYR 59 HB2 TYR 59 -3.910 18.933 5.230 492 HB3 TYR 59 HB1 TYR 59 -3.913 20.664 5.516 493 HD1 TYR 59 HD1 TYR 59 -5.971 21.674 6.639 494 HD2 TYR 59 HD2 TYR 59 -5.112 17.493 6.719 495 HE1 TYR 59 HE1 TYR 59 -7.356 21.432 8.641 496 HE2 TYR 59 HE2 TYR 59 -6.504 17.254 8.717 497 HH TYR 59 HH TYR 59 -7.187 19.176 10.705 498 H ASN 60 HN ASN 60 -5.121 19.635 1.449 499 HA ASN 60 HA ASN 60 -4.143 20.543 -0.375 500 HB2 ASN 60 HB2 ASN 60 -3.680 23.012 1.365 501 HB3 ASN 60 HB1 ASN 60 -3.519 22.963 -0.385 502 HD21 ASN 60 HD21 ASN 60 -5.795 22.849 2.294 503 HD22 ASN 60 HD22 ASN 60 -7.195 23.255 1.362 504 H ILE 61 HN ILE 61 -2.543 19.271 1.943 505 HA ILE 61 HA ILE 61 0.188 20.218 1.502 506 HB ILE 61 HB ILE 61 -0.709 17.770 3.086 507 HG12 ILE 61 HG12 ILE 61 -0.187 20.484 4.356 508 HG13 ILE 61 HG11 ILE 61 -1.793 20.000 3.827 509 HG21 ILE 61 HG21 ILE 61 1.850 19.409 3.311 510 HG22 ILE 61 HG22 ILE 61 1.703 17.806 2.589 511 HG23 ILE 61 HG23 ILE 61 1.425 18.019 4.316 512 HD11 ILE 61 HD11 ILE 61 -0.134 18.487 5.834 513 HD12 ILE 61 HD12 ILE 61 -1.814 18.161 5.364 514 HD13 ILE 61 HD13 ILE 61 -1.404 19.650 6.218 515 H GLN 62 HN GLN 62 1.570 19.238 0.127 516 HA GLN 62 HA GLN 62 0.913 16.593 -1.051 517 HB2 GLN 62 HB2 GLN 62 1.981 17.352 -3.137 518 HB3 GLN 62 HB1 GLN 62 0.629 18.399 -2.733 519 HG2 GLN 62 HG2 GLN 62 2.067 20.188 -2.066 520 HG3 GLN 62 HG1 GLN 62 3.481 19.140 -2.017 521 HE21 GLN 62 HE21 GLN 62 4.517 18.593 -3.922 522 HE22 GLN 62 HE22 GLN 62 4.242 19.438 -5.407 523 H LYS 63 HN LYS 63 3.131 15.873 -2.190 524 HA LYS 63 HA LYS 63 5.110 15.341 -0.296 525 HB2 LYS 63 HB2 LYS 63 6.547 14.724 -2.235 526 HB3 LYS 63 HB1 LYS 63 4.966 13.977 -2.305 527 HG2 LYS 63 HG2 LYS 63 4.236 15.711 -3.939 528 HG3 LYS 63 HG1 LYS 63 5.883 16.360 -3.930 529 HD2 LYS 63 HD2 LYS 63 5.109 13.519 -4.701 530 HD3 LYS 63 HD1 LYS 63 5.520 14.809 -5.835 531 HE2 LYS 63 HE2 LYS 63 7.461 13.956 -3.671 532 HE3 LYS 63 HE1 LYS 63 7.363 13.119 -5.199 533 HZ1 LYS 63 HZ1 LYS 63 7.801 15.235 -6.330 534 HZ2 LYS 63 HZ2 LYS 63 9.058 14.796 -5.294 535 HZ3 LYS 63 HZ3 LYS 63 7.966 15.995 -4.829 536 H GLU 64 HN GLU 64 7.059 16.187 0.102 537 HA GLU 64 HA GLU 64 8.661 17.668 0.571 538 HB2 GLU 64 HB2 GLU 64 8.024 18.822 -2.162 539 HB3 GLU 64 HB1 GLU 64 9.487 19.164 -1.243 540 HG2 GLU 64 HG2 GLU 64 10.215 16.846 -1.451 541 HG3 GLU 64 HG1 GLU 64 8.697 16.396 -2.234 542 H SER 65 HN SER 65 5.518 18.517 0.739 543 HA SER 65 HA SER 65 5.722 21.350 1.137 544 HB2 SER 65 HB2 SER 65 3.643 19.383 2.180 545 HB3 SER 65 HB1 SER 65 3.513 21.139 2.272 546 HG SER 65 HG SER 65 4.054 20.227 -0.243 547 H THR 66 HN THR 66 6.453 22.426 2.864 548 HA THR 66 HA THR 66 7.209 20.949 5.297 549 HB THR 66 HB THR 66 8.025 23.790 4.544 550 HG1 THR 66 HG1 THR 66 8.746 21.658 3.293 551 HG21 THR 66 HG21 THR 66 9.823 23.445 6.218 552 HG22 THR 66 HG22 THR 66 9.201 21.832 6.573 553 HG23 THR 66 HG23 THR 66 8.238 23.256 6.974 554 H LEU 67 HN LEU 67 6.436 21.534 7.280 555 HA LEU 67 HA LEU 67 4.374 23.595 7.558 556 HB2 LEU 67 HB2 LEU 67 2.796 21.974 8.587 557 HB3 LEU 67 HB1 LEU 67 3.029 21.711 6.879 558 HG LEU 67 HG LEU 67 4.540 20.019 8.902 559 HD11 LEU 67 HD11 LEU 67 2.746 18.342 8.814 560 HD12 LEU 67 HD12 LEU 67 1.743 19.450 7.871 561 HD13 LEU 67 HD13 LEU 67 2.181 19.850 9.533 562 HD21 LEU 67 HD21 LEU 67 5.272 19.840 6.555 563 HD22 LEU 67 HD22 LEU 67 3.628 19.440 6.054 564 HD23 LEU 67 HD23 LEU 67 4.531 18.333 7.093 565 H HIS 68 HN HIS 68 3.575 23.491 9.965 566 HA HIS 68 HA HIS 68 6.022 23.521 11.624 567 HB2 HIS 68 HB2 HIS 68 3.379 25.000 11.829 568 HB3 HIS 68 HB1 HIS 68 4.438 24.868 13.232 569 HD1 HIS 68 HD1 HIS 68 3.937 26.824 10.168 570 HD2 HIS 68 HD2 HIS 68 7.044 26.100 12.829 571 HE1 HIS 68 HE1 HIS 68 5.611 28.642 9.763 572 HE2 HIS 68 HE2 HIS 68 7.399 28.277 11.488 573 H LEU 69 HN LEU 69 6.007 22.794 13.755 574 HA LEU 69 HA LEU 69 4.033 20.765 14.551 575 HB2 LEU 69 HB2 LEU 69 6.105 19.798 13.363 576 HB3 LEU 69 HB1 LEU 69 7.056 20.365 14.712 577 HG LEU 69 HG LEU 69 6.538 17.911 14.776 578 HD11 LEU 69 HD11 LEU 69 7.049 19.089 16.881 579 HD12 LEU 69 HD12 LEU 69 5.977 17.715 17.115 580 HD13 LEU 69 HD13 LEU 69 5.323 19.354 17.141 581 HD21 LEU 69 HD21 LEU 69 4.312 17.970 13.763 582 HD22 LEU 69 HD22 LEU 69 3.660 18.759 15.202 583 HD23 LEU 69 HD23 LEU 69 4.292 17.114 15.301 584 H VAL 70 HN VAL 70 3.349 21.373 16.486 585 HA VAL 70 HA VAL 70 4.946 23.071 18.230 586 HB VAL 70 HB VAL 70 2.004 22.274 18.306 587 HG11 VAL 70 HG11 VAL 70 1.719 23.824 20.230 588 HG12 VAL 70 HG12 VAL 70 3.471 24.030 20.322 589 HG13 VAL 70 HG13 VAL 70 2.750 22.451 20.641 590 HG21 VAL 70 HG21 VAL 70 3.370 24.954 17.815 591 HG22 VAL 70 HG22 VAL 70 1.627 24.682 17.866 592 HG23 VAL 70 HG23 VAL 70 2.593 23.935 16.597 593 H LEU 71 HN LEU 71 6.308 22.031 19.424 594 HA LEU 71 HA LEU 71 5.855 19.474 20.669 595 HB2 LEU 71 HB2 LEU 71 8.030 21.584 20.995 596 HB3 LEU 71 HB1 LEU 71 8.014 20.051 21.849 597 HG LEU 71 HG LEU 71 8.192 20.354 18.828 598 HD11 LEU 71 HD11 LEU 71 10.324 19.539 20.831 599 HD12 LEU 71 HD12 LEU 71 10.270 21.049 19.921 600 HD13 LEU 71 HD13 LEU 71 10.501 19.523 19.072 601 HD21 LEU 71 HD21 LEU 71 8.315 17.831 20.533 602 HD22 LEU 71 HD22 LEU 71 8.600 17.911 18.793 603 HD23 LEU 71 HD23 LEU 71 7.004 18.287 19.441 604 H ARG 72 HN ARG 72 5.265 19.087 22.727 605 HA ARG 72 HA ARG 72 4.247 21.330 24.396 606 HB2 ARG 72 HB2 ARG 72 3.203 18.462 24.136 607 HB3 ARG 72 HB1 ARG 72 2.551 19.686 25.227 608 HG2 ARG 72 HG2 ARG 72 1.804 21.040 23.319 609 HG3 ARG 72 HG1 ARG 72 2.540 19.890 22.197 610 HD2 ARG 72 HD2 ARG 72 0.130 19.516 22.333 611 HD3 ARG 72 HD1 ARG 72 0.996 18.124 22.994 612 HE ARG 72 HE ARG 72 -0.074 20.225 24.779 613 HH11 ARG 72 HH11 ARG 72 -0.077 16.856 23.817 614 HH12 ARG 72 HH12 ARG 72 -1.066 16.349 25.148 615 HH21 ARG 72 HH21 ARG 72 -1.372 19.534 26.513 616 HH22 ARG 72 HH22 ARG 72 -1.799 17.858 26.659 617 H LEU 73 HN LEU 73 5.528 18.022 24.451 618 HA LEU 73 HA LEU 73 6.584 16.725 25.962 619 HB2 LEU 73 HB2 LEU 73 8.099 19.345 26.168 620 HB3 LEU 73 HB1 LEU 73 8.618 17.939 27.075 621 HG LEU 73 HG LEU 73 9.962 18.114 25.064 622 HD11 LEU 73 HD11 LEU 73 9.622 15.911 24.036 623 HD12 LEU 73 HD12 LEU 73 8.022 15.799 24.776 624 HD13 LEU 73 HD13 LEU 73 9.465 15.843 25.788 625 HD21 LEU 73 HD21 LEU 73 7.405 18.015 23.437 626 HD22 LEU 73 HD22 LEU 73 9.051 18.013 22.793 627 HD23 LEU 73 HD23 LEU 73 8.448 19.422 23.659 628 H ARG 74 HN ARG 74 4.237 17.358 26.983 629 HA ARG 74 HA ARG 74 4.210 18.572 29.564 630 HB2 ARG 74 HB2 ARG 74 2.207 16.571 28.426 631 HB3 ARG 74 HB1 ARG 74 1.919 17.713 29.735 632 HG2 ARG 74 HG2 ARG 74 2.396 18.399 26.819 633 HG3 ARG 74 HG1 ARG 74 0.857 18.480 27.679 634 HD2 ARG 74 HD2 ARG 74 3.310 20.178 28.284 635 HD3 ARG 74 HD1 ARG 74 1.877 20.711 27.399 636 HE ARG 74 HE ARG 74 0.895 19.801 29.781 637 HH11 ARG 74 HH11 ARG 74 3.356 22.196 28.998 638 HH12 ARG 74 HH12 ARG 74 2.940 23.208 30.345 639 HH21 ARG 74 HH21 ARG 74 0.412 21.113 31.526 640 HH22 ARG 74 HH22 ARG 74 1.267 22.605 31.767 641 H GLY 75 HN GLY 75 4.549 15.262 28.395 642 HA2 GLY 75 HA2 GLY 75 4.789 14.073 31.048 643 HA3 GLY 75 HA1 GLY 75 4.916 13.254 29.496 644 H GLY 76 HN GLY 76 6.868 16.069 29.676 645 HA2 GLY 76 HA2 GLY 76 9.090 16.492 30.018 646 HA3 GLY 76 HA1 GLY 76 9.164 15.056 31.031 647 H1 GLY 195 HN GLY 195 16.999 17.243 26.115 648 HA2 GLY 195 HA2 GLY 195 14.628 17.088 24.519 649 HA3 GLY 195 HA1 GLY 195 14.369 16.325 26.089 650 H SER 196 HN SER 196 12.771 18.030 26.477 651 HA SER 196 HA SER 196 13.659 20.759 26.842 652 HB2 SER 196 HB2 SER 196 11.352 21.100 27.799 653 HB3 SER 196 HB1 SER 196 11.338 20.384 26.187 654 HG SER 196 HG SER 196 9.909 19.341 27.651 655 H ARG 197 HN ARG 197 15.482 20.225 28.190 656 HA ARG 197 HA ARG 197 15.344 19.271 30.853 657 HB2 ARG 197 HB2 ARG 197 17.442 19.395 29.580 658 HB3 ARG 197 HB1 ARG 197 17.315 21.144 29.465 659 HG2 ARG 197 HG2 ARG 197 19.013 20.384 31.105 660 HG3 ARG 197 HG1 ARG 197 17.766 21.400 31.825 661 HD2 ARG 197 HD2 ARG 197 18.413 19.439 33.229 662 HD3 ARG 197 HD1 ARG 197 16.693 19.495 32.845 663 HE ARG 197 HE ARG 197 17.733 17.863 30.915 664 HH11 ARG 197 HH11 ARG 197 17.992 17.813 34.410 665 HH12 ARG 197 HH12 ARG 197 17.979 16.081 34.509 666 HH21 ARG 197 HH21 ARG 197 17.676 15.589 31.057 667 HH22 ARG 197 HH22 ARG 197 17.778 14.824 32.611 668 H GLN 198 HN GLN 198 14.945 22.425 29.412 669 HA GLN 198 HA GLN 198 13.731 23.502 31.887 670 HB2 GLN 198 HB2 GLN 198 15.933 24.566 31.534 671 HB3 GLN 198 HB1 GLN 198 15.544 24.893 29.849 672 HG2 GLN 198 HG2 GLN 198 13.783 26.475 30.562 673 HG3 GLN 198 HG1 GLN 198 14.189 26.163 32.250 674 HE21 GLN 198 HE21 GLN 198 15.331 27.552 29.239 675 HE22 GLN 198 HE22 GLN 198 16.554 28.559 29.935 676 H VAL 199 HN VAL 199 11.946 24.997 31.422 677 HA VAL 199 HA VAL 199 10.233 24.349 29.309 678 HB VAL 199 HB VAL 199 9.275 25.353 31.240 679 HG11 VAL 199 HG11 VAL 199 11.174 26.632 32.091 680 HG12 VAL 199 HG12 VAL 199 9.740 27.655 32.029 681 HG13 VAL 199 HG13 VAL 199 10.994 27.826 30.799 682 HG21 VAL 199 HG21 VAL 199 8.105 25.916 29.131 683 HG22 VAL 199 HG22 VAL 199 9.037 27.407 28.992 684 HG23 VAL 199 HG23 VAL 199 7.901 27.195 30.326 685 H THR 200 HN THR 200 10.629 24.586 27.242 686 HA THR 200 HA THR 200 12.656 26.222 26.105 687 HB THR 200 HB THR 200 10.416 24.796 24.582 688 HG1 THR 200 HG1 THR 200 11.172 22.960 25.261 689 HG21 THR 200 HG21 THR 200 11.958 26.169 23.205 690 HG22 THR 200 HG22 THR 200 12.137 24.452 22.861 691 HG23 THR 200 HG23 THR 200 13.339 25.278 23.853 692 H LYS 201 HN LYS 201 12.486 28.259 25.080 693 HA LYS 201 HA LYS 201 9.816 29.501 24.821 694 HB2 LYS 201 HB2 LYS 201 12.613 30.677 24.732 695 HB3 LYS 201 HB1 LYS 201 11.237 31.582 24.118 696 HG2 LYS 201 HG2 LYS 201 11.705 32.294 26.385 697 HG3 LYS 201 HG1 LYS 201 10.156 31.450 26.355 698 HD2 LYS 201 HD2 LYS 201 11.332 29.393 27.198 699 HD3 LYS 201 HD1 LYS 201 12.811 30.343 27.327 700 HE2 LYS 201 HE2 LYS 201 11.712 31.825 28.970 701 HE3 LYS 201 HE1 LYS 201 10.229 30.872 28.834 702 HZ1 LYS 201 HZ1 LYS 201 12.855 29.919 29.827 703 HZ2 LYS 201 HZ2 LYS 201 11.498 28.936 29.609 704 HZ3 LYS 201 HZ3 LYS 201 11.465 30.188 30.751 705 H VAL 202 HN VAL 202 8.887 29.866 22.908 706 HA VAL 202 HA VAL 202 10.055 28.866 20.407 707 HB VAL 202 HB VAL 202 8.067 27.212 20.231 708 HG11 VAL 202 HG11 VAL 202 10.167 26.616 22.357 709 HG12 VAL 202 HG12 VAL 202 10.340 26.362 20.619 710 HG13 VAL 202 HG13 VAL 202 9.174 25.407 21.536 711 HG21 VAL 202 HG21 VAL 202 6.704 28.154 22.069 712 HG22 VAL 202 HG22 VAL 202 7.928 27.667 23.243 713 HG23 VAL 202 HG23 VAL 202 7.031 26.441 22.341 714 H ASP 203 HN ASP 203 7.909 28.741 18.791 715 HA ASP 203 HA ASP 203 6.571 31.392 19.085 716 HB2 ASP 203 HB2 ASP 203 8.234 31.288 17.193 717 HB3 ASP 203 HB1 ASP 203 7.277 30.016 16.459 718 H CYS 204 HN CYS 204 4.424 31.525 18.897 719 HA CYS 204 HA CYS 204 2.724 29.194 18.637 720 HB2 CYS 204 HB2 CYS 204 2.241 31.069 20.222 721 HB3 CYS 204 HB1 CYS 204 1.998 32.147 18.872 722 HA PRO 205 HA PRO 205 3.573 29.870 14.297 723 HB2 PRO 205 HB2 PRO 205 2.560 27.603 13.182 724 HB3 PRO 205 HB1 PRO 205 3.972 27.571 14.251 725 HG2 PRO 205 HG2 PRO 205 1.082 27.013 14.934 726 HG3 PRO 205 HG1 PRO 205 2.526 26.054 15.329 727 HD2 PRO 205 HD2 PRO 205 1.413 27.769 17.122 728 HD3 PRO 205 HD1 PRO 205 3.169 27.478 17.062 729 H VAL 206 HN VAL 206 0.473 30.144 15.514 730 HA VAL 206 HA VAL 206 -0.856 30.549 12.922 731 HB VAL 206 HB VAL 206 -2.078 30.841 15.711 732 HG11 VAL 206 HG11 VAL 206 -4.243 30.562 14.542 733 HG12 VAL 206 HG12 VAL 206 -3.406 30.468 12.991 734 HG13 VAL 206 HG13 VAL 206 -3.361 31.961 13.929 735 HG21 VAL 206 HG21 VAL 206 -1.207 28.549 15.439 736 HG22 VAL 206 HG22 VAL 206 -2.094 28.369 13.924 737 HG23 VAL 206 HG23 VAL 206 -2.972 28.548 15.447 738 H CYS 207 HN CYS 207 -0.591 32.391 16.008 739 HA CYS 207 HA CYS 207 -1.031 34.927 14.602 740 HB2 CYS 207 HB2 CYS 207 -1.334 35.926 16.778 741 HB3 CYS 207 HB1 CYS 207 -2.215 34.401 16.767 742 H GLY 208 HN GLY 208 1.598 33.059 15.574 743 HA2 GLY 208 HA2 GLY 208 3.843 33.284 15.464 744 HA3 GLY 208 HA1 GLY 208 3.589 34.696 14.477 745 H VAL 209 HN VAL 209 3.156 33.825 17.909 746 HA VAL 209 HA VAL 209 4.744 36.213 18.702 747 HB VAL 209 HB VAL 209 3.473 36.336 20.809 748 HG11 VAL 209 HG11 VAL 209 1.288 37.115 19.934 749 HG12 VAL 209 HG12 VAL 209 1.609 36.306 18.399 750 HG13 VAL 209 HG13 VAL 209 2.625 37.652 18.915 751 HG21 VAL 209 HG21 VAL 209 1.776 34.025 19.761 752 HG22 VAL 209 HG22 VAL 209 1.432 34.970 21.213 753 HG23 VAL 209 HG23 VAL 209 2.879 33.969 21.139 754 H ASN 210 HN ASN 210 6.462 35.871 20.062 755 HA ASN 210 HA ASN 210 7.329 33.115 20.435 756 HB2 ASN 210 HB2 ASN 210 8.908 34.925 19.634 757 HB3 ASN 210 HB1 ASN 210 8.812 35.668 21.225 758 HD21 ASN 210 HD21 ASN 210 9.881 32.834 19.468 759 HD22 ASN 210 HD22 ASN 210 11.015 32.288 20.653 760 H ILE 211 HN ILE 211 6.724 32.043 22.160 761 HA ILE 211 HA ILE 211 6.516 33.234 24.849 762 HB ILE 211 HB ILE 211 4.289 31.954 25.136 763 HG12 ILE 211 HG12 ILE 211 4.460 31.878 22.083 764 HG13 ILE 211 HG11 ILE 211 4.404 30.490 23.165 765 HG21 ILE 211 HG21 ILE 211 4.345 34.415 24.984 766 HG22 ILE 211 HG22 ILE 211 2.895 33.766 24.218 767 HG23 ILE 211 HG23 ILE 211 4.243 34.317 23.223 768 HD11 ILE 211 HD11 ILE 211 2.298 30.803 22.073 769 HD12 ILE 211 HD12 ILE 211 2.194 32.463 22.655 770 HD13 ILE 211 HD13 ILE 211 2.114 31.118 23.798 771 HA PRO 212 HA PRO 212 8.341 29.320 26.190 772 HB2 PRO 212 HB2 PRO 212 6.963 28.860 28.578 773 HB3 PRO 212 HB1 PRO 212 8.338 29.956 28.398 774 HG2 PRO 212 HG2 PRO 212 5.394 30.599 28.378 775 HG3 PRO 212 HG1 PRO 212 6.728 31.449 29.192 776 HD2 PRO 212 HD2 PRO 212 5.702 32.381 26.892 777 HD3 PRO 212 HD1 PRO 212 7.449 32.479 27.206 778 H GLU 213 HN GLU 213 7.769 27.034 26.782 779 HA GLU 213 HA GLU 213 6.305 26.035 24.593 780 HB2 GLU 213 HB2 GLU 213 8.425 25.097 25.486 781 HB3 GLU 213 HB1 GLU 213 7.579 24.553 26.922 782 HG2 GLU 213 HG2 GLU 213 6.235 23.000 25.544 783 HG3 GLU 213 HG1 GLU 213 7.076 23.555 24.097 784 H SER 214 HN SER 214 5.546 26.004 28.079 785 HA SER 214 HA SER 214 3.151 24.474 27.912 786 HB2 SER 214 HB2 SER 214 4.364 24.985 30.054 787 HB3 SER 214 HB1 SER 214 3.810 26.657 29.940 788 HG SER 214 HG SER 214 1.644 25.816 29.994 789 H HIS 215 HN HIS 215 3.816 27.952 27.710 790 HA HIS 215 HA HIS 215 1.118 28.821 27.344 791 HB2 HIS 215 HB2 HIS 215 3.816 30.149 27.010 792 HB3 HIS 215 HB1 HIS 215 2.373 30.971 26.426 793 HD1 HIS 215 HD1 HIS 215 4.069 29.918 29.594 794 HD2 HIS 215 HD2 HIS 215 0.679 31.977 28.393 795 HE1 HIS 215 HE1 HIS 215 3.196 31.026 31.659 796 HE2 HIS 215 HE2 HIS 215 1.062 32.151 30.927 797 H ILE 216 HN ILE 216 3.504 27.546 25.108 798 HA ILE 216 HA ILE 216 2.385 28.776 22.789 799 HB ILE 216 HB ILE 216 4.786 27.734 23.014 800 HG12 ILE 216 HG12 ILE 216 3.806 28.840 20.953 801 HG13 ILE 216 HG11 ILE 216 5.039 27.637 20.618 802 HG21 ILE 216 HG21 ILE 216 5.100 25.483 22.052 803 HG22 ILE 216 HG22 ILE 216 3.356 25.248 21.990 804 HG23 ILE 216 HG23 ILE 216 4.167 25.410 23.539 805 HD11 ILE 216 HD11 ILE 216 2.058 27.308 20.276 806 HD12 ILE 216 HD12 ILE 216 3.244 26.022 20.037 807 HD13 ILE 216 HD13 ILE 216 3.281 27.454 19.013 808 H ASN 217 HN ASN 217 1.997 25.577 24.347 809 HA ASN 217 HA ASN 217 0.144 24.543 22.486 810 HB2 ASN 217 HB2 ASN 217 1.202 23.082 24.148 811 HB3 ASN 217 HB1 ASN 217 0.394 23.938 25.463 812 HD21 ASN 217 HD21 ASN 217 -1.795 23.542 25.842 813 HD22 ASN 217 HD22 ASN 217 -2.674 22.267 25.079 814 H LYS 218 HN LYS 218 -0.329 26.437 25.466 815 HA LYS 218 HA LYS 218 -3.148 26.309 25.543 816 HB2 LYS 218 HB2 LYS 218 -1.712 26.891 27.492 817 HB3 LYS 218 HB1 LYS 218 -1.325 28.432 26.739 818 HG2 LYS 218 HG2 LYS 218 -2.991 29.125 28.185 819 HG3 LYS 218 HG1 LYS 218 -3.976 28.761 26.777 820 HD2 LYS 218 HD2 LYS 218 -3.574 26.939 29.191 821 HD3 LYS 218 HD1 LYS 218 -5.000 27.917 28.878 822 HE2 LYS 218 HE2 LYS 218 -4.048 25.537 27.239 823 HE3 LYS 218 HE1 LYS 218 -5.448 25.579 28.311 824 HZ1 LYS 218 HZ1 LYS 218 -6.118 25.799 26.015 825 HZ2 LYS 218 HZ2 LYS 218 -5.117 27.143 25.802 826 HZ3 LYS 218 HZ3 LYS 218 -6.451 27.245 26.834 827 H HIS 219 HN HIS 219 -0.998 28.855 24.297 828 HA HIS 219 HA HIS 219 -2.987 30.675 23.479 829 HB2 HIS 219 HB2 HIS 219 -0.224 30.782 23.575 830 HB3 HIS 219 HB1 HIS 219 -0.467 30.667 21.839 831 HD2 HIS 219 HD2 HIS 219 -1.678 32.967 24.800 832 HE1 HIS 219 HE1 HIS 219 -1.340 35.298 21.307 833 HE2 HIS 219 HE2 HIS 219 -1.840 35.320 23.774 834 H LEU 220 HN LEU 220 -1.372 27.971 21.882 835 HA LEU 220 HA LEU 220 -2.403 28.257 19.304 836 HB2 LEU 220 HB2 LEU 220 -0.521 26.811 19.781 837 HB3 LEU 220 HB1 LEU 220 -1.503 25.823 20.853 838 HG LEU 220 HG LEU 220 -2.864 25.089 18.900 839 HD11 LEU 220 HD11 LEU 220 -2.129 25.546 16.616 840 HD12 LEU 220 HD12 LEU 220 -0.863 26.619 17.215 841 HD13 LEU 220 HD13 LEU 220 -2.562 27.039 17.443 842 HD21 LEU 220 HD21 LEU 220 -0.949 23.762 19.713 843 HD22 LEU 220 HD22 LEU 220 0.096 24.582 18.550 844 HD23 LEU 220 HD23 LEU 220 -1.230 23.564 17.988 845 H ASP 221 HN ASP 221 -3.693 26.501 22.175 846 HA ASP 221 HA ASP 221 -5.885 25.201 21.053 847 HB2 ASP 221 HB2 ASP 221 -5.554 26.447 23.818 848 HB3 ASP 221 HB1 ASP 221 -6.979 25.528 23.376 849 H SER 222 HN SER 222 -5.527 28.521 22.144 850 HA SER 222 HA SER 222 -8.254 29.330 21.630 851 HB2 SER 222 HB2 SER 222 -6.893 30.462 23.350 852 HB3 SER 222 HB1 SER 222 -5.724 30.968 22.130 853 HG SER 222 HG SER 222 -8.468 31.705 22.019 854 H CYS 223 HN CYS 223 -5.169 29.485 19.926 855 HA CYS 223 HA CYS 223 -6.031 31.345 17.922 856 HB2 CYS 223 HB2 CYS 223 -3.446 29.834 18.385 857 HB3 CYS 223 HB1 CYS 223 -3.677 30.913 17.011 858 H LEU 224 HN LEU 224 -6.151 27.891 18.178 859 HA LEU 224 HA LEU 224 -6.217 27.482 15.270 860 HB2 LEU 224 HB2 LEU 224 -6.203 25.084 15.720 861 HB3 LEU 224 HB1 LEU 224 -4.923 25.892 16.604 862 HG LEU 224 HG LEU 224 -6.487 25.738 18.677 863 HD11 LEU 224 HD11 LEU 224 -8.583 25.071 17.623 864 HD12 LEU 224 HD12 LEU 224 -8.042 23.827 18.744 865 HD13 LEU 224 HD13 LEU 224 -7.838 23.595 17.006 866 HD21 LEU 224 HD21 LEU 224 -4.412 24.479 18.445 867 HD22 LEU 224 HD22 LEU 224 -5.246 23.220 17.530 868 HD23 LEU 224 HD23 LEU 224 -5.648 23.498 19.226 869 H SER 225 HN SER 225 -8.364 28.400 17.645 870 HA SER 225 HA SER 225 -10.748 27.069 16.772 871 HB2 SER 225 HB2 SER 225 -10.485 28.143 19.049 872 HB3 SER 225 HB1 SER 225 -10.522 29.723 18.268 873 HG SER 225 HG SER 225 -12.567 28.069 18.914 874 H ARG 226 HN ARG 226 -10.821 27.236 14.563 875 HA ARG 226 HA ARG 226 -10.889 29.906 13.279 876 HB2 ARG 226 HB2 ARG 226 -9.979 27.205 12.197 877 HB3 ARG 226 HB1 ARG 226 -10.106 28.665 11.218 878 HG2 ARG 226 HG2 ARG 226 -8.357 29.759 12.481 879 HG3 ARG 226 HG1 ARG 226 -8.337 28.462 13.677 880 HD2 ARG 226 HD2 ARG 226 -6.420 28.342 12.099 881 HD3 ARG 226 HD1 ARG 226 -7.438 26.899 12.047 882 HE ARG 226 HE ARG 226 -8.492 27.934 10.007 883 HH11 ARG 226 HH11 ARG 226 -5.172 28.682 10.834 884 HH12 ARG 226 HH12 ARG 226 -4.740 29.062 9.197 885 HH21 ARG 226 HH21 ARG 226 -7.926 28.411 7.917 886 HH22 ARG 226 HH22 ARG 226 -6.307 28.918 7.540 887 H GLU 227 HN GLU 227 -12.559 30.397 11.913 888 HA GLU 227 HA GLU 227 -14.687 28.420 11.390 889 HB2 GLU 227 HB2 GLU 227 -16.354 30.319 12.071 890 HB3 GLU 227 HB1 GLU 227 -15.602 29.363 13.339 891 HG2 GLU 227 HG2 GLU 227 -14.039 31.149 13.859 892 HG3 GLU 227 HG1 GLU 227 -14.584 32.089 12.471 Start of MODEL 7 1 H1 GLY -2 HT1 GLY -2 0.026 4.442 -2.210 2 H2 GLY -2 HT2 GLY -2 0.761 2.960 -2.527 3 H3 GLY -2 HT3 GLY -2 -0.701 3.352 -3.274 4 HA2 GLY -2 HA1 GLY -2 1.088 3.602 -4.833 5 HA3 GLY -2 HA2 GLY -2 0.372 5.164 -4.463 6 H SER -1 HN SER -1 2.554 5.808 -5.370 7 HA SER -1 HA SER -1 4.914 5.433 -3.828 8 HB2 SER -1 HB2 SER -1 4.905 6.021 -6.266 9 HB3 SER -1 HB1 SER -1 4.332 7.636 -5.855 10 HG SER -1 HG SER -1 6.261 8.156 -5.134 11 H HIS 0 HN HIS 0 5.524 6.418 -2.019 12 HA HIS 0 HA HIS 0 3.730 8.260 -0.682 13 HB2 HIS 0 HB2 HIS 0 6.212 6.732 0.173 14 HB3 HIS 0 HB1 HIS 0 5.420 7.898 1.228 15 HD1 HIS 0 HD1 HIS 0 4.099 5.001 -0.888 16 HD2 HIS 0 HD2 HIS 0 3.851 6.535 2.959 17 HE1 HIS 0 HE1 HIS 0 2.529 3.487 0.339 18 HE2 HIS 0 HE2 HIS 0 2.603 4.295 2.719 19 H MET 1 HN MET 1 3.938 10.360 -0.746 20 HA MET 1 HA MET 1 6.158 11.706 -2.023 21 HB2 MET 1 HB2 MET 1 3.717 12.958 -0.694 22 HB3 MET 1 HB1 MET 1 4.762 13.691 -1.905 23 HG2 MET 1 HG2 MET 1 2.913 11.340 -2.371 24 HG3 MET 1 HG1 MET 1 2.605 13.011 -2.850 25 HE1 MET 1 HE1 MET 1 2.510 10.415 -4.801 26 HE2 MET 1 HE2 MET 1 3.269 11.093 -6.240 27 HE3 MET 1 HE3 MET 1 2.103 12.051 -5.328 28 H GLN 2 HN GLN 2 7.230 13.545 -1.023 29 HA GLN 2 HA GLN 2 7.746 13.189 1.849 30 HB2 GLN 2 HB2 GLN 2 9.484 14.137 -0.434 31 HB3 GLN 2 HB1 GLN 2 9.891 14.563 1.226 32 HG2 GLN 2 HG2 GLN 2 10.176 12.273 1.850 33 HG3 GLN 2 HG1 GLN 2 9.453 11.700 0.362 34 HE21 GLN 2 HE21 GLN 2 12.056 11.070 1.533 35 HE22 GLN 2 HE22 GLN 2 13.233 11.478 0.336 36 H ILE 3 HN ILE 3 7.102 14.656 3.215 37 HA ILE 3 HA ILE 3 6.492 17.419 2.342 38 HB ILE 3 HB ILE 3 4.644 17.494 4.062 39 HG12 ILE 3 HG12 ILE 3 5.434 15.396 5.350 40 HG13 ILE 3 HG11 ILE 3 3.703 15.538 5.087 41 HG21 ILE 3 HG21 ILE 3 4.097 17.299 1.706 42 HG22 ILE 3 HG22 ILE 3 2.944 16.370 2.667 43 HG23 ILE 3 HG23 ILE 3 4.225 15.540 1.780 44 HD11 ILE 3 HD11 ILE 3 5.572 13.785 3.480 45 HD12 ILE 3 HD12 ILE 3 3.821 13.892 3.287 46 HD13 ILE 3 HD13 ILE 3 4.507 13.249 4.776 47 H PHE 4 HN PHE 4 6.588 19.006 4.051 48 HA PHE 4 HA PHE 4 8.862 18.420 5.883 49 HB2 PHE 4 HB2 PHE 4 8.060 21.097 4.643 50 HB3 PHE 4 HB1 PHE 4 9.485 20.793 5.632 51 HD1 PHE 4 HD2 PHE 4 11.122 18.920 4.718 52 HD2 PHE 4 HD1 PHE 4 8.296 21.026 2.289 53 HE1 PHE 4 HE2 PHE 4 12.411 18.356 2.706 54 HE2 PHE 4 HE1 PHE 4 9.596 20.445 0.282 55 HZ PHE 4 HZ PHE 4 11.656 19.112 0.491 56 H VAL 5 HN VAL 5 7.939 18.009 7.826 57 HA VAL 5 HA VAL 5 5.970 19.909 8.956 58 HB VAL 5 HB VAL 5 6.769 17.092 9.873 59 HG11 VAL 5 HG11 VAL 5 4.904 17.285 11.508 60 HG12 VAL 5 HG12 VAL 5 4.648 18.965 11.023 61 HG13 VAL 5 HG13 VAL 5 6.158 18.489 11.798 62 HG21 VAL 5 HG21 VAL 5 4.151 18.078 8.631 63 HG22 VAL 5 HG22 VAL 5 4.477 16.435 9.185 64 HG23 VAL 5 HG23 VAL 5 5.373 17.099 7.821 65 H LYS 6 HN LYS 6 7.151 21.540 9.801 66 HA LYS 6 HA LYS 6 9.837 21.056 10.906 67 HB2 LYS 6 HB2 LYS 6 9.426 22.675 8.991 68 HB3 LYS 6 HB1 LYS 6 8.522 23.685 10.124 69 HG2 LYS 6 HG2 LYS 6 10.492 24.074 11.463 70 HG3 LYS 6 HG1 LYS 6 11.424 22.896 10.529 71 HD2 LYS 6 HD2 LYS 6 11.134 24.344 8.505 72 HD3 LYS 6 HD1 LYS 6 10.325 25.545 9.519 73 HE2 LYS 6 HE2 LYS 6 12.377 25.747 10.890 74 HE3 LYS 6 HE1 LYS 6 13.173 24.559 9.851 75 HZ1 LYS 6 HZ1 LYS 6 12.930 26.050 7.992 76 HZ2 LYS 6 HZ2 LYS 6 13.734 26.834 9.253 77 HZ3 LYS 6 HZ3 LYS 6 12.114 27.177 8.949 78 H THR 7 HN THR 7 10.100 21.085 13.043 79 HA THR 7 HA THR 7 8.085 21.740 14.902 80 HB THR 7 HB THR 7 9.938 21.461 16.642 81 HG1 THR 7 HG1 THR 7 11.947 20.762 15.878 82 HG21 THR 7 HG21 THR 7 9.604 19.227 14.620 83 HG22 THR 7 HG22 THR 7 8.588 19.529 16.026 84 HG23 THR 7 HG23 THR 7 10.267 19.033 16.241 85 H LEU 8 HN LEU 8 8.336 23.224 16.694 86 HA LEU 8 HA LEU 8 8.737 25.933 15.918 87 HB2 LEU 8 HB2 LEU 8 8.430 24.776 18.707 88 HB3 LEU 8 HB1 LEU 8 8.162 26.449 18.240 89 HG LEU 8 HG LEU 8 6.476 24.060 17.428 90 HD11 LEU 8 HD11 LEU 8 5.879 26.385 19.276 91 HD12 LEU 8 HD12 LEU 8 6.142 24.703 19.745 92 HD13 LEU 8 HD13 LEU 8 4.728 25.135 18.789 93 HD21 LEU 8 HD21 LEU 8 4.956 25.692 16.360 94 HD22 LEU 8 HD22 LEU 8 6.533 25.656 15.578 95 HD23 LEU 8 HD23 LEU 8 6.127 26.979 16.676 96 H THR 9 HN THR 9 10.882 23.555 17.196 97 HA THR 9 HA THR 9 12.863 25.369 18.271 98 HB THR 9 HB THR 9 14.306 23.263 18.319 99 HG1 THR 9 HG1 THR 9 13.436 21.356 17.657 100 HG21 THR 9 HG21 THR 9 12.970 23.896 20.300 101 HG22 THR 9 HG22 THR 9 13.019 22.143 20.114 102 HG23 THR 9 HG23 THR 9 11.572 23.037 19.645 103 H GLY 10 HN GLY 10 11.866 24.781 15.158 104 HA2 GLY 10 HA2 GLY 10 12.686 25.811 13.252 105 HA3 GLY 10 HA1 GLY 10 14.237 26.050 14.041 106 H LYS 11 HN LYS 11 13.101 22.877 14.349 107 HA LYS 11 HA LYS 11 15.053 21.875 12.392 108 HB2 LYS 11 HB2 LYS 11 15.559 20.605 14.212 109 HB3 LYS 11 HB1 LYS 11 14.056 20.995 15.027 110 HG2 LYS 11 HG2 LYS 11 12.933 19.209 13.659 111 HG3 LYS 11 HG1 LYS 11 14.523 18.759 13.025 112 HD2 LYS 11 HD2 LYS 11 15.289 18.216 15.307 113 HD3 LYS 11 HD1 LYS 11 13.752 18.771 15.977 114 HE2 LYS 11 HE2 LYS 11 13.848 16.318 15.855 115 HE3 LYS 11 HE1 LYS 11 12.569 16.967 14.829 116 HZ1 LYS 11 HZ1 LYS 11 14.001 16.690 12.917 117 HZ2 LYS 11 HZ2 LYS 11 13.817 15.220 13.725 118 HZ3 LYS 11 HZ3 LYS 11 15.248 16.104 13.890 119 H THR 12 HN THR 12 14.453 20.485 10.725 120 HA THR 12 HA THR 12 11.564 20.497 10.037 121 HB THR 12 HB THR 12 13.947 20.138 8.168 122 HG1 THR 12 HG1 THR 12 13.175 22.361 7.548 123 HG21 THR 12 HG21 THR 12 11.822 19.146 7.297 124 HG22 THR 12 HG22 THR 12 12.298 20.562 6.361 125 HG23 THR 12 HG23 THR 12 10.999 20.688 7.551 126 H ILE 13 HN ILE 13 10.505 18.634 9.688 127 HA ILE 13 HA ILE 13 11.939 16.038 9.826 128 HB ILE 13 HB ILE 13 9.148 16.690 10.849 129 HG12 ILE 13 HG12 ILE 13 10.324 15.764 13.050 130 HG13 ILE 13 HG11 ILE 13 11.812 16.164 12.211 131 HG21 ILE 13 HG21 ILE 13 9.165 14.446 9.865 132 HG22 ILE 13 HG22 ILE 13 9.025 14.343 11.618 133 HG23 ILE 13 HG23 ILE 13 10.571 14.002 10.834 134 HD11 ILE 13 HD11 ILE 13 9.605 18.097 12.890 135 HD12 ILE 13 HD12 ILE 13 11.122 18.493 12.079 136 HD13 ILE 13 HD13 ILE 13 11.138 17.913 13.741 137 H THR 14 HN THR 14 12.097 15.294 7.792 138 HA THR 14 HA THR 14 9.995 15.666 5.805 139 HB THR 14 HB THR 14 12.598 14.071 5.658 140 HG1 THR 14 HG1 THR 14 12.785 16.393 5.887 141 HG21 THR 14 HG21 THR 14 10.701 14.890 3.413 142 HG22 THR 14 HG22 THR 14 10.966 13.242 3.982 143 HG23 THR 14 HG23 THR 14 12.274 14.122 3.191 144 H LEU 15 HN LEU 15 8.308 14.313 5.659 145 HA LEU 15 HA LEU 15 8.482 11.533 6.701 146 HB2 LEU 15 HB2 LEU 15 5.926 13.098 6.113 147 HB3 LEU 15 HB1 LEU 15 6.040 11.512 6.845 148 HG LEU 15 HG LEU 15 5.506 12.999 8.615 149 HD11 LEU 15 HD11 LEU 15 7.284 11.381 9.174 150 HD12 LEU 15 HD12 LEU 15 7.368 12.845 10.142 151 HD13 LEU 15 HD13 LEU 15 8.505 12.603 8.810 152 HD21 LEU 15 HD21 LEU 15 6.697 15.064 9.112 153 HD22 LEU 15 HD22 LEU 15 6.032 15.106 7.479 154 HD23 LEU 15 HD23 LEU 15 7.757 14.819 7.720 155 H GLU 16 HN GLU 16 7.330 9.938 5.441 156 HA GLU 16 HA GLU 16 7.264 10.483 2.529 157 HB2 GLU 16 HB2 GLU 16 8.389 8.039 3.985 158 HB3 GLU 16 HB1 GLU 16 8.203 8.162 2.236 159 HG2 GLU 16 HG2 GLU 16 9.907 9.785 2.030 160 HG3 GLU 16 HG1 GLU 16 9.839 10.215 3.737 161 H VAL 17 HN VAL 17 5.018 10.847 2.794 162 HA VAL 17 HA VAL 17 3.365 8.409 2.899 163 HB VAL 17 HB VAL 17 1.630 9.328 4.314 164 HG11 VAL 17 HG11 VAL 17 2.712 9.488 6.504 165 HG12 VAL 17 HG12 VAL 17 4.277 9.733 5.727 166 HG13 VAL 17 HG13 VAL 17 3.424 8.200 5.529 167 HG21 VAL 17 HG21 VAL 17 1.745 11.692 3.670 168 HG22 VAL 17 HG22 VAL 17 3.257 11.884 4.560 169 HG23 VAL 17 HG23 VAL 17 1.762 11.533 5.428 170 H GLU 18 HN GLU 18 1.026 9.072 2.261 171 HA GLU 18 HA GLU 18 1.266 10.590 -0.249 172 HB2 GLU 18 HB2 GLU 18 -1.161 8.930 0.533 173 HB3 GLU 18 HB1 GLU 18 -0.508 9.257 -1.072 174 HG2 GLU 18 HG2 GLU 18 1.522 7.839 -0.364 175 HG3 GLU 18 HG1 GLU 18 0.539 7.379 1.027 176 HA PRO 19 HA PRO 19 -1.175 14.012 1.421 177 HB2 PRO 19 HB2 PRO 19 -2.592 14.793 -0.841 178 HB3 PRO 19 HB1 PRO 19 -0.912 15.239 -0.520 179 HG2 PRO 19 HG2 PRO 19 -1.980 13.006 -2.235 180 HG3 PRO 19 HG1 PRO 19 -0.662 14.148 -2.575 181 HD2 PRO 19 HD2 PRO 19 -0.148 11.629 -1.763 182 HD3 PRO 19 HD1 PRO 19 0.863 12.989 -1.219 183 H SER 20 HN SER 20 -2.683 11.277 -0.211 184 HA SER 20 HA SER 20 -5.350 11.929 0.914 185 HB2 SER 20 HB2 SER 20 -5.195 11.462 -1.549 186 HB3 SER 20 HB1 SER 20 -4.592 9.846 -1.188 187 HG SER 20 HG SER 20 -6.593 9.444 -0.115 188 H ASP 21 HN ASP 21 -2.836 10.700 2.283 189 HA ASP 21 HA ASP 21 -3.604 7.992 2.918 190 HB2 ASP 21 HB2 ASP 21 -1.202 8.866 2.747 191 HB3 ASP 21 HB1 ASP 21 -1.453 9.653 4.298 192 H THR 22 HN THR 22 -2.592 9.952 5.647 193 HA THR 22 HA THR 22 -5.084 10.833 6.669 194 HB THR 22 HB THR 22 -4.762 9.297 8.891 195 HG1 THR 22 HG1 THR 22 -3.415 7.915 6.890 196 HG21 THR 22 HG21 THR 22 -6.294 8.235 6.489 197 HG22 THR 22 HG22 THR 22 -6.906 9.400 7.661 198 HG23 THR 22 HG23 THR 22 -6.535 7.753 8.169 199 H ILE 23 HN ILE 23 -4.752 12.273 8.362 200 HA ILE 23 HA ILE 23 -2.192 13.342 8.899 201 HB ILE 23 HB ILE 23 -4.793 13.667 10.474 202 HG12 ILE 23 HG12 ILE 23 -5.018 14.486 8.161 203 HG13 ILE 23 HG11 ILE 23 -5.036 15.841 9.279 204 HG21 ILE 23 HG21 ILE 23 -2.275 15.365 10.698 205 HG22 ILE 23 HG22 ILE 23 -2.925 14.285 11.930 206 HG23 ILE 23 HG23 ILE 23 -3.826 15.726 11.466 207 HD11 ILE 23 HD11 ILE 23 -2.692 14.970 7.593 208 HD12 ILE 23 HD12 ILE 23 -2.714 16.345 8.703 209 HD13 ILE 23 HD13 ILE 23 -3.756 16.340 7.281 210 H GLU 24 HN GLU 24 -4.237 11.045 10.634 211 HA GLU 24 HA GLU 24 -2.875 10.776 13.069 212 HB2 GLU 24 HB2 GLU 24 -5.154 9.841 12.425 213 HB3 GLU 24 HB1 GLU 24 -4.324 8.559 11.556 214 HG2 GLU 24 HG2 GLU 24 -3.361 7.715 13.642 215 HG3 GLU 24 HG1 GLU 24 -4.059 9.065 14.540 216 H ASN 25 HN ASN 25 -2.311 9.290 9.936 217 HA ASN 25 HA ASN 25 -0.229 7.496 10.717 218 HB2 ASN 25 HB2 ASN 25 -1.573 7.279 8.620 219 HB3 ASN 25 HB1 ASN 25 -0.789 8.701 7.973 220 HD21 ASN 25 HD21 ASN 25 -0.219 5.393 9.034 221 HD22 ASN 25 HD22 ASN 25 1.225 5.146 8.118 222 H VAL 26 HN VAL 26 -0.318 10.731 9.290 223 HA VAL 26 HA VAL 26 2.406 11.145 8.792 224 HB VAL 26 HB VAL 26 0.341 13.277 9.543 225 HG11 VAL 26 HG11 VAL 26 3.010 13.628 8.107 226 HG12 VAL 26 HG12 VAL 26 2.626 14.184 9.736 227 HG13 VAL 26 HG13 VAL 26 1.800 14.896 8.350 228 HG21 VAL 26 HG21 VAL 26 -0.359 11.937 7.596 229 HG22 VAL 26 HG22 VAL 26 1.170 12.278 6.789 230 HG23 VAL 26 HG23 VAL 26 0.034 13.587 7.114 231 H LYS 27 HN LYS 27 0.519 11.832 11.744 232 HA LYS 27 HA LYS 27 2.700 13.004 13.184 233 HB2 LYS 27 HB2 LYS 27 1.217 12.999 15.117 234 HB3 LYS 27 HB1 LYS 27 0.387 13.595 13.689 235 HG2 LYS 27 HG2 LYS 27 -0.730 11.381 13.460 236 HG3 LYS 27 HG1 LYS 27 0.050 10.864 14.958 237 HD2 LYS 27 HD2 LYS 27 -2.227 11.593 15.440 238 HD3 LYS 27 HD1 LYS 27 -1.082 12.716 16.175 239 HE2 LYS 27 HE2 LYS 27 -1.416 14.227 14.165 240 HE3 LYS 27 HE1 LYS 27 -2.696 13.135 13.640 241 HZ1 LYS 27 HZ1 LYS 27 -2.657 14.611 16.217 242 HZ2 LYS 27 HZ2 LYS 27 -3.884 13.578 15.688 243 HZ3 LYS 27 HZ3 LYS 27 -3.583 15.023 14.863 244 H ALA 28 HN ALA 28 1.390 9.717 12.939 245 HA ALA 28 HA ALA 28 3.044 8.452 14.863 246 HB1 ALA 28 HB1 ALA 28 2.602 6.381 13.594 247 HB2 ALA 28 HB2 ALA 28 1.962 7.333 12.250 248 HB3 ALA 28 HB3 ALA 28 1.127 7.327 13.803 249 H LYS 29 HN LYS 29 3.634 9.532 11.552 250 HA LYS 29 HA LYS 29 6.134 8.194 11.185 251 HB2 LYS 29 HB2 LYS 29 5.137 10.670 9.723 252 HB3 LYS 29 HB1 LYS 29 6.459 9.631 9.216 253 HG2 LYS 29 HG2 LYS 29 3.513 8.977 9.254 254 HG3 LYS 29 HG1 LYS 29 4.535 9.234 7.853 255 HD2 LYS 29 HD2 LYS 29 4.632 6.960 7.768 256 HD3 LYS 29 HD1 LYS 29 5.836 7.117 9.045 257 HE2 LYS 29 HE2 LYS 29 4.032 6.808 10.735 258 HE3 LYS 29 HE1 LYS 29 2.867 6.606 9.425 259 HZ1 LYS 29 HZ1 LYS 29 3.620 4.494 10.316 260 HZ2 LYS 29 HZ2 LYS 29 5.216 4.869 9.921 261 HZ3 LYS 29 HZ3 LYS 29 4.071 4.659 8.697 262 H ILE 30 HN ILE 30 5.241 11.487 12.352 263 HA ILE 30 HA ILE 30 7.790 12.526 12.803 264 HB ILE 30 HB ILE 30 5.111 12.942 14.144 265 HG12 ILE 30 HG12 ILE 30 5.697 15.404 13.479 266 HG13 ILE 30 HG11 ILE 30 7.033 14.702 12.580 267 HG21 ILE 30 HG21 ILE 30 6.009 14.645 15.709 268 HG22 ILE 30 HG22 ILE 30 7.649 14.150 15.286 269 HG23 ILE 30 HG23 ILE 30 6.567 13.015 16.093 270 HD11 ILE 30 HD11 ILE 30 5.449 13.448 11.210 271 HD12 ILE 30 HD12 ILE 30 5.164 15.187 11.145 272 HD13 ILE 30 HD13 ILE 30 4.113 14.160 12.119 273 H GLN 31 HN GLN 31 5.838 10.407 14.900 274 HA GLN 31 HA GLN 31 7.728 10.107 16.998 275 HB2 GLN 31 HB2 GLN 31 5.272 9.625 17.156 276 HB3 GLN 31 HB1 GLN 31 5.505 8.196 16.156 277 HG2 GLN 31 HG2 GLN 31 6.901 7.180 17.885 278 HG3 GLN 31 HG1 GLN 31 6.803 8.643 18.858 279 HE21 GLN 31 HE21 GLN 31 4.040 7.235 17.136 280 HE22 GLN 31 HE22 GLN 31 3.161 6.800 18.555 281 H ASP 32 HN ASP 32 7.467 8.626 13.872 282 HA ASP 32 HA ASP 32 9.336 6.454 14.339 283 HB2 ASP 32 HB2 ASP 32 7.518 6.181 12.723 284 HB3 ASP 32 HB1 ASP 32 8.054 7.585 11.816 285 H LYS 33 HN LYS 33 9.501 9.800 13.222 286 HA LYS 33 HA LYS 33 12.177 9.463 12.029 287 HB2 LYS 33 HB2 LYS 33 10.329 11.886 12.139 288 HB3 LYS 33 HB1 LYS 33 11.910 11.891 11.365 289 HG2 LYS 33 HG2 LYS 33 9.592 10.124 10.540 290 HG3 LYS 33 HG1 LYS 33 9.995 11.670 9.792 291 HD2 LYS 33 HD2 LYS 33 12.152 10.787 9.049 292 HD3 LYS 33 HD1 LYS 33 11.832 9.245 9.861 293 HE2 LYS 33 HE2 LYS 33 9.833 8.944 8.377 294 HE3 LYS 33 HE1 LYS 33 10.290 10.418 7.520 295 HZ1 LYS 33 HZ1 LYS 33 11.065 8.452 6.366 296 HZ2 LYS 33 HZ2 LYS 33 11.920 7.947 7.729 297 HZ3 LYS 33 HZ3 LYS 33 12.383 9.352 6.920 298 H GLU 34 HN GLU 34 10.758 11.984 14.174 299 HA GLU 34 HA GLU 34 13.393 12.507 15.297 300 HB2 GLU 34 HB2 GLU 34 12.372 14.467 16.343 301 HB3 GLU 34 HB1 GLU 34 12.049 14.423 14.617 302 HG2 GLU 34 HG2 GLU 34 9.750 13.666 15.055 303 HG3 GLU 34 HG1 GLU 34 10.067 13.662 16.789 304 H GLY 35 HN GLY 35 10.419 10.952 16.233 305 HA2 GLY 35 HA2 GLY 35 10.276 9.254 17.828 306 HA3 GLY 35 HA1 GLY 35 11.777 9.804 18.557 307 H ILE 36 HN ILE 36 8.968 11.826 17.823 308 HA ILE 36 HA ILE 36 8.488 12.197 20.721 309 HB ILE 36 HB ILE 36 8.224 14.194 18.427 310 HG12 ILE 36 HG12 ILE 36 9.430 15.718 20.096 311 HG13 ILE 36 HG11 ILE 36 9.578 14.346 21.180 312 HG21 ILE 36 HG21 ILE 36 6.885 14.459 21.158 313 HG22 ILE 36 HG22 ILE 36 6.072 14.326 19.598 314 HG23 ILE 36 HG23 ILE 36 7.027 15.761 19.970 315 HD11 ILE 36 HD11 ILE 36 11.007 13.225 19.535 316 HD12 ILE 36 HD12 ILE 36 11.645 14.794 20.023 317 HD13 ILE 36 HD13 ILE 36 10.845 14.617 18.464 318 HA PRO 37 HA PRO 37 4.714 9.929 19.889 319 HB2 PRO 37 HB2 PRO 37 3.426 10.308 22.284 320 HB3 PRO 37 HB1 PRO 37 4.826 9.243 22.112 321 HG2 PRO 37 HG2 PRO 37 4.728 12.098 23.090 322 HG3 PRO 37 HG1 PRO 37 5.577 10.703 23.797 323 HD2 PRO 37 HD2 PRO 37 6.868 12.524 22.264 324 HD3 PRO 37 HD1 PRO 37 7.317 10.810 22.238 325 HA PRO 38 HA PRO 38 1.760 12.770 18.127 326 HB2 PRO 38 HB2 PRO 38 -0.615 11.341 18.344 327 HB3 PRO 38 HB1 PRO 38 0.641 11.009 17.143 328 HG2 PRO 38 HG2 PRO 38 0.179 9.680 19.814 329 HG3 PRO 38 HG1 PRO 38 0.507 8.932 18.234 330 HD2 PRO 38 HD2 PRO 38 2.467 9.201 20.032 331 HD3 PRO 38 HD1 PRO 38 2.794 9.484 18.306 332 H ASP 39 HN ASP 39 1.387 11.833 21.425 333 HA ASP 39 HA ASP 39 -0.760 13.635 22.119 334 HB2 ASP 39 HB2 ASP 39 -0.238 11.599 23.459 335 HB3 ASP 39 HB1 ASP 39 1.330 12.273 23.891 336 H GLN 40 HN GLN 40 2.789 13.715 22.213 337 HA GLN 40 HA GLN 40 2.920 16.280 23.582 338 HB2 GLN 40 HB2 GLN 40 4.878 14.147 22.790 339 HB3 GLN 40 HB1 GLN 40 5.527 15.777 22.874 340 HG2 GLN 40 HG2 GLN 40 5.697 14.263 24.971 341 HG3 GLN 40 HG1 GLN 40 5.234 15.945 25.174 342 HE21 GLN 40 HE21 GLN 40 4.067 12.650 25.227 343 HE22 GLN 40 HE22 GLN 40 2.598 12.973 26.079 344 H GLN 41 HN GLN 41 3.372 15.059 20.315 345 HA GLN 41 HA GLN 41 4.116 17.703 19.321 346 HB2 GLN 41 HB2 GLN 41 4.352 16.572 17.139 347 HB3 GLN 41 HB1 GLN 41 5.312 15.835 18.402 348 HG2 GLN 41 HG2 GLN 41 4.546 13.932 17.411 349 HG3 GLN 41 HG1 GLN 41 3.228 14.180 18.541 350 HE21 GLN 41 HE21 GLN 41 4.236 14.652 15.225 351 HE22 GLN 41 HE22 GLN 41 2.663 14.675 14.537 352 H ARG 42 HN ARG 42 2.835 18.889 17.816 353 HA ARG 42 HA ARG 42 -0.034 18.183 17.599 354 HB2 ARG 42 HB2 ARG 42 0.595 19.805 19.522 355 HB3 ARG 42 HB1 ARG 42 0.986 20.974 18.273 356 HG2 ARG 42 HG2 ARG 42 -1.341 20.985 17.511 357 HG3 ARG 42 HG1 ARG 42 -1.746 19.732 18.691 358 HD2 ARG 42 HD2 ARG 42 -0.903 21.344 20.489 359 HD3 ARG 42 HD1 ARG 42 -0.899 22.593 19.236 360 HE ARG 42 HE ARG 42 -3.390 21.629 19.038 361 HH11 ARG 42 HH11 ARG 42 -1.617 22.774 21.831 362 HH12 ARG 42 HH12 ARG 42 -3.046 23.194 22.710 363 HH21 ARG 42 HH21 ARG 42 -5.257 22.146 20.223 364 HH22 ARG 42 HH22 ARG 42 -5.109 22.827 21.815 365 H LEU 43 HN LEU 43 -0.865 18.589 15.599 366 HA LEU 43 HA LEU 43 0.981 19.513 13.504 367 HB2 LEU 43 HB2 LEU 43 -1.501 17.778 13.511 368 HB3 LEU 43 HB1 LEU 43 -0.990 18.538 12.021 369 HG LEU 43 HG LEU 43 -0.190 16.256 12.070 370 HD11 LEU 43 HD11 LEU 43 2.120 18.183 12.475 371 HD12 LEU 43 HD12 LEU 43 1.217 17.950 10.979 372 HD13 LEU 43 HD13 LEU 43 2.184 16.628 11.633 373 HD21 LEU 43 HD21 LEU 43 -0.153 15.899 14.490 374 HD22 LEU 43 HD22 LEU 43 1.251 16.960 14.647 375 HD23 LEU 43 HD23 LEU 43 1.383 15.439 13.761 376 H ILE 44 HN ILE 44 0.781 21.492 12.673 377 HA ILE 44 HA ILE 44 -1.862 22.730 12.368 378 HB ILE 44 HB ILE 44 0.506 24.107 13.728 379 HG12 ILE 44 HG12 ILE 44 -2.347 23.697 14.777 380 HG13 ILE 44 HG11 ILE 44 -1.014 22.613 15.143 381 HG21 ILE 44 HG21 ILE 44 -0.891 26.170 13.838 382 HG22 ILE 44 HG22 ILE 44 -2.112 25.389 12.827 383 HG23 ILE 44 HG23 ILE 44 -0.505 25.717 12.178 384 HD11 ILE 44 HD11 ILE 44 -1.158 25.512 15.903 385 HD12 ILE 44 HD12 ILE 44 0.144 24.382 16.298 386 HD13 ILE 44 HD13 ILE 44 -1.472 24.130 16.953 387 H PHE 45 HN PHE 45 -2.050 23.173 10.276 388 HA PHE 45 HA PHE 45 0.256 24.210 8.709 389 HB2 PHE 45 HB2 PHE 45 -0.475 22.033 7.836 390 HB3 PHE 45 HB1 PHE 45 -2.148 22.566 7.791 391 HD1 PHE 45 HD2 PHE 45 1.206 23.120 6.230 392 HD2 PHE 45 HD1 PHE 45 -3.020 23.696 5.839 393 HE1 PHE 45 HE2 PHE 45 1.517 23.822 3.897 394 HE2 PHE 45 HE1 PHE 45 -2.693 24.401 3.505 395 HZ PHE 45 HZ PHE 45 -0.432 24.464 2.529 396 H ALA 46 HN ALA 46 0.007 26.286 8.111 397 HA ALA 46 HA ALA 46 -0.831 28.285 7.473 398 HB1 ALA 46 HB1 ALA 46 -3.286 26.703 6.631 399 HB2 ALA 46 HB2 ALA 46 -1.840 26.948 5.651 400 HB3 ALA 46 HB3 ALA 46 -2.856 28.327 6.076 401 H GLY 47 HN GLY 47 -1.464 27.192 10.249 402 HA2 GLY 47 HA2 GLY 47 -2.124 28.515 12.074 403 HA3 GLY 47 HA1 GLY 47 -3.196 29.438 11.036 404 H LYS 48 HN LYS 48 -3.757 26.211 10.366 405 HA LYS 48 HA LYS 48 -5.960 25.994 12.364 406 HB2 LYS 48 HB2 LYS 48 -7.263 24.821 10.733 407 HB3 LYS 48 HB1 LYS 48 -6.563 26.184 9.871 408 HG2 LYS 48 HG2 LYS 48 -4.708 24.467 9.163 409 HG3 LYS 48 HG1 LYS 48 -5.871 23.247 9.655 410 HD2 LYS 48 HD2 LYS 48 -6.082 23.553 7.286 411 HD3 LYS 48 HD1 LYS 48 -7.515 24.249 8.042 412 HE2 LYS 48 HE2 LYS 48 -6.493 26.510 7.821 413 HE3 LYS 48 HE1 LYS 48 -5.107 25.779 7.003 414 HZ1 LYS 48 HZ1 LYS 48 -7.925 25.701 6.071 415 HZ2 LYS 48 HZ2 LYS 48 -6.616 24.972 5.287 416 HZ3 LYS 48 HZ3 LYS 48 -6.688 26.654 5.421 417 H GLN 49 HN GLN 49 -6.189 24.024 13.494 418 HA GLN 49 HA GLN 49 -3.861 22.295 13.631 419 HB2 GLN 49 HB2 GLN 49 -5.086 22.889 15.705 420 HB3 GLN 49 HB1 GLN 49 -6.533 22.092 15.090 421 HG2 GLN 49 HG2 GLN 49 -5.301 19.925 15.073 422 HG3 GLN 49 HG1 GLN 49 -3.897 20.735 15.754 423 HE21 GLN 49 HE21 GLN 49 -7.140 19.605 16.404 424 HE22 GLN 49 HE22 GLN 49 -7.052 19.747 18.121 425 H LEU 50 HN LEU 50 -3.724 20.163 12.962 426 HA LEU 50 HA LEU 50 -5.643 19.329 10.918 427 HB2 LEU 50 HB2 LEU 50 -3.004 18.020 11.599 428 HB3 LEU 50 HB1 LEU 50 -3.944 17.853 10.123 429 HG LEU 50 HG LEU 50 -2.315 20.264 11.013 430 HD11 LEU 50 HD11 LEU 50 -2.027 18.413 8.646 431 HD12 LEU 50 HD12 LEU 50 -1.003 18.466 10.083 432 HD13 LEU 50 HD13 LEU 50 -1.033 19.836 8.976 433 HD21 LEU 50 HD21 LEU 50 -4.111 20.092 8.565 434 HD22 LEU 50 HD22 LEU 50 -2.995 21.405 8.942 435 HD23 LEU 50 HD23 LEU 50 -4.385 21.112 9.981 436 H GLU 51 HN GLU 51 -7.118 17.802 11.320 437 HA GLU 51 HA GLU 51 -7.201 16.352 13.840 438 HB2 GLU 51 HB2 GLU 51 -9.236 17.461 13.171 439 HB3 GLU 51 HB1 GLU 51 -9.176 16.765 11.559 440 HG2 GLU 51 HG2 GLU 51 -9.734 14.562 12.422 441 HG3 GLU 51 HG1 GLU 51 -9.625 15.141 14.082 442 H ASP 52 HN ASP 52 -7.181 14.155 14.025 443 HA ASP 52 HA ASP 52 -5.359 12.668 12.574 444 HB2 ASP 52 HB2 ASP 52 -7.623 11.737 14.386 445 HB3 ASP 52 HB1 ASP 52 -6.314 10.691 13.839 446 H GLY 53 HN GLY 53 -8.904 12.388 12.496 447 HA2 GLY 53 HA2 GLY 53 -9.065 10.176 10.744 448 HA3 GLY 53 HA1 GLY 53 -10.376 11.251 11.180 449 H ARG 54 HN ARG 54 -8.679 13.554 10.103 450 HA ARG 54 HA ARG 54 -9.613 13.434 7.357 451 HB2 ARG 54 HB2 ARG 54 -8.143 15.607 8.893 452 HB3 ARG 54 HB1 ARG 54 -8.777 15.791 7.255 453 HG2 ARG 54 HG2 ARG 54 -11.075 15.330 8.171 454 HG3 ARG 54 HG1 ARG 54 -10.386 15.316 9.791 455 HD2 ARG 54 HD2 ARG 54 -9.645 17.614 9.522 456 HD3 ARG 54 HD1 ARG 54 -10.261 17.678 7.874 457 HE ARG 54 HE ARG 54 -11.887 17.497 10.340 458 HH11 ARG 54 HH11 ARG 54 -11.687 18.264 6.922 459 HH12 ARG 54 HH12 ARG 54 -13.203 19.108 6.908 460 HH21 ARG 54 HH21 ARG 54 -13.836 18.644 10.316 461 HH22 ARG 54 HH22 ARG 54 -14.417 19.327 8.831 462 H THR 55 HN THR 55 -7.961 14.528 5.739 463 HA THR 55 HA THR 55 -5.399 13.020 5.853 464 HB THR 55 HB THR 55 -5.463 12.971 3.350 465 HG1 THR 55 HG1 THR 55 -7.892 13.373 2.671 466 HG21 THR 55 HG21 THR 55 -6.309 11.016 4.587 467 HG22 THR 55 HG22 THR 55 -7.200 11.250 3.081 468 HG23 THR 55 HG23 THR 55 -7.926 11.727 4.618 469 H LEU 56 HN LEU 56 -3.695 14.019 4.456 470 HA LEU 56 HA LEU 56 -3.105 16.680 5.110 471 HB2 LEU 56 HB2 LEU 56 -2.069 14.953 2.822 472 HB3 LEU 56 HB1 LEU 56 -1.398 16.525 3.214 473 HG LEU 56 HG LEU 56 -1.376 14.129 5.098 474 HD11 LEU 56 HD11 LEU 56 1.032 13.971 4.602 475 HD12 LEU 56 HD12 LEU 56 0.885 15.255 3.400 476 HD13 LEU 56 HD13 LEU 56 0.063 13.712 3.153 477 HD21 LEU 56 HD21 LEU 56 0.015 16.832 5.336 478 HD22 LEU 56 HD22 LEU 56 0.198 15.471 6.448 479 HD23 LEU 56 HD23 LEU 56 -1.358 16.280 6.300 480 H SER 57 HN SER 57 -4.349 15.272 2.094 481 HA SER 57 HA SER 57 -4.560 17.618 0.566 482 HB2 SER 57 HB2 SER 57 -4.476 15.346 -0.423 483 HB3 SER 57 HB1 SER 57 -6.060 14.982 0.252 484 HG SER 57 HG SER 57 -6.136 17.281 -1.190 485 H ASP 58 HN ASP 58 -6.674 16.213 2.992 486 HA ASP 58 HA ASP 58 -9.110 17.526 2.315 487 HB2 ASP 58 HB2 ASP 58 -8.979 15.605 3.902 488 HB3 ASP 58 HB1 ASP 58 -8.094 16.603 5.047 489 H TYR 59 HN TYR 59 -6.317 18.412 4.305 490 HA TYR 59 HA TYR 59 -7.433 21.023 4.998 491 HB2 TYR 59 HB2 TYR 59 -5.011 19.441 5.874 492 HB3 TYR 59 HB1 TYR 59 -5.107 21.161 6.216 493 HD1 TYR 59 HD1 TYR 59 -7.392 21.944 7.303 494 HD2 TYR 59 HD2 TYR 59 -5.860 17.965 7.529 495 HE1 TYR 59 HE1 TYR 59 -8.683 21.576 9.347 496 HE2 TYR 59 HE2 TYR 59 -7.158 17.597 9.577 497 HH TYR 59 HH TYR 59 -8.099 19.345 11.494 498 H ASN 60 HN ASN 60 -6.359 20.112 2.198 499 HA ASN 60 HA ASN 60 -5.520 21.111 0.354 500 HB2 ASN 60 HB2 ASN 60 -5.261 23.598 2.100 501 HB3 ASN 60 HB1 ASN 60 -5.054 23.580 0.352 502 HD21 ASN 60 HD21 ASN 60 -7.370 23.193 2.970 503 HD22 ASN 60 HD22 ASN 60 -8.784 23.452 2.009 504 H ILE 61 HN ILE 61 -3.790 19.945 2.595 505 HA ILE 61 HA ILE 61 -1.104 20.942 1.982 506 HB ILE 61 HB ILE 61 -1.842 18.408 3.519 507 HG12 ILE 61 HG12 ILE 61 -1.384 21.078 4.898 508 HG13 ILE 61 HG11 ILE 61 -2.989 20.556 4.404 509 HG21 ILE 61 HG21 ILE 61 0.330 18.706 4.654 510 HG22 ILE 61 HG22 ILE 61 0.645 20.156 3.698 511 HG23 ILE 61 HG23 ILE 61 0.533 18.583 2.906 512 HD11 ILE 61 HD11 ILE 61 -1.196 19.018 6.272 513 HD12 ILE 61 HD12 ILE 61 -2.873 18.636 5.841 514 HD13 ILE 61 HD13 ILE 61 -2.502 20.098 6.757 515 H GLN 62 HN GLN 62 0.280 19.889 0.591 516 HA GLN 62 HA GLN 62 -0.440 17.270 -0.566 517 HB2 GLN 62 HB2 GLN 62 0.076 18.066 -2.832 518 HB3 GLN 62 HB1 GLN 62 -1.227 19.033 -2.147 519 HG2 GLN 62 HG2 GLN 62 0.358 20.855 -1.664 520 HG3 GLN 62 HG1 GLN 62 1.687 19.879 -2.288 521 HE21 GLN 62 HE21 GLN 62 1.780 19.457 -4.529 522 HE22 GLN 62 HE22 GLN 62 0.960 20.467 -5.670 523 H LYS 63 HN LYS 63 1.665 16.950 -2.244 524 HA LYS 63 HA LYS 63 3.862 16.291 -0.685 525 HB2 LYS 63 HB2 LYS 63 5.086 16.045 -2.810 526 HB3 LYS 63 HB1 LYS 63 3.490 15.331 -2.915 527 HG2 LYS 63 HG2 LYS 63 2.689 17.362 -4.133 528 HG3 LYS 63 HG1 LYS 63 4.344 17.991 -4.105 529 HD2 LYS 63 HD2 LYS 63 3.400 15.418 -5.418 530 HD3 LYS 63 HD1 LYS 63 3.907 16.893 -6.248 531 HE2 LYS 63 HE2 LYS 63 5.787 15.431 -4.382 532 HE3 LYS 63 HE1 LYS 63 5.597 14.946 -6.040 533 HZ1 LYS 63 HZ1 LYS 63 7.456 16.453 -5.727 534 HZ2 LYS 63 HZ2 LYS 63 6.410 17.651 -5.161 535 HZ3 LYS 63 HZ3 LYS 63 6.298 17.116 -6.758 536 H GLU 64 HN GLU 64 5.793 17.180 -0.283 537 HA GLU 64 HA GLU 64 7.272 18.710 0.413 538 HB2 GLU 64 HB2 GLU 64 6.671 19.862 -2.331 539 HB3 GLU 64 HB1 GLU 64 8.071 20.308 -1.354 540 HG2 GLU 64 HG2 GLU 64 8.892 17.988 -1.445 541 HG3 GLU 64 HG1 GLU 64 7.473 17.507 -2.375 542 H SER 65 HN SER 65 4.213 19.439 0.784 543 HA SER 65 HA SER 65 4.273 22.306 1.129 544 HB2 SER 65 HB2 SER 65 2.319 20.224 2.198 545 HB3 SER 65 HB1 SER 65 2.090 21.974 2.300 546 HG SER 65 HG SER 65 2.577 20.739 -0.187 547 H THR 66 HN THR 66 4.847 23.452 2.907 548 HA THR 66 HA THR 66 6.075 21.977 5.138 549 HB THR 66 HB THR 66 6.348 24.930 4.408 550 HG1 THR 66 HG1 THR 66 7.285 22.985 3.070 551 HG21 THR 66 HG21 THR 66 8.295 24.885 5.951 552 HG22 THR 66 HG22 THR 66 7.928 23.213 6.377 553 HG23 THR 66 HG23 THR 66 6.803 24.503 6.813 554 H LEU 67 HN LEU 67 5.084 21.846 6.974 555 HA LEU 67 HA LEU 67 3.163 23.859 7.912 556 HB2 LEU 67 HB2 LEU 67 1.915 22.012 9.065 557 HB3 LEU 67 HB1 LEU 67 1.756 22.017 7.326 558 HG LEU 67 HG LEU 67 3.743 20.160 8.666 559 HD11 LEU 67 HD11 LEU 67 1.582 19.745 9.767 560 HD12 LEU 67 HD12 LEU 67 2.047 18.395 8.736 561 HD13 LEU 67 HD13 LEU 67 0.810 19.533 8.193 562 HD21 LEU 67 HD21 LEU 67 3.919 20.396 6.216 563 HD22 LEU 67 HD22 LEU 67 2.222 19.946 6.035 564 HD23 LEU 67 HD23 LEU 67 3.389 18.775 6.657 565 H HIS 68 HN HIS 68 2.830 23.356 10.384 566 HA HIS 68 HA HIS 68 5.536 23.383 11.568 567 HB2 HIS 68 HB2 HIS 68 2.998 24.839 12.409 568 HB3 HIS 68 HB1 HIS 68 4.513 24.867 13.318 569 HD1 HIS 68 HD1 HIS 68 2.962 26.101 10.113 570 HD2 HIS 68 HD2 HIS 68 6.488 26.543 12.267 571 HE1 HIS 68 HE1 HIS 68 4.180 28.008 9.030 572 HE2 HIS 68 HE2 HIS 68 6.398 28.098 10.211 573 H LEU 69 HN LEU 69 5.917 22.405 13.475 574 HA LEU 69 HA LEU 69 3.949 20.467 14.526 575 HB2 LEU 69 HB2 LEU 69 5.957 19.575 13.128 576 HB3 LEU 69 HB1 LEU 69 6.972 20.076 14.455 577 HG LEU 69 HG LEU 69 6.389 17.605 14.377 578 HD11 LEU 69 HD11 LEU 69 5.526 18.975 16.928 579 HD12 LEU 69 HD12 LEU 69 7.195 18.674 16.443 580 HD13 LEU 69 HD13 LEU 69 6.116 17.320 16.747 581 HD21 LEU 69 HD21 LEU 69 4.050 17.794 13.656 582 HD22 LEU 69 HD22 LEU 69 3.616 18.533 15.200 583 HD23 LEU 69 HD23 LEU 69 4.185 16.863 15.145 584 H VAL 70 HN VAL 70 3.566 20.757 16.606 585 HA VAL 70 HA VAL 70 5.112 22.767 18.111 586 HB VAL 70 HB VAL 70 2.232 21.843 18.389 587 HG11 VAL 70 HG11 VAL 70 3.131 22.390 20.614 588 HG12 VAL 70 HG12 VAL 70 1.948 23.590 20.108 589 HG13 VAL 70 HG13 VAL 70 3.669 23.968 20.028 590 HG21 VAL 70 HG21 VAL 70 2.719 23.260 16.400 591 HG22 VAL 70 HG22 VAL 70 3.335 24.528 17.467 592 HG23 VAL 70 HG23 VAL 70 1.638 24.055 17.539 593 H LEU 71 HN LEU 71 6.243 22.133 19.761 594 HA LEU 71 HA LEU 71 6.079 19.370 20.747 595 HB2 LEU 71 HB2 LEU 71 8.222 21.503 21.171 596 HB3 LEU 71 HB1 LEU 71 8.304 19.818 21.664 597 HG LEU 71 HG LEU 71 8.220 20.776 18.779 598 HD11 LEU 71 HD11 LEU 71 10.354 21.356 19.840 599 HD12 LEU 71 HD12 LEU 71 10.570 20.087 18.638 600 HD13 LEU 71 HD13 LEU 71 10.569 19.680 20.356 601 HD21 LEU 71 HD21 LEU 71 7.190 18.555 19.032 602 HD22 LEU 71 HD22 LEU 71 8.632 17.964 19.862 603 HD23 LEU 71 HD23 LEU 71 8.722 18.448 18.167 604 H ARG 72 HN ARG 72 4.791 19.139 22.444 605 HA ARG 72 HA ARG 72 4.501 21.065 24.623 606 HB2 ARG 72 HB2 ARG 72 3.477 18.195 24.326 607 HB3 ARG 72 HB1 ARG 72 3.060 19.286 25.651 608 HG2 ARG 72 HG2 ARG 72 1.878 20.773 24.111 609 HG3 ARG 72 HG1 ARG 72 2.386 19.791 22.732 610 HD2 ARG 72 HD2 ARG 72 0.064 19.288 23.343 611 HD3 ARG 72 HD1 ARG 72 1.089 17.873 23.612 612 HE ARG 72 HE ARG 72 0.377 19.696 25.834 613 HH11 ARG 72 HH11 ARG 72 0.373 16.438 24.510 614 HH12 ARG 72 HH12 ARG 72 -0.261 15.727 25.954 615 HH21 ARG 72 HH21 ARG 72 -0.456 18.730 27.724 616 HH22 ARG 72 HH22 ARG 72 -0.732 17.015 27.770 617 H LEU 73 HN LEU 73 5.774 17.827 24.052 618 HA LEU 73 HA LEU 73 7.331 16.515 24.967 619 HB2 LEU 73 HB2 LEU 73 8.562 19.210 24.643 620 HB3 LEU 73 HB1 LEU 73 9.489 18.090 25.618 621 HG LEU 73 HG LEU 73 10.073 18.153 23.118 622 HD11 LEU 73 HD11 LEU 73 9.305 15.458 24.286 623 HD12 LEU 73 HD12 LEU 73 10.815 16.322 24.570 624 HD13 LEU 73 HD13 LEU 73 10.436 15.733 22.955 625 HD21 LEU 73 HD21 LEU 73 7.507 16.545 22.813 626 HD22 LEU 73 HD22 LEU 73 8.679 16.941 21.551 627 HD23 LEU 73 HD23 LEU 73 7.717 18.216 22.287 628 H ARG 74 HN ARG 74 5.384 16.979 26.784 629 HA ARG 74 HA ARG 74 6.446 17.186 29.419 630 HB2 ARG 74 HB2 ARG 74 4.007 15.696 28.347 631 HB3 ARG 74 HB1 ARG 74 4.388 15.835 30.058 632 HG2 ARG 74 HG2 ARG 74 3.710 18.124 28.174 633 HG3 ARG 74 HG1 ARG 74 2.683 17.472 29.456 634 HD2 ARG 74 HD2 ARG 74 4.415 18.160 31.130 635 HD3 ARG 74 HD1 ARG 74 5.340 18.903 29.824 636 HE ARG 74 HE ARG 74 2.596 19.834 30.189 637 HH11 ARG 74 HH11 ARG 74 6.024 20.489 30.668 638 HH12 ARG 74 HH12 ARG 74 5.751 22.126 31.172 639 HH21 ARG 74 HH21 ARG 74 2.278 21.984 30.869 640 HH22 ARG 74 HH22 ARG 74 3.644 22.970 31.284 641 H GLY 75 HN GLY 75 8.375 16.134 29.417 642 HA2 GLY 75 HA2 GLY 75 8.916 13.660 30.229 643 HA3 GLY 75 HA1 GLY 75 8.701 13.385 28.500 644 H GLY 76 HN GLY 76 9.731 15.876 27.588 645 HA2 GLY 76 HA2 GLY 76 11.701 16.970 27.070 646 HA3 GLY 76 HA1 GLY 76 12.443 16.257 28.497 647 H1 GLY 195 HN GLY 195 18.609 17.131 24.101 648 HA2 GLY 195 HA2 GLY 195 15.958 16.621 25.106 649 HA3 GLY 195 HA1 GLY 195 17.479 16.169 25.859 650 H SER 196 HN SER 196 15.189 18.809 25.425 651 HA SER 196 HA SER 196 16.424 20.583 27.320 652 HB2 SER 196 HB2 SER 196 15.046 21.459 25.460 653 HB3 SER 196 HB1 SER 196 13.619 20.660 26.122 654 HG SER 196 HG SER 196 13.517 22.707 26.888 655 H ARG 197 HN ARG 197 16.099 20.730 29.447 656 HA ARG 197 HA ARG 197 13.921 19.206 30.774 657 HB2 ARG 197 HB2 ARG 197 16.274 18.364 31.201 658 HB3 ARG 197 HB1 ARG 197 16.684 19.929 31.887 659 HG2 ARG 197 HG2 ARG 197 16.268 18.215 33.616 660 HG3 ARG 197 HG1 ARG 197 15.148 19.571 33.746 661 HD2 ARG 197 HD2 ARG 197 14.000 17.431 34.101 662 HD3 ARG 197 HD1 ARG 197 13.386 18.243 32.661 663 HE ARG 197 HE ARG 197 15.449 16.160 32.379 664 HH11 ARG 197 HH11 ARG 197 12.144 17.189 31.737 665 HH12 ARG 197 HH12 ARG 197 11.802 15.823 30.728 666 HH21 ARG 197 HH21 ARG 197 14.966 14.405 31.032 667 HH22 ARG 197 HH22 ARG 197 13.386 14.258 30.332 668 H GLN 198 HN GLN 198 14.342 22.100 29.655 669 HA GLN 198 HA GLN 198 13.606 23.640 32.083 670 HB2 GLN 198 HB2 GLN 198 15.230 24.630 29.698 671 HB3 GLN 198 HB1 GLN 198 14.788 25.588 31.109 672 HG2 GLN 198 HG2 GLN 198 16.668 23.207 31.053 673 HG3 GLN 198 HG1 GLN 198 17.124 24.899 31.238 674 HE21 GLN 198 HE21 GLN 198 17.616 22.588 33.003 675 HE22 GLN 198 HE22 GLN 198 16.965 23.019 34.543 676 H VAL 199 HN VAL 199 12.538 25.789 31.409 677 HA VAL 199 HA VAL 199 10.238 25.294 29.782 678 HB VAL 199 HB VAL 199 9.944 26.746 31.677 679 HG11 VAL 199 HG11 VAL 199 12.217 27.618 31.956 680 HG12 VAL 199 HG12 VAL 199 11.033 28.921 31.996 681 HG13 VAL 199 HG13 VAL 199 12.013 28.667 30.549 682 HG21 VAL 199 HG21 VAL 199 9.742 28.462 29.167 683 HG22 VAL 199 HG22 VAL 199 8.877 28.733 30.682 684 HG23 VAL 199 HG23 VAL 199 8.545 27.291 29.728 685 H THR 200 HN THR 200 10.668 24.923 27.688 686 HA THR 200 HA THR 200 12.674 26.221 26.123 687 HB THR 200 HB THR 200 10.268 24.618 25.127 688 HG1 THR 200 HG1 THR 200 11.269 22.832 25.702 689 HG21 THR 200 HG21 THR 200 11.539 25.765 23.335 690 HG22 THR 200 HG22 THR 200 11.722 24.015 23.233 691 HG23 THR 200 HG23 THR 200 13.029 24.999 23.895 692 H LYS 201 HN LYS 201 12.497 28.046 24.835 693 HA LYS 201 HA LYS 201 9.922 29.471 24.664 694 HB2 LYS 201 HB2 LYS 201 12.768 30.367 24.032 695 HB3 LYS 201 HB1 LYS 201 11.354 31.335 23.640 696 HG2 LYS 201 HG2 LYS 201 12.256 32.210 25.666 697 HG3 LYS 201 HG1 LYS 201 10.768 31.363 26.093 698 HD2 LYS 201 HD2 LYS 201 12.164 29.395 26.804 699 HD3 LYS 201 HD1 LYS 201 13.612 30.349 26.471 700 HE2 LYS 201 HE2 LYS 201 12.943 31.975 28.191 701 HE3 LYS 201 HE1 LYS 201 11.467 31.057 28.501 702 HZ1 LYS 201 HZ1 LYS 201 13.149 30.548 30.132 703 HZ2 LYS 201 HZ2 LYS 201 14.240 30.093 28.926 704 HZ3 LYS 201 HZ3 LYS 201 12.846 29.183 29.183 705 H VAL 202 HN VAL 202 8.783 29.406 22.872 706 HA VAL 202 HA VAL 202 9.830 28.574 20.280 707 HB VAL 202 HB VAL 202 7.897 26.813 20.167 708 HG11 VAL 202 HG11 VAL 202 10.302 26.198 21.937 709 HG12 VAL 202 HG12 VAL 202 10.239 26.091 20.175 710 HG13 VAL 202 HG13 VAL 202 9.267 24.995 21.161 711 HG21 VAL 202 HG21 VAL 202 6.745 27.497 22.249 712 HG22 VAL 202 HG22 VAL 202 8.139 26.992 23.204 713 HG23 VAL 202 HG23 VAL 202 7.203 25.796 22.303 714 H ASP 203 HN ASP 203 8.288 28.936 18.567 715 HA ASP 203 HA ASP 203 6.697 31.344 19.110 716 HB2 ASP 203 HB2 ASP 203 7.615 30.100 16.477 717 HB3 ASP 203 HB1 ASP 203 6.705 31.604 16.614 718 H CYS 204 HN CYS 204 4.574 31.619 18.510 719 HA CYS 204 HA CYS 204 2.858 29.270 18.347 720 HB2 CYS 204 HB2 CYS 204 2.395 31.165 19.946 721 HB3 CYS 204 HB1 CYS 204 2.117 32.216 18.582 722 HA PRO 205 HA PRO 205 3.603 29.960 13.886 723 HB2 PRO 205 HB2 PRO 205 2.219 27.740 12.947 724 HB3 PRO 205 HB1 PRO 205 3.867 27.690 13.585 725 HG2 PRO 205 HG2 PRO 205 1.271 27.107 15.021 726 HG3 PRO 205 HG1 PRO 205 2.777 26.159 15.005 727 HD2 PRO 205 HD2 PRO 205 2.243 27.747 17.069 728 HD3 PRO 205 HD1 PRO 205 3.892 27.673 16.425 729 H VAL 206 HN VAL 206 0.521 29.957 15.408 730 HA VAL 206 HA VAL 206 -1.014 30.473 12.997 731 HB VAL 206 HB VAL 206 -1.948 30.623 15.902 732 HG11 VAL 206 HG11 VAL 206 -4.203 30.313 14.943 733 HG12 VAL 206 HG12 VAL 206 -3.522 30.334 13.314 734 HG13 VAL 206 HG13 VAL 206 -3.435 31.777 14.328 735 HG21 VAL 206 HG21 VAL 206 -2.789 28.313 15.618 736 HG22 VAL 206 HG22 VAL 206 -1.039 28.370 15.405 737 HG23 VAL 206 HG23 VAL 206 -2.090 28.242 13.995 738 H CYS 207 HN CYS 207 0.001 32.379 15.893 739 HA CYS 207 HA CYS 207 -0.877 34.861 14.515 740 HB2 CYS 207 HB2 CYS 207 -1.218 35.910 16.658 741 HB3 CYS 207 HB1 CYS 207 -2.069 34.378 16.654 742 H GLY 208 HN GLY 208 1.884 33.183 15.291 743 HA2 GLY 208 HA2 GLY 208 4.087 33.634 14.897 744 HA3 GLY 208 HA1 GLY 208 3.585 35.173 14.226 745 H VAL 209 HN VAL 209 3.277 33.944 17.584 746 HA VAL 209 HA VAL 209 4.995 36.191 18.513 747 HB VAL 209 HB VAL 209 3.686 36.362 20.572 748 HG11 VAL 209 HG11 VAL 209 1.857 36.434 18.142 749 HG12 VAL 209 HG12 VAL 209 2.940 37.722 18.670 750 HG13 VAL 209 HG13 VAL 209 1.566 37.265 19.675 751 HG21 VAL 209 HG21 VAL 209 1.896 34.139 19.494 752 HG22 VAL 209 HG22 VAL 209 1.576 35.096 20.943 753 HG23 VAL 209 HG23 VAL 209 2.976 34.027 20.887 754 H ASN 210 HN ASN 210 6.692 35.702 19.840 755 HA ASN 210 HA ASN 210 7.326 32.883 20.291 756 HB2 ASN 210 HB2 ASN 210 9.061 34.451 19.388 757 HB3 ASN 210 HB1 ASN 210 9.018 35.351 20.901 758 HD21 ASN 210 HD21 ASN 210 9.961 32.337 19.394 759 HD22 ASN 210 HD22 ASN 210 11.001 31.805 20.663 760 H ILE 211 HN ILE 211 7.039 31.886 22.182 761 HA ILE 211 HA ILE 211 6.585 33.281 24.724 762 HB ILE 211 HB ILE 211 4.368 31.919 24.970 763 HG12 ILE 211 HG12 ILE 211 4.655 31.854 21.928 764 HG13 ILE 211 HG11 ILE 211 4.631 30.461 23.003 765 HG21 ILE 211 HG21 ILE 211 2.986 33.692 23.979 766 HG22 ILE 211 HG22 ILE 211 4.374 34.278 23.060 767 HG23 ILE 211 HG23 ILE 211 4.382 34.367 24.822 768 HD11 ILE 211 HD11 ILE 211 2.541 30.685 21.845 769 HD12 ILE 211 HD12 ILE 211 2.338 32.332 22.446 770 HD13 ILE 211 HD13 ILE 211 2.299 30.968 23.570 771 HA PRO 212 HA PRO 212 8.210 29.443 26.559 772 HB2 PRO 212 HB2 PRO 212 6.376 29.019 28.658 773 HB3 PRO 212 HB1 PRO 212 7.812 30.043 28.734 774 HG2 PRO 212 HG2 PRO 212 4.959 30.822 28.217 775 HG3 PRO 212 HG1 PRO 212 6.187 31.643 29.199 776 HD2 PRO 212 HD2 PRO 212 5.554 32.545 26.749 777 HD3 PRO 212 HD1 PRO 212 7.236 32.585 27.321 778 H GLU 213 HN GLU 213 7.654 27.180 27.026 779 HA GLU 213 HA GLU 213 6.461 26.065 24.726 780 HB2 GLU 213 HB2 GLU 213 8.481 25.224 25.970 781 HB3 GLU 213 HB1 GLU 213 7.417 24.662 27.250 782 HG2 GLU 213 HG2 GLU 213 6.330 23.128 25.584 783 HG3 GLU 213 HG1 GLU 213 7.534 23.637 24.401 784 H SER 214 HN SER 214 5.388 26.026 28.139 785 HA SER 214 HA SER 214 3.080 24.385 27.675 786 HB2 SER 214 HB2 SER 214 3.658 26.256 30.012 787 HB3 SER 214 HB1 SER 214 2.475 24.941 29.985 788 HG SER 214 HG SER 214 4.475 23.636 29.364 789 H HIS 215 HN HIS 215 3.715 27.853 27.745 790 HA HIS 215 HA HIS 215 0.983 28.715 27.533 791 HB2 HIS 215 HB2 HIS 215 2.900 30.069 28.507 792 HB3 HIS 215 HB1 HIS 215 3.516 30.290 26.876 793 HD1 HIS 215 HD1 HIS 215 0.880 31.443 29.232 794 HD2 HIS 215 HD2 HIS 215 1.989 32.122 25.282 795 HE1 HIS 215 HE1 HIS 215 -0.357 33.501 28.524 796 HE2 HIS 215 HE2 HIS 215 0.401 33.952 26.171 797 H ILE 216 HN ILE 216 3.428 27.615 25.291 798 HA ILE 216 HA ILE 216 2.369 28.818 22.936 799 HB ILE 216 HB ILE 216 4.765 27.586 23.375 800 HG12 ILE 216 HG12 ILE 216 4.167 29.072 21.436 801 HG13 ILE 216 HG11 ILE 216 5.236 27.750 20.985 802 HG21 ILE 216 HG21 ILE 216 3.867 25.266 23.445 803 HG22 ILE 216 HG22 ILE 216 5.011 25.483 22.130 804 HG23 ILE 216 HG23 ILE 216 3.281 25.440 21.796 805 HD11 ILE 216 HD11 ILE 216 3.620 28.003 19.294 806 HD12 ILE 216 HD12 ILE 216 2.293 27.995 20.449 807 HD13 ILE 216 HD13 ILE 216 3.225 26.524 20.157 808 H ASN 217 HN ASN 217 1.996 25.627 24.480 809 HA ASN 217 HA ASN 217 0.224 24.513 22.589 810 HB2 ASN 217 HB2 ASN 217 1.438 23.167 24.270 811 HB3 ASN 217 HB1 ASN 217 0.488 23.898 25.563 812 HD21 ASN 217 HD21 ASN 217 -1.573 23.134 25.940 813 HD22 ASN 217 HD22 ASN 217 -2.253 21.766 25.136 814 H LYS 218 HN LYS 218 -0.369 26.467 25.495 815 HA LYS 218 HA LYS 218 -3.221 26.303 25.416 816 HB2 LYS 218 HB2 LYS 218 -2.000 26.864 27.486 817 HB3 LYS 218 HB1 LYS 218 -1.415 28.360 26.767 818 HG2 LYS 218 HG2 LYS 218 -3.293 28.747 28.339 819 HG3 LYS 218 HG1 LYS 218 -3.677 29.282 26.703 820 HD2 LYS 218 HD2 LYS 218 -5.614 28.160 27.648 821 HD3 LYS 218 HD1 LYS 218 -4.967 27.173 26.339 822 HE2 LYS 218 HE2 LYS 218 -3.820 25.746 28.044 823 HE3 LYS 218 HE1 LYS 218 -4.588 26.702 29.316 824 HZ1 LYS 218 HZ1 LYS 218 -6.754 26.040 28.371 825 HZ2 LYS 218 HZ2 LYS 218 -5.852 24.720 28.924 826 HZ3 LYS 218 HZ3 LYS 218 -5.951 25.041 27.267 827 H HIS 219 HN HIS 219 -0.896 28.696 24.121 828 HA HIS 219 HA HIS 219 -2.785 30.677 23.398 829 HB2 HIS 219 HB2 HIS 219 -0.012 30.607 23.355 830 HB3 HIS 219 HB1 HIS 219 -0.362 30.554 21.635 831 HD2 HIS 219 HD2 HIS 219 -1.290 32.820 24.712 832 HE1 HIS 219 HE1 HIS 219 -1.057 35.248 21.274 833 HE2 HIS 219 HE2 HIS 219 -1.197 35.221 23.791 834 H LEU 220 HN LEU 220 -1.488 27.889 21.754 835 HA LEU 220 HA LEU 220 -2.681 28.315 19.209 836 HB2 LEU 220 HB2 LEU 220 -1.708 25.795 20.577 837 HB3 LEU 220 HB1 LEU 220 -2.200 25.873 18.883 838 HG LEU 220 HG LEU 220 0.071 27.485 20.086 839 HD11 LEU 220 HD11 LEU 220 0.162 24.926 18.502 840 HD12 LEU 220 HD12 LEU 220 0.612 25.156 20.193 841 HD13 LEU 220 HD13 LEU 220 1.552 25.928 18.921 842 HD21 LEU 220 HD21 LEU 220 -0.999 28.527 18.110 843 HD22 LEU 220 HD22 LEU 220 -0.666 27.070 17.172 844 HD23 LEU 220 HD23 LEU 220 0.660 28.038 17.810 845 H ASP 221 HN ASP 221 -3.628 26.528 22.109 846 HA ASP 221 HA ASP 221 -5.842 25.157 21.082 847 HB2 ASP 221 HB2 ASP 221 -4.653 24.799 23.326 848 HB3 ASP 221 HB1 ASP 221 -5.593 26.148 23.956 849 H SER 222 HN SER 222 -5.482 28.474 22.125 850 HA SER 222 HA SER 222 -8.303 29.133 21.715 851 HB2 SER 222 HB2 SER 222 -6.969 30.267 23.493 852 HB3 SER 222 HB1 SER 222 -5.910 30.951 22.258 853 HG SER 222 HG SER 222 -8.723 31.387 22.355 854 H CYS 223 HN CYS 223 -5.181 29.595 20.060 855 HA CYS 223 HA CYS 223 -6.096 31.464 18.125 856 HB2 CYS 223 HB2 CYS 223 -3.501 29.921 18.425 857 HB3 CYS 223 HB1 CYS 223 -3.787 30.972 17.051 858 H LEU 224 HN LEU 224 -6.323 28.002 18.196 859 HA LEU 224 HA LEU 224 -6.185 27.670 15.289 860 HB2 LEU 224 HB2 LEU 224 -6.292 25.251 15.692 861 HB3 LEU 224 HB1 LEU 224 -5.030 26.008 16.637 862 HG LEU 224 HG LEU 224 -6.763 25.920 18.616 863 HD11 LEU 224 HD11 LEU 224 -8.762 25.221 17.402 864 HD12 LEU 224 HD12 LEU 224 -8.311 24.012 18.600 865 HD13 LEU 224 HD13 LEU 224 -7.963 23.731 16.892 866 HD21 LEU 224 HD21 LEU 224 -5.958 23.704 19.278 867 HD22 LEU 224 HD22 LEU 224 -4.667 24.675 18.576 868 HD23 LEU 224 HD23 LEU 224 -5.422 23.393 17.624 869 H SER 225 HN SER 225 -8.571 28.662 17.333 870 HA SER 225 HA SER 225 -10.816 27.139 16.448 871 HB2 SER 225 HB2 SER 225 -12.175 28.964 17.522 872 HB3 SER 225 HB1 SER 225 -10.920 28.327 18.585 873 HG SER 225 HG SER 225 -11.112 30.824 17.328 874 H ARG 226 HN ARG 226 -10.569 27.072 14.213 875 HA ARG 226 HA ARG 226 -10.985 29.551 12.633 876 HB2 ARG 226 HB2 ARG 226 -9.785 26.873 11.788 877 HB3 ARG 226 HB1 ARG 226 -9.961 28.281 10.747 878 HG2 ARG 226 HG2 ARG 226 -8.184 28.084 13.202 879 HG3 ARG 226 HG1 ARG 226 -7.651 28.044 11.519 880 HD2 ARG 226 HD2 ARG 226 -8.945 30.391 12.954 881 HD3 ARG 226 HD1 ARG 226 -7.252 30.261 12.465 882 HE ARG 226 HE ARG 226 -9.558 30.475 10.609 883 HH11 ARG 226 HH11 ARG 226 -6.154 31.062 11.262 884 HH12 ARG 226 HH12 ARG 226 -5.882 31.838 9.733 885 HH21 ARG 226 HH21 ARG 226 -9.186 31.502 8.637 886 HH22 ARG 226 HH22 ARG 226 -7.601 32.102 8.253 887 H GLU 227 HN GLU 227 -12.386 26.589 13.588 888 HA GLU 227 HA GLU 227 -13.992 26.143 11.226 889 HB2 GLU 227 HB2 GLU 227 -14.878 24.164 12.589 890 HB3 GLU 227 HB1 GLU 227 -13.177 24.149 12.170 891 HG2 GLU 227 HG2 GLU 227 -13.269 23.346 14.378 892 HG3 GLU 227 HG1 GLU 227 -12.703 25.008 14.523 Start of MODEL 8 1 H1 GLY -2 HT1 GLY -2 0.390 1.420 3.029 2 H2 GLY -2 HT2 GLY -2 2.038 1.800 3.036 3 H3 GLY -2 HT3 GLY -2 1.391 0.880 1.777 4 HA2 GLY -2 HA1 GLY -2 0.061 2.730 1.043 5 HA3 GLY -2 HA2 GLY -2 0.699 3.695 2.369 6 H SER -1 HN SER -1 0.847 4.218 -0.496 7 HA SER -1 HA SER -1 3.518 3.922 -1.441 8 HB2 SER -1 HB2 SER -1 1.388 5.983 -2.185 9 HB3 SER -1 HB1 SER -1 2.855 5.645 -3.114 10 HG SER -1 HG SER -1 1.655 4.212 -4.066 11 H HIS 0 HN HIS 0 5.220 4.739 -0.318 12 HA HIS 0 HA HIS 0 4.830 6.740 1.686 13 HB2 HIS 0 HB2 HIS 0 6.959 6.198 2.499 14 HB3 HIS 0 HB1 HIS 0 6.417 4.694 1.793 15 HD1 HIS 0 HD1 HIS 0 9.055 7.307 1.536 16 HD2 HIS 0 HD2 HIS 0 7.902 3.894 -0.533 17 HE1 HIS 0 HE1 HIS 0 10.938 6.797 -0.025 18 HE2 HIS 0 HE2 HIS 0 10.174 4.803 -1.348 19 H MET 1 HN MET 1 4.279 8.687 0.802 20 HA MET 1 HA MET 1 6.212 10.083 -0.953 21 HB2 MET 1 HB2 MET 1 3.470 11.042 -0.041 22 HB3 MET 1 HB1 MET 1 4.496 11.800 -1.242 23 HG2 MET 1 HG2 MET 1 3.182 9.093 -1.538 24 HG3 MET 1 HG1 MET 1 2.633 10.606 -2.268 25 HE1 MET 1 HE1 MET 1 2.671 9.753 -4.764 26 HE2 MET 1 HE2 MET 1 3.023 8.144 -4.131 27 HE3 MET 1 HE3 MET 1 3.996 8.809 -5.442 28 H GLN 2 HN GLN 2 7.030 12.094 -0.274 29 HA GLN 2 HA GLN 2 7.505 12.131 2.625 30 HB2 GLN 2 HB2 GLN 2 9.151 13.146 0.299 31 HB3 GLN 2 HB1 GLN 2 9.464 13.681 1.944 32 HG2 GLN 2 HG2 GLN 2 10.962 11.910 1.657 33 HG3 GLN 2 HG1 GLN 2 9.644 11.187 2.557 34 HE21 GLN 2 HE21 GLN 2 11.213 11.387 -0.539 35 HE22 GLN 2 HE22 GLN 2 10.532 9.953 -1.197 36 H ILE 3 HN ILE 3 6.764 13.672 3.859 37 HA ILE 3 HA ILE 3 6.085 16.339 2.758 38 HB ILE 3 HB ILE 3 4.375 16.556 4.678 39 HG12 ILE 3 HG12 ILE 3 5.160 14.389 5.868 40 HG13 ILE 3 HG11 ILE 3 3.426 14.657 5.769 41 HG21 ILE 3 HG21 ILE 3 2.528 15.536 3.398 42 HG22 ILE 3 HG22 ILE 3 3.701 14.668 2.406 43 HG23 ILE 3 HG23 ILE 3 3.647 16.432 2.367 44 HD11 ILE 3 HD11 ILE 3 5.017 12.793 3.988 45 HD12 ILE 3 HD12 ILE 3 3.267 13.028 3.943 46 HD13 ILE 3 HD13 ILE 3 4.024 12.317 5.366 47 H PHE 4 HN PHE 4 6.492 18.100 4.179 48 HA PHE 4 HA PHE 4 8.819 17.556 5.933 49 HB2 PHE 4 HB2 PHE 4 8.064 20.171 4.540 50 HB3 PHE 4 HB1 PHE 4 9.570 19.820 5.386 51 HD1 PHE 4 HD2 PHE 4 10.673 17.451 4.420 52 HD2 PHE 4 HD1 PHE 4 8.302 20.234 2.198 53 HE1 PHE 4 HE2 PHE 4 11.681 16.651 2.326 54 HE2 PHE 4 HE1 PHE 4 9.315 19.419 0.108 55 HZ PHE 4 HZ PHE 4 11.008 17.631 0.169 56 H VAL 5 HN VAL 5 7.980 17.336 7.952 57 HA VAL 5 HA VAL 5 6.152 19.398 9.026 58 HB VAL 5 HB VAL 5 6.973 16.617 9.979 59 HG11 VAL 5 HG11 VAL 5 5.715 16.976 12.081 60 HG12 VAL 5 HG12 VAL 5 5.550 18.691 11.685 61 HG13 VAL 5 HG13 VAL 5 7.146 17.998 11.977 62 HG21 VAL 5 HG21 VAL 5 5.046 16.808 8.438 63 HG22 VAL 5 HG22 VAL 5 4.234 17.899 9.561 64 HG23 VAL 5 HG23 VAL 5 4.537 16.221 10.020 65 H LYS 6 HN LYS 6 7.081 21.086 9.997 66 HA LYS 6 HA LYS 6 9.906 20.951 10.880 67 HB2 LYS 6 HB2 LYS 6 9.056 22.571 8.990 68 HB3 LYS 6 HB1 LYS 6 8.317 23.487 10.295 69 HG2 LYS 6 HG2 LYS 6 10.351 24.588 9.988 70 HG3 LYS 6 HG1 LYS 6 10.711 23.506 11.339 71 HD2 LYS 6 HD2 LYS 6 11.725 21.883 9.743 72 HD3 LYS 6 HD1 LYS 6 11.385 22.997 8.415 73 HE2 LYS 6 HE2 LYS 6 12.829 24.705 9.658 74 HE3 LYS 6 HE1 LYS 6 13.320 23.375 10.713 75 HZ1 LYS 6 HZ1 LYS 6 14.261 22.243 8.877 76 HZ2 LYS 6 HZ2 LYS 6 14.856 23.818 8.854 77 HZ3 LYS 6 HZ3 LYS 6 13.645 23.356 7.769 78 H THR 7 HN THR 7 10.229 21.049 13.108 79 HA THR 7 HA THR 7 8.093 21.627 14.941 80 HB THR 7 HB THR 7 9.926 21.562 16.709 81 HG1 THR 7 HG1 THR 7 11.982 20.853 15.971 82 HG21 THR 7 HG21 THR 7 10.394 19.147 16.504 83 HG22 THR 7 HG22 THR 7 9.792 19.184 14.849 84 HG23 THR 7 HG23 THR 7 8.697 19.519 16.183 85 H LEU 8 HN LEU 8 8.297 23.220 16.663 86 HA LEU 8 HA LEU 8 8.770 25.909 15.837 87 HB2 LEU 8 HB2 LEU 8 8.575 24.871 18.685 88 HB3 LEU 8 HB1 LEU 8 8.244 26.505 18.125 89 HG LEU 8 HG LEU 8 6.578 24.035 17.541 90 HD11 LEU 8 HD11 LEU 8 4.880 25.107 18.948 91 HD12 LEU 8 HD12 LEU 8 6.000 26.422 19.310 92 HD13 LEU 8 HD13 LEU 8 6.360 24.778 19.846 93 HD21 LEU 8 HD21 LEU 8 4.954 25.566 16.494 94 HD22 LEU 8 HD22 LEU 8 6.486 25.546 15.624 95 HD23 LEU 8 HD23 LEU 8 6.094 26.903 16.685 96 H THR 9 HN THR 9 10.751 23.448 17.293 97 HA THR 9 HA THR 9 12.855 25.171 18.262 98 HB THR 9 HB THR 9 14.101 23.014 18.632 99 HG1 THR 9 HG1 THR 9 13.387 21.193 17.789 100 HG21 THR 9 HG21 THR 9 12.596 22.079 20.356 101 HG22 THR 9 HG22 THR 9 11.235 22.963 19.665 102 HG23 THR 9 HG23 THR 9 12.575 23.843 20.403 103 H GLY 10 HN GLY 10 11.970 23.839 15.208 104 HA2 GLY 10 HA2 GLY 10 12.752 24.814 13.219 105 HA3 GLY 10 HA1 GLY 10 14.256 25.244 14.010 106 H LYS 11 HN LYS 11 13.201 21.999 14.492 107 HA LYS 11 HA LYS 11 15.181 20.986 12.570 108 HB2 LYS 11 HB2 LYS 11 15.270 18.998 13.768 109 HB3 LYS 11 HB1 LYS 11 14.866 20.122 15.054 110 HG2 LYS 11 HG2 LYS 11 12.549 19.430 15.023 111 HG3 LYS 11 HG1 LYS 11 12.830 18.454 13.576 112 HD2 LYS 11 HD2 LYS 11 14.533 17.762 15.938 113 HD3 LYS 11 HD1 LYS 11 12.810 17.454 16.140 114 HE2 LYS 11 HE2 LYS 11 14.121 15.496 15.268 115 HE3 LYS 11 HE1 LYS 11 12.760 15.968 14.259 116 HZ1 LYS 11 HZ1 LYS 11 14.248 17.018 12.736 117 HZ2 LYS 11 HZ2 LYS 11 14.774 15.437 13.006 118 HZ3 LYS 11 HZ3 LYS 11 15.573 16.726 13.739 119 H THR 12 HN THR 12 14.602 19.442 10.961 120 HA THR 12 HA THR 12 11.786 19.561 10.072 121 HB THR 12 HB THR 12 14.134 18.475 8.495 122 HG1 THR 12 HG1 THR 12 14.170 20.607 7.533 123 HG21 THR 12 HG21 THR 12 11.474 19.668 7.612 124 HG22 THR 12 HG22 THR 12 11.864 17.947 7.605 125 HG23 THR 12 HG23 THR 12 12.732 19.053 6.537 126 H ILE 13 HN ILE 13 10.661 17.723 9.641 127 HA ILE 13 HA ILE 13 11.710 15.069 10.427 128 HB ILE 13 HB ILE 13 8.914 16.153 11.069 129 HG12 ILE 13 HG12 ILE 13 9.844 15.557 13.529 130 HG13 ILE 13 HG11 ILE 13 11.393 15.873 12.776 131 HG21 ILE 13 HG21 ILE 13 10.145 13.469 11.743 132 HG22 ILE 13 HG22 ILE 13 8.890 13.770 10.544 133 HG23 ILE 13 HG23 ILE 13 8.549 14.032 12.253 134 HD11 ILE 13 HD11 ILE 13 9.086 17.799 12.959 135 HD12 ILE 13 HD12 ILE 13 10.637 18.123 12.177 136 HD13 ILE 13 HD13 ILE 13 10.569 17.824 13.912 137 H THR 14 HN THR 14 11.812 14.071 8.483 138 HA THR 14 HA THR 14 9.883 14.558 6.347 139 HB THR 14 HB THR 14 12.263 12.637 6.419 140 HG1 THR 14 HG1 THR 14 12.020 15.336 5.571 141 HG21 THR 14 HG21 THR 14 12.106 12.701 3.943 142 HG22 THR 14 HG22 THR 14 10.662 13.706 4.059 143 HG23 THR 14 HG23 THR 14 10.630 12.046 4.655 144 H LEU 15 HN LEU 15 7.986 13.459 6.426 145 HA LEU 15 HA LEU 15 7.881 10.713 7.561 146 HB2 LEU 15 HB2 LEU 15 5.472 12.423 6.807 147 HB3 LEU 15 HB1 LEU 15 5.480 10.933 7.728 148 HG LEU 15 HG LEU 15 5.074 12.621 9.325 149 HD11 LEU 15 HD11 LEU 15 6.813 11.019 10.036 150 HD12 LEU 15 HD12 LEU 15 6.948 12.580 10.828 151 HD13 LEU 15 HD13 LEU 15 8.059 12.156 9.523 152 HD21 LEU 15 HD21 LEU 15 6.367 14.681 9.556 153 HD22 LEU 15 HD22 LEU 15 5.620 14.571 7.966 154 HD23 LEU 15 HD23 LEU 15 7.346 14.248 8.151 155 H GLU 16 HN GLU 16 6.701 9.120 6.335 156 HA GLU 16 HA GLU 16 6.886 9.518 3.406 157 HB2 GLU 16 HB2 GLU 16 8.009 7.188 5.023 158 HB3 GLU 16 HB1 GLU 16 7.985 7.281 3.266 159 HG2 GLU 16 HG2 GLU 16 9.539 9.126 3.262 160 HG3 GLU 16 HG1 GLU 16 9.437 9.285 5.015 161 H VAL 17 HN VAL 17 4.582 9.747 3.573 162 HA VAL 17 HA VAL 17 3.080 7.218 3.493 163 HB VAL 17 HB VAL 17 1.203 8.112 4.871 164 HG11 VAL 17 HG11 VAL 17 2.162 7.931 7.125 165 HG12 VAL 17 HG12 VAL 17 3.789 8.107 6.463 166 HG13 VAL 17 HG13 VAL 17 2.815 6.693 6.049 167 HG21 VAL 17 HG21 VAL 17 1.539 10.498 4.497 168 HG22 VAL 17 HG22 VAL 17 3.037 10.479 5.437 169 HG23 VAL 17 HG23 VAL 17 1.487 10.178 6.232 170 H GLU 18 HN GLU 18 0.656 7.943 2.890 171 HA GLU 18 HA GLU 18 0.910 9.503 0.434 172 HB2 GLU 18 HB2 GLU 18 -1.646 8.212 1.478 173 HB3 GLU 18 HB1 GLU 18 -1.224 8.618 -0.182 174 HG2 GLU 18 HG2 GLU 18 0.700 6.884 0.134 175 HG3 GLU 18 HG1 GLU 18 -0.252 6.345 1.517 176 HA PRO 19 HA PRO 19 -1.285 13.208 2.065 177 HB2 PRO 19 HB2 PRO 19 -2.728 13.825 -0.260 178 HB3 PRO 19 HB1 PRO 19 -1.081 14.370 0.075 179 HG2 PRO 19 HG2 PRO 19 -2.001 12.023 -1.573 180 HG3 PRO 19 HG1 PRO 19 -0.714 13.200 -1.917 181 HD2 PRO 19 HD2 PRO 19 -0.121 10.742 -1.000 182 HD3 PRO 19 HD1 PRO 19 0.806 12.153 -0.446 183 H SER 20 HN SER 20 -2.806 10.514 0.379 184 HA SER 20 HA SER 20 -5.475 11.042 1.468 185 HB2 SER 20 HB2 SER 20 -5.142 10.431 -0.951 186 HB3 SER 20 HB1 SER 20 -4.524 8.860 -0.448 187 HG SER 20 HG SER 20 -7.134 9.904 -0.028 188 H ASP 21 HN ASP 21 -2.858 9.815 2.887 189 HA ASP 21 HA ASP 21 -3.646 7.160 3.666 190 HB2 ASP 21 HB2 ASP 21 -1.253 8.038 3.441 191 HB3 ASP 21 HB1 ASP 21 -1.493 8.893 4.955 192 H THR 22 HN THR 22 -2.647 9.351 6.259 193 HA THR 22 HA THR 22 -5.050 10.427 7.133 194 HB THR 22 HB THR 22 -5.859 8.154 7.670 195 HG1 THR 22 HG1 THR 22 -6.471 9.875 9.081 196 HG21 THR 22 HG21 THR 22 -4.822 6.761 9.414 197 HG22 THR 22 HG22 THR 22 -3.505 7.921 9.585 198 HG23 THR 22 HG23 THR 22 -3.690 7.022 8.080 199 H ILE 23 HN ILE 23 -4.767 11.758 8.926 200 HA ILE 23 HA ILE 23 -2.172 12.685 9.524 201 HB ILE 23 HB ILE 23 -4.761 13.201 11.067 202 HG12 ILE 23 HG12 ILE 23 -4.952 13.915 8.689 203 HG13 ILE 23 HG11 ILE 23 -4.995 15.290 9.777 204 HG21 ILE 23 HG21 ILE 23 -2.186 14.826 11.127 205 HG22 ILE 23 HG22 ILE 23 -2.810 13.812 12.423 206 HG23 ILE 23 HG23 ILE 23 -3.696 15.253 11.941 207 HD11 ILE 23 HD11 ILE 23 -3.677 15.753 7.790 208 HD12 ILE 23 HD12 ILE 23 -2.608 14.401 8.163 209 HD13 ILE 23 HD13 ILE 23 -2.670 15.803 9.236 210 H GLU 24 HN GLU 24 -4.367 10.476 11.198 211 HA GLU 24 HA GLU 24 -3.190 10.165 13.700 212 HB2 GLU 24 HB2 GLU 24 -5.330 9.107 13.023 213 HB3 GLU 24 HB1 GLU 24 -4.470 8.028 11.934 214 HG2 GLU 24 HG2 GLU 24 -3.297 7.055 13.942 215 HG3 GLU 24 HG1 GLU 24 -4.331 8.051 14.966 216 H ASN 25 HN ASN 25 -2.343 8.730 10.606 217 HA ASN 25 HA ASN 25 -0.315 6.970 11.658 218 HB2 ASN 25 HB2 ASN 25 -1.721 6.608 9.547 219 HB3 ASN 25 HB1 ASN 25 -0.697 7.789 8.753 220 HD21 ASN 25 HD21 ASN 25 -0.726 4.674 10.349 221 HD22 ASN 25 HD22 ASN 25 0.708 4.064 9.604 222 H VAL 26 HN VAL 26 -0.434 10.030 9.909 223 HA VAL 26 HA VAL 26 2.285 10.464 9.400 224 HB VAL 26 HB VAL 26 0.145 12.583 9.955 225 HG11 VAL 26 HG11 VAL 26 1.572 14.164 8.672 226 HG12 VAL 26 HG12 VAL 26 2.830 12.930 8.552 227 HG13 VAL 26 HG13 VAL 26 2.388 13.589 10.127 228 HG21 VAL 26 HG21 VAL 26 1.071 11.434 7.299 229 HG22 VAL 26 HG22 VAL 26 -0.129 12.708 7.515 230 HG23 VAL 26 HG23 VAL 26 -0.460 11.081 8.098 231 H LYS 27 HN LYS 27 0.327 11.312 12.240 232 HA LYS 27 HA LYS 27 2.411 12.704 13.602 233 HB2 LYS 27 HB2 LYS 27 0.877 12.870 15.472 234 HB3 LYS 27 HB1 LYS 27 0.036 13.230 13.978 235 HG2 LYS 27 HG2 LYS 27 -0.994 10.975 14.037 236 HG3 LYS 27 HG1 LYS 27 -0.168 10.655 15.564 237 HD2 LYS 27 HD2 LYS 27 -2.493 11.348 15.982 238 HD3 LYS 27 HD1 LYS 27 -1.368 12.544 16.627 239 HE2 LYS 27 HE2 LYS 27 -1.719 13.860 14.471 240 HE3 LYS 27 HE1 LYS 27 -3.022 12.734 14.097 241 HZ1 LYS 27 HZ1 LYS 27 -3.917 14.697 15.120 242 HZ2 LYS 27 HZ2 LYS 27 -2.879 14.549 16.445 243 HZ3 LYS 27 HZ3 LYS 27 -4.097 13.405 16.199 244 H ALA 28 HN ALA 28 1.180 9.374 13.659 245 HA ALA 28 HA ALA 28 2.916 8.347 15.673 246 HB1 ALA 28 HB1 ALA 28 1.708 6.924 13.272 247 HB2 ALA 28 HB2 ALA 28 0.949 7.113 14.854 248 HB3 ALA 28 HB3 ALA 28 2.413 6.143 14.690 249 H LYS 29 HN LYS 29 3.403 9.134 12.275 250 HA LYS 29 HA LYS 29 5.898 7.765 11.946 251 HB2 LYS 29 HB2 LYS 29 4.753 10.068 10.316 252 HB3 LYS 29 HB1 LYS 29 6.192 9.163 9.884 253 HG2 LYS 29 HG2 LYS 29 3.338 8.177 9.918 254 HG3 LYS 29 HG1 LYS 29 4.357 8.454 8.516 255 HD2 LYS 29 HD2 LYS 29 4.780 6.221 8.592 256 HD3 LYS 29 HD1 LYS 29 5.852 6.591 9.939 257 HE2 LYS 29 HE2 LYS 29 3.943 6.176 11.506 258 HE3 LYS 29 HE1 LYS 29 2.950 5.725 10.121 259 HZ1 LYS 29 HZ1 LYS 29 3.983 3.837 11.340 260 HZ2 LYS 29 HZ2 LYS 29 5.494 4.366 10.796 261 HZ3 LYS 29 HZ3 LYS 29 4.323 3.867 9.684 262 H ILE 30 HN ILE 30 4.995 11.142 12.876 263 HA ILE 30 HA ILE 30 7.601 12.193 13.099 264 HB ILE 30 HB ILE 30 5.035 12.882 14.582 265 HG12 ILE 30 HG12 ILE 30 5.715 15.239 13.477 266 HG13 ILE 30 HG11 ILE 30 6.686 14.227 12.423 267 HG21 ILE 30 HG21 ILE 30 6.756 13.224 16.272 268 HG22 ILE 30 HG22 ILE 30 6.163 14.785 15.710 269 HG23 ILE 30 HG23 ILE 30 7.721 14.178 15.143 270 HD11 ILE 30 HD11 ILE 30 4.567 14.813 11.437 271 HD12 ILE 30 HD12 ILE 30 3.707 14.059 12.780 272 HD13 ILE 30 HD13 ILE 30 4.682 13.072 11.687 273 H GLN 31 HN GLN 31 5.652 10.349 15.425 274 HA GLN 31 HA GLN 31 7.504 10.203 17.552 275 HB2 GLN 31 HB2 GLN 31 5.081 9.636 17.708 276 HB3 GLN 31 HB1 GLN 31 5.360 8.192 16.741 277 HG2 GLN 31 HG2 GLN 31 6.823 7.298 18.524 278 HG3 GLN 31 HG1 GLN 31 6.534 8.746 19.482 279 HE21 GLN 31 HE21 GLN 31 4.007 7.126 17.594 280 HE22 GLN 31 HE22 GLN 31 3.084 6.616 18.963 281 H ASP 32 HN ASP 32 7.257 8.386 14.560 282 HA ASP 32 HA ASP 32 9.264 6.407 15.199 283 HB2 ASP 32 HB2 ASP 32 7.599 5.800 13.563 284 HB3 ASP 32 HB1 ASP 32 7.903 7.243 12.607 285 H LYS 33 HN LYS 33 9.353 9.702 13.948 286 HA LYS 33 HA LYS 33 12.060 9.313 12.822 287 HB2 LYS 33 HB2 LYS 33 10.265 11.758 12.633 288 HB3 LYS 33 HB1 LYS 33 11.806 11.548 11.808 289 HG2 LYS 33 HG2 LYS 33 9.265 9.970 11.317 290 HG3 LYS 33 HG1 LYS 33 9.944 11.214 10.270 291 HD2 LYS 33 HD2 LYS 33 11.877 9.794 9.792 292 HD3 LYS 33 HD1 LYS 33 11.297 8.568 10.925 293 HE2 LYS 33 HE2 LYS 33 9.247 8.301 9.491 294 HE3 LYS 33 HE1 LYS 33 9.972 9.410 8.324 295 HZ1 LYS 33 HZ1 LYS 33 10.979 6.749 9.148 296 HZ2 LYS 33 HZ2 LYS 33 11.876 7.837 8.222 297 HZ3 LYS 33 HZ3 LYS 33 10.430 7.213 7.614 298 H GLU 34 HN GLU 34 10.527 11.974 14.767 299 HA GLU 34 HA GLU 34 13.134 12.573 15.911 300 HB2 GLU 34 HB2 GLU 34 12.180 14.568 16.844 301 HB3 GLU 34 HB1 GLU 34 11.711 14.440 15.158 302 HG2 GLU 34 HG2 GLU 34 9.459 13.768 15.803 303 HG3 GLU 34 HG1 GLU 34 9.915 13.773 17.505 304 H GLY 35 HN GLY 35 10.257 10.873 16.878 305 HA2 GLY 35 HA2 GLY 35 10.264 9.194 18.504 306 HA3 GLY 35 HA1 GLY 35 11.723 9.870 19.212 307 H ILE 36 HN ILE 36 8.982 11.911 18.523 308 HA ILE 36 HA ILE 36 8.390 12.134 21.415 309 HB ILE 36 HB ILE 36 8.165 14.217 19.184 310 HG12 ILE 36 HG12 ILE 36 9.388 15.658 20.942 311 HG13 ILE 36 HG11 ILE 36 9.575 14.202 21.906 312 HG21 ILE 36 HG21 ILE 36 7.001 15.745 20.757 313 HG22 ILE 36 HG22 ILE 36 6.889 14.439 21.944 314 HG23 ILE 36 HG23 ILE 36 6.028 14.312 20.411 315 HD11 ILE 36 HD11 ILE 36 10.736 14.691 19.176 316 HD12 ILE 36 HD12 ILE 36 10.943 13.221 20.132 317 HD13 ILE 36 HD13 ILE 36 11.591 14.754 20.714 318 HA PRO 37 HA PRO 37 4.659 9.909 20.355 319 HB2 PRO 37 HB2 PRO 37 3.247 10.175 22.677 320 HB3 PRO 37 HB1 PRO 37 4.705 9.177 22.577 321 HG2 PRO 37 HG2 PRO 37 4.433 12.031 23.541 322 HG3 PRO 37 HG1 PRO 37 5.250 10.661 24.334 323 HD2 PRO 37 HD2 PRO 37 6.641 12.482 22.903 324 HD3 PRO 37 HD1 PRO 37 7.102 10.769 22.893 325 HA PRO 38 HA PRO 38 1.750 12.802 18.593 326 HB2 PRO 38 HB2 PRO 38 -0.632 11.343 18.758 327 HB3 PRO 38 HB1 PRO 38 0.602 11.146 17.509 328 HG2 PRO 38 HG2 PRO 38 0.201 9.563 20.040 329 HG3 PRO 38 HG1 PRO 38 0.576 8.981 18.402 330 HD2 PRO 38 HD2 PRO 38 2.497 9.152 20.254 331 HD3 PRO 38 HD1 PRO 38 2.838 9.600 18.568 332 H ASP 39 HN ASP 39 1.286 11.748 21.841 333 HA ASP 39 HA ASP 39 -0.807 13.548 22.572 334 HB2 ASP 39 HB2 ASP 39 -0.089 11.553 23.936 335 HB3 ASP 39 HB1 ASP 39 1.402 12.393 24.344 336 H GLN 40 HN GLN 40 2.726 13.747 22.555 337 HA GLN 40 HA GLN 40 2.810 16.398 23.754 338 HB2 GLN 40 HB2 GLN 40 4.828 14.264 23.096 339 HB3 GLN 40 HB1 GLN 40 5.417 15.912 23.224 340 HG2 GLN 40 HG2 GLN 40 5.553 14.403 25.309 341 HG3 GLN 40 HG1 GLN 40 4.975 16.051 25.506 342 HE21 GLN 40 HE21 GLN 40 4.037 12.685 25.529 343 HE22 GLN 40 HE22 GLN 40 2.508 12.919 26.301 344 H GLN 41 HN GLN 41 3.299 14.949 20.567 345 HA GLN 41 HA GLN 41 4.193 17.535 19.482 346 HB2 GLN 41 HB2 GLN 41 4.687 16.245 17.394 347 HB3 GLN 41 HB1 GLN 41 5.581 15.716 18.805 348 HG2 GLN 41 HG2 GLN 41 5.028 13.654 18.038 349 HG3 GLN 41 HG1 GLN 41 3.540 13.952 18.924 350 HE21 GLN 41 HE21 GLN 41 4.428 15.433 15.842 351 HE22 GLN 41 HE22 GLN 41 3.193 14.662 14.926 352 H ARG 42 HN ARG 42 2.804 18.877 18.542 353 HA ARG 42 HA ARG 42 0.031 18.020 18.016 354 HB2 ARG 42 HB2 ARG 42 0.589 19.767 19.842 355 HB3 ARG 42 HB1 ARG 42 0.997 20.871 18.535 356 HG2 ARG 42 HG2 ARG 42 -1.297 20.786 17.697 357 HG3 ARG 42 HG1 ARG 42 -1.719 19.567 18.902 358 HD2 ARG 42 HD2 ARG 42 -1.130 21.261 20.692 359 HD3 ARG 42 HD1 ARG 42 -0.974 22.468 19.408 360 HE ARG 42 HE ARG 42 -3.445 21.411 18.991 361 HH11 ARG 42 HH11 ARG 42 -1.968 22.915 21.816 362 HH12 ARG 42 HH12 ARG 42 -3.486 23.420 22.477 363 HH21 ARG 42 HH21 ARG 42 -5.414 22.063 19.892 364 HH22 ARG 42 HH22 ARG 42 -5.444 22.929 21.396 365 H LEU 43 HN LEU 43 -0.776 18.250 16.011 366 HA LEU 43 HA LEU 43 1.040 19.077 13.850 367 HB2 LEU 43 HB2 LEU 43 -1.367 17.245 14.033 368 HB3 LEU 43 HB1 LEU 43 -0.967 17.946 12.478 369 HG LEU 43 HG LEU 43 -0.040 15.698 12.654 370 HD11 LEU 43 HD11 LEU 43 2.264 16.181 11.993 371 HD12 LEU 43 HD12 LEU 43 2.158 17.792 12.710 372 HD13 LEU 43 HD13 LEU 43 1.161 17.381 11.314 373 HD21 LEU 43 HD21 LEU 43 1.713 15.133 14.281 374 HD22 LEU 43 HD22 LEU 43 0.206 15.551 15.089 375 HD23 LEU 43 HD23 LEU 43 1.534 16.714 15.047 376 H ILE 44 HN ILE 44 0.719 20.894 12.720 377 HA ILE 44 HA ILE 44 -1.934 22.150 12.575 378 HB ILE 44 HB ILE 44 0.583 23.597 13.537 379 HG12 ILE 44 HG12 ILE 44 -2.134 23.317 14.933 380 HG13 ILE 44 HG11 ILE 44 -0.758 22.275 15.258 381 HG21 ILE 44 HG21 ILE 44 -2.110 24.840 12.829 382 HG22 ILE 44 HG22 ILE 44 -0.586 25.082 11.975 383 HG23 ILE 44 HG23 ILE 44 -0.774 25.686 13.618 384 HD11 ILE 44 HD11 ILE 44 -1.026 23.966 16.940 385 HD12 ILE 44 HD12 ILE 44 -0.853 25.236 15.728 386 HD13 ILE 44 HD13 ILE 44 0.502 24.158 16.085 387 H PHE 45 HN PHE 45 -2.372 22.820 10.552 388 HA PHE 45 HA PHE 45 -0.214 23.777 8.764 389 HB2 PHE 45 HB2 PHE 45 -0.769 21.455 8.061 390 HB3 PHE 45 HB1 PHE 45 -2.473 21.874 7.966 391 HD1 PHE 45 HD2 PHE 45 0.835 22.311 6.351 392 HD2 PHE 45 HD1 PHE 45 -3.361 23.078 6.009 393 HE1 PHE 45 HE2 PHE 45 1.132 22.879 3.981 394 HE2 PHE 45 HE1 PHE 45 -3.050 23.646 3.639 395 HZ PHE 45 HZ PHE 45 -0.812 23.548 2.619 396 H ALA 46 HN ALA 46 -0.741 25.728 8.007 397 HA ALA 46 HA ALA 46 -1.804 27.624 7.416 398 HB1 ALA 46 HB1 ALA 46 -4.075 27.533 6.462 399 HB2 ALA 46 HB2 ALA 46 -4.292 25.902 7.112 400 HB3 ALA 46 HB3 ALA 46 -3.085 26.203 5.861 401 H GLY 47 HN GLY 47 -1.802 26.593 10.274 402 HA2 GLY 47 HA2 GLY 47 -2.133 27.895 12.190 403 HA3 GLY 47 HA1 GLY 47 -3.395 28.798 11.371 404 H LYS 48 HN LYS 48 -4.032 25.548 10.832 405 HA LYS 48 HA LYS 48 -5.921 25.427 13.138 406 HB2 LYS 48 HB2 LYS 48 -7.473 24.256 11.738 407 HB3 LYS 48 HB1 LYS 48 -6.906 25.637 10.809 408 HG2 LYS 48 HG2 LYS 48 -5.211 23.941 9.759 409 HG3 LYS 48 HG1 LYS 48 -6.278 22.705 10.414 410 HD2 LYS 48 HD2 LYS 48 -6.893 23.083 8.126 411 HD3 LYS 48 HD1 LYS 48 -8.176 23.743 9.143 412 HE2 LYS 48 HE2 LYS 48 -6.988 26.016 8.859 413 HE3 LYS 48 HE1 LYS 48 -6.073 25.240 7.563 414 HZ1 LYS 48 HZ1 LYS 48 -9.020 25.563 7.716 415 HZ2 LYS 48 HZ2 LYS 48 -8.217 24.707 6.497 416 HZ3 LYS 48 HZ3 LYS 48 -7.968 26.368 6.667 417 H GLN 49 HN GLN 49 -6.249 23.412 14.161 418 HA GLN 49 HA GLN 49 -3.947 21.679 14.321 419 HB2 GLN 49 HB2 GLN 49 -5.245 22.258 16.331 420 HB3 GLN 49 HB1 GLN 49 -6.686 21.513 15.653 421 HG2 GLN 49 HG2 GLN 49 -5.570 19.301 15.741 422 HG3 GLN 49 HG1 GLN 49 -4.138 20.060 16.437 423 HE21 GLN 49 HE21 GLN 49 -7.501 19.240 17.020 424 HE22 GLN 49 HE22 GLN 49 -7.430 19.371 18.741 425 H LEU 50 HN LEU 50 -3.670 19.714 13.382 426 HA LEU 50 HA LEU 50 -5.604 18.795 11.423 427 HB2 LEU 50 HB2 LEU 50 -2.935 17.545 12.114 428 HB3 LEU 50 HB1 LEU 50 -3.891 17.298 10.661 429 HG LEU 50 HG LEU 50 -2.313 19.777 11.439 430 HD11 LEU 50 HD11 LEU 50 -0.985 17.993 10.503 431 HD12 LEU 50 HD12 LEU 50 -1.086 19.341 9.375 432 HD13 LEU 50 HD13 LEU 50 -2.054 17.890 9.100 433 HD21 LEU 50 HD21 LEU 50 -4.434 20.551 10.462 434 HD22 LEU 50 HD22 LEU 50 -4.187 19.505 9.063 435 HD23 LEU 50 HD23 LEU 50 -3.089 20.849 9.366 436 H GLU 51 HN GLU 51 -7.091 17.299 11.857 437 HA GLU 51 HA GLU 51 -7.259 15.952 14.402 438 HB2 GLU 51 HB2 GLU 51 -9.266 16.938 13.349 439 HB3 GLU 51 HB1 GLU 51 -9.044 15.934 11.923 440 HG2 GLU 51 HG2 GLU 51 -9.447 13.905 13.357 441 HG3 GLU 51 HG1 GLU 51 -9.808 14.983 14.699 442 H ASP 52 HN ASP 52 -6.928 13.810 14.754 443 HA ASP 52 HA ASP 52 -5.137 12.374 13.131 444 HB2 ASP 52 HB2 ASP 52 -5.543 10.481 14.737 445 HB3 ASP 52 HB1 ASP 52 -5.163 12.010 15.517 446 H GLY 53 HN GLY 53 -8.648 12.168 13.462 447 HA2 GLY 53 HA2 GLY 53 -9.130 9.786 12.045 448 HA3 GLY 53 HA1 GLY 53 -10.277 11.093 12.277 449 H ARG 54 HN ARG 54 -8.764 13.137 10.941 450 HA ARG 54 HA ARG 54 -9.658 12.666 8.234 451 HB2 ARG 54 HB2 ARG 54 -8.236 15.037 9.514 452 HB3 ARG 54 HB1 ARG 54 -8.836 15.031 7.855 453 HG2 ARG 54 HG2 ARG 54 -11.139 14.633 8.745 454 HG3 ARG 54 HG1 ARG 54 -10.503 14.757 10.378 455 HD2 ARG 54 HD2 ARG 54 -9.826 17.071 9.955 456 HD3 ARG 54 HD1 ARG 54 -10.401 16.961 8.292 457 HE ARG 54 HE ARG 54 -12.666 16.605 9.223 458 HH11 ARG 54 HH11 ARG 54 -10.332 18.221 11.282 459 HH12 ARG 54 HH12 ARG 54 -11.547 19.032 12.208 460 HH21 ARG 54 HH21 ARG 54 -14.219 17.692 10.452 461 HH22 ARG 54 HH22 ARG 54 -13.725 18.728 11.750 462 H THR 55 HN THR 55 -8.119 13.631 6.448 463 HA THR 55 HA THR 55 -5.515 12.197 6.567 464 HB THR 55 HB THR 55 -5.619 12.170 4.049 465 HG1 THR 55 HG1 THR 55 -7.873 12.538 3.227 466 HG21 THR 55 HG21 THR 55 -6.364 10.185 5.292 467 HG22 THR 55 HG22 THR 55 -7.297 10.398 3.810 468 HG23 THR 55 HG23 THR 55 -8.006 10.836 5.368 469 H LEU 56 HN LEU 56 -3.791 13.187 5.197 470 HA LEU 56 HA LEU 56 -3.216 15.881 5.718 471 HB2 LEU 56 HB2 LEU 56 -2.214 14.056 3.490 472 HB3 LEU 56 HB1 LEU 56 -1.556 15.657 3.769 473 HG LEU 56 HG LEU 56 -1.438 13.395 5.808 474 HD11 LEU 56 HD11 LEU 56 -0.108 12.805 3.827 475 HD12 LEU 56 HD12 LEU 56 0.935 13.155 5.202 476 HD13 LEU 56 HD13 LEU 56 0.745 14.351 3.917 477 HD21 LEU 56 HD21 LEU 56 0.006 16.077 5.753 478 HD22 LEU 56 HD22 LEU 56 0.214 14.811 6.967 479 HD23 LEU 56 HD23 LEU 56 -1.329 15.646 6.823 480 H SER 57 HN SER 57 -4.537 14.329 2.822 481 HA SER 57 HA SER 57 -4.741 16.580 1.152 482 HB2 SER 57 HB2 SER 57 -4.703 14.201 0.372 483 HB3 SER 57 HB1 SER 57 -6.335 13.984 0.999 484 HG SER 57 HG SER 57 -6.076 16.163 -0.667 485 H ASP 58 HN ASP 58 -6.812 15.389 3.713 486 HA ASP 58 HA ASP 58 -9.254 16.671 2.898 487 HB2 ASP 58 HB2 ASP 58 -8.986 14.692 4.543 488 HB3 ASP 58 HB1 ASP 58 -8.510 15.882 5.747 489 H TYR 59 HN TYR 59 -6.435 17.571 4.790 490 HA TYR 59 HA TYR 59 -7.529 20.204 5.500 491 HB2 TYR 59 HB2 TYR 59 -5.084 18.625 6.334 492 HB3 TYR 59 HB1 TYR 59 -5.136 20.360 6.605 493 HD1 TYR 59 HD1 TYR 59 -7.171 21.291 7.875 494 HD2 TYR 59 HD2 TYR 59 -6.051 17.170 7.963 495 HE1 TYR 59 HE1 TYR 59 -8.396 21.008 9.968 496 HE2 TYR 59 HE2 TYR 59 -7.289 16.891 10.057 497 HH TYR 59 HH TYR 59 -7.948 18.830 12.048 498 H ASN 60 HN ASN 60 -6.617 19.207 2.689 499 HA ASN 60 HA ASN 60 -5.826 20.123 0.784 500 HB2 ASN 60 HB2 ASN 60 -5.441 22.673 2.414 501 HB3 ASN 60 HB1 ASN 60 -5.337 22.576 0.662 502 HD21 ASN 60 HD21 ASN 60 -7.509 22.309 3.417 503 HD22 ASN 60 HD22 ASN 60 -8.970 22.574 2.535 504 H ILE 61 HN ILE 61 -4.013 18.991 2.992 505 HA ILE 61 HA ILE 61 -1.362 20.025 2.297 506 HB ILE 61 HB ILE 61 -2.041 17.555 3.956 507 HG12 ILE 61 HG12 ILE 61 -1.486 20.282 5.175 508 HG13 ILE 61 HG11 ILE 61 -3.117 19.758 4.777 509 HG21 ILE 61 HG21 ILE 61 0.180 17.861 4.986 510 HG22 ILE 61 HG22 ILE 61 0.474 19.267 3.960 511 HG23 ILE 61 HG23 ILE 61 0.311 17.667 3.236 512 HD11 ILE 61 HD11 ILE 61 -2.956 17.905 6.302 513 HD12 ILE 61 HD12 ILE 61 -2.540 19.410 7.132 514 HD13 ILE 61 HD13 ILE 61 -1.263 18.294 6.646 515 H GLN 62 HN GLN 62 -0.438 19.288 0.461 516 HA GLN 62 HA GLN 62 -1.028 16.574 -0.570 517 HB2 GLN 62 HB2 GLN 62 0.046 17.299 -2.643 518 HB3 GLN 62 HB1 GLN 62 -1.214 18.439 -2.205 519 HG2 GLN 62 HG2 GLN 62 0.372 20.097 -1.525 520 HG3 GLN 62 HG1 GLN 62 1.697 18.941 -1.534 521 HE21 GLN 62 HE21 GLN 62 2.623 18.326 -3.493 522 HE22 GLN 62 HE22 GLN 62 2.374 19.230 -4.946 523 H LYS 63 HN LYS 63 1.093 15.589 -1.621 524 HA LYS 63 HA LYS 63 3.071 15.120 0.320 525 HB2 LYS 63 HB2 LYS 63 4.430 14.142 -1.494 526 HB3 LYS 63 HB1 LYS 63 2.783 13.546 -1.534 527 HG2 LYS 63 HG2 LYS 63 2.270 15.126 -3.382 528 HG3 LYS 63 HG1 LYS 63 3.962 15.643 -3.380 529 HD2 LYS 63 HD2 LYS 63 2.980 12.806 -3.869 530 HD3 LYS 63 HD1 LYS 63 3.502 13.930 -5.124 531 HE2 LYS 63 HE2 LYS 63 5.395 13.276 -2.872 532 HE3 LYS 63 HE1 LYS 63 5.160 12.123 -4.160 533 HZ1 LYS 63 HZ1 LYS 63 7.018 13.590 -4.588 534 HZ2 LYS 63 HZ2 LYS 63 6.008 14.937 -4.516 535 HZ3 LYS 63 HZ3 LYS 63 5.818 13.800 -5.754 536 H GLU 64 HN GLU 64 5.088 15.936 0.624 537 HA GLU 64 HA GLU 64 6.782 17.382 0.812 538 HB2 GLU 64 HB2 GLU 64 6.008 18.156 -2.013 539 HB3 GLU 64 HB1 GLU 64 7.484 18.696 -1.216 540 HG2 GLU 64 HG2 GLU 64 8.370 16.467 -1.148 541 HG3 GLU 64 HG1 GLU 64 6.813 15.772 -1.609 542 H SER 65 HN SER 65 3.697 18.366 1.081 543 HA SER 65 HA SER 65 4.032 21.210 1.227 544 HB2 SER 65 HB2 SER 65 2.018 19.410 2.636 545 HB3 SER 65 HB1 SER 65 1.942 21.174 2.601 546 HG SER 65 HG SER 65 2.176 19.913 0.150 547 H THR 66 HN THR 66 4.724 22.474 2.900 548 HA THR 66 HA THR 66 5.996 21.152 5.194 549 HB THR 66 HB THR 66 6.299 24.046 4.280 550 HG1 THR 66 HG1 THR 66 7.175 21.886 3.079 551 HG21 THR 66 HG21 THR 66 8.003 22.368 6.177 552 HG22 THR 66 HG22 THR 66 6.891 23.641 6.680 553 HG23 THR 66 HG23 THR 66 8.311 24.043 5.711 554 H LEU 67 HN LEU 67 5.124 21.274 7.140 555 HA LEU 67 HA LEU 67 3.120 23.321 7.848 556 HB2 LEU 67 HB2 LEU 67 1.774 21.564 9.015 557 HB3 LEU 67 HB1 LEU 67 1.755 21.412 7.275 558 HG LEU 67 HG LEU 67 3.643 19.695 8.915 559 HD11 LEU 67 HD11 LEU 67 0.742 19.010 8.339 560 HD12 LEU 67 HD12 LEU 67 1.423 19.374 9.925 561 HD13 LEU 67 HD13 LEU 67 1.947 17.933 9.055 562 HD21 LEU 67 HD21 LEU 67 3.953 19.697 6.461 563 HD22 LEU 67 HD22 LEU 67 2.273 19.201 6.240 564 HD23 LEU 67 HD23 LEU 67 3.419 18.119 7.039 565 H HIS 68 HN HIS 68 2.682 23.031 10.349 566 HA HIS 68 HA HIS 68 5.365 23.176 11.588 567 HB2 HIS 68 HB2 HIS 68 2.739 24.489 12.415 568 HB3 HIS 68 HB1 HIS 68 4.252 24.617 13.314 569 HD1 HIS 68 HD1 HIS 68 5.861 26.404 12.593 570 HD2 HIS 68 HD2 HIS 68 2.901 25.737 9.749 571 HE1 HIS 68 HE1 HIS 68 6.159 28.198 10.873 572 HE2 HIS 68 HE2 HIS 68 4.506 27.633 9.067 573 H LEU 69 HN LEU 69 5.690 22.493 13.700 574 HA LEU 69 HA LEU 69 3.901 20.428 14.807 575 HB2 LEU 69 HB2 LEU 69 5.856 19.537 13.343 576 HB3 LEU 69 HB1 LEU 69 6.926 20.094 14.604 577 HG LEU 69 HG LEU 69 6.382 17.616 14.633 578 HD11 LEU 69 HD11 LEU 69 7.248 18.735 16.648 579 HD12 LEU 69 HD12 LEU 69 6.185 17.388 17.026 580 HD13 LEU 69 HD13 LEU 69 5.593 19.045 17.181 581 HD21 LEU 69 HD21 LEU 69 3.625 18.561 15.483 582 HD22 LEU 69 HD22 LEU 69 4.201 16.896 15.507 583 HD23 LEU 69 HD23 LEU 69 4.038 17.739 13.972 584 H VAL 70 HN VAL 70 3.737 20.570 16.938 585 HA VAL 70 HA VAL 70 5.345 22.590 18.400 586 HB VAL 70 HB VAL 70 2.412 21.821 18.739 587 HG11 VAL 70 HG11 VAL 70 4.015 23.897 20.288 588 HG12 VAL 70 HG12 VAL 70 3.426 22.363 20.923 589 HG13 VAL 70 HG13 VAL 70 2.281 23.607 20.441 590 HG21 VAL 70 HG21 VAL 70 1.912 24.056 17.865 591 HG22 VAL 70 HG22 VAL 70 2.917 23.193 16.712 592 HG23 VAL 70 HG23 VAL 70 3.629 24.435 17.742 593 H LEU 71 HN LEU 71 6.514 21.800 20.020 594 HA LEU 71 HA LEU 71 6.041 19.098 21.061 595 HB2 LEU 71 HB2 LEU 71 8.339 21.030 21.580 596 HB3 LEU 71 HB1 LEU 71 8.242 19.361 22.122 597 HG LEU 71 HG LEU 71 8.406 20.242 19.216 598 HD11 LEU 71 HD11 LEU 71 10.678 19.295 19.227 599 HD12 LEU 71 HD12 LEU 71 10.542 18.970 20.957 600 HD13 LEU 71 HD13 LEU 71 10.532 20.634 20.366 601 HD21 LEU 71 HD21 LEU 71 8.706 17.846 18.701 602 HD22 LEU 71 HD22 LEU 71 7.135 18.159 19.431 603 HD23 LEU 71 HD23 LEU 71 8.425 17.442 20.398 604 H ARG 72 HN ARG 72 4.855 18.851 22.816 605 HA ARG 72 HA ARG 72 4.334 20.999 24.752 606 HB2 ARG 72 HB2 ARG 72 3.240 18.150 24.539 607 HB3 ARG 72 HB1 ARG 72 2.740 19.321 25.761 608 HG2 ARG 72 HG2 ARG 72 1.790 20.770 24.019 609 HG3 ARG 72 HG1 ARG 72 2.352 19.656 22.768 610 HD2 ARG 72 HD2 ARG 72 -0.028 19.299 23.197 611 HD3 ARG 72 HD1 ARG 72 0.891 17.878 23.708 612 HE ARG 72 HE ARG 72 0.102 19.939 25.670 613 HH11 ARG 72 HH11 ARG 72 -0.070 16.571 24.651 614 HH12 ARG 72 HH12 ARG 72 -0.943 16.074 26.061 615 HH21 ARG 72 HH21 ARG 72 -1.039 19.247 27.503 616 HH22 ARG 72 HH22 ARG 72 -1.506 17.584 27.659 617 H LEU 73 HN LEU 73 5.868 17.847 24.493 618 HA LEU 73 HA LEU 73 7.193 16.572 25.790 619 HB2 LEU 73 HB2 LEU 73 8.381 19.310 26.357 620 HB3 LEU 73 HB1 LEU 73 9.205 17.783 26.654 621 HG LEU 73 HG LEU 73 8.322 18.804 23.920 622 HD11 LEU 73 HD11 LEU 73 10.693 19.060 23.411 623 HD12 LEU 73 HD12 LEU 73 11.113 18.580 25.056 624 HD13 LEU 73 HD13 LEU 73 10.217 20.073 24.772 625 HD21 LEU 73 HD21 LEU 73 9.546 16.888 22.968 626 HD22 LEU 73 HD22 LEU 73 8.219 16.348 23.992 627 HD23 LEU 73 HD23 LEU 73 9.877 16.279 24.594 628 H ARG 74 HN ARG 74 4.796 17.112 27.048 629 HA ARG 74 HA ARG 74 4.841 17.879 29.738 630 HB2 ARG 74 HB2 ARG 74 3.060 15.859 28.318 631 HB3 ARG 74 HB1 ARG 74 2.729 16.503 29.921 632 HG2 ARG 74 HG2 ARG 74 2.973 18.274 27.469 633 HG3 ARG 74 HG1 ARG 74 1.447 17.548 27.974 634 HD2 ARG 74 HD2 ARG 74 3.139 19.420 29.669 635 HD3 ARG 74 HD1 ARG 74 1.682 19.878 28.779 636 HE ARG 74 HE ARG 74 0.935 17.759 30.381 637 HH11 ARG 74 HH11 ARG 74 2.283 20.949 31.052 638 HH12 ARG 74 HH12 ARG 74 1.436 21.099 32.559 639 HH21 ARG 74 HH21 ARG 74 -0.124 17.975 32.345 640 HH22 ARG 74 HH22 ARG 74 0.087 19.410 33.297 641 H GLY 75 HN GLY 75 5.793 14.864 28.250 642 HA2 GLY 75 HA2 GLY 75 7.182 14.086 30.716 643 HA3 GLY 75 HA1 GLY 75 6.042 12.921 30.040 644 H GLY 76 HN GLY 76 8.305 15.184 28.494 645 HA2 GLY 76 HA2 GLY 76 9.795 12.957 27.235 646 HA3 GLY 76 HA1 GLY 76 8.989 14.140 26.205 647 H1 GLY 195 HN GLY 195 15.852 18.530 22.881 648 HA2 GLY 195 HA2 GLY 195 16.951 17.030 24.727 649 HA3 GLY 195 HA1 GLY 195 18.375 17.982 24.321 650 H SER 196 HN SER 196 14.926 18.540 24.978 651 HA SER 196 HA SER 196 15.417 21.063 26.304 652 HB2 SER 196 HB2 SER 196 12.826 19.483 25.996 653 HB3 SER 196 HB1 SER 196 12.968 21.176 26.489 654 HG SER 196 HG SER 196 12.991 21.659 24.454 655 H ARG 197 HN ARG 197 16.676 20.477 28.103 656 HA ARG 197 HA ARG 197 15.401 18.971 30.295 657 HB2 ARG 197 HB2 ARG 197 17.935 18.851 29.660 658 HB3 ARG 197 HB1 ARG 197 18.076 20.437 30.404 659 HG2 ARG 197 HG2 ARG 197 18.762 18.762 32.009 660 HG3 ARG 197 HG1 ARG 197 17.229 19.452 32.554 661 HD2 ARG 197 HD2 ARG 197 16.016 17.506 31.635 662 HD3 ARG 197 HD1 ARG 197 17.538 16.814 31.064 663 HE ARG 197 HE ARG 197 16.820 17.212 33.914 664 HH11 ARG 197 HH11 ARG 197 18.612 15.409 31.477 665 HH12 ARG 197 HH12 ARG 197 19.030 14.129 32.571 666 HH21 ARG 197 HH21 ARG 197 17.363 15.516 35.319 667 HH22 ARG 197 HH22 ARG 197 18.314 14.183 34.744 668 H GLN 198 HN GLN 198 15.388 22.033 29.000 669 HA GLN 198 HA GLN 198 14.443 23.349 31.483 670 HB2 GLN 198 HB2 GLN 198 15.836 24.609 29.068 671 HB3 GLN 198 HB1 GLN 198 15.250 25.489 30.477 672 HG2 GLN 198 HG2 GLN 198 16.910 24.414 31.896 673 HG3 GLN 198 HG1 GLN 198 17.423 23.373 30.571 674 HE21 GLN 198 HE21 GLN 198 17.540 26.627 31.866 675 HE22 GLN 198 HE22 GLN 198 18.827 27.188 30.859 676 H VAL 199 HN VAL 199 12.719 24.999 31.037 677 HA VAL 199 HA VAL 199 10.706 24.074 29.259 678 HB VAL 199 HB VAL 199 10.007 25.240 31.260 679 HG11 VAL 199 HG11 VAL 199 10.357 27.642 31.672 680 HG12 VAL 199 HG12 VAL 199 11.368 27.753 30.230 681 HG13 VAL 199 HG13 VAL 199 11.885 26.766 31.598 682 HG21 VAL 199 HG21 VAL 199 9.243 26.921 28.829 683 HG22 VAL 199 HG22 VAL 199 8.343 26.819 30.344 684 HG23 VAL 199 HG23 VAL 199 8.491 25.398 29.315 685 H THR 200 HN THR 200 10.574 24.326 27.146 686 HA THR 200 HA THR 200 12.696 25.575 25.722 687 HB THR 200 HB THR 200 10.174 24.251 24.641 688 HG1 THR 200 HG1 THR 200 11.020 22.542 25.535 689 HG21 THR 200 HG21 THR 200 11.559 23.734 22.668 690 HG22 THR 200 HG22 THR 200 12.915 24.624 23.367 691 HG23 THR 200 HG23 THR 200 11.437 25.475 22.911 692 H LYS 201 HN LYS 201 12.768 27.502 24.668 693 HA LYS 201 HA LYS 201 10.432 29.274 24.545 694 HB2 LYS 201 HB2 LYS 201 13.311 29.748 23.614 695 HB3 LYS 201 HB1 LYS 201 12.020 30.939 23.532 696 HG2 LYS 201 HG2 LYS 201 13.377 31.506 25.409 697 HG3 LYS 201 HG1 LYS 201 11.870 30.856 26.049 698 HD2 LYS 201 HD2 LYS 201 13.801 30.032 27.332 699 HD3 LYS 201 HD1 LYS 201 12.984 28.701 26.510 700 HE2 LYS 201 HE2 LYS 201 14.719 28.777 24.719 701 HE3 LYS 201 HE1 LYS 201 15.552 30.057 25.606 702 HZ1 LYS 201 HZ1 LYS 201 16.555 27.935 26.068 703 HZ2 LYS 201 HZ2 LYS 201 15.072 27.284 26.547 704 HZ3 LYS 201 HZ3 LYS 201 15.795 28.503 27.469 705 H VAL 202 HN VAL 202 9.217 29.413 22.776 706 HA VAL 202 HA VAL 202 10.034 28.270 20.192 707 HB VAL 202 HB VAL 202 7.779 26.971 20.189 708 HG11 VAL 202 HG11 VAL 202 9.913 25.752 20.338 709 HG12 VAL 202 HG12 VAL 202 8.692 24.982 21.356 710 HG13 VAL 202 HG13 VAL 202 9.946 25.983 22.089 711 HG21 VAL 202 HG21 VAL 202 8.024 27.368 23.203 712 HG22 VAL 202 HG22 VAL 202 6.866 26.311 22.390 713 HG23 VAL 202 HG23 VAL 202 6.773 28.057 22.166 714 H ASP 203 HN ASP 203 7.804 28.443 18.765 715 HA ASP 203 HA ASP 203 6.724 31.190 19.143 716 HB2 ASP 203 HB2 ASP 203 7.564 29.851 16.528 717 HB3 ASP 203 HB1 ASP 203 6.676 31.369 16.619 718 H CYS 204 HN CYS 204 4.571 31.457 18.777 719 HA CYS 204 HA CYS 204 2.806 29.184 18.408 720 HB2 CYS 204 HB2 CYS 204 2.298 31.025 20.055 721 HB3 CYS 204 HB1 CYS 204 2.137 32.140 18.725 722 HA PRO 205 HA PRO 205 3.672 30.031 13.977 723 HB2 PRO 205 HB2 PRO 205 2.185 27.889 12.965 724 HB3 PRO 205 HB1 PRO 205 3.845 27.762 13.559 725 HG2 PRO 205 HG2 PRO 205 1.266 27.199 15.027 726 HG3 PRO 205 HG1 PRO 205 2.745 26.209 14.945 727 HD2 PRO 205 HD2 PRO 205 2.311 27.730 17.077 728 HD3 PRO 205 HD1 PRO 205 3.936 27.659 16.380 729 H VAL 206 HN VAL 206 0.529 29.792 15.454 730 HA VAL 206 HA VAL 206 -1.029 30.361 13.117 731 HB VAL 206 HB VAL 206 -1.935 30.578 16.025 732 HG11 VAL 206 HG11 VAL 206 -4.192 30.130 15.098 733 HG12 VAL 206 HG12 VAL 206 -3.522 30.125 13.464 734 HG13 VAL 206 HG13 VAL 206 -3.490 31.602 14.428 735 HG21 VAL 206 HG21 VAL 206 -0.936 28.349 15.640 736 HG22 VAL 206 HG22 VAL 206 -1.981 28.103 14.239 737 HG23 VAL 206 HG23 VAL 206 -2.683 28.223 15.855 738 H CYS 207 HN CYS 207 -0.165 32.325 16.027 739 HA CYS 207 HA CYS 207 -1.099 34.756 14.600 740 HB2 CYS 207 HB2 CYS 207 -1.485 35.826 16.720 741 HB3 CYS 207 HB1 CYS 207 -2.253 34.243 16.778 742 H GLY 208 HN GLY 208 1.722 33.165 15.477 743 HA2 GLY 208 HA2 GLY 208 3.867 33.672 14.854 744 HA3 GLY 208 HA1 GLY 208 3.284 35.197 14.225 745 H VAL 209 HN VAL 209 3.347 33.893 17.567 746 HA VAL 209 HA VAL 209 5.013 36.210 18.428 747 HB VAL 209 HB VAL 209 3.837 36.182 20.616 748 HG11 VAL 209 HG11 VAL 209 1.913 36.424 18.273 749 HG12 VAL 209 HG12 VAL 209 2.993 37.688 18.868 750 HG13 VAL 209 HG13 VAL 209 1.669 37.114 19.882 751 HG21 VAL 209 HG21 VAL 209 3.168 33.811 20.733 752 HG22 VAL 209 HG22 VAL 209 2.029 34.039 19.405 753 HG23 VAL 209 HG23 VAL 209 1.762 34.852 20.950 754 H ASN 210 HN ASN 210 6.778 35.773 19.771 755 HA ASN 210 HA ASN 210 7.532 32.958 20.088 756 HB2 ASN 210 HB2 ASN 210 9.192 34.612 19.193 757 HB3 ASN 210 HB1 ASN 210 9.170 35.445 20.744 758 HD21 ASN 210 HD21 ASN 210 10.006 32.425 19.143 759 HD22 ASN 210 HD22 ASN 210 11.148 31.897 20.325 760 H ILE 211 HN ILE 211 7.119 31.897 21.905 761 HA ILE 211 HA ILE 211 6.856 33.156 24.532 762 HB ILE 211 HB ILE 211 4.589 31.974 24.858 763 HG12 ILE 211 HG12 ILE 211 4.693 31.824 21.805 764 HG13 ILE 211 HG11 ILE 211 4.678 30.456 22.912 765 HG21 ILE 211 HG21 ILE 211 3.239 33.791 23.891 766 HG22 ILE 211 HG22 ILE 211 4.594 34.275 22.871 767 HG23 ILE 211 HG23 ILE 211 4.714 34.424 24.624 768 HD11 ILE 211 HD11 ILE 211 2.531 30.741 21.889 769 HD12 ILE 211 HD12 ILE 211 2.439 32.411 22.450 770 HD13 ILE 211 HD13 ILE 211 2.411 31.083 23.616 771 HA PRO 212 HA PRO 212 8.538 29.188 25.854 772 HB2 PRO 212 HB2 PRO 212 7.403 28.846 28.350 773 HB3 PRO 212 HB1 PRO 212 8.737 29.962 28.011 774 HG2 PRO 212 HG2 PRO 212 5.788 30.548 28.219 775 HG3 PRO 212 HG1 PRO 212 7.160 31.446 28.907 776 HD2 PRO 212 HD2 PRO 212 5.930 32.268 26.644 777 HD3 PRO 212 HD1 PRO 212 7.683 32.461 26.863 778 H GLU 213 HN GLU 213 7.954 27.021 26.656 779 HA GLU 213 HA GLU 213 6.487 25.774 24.674 780 HB2 GLU 213 HB2 GLU 213 8.481 24.899 25.846 781 HB3 GLU 213 HB1 GLU 213 7.530 24.667 27.299 782 HG2 GLU 213 HG2 GLU 213 6.117 23.016 25.982 783 HG3 GLU 213 HG1 GLU 213 7.304 23.153 24.685 784 H SER 214 HN SER 214 5.532 26.063 28.162 785 HA SER 214 HA SER 214 3.112 24.560 27.847 786 HB2 SER 214 HB2 SER 214 3.747 26.571 30.047 787 HB3 SER 214 HB1 SER 214 2.581 25.237 30.124 788 HG SER 214 HG SER 214 4.677 23.983 29.532 789 H HIS 215 HN HIS 215 3.940 27.970 27.727 790 HA HIS 215 HA HIS 215 1.328 29.081 27.566 791 HB2 HIS 215 HB2 HIS 215 4.085 30.127 26.807 792 HB3 HIS 215 HB1 HIS 215 2.632 31.085 26.551 793 HD1 HIS 215 HD1 HIS 215 3.078 32.888 28.213 794 HD2 HIS 215 HD2 HIS 215 3.330 29.104 29.907 795 HE1 HIS 215 HE1 HIS 215 3.338 33.269 30.676 796 HE2 HIS 215 HE2 HIS 215 3.273 30.972 31.692 797 H ILE 216 HN ILE 216 3.538 27.692 25.199 798 HA ILE 216 HA ILE 216 2.328 28.872 22.911 799 HB ILE 216 HB ILE 216 4.751 27.814 23.142 800 HG12 ILE 216 HG12 ILE 216 3.769 28.992 21.103 801 HG13 ILE 216 HG11 ILE 216 5.022 27.811 20.753 802 HG21 ILE 216 HG21 ILE 216 5.030 25.594 22.096 803 HG22 ILE 216 HG22 ILE 216 3.280 25.388 22.042 804 HG23 ILE 216 HG23 ILE 216 4.105 25.486 23.586 805 HD11 ILE 216 HD11 ILE 216 2.058 27.470 20.377 806 HD12 ILE 216 HD12 ILE 216 3.252 26.195 20.131 807 HD13 ILE 216 HD13 ILE 216 3.292 27.640 19.131 808 H ASN 217 HN ASN 217 2.013 25.686 24.512 809 HA ASN 217 HA ASN 217 0.253 24.523 22.630 810 HB2 ASN 217 HB2 ASN 217 1.494 23.303 24.487 811 HB3 ASN 217 HB1 ASN 217 0.289 23.917 25.619 812 HD21 ASN 217 HD21 ASN 217 -0.866 22.150 26.148 813 HD22 ASN 217 HD22 ASN 217 -1.624 21.068 25.033 814 H LYS 218 HN LYS 218 -0.395 26.359 25.604 815 HA LYS 218 HA LYS 218 -3.208 26.342 25.615 816 HB2 LYS 218 HB2 LYS 218 -1.896 27.111 27.530 817 HB3 LYS 218 HB1 LYS 218 -1.233 28.452 26.595 818 HG2 LYS 218 HG2 LYS 218 -3.583 29.371 26.386 819 HG3 LYS 218 HG1 LYS 218 -4.117 28.105 27.496 820 HD2 LYS 218 HD2 LYS 218 -2.653 29.010 29.257 821 HD3 LYS 218 HD1 LYS 218 -2.038 30.232 28.139 822 HE2 LYS 218 HE2 LYS 218 -4.302 31.206 27.961 823 HE3 LYS 218 HE1 LYS 218 -4.914 29.991 29.086 824 HZ1 LYS 218 HZ1 LYS 218 -4.486 32.050 30.212 825 HZ2 LYS 218 HZ2 LYS 218 -2.879 32.063 29.686 826 HZ3 LYS 218 HZ3 LYS 218 -3.408 30.871 30.764 827 H HIS 219 HN HIS 219 -0.936 28.701 24.211 828 HA HIS 219 HA HIS 219 -2.751 30.637 23.338 829 HB2 HIS 219 HB2 HIS 219 0.059 30.358 23.250 830 HB3 HIS 219 HB1 HIS 219 -0.380 30.445 21.555 831 HD2 HIS 219 HD2 HIS 219 -0.897 32.604 24.813 832 HE1 HIS 219 HE1 HIS 219 -0.751 35.166 21.460 833 HE2 HIS 219 HE2 HIS 219 -0.702 35.040 23.982 834 H LEU 220 HN LEU 220 -1.420 27.807 21.722 835 HA LEU 220 HA LEU 220 -2.464 28.141 19.157 836 HB2 LEU 220 HB2 LEU 220 -1.951 25.597 20.721 837 HB3 LEU 220 HB1 LEU 220 -2.321 25.636 18.995 838 HG LEU 220 HG LEU 220 0.089 26.915 20.286 839 HD11 LEU 220 HD11 LEU 220 0.192 24.509 20.435 840 HD12 LEU 220 HD12 LEU 220 1.367 25.129 19.275 841 HD13 LEU 220 HD13 LEU 220 -0.117 24.368 18.701 842 HD21 LEU 220 HD21 LEU 220 -0.592 28.130 18.285 843 HD22 LEU 220 HD22 LEU 220 -0.624 26.631 17.355 844 HD23 LEU 220 HD23 LEU 220 0.896 27.242 17.997 845 H ASP 221 HN ASP 221 -3.777 26.383 21.954 846 HA ASP 221 HA ASP 221 -5.937 25.186 20.668 847 HB2 ASP 221 HB2 ASP 221 -5.014 24.602 22.957 848 HB3 ASP 221 HB1 ASP 221 -5.879 25.994 23.606 849 H SER 222 HN SER 222 -5.626 28.403 22.026 850 HA SER 222 HA SER 222 -8.430 29.137 21.621 851 HB2 SER 222 HB2 SER 222 -7.095 30.132 23.472 852 HB3 SER 222 HB1 SER 222 -5.990 30.850 22.297 853 HG SER 222 HG SER 222 -8.741 31.458 22.701 854 H CYS 223 HN CYS 223 -5.292 29.694 20.047 855 HA CYS 223 HA CYS 223 -6.132 31.652 18.171 856 HB2 CYS 223 HB2 CYS 223 -3.599 29.978 18.372 857 HB3 CYS 223 HB1 CYS 223 -3.827 31.229 17.153 858 H LEU 224 HN LEU 224 -6.154 28.155 18.066 859 HA LEU 224 HA LEU 224 -6.312 28.045 15.134 860 HB2 LEU 224 HB2 LEU 224 -5.859 25.655 15.306 861 HB3 LEU 224 HB1 LEU 224 -4.679 26.562 16.228 862 HG LEU 224 HG LEU 224 -6.109 25.918 18.321 863 HD11 LEU 224 HD11 LEU 224 -7.087 23.746 16.450 864 HD12 LEU 224 HD12 LEU 224 -8.074 24.990 17.219 865 HD13 LEU 224 HD13 LEU 224 -7.281 23.764 18.205 866 HD21 LEU 224 HD21 LEU 224 -4.452 23.817 16.893 867 HD22 LEU 224 HD22 LEU 224 -4.845 23.832 18.614 868 HD23 LEU 224 HD23 LEU 224 -3.840 25.108 17.933 869 H SER 225 HN SER 225 -8.198 27.724 18.010 870 HA SER 225 HA SER 225 -10.511 26.485 16.925 871 HB2 SER 225 HB2 SER 225 -10.048 26.666 19.379 872 HB3 SER 225 HB1 SER 225 -10.309 28.408 19.288 873 HG SER 225 HG SER 225 -12.211 27.474 19.939 874 H ARG 226 HN ARG 226 -9.321 29.807 17.030 875 HA ARG 226 HA ARG 226 -11.541 30.967 15.579 876 HB2 ARG 226 HB2 ARG 226 -8.794 31.919 16.440 877 HB3 ARG 226 HB1 ARG 226 -9.620 32.801 15.167 878 HG2 ARG 226 HG2 ARG 226 -9.958 33.902 17.298 879 HG3 ARG 226 HG1 ARG 226 -11.491 33.293 16.685 880 HD2 ARG 226 HD2 ARG 226 -9.878 31.746 18.731 881 HD3 ARG 226 HD1 ARG 226 -10.993 33.027 19.209 882 HE ARG 226 HE ARG 226 -12.350 31.206 17.533 883 HH11 ARG 226 HH11 ARG 226 -10.981 31.273 20.771 884 HH12 ARG 226 HH12 ARG 226 -12.143 30.154 21.412 885 HH21 ARG 226 HH21 ARG 226 -13.847 29.722 18.394 886 HH22 ARG 226 HH22 ARG 226 -13.763 29.286 20.071 887 H GLU 227 HN GLU 227 -11.643 29.267 13.950 888 HA GLU 227 HA GLU 227 -9.529 29.307 11.892 889 HB2 GLU 227 HB2 GLU 227 -10.958 27.158 13.047 890 HB3 GLU 227 HB1 GLU 227 -11.739 27.354 11.487 891 HG2 GLU 227 HG2 GLU 227 -8.808 26.807 12.021 892 HG3 GLU 227 HG1 GLU 227 -9.982 25.707 11.305 Start of MODEL 9 1 H1 GLY -2 HT1 GLY -2 4.161 -0.516 -3.766 2 H2 GLY -2 HT2 GLY -2 3.250 -1.564 -2.806 3 H3 GLY -2 HT3 GLY -2 4.536 -0.702 -2.130 4 HA2 GLY -2 HA1 GLY -2 2.040 0.468 -3.213 5 HA3 GLY -2 HA2 GLY -2 2.419 0.271 -1.506 6 H SER -1 HN SER -1 3.033 2.116 -4.409 7 HA SER -1 HA SER -1 5.210 3.702 -3.469 8 HB2 SER -1 HB2 SER -1 4.572 5.161 -5.471 9 HB3 SER -1 HB1 SER -1 4.917 3.474 -5.845 10 HG SER -1 HG SER -1 2.989 3.358 -6.659 11 H HIS 0 HN HIS 0 5.056 5.125 -1.832 12 HA HIS 0 HA HIS 0 2.567 6.689 -1.404 13 HB2 HIS 0 HB2 HIS 0 4.831 6.193 0.590 14 HB3 HIS 0 HB1 HIS 0 3.286 6.974 0.925 15 HD1 HIS 0 HD1 HIS 0 1.158 5.174 0.205 16 HD2 HIS 0 HD2 HIS 0 4.802 3.620 1.455 17 HE1 HIS 0 HE1 HIS 0 0.680 2.823 0.916 18 HE2 HIS 0 HE2 HIS 0 2.930 1.847 1.469 19 H MET 1 HN MET 1 3.232 8.867 -0.197 20 HA MET 1 HA MET 1 5.283 10.249 -1.839 21 HB2 MET 1 HB2 MET 1 2.740 11.398 -0.608 22 HB3 MET 1 HB1 MET 1 3.911 12.287 -1.579 23 HG2 MET 1 HG2 MET 1 2.154 10.015 -2.523 24 HG3 MET 1 HG1 MET 1 1.984 11.729 -2.936 25 HE1 MET 1 HE1 MET 1 1.970 11.045 -5.572 26 HE2 MET 1 HE2 MET 1 2.144 9.349 -5.118 27 HE3 MET 1 HE3 MET 1 3.233 10.059 -6.309 28 H GLN 2 HN GLN 2 6.195 12.213 -0.702 29 HA GLN 2 HA GLN 2 6.468 11.779 2.209 30 HB2 GLN 2 HB2 GLN 2 8.624 12.641 0.252 31 HB3 GLN 2 HB1 GLN 2 8.773 12.840 1.991 32 HG2 GLN 2 HG2 GLN 2 9.890 10.839 1.726 33 HG3 GLN 2 HG1 GLN 2 8.273 10.231 2.034 34 HE21 GLN 2 HE21 GLN 2 10.675 10.834 -0.401 35 HE22 GLN 2 HE22 GLN 2 10.054 9.757 -1.592 36 H ILE 3 HN ILE 3 6.402 13.495 3.535 37 HA ILE 3 HA ILE 3 6.161 16.236 2.440 38 HB ILE 3 HB ILE 3 4.452 16.813 4.218 39 HG12 ILE 3 HG12 ILE 3 4.842 14.716 5.651 40 HG13 ILE 3 HG11 ILE 3 3.159 15.151 5.399 41 HG21 ILE 3 HG21 ILE 3 3.760 16.591 1.901 42 HG22 ILE 3 HG22 ILE 3 2.490 15.995 2.971 43 HG23 ILE 3 HG23 ILE 3 3.517 14.852 2.103 44 HD11 ILE 3 HD11 ILE 3 2.948 13.395 3.708 45 HD12 ILE 3 HD12 ILE 3 3.490 12.754 5.258 46 HD13 ILE 3 HD13 ILE 3 4.644 12.964 3.943 47 H PHE 4 HN PHE 4 6.653 17.903 4.009 48 HA PHE 4 HA PHE 4 8.760 17.013 5.915 49 HB2 PHE 4 HB2 PHE 4 8.650 19.576 4.246 50 HB3 PHE 4 HB1 PHE 4 9.932 19.139 5.375 51 HD1 PHE 4 HD1 PHE 4 11.446 17.201 4.863 52 HD2 PHE 4 HD2 PHE 4 8.586 18.610 2.006 53 HE1 PHE 4 HE1 PHE 4 12.604 15.964 3.082 54 HE2 PHE 4 HE2 PHE 4 9.763 17.372 0.229 55 HZ PHE 4 HZ PHE 4 11.769 16.048 0.766 56 H VAL 5 HN VAL 5 7.976 17.189 7.890 57 HA VAL 5 HA VAL 5 6.237 19.448 8.681 58 HB VAL 5 HB VAL 5 6.673 16.735 10.045 59 HG11 VAL 5 HG11 VAL 5 4.721 18.972 10.741 60 HG12 VAL 5 HG12 VAL 5 6.133 18.480 11.678 61 HG13 VAL 5 HG13 VAL 5 4.772 17.376 11.500 62 HG21 VAL 5 HG21 VAL 5 5.407 16.541 7.925 63 HG22 VAL 5 HG22 VAL 5 4.254 17.754 8.480 64 HG23 VAL 5 HG23 VAL 5 4.371 16.202 9.311 65 H LYS 6 HN LYS 6 7.193 20.989 9.885 66 HA LYS 6 HA LYS 6 9.942 20.579 10.889 67 HB2 LYS 6 HB2 LYS 6 9.326 22.304 9.012 68 HB3 LYS 6 HB1 LYS 6 8.598 23.250 10.301 69 HG2 LYS 6 HG2 LYS 6 10.722 24.188 10.114 70 HG3 LYS 6 HG1 LYS 6 10.926 23.061 11.461 71 HD2 LYS 6 HD2 LYS 6 11.900 21.390 9.902 72 HD3 LYS 6 HD1 LYS 6 11.699 22.529 8.565 73 HE2 LYS 6 HE2 LYS 6 13.205 24.122 9.823 74 HE3 LYS 6 HE1 LYS 6 13.501 22.822 10.979 75 HZ1 LYS 6 HZ1 LYS 6 14.085 22.664 8.081 76 HZ2 LYS 6 HZ2 LYS 6 14.452 21.500 9.251 77 HZ3 LYS 6 HZ3 LYS 6 15.223 23.002 9.282 78 H THR 7 HN THR 7 10.204 20.626 13.127 79 HA THR 7 HA THR 7 8.048 21.372 14.895 80 HB THR 7 HB THR 7 9.672 20.957 16.750 81 HG1 THR 7 HG1 THR 7 11.754 20.192 16.183 82 HG21 THR 7 HG21 THR 7 8.388 19.060 15.865 83 HG22 THR 7 HG22 THR 7 9.995 18.551 16.385 84 HG23 THR 7 HG23 THR 7 9.647 18.757 14.670 85 H LEU 8 HN LEU 8 8.395 22.884 16.734 86 HA LEU 8 HA LEU 8 9.276 25.501 16.009 87 HB2 LEU 8 HB2 LEU 8 8.602 24.346 18.744 88 HB3 LEU 8 HB1 LEU 8 8.795 26.057 18.388 89 HG LEU 8 HG LEU 8 6.606 24.253 17.288 90 HD11 LEU 8 HD11 LEU 8 6.311 24.750 19.667 91 HD12 LEU 8 HD12 LEU 8 5.085 25.562 18.698 92 HD13 LEU 8 HD13 LEU 8 6.449 26.480 19.341 93 HD21 LEU 8 HD21 LEU 8 5.616 26.292 16.327 94 HD22 LEU 8 HD22 LEU 8 7.209 25.983 15.644 95 HD23 LEU 8 HD23 LEU 8 7.006 27.239 16.868 96 H THR 9 HN THR 9 10.842 22.757 17.522 97 HA THR 9 HA THR 9 13.166 24.207 18.471 98 HB THR 9 HB THR 9 14.138 21.883 18.820 99 HG1 THR 9 HG1 THR 9 12.521 20.156 18.635 100 HG21 THR 9 HG21 THR 9 11.394 22.359 20.053 101 HG22 THR 9 HG22 THR 9 12.922 23.006 20.656 102 HG23 THR 9 HG23 THR 9 12.631 21.267 20.685 103 H GLY 10 HN GLY 10 12.093 23.205 15.418 104 HA2 GLY 10 HA2 GLY 10 13.004 24.109 13.474 105 HA3 GLY 10 HA1 GLY 10 14.543 24.322 14.288 106 H LYS 11 HN LYS 11 13.037 21.217 14.517 107 HA LYS 11 HA LYS 11 15.060 20.045 12.736 108 HB2 LYS 11 HB2 LYS 11 14.839 18.040 13.898 109 HB3 LYS 11 HB1 LYS 11 14.455 19.185 15.176 110 HG2 LYS 11 HG2 LYS 11 12.026 18.820 14.692 111 HG3 LYS 11 HG1 LYS 11 12.493 17.608 13.499 112 HD2 LYS 11 HD2 LYS 11 13.250 17.403 16.437 113 HD3 LYS 11 HD1 LYS 11 11.727 16.775 15.805 114 HE2 LYS 11 HE2 LYS 11 13.260 14.949 15.911 115 HE3 LYS 11 HE1 LYS 11 13.061 15.356 14.210 116 HZ1 LYS 11 HZ1 LYS 11 15.334 16.231 15.907 117 HZ2 LYS 11 HZ2 LYS 11 15.179 16.447 14.235 118 HZ3 LYS 11 HZ3 LYS 11 15.364 14.895 14.875 119 H THR 12 HN THR 12 14.457 18.583 11.026 120 HA THR 12 HA THR 12 11.738 18.983 9.914 121 HB THR 12 HB THR 12 14.277 17.978 8.587 122 HG1 THR 12 HG1 THR 12 14.378 19.995 7.663 123 HG21 THR 12 HG21 THR 12 11.567 18.642 7.344 124 HG22 THR 12 HG22 THR 12 12.308 17.042 7.429 125 HG23 THR 12 HG23 THR 12 13.041 18.297 6.431 126 H ILE 13 HN ILE 13 10.377 17.314 9.713 127 HA ILE 13 HA ILE 13 11.262 14.523 10.215 128 HB ILE 13 HB ILE 13 8.542 15.758 10.869 129 HG12 ILE 13 HG12 ILE 13 9.433 14.871 13.302 130 HG13 ILE 13 HG11 ILE 13 10.984 15.234 12.573 131 HG21 ILE 13 HG21 ILE 13 7.994 13.581 11.905 132 HG22 ILE 13 HG22 ILE 13 9.532 12.930 11.338 133 HG23 ILE 13 HG23 ILE 13 8.307 13.432 10.176 134 HD11 ILE 13 HD11 ILE 13 10.283 17.532 12.192 135 HD12 ILE 13 HD12 ILE 13 10.142 17.081 13.891 136 HD13 ILE 13 HD13 ILE 13 8.698 17.171 12.885 137 H THR 14 HN THR 14 11.356 13.580 8.232 138 HA THR 14 HA THR 14 9.439 14.236 6.110 139 HB THR 14 HB THR 14 11.814 12.315 6.076 140 HG1 THR 14 HG1 THR 14 12.740 14.077 4.791 141 HG21 THR 14 HG21 THR 14 10.152 13.398 3.750 142 HG22 THR 14 HG22 THR 14 10.152 11.730 4.327 143 HG23 THR 14 HG23 THR 14 11.605 12.407 3.595 144 H LEU 15 HN LEU 15 7.575 13.114 5.976 145 HA LEU 15 HA LEU 15 7.340 10.402 7.166 146 HB2 LEU 15 HB2 LEU 15 5.074 12.277 6.364 147 HB3 LEU 15 HB1 LEU 15 4.899 10.729 7.156 148 HG LEU 15 HG LEU 15 4.552 12.306 8.869 149 HD11 LEU 15 HD11 LEU 15 6.079 10.502 9.531 150 HD12 LEU 15 HD12 LEU 15 6.379 11.980 10.430 151 HD13 LEU 15 HD13 LEU 15 7.468 11.513 9.123 152 HD21 LEU 15 HD21 LEU 15 7.023 13.820 7.967 153 HD22 LEU 15 HD22 LEU 15 5.975 14.237 9.327 154 HD23 LEU 15 HD23 LEU 15 5.347 14.303 7.681 155 H GLU 16 HN GLU 16 6.053 8.852 5.996 156 HA GLU 16 HA GLU 16 6.343 9.059 3.052 157 HB2 GLU 16 HB2 GLU 16 6.879 6.616 4.808 158 HB3 GLU 16 HB1 GLU 16 7.063 6.694 3.056 159 HG2 GLU 16 HG2 GLU 16 8.938 8.195 3.239 160 HG3 GLU 16 HG1 GLU 16 8.670 8.423 4.965 161 H VAL 17 HN VAL 17 4.080 9.768 3.233 162 HA VAL 17 HA VAL 17 2.133 7.558 3.400 163 HB VAL 17 HB VAL 17 0.524 8.865 4.728 164 HG11 VAL 17 HG11 VAL 17 1.565 8.836 6.956 165 HG12 VAL 17 HG12 VAL 17 3.166 8.707 6.224 166 HG13 VAL 17 HG13 VAL 17 1.998 7.396 6.032 167 HG21 VAL 17 HG21 VAL 17 2.671 10.993 4.963 168 HG22 VAL 17 HG22 VAL 17 1.120 11.003 5.800 169 HG23 VAL 17 HG23 VAL 17 1.170 11.117 4.041 170 H GLU 18 HN GLU 18 -0.175 8.889 2.865 171 HA GLU 18 HA GLU 18 0.376 9.939 0.147 172 HB2 GLU 18 HB2 GLU 18 -2.256 8.663 0.972 173 HB3 GLU 18 HB1 GLU 18 -1.507 8.736 -0.622 174 HG2 GLU 18 HG2 GLU 18 0.253 7.144 0.193 175 HG3 GLU 18 HG1 GLU 18 -0.629 7.024 1.708 176 HA PRO 19 HA PRO 19 -1.928 13.750 1.095 177 HB2 PRO 19 HB2 PRO 19 -3.342 14.149 -1.258 178 HB3 PRO 19 HB1 PRO 19 -1.621 14.519 -1.078 179 HG2 PRO 19 HG2 PRO 19 -2.911 12.038 -2.220 180 HG3 PRO 19 HG1 PRO 19 -1.575 13.007 -2.883 181 HD2 PRO 19 HD2 PRO 19 -1.074 10.723 -1.571 182 HD3 PRO 19 HD1 PRO 19 -0.015 12.135 -1.346 183 H SER 20 HN SER 20 -3.596 10.861 -0.042 184 HA SER 20 HA SER 20 -6.153 11.722 1.208 185 HB2 SER 20 HB2 SER 20 -6.259 11.254 -1.252 186 HB3 SER 20 HB1 SER 20 -5.705 9.610 -0.954 187 HG SER 20 HG SER 20 -8.174 10.448 -0.989 188 H ASP 21 HN ASP 21 -3.672 10.533 2.437 189 HA ASP 21 HA ASP 21 -4.410 7.920 3.414 190 HB2 ASP 21 HB2 ASP 21 -2.062 8.435 3.234 191 HB3 ASP 21 HB1 ASP 21 -2.240 9.915 4.159 192 H THR 22 HN THR 22 -3.488 10.187 5.916 193 HA THR 22 HA THR 22 -5.788 11.433 6.696 194 HB THR 22 HB THR 22 -6.883 9.277 7.137 195 HG1 THR 22 HG1 THR 22 -7.353 11.004 8.563 196 HG21 THR 22 HG21 THR 22 -4.679 8.693 9.144 197 HG22 THR 22 HG22 THR 22 -4.895 7.869 7.599 198 HG23 THR 22 HG23 THR 22 -6.119 7.712 8.861 199 H ILE 23 HN ILE 23 -5.387 12.742 8.456 200 HA ILE 23 HA ILE 23 -2.744 13.430 8.994 201 HB ILE 23 HB ILE 23 -5.257 14.202 10.545 202 HG12 ILE 23 HG12 ILE 23 -5.398 14.860 8.147 203 HG13 ILE 23 HG11 ILE 23 -5.313 16.270 9.187 204 HG21 ILE 23 HG21 ILE 23 -3.280 14.683 11.900 205 HG22 ILE 23 HG22 ILE 23 -4.024 16.182 11.357 206 HG23 ILE 23 HG23 ILE 23 -2.554 15.594 10.575 207 HD11 ILE 23 HD11 ILE 23 -3.025 15.127 7.582 208 HD12 ILE 23 HD12 ILE 23 -2.952 16.560 8.611 209 HD13 ILE 23 HD13 ILE 23 -3.977 16.555 7.176 210 H GLU 24 HN GLU 24 -5.031 11.510 10.898 211 HA GLU 24 HA GLU 24 -3.650 11.288 13.334 212 HB2 GLU 24 HB2 GLU 24 -5.984 10.546 13.019 213 HB3 GLU 24 HB1 GLU 24 -5.452 9.240 11.970 214 HG2 GLU 24 HG2 GLU 24 -4.243 8.217 13.889 215 HG3 GLU 24 HG1 GLU 24 -4.820 9.519 14.929 216 H ASN 25 HN ASN 25 -3.334 9.491 10.333 217 HA ASN 25 HA ASN 25 -1.505 7.488 11.301 218 HB2 ASN 25 HB2 ASN 25 -3.046 7.248 9.320 219 HB3 ASN 25 HB1 ASN 25 -2.036 8.356 8.434 220 HD21 ASN 25 HD21 ASN 25 -0.098 7.642 7.577 221 HD22 ASN 25 HD22 ASN 25 0.402 5.988 7.609 222 H VAL 26 HN VAL 26 -1.259 10.521 9.519 223 HA VAL 26 HA VAL 26 1.483 10.526 8.875 224 HB VAL 26 HB VAL 26 -0.219 12.993 9.503 225 HG11 VAL 26 HG11 VAL 26 2.312 12.774 7.817 226 HG12 VAL 26 HG12 VAL 26 2.180 13.540 9.400 227 HG13 VAL 26 HG13 VAL 26 1.334 14.234 8.017 228 HG21 VAL 26 HG21 VAL 26 -1.321 11.610 7.809 229 HG22 VAL 26 HG22 VAL 26 0.149 11.573 6.844 230 HG23 VAL 26 HG23 VAL 26 -0.710 13.094 7.081 231 H LYS 27 HN LYS 27 -0.217 11.762 11.751 232 HA LYS 27 HA LYS 27 2.125 12.830 13.019 233 HB2 LYS 27 HB2 LYS 27 0.693 13.380 14.876 234 HB3 LYS 27 HB1 LYS 27 -0.133 13.774 13.378 235 HG2 LYS 27 HG2 LYS 27 -1.505 11.728 13.611 236 HG3 LYS 27 HG1 LYS 27 -0.678 11.358 15.126 237 HD2 LYS 27 HD2 LYS 27 -2.816 12.409 15.625 238 HD3 LYS 27 HD1 LYS 27 -1.512 13.503 16.089 239 HE2 LYS 27 HE2 LYS 27 -1.858 14.728 13.921 240 HE3 LYS 27 HE1 LYS 27 -3.236 13.678 13.599 241 HZ1 LYS 27 HZ1 LYS 27 -2.975 15.549 15.892 242 HZ2 LYS 27 HZ2 LYS 27 -4.274 14.496 15.641 243 HZ3 LYS 27 HZ3 LYS 27 -3.978 15.748 14.544 244 H ALA 28 HN ALA 28 0.401 9.784 13.140 245 HA ALA 28 HA ALA 28 1.791 8.558 15.288 246 HB1 ALA 28 HB1 ALA 28 1.004 6.440 14.299 247 HB2 ALA 28 HB2 ALA 28 0.567 7.282 12.810 248 HB3 ALA 28 HB3 ALA 28 -0.286 7.644 14.311 249 H LYS 29 HN LYS 29 2.531 8.961 11.836 250 HA LYS 29 HA LYS 29 4.945 7.443 11.883 251 HB2 LYS 29 HB2 LYS 29 4.119 9.526 9.832 252 HB3 LYS 29 HB1 LYS 29 5.406 8.338 9.637 253 HG2 LYS 29 HG2 LYS 29 2.430 7.839 9.770 254 HG3 LYS 29 HG1 LYS 29 3.506 7.578 8.397 255 HD2 LYS 29 HD2 LYS 29 4.560 5.698 9.482 256 HD3 LYS 29 HD1 LYS 29 3.766 6.055 11.019 257 HE2 LYS 29 HE2 LYS 29 1.565 5.574 9.962 258 HE3 LYS 29 HE1 LYS 29 2.411 5.122 8.479 259 HZ1 LYS 29 HZ1 LYS 29 2.827 3.821 11.114 260 HZ2 LYS 29 HZ2 LYS 29 3.505 3.346 9.642 261 HZ3 LYS 29 HZ3 LYS 29 1.841 3.205 9.889 262 H ILE 30 HN ILE 30 4.202 10.786 12.591 263 HA ILE 30 HA ILE 30 6.870 11.783 12.555 264 HB ILE 30 HB ILE 30 4.429 12.754 14.080 265 HG12 ILE 30 HG12 ILE 30 5.709 13.787 11.497 266 HG13 ILE 30 HG11 ILE 30 4.325 12.704 11.546 267 HG21 ILE 30 HG21 ILE 30 5.616 14.916 14.342 268 HG22 ILE 30 HG22 ILE 30 7.071 14.211 13.633 269 HG23 ILE 30 HG23 ILE 30 6.465 13.616 15.179 270 HD11 ILE 30 HD11 ILE 30 3.669 14.959 11.121 271 HD12 ILE 30 HD12 ILE 30 4.414 15.490 12.628 272 HD13 ILE 30 HD13 ILE 30 3.029 14.395 12.661 273 H GLN 31 HN GLN 31 4.878 10.242 15.056 274 HA GLN 31 HA GLN 31 6.798 10.161 17.142 275 HB2 GLN 31 HB2 GLN 31 4.393 9.663 17.489 276 HB3 GLN 31 HB1 GLN 31 4.537 8.208 16.508 277 HG2 GLN 31 HG2 GLN 31 6.095 7.247 18.174 278 HG3 GLN 31 HG1 GLN 31 5.945 8.702 19.156 279 HE21 GLN 31 HE21 GLN 31 3.255 7.105 17.462 280 HE22 GLN 31 HE22 GLN 31 2.420 6.627 18.897 281 H ASP 32 HN ASP 32 6.246 8.106 14.317 282 HA ASP 32 HA ASP 32 8.134 6.051 14.942 283 HB2 ASP 32 HB2 ASP 32 6.335 5.657 13.337 284 HB3 ASP 32 HB1 ASP 32 6.917 6.941 12.294 285 H LYS 33 HN LYS 33 8.546 9.309 13.714 286 HA LYS 33 HA LYS 33 11.235 8.680 12.630 287 HB2 LYS 33 HB2 LYS 33 9.721 11.313 12.438 288 HB3 LYS 33 HB1 LYS 33 11.220 10.910 11.610 289 HG2 LYS 33 HG2 LYS 33 8.521 9.627 11.131 290 HG3 LYS 33 HG1 LYS 33 9.280 10.841 10.105 291 HD2 LYS 33 HD2 LYS 33 11.033 9.289 9.473 292 HD3 LYS 33 HD1 LYS 33 10.462 8.090 10.641 293 HE2 LYS 33 HE2 LYS 33 8.302 7.957 9.359 294 HE3 LYS 33 HE1 LYS 33 9.000 9.039 8.150 295 HZ1 LYS 33 HZ1 LYS 33 10.027 6.354 8.896 296 HZ2 LYS 33 HZ2 LYS 33 10.733 7.382 7.762 297 HZ3 LYS 33 HZ3 LYS 33 9.198 6.737 7.470 298 H GLU 34 HN GLU 34 9.855 11.418 14.571 299 HA GLU 34 HA GLU 34 12.479 11.927 15.701 300 HB2 GLU 34 HB2 GLU 34 11.588 13.951 16.643 301 HB3 GLU 34 HB1 GLU 34 11.108 13.839 14.959 302 HG2 GLU 34 HG2 GLU 34 8.830 13.285 15.591 303 HG3 GLU 34 HG1 GLU 34 9.280 13.180 17.293 304 H GLY 35 HN GLY 35 9.505 10.431 16.731 305 HA2 GLY 35 HA2 GLY 35 9.535 8.724 18.380 306 HA3 GLY 35 HA1 GLY 35 10.876 9.519 19.191 307 H ILE 36 HN ILE 36 8.444 11.709 18.283 308 HA ILE 36 HA ILE 36 7.592 11.930 21.102 309 HB ILE 36 HB ILE 36 7.730 13.995 18.857 310 HG12 ILE 36 HG12 ILE 36 8.955 15.338 20.666 311 HG13 ILE 36 HG11 ILE 36 8.869 13.926 21.708 312 HG21 ILE 36 HG21 ILE 36 6.565 15.637 20.323 313 HG22 ILE 36 HG22 ILE 36 6.223 14.347 21.482 314 HG23 ILE 36 HG23 ILE 36 5.511 14.293 19.871 315 HD11 ILE 36 HD11 ILE 36 10.354 14.118 19.095 316 HD12 ILE 36 HD12 ILE 36 10.286 12.693 20.136 317 HD13 ILE 36 HD13 ILE 36 11.056 14.172 20.711 318 HA PRO 37 HA PRO 37 3.826 9.943 19.814 319 HB2 PRO 37 HB2 PRO 37 2.299 10.288 22.058 320 HB3 PRO 37 HB1 PRO 37 3.699 9.206 22.026 321 HG2 PRO 37 HG2 PRO 37 3.537 12.056 23.019 322 HG3 PRO 37 HG1 PRO 37 4.250 10.633 23.819 323 HD2 PRO 37 HD2 PRO 37 5.784 12.412 22.473 324 HD3 PRO 37 HD1 PRO 37 6.169 10.681 22.476 325 HA PRO 38 HA PRO 38 0.970 12.904 17.966 326 HB2 PRO 38 HB2 PRO 38 -1.447 11.499 18.354 327 HB3 PRO 38 HB1 PRO 38 -0.326 11.267 17.009 328 HG2 PRO 38 HG2 PRO 38 -0.538 9.716 19.585 329 HG3 PRO 38 HG1 PRO 38 -0.311 9.111 17.927 330 HD2 PRO 38 HD2 PRO 38 1.769 9.243 19.575 331 HD3 PRO 38 HD1 PRO 38 1.965 9.748 17.881 332 H ASP 39 HN ASP 39 0.640 11.906 21.251 333 HA ASP 39 HA ASP 39 -1.365 13.801 22.066 334 HB2 ASP 39 HB2 ASP 39 -0.957 11.657 23.262 335 HB3 ASP 39 HB1 ASP 39 0.662 12.195 23.696 336 H GLN 40 HN GLN 40 2.198 13.691 22.053 337 HA GLN 40 HA GLN 40 2.440 16.262 23.454 338 HB2 GLN 40 HB2 GLN 40 4.222 13.916 23.013 339 HB3 GLN 40 HB1 GLN 40 5.045 15.461 22.990 340 HG2 GLN 40 HG2 GLN 40 4.977 14.256 25.217 341 HG3 GLN 40 HG1 GLN 40 4.472 15.940 25.235 342 HE21 GLN 40 HE21 GLN 40 3.344 12.626 25.421 343 HE22 GLN 40 HE22 GLN 40 1.812 12.986 26.138 344 H GLN 41 HN GLN 41 2.676 15.064 20.233 345 HA GLN 41 HA GLN 41 3.787 17.648 19.317 346 HB2 GLN 41 HB2 GLN 41 4.077 16.526 17.111 347 HB3 GLN 41 HB1 GLN 41 4.985 15.778 18.409 348 HG2 GLN 41 HG2 GLN 41 4.220 13.893 17.381 349 HG3 GLN 41 HG1 GLN 41 2.892 14.149 18.496 350 HE21 GLN 41 HE21 GLN 41 3.931 14.474 15.202 351 HE22 GLN 41 HE22 GLN 41 2.366 14.553 14.495 352 H ARG 42 HN ARG 42 2.662 18.886 17.724 353 HA ARG 42 HA ARG 42 -0.235 18.355 17.459 354 HB2 ARG 42 HB2 ARG 42 0.532 19.992 19.381 355 HB3 ARG 42 HB1 ARG 42 0.836 21.138 18.079 356 HG2 ARG 42 HG2 ARG 42 -1.509 21.118 17.443 357 HG3 ARG 42 HG1 ARG 42 -1.843 19.805 18.578 358 HD2 ARG 42 HD2 ARG 42 -1.025 21.371 20.418 359 HD3 ARG 42 HD1 ARG 42 -1.098 22.665 19.216 360 HE ARG 42 HE ARG 42 -3.571 21.447 19.122 361 HH11 ARG 42 HH11 ARG 42 -1.728 23.147 21.597 362 HH12 ARG 42 HH12 ARG 42 -3.139 23.616 22.492 363 HH21 ARG 42 HH21 ARG 42 -5.395 22.061 20.313 364 HH22 ARG 42 HH22 ARG 42 -5.212 22.982 21.774 365 H LEU 43 HN LEU 43 -1.025 18.808 15.462 366 HA LEU 43 HA LEU 43 0.935 19.520 13.381 367 HB2 LEU 43 HB2 LEU 43 -1.590 17.868 13.444 368 HB3 LEU 43 HB1 LEU 43 -1.132 18.602 11.924 369 HG LEU 43 HG LEU 43 -0.352 16.292 12.022 370 HD11 LEU 43 HD11 LEU 43 1.986 16.654 11.401 371 HD12 LEU 43 HD12 LEU 43 1.971 18.244 12.169 372 HD13 LEU 43 HD13 LEU 43 0.967 17.939 10.751 373 HD21 LEU 43 HD21 LEU 43 1.346 15.572 13.640 374 HD22 LEU 43 HD22 LEU 43 -0.139 16.061 14.450 375 HD23 LEU 43 HD23 LEU 43 1.261 17.138 14.451 376 H ILE 44 HN ILE 44 0.856 21.451 12.402 377 HA ILE 44 HA ILE 44 -1.688 22.889 12.079 378 HB ILE 44 HB ILE 44 0.803 24.096 13.382 379 HG12 ILE 44 HG12 ILE 44 -2.060 23.907 14.461 380 HG13 ILE 44 HG11 ILE 44 -0.775 22.781 14.871 381 HG21 ILE 44 HG21 ILE 44 -0.413 26.264 13.455 382 HG22 ILE 44 HG22 ILE 44 -1.726 25.561 12.504 383 HG23 ILE 44 HG23 ILE 44 -0.119 25.738 11.798 384 HD11 ILE 44 HD11 ILE 44 -0.777 25.717 15.484 385 HD12 ILE 44 HD12 ILE 44 0.472 24.547 15.931 386 HD13 ILE 44 HD13 ILE 44 -1.151 24.407 16.604 387 H PHE 45 HN PHE 45 -1.860 23.504 10.017 388 HA PHE 45 HA PHE 45 0.539 24.223 8.413 389 HB2 PHE 45 HB2 PHE 45 -0.352 22.075 7.611 390 HB3 PHE 45 HB1 PHE 45 -1.980 22.728 7.536 391 HD1 PHE 45 HD2 PHE 45 1.398 22.925 5.958 392 HD2 PHE 45 HD1 PHE 45 -2.752 23.887 5.555 393 HE1 PHE 45 HE2 PHE 45 1.761 23.503 3.597 394 HE2 PHE 45 HE1 PHE 45 -2.375 24.468 3.195 395 HZ PHE 45 HZ PHE 45 -0.127 24.277 2.212 396 H ALA 46 HN ALA 46 0.451 26.330 7.865 397 HA ALA 46 HA ALA 46 -0.233 28.413 7.307 398 HB1 ALA 46 HB1 ALA 46 -2.731 27.025 6.264 399 HB2 ALA 46 HB2 ALA 46 -1.230 27.259 5.369 400 HB3 ALA 46 HB3 ALA 46 -2.197 28.656 5.840 401 H GLY 47 HN GLY 47 -0.966 27.309 9.996 402 HA2 GLY 47 HA2 GLY 47 -1.597 28.665 11.825 403 HA3 GLY 47 HA1 GLY 47 -2.758 29.507 10.811 404 H LYS 48 HN LYS 48 -3.601 26.659 9.837 405 HA LYS 48 HA LYS 48 -5.684 26.335 11.890 406 HB2 LYS 48 HB2 LYS 48 -6.950 25.136 10.228 407 HB3 LYS 48 HB1 LYS 48 -6.283 26.560 9.449 408 HG2 LYS 48 HG2 LYS 48 -4.360 24.784 8.772 409 HG3 LYS 48 HG1 LYS 48 -5.695 23.660 8.973 410 HD2 LYS 48 HD2 LYS 48 -5.519 24.320 6.634 411 HD3 LYS 48 HD1 LYS 48 -7.018 24.956 7.317 412 HE2 LYS 48 HE2 LYS 48 -5.955 27.174 7.578 413 HE3 LYS 48 HE1 LYS 48 -4.457 26.533 6.894 414 HZ1 LYS 48 HZ1 LYS 48 -5.791 27.734 5.264 415 HZ2 LYS 48 HZ2 LYS 48 -7.069 26.656 5.496 416 HZ3 LYS 48 HZ3 LYS 48 -5.615 26.109 4.834 417 H GLN 49 HN GLN 49 -5.806 24.592 13.232 418 HA GLN 49 HA GLN 49 -3.625 22.690 13.354 419 HB2 GLN 49 HB2 GLN 49 -5.041 23.759 15.326 420 HB3 GLN 49 HB1 GLN 49 -6.162 22.445 15.018 421 HG2 GLN 49 HG2 GLN 49 -3.229 22.071 15.728 422 HG3 GLN 49 HG1 GLN 49 -4.543 22.054 16.896 423 HE21 GLN 49 HE21 GLN 49 -6.381 20.521 15.231 424 HE22 GLN 49 HE22 GLN 49 -5.768 18.908 15.195 425 H LEU 50 HN LEU 50 -3.743 20.474 12.884 426 HA LEU 50 HA LEU 50 -5.663 19.872 10.772 427 HB2 LEU 50 HB2 LEU 50 -3.193 18.300 11.540 428 HB3 LEU 50 HB1 LEU 50 -4.109 18.196 10.046 429 HG LEU 50 HG LEU 50 -2.278 20.459 10.933 430 HD11 LEU 50 HD11 LEU 50 -1.114 18.552 10.047 431 HD12 LEU 50 HD12 LEU 50 -1.018 19.899 8.915 432 HD13 LEU 50 HD13 LEU 50 -2.124 18.560 8.598 433 HD21 LEU 50 HD21 LEU 50 -2.812 21.631 8.843 434 HD22 LEU 50 HD22 LEU 50 -4.238 21.488 9.864 435 HD23 LEU 50 HD23 LEU 50 -4.046 20.428 8.466 436 H GLU 51 HN GLU 51 -7.299 18.559 11.084 437 HA GLU 51 HA GLU 51 -7.841 17.247 13.574 438 HB2 GLU 51 HB2 GLU 51 -9.595 18.469 12.327 439 HB3 GLU 51 HB1 GLU 51 -9.389 17.398 10.948 440 HG2 GLU 51 HG2 GLU 51 -10.158 15.494 12.396 441 HG3 GLU 51 HG1 GLU 51 -10.503 16.660 13.671 442 H ASP 52 HN ASP 52 -7.934 15.051 13.934 443 HA ASP 52 HA ASP 52 -6.036 13.426 12.636 444 HB2 ASP 52 HB2 ASP 52 -8.217 12.762 14.654 445 HB3 ASP 52 HB1 ASP 52 -7.002 11.594 14.132 446 H GLY 53 HN GLY 53 -9.576 13.447 12.495 447 HA2 GLY 53 HA2 GLY 53 -9.915 11.066 10.979 448 HA3 GLY 53 HA1 GLY 53 -11.112 12.324 11.227 449 H ARG 54 HN ARG 54 -9.220 14.376 10.051 450 HA ARG 54 HA ARG 54 -10.072 14.107 7.299 451 HB2 ARG 54 HB2 ARG 54 -8.471 16.252 8.746 452 HB3 ARG 54 HB1 ARG 54 -8.921 16.360 7.040 453 HG2 ARG 54 HG2 ARG 54 -11.322 16.212 7.714 454 HG3 ARG 54 HG1 ARG 54 -10.824 16.209 9.402 455 HD2 ARG 54 HD2 ARG 54 -9.812 18.413 9.125 456 HD3 ARG 54 HD1 ARG 54 -10.268 18.445 7.420 457 HE ARG 54 HE ARG 54 -12.350 18.203 9.497 458 HH11 ARG 54 HH11 ARG 54 -10.894 20.056 6.898 459 HH12 ARG 54 HH12 ARG 54 -12.159 21.243 6.874 460 HH21 ARG 54 HH21 ARG 54 -14.001 19.771 9.457 461 HH22 ARG 54 HH22 ARG 54 -13.917 21.086 8.328 462 H THR 55 HN THR 55 -8.353 14.944 5.624 463 HA THR 55 HA THR 55 -5.948 13.198 5.783 464 HB THR 55 HB THR 55 -6.086 13.184 3.246 465 HG1 THR 55 HG1 THR 55 -8.742 14.153 3.609 466 HG21 THR 55 HG21 THR 55 -7.924 11.550 3.079 467 HG22 THR 55 HG22 THR 55 -8.528 12.045 4.661 468 HG23 THR 55 HG23 THR 55 -6.953 11.257 4.523 469 H LEU 56 HN LEU 56 -4.142 13.977 4.371 470 HA LEU 56 HA LEU 56 -3.227 16.535 5.026 471 HB2 LEU 56 HB2 LEU 56 -2.414 14.667 2.762 472 HB3 LEU 56 HB1 LEU 56 -1.551 16.159 3.108 473 HG LEU 56 HG LEU 56 -1.809 13.801 5.034 474 HD11 LEU 56 HD11 LEU 56 0.564 13.378 4.576 475 HD12 LEU 56 HD12 LEU 56 0.588 14.676 3.379 476 HD13 LEU 56 HD13 LEU 56 -0.395 13.235 3.104 477 HD21 LEU 56 HD21 LEU 56 -1.580 15.936 6.236 478 HD22 LEU 56 HD22 LEU 56 -0.152 16.346 5.286 479 HD23 LEU 56 HD23 LEU 56 -0.114 14.972 6.395 480 H SER 57 HN SER 57 -4.517 15.385 1.905 481 HA SER 57 HA SER 57 -4.326 17.837 0.531 482 HB2 SER 57 HB2 SER 57 -4.344 15.632 -0.589 483 HB3 SER 57 HB1 SER 57 -6.028 15.398 -0.127 484 HG SER 57 HG SER 57 -6.497 17.306 -1.375 485 H ASP 58 HN ASP 58 -6.733 16.638 2.757 486 HA ASP 58 HA ASP 58 -8.968 18.240 1.970 487 HB2 ASP 58 HB2 ASP 58 -9.097 16.354 3.614 488 HB3 ASP 58 HB1 ASP 58 -8.159 17.297 4.763 489 H TYR 59 HN TYR 59 -6.258 18.736 4.202 490 HA TYR 59 HA TYR 59 -6.956 21.510 4.757 491 HB2 TYR 59 HB2 TYR 59 -4.898 19.547 5.779 492 HB3 TYR 59 HB1 TYR 59 -4.655 21.263 6.068 493 HD1 TYR 59 HD1 TYR 59 -6.794 22.528 6.993 494 HD2 TYR 59 HD2 TYR 59 -6.082 18.343 7.458 495 HE1 TYR 59 HE1 TYR 59 -8.249 22.517 8.954 496 HE2 TYR 59 HE2 TYR 59 -7.547 18.333 9.427 497 HH TYR 59 HH TYR 59 -8.283 20.120 11.189 498 H ASN 60 HN ASN 60 -5.931 20.423 2.008 499 HA ASN 60 HA ASN 60 -4.927 21.329 0.203 500 HB2 ASN 60 HB2 ASN 60 -4.271 23.708 1.996 501 HB3 ASN 60 HB1 ASN 60 -4.034 23.675 0.254 502 HD21 ASN 60 HD21 ASN 60 -6.888 22.510 2.096 503 HD22 ASN 60 HD22 ASN 60 -7.989 23.626 1.388 504 H ILE 61 HN ILE 61 -3.439 19.786 2.374 505 HA ILE 61 HA ILE 61 -0.627 20.517 1.909 506 HB ILE 61 HB ILE 61 -1.727 18.156 3.499 507 HG12 ILE 61 HG12 ILE 61 -0.858 20.771 4.787 508 HG13 ILE 61 HG11 ILE 61 -2.518 20.522 4.258 509 HG21 ILE 61 HG21 ILE 61 0.462 18.176 4.660 510 HG22 ILE 61 HG22 ILE 61 0.998 19.509 3.635 511 HG23 ILE 61 HG23 ILE 61 0.655 17.933 2.921 512 HD11 ILE 61 HD11 ILE 61 -2.185 20.071 6.642 513 HD12 ILE 61 HD12 ILE 61 -1.082 18.757 6.233 514 HD13 ILE 61 HD13 ILE 61 -2.787 18.668 5.758 515 H GLN 62 HN GLN 62 0.099 19.822 -0.034 516 HA GLN 62 HA GLN 62 -0.625 17.150 -1.073 517 HB2 GLN 62 HB2 GLN 62 0.330 17.870 -3.196 518 HB3 GLN 62 HB1 GLN 62 -0.831 19.075 -2.649 519 HG2 GLN 62 HG2 GLN 62 0.916 20.609 -2.040 520 HG3 GLN 62 HG1 GLN 62 2.158 19.373 -2.224 521 HE21 GLN 62 HE21 GLN 62 2.727 18.682 -4.322 522 HE22 GLN 62 HE22 GLN 62 2.412 19.667 -5.710 523 H LYS 63 HN LYS 63 1.543 16.342 -2.398 524 HA LYS 63 HA LYS 63 3.330 15.463 -0.402 525 HB2 LYS 63 HB2 LYS 63 4.601 14.420 -2.208 526 HB3 LYS 63 HB1 LYS 63 2.884 14.109 -2.393 527 HG2 LYS 63 HG2 LYS 63 2.741 15.724 -4.208 528 HG3 LYS 63 HG1 LYS 63 4.428 16.194 -3.972 529 HD2 LYS 63 HD2 LYS 63 3.449 13.441 -4.843 530 HD3 LYS 63 HD1 LYS 63 4.179 14.655 -5.898 531 HE2 LYS 63 HE2 LYS 63 6.297 14.483 -4.689 532 HE3 LYS 63 HE1 LYS 63 5.584 13.363 -3.527 533 HZ1 LYS 63 HZ1 LYS 63 5.272 11.767 -5.296 534 HZ2 LYS 63 HZ2 LYS 63 6.897 12.224 -5.208 535 HZ3 LYS 63 HZ3 LYS 63 5.907 12.843 -6.431 536 H GLU 64 HN GLU 64 5.217 16.150 0.244 537 HA GLU 64 HA GLU 64 7.060 17.323 0.643 538 HB2 GLU 64 HB2 GLU 64 6.892 18.182 -2.272 539 HB3 GLU 64 HB1 GLU 64 8.305 18.373 -1.234 540 HG2 GLU 64 HG2 GLU 64 8.497 15.929 -1.007 541 HG3 GLU 64 HG1 GLU 64 7.054 15.705 -1.993 542 H SER 65 HN SER 65 4.199 18.563 0.646 543 HA SER 65 HA SER 65 4.695 21.377 0.872 544 HB2 SER 65 HB2 SER 65 2.510 19.643 2.107 545 HB3 SER 65 HB1 SER 65 2.527 21.410 2.130 546 HG SER 65 HG SER 65 2.818 20.139 -0.332 547 H THR 66 HN THR 66 5.328 22.554 2.644 548 HA THR 66 HA THR 66 6.354 21.064 4.968 549 HB THR 66 HB THR 66 7.023 23.905 4.094 550 HG1 THR 66 HG1 THR 66 7.737 21.944 2.794 551 HG21 THR 66 HG21 THR 66 7.349 23.570 6.531 552 HG22 THR 66 HG22 THR 66 8.904 23.702 5.708 553 HG23 THR 66 HG23 THR 66 8.306 22.120 6.214 554 H LEU 67 HN LEU 67 5.436 21.279 6.882 555 HA LEU 67 HA LEU 67 3.574 23.484 7.483 556 HB2 LEU 67 HB2 LEU 67 2.046 21.829 8.613 557 HB3 LEU 67 HB1 LEU 67 2.050 21.742 6.868 558 HG LEU 67 HG LEU 67 3.697 19.791 8.515 559 HD11 LEU 67 HD11 LEU 67 0.796 19.396 7.703 560 HD12 LEU 67 HD12 LEU 67 1.375 19.652 9.350 561 HD13 LEU 67 HD13 LEU 67 1.844 18.198 8.470 562 HD21 LEU 67 HD21 LEU 67 4.176 19.873 6.090 563 HD22 LEU 67 HD22 LEU 67 2.477 19.553 5.734 564 HD23 LEU 67 HD23 LEU 67 3.457 18.330 6.548 565 H HIS 68 HN HIS 68 3.031 23.407 9.883 566 HA HIS 68 HA HIS 68 5.590 23.303 11.321 567 HB2 HIS 68 HB2 HIS 68 2.960 24.708 11.980 568 HB3 HIS 68 HB1 HIS 68 4.399 24.752 13.003 569 HD1 HIS 68 HD1 HIS 68 6.119 26.491 12.460 570 HD2 HIS 68 HD2 HIS 68 3.380 26.010 9.375 571 HE1 HIS 68 HE1 HIS 68 6.623 28.319 10.826 572 HE2 HIS 68 HE2 HIS 68 5.105 27.861 8.874 573 H LEU 69 HN LEU 69 5.766 22.497 13.392 574 HA LEU 69 HA LEU 69 3.784 20.567 14.394 575 HB2 LEU 69 HB2 LEU 69 5.741 19.510 13.053 576 HB3 LEU 69 HB1 LEU 69 6.791 20.038 14.338 577 HG LEU 69 HG LEU 69 6.189 17.609 14.440 578 HD11 LEU 69 HD11 LEU 69 5.183 19.108 16.865 579 HD12 LEU 69 HD12 LEU 69 6.875 18.789 16.490 580 HD13 LEU 69 HD13 LEU 69 5.783 17.448 16.808 581 HD21 LEU 69 HD21 LEU 69 3.947 16.900 15.131 582 HD22 LEU 69 HD22 LEU 69 3.906 17.723 13.574 583 HD23 LEU 69 HD23 LEU 69 3.372 18.567 15.030 584 H VAL 70 HN VAL 70 3.436 20.925 16.486 585 HA VAL 70 HA VAL 70 5.265 22.676 18.013 586 HB VAL 70 HB VAL 70 2.259 22.270 18.329 587 HG11 VAL 70 HG11 VAL 70 2.389 24.033 20.081 588 HG12 VAL 70 HG12 VAL 70 4.145 24.025 19.956 589 HG13 VAL 70 HG13 VAL 70 3.296 22.591 20.529 590 HG21 VAL 70 HG21 VAL 70 2.108 24.641 17.596 591 HG22 VAL 70 HG22 VAL 70 2.857 23.634 16.363 592 HG23 VAL 70 HG23 VAL 70 3.857 24.687 17.365 593 H LEU 71 HN LEU 71 6.403 21.628 19.410 594 HA LEU 71 HA LEU 71 5.732 19.031 20.493 595 HB2 LEU 71 HB2 LEU 71 8.043 20.945 21.012 596 HB3 LEU 71 HB1 LEU 71 7.915 19.333 21.692 597 HG LEU 71 HG LEU 71 8.137 19.951 18.722 598 HD11 LEU 71 HD11 LEU 71 10.404 19.010 18.875 599 HD12 LEU 71 HD12 LEU 71 10.222 18.840 20.623 600 HD13 LEU 71 HD13 LEU 71 10.228 20.444 19.886 601 HD21 LEU 71 HD21 LEU 71 6.857 17.890 19.119 602 HD22 LEU 71 HD22 LEU 71 8.147 17.264 20.149 603 HD23 LEU 71 HD23 LEU 71 8.435 17.519 18.425 604 H ARG 72 HN ARG 72 5.384 18.584 22.669 605 HA ARG 72 HA ARG 72 4.575 20.831 24.453 606 HB2 ARG 72 HB2 ARG 72 3.387 18.025 24.226 607 HB3 ARG 72 HB1 ARG 72 2.945 19.202 25.458 608 HG2 ARG 72 HG2 ARG 72 2.023 20.696 23.731 609 HG3 ARG 72 HG1 ARG 72 2.503 19.547 22.475 610 HD2 ARG 72 HD2 ARG 72 0.098 19.334 23.031 611 HD3 ARG 72 HD1 ARG 72 0.985 17.848 23.403 612 HE ARG 72 HE ARG 72 0.710 19.705 25.613 613 HH11 ARG 72 HH11 ARG 72 -0.755 16.889 24.069 614 HH12 ARG 72 HH12 ARG 72 -1.714 16.503 25.459 615 HH21 ARG 72 HH21 ARG 72 -0.569 19.176 27.387 616 HH22 ARG 72 HH22 ARG 72 -1.620 17.797 27.330 617 H LEU 73 HN LEU 73 5.722 17.461 24.327 618 HA LEU 73 HA LEU 73 6.881 16.102 25.693 619 HB2 LEU 73 HB2 LEU 73 8.355 18.717 26.093 620 HB3 LEU 73 HB1 LEU 73 8.871 17.280 26.953 621 HG LEU 73 HG LEU 73 10.262 17.592 24.982 622 HD11 LEU 73 HD11 LEU 73 10.041 15.413 23.895 623 HD12 LEU 73 HD12 LEU 73 8.422 15.220 24.573 624 HD13 LEU 73 HD13 LEU 73 9.827 15.283 25.639 625 HD21 LEU 73 HD21 LEU 73 8.729 18.885 23.578 626 HD22 LEU 73 HD22 LEU 73 7.741 17.449 23.301 627 HD23 LEU 73 HD23 LEU 73 9.397 17.519 22.689 628 H ARG 74 HN ARG 74 4.456 17.108 26.762 629 HA ARG 74 HA ARG 74 4.774 17.791 29.546 630 HB2 ARG 74 HB2 ARG 74 2.267 16.909 28.057 631 HB3 ARG 74 HB1 ARG 74 2.309 17.629 29.664 632 HG2 ARG 74 HG2 ARG 74 2.994 18.963 27.034 633 HG3 ARG 74 HG1 ARG 74 1.636 19.317 28.094 634 HD2 ARG 74 HD2 ARG 74 4.576 19.858 28.649 635 HD3 ARG 74 HD1 ARG 74 3.322 21.055 28.317 636 HE ARG 74 HE ARG 74 2.451 19.693 30.548 637 HH11 ARG 74 HH11 ARG 74 5.298 21.629 29.778 638 HH12 ARG 74 HH12 ARG 74 5.534 22.128 31.420 639 HH21 ARG 74 HH21 ARG 74 2.793 20.364 32.683 640 HH22 ARG 74 HH22 ARG 74 4.118 21.416 33.065 641 H GLY 75 HN GLY 75 4.398 14.831 27.745 642 HA2 GLY 75 HA2 GLY 75 4.267 13.191 30.204 643 HA3 GLY 75 HA1 GLY 75 4.021 12.631 28.551 644 H GLY 76 HN GLY 76 6.678 14.777 28.953 645 HA2 GLY 76 HA2 GLY 76 8.958 14.504 28.941 646 HA3 GLY 76 HA1 GLY 76 8.734 12.851 29.495 647 H1 GLY 195 HN GLY 195 16.260 18.524 25.006 648 HA2 GLY 195 HA2 GLY 195 17.688 16.895 26.592 649 HA3 GLY 195 HA1 GLY 195 18.941 18.012 26.052 650 H SER 196 HN SER 196 16.895 20.216 25.885 651 HA SER 196 HA SER 196 17.147 21.164 28.604 652 HB2 SER 196 HB2 SER 196 15.843 22.489 26.191 653 HB3 SER 196 HB1 SER 196 16.250 23.287 27.714 654 HG SER 196 HG SER 196 18.088 22.055 25.926 655 H ARG 197 HN ARG 197 15.811 20.025 29.933 656 HA ARG 197 HA ARG 197 13.004 19.527 29.439 657 HB2 ARG 197 HB2 ARG 197 12.986 18.699 31.790 658 HB3 ARG 197 HB1 ARG 197 14.294 17.994 30.848 659 HG2 ARG 197 HG2 ARG 197 15.880 19.638 31.886 660 HG3 ARG 197 HG1 ARG 197 14.560 20.225 32.900 661 HD2 ARG 197 HD2 ARG 197 16.027 18.619 34.092 662 HD3 ARG 197 HD1 ARG 197 14.363 18.031 33.965 663 HE ARG 197 HE ARG 197 16.018 17.117 31.808 664 HH11 ARG 197 HH11 ARG 197 15.213 16.410 35.166 665 HH12 ARG 197 HH12 ARG 197 15.628 14.732 35.019 666 HH21 ARG 197 HH21 ARG 197 16.516 14.930 31.646 667 HH22 ARG 197 HH22 ARG 197 16.347 13.891 33.025 668 H GLN 198 HN GLN 198 14.806 22.190 30.563 669 HA GLN 198 HA GLN 198 12.926 23.430 32.307 670 HB2 GLN 198 HB2 GLN 198 15.253 24.613 30.732 671 HB3 GLN 198 HB1 GLN 198 14.388 25.443 32.024 672 HG2 GLN 198 HG2 GLN 198 15.147 23.744 33.638 673 HG3 GLN 198 HG1 GLN 198 15.993 22.885 32.352 674 HE21 GLN 198 HE21 GLN 198 17.074 24.030 34.813 675 HE22 GLN 198 HE22 GLN 198 18.280 25.168 34.330 676 H VAL 199 HN VAL 199 12.215 25.754 31.781 677 HA VAL 199 HA VAL 199 10.177 25.782 29.904 678 HB VAL 199 HB VAL 199 10.066 27.218 31.818 679 HG11 VAL 199 HG11 VAL 199 11.539 29.147 32.237 680 HG12 VAL 199 HG12 VAL 199 12.513 28.723 30.827 681 HG13 VAL 199 HG13 VAL 199 12.444 27.633 32.212 682 HG21 VAL 199 HG21 VAL 199 10.299 29.007 29.364 683 HG22 VAL 199 HG22 VAL 199 9.434 29.393 30.854 684 HG23 VAL 199 HG23 VAL 199 8.880 28.067 29.835 685 H THR 200 HN THR 200 10.542 25.442 27.798 686 HA THR 200 HA THR 200 12.815 26.556 26.351 687 HB THR 200 HB THR 200 10.538 24.754 25.393 688 HG1 THR 200 HG1 THR 200 12.325 24.101 27.055 689 HG21 THR 200 HG21 THR 200 12.013 24.217 23.476 690 HG22 THR 200 HG22 THR 200 13.197 25.396 24.039 691 HG23 THR 200 HG23 THR 200 11.607 25.934 23.488 692 H LYS 201 HN LYS 201 12.738 28.360 25.144 693 HA LYS 201 HA LYS 201 10.251 29.833 24.744 694 HB2 LYS 201 HB2 LYS 201 13.148 30.535 24.080 695 HB3 LYS 201 HB1 LYS 201 11.788 31.582 23.712 696 HG2 LYS 201 HG2 LYS 201 12.860 32.414 25.687 697 HG3 LYS 201 HG1 LYS 201 11.297 31.748 26.165 698 HD2 LYS 201 HD2 LYS 201 12.389 29.729 27.036 699 HD3 LYS 201 HD1 LYS 201 13.955 30.291 26.444 700 HE2 LYS 201 HE2 LYS 201 13.709 30.636 28.874 701 HE3 LYS 201 HE1 LYS 201 13.906 32.164 28.014 702 HZ1 LYS 201 HZ1 LYS 201 11.569 32.569 28.194 703 HZ2 LYS 201 HZ2 LYS 201 12.184 32.223 29.729 704 HZ3 LYS 201 HZ3 LYS 201 11.304 31.052 28.891 705 H VAL 202 HN VAL 202 9.129 29.737 22.930 706 HA VAL 202 HA VAL 202 10.230 28.811 20.365 707 HB VAL 202 HB VAL 202 8.183 27.285 20.093 708 HG11 VAL 202 HG11 VAL 202 9.136 25.364 21.343 709 HG12 VAL 202 HG12 VAL 202 10.178 26.470 22.243 710 HG13 VAL 202 HG13 VAL 202 10.382 26.289 20.499 711 HG21 VAL 202 HG21 VAL 202 7.949 27.636 23.113 712 HG22 VAL 202 HG22 VAL 202 7.029 26.489 22.135 713 HG23 VAL 202 HG23 VAL 202 6.798 28.222 21.909 714 H ASP 203 HN ASP 203 8.054 28.860 18.785 715 HA ASP 203 HA ASP 203 6.769 31.505 19.247 716 HB2 ASP 203 HB2 ASP 203 8.536 31.477 17.381 717 HB3 ASP 203 HB1 ASP 203 7.483 30.385 16.498 718 H CYS 204 HN CYS 204 4.620 31.726 18.646 719 HA CYS 204 HA CYS 204 2.999 29.309 18.433 720 HB2 CYS 204 HB2 CYS 204 2.379 31.147 20.019 721 HB3 CYS 204 HB1 CYS 204 2.171 32.229 18.663 722 HA PRO 205 HA PRO 205 3.669 30.113 14.005 723 HB2 PRO 205 HB2 PRO 205 2.863 27.736 12.958 724 HB3 PRO 205 HB1 PRO 205 4.355 27.888 13.897 725 HG2 PRO 205 HG2 PRO 205 1.628 26.961 14.822 726 HG3 PRO 205 HG1 PRO 205 3.211 26.190 15.078 727 HD2 PRO 205 HD2 PRO 205 2.062 27.742 16.986 728 HD3 PRO 205 HD1 PRO 205 3.822 27.696 16.757 729 H VAL 206 HN VAL 206 0.766 30.367 15.429 730 HA VAL 206 HA VAL 206 -0.829 30.552 12.954 731 HB VAL 206 HB VAL 206 -1.862 30.816 15.816 732 HG11 VAL 206 HG11 VAL 206 -3.327 30.252 13.206 733 HG12 VAL 206 HG12 VAL 206 -3.340 31.769 14.108 734 HG13 VAL 206 HG13 VAL 206 -4.066 30.326 14.810 735 HG21 VAL 206 HG21 VAL 206 -1.800 28.277 14.127 736 HG22 VAL 206 HG22 VAL 206 -2.586 28.455 15.700 737 HG23 VAL 206 HG23 VAL 206 -0.832 28.589 15.570 738 H CYS 207 HN CYS 207 -0.098 32.447 15.936 739 HA CYS 207 HA CYS 207 -0.858 34.961 14.549 740 HB2 CYS 207 HB2 CYS 207 -1.295 35.932 16.722 741 HB3 CYS 207 HB1 CYS 207 -2.103 34.368 16.669 742 H GLY 208 HN GLY 208 1.833 33.219 15.458 743 HA2 GLY 208 HA2 GLY 208 4.058 33.568 15.464 744 HA3 GLY 208 HA1 GLY 208 3.752 35.004 14.535 745 H VAL 209 HN VAL 209 3.342 33.955 17.933 746 HA VAL 209 HA VAL 209 4.932 36.307 18.811 747 HB VAL 209 HB VAL 209 3.710 36.298 20.972 748 HG11 VAL 209 HG11 VAL 209 1.853 36.580 18.580 749 HG12 VAL 209 HG12 VAL 209 2.952 37.815 19.197 750 HG13 VAL 209 HG13 VAL 209 1.591 37.280 20.182 751 HG21 VAL 209 HG21 VAL 209 1.877 34.202 19.720 752 HG22 VAL 209 HG22 VAL 209 1.617 35.009 21.269 753 HG23 VAL 209 HG23 VAL 209 2.996 33.935 21.061 754 H ASN 210 HN ASN 210 6.715 35.892 20.011 755 HA ASN 210 HA ASN 210 7.531 33.184 20.551 756 HB2 ASN 210 HB2 ASN 210 9.185 34.946 19.923 757 HB3 ASN 210 HB1 ASN 210 8.863 35.784 21.437 758 HD21 ASN 210 HD21 ASN 210 10.264 32.893 20.010 759 HD22 ASN 210 HD22 ASN 210 11.211 32.450 21.386 760 H ILE 211 HN ILE 211 7.032 32.073 22.285 761 HA ILE 211 HA ILE 211 6.503 33.195 24.930 762 HB ILE 211 HB ILE 211 4.319 31.759 25.022 763 HG12 ILE 211 HG12 ILE 211 4.652 31.959 21.991 764 HG13 ILE 211 HG11 ILE 211 4.616 30.482 22.949 765 HG21 ILE 211 HG21 ILE 211 2.874 33.574 24.185 766 HG22 ILE 211 HG22 ILE 211 4.244 34.287 23.333 767 HG23 ILE 211 HG23 ILE 211 4.242 34.221 25.096 768 HD11 ILE 211 HD11 ILE 211 2.329 32.381 22.487 769 HD12 ILE 211 HD12 ILE 211 2.270 30.945 23.512 770 HD13 ILE 211 HD13 ILE 211 2.547 30.781 21.780 771 HA PRO 212 HA PRO 212 8.287 29.202 26.192 772 HB2 PRO 212 HB2 PRO 212 6.838 28.542 28.445 773 HB3 PRO 212 HB1 PRO 212 8.086 29.793 28.424 774 HG2 PRO 212 HG2 PRO 212 5.097 30.109 28.177 775 HG3 PRO 212 HG1 PRO 212 6.238 31.019 29.193 776 HD2 PRO 212 HD2 PRO 212 5.354 32.026 26.856 777 HD3 PRO 212 HD1 PRO 212 7.031 32.291 27.385 778 H GLU 213 HN GLU 213 7.795 26.894 26.415 779 HA GLU 213 HA GLU 213 6.088 26.017 24.337 780 HB2 GLU 213 HB2 GLU 213 8.268 24.966 24.950 781 HB3 GLU 213 HB1 GLU 213 7.546 24.364 26.435 782 HG2 GLU 213 HG2 GLU 213 6.053 22.906 25.175 783 HG3 GLU 213 HG1 GLU 213 6.615 23.589 23.652 784 H SER 214 HN SER 214 5.644 26.119 27.826 785 HA SER 214 HA SER 214 3.274 24.544 27.996 786 HB2 SER 214 HB2 SER 214 4.619 25.131 29.993 787 HB3 SER 214 HB1 SER 214 4.210 26.833 29.785 788 HG SER 214 HG SER 214 2.880 25.800 31.341 789 H HIS 215 HN HIS 215 3.825 28.040 27.544 790 HA HIS 215 HA HIS 215 0.990 28.676 27.379 791 HB2 HIS 215 HB2 HIS 215 3.488 30.382 27.040 792 HB3 HIS 215 HB1 HIS 215 1.861 31.020 26.820 793 HD1 HIS 215 HD1 HIS 215 1.361 32.388 28.791 794 HD2 HIS 215 HD2 HIS 215 3.325 28.884 29.858 795 HE1 HIS 215 HE1 HIS 215 1.524 32.429 31.288 796 HE2 HIS 215 HE2 HIS 215 2.842 30.385 31.897 797 H ILE 216 HN ILE 216 3.392 27.636 25.136 798 HA ILE 216 HA ILE 216 2.195 28.811 22.805 799 HB ILE 216 HB ILE 216 4.669 27.828 23.073 800 HG12 ILE 216 HG12 ILE 216 3.717 28.989 21.024 801 HG13 ILE 216 HG11 ILE 216 4.965 27.805 20.676 802 HG21 ILE 216 HG21 ILE 216 5.023 25.626 22.037 803 HG22 ILE 216 HG22 ILE 216 3.278 25.377 21.938 804 HG23 ILE 216 HG23 ILE 216 4.063 25.489 23.508 805 HD11 ILE 216 HD11 ILE 216 1.997 27.453 20.284 806 HD12 ILE 216 HD12 ILE 216 3.209 26.202 20.006 807 HD13 ILE 216 HD13 ILE 216 3.226 27.670 19.041 808 H ASN 217 HN ASN 217 2.060 25.655 24.446 809 HA ASN 217 HA ASN 217 0.174 24.286 22.946 810 HB2 ASN 217 HB2 ASN 217 1.445 23.494 25.008 811 HB3 ASN 217 HB1 ASN 217 0.323 24.408 25.995 812 HD21 ASN 217 HD21 ASN 217 -2.077 23.494 24.320 813 HD22 ASN 217 HD22 ASN 217 -2.306 21.860 24.797 814 H LYS 218 HN LYS 218 -0.406 26.435 25.737 815 HA LYS 218 HA LYS 218 -3.202 26.423 25.752 816 HB2 LYS 218 HB2 LYS 218 -1.399 27.257 27.501 817 HB3 LYS 218 HB1 LYS 218 -1.568 28.811 26.703 818 HG2 LYS 218 HG2 LYS 218 -3.853 27.289 28.016 819 HG3 LYS 218 HG1 LYS 218 -2.914 28.555 28.806 820 HD2 LYS 218 HD2 LYS 218 -3.709 30.193 27.158 821 HD3 LYS 218 HD1 LYS 218 -4.599 28.933 26.306 822 HE2 LYS 218 HE2 LYS 218 -5.992 28.594 28.357 823 HE3 LYS 218 HE1 LYS 218 -5.143 29.950 29.110 824 HZ1 LYS 218 HZ1 LYS 218 -6.781 30.074 26.635 825 HZ2 LYS 218 HZ2 LYS 218 -5.932 31.369 27.303 826 HZ3 LYS 218 HZ3 LYS 218 -7.217 30.681 28.150 827 H HIS 219 HN HIS 219 -0.938 28.666 24.152 828 HA HIS 219 HA HIS 219 -2.781 30.588 23.263 829 HB2 HIS 219 HB2 HIS 219 0.037 30.166 22.958 830 HB3 HIS 219 HB1 HIS 219 -0.584 30.334 21.327 831 HD2 HIS 219 HD2 HIS 219 -0.551 32.405 24.682 832 HE1 HIS 219 HE1 HIS 219 -0.930 35.057 21.416 833 HE2 HIS 219 HE2 HIS 219 -0.443 34.861 23.884 834 H LEU 220 HN LEU 220 -1.690 27.554 21.829 835 HA LEU 220 HA LEU 220 -2.880 27.936 19.272 836 HB2 LEU 220 HB2 LEU 220 -2.059 25.373 20.656 837 HB3 LEU 220 HB1 LEU 220 -2.504 25.507 18.954 838 HG LEU 220 HG LEU 220 -0.131 26.848 20.266 839 HD11 LEU 220 HD11 LEU 220 -0.240 24.448 18.458 840 HD12 LEU 220 HD12 LEU 220 0.166 24.464 20.175 841 HD13 LEU 220 HD13 LEU 220 1.223 25.262 19.015 842 HD21 LEU 220 HD21 LEU 220 0.581 27.460 18.000 843 HD22 LEU 220 HD22 LEU 220 -0.951 28.214 18.424 844 HD23 LEU 220 HD23 LEU 220 -0.929 26.818 17.346 845 H ASP 221 HN ASP 221 -3.978 26.385 22.279 846 HA ASP 221 HA ASP 221 -6.325 25.189 21.334 847 HB2 ASP 221 HB2 ASP 221 -5.655 26.383 24.058 848 HB3 ASP 221 HB1 ASP 221 -7.178 25.566 23.741 849 H SER 222 HN SER 222 -5.631 28.540 22.188 850 HA SER 222 HA SER 222 -8.358 29.447 21.632 851 HB2 SER 222 HB2 SER 222 -6.956 30.515 23.402 852 HB3 SER 222 HB1 SER 222 -5.835 31.080 22.160 853 HG SER 222 HG SER 222 -7.252 32.560 21.550 854 H CYS 223 HN CYS 223 -5.245 29.330 19.952 855 HA CYS 223 HA CYS 223 -5.960 31.282 17.955 856 HB2 CYS 223 HB2 CYS 223 -3.434 29.703 18.484 857 HB3 CYS 223 HB1 CYS 223 -3.618 30.686 17.034 858 H LEU 224 HN LEU 224 -6.255 27.842 18.186 859 HA LEU 224 HA LEU 224 -6.045 27.287 15.350 860 HB2 LEU 224 HB2 LEU 224 -6.683 24.986 15.882 861 HB3 LEU 224 HB1 LEU 224 -5.409 25.550 16.936 862 HG LEU 224 HG LEU 224 -7.290 25.920 18.715 863 HD11 LEU 224 HD11 LEU 224 -9.233 24.397 18.565 864 HD12 LEU 224 HD12 LEU 224 -8.799 24.013 16.897 865 HD13 LEU 224 HD13 LEU 224 -9.279 25.653 17.330 866 HD21 LEU 224 HD21 LEU 224 -5.551 24.211 18.912 867 HD22 LEU 224 HD22 LEU 224 -6.497 23.103 17.914 868 HD23 LEU 224 HD23 LEU 224 -7.097 23.600 19.499 869 H SER 225 HN SER 225 -8.468 28.374 17.493 870 HA SER 225 HA SER 225 -10.817 27.706 16.073 871 HB2 SER 225 HB2 SER 225 -10.806 28.562 18.423 872 HB3 SER 225 HB1 SER 225 -10.271 30.135 17.839 873 HG SER 225 HG SER 225 -12.700 28.833 17.171 874 H ARG 226 HN ARG 226 -11.377 28.377 14.102 875 HA ARG 226 HA ARG 226 -10.047 30.718 12.856 876 HB2 ARG 226 HB2 ARG 226 -9.678 29.381 10.846 877 HB3 ARG 226 HB1 ARG 226 -8.992 28.522 12.219 878 HG2 ARG 226 HG2 ARG 226 -11.339 27.275 12.234 879 HG3 ARG 226 HG1 ARG 226 -11.420 27.833 10.564 880 HD2 ARG 226 HD2 ARG 226 -10.518 25.627 10.484 881 HD3 ARG 226 HD1 ARG 226 -9.151 26.712 10.213 882 HE ARG 226 HE ARG 226 -9.022 26.352 12.864 883 HH11 ARG 226 HH11 ARG 226 -9.206 23.998 10.244 884 HH12 ARG 226 HH12 ARG 226 -8.495 22.726 11.190 885 HH21 ARG 226 HH21 ARG 226 -8.105 24.676 14.074 886 HH22 ARG 226 HH22 ARG 226 -7.880 23.108 13.356 887 H GLU 227 HN GLU 227 -11.222 31.475 10.891 888 HA GLU 227 HA GLU 227 -14.104 31.503 11.249 889 HB2 GLU 227 HB2 GLU 227 -12.871 33.583 10.664 890 HB3 GLU 227 HB1 GLU 227 -12.351 32.858 9.148 891 HG2 GLU 227 HG2 GLU 227 -14.195 34.417 8.777 892 HG3 GLU 227 HG1 GLU 227 -14.669 32.776 8.353 Start of MODEL 10 1 H1 GLY -2 HT1 GLY -2 3.112 -0.406 -0.479 2 H2 GLY -2 HT2 GLY -2 3.853 0.995 0.110 3 H3 GLY -2 HT3 GLY -2 4.379 0.310 -1.342 4 HA2 GLY -2 HA1 GLY -2 2.266 0.788 -2.365 5 HA3 GLY -2 HA2 GLY -2 1.729 1.512 -0.853 6 H SER -1 HN SER -1 2.122 2.669 -3.610 7 HA SER -1 HA SER -1 4.440 4.298 -3.707 8 HB2 SER -1 HB2 SER -1 1.784 4.623 -5.187 9 HB3 SER -1 HB1 SER -1 3.311 5.405 -5.622 10 HG SER -1 HG SER -1 3.906 3.631 -6.562 11 H HIS 0 HN HIS 0 4.732 5.588 -1.964 12 HA HIS 0 HA HIS 0 2.652 7.551 -1.190 13 HB2 HIS 0 HB2 HIS 0 4.852 6.296 0.515 14 HB3 HIS 0 HB1 HIS 0 3.753 7.559 1.061 15 HD1 HIS 0 HD1 HIS 0 1.412 5.698 -0.652 16 HD2 HIS 0 HD2 HIS 0 3.658 4.849 2.736 17 HE1 HIS 0 HE1 HIS 0 0.144 3.928 0.573 18 HE2 HIS 0 HE2 HIS 0 1.446 3.534 2.682 19 H MET 1 HN MET 1 3.375 9.631 -0.608 20 HA MET 1 HA MET 1 5.809 10.556 -1.998 21 HB2 MET 1 HB2 MET 1 3.308 12.066 -1.118 22 HB3 MET 1 HB1 MET 1 4.677 12.788 -1.962 23 HG2 MET 1 HG2 MET 1 2.879 10.614 -3.057 24 HG3 MET 1 HG1 MET 1 2.817 12.330 -3.489 25 HE1 MET 1 HE1 MET 1 4.349 10.598 -6.708 26 HE2 MET 1 HE2 MET 1 3.034 11.603 -6.099 27 HE3 MET 1 HE3 MET 1 3.136 9.905 -5.629 28 H GLN 2 HN GLN 2 6.605 12.703 -0.909 29 HA GLN 2 HA GLN 2 6.973 12.275 1.984 30 HB2 GLN 2 HB2 GLN 2 8.760 13.713 -0.016 31 HB3 GLN 2 HB1 GLN 2 9.019 13.729 1.722 32 HG2 GLN 2 HG2 GLN 2 10.440 12.038 1.197 33 HG3 GLN 2 HG1 GLN 2 8.990 11.078 1.404 34 HE21 GLN 2 HE21 GLN 2 11.394 10.537 -0.120 35 HE22 GLN 2 HE22 GLN 2 10.897 10.257 -1.743 36 H ILE 3 HN ILE 3 6.541 13.902 3.397 37 HA ILE 3 HA ILE 3 6.083 16.651 2.385 38 HB ILE 3 HB ILE 3 4.272 17.022 4.142 39 HG12 ILE 3 HG12 ILE 3 4.734 14.865 5.458 40 HG13 ILE 3 HG11 ILE 3 3.040 15.205 5.146 41 HG21 ILE 3 HG21 ILE 3 2.416 16.163 2.750 42 HG22 ILE 3 HG22 ILE 3 3.558 15.163 1.849 43 HG23 ILE 3 HG23 ILE 3 3.690 16.923 1.788 44 HD11 ILE 3 HD11 ILE 3 4.734 13.221 3.628 45 HD12 ILE 3 HD12 ILE 3 3.019 13.540 3.358 46 HD13 ILE 3 HD13 ILE 3 3.557 12.842 4.884 47 H PHE 4 HN PHE 4 6.515 18.281 3.896 48 HA PHE 4 HA PHE 4 8.606 17.489 5.862 49 HB2 PHE 4 HB2 PHE 4 8.283 20.149 4.387 50 HB3 PHE 4 HB1 PHE 4 9.625 19.691 5.433 51 HD1 PHE 4 HD2 PHE 4 10.983 17.559 4.723 52 HD2 PHE 4 HD1 PHE 4 8.467 19.756 2.046 53 HE1 PHE 4 HE2 PHE 4 12.175 16.598 2.801 54 HE2 PHE 4 HE1 PHE 4 9.662 18.780 0.128 55 HZ PHE 4 HZ PHE 4 11.519 17.200 0.504 56 H VAL 5 HN VAL 5 7.521 17.333 7.750 57 HA VAL 5 HA VAL 5 5.825 19.540 8.720 58 HB VAL 5 HB VAL 5 6.353 16.734 9.849 59 HG11 VAL 5 HG11 VAL 5 4.494 18.901 10.923 60 HG12 VAL 5 HG12 VAL 5 5.966 18.304 11.690 61 HG13 VAL 5 HG13 VAL 5 4.579 17.234 11.511 62 HG21 VAL 5 HG21 VAL 5 4.906 16.771 7.829 63 HG22 VAL 5 HG22 VAL 5 3.817 17.919 8.609 64 HG23 VAL 5 HG23 VAL 5 3.992 16.287 9.257 65 H LYS 6 HN LYS 6 6.839 21.083 9.823 66 HA LYS 6 HA LYS 6 9.587 20.731 10.819 67 HB2 LYS 6 HB2 LYS 6 8.893 22.508 9.042 68 HB3 LYS 6 HB1 LYS 6 8.063 23.342 10.353 69 HG2 LYS 6 HG2 LYS 6 10.157 24.423 10.175 70 HG3 LYS 6 HG1 LYS 6 10.326 23.354 11.573 71 HD2 LYS 6 HD2 LYS 6 11.453 21.671 10.111 72 HD3 LYS 6 HD1 LYS 6 11.335 22.803 8.758 73 HE2 LYS 6 HE2 LYS 6 12.742 24.416 10.042 74 HE3 LYS 6 HE1 LYS 6 12.884 23.221 11.331 75 HZ1 LYS 6 HZ1 LYS 6 14.803 23.182 9.922 76 HZ2 LYS 6 HZ2 LYS 6 13.843 22.902 8.558 77 HZ3 LYS 6 HZ3 LYS 6 13.945 21.731 9.768 78 H THR 7 HN THR 7 9.822 20.557 13.077 79 HA THR 7 HA THR 7 7.714 21.234 14.901 80 HB THR 7 HB THR 7 9.433 20.940 16.721 81 HG1 THR 7 HG1 THR 7 11.503 20.187 16.068 82 HG21 THR 7 HG21 THR 7 9.829 18.526 16.385 83 HG22 THR 7 HG22 THR 7 9.326 18.688 14.703 84 HG23 THR 7 HG23 THR 7 8.171 18.987 15.997 85 H LEU 8 HN LEU 8 7.863 22.798 16.615 86 HA LEU 8 HA LEU 8 8.767 25.422 15.930 87 HB2 LEU 8 HB2 LEU 8 7.931 24.286 18.617 88 HB3 LEU 8 HB1 LEU 8 8.090 25.992 18.233 89 HG LEU 8 HG LEU 8 6.024 24.084 17.081 90 HD11 LEU 8 HD11 LEU 8 4.410 25.463 18.344 91 HD12 LEU 8 HD12 LEU 8 5.743 26.390 19.032 92 HD13 LEU 8 HD13 LEU 8 5.574 24.672 19.403 93 HD21 LEU 8 HD21 LEU 8 6.667 25.752 15.379 94 HD22 LEU 8 HD22 LEU 8 6.382 27.060 16.534 95 HD23 LEU 8 HD23 LEU 8 5.037 26.064 15.975 96 H THR 9 HN THR 9 10.274 22.696 17.492 97 HA THR 9 HA THR 9 12.467 24.165 18.695 98 HB THR 9 HB THR 9 13.458 21.846 19.043 99 HG1 THR 9 HG1 THR 9 11.951 20.090 18.630 100 HG21 THR 9 HG21 THR 9 10.611 22.229 20.054 101 HG22 THR 9 HG22 THR 9 12.068 22.883 20.806 102 HG23 THR 9 HG23 THR 9 11.813 21.139 20.748 103 H GLY 10 HN GLY 10 11.709 23.236 15.518 104 HA2 GLY 10 HA2 GLY 10 12.786 24.349 13.755 105 HA3 GLY 10 HA1 GLY 10 14.261 24.440 14.696 106 H LYS 11 HN LYS 11 12.798 21.334 14.655 107 HA LYS 11 HA LYS 11 14.800 20.349 12.734 108 HB2 LYS 11 HB2 LYS 11 14.702 18.266 13.743 109 HB3 LYS 11 HB1 LYS 11 14.311 19.284 15.116 110 HG2 LYS 11 HG2 LYS 11 11.939 18.779 14.869 111 HG3 LYS 11 HG1 LYS 11 12.267 17.874 13.388 112 HD2 LYS 11 HD2 LYS 11 13.492 17.059 16.045 113 HD3 LYS 11 HD1 LYS 11 11.858 16.563 15.605 114 HE2 LYS 11 HE2 LYS 11 13.436 14.790 15.053 115 HE3 LYS 11 HE1 LYS 11 12.749 15.451 13.576 116 HZ1 LYS 11 HZ1 LYS 11 15.144 15.026 13.452 117 HZ2 LYS 11 HZ2 LYS 11 15.414 16.176 14.660 118 HZ3 LYS 11 HZ3 LYS 11 14.766 16.646 13.171 119 H THR 12 HN THR 12 14.182 19.066 10.924 120 HA THR 12 HA THR 12 11.383 19.377 10.004 121 HB THR 12 HB THR 12 13.850 18.489 8.455 122 HG1 THR 12 HG1 THR 12 13.911 20.523 7.658 123 HG21 THR 12 HG21 THR 12 11.772 17.574 7.455 124 HG22 THR 12 HG22 THR 12 12.438 18.842 6.426 125 HG23 THR 12 HG23 THR 12 11.048 19.181 7.463 126 H ILE 13 HN ILE 13 10.117 17.630 9.628 127 HA ILE 13 HA ILE 13 11.161 14.881 10.026 128 HB ILE 13 HB ILE 13 8.375 15.877 10.799 129 HG12 ILE 13 HG12 ILE 13 9.350 14.999 13.171 130 HG13 ILE 13 HG11 ILE 13 10.883 15.423 12.434 131 HG21 ILE 13 HG21 ILE 13 9.634 13.142 11.134 132 HG22 ILE 13 HG22 ILE 13 8.348 13.573 10.010 133 HG23 ILE 13 HG23 ILE 13 8.049 13.625 11.746 134 HD11 ILE 13 HD11 ILE 13 10.022 17.209 13.806 135 HD12 ILE 13 HD12 ILE 13 8.555 17.290 12.834 136 HD13 ILE 13 HD13 ILE 13 10.117 17.714 12.120 137 H THR 14 HN THR 14 11.102 13.831 8.135 138 HA THR 14 HA THR 14 9.200 14.628 6.019 139 HB THR 14 HB THR 14 11.776 13.006 5.851 140 HG1 THR 14 HG1 THR 14 11.146 15.700 5.645 141 HG21 THR 14 HG21 THR 14 9.965 14.004 3.605 142 HG22 THR 14 HG22 THR 14 10.189 12.315 4.068 143 HG23 THR 14 HG23 THR 14 11.534 13.230 3.384 144 H LEU 15 HN LEU 15 7.456 13.402 5.766 145 HA LEU 15 HA LEU 15 7.349 10.666 6.904 146 HB2 LEU 15 HB2 LEU 15 4.959 12.391 6.125 147 HB3 LEU 15 HB1 LEU 15 4.942 10.906 7.042 148 HG LEU 15 HG LEU 15 4.536 12.589 8.635 149 HD11 LEU 15 HD11 LEU 15 7.512 12.064 8.867 150 HD12 LEU 15 HD12 LEU 15 6.238 10.949 9.355 151 HD13 LEU 15 HD13 LEU 15 6.396 12.499 10.165 152 HD21 LEU 15 HD21 LEU 15 5.139 14.548 7.303 153 HD22 LEU 15 HD22 LEU 15 6.856 14.200 7.526 154 HD23 LEU 15 HD23 LEU 15 5.852 14.634 8.911 155 H GLU 16 HN GLU 16 6.280 9.049 5.740 156 HA GLU 16 HA GLU 16 6.460 9.343 2.795 157 HB2 GLU 16 HB2 GLU 16 6.684 6.780 4.442 158 HB3 GLU 16 HB1 GLU 16 6.979 6.952 2.714 159 HG2 GLU 16 HG2 GLU 16 8.634 8.092 4.974 160 HG3 GLU 16 HG1 GLU 16 9.086 6.768 3.902 161 H VAL 17 HN VAL 17 4.222 10.213 2.872 162 HA VAL 17 HA VAL 17 2.222 8.046 2.758 163 HB VAL 17 HB VAL 17 0.523 9.088 4.050 164 HG11 VAL 17 HG11 VAL 17 1.383 9.376 6.331 165 HG12 VAL 17 HG12 VAL 17 3.028 9.519 5.708 166 HG13 VAL 17 HG13 VAL 17 2.148 8.001 5.531 167 HG21 VAL 17 HG21 VAL 17 2.190 11.605 4.284 168 HG22 VAL 17 HG22 VAL 17 0.607 11.348 5.013 169 HG23 VAL 17 HG23 VAL 17 0.771 11.387 3.259 170 H GLU 18 HN GLU 18 0.144 8.971 1.812 171 HA GLU 18 HA GLU 18 0.817 10.483 -0.619 172 HB2 GLU 18 HB2 GLU 18 -1.857 9.160 0.018 173 HB3 GLU 18 HB1 GLU 18 -1.155 9.503 -1.565 174 HG2 GLU 18 HG2 GLU 18 0.629 7.798 -1.061 175 HG3 GLU 18 HG1 GLU 18 -0.237 7.419 0.424 176 HA PRO 19 HA PRO 19 -1.567 14.152 0.768 177 HB2 PRO 19 HB2 PRO 19 -2.852 14.848 -1.615 178 HB3 PRO 19 HB1 PRO 19 -1.196 15.308 -1.203 179 HG2 PRO 19 HG2 PRO 19 -2.151 13.015 -2.906 180 HG3 PRO 19 HG1 PRO 19 -0.807 14.141 -3.190 181 HD2 PRO 19 HD2 PRO 19 -0.363 11.650 -2.263 182 HD3 PRO 19 HD1 PRO 19 0.612 13.024 -1.688 183 H SER 20 HN SER 20 -3.029 11.442 -0.944 184 HA SER 20 HA SER 20 -5.724 12.016 0.121 185 HB2 SER 20 HB2 SER 20 -5.416 11.567 -2.349 186 HB3 SER 20 HB1 SER 20 -4.860 9.943 -1.953 187 HG SER 20 HG SER 20 -6.917 9.549 -1.033 188 H ASP 21 HN ASP 21 -3.283 10.873 1.644 189 HA ASP 21 HA ASP 21 -3.994 8.120 2.231 190 HB2 ASP 21 HB2 ASP 21 -1.620 9.088 2.151 191 HB3 ASP 21 HB1 ASP 21 -1.963 9.872 3.681 192 H THR 22 HN THR 22 -3.159 10.204 4.953 193 HA THR 22 HA THR 22 -5.592 11.222 5.780 194 HB THR 22 HB THR 22 -6.435 8.942 6.149 195 HG1 THR 22 HG1 THR 22 -7.053 10.534 7.689 196 HG21 THR 22 HG21 THR 22 -4.302 7.735 6.482 197 HG22 THR 22 HG22 THR 22 -5.442 7.387 7.780 198 HG23 THR 22 HG23 THR 22 -4.109 8.509 8.059 199 H ILE 23 HN ILE 23 -5.357 12.465 7.634 200 HA ILE 23 HA ILE 23 -2.799 13.373 8.367 201 HB ILE 23 HB ILE 23 -5.471 13.792 9.783 202 HG12 ILE 23 HG12 ILE 23 -5.503 14.654 7.455 203 HG13 ILE 23 HG11 ILE 23 -5.588 15.975 8.609 204 HG21 ILE 23 HG21 ILE 23 -2.903 15.377 10.156 205 HG22 ILE 23 HG22 ILE 23 -3.649 14.298 11.332 206 HG23 ILE 23 HG23 ILE 23 -4.472 15.780 10.861 207 HD11 ILE 23 HD11 ILE 23 -3.128 15.125 7.074 208 HD12 ILE 23 HD12 ILE 23 -3.213 16.459 8.227 209 HD13 ILE 23 HD13 ILE 23 -4.148 16.523 6.734 210 H GLU 24 HN GLU 24 -5.060 11.154 9.943 211 HA GLU 24 HA GLU 24 -3.938 10.774 12.456 212 HB2 GLU 24 HB2 GLU 24 -6.093 9.793 11.768 213 HB3 GLU 24 HB1 GLU 24 -5.277 8.732 10.626 214 HG2 GLU 24 HG2 GLU 24 -4.116 7.627 12.561 215 HG3 GLU 24 HG1 GLU 24 -5.079 8.622 13.654 216 H ASN 25 HN ASN 25 -3.053 9.337 9.353 217 HA ASN 25 HA ASN 25 -1.138 7.472 10.393 218 HB2 ASN 25 HB2 ASN 25 -2.402 7.338 8.149 219 HB3 ASN 25 HB1 ASN 25 -1.245 8.499 7.529 220 HD21 ASN 25 HD21 ASN 25 -1.571 5.310 8.950 221 HD22 ASN 25 HD22 ASN 25 -0.137 4.637 8.257 222 H VAL 26 HN VAL 26 -1.004 10.648 8.855 223 HA VAL 26 HA VAL 26 1.748 10.951 8.494 224 HB VAL 26 HB VAL 26 -0.213 13.200 9.200 225 HG11 VAL 26 HG11 VAL 26 1.334 14.720 7.998 226 HG12 VAL 26 HG12 VAL 26 2.452 13.382 7.722 227 HG13 VAL 26 HG13 VAL 26 2.141 13.947 9.362 228 HG21 VAL 26 HG21 VAL 26 0.521 12.113 6.459 229 HG22 VAL 26 HG22 VAL 26 -0.521 13.502 6.774 230 HG23 VAL 26 HG23 VAL 26 -1.021 11.893 7.285 231 H LYS 27 HN LYS 27 -0.243 11.841 11.321 232 HA LYS 27 HA LYS 27 1.915 12.940 12.833 233 HB2 LYS 27 HB2 LYS 27 0.347 13.087 14.682 234 HB3 LYS 27 HB1 LYS 27 -0.409 13.633 13.194 235 HG2 LYS 27 HG2 LYS 27 -1.557 11.411 13.027 236 HG3 LYS 27 HG1 LYS 27 -0.876 10.992 14.603 237 HD2 LYS 27 HD2 LYS 27 -3.163 11.783 14.894 238 HD3 LYS 27 HD1 LYS 27 -2.046 12.946 15.613 239 HE2 LYS 27 HE2 LYS 27 -2.239 14.347 13.548 240 HE3 LYS 27 HE1 LYS 27 -3.406 13.194 12.908 241 HZ1 LYS 27 HZ1 LYS 27 -3.738 14.865 15.337 242 HZ2 LYS 27 HZ2 LYS 27 -4.820 13.664 14.846 243 HZ3 LYS 27 HZ3 LYS 27 -4.566 15.025 13.871 244 H ALA 28 HN ALA 28 0.396 9.736 12.697 245 HA ALA 28 HA ALA 28 1.959 8.501 14.736 246 HB1 ALA 28 HB1 ALA 28 0.634 7.254 12.299 247 HB2 ALA 28 HB2 ALA 28 -0.126 7.511 13.871 248 HB3 ALA 28 HB3 ALA 28 1.221 6.381 13.716 249 H LYS 29 HN LYS 29 2.642 9.381 11.408 250 HA LYS 29 HA LYS 29 5.016 7.770 11.172 251 HB2 LYS 29 HB2 LYS 29 4.126 10.115 9.452 252 HB3 LYS 29 HB1 LYS 29 5.517 9.103 9.115 253 HG2 LYS 29 HG2 LYS 29 2.592 8.397 8.922 254 HG3 LYS 29 HG1 LYS 29 3.794 8.440 7.642 255 HD2 LYS 29 HD2 LYS 29 3.837 6.169 7.908 256 HD3 LYS 29 HD1 LYS 29 4.885 6.508 9.283 257 HE2 LYS 29 HE2 LYS 29 2.880 6.485 10.769 258 HE3 LYS 29 HE1 LYS 29 1.877 6.079 9.377 259 HZ1 LYS 29 HZ1 LYS 29 3.144 4.036 9.103 260 HZ2 LYS 29 HZ2 LYS 29 2.452 4.113 10.644 261 HZ3 LYS 29 HZ3 LYS 29 4.096 4.426 10.442 262 H ILE 30 HN ILE 30 4.346 11.191 12.146 263 HA ILE 30 HA ILE 30 6.998 12.036 12.501 264 HB ILE 30 HB ILE 30 4.434 12.768 13.952 265 HG12 ILE 30 HG12 ILE 30 5.252 15.149 13.097 266 HG13 ILE 30 HG11 ILE 30 6.327 14.215 12.071 267 HG21 ILE 30 HG21 ILE 30 6.060 12.833 15.763 268 HG22 ILE 30 HG22 ILE 30 5.600 14.477 15.320 269 HG23 ILE 30 HG23 ILE 30 7.151 13.823 14.790 270 HD11 ILE 30 HD11 ILE 30 4.341 14.916 10.903 271 HD12 ILE 30 HD12 ILE 30 3.327 14.073 12.073 272 HD13 ILE 30 HD13 ILE 30 4.408 13.158 11.018 273 H GLN 31 HN GLN 31 4.905 10.171 14.669 274 HA GLN 31 HA GLN 31 6.726 9.697 16.769 275 HB2 GLN 31 HB2 GLN 31 4.286 9.305 16.894 276 HB3 GLN 31 HB1 GLN 31 4.429 7.965 15.762 277 HG2 GLN 31 HG2 GLN 31 5.806 6.738 17.399 278 HG3 GLN 31 HG1 GLN 31 5.673 8.086 18.522 279 HE21 GLN 31 HE21 GLN 31 2.968 6.956 16.533 280 HE22 GLN 31 HE22 GLN 31 2.032 6.363 17.855 281 H ASP 32 HN ASP 32 6.315 8.118 13.658 282 HA ASP 32 HA ASP 32 8.116 5.927 14.088 283 HB2 ASP 32 HB2 ASP 32 6.353 5.824 12.393 284 HB3 ASP 32 HB1 ASP 32 7.018 7.219 11.555 285 H LYS 33 HN LYS 33 8.583 9.299 13.141 286 HA LYS 33 HA LYS 33 11.274 8.777 12.050 287 HB2 LYS 33 HB2 LYS 33 9.704 11.383 12.106 288 HB3 LYS 33 HB1 LYS 33 11.233 11.122 11.273 289 HG2 LYS 33 HG2 LYS 33 8.570 9.851 10.607 290 HG3 LYS 33 HG1 LYS 33 9.392 11.117 9.694 291 HD2 LYS 33 HD2 LYS 33 11.131 9.612 9.020 292 HD3 LYS 33 HD1 LYS 33 10.579 8.358 10.138 293 HE2 LYS 33 HE2 LYS 33 8.404 8.284 8.817 294 HE3 LYS 33 HE1 LYS 33 9.191 9.323 7.620 295 HZ1 LYS 33 HZ1 LYS 33 10.149 6.660 8.497 296 HZ2 LYS 33 HZ2 LYS 33 10.873 7.642 7.322 297 HZ3 LYS 33 HZ3 LYS 33 9.340 6.982 7.046 298 H GLU 34 HN GLU 34 9.947 11.374 14.217 299 HA GLU 34 HA GLU 34 12.590 11.742 15.372 300 HB2 GLU 34 HB2 GLU 34 11.700 13.676 16.539 301 HB3 GLU 34 HB1 GLU 34 11.265 13.744 14.838 302 HG2 GLU 34 HG2 GLU 34 8.977 13.083 15.351 303 HG3 GLU 34 HG1 GLU 34 9.386 12.860 17.051 304 H GLY 35 HN GLY 35 9.601 10.178 16.222 305 HA2 GLY 35 HA2 GLY 35 9.571 8.310 17.682 306 HA3 GLY 35 HA1 GLY 35 10.926 8.978 18.576 307 H ILE 36 HN ILE 36 8.383 11.172 17.805 308 HA ILE 36 HA ILE 36 7.599 11.252 20.655 309 HB ILE 36 HB ILE 36 7.844 13.443 18.556 310 HG12 ILE 36 HG12 ILE 36 8.966 14.660 20.520 311 HG13 ILE 36 HG11 ILE 36 8.809 13.179 21.454 312 HG21 ILE 36 HG21 ILE 36 6.631 15.034 20.052 313 HG22 ILE 36 HG22 ILE 36 6.148 13.669 21.068 314 HG23 ILE 36 HG23 ILE 36 5.581 13.770 19.403 315 HD11 ILE 36 HD11 ILE 36 10.299 12.036 19.888 316 HD12 ILE 36 HD12 ILE 36 11.052 13.474 20.582 317 HD13 ILE 36 HD13 ILE 36 10.427 13.518 18.935 318 HA PRO 37 HA PRO 37 3.743 9.486 19.229 319 HB2 PRO 37 HB2 PRO 37 2.309 9.596 21.551 320 HB3 PRO 37 HB1 PRO 37 3.686 8.505 21.350 321 HG2 PRO 37 HG2 PRO 37 3.598 11.214 22.679 322 HG3 PRO 37 HG1 PRO 37 4.323 9.700 23.273 323 HD2 PRO 37 HD2 PRO 37 5.807 11.646 22.081 324 HD3 PRO 37 HD1 PRO 37 6.214 9.927 21.912 325 HA PRO 38 HA PRO 38 0.885 12.756 17.950 326 HB2 PRO 38 HB2 PRO 38 -1.574 11.420 18.224 327 HB3 PRO 38 HB1 PRO 38 -0.495 11.295 16.831 328 HG2 PRO 38 HG2 PRO 38 -0.727 9.465 19.217 329 HG3 PRO 38 HG1 PRO 38 -0.578 9.049 17.494 330 HD2 PRO 38 HD2 PRO 38 1.545 8.886 19.096 331 HD3 PRO 38 HD1 PRO 38 1.727 9.539 17.451 332 H ASP 39 HN ASP 39 0.662 11.334 21.090 333 HA ASP 39 HA ASP 39 -1.263 13.122 22.267 334 HB2 ASP 39 HB2 ASP 39 -0.822 10.884 23.202 335 HB3 ASP 39 HB1 ASP 39 0.862 11.299 23.496 336 H GLN 40 HN GLN 40 2.148 13.212 21.630 337 HA GLN 40 HA GLN 40 2.626 15.613 23.295 338 HB2 GLN 40 HB2 GLN 40 4.359 13.296 22.479 339 HB3 GLN 40 HB1 GLN 40 5.146 14.851 22.636 340 HG2 GLN 40 HG2 GLN 40 5.314 13.500 24.680 341 HG3 GLN 40 HG1 GLN 40 4.474 15.032 24.940 342 HE21 GLN 40 HE21 GLN 40 4.073 11.551 24.768 343 HE22 GLN 40 HE22 GLN 40 2.507 11.515 25.503 344 H GLN 41 HN GLN 41 2.484 14.592 20.043 345 HA GLN 41 HA GLN 41 3.644 17.165 19.129 346 HB2 GLN 41 HB2 GLN 41 3.980 16.087 16.943 347 HB3 GLN 41 HB1 GLN 41 4.820 15.246 18.228 348 HG2 GLN 41 HG2 GLN 41 4.008 13.463 17.047 349 HG3 GLN 41 HG1 GLN 41 2.701 13.678 18.200 350 HE21 GLN 41 HE21 GLN 41 3.699 14.230 14.935 351 HE22 GLN 41 HE22 GLN 41 2.136 14.313 14.250 352 H ARG 42 HN ARG 42 2.527 18.296 17.390 353 HA ARG 42 HA ARG 42 -0.387 17.807 17.234 354 HB2 ARG 42 HB2 ARG 42 0.455 19.428 19.128 355 HB3 ARG 42 HB1 ARG 42 0.746 20.572 17.820 356 HG2 ARG 42 HG2 ARG 42 -1.603 20.673 17.288 357 HG3 ARG 42 HG1 ARG 42 -1.956 19.307 18.358 358 HD2 ARG 42 HD2 ARG 42 -1.032 20.715 20.265 359 HD3 ARG 42 HD1 ARG 42 -1.044 22.081 19.149 360 HE ARG 42 HE ARG 42 -3.599 20.981 19.101 361 HH11 ARG 42 HH11 ARG 42 -1.541 22.599 21.457 362 HH12 ARG 42 HH12 ARG 42 -2.875 23.180 22.401 363 HH21 ARG 42 HH21 ARG 42 -5.333 21.767 20.347 364 HH22 ARG 42 HH22 ARG 42 -5.017 22.712 21.767 365 H LEU 43 HN LEU 43 -1.110 18.038 15.192 366 HA LEU 43 HA LEU 43 0.705 19.051 13.106 367 HB2 LEU 43 HB2 LEU 43 -1.484 17.017 13.185 368 HB3 LEU 43 HB1 LEU 43 -1.478 17.991 11.730 369 HG LEU 43 HG LEU 43 -0.243 15.899 11.382 370 HD11 LEU 43 HD11 LEU 43 1.816 16.808 10.434 371 HD12 LEU 43 HD12 LEU 43 1.641 18.284 11.387 372 HD13 LEU 43 HD13 LEU 43 0.466 17.900 10.127 373 HD21 LEU 43 HD21 LEU 43 1.631 16.854 13.561 374 HD22 LEU 43 HD22 LEU 43 1.837 15.417 12.557 375 HD23 LEU 43 HD23 LEU 43 0.490 15.514 13.686 376 H ILE 44 HN ILE 44 0.422 20.978 12.218 377 HA ILE 44 HA ILE 44 -2.246 22.214 11.978 378 HB ILE 44 HB ILE 44 0.175 23.546 13.291 379 HG12 ILE 44 HG12 ILE 44 -2.662 23.122 14.374 380 HG13 ILE 44 HG11 ILE 44 -1.307 22.067 14.743 381 HG21 ILE 44 HG21 ILE 44 -0.841 25.195 11.775 382 HG22 ILE 44 HG22 ILE 44 -1.163 25.640 13.450 383 HG23 ILE 44 HG23 ILE 44 -2.433 24.895 12.479 384 HD11 ILE 44 HD11 ILE 44 -0.181 23.915 15.841 385 HD12 ILE 44 HD12 ILE 44 -1.760 23.562 16.544 386 HD13 ILE 44 HD13 ILE 44 -1.561 24.956 15.483 387 H PHE 45 HN PHE 45 -2.508 23.014 9.970 388 HA PHE 45 HA PHE 45 -0.177 24.073 8.469 389 HB2 PHE 45 HB2 PHE 45 -0.875 21.928 7.443 390 HB3 PHE 45 HB1 PHE 45 -2.539 22.494 7.339 391 HD1 PHE 45 HD2 PHE 45 0.927 23.249 6.112 392 HD2 PHE 45 HD1 PHE 45 -3.266 23.662 5.368 393 HE1 PHE 45 HE2 PHE 45 1.413 24.135 3.874 394 HE2 PHE 45 HE1 PHE 45 -2.768 24.560 3.135 395 HZ PHE 45 HZ PHE 45 -0.436 24.792 2.381 396 H ALA 46 HN ALA 46 -0.498 26.097 7.750 397 HA ALA 46 HA ALA 46 -1.408 28.085 7.146 398 HB1 ALA 46 HB1 ALA 46 -2.823 26.718 5.631 399 HB2 ALA 46 HB2 ALA 46 -3.669 28.163 6.188 400 HB3 ALA 46 HB3 ALA 46 -4.045 26.588 6.899 401 H GLY 47 HN GLY 47 -1.559 26.979 10.023 402 HA2 GLY 47 HA2 GLY 47 -1.956 28.032 12.040 403 HA3 GLY 47 HA1 GLY 47 -2.888 29.269 11.213 404 H LYS 48 HN LYS 48 -3.753 25.956 10.604 405 HA LYS 48 HA LYS 48 -5.865 25.967 12.697 406 HB2 LYS 48 HB2 LYS 48 -7.511 25.104 11.158 407 HB3 LYS 48 HB1 LYS 48 -6.793 26.514 10.385 408 HG2 LYS 48 HG2 LYS 48 -5.228 24.767 9.212 409 HG3 LYS 48 HG1 LYS 48 -6.433 23.589 9.708 410 HD2 LYS 48 HD2 LYS 48 -6.830 24.271 7.422 411 HD3 LYS 48 HD1 LYS 48 -8.157 24.839 8.441 412 HE2 LYS 48 HE2 LYS 48 -7.198 27.099 8.458 413 HE3 LYS 48 HE1 LYS 48 -5.818 26.543 7.509 414 HZ1 LYS 48 HZ1 LYS 48 -8.647 26.525 6.620 415 HZ2 LYS 48 HZ2 LYS 48 -7.330 26.019 5.699 416 HZ3 LYS 48 HZ3 LYS 48 -7.479 27.645 6.143 417 H GLN 49 HN GLN 49 -6.310 23.950 13.612 418 HA GLN 49 HA GLN 49 -4.160 22.037 13.582 419 HB2 GLN 49 HB2 GLN 49 -5.508 22.703 15.619 420 HB3 GLN 49 HB1 GLN 49 -6.866 21.796 14.966 421 HG2 GLN 49 HG2 GLN 49 -5.524 19.718 15.080 422 HG3 GLN 49 HG1 GLN 49 -4.166 20.640 15.734 423 HE21 GLN 49 HE21 GLN 49 -7.594 21.085 16.581 424 HE22 GLN 49 HE22 GLN 49 -7.428 20.600 18.231 425 H LEU 50 HN LEU 50 -4.162 19.958 12.755 426 HA LEU 50 HA LEU 50 -6.017 19.458 10.554 427 HB2 LEU 50 HB2 LEU 50 -3.495 17.936 11.292 428 HB3 LEU 50 HB1 LEU 50 -4.395 17.838 9.786 429 HG LEU 50 HG LEU 50 -2.667 20.137 10.765 430 HD11 LEU 50 HD11 LEU 50 -1.467 18.306 9.738 431 HD12 LEU 50 HD12 LEU 50 -1.411 19.740 8.718 432 HD13 LEU 50 HD13 LEU 50 -2.488 18.405 8.301 433 HD21 LEU 50 HD21 LEU 50 -3.284 21.414 8.765 434 HD22 LEU 50 HD22 LEU 50 -4.692 21.145 9.785 435 HD23 LEU 50 HD23 LEU 50 -4.470 20.185 8.321 436 H GLU 51 HN GLU 51 -7.596 17.977 10.662 437 HA GLU 51 HA GLU 51 -8.075 16.474 13.094 438 HB2 GLU 51 HB2 GLU 51 -9.932 17.720 12.130 439 HB3 GLU 51 HB1 GLU 51 -9.718 16.947 10.566 440 HG2 GLU 51 HG2 GLU 51 -10.442 14.792 11.506 441 HG3 GLU 51 HG1 GLU 51 -10.597 15.523 13.099 442 H ASP 52 HN ASP 52 -8.168 14.256 13.247 443 HA ASP 52 HA ASP 52 -6.225 12.782 11.878 444 HB2 ASP 52 HB2 ASP 52 -8.532 11.816 13.619 445 HB3 ASP 52 HB1 ASP 52 -7.180 10.798 13.115 446 H GLY 53 HN GLY 53 -9.776 12.685 11.585 447 HA2 GLY 53 HA2 GLY 53 -9.976 10.452 9.854 448 HA3 GLY 53 HA1 GLY 53 -11.222 11.654 10.141 449 H ARG 54 HN ARG 54 -9.376 13.832 9.230 450 HA ARG 54 HA ARG 54 -10.074 13.787 6.428 451 HB2 ARG 54 HB2 ARG 54 -8.559 15.831 8.095 452 HB3 ARG 54 HB1 ARG 54 -9.030 16.079 6.410 453 HG2 ARG 54 HG2 ARG 54 -11.423 15.805 7.089 454 HG3 ARG 54 HG1 ARG 54 -10.904 15.669 8.768 455 HD2 ARG 54 HD2 ARG 54 -9.984 17.909 8.701 456 HD3 ARG 54 HD1 ARG 54 -10.389 18.082 6.992 457 HE ARG 54 HE ARG 54 -12.481 17.648 9.042 458 HH11 ARG 54 HH11 ARG 54 -11.211 19.546 6.372 459 HH12 ARG 54 HH12 ARG 54 -12.556 20.649 6.374 460 HH21 ARG 54 HH21 ARG 54 -14.218 19.120 9.011 461 HH22 ARG 54 HH22 ARG 54 -14.242 20.404 7.848 462 H THR 55 HN THR 55 -8.300 14.775 4.910 463 HA THR 55 HA THR 55 -5.811 13.160 5.129 464 HB THR 55 HB THR 55 -5.741 13.214 2.614 465 HG1 THR 55 HG1 THR 55 -8.280 13.716 2.036 466 HG21 THR 55 HG21 THR 55 -8.267 11.957 3.740 467 HG22 THR 55 HG22 THR 55 -6.661 11.222 3.725 468 HG23 THR 55 HG23 THR 55 -7.503 11.534 2.207 469 H LEU 56 HN LEU 56 -4.007 14.113 3.866 470 HA LEU 56 HA LEU 56 -3.315 16.716 4.592 471 HB2 LEU 56 HB2 LEU 56 -2.302 14.983 2.302 472 HB3 LEU 56 HB1 LEU 56 -1.563 16.510 2.746 473 HG LEU 56 HG LEU 56 -1.698 14.047 4.536 474 HD11 LEU 56 HD11 LEU 56 0.730 13.883 4.148 475 HD12 LEU 56 HD12 LEU 56 0.654 15.237 3.019 476 HD13 LEU 56 HD13 LEU 56 -0.169 13.723 2.641 477 HD21 LEU 56 HD21 LEU 56 -0.177 15.281 6.041 478 HD22 LEU 56 HD22 LEU 56 -1.707 16.130 5.860 479 HD23 LEU 56 HD23 LEU 56 -0.281 16.707 5.000 480 H SER 57 HN SER 57 -4.497 15.476 1.487 481 HA SER 57 HA SER 57 -4.493 17.851 0.011 482 HB2 SER 57 HB2 SER 57 -4.555 15.534 -0.949 483 HB3 SER 57 HB1 SER 57 -6.236 15.391 -0.437 484 HG SER 57 HG SER 57 -6.716 17.155 -1.803 485 H ASP 58 HN ASP 58 -6.793 16.568 2.320 486 HA ASP 58 HA ASP 58 -9.104 18.061 1.568 487 HB2 ASP 58 HB2 ASP 58 -9.144 16.081 3.097 488 HB3 ASP 58 HB1 ASP 58 -8.282 17.008 4.319 489 H TYR 59 HN TYR 59 -6.374 18.675 3.744 490 HA TYR 59 HA TYR 59 -7.269 21.386 4.387 491 HB2 TYR 59 HB2 TYR 59 -5.079 19.571 5.436 492 HB3 TYR 59 HB1 TYR 59 -5.027 21.293 5.763 493 HD1 TYR 59 HD1 TYR 59 -7.223 22.329 6.790 494 HD2 TYR 59 HD2 TYR 59 -6.225 18.176 6.970 495 HE1 TYR 59 HE1 TYR 59 -8.666 22.072 8.755 496 HE2 TYR 59 HE2 TYR 59 -7.670 17.928 8.932 497 HH TYR 59 HH TYR 59 -8.514 19.602 10.829 498 H ASN 60 HN ASN 60 -6.188 20.435 1.635 499 HA ASN 60 HA ASN 60 -5.219 21.443 -0.152 500 HB2 ASN 60 HB2 ASN 60 -4.553 23.735 1.757 501 HB3 ASN 60 HB1 ASN 60 -4.309 23.798 0.016 502 HD21 ASN 60 HD21 ASN 60 -6.736 23.601 2.557 503 HD22 ASN 60 HD22 ASN 60 -8.050 24.220 1.611 504 H ILE 61 HN ILE 61 -3.611 20.017 2.170 505 HA ILE 61 HA ILE 61 -0.854 20.777 1.619 506 HB ILE 61 HB ILE 61 -1.841 18.344 3.178 507 HG12 ILE 61 HG12 ILE 61 -1.194 20.995 4.518 508 HG13 ILE 61 HG11 ILE 61 -2.819 20.634 3.952 509 HG21 ILE 61 HG21 ILE 61 0.313 18.506 4.391 510 HG22 ILE 61 HG22 ILE 61 0.772 19.887 3.392 511 HG23 ILE 61 HG23 ILE 61 0.561 18.298 2.656 512 HD11 ILE 61 HD11 ILE 61 -2.512 20.184 6.332 513 HD12 ILE 61 HD12 ILE 61 -1.291 18.972 5.947 514 HD13 ILE 61 HD13 ILE 61 -2.970 18.738 5.430 515 H GLN 62 HN GLN 62 0.078 20.021 -0.211 516 HA GLN 62 HA GLN 62 -0.671 17.368 -1.319 517 HB2 GLN 62 HB2 GLN 62 0.280 18.164 -3.445 518 HB3 GLN 62 HB1 GLN 62 -0.984 19.255 -2.890 519 HG2 GLN 62 HG2 GLN 62 0.652 20.905 -2.204 520 HG3 GLN 62 HG1 GLN 62 1.980 19.781 -2.487 521 HE21 GLN 62 HE21 GLN 62 2.577 19.305 -4.620 522 HE22 GLN 62 HE22 GLN 62 2.125 20.314 -5.942 523 H LYS 63 HN LYS 63 1.489 16.631 -2.701 524 HA LYS 63 HA LYS 63 3.474 15.788 -0.895 525 HB2 LYS 63 HB2 LYS 63 4.820 15.211 -2.919 526 HB3 LYS 63 HB1 LYS 63 3.173 14.619 -3.034 527 HG2 LYS 63 HG2 LYS 63 2.618 16.615 -4.471 528 HG3 LYS 63 HG1 LYS 63 4.339 17.023 -4.471 529 HD2 LYS 63 HD2 LYS 63 3.141 14.407 -5.471 530 HD3 LYS 63 HD1 LYS 63 3.685 15.735 -6.500 531 HE2 LYS 63 HE2 LYS 63 5.621 14.501 -4.542 532 HE3 LYS 63 HE1 LYS 63 5.257 13.678 -6.040 533 HZ1 LYS 63 HZ1 LYS 63 7.190 15.124 -6.220 534 HZ2 LYS 63 HZ2 LYS 63 6.237 16.464 -5.841 535 HZ3 LYS 63 HZ3 LYS 63 5.962 15.610 -7.270 536 H GLU 64 HN GLU 64 5.544 16.432 -0.569 537 HA GLU 64 HA GLU 64 7.234 17.772 0.008 538 HB2 GLU 64 HB2 GLU 64 6.542 19.200 -2.585 539 HB3 GLU 64 HB1 GLU 64 8.054 19.415 -1.701 540 HG2 GLU 64 HG2 GLU 64 8.758 17.174 -2.161 541 HG3 GLU 64 HG1 GLU 64 7.159 16.703 -2.738 542 H SER 65 HN SER 65 4.169 18.817 0.424 543 HA SER 65 HA SER 65 4.525 21.629 0.832 544 HB2 SER 65 HB2 SER 65 2.395 19.753 1.916 545 HB3 SER 65 HB1 SER 65 2.340 21.513 2.025 546 HG SER 65 HG SER 65 2.760 20.408 -0.495 547 H THR 66 HN THR 66 4.850 22.787 2.709 548 HA THR 66 HA THR 66 5.982 21.308 4.999 549 HB THR 66 HB THR 66 6.556 24.194 4.187 550 HG1 THR 66 HG1 THR 66 7.335 22.119 2.923 551 HG21 THR 66 HG21 THR 66 8.449 24.003 5.781 552 HG22 THR 66 HG22 THR 66 7.936 22.370 6.210 553 HG23 THR 66 HG23 THR 66 6.911 23.748 6.612 554 H LEU 67 HN LEU 67 5.193 21.613 6.957 555 HA LEU 67 HA LEU 67 3.223 23.659 7.619 556 HB2 LEU 67 HB2 LEU 67 1.627 21.956 8.511 557 HB3 LEU 67 HB1 LEU 67 1.745 21.962 6.767 558 HG LEU 67 HG LEU 67 3.146 19.890 8.507 559 HD11 LEU 67 HD11 LEU 67 1.315 18.353 7.969 560 HD12 LEU 67 HD12 LEU 67 0.458 19.641 7.117 561 HD13 LEU 67 HD13 LEU 67 0.713 19.752 8.861 562 HD21 LEU 67 HD21 LEU 67 3.230 18.530 6.437 563 HD22 LEU 67 HD22 LEU 67 4.106 20.045 6.248 564 HD23 LEU 67 HD23 LEU 67 2.507 19.862 5.527 565 H HIS 68 HN HIS 68 2.561 23.169 10.085 566 HA HIS 68 HA HIS 68 5.194 23.065 11.439 567 HB2 HIS 68 HB2 HIS 68 2.656 24.577 12.165 568 HB3 HIS 68 HB1 HIS 68 4.065 24.484 13.223 569 HD1 HIS 68 HD1 HIS 68 2.665 26.482 10.551 570 HD2 HIS 68 HD2 HIS 68 6.494 25.598 11.903 571 HE1 HIS 68 HE1 HIS 68 4.148 28.237 9.564 572 HE2 HIS 68 HE2 HIS 68 6.417 27.804 10.561 573 H LEU 69 HN LEU 69 5.410 22.259 13.491 574 HA LEU 69 HA LEU 69 3.501 20.235 14.464 575 HB2 LEU 69 HB2 LEU 69 5.548 19.336 13.135 576 HB3 LEU 69 HB1 LEU 69 6.543 19.909 14.446 577 HG LEU 69 HG LEU 69 6.120 17.446 14.503 578 HD11 LEU 69 HD11 LEU 69 5.654 17.201 16.860 579 HD12 LEU 69 HD12 LEU 69 4.921 18.804 16.926 580 HD13 LEU 69 HD13 LEU 69 6.646 18.635 16.606 581 HD21 LEU 69 HD21 LEU 69 3.227 18.174 15.029 582 HD22 LEU 69 HD22 LEU 69 3.924 16.554 15.105 583 HD23 LEU 69 HD23 LEU 69 3.865 17.412 13.567 584 H VAL 70 HN VAL 70 3.040 20.650 16.541 585 HA VAL 70 HA VAL 70 4.832 22.378 18.159 586 HB VAL 70 HB VAL 70 1.825 21.907 18.465 587 HG11 VAL 70 HG11 VAL 70 1.897 23.719 20.164 588 HG12 VAL 70 HG12 VAL 70 3.653 23.793 20.014 589 HG13 VAL 70 HG13 VAL 70 2.884 22.338 20.648 590 HG21 VAL 70 HG21 VAL 70 2.326 23.234 16.458 591 HG22 VAL 70 HG22 VAL 70 3.343 24.329 17.395 592 HG23 VAL 70 HG23 VAL 70 1.609 24.274 17.686 593 H LEU 71 HN LEU 71 5.851 21.433 19.773 594 HA LEU 71 HA LEU 71 5.226 18.732 20.668 595 HB2 LEU 71 HB2 LEU 71 7.457 20.648 21.458 596 HB3 LEU 71 HB1 LEU 71 7.302 18.994 22.031 597 HG LEU 71 HG LEU 71 7.797 19.817 19.137 598 HD11 LEU 71 HD11 LEU 71 9.763 20.138 20.590 599 HD12 LEU 71 HD12 LEU 71 10.021 18.833 19.436 600 HD13 LEU 71 HD13 LEU 71 9.651 18.458 21.121 601 HD21 LEU 71 HD21 LEU 71 8.079 17.398 18.678 602 HD22 LEU 71 HD22 LEU 71 6.444 17.758 19.223 603 HD23 LEU 71 HD23 LEU 71 7.595 17.019 20.336 604 H ARG 72 HN ARG 72 4.775 18.170 22.818 605 HA ARG 72 HA ARG 72 3.477 20.284 24.454 606 HB2 ARG 72 HB2 ARG 72 2.485 17.427 24.207 607 HB3 ARG 72 HB1 ARG 72 1.645 18.801 24.922 608 HG2 ARG 72 HG2 ARG 72 1.394 19.801 22.653 609 HG3 ARG 72 HG1 ARG 72 2.227 18.408 21.962 610 HD2 ARG 72 HD2 ARG 72 0.387 17.009 23.169 611 HD3 ARG 72 HD1 ARG 72 -0.501 18.531 23.232 612 HE ARG 72 HE ARG 72 0.469 17.617 20.623 613 HH11 ARG 72 HH11 ARG 72 -2.271 18.147 22.737 614 HH12 ARG 72 HH12 ARG 72 -3.436 17.623 21.561 615 HH21 ARG 72 HH21 ARG 72 -1.078 16.902 19.094 616 HH22 ARG 72 HH22 ARG 72 -2.764 16.927 19.506 617 H LEU 73 HN LEU 73 4.959 17.071 24.445 618 HA LEU 73 HA LEU 73 6.012 15.770 25.932 619 HB2 LEU 73 HB2 LEU 73 6.951 18.511 26.798 620 HB3 LEU 73 HB1 LEU 73 7.489 17.095 27.677 621 HG LEU 73 HG LEU 73 9.211 17.709 26.084 622 HD11 LEU 73 HD11 LEU 73 7.809 15.215 25.075 623 HD12 LEU 73 HD12 LEU 73 8.908 15.311 26.451 624 HD13 LEU 73 HD13 LEU 73 9.508 15.638 24.830 625 HD21 LEU 73 HD21 LEU 73 8.879 17.809 23.658 626 HD22 LEU 73 HD22 LEU 73 7.859 18.984 24.481 627 HD23 LEU 73 HD23 LEU 73 7.151 17.492 23.862 628 H ARG 74 HN ARG 74 3.344 16.027 26.458 629 HA ARG 74 HA ARG 74 2.687 16.577 29.180 630 HB2 ARG 74 HB2 ARG 74 1.220 14.875 27.122 631 HB3 ARG 74 HB1 ARG 74 0.528 15.445 28.634 632 HG2 ARG 74 HG2 ARG 74 1.516 17.293 26.444 633 HG3 ARG 74 HG1 ARG 74 -0.154 16.737 26.574 634 HD2 ARG 74 HD2 ARG 74 1.317 18.301 28.735 635 HD3 ARG 74 HD1 ARG 74 0.219 19.011 27.547 636 HE ARG 74 HE ARG 74 -1.514 17.449 28.517 637 HH11 ARG 74 HH11 ARG 74 1.110 18.639 30.527 638 HH12 ARG 74 HH12 ARG 74 0.189 18.518 31.992 639 HH21 ARG 74 HH21 ARG 74 -2.699 17.299 30.445 640 HH22 ARG 74 HH22 ARG 74 -1.962 17.771 31.946 641 H GLY 75 HN GLY 75 2.859 13.478 27.433 642 HA2 GLY 75 HA2 GLY 75 3.497 11.994 29.909 643 HA3 GLY 75 HA1 GLY 75 2.798 11.320 28.444 644 H GLY 76 HN GLY 76 5.338 13.521 27.785 645 HA2 GLY 76 HA2 GLY 76 7.593 13.313 27.315 646 HA3 GLY 76 HA1 GLY 76 7.585 11.721 28.055 647 H1 GLY 195 HN GLY 195 15.090 16.386 23.827 648 HA2 GLY 195 HA2 GLY 195 13.247 15.451 25.000 649 HA3 GLY 195 HA1 GLY 195 14.316 15.011 26.324 650 H SER 196 HN SER 196 12.312 16.099 27.380 651 HA SER 196 HA SER 196 12.256 18.990 27.405 652 HB2 SER 196 HB2 SER 196 10.517 18.616 29.219 653 HB3 SER 196 HB1 SER 196 10.162 17.814 27.689 654 HG SER 196 HG SER 196 10.984 16.709 30.137 655 H ARG 197 HN ARG 197 14.538 19.227 27.926 656 HA ARG 197 HA ARG 197 15.322 18.750 30.742 657 HB2 ARG 197 HB2 ARG 197 17.065 19.524 28.353 658 HB3 ARG 197 HB1 ARG 197 17.640 19.122 29.968 659 HG2 ARG 197 HG2 ARG 197 16.357 17.242 27.958 660 HG3 ARG 197 HG1 ARG 197 18.029 17.228 28.522 661 HD2 ARG 197 HD2 ARG 197 15.535 16.492 30.095 662 HD3 ARG 197 HD1 ARG 197 16.853 15.423 29.612 663 HE ARG 197 HE ARG 197 17.960 17.429 31.195 664 HH11 ARG 197 HH11 ARG 197 15.747 14.736 31.626 665 HH12 ARG 197 HH12 ARG 197 16.065 14.605 33.323 666 HH21 ARG 197 HH21 ARG 197 18.344 17.250 33.404 667 HH22 ARG 197 HH22 ARG 197 17.529 16.031 34.328 668 H GLN 198 HN GLN 198 13.623 21.007 29.399 669 HA GLN 198 HA GLN 198 14.610 23.295 30.857 670 HB2 GLN 198 HB2 GLN 198 15.005 24.730 28.831 671 HB3 GLN 198 HB1 GLN 198 16.150 23.395 28.916 672 HG2 GLN 198 HG2 GLN 198 14.854 22.143 27.236 673 HG3 GLN 198 HG1 GLN 198 13.661 23.440 27.170 674 HE21 GLN 198 HE21 GLN 198 13.998 23.698 24.947 675 HE22 GLN 198 HE22 GLN 198 15.416 24.443 24.296 676 H VAL 199 HN VAL 199 13.153 25.230 30.451 677 HA VAL 199 HA VAL 199 10.517 24.528 29.343 678 HB VAL 199 HB VAL 199 10.329 25.665 31.461 679 HG11 VAL 199 HG11 VAL 199 12.010 27.955 30.374 680 HG12 VAL 199 HG12 VAL 199 12.485 26.800 31.619 681 HG13 VAL 199 HG13 VAL 199 11.175 27.936 31.932 682 HG21 VAL 199 HG21 VAL 199 9.584 27.620 29.240 683 HG22 VAL 199 HG22 VAL 199 8.896 27.585 30.865 684 HG23 VAL 199 HG23 VAL 199 8.628 26.233 29.771 685 H THR 200 HN THR 200 10.873 24.434 27.212 686 HA THR 200 HA THR 200 12.640 26.033 25.683 687 HB THR 200 HB THR 200 10.269 24.430 24.603 688 HG1 THR 200 HG1 THR 200 11.293 22.637 25.083 689 HG21 THR 200 HG21 THR 200 11.508 25.777 22.919 690 HG22 THR 200 HG22 THR 200 11.732 24.049 22.651 691 HG23 THR 200 HG23 THR 200 13.016 24.997 23.405 692 H LYS 201 HN LYS 201 12.305 28.066 24.782 693 HA LYS 201 HA LYS 201 9.569 29.142 24.584 694 HB2 LYS 201 HB2 LYS 201 12.300 30.447 24.368 695 HB3 LYS 201 HB1 LYS 201 10.885 31.253 23.709 696 HG2 LYS 201 HG2 LYS 201 11.258 32.142 25.905 697 HG3 LYS 201 HG1 LYS 201 9.807 31.141 25.974 698 HD2 LYS 201 HD2 LYS 201 11.130 30.733 27.962 699 HD3 LYS 201 HD1 LYS 201 11.180 29.287 26.953 700 HE2 LYS 201 HE2 LYS 201 13.414 29.957 26.110 701 HE3 LYS 201 HE1 LYS 201 13.366 31.398 27.130 702 HZ1 LYS 201 HZ1 LYS 201 13.382 28.576 28.054 703 HZ2 LYS 201 HZ2 LYS 201 13.225 29.920 29.067 704 HZ3 LYS 201 HZ3 LYS 201 14.647 29.692 28.188 705 H VAL 202 HN VAL 202 8.511 29.098 22.793 706 HA VAL 202 HA VAL 202 9.725 28.620 20.171 707 HB VAL 202 HB VAL 202 7.881 26.824 19.821 708 HG11 VAL 202 HG11 VAL 202 9.246 24.993 20.777 709 HG12 VAL 202 HG12 VAL 202 10.164 26.169 21.721 710 HG13 VAL 202 HG13 VAL 202 10.243 26.200 19.958 711 HG21 VAL 202 HG21 VAL 202 7.067 25.637 21.832 712 HG22 VAL 202 HG22 VAL 202 6.541 27.317 21.839 713 HG23 VAL 202 HG23 VAL 202 7.878 26.815 22.872 714 H ASP 203 HN ASP 203 8.329 29.105 18.425 715 HA ASP 203 HA ASP 203 6.669 31.416 18.948 716 HB2 ASP 203 HB2 ASP 203 7.468 30.097 16.311 717 HB3 ASP 203 HB1 ASP 203 6.525 31.584 16.434 718 H CYS 204 HN CYS 204 4.519 31.679 18.408 719 HA CYS 204 HA CYS 204 2.832 29.304 18.502 720 HB2 CYS 204 HB2 CYS 204 2.498 31.315 20.014 721 HB3 CYS 204 HB1 CYS 204 2.041 32.240 18.603 722 HA PRO 205 HA PRO 205 3.359 29.832 14.020 723 HB2 PRO 205 HB2 PRO 205 2.335 27.448 13.149 724 HB3 PRO 205 HB1 PRO 205 3.889 27.572 13.985 725 HG2 PRO 205 HG2 PRO 205 1.178 26.882 15.138 726 HG3 PRO 205 HG1 PRO 205 2.723 26.017 15.331 727 HD2 PRO 205 HD2 PRO 205 1.840 27.715 17.226 728 HD3 PRO 205 HD1 PRO 205 3.569 27.611 16.834 729 H VAL 206 HN VAL 206 0.450 30.272 15.485 730 HA VAL 206 HA VAL 206 -1.051 30.570 12.956 731 HB VAL 206 HB VAL 206 -2.149 30.841 15.792 732 HG11 VAL 206 HG11 VAL 206 -3.569 30.557 13.110 733 HG12 VAL 206 HG12 VAL 206 -3.474 32.016 14.100 734 HG13 VAL 206 HG13 VAL 206 -4.359 30.612 14.689 735 HG21 VAL 206 HG21 VAL 206 -2.272 28.392 13.977 736 HG22 VAL 206 HG22 VAL 206 -3.095 28.564 15.529 737 HG23 VAL 206 HG23 VAL 206 -1.334 28.535 15.463 738 H CYS 207 HN CYS 207 -0.107 32.402 15.903 739 HA CYS 207 HA CYS 207 -0.994 34.928 14.623 740 HB2 CYS 207 HB2 CYS 207 -1.344 35.849 16.821 741 HB3 CYS 207 HB1 CYS 207 -2.112 34.266 16.790 742 H GLY 208 HN GLY 208 1.818 33.239 15.454 743 HA2 GLY 208 HA2 GLY 208 4.008 33.700 15.017 744 HA3 GLY 208 HA1 GLY 208 3.497 35.237 14.352 745 H VAL 209 HN VAL 209 3.160 34.081 17.726 746 HA VAL 209 HA VAL 209 5.100 36.164 18.603 747 HB VAL 209 HB VAL 209 3.863 36.429 20.712 748 HG11 VAL 209 HG11 VAL 209 1.842 37.565 19.853 749 HG12 VAL 209 HG12 VAL 209 2.013 36.714 18.316 750 HG13 VAL 209 HG13 VAL 209 3.240 37.879 18.819 751 HG21 VAL 209 HG21 VAL 209 1.803 34.455 19.629 752 HG22 VAL 209 HG22 VAL 209 1.648 35.388 21.120 753 HG23 VAL 209 HG23 VAL 209 2.904 34.159 20.976 754 H ASN 210 HN ASN 210 6.798 35.491 19.849 755 HA ASN 210 HA ASN 210 7.114 32.630 20.329 756 HB2 ASN 210 HB2 ASN 210 9.003 33.919 19.341 757 HB3 ASN 210 HB1 ASN 210 9.120 34.877 20.818 758 HD21 ASN 210 HD21 ASN 210 9.581 31.679 19.430 759 HD22 ASN 210 HD22 ASN 210 10.607 31.075 20.688 760 H ILE 211 HN ILE 211 6.952 31.673 22.229 761 HA ILE 211 HA ILE 211 6.616 33.043 24.802 762 HB ILE 211 HB ILE 211 4.330 31.774 25.054 763 HG12 ILE 211 HG12 ILE 211 4.610 31.715 22.007 764 HG13 ILE 211 HG11 ILE 211 4.495 30.321 23.074 765 HG21 ILE 211 HG21 ILE 211 3.000 33.622 24.094 766 HG22 ILE 211 HG22 ILE 211 4.401 34.161 23.167 767 HG23 ILE 211 HG23 ILE 211 4.429 34.237 24.928 768 HD11 ILE 211 HD11 ILE 211 2.320 32.325 22.504 769 HD12 ILE 211 HD12 ILE 211 2.188 30.951 23.610 770 HD13 ILE 211 HD13 ILE 211 2.441 30.676 21.882 771 HA PRO 212 HA PRO 212 8.255 29.059 26.347 772 HB2 PRO 212 HB2 PRO 212 6.641 28.605 28.598 773 HB3 PRO 212 HB1 PRO 212 8.066 29.649 28.573 774 HG2 PRO 212 HG2 PRO 212 5.162 30.402 28.299 775 HG3 PRO 212 HG1 PRO 212 6.448 31.195 29.238 776 HD2 PRO 212 HD2 PRO 212 5.659 32.199 26.876 777 HD3 PRO 212 HD1 PRO 212 7.375 32.225 27.336 778 H GLU 213 HN GLU 213 7.669 26.768 26.549 779 HA GLU 213 HA GLU 213 5.952 26.027 24.425 780 HB2 GLU 213 HB2 GLU 213 8.125 24.892 25.141 781 HB3 GLU 213 HB1 GLU 213 7.213 24.137 26.443 782 HG2 GLU 213 HG2 GLU 213 5.717 23.109 24.677 783 HG3 GLU 213 HG1 GLU 213 6.814 23.737 23.456 784 H SER 214 HN SER 214 5.528 25.955 27.924 785 HA SER 214 HA SER 214 3.131 24.447 28.058 786 HB2 SER 214 HB2 SER 214 2.823 25.676 30.252 787 HB3 SER 214 HB1 SER 214 4.417 24.942 30.072 788 HG SER 214 HG SER 214 4.427 27.153 30.854 789 H HIS 215 HN HIS 215 3.747 27.938 27.803 790 HA HIS 215 HA HIS 215 0.977 28.656 27.464 791 HB2 HIS 215 HB2 HIS 215 3.573 30.218 27.408 792 HB3 HIS 215 HB1 HIS 215 2.069 30.973 26.891 793 HD1 HIS 215 HD1 HIS 215 3.884 29.859 29.941 794 HD2 HIS 215 HD2 HIS 215 0.150 31.372 28.934 795 HE1 HIS 215 HE1 HIS 215 2.829 30.559 32.104 796 HE2 HIS 215 HE2 HIS 215 0.511 31.295 31.486 797 H ILE 216 HN ILE 216 3.357 27.456 25.288 798 HA ILE 216 HA ILE 216 2.289 28.772 22.981 799 HB ILE 216 HB ILE 216 4.665 27.580 23.135 800 HG12 ILE 216 HG12 ILE 216 3.772 28.895 21.170 801 HG13 ILE 216 HG11 ILE 216 4.846 27.587 20.706 802 HG21 ILE 216 HG21 ILE 216 3.895 25.270 23.506 803 HG22 ILE 216 HG22 ILE 216 4.803 25.388 22.005 804 HG23 ILE 216 HG23 ILE 216 3.043 25.283 21.968 805 HD11 ILE 216 HD11 ILE 216 1.839 27.645 20.450 806 HD12 ILE 216 HD12 ILE 216 2.831 26.221 20.130 807 HD13 ILE 216 HD13 ILE 216 3.045 27.676 19.165 808 H ASN 217 HN ASN 217 1.867 25.485 24.420 809 HA ASN 217 HA ASN 217 -0.110 24.662 22.550 810 HB2 ASN 217 HB2 ASN 217 0.497 23.655 25.358 811 HB3 ASN 217 HB1 ASN 217 -0.698 22.902 24.300 812 HD21 ASN 217 HD21 ASN 217 2.683 23.310 24.937 813 HD22 ASN 217 HD22 ASN 217 3.253 22.227 23.716 814 H LYS 218 HN LYS 218 -0.352 26.476 25.557 815 HA LYS 218 HA LYS 218 -3.173 26.505 25.839 816 HB2 LYS 218 HB2 LYS 218 -1.658 27.151 27.645 817 HB3 LYS 218 HB1 LYS 218 -1.026 28.491 26.694 818 HG2 LYS 218 HG2 LYS 218 -3.276 29.578 26.784 819 HG3 LYS 218 HG1 LYS 218 -3.843 28.249 27.804 820 HD2 LYS 218 HD2 LYS 218 -2.224 28.847 29.549 821 HD3 LYS 218 HD1 LYS 218 -1.536 30.110 28.522 822 HE2 LYS 218 HE2 LYS 218 -3.011 31.081 30.196 823 HE3 LYS 218 HE1 LYS 218 -3.686 31.313 28.584 824 HZ1 LYS 218 HZ1 LYS 218 -5.185 29.476 28.982 825 HZ2 LYS 218 HZ2 LYS 218 -5.351 30.632 30.199 826 HZ3 LYS 218 HZ3 LYS 218 -4.504 29.208 30.505 827 H HIS 219 HN HIS 219 -1.046 29.113 24.606 828 HA HIS 219 HA HIS 219 -2.967 30.888 23.654 829 HB2 HIS 219 HB2 HIS 219 -0.214 30.937 23.772 830 HB3 HIS 219 HB1 HIS 219 -0.412 30.729 22.042 831 HD2 HIS 219 HD2 HIS 219 -1.601 33.251 24.824 832 HE1 HIS 219 HE1 HIS 219 -0.906 35.374 21.256 833 HE2 HIS 219 HE2 HIS 219 -1.631 35.538 23.654 834 H LEU 220 HN LEU 220 -1.335 28.239 22.094 835 HA LEU 220 HA LEU 220 -2.139 28.541 19.440 836 HB2 LEU 220 HB2 LEU 220 -0.245 27.172 20.277 837 HB3 LEU 220 HB1 LEU 220 -1.396 26.055 20.994 838 HG LEU 220 HG LEU 220 -2.280 25.657 18.621 839 HD11 LEU 220 HD11 LEU 220 -1.363 27.651 17.546 840 HD12 LEU 220 HD12 LEU 220 -0.725 26.206 16.775 841 HD13 LEU 220 HD13 LEU 220 0.283 27.115 17.893 842 HD21 LEU 220 HD21 LEU 220 -0.899 24.055 19.871 843 HD22 LEU 220 HD22 LEU 220 0.570 24.849 19.287 844 HD23 LEU 220 HD23 LEU 220 -0.508 24.035 18.158 845 H ASP 221 HN ASP 221 -3.435 26.562 22.124 846 HA ASP 221 HA ASP 221 -5.369 25.102 20.732 847 HB2 ASP 221 HB2 ASP 221 -4.680 24.651 23.095 848 HB3 ASP 221 HB1 ASP 221 -5.547 26.091 23.617 849 H SER 222 HN SER 222 -5.469 28.352 22.059 850 HA SER 222 HA SER 222 -8.249 28.853 21.374 851 HB2 SER 222 HB2 SER 222 -7.152 29.979 23.296 852 HB3 SER 222 HB1 SER 222 -6.043 30.793 22.193 853 HG SER 222 HG SER 222 -8.847 31.052 21.884 854 H CYS 223 HN CYS 223 -5.078 29.439 19.936 855 HA CYS 223 HA CYS 223 -5.904 31.394 18.023 856 HB2 CYS 223 HB2 CYS 223 -3.311 29.871 18.433 857 HB3 CYS 223 HB1 CYS 223 -3.524 31.040 17.137 858 H LEU 224 HN LEU 224 -5.611 27.880 17.929 859 HA LEU 224 HA LEU 224 -5.101 27.686 15.094 860 HB2 LEU 224 HB2 LEU 224 -5.178 25.219 15.444 861 HB3 LEU 224 HB1 LEU 224 -4.077 26.057 16.524 862 HG LEU 224 HG LEU 224 -5.910 25.867 18.327 863 HD11 LEU 224 HD11 LEU 224 -7.484 23.992 18.165 864 HD12 LEU 224 HD12 LEU 224 -7.054 23.774 16.466 865 HD13 LEU 224 HD13 LEU 224 -7.844 25.259 16.996 866 HD21 LEU 224 HD21 LEU 224 -4.562 23.337 17.339 867 HD22 LEU 224 HD22 LEU 224 -5.187 23.614 18.968 868 HD23 LEU 224 HD23 LEU 224 -3.838 24.576 18.373 869 H SER 225 HN SER 225 -7.878 28.153 16.899 870 HA SER 225 HA SER 225 -9.800 26.892 15.216 871 HB2 SER 225 HB2 SER 225 -10.097 29.239 17.140 872 HB3 SER 225 HB1 SER 225 -11.423 28.289 16.466 873 HG SER 225 HG SER 225 -10.129 26.448 17.485 874 H ARG 226 HN ARG 226 -9.149 27.463 13.112 875 HA ARG 226 HA ARG 226 -9.685 30.246 12.244 876 HB2 ARG 226 HB2 ARG 226 -7.282 29.911 12.078 877 HB3 ARG 226 HB1 ARG 226 -7.495 28.351 11.287 878 HG2 ARG 226 HG2 ARG 226 -8.425 29.476 9.294 879 HG3 ARG 226 HG1 ARG 226 -8.262 31.042 10.089 880 HD2 ARG 226 HD2 ARG 226 -5.840 30.846 10.091 881 HD3 ARG 226 HD1 ARG 226 -5.935 29.194 9.482 882 HE ARG 226 HE ARG 226 -6.435 29.980 7.364 883 HH11 ARG 226 HH11 ARG 226 -6.273 32.734 9.549 884 HH12 ARG 226 HH12 ARG 226 -6.131 33.883 8.258 885 HH21 ARG 226 HH21 ARG 226 -6.262 31.488 5.711 886 HH22 ARG 226 HH22 ARG 226 -6.127 33.178 6.089 887 H GLU 227 HN GLU 227 -11.317 30.373 10.890 888 HA GLU 227 HA GLU 227 -12.389 27.972 9.557 889 HB2 GLU 227 HB2 GLU 227 -14.398 29.475 9.122 890 HB3 GLU 227 HB1 GLU 227 -14.052 29.124 10.811 891 HG2 GLU 227 HG2 GLU 227 -12.914 31.379 10.970 892 HG3 GLU 227 HG1 GLU 227 -13.481 31.719 9.337 Start of MODEL 11 1 H1 GLY -2 HT1 GLY -2 -3.302 6.755 -5.431 2 H2 GLY -2 HT2 GLY -2 -2.750 6.626 -3.845 3 H3 GLY -2 HT3 GLY -2 -3.971 5.599 -4.397 4 HA2 GLY -2 HA1 GLY -2 -1.930 4.396 -4.301 5 HA3 GLY -2 HA2 GLY -2 -2.445 4.597 -5.970 6 H SER -1 HN SER -1 -0.586 6.422 -3.529 7 HA SER -1 HA SER -1 1.823 6.527 -5.161 8 HB2 SER -1 HB2 SER -1 0.379 9.089 -4.321 9 HB3 SER -1 HB1 SER -1 1.995 9.023 -5.023 10 HG SER -1 HG SER -1 0.648 7.781 -6.763 11 H HIS 0 HN HIS 0 3.584 7.770 -3.866 12 HA HIS 0 HA HIS 0 3.018 8.477 -1.100 13 HB2 HIS 0 HB2 HIS 0 5.104 6.357 -1.777 14 HB3 HIS 0 HB1 HIS 0 5.209 7.319 -0.307 15 HD1 HIS 0 HD1 HIS 0 3.681 4.294 -1.682 16 HD2 HIS 0 HD2 HIS 0 2.902 6.890 1.464 17 HE1 HIS 0 HE1 HIS 0 2.104 3.071 -0.167 18 HE2 HIS 0 HE2 HIS 0 1.498 4.744 1.613 19 H MET 1 HN MET 1 3.773 10.472 -0.976 20 HA MET 1 HA MET 1 6.075 11.360 -2.618 21 HB2 MET 1 HB2 MET 1 3.580 12.984 -1.974 22 HB3 MET 1 HB1 MET 1 4.922 13.481 -2.995 23 HG2 MET 1 HG2 MET 1 2.941 11.281 -3.604 24 HG3 MET 1 HG1 MET 1 3.012 12.879 -4.356 25 HE1 MET 1 HE1 MET 1 3.103 11.866 -6.822 26 HE2 MET 1 HE2 MET 1 2.915 10.263 -6.107 27 HE3 MET 1 HE3 MET 1 4.193 10.561 -7.285 28 H GLN 2 HN GLN 2 7.132 13.286 -1.769 29 HA GLN 2 HA GLN 2 7.412 13.145 1.121 30 HB2 GLN 2 HB2 GLN 2 9.148 14.387 -1.030 31 HB3 GLN 2 HB1 GLN 2 9.431 14.688 0.680 32 HG2 GLN 2 HG2 GLN 2 10.896 12.955 0.271 33 HG3 GLN 2 HG1 GLN 2 9.512 12.083 0.898 34 HE21 GLN 2 HE21 GLN 2 11.678 11.101 -0.723 35 HE22 GLN 2 HE22 GLN 2 10.988 10.466 -2.168 36 H ILE 3 HN ILE 3 6.815 14.631 2.497 37 HA ILE 3 HA ILE 3 6.208 17.402 1.650 38 HB ILE 3 HB ILE 3 4.427 17.516 3.471 39 HG12 ILE 3 HG12 ILE 3 5.159 15.319 4.632 40 HG13 ILE 3 HG11 ILE 3 3.429 15.576 4.465 41 HG21 ILE 3 HG21 ILE 3 2.614 16.541 2.107 42 HG22 ILE 3 HG22 ILE 3 3.809 15.684 1.134 43 HG23 ILE 3 HG23 ILE 3 3.773 17.448 1.134 44 HD11 ILE 3 HD11 ILE 3 5.091 13.799 2.673 45 HD12 ILE 3 HD12 ILE 3 3.338 14.006 2.605 46 HD13 ILE 3 HD13 ILE 3 4.087 13.257 4.015 47 H PHE 4 HN PHE 4 6.372 18.929 3.466 48 HA PHE 4 HA PHE 4 8.614 18.160 5.261 49 HB2 PHE 4 HB2 PHE 4 8.155 20.863 3.898 50 HB3 PHE 4 HB1 PHE 4 9.508 20.442 4.950 51 HD1 PHE 4 HD2 PHE 4 11.033 18.469 4.202 52 HD2 PHE 4 HD1 PHE 4 8.340 20.475 1.546 53 HE1 PHE 4 HE2 PHE 4 12.277 17.596 2.273 54 HE2 PHE 4 HE1 PHE 4 9.585 19.584 -0.376 55 HZ PHE 4 HZ PHE 4 11.555 18.150 -0.016 56 H VAL 5 HN VAL 5 8.046 18.230 7.289 57 HA VAL 5 HA VAL 5 6.076 20.196 8.304 58 HB VAL 5 HB VAL 5 7.044 17.562 9.563 59 HG11 VAL 5 HG11 VAL 5 4.872 19.470 10.507 60 HG12 VAL 5 HG12 VAL 5 6.441 19.216 11.268 61 HG13 VAL 5 HG13 VAL 5 5.265 17.906 11.235 62 HG21 VAL 5 HG21 VAL 5 4.800 16.684 9.081 63 HG22 VAL 5 HG22 VAL 5 5.584 17.203 7.592 64 HG23 VAL 5 HG23 VAL 5 4.338 18.210 8.322 65 H LYS 6 HN LYS 6 6.883 21.733 9.728 66 HA LYS 6 HA LYS 6 9.779 21.634 10.373 67 HB2 LYS 6 HB2 LYS 6 8.882 23.349 8.592 68 HB3 LYS 6 HB1 LYS 6 8.157 24.186 9.965 69 HG2 LYS 6 HG2 LYS 6 10.182 25.315 9.727 70 HG3 LYS 6 HG1 LYS 6 10.573 24.119 10.968 71 HD2 LYS 6 HD2 LYS 6 11.535 22.644 9.166 72 HD3 LYS 6 HD1 LYS 6 11.246 23.945 8.007 73 HE2 LYS 6 HE2 LYS 6 12.704 25.428 9.465 74 HE3 LYS 6 HE1 LYS 6 13.112 23.985 10.393 75 HZ1 LYS 6 HZ1 LYS 6 14.059 23.008 8.444 76 HZ2 LYS 6 HZ2 LYS 6 14.766 24.514 8.709 77 HZ3 LYS 6 HZ3 LYS 6 13.606 24.328 7.496 78 H THR 7 HN THR 7 10.073 21.430 12.577 79 HA THR 7 HA THR 7 7.993 21.906 14.483 80 HB THR 7 HB THR 7 9.796 21.554 16.225 81 HG1 THR 7 HG1 THR 7 11.859 20.968 15.470 82 HG21 THR 7 HG21 THR 7 9.646 19.461 14.048 83 HG22 THR 7 HG22 THR 7 8.550 19.623 15.418 84 HG23 THR 7 HG23 THR 7 10.240 19.178 15.681 85 H LEU 8 HN LEU 8 8.232 23.281 16.369 86 HA LEU 8 HA LEU 8 8.754 26.029 15.822 87 HB2 LEU 8 HB2 LEU 8 8.415 24.668 18.519 88 HB3 LEU 8 HB1 LEU 8 8.240 26.383 18.189 89 HG LEU 8 HG LEU 8 6.384 24.158 17.292 90 HD11 LEU 8 HD11 LEU 8 4.721 25.282 18.714 91 HD12 LEU 8 HD12 LEU 8 5.924 26.481 19.195 92 HD13 LEU 8 HD13 LEU 8 6.132 24.788 19.653 93 HD21 LEU 8 HD21 LEU 8 6.208 27.113 16.613 94 HD22 LEU 8 HD22 LEU 8 4.966 25.905 16.275 95 HD23 LEU 8 HD23 LEU 8 6.533 25.798 15.478 96 H THR 9 HN THR 9 10.725 23.413 17.015 97 HA THR 9 HA THR 9 12.839 25.050 18.132 98 HB THR 9 HB THR 9 14.118 22.857 18.207 99 HG1 THR 9 HG1 THR 9 12.974 20.972 17.656 100 HG21 THR 9 HG21 THR 9 11.334 22.770 19.443 101 HG22 THR 9 HG22 THR 9 12.752 23.547 20.149 102 HG23 THR 9 HG23 THR 9 12.716 21.796 19.949 103 H GLY 10 HN GLY 10 11.933 23.977 14.972 104 HA2 GLY 10 HA2 GLY 10 12.673 25.199 13.088 105 HA3 GLY 10 HA1 GLY 10 14.211 25.492 13.872 106 H LYS 11 HN LYS 11 12.984 22.239 13.919 107 HA LYS 11 HA LYS 11 15.004 21.405 11.940 108 HB2 LYS 11 HB2 LYS 11 15.014 19.283 12.892 109 HB3 LYS 11 HB1 LYS 11 14.615 20.253 14.302 110 HG2 LYS 11 HG2 LYS 11 12.245 19.666 14.061 111 HG3 LYS 11 HG1 LYS 11 12.605 18.785 12.577 112 HD2 LYS 11 HD2 LYS 11 13.763 18.021 15.285 113 HD3 LYS 11 HD1 LYS 11 12.232 17.385 14.682 114 HE2 LYS 11 HE2 LYS 11 13.932 15.752 14.206 115 HE3 LYS 11 HE1 LYS 11 13.466 16.488 12.674 116 HZ1 LYS 11 HZ1 LYS 11 15.887 17.207 14.251 117 HZ2 LYS 11 HZ2 LYS 11 15.466 17.819 12.730 118 HZ3 LYS 11 HZ3 LYS 11 15.867 16.188 12.899 119 H THR 12 HN THR 12 14.439 20.079 10.134 120 HA THR 12 HA THR 12 11.644 20.264 9.195 121 HB THR 12 HB THR 12 14.140 19.427 7.663 122 HG1 THR 12 HG1 THR 12 14.286 21.482 6.959 123 HG21 THR 12 HG21 THR 12 12.053 18.594 6.616 124 HG22 THR 12 HG22 THR 12 12.780 19.863 5.631 125 HG23 THR 12 HG23 THR 12 11.380 20.224 6.643 126 H ILE 13 HN ILE 13 10.484 18.434 8.664 127 HA ILE 13 HA ILE 13 11.568 15.719 9.224 128 HB ILE 13 HB ILE 13 8.764 16.719 9.977 129 HG12 ILE 13 HG12 ILE 13 9.821 15.902 12.385 130 HG13 ILE 13 HG11 ILE 13 11.291 16.453 11.602 131 HG21 ILE 13 HG21 ILE 13 8.440 14.512 11.025 132 HG22 ILE 13 HG22 ILE 13 10.023 14.002 10.436 133 HG23 ILE 13 HG23 ILE 13 8.737 14.377 9.290 134 HD11 ILE 13 HD11 ILE 13 8.809 18.097 12.063 135 HD12 ILE 13 HD12 ILE 13 10.268 18.656 11.234 136 HD13 ILE 13 HD13 ILE 13 10.337 18.202 12.936 137 H THR 14 HN THR 14 11.528 14.649 7.321 138 HA THR 14 HA THR 14 9.593 15.348 5.204 139 HB THR 14 HB THR 14 12.176 13.725 5.077 140 HG1 THR 14 HG1 THR 14 11.529 16.427 4.733 141 HG21 THR 14 HG21 THR 14 10.358 14.675 2.817 142 HG22 THR 14 HG22 THR 14 10.604 12.999 3.308 143 HG23 THR 14 HG23 THR 14 11.939 13.907 2.602 144 H LEU 15 HN LEU 15 7.865 14.049 4.908 145 HA LEU 15 HA LEU 15 7.893 11.223 5.868 146 HB2 LEU 15 HB2 LEU 15 5.359 12.824 5.330 147 HB3 LEU 15 HB1 LEU 15 5.520 11.323 6.208 148 HG LEU 15 HG LEU 15 5.040 12.942 7.858 149 HD11 LEU 15 HD11 LEU 15 8.056 12.674 7.965 150 HD12 LEU 15 HD12 LEU 15 6.897 11.464 8.509 151 HD13 LEU 15 HD13 LEU 15 6.969 13.026 9.313 152 HD21 LEU 15 HD21 LEU 15 5.387 14.970 6.559 153 HD22 LEU 15 HD22 LEU 15 7.139 14.774 6.659 154 HD23 LEU 15 HD23 LEU 15 6.199 15.091 8.118 155 H GLU 16 HN GLU 16 6.821 9.664 4.478 156 HA GLU 16 HA GLU 16 6.744 10.462 1.607 157 HB2 GLU 16 HB2 GLU 16 7.448 7.674 2.650 158 HB3 GLU 16 HB1 GLU 16 7.536 8.243 0.991 159 HG2 GLU 16 HG2 GLU 16 9.774 8.142 1.724 160 HG3 GLU 16 HG1 GLU 16 9.361 9.857 1.778 161 H VAL 17 HN VAL 17 4.453 10.976 1.987 162 HA VAL 17 HA VAL 17 2.673 8.614 1.816 163 HB VAL 17 HB VAL 17 1.029 9.491 3.393 164 HG11 VAL 17 HG11 VAL 17 2.739 8.044 4.391 165 HG12 VAL 17 HG12 VAL 17 2.166 9.243 5.551 166 HG13 VAL 17 HG13 VAL 17 3.734 9.454 4.768 167 HG21 VAL 17 HG21 VAL 17 1.343 11.885 3.051 168 HG22 VAL 17 HG22 VAL 17 2.902 11.831 3.874 169 HG23 VAL 17 HG23 VAL 17 1.419 11.513 4.775 170 H GLU 18 HN GLU 18 0.299 9.618 1.512 171 HA GLU 18 HA GLU 18 0.505 11.031 -1.060 172 HB2 GLU 18 HB2 GLU 18 -2.099 9.889 0.023 173 HB3 GLU 18 HB1 GLU 18 -1.511 9.950 -1.638 174 HG2 GLU 18 HG2 GLU 18 0.132 8.190 -1.116 175 HG3 GLU 18 HG1 GLU 18 -0.477 8.130 0.529 176 HA PRO 19 HA PRO 19 -1.705 14.709 0.601 177 HB2 PRO 19 HB2 PRO 19 -3.298 15.315 -1.614 178 HB3 PRO 19 HB1 PRO 19 -1.623 15.839 -1.422 179 HG2 PRO 19 HG2 PRO 19 -2.708 13.503 -2.969 180 HG3 PRO 19 HG1 PRO 19 -1.424 14.645 -3.417 181 HD2 PRO 19 HD2 PRO 19 -0.858 12.159 -2.509 182 HD3 PRO 19 HD1 PRO 19 0.180 13.546 -2.108 183 H SER 20 HN SER 20 -3.365 11.995 -0.996 184 HA SER 20 HA SER 20 -5.897 12.538 0.428 185 HB2 SER 20 HB2 SER 20 -5.887 12.009 -2.048 186 HB3 SER 20 HB1 SER 20 -5.292 10.402 -1.669 187 HG SER 20 HG SER 20 -7.307 10.328 -0.273 188 H ASP 21 HN ASP 21 -3.177 11.306 1.498 189 HA ASP 21 HA ASP 21 -3.731 8.652 2.340 190 HB2 ASP 21 HB2 ASP 21 -1.455 9.399 2.204 191 HB3 ASP 21 HB1 ASP 21 -1.768 10.775 3.248 192 H THR 22 HN THR 22 -3.047 10.893 4.959 193 HA THR 22 HA THR 22 -5.426 11.625 6.026 194 HB THR 22 HB THR 22 -6.216 9.335 6.291 195 HG1 THR 22 HG1 THR 22 -6.713 10.747 8.004 196 HG21 THR 22 HG21 THR 22 -3.758 8.718 7.963 197 HG22 THR 22 HG22 THR 22 -4.066 8.111 6.333 198 HG23 THR 22 HG23 THR 22 -5.117 7.638 7.673 199 H ILE 23 HN ILE 23 -5.056 12.811 7.845 200 HA ILE 23 HA ILE 23 -2.440 13.632 8.409 201 HB ILE 23 HB ILE 23 -4.980 14.105 10.038 202 HG12 ILE 23 HG12 ILE 23 -5.180 14.996 7.719 203 HG13 ILE 23 HG11 ILE 23 -5.157 16.297 8.897 204 HG21 ILE 23 HG21 ILE 23 -3.840 16.063 11.045 205 HG22 ILE 23 HG22 ILE 23 -2.348 15.626 10.209 206 HG23 ILE 23 HG23 ILE 23 -3.021 14.554 11.436 207 HD11 ILE 23 HD11 ILE 23 -2.822 15.442 7.188 208 HD12 ILE 23 HD12 ILE 23 -2.831 16.781 8.337 209 HD13 ILE 23 HD13 ILE 23 -3.861 16.840 6.908 210 H GLU 24 HN GLU 24 -4.588 11.327 10.039 211 HA GLU 24 HA GLU 24 -3.174 10.966 12.445 212 HB2 GLU 24 HB2 GLU 24 -5.469 10.130 12.076 213 HB3 GLU 24 HB1 GLU 24 -4.871 8.946 10.919 214 HG2 GLU 24 HG2 GLU 24 -5.402 8.006 13.189 215 HG3 GLU 24 HG1 GLU 24 -3.752 7.703 12.652 216 H ASN 25 HN ASN 25 -2.690 9.586 9.260 217 HA ASN 25 HA ASN 25 -0.680 7.672 10.076 218 HB2 ASN 25 HB2 ASN 25 -2.143 7.450 8.041 219 HB3 ASN 25 HB1 ASN 25 -1.263 8.755 7.295 220 HD21 ASN 25 HD21 ASN 25 0.706 8.367 6.381 221 HD22 ASN 25 HD22 ASN 25 1.443 6.804 6.302 222 H VAL 26 HN VAL 26 -0.752 10.853 8.547 223 HA VAL 26 HA VAL 26 1.969 11.222 7.976 224 HB VAL 26 HB VAL 26 -0.054 13.389 8.757 225 HG11 VAL 26 HG11 VAL 26 1.392 14.972 7.486 226 HG12 VAL 26 HG12 VAL 26 2.577 13.689 7.231 227 HG13 VAL 26 HG13 VAL 26 2.249 14.276 8.860 228 HG21 VAL 26 HG21 VAL 26 0.691 12.355 5.995 229 HG22 VAL 26 HG22 VAL 26 -0.452 13.652 6.347 230 HG23 VAL 26 HG23 VAL 26 -0.810 12.005 6.853 231 H LYS 27 HN LYS 27 0.132 11.915 10.933 232 HA LYS 27 HA LYS 27 2.263 13.211 12.327 233 HB2 LYS 27 HB2 LYS 27 0.786 13.316 14.204 234 HB3 LYS 27 HB1 LYS 27 -0.179 13.602 12.775 235 HG2 LYS 27 HG2 LYS 27 -1.021 11.278 12.891 236 HG3 LYS 27 HG1 LYS 27 -0.067 11.021 14.353 237 HD2 LYS 27 HD2 LYS 27 -2.390 11.483 14.946 238 HD3 LYS 27 HD1 LYS 27 -1.361 12.805 15.500 239 HE2 LYS 27 HE2 LYS 27 -2.041 14.152 13.542 240 HE3 LYS 27 HE1 LYS 27 -3.058 12.821 12.986 241 HZ1 LYS 27 HZ1 LYS 27 -4.355 14.473 14.157 242 HZ2 LYS 27 HZ2 LYS 27 -3.401 14.289 15.540 243 HZ3 LYS 27 HZ3 LYS 27 -4.361 13.008 15.003 244 H ALA 28 HN ALA 28 0.987 9.907 12.211 245 HA ALA 28 HA ALA 28 2.687 8.691 14.114 246 HB1 ALA 28 HB1 ALA 28 2.156 6.585 12.948 247 HB2 ALA 28 HB2 ALA 28 1.500 7.492 11.583 248 HB3 ALA 28 HB3 ALA 28 0.707 7.573 13.157 249 H LYS 29 HN LYS 29 3.202 9.670 10.761 250 HA LYS 29 HA LYS 29 5.705 8.328 10.398 251 HB2 LYS 29 HB2 LYS 29 4.627 10.716 8.853 252 HB3 LYS 29 HB1 LYS 29 5.988 9.723 8.374 253 HG2 LYS 29 HG2 LYS 29 3.061 8.987 8.386 254 HG3 LYS 29 HG1 LYS 29 4.131 9.160 7.004 255 HD2 LYS 29 HD2 LYS 29 4.248 6.880 7.089 256 HD3 LYS 29 HD1 LYS 29 5.416 7.144 8.383 257 HE2 LYS 29 HE2 LYS 29 3.582 6.925 10.050 258 HE3 LYS 29 HE1 LYS 29 2.436 6.648 8.737 259 HZ1 LYS 29 HZ1 LYS 29 4.753 4.929 9.413 260 HZ2 LYS 29 HZ2 LYS 29 3.678 4.659 8.136 261 HZ3 LYS 29 HZ3 LYS 29 3.133 4.580 9.735 262 H ILE 30 HN ILE 30 4.802 11.665 11.476 263 HA ILE 30 HA ILE 30 7.365 12.737 11.763 264 HB ILE 30 HB ILE 30 4.781 13.230 13.276 265 HG12 ILE 30 HG12 ILE 30 5.304 15.660 12.423 266 HG13 ILE 30 HG11 ILE 30 6.528 14.895 11.423 267 HG21 ILE 30 HG21 ILE 30 7.416 14.506 14.077 268 HG22 ILE 30 HG22 ILE 30 6.428 13.423 15.058 269 HG23 ILE 30 HG23 ILE 30 5.823 15.025 14.639 270 HD11 ILE 30 HD11 ILE 30 3.577 14.358 11.322 271 HD12 ILE 30 HD12 ILE 30 4.800 13.603 10.297 272 HD13 ILE 30 HD13 ILE 30 4.506 15.339 10.192 273 H GLN 31 HN GLN 31 5.553 10.637 14.011 274 HA GLN 31 HA GLN 31 7.554 10.424 16.021 275 HB2 GLN 31 HB2 GLN 31 5.181 9.818 16.393 276 HB3 GLN 31 HB1 GLN 31 5.339 8.458 15.286 277 HG2 GLN 31 HG2 GLN 31 6.933 7.372 16.803 278 HG3 GLN 31 HG1 GLN 31 6.885 8.762 17.884 279 HE21 GLN 31 HE21 GLN 31 3.992 7.422 16.327 280 HE22 GLN 31 HE22 GLN 31 3.282 6.842 17.790 281 H ASP 32 HN ASP 32 7.075 8.734 12.972 282 HA ASP 32 HA ASP 32 9.034 6.683 13.351 283 HB2 ASP 32 HB2 ASP 32 7.246 6.469 11.674 284 HB3 ASP 32 HB1 ASP 32 7.844 7.873 10.803 285 H LYS 33 HN LYS 33 9.284 10.094 12.526 286 HA LYS 33 HA LYS 33 12.021 9.739 11.428 287 HB2 LYS 33 HB2 LYS 33 10.412 12.324 11.485 288 HB3 LYS 33 HB1 LYS 33 11.877 12.003 10.568 289 HG2 LYS 33 HG2 LYS 33 9.135 10.828 10.079 290 HG3 LYS 33 HG1 LYS 33 9.962 12.029 9.092 291 HD2 LYS 33 HD2 LYS 33 11.598 10.426 8.370 292 HD3 LYS 33 HD1 LYS 33 11.021 9.216 9.525 293 HE2 LYS 33 HE2 LYS 33 8.810 9.215 8.291 294 HE3 LYS 33 HE1 LYS 33 9.556 10.258 7.075 295 HZ1 LYS 33 HZ1 LYS 33 11.236 8.502 6.746 296 HZ2 LYS 33 HZ2 LYS 33 9.669 8.012 6.346 297 HZ3 LYS 33 HZ3 LYS 33 10.368 7.497 7.800 298 H GLU 34 HN GLU 34 10.459 12.223 13.553 299 HA GLU 34 HA GLU 34 13.044 12.750 14.777 300 HB2 GLU 34 HB2 GLU 34 12.018 14.670 15.850 301 HB3 GLU 34 HB1 GLU 34 11.686 14.667 14.124 302 HG2 GLU 34 HG2 GLU 34 9.392 13.917 14.528 303 HG3 GLU 34 HG1 GLU 34 9.708 13.802 16.263 304 H GLY 35 HN GLY 35 10.134 11.027 15.601 305 HA2 GLY 35 HA2 GLY 35 10.212 9.202 17.085 306 HA3 GLY 35 HA1 GLY 35 11.552 9.939 17.945 307 H ILE 36 HN ILE 36 8.861 12.009 17.295 308 HA ILE 36 HA ILE 36 8.199 11.971 20.178 309 HB ILE 36 HB ILE 36 7.935 14.189 18.093 310 HG12 ILE 36 HG12 ILE 36 9.179 15.515 19.915 311 HG13 ILE 36 HG11 ILE 36 9.364 14.008 20.799 312 HG21 ILE 36 HG21 ILE 36 5.817 14.198 19.328 313 HG22 ILE 36 HG22 ILE 36 6.787 15.591 19.803 314 HG23 ILE 36 HG23 ILE 36 6.679 14.185 20.868 315 HD11 ILE 36 HD11 ILE 36 10.511 14.632 18.091 316 HD12 ILE 36 HD12 ILE 36 10.716 13.114 18.972 317 HD13 ILE 36 HD13 ILE 36 11.379 14.614 19.623 318 HA PRO 37 HA PRO 37 4.427 9.819 19.053 319 HB2 PRO 37 HB2 PRO 37 3.068 9.976 21.435 320 HB3 PRO 37 HB1 PRO 37 4.483 8.940 21.215 321 HG2 PRO 37 HG2 PRO 37 4.342 11.708 22.420 322 HG3 PRO 37 HG1 PRO 37 5.154 10.256 23.054 323 HD2 PRO 37 HD2 PRO 37 6.522 12.172 21.721 324 HD3 PRO 37 HD1 PRO 37 6.952 10.459 21.559 325 HA PRO 38 HA PRO 38 1.380 12.751 17.532 326 HB2 PRO 38 HB2 PRO 38 -0.993 11.285 17.942 327 HB3 PRO 38 HB1 PRO 38 0.094 11.129 16.558 328 HG2 PRO 38 HG2 PRO 38 -0.010 9.478 19.074 329 HG3 PRO 38 HG1 PRO 38 0.183 8.944 17.387 330 HD2 PRO 38 HD2 PRO 38 2.299 9.059 19.000 331 HD3 PRO 38 HD1 PRO 38 2.447 9.606 17.313 332 H ASP 39 HN ASP 39 1.180 11.674 20.816 333 HA ASP 39 HA ASP 39 -0.818 13.514 21.728 334 HB2 ASP 39 HB2 ASP 39 -0.162 11.475 22.996 335 HB3 ASP 39 HB1 ASP 39 1.447 12.144 23.251 336 H GLN 40 HN GLN 40 2.729 13.570 21.571 337 HA GLN 40 HA GLN 40 2.900 16.178 22.875 338 HB2 GLN 40 HB2 GLN 40 4.779 13.911 22.356 339 HB3 GLN 40 HB1 GLN 40 5.510 15.502 22.379 340 HG2 GLN 40 HG2 GLN 40 5.592 14.276 24.562 341 HG3 GLN 40 HG1 GLN 40 4.870 15.876 24.640 342 HE21 GLN 40 HE21 GLN 40 4.202 12.442 24.744 343 HE22 GLN 40 HE22 GLN 40 2.658 12.572 25.507 344 H GLN 41 HN GLN 41 3.167 14.905 19.653 345 HA GLN 41 HA GLN 41 4.155 17.518 18.658 346 HB2 GLN 41 HB2 GLN 41 4.445 16.345 16.467 347 HB3 GLN 41 HB1 GLN 41 5.411 15.679 17.769 348 HG2 GLN 41 HG2 GLN 41 4.705 13.694 16.928 349 HG3 GLN 41 HG1 GLN 41 3.281 14.007 17.906 350 HE21 GLN 41 HE21 GLN 41 4.081 15.640 14.865 351 HE22 GLN 41 HE22 GLN 41 2.761 14.978 13.978 352 H ARG 42 HN ARG 42 2.785 18.931 17.763 353 HA ARG 42 HA ARG 42 -0.079 18.214 17.446 354 HB2 ARG 42 HB2 ARG 42 0.742 19.799 19.362 355 HB3 ARG 42 HB1 ARG 42 1.014 20.982 18.098 356 HG2 ARG 42 HG2 ARG 42 -1.389 20.943 17.525 357 HG3 ARG 42 HG1 ARG 42 -1.663 19.736 18.788 358 HD2 ARG 42 HD2 ARG 42 -0.704 21.415 20.450 359 HD3 ARG 42 HD1 ARG 42 -0.754 22.614 19.153 360 HE ARG 42 HE ARG 42 -3.284 21.763 19.151 361 HH11 ARG 42 HH11 ARG 42 -1.253 22.749 21.841 362 HH12 ARG 42 HH12 ARG 42 -2.593 23.219 22.842 363 HH21 ARG 42 HH21 ARG 42 -5.047 22.363 20.498 364 HH22 ARG 42 HH22 ARG 42 -4.738 22.992 22.086 365 H LEU 43 HN LEU 43 -1.029 18.728 15.521 366 HA LEU 43 HA LEU 43 0.782 19.513 13.343 367 HB2 LEU 43 HB2 LEU 43 -1.791 17.914 13.479 368 HB3 LEU 43 HB1 LEU 43 -1.266 18.589 11.950 369 HG LEU 43 HG LEU 43 -0.594 16.254 12.094 370 HD11 LEU 43 HD11 LEU 43 0.847 17.808 10.855 371 HD12 LEU 43 HD12 LEU 43 1.785 16.489 11.559 372 HD13 LEU 43 HD13 LEU 43 1.815 18.091 12.306 373 HD21 LEU 43 HD21 LEU 43 -0.472 15.991 14.527 374 HD22 LEU 43 HD22 LEU 43 0.973 17.003 14.590 375 HD23 LEU 43 HD23 LEU 43 1.021 15.443 13.766 376 H ILE 44 HN ILE 44 0.697 21.529 12.577 377 HA ILE 44 HA ILE 44 -1.890 22.884 12.248 378 HB ILE 44 HB ILE 44 0.529 24.211 13.590 379 HG12 ILE 44 HG12 ILE 44 -2.286 23.807 14.725 380 HG13 ILE 44 HG11 ILE 44 -0.955 22.716 15.055 381 HG21 ILE 44 HG21 ILE 44 -0.856 26.278 13.742 382 HG22 ILE 44 HG22 ILE 44 -2.118 25.495 12.789 383 HG23 ILE 44 HG23 ILE 44 -0.542 25.820 12.068 384 HD11 ILE 44 HD11 ILE 44 -1.376 24.240 16.877 385 HD12 ILE 44 HD12 ILE 44 -1.055 25.618 15.822 386 HD13 ILE 44 HD13 ILE 44 0.233 24.467 16.199 387 H PHE 45 HN PHE 45 -2.057 23.691 10.254 388 HA PHE 45 HA PHE 45 0.328 24.471 8.668 389 HB2 PHE 45 HB2 PHE 45 -0.466 22.324 7.806 390 HB3 PHE 45 HB1 PHE 45 -2.130 22.879 7.796 391 HD1 PHE 45 HD2 PHE 45 1.158 23.227 6.082 392 HD2 PHE 45 HD1 PHE 45 -3.028 24.096 5.891 393 HE1 PHE 45 HE2 PHE 45 1.396 23.835 3.722 394 HE2 PHE 45 HE1 PHE 45 -2.777 24.709 3.525 395 HZ PHE 45 HZ PHE 45 -0.572 24.581 2.438 396 H ALA 46 HN ALA 46 0.171 26.567 8.107 397 HA ALA 46 HA ALA 46 -0.577 28.581 7.417 398 HB1 ALA 46 HB1 ALA 46 -2.558 28.675 5.960 399 HB2 ALA 46 HB2 ALA 46 -3.063 27.078 6.526 400 HB3 ALA 46 HB3 ALA 46 -1.581 27.255 5.586 401 H GLY 47 HN GLY 47 -1.449 27.455 10.182 402 HA2 GLY 47 HA2 GLY 47 -2.131 28.849 11.965 403 HA3 GLY 47 HA1 GLY 47 -3.147 29.773 10.871 404 H LYS 48 HN LYS 48 -3.627 26.497 10.264 405 HA LYS 48 HA LYS 48 -5.939 26.305 12.143 406 HB2 LYS 48 HB2 LYS 48 -7.221 25.260 10.443 407 HB3 LYS 48 HB1 LYS 48 -6.392 26.557 9.601 408 HG2 LYS 48 HG2 LYS 48 -4.617 24.648 9.048 409 HG3 LYS 48 HG1 LYS 48 -5.969 23.581 9.395 410 HD2 LYS 48 HD2 LYS 48 -5.946 23.923 7.038 411 HD3 LYS 48 HD1 LYS 48 -7.306 24.858 7.660 412 HE2 LYS 48 HE2 LYS 48 -6.007 26.915 7.489 413 HE3 LYS 48 HE1 LYS 48 -4.576 26.003 6.988 414 HZ1 LYS 48 HZ1 LYS 48 -5.835 25.266 5.030 415 HZ2 LYS 48 HZ2 LYS 48 -5.657 26.948 5.088 416 HZ3 LYS 48 HZ3 LYS 48 -7.133 26.240 5.509 417 H GLN 49 HN GLN 49 -6.258 24.322 13.183 418 HA GLN 49 HA GLN 49 -3.978 22.534 13.421 419 HB2 GLN 49 HB2 GLN 49 -5.232 23.159 15.418 420 HB3 GLN 49 HB1 GLN 49 -6.725 22.534 14.747 421 HG2 GLN 49 HG2 GLN 49 -4.412 20.643 15.179 422 HG3 GLN 49 HG1 GLN 49 -5.358 21.162 16.567 423 HE21 GLN 49 HE21 GLN 49 -5.108 18.478 15.475 424 HE22 GLN 49 HE22 GLN 49 -6.699 17.974 15.043 425 H LEU 50 HN LEU 50 -3.855 20.400 12.735 426 HA LEU 50 HA LEU 50 -5.634 19.690 10.516 427 HB2 LEU 50 HB2 LEU 50 -3.049 18.328 11.303 428 HB3 LEU 50 HB1 LEU 50 -3.919 18.185 9.788 429 HG LEU 50 HG LEU 50 -2.311 20.570 10.768 430 HD11 LEU 50 HD11 LEU 50 -0.968 20.177 8.764 431 HD12 LEU 50 HD12 LEU 50 -1.962 18.774 8.367 432 HD13 LEU 50 HD13 LEU 50 -0.982 18.776 9.835 433 HD21 LEU 50 HD21 LEU 50 -2.934 21.750 8.702 434 HD22 LEU 50 HD22 LEU 50 -4.352 21.446 9.698 435 HD23 LEU 50 HD23 LEU 50 -4.043 20.448 8.275 436 H GLU 51 HN GLU 51 -7.271 18.334 10.924 437 HA GLU 51 HA GLU 51 -7.500 16.787 13.336 438 HB2 GLU 51 HB2 GLU 51 -9.463 17.931 12.425 439 HB3 GLU 51 HB1 GLU 51 -9.297 17.084 10.892 440 HG2 GLU 51 HG2 GLU 51 -9.787 14.922 12.071 441 HG3 GLU 51 HG1 GLU 51 -10.052 15.830 13.555 442 H ASP 52 HN ASP 52 -7.442 14.592 13.529 443 HA ASP 52 HA ASP 52 -5.617 13.131 11.989 444 HB2 ASP 52 HB2 ASP 52 -6.178 11.253 13.438 445 HB3 ASP 52 HB1 ASP 52 -6.124 12.732 14.390 446 H GLY 53 HN GLY 53 -9.157 13.162 11.949 447 HA2 GLY 53 HA2 GLY 53 -9.533 10.861 10.271 448 HA3 GLY 53 HA1 GLY 53 -10.757 12.022 10.760 449 H ARG 54 HN ARG 54 -8.914 14.208 9.645 450 HA ARG 54 HA ARG 54 -9.853 14.140 6.891 451 HB2 ARG 54 HB2 ARG 54 -8.344 16.233 8.498 452 HB3 ARG 54 HB1 ARG 54 -8.885 16.469 6.833 453 HG2 ARG 54 HG2 ARG 54 -11.231 16.111 7.577 454 HG3 ARG 54 HG1 ARG 54 -10.677 15.932 9.230 455 HD2 ARG 54 HD2 ARG 54 -9.836 18.215 9.210 456 HD3 ARG 54 HD1 ARG 54 -10.346 18.432 7.532 457 HE ARG 54 HE ARG 54 -12.604 17.641 8.908 458 HH11 ARG 54 HH11 ARG 54 -10.394 20.348 9.253 459 HH12 ARG 54 HH12 ARG 54 -11.638 21.439 9.768 460 HH21 ARG 54 HH21 ARG 54 -14.193 19.079 9.568 461 HH22 ARG 54 HH22 ARG 54 -13.781 20.724 9.940 462 H THR 55 HN THR 55 -8.172 15.190 5.314 463 HA THR 55 HA THR 55 -5.691 13.546 5.356 464 HB THR 55 HB THR 55 -5.807 13.603 2.842 465 HG1 THR 55 HG1 THR 55 -8.511 14.357 2.915 466 HG21 THR 55 HG21 THR 55 -7.613 11.949 2.562 467 HG22 THR 55 HG22 THR 55 -8.270 12.381 4.141 468 HG23 THR 55 HG23 THR 55 -6.678 11.627 4.028 469 H LEU 56 HN LEU 56 -3.962 14.486 3.985 470 HA LEU 56 HA LEU 56 -3.220 17.095 4.650 471 HB2 LEU 56 HB2 LEU 56 -2.322 15.337 2.332 472 HB3 LEU 56 HB1 LEU 56 -1.564 16.871 2.714 473 HG LEU 56 HG LEU 56 -1.606 14.437 4.552 474 HD11 LEU 56 HD11 LEU 56 0.795 14.250 4.061 475 HD12 LEU 56 HD12 LEU 56 0.687 15.593 2.920 476 HD13 LEU 56 HD13 LEU 56 -0.161 14.081 2.590 477 HD21 LEU 56 HD21 LEU 56 -0.009 15.698 5.955 478 HD22 LEU 56 HD22 LEU 56 -1.549 16.544 5.836 479 HD23 LEU 56 HD23 LEU 56 -0.169 17.104 4.893 480 H SER 57 HN SER 57 -4.703 15.812 1.694 481 HA SER 57 HA SER 57 -4.704 18.161 0.131 482 HB2 SER 57 HB2 SER 57 -4.883 15.882 -0.837 483 HB3 SER 57 HB1 SER 57 -6.467 15.673 -0.096 484 HG SER 57 HG SER 57 -6.480 17.940 -1.529 485 H ASP 58 HN ASP 58 -6.888 16.957 2.604 486 HA ASP 58 HA ASP 58 -9.203 18.490 1.947 487 HB2 ASP 58 HB2 ASP 58 -9.258 16.569 3.530 488 HB3 ASP 58 HB1 ASP 58 -8.253 17.466 4.667 489 H TYR 59 HN TYR 59 -6.334 19.069 3.926 490 HA TYR 59 HA TYR 59 -7.191 21.747 4.694 491 HB2 TYR 59 HB2 TYR 59 -4.880 19.945 5.466 492 HB3 TYR 59 HB1 TYR 59 -4.882 21.648 5.911 493 HD1 TYR 59 HD2 TYR 59 -7.156 22.475 6.997 494 HD2 TYR 59 HD1 TYR 59 -5.809 18.428 7.066 495 HE1 TYR 59 HE2 TYR 59 -8.508 22.082 8.983 496 HE2 TYR 59 HE1 TYR 59 -7.184 18.027 9.057 497 HH TYR 59 HH TYR 59 -8.128 19.793 11.037 498 H ASN 60 HN ASN 60 -6.206 20.766 1.853 499 HA ASN 60 HA ASN 60 -5.331 21.720 0.007 500 HB2 ASN 60 HB2 ASN 60 -4.808 24.145 1.778 501 HB3 ASN 60 HB1 ASN 60 -4.573 24.136 0.036 502 HD21 ASN 60 HD21 ASN 60 -6.979 23.926 2.596 503 HD22 ASN 60 HD22 ASN 60 -8.330 24.361 1.604 504 H ILE 61 HN ILE 61 -3.650 20.391 2.225 505 HA ILE 61 HA ILE 61 -0.922 21.210 1.579 506 HB ILE 61 HB ILE 61 -1.770 18.721 3.129 507 HG12 ILE 61 HG12 ILE 61 -1.172 21.364 4.507 508 HG13 ILE 61 HG11 ILE 61 -2.802 20.945 4.003 509 HG21 ILE 61 HG21 ILE 61 0.611 18.801 2.495 510 HG22 ILE 61 HG22 ILE 61 0.427 18.926 4.243 511 HG23 ILE 61 HG23 ILE 61 0.787 20.368 3.290 512 HD11 ILE 61 HD11 ILE 61 -2.818 19.020 5.442 513 HD12 ILE 61 HD12 ILE 61 -2.364 20.457 6.362 514 HD13 ILE 61 HD13 ILE 61 -1.125 19.296 5.887 515 H GLN 62 HN GLN 62 0.019 20.438 -0.233 516 HA GLN 62 HA GLN 62 -0.621 17.701 -1.215 517 HB2 GLN 62 HB2 GLN 62 0.102 18.439 -3.444 518 HB3 GLN 62 HB1 GLN 62 -1.206 19.462 -2.868 519 HG2 GLN 62 HG2 GLN 62 0.324 21.274 -2.386 520 HG3 GLN 62 HG1 GLN 62 1.720 20.244 -2.709 521 HE21 GLN 62 HE21 GLN 62 2.179 19.657 -4.872 522 HE22 GLN 62 HE22 GLN 62 1.570 20.570 -6.205 523 H LYS 63 HN LYS 63 1.514 17.074 -2.678 524 HA LYS 63 HA LYS 63 3.672 16.590 -0.969 525 HB2 LYS 63 HB2 LYS 63 4.979 16.020 -2.980 526 HB3 LYS 63 HB1 LYS 63 3.378 15.292 -3.001 527 HG2 LYS 63 HG2 LYS 63 2.586 16.836 -4.655 528 HG3 LYS 63 HG1 LYS 63 4.026 17.846 -4.503 529 HD2 LYS 63 HD2 LYS 63 4.012 14.986 -5.545 530 HD3 LYS 63 HD1 LYS 63 4.036 16.429 -6.562 531 HE2 LYS 63 HE2 LYS 63 6.198 17.094 -5.542 532 HE3 LYS 63 HE1 LYS 63 6.187 15.619 -4.571 533 HZ1 LYS 63 HZ1 LYS 63 7.538 15.470 -6.605 534 HZ2 LYS 63 HZ2 LYS 63 6.137 15.678 -7.532 535 HZ3 LYS 63 HZ3 LYS 63 6.304 14.314 -6.547 536 H GLU 64 HN GLU 64 5.606 17.563 -0.616 537 HA GLU 64 HA GLU 64 7.259 19.047 -0.445 538 HB2 GLU 64 HB2 GLU 64 6.158 20.440 -2.913 539 HB3 GLU 64 HB1 GLU 64 7.766 20.663 -2.233 540 HG2 GLU 64 HG2 GLU 64 6.706 18.117 -3.509 541 HG3 GLU 64 HG1 GLU 64 7.825 19.257 -4.249 542 H SER 65 HN SER 65 4.097 19.759 0.162 543 HA SER 65 HA SER 65 4.276 22.592 0.688 544 HB2 SER 65 HB2 SER 65 2.258 20.539 1.688 545 HB3 SER 65 HB1 SER 65 2.081 22.292 1.803 546 HG SER 65 HG SER 65 2.520 21.048 -0.692 547 H THR 66 HN THR 66 4.857 23.614 2.555 548 HA THR 66 HA THR 66 5.931 21.977 4.751 549 HB THR 66 HB THR 66 6.382 24.942 4.207 550 HG1 THR 66 HG1 THR 66 7.320 22.865 2.876 551 HG21 THR 66 HG21 THR 66 6.777 24.302 6.582 552 HG22 THR 66 HG22 THR 66 8.293 24.694 5.769 553 HG23 THR 66 HG23 THR 66 7.852 23.008 6.062 554 H LEU 67 HN LEU 67 5.019 21.922 6.650 555 HA LEU 67 HA LEU 67 3.056 23.956 7.523 556 HB2 LEU 67 HB2 LEU 67 1.931 22.122 8.852 557 HB3 LEU 67 HB1 LEU 67 1.685 22.049 7.124 558 HG LEU 67 HG LEU 67 3.840 20.323 8.364 559 HD11 LEU 67 HD11 LEU 67 2.227 18.500 8.723 560 HD12 LEU 67 HD12 LEU 67 0.892 19.580 8.307 561 HD13 LEU 67 HD13 LEU 67 1.855 19.885 9.751 562 HD21 LEU 67 HD21 LEU 67 3.325 18.830 6.477 563 HD22 LEU 67 HD22 LEU 67 3.693 20.452 5.895 564 HD23 LEU 67 HD23 LEU 67 2.018 19.900 5.959 565 H HIS 68 HN HIS 68 2.790 23.647 10.024 566 HA HIS 68 HA HIS 68 5.505 23.610 11.205 567 HB2 HIS 68 HB2 HIS 68 3.022 25.165 12.064 568 HB3 HIS 68 HB1 HIS 68 4.560 25.152 12.939 569 HD1 HIS 68 HD1 HIS 68 2.878 26.700 10.016 570 HD2 HIS 68 HD2 HIS 68 6.734 26.427 11.550 571 HE1 HIS 68 HE1 HIS 68 4.221 28.419 8.779 572 HE2 HIS 68 HE2 HIS 68 6.575 28.151 9.632 573 H LEU 69 HN LEU 69 5.770 22.848 13.330 574 HA LEU 69 HA LEU 69 3.865 20.784 14.238 575 HB2 LEU 69 HB2 LEU 69 5.877 19.973 12.794 576 HB3 LEU 69 HB1 LEU 69 6.891 20.397 14.147 577 HG LEU 69 HG LEU 69 6.324 17.942 13.949 578 HD11 LEU 69 HD11 LEU 69 7.066 18.898 16.091 579 HD12 LEU 69 HD12 LEU 69 5.971 17.538 16.302 580 HD13 LEU 69 HD13 LEU 69 5.381 19.186 16.540 581 HD21 LEU 69 HD21 LEU 69 4.008 18.155 13.162 582 HD22 LEU 69 HD22 LEU 69 3.517 18.816 14.726 583 HD23 LEU 69 HD23 LEU 69 4.100 17.153 14.607 584 H VAL 70 HN VAL 70 3.475 20.980 16.312 585 HA VAL 70 HA VAL 70 5.090 22.805 17.976 586 HB VAL 70 HB VAL 70 2.200 21.908 18.252 587 HG11 VAL 70 HG11 VAL 70 3.714 23.935 19.932 588 HG12 VAL 70 HG12 VAL 70 3.149 22.352 20.467 589 HG13 VAL 70 HG13 VAL 70 1.980 23.598 20.036 590 HG21 VAL 70 HG21 VAL 70 3.302 24.608 17.397 591 HG22 VAL 70 HG22 VAL 70 1.598 24.174 17.561 592 HG23 VAL 70 HG23 VAL 70 2.587 23.401 16.322 593 H LEU 71 HN LEU 71 6.515 21.700 19.103 594 HA LEU 71 HA LEU 71 6.066 19.026 20.126 595 HB2 LEU 71 HB2 LEU 71 8.381 20.979 20.486 596 HB3 LEU 71 HB1 LEU 71 8.339 19.339 21.122 597 HG LEU 71 HG LEU 71 8.245 20.041 18.165 598 HD11 LEU 71 HD11 LEU 71 10.460 20.542 19.081 599 HD12 LEU 71 HD12 LEU 71 10.533 19.116 18.048 600 HD13 LEU 71 HD13 LEU 71 10.552 18.933 19.804 601 HD21 LEU 71 HD21 LEU 71 8.535 17.622 17.795 602 HD22 LEU 71 HD22 LEU 71 7.042 17.962 18.660 603 HD23 LEU 71 HD23 LEU 71 8.437 17.331 19.536 604 H ARG 72 HN ARG 72 5.659 18.464 22.179 605 HA ARG 72 HA ARG 72 4.957 20.575 24.144 606 HB2 ARG 72 HB2 ARG 72 3.819 17.766 23.789 607 HB3 ARG 72 HB1 ARG 72 3.353 18.889 25.063 608 HG2 ARG 72 HG2 ARG 72 2.461 20.451 23.370 609 HG3 ARG 72 HG1 ARG 72 2.932 19.330 22.090 610 HD2 ARG 72 HD2 ARG 72 0.535 19.139 22.595 611 HD3 ARG 72 HD1 ARG 72 1.380 17.636 22.983 612 HE ARG 72 HE ARG 72 0.853 19.611 25.106 613 HH11 ARG 72 HH11 ARG 72 0.217 16.406 23.815 614 HH12 ARG 72 HH12 ARG 72 -0.581 15.852 25.248 615 HH21 ARG 72 HH21 ARG 72 -0.189 18.868 26.979 616 HH22 ARG 72 HH22 ARG 72 -0.809 17.244 27.049 617 H LEU 73 HN LEU 73 6.266 17.273 23.821 618 HA LEU 73 HA LEU 73 7.577 15.956 25.099 619 HB2 LEU 73 HB2 LEU 73 8.728 18.691 25.684 620 HB3 LEU 73 HB1 LEU 73 9.382 17.304 26.530 621 HG LEU 73 HG LEU 73 10.778 17.903 24.614 622 HD11 LEU 73 HD11 LEU 73 10.982 15.717 23.547 623 HD12 LEU 73 HD12 LEU 73 9.401 15.249 24.179 624 HD13 LEU 73 HD13 LEU 73 10.738 15.570 25.286 625 HD21 LEU 73 HD21 LEU 73 9.064 18.904 23.146 626 HD22 LEU 73 HD22 LEU 73 8.407 17.300 22.819 627 HD23 LEU 73 HD23 LEU 73 10.040 17.711 22.291 628 H ARG 74 HN ARG 74 5.030 16.873 26.240 629 HA ARG 74 HA ARG 74 5.256 17.456 29.002 630 HB2 ARG 74 HB2 ARG 74 2.910 16.335 27.435 631 HB3 ARG 74 HB1 ARG 74 2.806 16.926 29.086 632 HG2 ARG 74 HG2 ARG 74 3.530 18.612 26.669 633 HG3 ARG 74 HG1 ARG 74 1.937 18.536 27.415 634 HD2 ARG 74 HD2 ARG 74 2.838 20.507 28.291 635 HD3 ARG 74 HD1 ARG 74 3.143 19.344 29.578 636 HE ARG 74 HE ARG 74 5.186 20.294 27.633 637 HH11 ARG 74 HH11 ARG 74 4.388 19.179 30.867 638 HH12 ARG 74 HH12 ARG 74 5.978 19.478 31.494 639 HH21 ARG 74 HH21 ARG 74 7.256 20.676 28.473 640 HH22 ARG 74 HH22 ARG 74 7.604 20.319 30.142 641 H GLY 75 HN GLY 75 4.360 14.477 27.299 642 HA2 GLY 75 HA2 GLY 75 4.883 12.784 29.626 643 HA3 GLY 75 HA1 GLY 75 4.303 12.273 28.047 644 H GLY 76 HN GLY 76 6.608 13.937 26.837 645 HA2 GLY 76 HA2 GLY 76 9.093 13.387 27.064 646 HA3 GLY 76 HA1 GLY 76 8.566 11.710 26.935 647 H1 GLY 195 HN GLY 195 20.054 13.671 28.899 648 HA2 GLY 195 HA2 GLY 195 17.458 13.211 29.999 649 HA3 GLY 195 HA1 GLY 195 18.674 13.256 31.268 650 H SER 196 HN SER 196 16.926 15.085 28.885 651 HA SER 196 HA SER 196 17.494 17.592 30.233 652 HB2 SER 196 HB2 SER 196 19.377 17.465 28.618 653 HB3 SER 196 HB1 SER 196 18.242 17.203 27.293 654 HG SER 196 HG SER 196 18.401 19.306 27.173 655 H ARG 197 HN ARG 197 15.740 18.890 30.172 656 HA ARG 197 HA ARG 197 13.916 19.208 28.045 657 HB2 ARG 197 HB2 ARG 197 13.138 16.937 28.763 658 HB3 ARG 197 HB1 ARG 197 12.820 17.561 30.377 659 HG2 ARG 197 HG2 ARG 197 11.100 19.090 29.427 660 HG3 ARG 197 HG1 ARG 197 11.418 18.422 27.822 661 HD2 ARG 197 HD2 ARG 197 10.316 16.944 30.228 662 HD3 ARG 197 HD1 ARG 197 9.448 17.352 28.742 663 HE ARG 197 HE ARG 197 11.401 15.888 27.728 664 HH11 ARG 197 HH11 ARG 197 9.342 15.172 30.491 665 HH12 ARG 197 HH12 ARG 197 9.626 13.462 30.392 666 HH21 ARG 197 HH21 ARG 197 11.773 13.686 27.638 667 HH22 ARG 197 HH22 ARG 197 11.004 12.620 28.773 668 H GLN 198 HN GLN 198 14.328 21.398 28.557 669 HA GLN 198 HA GLN 198 13.173 22.415 31.103 670 HB2 GLN 198 HB2 GLN 198 15.675 22.770 30.741 671 HB3 GLN 198 HB1 GLN 198 15.277 23.782 29.360 672 HG2 GLN 198 HG2 GLN 198 14.112 25.369 30.830 673 HG3 GLN 198 HG1 GLN 198 14.422 24.328 32.220 674 HE21 GLN 198 HE21 GLN 198 15.533 25.936 33.327 675 HE22 GLN 198 HE22 GLN 198 17.107 26.475 32.865 676 H VAL 199 HN VAL 199 12.081 24.514 30.928 677 HA VAL 199 HA VAL 199 10.065 24.655 29.041 678 HB VAL 199 HB VAL 199 9.801 25.728 31.170 679 HG11 VAL 199 HG11 VAL 199 12.000 27.703 30.444 680 HG12 VAL 199 HG12 VAL 199 12.114 26.411 31.640 681 HG13 VAL 199 HG13 VAL 199 11.001 27.753 31.902 682 HG21 VAL 199 HG21 VAL 199 8.471 26.703 29.332 683 HG22 VAL 199 HG22 VAL 199 9.740 27.889 29.018 684 HG23 VAL 199 HG23 VAL 199 8.859 27.921 30.547 685 H THR 200 HN THR 200 10.491 24.713 26.909 686 HA THR 200 HA THR 200 12.616 26.301 25.725 687 HB THR 200 HB THR 200 10.537 24.492 24.413 688 HG1 THR 200 HG1 THR 200 12.248 23.667 26.038 689 HG21 THR 200 HG21 THR 200 12.115 24.361 22.527 690 HG22 THR 200 HG22 THR 200 13.204 25.490 23.333 691 HG23 THR 200 HG23 THR 200 11.615 26.032 22.790 692 H LYS 201 HN LYS 201 12.359 28.217 24.652 693 HA LYS 201 HA LYS 201 9.694 29.448 24.526 694 HB2 LYS 201 HB2 LYS 201 12.440 30.693 24.033 695 HB3 LYS 201 HB1 LYS 201 10.910 31.557 24.010 696 HG2 LYS 201 HG2 LYS 201 11.868 32.064 26.102 697 HG3 LYS 201 HG1 LYS 201 10.625 30.867 26.459 698 HD2 LYS 201 HD2 LYS 201 12.393 29.100 26.551 699 HD3 LYS 201 HD1 LYS 201 13.617 30.331 26.226 700 HE2 LYS 201 HE2 LYS 201 11.793 30.298 28.646 701 HE3 LYS 201 HE1 LYS 201 13.457 29.716 28.624 702 HZ1 LYS 201 HZ1 LYS 201 13.303 31.942 29.500 703 HZ2 LYS 201 HZ2 LYS 201 12.596 32.497 28.069 704 HZ3 LYS 201 HZ3 LYS 201 14.193 31.937 28.061 705 H VAL 202 HN VAL 202 8.658 29.704 22.648 706 HA VAL 202 HA VAL 202 9.842 28.926 20.106 707 HB VAL 202 HB VAL 202 7.924 27.077 19.953 708 HG11 VAL 202 HG11 VAL 202 10.448 26.545 21.564 709 HG12 VAL 202 HG12 VAL 202 10.304 26.506 19.806 710 HG13 VAL 202 HG13 VAL 202 9.446 25.316 20.784 711 HG21 VAL 202 HG21 VAL 202 7.347 25.962 22.040 712 HG22 VAL 202 HG22 VAL 202 6.910 27.663 22.182 713 HG23 VAL 202 HG23 VAL 202 8.365 27.064 22.972 714 H ASP 203 HN ASP 203 8.551 29.385 18.307 715 HA ASP 203 HA ASP 203 6.811 31.651 18.653 716 HB2 ASP 203 HB2 ASP 203 7.608 30.136 16.129 717 HB3 ASP 203 HB1 ASP 203 6.648 31.613 16.130 718 H CYS 204 HN CYS 204 4.648 31.870 18.054 719 HA CYS 204 HA CYS 204 2.991 29.466 18.311 720 HB2 CYS 204 HB2 CYS 204 2.630 31.516 19.748 721 HB3 CYS 204 HB1 CYS 204 2.130 32.394 18.314 722 HA PRO 205 HA PRO 205 3.413 29.655 13.793 723 HB2 PRO 205 HB2 PRO 205 1.994 27.343 13.164 724 HB3 PRO 205 HB1 PRO 205 3.676 27.378 13.709 725 HG2 PRO 205 HG2 PRO 205 1.176 26.946 15.348 726 HG3 PRO 205 HG1 PRO 205 2.690 26.010 15.350 727 HD2 PRO 205 HD2 PRO 205 2.251 27.818 17.254 728 HD3 PRO 205 HD1 PRO 205 3.864 27.689 16.526 729 H VAL 206 HN VAL 206 0.429 30.073 15.390 730 HA VAL 206 HA VAL 206 -1.029 30.648 12.901 731 HB VAL 206 HB VAL 206 -2.015 30.947 15.781 732 HG11 VAL 206 HG11 VAL 206 -4.267 30.991 14.760 733 HG12 VAL 206 HG12 VAL 206 -3.553 30.882 13.150 734 HG13 VAL 206 HG13 VAL 206 -3.263 32.305 14.151 735 HG21 VAL 206 HG21 VAL 206 -3.182 28.780 15.476 736 HG22 VAL 206 HG22 VAL 206 -1.436 28.585 15.333 737 HG23 VAL 206 HG23 VAL 206 -2.436 28.592 13.883 738 H CYS 207 HN CYS 207 -0.087 32.386 15.938 739 HA CYS 207 HA CYS 207 -0.720 34.954 14.596 740 HB2 CYS 207 HB2 CYS 207 -1.329 35.881 16.690 741 HB3 CYS 207 HB1 CYS 207 -2.026 34.268 16.696 742 H GLY 208 HN GLY 208 1.950 33.203 15.080 743 HA2 GLY 208 HA2 GLY 208 4.084 33.815 14.479 744 HA3 GLY 208 HA1 GLY 208 3.662 35.501 14.653 745 H VAL 209 HN VAL 209 2.788 35.101 17.508 746 HA VAL 209 HA VAL 209 5.127 36.252 18.534 747 HB VAL 209 HB VAL 209 3.952 36.434 20.686 748 HG11 VAL 209 HG11 VAL 209 2.091 36.889 18.317 749 HG12 VAL 209 HG12 VAL 209 3.340 38.002 18.882 750 HG13 VAL 209 HG13 VAL 209 1.942 37.658 19.900 751 HG21 VAL 209 HG21 VAL 209 1.890 34.524 19.490 752 HG22 VAL 209 HG22 VAL 209 1.693 35.402 21.010 753 HG23 VAL 209 HG23 VAL 209 2.958 34.184 20.856 754 H ASN 210 HN ASN 210 6.831 35.545 19.743 755 HA ASN 210 HA ASN 210 7.210 32.704 20.228 756 HB2 ASN 210 HB2 ASN 210 9.061 34.203 19.335 757 HB3 ASN 210 HB1 ASN 210 9.119 34.988 20.910 758 HD21 ASN 210 HD21 ASN 210 9.800 32.049 19.144 759 HD22 ASN 210 HD22 ASN 210 10.790 31.320 20.361 760 H ILE 211 HN ILE 211 6.913 31.751 22.117 761 HA ILE 211 HA ILE 211 6.589 33.119 24.676 762 HB ILE 211 HB ILE 211 4.305 31.809 24.929 763 HG12 ILE 211 HG12 ILE 211 4.456 31.989 21.882 764 HG13 ILE 211 HG11 ILE 211 4.522 30.506 22.822 765 HG21 ILE 211 HG21 ILE 211 2.957 33.699 24.109 766 HG22 ILE 211 HG22 ILE 211 4.334 34.294 23.178 767 HG23 ILE 211 HG23 ILE 211 4.406 34.274 24.938 768 HD11 ILE 211 HD11 ILE 211 2.166 32.361 22.580 769 HD12 ILE 211 HD12 ILE 211 2.228 30.900 23.578 770 HD13 ILE 211 HD13 ILE 211 2.366 30.778 21.821 771 HA PRO 212 HA PRO 212 8.261 29.197 26.229 772 HB2 PRO 212 HB2 PRO 212 6.855 28.876 28.603 773 HB3 PRO 212 HB1 PRO 212 8.213 29.990 28.401 774 HG2 PRO 212 HG2 PRO 212 5.252 30.575 28.236 775 HG3 PRO 212 HG1 PRO 212 6.521 31.466 29.113 776 HD2 PRO 212 HD2 PRO 212 5.636 32.342 26.741 777 HD3 PRO 212 HD1 PRO 212 7.369 32.438 27.137 778 H GLU 213 HN GLU 213 7.718 26.941 26.496 779 HA GLU 213 HA GLU 213 6.029 26.156 24.441 780 HB2 GLU 213 HB2 GLU 213 8.006 24.911 24.832 781 HB3 GLU 213 HB1 GLU 213 7.579 24.567 26.497 782 HG2 GLU 213 HG2 GLU 213 5.851 23.475 24.272 783 HG3 GLU 213 HG1 GLU 213 7.381 22.688 24.636 784 H SER 214 HN SER 214 5.428 25.789 27.977 785 HA SER 214 HA SER 214 3.062 24.243 27.644 786 HB2 SER 214 HB2 SER 214 4.329 24.344 29.786 787 HB3 SER 214 HB1 SER 214 3.811 26.012 30.004 788 HG SER 214 HG SER 214 2.009 23.832 29.741 789 H HIS 215 HN HIS 215 3.660 27.740 27.785 790 HA HIS 215 HA HIS 215 0.843 28.443 27.540 791 HB2 HIS 215 HB2 HIS 215 3.411 30.047 27.711 792 HB3 HIS 215 HB1 HIS 215 1.905 30.818 27.223 793 HD1 HIS 215 HD1 HIS 215 3.817 30.038 30.192 794 HD2 HIS 215 HD2 HIS 215 -0.215 30.439 29.265 795 HE1 HIS 215 HE1 HIS 215 2.645 30.392 32.380 796 HE2 HIS 215 HE2 HIS 215 0.202 30.503 31.802 797 H ILE 216 HN ILE 216 3.332 27.505 25.407 798 HA ILE 216 HA ILE 216 2.405 28.820 23.062 799 HB ILE 216 HB ILE 216 4.641 27.134 23.590 800 HG12 ILE 216 HG12 ILE 216 4.652 29.056 22.060 801 HG13 ILE 216 HG11 ILE 216 5.350 27.645 21.284 802 HG21 ILE 216 HG21 ILE 216 4.654 25.341 21.898 803 HG22 ILE 216 HG22 ILE 216 2.976 25.700 21.486 804 HG23 ILE 216 HG23 ILE 216 3.371 25.075 23.084 805 HD11 ILE 216 HD11 ILE 216 3.299 27.294 20.059 806 HD12 ILE 216 HD12 ILE 216 3.969 28.898 19.784 807 HD13 ILE 216 HD13 ILE 216 2.576 28.700 20.847 808 H ASN 217 HN ASN 217 1.737 25.699 24.606 809 HA ASN 217 HA ASN 217 -0.109 24.830 22.593 810 HB2 ASN 217 HB2 ASN 217 0.576 23.744 25.345 811 HB3 ASN 217 HB1 ASN 217 -0.635 22.993 24.305 812 HD21 ASN 217 HD21 ASN 217 2.764 23.447 24.852 813 HD22 ASN 217 HD22 ASN 217 3.305 22.419 23.575 814 H LYS 218 HN LYS 218 -0.476 26.516 25.695 815 HA LYS 218 HA LYS 218 -3.332 26.456 25.730 816 HB2 LYS 218 HB2 LYS 218 -2.148 27.032 27.764 817 HB3 LYS 218 HB1 LYS 218 -1.358 28.401 26.994 818 HG2 LYS 218 HG2 LYS 218 -3.160 29.125 28.532 819 HG3 LYS 218 HG1 LYS 218 -3.490 29.615 26.871 820 HD2 LYS 218 HD2 LYS 218 -5.566 28.823 27.852 821 HD3 LYS 218 HD1 LYS 218 -5.056 27.641 26.647 822 HE2 LYS 218 HE2 LYS 218 -5.875 26.474 28.620 823 HE3 LYS 218 HE1 LYS 218 -4.130 26.226 28.509 824 HZ1 LYS 218 HZ1 LYS 218 -3.843 28.005 30.140 825 HZ2 LYS 218 HZ2 LYS 218 -4.773 26.736 30.754 826 HZ3 LYS 218 HZ3 LYS 218 -5.523 28.171 30.268 827 H HIS 219 HN HIS 219 -1.034 28.935 24.500 828 HA HIS 219 HA HIS 219 -2.881 30.822 23.564 829 HB2 HIS 219 HB2 HIS 219 -0.087 30.664 23.540 830 HB3 HIS 219 HB1 HIS 219 -0.452 30.589 21.829 831 HD2 HIS 219 HD2 HIS 219 -1.332 32.970 24.846 832 HE1 HIS 219 HE1 HIS 219 -0.726 35.298 21.386 833 HE2 HIS 219 HE2 HIS 219 -0.941 35.329 23.894 834 H LEU 220 HN LEU 220 -1.384 28.060 21.987 835 HA LEU 220 HA LEU 220 -2.584 28.407 19.436 836 HB2 LEU 220 HB2 LEU 220 -1.161 26.104 20.765 837 HB3 LEU 220 HB1 LEU 220 -1.859 25.935 19.157 838 HG LEU 220 HG LEU 220 0.220 28.035 19.887 839 HD11 LEU 220 HD11 LEU 220 1.163 25.794 20.100 840 HD12 LEU 220 HD12 LEU 220 1.839 26.655 18.723 841 HD13 LEU 220 HD13 LEU 220 0.628 25.400 18.463 842 HD21 LEU 220 HD21 LEU 220 0.408 28.383 17.474 843 HD22 LEU 220 HD22 LEU 220 -1.245 28.670 17.998 844 HD23 LEU 220 HD23 LEU 220 -0.836 27.168 17.170 845 H ASP 221 HN ASP 221 -3.565 26.607 22.333 846 HA ASP 221 HA ASP 221 -5.589 25.025 21.178 847 HB2 ASP 221 HB2 ASP 221 -4.693 24.944 23.592 848 HB3 ASP 221 HB1 ASP 221 -5.769 26.287 23.953 849 H SER 222 HN SER 222 -5.512 28.407 22.097 850 HA SER 222 HA SER 222 -8.309 28.898 21.338 851 HB2 SER 222 HB2 SER 222 -7.324 30.064 23.292 852 HB3 SER 222 HB1 SER 222 -6.136 30.838 22.245 853 HG SER 222 HG SER 222 -8.710 31.201 21.381 854 H CYS 223 HN CYS 223 -5.055 29.397 20.002 855 HA CYS 223 HA CYS 223 -5.806 31.345 18.036 856 HB2 CYS 223 HB2 CYS 223 -3.219 29.838 18.522 857 HB3 CYS 223 HB1 CYS 223 -3.416 30.960 17.189 858 H LEU 224 HN LEU 224 -5.631 27.852 18.065 859 HA LEU 224 HA LEU 224 -5.370 27.505 15.203 860 HB2 LEU 224 HB2 LEU 224 -5.657 25.091 15.637 861 HB3 LEU 224 HB1 LEU 224 -4.444 25.807 16.675 862 HG LEU 224 HG LEU 224 -6.229 25.816 18.539 863 HD11 LEU 224 HD11 LEU 224 -8.270 25.423 17.280 864 HD12 LEU 224 HD12 LEU 224 -8.006 24.110 18.423 865 HD13 LEU 224 HD13 LEU 224 -7.657 23.869 16.709 866 HD21 LEU 224 HD21 LEU 224 -4.316 24.301 18.527 867 HD22 LEU 224 HD22 LEU 224 -5.205 23.153 17.522 868 HD23 LEU 224 HD23 LEU 224 -5.747 23.496 19.165 869 H SER 225 HN SER 225 -7.908 28.368 17.239 870 HA SER 225 HA SER 225 -10.149 27.232 15.963 871 HB2 SER 225 HB2 SER 225 -10.271 28.264 18.209 872 HB3 SER 225 HB1 SER 225 -9.925 29.848 17.517 873 HG SER 225 HG SER 225 -12.102 28.369 16.540 874 H ARG 226 HN ARG 226 -9.592 27.349 13.768 875 HA ARG 226 HA ARG 226 -9.267 29.811 12.317 876 HB2 ARG 226 HB2 ARG 226 -8.311 27.541 11.643 877 HB3 ARG 226 HB1 ARG 226 -9.948 27.016 11.267 878 HG2 ARG 226 HG2 ARG 226 -8.853 27.623 9.207 879 HG3 ARG 226 HG1 ARG 226 -10.084 28.842 9.545 880 HD2 ARG 226 HD2 ARG 226 -8.289 30.317 10.496 881 HD3 ARG 226 HD1 ARG 226 -7.092 29.110 10.013 882 HE ARG 226 HE ARG 226 -8.853 30.171 7.933 883 HH11 ARG 226 HH11 ARG 226 -5.633 30.183 9.356 884 HH12 ARG 226 HH12 ARG 226 -4.933 31.077 8.049 885 HH21 ARG 226 HH21 ARG 226 -7.930 31.353 6.248 886 HH22 ARG 226 HH22 ARG 226 -6.244 31.765 6.297 887 H GLU 227 HN GLU 227 -11.844 27.706 13.264 888 HA GLU 227 HA GLU 227 -13.918 29.210 11.791 889 HB2 GLU 227 HB2 GLU 227 -14.126 26.585 13.342 890 HB3 GLU 227 HB1 GLU 227 -15.365 27.293 12.304 891 HG2 GLU 227 HG2 GLU 227 -13.916 26.968 10.331 892 HG3 GLU 227 HG1 GLU 227 -12.650 26.310 11.366 Start of MODEL 12 1 H1 GLY -2 HT1 GLY -2 2.480 2.634 -0.485 2 H2 GLY -2 HT2 GLY -2 0.848 2.999 -0.240 3 H3 GLY -2 HT3 GLY -2 2.034 4.149 0.118 4 HA2 GLY -2 HA1 GLY -2 1.404 3.103 -2.577 5 HA3 GLY -2 HA2 GLY -2 0.900 4.663 -1.943 6 H SER -1 HN SER -1 2.045 6.122 -3.095 7 HA SER -1 HA SER -1 4.913 5.757 -3.641 8 HB2 SER -1 HB2 SER -1 4.546 7.816 -5.092 9 HB3 SER -1 HB1 SER -1 3.588 6.413 -5.563 10 HG SER -1 HG SER -1 2.400 8.169 -3.750 11 H HIS 0 HN HIS 0 6.159 6.369 -1.905 12 HA HIS 0 HA HIS 0 5.259 8.299 0.021 13 HB2 HIS 0 HB2 HIS 0 7.346 7.835 1.235 14 HB3 HIS 0 HB1 HIS 0 6.507 6.364 0.793 15 HD1 HIS 0 HD1 HIS 0 7.731 4.737 -0.776 16 HD2 HIS 0 HD2 HIS 0 9.919 8.159 0.078 17 HE1 HIS 0 HE1 HIS 0 10.072 4.228 -1.482 18 HE2 HIS 0 HE2 HIS 0 11.401 6.269 -0.860 19 H MET 1 HN MET 1 5.069 10.298 -0.783 20 HA MET 1 HA MET 1 7.262 11.695 -2.136 21 HB2 MET 1 HB2 MET 1 4.558 12.791 -1.245 22 HB3 MET 1 HB1 MET 1 5.695 13.573 -2.334 23 HG2 MET 1 HG2 MET 1 4.192 11.007 -2.901 24 HG3 MET 1 HG1 MET 1 3.815 12.604 -3.561 25 HE1 MET 1 HE1 MET 1 3.865 11.342 -5.993 26 HE2 MET 1 HE2 MET 1 4.380 9.833 -5.237 27 HE3 MET 1 HE3 MET 1 5.290 10.495 -6.593 28 H GLN 2 HN GLN 2 8.050 13.740 -1.246 29 HA GLN 2 HA GLN 2 8.412 13.561 1.659 30 HB2 GLN 2 HB2 GLN 2 10.132 14.851 -0.479 31 HB3 GLN 2 HB1 GLN 2 10.379 15.154 1.237 32 HG2 GLN 2 HG2 GLN 2 11.894 13.462 0.923 33 HG3 GLN 2 HG1 GLN 2 10.497 12.504 1.380 34 HE21 GLN 2 HE21 GLN 2 12.817 11.677 -0.095 35 HE22 GLN 2 HE22 GLN 2 12.275 11.116 -1.629 36 H ILE 3 HN ILE 3 7.811 15.088 3.016 37 HA ILE 3 HA ILE 3 7.144 17.808 2.076 38 HB ILE 3 HB ILE 3 5.232 17.953 3.730 39 HG12 ILE 3 HG12 ILE 3 5.854 15.882 5.090 40 HG13 ILE 3 HG11 ILE 3 4.150 16.009 4.679 41 HG21 ILE 3 HG21 ILE 3 4.744 17.780 1.359 42 HG22 ILE 3 HG22 ILE 3 3.528 16.898 2.285 43 HG23 ILE 3 HG23 ILE 3 4.800 16.016 1.437 44 HD11 ILE 3 HD11 ILE 3 6.157 14.234 3.275 45 HD12 ILE 3 HD12 ILE 3 4.430 14.335 2.919 46 HD13 ILE 3 HD13 ILE 3 4.974 13.717 4.476 47 H PHE 4 HN PHE 4 7.177 19.376 3.855 48 HA PHE 4 HA PHE 4 9.393 18.675 5.723 49 HB2 PHE 4 HB2 PHE 4 8.875 21.332 4.302 50 HB3 PHE 4 HB1 PHE 4 10.216 20.993 5.395 51 HD1 PHE 4 HD1 PHE 4 11.982 19.317 4.715 52 HD2 PHE 4 HD2 PHE 4 8.974 20.647 1.975 53 HE1 PHE 4 HE1 PHE 4 13.304 18.452 2.837 54 HE2 PHE 4 HE2 PHE 4 10.310 19.782 0.101 55 HZ PHE 4 HZ PHE 4 12.470 18.679 0.529 56 H VAL 5 HN VAL 5 8.366 18.353 7.600 57 HA VAL 5 HA VAL 5 6.405 20.320 8.617 58 HB VAL 5 HB VAL 5 7.145 17.514 9.623 59 HG11 VAL 5 HG11 VAL 5 4.972 19.421 10.626 60 HG12 VAL 5 HG12 VAL 5 6.439 18.964 11.489 61 HG13 VAL 5 HG13 VAL 5 5.205 17.752 11.164 62 HG21 VAL 5 HG21 VAL 5 4.600 18.502 8.230 63 HG22 VAL 5 HG22 VAL 5 4.878 16.864 8.829 64 HG23 VAL 5 HG23 VAL 5 5.851 17.496 7.502 65 H LYS 6 HN LYS 6 7.537 21.948 9.449 66 HA LYS 6 HA LYS 6 10.142 21.564 10.730 67 HB2 LYS 6 HB2 LYS 6 9.701 23.250 8.854 68 HB3 LYS 6 HB1 LYS 6 8.741 24.174 10.012 69 HG2 LYS 6 HG2 LYS 6 10.722 24.450 11.452 70 HG3 LYS 6 HG1 LYS 6 11.685 23.493 10.320 71 HD2 LYS 6 HD2 LYS 6 11.114 25.244 8.545 72 HD3 LYS 6 HD1 LYS 6 10.457 26.234 9.853 73 HE2 LYS 6 HE2 LYS 6 12.670 26.172 10.975 74 HE3 LYS 6 HE1 LYS 6 13.301 25.212 9.632 75 HZ1 LYS 6 HZ1 LYS 6 12.893 27.040 8.145 76 HZ2 LYS 6 HZ2 LYS 6 13.842 27.576 9.438 77 HZ3 LYS 6 HZ3 LYS 6 12.197 27.959 9.380 78 H THR 7 HN THR 7 10.294 21.531 12.870 79 HA THR 7 HA THR 7 8.191 22.145 14.670 80 HB THR 7 HB THR 7 9.974 21.825 16.464 81 HG1 THR 7 HG1 THR 7 11.754 20.817 14.584 82 HG21 THR 7 HG21 THR 7 8.660 19.908 15.740 83 HG22 THR 7 HG22 THR 7 10.328 19.408 16.017 84 HG23 THR 7 HG23 THR 7 9.738 19.646 14.372 85 H LEU 8 HN LEU 8 8.514 23.556 16.543 86 HA LEU 8 HA LEU 8 8.786 26.286 15.827 87 HB2 LEU 8 HB2 LEU 8 8.730 25.093 18.619 88 HB3 LEU 8 HB1 LEU 8 8.303 26.737 18.167 89 HG LEU 8 HG LEU 8 6.757 24.229 17.431 90 HD11 LEU 8 HD11 LEU 8 5.023 25.104 18.932 91 HD12 LEU 8 HD12 LEU 8 6.078 26.446 19.378 92 HD13 LEU 8 HD13 LEU 8 6.530 24.789 19.789 93 HD21 LEU 8 HD21 LEU 8 6.559 25.860 15.628 94 HD22 LEU 8 HD22 LEU 8 6.131 27.125 16.783 95 HD23 LEU 8 HD23 LEU 8 5.040 25.761 16.519 96 H THR 9 HN THR 9 11.089 23.955 16.930 97 HA THR 9 HA THR 9 12.994 25.799 18.104 98 HB THR 9 HB THR 9 14.490 23.766 18.175 99 HG1 THR 9 HG1 THR 9 13.217 21.742 17.609 100 HG21 THR 9 HG21 THR 9 12.951 24.185 20.066 101 HG22 THR 9 HG22 THR 9 13.138 22.453 19.787 102 HG23 THR 9 HG23 THR 9 11.678 23.281 19.242 103 H GLY 10 HN GLY 10 12.080 25.184 14.947 104 HA2 GLY 10 HA2 GLY 10 12.943 26.251 13.053 105 HA3 GLY 10 HA1 GLY 10 14.499 26.430 13.850 106 H LYS 11 HN LYS 11 13.313 23.321 14.272 107 HA LYS 11 HA LYS 11 15.269 22.204 12.400 108 HB2 LYS 11 HB2 LYS 11 15.600 21.163 14.412 109 HB3 LYS 11 HB1 LYS 11 13.936 21.343 14.945 110 HG2 LYS 11 HG2 LYS 11 13.289 19.440 13.530 111 HG3 LYS 11 HG1 LYS 11 14.966 19.252 12.992 112 HD2 LYS 11 HD2 LYS 11 15.618 18.871 15.404 113 HD3 LYS 11 HD1 LYS 11 13.908 18.939 15.838 114 HE2 LYS 11 HE2 LYS 11 14.623 16.623 15.664 115 HE3 LYS 11 HE1 LYS 11 13.484 16.988 14.367 116 HZ1 LYS 11 HZ1 LYS 11 15.318 17.216 12.849 117 HZ2 LYS 11 HZ2 LYS 11 15.387 15.709 13.602 118 HZ3 LYS 11 HZ3 LYS 11 16.436 16.944 14.086 119 H THR 12 HN THR 12 14.729 20.878 10.732 120 HA THR 12 HA THR 12 11.876 20.877 9.898 121 HB THR 12 HB THR 12 14.369 20.686 8.164 122 HG1 THR 12 HG1 THR 12 14.241 22.785 8.782 123 HG21 THR 12 HG21 THR 12 12.458 19.529 7.115 124 HG22 THR 12 HG22 THR 12 12.784 21.037 6.261 125 HG23 THR 12 HG23 THR 12 11.427 20.934 7.386 126 H ILE 13 HN ILE 13 10.885 19.029 9.693 127 HA ILE 13 HA ILE 13 12.357 16.456 9.732 128 HB ILE 13 HB ILE 13 9.513 17.045 10.641 129 HG12 ILE 13 HG12 ILE 13 10.623 16.091 12.876 130 HG13 ILE 13 HG11 ILE 13 12.130 16.545 12.098 131 HG21 ILE 13 HG21 ILE 13 9.414 14.679 11.354 132 HG22 ILE 13 HG22 ILE 13 10.999 14.396 10.630 133 HG23 ILE 13 HG23 ILE 13 9.628 14.825 9.610 134 HD11 ILE 13 HD11 ILE 13 9.864 18.417 12.730 135 HD12 ILE 13 HD12 ILE 13 11.409 18.858 12.001 136 HD13 ILE 13 HD13 ILE 13 11.357 18.238 13.650 137 H THR 14 HN THR 14 12.587 15.648 7.770 138 HA THR 14 HA THR 14 10.664 16.072 5.620 139 HB THR 14 HB THR 14 13.235 14.423 5.651 140 HG1 THR 14 HG1 THR 14 14.082 16.305 4.547 141 HG21 THR 14 HG21 THR 14 13.146 14.601 3.173 142 HG22 THR 14 HG22 THR 14 11.600 15.446 3.282 143 HG23 THR 14 HG23 THR 14 11.727 13.760 3.790 144 H LEU 15 HN LEU 15 8.924 14.759 5.493 145 HA LEU 15 HA LEU 15 9.014 11.981 6.536 146 HB2 LEU 15 HB2 LEU 15 6.538 13.606 5.787 147 HB3 LEU 15 HB1 LEU 15 6.553 12.014 6.519 148 HG LEU 15 HG LEU 15 5.982 13.506 8.269 149 HD11 LEU 15 HD11 LEU 15 7.688 11.837 8.899 150 HD12 LEU 15 HD12 LEU 15 7.760 13.291 9.881 151 HD13 LEU 15 HD13 LEU 15 8.955 13.031 8.605 152 HD21 LEU 15 HD21 LEU 15 6.628 15.600 7.161 153 HD22 LEU 15 HD22 LEU 15 8.327 15.265 7.506 154 HD23 LEU 15 HD23 LEU 15 7.192 15.536 8.831 155 H GLU 16 HN GLU 16 7.863 10.382 5.277 156 HA GLU 16 HA GLU 16 7.926 10.835 2.352 157 HB2 GLU 16 HB2 GLU 16 9.040 8.460 3.917 158 HB3 GLU 16 HB1 GLU 16 8.856 8.490 2.164 159 HG2 GLU 16 HG2 GLU 16 10.494 10.230 1.920 160 HG3 GLU 16 HG1 GLU 16 10.531 10.531 3.657 161 H VAL 17 HN VAL 17 5.674 11.190 2.544 162 HA VAL 17 HA VAL 17 4.000 8.757 2.706 163 HB VAL 17 HB VAL 17 2.313 9.717 4.106 164 HG11 VAL 17 HG11 VAL 17 4.907 10.655 5.386 165 HG12 VAL 17 HG12 VAL 17 4.235 9.026 5.476 166 HG13 VAL 17 HG13 VAL 17 3.378 10.372 6.228 167 HG21 VAL 17 HG21 VAL 17 2.156 11.940 3.084 168 HG22 VAL 17 HG22 VAL 17 3.652 12.434 3.871 169 HG23 VAL 17 HG23 VAL 17 2.225 12.087 4.841 170 H GLU 18 HN GLU 18 1.684 9.424 1.807 171 HA GLU 18 HA GLU 18 2.078 11.062 -0.610 172 HB2 GLU 18 HB2 GLU 18 -0.501 9.614 0.089 173 HB3 GLU 18 HB1 GLU 18 0.109 10.064 -1.497 174 HG2 GLU 18 HG2 GLU 18 1.977 8.398 -1.157 175 HG3 GLU 18 HG1 GLU 18 1.149 7.885 0.302 176 HA PRO 19 HA PRO 19 -0.175 14.666 1.177 177 HB2 PRO 19 HB2 PRO 19 -1.196 15.526 -1.318 178 HB3 PRO 19 HB1 PRO 19 0.307 16.062 -0.579 179 HG2 PRO 19 HG2 PRO 19 -0.131 13.971 -2.679 180 HG3 PRO 19 HG1 PRO 19 1.210 15.123 -2.509 181 HD2 PRO 19 HD2 PRO 19 1.498 12.518 -1.873 182 HD3 PRO 19 HD1 PRO 19 2.310 13.781 -0.928 183 H SER 20 HN SER 20 -1.496 12.166 -0.889 184 HA SER 20 HA SER 20 -4.298 12.869 -0.323 185 HB2 SER 20 HB2 SER 20 -3.558 12.334 -2.667 186 HB3 SER 20 HB1 SER 20 -3.119 10.710 -2.147 187 HG SER 20 HG SER 20 -5.259 10.271 -1.773 188 H ASP 21 HN ASP 21 -2.013 11.306 1.413 189 HA ASP 21 HA ASP 21 -3.309 8.752 1.864 190 HB2 ASP 21 HB2 ASP 21 -0.818 8.996 1.794 191 HB3 ASP 21 HB1 ASP 21 -0.890 9.908 3.300 192 H THR 22 HN THR 22 -2.030 10.708 4.581 193 HA THR 22 HA THR 22 -4.385 11.808 5.584 194 HB THR 22 HB THR 22 -5.218 9.509 5.949 195 HG1 THR 22 HG1 THR 22 -5.826 11.115 7.454 196 HG21 THR 22 HG21 THR 22 -3.080 8.304 6.275 197 HG22 THR 22 HG22 THR 22 -4.201 7.989 7.598 198 HG23 THR 22 HG23 THR 22 -2.859 9.109 7.835 199 H ILE 23 HN ILE 23 -4.095 12.884 7.584 200 HA ILE 23 HA ILE 23 -1.479 13.798 8.182 201 HB ILE 23 HB ILE 23 -4.084 14.161 9.749 202 HG12 ILE 23 HG12 ILE 23 -4.273 15.111 7.476 203 HG13 ILE 23 HG11 ILE 23 -4.253 16.397 8.669 204 HG21 ILE 23 HG21 ILE 23 -3.041 16.130 10.839 205 HG22 ILE 23 HG22 ILE 23 -1.505 15.749 10.057 206 HG23 ILE 23 HG23 ILE 23 -2.197 14.631 11.231 207 HD11 ILE 23 HD11 ILE 23 -1.939 15.555 6.928 208 HD12 ILE 23 HD12 ILE 23 -1.897 16.839 8.141 209 HD13 ILE 23 HD13 ILE 23 -2.942 16.992 6.729 210 H GLU 24 HN GLU 24 -3.633 11.432 9.628 211 HA GLU 24 HA GLU 24 -2.455 11.024 12.137 212 HB2 GLU 24 HB2 GLU 24 -4.693 10.093 10.971 213 HB3 GLU 24 HB1 GLU 24 -3.688 8.702 10.621 214 HG2 GLU 24 HG2 GLU 24 -4.284 9.808 13.383 215 HG3 GLU 24 HG1 GLU 24 -5.070 8.415 12.651 216 H ASN 25 HN ASN 25 -1.725 9.691 8.972 217 HA ASN 25 HA ASN 25 0.296 7.829 9.797 218 HB2 ASN 25 HB2 ASN 25 -1.003 7.728 7.640 219 HB3 ASN 25 HB1 ASN 25 -0.103 9.112 7.065 220 HD21 ASN 25 HD21 ASN 25 1.973 8.809 6.323 221 HD22 ASN 25 HD22 ASN 25 2.717 7.260 6.146 222 H VAL 26 HN VAL 26 0.274 11.112 8.463 223 HA VAL 26 HA VAL 26 3.015 11.569 8.119 224 HB VAL 26 HB VAL 26 0.950 13.664 8.977 225 HG11 VAL 26 HG11 VAL 26 3.627 14.069 7.569 226 HG12 VAL 26 HG12 VAL 26 3.255 14.516 9.233 227 HG13 VAL 26 HG13 VAL 26 2.441 15.336 7.903 228 HG21 VAL 26 HG21 VAL 26 1.772 12.833 6.174 229 HG22 VAL 26 HG22 VAL 26 0.672 14.151 6.577 230 HG23 VAL 26 HG23 VAL 26 0.225 12.489 6.948 231 H LYS 27 HN LYS 27 1.005 12.127 11.025 232 HA LYS 27 HA LYS 27 3.077 13.315 12.585 233 HB2 LYS 27 HB2 LYS 27 1.527 13.253 14.445 234 HB3 LYS 27 HB1 LYS 27 0.701 13.789 12.992 235 HG2 LYS 27 HG2 LYS 27 -0.310 11.531 12.758 236 HG3 LYS 27 HG1 LYS 27 0.486 11.042 14.257 237 HD2 LYS 27 HD2 LYS 27 -1.820 11.651 14.744 238 HD3 LYS 27 HD1 LYS 27 -0.742 12.842 15.473 239 HE2 LYS 27 HE2 LYS 27 -1.161 14.305 13.435 240 HE3 LYS 27 HE1 LYS 27 -2.403 13.149 12.954 241 HZ1 LYS 27 HZ1 LYS 27 -3.374 14.989 14.152 242 HZ2 LYS 27 HZ2 LYS 27 -2.361 14.724 15.473 243 HZ3 LYS 27 HZ3 LYS 27 -3.536 13.578 15.072 244 H ALA 28 HN ALA 28 1.842 10.019 12.239 245 HA ALA 28 HA ALA 28 3.390 8.726 14.209 246 HB1 ALA 28 HB1 ALA 28 3.045 6.690 12.860 247 HB2 ALA 28 HB2 ALA 28 2.512 7.672 11.491 248 HB3 ALA 28 HB3 ALA 28 1.559 7.633 12.975 249 H LYS 29 HN LYS 29 4.211 9.880 10.985 250 HA LYS 29 HA LYS 29 6.785 8.596 10.892 251 HB2 LYS 29 HB2 LYS 29 5.743 10.824 9.101 252 HB3 LYS 29 HB1 LYS 29 7.144 9.805 8.790 253 HG2 LYS 29 HG2 LYS 29 4.240 8.983 8.811 254 HG3 LYS 29 HG1 LYS 29 5.331 9.037 7.429 255 HD2 LYS 29 HD2 LYS 29 6.557 7.134 8.186 256 HD3 LYS 29 HD1 LYS 29 5.844 7.212 9.800 257 HE2 LYS 29 HE2 LYS 29 3.637 6.627 8.835 258 HE3 LYS 29 HE1 LYS 29 4.384 6.499 7.242 259 HZ1 LYS 29 HZ1 LYS 29 5.695 4.676 7.972 260 HZ2 LYS 29 HZ2 LYS 29 4.099 4.353 8.433 261 HZ3 LYS 29 HZ3 LYS 29 5.221 4.884 9.581 262 H ILE 30 HN ILE 30 5.675 11.906 11.843 263 HA ILE 30 HA ILE 30 8.231 13.043 12.211 264 HB ILE 30 HB ILE 30 5.585 13.551 13.624 265 HG12 ILE 30 HG12 ILE 30 6.128 15.964 12.665 266 HG13 ILE 30 HG11 ILE 30 7.307 15.120 11.672 267 HG21 ILE 30 HG21 ILE 30 6.568 15.432 14.911 268 HG22 ILE 30 HG22 ILE 30 8.179 14.932 14.391 269 HG23 ILE 30 HG23 ILE 30 7.214 13.869 15.415 270 HD11 ILE 30 HD11 ILE 30 5.521 13.794 10.683 271 HD12 ILE 30 HD12 ILE 30 5.253 15.527 10.479 272 HD13 ILE 30 HD13 ILE 30 4.343 14.632 11.696 273 H GLN 31 HN GLN 31 6.267 11.030 14.387 274 HA GLN 31 HA GLN 31 8.094 10.792 16.521 275 HB2 GLN 31 HB2 GLN 31 5.711 10.173 16.695 276 HB3 GLN 31 HB1 GLN 31 5.956 8.835 15.578 277 HG2 GLN 31 HG2 GLN 31 7.479 7.762 17.214 278 HG3 GLN 31 HG1 GLN 31 7.221 9.102 18.324 279 HE21 GLN 31 HE21 GLN 31 4.593 7.714 16.394 280 HE22 GLN 31 HE22 GLN 31 3.742 7.049 17.740 281 H ASP 32 HN ASP 32 7.860 9.076 13.461 282 HA ASP 32 HA ASP 32 9.816 7.058 13.998 283 HB2 ASP 32 HB2 ASP 32 8.267 6.582 12.260 284 HB3 ASP 32 HB1 ASP 32 8.498 8.146 11.492 285 H LYS 33 HN LYS 33 10.031 10.407 12.869 286 HA LYS 33 HA LYS 33 12.746 10.038 11.806 287 HB2 LYS 33 HB2 LYS 33 10.976 12.515 11.826 288 HB3 LYS 33 HB1 LYS 33 12.551 12.409 11.048 289 HG2 LYS 33 HG2 LYS 33 10.138 10.740 10.299 290 HG3 LYS 33 HG1 LYS 33 10.631 12.218 9.473 291 HD2 LYS 33 HD2 LYS 33 12.713 11.172 8.765 292 HD3 LYS 33 HD1 LYS 33 12.332 9.706 9.681 293 HE2 LYS 33 HE2 LYS 33 10.328 9.355 8.233 294 HE3 LYS 33 HE1 LYS 33 10.775 10.786 7.299 295 HZ1 LYS 33 HZ1 LYS 33 12.386 8.308 7.573 296 HZ2 LYS 33 HZ2 LYS 33 12.844 9.675 6.697 297 HZ3 LYS 33 HZ3 LYS 33 11.502 8.770 6.205 298 H GLU 34 HN GLU 34 11.252 12.506 13.982 299 HA GLU 34 HA GLU 34 13.878 13.012 15.162 300 HB2 GLU 34 HB2 GLU 34 12.862 14.941 16.260 301 HB3 GLU 34 HB1 GLU 34 12.568 14.957 14.531 302 HG2 GLU 34 HG2 GLU 34 10.259 14.334 14.841 303 HG3 GLU 34 HG1 GLU 34 10.515 14.050 16.563 304 H GLY 35 HN GLY 35 10.928 11.364 15.980 305 HA2 GLY 35 HA2 GLY 35 10.955 9.571 17.527 306 HA3 GLY 35 HA1 GLY 35 12.238 10.356 18.429 307 H ILE 36 HN ILE 36 9.622 12.408 17.532 308 HA ILE 36 HA ILE 36 8.809 12.532 20.363 309 HB ILE 36 HB ILE 36 8.723 14.629 18.154 310 HG12 ILE 36 HG12 ILE 36 9.806 16.054 19.998 311 HG13 ILE 36 HG11 ILE 36 9.874 14.610 20.996 312 HG21 ILE 36 HG21 ILE 36 6.486 14.704 19.168 313 HG22 ILE 36 HG22 ILE 36 7.408 16.127 19.656 314 HG23 ILE 36 HG23 ILE 36 7.193 14.784 20.784 315 HD11 ILE 36 HD11 ILE 36 11.326 15.063 18.398 316 HD12 ILE 36 HD12 ILE 36 11.390 13.580 19.353 317 HD13 ILE 36 HD13 ILE 36 12.019 15.088 20.017 318 HA PRO 37 HA PRO 37 5.208 10.233 19.088 319 HB2 PRO 37 HB2 PRO 37 3.819 10.238 21.435 320 HB3 PRO 37 HB1 PRO 37 5.325 9.332 21.240 321 HG2 PRO 37 HG2 PRO 37 4.903 12.058 22.467 322 HG3 PRO 37 HG1 PRO 37 5.832 10.680 23.103 323 HD2 PRO 37 HD2 PRO 37 7.020 12.749 21.806 324 HD3 PRO 37 HD1 PRO 37 7.646 11.094 21.690 325 HA PRO 38 HA PRO 38 2.080 12.950 17.489 326 HB2 PRO 38 HB2 PRO 38 -0.263 11.466 17.797 327 HB3 PRO 38 HB1 PRO 38 0.948 11.184 16.538 328 HG2 PRO 38 HG2 PRO 38 0.678 9.832 19.226 329 HG3 PRO 38 HG1 PRO 38 0.909 9.093 17.623 330 HD2 PRO 38 HD2 PRO 38 2.994 9.371 19.241 331 HD3 PRO 38 HD1 PRO 38 3.184 9.766 17.516 332 H ASP 39 HN ASP 39 1.827 12.030 20.815 333 HA ASP 39 HA ASP 39 -0.294 13.905 21.466 334 HB2 ASP 39 HB2 ASP 39 0.147 11.851 22.839 335 HB3 ASP 39 HB1 ASP 39 1.690 12.539 23.348 336 H GLN 40 HN GLN 40 3.259 13.835 21.718 337 HA GLN 40 HA GLN 40 3.430 16.411 23.041 338 HB2 GLN 40 HB2 GLN 40 5.414 14.299 22.217 339 HB3 GLN 40 HB1 GLN 40 6.025 15.930 22.435 340 HG2 GLN 40 HG2 GLN 40 6.290 14.515 24.448 341 HG3 GLN 40 HG1 GLN 40 5.333 15.960 24.740 342 HE21 GLN 40 HE21 GLN 40 5.251 12.497 24.512 343 HE22 GLN 40 HE22 GLN 40 3.688 12.277 25.215 344 H GLN 41 HN GLN 41 3.686 15.206 19.803 345 HA GLN 41 HA GLN 41 4.463 17.851 18.768 346 HB2 GLN 41 HB2 GLN 41 4.751 16.712 16.614 347 HB3 GLN 41 HB1 GLN 41 5.681 15.948 17.881 348 HG2 GLN 41 HG2 GLN 41 4.908 14.071 16.861 349 HG3 GLN 41 HG1 GLN 41 3.568 14.323 17.962 350 HE21 GLN 41 HE21 GLN 41 4.643 14.823 14.682 351 HE22 GLN 41 HE22 GLN 41 3.088 14.875 13.958 352 H ARG 42 HN ARG 42 3.112 18.997 17.319 353 HA ARG 42 HA ARG 42 0.282 18.171 17.082 354 HB2 ARG 42 HB2 ARG 42 0.840 19.750 19.087 355 HB3 ARG 42 HB1 ARG 42 1.121 20.994 17.877 356 HG2 ARG 42 HG2 ARG 42 -1.211 20.849 17.141 357 HG3 ARG 42 HG1 ARG 42 -1.495 19.508 18.258 358 HD2 ARG 42 HD2 ARG 42 -0.715 21.145 20.109 359 HD3 ARG 42 HD1 ARG 42 -0.979 22.415 18.909 360 HE ARG 42 HE ARG 42 -3.289 20.878 18.966 361 HH11 ARG 42 HH11 ARG 42 -1.583 22.974 21.217 362 HH12 ARG 42 HH12 ARG 42 -3.009 23.343 22.134 363 HH21 ARG 42 HH21 ARG 42 -5.146 21.357 20.191 364 HH22 ARG 42 HH22 ARG 42 -5.026 22.413 21.562 365 H LEU 43 HN LEU 43 -0.527 18.599 15.053 366 HA LEU 43 HA LEU 43 1.355 19.672 13.061 367 HB2 LEU 43 HB2 LEU 43 -1.089 17.887 12.897 368 HB3 LEU 43 HB1 LEU 43 -0.580 18.757 11.464 369 HG LEU 43 HG LEU 43 0.276 16.480 11.399 370 HD11 LEU 43 HD11 LEU 43 2.640 16.941 10.978 371 HD12 LEU 43 HD12 LEU 43 2.539 18.446 11.899 372 HD13 LEU 43 HD13 LEU 43 1.640 18.273 10.390 373 HD21 LEU 43 HD21 LEU 43 1.700 17.106 14.004 374 HD22 LEU 43 HD22 LEU 43 1.866 15.630 13.052 375 HD23 LEU 43 HD23 LEU 43 0.322 16.017 13.804 376 H ILE 44 HN ILE 44 1.112 21.627 12.213 377 HA ILE 44 HA ILE 44 -1.522 22.896 12.009 378 HB ILE 44 HB ILE 44 0.882 24.185 13.393 379 HG12 ILE 44 HG12 ILE 44 -1.961 23.735 14.450 380 HG13 ILE 44 HG11 ILE 44 -0.605 22.673 14.796 381 HG21 ILE 44 HG21 ILE 44 -0.134 25.871 11.920 382 HG22 ILE 44 HG22 ILE 44 -0.482 26.265 13.601 383 HG23 ILE 44 HG23 ILE 44 -1.733 25.536 12.590 384 HD11 ILE 44 HD11 ILE 44 0.523 24.494 15.934 385 HD12 ILE 44 HD12 ILE 44 -1.049 24.119 16.634 386 HD13 ILE 44 HD13 ILE 44 -0.859 25.546 15.611 387 H PHE 45 HN PHE 45 -1.774 23.825 10.071 388 HA PHE 45 HA PHE 45 0.526 25.000 8.625 389 HB2 PHE 45 HB2 PHE 45 0.096 22.843 7.540 390 HB3 PHE 45 HB1 PHE 45 -1.631 23.168 7.463 391 HD1 PHE 45 HD1 PHE 45 1.684 24.254 6.106 392 HD2 PHE 45 HD2 PHE 45 -2.564 24.346 5.581 393 HE1 PHE 45 HE1 PHE 45 1.978 25.184 3.850 394 HE2 PHE 45 HE2 PHE 45 -2.258 25.268 3.330 395 HZ PHE 45 HZ PHE 45 0.006 25.688 2.456 396 H ALA 46 HN ALA 46 0.073 27.062 8.106 397 HA ALA 46 HA ALA 46 -0.973 29.026 7.694 398 HB1 ALA 46 HB1 ALA 46 -3.178 29.041 6.562 399 HB2 ALA 46 HB2 ALA 46 -3.384 27.327 6.941 400 HB3 ALA 46 HB3 ALA 46 -2.098 27.839 5.854 401 H GLY 47 HN GLY 47 -1.190 27.577 10.345 402 HA2 GLY 47 HA2 GLY 47 -1.673 28.493 12.411 403 HA3 GLY 47 HA1 GLY 47 -2.793 29.616 11.667 404 H LYS 48 HN LYS 48 -3.553 26.560 10.526 405 HA LYS 48 HA LYS 48 -5.600 26.116 12.641 406 HB2 LYS 48 HB2 LYS 48 -7.006 25.115 10.956 407 HB3 LYS 48 HB1 LYS 48 -6.415 26.635 10.300 408 HG2 LYS 48 HG2 LYS 48 -4.559 25.116 9.196 409 HG3 LYS 48 HG1 LYS 48 -5.702 23.815 9.502 410 HD2 LYS 48 HD2 LYS 48 -5.986 24.593 7.234 411 HD3 LYS 48 HD1 LYS 48 -7.413 25.061 8.170 412 HE2 LYS 48 HE2 LYS 48 -6.510 27.351 8.385 413 HE3 LYS 48 HE1 LYS 48 -5.088 26.879 7.449 414 HZ1 LYS 48 HZ1 LYS 48 -7.899 26.926 6.509 415 HZ2 LYS 48 HZ2 LYS 48 -6.601 26.336 5.608 416 HZ3 LYS 48 HZ3 LYS 48 -6.656 27.967 6.032 417 H GLN 49 HN GLN 49 -5.768 24.105 13.564 418 HA GLN 49 HA GLN 49 -3.458 22.386 13.498 419 HB2 GLN 49 HB2 GLN 49 -4.645 22.848 15.614 420 HB3 GLN 49 HB1 GLN 49 -6.103 22.084 14.991 421 HG2 GLN 49 HG2 GLN 49 -4.911 19.916 14.865 422 HG3 GLN 49 HG1 GLN 49 -3.452 20.686 15.489 423 HE21 GLN 49 HE21 GLN 49 -6.716 21.394 16.686 424 HE22 GLN 49 HE22 GLN 49 -6.492 20.670 18.236 425 H LEU 50 HN LEU 50 -3.199 20.602 12.297 426 HA LEU 50 HA LEU 50 -5.139 19.870 10.318 427 HB2 LEU 50 HB2 LEU 50 -2.544 18.417 10.887 428 HB3 LEU 50 HB1 LEU 50 -3.460 18.457 9.390 429 HG LEU 50 HG LEU 50 -1.780 20.688 10.579 430 HD11 LEU 50 HD11 LEU 50 -0.503 18.981 9.458 431 HD12 LEU 50 HD12 LEU 50 -0.483 20.471 8.519 432 HD13 LEU 50 HD13 LEU 50 -1.509 19.128 8.013 433 HD21 LEU 50 HD21 LEU 50 -3.803 21.721 9.645 434 HD22 LEU 50 HD22 LEU 50 -3.552 20.868 8.121 435 HD23 LEU 50 HD23 LEU 50 -2.394 22.084 8.655 436 H GLU 51 HN GLU 51 -6.682 18.371 10.595 437 HA GLU 51 HA GLU 51 -6.923 16.826 12.993 438 HB2 GLU 51 HB2 GLU 51 -8.914 17.811 11.980 439 HB3 GLU 51 HB1 GLU 51 -8.616 16.971 10.462 440 HG2 GLU 51 HG2 GLU 51 -8.975 14.790 11.642 441 HG3 GLU 51 HG1 GLU 51 -9.376 15.680 13.106 442 H ASP 52 HN ASP 52 -6.712 14.632 13.212 443 HA ASP 52 HA ASP 52 -4.696 13.379 11.707 444 HB2 ASP 52 HB2 ASP 52 -5.076 11.440 13.152 445 HB3 ASP 52 HB1 ASP 52 -5.087 12.925 14.088 446 H GLY 53 HN GLY 53 -8.227 12.978 11.652 447 HA2 GLY 53 HA2 GLY 53 -8.361 10.710 9.938 448 HA3 GLY 53 HA1 GLY 53 -9.667 11.830 10.291 449 H ARG 54 HN ARG 54 -8.056 14.157 9.289 450 HA ARG 54 HA ARG 54 -8.855 14.021 6.518 451 HB2 ARG 54 HB2 ARG 54 -7.506 16.189 8.164 452 HB3 ARG 54 HB1 ARG 54 -7.935 16.403 6.464 453 HG2 ARG 54 HG2 ARG 54 -10.328 15.915 7.087 454 HG3 ARG 54 HG1 ARG 54 -9.840 15.871 8.771 455 HD2 ARG 54 HD2 ARG 54 -9.157 18.183 8.693 456 HD3 ARG 54 HD1 ARG 54 -9.476 18.277 6.960 457 HE ARG 54 HE ARG 54 -11.870 17.539 7.919 458 HH11 ARG 54 HH11 ARG 54 -9.739 20.090 9.054 459 HH12 ARG 54 HH12 ARG 54 -11.037 21.178 9.408 460 HH21 ARG 54 HH21 ARG 54 -13.543 18.964 8.411 461 HH22 ARG 54 HH22 ARG 54 -13.192 20.535 9.055 462 H THR 55 HN THR 55 -7.241 15.147 4.911 463 HA THR 55 HA THR 55 -4.660 13.660 4.982 464 HB THR 55 HB THR 55 -4.645 13.889 2.481 465 HG1 THR 55 HG1 THR 55 -7.337 14.469 2.287 466 HG21 THR 55 HG21 THR 55 -6.348 12.207 1.967 467 HG22 THR 55 HG22 THR 55 -7.154 12.521 3.508 468 HG23 THR 55 HG23 THR 55 -5.533 11.822 3.485 469 H LEU 56 HN LEU 56 -2.881 14.756 3.794 470 HA LEU 56 HA LEU 56 -2.329 17.391 4.653 471 HB2 LEU 56 HB2 LEU 56 -1.155 15.736 2.384 472 HB3 LEU 56 HB1 LEU 56 -0.532 17.322 2.793 473 HG LEU 56 HG LEU 56 -0.530 14.945 4.710 474 HD11 LEU 56 HD11 LEU 56 1.880 14.768 4.252 475 HD12 LEU 56 HD12 LEU 56 1.762 16.039 3.033 476 HD13 LEU 56 HD13 LEU 56 0.939 14.497 2.786 477 HD21 LEU 56 HD21 LEU 56 1.034 16.318 6.050 478 HD22 LEU 56 HD22 LEU 56 -0.514 17.136 5.864 479 HD23 LEU 56 HD23 LEU 56 0.871 17.653 4.901 480 H SER 57 HN SER 57 -3.348 16.093 1.529 481 HA SER 57 HA SER 57 -3.565 18.431 0.058 482 HB2 SER 57 HB2 SER 57 -4.844 15.705 -0.234 483 HB3 SER 57 HB1 SER 57 -5.070 16.980 -1.430 484 HG SER 57 HG SER 57 -2.481 16.770 -0.841 485 H ASP 58 HN ASP 58 -5.782 17.051 2.396 486 HA ASP 58 HA ASP 58 -8.158 18.415 1.547 487 HB2 ASP 58 HB2 ASP 58 -8.110 16.371 3.049 488 HB3 ASP 58 HB1 ASP 58 -7.521 17.395 4.353 489 H TYR 59 HN TYR 59 -5.490 19.184 3.707 490 HA TYR 59 HA TYR 59 -6.589 21.810 4.420 491 HB2 TYR 59 HB2 TYR 59 -4.195 20.186 5.333 492 HB3 TYR 59 HB1 TYR 59 -4.296 21.902 5.701 493 HD1 TYR 59 HD1 TYR 59 -6.325 22.753 6.964 494 HD2 TYR 59 HD2 TYR 59 -5.378 18.597 6.717 495 HE1 TYR 59 HE1 TYR 59 -7.703 22.334 8.936 496 HE2 TYR 59 HE2 TYR 59 -6.763 18.181 8.693 497 HH TYR 59 HH TYR 59 -7.499 19.862 10.811 498 H ASN 60 HN ASN 60 -5.450 20.873 1.642 499 HA ASN 60 HA ASN 60 -4.525 21.846 -0.172 500 HB2 ASN 60 HB2 ASN 60 -4.505 24.355 1.564 501 HB3 ASN 60 HB1 ASN 60 -4.147 24.351 -0.158 502 HD21 ASN 60 HD21 ASN 60 -6.660 23.837 2.247 503 HD22 ASN 60 HD22 ASN 60 -7.995 24.017 1.157 504 H ILE 61 HN ILE 61 -2.887 20.531 1.824 505 HA ILE 61 HA ILE 61 -0.197 21.705 1.429 506 HB ILE 61 HB ILE 61 -0.953 19.216 3.033 507 HG12 ILE 61 HG12 ILE 61 -0.461 21.916 4.335 508 HG13 ILE 61 HG11 ILE 61 -2.067 21.448 3.793 509 HG21 ILE 61 HG21 ILE 61 1.549 20.943 3.167 510 HG22 ILE 61 HG22 ILE 61 1.434 19.331 2.461 511 HG23 ILE 61 HG23 ILE 61 1.209 19.551 4.195 512 HD11 ILE 61 HD11 ILE 61 -0.416 19.887 5.772 513 HD12 ILE 61 HD12 ILE 61 -2.089 19.562 5.283 514 HD13 ILE 61 HD13 ILE 61 -1.693 21.034 6.176 515 H GLN 62 HN GLN 62 0.805 20.993 -0.389 516 HA GLN 62 HA GLN 62 0.212 18.295 -1.465 517 HB2 GLN 62 HB2 GLN 62 1.142 19.052 -3.585 518 HB3 GLN 62 HB1 GLN 62 -0.103 20.178 -3.064 519 HG2 GLN 62 HG2 GLN 62 1.546 21.825 -2.430 520 HG3 GLN 62 HG1 GLN 62 2.861 20.676 -2.669 521 HE21 GLN 62 HE21 GLN 62 3.488 20.137 -4.779 522 HE22 GLN 62 HE22 GLN 62 3.040 21.098 -6.144 523 H LYS 63 HN LYS 63 2.342 17.511 -2.712 524 HA LYS 63 HA LYS 63 4.358 16.824 -0.896 525 HB2 LYS 63 HB2 LYS 63 5.636 16.078 -2.882 526 HB3 LYS 63 HB1 LYS 63 3.952 15.577 -2.987 527 HG2 LYS 63 HG2 LYS 63 3.526 17.549 -4.505 528 HG3 LYS 63 HG1 LYS 63 5.261 17.870 -4.494 529 HD2 LYS 63 HD2 LYS 63 3.904 15.356 -5.535 530 HD3 LYS 63 HD1 LYS 63 4.613 16.638 -6.515 531 HE2 LYS 63 HE2 LYS 63 6.841 16.107 -5.588 532 HE3 LYS 63 HE1 LYS 63 6.133 14.806 -4.626 533 HZ1 LYS 63 HZ1 LYS 63 7.098 13.940 -6.634 534 HZ2 LYS 63 HZ2 LYS 63 6.176 14.986 -7.588 535 HZ3 LYS 63 HZ3 LYS 63 5.419 13.758 -6.705 536 H GLU 64 HN GLU 64 6.316 17.668 -0.413 537 HA GLU 64 HA GLU 64 8.072 19.012 -0.148 538 HB2 GLU 64 HB2 GLU 64 7.241 20.399 -2.718 539 HB3 GLU 64 HB1 GLU 64 8.791 20.595 -1.914 540 HG2 GLU 64 HG2 GLU 64 7.765 18.028 -3.173 541 HG3 GLU 64 HG1 GLU 64 8.943 19.128 -3.891 542 H SER 65 HN SER 65 4.929 20.016 0.212 543 HA SER 65 HA SER 65 5.313 22.826 0.682 544 HB2 SER 65 HB2 SER 65 3.083 20.956 1.590 545 HB3 SER 65 HB1 SER 65 3.041 22.715 1.722 546 HG SER 65 HG SER 65 3.663 22.104 -0.779 547 H THR 66 HN THR 66 5.786 23.878 2.528 548 HA THR 66 HA THR 66 6.747 22.336 4.827 549 HB THR 66 HB THR 66 7.080 25.325 4.309 550 HG1 THR 66 HG1 THR 66 8.016 23.627 2.729 551 HG21 THR 66 HG21 THR 66 9.001 25.124 5.846 552 HG22 THR 66 HG22 THR 66 8.667 23.406 6.066 553 HG23 THR 66 HG23 THR 66 7.518 24.611 6.655 554 H LEU 67 HN LEU 67 5.828 22.456 6.772 555 HA LEU 67 HA LEU 67 3.748 24.412 7.450 556 HB2 LEU 67 HB2 LEU 67 2.361 22.585 8.471 557 HB3 LEU 67 HB1 LEU 67 2.398 22.552 6.722 558 HG LEU 67 HG LEU 67 4.246 20.732 8.298 559 HD11 LEU 67 HD11 LEU 67 1.371 20.066 7.590 560 HD12 LEU 67 HD12 LEU 67 1.997 20.333 9.218 561 HD13 LEU 67 HD13 LEU 67 2.563 18.956 8.275 562 HD21 LEU 67 HD21 LEU 67 4.078 19.286 6.306 563 HD22 LEU 67 HD22 LEU 67 4.634 20.898 5.866 564 HD23 LEU 67 HD23 LEU 67 2.963 20.430 5.552 565 H HIS 68 HN HIS 68 3.198 23.985 9.916 566 HA HIS 68 HA HIS 68 5.798 23.879 11.319 567 HB2 HIS 68 HB2 HIS 68 3.196 25.278 12.035 568 HB3 HIS 68 HB1 HIS 68 4.547 25.135 13.159 569 HD1 HIS 68 HD1 HIS 68 3.204 27.513 10.967 570 HD2 HIS 68 HD2 HIS 68 7.075 26.168 11.672 571 HE1 HIS 68 HE1 HIS 68 4.714 29.350 10.188 572 HE2 HIS 68 HE2 HIS 68 7.048 28.482 10.520 573 H LEU 69 HN LEU 69 5.911 23.054 13.425 574 HA LEU 69 HA LEU 69 4.029 20.940 14.218 575 HB2 LEU 69 HB2 LEU 69 6.028 20.107 12.809 576 HB3 LEU 69 HB1 LEU 69 7.059 20.590 14.129 577 HG LEU 69 HG LEU 69 6.573 18.123 14.015 578 HD11 LEU 69 HD11 LEU 69 7.273 19.184 16.137 579 HD12 LEU 69 HD12 LEU 69 6.282 17.753 16.367 580 HD13 LEU 69 HD13 LEU 69 5.575 19.355 16.589 581 HD21 LEU 69 HD21 LEU 69 4.243 18.225 13.240 582 HD22 LEU 69 HD22 LEU 69 3.740 18.895 14.795 583 HD23 LEU 69 HD23 LEU 69 4.389 17.255 14.703 584 H VAL 70 HN VAL 70 3.572 21.210 16.321 585 HA VAL 70 HA VAL 70 5.219 22.990 17.985 586 HB VAL 70 HB VAL 70 2.364 22.008 18.392 587 HG11 VAL 70 HG11 VAL 70 2.255 23.548 20.321 588 HG12 VAL 70 HG12 VAL 70 3.954 23.959 20.112 589 HG13 VAL 70 HG13 VAL 70 3.492 22.320 20.571 590 HG21 VAL 70 HG21 VAL 70 3.425 24.765 17.640 591 HG22 VAL 70 HG22 VAL 70 1.733 24.347 17.911 592 HG23 VAL 70 HG23 VAL 70 2.602 23.638 16.554 593 H LEU 71 HN LEU 71 6.567 22.100 19.320 594 HA LEU 71 HA LEU 71 6.303 19.362 20.307 595 HB2 LEU 71 HB2 LEU 71 8.456 21.476 20.747 596 HB3 LEU 71 HB1 LEU 71 8.520 19.809 21.285 597 HG LEU 71 HG LEU 71 8.456 20.660 18.375 598 HD11 LEU 71 HD11 LEU 71 10.815 19.959 18.289 599 HD12 LEU 71 HD12 LEU 71 10.799 19.651 20.027 600 HD13 LEU 71 HD13 LEU 71 10.586 21.293 19.418 601 HD21 LEU 71 HD21 LEU 71 8.968 18.300 17.885 602 HD22 LEU 71 HD22 LEU 71 7.426 18.455 18.721 603 HD23 LEU 71 HD23 LEU 71 8.852 17.903 19.603 604 H ARG 72 HN ARG 72 5.894 18.838 22.437 605 HA ARG 72 HA ARG 72 5.006 20.993 24.300 606 HB2 ARG 72 HB2 ARG 72 3.877 18.182 23.913 607 HB3 ARG 72 HB1 ARG 72 3.359 19.298 25.180 608 HG2 ARG 72 HG2 ARG 72 2.454 20.844 23.522 609 HG3 ARG 72 HG1 ARG 72 3.095 19.857 22.203 610 HD2 ARG 72 HD2 ARG 72 0.681 19.473 22.508 611 HD3 ARG 72 HD1 ARG 72 1.604 18.002 22.839 612 HE ARG 72 HE ARG 72 0.973 19.655 25.146 613 HH11 ARG 72 HH11 ARG 72 -0.002 16.847 23.267 614 HH12 ARG 72 HH12 ARG 72 -1.058 16.244 24.502 615 HH21 ARG 72 HH21 ARG 72 -0.466 18.885 26.709 616 HH22 ARG 72 HH22 ARG 72 -1.335 17.411 26.446 617 H LEU 73 HN LEU 73 6.777 18.009 23.922 618 HA LEU 73 HA LEU 73 8.009 16.661 25.248 619 HB2 LEU 73 HB2 LEU 73 8.986 19.417 26.036 620 HB3 LEU 73 HB1 LEU 73 9.765 17.967 26.637 621 HG LEU 73 HG LEU 73 11.068 18.750 24.798 622 HD11 LEU 73 HD11 LEU 73 9.468 16.387 23.785 623 HD12 LEU 73 HD12 LEU 73 10.853 16.324 24.876 624 HD13 LEU 73 HD13 LEU 73 11.067 16.889 23.222 625 HD21 LEU 73 HD21 LEU 73 9.454 20.210 23.731 626 HD22 LEU 73 HD22 LEU 73 8.576 18.818 23.096 627 HD23 LEU 73 HD23 LEU 73 10.221 19.154 22.548 628 H ARG 74 HN ARG 74 5.555 16.667 26.358 629 HA ARG 74 HA ARG 74 5.474 17.081 29.154 630 HB2 ARG 74 HB2 ARG 74 3.913 15.106 27.430 631 HB3 ARG 74 HB1 ARG 74 3.502 15.538 29.088 632 HG2 ARG 74 HG2 ARG 74 3.531 17.452 26.726 633 HG3 ARG 74 HG1 ARG 74 2.090 16.730 27.453 634 HD2 ARG 74 HD2 ARG 74 2.672 17.861 29.616 635 HD3 ARG 74 HD1 ARG 74 4.028 18.642 28.800 636 HE ARG 74 HE ARG 74 2.562 20.002 27.623 637 HH11 ARG 74 HH11 ARG 74 0.708 17.719 29.547 638 HH12 ARG 74 HH12 ARG 74 -0.734 18.686 29.509 639 HH21 ARG 74 HH21 ARG 74 0.670 21.247 27.569 640 HH22 ARG 74 HH22 ARG 74 -0.751 20.696 28.410 641 H GLY 75 HN GLY 75 6.900 14.558 27.231 642 HA2 GLY 75 HA2 GLY 75 7.502 12.875 29.590 643 HA3 GLY 75 HA1 GLY 75 7.717 12.428 27.901 644 H GLY 76 HN GLY 76 8.907 15.391 27.763 645 HA2 GLY 76 HA2 GLY 76 10.976 16.407 27.964 646 HA3 GLY 76 HA1 GLY 76 11.529 15.075 28.965 647 H1 GLY 195 HN GLY 195 17.672 18.030 25.192 648 HA2 GLY 195 HA2 GLY 195 18.328 18.098 28.088 649 HA3 GLY 195 HA1 GLY 195 18.916 19.351 27.003 650 H SER 196 HN SER 196 15.812 18.056 26.277 651 HA SER 196 HA SER 196 14.414 20.484 26.927 652 HB2 SER 196 HB2 SER 196 13.385 17.776 25.971 653 HB3 SER 196 HB1 SER 196 12.403 19.235 26.098 654 HG SER 196 HG SER 196 13.150 19.821 24.236 655 H ARG 197 HN ARG 197 14.989 20.542 29.159 656 HA ARG 197 HA ARG 197 13.137 19.107 30.965 657 HB2 ARG 197 HB2 ARG 197 16.135 19.567 31.364 658 HB3 ARG 197 HB1 ARG 197 15.058 19.114 32.678 659 HG2 ARG 197 HG2 ARG 197 15.552 17.441 30.195 660 HG3 ARG 197 HG1 ARG 197 16.343 17.195 31.753 661 HD2 ARG 197 HD2 ARG 197 13.338 17.035 31.301 662 HD3 ARG 197 HD1 ARG 197 14.425 15.642 31.365 663 HE ARG 197 HE ARG 197 14.826 17.117 33.693 664 HH11 ARG 197 HH11 ARG 197 12.161 15.307 32.263 665 HH12 ARG 197 HH12 ARG 197 11.532 14.811 33.799 666 HH21 ARG 197 HH21 ARG 197 13.978 16.457 35.681 667 HH22 ARG 197 HH22 ARG 197 12.564 15.450 35.730 668 H GLN 198 HN GLN 198 13.727 21.929 29.629 669 HA GLN 198 HA GLN 198 13.308 23.588 32.041 670 HB2 GLN 198 HB2 GLN 198 14.916 25.266 31.165 671 HB3 GLN 198 HB1 GLN 198 15.705 23.728 31.489 672 HG2 GLN 198 HG2 GLN 198 15.576 23.193 29.043 673 HG3 GLN 198 HG1 GLN 198 14.916 24.804 28.765 674 HE21 GLN 198 HE21 GLN 198 17.528 23.988 31.035 675 HE22 GLN 198 HE22 GLN 198 18.755 24.876 30.208 676 H VAL 199 HN VAL 199 12.742 25.898 31.306 677 HA VAL 199 HA VAL 199 10.447 25.861 29.622 678 HB VAL 199 HB VAL 199 10.458 27.360 31.505 679 HG11 VAL 199 HG11 VAL 199 12.863 28.811 30.335 680 HG12 VAL 199 HG12 VAL 199 12.860 27.771 31.760 681 HG13 VAL 199 HG13 VAL 199 11.963 29.287 31.780 682 HG21 VAL 199 HG21 VAL 199 9.785 29.496 30.478 683 HG22 VAL 199 HG22 VAL 199 9.180 28.133 29.542 684 HG23 VAL 199 HG23 VAL 199 10.576 29.044 28.965 685 H THR 200 HN THR 200 10.982 25.251 27.573 686 HA THR 200 HA THR 200 12.989 26.554 25.956 687 HB THR 200 HB THR 200 10.745 24.643 25.140 688 HG1 THR 200 HG1 THR 200 11.971 23.155 25.994 689 HG21 THR 200 HG21 THR 200 13.312 25.377 23.664 690 HG22 THR 200 HG22 THR 200 11.686 25.875 23.195 691 HG23 THR 200 HG23 THR 200 12.132 24.171 23.146 692 H LYS 201 HN LYS 201 12.678 28.523 25.051 693 HA LYS 201 HA LYS 201 10.034 29.679 24.663 694 HB2 LYS 201 HB2 LYS 201 12.836 30.771 24.166 695 HB3 LYS 201 HB1 LYS 201 11.395 31.639 23.659 696 HG2 LYS 201 HG2 LYS 201 12.106 32.590 25.746 697 HG3 LYS 201 HG1 LYS 201 10.630 31.681 26.058 698 HD2 LYS 201 HD2 LYS 201 12.216 31.287 27.870 699 HD3 LYS 201 HD1 LYS 201 12.008 29.796 26.949 700 HE2 LYS 201 HE2 LYS 201 14.127 30.297 25.719 701 HE3 LYS 201 HE1 LYS 201 14.354 31.724 26.734 702 HZ1 LYS 201 HZ1 LYS 201 14.246 28.906 27.665 703 HZ2 LYS 201 HZ2 LYS 201 14.417 30.253 28.668 704 HZ3 LYS 201 HZ3 LYS 201 15.632 29.869 27.559 705 H VAL 202 HN VAL 202 8.944 29.546 22.884 706 HA VAL 202 HA VAL 202 10.081 28.752 20.285 707 HB VAL 202 HB VAL 202 8.078 27.109 20.095 708 HG11 VAL 202 HG11 VAL 202 10.379 26.263 20.312 709 HG12 VAL 202 HG12 VAL 202 9.263 25.239 21.215 710 HG13 VAL 202 HG13 VAL 202 10.286 26.394 22.071 711 HG21 VAL 202 HG21 VAL 202 8.093 27.369 23.134 712 HG22 VAL 202 HG22 VAL 202 7.153 26.207 22.194 713 HG23 VAL 202 HG23 VAL 202 6.811 27.930 22.057 714 H ASP 203 HN ASP 203 8.137 28.851 18.625 715 HA ASP 203 HA ASP 203 6.772 31.449 19.134 716 HB2 ASP 203 HB2 ASP 203 8.484 31.376 17.257 717 HB3 ASP 203 HB1 ASP 203 7.451 30.229 16.421 718 H CYS 204 HN CYS 204 4.607 31.713 18.610 719 HA CYS 204 HA CYS 204 2.931 29.338 18.467 720 HB2 CYS 204 HB2 CYS 204 2.311 31.218 19.965 721 HB3 CYS 204 HB1 CYS 204 2.161 32.278 18.576 722 HA PRO 205 HA PRO 205 3.490 29.628 13.947 723 HB2 PRO 205 HB2 PRO 205 2.011 27.379 13.272 724 HB3 PRO 205 HB1 PRO 205 3.659 27.322 13.904 725 HG2 PRO 205 HG2 PRO 205 1.054 27.020 15.398 726 HG3 PRO 205 HG1 PRO 205 2.508 25.994 15.462 727 HD2 PRO 205 HD2 PRO 205 2.080 27.819 17.357 728 HD3 PRO 205 HD1 PRO 205 3.717 27.566 16.724 729 H VAL 206 HN VAL 206 0.650 30.314 15.556 730 HA VAL 206 HA VAL 206 -1.017 30.595 13.154 731 HB VAL 206 HB VAL 206 -1.888 31.026 16.042 732 HG11 VAL 206 HG11 VAL 206 -3.479 30.466 13.508 733 HG12 VAL 206 HG12 VAL 206 -3.377 32.002 14.372 734 HG13 VAL 206 HG13 VAL 206 -4.158 30.618 15.132 735 HG21 VAL 206 HG21 VAL 206 -2.757 28.699 16.060 736 HG22 VAL 206 HG22 VAL 206 -1.002 28.731 15.882 737 HG23 VAL 206 HG23 VAL 206 -2.020 28.408 14.480 738 H CYS 207 HN CYS 207 0.058 32.514 16.000 739 HA CYS 207 HA CYS 207 -0.661 35.024 14.575 740 HB2 CYS 207 HB2 CYS 207 -1.158 36.059 16.706 741 HB3 CYS 207 HB1 CYS 207 -2.023 34.531 16.638 742 H GLY 208 HN GLY 208 1.958 33.220 15.362 743 HA2 GLY 208 HA2 GLY 208 4.194 33.518 15.392 744 HA3 GLY 208 HA1 GLY 208 3.906 34.992 14.513 745 H VAL 209 HN VAL 209 3.438 33.891 17.884 746 HA VAL 209 HA VAL 209 5.031 36.216 18.827 747 HB VAL 209 HB VAL 209 3.708 36.202 20.943 748 HG11 VAL 209 HG11 VAL 209 1.977 36.569 18.464 749 HG12 VAL 209 HG12 VAL 209 3.067 37.769 19.159 750 HG13 VAL 209 HG13 VAL 209 1.646 37.247 20.064 751 HG21 VAL 209 HG21 VAL 209 2.936 33.857 20.966 752 HG22 VAL 209 HG22 VAL 209 1.899 34.163 19.572 753 HG23 VAL 209 HG23 VAL 209 1.569 34.962 21.112 754 H ASN 210 HN ASN 210 6.851 35.700 19.909 755 HA ASN 210 HA ASN 210 7.522 32.940 20.446 756 HB2 ASN 210 HB2 ASN 210 9.247 34.491 19.553 757 HB3 ASN 210 HB1 ASN 210 9.146 35.463 21.021 758 HD21 ASN 210 HD21 ASN 210 10.043 32.277 19.776 759 HD22 ASN 210 HD22 ASN 210 11.140 31.887 21.050 760 H ILE 211 HN ILE 211 6.849 31.990 22.181 761 HA ILE 211 HA ILE 211 6.652 33.259 24.833 762 HB ILE 211 HB ILE 211 4.379 32.056 25.082 763 HG12 ILE 211 HG12 ILE 211 4.666 31.854 22.042 764 HG13 ILE 211 HG11 ILE 211 4.542 30.510 23.171 765 HG21 ILE 211 HG21 ILE 211 4.470 34.338 23.066 766 HG22 ILE 211 HG22 ILE 211 4.512 34.513 24.819 767 HG23 ILE 211 HG23 ILE 211 3.068 33.873 24.036 768 HD11 ILE 211 HD11 ILE 211 2.488 30.820 21.977 769 HD12 ILE 211 HD12 ILE 211 2.385 32.499 22.507 770 HD13 ILE 211 HD13 ILE 211 2.242 31.189 23.684 771 HA PRO 212 HA PRO 212 8.307 29.332 26.376 772 HB2 PRO 212 HB2 PRO 212 6.678 28.819 28.588 773 HB3 PRO 212 HB1 PRO 212 8.032 29.951 28.581 774 HG2 PRO 212 HG2 PRO 212 5.100 30.527 28.174 775 HG3 PRO 212 HG1 PRO 212 6.277 31.372 29.206 776 HD2 PRO 212 HD2 PRO 212 5.609 32.395 26.832 777 HD3 PRO 212 HD1 PRO 212 7.307 32.436 27.363 778 H GLU 213 HN GLU 213 7.830 27.081 26.677 779 HA GLU 213 HA GLU 213 6.308 26.029 24.570 780 HB2 GLU 213 HB2 GLU 213 8.465 25.158 25.585 781 HB3 GLU 213 HB1 GLU 213 7.516 24.526 26.922 782 HG2 GLU 213 HG2 GLU 213 6.317 23.028 25.369 783 HG3 GLU 213 HG1 GLU 213 7.245 23.678 24.018 784 H SER 214 HN SER 214 5.588 26.203 28.037 785 HA SER 214 HA SER 214 3.248 24.586 28.066 786 HB2 SER 214 HB2 SER 214 4.427 25.201 30.145 787 HB3 SER 214 HB1 SER 214 4.039 26.904 29.888 788 HG SER 214 HG SER 214 2.306 24.764 30.562 789 H HIS 215 HN HIS 215 3.754 28.068 27.598 790 HA HIS 215 HA HIS 215 0.917 28.659 27.338 791 HB2 HIS 215 HB2 HIS 215 3.411 30.396 27.200 792 HB3 HIS 215 HB1 HIS 215 1.792 31.031 26.904 793 HD1 HIS 215 HD1 HIS 215 0.448 31.665 28.903 794 HD2 HIS 215 HD2 HIS 215 3.736 29.350 29.926 795 HE1 HIS 215 HE1 HIS 215 0.522 31.678 31.404 796 HE2 HIS 215 HE2 HIS 215 2.386 30.097 31.990 797 H ILE 216 HN ILE 216 3.413 27.683 25.198 798 HA ILE 216 HA ILE 216 2.300 28.877 22.838 799 HB ILE 216 HB ILE 216 4.760 27.879 23.172 800 HG12 ILE 216 HG12 ILE 216 3.858 29.045 21.104 801 HG13 ILE 216 HG11 ILE 216 5.113 27.859 20.780 802 HG21 ILE 216 HG21 ILE 216 3.403 25.426 21.990 803 HG22 ILE 216 HG22 ILE 216 4.137 25.529 23.582 804 HG23 ILE 216 HG23 ILE 216 5.144 25.673 22.148 805 HD11 ILE 216 HD11 ILE 216 3.389 27.743 19.117 806 HD12 ILE 216 HD12 ILE 216 2.150 27.495 20.344 807 HD13 ILE 216 HD13 ILE 216 3.380 26.260 20.065 808 H ASN 217 HN ASN 217 2.123 25.705 24.449 809 HA ASN 217 HA ASN 217 0.354 24.323 22.817 810 HB2 ASN 217 HB2 ASN 217 1.574 23.495 24.909 811 HB3 ASN 217 HB1 ASN 217 0.345 24.290 25.874 812 HD21 ASN 217 HD21 ASN 217 -1.866 23.334 23.928 813 HD22 ASN 217 HD22 ASN 217 -2.040 21.669 24.319 814 H LYS 218 HN LYS 218 -0.393 26.394 25.626 815 HA LYS 218 HA LYS 218 -3.193 26.281 25.450 816 HB2 LYS 218 HB2 LYS 218 -1.891 26.984 27.469 817 HB3 LYS 218 HB1 LYS 218 -1.494 28.500 26.673 818 HG2 LYS 218 HG2 LYS 218 -3.333 28.786 28.303 819 HG3 LYS 218 HG1 LYS 218 -3.872 29.157 26.662 820 HD2 LYS 218 HD2 LYS 218 -5.587 27.845 27.846 821 HD3 LYS 218 HD1 LYS 218 -4.933 26.914 26.498 822 HE2 LYS 218 HE2 LYS 218 -3.422 25.738 28.147 823 HE3 LYS 218 HE1 LYS 218 -4.277 26.574 29.444 824 HZ1 LYS 218 HZ1 LYS 218 -6.332 25.504 28.685 825 HZ2 LYS 218 HZ2 LYS 218 -5.161 24.362 29.107 826 HZ3 LYS 218 HZ3 LYS 218 -5.473 24.690 27.480 827 H HIS 219 HN HIS 219 -0.884 28.556 24.014 828 HA HIS 219 HA HIS 219 -2.735 30.474 23.101 829 HB2 HIS 219 HB2 HIS 219 0.112 30.130 22.849 830 HB3 HIS 219 HB1 HIS 219 -0.499 30.347 21.218 831 HD2 HIS 219 HD2 HIS 219 -0.611 32.261 24.652 832 HE1 HIS 219 HE1 HIS 219 -1.030 35.050 21.511 833 HE2 HIS 219 HE2 HIS 219 -0.657 34.747 23.987 834 H LEU 220 HN LEU 220 -1.590 27.429 21.673 835 HA LEU 220 HA LEU 220 -2.780 27.768 19.126 836 HB2 LEU 220 HB2 LEU 220 -2.145 25.251 20.663 837 HB3 LEU 220 HB1 LEU 220 -2.826 25.211 19.052 838 HG LEU 220 HG LEU 220 -0.781 25.298 18.143 839 HD11 LEU 220 HD11 LEU 220 0.751 27.183 18.351 840 HD12 LEU 220 HD12 LEU 220 -0.202 27.823 19.688 841 HD13 LEU 220 HD13 LEU 220 -0.904 27.709 18.072 842 HD21 LEU 220 HD21 LEU 220 0.275 25.447 20.963 843 HD22 LEU 220 HD22 LEU 220 1.239 25.091 19.529 844 HD23 LEU 220 HD23 LEU 220 -0.049 23.993 20.014 845 H ASP 221 HN ASP 221 -3.968 26.190 22.096 846 HA ASP 221 HA ASP 221 -6.397 25.223 21.102 847 HB2 ASP 221 HB2 ASP 221 -5.632 26.114 23.912 848 HB3 ASP 221 HB1 ASP 221 -7.158 25.322 23.545 849 H SER 222 HN SER 222 -5.543 28.468 22.058 850 HA SER 222 HA SER 222 -8.274 29.511 21.797 851 HB2 SER 222 HB2 SER 222 -6.847 30.488 23.516 852 HB3 SER 222 HB1 SER 222 -5.587 30.852 22.334 853 HG SER 222 HG SER 222 -8.187 32.006 22.501 854 H CYS 223 HN CYS 223 -5.260 29.440 19.971 855 HA CYS 223 HA CYS 223 -6.053 31.432 18.036 856 HB2 CYS 223 HB2 CYS 223 -3.521 29.831 18.484 857 HB3 CYS 223 HB1 CYS 223 -3.737 30.818 17.043 858 H LEU 224 HN LEU 224 -6.407 27.986 18.177 859 HA LEU 224 HA LEU 224 -6.466 27.689 15.235 860 HB2 LEU 224 HB2 LEU 224 -6.402 25.272 15.566 861 HB3 LEU 224 HB1 LEU 224 -5.108 26.045 16.455 862 HG LEU 224 HG LEU 224 -6.738 25.786 18.538 863 HD11 LEU 224 HD11 LEU 224 -8.706 24.945 17.351 864 HD12 LEU 224 HD12 LEU 224 -8.117 23.767 18.518 865 HD13 LEU 224 HD13 LEU 224 -7.793 23.539 16.797 866 HD21 LEU 224 HD21 LEU 224 -4.535 24.731 18.343 867 HD22 LEU 224 HD22 LEU 224 -5.235 23.405 17.412 868 HD23 LEU 224 HD23 LEU 224 -5.697 23.645 19.099 869 H SER 225 HN SER 225 -8.477 28.928 17.234 870 HA SER 225 HA SER 225 -10.932 27.497 16.905 871 HB2 SER 225 HB2 SER 225 -10.430 30.381 17.726 872 HB3 SER 225 HB1 SER 225 -11.941 29.494 17.946 873 HG SER 225 HG SER 225 -10.172 29.644 19.717 874 H ARG 226 HN ARG 226 -9.313 28.561 14.413 875 HA ARG 226 HA ARG 226 -11.719 28.909 12.843 876 HB2 ARG 226 HB2 ARG 226 -10.871 31.247 13.287 877 HB3 ARG 226 HB1 ARG 226 -9.353 30.812 12.512 878 HG2 ARG 226 HG2 ARG 226 -10.586 30.401 10.383 879 HG3 ARG 226 HG1 ARG 226 -12.082 30.890 11.180 880 HD2 ARG 226 HD2 ARG 226 -11.098 33.136 11.588 881 HD3 ARG 226 HD1 ARG 226 -9.646 32.642 10.709 882 HE ARG 226 HE ARG 226 -12.235 32.465 9.347 883 HH11 ARG 226 HH11 ARG 226 -9.133 34.087 9.578 884 HH12 ARG 226 HH12 ARG 226 -9.377 35.003 8.129 885 HH21 ARG 226 HH21 ARG 226 -12.540 33.663 7.474 886 HH22 ARG 226 HH22 ARG 226 -11.319 34.772 6.935 887 H GLU 227 HN GLU 227 -11.442 28.202 10.675 888 HA GLU 227 HA GLU 227 -8.864 26.979 9.932 889 HB2 GLU 227 HB2 GLU 227 -10.033 24.970 9.058 890 HB3 GLU 227 HB1 GLU 227 -10.213 25.136 10.792 891 HG2 GLU 227 HG2 GLU 227 -12.368 25.833 8.764 892 HG3 GLU 227 HG1 GLU 227 -12.259 24.300 9.618 Start of MODEL 13 1 H1 GLY -2 HT1 GLY -2 2.567 2.262 -1.801 2 H2 GLY -2 HT2 GLY -2 4.007 1.410 -1.619 3 H3 GLY -2 HT3 GLY -2 2.559 0.574 -1.842 4 HA2 GLY -2 HA1 GLY -2 3.825 0.566 -3.877 5 HA3 GLY -2 HA2 GLY -2 2.337 1.488 -4.058 6 H SER -1 HN SER -1 2.499 3.861 -3.773 7 HA SER -1 HA SER -1 5.133 4.981 -4.527 8 HB2 SER -1 HB2 SER -1 3.752 4.683 -6.579 9 HB3 SER -1 HB1 SER -1 2.478 5.669 -5.866 10 HG SER -1 HG SER -1 3.671 7.446 -6.144 11 H HIS 0 HN HIS 0 5.166 5.495 -2.223 12 HA HIS 0 HA HIS 0 3.421 7.624 -1.275 13 HB2 HIS 0 HB2 HIS 0 4.776 7.538 0.808 14 HB3 HIS 0 HB1 HIS 0 4.134 5.966 0.366 15 HD1 HIS 0 HD1 HIS 0 5.764 4.191 0.906 16 HD2 HIS 0 HD2 HIS 0 7.705 7.664 -0.292 17 HE1 HIS 0 HE1 HIS 0 8.217 3.715 1.127 18 HE2 HIS 0 HE2 HIS 0 9.367 5.854 0.482 19 H MET 1 HN MET 1 4.174 9.718 -0.696 20 HA MET 1 HA MET 1 6.418 10.743 -2.344 21 HB2 MET 1 HB2 MET 1 3.979 12.241 -1.289 22 HB3 MET 1 HB1 MET 1 5.211 12.887 -2.373 23 HG2 MET 1 HG2 MET 1 3.255 10.667 -2.993 24 HG3 MET 1 HG1 MET 1 3.219 12.315 -3.640 25 HE1 MET 1 HE1 MET 1 3.020 10.955 -6.090 26 HE2 MET 1 HE2 MET 1 3.268 9.402 -5.288 27 HE3 MET 1 HE3 MET 1 4.281 9.862 -6.656 28 H GLN 2 HN GLN 2 7.162 12.992 -1.318 29 HA GLN 2 HA GLN 2 7.694 12.586 1.556 30 HB2 GLN 2 HB2 GLN 2 9.574 13.375 -0.669 31 HB3 GLN 2 HB1 GLN 2 9.884 13.956 0.964 32 HG2 GLN 2 HG2 GLN 2 9.993 11.662 1.801 33 HG3 GLN 2 HG1 GLN 2 9.584 11.035 0.214 34 HE21 GLN 2 HE21 GLN 2 11.937 10.524 1.874 35 HE22 GLN 2 HE22 GLN 2 13.304 10.968 0.917 36 H ILE 3 HN ILE 3 7.283 14.161 2.889 37 HA ILE 3 HA ILE 3 6.730 16.916 1.935 38 HB ILE 3 HB ILE 3 4.981 17.117 3.785 39 HG12 ILE 3 HG12 ILE 3 5.663 14.959 5.008 40 HG13 ILE 3 HG11 ILE 3 3.935 15.203 4.801 41 HG21 ILE 3 HG21 ILE 3 3.132 16.152 2.460 42 HG22 ILE 3 HG22 ILE 3 4.302 15.256 1.489 43 HG23 ILE 3 HG23 ILE 3 4.297 17.021 1.457 44 HD11 ILE 3 HD11 ILE 3 5.653 13.365 3.117 45 HD12 ILE 3 HD12 ILE 3 3.906 13.584 2.967 46 HD13 ILE 3 HD13 ILE 3 4.582 12.873 4.430 47 H PHE 4 HN PHE 4 6.992 18.542 3.641 48 HA PHE 4 HA PHE 4 9.218 17.802 5.470 49 HB2 PHE 4 HB2 PHE 4 8.804 20.456 4.017 50 HB3 PHE 4 HB1 PHE 4 10.174 20.030 5.044 51 HD1 PHE 4 HD2 PHE 4 11.361 17.699 4.303 52 HD2 PHE 4 HD1 PHE 4 9.171 20.285 1.682 53 HE1 PHE 4 HE2 PHE 4 12.529 16.739 2.368 54 HE2 PHE 4 HE1 PHE 4 10.341 19.307 -0.248 55 HZ PHE 4 HZ PHE 4 12.023 17.538 0.093 56 H VAL 5 HN VAL 5 8.511 17.814 7.458 57 HA VAL 5 HA VAL 5 6.575 19.828 8.435 58 HB VAL 5 HB VAL 5 7.454 17.129 9.601 59 HG11 VAL 5 HG11 VAL 5 5.786 17.499 11.387 60 HG12 VAL 5 HG12 VAL 5 5.494 19.133 10.782 61 HG13 VAL 5 HG13 VAL 5 7.074 18.701 11.437 62 HG21 VAL 5 HG21 VAL 5 4.744 18.041 8.542 63 HG22 VAL 5 HG22 VAL 5 5.113 16.450 9.212 64 HG23 VAL 5 HG23 VAL 5 5.871 16.971 7.708 65 H LYS 6 HN LYS 6 7.428 21.475 9.596 66 HA LYS 6 HA LYS 6 10.253 21.346 10.465 67 HB2 LYS 6 HB2 LYS 6 9.489 22.966 8.566 68 HB3 LYS 6 HB1 LYS 6 8.659 23.870 9.829 69 HG2 LYS 6 HG2 LYS 6 10.710 24.987 9.602 70 HG3 LYS 6 HG1 LYS 6 10.954 23.956 11.018 71 HD2 LYS 6 HD2 LYS 6 12.098 22.275 9.563 72 HD3 LYS 6 HD1 LYS 6 11.911 23.368 8.187 73 HE2 LYS 6 HE2 LYS 6 13.257 25.074 9.433 74 HE3 LYS 6 HE1 LYS 6 13.504 23.886 10.711 75 HZ1 LYS 6 HZ1 LYS 6 14.633 22.469 9.152 76 HZ2 LYS 6 HZ2 LYS 6 15.375 23.985 9.209 77 HZ3 LYS 6 HZ3 LYS 6 14.385 23.581 7.902 78 H THR 7 HN THR 7 10.590 21.510 12.663 79 HA THR 7 HA THR 7 8.380 21.937 14.466 80 HB THR 7 HB THR 7 10.081 21.607 16.285 81 HG1 THR 7 HG1 THR 7 12.204 21.034 15.630 82 HG21 THR 7 HG21 THR 7 10.620 19.252 15.780 83 HG22 THR 7 HG22 THR 7 10.164 19.515 14.097 84 HG23 THR 7 HG23 THR 7 8.949 19.640 15.367 85 H LEU 8 HN LEU 8 8.583 23.363 16.354 86 HA LEU 8 HA LEU 8 9.117 26.107 15.802 87 HB2 LEU 8 HB2 LEU 8 8.902 24.777 18.532 88 HB3 LEU 8 HB1 LEU 8 8.666 26.479 18.175 89 HG LEU 8 HG LEU 8 6.845 24.202 17.327 90 HD11 LEU 8 HD11 LEU 8 6.407 26.398 19.371 91 HD12 LEU 8 HD12 LEU 8 6.701 24.691 19.720 92 HD13 LEU 8 HD13 LEU 8 5.226 25.176 18.887 93 HD21 LEU 8 HD21 LEU 8 5.303 25.940 16.481 94 HD22 LEU 8 HD22 LEU 8 6.825 25.933 15.594 95 HD23 LEU 8 HD23 LEU 8 6.519 27.180 16.807 96 H THR 9 HN THR 9 11.038 23.480 17.103 97 HA THR 9 HA THR 9 13.219 25.102 18.097 98 HB THR 9 HB THR 9 14.393 22.907 18.413 99 HG1 THR 9 HG1 THR 9 13.321 20.998 17.889 100 HG21 THR 9 HG21 THR 9 11.542 22.940 19.485 101 HG22 THR 9 HG22 THR 9 12.929 23.745 20.221 102 HG23 THR 9 HG23 THR 9 12.876 21.984 20.140 103 H GLY 10 HN GLY 10 12.235 24.011 15.017 104 HA2 GLY 10 HA2 GLY 10 13.013 24.994 13.067 105 HA3 GLY 10 HA1 GLY 10 14.514 25.420 13.870 106 H LYS 11 HN LYS 11 13.400 22.146 14.115 107 HA LYS 11 HA LYS 11 15.487 21.209 12.262 108 HB2 LYS 11 HB2 LYS 11 15.520 19.193 13.413 109 HB3 LYS 11 HB1 LYS 11 15.019 20.263 14.711 110 HG2 LYS 11 HG2 LYS 11 12.652 19.595 14.299 111 HG3 LYS 11 HG1 LYS 11 13.222 18.490 13.045 112 HD2 LYS 11 HD2 LYS 11 14.178 18.284 15.924 113 HD3 LYS 11 HD1 LYS 11 12.672 17.532 15.400 114 HE2 LYS 11 HE2 LYS 11 14.433 15.881 15.363 115 HE3 LYS 11 HE1 LYS 11 13.943 16.224 13.704 116 HZ1 LYS 11 HZ1 LYS 11 16.337 16.060 13.921 117 HZ2 LYS 11 HZ2 LYS 11 16.357 17.295 15.070 118 HZ3 LYS 11 HZ3 LYS 11 15.905 17.626 13.478 119 H THR 12 HN THR 12 14.983 19.749 10.523 120 HA THR 12 HA THR 12 12.209 19.917 9.492 121 HB THR 12 HB THR 12 14.788 19.138 8.094 122 HG1 THR 12 HG1 THR 12 14.311 21.197 6.974 123 HG21 THR 12 HG21 THR 12 13.476 19.322 5.968 124 HG22 THR 12 HG22 THR 12 12.002 19.556 6.912 125 HG23 THR 12 HG23 THR 12 12.869 18.021 6.994 126 H ILE 13 HN ILE 13 11.029 18.137 9.158 127 HA ILE 13 HA ILE 13 12.137 15.420 9.645 128 HB ILE 13 HB ILE 13 9.327 16.385 10.396 129 HG12 ILE 13 HG12 ILE 13 10.342 15.629 12.805 130 HG13 ILE 13 HG11 ILE 13 11.844 16.104 12.043 131 HG21 ILE 13 HG21 ILE 13 10.628 13.679 10.841 132 HG22 ILE 13 HG22 ILE 13 9.325 14.044 9.712 133 HG23 ILE 13 HG23 ILE 13 9.043 14.165 11.447 134 HD11 ILE 13 HD11 ILE 13 10.930 18.332 11.624 135 HD12 ILE 13 HD12 ILE 13 10.909 17.911 13.335 136 HD13 ILE 13 HD13 ILE 13 9.417 17.852 12.399 137 H THR 14 HN THR 14 12.285 14.657 7.561 138 HA THR 14 HA THR 14 10.203 15.172 5.578 139 HB THR 14 HB THR 14 12.694 13.413 5.354 140 HG1 THR 14 HG1 THR 14 13.210 15.414 3.933 141 HG21 THR 14 HG21 THR 14 12.335 13.582 2.906 142 HG22 THR 14 HG22 THR 14 10.857 14.506 3.176 143 HG23 THR 14 HG23 THR 14 10.950 12.817 3.683 144 H LEU 15 HN LEU 15 8.446 13.874 5.409 145 HA LEU 15 HA LEU 15 8.531 11.114 6.501 146 HB2 LEU 15 HB2 LEU 15 6.022 12.687 5.778 147 HB3 LEU 15 HB1 LEU 15 6.097 11.131 6.580 148 HG LEU 15 HG LEU 15 5.545 12.663 8.288 149 HD11 LEU 15 HD11 LEU 15 7.340 11.111 8.937 150 HD12 LEU 15 HD12 LEU 15 7.378 12.614 9.848 151 HD13 LEU 15 HD13 LEU 15 8.542 12.343 8.546 152 HD21 LEU 15 HD21 LEU 15 7.751 14.506 7.323 153 HD22 LEU 15 HD22 LEU 15 6.695 14.781 8.712 154 HD23 LEU 15 HD23 LEU 15 6.016 14.740 7.087 155 H GLU 16 HN GLU 16 7.443 9.497 5.293 156 HA GLU 16 HA GLU 16 7.583 9.836 2.357 157 HB2 GLU 16 HB2 GLU 16 8.492 7.497 4.090 158 HB3 GLU 16 HB1 GLU 16 8.383 7.436 2.332 159 HG2 GLU 16 HG2 GLU 16 10.093 9.154 2.110 160 HG3 GLU 16 HG1 GLU 16 10.144 9.371 3.864 161 H VAL 17 HN VAL 17 5.286 10.380 2.739 162 HA VAL 17 HA VAL 17 3.553 7.994 2.742 163 HB VAL 17 HB VAL 17 1.885 8.879 4.234 164 HG11 VAL 17 HG11 VAL 17 4.541 9.332 5.630 165 HG12 VAL 17 HG12 VAL 17 3.708 7.787 5.448 166 HG13 VAL 17 HG13 VAL 17 2.981 9.069 6.417 167 HG21 VAL 17 HG21 VAL 17 1.936 11.226 3.579 168 HG22 VAL 17 HG22 VAL 17 3.467 11.463 4.429 169 HG23 VAL 17 HG23 VAL 17 2.004 11.083 5.336 170 H GLU 18 HN GLU 18 1.221 8.858 2.157 171 HA GLU 18 HA GLU 18 1.559 10.333 -0.368 172 HB2 GLU 18 HB2 GLU 18 -1.055 9.070 0.546 173 HB3 GLU 18 HB1 GLU 18 -0.434 9.289 -1.091 174 HG2 GLU 18 HG2 GLU 18 1.289 7.557 -0.651 175 HG3 GLU 18 HG1 GLU 18 0.605 7.319 0.950 176 HA PRO 19 HA PRO 19 -0.679 13.976 1.319 177 HB2 PRO 19 HB2 PRO 19 -1.962 14.700 -1.081 178 HB3 PRO 19 HB1 PRO 19 -0.399 15.285 -0.540 179 HG2 PRO 19 HG2 PRO 19 -1.049 13.100 -2.478 180 HG3 PRO 19 HG1 PRO 19 0.289 14.268 -2.522 181 HD2 PRO 19 HD2 PRO 19 0.659 11.681 -1.785 182 HD3 PRO 19 HD1 PRO 19 1.597 13.003 -1.052 183 H SER 20 HN SER 20 -2.196 11.355 -0.548 184 HA SER 20 HA SER 20 -4.849 11.911 0.644 185 HB2 SER 20 HB2 SER 20 -4.672 11.540 -1.844 186 HB3 SER 20 HB1 SER 20 -4.119 9.900 -1.535 187 HG SER 20 HG SER 20 -6.187 9.632 -0.382 188 H ASP 21 HN ASP 21 -2.320 10.630 1.934 189 HA ASP 21 HA ASP 21 -3.084 7.958 2.675 190 HB2 ASP 21 HB2 ASP 21 -0.754 8.426 2.628 191 HB3 ASP 21 HB1 ASP 21 -0.937 9.905 3.549 192 H THR 22 HN THR 22 -2.305 10.147 5.338 193 HA THR 22 HA THR 22 -4.740 11.044 6.241 194 HB THR 22 HB THR 22 -5.595 8.783 6.557 195 HG1 THR 22 HG1 THR 22 -6.238 10.098 8.226 196 HG21 THR 22 HG21 THR 22 -4.563 7.101 8.008 197 HG22 THR 22 HG22 THR 22 -3.197 8.173 8.313 198 HG23 THR 22 HG23 THR 22 -3.459 7.532 6.693 199 H ILE 23 HN ILE 23 -4.474 12.255 8.099 200 HA ILE 23 HA ILE 23 -1.872 13.133 8.688 201 HB ILE 23 HB ILE 23 -4.460 13.625 10.227 202 HG12 ILE 23 HG12 ILE 23 -4.562 14.434 7.874 203 HG13 ILE 23 HG11 ILE 23 -4.607 15.770 9.014 204 HG21 ILE 23 HG21 ILE 23 -3.352 15.621 11.210 205 HG22 ILE 23 HG22 ILE 23 -1.830 15.146 10.452 206 HG23 ILE 23 HG23 ILE 23 -2.561 14.120 11.687 207 HD11 ILE 23 HD11 ILE 23 -2.257 16.254 8.547 208 HD12 ILE 23 HD12 ILE 23 -3.230 16.278 7.076 209 HD13 ILE 23 HD13 ILE 23 -2.197 14.893 7.425 210 H GLU 24 HN GLU 24 -4.073 10.942 10.424 211 HA GLU 24 HA GLU 24 -2.759 10.641 12.873 212 HB2 GLU 24 HB2 GLU 24 -4.993 9.651 12.274 213 HB3 GLU 24 HB1 GLU 24 -4.167 8.436 11.304 214 HG2 GLU 24 HG2 GLU 24 -3.017 7.606 13.349 215 HG3 GLU 24 HG1 GLU 24 -3.882 8.805 14.311 216 H ASN 25 HN ASN 25 -2.151 9.106 9.783 217 HA ASN 25 HA ASN 25 -0.124 7.275 10.677 218 HB2 ASN 25 HB2 ASN 25 -1.581 6.968 8.660 219 HB3 ASN 25 HB1 ASN 25 -0.741 8.276 7.870 220 HD21 ASN 25 HD21 ASN 25 1.255 7.919 6.980 221 HD22 ASN 25 HD22 ASN 25 1.983 6.352 6.874 222 H VAL 26 HN VAL 26 -0.183 10.414 9.051 223 HA VAL 26 HA VAL 26 2.524 10.742 8.420 224 HB VAL 26 HB VAL 26 0.566 12.966 9.213 225 HG11 VAL 26 HG11 VAL 26 2.889 13.799 9.233 226 HG12 VAL 26 HG12 VAL 26 1.998 14.497 7.881 227 HG13 VAL 26 HG13 VAL 26 3.145 13.186 7.598 228 HG21 VAL 26 HG21 VAL 26 -0.292 11.585 7.363 229 HG22 VAL 26 HG22 VAL 26 1.188 11.860 6.452 230 HG23 VAL 26 HG23 VAL 26 0.108 13.207 6.808 231 H LYS 27 HN LYS 27 0.774 11.712 11.394 232 HA LYS 27 HA LYS 27 3.029 12.874 12.690 233 HB2 LYS 27 HB2 LYS 27 1.646 12.995 14.691 234 HB3 LYS 27 HB1 LYS 27 0.749 13.522 13.280 235 HG2 LYS 27 HG2 LYS 27 -0.404 11.313 13.223 236 HG3 LYS 27 HG1 LYS 27 0.456 10.865 14.700 237 HD2 LYS 27 HD2 LYS 27 -1.781 11.640 15.273 238 HD3 LYS 27 HD1 LYS 27 -0.590 12.792 15.879 239 HE2 LYS 27 HE2 LYS 27 -1.031 14.202 13.827 240 HE3 LYS 27 HE1 LYS 27 -2.332 13.087 13.413 241 HZ1 LYS 27 HZ1 LYS 27 -3.398 13.600 15.530 242 HZ2 LYS 27 HZ2 LYS 27 -3.213 14.986 14.582 243 HZ3 LYS 27 HZ3 LYS 27 -2.182 14.713 15.896 244 H ALA 28 HN ALA 28 1.591 9.632 12.782 245 HA ALA 28 HA ALA 28 3.236 8.421 14.698 246 HB1 ALA 28 HB1 ALA 28 2.142 7.194 12.137 247 HB2 ALA 28 HB2 ALA 28 1.276 7.330 13.670 248 HB3 ALA 28 HB3 ALA 28 2.710 6.308 13.555 249 H LYS 29 HN LYS 29 3.880 9.240 11.319 250 HA LYS 29 HA LYS 29 6.445 7.975 11.190 251 HB2 LYS 29 HB2 LYS 29 5.329 10.118 9.348 252 HB3 LYS 29 HB1 LYS 29 6.690 9.053 9.010 253 HG2 LYS 29 HG2 LYS 29 3.791 8.259 9.310 254 HG3 LYS 29 HG1 LYS 29 4.732 8.289 7.820 255 HD2 LYS 29 HD2 LYS 29 6.020 6.395 8.449 256 HD3 LYS 29 HD1 LYS 29 5.549 6.521 10.150 257 HE2 LYS 29 HE2 LYS 29 3.650 5.836 7.885 258 HE3 LYS 29 HE1 LYS 29 4.418 4.659 8.952 259 HZ1 LYS 29 HZ1 LYS 29 2.171 5.189 9.652 260 HZ2 LYS 29 HZ2 LYS 29 2.591 6.814 9.826 261 HZ3 LYS 29 HZ3 LYS 29 3.297 5.652 10.821 262 H ILE 30 HN ILE 30 5.417 11.354 12.021 263 HA ILE 30 HA ILE 30 8.034 12.425 12.172 264 HB ILE 30 HB ILE 30 5.523 13.172 13.741 265 HG12 ILE 30 HG12 ILE 30 6.000 15.444 12.478 266 HG13 ILE 30 HG11 ILE 30 7.068 14.484 11.467 267 HG21 ILE 30 HG21 ILE 30 8.241 14.506 14.028 268 HG22 ILE 30 HG22 ILE 30 7.370 13.616 15.278 269 HG23 ILE 30 HG23 ILE 30 6.723 15.140 14.675 270 HD11 ILE 30 HD11 ILE 30 4.108 14.099 11.804 271 HD12 ILE 30 HD12 ILE 30 5.165 13.113 10.790 272 HD13 ILE 30 HD13 ILE 30 4.932 14.821 10.422 273 H GLN 31 HN GLN 31 6.153 10.524 14.501 274 HA GLN 31 HA GLN 31 8.054 10.384 16.591 275 HB2 GLN 31 HB2 GLN 31 5.710 9.724 16.932 276 HB3 GLN 31 HB1 GLN 31 5.883 8.394 15.792 277 HG2 GLN 31 HG2 GLN 31 7.480 7.286 17.303 278 HG3 GLN 31 HG1 GLN 31 7.368 8.634 18.429 279 HE21 GLN 31 HE21 GLN 31 4.557 7.271 16.749 280 HE22 GLN 31 HE22 GLN 31 3.821 6.629 18.172 281 H ASP 32 HN ASP 32 7.663 8.510 13.639 282 HA ASP 32 HA ASP 32 9.645 6.529 14.150 283 HB2 ASP 32 HB2 ASP 32 7.886 6.189 12.495 284 HB3 ASP 32 HB1 ASP 32 8.430 7.573 11.558 285 H LYS 33 HN LYS 33 9.796 9.812 12.842 286 HA LYS 33 HA LYS 33 12.435 9.393 11.636 287 HB2 LYS 33 HB2 LYS 33 10.593 11.807 11.594 288 HB3 LYS 33 HB1 LYS 33 12.153 11.754 10.785 289 HG2 LYS 33 HG2 LYS 33 9.782 9.970 10.163 290 HG3 LYS 33 HG1 LYS 33 10.274 11.388 9.236 291 HD2 LYS 33 HD2 LYS 33 12.408 10.282 8.667 292 HD3 LYS 33 HD1 LYS 33 11.932 8.862 9.608 293 HE2 LYS 33 HE2 LYS 33 9.990 8.539 8.080 294 HE3 LYS 33 HE1 LYS 33 10.534 9.923 7.129 295 HZ1 LYS 33 HZ1 LYS 33 12.610 8.739 6.704 296 HZ2 LYS 33 HZ2 LYS 33 11.276 7.882 6.118 297 HZ3 LYS 33 HZ3 LYS 33 12.033 7.396 7.551 298 H GLU 34 HN GLU 34 11.080 11.992 13.793 299 HA GLU 34 HA GLU 34 13.789 12.567 14.708 300 HB2 GLU 34 HB2 GLU 34 12.908 14.480 15.886 301 HB3 GLU 34 HB1 GLU 34 12.312 14.480 14.235 302 HG2 GLU 34 HG2 GLU 34 10.105 13.771 14.984 303 HG3 GLU 34 HG1 GLU 34 10.685 13.590 16.642 304 H GLY 35 HN GLY 35 10.986 10.851 15.885 305 HA2 GLY 35 HA2 GLY 35 11.241 9.042 17.398 306 HA3 GLY 35 HA1 GLY 35 12.638 9.828 18.116 307 H ILE 36 HN ILE 36 9.814 11.756 17.563 308 HA ILE 36 HA ILE 36 9.336 11.873 20.487 309 HB ILE 36 HB ILE 36 9.146 14.025 18.328 310 HG12 ILE 36 HG12 ILE 36 10.433 15.384 20.062 311 HG13 ILE 36 HG11 ILE 36 10.505 13.952 21.074 312 HG21 ILE 36 HG21 ILE 36 8.024 15.550 19.945 313 HG22 ILE 36 HG22 ILE 36 7.843 14.204 21.076 314 HG23 ILE 36 HG23 ILE 36 7.004 14.169 19.526 315 HD11 ILE 36 HD11 ILE 36 12.592 14.359 19.925 316 HD12 ILE 36 HD12 ILE 36 11.778 14.270 18.365 317 HD13 ILE 36 HD13 ILE 36 11.879 12.837 19.390 318 HA PRO 37 HA PRO 37 5.491 9.798 19.531 319 HB2 PRO 37 HB2 PRO 37 4.174 10.090 21.928 320 HB3 PRO 37 HB1 PRO 37 5.549 9.000 21.719 321 HG2 PRO 37 HG2 PRO 37 5.514 11.795 22.852 322 HG3 PRO 37 HG1 PRO 37 6.321 10.343 23.489 323 HD2 PRO 37 HD2 PRO 37 7.670 12.219 22.063 324 HD3 PRO 37 HD1 PRO 37 8.085 10.499 21.955 325 HA PRO 38 HA PRO 38 2.593 12.800 17.934 326 HB2 PRO 38 HB2 PRO 38 0.161 11.465 18.131 327 HB3 PRO 38 HB1 PRO 38 1.390 11.112 16.909 328 HG2 PRO 38 HG2 PRO 38 0.901 9.726 19.551 329 HG3 PRO 38 HG1 PRO 38 1.162 9.005 17.944 330 HD2 PRO 38 HD2 PRO 38 3.174 9.133 19.706 331 HD3 PRO 38 HD1 PRO 38 3.477 9.449 17.985 332 H ASP 39 HN ASP 39 2.257 11.718 21.180 333 HA ASP 39 HA ASP 39 0.208 13.571 22.046 334 HB2 ASP 39 HB2 ASP 39 0.656 11.394 23.188 335 HB3 ASP 39 HB1 ASP 39 2.259 11.960 23.651 336 H GLN 40 HN GLN 40 3.687 13.567 21.765 337 HA GLN 40 HA GLN 40 4.074 16.069 23.253 338 HB2 GLN 40 HB2 GLN 40 5.797 13.743 22.484 339 HB3 GLN 40 HB1 GLN 40 6.601 15.295 22.500 340 HG2 GLN 40 HG2 GLN 40 6.772 13.913 24.623 341 HG3 GLN 40 HG1 GLN 40 6.269 15.587 24.823 342 HE21 GLN 40 HE21 GLN 40 5.163 12.258 24.893 343 HE22 GLN 40 HE22 GLN 40 3.715 12.558 25.790 344 H GLN 41 HN GLN 41 3.920 14.958 19.988 345 HA GLN 41 HA GLN 41 4.812 17.623 19.039 346 HB2 GLN 41 HB2 GLN 41 5.398 16.509 16.878 347 HB3 GLN 41 HB1 GLN 41 6.363 16.008 18.251 348 HG2 GLN 41 HG2 GLN 41 6.035 13.951 17.312 349 HG3 GLN 41 HG1 GLN 41 4.602 14.005 18.310 350 HE21 GLN 41 HE21 GLN 41 3.915 12.382 16.779 351 HE22 GLN 41 HE22 GLN 41 3.172 12.873 15.313 352 H ARG 42 HN ARG 42 3.500 18.796 17.757 353 HA ARG 42 HA ARG 42 0.706 17.851 17.403 354 HB2 ARG 42 HB2 ARG 42 1.251 19.482 19.336 355 HB3 ARG 42 HB1 ARG 42 1.583 20.686 18.099 356 HG2 ARG 42 HG2 ARG 42 -0.728 20.611 17.336 357 HG3 ARG 42 HG1 ARG 42 -1.085 19.285 18.451 358 HD2 ARG 42 HD2 ARG 42 -0.426 20.824 20.348 359 HD3 ARG 42 HD1 ARG 42 -0.348 22.138 19.173 360 HE ARG 42 HE ARG 42 -2.844 21.072 18.837 361 HH11 ARG 42 HH11 ARG 42 -1.143 22.483 21.585 362 HH12 ARG 42 HH12 ARG 42 -2.603 22.967 22.387 363 HH21 ARG 42 HH21 ARG 42 -4.745 21.727 19.916 364 HH22 ARG 42 HH22 ARG 42 -4.639 22.548 21.437 365 H LEU 43 HN LEU 43 -0.154 18.197 15.416 366 HA LEU 43 HA LEU 43 1.628 19.168 13.292 367 HB2 LEU 43 HB2 LEU 43 -0.767 17.312 13.388 368 HB3 LEU 43 HB1 LEU 43 -0.371 18.087 11.867 369 HG LEU 43 HG LEU 43 0.558 15.809 11.986 370 HD11 LEU 43 HD11 LEU 43 2.848 16.334 11.274 371 HD12 LEU 43 HD12 LEU 43 2.716 17.944 11.991 372 HD13 LEU 43 HD13 LEU 43 1.698 17.503 10.620 373 HD21 LEU 43 HD21 LEU 43 0.892 15.641 14.411 374 HD22 LEU 43 HD22 LEU 43 2.201 16.824 14.332 375 HD23 LEU 43 HD23 LEU 43 2.378 15.256 13.543 376 H ILE 44 HN ILE 44 1.284 21.050 12.269 377 HA ILE 44 HA ILE 44 -1.394 22.267 12.211 378 HB ILE 44 HB ILE 44 1.106 23.702 13.245 379 HG12 ILE 44 HG12 ILE 44 -1.551 23.146 14.670 380 HG13 ILE 44 HG11 ILE 44 -0.075 22.227 14.908 381 HG21 ILE 44 HG21 ILE 44 -0.313 25.720 13.526 382 HG22 ILE 44 HG22 ILE 44 -1.653 24.886 12.736 383 HG23 ILE 44 HG23 ILE 44 -0.183 25.245 11.833 384 HD11 ILE 44 HD11 ILE 44 1.007 24.259 15.763 385 HD12 ILE 44 HD12 ILE 44 -0.376 23.725 16.713 386 HD13 ILE 44 HD13 ILE 44 -0.537 25.103 15.620 387 H PHE 45 HN PHE 45 -1.837 23.075 10.227 388 HA PHE 45 HA PHE 45 0.320 24.231 8.559 389 HB2 PHE 45 HB2 PHE 45 -0.137 21.940 7.663 390 HB3 PHE 45 HB1 PHE 45 -1.847 22.319 7.540 391 HD1 PHE 45 HD2 PHE 45 1.494 22.953 6.070 392 HD2 PHE 45 HD1 PHE 45 -2.701 23.661 5.669 393 HE1 PHE 45 HE2 PHE 45 1.844 23.708 3.762 394 HE2 PHE 45 HE1 PHE 45 -2.343 24.415 3.364 395 HZ PHE 45 HZ PHE 45 -0.075 24.445 2.404 396 H ALA 46 HN ALA 46 -0.298 26.197 7.841 397 HA ALA 46 HA ALA 46 -1.486 28.076 7.406 398 HB1 ALA 46 HB1 ALA 46 -3.817 27.935 6.612 399 HB2 ALA 46 HB2 ALA 46 -3.922 26.272 7.200 400 HB3 ALA 46 HB3 ALA 46 -2.826 26.670 5.878 401 H GLY 47 HN GLY 47 -1.266 26.843 10.189 402 HA2 GLY 47 HA2 GLY 47 -1.500 27.902 12.239 403 HA3 GLY 47 HA1 GLY 47 -2.728 28.958 11.565 404 H LYS 48 HN LYS 48 -3.436 25.719 10.829 405 HA LYS 48 HA LYS 48 -5.283 25.489 13.163 406 HB2 LYS 48 HB2 LYS 48 -6.918 24.431 11.663 407 HB3 LYS 48 HB1 LYS 48 -6.467 26.020 11.051 408 HG2 LYS 48 HG2 LYS 48 -4.781 24.771 9.549 409 HG3 LYS 48 HG1 LYS 48 -5.658 23.310 9.986 410 HD2 LYS 48 HD2 LYS 48 -6.436 24.118 7.859 411 HD3 LYS 48 HD1 LYS 48 -7.735 24.310 9.044 412 HE2 LYS 48 HE2 LYS 48 -7.082 26.731 9.263 413 HE3 LYS 48 HE1 LYS 48 -5.901 26.484 7.976 414 HZ1 LYS 48 HZ1 LYS 48 -7.896 27.404 7.062 415 HZ2 LYS 48 HZ2 LYS 48 -8.846 26.191 7.755 416 HZ3 LYS 48 HZ3 LYS 48 -7.750 25.808 6.527 417 H GLN 49 HN GLN 49 -5.579 23.437 14.052 418 HA GLN 49 HA GLN 49 -3.244 21.739 13.937 419 HB2 GLN 49 HB2 GLN 49 -4.681 22.460 16.019 420 HB3 GLN 49 HB1 GLN 49 -5.745 21.144 15.568 421 HG2 GLN 49 HG2 GLN 49 -2.793 20.777 16.167 422 HG3 GLN 49 HG1 GLN 49 -4.048 20.652 17.387 423 HE21 GLN 49 HE21 GLN 49 -2.510 19.069 14.723 424 HE22 GLN 49 HE22 GLN 49 -3.333 17.566 14.865 425 H LEU 50 HN LEU 50 -3.033 19.972 12.710 426 HA LEU 50 HA LEU 50 -5.022 19.215 10.827 427 HB2 LEU 50 HB2 LEU 50 -2.420 17.786 11.433 428 HB3 LEU 50 HB1 LEU 50 -3.372 17.681 9.962 429 HG LEU 50 HG LEU 50 -1.706 20.035 10.918 430 HD11 LEU 50 HD11 LEU 50 -0.483 19.706 8.827 431 HD12 LEU 50 HD12 LEU 50 -1.500 18.314 8.447 432 HD13 LEU 50 HD13 LEU 50 -0.433 18.274 9.854 433 HD21 LEU 50 HD21 LEU 50 -3.556 20.004 8.514 434 HD22 LEU 50 HD22 LEU 50 -2.431 21.289 8.946 435 HD23 LEU 50 HD23 LEU 50 -3.802 20.941 9.990 436 H GLU 51 HN GLU 51 -6.577 17.776 11.080 437 HA GLU 51 HA GLU 51 -6.907 16.264 13.514 438 HB2 GLU 51 HB2 GLU 51 -8.752 17.572 12.525 439 HB3 GLU 51 HB1 GLU 51 -8.660 16.619 11.049 440 HG2 GLU 51 HG2 GLU 51 -9.390 14.616 12.280 441 HG3 GLU 51 HG1 GLU 51 -9.461 15.547 13.775 442 H ASP 52 HN ASP 52 -6.954 14.064 13.686 443 HA ASP 52 HA ASP 52 -5.166 12.562 12.141 444 HB2 ASP 52 HB2 ASP 52 -7.244 11.717 14.197 445 HB3 ASP 52 HB1 ASP 52 -6.046 10.612 13.525 446 H GLY 53 HN GLY 53 -8.719 12.563 12.192 447 HA2 GLY 53 HA2 GLY 53 -9.106 10.329 10.442 448 HA3 GLY 53 HA1 GLY 53 -10.324 11.479 10.968 449 H ARG 54 HN ARG 54 -8.246 13.553 9.787 450 HA ARG 54 HA ARG 54 -9.272 13.542 7.040 451 HB2 ARG 54 HB2 ARG 54 -7.720 15.625 8.633 452 HB3 ARG 54 HB1 ARG 54 -8.305 15.866 6.983 453 HG2 ARG 54 HG2 ARG 54 -10.641 15.470 7.836 454 HG3 ARG 54 HG1 ARG 54 -9.994 15.396 9.468 455 HD2 ARG 54 HD2 ARG 54 -9.221 17.685 9.302 456 HD3 ARG 54 HD1 ARG 54 -9.751 17.809 7.628 457 HE ARG 54 HE ARG 54 -11.460 17.710 10.030 458 HH11 ARG 54 HH11 ARG 54 -11.248 18.060 6.536 459 HH12 ARG 54 HH12 ARG 54 -12.846 18.721 6.391 460 HH21 ARG 54 HH21 ARG 54 -13.553 18.574 9.808 461 HH22 ARG 54 HH22 ARG 54 -14.158 18.997 8.236 462 H THR 55 HN THR 55 -7.558 14.549 5.449 463 HA THR 55 HA THR 55 -5.053 12.931 5.544 464 HB THR 55 HB THR 55 -5.097 13.046 3.008 465 HG1 THR 55 HG1 THR 55 -7.832 13.724 3.110 466 HG21 THR 55 HG21 THR 55 -5.912 11.008 4.149 467 HG22 THR 55 HG22 THR 55 -6.813 11.310 2.665 468 HG23 THR 55 HG23 THR 55 -7.541 11.692 4.227 469 H LEU 56 HN LEU 56 -3.302 13.939 4.125 470 HA LEU 56 HA LEU 56 -2.644 16.563 4.937 471 HB2 LEU 56 HB2 LEU 56 -1.573 14.857 2.654 472 HB3 LEU 56 HB1 LEU 56 -0.893 16.424 3.056 473 HG LEU 56 HG LEU 56 -0.945 14.040 4.962 474 HD11 LEU 56 HD11 LEU 56 1.362 15.084 3.273 475 HD12 LEU 56 HD12 LEU 56 0.509 13.554 3.046 476 HD13 LEU 56 HD13 LEU 56 1.465 13.816 4.501 477 HD21 LEU 56 HD21 LEU 56 0.665 15.349 6.301 478 HD22 LEU 56 HD22 LEU 56 -0.866 16.202 6.143 479 HD23 LEU 56 HD23 LEU 56 0.520 16.706 5.176 480 H SER 57 HN SER 57 -3.777 15.276 1.830 481 HA SER 57 HA SER 57 -4.016 17.551 0.279 482 HB2 SER 57 HB2 SER 57 -5.496 14.905 0.291 483 HB3 SER 57 HB1 SER 57 -5.790 16.112 -0.956 484 HG SER 57 HG SER 57 -3.735 15.880 -1.650 485 H ASP 58 HN ASP 58 -6.146 16.355 2.808 486 HA ASP 58 HA ASP 58 -8.522 17.764 2.127 487 HB2 ASP 58 HB2 ASP 58 -8.460 15.824 3.673 488 HB3 ASP 58 HB1 ASP 58 -7.538 16.764 4.838 489 H TYR 59 HN TYR 59 -5.756 18.469 4.223 490 HA TYR 59 HA TYR 59 -6.709 21.130 4.925 491 HB2 TYR 59 HB2 TYR 59 -4.380 19.391 5.776 492 HB3 TYR 59 HB1 TYR 59 -4.350 21.115 6.126 493 HD1 TYR 59 HD1 TYR 59 -6.282 22.107 7.434 494 HD2 TYR 59 HD2 TYR 59 -5.585 17.897 7.228 495 HE1 TYR 59 HE1 TYR 59 -7.596 21.800 9.470 496 HE2 TYR 59 HE2 TYR 59 -6.904 17.588 9.264 497 HH TYR 59 HH TYR 59 -7.505 19.160 11.336 498 H ASN 60 HN ASN 60 -5.781 20.267 2.090 499 HA ASN 60 HA ASN 60 -4.973 21.321 0.272 500 HB2 ASN 60 HB2 ASN 60 -4.320 23.652 2.128 501 HB3 ASN 60 HB1 ASN 60 -4.271 23.723 0.373 502 HD21 ASN 60 HD21 ASN 60 -6.380 23.434 3.173 503 HD22 ASN 60 HD22 ASN 60 -7.828 23.925 2.362 504 H ILE 61 HN ILE 61 -3.211 19.847 2.352 505 HA ILE 61 HA ILE 61 -0.510 20.814 1.756 506 HB ILE 61 HB ILE 61 -1.318 18.288 3.266 507 HG12 ILE 61 HG12 ILE 61 -0.637 20.910 4.640 508 HG13 ILE 61 HG11 ILE 61 -2.286 20.507 4.187 509 HG21 ILE 61 HG21 ILE 61 0.910 18.449 4.335 510 HG22 ILE 61 HG22 ILE 61 1.278 19.878 3.369 511 HG23 ILE 61 HG23 ILE 61 1.047 18.318 2.580 512 HD11 ILE 61 HD11 ILE 61 -0.560 18.848 6.016 513 HD12 ILE 61 HD12 ILE 61 -2.262 18.564 5.614 514 HD13 ILE 61 HD13 ILE 61 -1.795 20.001 6.525 515 H GLN 62 HN GLN 62 0.397 20.174 -0.116 516 HA GLN 62 HA GLN 62 -0.234 17.537 -1.314 517 HB2 GLN 62 HB2 GLN 62 0.800 18.408 -3.375 518 HB3 GLN 62 HB1 GLN 62 -0.496 19.468 -2.847 519 HG2 GLN 62 HG2 GLN 62 0.999 21.180 -2.167 520 HG3 GLN 62 HG1 GLN 62 2.375 20.081 -2.112 521 HE21 GLN 62 HE21 GLN 62 3.449 19.555 -4.014 522 HE22 GLN 62 HE22 GLN 62 3.235 20.448 -5.479 523 H LYS 63 HN LYS 63 1.948 16.810 -2.616 524 HA LYS 63 HA LYS 63 3.894 15.995 -0.770 525 HB2 LYS 63 HB2 LYS 63 5.257 15.316 -2.683 526 HB3 LYS 63 HB1 LYS 63 3.573 14.900 -2.985 527 HG2 LYS 63 HG2 LYS 63 3.328 16.808 -4.490 528 HG3 LYS 63 HG1 LYS 63 4.966 17.347 -4.128 529 HD2 LYS 63 HD2 LYS 63 4.230 14.741 -5.516 530 HD3 LYS 63 HD1 LYS 63 4.835 16.193 -6.313 531 HE2 LYS 63 HE2 LYS 63 6.933 15.988 -4.927 532 HE3 LYS 63 HE1 LYS 63 6.332 14.434 -4.342 533 HZ1 LYS 63 HZ1 LYS 63 6.859 15.123 -7.181 534 HZ2 LYS 63 HZ2 LYS 63 6.316 13.628 -6.611 535 HZ3 LYS 63 HZ3 LYS 63 7.857 14.175 -6.198 536 H GLU 64 HN GLU 64 5.804 16.820 -0.115 537 HA GLU 64 HA GLU 64 7.581 18.130 0.263 538 HB2 GLU 64 HB2 GLU 64 6.959 19.430 -2.410 539 HB3 GLU 64 HB1 GLU 64 8.469 19.602 -1.520 540 HG2 GLU 64 HG2 GLU 64 8.978 17.237 -1.831 541 HG3 GLU 64 HG1 GLU 64 7.416 16.966 -2.606 542 H SER 65 HN SER 65 4.530 19.177 0.568 543 HA SER 65 HA SER 65 4.850 22.005 0.890 544 HB2 SER 65 HB2 SER 65 2.795 20.129 2.127 545 HB3 SER 65 HB1 SER 65 2.698 21.893 2.135 546 HG SER 65 HG SER 65 3.069 20.637 -0.323 547 H THR 66 HN THR 66 5.516 23.186 2.600 548 HA THR 66 HA THR 66 6.655 21.840 4.930 549 HB THR 66 HB THR 66 6.887 24.778 4.142 550 HG1 THR 66 HG1 THR 66 8.161 22.515 3.208 551 HG21 THR 66 HG21 THR 66 8.500 23.103 6.123 552 HG22 THR 66 HG22 THR 66 7.347 24.368 6.551 553 HG23 THR 66 HG23 THR 66 8.830 24.786 5.693 554 H LEU 67 HN LEU 67 5.626 21.799 6.798 555 HA LEU 67 HA LEU 67 3.568 23.809 7.483 556 HB2 LEU 67 HB2 LEU 67 2.336 21.981 8.702 557 HB3 LEU 67 HB1 LEU 67 2.271 21.880 6.962 558 HG LEU 67 HG LEU 67 4.288 20.194 8.464 559 HD11 LEU 67 HD11 LEU 67 2.147 19.774 9.592 560 HD12 LEU 67 HD12 LEU 67 2.665 18.371 8.662 561 HD13 LEU 67 HD13 LEU 67 1.383 19.417 8.041 562 HD21 LEU 67 HD21 LEU 67 3.996 18.655 6.555 563 HD22 LEU 67 HD22 LEU 67 4.463 20.260 6.002 564 HD23 LEU 67 HD23 LEU 67 2.784 19.733 5.851 565 H HIS 68 HN HIS 68 3.143 23.768 9.905 566 HA HIS 68 HA HIS 68 5.744 23.835 11.280 567 HB2 HIS 68 HB2 HIS 68 3.062 25.114 11.938 568 HB3 HIS 68 HB1 HIS 68 4.428 25.136 13.052 569 HD1 HIS 68 HD1 HIS 68 3.381 26.517 9.683 570 HD2 HIS 68 HD2 HIS 68 6.400 27.005 12.492 571 HE1 HIS 68 HE1 HIS 68 4.570 28.627 9.041 572 HE2 HIS 68 HE2 HIS 68 6.511 28.775 10.625 573 H LEU 69 HN LEU 69 6.060 22.959 13.313 574 HA LEU 69 HA LEU 69 4.221 20.844 14.257 575 HB2 LEU 69 HB2 LEU 69 6.174 20.034 12.769 576 HB3 LEU 69 HB1 LEU 69 7.250 20.546 14.041 577 HG LEU 69 HG LEU 69 6.846 18.086 14.001 578 HD11 LEU 69 HD11 LEU 69 5.809 19.323 16.552 579 HD12 LEU 69 HD12 LEU 69 7.507 19.172 16.104 580 HD13 LEU 69 HD13 LEU 69 6.536 17.727 16.352 581 HD21 LEU 69 HD21 LEU 69 4.532 18.072 13.217 582 HD22 LEU 69 HD22 LEU 69 3.985 18.762 14.746 583 HD23 LEU 69 HD23 LEU 69 4.694 17.148 14.707 584 H VAL 70 HN VAL 70 3.853 21.097 16.355 585 HA VAL 70 HA VAL 70 5.548 22.875 17.978 586 HB VAL 70 HB VAL 70 2.674 21.940 18.360 587 HG11 VAL 70 HG11 VAL 70 4.285 23.792 20.167 588 HG12 VAL 70 HG12 VAL 70 3.724 22.171 20.575 589 HG13 VAL 70 HG13 VAL 70 2.554 23.461 20.312 590 HG21 VAL 70 HG21 VAL 70 2.113 24.310 17.936 591 HG22 VAL 70 HG22 VAL 70 2.985 23.615 16.577 592 HG23 VAL 70 HG23 VAL 70 3.822 24.687 17.702 593 H LEU 71 HN LEU 71 7.102 21.764 18.937 594 HA LEU 71 HA LEU 71 6.766 19.118 20.055 595 HB2 LEU 71 HB2 LEU 71 9.045 21.134 20.197 596 HB3 LEU 71 HB1 LEU 71 9.090 19.561 20.975 597 HG LEU 71 HG LEU 71 8.928 20.056 17.980 598 HD11 LEU 71 HD11 LEU 71 11.156 20.517 18.900 599 HD12 LEU 71 HD12 LEU 71 11.177 19.071 17.895 600 HD13 LEU 71 HD13 LEU 71 11.192 18.921 19.655 601 HD21 LEU 71 HD21 LEU 71 9.138 17.612 17.718 602 HD22 LEU 71 HD22 LEU 71 7.655 18.042 18.561 603 HD23 LEU 71 HD23 LEU 71 9.028 17.404 19.470 604 H ARG 72 HN ARG 72 6.689 18.586 22.197 605 HA ARG 72 HA ARG 72 6.055 20.711 24.172 606 HB2 ARG 72 HB2 ARG 72 4.840 17.910 24.004 607 HB3 ARG 72 HB1 ARG 72 4.432 19.152 25.195 608 HG2 ARG 72 HG2 ARG 72 3.501 20.582 23.414 609 HG3 ARG 72 HG1 ARG 72 3.966 19.391 22.199 610 HD2 ARG 72 HD2 ARG 72 1.611 19.148 22.619 611 HD3 ARG 72 HD1 ARG 72 2.427 17.744 23.318 612 HE ARG 72 HE ARG 72 2.024 19.895 25.193 613 HH11 ARG 72 HH11 ARG 72 0.541 17.028 23.804 614 HH12 ARG 72 HH12 ARG 72 -0.597 16.847 25.099 615 HH21 ARG 72 HH21 ARG 72 0.504 19.654 26.874 616 HH22 ARG 72 HH22 ARG 72 -0.638 18.352 26.827 617 H LEU 73 HN LEU 73 7.180 17.373 23.729 618 HA LEU 73 HA LEU 73 8.588 16.003 24.827 619 HB2 LEU 73 HB2 LEU 73 10.043 18.644 24.765 620 HB3 LEU 73 HB1 LEU 73 10.777 17.328 25.660 621 HG LEU 73 HG LEU 73 11.720 17.440 23.402 622 HD11 LEU 73 HD11 LEU 73 9.969 14.979 23.707 623 HD12 LEU 73 HD12 LEU 73 11.546 15.230 24.459 624 HD13 LEU 73 HD13 LEU 73 11.419 15.114 22.706 625 HD21 LEU 73 HD21 LEU 73 10.386 17.029 21.380 626 HD22 LEU 73 HD22 LEU 73 9.826 18.474 22.216 627 HD23 LEU 73 HD23 LEU 73 8.907 16.974 22.344 628 H ARG 74 HN ARG 74 6.487 16.574 26.370 629 HA ARG 74 HA ARG 74 7.134 17.240 29.062 630 HB2 ARG 74 HB2 ARG 74 4.794 15.635 27.934 631 HB3 ARG 74 HB1 ARG 74 4.885 16.276 29.574 632 HG2 ARG 74 HG2 ARG 74 4.800 17.912 27.014 633 HG3 ARG 74 HG1 ARG 74 3.484 17.717 28.175 634 HD2 ARG 74 HD2 ARG 74 4.835 18.870 29.901 635 HD3 ARG 74 HD1 ARG 74 6.159 19.045 28.747 636 HE ARG 74 HE ARG 74 4.796 20.545 27.455 637 HH11 ARG 74 HH11 ARG 74 3.568 19.880 30.666 638 HH12 ARG 74 HH12 ARG 74 2.627 21.332 30.736 639 HH21 ARG 74 HH21 ARG 74 3.581 22.458 27.571 640 HH22 ARG 74 HH22 ARG 74 2.641 22.799 28.997 641 H GLY 75 HN GLY 75 7.597 14.398 27.159 642 HA2 GLY 75 HA2 GLY 75 8.117 12.611 29.401 643 HA3 GLY 75 HA1 GLY 75 8.311 12.256 27.693 644 H GLY 76 HN GLY 76 9.818 15.178 28.304 645 HA2 GLY 76 HA2 GLY 76 11.955 15.840 28.918 646 HA3 GLY 76 HA1 GLY 76 12.366 14.176 29.296 647 H1 GLY 195 HN GLY 195 18.500 17.721 22.709 648 HA2 GLY 195 HA2 GLY 195 16.063 16.879 23.523 649 HA3 GLY 195 HA1 GLY 195 17.097 16.298 24.826 650 H SER 196 HN SER 196 15.127 18.077 25.431 651 HA SER 196 HA SER 196 16.654 20.323 26.478 652 HB2 SER 196 HB2 SER 196 15.791 21.195 24.291 653 HB3 SER 196 HB1 SER 196 14.144 20.839 24.811 654 HG SER 196 HG SER 196 14.154 22.568 26.023 655 H ARG 197 HN ARG 197 16.299 19.727 28.543 656 HA ARG 197 HA ARG 197 13.720 19.002 29.643 657 HB2 ARG 197 HB2 ARG 197 15.744 18.046 30.614 658 HB3 ARG 197 HB1 ARG 197 16.428 19.642 30.900 659 HG2 ARG 197 HG2 ARG 197 14.709 20.086 32.616 660 HG3 ARG 197 HG1 ARG 197 13.983 18.508 32.309 661 HD2 ARG 197 HD2 ARG 197 16.796 18.979 33.364 662 HD3 ARG 197 HD1 ARG 197 15.402 18.481 34.331 663 HE ARG 197 HE ARG 197 15.460 16.569 32.463 664 HH11 ARG 197 HH11 ARG 197 18.082 17.815 34.449 665 HH12 ARG 197 HH12 ARG 197 18.908 16.292 34.499 666 HH21 ARG 197 HH21 ARG 197 16.552 14.611 32.531 667 HH22 ARG 197 HH22 ARG 197 18.032 14.469 33.428 668 H GLN 198 HN GLN 198 15.585 21.900 29.167 669 HA GLN 198 HA GLN 198 14.477 23.574 31.179 670 HB2 GLN 198 HB2 GLN 198 15.899 24.263 28.570 671 HB3 GLN 198 HB1 GLN 198 15.430 25.469 29.760 672 HG2 GLN 198 HG2 GLN 198 17.781 25.011 30.018 673 HG3 GLN 198 HG1 GLN 198 16.930 24.375 31.421 674 HE21 GLN 198 HE21 GLN 198 16.904 22.136 31.765 675 HE22 GLN 198 HE22 GLN 198 17.928 21.051 30.883 676 H VAL 199 HN VAL 199 13.042 25.367 30.909 677 HA VAL 199 HA VAL 199 10.720 25.041 29.366 678 HB VAL 199 HB VAL 199 10.621 26.381 31.371 679 HG11 VAL 199 HG11 VAL 199 12.550 28.378 30.121 680 HG12 VAL 199 HG12 VAL 199 12.903 27.280 31.458 681 HG13 VAL 199 HG13 VAL 199 11.718 28.567 31.671 682 HG21 VAL 199 HG21 VAL 199 9.443 28.392 30.582 683 HG22 VAL 199 HG22 VAL 199 9.017 26.983 29.613 684 HG23 VAL 199 HG23 VAL 199 10.135 28.189 28.970 685 H THR 200 HN THR 200 10.832 24.914 27.221 686 HA THR 200 HA THR 200 12.927 26.200 25.698 687 HB THR 200 HB THR 200 10.643 24.440 24.676 688 HG1 THR 200 HG1 THR 200 12.002 23.459 26.346 689 HG21 THR 200 HG21 THR 200 12.186 23.950 22.802 690 HG22 THR 200 HG22 THR 200 13.387 25.042 23.491 691 HG23 THR 200 HG23 THR 200 11.855 25.682 22.892 692 H LYS 201 HN LYS 201 12.692 28.265 25.080 693 HA LYS 201 HA LYS 201 10.139 29.571 24.690 694 HB2 LYS 201 HB2 LYS 201 13.013 30.488 24.240 695 HB3 LYS 201 HB1 LYS 201 11.632 31.486 23.806 696 HG2 LYS 201 HG2 LYS 201 12.493 32.241 25.930 697 HG3 LYS 201 HG1 LYS 201 10.913 31.511 26.187 698 HD2 LYS 201 HD2 LYS 201 12.494 30.899 27.987 699 HD3 LYS 201 HD1 LYS 201 11.966 29.475 27.088 700 HE2 LYS 201 HE2 LYS 201 14.385 29.385 27.583 701 HE3 LYS 201 HE1 LYS 201 14.090 29.448 25.845 702 HZ1 LYS 201 HZ1 LYS 201 14.875 31.756 27.538 703 HZ2 LYS 201 HZ2 LYS 201 14.631 31.790 25.867 704 HZ3 LYS 201 HZ3 LYS 201 15.903 30.889 26.515 705 H VAL 202 HN VAL 202 9.074 29.674 22.827 706 HA VAL 202 HA VAL 202 10.226 28.810 20.263 707 HB VAL 202 HB VAL 202 8.213 27.215 19.985 708 HG11 VAL 202 HG11 VAL 202 9.280 25.317 21.154 709 HG12 VAL 202 HG12 VAL 202 10.272 26.440 22.088 710 HG13 VAL 202 HG13 VAL 202 10.478 26.325 20.339 711 HG21 VAL 202 HG21 VAL 202 6.833 28.060 21.851 712 HG22 VAL 202 HG22 VAL 202 8.035 27.499 23.017 713 HG23 VAL 202 HG23 VAL 202 7.144 26.333 22.034 714 H ASP 203 HN ASP 203 8.090 28.794 18.653 715 HA ASP 203 HA ASP 203 6.768 31.430 19.049 716 HB2 ASP 203 HB2 ASP 203 8.365 31.273 17.095 717 HB3 ASP 203 HB1 ASP 203 7.341 30.028 16.399 718 H CYS 204 HN CYS 204 4.582 31.595 18.758 719 HA CYS 204 HA CYS 204 2.924 29.199 18.591 720 HB2 CYS 204 HB2 CYS 204 2.335 30.994 20.185 721 HB3 CYS 204 HB1 CYS 204 2.178 32.140 18.882 722 HA PRO 205 HA PRO 205 3.734 29.858 14.182 723 HB2 PRO 205 HB2 PRO 205 2.155 27.786 13.151 724 HB3 PRO 205 HB1 PRO 205 3.796 27.595 13.776 725 HG2 PRO 205 HG2 PRO 205 1.174 27.148 15.196 726 HG3 PRO 205 HG1 PRO 205 2.625 26.119 15.178 727 HD2 PRO 205 HD2 PRO 205 2.145 27.703 17.269 728 HD3 PRO 205 HD1 PRO 205 3.805 27.551 16.644 729 H VAL 206 HN VAL 206 0.523 29.885 15.522 730 HA VAL 206 HA VAL 206 -0.882 30.493 13.079 731 HB VAL 206 HB VAL 206 -1.947 30.955 15.900 732 HG11 VAL 206 HG11 VAL 206 -3.379 30.266 13.303 733 HG12 VAL 206 HG12 VAL 206 -3.340 31.848 14.084 734 HG13 VAL 206 HG13 VAL 206 -4.142 30.498 14.879 735 HG21 VAL 206 HG21 VAL 206 -1.007 28.688 15.869 736 HG22 VAL 206 HG22 VAL 206 -1.909 28.304 14.402 737 HG23 VAL 206 HG23 VAL 206 -2.771 28.616 15.911 738 H CYS 207 HN CYS 207 -0.411 32.422 16.084 739 HA CYS 207 HA CYS 207 -0.923 34.918 14.626 740 HB2 CYS 207 HB2 CYS 207 -1.151 35.976 16.808 741 HB3 CYS 207 HB1 CYS 207 -2.082 34.485 16.808 742 H GLY 208 HN GLY 208 1.723 33.053 15.533 743 HA2 GLY 208 HA2 GLY 208 3.965 33.282 15.380 744 HA3 GLY 208 HA1 GLY 208 3.686 34.682 14.383 745 H VAL 209 HN VAL 209 3.380 33.811 17.832 746 HA VAL 209 HA VAL 209 4.952 36.218 18.580 747 HB VAL 209 HB VAL 209 3.725 36.343 20.717 748 HG11 VAL 209 HG11 VAL 209 1.808 36.314 18.357 749 HG12 VAL 209 HG12 VAL 209 2.854 37.655 18.833 750 HG13 VAL 209 HG13 VAL 209 1.545 37.141 19.898 751 HG21 VAL 209 HG21 VAL 209 1.697 34.984 21.164 752 HG22 VAL 209 HG22 VAL 209 3.134 33.970 21.048 753 HG23 VAL 209 HG23 VAL 209 1.997 34.040 19.700 754 H ASN 210 HN ASN 210 6.705 35.895 19.909 755 HA ASN 210 HA ASN 210 7.607 33.153 20.262 756 HB2 ASN 210 HB2 ASN 210 9.178 34.890 19.413 757 HB3 ASN 210 HB1 ASN 210 9.054 35.750 20.946 758 HD21 ASN 210 HD21 ASN 210 10.138 32.746 19.451 759 HD22 ASN 210 HD22 ASN 210 11.272 32.323 20.686 760 H ILE 211 HN ILE 211 6.841 32.098 21.920 761 HA ILE 211 HA ILE 211 6.760 33.204 24.650 762 HB ILE 211 HB ILE 211 4.509 32.037 24.966 763 HG12 ILE 211 HG12 ILE 211 4.592 31.865 21.909 764 HG13 ILE 211 HG11 ILE 211 4.596 30.503 23.024 765 HG21 ILE 211 HG21 ILE 211 4.500 34.323 22.952 766 HG22 ILE 211 HG22 ILE 211 4.613 34.491 24.704 767 HG23 ILE 211 HG23 ILE 211 3.142 33.846 23.976 768 HD11 ILE 211 HD11 ILE 211 2.442 30.785 22.000 769 HD12 ILE 211 HD12 ILE 211 2.339 32.443 22.593 770 HD13 ILE 211 HD13 ILE 211 2.335 31.093 23.733 771 HA PRO 212 HA PRO 212 8.525 29.180 25.778 772 HB2 PRO 212 HB2 PRO 212 7.353 28.804 28.277 773 HB3 PRO 212 HB1 PRO 212 8.756 29.835 27.975 774 HG2 PRO 212 HG2 PRO 212 5.852 30.619 28.196 775 HG3 PRO 212 HG1 PRO 212 7.282 31.401 28.908 776 HD2 PRO 212 HD2 PRO 212 6.127 32.395 26.696 777 HD3 PRO 212 HD1 PRO 212 7.897 32.408 26.877 778 H GLU 213 HN GLU 213 7.878 26.939 26.415 779 HA GLU 213 HA GLU 213 6.127 26.057 24.415 780 HB2 GLU 213 HB2 GLU 213 8.153 24.869 24.973 781 HB3 GLU 213 HB1 GLU 213 7.591 24.549 26.602 782 HG2 GLU 213 HG2 GLU 213 6.074 23.442 24.234 783 HG3 GLU 213 HG1 GLU 213 7.535 22.640 24.789 784 H SER 214 HN SER 214 5.543 26.059 27.990 785 HA SER 214 HA SER 214 3.079 24.634 27.814 786 HB2 SER 214 HB2 SER 214 4.019 26.599 29.941 787 HB3 SER 214 HB1 SER 214 2.638 25.509 30.107 788 HG SER 214 HG SER 214 4.750 24.086 29.308 789 H HIS 215 HN HIS 215 3.874 28.091 27.686 790 HA HIS 215 HA HIS 215 1.219 29.066 27.352 791 HB2 HIS 215 HB2 HIS 215 3.977 30.247 27.006 792 HB3 HIS 215 HB1 HIS 215 2.633 31.092 26.243 793 HD1 HIS 215 HD1 HIS 215 4.435 31.080 29.322 794 HD2 HIS 215 HD2 HIS 215 0.443 31.536 28.281 795 HE1 HIS 215 HE1 HIS 215 3.351 32.218 31.274 796 HE2 HIS 215 HE2 HIS 215 0.906 32.268 30.701 797 H ILE 216 HN ILE 216 3.519 27.645 25.085 798 HA ILE 216 HA ILE 216 2.382 28.827 22.757 799 HB ILE 216 HB ILE 216 4.772 27.719 22.970 800 HG12 ILE 216 HG12 ILE 216 3.762 28.831 20.901 801 HG13 ILE 216 HG11 ILE 216 5.011 27.637 20.587 802 HG21 ILE 216 HG21 ILE 216 3.238 25.282 21.977 803 HG22 ILE 216 HG22 ILE 216 4.126 25.408 23.485 804 HG23 ILE 216 HG23 ILE 216 4.996 25.465 21.960 805 HD11 ILE 216 HD11 ILE 216 2.042 27.223 20.281 806 HD12 ILE 216 HD12 ILE 216 3.284 26.007 19.976 807 HD13 ILE 216 HD13 ILE 216 3.216 27.463 18.992 808 H ASN 217 HN ASN 217 1.952 25.650 24.337 809 HA ASN 217 HA ASN 217 0.113 24.649 22.413 810 HB2 ASN 217 HB2 ASN 217 0.780 23.756 25.241 811 HB3 ASN 217 HB1 ASN 217 -0.443 22.935 24.271 812 HD21 ASN 217 HD21 ASN 217 2.966 23.522 24.661 813 HD22 ASN 217 HD22 ASN 217 3.500 22.361 23.502 814 H LYS 218 HN LYS 218 -0.340 26.391 25.487 815 HA LYS 218 HA LYS 218 -3.182 26.212 25.528 816 HB2 LYS 218 HB2 LYS 218 -1.735 26.851 27.498 817 HB3 LYS 218 HB1 LYS 218 -1.455 28.409 26.736 818 HG2 LYS 218 HG2 LYS 218 -3.174 29.023 28.141 819 HG3 LYS 218 HG1 LYS 218 -4.135 28.521 26.759 820 HD2 LYS 218 HD2 LYS 218 -3.579 26.864 29.256 821 HD3 LYS 218 HD1 LYS 218 -5.091 27.676 28.871 822 HE2 LYS 218 HE2 LYS 218 -3.880 25.322 27.381 823 HE3 LYS 218 HE1 LYS 218 -5.295 25.279 28.433 824 HZ1 LYS 218 HZ1 LYS 218 -6.465 26.689 26.881 825 HZ2 LYS 218 HZ2 LYS 218 -5.873 25.319 26.082 826 HZ3 LYS 218 HZ3 LYS 218 -5.096 26.804 25.899 827 H HIS 219 HN HIS 219 -0.947 28.630 24.186 828 HA HIS 219 HA HIS 219 -2.809 30.539 23.296 829 HB2 HIS 219 HB2 HIS 219 0.025 30.198 23.086 830 HB3 HIS 219 HB1 HIS 219 -0.534 30.369 21.437 831 HD2 HIS 219 HD2 HIS 219 -0.807 32.383 24.815 832 HE1 HIS 219 HE1 HIS 219 -0.838 35.079 21.565 833 HE2 HIS 219 HE2 HIS 219 -0.572 34.843 24.064 834 H LEU 220 HN LEU 220 -1.568 27.564 21.849 835 HA LEU 220 HA LEU 220 -2.719 27.822 19.288 836 HB2 LEU 220 HB2 LEU 220 -2.050 25.332 20.888 837 HB3 LEU 220 HB1 LEU 220 -2.536 25.309 19.196 838 HG LEU 220 HG LEU 220 -0.051 26.665 20.272 839 HD11 LEU 220 HD11 LEU 220 1.202 24.865 19.232 840 HD12 LEU 220 HD12 LEU 220 -0.298 24.063 18.768 841 HD13 LEU 220 HD13 LEU 220 0.114 24.254 20.475 842 HD21 LEU 220 HD21 LEU 220 -0.871 27.810 18.282 843 HD22 LEU 220 HD22 LEU 220 -0.943 26.282 17.403 844 HD23 LEU 220 HD23 LEU 220 0.613 26.931 17.921 845 H ASP 221 HN ASP 221 -3.984 26.351 22.289 846 HA ASP 221 HA ASP 221 -6.310 25.203 21.246 847 HB2 ASP 221 HB2 ASP 221 -5.866 26.354 24.031 848 HB3 ASP 221 HB1 ASP 221 -7.216 25.325 23.575 849 H SER 222 HN SER 222 -5.629 28.533 22.116 850 HA SER 222 HA SER 222 -8.376 29.437 21.575 851 HB2 SER 222 HB2 SER 222 -7.053 30.524 23.363 852 HB3 SER 222 HB1 SER 222 -5.843 31.032 22.184 853 HG SER 222 HG SER 222 -8.551 31.861 22.404 854 H CYS 223 HN CYS 223 -5.215 29.421 19.956 855 HA CYS 223 HA CYS 223 -5.913 31.434 18.002 856 HB2 CYS 223 HB2 CYS 223 -3.416 29.796 18.524 857 HB3 CYS 223 HB1 CYS 223 -3.554 30.864 17.125 858 H LEU 224 HN LEU 224 -5.899 27.943 18.047 859 HA LEU 224 HA LEU 224 -5.928 27.632 15.155 860 HB2 LEU 224 HB2 LEU 224 -5.890 25.249 15.511 861 HB3 LEU 224 HB1 LEU 224 -4.750 25.977 16.624 862 HG LEU 224 HG LEU 224 -6.748 25.744 18.374 863 HD11 LEU 224 HD11 LEU 224 -7.480 23.528 16.429 864 HD12 LEU 224 HD12 LEU 224 -8.471 24.930 16.827 865 HD13 LEU 224 HD13 LEU 224 -8.122 23.725 18.063 866 HD21 LEU 224 HD21 LEU 224 -5.867 23.575 19.102 867 HD22 LEU 224 HD22 LEU 224 -4.561 24.651 18.607 868 HD23 LEU 224 HD23 LEU 224 -5.084 23.351 17.535 869 H SER 225 HN SER 225 -8.131 28.184 17.698 870 HA SER 225 HA SER 225 -10.508 27.144 16.475 871 HB2 SER 225 HB2 SER 225 -10.272 27.459 18.957 872 HB3 SER 225 HB1 SER 225 -10.248 29.203 18.712 873 HG SER 225 HG SER 225 -12.365 27.411 18.096 874 H ARG 226 HN ARG 226 -9.997 28.051 14.386 875 HA ARG 226 HA ARG 226 -10.426 30.915 13.899 876 HB2 ARG 226 HB2 ARG 226 -8.598 29.788 12.684 877 HB3 ARG 226 HB1 ARG 226 -9.702 28.561 12.084 878 HG2 ARG 226 HG2 ARG 226 -10.919 30.431 10.844 879 HG3 ARG 226 HG1 ARG 226 -9.572 31.482 11.279 880 HD2 ARG 226 HD2 ARG 226 -8.017 29.967 10.077 881 HD3 ARG 226 HD1 ARG 226 -9.377 28.923 9.642 882 HE ARG 226 HE ARG 226 -9.068 31.734 8.738 883 HH11 ARG 226 HH11 ARG 226 -10.214 28.465 8.087 884 HH12 ARG 226 HH12 ARG 226 -10.682 28.839 6.461 885 HH21 ARG 226 HH21 ARG 226 -9.708 32.190 6.626 886 HH22 ARG 226 HH22 ARG 226 -10.396 30.944 5.631 887 H GLU 227 HN GLU 227 -11.802 27.750 13.261 888 HA GLU 227 HA GLU 227 -14.264 28.879 12.101 889 HB2 GLU 227 HB2 GLU 227 -14.060 26.987 10.342 890 HB3 GLU 227 HB1 GLU 227 -13.001 28.379 10.152 891 HG2 GLU 227 HG2 GLU 227 -11.173 27.030 11.284 892 HG3 GLU 227 HG1 GLU 227 -12.240 25.633 11.190 Start of MODEL 14 1 H1 GLY -2 HT1 GLY -2 -2.852 4.433 -3.597 2 H2 GLY -2 HT2 GLY -2 -2.273 5.057 -2.133 3 H3 GLY -2 HT3 GLY -2 -3.482 3.874 -2.132 4 HA2 GLY -2 HA1 GLY -2 -1.327 2.939 -1.543 5 HA3 GLY -2 HA2 GLY -2 -1.991 2.242 -3.014 6 H SER -1 HN SER -1 0.312 4.614 -1.745 7 HA SER -1 HA SER -1 2.302 3.975 -3.715 8 HB2 SER -1 HB2 SER -1 0.922 5.596 -5.023 9 HB3 SER -1 HB1 SER -1 1.141 6.804 -3.757 10 HG SER -1 HG SER -1 3.154 5.647 -5.405 11 H HIS 0 HN HIS 0 1.269 6.444 -1.371 12 HA HIS 0 HA HIS 0 2.160 7.427 0.429 13 HB2 HIS 0 HB2 HIS 0 4.105 5.088 0.419 14 HB3 HIS 0 HB1 HIS 0 4.089 6.323 1.676 15 HD1 HIS 0 HD1 HIS 0 2.099 3.421 0.369 16 HD2 HIS 0 HD2 HIS 0 1.964 6.147 3.500 17 HE1 HIS 0 HE1 HIS 0 0.269 2.621 1.890 18 HE2 HIS 0 HE2 HIS 0 0.064 4.418 3.642 19 H MET 1 HN MET 1 3.028 9.330 0.277 20 HA MET 1 HA MET 1 5.419 9.859 -1.388 21 HB2 MET 1 HB2 MET 1 3.348 11.876 -0.398 22 HB3 MET 1 HB1 MET 1 4.565 12.116 -1.649 23 HG2 MET 1 HG2 MET 1 2.120 10.344 -1.824 24 HG3 MET 1 HG1 MET 1 2.384 11.875 -2.664 25 HE1 MET 1 HE1 MET 1 1.702 10.614 -4.973 26 HE2 MET 1 HE2 MET 1 1.473 9.129 -4.047 27 HE3 MET 1 HE3 MET 1 2.473 9.118 -5.498 28 H GLN 2 HN GLN 2 6.339 12.226 -0.350 29 HA GLN 2 HA GLN 2 6.666 11.821 2.560 30 HB2 GLN 2 HB2 GLN 2 8.718 12.650 0.498 31 HB3 GLN 2 HB1 GLN 2 8.922 13.100 2.188 32 HG2 GLN 2 HG2 GLN 2 8.918 10.741 2.845 33 HG3 GLN 2 HG1 GLN 2 8.615 10.256 1.191 34 HE21 GLN 2 HE21 GLN 2 10.812 9.518 2.955 35 HE22 GLN 2 HE22 GLN 2 12.262 9.986 2.143 36 H ILE 3 HN ILE 3 6.828 13.598 3.886 37 HA ILE 3 HA ILE 3 6.188 16.286 2.868 38 HB ILE 3 HB ILE 3 4.527 16.655 4.764 39 HG12 ILE 3 HG12 ILE 3 5.183 14.542 6.073 40 HG13 ILE 3 HG11 ILE 3 3.459 14.846 5.937 41 HG21 ILE 3 HG21 ILE 3 3.661 14.703 2.617 42 HG22 ILE 3 HG22 ILE 3 3.733 16.460 2.483 43 HG23 ILE 3 HG23 ILE 3 2.581 15.708 3.588 44 HD11 ILE 3 HD11 ILE 3 3.973 12.494 5.672 45 HD12 ILE 3 HD12 ILE 3 5.030 12.847 4.307 46 HD13 ILE 3 HD13 ILE 3 3.294 13.147 4.183 47 H PHE 4 HN PHE 4 6.516 17.956 4.538 48 HA PHE 4 HA PHE 4 8.830 17.299 6.270 49 HB2 PHE 4 HB2 PHE 4 8.052 19.965 4.973 50 HB3 PHE 4 HB1 PHE 4 9.454 19.706 6.009 51 HD1 PHE 4 HD1 PHE 4 7.989 19.007 2.680 52 HD2 PHE 4 HD2 PHE 4 11.458 18.640 5.150 53 HE1 PHE 4 HE1 PHE 4 9.333 18.401 0.712 54 HE2 PHE 4 HE2 PHE 4 12.791 18.043 3.178 55 HZ PHE 4 HZ PHE 4 11.734 17.920 0.959 56 H VAL 5 HN VAL 5 8.089 17.045 8.305 57 HA VAL 5 HA VAL 5 6.215 19.022 9.462 58 HB VAL 5 HB VAL 5 7.061 16.228 10.350 59 HG11 VAL 5 HG11 VAL 5 5.583 18.250 12.071 60 HG12 VAL 5 HG12 VAL 5 7.197 17.605 12.368 61 HG13 VAL 5 HG13 VAL 5 5.798 16.538 12.452 62 HG21 VAL 5 HG21 VAL 5 4.318 17.491 9.933 63 HG22 VAL 5 HG22 VAL 5 4.630 15.808 10.369 64 HG23 VAL 5 HG23 VAL 5 5.144 16.421 8.797 65 H LYS 6 HN LYS 6 7.187 20.708 10.333 66 HA LYS 6 HA LYS 6 10.032 20.553 11.152 67 HB2 LYS 6 HB2 LYS 6 9.224 22.000 9.117 68 HB3 LYS 6 HB1 LYS 6 8.495 23.056 10.316 69 HG2 LYS 6 HG2 LYS 6 10.522 24.116 9.968 70 HG3 LYS 6 HG1 LYS 6 10.923 23.099 11.356 71 HD2 LYS 6 HD2 LYS 6 11.902 21.412 9.834 72 HD3 LYS 6 HD1 LYS 6 11.477 22.419 8.446 73 HE2 LYS 6 HE2 LYS 6 12.943 24.238 9.550 74 HE3 LYS 6 HE1 LYS 6 13.545 22.936 10.583 75 HZ1 LYS 6 HZ1 LYS 6 14.264 21.754 8.627 76 HZ2 LYS 6 HZ2 LYS 6 14.951 23.287 8.657 77 HZ3 LYS 6 HZ3 LYS 6 13.658 22.962 7.618 78 H THR 7 HN THR 7 10.275 20.670 13.347 79 HA THR 7 HA THR 7 8.216 21.517 15.122 80 HB THR 7 HB THR 7 9.893 21.255 16.938 81 HG1 THR 7 HG1 THR 7 12.023 20.676 16.385 82 HG21 THR 7 HG21 THR 7 10.389 18.866 16.634 83 HG22 THR 7 HG22 THR 7 10.033 18.995 14.912 84 HG23 THR 7 HG23 THR 7 8.750 19.233 16.099 85 H LEU 8 HN LEU 8 8.390 23.208 16.716 86 HA LEU 8 HA LEU 8 8.998 25.792 15.727 87 HB2 LEU 8 HB2 LEU 8 8.529 24.865 18.580 88 HB3 LEU 8 HB1 LEU 8 8.482 26.537 18.041 89 HG LEU 8 HG LEU 8 6.543 24.354 17.190 90 HD11 LEU 8 HD11 LEU 8 6.146 26.692 19.077 91 HD12 LEU 8 HD12 LEU 8 6.239 24.987 19.526 92 HD13 LEU 8 HD13 LEU 8 4.895 25.564 18.546 93 HD21 LEU 8 HD21 LEU 8 6.843 26.005 15.396 94 HD22 LEU 8 HD22 LEU 8 6.517 27.320 16.531 95 HD23 LEU 8 HD23 LEU 8 5.247 26.162 16.128 96 H THR 9 HN THR 9 10.994 23.426 17.285 97 HA THR 9 HA THR 9 13.016 25.285 18.227 98 HB THR 9 HB THR 9 14.321 23.193 18.726 99 HG1 THR 9 HG1 THR 9 13.534 21.246 18.151 100 HG21 THR 9 HG21 THR 9 12.761 24.075 20.441 101 HG22 THR 9 HG22 THR 9 12.818 22.313 20.488 102 HG23 THR 9 HG23 THR 9 11.447 23.130 19.736 103 H GLY 10 HN GLY 10 12.345 23.405 15.328 104 HA2 GLY 10 HA2 GLY 10 13.217 24.365 13.248 105 HA3 GLY 10 HA1 GLY 10 14.774 24.549 14.033 106 H LYS 11 HN LYS 11 13.324 21.609 14.877 107 HA LYS 11 HA LYS 11 15.133 20.050 13.249 108 HB2 LYS 11 HB2 LYS 11 14.922 18.661 15.051 109 HB3 LYS 11 HB1 LYS 11 13.577 19.596 15.676 110 HG2 LYS 11 HG2 LYS 11 12.001 18.248 14.358 111 HG3 LYS 11 HG1 LYS 11 13.333 17.337 13.661 112 HD2 LYS 11 HD2 LYS 11 13.005 17.385 16.658 113 HD3 LYS 11 HD1 LYS 11 11.902 16.398 15.706 114 HE2 LYS 11 HE2 LYS 11 13.722 15.021 16.474 115 HE3 LYS 11 HE1 LYS 11 13.861 15.213 14.728 116 HZ1 LYS 11 HZ1 LYS 11 15.582 16.859 15.084 117 HZ2 LYS 11 HZ2 LYS 11 15.990 15.418 15.864 118 HZ3 LYS 11 HZ3 LYS 11 15.411 16.725 16.759 119 H THR 12 HN THR 12 14.564 18.629 11.555 120 HA THR 12 HA THR 12 11.859 18.985 10.379 121 HB THR 12 HB THR 12 14.330 17.923 8.931 122 HG1 THR 12 HG1 THR 12 14.613 20.092 9.696 123 HG21 THR 12 HG21 THR 12 12.144 17.371 7.864 124 HG22 THR 12 HG22 THR 12 13.059 18.521 6.885 125 HG23 THR 12 HG23 THR 12 11.705 19.076 7.874 126 H ILE 13 HN ILE 13 10.621 17.220 10.051 127 HA ILE 13 HA ILE 13 11.684 14.492 10.532 128 HB ILE 13 HB ILE 13 8.909 15.476 11.376 129 HG12 ILE 13 HG12 ILE 13 10.220 14.632 13.752 130 HG13 ILE 13 HG11 ILE 13 11.456 15.540 12.900 131 HG21 ILE 13 HG21 ILE 13 10.278 12.801 11.866 132 HG22 ILE 13 HG22 ILE 13 8.957 13.108 10.743 133 HG23 ILE 13 HG23 ILE 13 8.685 13.267 12.477 134 HD11 ILE 13 HD11 ILE 13 9.957 17.471 12.769 135 HD12 ILE 13 HD12 ILE 13 10.227 16.945 14.429 136 HD13 ILE 13 HD13 ILE 13 8.708 16.555 13.623 137 H THR 14 HN THR 14 11.702 13.705 8.466 138 HA THR 14 HA THR 14 9.577 14.358 6.564 139 HB THR 14 HB THR 14 12.076 12.638 6.214 140 HG1 THR 14 HG1 THR 14 12.422 14.919 6.563 141 HG21 THR 14 HG21 THR 14 11.637 12.852 3.776 142 HG22 THR 14 HG22 THR 14 10.121 13.684 4.123 143 HG23 THR 14 HG23 THR 14 10.327 11.993 4.586 144 H LEU 15 HN LEU 15 7.790 13.130 6.422 145 HA LEU 15 HA LEU 15 7.771 10.360 7.509 146 HB2 LEU 15 HB2 LEU 15 5.312 12.052 6.883 147 HB3 LEU 15 HB1 LEU 15 5.366 10.539 7.757 148 HG LEU 15 HG LEU 15 4.987 12.164 9.414 149 HD11 LEU 15 HD11 LEU 15 7.983 11.745 9.495 150 HD12 LEU 15 HD12 LEU 15 6.773 10.581 10.033 151 HD13 LEU 15 HD13 LEU 15 6.920 12.131 10.852 152 HD21 LEU 15 HD21 LEU 15 7.180 13.866 8.202 153 HD22 LEU 15 HD22 LEU 15 6.252 14.247 9.655 154 HD23 LEU 15 HD23 LEU 15 5.441 14.159 8.094 155 H GLU 16 HN GLU 16 6.534 8.778 6.318 156 HA GLU 16 HA GLU 16 6.579 9.217 3.387 157 HB2 GLU 16 HB2 GLU 16 7.301 6.672 4.912 158 HB3 GLU 16 HB1 GLU 16 7.305 6.862 3.158 159 HG2 GLU 16 HG2 GLU 16 9.116 8.473 3.277 160 HG3 GLU 16 HG1 GLU 16 9.052 8.481 5.037 161 H VAL 17 HN VAL 17 4.374 9.902 3.704 162 HA VAL 17 HA VAL 17 2.443 7.675 3.648 163 HB VAL 17 HB VAL 17 0.796 8.747 5.033 164 HG11 VAL 17 HG11 VAL 17 3.428 8.884 6.524 165 HG12 VAL 17 HG12 VAL 17 2.434 7.444 6.294 166 HG13 VAL 17 HG13 VAL 17 1.823 8.791 7.254 167 HG21 VAL 17 HG21 VAL 17 1.162 11.086 4.410 168 HG22 VAL 17 HG22 VAL 17 2.658 11.124 5.344 169 HG23 VAL 17 HG23 VAL 17 1.114 10.918 6.164 170 H GLU 18 HN GLU 18 0.290 8.476 2.825 171 HA GLU 18 HA GLU 18 0.754 10.047 0.399 172 HB2 GLU 18 HB2 GLU 18 -1.967 8.893 1.068 173 HB3 GLU 18 HB1 GLU 18 -1.153 9.017 -0.487 174 HG2 GLU 18 HG2 GLU 18 0.460 7.212 0.513 175 HG3 GLU 18 HG1 GLU 18 -0.833 6.942 1.668 176 HA PRO 19 HA PRO 19 -1.546 13.737 1.917 177 HB2 PRO 19 HB2 PRO 19 -2.993 14.250 -0.447 178 HB3 PRO 19 HB1 PRO 19 -1.397 14.888 -0.073 179 HG2 PRO 19 HG2 PRO 19 -2.144 12.500 -1.742 180 HG3 PRO 19 HG1 PRO 19 -0.877 13.713 -2.025 181 HD2 PRO 19 HD2 PRO 19 -0.262 11.273 -1.086 182 HD3 PRO 19 HD1 PRO 19 0.595 12.712 -0.490 183 H SER 20 HN SER 20 -3.078 11.073 0.182 184 HA SER 20 HA SER 20 -5.706 11.533 1.423 185 HB2 SER 20 HB2 SER 20 -5.595 11.256 -1.043 186 HB3 SER 20 HB1 SER 20 -4.845 9.677 -0.845 187 HG SER 20 HG SER 20 -7.240 9.995 0.490 188 H ASP 21 HN ASP 21 -3.173 10.324 2.739 189 HA ASP 21 HA ASP 21 -3.822 7.559 3.289 190 HB2 ASP 21 HB2 ASP 21 -1.475 8.513 3.215 191 HB3 ASP 21 HB1 ASP 21 -1.813 9.370 4.707 192 H THR 22 HN THR 22 -3.008 9.579 6.055 193 HA THR 22 HA THR 22 -5.429 10.529 6.957 194 HB THR 22 HB THR 22 -6.270 8.240 7.269 195 HG1 THR 22 HG1 THR 22 -6.921 9.777 8.815 196 HG21 THR 22 HG21 THR 22 -3.954 7.772 9.184 197 HG22 THR 22 HG22 THR 22 -4.123 7.032 7.591 198 HG23 THR 22 HG23 THR 22 -5.283 6.656 8.867 199 H ILE 23 HN ILE 23 -5.166 11.738 8.804 200 HA ILE 23 HA ILE 23 -2.592 12.652 9.447 201 HB ILE 23 HB ILE 23 -5.212 13.077 10.944 202 HG12 ILE 23 HG12 ILE 23 -5.320 13.907 8.605 203 HG13 ILE 23 HG11 ILE 23 -5.397 15.233 9.755 204 HG21 ILE 23 HG21 ILE 23 -2.628 14.654 11.199 205 HG22 ILE 23 HG22 ILE 23 -3.341 13.596 12.413 206 HG23 ILE 23 HG23 ILE 23 -4.167 15.079 11.956 207 HD11 ILE 23 HD11 ILE 23 -4.028 15.770 7.822 208 HD12 ILE 23 HD12 ILE 23 -2.957 14.417 8.179 209 HD13 ILE 23 HD13 ILE 23 -3.068 15.779 9.299 210 H GLU 24 HN GLU 24 -4.804 10.459 11.118 211 HA GLU 24 HA GLU 24 -3.669 10.073 13.608 212 HB2 GLU 24 HB2 GLU 24 -5.781 9.047 12.892 213 HB3 GLU 24 HB1 GLU 24 -4.941 8.038 11.724 214 HG2 GLU 24 HG2 GLU 24 -3.816 6.856 13.609 215 HG3 GLU 24 HG1 GLU 24 -4.747 7.838 14.744 216 H ASN 25 HN ASN 25 -2.852 8.578 10.543 217 HA ASN 25 HA ASN 25 -0.783 6.863 11.513 218 HB2 ASN 25 HB2 ASN 25 -2.159 6.570 9.402 219 HB3 ASN 25 HB1 ASN 25 -1.221 7.848 8.663 220 HD21 ASN 25 HD21 ASN 25 0.880 7.433 8.044 221 HD22 ASN 25 HD22 ASN 25 1.567 5.848 8.004 222 H VAL 26 HN VAL 26 -0.902 10.034 9.930 223 HA VAL 26 HA VAL 26 1.801 10.448 9.359 224 HB VAL 26 HB VAL 26 -0.193 12.635 10.152 225 HG11 VAL 26 HG11 VAL 26 1.239 14.189 8.848 226 HG12 VAL 26 HG12 VAL 26 2.391 12.885 8.550 227 HG13 VAL 26 HG13 VAL 26 2.132 13.475 10.191 228 HG21 VAL 26 HG21 VAL 26 0.453 11.545 7.392 229 HG22 VAL 26 HG22 VAL 26 -0.608 12.912 7.733 230 HG23 VAL 26 HG23 VAL 26 -1.048 11.298 8.281 231 H LYS 27 HN LYS 27 0.011 11.418 12.314 232 HA LYS 27 HA LYS 27 2.283 12.528 13.624 233 HB2 LYS 27 HB2 LYS 27 0.864 12.651 15.633 234 HB3 LYS 27 HB1 LYS 27 0.062 13.291 14.207 235 HG2 LYS 27 HG2 LYS 27 -1.208 11.121 14.034 236 HG3 LYS 27 HG1 LYS 27 -0.489 10.647 15.578 237 HD2 LYS 27 HD2 LYS 27 -2.691 11.566 16.012 238 HD3 LYS 27 HD1 LYS 27 -1.484 12.692 16.632 239 HE2 LYS 27 HE2 LYS 27 -1.751 14.021 14.498 240 HE3 LYS 27 HE1 LYS 27 -3.073 12.943 14.064 241 HZ1 LYS 27 HZ1 LYS 27 -3.906 14.961 15.067 242 HZ2 LYS 27 HZ2 LYS 27 -2.995 14.691 16.466 243 HZ3 LYS 27 HZ3 LYS 27 -4.252 13.639 16.064 244 H ALA 28 HN ALA 28 0.728 9.333 13.759 245 HA ALA 28 HA ALA 28 2.430 8.087 15.622 246 HB1 ALA 28 HB1 ALA 28 0.371 7.035 14.753 247 HB2 ALA 28 HB2 ALA 28 1.759 5.964 14.563 248 HB3 ALA 28 HB3 ALA 28 1.126 6.848 13.170 249 H LYS 29 HN LYS 29 3.005 9.009 12.258 250 HA LYS 29 HA LYS 29 5.382 7.438 11.914 251 HB2 LYS 29 HB2 LYS 29 4.508 9.874 10.322 252 HB3 LYS 29 HB1 LYS 29 5.829 8.801 9.892 253 HG2 LYS 29 HG2 LYS 29 2.873 8.183 9.876 254 HG3 LYS 29 HG1 LYS 29 3.944 8.348 8.498 255 HD2 LYS 29 HD2 LYS 29 3.897 6.059 8.570 256 HD3 LYS 29 HD1 LYS 29 5.197 6.290 9.736 257 HE2 LYS 29 HE2 LYS 29 3.459 6.180 11.565 258 HE3 LYS 29 HE1 LYS 29 2.267 5.777 10.330 259 HZ1 LYS 29 HZ1 LYS 29 3.218 3.827 11.486 260 HZ2 LYS 29 HZ2 LYS 29 4.727 4.197 10.818 261 HZ3 LYS 29 HZ3 LYS 29 3.435 3.785 9.809 262 H ILE 30 HN ILE 30 4.781 10.863 12.936 263 HA ILE 30 HA ILE 30 7.512 11.610 13.142 264 HB ILE 30 HB ILE 30 5.127 12.621 14.767 265 HG12 ILE 30 HG12 ILE 30 5.745 14.815 13.444 266 HG13 ILE 30 HG11 ILE 30 6.646 13.751 12.376 267 HG21 ILE 30 HG21 ILE 30 6.570 14.474 15.584 268 HG22 ILE 30 HG22 ILE 30 7.978 13.683 14.866 269 HG23 ILE 30 HG23 ILE 30 7.097 12.901 16.181 270 HD11 ILE 30 HD11 ILE 30 4.481 14.292 11.484 271 HD12 ILE 30 HD12 ILE 30 3.689 13.657 12.925 272 HD13 ILE 30 HD13 ILE 30 4.572 12.570 11.849 273 H GLN 31 HN GLN 31 5.328 9.969 15.391 274 HA GLN 31 HA GLN 31 7.113 9.585 17.556 275 HB2 GLN 31 HB2 GLN 31 4.640 9.321 17.731 276 HB3 GLN 31 HB1 GLN 31 4.719 7.878 16.726 277 HG2 GLN 31 HG2 GLN 31 6.045 6.729 18.445 278 HG3 GLN 31 HG1 GLN 31 6.050 8.186 19.434 279 HE21 GLN 31 HE21 GLN 31 3.203 6.980 17.693 280 HE22 GLN 31 HE22 GLN 31 2.301 6.581 19.112 281 H ASP 32 HN ASP 32 6.738 7.915 14.510 282 HA ASP 32 HA ASP 32 8.396 5.639 15.198 283 HB2 ASP 32 HB2 ASP 32 6.614 5.437 13.493 284 HB3 ASP 32 HB1 ASP 32 7.407 6.647 12.495 285 H LYS 33 HN LYS 33 8.918 8.861 13.841 286 HA LYS 33 HA LYS 33 11.529 8.160 12.686 287 HB2 LYS 33 HB2 LYS 33 10.039 10.815 12.706 288 HB3 LYS 33 HB1 LYS 33 11.553 10.526 11.860 289 HG2 LYS 33 HG2 LYS 33 8.971 9.056 11.260 290 HG3 LYS 33 HG1 LYS 33 9.485 10.518 10.424 291 HD2 LYS 33 HD2 LYS 33 11.464 9.355 9.556 292 HD3 LYS 33 HD1 LYS 33 11.026 7.894 10.451 293 HE2 LYS 33 HE2 LYS 33 8.982 7.653 9.110 294 HE3 LYS 33 HE1 LYS 33 9.327 9.167 8.271 295 HZ1 LYS 33 HZ1 LYS 33 11.023 6.733 8.176 296 HZ2 LYS 33 HZ2 LYS 33 11.313 8.175 7.348 297 HZ3 LYS 33 HZ3 LYS 33 9.966 7.235 6.956 298 H GLU 34 HN GLU 34 10.476 10.949 14.762 299 HA GLU 34 HA GLU 34 13.153 11.142 15.870 300 HB2 GLU 34 HB2 GLU 34 12.419 13.131 17.044 301 HB3 GLU 34 HB1 GLU 34 11.936 13.227 15.357 302 HG2 GLU 34 HG2 GLU 34 9.641 12.843 15.887 303 HG3 GLU 34 HG1 GLU 34 10.022 12.350 17.538 304 H GLY 35 HN GLY 35 10.035 9.899 16.885 305 HA2 GLY 35 HA2 GLY 35 9.882 8.018 18.308 306 HA3 GLY 35 HA1 GLY 35 11.403 8.463 19.064 307 H ILE 36 HN ILE 36 8.903 10.866 18.544 308 HA ILE 36 HA ILE 36 8.442 10.975 21.480 309 HB ILE 36 HB ILE 36 8.714 13.176 19.410 310 HG12 ILE 36 HG12 ILE 36 10.015 14.283 21.287 311 HG13 ILE 36 HG11 ILE 36 9.706 12.872 22.285 312 HG21 ILE 36 HG21 ILE 36 7.152 13.562 21.996 313 HG22 ILE 36 HG22 ILE 36 6.498 13.650 20.362 314 HG23 ILE 36 HG23 ILE 36 7.667 14.853 20.903 315 HD11 ILE 36 HD11 ILE 36 11.063 11.503 20.840 316 HD12 ILE 36 HD12 ILE 36 11.964 12.932 21.345 317 HD13 ILE 36 HD13 ILE 36 11.281 12.852 19.721 318 HA PRO 37 HA PRO 37 4.328 9.510 20.655 319 HB2 PRO 37 HB2 PRO 37 3.066 10.271 22.984 320 HB3 PRO 37 HB1 PRO 37 4.222 8.937 22.906 321 HG2 PRO 37 HG2 PRO 37 4.698 11.805 23.730 322 HG3 PRO 37 HG1 PRO 37 5.207 10.310 24.551 323 HD2 PRO 37 HD2 PRO 37 6.922 11.693 23.015 324 HD3 PRO 37 HD1 PRO 37 6.945 9.917 23.022 325 HA PRO 38 HA PRO 38 1.986 12.801 18.708 326 HB2 PRO 38 HB2 PRO 38 -0.589 11.761 18.776 327 HB3 PRO 38 HB1 PRO 38 0.667 11.226 17.653 328 HG2 PRO 38 HG2 PRO 38 -0.165 10.004 20.285 329 HG3 PRO 38 HG1 PRO 38 0.134 9.201 18.725 330 HD2 PRO 38 HD2 PRO 38 1.998 9.175 20.653 331 HD3 PRO 38 HD1 PRO 38 2.469 9.362 18.948 332 H ASP 39 HN ASP 39 1.346 11.891 21.953 333 HA ASP 39 HA ASP 39 -0.507 13.961 22.658 334 HB2 ASP 39 HB2 ASP 39 -0.215 11.884 23.994 335 HB3 ASP 39 HB1 ASP 39 1.427 12.371 24.403 336 H GLN 40 HN GLN 40 3.025 13.617 22.721 337 HA GLN 40 HA GLN 40 3.476 16.217 23.965 338 HB2 GLN 40 HB2 GLN 40 5.123 13.789 23.358 339 HB3 GLN 40 HB1 GLN 40 5.994 15.312 23.323 340 HG2 GLN 40 HG2 GLN 40 5.947 13.942 25.524 341 HG3 GLN 40 HG1 GLN 40 5.738 15.682 25.599 342 HE21 GLN 40 HE21 GLN 40 4.117 12.608 25.918 343 HE22 GLN 40 HE22 GLN 40 2.718 13.216 26.734 344 H GLN 41 HN GLN 41 3.588 14.818 20.782 345 HA GLN 41 HA GLN 41 4.590 17.359 19.649 346 HB2 GLN 41 HB2 GLN 41 5.191 16.036 17.625 347 HB3 GLN 41 HB1 GLN 41 6.047 15.540 19.070 348 HG2 GLN 41 HG2 GLN 41 5.560 13.454 18.291 349 HG3 GLN 41 HG1 GLN 41 4.061 13.734 19.145 350 HE21 GLN 41 HE21 GLN 41 3.313 12.061 17.667 351 HE22 GLN 41 HE22 GLN 41 2.744 12.527 16.112 352 H ARG 42 HN ARG 42 3.233 18.585 18.506 353 HA ARG 42 HA ARG 42 0.441 17.666 18.171 354 HB2 ARG 42 HB2 ARG 42 0.972 19.399 19.972 355 HB3 ARG 42 HB1 ARG 42 1.424 20.511 18.682 356 HG2 ARG 42 HG2 ARG 42 -0.872 20.447 17.804 357 HG3 ARG 42 HG1 ARG 42 -1.325 19.279 19.051 358 HD2 ARG 42 HD2 ARG 42 -0.634 21.001 20.777 359 HD3 ARG 42 HD1 ARG 42 -0.475 22.159 19.450 360 HE ARG 42 HE ARG 42 -2.990 21.182 19.135 361 HH11 ARG 42 HH11 ARG 42 -1.362 22.717 21.862 362 HH12 ARG 42 HH12 ARG 42 -2.839 23.330 22.545 363 HH21 ARG 42 HH21 ARG 42 -4.896 21.946 20.072 364 HH22 ARG 42 HH22 ARG 42 -4.829 22.873 21.535 365 H LEU 43 HN LEU 43 -0.442 17.840 16.186 366 HA LEU 43 HA LEU 43 1.274 18.743 13.984 367 HB2 LEU 43 HB2 LEU 43 -1.023 16.799 14.248 368 HB3 LEU 43 HB1 LEU 43 -0.741 17.522 12.678 369 HG LEU 43 HG LEU 43 0.335 15.322 12.833 370 HD11 LEU 43 HD11 LEU 43 2.552 15.956 12.036 371 HD12 LEU 43 HD12 LEU 43 2.366 17.570 12.732 372 HD13 LEU 43 HD13 LEU 43 1.324 17.056 11.406 373 HD21 LEU 43 HD21 LEU 43 0.747 15.264 15.255 374 HD22 LEU 43 HD22 LEU 43 2.000 16.495 15.087 375 HD23 LEU 43 HD23 LEU 43 2.215 14.906 14.348 376 H ILE 44 HN ILE 44 0.970 20.634 13.071 377 HA ILE 44 HA ILE 44 -1.702 21.813 12.760 378 HB ILE 44 HB ILE 44 0.670 23.192 14.107 379 HG12 ILE 44 HG12 ILE 44 -2.212 22.851 15.074 380 HG13 ILE 44 HG11 ILE 44 -0.886 21.795 15.538 381 HG21 ILE 44 HG21 ILE 44 -0.655 25.297 14.137 382 HG22 ILE 44 HG22 ILE 44 -1.882 24.534 13.121 383 HG23 ILE 44 HG23 ILE 44 -0.253 24.795 12.494 384 HD11 ILE 44 HD11 ILE 44 -1.406 23.388 17.254 385 HD12 ILE 44 HD12 ILE 44 -1.086 24.724 16.149 386 HD13 ILE 44 HD13 ILE 44 0.223 23.637 16.630 387 H PHE 45 HN PHE 45 -1.947 22.773 10.821 388 HA PHE 45 HA PHE 45 0.393 23.547 9.173 389 HB2 PHE 45 HB2 PHE 45 -0.488 21.388 8.323 390 HB3 PHE 45 HB1 PHE 45 -2.111 22.056 8.242 391 HD1 PHE 45 HD1 PHE 45 1.291 22.243 6.735 392 HD2 PHE 45 HD2 PHE 45 -2.825 23.330 6.297 393 HE1 PHE 45 HE1 PHE 45 1.714 22.905 4.408 394 HE2 PHE 45 HE2 PHE 45 -2.389 23.990 3.966 395 HZ PHE 45 HZ PHE 45 -0.125 23.778 3.019 396 H ALA 46 HN ALA 46 0.213 25.684 8.705 397 HA ALA 46 HA ALA 46 -0.583 27.754 8.224 398 HB1 ALA 46 HB1 ALA 46 -3.044 26.274 7.227 399 HB2 ALA 46 HB2 ALA 46 -1.586 26.597 6.291 400 HB3 ALA 46 HB3 ALA 46 -2.599 27.937 6.825 401 H GLY 47 HN GLY 47 -1.296 26.418 10.880 402 HA2 GLY 47 HA2 GLY 47 -2.014 27.612 12.792 403 HA3 GLY 47 HA1 GLY 47 -3.188 28.481 11.823 404 H LYS 48 HN LYS 48 -3.866 25.633 10.649 405 HA LYS 48 HA LYS 48 -6.016 25.093 12.559 406 HB2 LYS 48 HB2 LYS 48 -7.075 23.847 10.814 407 HB3 LYS 48 HB1 LYS 48 -6.344 25.227 10.011 408 HG2 LYS 48 HG2 LYS 48 -4.352 23.523 9.577 409 HG3 LYS 48 HG1 LYS 48 -5.589 22.314 9.870 410 HD2 LYS 48 HD2 LYS 48 -5.467 22.637 7.495 411 HD3 LYS 48 HD1 LYS 48 -6.965 23.387 8.037 412 HE2 LYS 48 HE2 LYS 48 -5.981 25.597 7.868 413 HE3 LYS 48 HE1 LYS 48 -4.391 24.909 7.529 414 HZ1 LYS 48 HZ1 LYS 48 -5.262 24.005 5.467 415 HZ2 LYS 48 HZ2 LYS 48 -5.474 25.683 5.522 416 HZ3 LYS 48 HZ3 LYS 48 -6.787 24.658 5.800 417 H GLN 49 HN GLN 49 -6.152 23.267 13.872 418 HA GLN 49 HA GLN 49 -3.798 21.581 14.171 419 HB2 GLN 49 HB2 GLN 49 -5.034 22.319 16.179 420 HB3 GLN 49 HB1 GLN 49 -6.476 21.475 15.628 421 HG2 GLN 49 HG2 GLN 49 -5.225 19.313 15.789 422 HG3 GLN 49 HG1 GLN 49 -3.841 20.193 16.426 423 HE21 GLN 49 HE21 GLN 49 -7.102 19.116 17.105 424 HE22 GLN 49 HE22 GLN 49 -7.039 19.374 18.812 425 H LEU 50 HN LEU 50 -3.581 19.469 13.545 426 HA LEU 50 HA LEU 50 -5.470 18.518 11.566 427 HB2 LEU 50 HB2 LEU 50 -2.843 17.258 12.382 428 HB3 LEU 50 HB1 LEU 50 -3.752 16.976 10.909 429 HG LEU 50 HG LEU 50 -2.086 19.408 11.644 430 HD11 LEU 50 HD11 LEU 50 -0.898 18.888 9.577 431 HD12 LEU 50 HD12 LEU 50 -1.952 17.496 9.313 432 HD13 LEU 50 HD13 LEU 50 -0.874 17.541 10.712 433 HD21 LEU 50 HD21 LEU 50 -2.801 20.503 9.555 434 HD22 LEU 50 HD22 LEU 50 -4.146 20.316 10.676 435 HD23 LEU 50 HD23 LEU 50 -4.001 19.232 9.291 436 H GLU 51 HN GLU 51 -7.065 17.160 12.065 437 HA GLU 51 HA GLU 51 -7.238 15.717 14.582 438 HB2 GLU 51 HB2 GLU 51 -9.228 16.915 13.798 439 HB3 GLU 51 HB1 GLU 51 -9.173 16.087 12.247 440 HG2 GLU 51 HG2 GLU 51 -9.643 13.927 13.460 441 HG3 GLU 51 HG1 GLU 51 -9.849 14.859 14.933 442 H ASP 52 HN ASP 52 -7.208 13.523 14.776 443 HA ASP 52 HA ASP 52 -5.603 11.943 13.184 444 HB2 ASP 52 HB2 ASP 52 -7.732 11.209 15.228 445 HB3 ASP 52 HB1 ASP 52 -6.688 9.997 14.491 446 H GLY 53 HN GLY 53 -9.170 12.055 13.201 447 HA2 GLY 53 HA2 GLY 53 -9.654 9.797 11.584 448 HA3 GLY 53 HA1 GLY 53 -10.783 11.105 11.888 449 H ARG 54 HN ARG 54 -8.928 13.112 10.732 450 HA ARG 54 HA ARG 54 -9.947 12.960 8.021 451 HB2 ARG 54 HB2 ARG 54 -8.304 15.108 9.420 452 HB3 ARG 54 HB1 ARG 54 -9.054 15.287 7.833 453 HG2 ARG 54 HG2 ARG 54 -11.295 14.886 8.949 454 HG3 ARG 54 HG1 ARG 54 -10.463 14.909 10.495 455 HD2 ARG 54 HD2 ARG 54 -9.680 17.207 9.986 456 HD3 ARG 54 HD1 ARG 54 -10.652 17.207 8.516 457 HE ARG 54 HE ARG 54 -12.293 16.534 10.706 458 HH11 ARG 54 HH11 ARG 54 -10.564 19.337 9.466 459 HH12 ARG 54 HH12 ARG 54 -11.633 20.469 10.224 460 HH21 ARG 54 HH21 ARG 54 -13.663 18.061 11.698 461 HH22 ARG 54 HH22 ARG 54 -13.363 19.755 11.477 462 H THR 55 HN THR 55 -8.374 13.938 6.284 463 HA THR 55 HA THR 55 -5.813 12.429 6.297 464 HB THR 55 HB THR 55 -5.967 12.601 3.761 465 HG1 THR 55 HG1 THR 55 -8.723 13.172 4.092 466 HG21 THR 55 HG21 THR 55 -7.603 10.787 3.479 467 HG22 THR 55 HG22 THR 55 -8.261 11.106 5.085 468 HG23 THR 55 HG23 THR 55 -6.608 10.510 4.912 469 H LEU 56 HN LEU 56 -4.107 13.493 4.874 470 HA LEU 56 HA LEU 56 -3.488 16.103 5.741 471 HB2 LEU 56 HB2 LEU 56 -2.410 14.477 3.404 472 HB3 LEU 56 HB1 LEU 56 -1.759 16.046 3.826 473 HG LEU 56 HG LEU 56 -1.704 13.606 5.659 474 HD11 LEU 56 HD11 LEU 56 0.547 14.810 4.003 475 HD12 LEU 56 HD12 LEU 56 -0.253 13.266 3.700 476 HD13 LEU 56 HD13 LEU 56 0.703 13.485 5.163 477 HD21 LEU 56 HD21 LEU 56 -0.147 14.915 7.043 478 HD22 LEU 56 HD22 LEU 56 -1.698 15.738 6.906 479 HD23 LEU 56 HD23 LEU 56 -0.322 16.303 5.960 480 H SER 57 HN SER 57 -4.696 14.880 2.636 481 HA SER 57 HA SER 57 -4.962 17.195 1.159 482 HB2 SER 57 HB2 SER 57 -6.383 14.524 1.095 483 HB3 SER 57 HB1 SER 57 -6.801 15.787 -0.055 484 HG SER 57 HG SER 57 -4.627 15.791 -0.719 485 H ASP 58 HN ASP 58 -7.076 15.927 3.677 486 HA ASP 58 HA ASP 58 -9.429 17.403 3.047 487 HB2 ASP 58 HB2 ASP 58 -9.275 15.376 4.584 488 HB3 ASP 58 HB1 ASP 58 -8.564 16.423 5.804 489 H TYR 59 HN TYR 59 -6.622 18.012 5.106 490 HA TYR 59 HA TYR 59 -7.575 20.615 5.996 491 HB2 TYR 59 HB2 TYR 59 -5.169 18.883 6.592 492 HB3 TYR 59 HB1 TYR 59 -5.166 20.577 7.068 493 HD1 TYR 59 HD2 TYR 59 -7.354 21.367 8.323 494 HD2 TYR 59 HD1 TYR 59 -5.980 17.330 8.206 495 HE1 TYR 59 HE2 TYR 59 -8.568 20.915 10.388 496 HE2 TYR 59 HE1 TYR 59 -7.213 16.874 10.279 497 HH TYR 59 HH TYR 59 -8.033 18.614 12.352 498 H ASN 60 HN ASN 60 -6.578 19.814 3.089 499 HA ASN 60 HA ASN 60 -5.772 20.891 1.280 500 HB2 ASN 60 HB2 ASN 60 -5.525 23.295 3.144 501 HB3 ASN 60 HB1 ASN 60 -5.201 23.363 1.417 502 HD21 ASN 60 HD21 ASN 60 -7.850 21.669 3.117 503 HD22 ASN 60 HD22 ASN 60 -9.118 22.551 2.356 504 H ILE 61 HN ILE 61 -4.099 19.391 3.137 505 HA ILE 61 HA ILE 61 -1.383 20.441 2.629 506 HB ILE 61 HB ILE 61 -2.119 17.883 4.118 507 HG12 ILE 61 HG12 ILE 61 -1.609 20.521 5.540 508 HG13 ILE 61 HG11 ILE 61 -3.231 20.009 5.089 509 HG21 ILE 61 HG21 ILE 61 0.248 18.063 3.462 510 HG22 ILE 61 HG22 ILE 61 0.077 18.138 5.215 511 HG23 ILE 61 HG23 ILE 61 0.380 19.615 4.297 512 HD11 ILE 61 HD11 ILE 61 -1.384 18.425 6.866 513 HD12 ILE 61 HD12 ILE 61 -3.081 18.072 6.490 514 HD13 ILE 61 HD13 ILE 61 -2.658 19.512 7.416 515 H GLN 62 HN GLN 62 0.010 19.314 1.269 516 HA GLN 62 HA GLN 62 -0.867 16.768 0.040 517 HB2 GLN 62 HB2 GLN 62 -0.076 17.519 -2.169 518 HB3 GLN 62 HB1 GLN 62 -1.371 18.566 -1.602 519 HG2 GLN 62 HG2 GLN 62 0.124 20.362 -1.153 520 HG3 GLN 62 HG1 GLN 62 1.542 19.319 -1.245 521 HE21 GLN 62 HE21 GLN 62 2.263 18.615 -3.285 522 HE22 GLN 62 HE22 GLN 62 1.823 19.444 -4.735 523 H LYS 63 HN LYS 63 1.268 16.107 -1.429 524 HA LYS 63 HA LYS 63 3.295 15.517 0.437 525 HB2 LYS 63 HB2 LYS 63 4.568 14.577 -1.365 526 HB3 LYS 63 HB1 LYS 63 2.880 14.146 -1.591 527 HG2 LYS 63 HG2 LYS 63 2.626 15.664 -3.419 528 HG3 LYS 63 HG1 LYS 63 4.160 16.467 -3.068 529 HD2 LYS 63 HD2 LYS 63 3.833 13.606 -4.062 530 HD3 LYS 63 HD1 LYS 63 4.370 14.983 -5.029 531 HE2 LYS 63 HE2 LYS 63 6.355 15.219 -3.555 532 HE3 LYS 63 HE1 LYS 63 5.829 13.812 -2.629 533 HZ1 LYS 63 HZ1 LYS 63 6.573 13.835 -5.504 534 HZ2 LYS 63 HZ2 LYS 63 6.042 12.485 -4.638 535 HZ3 LYS 63 HZ3 LYS 63 7.504 13.220 -4.234 536 H GLU 64 HN GLU 64 5.354 16.295 0.684 537 HA GLU 64 HA GLU 64 7.089 17.674 0.852 538 HB2 GLU 64 HB2 GLU 64 6.141 18.910 -1.768 539 HB3 GLU 64 HB1 GLU 64 7.718 19.165 -1.031 540 HG2 GLU 64 HG2 GLU 64 6.673 16.510 -2.072 541 HG3 GLU 64 HG1 GLU 64 7.776 17.577 -2.929 542 H SER 65 HN SER 65 3.997 18.616 1.393 543 HA SER 65 HA SER 65 4.292 21.441 1.778 544 HB2 SER 65 HB2 SER 65 2.320 19.465 3.001 545 HB3 SER 65 HB1 SER 65 2.195 21.222 3.136 546 HG SER 65 HG SER 65 2.372 19.951 0.618 547 H THR 66 HN THR 66 4.913 22.563 3.570 548 HA THR 66 HA THR 66 6.232 21.070 5.735 549 HB THR 66 HB THR 66 6.513 24.033 5.063 550 HG1 THR 66 HG1 THR 66 7.245 22.331 3.445 551 HG21 THR 66 HG21 THR 66 8.241 22.175 6.751 552 HG22 THR 66 HG22 THR 66 7.180 23.437 7.380 553 HG23 THR 66 HG23 THR 66 8.584 23.872 6.403 554 H LEU 67 HN LEU 67 5.150 20.877 7.552 555 HA LEU 67 HA LEU 67 3.127 22.869 8.358 556 HB2 LEU 67 HB2 LEU 67 1.886 20.949 9.452 557 HB3 LEU 67 HB1 LEU 67 1.816 21.006 7.709 558 HG LEU 67 HG LEU 67 3.777 19.156 9.100 559 HD11 LEU 67 HD11 LEU 67 1.538 18.668 10.041 560 HD12 LEU 67 HD12 LEU 67 2.128 17.355 9.024 561 HD13 LEU 67 HD13 LEU 67 0.897 18.461 8.407 562 HD21 LEU 67 HD21 LEU 67 4.084 19.479 6.669 563 HD22 LEU 67 HD22 LEU 67 2.415 18.980 6.382 564 HD23 LEU 67 HD23 LEU 67 3.583 17.829 7.036 565 H HIS 68 HN HIS 68 3.003 23.351 10.522 566 HA HIS 68 HA HIS 68 5.529 23.197 11.912 567 HB2 HIS 68 HB2 HIS 68 2.923 24.651 12.487 568 HB3 HIS 68 HB1 HIS 68 4.277 24.673 13.618 569 HD1 HIS 68 HD1 HIS 68 3.151 26.088 10.350 570 HD2 HIS 68 HD2 HIS 68 6.524 26.155 12.777 571 HE1 HIS 68 HE1 HIS 68 4.570 27.970 9.485 572 HE2 HIS 68 HE2 HIS 68 6.685 27.853 10.844 573 H LEU 69 HN LEU 69 6.054 21.920 13.485 574 HA LEU 69 HA LEU 69 4.097 20.237 14.896 575 HB2 LEU 69 HB2 LEU 69 6.139 19.277 13.630 576 HB3 LEU 69 HB1 LEU 69 7.138 19.984 14.876 577 HG LEU 69 HG LEU 69 6.722 17.519 15.137 578 HD11 LEU 69 HD11 LEU 69 6.356 17.497 17.514 579 HD12 LEU 69 HD12 LEU 69 5.633 19.105 17.468 580 HD13 LEU 69 HD13 LEU 69 7.343 18.891 17.090 581 HD21 LEU 69 HD21 LEU 69 4.437 17.422 14.296 582 HD22 LEU 69 HD22 LEU 69 3.858 18.326 15.698 583 HD23 LEU 69 HD23 LEU 69 4.544 16.715 15.905 584 H VAL 70 HN VAL 70 3.684 20.709 16.958 585 HA VAL 70 HA VAL 70 5.376 22.662 18.407 586 HB VAL 70 HB VAL 70 2.418 22.026 18.820 587 HG11 VAL 70 HG11 VAL 70 4.203 24.073 20.202 588 HG12 VAL 70 HG12 VAL 70 3.505 22.628 20.936 589 HG13 VAL 70 HG13 VAL 70 2.458 23.939 20.411 590 HG21 VAL 70 HG21 VAL 70 3.742 24.489 17.596 591 HG22 VAL 70 HG22 VAL 70 2.018 24.307 17.914 592 HG23 VAL 70 HG23 VAL 70 2.806 23.272 16.725 593 H LEU 71 HN LEU 71 6.506 21.862 19.992 594 HA LEU 71 HA LEU 71 6.146 19.167 21.000 595 HB2 LEU 71 HB2 LEU 71 8.189 21.339 21.605 596 HB3 LEU 71 HB1 LEU 71 8.244 19.712 22.265 597 HG LEU 71 HG LEU 71 8.432 20.384 19.305 598 HD11 LEU 71 HD11 LEU 71 10.612 19.539 21.238 599 HD12 LEU 71 HD12 LEU 71 10.419 21.139 20.519 600 HD13 LEU 71 HD13 LEU 71 10.800 19.758 19.494 601 HD21 LEU 71 HD21 LEU 71 9.011 18.009 19.006 602 HD22 LEU 71 HD22 LEU 71 7.404 18.181 19.703 603 HD23 LEU 71 HD23 LEU 71 8.762 17.715 20.731 604 H ARG 72 HN ARG 72 5.981 18.632 23.227 605 HA ARG 72 HA ARG 72 4.978 20.736 25.076 606 HB2 ARG 72 HB2 ARG 72 3.954 17.864 24.846 607 HB3 ARG 72 HB1 ARG 72 3.452 19.031 26.069 608 HG2 ARG 72 HG2 ARG 72 2.566 20.479 24.199 609 HG3 ARG 72 HG1 ARG 72 2.910 19.150 23.092 610 HD2 ARG 72 HD2 ARG 72 1.425 17.688 24.479 611 HD3 ARG 72 HD1 ARG 72 0.999 19.102 25.449 612 HE ARG 72 HE ARG 72 0.413 18.808 22.555 613 HH11 ARG 72 HH11 ARG 72 -0.471 20.107 25.696 614 HH12 ARG 72 HH12 ARG 72 -2.014 20.687 25.166 615 HH21 ARG 72 HH21 ARG 72 -1.636 19.556 21.876 616 HH22 ARG 72 HH22 ARG 72 -2.683 20.349 23.004 617 H LEU 73 HN LEU 73 6.415 17.494 24.795 618 HA LEU 73 HA LEU 73 7.671 16.176 26.124 619 HB2 LEU 73 HB2 LEU 73 9.017 18.870 26.438 620 HB3 LEU 73 HB1 LEU 73 9.668 17.462 27.253 621 HG LEU 73 HG LEU 73 10.911 17.818 25.202 622 HD11 LEU 73 HD11 LEU 73 10.575 15.489 25.839 623 HD12 LEU 73 HD12 LEU 73 10.673 15.655 24.090 624 HD13 LEU 73 HD13 LEU 73 9.105 15.407 24.862 625 HD21 LEU 73 HD21 LEU 73 9.266 19.097 23.926 626 HD22 LEU 73 HD22 LEU 73 8.289 17.646 23.687 627 HD23 LEU 73 HD23 LEU 73 9.898 17.759 22.968 628 H ARG 74 HN ARG 74 5.277 16.888 27.318 629 HA ARG 74 HA ARG 74 5.570 17.569 30.095 630 HB2 ARG 74 HB2 ARG 74 3.248 16.274 28.602 631 HB3 ARG 74 HB1 ARG 74 3.160 16.932 30.234 632 HG2 ARG 74 HG2 ARG 74 3.893 18.599 27.808 633 HG3 ARG 74 HG1 ARG 74 2.241 18.411 28.389 634 HD2 ARG 74 HD2 ARG 74 4.522 19.540 30.054 635 HD3 ARG 74 HD1 ARG 74 3.351 20.516 29.162 636 HE ARG 74 HE ARG 74 1.676 19.111 30.618 637 HH11 ARG 74 HH11 ARG 74 4.713 20.527 31.739 638 HH12 ARG 74 HH12 ARG 74 4.118 20.780 33.346 639 HH21 ARG 74 HH21 ARG 74 0.950 19.463 32.732 640 HH22 ARG 74 HH22 ARG 74 2.008 20.181 33.903 641 H GLY 75 HN GLY 75 5.690 14.601 28.257 642 HA2 GLY 75 HA2 GLY 75 5.769 12.865 30.615 643 HA3 GLY 75 HA1 GLY 75 5.918 12.380 28.930 644 H GLY 76 HN GLY 76 7.943 14.975 29.332 645 HA2 GLY 76 HA2 GLY 76 10.222 15.232 29.656 646 HA3 GLY 76 HA1 GLY 76 10.324 13.585 30.267 647 H1 GLY 195 HN GLY 195 18.857 15.745 23.791 648 HA2 GLY 195 HA2 GLY 195 16.569 15.712 23.539 649 HA3 GLY 195 HA1 GLY 195 16.415 15.028 25.152 650 H SER 196 HN SER 196 15.741 16.336 26.770 651 HA SER 196 HA SER 196 16.316 19.112 27.015 652 HB2 SER 196 HB2 SER 196 14.475 19.286 25.312 653 HB3 SER 196 HB1 SER 196 13.389 18.444 26.417 654 HG SER 196 HG SER 196 12.990 20.523 26.855 655 H ARG 197 HN ARG 197 15.626 19.946 29.033 656 HA ARG 197 HA ARG 197 14.175 18.257 30.935 657 HB2 ARG 197 HB2 ARG 197 16.012 18.375 32.619 658 HB3 ARG 197 HB1 ARG 197 16.498 17.478 31.185 659 HG2 ARG 197 HG2 ARG 197 17.697 19.512 30.363 660 HG3 ARG 197 HG1 ARG 197 17.276 20.330 31.869 661 HD2 ARG 197 HD2 ARG 197 18.503 18.483 33.100 662 HD3 ARG 197 HD1 ARG 197 19.054 17.898 31.527 663 HE ARG 197 HE ARG 197 20.138 20.117 31.229 664 HH11 ARG 197 HH11 ARG 197 19.447 19.001 34.486 665 HH12 ARG 197 HH12 ARG 197 20.713 19.931 35.211 666 HH21 ARG 197 HH21 ARG 197 21.810 21.341 32.195 667 HH22 ARG 197 HH22 ARG 197 22.035 21.281 33.913 668 H GLN 198 HN GLN 198 13.852 20.819 29.499 669 HA GLN 198 HA GLN 198 13.178 22.598 31.718 670 HB2 GLN 198 HB2 GLN 198 14.380 24.538 30.735 671 HB3 GLN 198 HB1 GLN 198 15.514 23.261 31.163 672 HG2 GLN 198 HG2 GLN 198 15.609 22.549 28.794 673 HG3 GLN 198 HG1 GLN 198 14.481 23.833 28.368 674 HE21 GLN 198 HE21 GLN 198 17.139 24.223 30.669 675 HE22 GLN 198 HE22 GLN 198 18.070 25.287 29.682 676 H VAL 199 HN VAL 199 11.802 24.423 30.951 677 HA VAL 199 HA VAL 199 10.052 23.764 28.758 678 HB VAL 199 HB VAL 199 9.161 24.922 30.757 679 HG11 VAL 199 HG11 VAL 199 10.820 27.337 29.945 680 HG12 VAL 199 HG12 VAL 199 11.085 26.323 31.362 681 HG13 VAL 199 HG13 VAL 199 9.619 27.295 31.241 682 HG21 VAL 199 HG21 VAL 199 7.949 25.181 28.627 683 HG22 VAL 199 HG22 VAL 199 8.886 26.626 28.247 684 HG23 VAL 199 HG23 VAL 199 7.776 26.629 29.620 685 H THR 200 HN THR 200 10.286 24.354 26.672 686 HA THR 200 HA THR 200 12.660 25.843 25.844 687 HB THR 200 HB THR 200 10.565 24.400 24.148 688 HG1 THR 200 HG1 THR 200 11.468 22.666 24.894 689 HG21 THR 200 HG21 THR 200 12.333 24.333 22.416 690 HG22 THR 200 HG22 THR 200 13.399 25.283 23.453 691 HG23 THR 200 HG23 THR 200 11.906 25.991 22.832 692 H LYS 201 HN LYS 201 12.648 27.828 24.907 693 HA LYS 201 HA LYS 201 10.188 29.387 24.751 694 HB2 LYS 201 HB2 LYS 201 13.084 30.105 24.149 695 HB3 LYS 201 HB1 LYS 201 11.739 31.252 24.159 696 HG2 LYS 201 HG2 LYS 201 11.418 31.033 26.508 697 HG3 LYS 201 HG1 LYS 201 12.411 29.573 26.590 698 HD2 LYS 201 HD2 LYS 201 14.411 30.916 26.013 699 HD3 LYS 201 HD1 LYS 201 13.416 32.380 25.994 700 HE2 LYS 201 HE2 LYS 201 13.795 30.570 28.396 701 HE3 LYS 201 HE1 LYS 201 14.679 32.059 28.106 702 HZ1 LYS 201 HZ1 LYS 201 11.737 31.914 28.351 703 HZ2 LYS 201 HZ2 LYS 201 12.680 33.314 28.261 704 HZ3 LYS 201 HZ3 LYS 201 12.776 32.314 29.621 705 H VAL 202 HN VAL 202 9.055 29.606 22.941 706 HA VAL 202 HA VAL 202 10.080 28.852 20.286 707 HB VAL 202 HB VAL 202 8.034 27.317 19.999 708 HG11 VAL 202 HG11 VAL 202 10.135 26.383 21.999 709 HG12 VAL 202 HG12 VAL 202 10.267 26.323 20.240 710 HG13 VAL 202 HG13 VAL 202 9.064 25.333 21.066 711 HG21 VAL 202 HG21 VAL 202 7.956 27.450 23.048 712 HG22 VAL 202 HG22 VAL 202 6.999 26.363 22.037 713 HG23 VAL 202 HG23 VAL 202 6.736 28.103 21.950 714 H ASP 203 HN ASP 203 7.992 28.988 18.741 715 HA ASP 203 HA ASP 203 6.560 31.507 19.393 716 HB2 ASP 203 HB2 ASP 203 7.738 30.590 16.736 717 HB3 ASP 203 HB1 ASP 203 6.545 31.883 16.847 718 H CYS 204 HN CYS 204 4.435 31.631 18.959 719 HA CYS 204 HA CYS 204 2.857 29.266 18.582 720 HB2 CYS 204 HB2 CYS 204 2.170 31.104 20.105 721 HB3 CYS 204 HB1 CYS 204 2.059 32.196 18.741 722 HA PRO 205 HA PRO 205 3.693 29.729 14.128 723 HB2 PRO 205 HB2 PRO 205 2.275 27.516 13.246 724 HB3 PRO 205 HB1 PRO 205 3.877 27.431 13.988 725 HG2 PRO 205 HG2 PRO 205 1.170 27.048 15.279 726 HG3 PRO 205 HG1 PRO 205 2.622 26.025 15.407 727 HD2 PRO 205 HD2 PRO 205 2.034 27.764 17.344 728 HD3 PRO 205 HD1 PRO 205 3.719 27.545 16.828 729 H VAL 206 HN VAL 206 0.593 29.976 15.539 730 HA VAL 206 HA VAL 206 -0.882 30.386 13.069 731 HB VAL 206 HB VAL 206 -1.940 30.887 15.883 732 HG11 VAL 206 HG11 VAL 206 -4.118 30.290 14.872 733 HG12 VAL 206 HG12 VAL 206 -3.331 30.057 13.310 734 HG13 VAL 206 HG13 VAL 206 -3.367 31.659 14.049 735 HG21 VAL 206 HG21 VAL 206 -2.695 28.524 15.985 736 HG22 VAL 206 HG22 VAL 206 -0.936 28.637 15.927 737 HG23 VAL 206 HG23 VAL 206 -1.833 28.181 14.482 738 H CYS 207 HN CYS 207 -0.288 32.398 16.023 739 HA CYS 207 HA CYS 207 -0.898 34.844 14.484 740 HB2 CYS 207 HB2 CYS 207 -1.312 35.943 16.603 741 HB3 CYS 207 HB1 CYS 207 -2.176 34.409 16.602 742 H GLY 208 HN GLY 208 1.799 33.140 15.509 743 HA2 GLY 208 HA2 GLY 208 4.034 33.534 15.264 744 HA3 GLY 208 HA1 GLY 208 3.619 35.041 14.473 745 H VAL 209 HN VAL 209 3.102 33.966 17.860 746 HA VAL 209 HA VAL 209 4.722 36.283 18.786 747 HB VAL 209 HB VAL 209 3.357 36.405 20.812 748 HG11 VAL 209 HG11 VAL 209 1.566 36.339 18.352 749 HG12 VAL 209 HG12 VAL 209 2.564 37.696 18.874 750 HG13 VAL 209 HG13 VAL 209 1.206 37.172 19.869 751 HG21 VAL 209 HG21 VAL 209 2.783 34.035 21.129 752 HG22 VAL 209 HG22 VAL 209 1.716 34.082 19.724 753 HG23 VAL 209 HG23 VAL 209 1.327 35.030 21.162 754 H ASN 210 HN ASN 210 6.432 35.887 20.135 755 HA ASN 210 HA ASN 210 7.234 33.142 20.615 756 HB2 ASN 210 HB2 ASN 210 8.925 34.805 19.885 757 HB3 ASN 210 HB1 ASN 210 8.681 35.718 21.373 758 HD21 ASN 210 HD21 ASN 210 9.822 32.641 20.068 759 HD22 ASN 210 HD22 ASN 210 10.842 32.245 21.405 760 H ILE 211 HN ILE 211 6.925 32.054 22.406 761 HA ILE 211 HA ILE 211 6.373 33.195 25.026 762 HB ILE 211 HB ILE 211 4.209 31.735 25.130 763 HG12 ILE 211 HG12 ILE 211 4.601 31.875 22.105 764 HG13 ILE 211 HG11 ILE 211 4.461 30.430 23.097 765 HG21 ILE 211 HG21 ILE 211 4.128 34.200 25.173 766 HG22 ILE 211 HG22 ILE 211 2.752 33.524 24.304 767 HG23 ILE 211 HG23 ILE 211 4.095 34.235 23.407 768 HD11 ILE 211 HD11 ILE 211 2.283 32.406 22.456 769 HD12 ILE 211 HD12 ILE 211 2.111 31.043 23.566 770 HD13 ILE 211 HD13 ILE 211 2.451 30.753 21.860 771 HA PRO 212 HA PRO 212 8.265 29.261 26.313 772 HB2 PRO 212 HB2 PRO 212 6.764 28.584 28.559 773 HB3 PRO 212 HB1 PRO 212 8.070 29.775 28.557 774 HG2 PRO 212 HG2 PRO 212 5.097 30.225 28.334 775 HG3 PRO 212 HG1 PRO 212 6.291 31.096 29.324 776 HD2 PRO 212 HD2 PRO 212 5.408 32.137 27.007 777 HD3 PRO 212 HD1 PRO 212 7.111 32.318 27.485 778 H GLU 213 HN GLU 213 7.866 26.985 26.406 779 HA GLU 213 HA GLU 213 6.183 26.045 24.384 780 HB2 GLU 213 HB2 GLU 213 8.379 25.096 25.070 781 HB3 GLU 213 HB1 GLU 213 7.651 24.478 26.540 782 HG2 GLU 213 HG2 GLU 213 6.225 22.976 25.193 783 HG3 GLU 213 HG1 GLU 213 6.954 23.619 23.720 784 H SER 214 HN SER 214 5.724 26.110 27.871 785 HA SER 214 HA SER 214 3.398 24.514 28.093 786 HB2 SER 214 HB2 SER 214 3.089 25.901 30.231 787 HB3 SER 214 HB1 SER 214 4.664 25.122 30.067 788 HG SER 214 HG SER 214 4.921 27.282 30.691 789 H HIS 215 HN HIS 215 3.837 28.032 27.673 790 HA HIS 215 HA HIS 215 0.996 28.564 27.442 791 HB2 HIS 215 HB2 HIS 215 3.432 30.372 27.230 792 HB3 HIS 215 HB1 HIS 215 1.787 30.960 27.007 793 HD1 HIS 215 HD1 HIS 215 3.545 32.063 29.248 794 HD2 HIS 215 HD2 HIS 215 0.872 28.921 29.742 795 HE1 HIS 215 HE1 HIS 215 2.983 32.033 31.686 796 HE2 HIS 215 HE2 HIS 215 1.541 30.004 31.986 797 H ILE 216 HN ILE 216 3.387 27.573 25.205 798 HA ILE 216 HA ILE 216 2.278 28.919 22.926 799 HB ILE 216 HB ILE 216 4.703 27.943 23.081 800 HG12 ILE 216 HG12 ILE 216 3.642 29.010 21.027 801 HG13 ILE 216 HG11 ILE 216 4.934 27.872 20.686 802 HG21 ILE 216 HG21 ILE 216 3.315 25.429 22.095 803 HG22 ILE 216 HG22 ILE 216 4.182 25.620 23.609 804 HG23 ILE 216 HG23 ILE 216 5.058 25.714 22.090 805 HD11 ILE 216 HD11 ILE 216 1.975 27.398 20.368 806 HD12 ILE 216 HD12 ILE 216 3.218 26.168 20.128 807 HD13 ILE 216 HD13 ILE 216 3.180 27.592 19.099 808 H ASN 217 HN ASN 217 2.017 25.607 24.301 809 HA ASN 217 HA ASN 217 0.088 24.704 22.420 810 HB2 ASN 217 HB2 ASN 217 0.776 23.734 25.213 811 HB3 ASN 217 HB1 ASN 217 -0.469 22.959 24.231 812 HD21 ASN 217 HD21 ASN 217 2.948 23.503 24.593 813 HD22 ASN 217 HD22 ASN 217 3.451 22.386 23.383 814 H LYS 218 HN LYS 218 -0.242 26.375 25.524 815 HA LYS 218 HA LYS 218 -3.033 26.445 25.757 816 HB2 LYS 218 HB2 LYS 218 -1.481 27.260 27.508 817 HB3 LYS 218 HB1 LYS 218 -0.989 28.596 26.479 818 HG2 LYS 218 HG2 LYS 218 -2.546 29.335 28.235 819 HG3 LYS 218 HG1 LYS 218 -3.224 29.589 26.627 820 HD2 LYS 218 HD2 LYS 218 -4.931 28.721 28.158 821 HD3 LYS 218 HD1 LYS 218 -4.606 27.561 26.872 822 HE2 LYS 218 HE2 LYS 218 -3.104 26.316 28.472 823 HE3 LYS 218 HE1 LYS 218 -3.629 27.421 29.746 824 HZ1 LYS 218 HZ1 LYS 218 -4.899 25.375 29.774 825 HZ2 LYS 218 HZ2 LYS 218 -5.381 25.616 28.174 826 HZ3 LYS 218 HZ3 LYS 218 -5.905 26.675 29.378 827 H HIS 219 HN HIS 219 -0.872 28.743 24.094 828 HA HIS 219 HA HIS 219 -2.849 30.544 23.213 829 HB2 HIS 219 HB2 HIS 219 -0.022 30.433 23.077 830 HB3 HIS 219 HB1 HIS 219 -0.520 30.484 21.395 831 HD2 HIS 219 HD2 HIS 219 -1.243 32.570 24.660 832 HE1 HIS 219 HE1 HIS 219 -1.186 35.167 21.338 833 HE2 HIS 219 HE2 HIS 219 -1.593 34.982 23.817 834 H LEU 220 HN LEU 220 -1.643 27.559 21.868 835 HA LEU 220 HA LEU 220 -2.644 27.810 19.243 836 HB2 LEU 220 HB2 LEU 220 -2.130 25.345 20.924 837 HB3 LEU 220 HB1 LEU 220 -2.523 25.295 19.205 838 HG LEU 220 HG LEU 220 -0.090 26.650 20.396 839 HD11 LEU 220 HD11 LEU 220 1.195 24.826 19.438 840 HD12 LEU 220 HD12 LEU 220 -0.296 24.012 18.968 841 HD13 LEU 220 HD13 LEU 220 0.071 24.268 20.674 842 HD21 LEU 220 HD21 LEU 220 -0.876 26.234 17.501 843 HD22 LEU 220 HD22 LEU 220 0.694 26.807 18.056 844 HD23 LEU 220 HD23 LEU 220 -0.743 27.771 18.358 845 H ASP 221 HN ASP 221 -4.035 26.266 22.151 846 HA ASP 221 HA ASP 221 -6.400 25.315 20.983 847 HB2 ASP 221 HB2 ASP 221 -5.756 26.104 23.845 848 HB3 ASP 221 HB1 ASP 221 -7.317 25.434 23.392 849 H SER 222 HN SER 222 -5.552 28.504 22.104 850 HA SER 222 HA SER 222 -8.211 29.638 21.801 851 HB2 SER 222 HB2 SER 222 -6.610 30.629 23.391 852 HB3 SER 222 HB1 SER 222 -5.470 30.953 22.084 853 HG SER 222 HG SER 222 -6.493 32.745 21.763 854 H CYS 223 HN CYS 223 -5.234 29.461 19.894 855 HA CYS 223 HA CYS 223 -6.076 31.405 17.946 856 HB2 CYS 223 HB2 CYS 223 -3.534 29.832 18.405 857 HB3 CYS 223 HB1 CYS 223 -3.745 30.842 16.968 858 H LEU 224 HN LEU 224 -6.206 27.949 18.115 859 HA LEU 224 HA LEU 224 -6.362 27.557 15.218 860 HB2 LEU 224 HB2 LEU 224 -6.338 25.165 15.650 861 HB3 LEU 224 HB1 LEU 224 -5.059 25.933 16.565 862 HG LEU 224 HG LEU 224 -6.787 25.796 18.579 863 HD11 LEU 224 HD11 LEU 224 -8.206 23.795 18.563 864 HD12 LEU 224 HD12 LEU 224 -7.824 23.525 16.860 865 HD13 LEU 224 HD13 LEU 224 -8.727 24.961 17.348 866 HD21 LEU 224 HD21 LEU 224 -4.607 24.682 18.532 867 HD22 LEU 224 HD22 LEU 224 -5.296 23.344 17.612 868 HD23 LEU 224 HD23 LEU 224 -5.835 23.651 19.262 869 H SER 225 HN SER 225 -8.324 27.902 18.023 870 HA SER 225 HA SER 225 -10.836 27.061 16.938 871 HB2 SER 225 HB2 SER 225 -10.439 27.203 19.388 872 HB3 SER 225 HB1 SER 225 -10.162 28.936 19.256 873 HG SER 225 HG SER 225 -12.558 28.191 18.188 874 H ARG 226 HN ARG 226 -10.583 28.053 14.856 875 HA ARG 226 HA ARG 226 -11.721 30.605 14.416 876 HB2 ARG 226 HB2 ARG 226 -9.328 31.223 15.212 877 HB3 ARG 226 HB1 ARG 226 -8.729 30.465 13.751 878 HG2 ARG 226 HG2 ARG 226 -10.717 32.746 13.601 879 HG3 ARG 226 HG1 ARG 226 -9.009 33.065 13.861 880 HD2 ARG 226 HD2 ARG 226 -9.238 33.319 11.555 881 HD3 ARG 226 HD1 ARG 226 -8.636 31.668 11.693 882 HE ARG 226 HE ARG 226 -11.442 31.577 11.652 883 HH11 ARG 226 HH11 ARG 226 -8.845 32.441 9.440 884 HH12 ARG 226 HH12 ARG 226 -9.747 31.995 8.029 885 HH21 ARG 226 HH21 ARG 226 -12.608 31.003 9.784 886 HH22 ARG 226 HH22 ARG 226 -11.864 31.174 8.226 887 H GLU 227 HN GLU 227 -12.983 29.528 13.005 888 HA GLU 227 HA GLU 227 -11.932 28.796 10.424 889 HB2 GLU 227 HB2 GLU 227 -12.972 26.505 10.382 890 HB3 GLU 227 HB1 GLU 227 -11.593 26.627 11.458 891 HG2 GLU 227 HG2 GLU 227 -14.505 26.593 12.325 892 HG3 GLU 227 HG1 GLU 227 -13.420 25.210 12.363 Start of MODEL 15 1 H1 GLY -2 HT1 GLY -2 -0.478 4.653 -4.131 2 H2 GLY -2 HT2 GLY -2 0.214 5.844 -3.161 3 H3 GLY -2 HT3 GLY -2 1.049 4.407 -3.454 4 HA2 GLY -2 HA1 GLY -2 1.169 4.957 -5.817 5 HA3 GLY -2 HA2 GLY -2 0.374 6.483 -5.451 6 H SER -1 HN SER -1 2.030 7.887 -5.966 7 HA SER -1 HA SER -1 4.774 7.414 -5.247 8 HB2 SER -1 HB2 SER -1 3.452 9.916 -6.387 9 HB3 SER -1 HB1 SER -1 5.188 9.596 -6.330 10 HG SER -1 HG SER -1 4.705 7.690 -7.627 11 H HIS 0 HN HIS 0 5.386 7.589 -3.189 12 HA HIS 0 HA HIS 0 4.159 9.399 -1.282 13 HB2 HIS 0 HB2 HIS 0 6.380 7.334 -1.052 14 HB3 HIS 0 HB1 HIS 0 5.935 8.390 0.288 15 HD1 HIS 0 HD1 HIS 0 4.136 5.978 -2.065 16 HD2 HIS 0 HD2 HIS 0 4.036 7.261 1.884 17 HE1 HIS 0 HE1 HIS 0 2.294 4.671 -0.978 18 HE2 HIS 0 HE2 HIS 0 2.290 5.421 1.425 19 H MET 1 HN MET 1 4.616 11.438 -1.650 20 HA MET 1 HA MET 1 7.136 12.462 -2.621 21 HB2 MET 1 HB2 MET 1 4.675 13.943 -1.581 22 HB3 MET 1 HB1 MET 1 6.003 14.657 -2.495 23 HG2 MET 1 HG2 MET 1 4.045 12.589 -3.513 24 HG3 MET 1 HG1 MET 1 4.055 14.309 -3.917 25 HE1 MET 1 HE1 MET 1 4.098 13.857 -6.540 26 HE2 MET 1 HE2 MET 1 3.937 12.139 -6.167 27 HE3 MET 1 HE3 MET 1 5.177 12.686 -7.296 28 H GLN 2 HN GLN 2 8.150 14.347 -1.406 29 HA GLN 2 HA GLN 2 8.356 13.778 1.463 30 HB2 GLN 2 HB2 GLN 2 10.158 15.418 -0.344 31 HB3 GLN 2 HB1 GLN 2 10.363 15.299 1.398 32 HG2 GLN 2 HG2 GLN 2 11.856 13.701 0.754 33 HG3 GLN 2 HG1 GLN 2 10.429 12.685 0.882 34 HE21 GLN 2 HE21 GLN 2 12.880 12.390 -0.686 35 HE22 GLN 2 HE22 GLN 2 12.384 12.198 -2.320 36 H ILE 3 HN ILE 3 8.163 15.378 3.019 37 HA ILE 3 HA ILE 3 7.415 18.116 2.259 38 HB ILE 3 HB ILE 3 5.641 18.197 4.113 39 HG12 ILE 3 HG12 ILE 3 6.250 15.922 5.143 40 HG13 ILE 3 HG11 ILE 3 4.535 16.236 4.942 41 HG21 ILE 3 HG21 ILE 3 5.004 18.339 1.774 42 HG22 ILE 3 HG22 ILE 3 3.792 17.432 2.682 43 HG23 ILE 3 HG23 ILE 3 4.940 16.577 1.651 44 HD11 ILE 3 HD11 ILE 3 6.220 14.476 3.146 45 HD12 ILE 3 HD12 ILE 3 4.490 14.779 2.964 46 HD13 ILE 3 HD13 ILE 3 5.091 13.931 4.387 47 H PHE 4 HN PHE 4 7.813 19.640 3.944 48 HA PHE 4 HA PHE 4 9.930 18.746 5.829 49 HB2 PHE 4 HB2 PHE 4 9.423 21.524 4.656 50 HB3 PHE 4 HB1 PHE 4 10.736 21.101 5.750 51 HD1 PHE 4 HD1 PHE 4 12.514 19.468 4.967 52 HD2 PHE 4 HD2 PHE 4 9.644 21.162 2.285 53 HE1 PHE 4 HE1 PHE 4 13.944 18.883 3.062 54 HE2 PHE 4 HE2 PHE 4 11.085 20.571 0.385 55 HZ PHE 4 HZ PHE 4 13.234 19.433 0.768 56 H VAL 5 HN VAL 5 8.873 18.306 7.699 57 HA VAL 5 HA VAL 5 7.010 20.277 8.868 58 HB VAL 5 HB VAL 5 7.707 17.408 9.714 59 HG11 VAL 5 HG11 VAL 5 5.676 19.336 10.939 60 HG12 VAL 5 HG12 VAL 5 7.167 18.768 11.690 61 HG13 VAL 5 HG13 VAL 5 5.860 17.632 11.370 62 HG21 VAL 5 HG21 VAL 5 6.291 17.548 7.672 63 HG22 VAL 5 HG22 VAL 5 5.120 18.541 8.532 64 HG23 VAL 5 HG23 VAL 5 5.385 16.868 9.024 65 H LYS 6 HN LYS 6 8.189 21.852 9.828 66 HA LYS 6 HA LYS 6 10.820 21.261 11.027 67 HB2 LYS 6 HB2 LYS 6 10.485 22.996 9.167 68 HB3 LYS 6 HB1 LYS 6 9.617 23.973 10.353 69 HG2 LYS 6 HG2 LYS 6 11.600 24.167 11.734 70 HG3 LYS 6 HG1 LYS 6 12.479 23.030 10.703 71 HD2 LYS 6 HD2 LYS 6 12.168 24.686 8.796 72 HD3 LYS 6 HD1 LYS 6 11.555 25.836 9.989 73 HE2 LYS 6 HE2 LYS 6 13.701 25.679 11.215 74 HE3 LYS 6 HE1 LYS 6 14.300 24.549 9.995 75 HZ1 LYS 6 HZ1 LYS 6 15.072 26.797 9.586 76 HZ2 LYS 6 HZ2 LYS 6 13.480 27.357 9.486 77 HZ3 LYS 6 HZ3 LYS 6 14.070 26.273 8.329 78 H THR 7 HN THR 7 10.996 21.221 13.204 79 HA THR 7 HA THR 7 8.931 21.850 15.007 80 HB THR 7 HB THR 7 10.672 21.605 16.822 81 HG1 THR 7 HG1 THR 7 12.784 20.989 16.156 82 HG21 THR 7 HG21 THR 7 10.688 19.402 14.738 83 HG22 THR 7 HG22 THR 7 9.513 19.602 16.038 84 HG23 THR 7 HG23 THR 7 11.193 19.223 16.420 85 H LEU 8 HN LEU 8 8.924 23.411 16.699 86 HA LEU 8 HA LEU 8 9.419 26.096 15.915 87 HB2 LEU 8 HB2 LEU 8 8.878 24.989 18.688 88 HB3 LEU 8 HB1 LEU 8 8.717 26.671 18.206 89 HG LEU 8 HG LEU 8 6.997 24.374 17.214 90 HD11 LEU 8 HD11 LEU 8 5.215 25.410 18.555 91 HD12 LEU 8 HD12 LEU 8 6.357 26.609 19.161 92 HD13 LEU 8 HD13 LEU 8 6.573 24.901 19.558 93 HD21 LEU 8 HD21 LEU 8 6.756 27.349 16.622 94 HD22 LEU 8 HD22 LEU 8 5.590 26.109 16.154 95 HD23 LEU 8 HD23 LEU 8 7.214 26.090 15.469 96 H THR 9 HN THR 9 11.451 23.746 17.418 97 HA THR 9 HA THR 9 13.295 25.573 18.695 98 HB THR 9 HB THR 9 14.690 23.531 19.053 99 HG1 THR 9 HG1 THR 9 13.822 21.512 18.338 100 HG21 THR 9 HG21 THR 9 13.127 22.292 20.516 101 HG22 THR 9 HG22 THR 9 11.757 23.084 19.738 102 HG23 THR 9 HG23 THR 9 12.897 24.036 20.689 103 H GLY 10 HN GLY 10 12.756 24.506 15.478 104 HA2 GLY 10 HA2 GLY 10 13.688 25.816 13.706 105 HA3 GLY 10 HA1 GLY 10 15.196 25.942 14.597 106 H LYS 11 HN LYS 11 13.954 22.796 14.714 107 HA LYS 11 HA LYS 11 15.966 21.842 12.788 108 HB2 LYS 11 HB2 LYS 11 16.345 20.347 14.462 109 HB3 LYS 11 HB1 LYS 11 14.937 20.900 15.352 110 HG2 LYS 11 HG2 LYS 11 13.527 19.326 14.001 111 HG3 LYS 11 HG1 LYS 11 15.007 18.722 13.241 112 HD2 LYS 11 HD2 LYS 11 15.836 17.985 15.445 113 HD3 LYS 11 HD1 LYS 11 14.399 18.653 16.216 114 HE2 LYS 11 HE2 LYS 11 14.188 16.236 15.952 115 HE3 LYS 11 HE1 LYS 11 12.981 17.079 14.976 116 HZ1 LYS 11 HZ1 LYS 11 13.989 15.293 13.739 117 HZ2 LYS 11 HZ2 LYS 11 15.532 15.937 13.991 118 HZ3 LYS 11 HZ3 LYS 11 14.412 16.776 13.047 119 H THR 12 HN THR 12 15.403 20.555 10.999 120 HA THR 12 HA THR 12 12.542 20.606 10.207 121 HB THR 12 HB THR 12 14.985 20.209 8.411 122 HG1 THR 12 HG1 THR 12 15.103 22.296 9.004 123 HG21 THR 12 HG21 THR 12 13.407 20.701 6.560 124 HG22 THR 12 HG22 THR 12 12.072 20.810 7.710 125 HG23 THR 12 HG23 THR 12 12.893 19.268 7.449 126 H ILE 13 HN ILE 13 11.472 18.778 9.670 127 HA ILE 13 HA ILE 13 12.820 16.137 9.761 128 HB ILE 13 HB ILE 13 9.965 16.753 10.657 129 HG12 ILE 13 HG12 ILE 13 11.042 15.746 12.912 130 HG13 ILE 13 HG11 ILE 13 12.538 16.311 12.201 131 HG21 ILE 13 HG21 ILE 13 10.125 14.544 9.616 132 HG22 ILE 13 HG22 ILE 13 9.872 14.381 11.352 133 HG23 ILE 13 HG23 ILE 13 11.477 14.115 10.665 134 HD11 ILE 13 HD11 ILE 13 10.142 18.028 12.821 135 HD12 ILE 13 HD12 ILE 13 11.674 18.584 12.141 136 HD13 ILE 13 HD13 ILE 13 11.625 17.913 13.769 137 H THR 14 HN THR 14 12.944 15.402 7.693 138 HA THR 14 HA THR 14 10.896 16.091 5.704 139 HB THR 14 HB THR 14 13.497 14.526 5.391 140 HG1 THR 14 HG1 THR 14 13.857 16.612 4.082 141 HG21 THR 14 HG21 THR 14 11.585 15.528 3.231 142 HG22 THR 14 HG22 THR 14 11.855 13.837 3.658 143 HG23 THR 14 HG23 THR 14 13.159 14.781 2.940 144 H LEU 15 HN LEU 15 9.191 14.802 5.424 145 HA LEU 15 HA LEU 15 9.260 11.942 6.224 146 HB2 LEU 15 HB2 LEU 15 6.781 13.644 5.693 147 HB3 LEU 15 HB1 LEU 15 6.824 12.017 6.350 148 HG LEU 15 HG LEU 15 6.358 13.402 8.203 149 HD11 LEU 15 HD11 LEU 15 8.223 13.160 9.700 150 HD12 LEU 15 HD12 LEU 15 9.348 12.978 8.352 151 HD13 LEU 15 HD13 LEU 15 8.123 11.745 8.658 152 HD21 LEU 15 HD21 LEU 15 6.883 15.565 7.180 153 HD22 LEU 15 HD22 LEU 15 8.610 15.255 7.379 154 HD23 LEU 15 HD23 LEU 15 7.573 15.431 8.797 155 H GLU 16 HN GLU 16 7.895 10.504 4.833 156 HA GLU 16 HA GLU 16 7.971 11.243 1.972 157 HB2 GLU 16 HB2 GLU 16 9.046 8.661 3.196 158 HB3 GLU 16 HB1 GLU 16 8.865 8.952 1.466 159 HG2 GLU 16 HG2 GLU 16 10.534 10.683 1.488 160 HG3 GLU 16 HG1 GLU 16 10.590 10.696 3.249 161 H VAL 17 HN VAL 17 5.733 11.601 2.198 162 HA VAL 17 HA VAL 17 4.076 9.182 1.937 163 HB VAL 17 HB VAL 17 2.247 9.980 3.314 164 HG11 VAL 17 HG11 VAL 17 3.150 9.918 5.597 165 HG12 VAL 17 HG12 VAL 17 4.778 10.185 4.970 166 HG13 VAL 17 HG13 VAL 17 3.911 8.704 4.565 167 HG21 VAL 17 HG21 VAL 17 2.328 12.076 4.624 168 HG22 VAL 17 HG22 VAL 17 2.433 12.371 2.888 169 HG23 VAL 17 HG23 VAL 17 3.884 12.471 3.889 170 H GLU 18 HN GLU 18 1.819 9.918 1.178 171 HA GLU 18 HA GLU 18 2.224 11.642 -1.144 172 HB2 GLU 18 HB2 GLU 18 -0.362 10.201 -0.403 173 HB3 GLU 18 HB1 GLU 18 0.229 10.646 -2.004 174 HG2 GLU 18 HG2 GLU 18 2.087 8.981 -1.700 175 HG3 GLU 18 HG1 GLU 18 1.319 8.484 -0.197 176 HA PRO 19 HA PRO 19 -0.161 15.157 0.615 177 HB2 PRO 19 HB2 PRO 19 -1.336 16.044 -1.772 178 HB3 PRO 19 HB1 PRO 19 0.262 16.527 -1.193 179 HG2 PRO 19 HG2 PRO 19 -0.468 14.413 -3.203 180 HG3 PRO 19 HG1 PRO 19 0.875 15.576 -3.236 181 HD2 PRO 19 HD2 PRO 19 1.264 12.988 -2.561 182 HD3 PRO 19 HD1 PRO 19 2.187 14.291 -1.781 183 H SER 20 HN SER 20 -1.440 12.563 -1.334 184 HA SER 20 HA SER 20 -4.230 12.997 -0.510 185 HB2 SER 20 HB2 SER 20 -3.686 12.486 -2.906 186 HB3 SER 20 HB1 SER 20 -3.023 10.929 -2.412 187 HG SER 20 HG SER 20 -5.499 11.457 -3.054 188 H ASP 21 HN ASP 21 -1.684 11.719 1.067 189 HA ASP 21 HA ASP 21 -2.507 9.007 1.601 190 HB2 ASP 21 HB2 ASP 21 -0.099 9.942 1.613 191 HB3 ASP 21 HB1 ASP 21 -0.453 10.596 3.198 192 H THR 22 HN THR 22 -1.666 10.889 4.454 193 HA THR 22 HA THR 22 -4.075 11.951 5.283 194 HB THR 22 HB THR 22 -4.961 9.631 5.492 195 HG1 THR 22 HG1 THR 22 -5.731 11.173 6.971 196 HG21 THR 22 HG21 THR 22 -2.861 8.412 5.997 197 HG22 THR 22 HG22 THR 22 -4.115 8.067 7.190 198 HG23 THR 22 HG23 THR 22 -2.805 9.178 7.588 199 H ILE 23 HN ILE 23 -3.863 13.011 7.281 200 HA ILE 23 HA ILE 23 -1.280 13.874 7.978 201 HB ILE 23 HB ILE 23 -3.918 14.223 9.473 202 HG12 ILE 23 HG12 ILE 23 -3.962 15.192 7.181 203 HG13 ILE 23 HG11 ILE 23 -4.054 16.450 8.407 204 HG21 ILE 23 HG21 ILE 23 -2.072 14.638 11.023 205 HG22 ILE 23 HG22 ILE 23 -2.885 16.149 10.634 206 HG23 ILE 23 HG23 ILE 23 -1.330 15.769 9.890 207 HD11 ILE 23 HD11 ILE 23 -1.593 15.699 6.828 208 HD12 ILE 23 HD12 ILE 23 -1.694 16.983 8.037 209 HD13 ILE 23 HD13 ILE 23 -2.629 17.098 6.546 210 H GLU 24 HN GLU 24 -3.470 11.536 9.470 211 HA GLU 24 HA GLU 24 -2.226 11.078 11.938 212 HB2 GLU 24 HB2 GLU 24 -4.466 10.207 11.179 213 HB3 GLU 24 HB1 GLU 24 -3.631 9.021 10.184 214 HG2 GLU 24 HG2 GLU 24 -2.636 8.020 12.218 215 HG3 GLU 24 HG1 GLU 24 -3.484 9.207 13.214 216 H ASN 25 HN ASN 25 -1.527 9.825 8.738 217 HA ASN 25 HA ASN 25 0.465 7.910 9.547 218 HB2 ASN 25 HB2 ASN 25 -0.942 7.805 7.437 219 HB3 ASN 25 HB1 ASN 25 0.023 9.107 6.781 220 HD21 ASN 25 HD21 ASN 25 0.146 5.799 7.950 221 HD22 ASN 25 HD22 ASN 25 1.567 5.340 7.079 222 H VAL 26 HN VAL 26 0.437 11.180 8.203 223 HA VAL 26 HA VAL 26 3.161 11.597 7.716 224 HB VAL 26 HB VAL 26 1.187 13.722 8.698 225 HG11 VAL 26 HG11 VAL 26 2.640 15.370 7.535 226 HG12 VAL 26 HG12 VAL 26 3.782 14.084 7.138 227 HG13 VAL 26 HG13 VAL 26 3.512 14.534 8.823 228 HG21 VAL 26 HG21 VAL 26 0.765 14.224 6.321 229 HG22 VAL 26 HG22 VAL 26 0.316 12.568 6.714 230 HG23 VAL 26 HG23 VAL 26 1.814 12.890 5.847 231 H LYS 27 HN LYS 27 1.291 12.195 10.695 232 HA LYS 27 HA LYS 27 3.478 13.246 12.190 233 HB2 LYS 27 HB2 LYS 27 1.989 13.204 14.116 234 HB3 LYS 27 HB1 LYS 27 1.160 13.848 12.711 235 HG2 LYS 27 HG2 LYS 27 0.026 11.653 12.411 236 HG3 LYS 27 HG1 LYS 27 0.814 11.080 13.885 237 HD2 LYS 27 HD2 LYS 27 -1.446 11.791 14.426 238 HD3 LYS 27 HD1 LYS 27 -0.300 12.909 15.168 239 HE2 LYS 27 HE2 LYS 27 -0.681 14.466 13.214 240 HE3 LYS 27 HE1 LYS 27 -1.948 13.372 12.660 241 HZ1 LYS 27 HZ1 LYS 27 -3.077 13.714 14.810 242 HZ2 LYS 27 HZ2 LYS 27 -2.929 15.140 13.912 243 HZ3 LYS 27 HZ3 LYS 27 -1.904 14.864 15.228 244 H ALA 28 HN ALA 28 2.000 9.997 11.952 245 HA ALA 28 HA ALA 28 3.613 8.594 13.749 246 HB1 ALA 28 HB1 ALA 28 2.613 7.630 11.041 247 HB2 ALA 28 HB2 ALA 28 1.713 7.572 12.558 248 HB3 ALA 28 HB3 ALA 28 3.174 6.602 12.364 249 H LYS 29 HN LYS 29 4.345 9.703 10.445 250 HA LYS 29 HA LYS 29 6.886 8.469 10.236 251 HB2 LYS 29 HB2 LYS 29 5.851 10.909 8.752 252 HB3 LYS 29 HB1 LYS 29 7.280 9.982 8.315 253 HG2 LYS 29 HG2 LYS 29 4.410 9.040 8.250 254 HG3 LYS 29 HG1 LYS 29 5.450 9.391 6.869 255 HD2 LYS 29 HD2 LYS 29 6.912 7.511 7.460 256 HD3 LYS 29 HD1 LYS 29 5.941 7.179 8.899 257 HE2 LYS 29 HE2 LYS 29 4.006 6.653 7.499 258 HE3 LYS 29 HE1 LYS 29 4.930 7.048 6.051 259 HZ1 LYS 29 HZ1 LYS 29 6.468 5.242 6.637 260 HZ2 LYS 29 HZ2 LYS 29 4.895 4.683 6.380 261 HZ3 LYS 29 HZ3 LYS 29 5.487 4.845 7.950 262 H ILE 30 HN ILE 30 5.944 11.722 11.535 263 HA ILE 30 HA ILE 30 8.577 12.671 11.946 264 HB ILE 30 HB ILE 30 6.005 13.270 13.469 265 HG12 ILE 30 HG12 ILE 30 6.617 15.674 12.554 266 HG13 ILE 30 HG11 ILE 30 7.719 14.818 11.484 267 HG21 ILE 30 HG21 ILE 30 7.757 13.445 15.163 268 HG22 ILE 30 HG22 ILE 30 7.177 15.054 14.740 269 HG23 ILE 30 HG23 ILE 30 8.722 14.480 14.105 270 HD11 ILE 30 HD11 ILE 30 4.735 14.471 11.609 271 HD12 ILE 30 HD12 ILE 30 5.831 13.614 10.521 272 HD13 ILE 30 HD13 ILE 30 5.644 15.363 10.391 273 H GLN 31 HN GLN 31 6.536 10.573 13.946 274 HA GLN 31 HA GLN 31 8.377 10.116 16.073 275 HB2 GLN 31 HB2 GLN 31 5.919 9.698 16.221 276 HB3 GLN 31 HB1 GLN 31 6.079 8.359 15.089 277 HG2 GLN 31 HG2 GLN 31 7.459 7.130 16.698 278 HG3 GLN 31 HG1 GLN 31 7.412 8.491 17.814 279 HE21 GLN 31 HE21 GLN 31 4.605 7.318 15.980 280 HE22 GLN 31 HE22 GLN 31 3.737 6.756 17.362 281 H ASP 32 HN ASP 32 8.057 8.753 12.882 282 HA ASP 32 HA ASP 32 9.829 6.502 13.249 283 HB2 ASP 32 HB2 ASP 32 8.126 6.390 11.527 284 HB3 ASP 32 HB1 ASP 32 8.674 7.886 10.793 285 H LYS 33 HN LYS 33 10.235 9.917 12.480 286 HA LYS 33 HA LYS 33 12.942 9.522 11.368 287 HB2 LYS 33 HB2 LYS 33 11.225 12.032 11.529 288 HB3 LYS 33 HB1 LYS 33 12.816 11.956 10.782 289 HG2 LYS 33 HG2 LYS 33 10.417 10.357 9.846 290 HG3 LYS 33 HG1 LYS 33 10.888 11.920 9.182 291 HD2 LYS 33 HD2 LYS 33 13.010 10.985 8.397 292 HD3 LYS 33 HD1 LYS 33 12.622 9.419 9.127 293 HE2 LYS 33 HE2 LYS 33 10.686 9.184 7.605 294 HE3 LYS 33 HE1 LYS 33 11.041 10.760 6.898 295 HZ1 LYS 33 HZ1 LYS 33 13.192 9.882 6.173 296 HZ2 LYS 33 HZ2 LYS 33 11.905 9.016 5.497 297 HZ3 LYS 33 HZ3 LYS 33 12.784 8.358 6.786 298 H GLU 34 HN GLU 34 11.520 11.958 13.670 299 HA GLU 34 HA GLU 34 14.116 12.248 14.945 300 HB2 GLU 34 HB2 GLU 34 13.212 14.093 16.206 301 HB3 GLU 34 HB1 GLU 34 12.824 14.293 14.505 302 HG2 GLU 34 HG2 GLU 34 10.500 13.683 14.925 303 HG3 GLU 34 HG1 GLU 34 10.866 13.310 16.610 304 H GLY 35 HN GLY 35 11.054 10.715 15.641 305 HA2 GLY 35 HA2 GLY 35 10.915 8.753 16.944 306 HA3 GLY 35 HA1 GLY 35 12.361 9.230 17.821 307 H ILE 36 HN ILE 36 9.792 11.523 17.298 308 HA ILE 36 HA ILE 36 9.164 11.489 20.190 309 HB ILE 36 HB ILE 36 9.174 13.746 18.132 310 HG12 ILE 36 HG12 ILE 36 10.449 14.970 19.921 311 HG13 ILE 36 HG11 ILE 36 10.297 13.579 20.980 312 HG21 ILE 36 HG21 ILE 36 8.010 15.249 19.725 313 HG22 ILE 36 HG22 ILE 36 7.728 13.883 20.812 314 HG23 ILE 36 HG23 ILE 36 6.964 13.916 19.225 315 HD11 ILE 36 HD11 ILE 36 11.833 13.653 18.395 316 HD12 ILE 36 HD12 ILE 36 11.726 12.283 19.502 317 HD13 ILE 36 HD13 ILE 36 12.511 13.774 20.016 318 HA PRO 37 HA PRO 37 5.274 9.630 18.996 319 HB2 PRO 37 HB2 PRO 37 3.877 9.875 21.335 320 HB3 PRO 37 HB1 PRO 37 5.242 8.764 21.166 321 HG2 PRO 37 HG2 PRO 37 5.210 11.551 22.331 322 HG3 PRO 37 HG1 PRO 37 5.924 10.068 23.009 323 HD2 PRO 37 HD2 PRO 37 7.434 11.886 21.695 324 HD3 PRO 37 HD1 PRO 37 7.774 10.150 21.572 325 HA PRO 38 HA PRO 38 2.569 12.797 17.410 326 HB2 PRO 38 HB2 PRO 38 0.068 11.586 17.494 327 HB3 PRO 38 HB1 PRO 38 1.320 11.192 16.307 328 HG2 PRO 38 HG2 PRO 38 0.675 9.793 18.909 329 HG3 PRO 38 HG1 PRO 38 0.942 9.085 17.297 330 HD2 PRO 38 HD2 PRO 38 2.905 9.070 19.117 331 HD3 PRO 38 HD1 PRO 38 3.276 9.403 17.410 332 H ASP 39 HN ASP 39 2.054 11.636 20.597 333 HA ASP 39 HA ASP 39 0.000 13.505 21.405 334 HB2 ASP 39 HB2 ASP 39 0.232 11.262 22.415 335 HB3 ASP 39 HB1 ASP 39 1.842 11.665 22.995 336 H GLN 40 HN GLN 40 3.467 13.464 21.223 337 HA GLN 40 HA GLN 40 3.792 15.906 22.839 338 HB2 GLN 40 HB2 GLN 40 5.640 13.681 22.028 339 HB3 GLN 40 HB1 GLN 40 6.363 15.268 22.214 340 HG2 GLN 40 HG2 GLN 40 6.559 13.890 24.246 341 HG3 GLN 40 HG1 GLN 40 5.673 15.386 24.520 342 HE21 GLN 40 HE21 GLN 40 5.436 11.931 24.377 343 HE22 GLN 40 HE22 GLN 40 3.883 11.807 25.112 344 H GLN 41 HN GLN 41 4.077 14.753 19.527 345 HA GLN 41 HA GLN 41 5.016 17.427 18.675 346 HB2 GLN 41 HB2 GLN 41 5.585 16.306 16.497 347 HB3 GLN 41 HB1 GLN 41 6.508 15.779 17.886 348 HG2 GLN 41 HG2 GLN 41 6.138 13.726 16.971 349 HG3 GLN 41 HG1 GLN 41 4.664 13.844 17.906 350 HE21 GLN 41 HE21 GLN 41 3.999 12.223 16.383 351 HE22 GLN 41 HE22 GLN 41 3.330 12.708 14.881 352 H ARG 42 HN ARG 42 3.708 18.769 17.662 353 HA ARG 42 HA ARG 42 0.927 17.930 17.087 354 HB2 ARG 42 HB2 ARG 42 1.428 19.388 19.145 355 HB3 ARG 42 HB1 ARG 42 1.883 20.669 18.024 356 HG2 ARG 42 HG2 ARG 42 -0.390 20.744 17.134 357 HG3 ARG 42 HG1 ARG 42 -0.863 19.387 18.166 358 HD2 ARG 42 HD2 ARG 42 -0.278 20.758 20.169 359 HD3 ARG 42 HD1 ARG 42 0.062 22.125 19.100 360 HE ARG 42 HE ARG 42 -2.496 21.333 18.475 361 HH11 ARG 42 HH11 ARG 42 -0.916 22.510 21.406 362 HH12 ARG 42 HH12 ARG 42 -2.380 23.192 22.049 363 HH21 ARG 42 HH21 ARG 42 -4.369 22.249 19.329 364 HH22 ARG 42 HH22 ARG 42 -4.327 23.036 20.874 365 H LEU 43 HN LEU 43 0.138 18.433 15.099 366 HA LEU 43 HA LEU 43 2.018 19.540 13.130 367 HB2 LEU 43 HB2 LEU 43 -0.374 17.690 13.012 368 HB3 LEU 43 HB1 LEU 43 0.087 18.552 11.560 369 HG LEU 43 HG LEU 43 1.019 16.285 11.562 370 HD11 LEU 43 HD11 LEU 43 3.336 16.859 11.020 371 HD12 LEU 43 HD12 LEU 43 3.167 18.405 11.860 372 HD13 LEU 43 HD13 LEU 43 2.220 18.083 10.407 373 HD21 LEU 43 HD21 LEU 43 1.211 15.938 13.988 374 HD22 LEU 43 HD22 LEU 43 2.536 17.102 14.068 375 HD23 LEU 43 HD23 LEU 43 2.737 15.593 13.177 376 H ILE 44 HN ILE 44 1.799 21.576 12.438 377 HA ILE 44 HA ILE 44 -0.857 22.757 12.010 378 HB ILE 44 HB ILE 44 1.346 24.092 13.665 379 HG12 ILE 44 HG12 ILE 44 -1.570 23.578 14.433 380 HG13 ILE 44 HG11 ILE 44 -0.273 22.460 14.811 381 HG21 ILE 44 HG21 ILE 44 -1.227 25.369 12.628 382 HG22 ILE 44 HG22 ILE 44 0.418 25.793 12.148 383 HG23 ILE 44 HG23 ILE 44 -0.124 26.110 13.794 384 HD11 ILE 44 HD11 ILE 44 0.769 24.064 16.232 385 HD12 ILE 44 HD12 ILE 44 -0.924 23.859 16.685 386 HD13 ILE 44 HD13 ILE 44 -0.423 25.290 15.785 387 H PHE 45 HN PHE 45 -0.940 23.631 10.027 388 HA PHE 45 HA PHE 45 1.517 24.589 8.652 389 HB2 PHE 45 HB2 PHE 45 0.732 22.531 7.579 390 HB3 PHE 45 HB1 PHE 45 -0.916 23.135 7.516 391 HD1 PHE 45 HD1 PHE 45 2.512 23.696 6.121 392 HD2 PHE 45 HD2 PHE 45 -1.679 24.381 5.599 393 HE1 PHE 45 HE1 PHE 45 2.932 24.516 3.852 394 HE2 PHE 45 HE2 PHE 45 -1.243 25.198 3.324 395 HZ PHE 45 HZ PHE 45 1.055 25.270 2.444 396 H ALA 46 HN ALA 46 1.414 26.764 8.339 397 HA ALA 46 HA ALA 46 0.699 28.863 7.879 398 HB1 ALA 46 HB1 ALA 46 -1.615 27.475 6.481 399 HB2 ALA 46 HB2 ALA 46 -0.043 27.830 5.767 400 HB3 ALA 46 HB3 ALA 46 -1.114 29.152 6.231 401 H GLY 47 HN GLY 47 -0.330 27.454 10.366 402 HA2 GLY 47 HA2 GLY 47 -1.249 28.596 12.220 403 HA3 GLY 47 HA1 GLY 47 -2.289 29.518 11.151 404 H LYS 48 HN LYS 48 -2.765 26.597 9.893 405 HA LYS 48 HA LYS 48 -5.122 26.028 11.567 406 HB2 LYS 48 HB2 LYS 48 -6.037 24.853 9.695 407 HB3 LYS 48 HB1 LYS 48 -5.276 26.284 9.020 408 HG2 LYS 48 HG2 LYS 48 -3.233 24.638 8.617 409 HG3 LYS 48 HG1 LYS 48 -4.459 23.390 8.774 410 HD2 LYS 48 HD2 LYS 48 -4.192 23.848 6.433 411 HD3 LYS 48 HD1 LYS 48 -5.748 24.516 6.921 412 HE2 LYS 48 HE2 LYS 48 -4.803 26.768 6.958 413 HE3 LYS 48 HE1 LYS 48 -3.194 26.127 6.609 414 HZ1 LYS 48 HZ1 LYS 48 -3.991 25.350 4.479 415 HZ2 LYS 48 HZ2 LYS 48 -4.283 27.009 4.632 416 HZ3 LYS 48 HZ3 LYS 48 -5.548 25.909 4.820 417 H GLN 49 HN GLN 49 -5.236 24.248 12.892 418 HA GLN 49 HA GLN 49 -2.963 22.494 13.221 419 HB2 GLN 49 HB2 GLN 49 -4.347 23.148 15.178 420 HB3 GLN 49 HB1 GLN 49 -5.747 22.346 14.471 421 HG2 GLN 49 HG2 GLN 49 -4.545 20.162 14.623 422 HG3 GLN 49 HG1 GLN 49 -3.191 20.982 15.390 423 HE21 GLN 49 HE21 GLN 49 -6.541 20.001 15.803 424 HE22 GLN 49 HE22 GLN 49 -6.568 20.142 17.524 425 H LEU 50 HN LEU 50 -2.743 20.378 12.521 426 HA LEU 50 HA LEU 50 -4.495 19.616 10.328 427 HB2 LEU 50 HB2 LEU 50 -1.885 18.337 11.146 428 HB3 LEU 50 HB1 LEU 50 -2.728 18.161 9.616 429 HG LEU 50 HG LEU 50 -1.215 20.598 10.628 430 HD11 LEU 50 HD11 LEU 50 -0.784 18.826 8.222 431 HD12 LEU 50 HD12 LEU 50 0.177 18.853 9.703 432 HD13 LEU 50 HD13 LEU 50 0.164 20.257 8.639 433 HD21 LEU 50 HD21 LEU 50 -1.825 21.778 8.562 434 HD22 LEU 50 HD22 LEU 50 -3.252 21.431 9.533 435 HD23 LEU 50 HD23 LEU 50 -2.900 20.454 8.105 436 H GLU 51 HN GLU 51 -6.018 18.178 10.564 437 HA GLU 51 HA GLU 51 -6.397 16.600 12.959 438 HB2 GLU 51 HB2 GLU 51 -8.221 17.947 12.074 439 HB3 GLU 51 HB1 GLU 51 -8.099 17.175 10.499 440 HG2 GLU 51 HG2 GLU 51 -8.980 15.099 11.375 441 HG3 GLU 51 HG1 GLU 51 -8.921 15.712 13.027 442 H ASP 52 HN ASP 52 -6.518 14.378 13.032 443 HA ASP 52 HA ASP 52 -4.627 12.939 11.573 444 HB2 ASP 52 HB2 ASP 52 -6.889 12.024 13.392 445 HB3 ASP 52 HB1 ASP 52 -5.689 10.909 12.739 446 H GLY 53 HN GLY 53 -8.169 12.914 11.294 447 HA2 GLY 53 HA2 GLY 53 -8.400 10.718 9.507 448 HA3 GLY 53 HA1 GLY 53 -9.640 11.910 9.852 449 H ARG 54 HN ARG 54 -7.795 14.108 8.990 450 HA ARG 54 HA ARG 54 -8.626 14.176 6.212 451 HB2 ARG 54 HB2 ARG 54 -7.155 16.205 7.931 452 HB3 ARG 54 HB1 ARG 54 -7.708 16.511 6.283 453 HG2 ARG 54 HG2 ARG 54 -10.060 16.061 7.072 454 HG3 ARG 54 HG1 ARG 54 -9.438 15.952 8.718 455 HD2 ARG 54 HD2 ARG 54 -8.652 18.222 8.624 456 HD3 ARG 54 HD1 ARG 54 -9.088 18.376 6.925 457 HE ARG 54 HE ARG 54 -11.230 17.803 8.851 458 HH11 ARG 54 HH11 ARG 54 -9.664 20.115 6.706 459 HH12 ARG 54 HH12 ARG 54 -10.907 21.312 6.889 460 HH21 ARG 54 HH21 ARG 54 -12.880 19.374 9.034 461 HH22 ARG 54 HH22 ARG 54 -12.731 20.890 8.205 462 H THR 55 HN THR 55 -6.940 15.366 4.705 463 HA THR 55 HA THR 55 -4.403 13.816 4.710 464 HB THR 55 HB THR 55 -4.429 14.116 2.202 465 HG1 THR 55 HG1 THR 55 -6.662 14.649 1.395 466 HG21 THR 55 HG21 THR 55 -6.143 12.433 1.700 467 HG22 THR 55 HG22 THR 55 -6.890 12.699 3.277 468 HG23 THR 55 HG23 THR 55 -5.269 12.009 3.177 469 H LEU 56 HN LEU 56 -2.627 14.918 3.523 470 HA LEU 56 HA LEU 56 -1.986 17.488 4.438 471 HB2 LEU 56 HB2 LEU 56 -0.942 15.936 2.034 472 HB3 LEU 56 HB1 LEU 56 -0.242 17.457 2.553 473 HG LEU 56 HG LEU 56 -0.303 14.929 4.254 474 HD11 LEU 56 HD11 LEU 56 1.144 14.615 2.294 475 HD12 LEU 56 HD12 LEU 56 2.103 14.734 3.765 476 HD13 LEU 56 HD13 LEU 56 2.007 16.111 2.663 477 HD21 LEU 56 HD21 LEU 56 1.171 17.561 4.698 478 HD22 LEU 56 HD22 LEU 56 1.292 16.120 5.712 479 HD23 LEU 56 HD23 LEU 56 -0.232 16.994 5.605 480 H SER 57 HN SER 57 -3.186 16.431 1.266 481 HA SER 57 HA SER 57 -3.241 18.933 -0.014 482 HB2 SER 57 HB2 SER 57 -3.165 16.759 -1.223 483 HB3 SER 57 HB1 SER 57 -4.814 16.416 -0.702 484 HG SER 57 HG SER 57 -3.870 18.248 -2.600 485 H ASP 58 HN ASP 58 -5.491 17.400 2.198 486 HA ASP 58 HA ASP 58 -7.850 18.854 1.508 487 HB2 ASP 58 HB2 ASP 58 -7.852 16.813 2.963 488 HB3 ASP 58 HB1 ASP 58 -7.040 17.724 4.230 489 H TYR 59 HN TYR 59 -5.164 19.412 3.733 490 HA TYR 59 HA TYR 59 -6.171 22.015 4.600 491 HB2 TYR 59 HB2 TYR 59 -3.876 20.223 5.409 492 HB3 TYR 59 HB1 TYR 59 -3.907 21.903 5.928 493 HD1 TYR 59 HD2 TYR 59 -6.404 22.620 6.821 494 HD2 TYR 59 HD1 TYR 59 -4.701 18.709 7.043 495 HE1 TYR 59 HE2 TYR 59 -7.817 22.129 8.748 496 HE2 TYR 59 HE1 TYR 59 -6.131 18.219 8.968 497 HH TYR 59 HH TYR 59 -7.302 19.815 10.850 498 H ASN 60 HN ASN 60 -4.962 21.246 1.799 499 HA ASN 60 HA ASN 60 -4.123 22.415 0.075 500 HB2 ASN 60 HB2 ASN 60 -3.829 24.705 2.064 501 HB3 ASN 60 HB1 ASN 60 -3.480 24.862 0.345 502 HD21 ASN 60 HD21 ASN 60 -6.208 23.116 1.858 503 HD22 ASN 60 HD22 ASN 60 -7.433 24.092 1.149 504 H ILE 61 HN ILE 61 -2.446 20.996 2.243 505 HA ILE 61 HA ILE 61 0.259 21.988 1.779 506 HB ILE 61 HB ILE 61 -0.517 19.305 3.012 507 HG12 ILE 61 HG12 ILE 61 -0.123 21.807 4.688 508 HG13 ILE 61 HG11 ILE 61 -1.707 21.375 4.063 509 HG21 ILE 61 HG21 ILE 61 1.618 19.524 4.256 510 HG22 ILE 61 HG22 ILE 61 1.937 21.065 3.453 511 HG23 ILE 61 HG23 ILE 61 1.882 19.573 2.512 512 HD11 ILE 61 HD11 ILE 61 -1.707 19.323 5.292 513 HD12 ILE 61 HD12 ILE 61 -1.325 20.660 6.380 514 HD13 ILE 61 HD13 ILE 61 -0.040 19.589 5.822 515 H GLN 62 HN GLN 62 1.666 21.109 0.309 516 HA GLN 62 HA GLN 62 0.918 18.702 -1.245 517 HB2 GLN 62 HB2 GLN 62 1.711 19.766 -3.307 518 HB3 GLN 62 HB1 GLN 62 0.406 20.721 -2.610 519 HG2 GLN 62 HG2 GLN 62 2.016 22.357 -1.756 520 HG3 GLN 62 HG1 GLN 62 3.360 21.372 -2.333 521 HE21 GLN 62 HE21 GLN 62 3.735 21.224 -4.578 522 HE22 GLN 62 HE22 GLN 62 3.109 22.403 -5.684 523 H LYS 63 HN LYS 63 3.066 18.253 -2.698 524 HA LYS 63 HA LYS 63 5.142 17.412 -1.032 525 HB2 LYS 63 HB2 LYS 63 6.489 17.197 -3.141 526 HB3 LYS 63 HB1 LYS 63 4.899 16.455 -3.238 527 HG2 LYS 63 HG2 LYS 63 4.055 18.242 -4.616 528 HG3 LYS 63 HG1 LYS 63 5.508 19.210 -4.356 529 HD2 LYS 63 HD2 LYS 63 5.421 16.545 -5.831 530 HD3 LYS 63 HD1 LYS 63 5.469 18.132 -6.603 531 HE2 LYS 63 HE2 LYS 63 7.667 18.574 -5.586 532 HE3 LYS 63 HE1 LYS 63 7.628 17.004 -4.782 533 HZ1 LYS 63 HZ1 LYS 63 7.635 15.933 -6.937 534 HZ2 LYS 63 HZ2 LYS 63 8.962 16.975 -6.801 535 HZ3 LYS 63 HZ3 LYS 63 7.619 17.431 -7.717 536 H GLU 64 HN GLU 64 7.056 18.238 -0.418 537 HA GLU 64 HA GLU 64 8.722 19.587 0.146 538 HB2 GLU 64 HB2 GLU 64 8.043 21.136 -2.379 539 HB3 GLU 64 HB1 GLU 64 9.529 21.315 -1.449 540 HG2 GLU 64 HG2 GLU 64 8.629 18.789 -2.876 541 HG3 GLU 64 HG1 GLU 64 9.836 19.926 -3.476 542 H SER 65 HN SER 65 5.626 20.458 0.570 543 HA SER 65 HA SER 65 5.834 23.243 1.192 544 HB2 SER 65 HB2 SER 65 3.831 21.159 2.150 545 HB3 SER 65 HB1 SER 65 3.654 22.903 2.368 546 HG SER 65 HG SER 65 4.169 22.128 -0.222 547 H THR 66 HN THR 66 6.480 24.233 3.017 548 HA THR 66 HA THR 66 7.557 22.634 5.234 549 HB THR 66 HB THR 66 7.963 25.607 4.661 550 HG1 THR 66 HG1 THR 66 8.966 23.570 3.366 551 HG21 THR 66 HG21 THR 66 9.400 23.741 6.605 552 HG22 THR 66 HG22 THR 66 8.302 25.047 7.055 553 HG23 THR 66 HG23 THR 66 9.841 25.419 6.280 554 H LEU 67 HN LEU 67 6.365 22.413 6.954 555 HA LEU 67 HA LEU 67 4.495 24.503 7.862 556 HB2 LEU 67 HB2 LEU 67 3.132 22.672 8.888 557 HB3 LEU 67 HB1 LEU 67 3.094 22.707 7.143 558 HG LEU 67 HG LEU 67 4.956 20.783 8.557 559 HD11 LEU 67 HD11 LEU 67 2.754 20.416 9.581 560 HD12 LEU 67 HD12 LEU 67 3.208 19.064 8.546 561 HD13 LEU 67 HD13 LEU 67 2.023 20.247 7.982 562 HD21 LEU 67 HD21 LEU 67 5.225 21.038 6.113 563 HD22 LEU 67 HD22 LEU 67 3.525 20.627 5.870 564 HD23 LEU 67 HD23 LEU 67 4.643 19.425 6.521 565 H HIS 68 HN HIS 68 3.957 23.948 10.281 566 HA HIS 68 HA HIS 68 6.559 23.943 11.684 567 HB2 HIS 68 HB2 HIS 68 3.914 25.262 12.455 568 HB3 HIS 68 HB1 HIS 68 5.406 25.332 13.398 569 HD1 HIS 68 HD1 HIS 68 6.796 27.357 12.964 570 HD2 HIS 68 HD2 HIS 68 4.363 26.461 9.715 571 HE1 HIS 68 HE1 HIS 68 7.159 29.202 11.313 572 HE2 HIS 68 HE2 HIS 68 5.575 28.718 9.433 573 H LEU 69 HN LEU 69 6.766 22.916 13.655 574 HA LEU 69 HA LEU 69 4.785 20.842 14.381 575 HB2 LEU 69 HB2 LEU 69 6.813 20.018 13.044 576 HB3 LEU 69 HB1 LEU 69 7.818 20.507 14.383 577 HG LEU 69 HG LEU 69 7.350 18.037 14.255 578 HD11 LEU 69 HD11 LEU 69 8.024 19.082 16.389 579 HD12 LEU 69 HD12 LEU 69 7.027 17.653 16.602 580 HD13 LEU 69 HD13 LEU 69 6.322 19.255 16.825 581 HD21 LEU 69 HD21 LEU 69 5.164 17.155 14.906 582 HD22 LEU 69 HD22 LEU 69 5.035 18.133 13.448 583 HD23 LEU 69 HD23 LEU 69 4.506 18.790 14.998 584 H VAL 70 HN VAL 70 4.186 21.115 16.416 585 HA VAL 70 HA VAL 70 5.759 22.810 18.241 586 HB VAL 70 HB VAL 70 2.847 21.919 18.456 587 HG11 VAL 70 HG11 VAL 70 3.826 22.390 20.659 588 HG12 VAL 70 HG12 VAL 70 2.644 23.622 20.236 589 HG13 VAL 70 HG13 VAL 70 4.366 23.980 20.105 590 HG21 VAL 70 HG21 VAL 70 3.165 23.391 16.516 591 HG22 VAL 70 HG22 VAL 70 3.969 24.596 17.526 592 HG23 VAL 70 HG23 VAL 70 2.263 24.231 17.777 593 H LEU 71 HN LEU 71 7.089 21.661 19.476 594 HA LEU 71 HA LEU 71 6.565 18.974 20.395 595 HB2 LEU 71 HB2 LEU 71 8.693 20.981 21.235 596 HB3 LEU 71 HB1 LEU 71 8.637 19.296 21.734 597 HG LEU 71 HG LEU 71 9.024 20.236 18.866 598 HD11 LEU 71 HD11 LEU 71 10.958 20.808 20.248 599 HD12 LEU 71 HD12 LEU 71 11.357 19.504 19.137 600 HD13 LEU 71 HD13 LEU 71 11.060 19.146 20.838 601 HD21 LEU 71 HD21 LEU 71 7.926 18.031 18.981 602 HD22 LEU 71 HD22 LEU 71 9.206 17.429 20.038 603 HD23 LEU 71 HD23 LEU 71 9.573 17.885 18.372 604 H ARG 72 HN ARG 72 6.076 18.340 22.486 605 HA ARG 72 HA ARG 72 4.903 20.394 24.297 606 HB2 ARG 72 HB2 ARG 72 3.859 17.602 23.640 607 HB3 ARG 72 HB1 ARG 72 3.159 18.685 24.845 608 HG2 ARG 72 HG2 ARG 72 2.450 20.252 23.182 609 HG3 ARG 72 HG1 ARG 72 3.420 19.478 21.930 610 HD2 ARG 72 HD2 ARG 72 1.000 18.995 21.691 611 HD3 ARG 72 HD1 ARG 72 1.961 17.535 21.930 612 HE ARG 72 HE ARG 72 1.008 17.223 24.016 613 HH11 ARG 72 HH11 ARG 72 -0.135 20.263 22.684 614 HH12 ARG 72 HH12 ARG 72 -1.446 20.397 23.809 615 HH21 ARG 72 HH21 ARG 72 -0.697 17.424 25.492 616 HH22 ARG 72 HH22 ARG 72 -1.776 18.778 25.385 617 H LEU 73 HN LEU 73 6.774 17.453 24.007 618 HA LEU 73 HA LEU 73 8.012 16.190 25.416 619 HB2 LEU 73 HB2 LEU 73 8.457 18.878 26.783 620 HB3 LEU 73 HB1 LEU 73 9.420 17.449 27.087 621 HG LEU 73 HG LEU 73 10.771 18.758 25.684 622 HD11 LEU 73 HD11 LEU 73 9.435 16.819 23.780 623 HD12 LEU 73 HD12 LEU 73 10.714 16.438 24.935 624 HD13 LEU 73 HD13 LEU 73 11.040 17.538 23.600 625 HD21 LEU 73 HD21 LEU 73 8.409 19.317 23.865 626 HD22 LEU 73 HD22 LEU 73 10.062 19.889 23.626 627 HD23 LEU 73 HD23 LEU 73 9.135 20.439 25.019 628 H ARG 74 HN ARG 74 5.202 16.334 26.147 629 HA ARG 74 HA ARG 74 4.972 16.278 29.024 630 HB2 ARG 74 HB2 ARG 74 3.055 15.088 26.968 631 HB3 ARG 74 HB1 ARG 74 2.687 15.431 28.651 632 HG2 ARG 74 HG2 ARG 74 3.325 17.510 26.538 633 HG3 ARG 74 HG1 ARG 74 1.707 17.073 27.081 634 HD2 ARG 74 HD2 ARG 74 2.291 17.864 29.370 635 HD3 ARG 74 HD1 ARG 74 3.883 18.360 28.779 636 HE ARG 74 HE ARG 74 1.287 19.528 27.952 637 HH11 ARG 74 HH11 ARG 74 4.723 19.929 28.462 638 HH12 ARG 74 HH12 ARG 74 4.768 21.510 27.757 639 HH21 ARG 74 HH21 ARG 74 1.344 21.648 27.093 640 HH22 ARG 74 HH22 ARG 74 2.864 22.486 27.004 641 H GLY 75 HN GLY 75 6.087 14.100 26.658 642 HA2 GLY 75 HA2 GLY 75 6.777 12.125 28.704 643 HA3 GLY 75 HA1 GLY 75 5.925 11.560 27.266 644 H GLY 76 HN GLY 76 8.116 14.249 27.124 645 HA2 GLY 76 HA2 GLY 76 10.067 14.663 26.033 646 HA3 GLY 76 HA1 GLY 76 10.553 13.044 26.503 647 H1 GLY 195 HN GLY 195 14.576 17.543 21.034 648 HA2 GLY 195 HA2 GLY 195 13.444 16.181 23.175 649 HA3 GLY 195 HA1 GLY 195 15.174 15.862 23.258 650 H SER 196 HN SER 196 13.483 17.327 25.112 651 HA SER 196 HA SER 196 15.202 19.581 25.584 652 HB2 SER 196 HB2 SER 196 13.549 20.627 24.042 653 HB3 SER 196 HB1 SER 196 12.234 20.116 25.095 654 HG SER 196 HG SER 196 12.596 21.807 26.264 655 H ARG 197 HN ARG 197 15.122 20.241 27.752 656 HA ARG 197 HA ARG 197 13.639 18.449 29.603 657 HB2 ARG 197 HB2 ARG 197 16.364 19.780 29.979 658 HB3 ARG 197 HB1 ARG 197 15.572 18.749 31.162 659 HG2 ARG 197 HG2 ARG 197 16.467 17.815 28.411 660 HG3 ARG 197 HG1 ARG 197 17.434 17.649 29.876 661 HD2 ARG 197 HD2 ARG 197 16.382 15.539 29.483 662 HD3 ARG 197 HD1 ARG 197 15.550 16.269 30.858 663 HE ARG 197 HE ARG 197 14.387 16.590 28.177 664 HH11 ARG 197 HH11 ARG 197 14.184 15.017 31.315 665 HH12 ARG 197 HH12 ARG 197 12.545 14.509 31.078 666 HH21 ARG 197 HH21 ARG 197 12.242 15.965 27.909 667 HH22 ARG 197 HH22 ARG 197 11.432 15.053 29.144 668 H GLN 198 HN GLN 198 15.077 21.682 29.294 669 HA GLN 198 HA GLN 198 13.656 22.741 31.604 670 HB2 GLN 198 HB2 GLN 198 15.606 24.067 29.671 671 HB3 GLN 198 HB1 GLN 198 14.993 24.799 31.153 672 HG2 GLN 198 HG2 GLN 198 16.106 23.037 32.484 673 HG3 GLN 198 HG1 GLN 198 16.711 22.298 31.000 674 HE21 GLN 198 HE21 GLN 198 18.871 22.555 31.639 675 HE22 GLN 198 HE22 GLN 198 19.656 24.091 31.677 676 H VAL 199 HN VAL 199 12.779 25.066 31.296 677 HA VAL 199 HA VAL 199 10.467 25.117 29.748 678 HB VAL 199 HB VAL 199 10.672 26.524 31.697 679 HG11 VAL 199 HG11 VAL 199 13.073 26.999 31.677 680 HG12 VAL 199 HG12 VAL 199 12.151 28.489 31.873 681 HG13 VAL 199 HG13 VAL 199 12.876 28.100 30.310 682 HG21 VAL 199 HG21 VAL 199 9.133 27.333 29.960 683 HG22 VAL 199 HG22 VAL 199 10.413 28.317 29.247 684 HG23 VAL 199 HG23 VAL 199 9.816 28.678 30.870 685 H THR 200 HN THR 200 10.208 25.269 27.604 686 HA THR 200 HA THR 200 12.479 26.065 25.913 687 HB THR 200 HB THR 200 9.938 24.642 25.008 688 HG1 THR 200 HG1 THR 200 11.814 23.711 26.719 689 HG21 THR 200 HG21 THR 200 11.397 23.717 23.243 690 HG22 THR 200 HG22 THR 200 12.778 24.593 23.903 691 HG23 THR 200 HG23 THR 200 11.423 25.480 23.202 692 H LYS 201 HN LYS 201 12.420 28.183 25.279 693 HA LYS 201 HA LYS 201 9.886 29.574 24.854 694 HB2 LYS 201 HB2 LYS 201 12.770 30.526 24.620 695 HB3 LYS 201 HB1 LYS 201 11.397 31.532 24.190 696 HG2 LYS 201 HG2 LYS 201 12.082 32.197 26.376 697 HG3 LYS 201 HG1 LYS 201 10.568 31.316 26.562 698 HD2 LYS 201 HD2 LYS 201 12.108 30.662 28.338 699 HD3 LYS 201 HD1 LYS 201 11.851 29.292 27.257 700 HE2 LYS 201 HE2 LYS 201 14.017 29.825 26.124 701 HE3 LYS 201 HE1 LYS 201 14.281 31.123 27.293 702 HZ1 LYS 201 HZ1 LYS 201 15.455 29.157 27.974 703 HZ2 LYS 201 HZ2 LYS 201 14.053 28.227 27.888 704 HZ3 LYS 201 HZ3 LYS 201 14.189 29.436 29.055 705 H VAL 202 HN VAL 202 8.939 29.736 22.945 706 HA VAL 202 HA VAL 202 10.228 29.010 20.415 707 HB VAL 202 HB VAL 202 8.313 27.309 20.002 708 HG11 VAL 202 HG11 VAL 202 10.629 26.551 20.323 709 HG12 VAL 202 HG12 VAL 202 9.499 25.425 21.071 710 HG13 VAL 202 HG13 VAL 202 10.411 26.554 22.077 711 HG21 VAL 202 HG21 VAL 202 6.876 27.953 21.915 712 HG22 VAL 202 HG22 VAL 202 8.105 27.384 23.047 713 HG23 VAL 202 HG23 VAL 202 7.289 26.238 21.979 714 H ASP 203 HN ASP 203 8.142 28.904 18.725 715 HA ASP 203 HA ASP 203 6.749 31.507 19.122 716 HB2 ASP 203 HB2 ASP 203 7.646 30.211 16.505 717 HB3 ASP 203 HB1 ASP 203 6.735 31.717 16.629 718 H CYS 204 HN CYS 204 4.623 31.712 18.527 719 HA CYS 204 HA CYS 204 2.976 29.307 18.450 720 HB2 CYS 204 HB2 CYS 204 2.386 31.222 19.945 721 HB3 CYS 204 HB1 CYS 204 2.191 32.249 18.545 722 HA PRO 205 HA PRO 205 3.470 29.818 13.915 723 HB2 PRO 205 HB2 PRO 205 2.341 27.426 13.147 724 HB3 PRO 205 HB1 PRO 205 3.984 27.573 13.783 725 HG2 PRO 205 HG2 PRO 205 1.451 26.830 15.253 726 HG3 PRO 205 HG1 PRO 205 3.035 26.019 15.281 727 HD2 PRO 205 HD2 PRO 205 2.332 27.696 17.248 728 HD3 PRO 205 HD1 PRO 205 3.997 27.665 16.648 729 H VAL 206 HN VAL 206 0.617 30.089 15.616 730 HA VAL 206 HA VAL 206 -1.069 30.395 13.228 731 HB VAL 206 HB VAL 206 -1.944 30.714 16.135 732 HG11 VAL 206 HG11 VAL 206 -3.542 30.256 13.582 733 HG12 VAL 206 HG12 VAL 206 -3.430 31.765 14.490 734 HG13 VAL 206 HG13 VAL 206 -4.214 30.364 15.214 735 HG21 VAL 206 HG21 VAL 206 -2.805 28.385 16.019 736 HG22 VAL 206 HG22 VAL 206 -1.052 28.430 15.832 737 HG23 VAL 206 HG23 VAL 206 -2.079 28.192 14.418 738 H CYS 207 HN CYS 207 -0.018 32.330 16.092 739 HA CYS 207 HA CYS 207 -0.803 34.797 14.637 740 HB2 CYS 207 HB2 CYS 207 -1.419 35.854 16.686 741 HB3 CYS 207 HB1 CYS 207 -2.146 34.253 16.724 742 H GLY 208 HN GLY 208 1.901 33.150 15.290 743 HA2 GLY 208 HA2 GLY 208 4.111 33.648 15.037 744 HA3 GLY 208 HA1 GLY 208 3.570 35.162 14.341 745 H VAL 209 HN VAL 209 3.294 34.007 17.725 746 HA VAL 209 HA VAL 209 4.957 36.316 18.607 747 HB VAL 209 HB VAL 209 3.694 36.328 20.741 748 HG11 VAL 209 HG11 VAL 209 1.566 37.266 19.912 749 HG12 VAL 209 HG12 VAL 209 1.863 36.549 18.325 750 HG13 VAL 209 HG13 VAL 209 2.934 37.810 18.938 751 HG21 VAL 209 HG21 VAL 209 1.923 34.182 19.499 752 HG22 VAL 209 HG22 VAL 209 1.615 35.014 21.025 753 HG23 VAL 209 HG23 VAL 209 3.020 33.961 20.868 754 H ASN 210 HN ASN 210 6.586 35.970 20.100 755 HA ASN 210 HA ASN 210 7.476 33.206 20.467 756 HB2 ASN 210 HB2 ASN 210 9.141 34.855 19.707 757 HB3 ASN 210 HB1 ASN 210 8.876 35.831 21.150 758 HD21 ASN 210 HD21 ASN 210 10.056 32.712 20.002 759 HD22 ASN 210 HD22 ASN 210 11.099 32.403 21.345 760 H ILE 211 HN ILE 211 6.848 32.131 22.165 761 HA ILE 211 HA ILE 211 6.461 33.286 24.842 762 HB ILE 211 HB ILE 211 4.258 31.915 24.961 763 HG12 ILE 211 HG12 ILE 211 4.646 31.954 21.926 764 HG13 ILE 211 HG11 ILE 211 4.576 30.530 22.957 765 HG21 ILE 211 HG21 ILE 211 4.220 34.380 24.896 766 HG22 ILE 211 HG22 ILE 211 2.860 33.716 23.991 767 HG23 ILE 211 HG23 ILE 211 4.264 34.351 23.130 768 HD11 ILE 211 HD11 ILE 211 2.314 32.417 22.362 769 HD12 ILE 211 HD12 ILE 211 2.229 31.009 23.427 770 HD13 ILE 211 HD13 ILE 211 2.554 30.797 21.707 771 HA PRO 212 HA PRO 212 8.295 29.317 26.104 772 HB2 PRO 212 HB2 PRO 212 7.075 28.853 28.527 773 HB3 PRO 212 HB1 PRO 212 8.337 30.071 28.302 774 HG2 PRO 212 HG2 PRO 212 5.337 30.442 28.311 775 HG3 PRO 212 HG1 PRO 212 6.582 31.385 29.166 776 HD2 PRO 212 HD2 PRO 212 5.513 32.274 26.856 777 HD3 PRO 212 HD1 PRO 212 7.237 32.527 27.217 778 H GLU 213 HN GLU 213 7.662 27.022 26.663 779 HA GLU 213 HA GLU 213 6.004 26.200 24.528 780 HB2 GLU 213 HB2 GLU 213 8.120 25.100 25.144 781 HB3 GLU 213 HB1 GLU 213 7.402 24.524 26.638 782 HG2 GLU 213 HG2 GLU 213 6.156 23.741 24.002 783 HG3 GLU 213 HG1 GLU 213 7.632 22.940 24.524 784 H SER 214 HN SER 214 5.507 25.955 28.052 785 HA SER 214 HA SER 214 3.071 24.603 28.117 786 HB2 SER 214 HB2 SER 214 4.357 25.176 30.159 787 HB3 SER 214 HB1 SER 214 4.013 26.888 29.917 788 HG SER 214 HG SER 214 2.484 24.951 31.066 789 H HIS 215 HN HIS 215 3.781 28.033 27.618 790 HA HIS 215 HA HIS 215 1.007 28.826 27.353 791 HB2 HIS 215 HB2 HIS 215 3.632 30.338 27.064 792 HB3 HIS 215 HB1 HIS 215 2.063 31.091 26.771 793 HD1 HIS 215 HD1 HIS 215 4.146 29.640 29.559 794 HD2 HIS 215 HD2 HIS 215 0.609 31.749 29.036 795 HE1 HIS 215 HE1 HIS 215 3.457 30.385 31.845 796 HE2 HIS 215 HE2 HIS 215 1.219 31.476 31.518 797 H ILE 216 HN ILE 216 3.402 27.568 25.189 798 HA ILE 216 HA ILE 216 2.428 28.905 22.848 799 HB ILE 216 HB ILE 216 4.812 27.802 23.119 800 HG12 ILE 216 HG12 ILE 216 3.905 28.989 21.055 801 HG13 ILE 216 HG11 ILE 216 5.147 27.791 20.733 802 HG21 ILE 216 HG21 ILE 216 3.348 25.390 21.975 803 HG22 ILE 216 HG22 ILE 216 4.142 25.478 23.540 804 HG23 ILE 216 HG23 ILE 216 5.102 25.583 22.072 805 HD11 ILE 216 HD11 ILE 216 3.437 27.684 19.062 806 HD12 ILE 216 HD12 ILE 216 2.184 27.481 20.280 807 HD13 ILE 216 HD13 ILE 216 3.378 26.209 20.021 808 H ASN 217 HN ASN 217 1.998 25.641 24.238 809 HA ASN 217 HA ASN 217 0.132 24.775 22.278 810 HB2 ASN 217 HB2 ASN 217 0.917 23.707 25.006 811 HB3 ASN 217 HB1 ASN 217 -0.419 22.986 24.111 812 HD21 ASN 217 HD21 ASN 217 3.041 23.372 24.251 813 HD22 ASN 217 HD22 ASN 217 3.402 22.261 22.979 814 H LYS 218 HN LYS 218 -0.241 26.323 25.450 815 HA LYS 218 HA LYS 218 -3.050 26.279 25.625 816 HB2 LYS 218 HB2 LYS 218 -1.492 26.957 27.474 817 HB3 LYS 218 HB1 LYS 218 -1.151 28.455 26.620 818 HG2 LYS 218 HG2 LYS 218 -2.756 28.861 28.422 819 HG3 LYS 218 HG1 LYS 218 -3.520 29.144 26.856 820 HD2 LYS 218 HD2 LYS 218 -5.042 27.930 28.369 821 HD3 LYS 218 HD1 LYS 218 -4.625 26.934 26.972 822 HE2 LYS 218 HE2 LYS 218 -2.912 25.760 28.381 823 HE3 LYS 218 HE1 LYS 218 -3.458 26.702 29.770 824 HZ1 LYS 218 HZ1 LYS 218 -5.140 24.830 28.188 825 HZ2 LYS 218 HZ2 LYS 218 -5.638 25.693 29.553 826 HZ3 LYS 218 HZ3 LYS 218 -4.455 24.492 29.695 827 H HIS 219 HN HIS 219 -0.863 28.685 24.173 828 HA HIS 219 HA HIS 219 -2.738 30.544 23.249 829 HB2 HIS 219 HB2 HIS 219 0.102 30.163 22.969 830 HB3 HIS 219 HB1 HIS 219 -0.519 30.388 21.349 831 HD2 HIS 219 HD2 HIS 219 -0.740 32.337 24.783 832 HE1 HIS 219 HE1 HIS 219 -0.647 35.081 21.582 833 HE2 HIS 219 HE2 HIS 219 -0.934 34.805 24.071 834 H LEU 220 HN LEU 220 -1.518 27.546 21.798 835 HA LEU 220 HA LEU 220 -2.510 27.891 19.189 836 HB2 LEU 220 HB2 LEU 220 -1.980 25.343 20.746 837 HB3 LEU 220 HB1 LEU 220 -2.333 25.383 19.019 838 HG LEU 220 HG LEU 220 0.059 26.676 20.354 839 HD11 LEU 220 HD11 LEU 220 0.248 24.268 20.433 840 HD12 LEU 220 HD12 LEU 220 1.404 24.949 19.293 841 HD13 LEU 220 HD13 LEU 220 -0.057 24.161 18.696 842 HD21 LEU 220 HD21 LEU 220 -0.598 27.950 18.400 843 HD22 LEU 220 HD22 LEU 220 -0.631 26.488 17.416 844 HD23 LEU 220 HD23 LEU 220 0.892 27.071 18.078 845 H ASP 221 HN ASP 221 -3.945 26.210 21.988 846 HA ASP 221 HA ASP 221 -6.273 25.311 20.650 847 HB2 ASP 221 HB2 ASP 221 -5.634 25.692 23.595 848 HB3 ASP 221 HB1 ASP 221 -7.178 25.052 23.047 849 H SER 222 HN SER 222 -5.497 28.375 22.144 850 HA SER 222 HA SER 222 -8.191 29.449 21.912 851 HB2 SER 222 HB2 SER 222 -6.576 30.294 23.619 852 HB3 SER 222 HB1 SER 222 -5.540 30.902 22.327 853 HG SER 222 HG SER 222 -8.048 31.819 23.205 854 H CYS 223 HN CYS 223 -5.236 29.432 19.994 855 HA CYS 223 HA CYS 223 -6.008 31.617 18.283 856 HB2 CYS 223 HB2 CYS 223 -3.516 29.896 18.474 857 HB3 CYS 223 HB1 CYS 223 -3.723 31.122 17.223 858 H LEU 224 HN LEU 224 -6.167 28.123 18.077 859 HA LEU 224 HA LEU 224 -6.055 28.007 15.176 860 HB2 LEU 224 HB2 LEU 224 -6.255 25.575 15.404 861 HB3 LEU 224 HB1 LEU 224 -5.024 26.209 16.475 862 HG LEU 224 HG LEU 224 -6.847 26.034 18.351 863 HD11 LEU 224 HD11 LEU 224 -8.815 25.556 17.005 864 HD12 LEU 224 HD12 LEU 224 -8.483 24.210 18.089 865 HD13 LEU 224 HD13 LEU 224 -8.070 24.084 16.377 866 HD21 LEU 224 HD21 LEU 224 -6.199 23.726 18.858 867 HD22 LEU 224 HD22 LEU 224 -4.822 24.671 18.301 868 HD23 LEU 224 HD23 LEU 224 -5.597 23.519 17.211 869 H SER 225 HN SER 225 -8.370 28.961 17.281 870 HA SER 225 HA SER 225 -10.767 27.846 16.292 871 HB2 SER 225 HB2 SER 225 -10.346 30.564 17.606 872 HB3 SER 225 HB1 SER 225 -11.869 29.679 17.495 873 HG SER 225 HG SER 225 -9.951 29.484 19.347 874 H ARG 226 HN ARG 226 -10.344 27.866 14.029 875 HA ARG 226 HA ARG 226 -10.222 30.140 12.354 876 HB2 ARG 226 HB2 ARG 226 -11.193 28.528 10.596 877 HB3 ARG 226 HB1 ARG 226 -9.679 28.045 11.343 878 HG2 ARG 226 HG2 ARG 226 -10.601 26.211 12.396 879 HG3 ARG 226 HG1 ARG 226 -12.157 26.995 12.646 880 HD2 ARG 226 HD2 ARG 226 -11.221 26.000 9.937 881 HD3 ARG 226 HD1 ARG 226 -12.180 25.026 11.060 882 HE ARG 226 HE ARG 226 -13.477 27.499 10.681 883 HH11 ARG 226 HH11 ARG 226 -12.726 24.652 8.766 884 HH12 ARG 226 HH12 ARG 226 -14.188 24.745 7.840 885 HH21 ARG 226 HH21 ARG 226 -15.381 27.611 9.464 886 HH22 ARG 226 HH22 ARG 226 -15.690 26.427 8.233 887 H GLU 227 HN GLU 227 -12.858 28.399 13.855 888 HA GLU 227 HA GLU 227 -14.932 29.928 12.471 889 HB2 GLU 227 HB2 GLU 227 -15.050 27.399 12.797 890 HB3 GLU 227 HB1 GLU 227 -15.252 27.686 14.520 891 HG2 GLU 227 HG2 GLU 227 -17.412 27.276 13.495 892 HG3 GLU 227 HG1 GLU 227 -17.335 28.942 14.066 Start of MODEL 16 1 H1 GLY -2 HT1 GLY -2 1.243 1.410 -5.336 2 H2 GLY -2 HT2 GLY -2 1.821 2.200 -6.712 3 H3 GLY -2 HT3 GLY -2 0.160 2.148 -6.399 4 HA2 GLY -2 HA1 GLY -2 1.056 4.314 -5.866 5 HA3 GLY -2 HA2 GLY -2 0.433 3.494 -4.437 6 H SER -1 HN SER -1 2.191 5.571 -4.189 7 HA SER -1 HA SER -1 4.539 4.287 -2.986 8 HB2 SER -1 HB2 SER -1 4.696 6.705 -4.846 9 HB3 SER -1 HB1 SER -1 6.039 6.068 -3.891 10 HG SER -1 HG SER -1 4.793 4.997 -6.167 11 H HIS 0 HN HIS 0 5.292 5.331 -1.166 12 HA HIS 0 HA HIS 0 3.548 7.241 0.159 13 HB2 HIS 0 HB2 HIS 0 6.175 5.935 1.016 14 HB3 HIS 0 HB1 HIS 0 5.207 6.987 2.039 15 HD1 HIS 0 HD1 HIS 0 3.407 5.874 3.402 16 HD2 HIS 0 HD2 HIS 0 4.816 3.434 0.343 17 HE1 HIS 0 HE1 HIS 0 2.344 3.632 3.772 18 HE2 HIS 0 HE2 HIS 0 3.122 2.211 1.852 19 H MET 1 HN MET 1 3.717 9.310 -0.480 20 HA MET 1 HA MET 1 6.100 10.516 -1.580 21 HB2 MET 1 HB2 MET 1 3.512 11.851 -0.652 22 HB3 MET 1 HB1 MET 1 4.748 12.579 -1.671 23 HG2 MET 1 HG2 MET 1 3.018 10.219 -2.428 24 HG3 MET 1 HG1 MET 1 2.793 11.887 -2.968 25 HE1 MET 1 HE1 MET 1 4.035 10.044 -6.215 26 HE2 MET 1 HE2 MET 1 2.784 11.081 -5.532 27 HE3 MET 1 HE3 MET 1 2.959 9.420 -4.964 28 H GLN 2 HN GLN 2 7.001 12.552 -0.641 29 HA GLN 2 HA GLN 2 7.284 12.314 2.276 30 HB2 GLN 2 HB2 GLN 2 9.262 13.236 0.190 31 HB3 GLN 2 HB1 GLN 2 9.457 13.674 1.883 32 HG2 GLN 2 HG2 GLN 2 10.778 11.778 1.732 33 HG3 GLN 2 HG1 GLN 2 9.274 11.115 2.346 34 HE21 GLN 2 HE21 GLN 2 11.370 11.362 -0.411 35 HE22 GLN 2 HE22 GLN 2 10.695 10.052 -1.302 36 H ILE 3 HN ILE 3 7.140 14.003 3.597 37 HA ILE 3 HA ILE 3 6.600 16.715 2.572 38 HB ILE 3 HB ILE 3 4.855 17.076 4.389 39 HG12 ILE 3 HG12 ILE 3 5.434 14.956 5.724 40 HG13 ILE 3 HG11 ILE 3 3.721 15.268 5.503 41 HG21 ILE 3 HG21 ILE 3 4.165 16.897 2.069 42 HG22 ILE 3 HG22 ILE 3 2.959 16.146 3.114 43 HG23 ILE 3 HG23 ILE 3 4.075 15.138 2.191 44 HD11 ILE 3 HD11 ILE 3 3.629 13.564 3.741 45 HD12 ILE 3 HD12 ILE 3 4.231 12.908 5.263 46 HD13 ILE 3 HD13 ILE 3 5.357 13.257 3.952 47 H PHE 4 HN PHE 4 6.920 18.365 4.235 48 HA PHE 4 HA PHE 4 9.096 17.601 6.103 49 HB2 PHE 4 HB2 PHE 4 8.638 20.269 4.686 50 HB3 PHE 4 HB1 PHE 4 9.980 19.890 5.763 51 HD1 PHE 4 HD2 PHE 4 11.475 17.837 5.068 52 HD2 PHE 4 HD1 PHE 4 8.928 19.951 2.356 53 HE1 PHE 4 HE2 PHE 4 12.794 17.001 3.171 54 HE2 PHE 4 HE1 PHE 4 10.248 19.101 0.465 55 HZ PHE 4 HZ PHE 4 12.182 17.631 0.869 56 H VAL 5 HN VAL 5 8.064 17.353 8.004 57 HA VAL 5 HA VAL 5 6.277 19.467 9.044 58 HB VAL 5 HB VAL 5 6.959 16.677 10.129 59 HG11 VAL 5 HG11 VAL 5 5.206 17.095 11.845 60 HG12 VAL 5 HG12 VAL 5 5.036 18.759 11.270 61 HG13 VAL 5 HG13 VAL 5 6.553 18.222 11.992 62 HG21 VAL 5 HG21 VAL 5 4.604 16.128 9.598 63 HG22 VAL 5 HG22 VAL 5 5.454 16.666 8.150 64 HG23 VAL 5 HG23 VAL 5 4.342 17.757 8.972 65 H LYS 6 HN LYS 6 7.454 21.089 9.927 66 HA LYS 6 HA LYS 6 10.143 20.542 11.027 67 HB2 LYS 6 HB2 LYS 6 9.825 22.041 8.979 68 HB3 LYS 6 HB1 LYS 6 9.011 23.190 10.043 69 HG2 LYS 6 HG2 LYS 6 11.021 23.528 11.332 70 HG3 LYS 6 HG1 LYS 6 11.845 22.210 10.488 71 HD2 LYS 6 HD2 LYS 6 11.597 23.540 8.348 72 HD3 LYS 6 HD1 LYS 6 10.997 24.888 9.324 73 HE2 LYS 6 HE2 LYS 6 13.122 24.926 10.572 74 HE3 LYS 6 HE1 LYS 6 13.705 23.554 9.622 75 HZ1 LYS 6 HZ1 LYS 6 13.529 24.914 7.635 76 HZ2 LYS 6 HZ2 LYS 6 14.561 25.619 8.771 77 HZ3 LYS 6 HZ3 LYS 6 13.003 26.231 8.556 78 H THR 7 HN THR 7 10.512 20.920 13.144 79 HA THR 7 HA THR 7 8.405 21.657 14.915 80 HB THR 7 HB THR 7 10.147 21.484 16.718 81 HG1 THR 7 HG1 THR 7 12.256 20.819 16.061 82 HG21 THR 7 HG21 THR 7 10.184 19.171 14.756 83 HG22 THR 7 HG22 THR 7 8.979 19.440 16.014 84 HG23 THR 7 HG23 THR 7 10.650 19.086 16.454 85 H LEU 8 HN LEU 8 8.595 23.305 16.567 86 HA LEU 8 HA LEU 8 9.203 25.930 15.682 87 HB2 LEU 8 HB2 LEU 8 8.802 24.905 18.517 88 HB3 LEU 8 HB1 LEU 8 8.675 26.581 17.999 89 HG LEU 8 HG LEU 8 6.819 24.328 17.144 90 HD11 LEU 8 HD11 LEU 8 6.493 24.894 19.487 91 HD12 LEU 8 HD12 LEU 8 5.122 25.442 18.527 92 HD13 LEU 8 HD13 LEU 8 6.329 26.605 19.080 93 HD21 LEU 8 HD21 LEU 8 6.645 27.295 16.526 94 HD22 LEU 8 HD22 LEU 8 5.441 26.074 16.107 95 HD23 LEU 8 HD23 LEU 8 7.040 26.014 15.374 96 H THR 9 HN THR 9 11.077 23.467 17.338 97 HA THR 9 HA THR 9 13.259 25.190 18.149 98 HB THR 9 HB THR 9 14.451 22.975 18.584 99 HG1 THR 9 HG1 THR 9 13.496 21.132 18.048 100 HG21 THR 9 HG21 THR 9 11.688 23.252 19.837 101 HG22 THR 9 HG22 THR 9 13.152 24.070 20.387 102 HG23 THR 9 HG23 THR 9 13.029 22.314 20.496 103 H GLY 10 HN GLY 10 12.307 23.599 15.224 104 HA2 GLY 10 HA2 GLY 10 12.954 24.612 13.200 105 HA3 GLY 10 HA1 GLY 10 14.498 25.046 13.903 106 H LYS 11 HN LYS 11 13.603 21.800 14.513 107 HA LYS 11 HA LYS 11 15.470 20.791 12.501 108 HB2 LYS 11 HB2 LYS 11 15.459 18.743 13.629 109 HB3 LYS 11 HB1 LYS 11 15.095 19.831 14.962 110 HG2 LYS 11 HG2 LYS 11 12.729 19.275 14.831 111 HG3 LYS 11 HG1 LYS 11 13.008 18.318 13.372 112 HD2 LYS 11 HD2 LYS 11 14.337 17.598 16.004 113 HD3 LYS 11 HD1 LYS 11 12.680 17.104 15.658 114 HE2 LYS 11 HE2 LYS 11 14.210 15.292 15.096 115 HE3 LYS 11 HE1 LYS 11 13.467 15.914 13.626 116 HZ1 LYS 11 HZ1 LYS 11 16.183 16.628 14.580 117 HZ2 LYS 11 HZ2 LYS 11 15.479 17.081 13.111 118 HZ3 LYS 11 HZ3 LYS 11 15.844 15.461 13.408 119 H THR 12 HN THR 12 14.795 19.345 10.812 120 HA THR 12 HA THR 12 11.941 19.625 10.036 121 HB THR 12 HB THR 12 14.325 18.932 8.288 122 HG1 THR 12 HG1 THR 12 13.815 21.237 9.325 123 HG21 THR 12 HG21 THR 12 12.784 19.476 6.396 124 HG22 THR 12 HG22 THR 12 11.464 19.711 7.544 125 HG23 THR 12 HG23 THR 12 12.183 18.113 7.342 126 H ILE 13 HN ILE 13 10.739 17.862 9.949 127 HA ILE 13 HA ILE 13 11.929 15.164 10.187 128 HB ILE 13 HB ILE 13 9.121 16.072 10.968 129 HG12 ILE 13 HG12 ILE 13 10.101 15.253 13.332 130 HG13 ILE 13 HG11 ILE 13 11.646 15.639 12.596 131 HG21 ILE 13 HG21 ILE 13 9.132 13.761 10.186 132 HG22 ILE 13 HG22 ILE 13 8.847 13.817 11.923 133 HG23 ILE 13 HG23 ILE 13 10.435 13.359 11.302 134 HD11 ILE 13 HD11 ILE 13 9.350 17.552 12.980 135 HD12 ILE 13 HD12 ILE 13 10.920 17.942 12.271 136 HD13 ILE 13 HD13 ILE 13 10.811 17.454 13.962 137 H THR 14 HN THR 14 12.024 14.237 8.222 138 HA THR 14 HA THR 14 10.063 14.816 6.118 139 HB THR 14 HB THR 14 12.588 13.097 6.056 140 HG1 THR 14 HG1 THR 14 12.063 15.817 5.590 141 HG21 THR 14 HG21 THR 14 12.382 13.215 3.580 142 HG22 THR 14 HG22 THR 14 10.859 14.087 3.743 143 HG23 THR 14 HG23 THR 14 10.977 12.412 4.287 144 H LEU 15 HN LEU 15 8.254 13.597 6.044 145 HA LEU 15 HA LEU 15 8.220 10.844 7.173 146 HB2 LEU 15 HB2 LEU 15 5.807 12.578 6.479 147 HB3 LEU 15 HB1 LEU 15 5.782 11.033 7.301 148 HG LEU 15 HG LEU 15 5.400 12.629 8.994 149 HD11 LEU 15 HD11 LEU 15 8.364 12.050 9.170 150 HD12 LEU 15 HD12 LEU 15 7.077 10.926 9.600 151 HD13 LEU 15 HD13 LEU 15 7.261 12.423 10.501 152 HD21 LEU 15 HD21 LEU 15 6.038 14.645 7.751 153 HD22 LEU 15 HD22 LEU 15 7.746 14.257 7.971 154 HD23 LEU 15 HD23 LEU 15 6.736 14.634 9.369 155 H GLU 16 HN GLU 16 7.010 9.250 6.031 156 HA GLU 16 HA GLU 16 6.890 9.604 3.090 157 HB2 GLU 16 HB2 GLU 16 7.716 7.111 4.642 158 HB3 GLU 16 HB1 GLU 16 7.636 7.255 2.886 159 HG2 GLU 16 HG2 GLU 16 9.513 8.728 2.817 160 HG3 GLU 16 HG1 GLU 16 9.460 9.005 4.559 161 H VAL 17 HN VAL 17 4.680 10.116 3.268 162 HA VAL 17 HA VAL 17 2.854 7.813 3.580 163 HB VAL 17 HB VAL 17 1.161 9.046 4.814 164 HG11 VAL 17 HG11 VAL 17 2.188 9.481 7.007 165 HG12 VAL 17 HG12 VAL 17 3.791 9.487 6.269 166 HG13 VAL 17 HG13 VAL 17 2.831 8.006 6.280 167 HG21 VAL 17 HG21 VAL 17 1.438 11.385 5.579 168 HG22 VAL 17 HG22 VAL 17 1.460 11.261 3.821 169 HG23 VAL 17 HG23 VAL 17 2.968 11.485 4.709 170 H GLU 18 HN GLU 18 0.584 8.602 2.648 171 HA GLU 18 HA GLU 18 1.094 10.102 0.164 172 HB2 GLU 18 HB2 GLU 18 -1.542 8.804 0.974 173 HB3 GLU 18 HB1 GLU 18 -0.984 9.227 -0.644 174 HG2 GLU 18 HG2 GLU 18 0.894 7.499 -0.255 175 HG3 GLU 18 HG1 GLU 18 -0.065 6.975 1.128 176 HA PRO 19 HA PRO 19 -0.932 13.877 1.711 177 HB2 PRO 19 HB2 PRO 19 -2.146 14.685 -0.692 178 HB3 PRO 19 HB1 PRO 19 -0.491 15.076 -0.208 179 HG2 PRO 19 HG2 PRO 19 -1.469 12.876 -2.009 180 HG3 PRO 19 HG1 PRO 19 -0.048 13.927 -2.191 181 HD2 PRO 19 HD2 PRO 19 0.207 11.392 -1.329 182 HD3 PRO 19 HD1 PRO 19 1.219 12.685 -0.650 183 H SER 20 HN SER 20 -2.616 11.305 -0.036 184 HA SER 20 HA SER 20 -5.234 12.142 1.082 185 HB2 SER 20 HB2 SER 20 -5.048 11.737 -1.398 186 HB3 SER 20 HB1 SER 20 -4.658 10.053 -1.063 187 HG SER 20 HG SER 20 -6.754 10.008 0.077 188 H ASP 21 HN ASP 21 -2.846 10.596 2.418 189 HA ASP 21 HA ASP 21 -3.974 7.992 2.998 190 HB2 ASP 21 HB2 ASP 21 -1.456 8.552 2.899 191 HB3 ASP 21 HB1 ASP 21 -1.650 9.316 4.469 192 H THR 22 HN THR 22 -2.772 9.975 5.680 193 HA THR 22 HA THR 22 -5.098 11.189 6.582 194 HB THR 22 HB THR 22 -6.114 9.065 7.130 195 HG1 THR 22 HG1 THR 22 -6.637 10.266 8.830 196 HG21 THR 22 HG21 THR 22 -4.100 7.624 7.150 197 HG22 THR 22 HG22 THR 22 -5.104 7.361 8.577 198 HG23 THR 22 HG23 THR 22 -3.630 8.320 8.707 199 H ILE 23 HN ILE 23 -4.729 12.455 8.400 200 HA ILE 23 HA ILE 23 -2.101 13.292 8.938 201 HB ILE 23 HB ILE 23 -4.653 13.815 10.526 202 HG12 ILE 23 HG12 ILE 23 -4.803 14.627 8.191 203 HG13 ILE 23 HG11 ILE 23 -4.763 15.978 9.313 204 HG21 ILE 23 HG21 ILE 23 -3.517 15.779 11.514 205 HG22 ILE 23 HG22 ILE 23 -2.012 15.314 10.717 206 HG23 ILE 23 HG23 ILE 23 -2.716 14.271 11.952 207 HD11 ILE 23 HD11 ILE 23 -2.456 14.985 7.642 208 HD12 ILE 23 HD12 ILE 23 -2.396 16.341 8.771 209 HD13 ILE 23 HD13 ILE 23 -3.428 16.426 7.344 210 H GLU 24 HN GLU 24 -4.304 11.146 10.706 211 HA GLU 24 HA GLU 24 -2.917 10.849 13.130 212 HB2 GLU 24 HB2 GLU 24 -5.258 10.069 12.633 213 HB3 GLU 24 HB1 GLU 24 -4.587 8.744 11.691 214 HG2 GLU 24 HG2 GLU 24 -3.511 7.835 13.721 215 HG3 GLU 24 HG1 GLU 24 -4.151 9.179 14.667 216 H ASN 25 HN ASN 25 -2.497 9.273 10.013 217 HA ASN 25 HA ASN 25 -0.547 7.327 10.811 218 HB2 ASN 25 HB2 ASN 25 -1.988 7.236 8.729 219 HB3 ASN 25 HB1 ASN 25 -0.989 8.489 8.029 220 HD21 ASN 25 HD21 ASN 25 -0.931 5.230 9.309 221 HD22 ASN 25 HD22 ASN 25 0.393 4.674 8.356 222 H VAL 26 HN VAL 26 -0.431 10.521 9.299 223 HA VAL 26 HA VAL 26 2.296 10.792 8.771 224 HB VAL 26 HB VAL 26 0.466 13.075 9.689 225 HG11 VAL 26 HG11 VAL 26 3.000 13.184 7.995 226 HG12 VAL 26 HG12 VAL 26 2.845 13.732 9.663 227 HG13 VAL 26 HG13 VAL 26 1.961 14.562 8.384 228 HG21 VAL 26 HG21 VAL 26 0.911 12.036 6.871 229 HG22 VAL 26 HG22 VAL 26 -0.033 13.460 7.304 230 HG23 VAL 26 HG23 VAL 26 -0.561 11.863 7.821 231 H LYS 27 HN LYS 27 0.495 11.669 11.731 232 HA LYS 27 HA LYS 27 2.741 12.722 13.118 233 HB2 LYS 27 HB2 LYS 27 1.295 12.926 15.045 234 HB3 LYS 27 HB1 LYS 27 0.442 13.439 13.596 235 HG2 LYS 27 HG2 LYS 27 -0.748 11.246 13.566 236 HG3 LYS 27 HG1 LYS 27 0.056 10.825 15.082 237 HD2 LYS 27 HD2 LYS 27 -2.187 11.668 15.552 238 HD3 LYS 27 HD1 LYS 27 -0.982 12.796 16.178 239 HE2 LYS 27 HE2 LYS 27 -1.304 14.176 14.084 240 HE3 LYS 27 HE1 LYS 27 -2.626 13.095 13.644 241 HZ1 LYS 27 HZ1 LYS 27 -2.481 14.855 16.030 242 HZ2 LYS 27 HZ2 LYS 27 -3.682 13.692 15.788 243 HZ3 LYS 27 HZ3 LYS 27 -3.541 14.992 14.719 244 H ALA 28 HN ALA 28 1.235 9.502 13.047 245 HA ALA 28 HA ALA 28 2.732 8.219 15.043 246 HB1 ALA 28 HB1 ALA 28 0.870 7.149 13.843 247 HB2 ALA 28 HB2 ALA 28 2.317 6.146 13.767 248 HB3 ALA 28 HB3 ALA 28 1.829 7.099 12.362 249 H LYS 29 HN LYS 29 3.556 8.986 11.680 250 HA LYS 29 HA LYS 29 6.093 7.724 11.637 251 HB2 LYS 29 HB2 LYS 29 5.178 10.029 9.871 252 HB3 LYS 29 HB1 LYS 29 6.485 8.900 9.529 253 HG2 LYS 29 HG2 LYS 29 3.537 8.238 9.687 254 HG3 LYS 29 HG1 LYS 29 4.493 8.386 8.214 255 HD2 LYS 29 HD2 LYS 29 5.714 6.392 8.676 256 HD3 LYS 29 HD1 LYS 29 5.184 6.356 10.361 257 HE2 LYS 29 HE2 LYS 29 3.356 5.965 7.968 258 HE3 LYS 29 HE1 LYS 29 4.029 4.669 8.959 259 HZ1 LYS 29 HZ1 LYS 29 2.885 5.600 10.873 260 HZ2 LYS 29 HZ2 LYS 29 1.798 5.191 9.649 261 HZ3 LYS 29 HZ3 LYS 29 2.212 6.808 9.901 262 H ILE 30 HN ILE 30 5.122 11.123 12.511 263 HA ILE 30 HA ILE 30 7.743 12.159 12.763 264 HB ILE 30 HB ILE 30 5.180 12.982 14.197 265 HG12 ILE 30 HG12 ILE 30 5.842 15.238 12.923 266 HG13 ILE 30 HG11 ILE 30 6.836 14.172 11.942 267 HG21 ILE 30 HG21 ILE 30 7.903 14.268 14.612 268 HG22 ILE 30 HG22 ILE 30 6.940 13.421 15.825 269 HG23 ILE 30 HG23 ILE 30 6.365 14.947 15.158 270 HD11 ILE 30 HD11 ILE 30 4.839 12.940 11.288 271 HD12 ILE 30 HD12 ILE 30 4.726 14.655 10.896 272 HD13 ILE 30 HD13 ILE 30 3.855 14.011 12.288 273 H GLN 31 HN GLN 31 5.735 10.382 15.110 274 HA GLN 31 HA GLN 31 7.560 10.341 17.274 275 HB2 GLN 31 HB2 GLN 31 5.176 9.695 17.523 276 HB3 GLN 31 HB1 GLN 31 5.445 8.270 16.522 277 HG2 GLN 31 HG2 GLN 31 6.999 7.365 18.223 278 HG3 GLN 31 HG1 GLN 31 6.745 8.791 19.223 279 HE21 GLN 31 HE21 GLN 31 4.157 7.138 17.460 280 HE22 GLN 31 HE22 GLN 31 3.342 6.564 18.867 281 H ASP 32 HN ASP 32 7.285 8.364 14.395 282 HA ASP 32 HA ASP 32 9.213 6.377 15.159 283 HB2 ASP 32 HB2 ASP 32 7.352 6.007 13.524 284 HB3 ASP 32 HB1 ASP 32 8.144 7.098 12.396 285 H LYS 33 HN LYS 33 9.442 9.591 13.773 286 HA LYS 33 HA LYS 33 12.109 9.112 12.599 287 HB2 LYS 33 HB2 LYS 33 10.352 11.586 12.459 288 HB3 LYS 33 HB1 LYS 33 11.894 11.399 11.635 289 HG2 LYS 33 HG2 LYS 33 9.446 9.692 11.107 290 HG3 LYS 33 HG1 LYS 33 9.881 11.123 10.180 291 HD2 LYS 33 HD2 LYS 33 11.962 10.017 9.445 292 HD3 LYS 33 HD1 LYS 33 11.546 8.586 10.397 293 HE2 LYS 33 HE2 LYS 33 9.541 8.226 9.010 294 HE3 LYS 33 HE1 LYS 33 9.894 9.694 8.097 295 HZ1 LYS 33 HZ1 LYS 33 11.668 7.321 8.216 296 HZ2 LYS 33 HZ2 LYS 33 11.898 8.700 7.272 297 HZ3 LYS 33 HZ3 LYS 33 10.602 7.664 6.950 298 H GLU 34 HN GLU 34 10.659 11.780 14.593 299 HA GLU 34 HA GLU 34 13.312 12.378 15.663 300 HB2 GLU 34 HB2 GLU 34 12.441 14.438 16.509 301 HB3 GLU 34 HB1 GLU 34 11.882 14.253 14.856 302 HG2 GLU 34 HG2 GLU 34 9.641 13.733 15.598 303 HG3 GLU 34 HG1 GLU 34 10.158 13.641 17.281 304 H GLY 35 HN GLY 35 10.463 10.705 16.717 305 HA2 GLY 35 HA2 GLY 35 10.536 9.081 18.398 306 HA3 GLY 35 HA1 GLY 35 11.962 9.842 19.080 307 H ILE 36 HN ILE 36 9.236 11.876 18.372 308 HA ILE 36 HA ILE 36 8.595 12.036 21.260 309 HB ILE 36 HB ILE 36 8.332 14.152 19.062 310 HG12 ILE 36 HG12 ILE 36 9.564 15.570 20.845 311 HG13 ILE 36 HG11 ILE 36 9.790 14.086 21.755 312 HG21 ILE 36 HG21 ILE 36 6.210 14.203 20.308 313 HG22 ILE 36 HG22 ILE 36 7.171 15.629 20.704 314 HG23 ILE 36 HG23 ILE 36 7.083 14.280 21.843 315 HD11 ILE 36 HD11 ILE 36 10.894 14.677 19.022 316 HD12 ILE 36 HD12 ILE 36 11.135 13.182 19.929 317 HD13 ILE 36 HD13 ILE 36 11.779 14.703 20.545 318 HA PRO 37 HA PRO 37 4.829 9.805 20.240 319 HB2 PRO 37 HB2 PRO 37 3.368 10.314 22.529 320 HB3 PRO 37 HB1 PRO 37 4.705 9.157 22.465 321 HG2 PRO 37 HG2 PRO 37 4.729 12.030 23.390 322 HG3 PRO 37 HG1 PRO 37 5.431 10.598 24.172 323 HD2 PRO 37 HD2 PRO 37 6.966 12.282 22.743 324 HD3 PRO 37 HD1 PRO 37 7.262 10.534 22.697 325 HA PRO 38 HA PRO 38 2.109 12.646 18.174 326 HB2 PRO 38 HB2 PRO 38 -0.316 11.301 18.189 327 HB3 PRO 38 HB1 PRO 38 1.054 10.846 17.165 328 HG2 PRO 38 HG2 PRO 38 0.255 9.721 19.854 329 HG3 PRO 38 HG1 PRO 38 0.680 8.850 18.364 330 HD2 PRO 38 HD2 PRO 38 2.492 9.146 20.306 331 HD3 PRO 38 HD1 PRO 38 2.979 9.304 18.604 332 H ASP 39 HN ASP 39 1.353 11.726 21.403 333 HA ASP 39 HA ASP 39 -0.763 13.608 21.892 334 HB2 ASP 39 HB2 ASP 39 -0.451 11.554 23.253 335 HB3 ASP 39 HB1 ASP 39 1.106 12.148 23.821 336 H GLN 40 HN GLN 40 2.748 13.617 22.106 337 HA GLN 40 HA GLN 40 2.895 16.166 23.526 338 HB2 GLN 40 HB2 GLN 40 4.793 13.921 22.952 339 HB3 GLN 40 HB1 GLN 40 5.516 15.507 23.132 340 HG2 GLN 40 HG2 GLN 40 5.380 13.991 25.209 341 HG3 GLN 40 HG1 GLN 40 4.923 15.681 25.379 342 HE21 GLN 40 HE21 GLN 40 3.712 12.397 25.298 343 HE22 GLN 40 HE22 GLN 40 2.158 12.759 25.962 344 H GLN 41 HN GLN 41 3.512 14.888 20.309 345 HA GLN 41 HA GLN 41 4.395 17.552 19.398 346 HB2 GLN 41 HB2 GLN 41 5.015 16.367 17.273 347 HB3 GLN 41 HB1 GLN 41 5.905 15.871 18.694 348 HG2 GLN 41 HG2 GLN 41 5.543 13.799 17.823 349 HG3 GLN 41 HG1 GLN 41 4.051 13.944 18.723 350 HE21 GLN 41 HE21 GLN 41 3.501 12.247 17.159 351 HE22 GLN 41 HE22 GLN 41 2.828 12.724 15.654 352 H ARG 42 HN ARG 42 3.146 18.792 18.133 353 HA ARG 42 HA ARG 42 0.338 17.953 17.713 354 HB2 ARG 42 HB2 ARG 42 0.956 19.599 19.632 355 HB3 ARG 42 HB1 ARG 42 1.295 20.776 18.370 356 HG2 ARG 42 HG2 ARG 42 -1.043 20.710 17.638 357 HG3 ARG 42 HG1 ARG 42 -1.397 19.433 18.810 358 HD2 ARG 42 HD2 ARG 42 -0.693 21.011 20.638 359 HD3 ARG 42 HD1 ARG 42 -0.552 22.282 19.423 360 HE ARG 42 HE ARG 42 -3.110 21.344 19.139 361 HH11 ARG 42 HH11 ARG 42 -1.278 22.657 21.827 362 HH12 ARG 42 HH12 ARG 42 -2.668 23.318 22.629 363 HH21 ARG 42 HH21 ARG 42 -4.956 22.213 20.209 364 HH22 ARG 42 HH22 ARG 42 -4.760 23.061 21.710 365 H LEU 43 HN LEU 43 -0.476 18.312 15.712 366 HA LEU 43 HA LEU 43 1.398 19.195 13.627 367 HB2 LEU 43 HB2 LEU 43 -1.037 17.398 13.678 368 HB3 LEU 43 HB1 LEU 43 -0.588 18.150 12.162 369 HG LEU 43 HG LEU 43 0.305 15.880 12.280 370 HD11 LEU 43 HD11 LEU 43 2.523 17.943 12.464 371 HD12 LEU 43 HD12 LEU 43 1.559 17.588 11.031 372 HD13 LEU 43 HD13 LEU 43 2.629 16.353 11.695 373 HD21 LEU 43 HD21 LEU 43 0.496 15.651 14.717 374 HD22 LEU 43 HD22 LEU 43 1.846 16.788 14.738 375 HD23 LEU 43 HD23 LEU 43 2.012 15.231 13.922 376 H ILE 44 HN ILE 44 1.174 21.079 12.636 377 HA ILE 44 HA ILE 44 -1.436 22.397 12.382 378 HB ILE 44 HB ILE 44 1.022 23.695 13.650 379 HG12 ILE 44 HG12 ILE 44 -1.838 23.467 14.720 380 HG13 ILE 44 HG11 ILE 44 -0.541 22.359 15.139 381 HG21 ILE 44 HG21 ILE 44 -1.515 25.120 12.735 382 HG22 ILE 44 HG22 ILE 44 0.099 25.318 12.052 383 HG23 ILE 44 HG23 ILE 44 -0.225 25.850 13.698 384 HD11 ILE 44 HD11 ILE 44 -0.947 23.974 16.865 385 HD12 ILE 44 HD12 ILE 44 -0.593 25.294 15.749 386 HD13 ILE 44 HD13 ILE 44 0.674 24.145 16.200 387 H PHE 45 HN PHE 45 -1.704 23.273 10.407 388 HA PHE 45 HA PHE 45 0.631 24.147 8.808 389 HB2 PHE 45 HB2 PHE 45 -0.154 21.979 7.885 390 HB3 PHE 45 HB1 PHE 45 -1.798 22.588 7.796 391 HD1 PHE 45 HD2 PHE 45 1.587 22.825 6.286 392 HD2 PHE 45 HD1 PHE 45 -2.511 23.989 5.915 393 HE1 PHE 45 HE2 PHE 45 2.001 23.543 3.975 394 HE2 PHE 45 HE1 PHE 45 -2.087 24.706 3.604 395 HZ PHE 45 HZ PHE 45 0.162 24.486 2.628 396 H ALA 46 HN ALA 46 0.376 26.224 8.224 397 HA ALA 46 HA ALA 46 -0.476 28.234 7.633 398 HB1 ALA 46 HB1 ALA 46 -2.615 28.331 6.445 399 HB2 ALA 46 HB2 ALA 46 -3.043 26.727 7.054 400 HB3 ALA 46 HB3 ALA 46 -1.693 26.915 5.931 401 H GLY 47 HN GLY 47 -0.930 27.069 10.442 402 HA2 GLY 47 HA2 GLY 47 -1.406 28.282 12.378 403 HA3 GLY 47 HA1 GLY 47 -2.413 29.381 11.453 404 H LYS 48 HN LYS 48 -3.105 26.044 10.897 405 HA LYS 48 HA LYS 48 -5.148 25.962 13.077 406 HB2 LYS 48 HB2 LYS 48 -6.730 24.889 11.554 407 HB3 LYS 48 HB1 LYS 48 -6.217 26.431 10.882 408 HG2 LYS 48 HG2 LYS 48 -4.415 24.794 9.660 409 HG3 LYS 48 HG1 LYS 48 -5.736 23.654 9.879 410 HD2 LYS 48 HD2 LYS 48 -5.831 24.712 7.682 411 HD3 LYS 48 HD1 LYS 48 -7.249 25.148 8.643 412 HE2 LYS 48 HE2 LYS 48 -6.184 27.326 9.181 413 HE3 LYS 48 HE1 LYS 48 -4.794 26.880 8.188 414 HZ1 LYS 48 HZ1 LYS 48 -7.572 27.093 7.184 415 HZ2 LYS 48 HZ2 LYS 48 -6.179 26.846 6.258 416 HZ3 LYS 48 HZ3 LYS 48 -6.417 28.317 7.054 417 H GLN 49 HN GLN 49 -5.550 23.921 13.977 418 HA GLN 49 HA GLN 49 -3.346 22.076 13.953 419 HB2 GLN 49 HB2 GLN 49 -4.665 22.563 16.019 420 HB3 GLN 49 HB1 GLN 49 -6.082 21.816 15.288 421 HG2 GLN 49 HG2 GLN 49 -4.818 19.654 15.158 422 HG3 GLN 49 HG1 GLN 49 -3.480 20.423 16.009 423 HE21 GLN 49 HE21 GLN 49 -6.742 19.196 16.299 424 HE22 GLN 49 HE22 GLN 49 -6.797 19.188 18.027 425 H LEU 50 HN LEU 50 -3.261 20.040 13.040 426 HA LEU 50 HA LEU 50 -5.140 19.448 10.909 427 HB2 LEU 50 HB2 LEU 50 -2.647 17.910 11.679 428 HB3 LEU 50 HB1 LEU 50 -3.539 17.811 10.169 429 HG LEU 50 HG LEU 50 -1.767 20.082 11.131 430 HD11 LEU 50 HD11 LEU 50 -0.483 19.609 9.109 431 HD12 LEU 50 HD12 LEU 50 -1.582 18.286 8.709 432 HD13 LEU 50 HD13 LEU 50 -0.584 18.200 10.164 433 HD21 LEU 50 HD21 LEU 50 -3.531 20.097 8.661 434 HD22 LEU 50 HD22 LEU 50 -2.330 21.314 9.088 435 HD23 LEU 50 HD23 LEU 50 -3.752 21.099 10.098 436 H GLU 51 HN GLU 51 -6.810 18.114 11.228 437 HA GLU 51 HA GLU 51 -7.231 16.712 13.707 438 HB2 GLU 51 HB2 GLU 51 -9.052 17.928 12.609 439 HB3 GLU 51 HB1 GLU 51 -8.868 16.960 11.154 440 HG2 GLU 51 HG2 GLU 51 -9.636 14.962 12.373 441 HG3 GLU 51 HG1 GLU 51 -9.804 15.918 13.846 442 H ASP 52 HN ASP 52 -7.276 14.488 14.013 443 HA ASP 52 HA ASP 52 -5.401 12.925 12.620 444 HB2 ASP 52 HB2 ASP 52 -7.610 12.054 14.536 445 HB3 ASP 52 HB1 ASP 52 -6.307 11.000 13.990 446 H GLY 53 HN GLY 53 -8.936 13.010 12.435 447 HA2 GLY 53 HA2 GLY 53 -9.297 10.700 10.791 448 HA3 GLY 53 HA1 GLY 53 -10.490 11.940 11.128 449 H ARG 54 HN ARG 54 -8.586 14.040 10.045 450 HA ARG 54 HA ARG 54 -9.439 13.942 7.278 451 HB2 ARG 54 HB2 ARG 54 -7.806 15.990 8.831 452 HB3 ARG 54 HB1 ARG 54 -8.320 16.208 7.154 453 HG2 ARG 54 HG2 ARG 54 -10.686 16.029 7.899 454 HG3 ARG 54 HG1 ARG 54 -10.136 15.890 9.566 455 HD2 ARG 54 HD2 ARG 54 -9.105 18.099 9.414 456 HD3 ARG 54 HD1 ARG 54 -9.646 18.275 7.744 457 HE ARG 54 HE ARG 54 -11.587 17.903 9.951 458 HH11 ARG 54 HH11 ARG 54 -10.411 19.816 7.251 459 HH12 ARG 54 HH12 ARG 54 -11.662 21.011 7.396 460 HH21 ARG 54 HH21 ARG 54 -13.217 19.478 10.124 461 HH22 ARG 54 HH22 ARG 54 -13.248 20.822 9.028 462 H THR 55 HN THR 55 -7.740 14.854 5.644 463 HA THR 55 HA THR 55 -5.273 13.199 5.747 464 HB THR 55 HB THR 55 -5.293 13.258 3.257 465 HG1 THR 55 HG1 THR 55 -7.917 14.130 3.070 466 HG21 THR 55 HG21 THR 55 -6.373 11.342 4.363 467 HG22 THR 55 HG22 THR 55 -7.193 11.743 2.854 468 HG23 THR 55 HG23 THR 55 -7.911 12.214 4.395 469 H LEU 56 HN LEU 56 -3.472 14.151 4.439 470 HA LEU 56 HA LEU 56 -2.746 16.773 5.198 471 HB2 LEU 56 HB2 LEU 56 -1.716 15.000 2.947 472 HB3 LEU 56 HB1 LEU 56 -0.978 16.539 3.351 473 HG LEU 56 HG LEU 56 -1.147 14.163 5.255 474 HD11 LEU 56 HD11 LEU 56 0.304 13.631 3.349 475 HD12 LEU 56 HD12 LEU 56 1.259 13.851 4.811 476 HD13 LEU 56 HD13 LEU 56 1.215 15.127 3.591 477 HD21 LEU 56 HD21 LEU 56 -1.016 16.330 6.429 478 HD22 LEU 56 HD22 LEU 56 0.413 16.774 5.495 479 HD23 LEU 56 HD23 LEU 56 0.478 15.418 6.626 480 H SER 57 HN SER 57 -3.969 15.457 2.149 481 HA SER 57 HA SER 57 -3.927 17.733 0.528 482 HB2 SER 57 HB2 SER 57 -4.123 15.379 -0.285 483 HB3 SER 57 HB1 SER 57 -5.763 15.297 0.353 484 HG SER 57 HG SER 57 -6.007 17.299 -1.109 485 H ASP 58 HN ASP 58 -6.214 16.650 2.981 486 HA ASP 58 HA ASP 58 -8.512 18.160 2.230 487 HB2 ASP 58 HB2 ASP 58 -8.549 16.277 3.875 488 HB3 ASP 58 HB1 ASP 58 -7.611 17.242 5.006 489 H TYR 59 HN TYR 59 -5.726 18.822 4.322 490 HA TYR 59 HA TYR 59 -6.592 21.535 4.931 491 HB2 TYR 59 HB2 TYR 59 -4.333 19.757 5.877 492 HB3 TYR 59 HB1 TYR 59 -4.282 21.485 6.193 493 HD1 TYR 59 HD2 TYR 59 -6.350 22.520 7.386 494 HD2 TYR 59 HD1 TYR 59 -5.483 18.336 7.384 495 HE1 TYR 59 HE2 TYR 59 -7.722 22.242 9.395 496 HE2 TYR 59 HE1 TYR 59 -6.856 18.061 9.393 497 HH TYR 59 HH TYR 59 -7.577 19.708 11.382 498 H ASN 60 HN ASN 60 -5.605 20.533 2.143 499 HA ASN 60 HA ASN 60 -4.666 21.468 0.313 500 HB2 ASN 60 HB2 ASN 60 -4.025 23.890 2.062 501 HB3 ASN 60 HB1 ASN 60 -3.972 23.853 0.303 502 HD21 ASN 60 HD21 ASN 60 -6.076 23.772 3.111 503 HD22 ASN 60 HD22 ASN 60 -7.526 24.223 2.284 504 H ILE 61 HN ILE 61 -3.080 19.983 2.443 505 HA ILE 61 HA ILE 61 -0.310 20.864 1.999 506 HB ILE 61 HB ILE 61 -1.259 18.408 3.537 507 HG12 ILE 61 HG12 ILE 61 -0.614 21.070 4.856 508 HG13 ILE 61 HG11 ILE 61 -2.247 20.639 4.369 509 HG21 ILE 61 HG21 ILE 61 0.910 18.543 4.708 510 HG22 ILE 61 HG22 ILE 61 1.356 19.955 3.746 511 HG23 ILE 61 HG23 ILE 61 1.139 18.389 2.964 512 HD11 ILE 61 HD11 ILE 61 -2.255 18.750 5.862 513 HD12 ILE 61 HD12 ILE 61 -1.812 20.215 6.741 514 HD13 ILE 61 HD13 ILE 61 -0.565 19.048 6.299 515 H GLN 62 HN GLN 62 0.622 20.149 0.176 516 HA GLN 62 HA GLN 62 -0.011 17.475 -0.936 517 HB2 GLN 62 HB2 GLN 62 1.068 18.228 -2.995 518 HB3 GLN 62 HB1 GLN 62 -0.163 19.388 -2.530 519 HG2 GLN 62 HG2 GLN 62 1.444 21.004 -1.839 520 HG3 GLN 62 HG1 GLN 62 2.750 19.826 -1.824 521 HE21 GLN 62 HE21 GLN 62 3.709 19.212 -3.791 522 HE22 GLN 62 HE22 GLN 62 3.501 20.137 -5.239 523 H LYS 63 HN LYS 63 2.122 16.540 -2.029 524 HA LYS 63 HA LYS 63 4.093 15.987 -0.099 525 HB2 LYS 63 HB2 LYS 63 5.408 15.026 -1.954 526 HB3 LYS 63 HB1 LYS 63 3.732 14.496 -2.001 527 HG2 LYS 63 HG2 LYS 63 3.254 16.072 -3.828 528 HG3 LYS 63 HG1 LYS 63 4.912 16.678 -3.762 529 HD2 LYS 63 HD2 LYS 63 4.104 13.824 -4.440 530 HD3 LYS 63 HD1 LYS 63 4.577 15.053 -5.617 531 HE2 LYS 63 HE2 LYS 63 6.821 15.133 -4.725 532 HE3 LYS 63 HE1 LYS 63 6.382 14.093 -3.368 533 HZ1 LYS 63 HZ1 LYS 63 5.987 12.296 -4.908 534 HZ2 LYS 63 HZ2 LYS 63 7.558 12.886 -5.091 535 HZ3 LYS 63 HZ3 LYS 63 6.370 13.289 -6.218 536 H GLU 64 HN GLU 64 6.112 16.791 0.240 537 HA GLU 64 HA GLU 64 7.870 18.140 0.397 538 HB2 GLU 64 HB2 GLU 64 7.010 19.428 -2.221 539 HB3 GLU 64 HB1 GLU 64 8.581 19.617 -1.446 540 HG2 GLU 64 HG2 GLU 64 7.456 17.039 -2.609 541 HG3 GLU 64 HG1 GLU 64 8.689 18.060 -3.347 542 H SER 65 HN SER 65 4.753 19.099 0.836 543 HA SER 65 HA SER 65 5.091 21.921 1.243 544 HB2 SER 65 HB2 SER 65 3.016 20.032 2.432 545 HB3 SER 65 HB1 SER 65 2.938 21.797 2.491 546 HG SER 65 HG SER 65 3.016 20.231 0.128 547 H THR 66 HN THR 66 5.836 23.002 2.969 548 HA THR 66 HA THR 66 6.837 21.536 5.300 549 HB THR 66 HB THR 66 7.275 24.449 4.516 550 HG1 THR 66 HG1 THR 66 8.215 22.489 3.250 551 HG21 THR 66 HG21 THR 66 7.568 24.061 6.958 552 HG22 THR 66 HG22 THR 66 9.111 24.401 6.174 553 HG23 THR 66 HG23 THR 66 8.693 22.743 6.611 554 H LEU 67 HN LEU 67 5.741 21.535 7.130 555 HA LEU 67 HA LEU 67 3.831 23.668 7.809 556 HB2 LEU 67 HB2 LEU 67 2.408 21.940 8.935 557 HB3 LEU 67 HB1 LEU 67 2.412 21.841 7.191 558 HG LEU 67 HG LEU 67 4.232 20.012 8.775 559 HD11 LEU 67 HD11 LEU 67 1.295 19.461 8.244 560 HD12 LEU 67 HD12 LEU 67 2.027 19.749 9.823 561 HD13 LEU 67 HD13 LEU 67 2.468 18.313 8.901 562 HD21 LEU 67 HD21 LEU 67 3.907 18.497 6.858 563 HD22 LEU 67 HD22 LEU 67 4.505 20.065 6.321 564 HD23 LEU 67 HD23 LEU 67 2.800 19.654 6.111 565 H HIS 68 HN HIS 68 3.253 23.338 10.266 566 HA HIS 68 HA HIS 68 5.848 23.439 11.669 567 HB2 HIS 68 HB2 HIS 68 3.154 24.666 12.404 568 HB3 HIS 68 HB1 HIS 68 4.625 24.797 13.375 569 HD1 HIS 68 HD1 HIS 68 6.638 26.133 12.278 570 HD2 HIS 68 HD2 HIS 68 2.986 26.498 10.322 571 HE1 HIS 68 HE1 HIS 68 6.885 28.096 10.746 572 HE2 HIS 68 HE2 HIS 68 4.699 28.255 9.519 573 H LEU 69 HN LEU 69 6.162 22.507 13.629 574 HA LEU 69 HA LEU 69 4.237 20.512 14.647 575 HB2 LEU 69 HB2 LEU 69 6.214 19.566 13.288 576 HB3 LEU 69 HB1 LEU 69 7.271 20.161 14.543 577 HG LEU 69 HG LEU 69 6.753 17.682 14.633 578 HD11 LEU 69 HD11 LEU 69 6.531 17.511 17.028 579 HD12 LEU 69 HD12 LEU 69 5.910 19.158 17.139 580 HD13 LEU 69 HD13 LEU 69 7.576 18.872 16.636 581 HD21 LEU 69 HD21 LEU 69 4.588 16.934 15.484 582 HD22 LEU 69 HD22 LEU 69 4.400 17.777 13.950 583 HD23 LEU 69 HD23 LEU 69 3.978 18.589 15.462 584 H VAL 70 HN VAL 70 3.893 20.741 16.772 585 HA VAL 70 HA VAL 70 5.552 22.656 18.315 586 HB VAL 70 HB VAL 70 2.587 22.016 18.660 587 HG11 VAL 70 HG11 VAL 70 2.588 23.880 20.302 588 HG12 VAL 70 HG12 VAL 70 4.334 24.043 20.119 589 HG13 VAL 70 HG13 VAL 70 3.653 22.568 20.805 590 HG21 VAL 70 HG21 VAL 70 3.928 24.506 17.512 591 HG22 VAL 70 HG22 VAL 70 2.201 24.322 17.804 592 HG23 VAL 70 HG23 VAL 70 2.998 23.310 16.604 593 H LEU 71 HN LEU 71 6.494 21.928 20.076 594 HA LEU 71 HA LEU 71 6.194 19.135 20.892 595 HB2 LEU 71 HB2 LEU 71 8.172 21.280 21.770 596 HB3 LEU 71 HB1 LEU 71 8.246 19.576 22.169 597 HG LEU 71 HG LEU 71 8.526 20.687 19.357 598 HD11 LEU 71 HD11 LEU 71 10.678 19.666 21.233 599 HD12 LEU 71 HD12 LEU 71 10.434 21.343 20.745 600 HD13 LEU 71 HD13 LEU 71 10.916 20.144 19.549 601 HD21 LEU 71 HD21 LEU 71 7.612 18.404 19.351 602 HD22 LEU 71 HD22 LEU 71 8.931 17.850 20.385 603 HD23 LEU 71 HD23 LEU 71 9.267 18.407 18.743 604 H ARG 72 HN ARG 72 5.668 18.493 22.981 605 HA ARG 72 HA ARG 72 4.752 20.540 24.936 606 HB2 ARG 72 HB2 ARG 72 3.695 17.707 24.504 607 HB3 ARG 72 HB1 ARG 72 3.244 18.733 25.866 608 HG2 ARG 72 HG2 ARG 72 2.214 20.356 24.330 609 HG3 ARG 72 HG1 ARG 72 2.712 19.380 22.945 610 HD2 ARG 72 HD2 ARG 72 0.358 18.991 23.437 611 HD3 ARG 72 HD1 ARG 72 1.283 17.519 23.754 612 HE ARG 72 HE ARG 72 0.696 19.314 26.001 613 HH11 ARG 72 HH11 ARG 72 0.025 16.227 24.431 614 HH12 ARG 72 HH12 ARG 72 -0.886 15.611 25.769 615 HH21 ARG 72 HH21 ARG 72 -0.528 18.488 27.717 616 HH22 ARG 72 HH22 ARG 72 -1.212 16.896 27.615 617 H LEU 73 HN LEU 73 5.847 17.130 24.801 618 HA LEU 73 HA LEU 73 7.224 15.848 26.077 619 HB2 LEU 73 HB2 LEU 73 8.721 18.487 25.980 620 HB3 LEU 73 HB1 LEU 73 9.410 17.107 26.808 621 HG LEU 73 HG LEU 73 10.347 17.375 24.536 622 HD11 LEU 73 HD11 LEU 73 10.095 15.078 23.742 623 HD12 LEU 73 HD12 LEU 73 8.696 14.856 24.797 624 HD13 LEU 73 HD13 LEU 73 10.292 15.141 25.492 625 HD21 LEU 73 HD21 LEU 73 9.051 17.020 22.509 626 HD22 LEU 73 HD22 LEU 73 8.365 18.362 23.421 627 HD23 LEU 73 HD23 LEU 73 7.574 16.788 23.450 628 H ARG 74 HN ARG 74 5.043 16.595 27.504 629 HA ARG 74 HA ARG 74 5.435 18.224 29.779 630 HB2 ARG 74 HB2 ARG 74 3.273 16.173 29.158 631 HB3 ARG 74 HB1 ARG 74 3.201 17.289 30.516 632 HG2 ARG 74 HG2 ARG 74 3.264 18.092 27.587 633 HG3 ARG 74 HG1 ARG 74 1.825 18.032 28.603 634 HD2 ARG 74 HD2 ARG 74 2.443 20.323 28.535 635 HD3 ARG 74 HD1 ARG 74 2.987 19.755 30.113 636 HE ARG 74 HE ARG 74 5.050 19.595 28.131 637 HH11 ARG 74 HH11 ARG 74 3.484 21.849 30.315 638 HH12 ARG 74 HH12 ARG 74 4.821 22.953 30.325 639 HH21 ARG 74 HH21 ARG 74 6.792 21.082 28.108 640 HH22 ARG 74 HH22 ARG 74 6.691 22.518 29.080 641 H GLY 75 HN GLY 75 5.140 14.677 29.576 642 HA2 GLY 75 HA2 GLY 75 6.336 14.307 32.231 643 HA3 GLY 75 HA1 GLY 75 5.698 13.051 31.175 644 H GLY 76 HN GLY 76 7.327 14.433 28.927 645 HA2 GLY 76 HA2 GLY 76 9.871 14.501 28.753 646 HA3 GLY 76 HA1 GLY 76 9.804 12.869 29.407 647 H1 GLY 195 HN GLY 195 21.657 17.611 27.272 648 HA2 GLY 195 HA2 GLY 195 20.489 18.264 29.124 649 HA3 GLY 195 HA1 GLY 195 19.141 18.626 28.060 650 H SER 196 HN SER 196 17.668 17.884 29.633 651 HA SER 196 HA SER 196 16.931 15.124 29.412 652 HB2 SER 196 HB2 SER 196 18.607 14.861 31.214 653 HB3 SER 196 HB1 SER 196 17.826 16.127 32.162 654 HG SER 196 HG SER 196 16.212 14.782 32.654 655 H ARG 197 HN ARG 197 16.548 18.185 31.182 656 HA ARG 197 HA ARG 197 13.667 18.204 30.677 657 HB2 ARG 197 HB2 ARG 197 14.011 17.026 32.888 658 HB3 ARG 197 HB1 ARG 197 14.775 18.482 33.505 659 HG2 ARG 197 HG2 ARG 197 12.472 18.350 34.279 660 HG3 ARG 197 HG1 ARG 197 12.655 19.726 33.187 661 HD2 ARG 197 HD2 ARG 197 11.642 18.447 31.359 662 HD3 ARG 197 HD1 ARG 197 11.541 17.013 32.389 663 HE ARG 197 HE ARG 197 10.176 19.100 33.668 664 HH11 ARG 197 HH11 ARG 197 9.819 17.150 30.770 665 HH12 ARG 197 HH12 ARG 197 8.093 17.231 30.783 666 HH21 ARG 197 HH21 ARG 197 7.901 19.189 33.675 667 HH22 ARG 197 HH22 ARG 197 7.005 18.367 32.434 668 H GLN 198 HN GLN 198 13.433 20.117 29.708 669 HA GLN 198 HA GLN 198 14.485 22.595 30.934 670 HB2 GLN 198 HB2 GLN 198 14.588 21.896 27.955 671 HB3 GLN 198 HB1 GLN 198 14.967 23.478 28.626 672 HG2 GLN 198 HG2 GLN 198 16.912 22.540 29.796 673 HG3 GLN 198 HG1 GLN 198 16.519 20.930 29.190 674 HE21 GLN 198 HE21 GLN 198 18.949 22.588 28.778 675 HE22 GLN 198 HE22 GLN 198 19.127 22.716 27.066 676 H VAL 199 HN VAL 199 13.151 24.471 30.487 677 HA VAL 199 HA VAL 199 10.530 23.944 29.222 678 HB VAL 199 HB VAL 199 10.299 24.995 31.402 679 HG11 VAL 199 HG11 VAL 199 11.134 27.240 31.963 680 HG12 VAL 199 HG12 VAL 199 12.020 27.308 30.436 681 HG13 VAL 199 HG13 VAL 199 12.456 26.113 31.660 682 HG21 VAL 199 HG21 VAL 199 8.656 25.593 29.683 683 HG22 VAL 199 HG22 VAL 199 9.636 26.972 29.178 684 HG23 VAL 199 HG23 VAL 199 8.904 26.945 30.784 685 H THR 200 HN THR 200 10.595 24.205 27.126 686 HA THR 200 HA THR 200 12.719 25.552 25.752 687 HB THR 200 HB THR 200 10.193 24.306 24.569 688 HG1 THR 200 HG1 THR 200 10.966 22.436 25.154 689 HG21 THR 200 HG21 THR 200 12.982 24.653 23.390 690 HG22 THR 200 HG22 THR 200 11.558 25.603 22.957 691 HG23 THR 200 HG23 THR 200 11.606 23.878 22.599 692 H LYS 201 HN LYS 201 12.664 27.451 24.606 693 HA LYS 201 HA LYS 201 10.262 29.175 24.709 694 HB2 LYS 201 HB2 LYS 201 13.092 29.954 23.840 695 HB3 LYS 201 HB1 LYS 201 11.734 31.036 24.110 696 HG2 LYS 201 HG2 LYS 201 13.061 31.347 26.011 697 HG3 LYS 201 HG1 LYS 201 11.816 30.228 26.570 698 HD2 LYS 201 HD2 LYS 201 13.381 28.335 26.301 699 HD3 LYS 201 HD1 LYS 201 14.615 29.426 25.672 700 HE2 LYS 201 HE2 LYS 201 15.093 28.891 27.995 701 HE3 LYS 201 HE1 LYS 201 14.659 30.595 27.863 702 HZ1 LYS 201 HZ1 LYS 201 13.630 29.506 29.758 703 HZ2 LYS 201 HZ2 LYS 201 12.826 28.429 28.729 704 HZ3 LYS 201 HZ3 LYS 201 12.469 30.083 28.673 705 H VAL 202 HN VAL 202 9.146 29.482 22.867 706 HA VAL 202 HA VAL 202 10.138 28.513 20.280 707 HB VAL 202 HB VAL 202 7.948 27.121 20.073 708 HG11 VAL 202 HG11 VAL 202 10.117 25.988 20.255 709 HG12 VAL 202 HG12 VAL 202 8.891 25.110 21.171 710 HG13 VAL 202 HG13 VAL 202 10.065 26.120 22.016 711 HG21 VAL 202 HG21 VAL 202 8.008 27.368 23.111 712 HG22 VAL 202 HG22 VAL 202 6.950 26.301 22.183 713 HG23 VAL 202 HG23 VAL 202 6.781 28.049 22.036 714 H ASP 203 HN ASP 203 7.974 28.610 18.738 715 HA ASP 203 HA ASP 203 6.811 31.328 19.070 716 HB2 ASP 203 HB2 ASP 203 7.755 29.934 16.519 717 HB3 ASP 203 HB1 ASP 203 6.770 31.397 16.515 718 H CYS 204 HN CYS 204 4.669 31.622 18.437 719 HA CYS 204 HA CYS 204 2.947 29.258 18.391 720 HB2 CYS 204 HB2 CYS 204 2.434 31.174 19.922 721 HB3 CYS 204 HB1 CYS 204 2.228 32.215 18.534 722 HA PRO 205 HA PRO 205 3.521 29.490 13.810 723 HB2 PRO 205 HB2 PRO 205 1.271 27.467 14.037 724 HB3 PRO 205 HB1 PRO 205 2.722 27.421 13.022 725 HG2 PRO 205 HG2 PRO 205 2.639 25.976 15.241 726 HG3 PRO 205 HG1 PRO 205 4.122 26.868 14.828 727 HD2 PRO 205 HD2 PRO 205 2.019 27.534 16.863 728 HD3 PRO 205 HD1 PRO 205 3.773 27.744 16.958 729 H VAL 206 HN VAL 206 0.482 29.872 15.493 730 HA VAL 206 HA VAL 206 -1.062 30.545 13.149 731 HB VAL 206 HB VAL 206 -1.958 30.942 16.033 732 HG11 VAL 206 HG11 VAL 206 -3.410 31.900 14.304 733 HG12 VAL 206 HG12 VAL 206 -4.202 30.532 15.079 734 HG13 VAL 206 HG13 VAL 206 -3.497 30.344 13.473 735 HG21 VAL 206 HG21 VAL 206 -2.071 28.320 14.476 736 HG22 VAL 206 HG22 VAL 206 -2.822 28.622 16.045 737 HG23 VAL 206 HG23 VAL 206 -1.065 28.645 15.889 738 H CYS 207 HN CYS 207 -0.356 32.419 16.178 739 HA CYS 207 HA CYS 207 -0.975 34.903 14.720 740 HB2 CYS 207 HB2 CYS 207 -1.337 35.972 16.843 741 HB3 CYS 207 HB1 CYS 207 -2.168 34.423 16.880 742 H GLY 208 HN GLY 208 1.744 33.160 15.358 743 HA2 GLY 208 HA2 GLY 208 3.956 33.568 14.962 744 HA3 GLY 208 HA1 GLY 208 3.453 35.089 14.250 745 H VAL 209 HN VAL 209 3.320 33.933 17.649 746 HA VAL 209 HA VAL 209 5.018 36.237 18.460 747 HB VAL 209 HB VAL 209 3.799 36.360 20.593 748 HG11 VAL 209 HG11 VAL 209 1.633 37.230 19.792 749 HG12 VAL 209 HG12 VAL 209 1.866 36.418 18.242 750 HG13 VAL 209 HG13 VAL 209 2.949 37.724 18.726 751 HG21 VAL 209 HG21 VAL 209 2.012 34.119 19.548 752 HG22 VAL 209 HG22 VAL 209 1.741 35.043 21.027 753 HG23 VAL 209 HG23 VAL 209 3.155 34.000 20.891 754 H ASN 210 HN ASN 210 6.738 35.827 19.822 755 HA ASN 210 HA ASN 210 7.499 33.031 20.221 756 HB2 ASN 210 HB2 ASN 210 9.157 34.698 19.323 757 HB3 ASN 210 HB1 ASN 210 9.115 35.540 20.871 758 HD21 ASN 210 HD21 ASN 210 10.015 32.539 19.272 759 HD22 ASN 210 HD22 ASN 210 11.124 32.007 20.483 760 H ILE 211 HN ILE 211 7.120 32.001 22.048 761 HA ILE 211 HA ILE 211 6.725 33.293 24.651 762 HB ILE 211 HB ILE 211 4.502 31.979 24.873 763 HG12 ILE 211 HG12 ILE 211 4.805 31.861 21.835 764 HG13 ILE 211 HG11 ILE 211 4.733 30.490 22.937 765 HG21 ILE 211 HG21 ILE 211 3.118 33.748 23.882 766 HG22 ILE 211 HG22 ILE 211 4.488 34.309 22.922 767 HG23 ILE 211 HG23 ILE 211 4.533 34.439 24.680 768 HD11 ILE 211 HD11 ILE 211 2.664 30.742 21.757 769 HD12 ILE 211 HD12 ILE 211 2.502 32.408 22.314 770 HD13 ILE 211 HD13 ILE 211 2.414 31.074 23.471 771 HA PRO 212 HA PRO 212 8.376 29.347 26.197 772 HB2 PRO 212 HB2 PRO 212 6.919 28.931 28.504 773 HB3 PRO 212 HB1 PRO 212 8.225 30.110 28.373 774 HG2 PRO 212 HG2 PRO 212 5.252 30.558 28.123 775 HG3 PRO 212 HG1 PRO 212 6.447 31.485 29.060 776 HD2 PRO 212 HD2 PRO 212 5.593 32.358 26.665 777 HD3 PRO 212 HD1 PRO 212 7.291 32.566 27.149 778 H GLU 213 HN GLU 213 7.779 27.086 26.705 779 HA GLU 213 HA GLU 213 6.245 26.073 24.573 780 HB2 GLU 213 HB2 GLU 213 8.335 25.072 25.496 781 HB3 GLU 213 HB1 GLU 213 7.445 24.567 26.924 782 HG2 GLU 213 HG2 GLU 213 6.039 23.092 25.514 783 HG3 GLU 213 HG1 GLU 213 6.940 23.607 24.090 784 H SER 214 HN SER 214 5.497 26.115 28.083 785 HA SER 214 HA SER 214 3.134 24.527 27.934 786 HB2 SER 214 HB2 SER 214 3.753 26.714 29.971 787 HB3 SER 214 HB1 SER 214 2.657 25.346 30.182 788 HG SER 214 HG SER 214 5.376 25.464 30.445 789 H HIS 215 HN HIS 215 3.745 28.013 27.734 790 HA HIS 215 HA HIS 215 0.986 28.787 27.462 791 HB2 HIS 215 HB2 HIS 215 3.595 30.319 27.135 792 HB3 HIS 215 HB1 HIS 215 2.018 31.055 26.860 793 HD1 HIS 215 HD1 HIS 215 0.829 31.943 28.851 794 HD2 HIS 215 HD2 HIS 215 3.952 29.425 29.911 795 HE1 HIS 215 HE1 HIS 215 1.038 32.150 31.333 796 HE2 HIS 215 HE2 HIS 215 2.755 30.422 31.964 797 H ILE 216 HN ILE 216 3.408 27.652 25.239 798 HA ILE 216 HA ILE 216 2.341 28.943 22.926 799 HB ILE 216 HB ILE 216 4.746 27.871 23.165 800 HG12 ILE 216 HG12 ILE 216 3.764 29.040 21.104 801 HG13 ILE 216 HG11 ILE 216 5.065 27.902 20.793 802 HG21 ILE 216 HG21 ILE 216 3.292 25.450 22.035 803 HG22 ILE 216 HG22 ILE 216 4.122 25.540 23.578 804 HG23 ILE 216 HG23 ILE 216 5.043 25.666 22.090 805 HD11 ILE 216 HD11 ILE 216 2.123 27.416 20.347 806 HD12 ILE 216 HD12 ILE 216 3.402 26.231 20.074 807 HD13 ILE 216 HD13 ILE 216 3.352 27.708 19.122 808 H ASN 217 HN ASN 217 1.927 25.690 24.379 809 HA ASN 217 HA ASN 217 0.089 24.799 22.373 810 HB2 ASN 217 HB2 ASN 217 0.793 23.744 25.129 811 HB3 ASN 217 HB1 ASN 217 -0.481 23.000 24.161 812 HD21 ASN 217 HD21 ASN 217 2.961 23.588 24.386 813 HD22 ASN 217 HD22 ASN 217 3.424 22.449 23.169 814 H LYS 218 HN LYS 218 -0.396 26.363 25.540 815 HA LYS 218 HA LYS 218 -3.234 26.324 25.526 816 HB2 LYS 218 HB2 LYS 218 -2.114 26.920 27.574 817 HB3 LYS 218 HB1 LYS 218 -1.244 28.240 26.807 818 HG2 LYS 218 HG2 LYS 218 -3.044 29.075 28.273 819 HG3 LYS 218 HG1 LYS 218 -3.314 29.541 26.595 820 HD2 LYS 218 HD2 LYS 218 -5.452 28.878 27.460 821 HD3 LYS 218 HD1 LYS 218 -4.933 27.568 26.403 822 HE2 LYS 218 HE2 LYS 218 -5.923 26.650 28.438 823 HE3 LYS 218 HE1 LYS 218 -4.195 26.286 28.422 824 HZ1 LYS 218 HZ1 LYS 218 -5.029 27.082 30.584 825 HZ2 LYS 218 HZ2 LYS 218 -5.408 28.570 29.877 826 HZ3 LYS 218 HZ3 LYS 218 -3.800 28.056 29.954 827 H HIS 219 HN HIS 219 -0.893 28.659 24.193 828 HA HIS 219 HA HIS 219 -2.670 30.605 23.239 829 HB2 HIS 219 HB2 HIS 219 0.162 30.109 23.006 830 HB3 HIS 219 HB1 HIS 219 -0.425 30.384 21.379 831 HD2 HIS 219 HD2 HIS 219 -0.391 32.281 24.832 832 HE1 HIS 219 HE1 HIS 219 -0.582 35.069 21.667 833 HE2 HIS 219 HE2 HIS 219 -0.597 34.768 24.176 834 H LEU 220 HN LEU 220 -1.434 27.643 21.745 835 HA LEU 220 HA LEU 220 -2.503 27.949 19.165 836 HB2 LEU 220 HB2 LEU 220 -1.996 25.391 20.719 837 HB3 LEU 220 HB1 LEU 220 -2.309 25.470 18.984 838 HG LEU 220 HG LEU 220 0.062 26.679 20.406 839 HD11 LEU 220 HD11 LEU 220 -0.096 24.218 18.689 840 HD12 LEU 220 HD12 LEU 220 0.190 24.280 20.430 841 HD13 LEU 220 HD13 LEU 220 1.379 24.953 19.317 842 HD21 LEU 220 HD21 LEU 220 -0.494 26.566 17.434 843 HD22 LEU 220 HD22 LEU 220 0.961 27.183 18.213 844 HD23 LEU 220 HD23 LEU 220 -0.569 28.010 18.446 845 H ASP 221 HN ASP 221 -3.781 26.445 22.096 846 HA ASP 221 HA ASP 221 -5.985 25.164 20.922 847 HB2 ASP 221 HB2 ASP 221 -4.915 24.819 23.276 848 HB3 ASP 221 HB1 ASP 221 -5.965 26.130 23.806 849 H SER 222 HN SER 222 -5.534 28.438 22.125 850 HA SER 222 HA SER 222 -8.320 29.221 21.686 851 HB2 SER 222 HB2 SER 222 -6.998 30.215 23.548 852 HB3 SER 222 HB1 SER 222 -5.882 30.923 22.380 853 HG SER 222 HG SER 222 -8.586 31.497 22.003 854 H CYS 223 HN CYS 223 -5.216 29.461 20.016 855 HA CYS 223 HA CYS 223 -6.028 31.535 18.183 856 HB2 CYS 223 HB2 CYS 223 -3.465 29.917 18.445 857 HB3 CYS 223 HB1 CYS 223 -3.709 31.128 17.197 858 H LEU 224 HN LEU 224 -6.174 28.057 18.156 859 HA LEU 224 HA LEU 224 -6.021 27.758 15.266 860 HB2 LEU 224 HB2 LEU 224 -6.381 25.342 15.642 861 HB3 LEU 224 HB1 LEU 224 -5.070 25.973 16.611 862 HG LEU 224 HG LEU 224 -6.778 26.008 18.581 863 HD11 LEU 224 HD11 LEU 224 -8.858 25.630 17.368 864 HD12 LEU 224 HD12 LEU 224 -8.571 24.324 18.514 865 HD13 LEU 224 HD13 LEU 224 -8.271 24.068 16.792 866 HD21 LEU 224 HD21 LEU 224 -5.813 23.342 17.503 867 HD22 LEU 224 HD22 LEU 224 -6.262 23.688 19.175 868 HD23 LEU 224 HD23 LEU 224 -4.861 24.481 18.461 869 H SER 225 HN SER 225 -8.346 28.803 17.393 870 HA SER 225 HA SER 225 -10.754 27.880 16.250 871 HB2 SER 225 HB2 SER 225 -10.651 29.027 18.458 872 HB3 SER 225 HB1 SER 225 -10.184 30.526 17.659 873 HG SER 225 HG SER 225 -12.548 29.207 16.905 874 H ARG 226 HN ARG 226 -10.377 27.866 14.041 875 HA ARG 226 HA ARG 226 -9.632 30.134 12.469 876 HB2 ARG 226 HB2 ARG 226 -10.359 28.621 10.528 877 HB3 ARG 226 HB1 ARG 226 -9.063 28.012 11.547 878 HG2 ARG 226 HG2 ARG 226 -10.285 26.222 12.288 879 HG3 ARG 226 HG1 ARG 226 -11.780 27.143 12.390 880 HD2 ARG 226 HD2 ARG 226 -10.610 26.193 9.764 881 HD3 ARG 226 HD1 ARG 226 -11.767 25.246 10.709 882 HE ARG 226 HE ARG 226 -12.472 27.996 9.885 883 HH11 ARG 226 HH11 ARG 226 -13.066 24.547 9.576 884 HH12 ARG 226 HH12 ARG 226 -14.604 24.761 8.806 885 HH21 ARG 226 HH21 ARG 226 -14.508 28.254 8.901 886 HH22 ARG 226 HH22 ARG 226 -15.420 26.853 8.425 887 H GLU 227 HN GLU 227 -10.936 31.150 10.851 888 HA GLU 227 HA GLU 227 -13.579 31.919 11.559 889 HB2 GLU 227 HB2 GLU 227 -12.001 32.292 8.970 890 HB3 GLU 227 HB1 GLU 227 -13.542 33.074 9.305 891 HG2 GLU 227 HG2 GLU 227 -11.037 33.455 10.973 892 HG3 GLU 227 HG1 GLU 227 -11.526 34.528 9.663 Start of MODEL 17 1 H1 GLY -2 HT1 GLY -2 0.415 0.472 3.563 2 H2 GLY -2 HT2 GLY -2 0.858 1.847 2.688 3 H3 GLY -2 HT3 GLY -2 1.677 1.447 4.106 4 HA2 GLY -2 HA1 GLY -2 2.531 -0.549 3.109 5 HA3 GLY -2 HA2 GLY -2 1.672 -0.153 1.630 6 H SER -1 HN SER -1 2.256 1.855 0.531 7 HA SER -1 HA SER -1 5.085 1.985 0.150 8 HB2 SER -1 HB2 SER -1 4.419 3.745 -1.586 9 HB3 SER -1 HB1 SER -1 3.677 2.156 -1.779 10 HG SER -1 HG SER -1 2.251 3.915 -0.191 11 H HIS 0 HN HIS 0 6.375 3.032 1.533 12 HA HIS 0 HA HIS 0 5.446 5.120 3.282 13 HB2 HIS 0 HB2 HIS 0 7.665 5.000 4.315 14 HB3 HIS 0 HB1 HIS 0 7.021 3.385 4.084 15 HD1 HIS 0 HD1 HIS 0 9.894 5.542 3.253 16 HD2 HIS 0 HD2 HIS 0 8.393 1.879 2.000 17 HE1 HIS 0 HE1 HIS 0 11.736 4.479 1.936 18 HE2 HIS 0 HE2 HIS 0 10.739 2.356 1.034 19 H MET 1 HN MET 1 4.891 6.869 1.957 20 HA MET 1 HA MET 1 6.845 8.245 0.292 21 HB2 MET 1 HB2 MET 1 4.232 9.430 1.344 22 HB3 MET 1 HB1 MET 1 5.141 9.923 -0.080 23 HG2 MET 1 HG2 MET 1 3.581 7.355 0.257 24 HG3 MET 1 HG1 MET 1 3.125 8.748 -0.726 25 HE1 MET 1 HE1 MET 1 3.095 5.821 -1.840 26 HE2 MET 1 HE2 MET 1 3.918 5.984 -3.389 27 HE3 MET 1 HE3 MET 1 2.750 7.204 -2.891 28 H GLN 2 HN GLN 2 7.570 10.482 0.855 29 HA GLN 2 HA GLN 2 8.036 10.746 3.754 30 HB2 GLN 2 HB2 GLN 2 9.799 11.585 1.441 31 HB3 GLN 2 HB1 GLN 2 10.068 12.132 3.091 32 HG2 GLN 2 HG2 GLN 2 11.497 10.351 3.066 33 HG3 GLN 2 HG1 GLN 2 10.050 9.524 3.617 34 HE21 GLN 2 HE21 GLN 2 12.369 8.438 2.312 35 HE22 GLN 2 HE22 GLN 2 11.828 7.682 0.860 36 H ILE 3 HN ILE 3 7.690 12.586 4.804 37 HA ILE 3 HA ILE 3 6.961 15.061 3.370 38 HB ILE 3 HB ILE 3 5.191 15.588 5.104 39 HG12 ILE 3 HG12 ILE 3 5.938 13.793 6.787 40 HG13 ILE 3 HG11 ILE 3 4.205 13.928 6.545 41 HG21 ILE 3 HG21 ILE 3 4.513 14.940 2.862 42 HG22 ILE 3 HG22 ILE 3 3.371 14.301 4.044 43 HG23 ILE 3 HG23 ILE 3 4.561 13.231 3.303 44 HD11 ILE 3 HD11 ILE 3 4.906 11.609 6.722 45 HD12 ILE 3 HD12 ILE 3 5.987 11.806 5.344 46 HD13 ILE 3 HD13 ILE 3 4.240 11.933 5.123 47 H PHE 4 HN PHE 4 7.108 16.970 4.805 48 HA PHE 4 HA PHE 4 9.428 16.686 6.637 49 HB2 PHE 4 HB2 PHE 4 8.586 19.089 4.945 50 HB3 PHE 4 HB1 PHE 4 9.991 19.023 6.003 51 HD1 PHE 4 HD2 PHE 4 11.921 17.521 5.417 52 HD2 PHE 4 HD1 PHE 4 8.678 18.168 2.702 53 HE1 PHE 4 HE2 PHE 4 13.302 16.696 3.563 54 HE2 PHE 4 HE1 PHE 4 10.071 17.333 0.852 55 HZ PHE 4 HZ PHE 4 12.381 16.599 1.279 56 H VAL 5 HN VAL 5 8.588 16.643 8.643 57 HA VAL 5 HA VAL 5 6.599 18.627 9.513 58 HB VAL 5 HB VAL 5 7.646 16.014 10.652 59 HG11 VAL 5 HG11 VAL 5 6.303 18.131 12.370 60 HG12 VAL 5 HG12 VAL 5 7.957 17.535 12.531 61 HG13 VAL 5 HG13 VAL 5 6.602 16.455 12.845 62 HG21 VAL 5 HG21 VAL 5 5.575 16.013 9.308 63 HG22 VAL 5 HG22 VAL 5 4.826 17.176 10.403 64 HG23 VAL 5 HG23 VAL 5 5.226 15.552 10.974 65 H LYS 6 HN LYS 6 7.365 20.487 10.210 66 HA LYS 6 HA LYS 6 10.198 20.803 10.949 67 HB2 LYS 6 HB2 LYS 6 9.089 22.126 8.995 68 HB3 LYS 6 HB1 LYS 6 8.203 23.007 10.238 69 HG2 LYS 6 HG2 LYS 6 10.045 24.392 9.772 70 HG3 LYS 6 HG1 LYS 6 10.514 23.548 11.255 71 HD2 LYS 6 HD2 LYS 6 11.803 21.908 9.860 72 HD3 LYS 6 HD1 LYS 6 11.410 22.864 8.427 73 HE2 LYS 6 HE2 LYS 6 12.576 24.810 9.493 74 HE3 LYS 6 HE1 LYS 6 13.043 23.743 10.816 75 HZ1 LYS 6 HZ1 LYS 6 14.825 23.953 9.244 76 HZ2 LYS 6 HZ2 LYS 6 13.831 23.437 7.978 77 HZ3 LYS 6 HZ3 LYS 6 14.235 22.372 9.223 78 H THR 7 HN THR 7 10.460 20.761 13.175 79 HA THR 7 HA THR 7 8.440 21.519 15.048 80 HB THR 7 HB THR 7 10.383 21.560 16.735 81 HG1 THR 7 HG1 THR 7 12.366 20.811 16.014 82 HG21 THR 7 HG21 THR 7 9.047 19.555 16.530 83 HG22 THR 7 HG22 THR 7 10.745 19.090 16.670 84 HG23 THR 7 HG23 THR 7 9.942 19.050 15.100 85 H LEU 8 HN LEU 8 8.521 23.311 16.510 86 HA LEU 8 HA LEU 8 8.874 25.872 15.426 87 HB2 LEU 8 HB2 LEU 8 8.780 24.990 18.334 88 HB3 LEU 8 HB1 LEU 8 8.620 26.658 17.797 89 HG LEU 8 HG LEU 8 6.692 24.412 17.100 90 HD11 LEU 8 HD11 LEU 8 5.120 25.527 18.626 91 HD12 LEU 8 HD12 LEU 8 6.374 26.681 19.086 92 HD13 LEU 8 HD13 LEU 8 6.563 24.969 19.470 93 HD21 LEU 8 HD21 LEU 8 6.518 27.389 16.523 94 HD22 LEU 8 HD22 LEU 8 5.247 26.205 16.204 95 HD23 LEU 8 HD23 LEU 8 6.775 26.109 15.331 96 H THR 9 HN THR 9 11.162 23.759 16.938 97 HA THR 9 HA THR 9 13.054 25.771 17.770 98 HB THR 9 HB THR 9 14.476 23.799 18.355 99 HG1 THR 9 HG1 THR 9 14.072 21.912 17.473 100 HG21 THR 9 HG21 THR 9 11.572 23.500 19.229 101 HG22 THR 9 HG22 THR 9 12.770 24.550 19.992 102 HG23 THR 9 HG23 THR 9 12.967 22.798 20.048 103 H GLY 10 HN GLY 10 12.227 24.740 14.750 104 HA2 GLY 10 HA2 GLY 10 13.139 25.464 12.749 105 HA3 GLY 10 HA1 GLY 10 14.650 25.838 13.571 106 H LYS 11 HN LYS 11 13.463 22.732 14.271 107 HA LYS 11 HA LYS 11 15.473 21.451 12.553 108 HB2 LYS 11 HB2 LYS 11 15.892 20.562 14.619 109 HB3 LYS 11 HB1 LYS 11 14.273 20.882 15.222 110 HG2 LYS 11 HG2 LYS 11 13.437 18.870 14.145 111 HG3 LYS 11 HG1 LYS 11 15.023 18.555 13.423 112 HD2 LYS 11 HD2 LYS 11 15.996 18.214 15.653 113 HD3 LYS 11 HD1 LYS 11 14.464 18.649 16.417 114 HE2 LYS 11 HE2 LYS 11 14.847 16.195 16.361 115 HE3 LYS 11 HE1 LYS 11 13.386 16.679 15.499 116 HZ1 LYS 11 HZ1 LYS 11 15.997 16.049 14.227 117 HZ2 LYS 11 HZ2 LYS 11 14.577 16.475 13.416 118 HZ3 LYS 11 HZ3 LYS 11 14.652 15.027 14.277 119 H THR 12 HN THR 12 14.960 19.714 11.188 120 HA THR 12 HA THR 12 12.118 19.511 10.343 121 HB THR 12 HB THR 12 14.622 18.914 8.694 122 HG1 THR 12 HG1 THR 12 13.875 20.812 7.546 123 HG21 THR 12 HG21 THR 12 12.689 17.530 7.965 124 HG22 THR 12 HG22 THR 12 13.049 18.773 6.765 125 HG23 THR 12 HG23 THR 12 11.683 18.975 7.867 126 H ILE 13 HN ILE 13 11.188 17.560 10.179 127 HA ILE 13 HA ILE 13 12.648 15.085 10.955 128 HB ILE 13 HB ILE 13 9.813 15.870 11.819 129 HG12 ILE 13 HG12 ILE 13 11.012 15.453 14.186 130 HG13 ILE 13 HG11 ILE 13 12.467 15.830 13.283 131 HG21 ILE 13 HG21 ILE 13 9.786 13.747 13.085 132 HG22 ILE 13 HG22 ILE 13 11.363 13.320 12.412 133 HG23 ILE 13 HG23 ILE 13 9.962 13.467 11.354 134 HD11 ILE 13 HD11 ILE 13 11.612 17.771 14.434 135 HD12 ILE 13 HD12 ILE 13 10.070 17.629 13.590 136 HD13 ILE 13 HD13 ILE 13 11.542 18.011 12.690 137 H THR 14 HN THR 14 12.651 13.778 9.232 138 HA THR 14 HA THR 14 10.617 13.982 7.130 139 HB THR 14 HB THR 14 13.174 12.310 7.231 140 HG1 THR 14 HG1 THR 14 13.468 14.623 7.272 141 HG21 THR 14 HG21 THR 14 12.917 12.117 4.776 142 HG22 THR 14 HG22 THR 14 11.404 13.020 4.850 143 HG23 THR 14 HG23 THR 14 11.521 11.420 5.592 144 H LEU 15 HN LEU 15 8.857 12.689 7.298 145 HA LEU 15 HA LEU 15 9.006 10.160 8.854 146 HB2 LEU 15 HB2 LEU 15 6.463 11.569 7.935 147 HB3 LEU 15 HB1 LEU 15 6.575 10.202 9.021 148 HG LEU 15 HG LEU 15 6.083 12.038 10.411 149 HD11 LEU 15 HD11 LEU 15 7.986 12.299 11.876 150 HD12 LEU 15 HD12 LEU 15 9.085 11.734 10.614 151 HD13 LEU 15 HD13 LEU 15 7.888 10.638 11.301 152 HD21 LEU 15 HD21 LEU 15 8.242 13.634 9.007 153 HD22 LEU 15 HD22 LEU 15 7.263 14.184 10.369 154 HD23 LEU 15 HD23 LEU 15 6.497 13.837 8.822 155 H GLU 16 HN GLU 16 7.880 8.324 7.993 156 HA GLU 16 HA GLU 16 7.806 8.221 5.038 157 HB2 GLU 16 HB2 GLU 16 8.959 6.120 6.924 158 HB3 GLU 16 HB1 GLU 16 8.805 5.951 5.176 159 HG2 GLU 16 HG2 GLU 16 10.363 7.851 4.856 160 HG3 GLU 16 HG1 GLU 16 10.518 8.008 6.605 161 H VAL 17 HN VAL 17 5.579 8.565 5.199 162 HA VAL 17 HA VAL 17 3.936 6.180 5.775 163 HB VAL 17 HB VAL 17 2.177 7.402 6.907 164 HG11 VAL 17 HG11 VAL 17 3.183 8.221 8.993 165 HG12 VAL 17 HG12 VAL 17 4.766 8.309 8.217 166 HG13 VAL 17 HG13 VAL 17 3.983 6.744 8.446 167 HG21 VAL 17 HG21 VAL 17 2.236 9.482 5.616 168 HG22 VAL 17 HG22 VAL 17 3.724 9.972 6.428 169 HG23 VAL 17 HG23 VAL 17 2.226 9.837 7.344 170 H GLU 18 HN GLU 18 1.576 6.813 4.814 171 HA GLU 18 HA GLU 18 2.027 7.898 2.103 172 HB2 GLU 18 HB2 GLU 18 -0.571 6.597 3.013 173 HB3 GLU 18 HB1 GLU 18 0.143 6.650 1.401 174 HG2 GLU 18 HG2 GLU 18 1.946 5.127 2.187 175 HG3 GLU 18 HG1 GLU 18 1.145 5.045 3.744 176 HA PRO 19 HA PRO 19 -0.329 11.673 3.054 177 HB2 PRO 19 HB2 PRO 19 -1.650 12.072 0.637 178 HB3 PRO 19 HB1 PRO 19 0.034 12.527 0.932 179 HG2 PRO 19 HG2 PRO 19 -1.047 10.035 -0.373 180 HG3 PRO 19 HG1 PRO 19 0.298 11.074 -0.888 181 HD2 PRO 19 HD2 PRO 19 0.768 8.756 0.386 182 HD3 PRO 19 HD1 PRO 19 1.768 10.185 0.720 183 H SER 20 HN SER 20 -1.867 8.762 1.743 184 HA SER 20 HA SER 20 -4.519 9.576 2.809 185 HB2 SER 20 HB2 SER 20 -4.370 8.923 0.376 186 HB3 SER 20 HB1 SER 20 -3.852 7.313 0.866 187 HG SER 20 HG SER 20 -5.874 7.085 1.933 188 H ASP 21 HN ASP 21 -2.042 8.438 4.256 189 HA ASP 21 HA ASP 21 -2.871 5.826 5.209 190 HB2 ASP 21 HB2 ASP 21 -0.455 6.552 4.907 191 HB3 ASP 21 HB1 ASP 21 -0.652 7.610 6.293 192 H THR 22 HN THR 22 -1.781 8.354 7.484 193 HA THR 22 HA THR 22 -4.162 9.428 8.378 194 HB THR 22 HB THR 22 -4.902 7.254 9.224 195 HG1 THR 22 HG1 THR 22 -5.616 8.176 10.979 196 HG21 THR 22 HG21 THR 22 -2.699 6.137 9.489 197 HG22 THR 22 HG22 THR 22 -3.692 5.977 10.938 198 HG23 THR 22 HG23 THR 22 -2.372 7.146 10.905 199 H ILE 23 HN ILE 23 -3.864 10.913 10.069 200 HA ILE 23 HA ILE 23 -1.273 12.021 10.367 201 HB ILE 23 HB ILE 23 -3.848 12.629 11.883 202 HG12 ILE 23 HG12 ILE 23 -4.006 13.089 9.447 203 HG13 ILE 23 HG11 ILE 23 -4.095 14.573 10.380 204 HG21 ILE 23 HG21 ILE 23 -2.834 14.793 12.558 205 HG22 ILE 23 HG22 ILE 23 -1.295 14.284 11.858 206 HG23 ILE 23 HG23 ILE 23 -1.970 13.414 13.235 207 HD11 ILE 23 HD11 ILE 23 -1.676 13.561 8.885 208 HD12 ILE 23 HD12 ILE 23 -1.758 15.061 9.815 209 HD13 ILE 23 HD13 ILE 23 -2.758 14.858 8.378 210 H GLU 24 HN GLU 24 -3.262 9.907 12.413 211 HA GLU 24 HA GLU 24 -1.833 10.162 14.847 212 HB2 GLU 24 HB2 GLU 24 -4.116 9.138 14.626 213 HB3 GLU 24 HB1 GLU 24 -3.383 7.721 13.885 214 HG2 GLU 24 HG2 GLU 24 -2.114 7.282 15.963 215 HG3 GLU 24 HG1 GLU 24 -2.826 8.712 16.706 216 H ASN 25 HN ASN 25 -1.286 8.223 11.987 217 HA ASN 25 HA ASN 25 0.799 6.585 13.116 218 HB2 ASN 25 HB2 ASN 25 -0.601 6.036 11.054 219 HB3 ASN 25 HB1 ASN 25 0.371 7.190 10.165 220 HD21 ASN 25 HD21 ASN 25 0.446 4.153 11.900 221 HD22 ASN 25 HD22 ASN 25 1.926 3.575 11.225 222 H VAL 26 HN VAL 26 0.619 9.531 11.158 223 HA VAL 26 HA VAL 26 3.334 9.968 10.614 224 HB VAL 26 HB VAL 26 1.266 12.160 11.189 225 HG11 VAL 26 HG11 VAL 26 3.858 12.338 9.591 226 HG12 VAL 26 HG12 VAL 26 3.559 13.065 11.169 227 HG13 VAL 26 HG13 VAL 26 2.664 13.630 9.759 228 HG21 VAL 26 HG21 VAL 26 0.836 12.213 8.767 229 HG22 VAL 26 HG22 VAL 26 0.459 10.631 9.442 230 HG23 VAL 26 HG23 VAL 26 1.947 10.863 8.529 231 H LYS 27 HN LYS 27 1.400 10.978 13.434 232 HA LYS 27 HA LYS 27 3.497 12.418 14.726 233 HB2 LYS 27 HB2 LYS 27 1.963 12.691 16.579 234 HB3 LYS 27 HB1 LYS 27 1.118 12.959 15.064 235 HG2 LYS 27 HG2 LYS 27 0.102 10.715 15.251 236 HG3 LYS 27 HG1 LYS 27 0.937 10.472 16.786 237 HD2 LYS 27 HD2 LYS 27 -1.356 11.151 17.234 238 HD3 LYS 27 HD1 LYS 27 -0.266 12.444 17.733 239 HE2 LYS 27 HE2 LYS 27 -0.757 13.589 15.529 240 HE3 LYS 27 HE1 LYS 27 -1.976 12.350 15.229 241 HZ1 LYS 27 HZ1 LYS 27 -2.999 14.300 16.172 242 HZ2 LYS 27 HZ2 LYS 27 -1.955 14.270 17.499 243 HZ3 LYS 27 HZ3 LYS 27 -3.090 13.036 17.293 244 H ALA 28 HN ALA 28 2.321 9.083 14.916 245 HA ALA 28 HA ALA 28 3.967 8.190 17.049 246 HB1 ALA 28 HB1 ALA 28 2.976 6.647 14.615 247 HB2 ALA 28 HB2 ALA 28 2.104 6.856 16.135 248 HB3 ALA 28 HB3 ALA 28 3.609 5.937 16.103 249 H LYS 29 HN LYS 29 4.593 8.737 13.603 250 HA LYS 29 HA LYS 29 7.217 7.606 13.634 251 HB2 LYS 29 HB2 LYS 29 6.004 9.462 11.557 252 HB3 LYS 29 HB1 LYS 29 7.485 8.527 11.365 253 HG2 LYS 29 HG2 LYS 29 4.653 7.496 11.578 254 HG3 LYS 29 HG1 LYS 29 5.749 7.375 10.200 255 HD2 LYS 29 HD2 LYS 29 7.147 5.780 11.365 256 HD3 LYS 29 HD1 LYS 29 6.280 6.038 12.881 257 HE2 LYS 29 HE2 LYS 29 4.231 5.109 11.838 258 HE3 LYS 29 HE1 LYS 29 5.161 4.779 10.375 259 HZ1 LYS 29 HZ1 LYS 29 6.572 3.290 11.620 260 HZ2 LYS 29 HZ2 LYS 29 4.960 2.825 11.828 261 HZ3 LYS 29 HZ3 LYS 29 5.765 3.661 13.057 262 H ILE 30 HN ILE 30 6.019 10.952 14.210 263 HA ILE 30 HA ILE 30 8.522 12.207 14.406 264 HB ILE 30 HB ILE 30 5.890 12.687 15.841 265 HG12 ILE 30 HG12 ILE 30 6.287 15.044 14.754 266 HG13 ILE 30 HG11 ILE 30 7.571 14.255 13.851 267 HG21 ILE 30 HG21 ILE 30 8.445 14.169 16.545 268 HG22 ILE 30 HG22 ILE 30 7.485 13.154 17.620 269 HG23 ILE 30 HG23 ILE 30 6.823 14.675 17.023 270 HD11 ILE 30 HD11 ILE 30 5.922 12.737 12.864 271 HD12 ILE 30 HD12 ILE 30 5.572 14.434 12.535 272 HD13 ILE 30 HD13 ILE 30 4.646 13.566 13.759 273 H GLN 31 HN GLN 31 6.717 10.299 16.797 274 HA GLN 31 HA GLN 31 8.671 10.321 18.863 275 HB2 GLN 31 HB2 GLN 31 6.221 9.774 19.109 276 HB3 GLN 31 HB1 GLN 31 6.521 8.222 18.334 277 HG2 GLN 31 HG2 GLN 31 8.053 7.621 20.188 278 HG3 GLN 31 HG1 GLN 31 7.724 9.171 20.950 279 HE21 GLN 31 HE21 GLN 31 5.212 7.236 19.356 280 HE22 GLN 31 HE22 GLN 31 4.339 6.890 20.806 281 H ASP 32 HN ASP 32 8.417 8.488 15.932 282 HA ASP 32 HA ASP 32 10.341 6.428 16.615 283 HB2 ASP 32 HB2 ASP 32 8.605 5.899 15.012 284 HB3 ASP 32 HB1 ASP 32 9.015 7.286 14.019 285 H LYS 33 HN LYS 33 10.451 9.620 15.082 286 HA LYS 33 HA LYS 33 13.131 9.140 13.950 287 HB2 LYS 33 HB2 LYS 33 11.257 11.511 13.617 288 HB3 LYS 33 HB1 LYS 33 12.815 11.351 12.817 289 HG2 LYS 33 HG2 LYS 33 10.448 9.502 12.418 290 HG3 LYS 33 HG1 LYS 33 10.891 10.830 11.346 291 HD2 LYS 33 HD2 LYS 33 13.014 9.718 10.812 292 HD3 LYS 33 HD1 LYS 33 12.629 8.400 11.930 293 HE2 LYS 33 HE2 LYS 33 10.594 7.894 10.534 294 HE3 LYS 33 HE1 LYS 33 11.129 9.121 9.389 295 HZ1 LYS 33 HZ1 LYS 33 11.791 6.911 8.674 296 HZ2 LYS 33 HZ2 LYS 33 12.650 6.676 10.110 297 HZ3 LYS 33 HZ3 LYS 33 13.146 7.858 9.014 298 H GLU 34 HN GLU 34 11.587 11.838 15.800 299 HA GLU 34 HA GLU 34 14.214 12.576 16.872 300 HB2 GLU 34 HB2 GLU 34 13.187 14.632 17.647 301 HB3 GLU 34 HB1 GLU 34 12.865 14.384 15.938 302 HG2 GLU 34 HG2 GLU 34 10.567 13.685 16.460 303 HG3 GLU 34 HG1 GLU 34 10.883 13.892 18.183 304 H GLY 35 HN GLY 35 11.200 11.136 17.915 305 HA2 GLY 35 HA2 GLY 35 11.205 9.496 19.617 306 HA3 GLY 35 HA1 GLY 35 12.556 10.302 20.396 307 H ILE 36 HN ILE 36 9.975 12.353 19.375 308 HA ILE 36 HA ILE 36 9.328 12.874 22.201 309 HB ILE 36 HB ILE 36 8.975 14.553 19.682 310 HG12 ILE 36 HG12 ILE 36 10.083 16.322 21.152 311 HG13 ILE 36 HG11 ILE 36 10.228 15.122 22.427 312 HG21 ILE 36 HG21 ILE 36 6.789 14.717 20.787 313 HG22 ILE 36 HG22 ILE 36 7.662 16.235 20.990 314 HG23 ILE 36 HG23 ILE 36 7.561 15.088 22.333 315 HD11 ILE 36 HD11 ILE 36 11.585 15.055 19.745 316 HD12 ILE 36 HD12 ILE 36 11.725 13.808 20.987 317 HD13 ILE 36 HD13 ILE 36 12.323 15.439 21.297 318 HA PRO 37 HA PRO 37 5.714 10.303 21.777 319 HB2 PRO 37 HB2 PRO 37 4.345 11.039 24.056 320 HB3 PRO 37 HB1 PRO 37 5.774 9.999 24.082 321 HG2 PRO 37 HG2 PRO 37 5.583 12.967 24.580 322 HG3 PRO 37 HG1 PRO 37 6.465 11.734 25.504 323 HD2 PRO 37 HD2 PRO 37 7.724 13.326 23.719 324 HD3 PRO 37 HD1 PRO 37 8.216 11.639 23.944 325 HA PRO 38 HA PRO 38 2.755 12.588 19.448 326 HB2 PRO 38 HB2 PRO 38 0.413 11.167 19.806 327 HB3 PRO 38 HB1 PRO 38 1.766 10.597 18.817 328 HG2 PRO 38 HG2 PRO 38 1.108 9.916 21.689 329 HG3 PRO 38 HG1 PRO 38 1.542 8.824 20.352 330 HD2 PRO 38 HD2 PRO 38 3.378 9.559 22.166 331 HD3 PRO 38 HD1 PRO 38 3.817 9.406 20.450 332 H ASP 39 HN ASP 39 2.175 12.249 22.839 333 HA ASP 39 HA ASP 39 0.026 14.156 23.070 334 HB2 ASP 39 HB2 ASP 39 0.458 12.398 24.784 335 HB3 ASP 39 HB1 ASP 39 2.002 13.150 25.177 336 H GLN 40 HN GLN 40 3.560 14.273 23.297 337 HA GLN 40 HA GLN 40 3.673 16.999 24.301 338 HB2 GLN 40 HB2 GLN 40 5.621 14.770 23.848 339 HB3 GLN 40 HB1 GLN 40 6.287 16.388 23.790 340 HG2 GLN 40 HG2 GLN 40 6.371 15.143 26.031 341 HG3 GLN 40 HG1 GLN 40 5.817 16.811 26.040 342 HE21 GLN 40 HE21 GLN 40 4.814 13.497 26.349 343 HE22 GLN 40 HE22 GLN 40 3.278 13.819 27.068 344 H GLN 41 HN GLN 41 3.894 15.454 21.228 345 HA GLN 41 HA GLN 41 4.664 18.012 19.959 346 HB2 GLN 41 HB2 GLN 41 4.989 16.630 17.902 347 HB3 GLN 41 HB1 GLN 41 6.020 16.167 19.242 348 HG2 GLN 41 HG2 GLN 41 5.418 14.077 18.544 349 HG3 GLN 41 HG1 GLN 41 4.109 14.371 19.671 350 HE21 GLN 41 HE21 GLN 41 2.038 14.635 18.886 351 HE22 GLN 41 HE22 GLN 41 1.609 14.369 17.239 352 H ARG 42 HN ARG 42 3.304 18.978 18.409 353 HA ARG 42 HA ARG 42 0.518 18.014 18.247 354 HB2 ARG 42 HB2 ARG 42 0.948 19.895 19.953 355 HB3 ARG 42 HB1 ARG 42 1.315 20.940 18.585 356 HG2 ARG 42 HG2 ARG 42 -0.940 20.770 17.752 357 HG3 ARG 42 HG1 ARG 42 -1.330 19.493 18.910 358 HD2 ARG 42 HD2 ARG 42 -0.883 21.140 20.756 359 HD3 ARG 42 HD1 ARG 42 -0.742 22.398 19.524 360 HE ARG 42 HE ARG 42 -3.140 21.249 18.982 361 HH11 ARG 42 HH11 ARG 42 -1.842 22.756 21.878 362 HH12 ARG 42 HH12 ARG 42 -3.406 23.197 22.484 363 HH21 ARG 42 HH21 ARG 42 -5.172 21.793 19.805 364 HH22 ARG 42 HH22 ARG 42 -5.297 22.630 21.319 365 H LEU 43 HN LEU 43 -0.310 18.066 16.233 366 HA LEU 43 HA LEU 43 1.478 18.826 14.032 367 HB2 LEU 43 HB2 LEU 43 -0.892 16.957 14.293 368 HB3 LEU 43 HB1 LEU 43 -0.472 17.568 12.707 369 HG LEU 43 HG LEU 43 0.490 15.360 13.000 370 HD11 LEU 43 HD11 LEU 43 1.738 17.005 11.667 371 HD12 LEU 43 HD12 LEU 43 2.816 15.837 12.433 372 HD13 LEU 43 HD13 LEU 43 2.669 17.472 13.092 373 HD21 LEU 43 HD21 LEU 43 1.951 16.469 15.421 374 HD22 LEU 43 HD22 LEU 43 2.168 14.864 14.719 375 HD23 LEU 43 HD23 LEU 43 0.625 15.302 15.446 376 H ILE 44 HN ILE 44 1.140 20.582 12.854 377 HA ILE 44 HA ILE 44 -1.522 21.768 12.560 378 HB ILE 44 HB ILE 44 0.911 23.248 13.670 379 HG12 ILE 44 HG12 ILE 44 -1.943 23.017 14.768 380 HG13 ILE 44 HG11 ILE 44 -0.584 22.041 15.304 381 HG21 ILE 44 HG21 ILE 44 -0.044 24.695 11.935 382 HG22 ILE 44 HG22 ILE 44 -0.390 25.369 13.524 383 HG23 ILE 44 HG23 ILE 44 -1.658 24.524 12.632 384 HD11 ILE 44 HD11 ILE 44 0.524 24.030 16.133 385 HD12 ILE 44 HD12 ILE 44 -1.064 23.785 16.859 386 HD13 ILE 44 HD13 ILE 44 -0.850 25.012 15.608 387 H PHE 45 HN PHE 45 -1.861 22.346 10.482 388 HA PHE 45 HA PHE 45 0.419 23.122 8.754 389 HB2 PHE 45 HB2 PHE 45 -0.314 20.851 8.129 390 HB3 PHE 45 HB1 PHE 45 -1.979 21.395 7.995 391 HD1 PHE 45 HD1 PHE 45 1.420 21.855 6.500 392 HD2 PHE 45 HD2 PHE 45 -2.803 22.201 5.895 393 HE1 PHE 45 HE1 PHE 45 1.797 22.274 4.107 394 HE2 PHE 45 HE2 PHE 45 -2.414 22.615 3.504 395 HZ PHE 45 HZ PHE 45 -0.122 22.652 2.605 396 H ALA 46 HN ALA 46 0.152 25.136 8.050 397 HA ALA 46 HA ALA 46 -0.676 27.102 7.321 398 HB1 ALA 46 HB1 ALA 46 -2.818 27.155 6.094 399 HB2 ALA 46 HB2 ALA 46 -3.222 25.551 6.715 400 HB3 ALA 46 HB3 ALA 46 -1.849 25.756 5.629 401 H GLY 47 HN GLY 47 -1.188 26.106 10.185 402 HA2 GLY 47 HA2 GLY 47 -1.632 27.596 11.982 403 HA3 GLY 47 HA1 GLY 47 -2.832 28.421 11.004 404 H LYS 48 HN LYS 48 -3.654 25.378 10.361 405 HA LYS 48 HA LYS 48 -5.577 25.179 12.607 406 HB2 LYS 48 HB2 LYS 48 -7.016 23.940 11.142 407 HB3 LYS 48 HB1 LYS 48 -6.399 25.274 10.181 408 HG2 LYS 48 HG2 LYS 48 -4.592 23.457 9.427 409 HG3 LYS 48 HG1 LYS 48 -5.835 22.326 9.944 410 HD2 LYS 48 HD2 LYS 48 -6.032 22.698 7.561 411 HD3 LYS 48 HD1 LYS 48 -7.438 23.405 8.365 412 HE2 LYS 48 HE2 LYS 48 -6.435 25.647 8.165 413 HE3 LYS 48 HE1 LYS 48 -4.993 24.950 7.421 414 HZ1 LYS 48 HZ1 LYS 48 -6.478 25.865 5.760 415 HZ2 LYS 48 HZ2 LYS 48 -7.742 24.882 6.298 416 HZ3 LYS 48 HZ3 LYS 48 -6.382 24.186 5.582 417 H GLN 49 HN GLN 49 -5.657 23.329 13.893 418 HA GLN 49 HA GLN 49 -3.346 21.614 13.961 419 HB2 GLN 49 HB2 GLN 49 -4.411 22.264 16.059 420 HB3 GLN 49 HB1 GLN 49 -5.943 21.552 15.566 421 HG2 GLN 49 HG2 GLN 49 -4.978 19.307 15.670 422 HG3 GLN 49 HG1 GLN 49 -3.386 19.978 16.019 423 HE21 GLN 49 HE21 GLN 49 -3.277 18.743 17.916 424 HE22 GLN 49 HE22 GLN 49 -4.179 19.153 19.333 425 H LEU 50 HN LEU 50 -3.183 19.475 13.363 426 HA LEU 50 HA LEU 50 -5.149 18.433 11.490 427 HB2 LEU 50 HB2 LEU 50 -2.558 17.099 12.328 428 HB3 LEU 50 HB1 LEU 50 -3.494 16.826 10.866 429 HG LEU 50 HG LEU 50 -1.762 19.233 11.526 430 HD11 LEU 50 HD11 LEU 50 -0.510 18.568 9.537 431 HD12 LEU 50 HD12 LEU 50 -1.560 17.162 9.346 432 HD13 LEU 50 HD13 LEU 50 -0.529 17.310 10.772 433 HD21 LEU 50 HD21 LEU 50 -2.393 20.203 9.368 434 HD22 LEU 50 HD22 LEU 50 -3.793 20.070 10.420 435 HD23 LEU 50 HD23 LEU 50 -3.565 18.915 9.106 436 H GLU 51 HN GLU 51 -6.494 16.736 11.923 437 HA GLU 51 HA GLU 51 -6.735 15.750 14.640 438 HB2 GLU 51 HB2 GLU 51 -8.765 16.395 13.395 439 HB3 GLU 51 HB1 GLU 51 -8.378 15.237 12.129 440 HG2 GLU 51 HG2 GLU 51 -8.555 13.421 13.923 441 HG3 GLU 51 HG1 GLU 51 -9.264 14.650 14.970 442 H ASP 52 HN ASP 52 -6.262 13.712 15.270 443 HA ASP 52 HA ASP 52 -4.327 12.167 13.923 444 HB2 ASP 52 HB2 ASP 52 -4.653 10.536 15.764 445 HB3 ASP 52 HB1 ASP 52 -4.508 12.182 16.359 446 H GLY 53 HN GLY 53 -7.834 11.915 14.047 447 HA2 GLY 53 HA2 GLY 53 -8.094 9.302 12.920 448 HA3 GLY 53 HA1 GLY 53 -9.364 10.500 13.089 449 H ARG 54 HN ARG 54 -7.858 12.537 11.561 450 HA ARG 54 HA ARG 54 -8.688 11.793 8.886 451 HB2 ARG 54 HB2 ARG 54 -7.440 14.325 10.021 452 HB3 ARG 54 HB1 ARG 54 -7.913 14.158 8.327 453 HG2 ARG 54 HG2 ARG 54 -10.262 13.687 9.126 454 HG3 ARG 54 HG1 ARG 54 -9.732 14.041 10.760 455 HD2 ARG 54 HD2 ARG 54 -9.164 16.312 10.124 456 HD3 ARG 54 HD1 ARG 54 -9.593 16.009 8.438 457 HE ARG 54 HE ARG 54 -11.641 15.639 10.525 458 HH11 ARG 54 HH11 ARG 54 -10.496 17.518 7.778 459 HH12 ARG 54 HH12 ARG 54 -11.946 18.469 7.682 460 HH21 ARG 54 HH21 ARG 54 -13.528 16.869 10.367 461 HH22 ARG 54 HH22 ARG 54 -13.666 18.094 9.147 462 H THR 55 HN THR 55 -7.128 12.668 7.086 463 HA THR 55 HA THR 55 -4.506 11.307 7.408 464 HB THR 55 HB THR 55 -4.564 10.999 4.925 465 HG1 THR 55 HG1 THR 55 -6.814 11.300 4.027 466 HG21 THR 55 HG21 THR 55 -6.996 9.846 6.326 467 HG22 THR 55 HG22 THR 55 -5.365 9.167 6.347 468 HG23 THR 55 HG23 THR 55 -6.278 9.236 4.837 469 H LEU 56 HN LEU 56 -2.788 12.187 5.987 470 HA LEU 56 HA LEU 56 -2.270 14.930 6.229 471 HB2 LEU 56 HB2 LEU 56 -1.195 12.881 4.241 472 HB3 LEU 56 HB1 LEU 56 -0.552 14.506 4.369 473 HG LEU 56 HG LEU 56 -0.493 12.478 6.644 474 HD11 LEU 56 HD11 LEU 56 1.730 13.231 4.707 475 HD12 LEU 56 HD12 LEU 56 0.888 11.682 4.778 476 HD13 LEU 56 HD13 LEU 56 1.899 12.190 6.126 477 HD21 LEU 56 HD21 LEU 56 0.948 15.147 6.335 478 HD22 LEU 56 HD22 LEU 56 1.121 14.020 7.685 479 HD23 LEU 56 HD23 LEU 56 -0.417 14.826 7.405 480 H SER 57 HN SER 57 -3.508 13.037 3.512 481 HA SER 57 HA SER 57 -3.724 15.028 1.554 482 HB2 SER 57 HB2 SER 57 -3.710 12.589 1.074 483 HB3 SER 57 HB1 SER 57 -5.296 12.426 1.826 484 HG SER 57 HG SER 57 -5.116 14.336 -0.182 485 H ASP 58 HN ASP 58 -5.848 14.134 4.218 486 HA ASP 58 HA ASP 58 -8.246 15.343 3.237 487 HB2 ASP 58 HB2 ASP 58 -8.141 13.653 5.130 488 HB3 ASP 58 HB1 ASP 58 -7.471 14.914 6.162 489 H TYR 59 HN TYR 59 -5.507 16.464 5.183 490 HA TYR 59 HA TYR 59 -6.576 19.185 5.375 491 HB2 TYR 59 HB2 TYR 59 -4.199 17.766 6.595 492 HB3 TYR 59 HB1 TYR 59 -4.325 19.518 6.653 493 HD1 TYR 59 HD2 TYR 59 -6.355 20.565 7.766 494 HD2 TYR 59 HD1 TYR 59 -5.426 16.413 8.173 495 HE1 TYR 59 HE2 TYR 59 -7.787 20.446 9.750 496 HE2 TYR 59 HE1 TYR 59 -6.863 16.299 10.155 497 HH TYR 59 HH TYR 59 -7.715 18.053 11.950 498 H ASN 60 HN ASN 60 -5.517 17.789 2.815 499 HA ASN 60 HA ASN 60 -4.648 18.439 0.833 500 HB2 ASN 60 HB2 ASN 60 -4.447 21.194 2.121 501 HB3 ASN 60 HB1 ASN 60 -4.279 20.870 0.396 502 HD21 ASN 60 HD21 ASN 60 -6.517 20.971 3.091 503 HD22 ASN 60 HD22 ASN 60 -7.958 20.986 2.138 504 H ILE 61 HN ILE 61 -2.917 17.498 3.014 505 HA ILE 61 HA ILE 61 -0.257 18.573 2.332 506 HB ILE 61 HB ILE 61 -0.962 16.422 4.380 507 HG12 ILE 61 HG12 ILE 61 -0.441 19.315 5.161 508 HG13 ILE 61 HG11 ILE 61 -2.058 18.770 4.738 509 HG21 ILE 61 HG21 ILE 61 1.536 18.142 4.137 510 HG22 ILE 61 HG22 ILE 61 1.410 16.429 3.735 511 HG23 ILE 61 HG23 ILE 61 1.224 16.956 5.407 512 HD11 ILE 61 HD11 ILE 61 -1.639 18.786 7.156 513 HD12 ILE 61 HD12 ILE 61 -0.391 17.559 6.935 514 HD13 ILE 61 HD13 ILE 61 -2.079 17.190 6.542 515 H GLN 62 HN GLN 62 0.721 17.562 0.666 516 HA GLN 62 HA GLN 62 0.192 14.695 0.103 517 HB2 GLN 62 HB2 GLN 62 1.031 15.139 -2.164 518 HB3 GLN 62 HB1 GLN 62 -0.302 16.222 -1.783 519 HG2 GLN 62 HG2 GLN 62 1.230 18.076 -1.426 520 HG3 GLN 62 HG1 GLN 62 2.624 17.013 -1.597 521 HE21 GLN 62 HE21 GLN 62 3.148 16.222 -3.668 522 HE22 GLN 62 HE22 GLN 62 2.581 17.002 -5.104 523 H LYS 63 HN LYS 63 2.317 13.809 -1.117 524 HA LYS 63 HA LYS 63 4.436 13.541 0.663 525 HB2 LYS 63 HB2 LYS 63 5.727 12.622 -1.244 526 HB3 LYS 63 HB1 LYS 63 4.094 11.969 -1.197 527 HG2 LYS 63 HG2 LYS 63 3.421 13.508 -3.007 528 HG3 LYS 63 HG1 LYS 63 5.050 14.183 -3.051 529 HD2 LYS 63 HD2 LYS 63 4.314 11.296 -3.675 530 HD3 LYS 63 HD1 LYS 63 4.654 12.544 -4.874 531 HE2 LYS 63 HE2 LYS 63 6.956 12.741 -4.017 532 HE3 LYS 63 HE1 LYS 63 6.625 11.493 -2.813 533 HZ1 LYS 63 HZ1 LYS 63 6.226 9.925 -4.600 534 HZ2 LYS 63 HZ2 LYS 63 7.767 10.605 -4.748 535 HZ3 LYS 63 HZ3 LYS 63 6.516 11.125 -5.756 536 H GLU 64 HN GLU 64 6.272 14.630 1.029 537 HA GLU 64 HA GLU 64 7.955 16.084 1.025 538 HB2 GLU 64 HB2 GLU 64 7.126 16.778 -1.816 539 HB3 GLU 64 HB1 GLU 64 8.644 17.250 -1.058 540 HG2 GLU 64 HG2 GLU 64 7.774 14.394 -1.651 541 HG3 GLU 64 HG1 GLU 64 8.912 15.340 -2.609 542 H SER 65 HN SER 65 4.855 16.950 1.334 543 HA SER 65 HA SER 65 5.093 19.831 1.258 544 HB2 SER 65 HB2 SER 65 3.011 18.035 2.566 545 HB3 SER 65 HB1 SER 65 2.879 19.789 2.432 546 HG SER 65 HG SER 65 3.400 18.450 0.068 547 H THR 66 HN THR 66 5.613 21.207 2.896 548 HA THR 66 HA THR 66 6.637 20.105 5.418 549 HB THR 66 HB THR 66 6.853 22.941 4.314 550 HG1 THR 66 HG1 THR 66 7.986 20.990 3.274 551 HG21 THR 66 HG21 THR 66 8.323 21.613 6.631 552 HG22 THR 66 HG22 THR 66 7.100 22.877 6.783 553 HG23 THR 66 HG23 THR 66 8.642 23.231 6.003 554 H LEU 67 HN LEU 67 5.568 20.309 7.253 555 HA LEU 67 HA LEU 67 3.426 22.304 7.634 556 HB2 LEU 67 HB2 LEU 67 2.163 20.611 8.974 557 HB3 LEU 67 HB1 LEU 67 2.232 20.234 7.267 558 HG LEU 67 HG LEU 67 4.143 18.897 9.220 559 HD11 LEU 67 HD11 LEU 67 1.868 18.506 10.083 560 HD12 LEU 67 HD12 LEU 67 2.595 17.026 9.461 561 HD13 LEU 67 HD13 LEU 67 1.376 17.876 8.506 562 HD21 LEU 67 HD21 LEU 67 4.656 18.636 6.811 563 HD22 LEU 67 HD22 LEU 67 3.046 17.968 6.534 564 HD23 LEU 67 HD23 LEU 67 4.204 17.098 7.543 565 H HIS 68 HN HIS 68 3.051 22.759 9.962 566 HA HIS 68 HA HIS 68 5.618 22.952 11.363 567 HB2 HIS 68 HB2 HIS 68 2.921 24.267 11.931 568 HB3 HIS 68 HB1 HIS 68 4.364 24.502 12.925 569 HD1 HIS 68 HD1 HIS 68 6.493 25.513 11.540 570 HD2 HIS 68 HD2 HIS 68 2.749 26.046 9.829 571 HE1 HIS 68 HE1 HIS 68 6.773 27.370 9.890 572 HE2 HIS 68 HE2 HIS 68 4.552 27.530 8.726 573 H LEU 69 HN LEU 69 5.913 22.407 13.526 574 HA LEU 69 HA LEU 69 4.089 20.459 14.784 575 HB2 LEU 69 HB2 LEU 69 6.038 19.381 13.498 576 HB3 LEU 69 HB1 LEU 69 7.122 20.148 14.630 577 HG LEU 69 HG LEU 69 6.747 17.719 15.076 578 HD11 LEU 69 HD11 LEU 69 6.487 17.798 17.460 579 HD12 LEU 69 HD12 LEU 69 5.738 19.393 17.373 580 HD13 LEU 69 HD13 LEU 69 7.431 19.185 16.926 581 HD21 LEU 69 HD21 LEU 69 3.887 18.484 15.717 582 HD22 LEU 69 HD22 LEU 69 4.623 16.904 15.987 583 HD23 LEU 69 HD23 LEU 69 4.433 17.513 14.346 584 H VAL 70 HN VAL 70 3.800 20.921 16.846 585 HA VAL 70 HA VAL 70 5.447 22.992 18.154 586 HB VAL 70 HB VAL 70 2.536 22.210 18.600 587 HG11 VAL 70 HG11 VAL 70 4.196 24.285 20.087 588 HG12 VAL 70 HG12 VAL 70 3.557 22.783 20.754 589 HG13 VAL 70 HG13 VAL 70 2.454 24.060 20.256 590 HG21 VAL 70 HG21 VAL 70 2.054 24.498 17.757 591 HG22 VAL 70 HG22 VAL 70 2.905 23.537 16.555 592 HG23 VAL 70 HG23 VAL 70 3.777 24.764 17.477 593 H LEU 71 HN LEU 71 6.842 22.119 19.470 594 HA LEU 71 HA LEU 71 6.494 19.620 20.874 595 HB2 LEU 71 HB2 LEU 71 8.618 21.802 21.016 596 HB3 LEU 71 HB1 LEU 71 8.703 20.289 21.898 597 HG LEU 71 HG LEU 71 8.701 20.534 18.864 598 HD11 LEU 71 HD11 LEU 71 10.794 21.372 19.804 599 HD12 LEU 71 HD12 LEU 71 11.065 19.835 18.986 600 HD13 LEU 71 HD13 LEU 71 10.991 19.894 20.750 601 HD21 LEU 71 HD21 LEU 71 9.066 18.065 20.604 602 HD22 LEU 71 HD22 LEU 71 9.241 18.124 18.848 603 HD23 LEU 71 HD23 LEU 71 7.669 18.425 19.583 604 H ARG 72 HN ARG 72 6.379 19.403 23.168 605 HA ARG 72 HA ARG 72 5.424 21.745 24.746 606 HB2 ARG 72 HB2 ARG 72 4.274 18.916 24.815 607 HB3 ARG 72 HB1 ARG 72 3.805 20.228 25.890 608 HG2 ARG 72 HG2 ARG 72 2.825 21.472 24.044 609 HG3 ARG 72 HG1 ARG 72 3.434 20.289 22.880 610 HD2 ARG 72 HD2 ARG 72 1.059 19.918 23.290 611 HD3 ARG 72 HD1 ARG 72 1.996 18.550 23.897 612 HE ARG 72 HE ARG 72 1.007 20.715 25.665 613 HH11 ARG 72 HH11 ARG 72 1.441 17.275 25.074 614 HH12 ARG 72 HH12 ARG 72 0.582 16.802 26.501 615 HH21 ARG 72 HH21 ARG 72 -0.137 20.066 27.512 616 HH22 ARG 72 HH22 ARG 72 -0.346 18.374 27.853 617 H LEU 73 HN LEU 73 6.834 18.509 24.743 618 HA LEU 73 HA LEU 73 8.186 17.331 26.103 619 HB2 LEU 73 HB2 LEU 73 9.323 20.125 26.270 620 HB3 LEU 73 HB1 LEU 73 10.056 18.856 27.231 621 HG LEU 73 HG LEU 73 11.310 19.186 25.148 622 HD11 LEU 73 HD11 LEU 73 9.856 16.527 25.115 623 HD12 LEU 73 HD12 LEU 73 11.263 16.937 26.099 624 HD13 LEU 73 HD13 LEU 73 11.406 16.888 24.346 625 HD21 LEU 73 HD21 LEU 73 9.519 20.025 23.699 626 HD22 LEU 73 HD22 LEU 73 8.780 18.423 23.654 627 HD23 LEU 73 HD23 LEU 73 10.375 18.684 22.942 628 H ARG 74 HN ARG 74 5.731 18.080 27.280 629 HA ARG 74 HA ARG 74 6.097 18.571 30.105 630 HB2 ARG 74 HB2 ARG 74 3.667 17.390 28.677 631 HB3 ARG 74 HB1 ARG 74 3.683 18.151 30.264 632 HG2 ARG 74 HG2 ARG 74 4.296 19.592 27.662 633 HG3 ARG 74 HG1 ARG 74 2.713 19.574 28.436 634 HD2 ARG 74 HD2 ARG 74 5.211 20.630 29.806 635 HD3 ARG 74 HD1 ARG 74 4.124 21.641 28.849 636 HE ARG 74 HE ARG 74 2.535 20.308 30.680 637 HH11 ARG 74 HH11 ARG 74 5.220 22.587 30.931 638 HH12 ARG 74 HH12 ARG 74 4.566 23.369 32.333 639 HH21 ARG 74 HH21 ARG 74 1.701 21.370 32.490 640 HH22 ARG 74 HH22 ARG 74 2.578 22.684 33.209 641 H GLY 75 HN GLY 75 7.700 17.001 30.562 642 HA2 GLY 75 HA2 GLY 75 7.240 14.614 31.714 643 HA3 GLY 75 HA1 GLY 75 7.306 14.168 30.011 644 H GLY 76 HN GLY 76 9.299 16.643 29.910 645 HA2 GLY 76 HA2 GLY 76 11.529 17.106 30.183 646 HA3 GLY 76 HA1 GLY 76 11.631 15.813 31.368 647 H1 GLY 195 HN GLY 195 15.498 16.312 23.170 648 HA2 GLY 195 HA2 GLY 195 14.464 18.249 23.746 649 HA3 GLY 195 HA1 GLY 195 13.489 17.297 24.858 650 H SER 196 HN SER 196 13.526 18.386 26.740 651 HA SER 196 HA SER 196 15.998 18.627 28.219 652 HB2 SER 196 HB2 SER 196 15.672 21.081 28.725 653 HB3 SER 196 HB1 SER 196 16.090 20.766 27.042 654 HG SER 196 HG SER 196 13.485 21.269 28.056 655 H ARG 197 HN ARG 197 15.670 18.914 30.443 656 HA ARG 197 HA ARG 197 13.143 18.169 31.587 657 HB2 ARG 197 HB2 ARG 197 15.858 18.926 32.726 658 HB3 ARG 197 HB1 ARG 197 14.472 18.754 33.796 659 HG2 ARG 197 HG2 ARG 197 15.461 16.562 31.937 660 HG3 ARG 197 HG1 ARG 197 15.906 16.697 33.642 661 HD2 ARG 197 HD2 ARG 197 13.610 16.389 34.331 662 HD3 ARG 197 HD1 ARG 197 13.040 16.483 32.663 663 HE ARG 197 HE ARG 197 14.886 14.319 33.116 664 HH11 ARG 197 HH11 ARG 197 11.514 15.264 33.387 665 HH12 ARG 197 HH12 ARG 197 10.916 13.649 33.190 666 HH21 ARG 197 HH21 ARG 197 14.076 12.188 32.890 667 HH22 ARG 197 HH22 ARG 197 12.363 11.915 32.937 668 H GLN 198 HN GLN 198 14.654 21.178 30.790 669 HA GLN 198 HA GLN 198 12.828 22.778 32.441 670 HB2 GLN 198 HB2 GLN 198 15.082 23.629 30.572 671 HB3 GLN 198 HB1 GLN 198 14.149 24.720 31.595 672 HG2 GLN 198 HG2 GLN 198 15.017 23.577 33.605 673 HG3 GLN 198 HG1 GLN 198 15.940 22.481 32.583 674 HE21 GLN 198 HE21 GLN 198 15.710 25.757 33.795 675 HE22 GLN 198 HE22 GLN 198 17.304 26.239 33.339 676 H VAL 199 HN VAL 199 11.762 24.663 31.341 677 HA VAL 199 HA VAL 199 10.162 23.824 29.089 678 HB VAL 199 HB VAL 199 9.196 25.125 30.996 679 HG11 VAL 199 HG11 VAL 199 10.801 27.500 29.976 680 HG12 VAL 199 HG12 VAL 199 11.071 26.636 31.489 681 HG13 VAL 199 HG13 VAL 199 9.580 27.545 31.254 682 HG21 VAL 199 HG21 VAL 199 8.003 25.139 28.849 683 HG22 VAL 199 HG22 VAL 199 8.922 26.546 28.312 684 HG23 VAL 199 HG23 VAL 199 7.799 26.690 29.666 685 H THR 200 HN THR 200 10.382 24.438 26.982 686 HA THR 200 HA THR 200 12.691 26.014 26.117 687 HB THR 200 HB THR 200 10.537 24.682 24.411 688 HG1 THR 200 HG1 THR 200 11.380 23.010 25.481 689 HG21 THR 200 HG21 THR 200 11.943 26.285 23.176 690 HG22 THR 200 HG22 THR 200 12.271 24.631 22.657 691 HG23 THR 200 HG23 THR 200 13.399 25.461 23.735 692 H LYS 201 HN LYS 201 12.445 27.961 24.770 693 HA LYS 201 HA LYS 201 9.773 29.254 24.891 694 HB2 LYS 201 HB2 LYS 201 12.562 30.466 24.671 695 HB3 LYS 201 HB1 LYS 201 11.110 31.396 24.326 696 HG2 LYS 201 HG2 LYS 201 11.791 31.905 26.573 697 HG3 LYS 201 HG1 LYS 201 10.311 30.953 26.662 698 HD2 LYS 201 HD2 LYS 201 11.769 28.914 27.108 699 HD3 LYS 201 HD1 LYS 201 13.149 30.006 27.220 700 HE2 LYS 201 HE2 LYS 201 10.683 30.099 28.988 701 HE3 LYS 201 HE1 LYS 201 12.233 29.391 29.438 702 HZ1 LYS 201 HZ1 LYS 201 11.731 32.242 28.802 703 HZ2 LYS 201 HZ2 LYS 201 13.241 31.587 29.183 704 HZ3 LYS 201 HZ3 LYS 201 12.005 31.594 30.339 705 H VAL 202 HN VAL 202 8.682 29.407 23.062 706 HA VAL 202 HA VAL 202 9.904 28.954 20.438 707 HB VAL 202 HB VAL 202 8.107 27.120 20.016 708 HG11 VAL 202 HG11 VAL 202 10.476 26.516 20.163 709 HG12 VAL 202 HG12 VAL 202 9.483 25.287 20.945 710 HG13 VAL 202 HG13 VAL 202 10.379 26.446 21.926 711 HG21 VAL 202 HG21 VAL 202 6.743 27.547 22.034 712 HG22 VAL 202 HG22 VAL 202 8.077 27.035 23.069 713 HG23 VAL 202 HG23 VAL 202 7.297 25.874 21.991 714 H ASP 203 HN ASP 203 8.203 29.049 18.703 715 HA ASP 203 HA ASP 203 6.603 31.466 19.197 716 HB2 ASP 203 HB2 ASP 203 7.771 30.254 16.659 717 HB3 ASP 203 HB1 ASP 203 6.616 31.585 16.627 718 H CYS 204 HN CYS 204 4.516 31.671 18.522 719 HA CYS 204 HA CYS 204 2.894 29.258 18.364 720 HB2 CYS 204 HB2 CYS 204 2.307 31.135 19.912 721 HB3 CYS 204 HB1 CYS 204 2.111 32.188 18.528 722 HA PRO 205 HA PRO 205 3.634 29.751 13.894 723 HB2 PRO 205 HB2 PRO 205 2.188 27.549 13.010 724 HB3 PRO 205 HB1 PRO 205 3.820 27.459 13.685 725 HG2 PRO 205 HG2 PRO 205 1.173 27.023 15.077 726 HG3 PRO 205 HG1 PRO 205 2.649 26.031 15.146 727 HD2 PRO 205 HD2 PRO 205 2.082 27.745 17.123 728 HD3 PRO 205 HD1 PRO 205 3.754 27.551 16.564 729 H VAL 206 HN VAL 206 0.567 30.011 15.383 730 HA VAL 206 HA VAL 206 -0.922 30.549 12.936 731 HB VAL 206 HB VAL 206 -1.928 30.816 15.807 732 HG11 VAL 206 HG11 VAL 206 -3.353 31.886 14.119 733 HG12 VAL 206 HG12 VAL 206 -4.157 30.473 14.798 734 HG13 VAL 206 HG13 VAL 206 -3.427 30.384 13.193 735 HG21 VAL 206 HG21 VAL 206 -1.026 28.538 15.512 736 HG22 VAL 206 HG22 VAL 206 -1.998 28.317 14.056 737 HG23 VAL 206 HG23 VAL 206 -2.787 28.494 15.626 738 H CYS 207 HN CYS 207 -0.051 32.378 15.936 739 HA CYS 207 HA CYS 207 -0.760 34.911 14.553 740 HB2 CYS 207 HB2 CYS 207 -1.304 35.894 16.665 741 HB3 CYS 207 HB1 CYS 207 -2.080 34.315 16.632 742 H GLY 208 HN GLY 208 1.935 33.189 15.335 743 HA2 GLY 208 HA2 GLY 208 4.158 33.631 15.077 744 HA3 GLY 208 HA1 GLY 208 3.674 35.162 14.378 745 H VAL 209 HN VAL 209 3.398 33.912 17.736 746 HA VAL 209 HA VAL 209 5.080 36.172 18.691 747 HB VAL 209 HB VAL 209 3.784 36.167 20.821 748 HG11 VAL 209 HG11 VAL 209 3.134 37.745 19.061 749 HG12 VAL 209 HG12 VAL 209 1.724 37.232 19.986 750 HG13 VAL 209 HG13 VAL 209 2.017 36.558 18.380 751 HG21 VAL 209 HG21 VAL 209 1.942 34.149 19.465 752 HG22 VAL 209 HG22 VAL 209 1.630 34.952 21.006 753 HG23 VAL 209 HG23 VAL 209 2.986 33.839 20.858 754 H ASN 210 HN ASN 210 6.853 35.648 19.906 755 HA ASN 210 HA ASN 210 7.384 32.848 20.528 756 HB2 ASN 210 HB2 ASN 210 9.224 34.270 19.630 757 HB3 ASN 210 HB1 ASN 210 9.156 35.277 21.075 758 HD21 ASN 210 HD21 ASN 210 9.929 32.070 19.859 759 HD22 ASN 210 HD22 ASN 210 10.904 31.581 21.199 760 H ILE 211 HN ILE 211 6.915 31.954 22.369 761 HA ILE 211 HA ILE 211 6.514 33.373 24.906 762 HB ILE 211 HB ILE 211 4.275 32.081 25.135 763 HG12 ILE 211 HG12 ILE 211 4.706 31.770 22.123 764 HG13 ILE 211 HG11 ILE 211 4.522 30.480 23.306 765 HG21 ILE 211 HG21 ILE 211 4.312 34.529 24.806 766 HG22 ILE 211 HG22 ILE 211 2.927 33.802 23.996 767 HG23 ILE 211 HG23 ILE 211 4.333 34.306 23.055 768 HD11 ILE 211 HD11 ILE 211 2.394 32.419 22.427 769 HD12 ILE 211 HD12 ILE 211 2.191 31.157 23.647 770 HD13 ILE 211 HD13 ILE 211 2.539 30.721 21.972 771 HA PRO 212 HA PRO 212 8.222 29.503 26.602 772 HB2 PRO 212 HB2 PRO 212 6.557 29.044 28.807 773 HB3 PRO 212 HB1 PRO 212 7.954 30.124 28.801 774 HG2 PRO 212 HG2 PRO 212 5.039 30.796 28.445 775 HG3 PRO 212 HG1 PRO 212 6.284 31.652 29.379 776 HD2 PRO 212 HD2 PRO 212 5.497 32.550 26.964 777 HD3 PRO 212 HD1 PRO 212 7.199 32.667 27.469 778 H GLU 213 HN GLU 213 7.788 27.258 26.772 779 HA GLU 213 HA GLU 213 6.260 26.332 24.600 780 HB2 GLU 213 HB2 GLU 213 8.483 25.500 25.427 781 HB3 GLU 213 HB1 GLU 213 7.656 24.720 26.761 782 HG2 GLU 213 HG2 GLU 213 6.546 23.198 25.258 783 HG3 GLU 213 HG1 GLU 213 7.147 24.083 23.854 784 H SER 214 HN SER 214 5.642 26.136 28.083 785 HA SER 214 HA SER 214 3.341 24.473 28.022 786 HB2 SER 214 HB2 SER 214 4.557 25.028 30.113 787 HB3 SER 214 HB1 SER 214 4.061 26.712 29.968 788 HG SER 214 HG SER 214 2.726 25.556 31.409 789 H HIS 215 HN HIS 215 3.793 27.985 27.722 790 HA HIS 215 HA HIS 215 0.993 28.633 27.534 791 HB2 HIS 215 HB2 HIS 215 2.791 30.135 28.508 792 HB3 HIS 215 HB1 HIS 215 3.384 30.413 26.877 793 HD1 HIS 215 HD1 HIS 215 0.441 31.111 29.111 794 HD2 HIS 215 HD2 HIS 215 1.913 32.295 25.411 795 HE1 HIS 215 HE1 HIS 215 -0.983 33.047 28.405 796 HE2 HIS 215 HE2 HIS 215 0.052 33.859 26.272 797 H ILE 216 HN ILE 216 3.436 27.625 25.251 798 HA ILE 216 HA ILE 216 2.294 28.880 22.948 799 HB ILE 216 HB ILE 216 4.751 27.915 23.183 800 HG12 ILE 216 HG12 ILE 216 3.778 29.064 21.130 801 HG13 ILE 216 HG11 ILE 216 5.052 27.908 20.783 802 HG21 ILE 216 HG21 ILE 216 5.124 25.717 22.118 803 HG22 ILE 216 HG22 ILE 216 3.382 25.440 22.069 804 HG23 ILE 216 HG23 ILE 216 4.211 25.573 23.612 805 HD11 ILE 216 HD11 ILE 216 2.091 27.491 20.380 806 HD12 ILE 216 HD12 ILE 216 3.332 26.272 20.094 807 HD13 ILE 216 HD13 ILE 216 3.315 27.744 19.138 808 H ASN 217 HN ASN 217 2.061 25.579 24.371 809 HA ASN 217 HA ASN 217 0.240 24.531 22.477 810 HB2 ASN 217 HB2 ASN 217 1.410 23.093 24.102 811 HB3 ASN 217 HB1 ASN 217 0.517 23.827 25.432 812 HD21 ASN 217 HD21 ASN 217 -1.662 23.206 25.763 813 HD22 ASN 217 HD22 ASN 217 -2.373 21.858 24.954 814 H LYS 218 HN LYS 218 -0.298 26.216 25.549 815 HA LYS 218 HA LYS 218 -3.086 26.260 25.689 816 HB2 LYS 218 HB2 LYS 218 -1.561 26.907 27.503 817 HB3 LYS 218 HB1 LYS 218 -1.008 28.302 26.584 818 HG2 LYS 218 HG2 LYS 218 -3.328 29.250 26.734 819 HG3 LYS 218 HG1 LYS 218 -3.769 27.893 27.777 820 HD2 LYS 218 HD2 LYS 218 -2.135 28.597 29.459 821 HD3 LYS 218 HD1 LYS 218 -1.535 29.877 28.398 822 HE2 LYS 218 HE2 LYS 218 -3.007 30.806 30.112 823 HE3 LYS 218 HE1 LYS 218 -3.739 30.991 28.517 824 HZ1 LYS 218 HZ1 LYS 218 -4.408 28.879 30.494 825 HZ2 LYS 218 HZ2 LYS 218 -5.122 29.060 28.974 826 HZ3 LYS 218 HZ3 LYS 218 -5.344 30.244 30.158 827 H HIS 219 HN HIS 219 -0.874 28.566 24.107 828 HA HIS 219 HA HIS 219 -2.766 30.490 23.313 829 HB2 HIS 219 HB2 HIS 219 0.046 30.239 23.073 830 HB3 HIS 219 HB1 HIS 219 -0.502 30.326 21.409 831 HD2 HIS 219 HD2 HIS 219 -1.091 32.424 24.693 832 HE1 HIS 219 HE1 HIS 219 -0.761 35.057 21.426 833 HE2 HIS 219 HE2 HIS 219 -1.241 34.860 23.887 834 H LEU 220 HN LEU 220 -1.615 27.536 21.793 835 HA LEU 220 HA LEU 220 -2.706 27.910 19.229 836 HB2 LEU 220 HB2 LEU 220 -2.132 25.354 20.736 837 HB3 LEU 220 HB1 LEU 220 -2.526 25.428 19.018 838 HG LEU 220 HG LEU 220 -0.109 26.723 20.306 839 HD11 LEU 220 HD11 LEU 220 -0.273 24.186 18.693 840 HD12 LEU 220 HD12 LEU 220 0.058 24.317 20.423 841 HD13 LEU 220 HD13 LEU 220 1.201 24.975 19.257 842 HD21 LEU 220 HD21 LEU 220 -0.828 26.451 17.373 843 HD22 LEU 220 HD22 LEU 220 0.686 27.086 18.014 844 HD23 LEU 220 HD23 LEU 220 -0.818 27.944 18.315 845 H ASP 221 HN ASP 221 -3.998 26.280 22.123 846 HA ASP 221 HA ASP 221 -6.366 25.256 21.068 847 HB2 ASP 221 HB2 ASP 221 -5.711 26.247 23.875 848 HB3 ASP 221 HB1 ASP 221 -7.239 25.470 23.480 849 H SER 222 HN SER 222 -5.598 28.516 22.173 850 HA SER 222 HA SER 222 -8.305 29.540 21.760 851 HB2 SER 222 HB2 SER 222 -6.826 30.502 23.502 852 HB3 SER 222 HB1 SER 222 -5.688 31.024 22.261 853 HG SER 222 HG SER 222 -8.388 31.839 22.116 854 H CYS 223 HN CYS 223 -5.257 29.471 19.977 855 HA CYS 223 HA CYS 223 -6.006 31.513 18.092 856 HB2 CYS 223 HB2 CYS 223 -3.511 29.829 18.446 857 HB3 CYS 223 HB1 CYS 223 -3.707 30.932 17.083 858 H LEU 224 HN LEU 224 -6.398 28.096 18.214 859 HA LEU 224 HA LEU 224 -6.611 27.832 15.287 860 HB2 LEU 224 HB2 LEU 224 -6.572 25.434 15.581 861 HB3 LEU 224 HB1 LEU 224 -5.273 26.146 16.512 862 HG LEU 224 HG LEU 224 -6.890 25.864 18.572 863 HD11 LEU 224 HD11 LEU 224 -8.120 23.792 16.728 864 HD12 LEU 224 HD12 LEU 224 -8.932 25.203 17.409 865 HD13 LEU 224 HD13 LEU 224 -8.385 23.909 18.470 866 HD21 LEU 224 HD21 LEU 224 -5.990 23.620 19.007 867 HD22 LEU 224 HD22 LEU 224 -4.765 24.685 18.321 868 HD23 LEU 224 HD23 LEU 224 -5.538 23.462 17.307 869 H SER 225 HN SER 225 -8.535 28.800 17.759 870 HA SER 225 HA SER 225 -10.982 27.395 17.264 871 HB2 SER 225 HB2 SER 225 -10.530 30.057 18.687 872 HB3 SER 225 HB1 SER 225 -11.996 29.079 18.763 873 HG SER 225 HG SER 225 -9.654 27.758 19.418 874 H ARG 226 HN ARG 226 -11.098 27.555 14.990 875 HA ARG 226 HA ARG 226 -11.455 30.078 13.621 876 HB2 ARG 226 HB2 ARG 226 -11.890 28.601 11.626 877 HB3 ARG 226 HB1 ARG 226 -10.342 28.300 12.409 878 HG2 ARG 226 HG2 ARG 226 -11.377 26.321 13.571 879 HG3 ARG 226 HG1 ARG 226 -12.849 26.593 12.636 880 HD2 ARG 226 HD2 ARG 226 -11.579 26.225 10.544 881 HD3 ARG 226 HD1 ARG 226 -10.109 25.948 11.488 882 HE ARG 226 HE ARG 226 -12.137 24.204 12.382 883 HH11 ARG 226 HH11 ARG 226 -10.037 24.604 9.577 884 HH12 ARG 226 HH12 ARG 226 -10.066 22.916 9.181 885 HH21 ARG 226 HH21 ARG 226 -12.169 22.004 11.827 886 HH22 ARG 226 HH22 ARG 226 -11.272 21.449 10.450 887 H GLU 227 HN GLU 227 -13.407 30.765 12.620 888 HA GLU 227 HA GLU 227 -15.949 29.546 13.401 889 HB2 GLU 227 HB2 GLU 227 -15.237 31.057 15.314 890 HB3 GLU 227 HB1 GLU 227 -15.290 32.422 14.208 891 HG2 GLU 227 HG2 GLU 227 -17.314 32.376 15.536 892 HG3 GLU 227 HG1 GLU 227 -17.718 32.028 13.854 Start of MODEL 18 1 H1 GLY -2 HT1 GLY -2 0.521 1.985 -3.694 2 H2 GLY -2 HT2 GLY -2 -0.420 3.391 -3.606 3 H3 GLY -2 HT3 GLY -2 -1.023 1.933 -3.010 4 HA2 GLY -2 HA1 GLY -2 -0.318 3.380 -1.212 5 HA3 GLY -2 HA2 GLY -2 0.594 1.878 -1.267 6 H SER -1 HN SER -1 1.233 4.314 -3.673 7 HA SER -1 HA SER -1 3.986 4.442 -3.110 8 HB2 SER -1 HB2 SER -1 3.983 6.300 -4.831 9 HB3 SER -1 HB1 SER -1 3.180 4.826 -5.371 10 HG SER -1 HG SER -1 1.856 7.109 -4.307 11 H HIS 0 HN HIS 0 4.618 5.189 -1.157 12 HA HIS 0 HA HIS 0 3.342 7.383 0.191 13 HB2 HIS 0 HB2 HIS 0 5.011 7.042 1.960 14 HB3 HIS 0 HB1 HIS 0 4.255 5.530 1.507 15 HD1 HIS 0 HD1 HIS 0 5.858 3.634 1.347 16 HD2 HIS 0 HD2 HIS 0 7.760 7.269 0.660 17 HE1 HIS 0 HE1 HIS 0 8.302 3.105 1.140 18 HE2 HIS 0 HE2 HIS 0 9.395 5.286 0.563 19 H MET 1 HN MET 1 3.937 9.459 0.283 20 HA MET 1 HA MET 1 6.195 10.401 -1.366 21 HB2 MET 1 HB2 MET 1 3.756 11.937 -0.371 22 HB3 MET 1 HB1 MET 1 5.003 12.564 -1.445 23 HG2 MET 1 HG2 MET 1 3.098 10.300 -2.084 24 HG3 MET 1 HG1 MET 1 2.993 11.956 -2.695 25 HE1 MET 1 HE1 MET 1 4.151 9.562 -5.724 26 HE2 MET 1 HE2 MET 1 2.821 10.554 -5.128 27 HE3 MET 1 HE3 MET 1 3.206 9.023 -4.336 28 H GLN 2 HN GLN 2 7.307 12.333 -0.559 29 HA GLN 2 HA GLN 2 7.833 12.184 2.328 30 HB2 GLN 2 HB2 GLN 2 9.569 13.004 -0.020 31 HB3 GLN 2 HB1 GLN 2 9.994 13.451 1.631 32 HG2 GLN 2 HG2 GLN 2 10.154 11.123 2.284 33 HG3 GLN 2 HG1 GLN 2 9.554 10.599 0.722 34 HE21 GLN 2 HE21 GLN 2 12.029 9.849 1.999 35 HE22 GLN 2 HE22 GLN 2 13.315 10.346 0.960 36 H ILE 3 HN ILE 3 7.147 13.728 3.544 37 HA ILE 3 HA ILE 3 6.795 16.490 2.524 38 HB ILE 3 HB ILE 3 4.911 16.760 4.253 39 HG12 ILE 3 HG12 ILE 3 5.403 14.542 5.467 40 HG13 ILE 3 HG11 ILE 3 3.710 14.872 5.128 41 HG21 ILE 3 HG21 ILE 3 4.431 16.739 1.874 42 HG22 ILE 3 HG22 ILE 3 3.151 15.899 2.752 43 HG23 ILE 3 HG23 ILE 3 4.363 14.973 1.864 44 HD11 ILE 3 HD11 ILE 3 4.323 12.521 4.751 45 HD12 ILE 3 HD12 ILE 3 5.471 13.013 3.507 46 HD13 ILE 3 HD13 ILE 3 3.741 13.290 3.276 47 H PHE 4 HN PHE 4 7.060 18.142 4.175 48 HA PHE 4 HA PHE 4 9.178 17.308 6.081 49 HB2 PHE 4 HB2 PHE 4 8.940 19.899 4.481 50 HB3 PHE 4 HB1 PHE 4 10.197 19.548 5.668 51 HD1 PHE 4 HD2 PHE 4 11.925 17.833 5.200 52 HD2 PHE 4 HD1 PHE 4 9.000 18.860 2.253 53 HE1 PHE 4 HE2 PHE 4 13.258 16.706 3.475 54 HE2 PHE 4 HE1 PHE 4 10.341 17.717 0.534 55 HZ PHE 4 HZ PHE 4 12.471 16.638 1.143 56 H VAL 5 HN VAL 5 8.494 17.408 8.043 57 HA VAL 5 HA VAL 5 6.640 19.511 8.980 58 HB VAL 5 HB VAL 5 7.262 16.694 9.993 59 HG11 VAL 5 HG11 VAL 5 7.257 18.113 11.974 60 HG12 VAL 5 HG12 VAL 5 5.809 17.110 11.943 61 HG13 VAL 5 HG13 VAL 5 5.709 18.820 11.505 62 HG21 VAL 5 HG21 VAL 5 4.621 18.040 9.260 63 HG22 VAL 5 HG22 VAL 5 4.825 16.363 9.778 64 HG23 VAL 5 HG23 VAL 5 5.520 16.903 8.252 65 H LYS 6 HN LYS 6 7.597 21.103 10.079 66 HA LYS 6 HA LYS 6 10.365 20.796 11.078 67 HB2 LYS 6 HB2 LYS 6 9.781 22.417 9.111 68 HB3 LYS 6 HB1 LYS 6 8.987 23.407 10.330 69 HG2 LYS 6 HG2 LYS 6 11.111 24.374 10.148 70 HG3 LYS 6 HG1 LYS 6 11.256 23.350 11.582 71 HD2 LYS 6 HD2 LYS 6 12.335 21.589 10.202 72 HD3 LYS 6 HD1 LYS 6 12.202 22.631 8.782 73 HE2 LYS 6 HE2 LYS 6 13.630 24.320 9.977 74 HE3 LYS 6 HE1 LYS 6 13.846 23.143 11.271 75 HZ1 LYS 6 HZ1 LYS 6 14.844 21.638 9.670 76 HZ2 LYS 6 HZ2 LYS 6 15.694 23.089 9.771 77 HZ3 LYS 6 HZ3 LYS 6 14.681 22.800 8.451 78 H THR 7 HN THR 7 10.470 20.774 13.314 79 HA THR 7 HA THR 7 8.275 21.549 14.974 80 HB THR 7 HB THR 7 9.847 21.209 16.904 81 HG1 THR 7 HG1 THR 7 11.955 20.480 16.432 82 HG21 THR 7 HG21 THR 7 10.225 18.796 16.589 83 HG22 THR 7 HG22 THR 7 9.915 18.971 14.864 84 HG23 THR 7 HG23 THR 7 8.623 19.269 16.022 85 H LEU 8 HN LEU 8 8.494 23.084 16.793 86 HA LEU 8 HA LEU 8 9.308 25.718 15.992 87 HB2 LEU 8 HB2 LEU 8 8.471 24.676 18.719 88 HB3 LEU 8 HB1 LEU 8 8.591 26.368 18.265 89 HG LEU 8 HG LEU 8 6.599 24.372 17.128 90 HD11 LEU 8 HD11 LEU 8 4.920 25.662 18.401 91 HD12 LEU 8 HD12 LEU 8 6.208 26.636 19.113 92 HD13 LEU 8 HD13 LEU 8 6.115 24.906 19.454 93 HD21 LEU 8 HD21 LEU 8 5.534 26.314 16.041 94 HD22 LEU 8 HD22 LEU 8 7.184 26.099 15.463 95 HD23 LEU 8 HD23 LEU 8 6.819 27.371 16.635 96 H THR 9 HN THR 9 10.873 23.089 17.701 97 HA THR 9 HA THR 9 13.066 24.666 18.758 98 HB THR 9 HB THR 9 14.173 22.416 19.133 99 HG1 THR 9 HG1 THR 9 12.957 20.549 18.707 100 HG21 THR 9 HG21 THR 9 11.330 22.623 20.195 101 HG22 THR 9 HG22 THR 9 12.754 23.385 20.905 102 HG23 THR 9 HG23 THR 9 12.617 21.627 20.881 103 H GLY 10 HN GLY 10 12.197 23.416 15.694 104 HA2 GLY 10 HA2 GLY 10 13.049 24.319 13.726 105 HA3 GLY 10 HA1 GLY 10 14.546 24.724 14.544 106 H LYS 11 HN LYS 11 13.220 21.502 14.813 107 HA LYS 11 HA LYS 11 15.388 20.426 13.142 108 HB2 LYS 11 HB2 LYS 11 15.198 18.408 14.275 109 HB3 LYS 11 HB1 LYS 11 14.686 19.513 15.542 110 HG2 LYS 11 HG2 LYS 11 12.349 18.975 15.128 111 HG3 LYS 11 HG1 LYS 11 12.790 18.012 13.718 112 HD2 LYS 11 HD2 LYS 11 13.710 17.324 16.529 113 HD3 LYS 11 HD1 LYS 11 12.183 16.746 15.859 114 HE2 LYS 11 HE2 LYS 11 13.834 15.011 15.577 115 HE3 LYS 11 HE1 LYS 11 13.465 15.676 13.988 116 HZ1 LYS 11 HZ1 LYS 11 15.514 16.912 14.045 117 HZ2 LYS 11 HZ2 LYS 11 15.842 15.286 14.352 118 HZ3 LYS 11 HZ3 LYS 11 15.840 16.397 15.623 119 H THR 12 HN THR 12 14.952 19.010 11.371 120 HA THR 12 HA THR 12 12.276 19.256 10.141 121 HB THR 12 HB THR 12 14.915 18.244 9.011 122 HG1 THR 12 HG1 THR 12 13.478 20.546 8.218 123 HG21 THR 12 HG21 THR 12 13.757 18.326 6.773 124 HG22 THR 12 HG22 THR 12 12.221 18.606 7.607 125 HG23 THR 12 HG23 THR 12 13.092 17.086 7.829 126 H ILE 13 HN ILE 13 10.989 17.554 9.778 127 HA ILE 13 HA ILE 13 11.824 14.778 10.415 128 HB ILE 13 HB ILE 13 9.068 16.005 10.961 129 HG12 ILE 13 HG12 ILE 13 9.851 15.175 13.443 130 HG13 ILE 13 HG11 ILE 13 11.431 15.555 12.786 131 HG21 ILE 13 HG21 ILE 13 8.914 13.662 10.308 132 HG22 ILE 13 HG22 ILE 13 8.495 13.856 12.008 133 HG23 ILE 13 HG23 ILE 13 10.075 13.211 11.554 134 HD11 ILE 13 HD11 ILE 13 10.704 17.835 12.333 135 HD12 ILE 13 HD12 ILE 13 10.492 17.409 14.030 136 HD13 ILE 13 HD13 ILE 13 9.096 17.454 12.955 137 H THR 14 HN THR 14 11.949 13.866 8.379 138 HA THR 14 HA THR 14 10.031 14.585 6.271 139 HB THR 14 HB THR 14 12.362 12.621 6.170 140 HG1 THR 14 HG1 THR 14 12.829 14.824 4.741 141 HG21 THR 14 HG21 THR 14 10.687 12.180 4.391 142 HG22 THR 14 HG22 THR 14 12.163 12.855 3.699 143 HG23 THR 14 HG23 THR 14 10.744 13.878 3.910 144 H LEU 15 HN LEU 15 8.215 13.398 5.936 145 HA LEU 15 HA LEU 15 7.917 10.777 7.305 146 HB2 LEU 15 HB2 LEU 15 5.670 12.597 6.339 147 HB3 LEU 15 HB1 LEU 15 5.491 11.108 7.241 148 HG LEU 15 HG LEU 15 5.084 12.844 8.801 149 HD11 LEU 15 HD11 LEU 15 6.829 12.607 10.466 150 HD12 LEU 15 HD12 LEU 15 7.963 12.015 9.247 151 HD13 LEU 15 HD13 LEU 15 6.536 11.066 9.668 152 HD21 LEU 15 HD21 LEU 15 7.621 14.225 7.875 153 HD22 LEU 15 HD22 LEU 15 6.567 14.755 9.188 154 HD23 LEU 15 HD23 LEU 15 5.963 14.735 7.534 155 H GLU 16 HN GLU 16 6.673 9.175 6.230 156 HA GLU 16 HA GLU 16 6.939 9.196 3.276 157 HB2 GLU 16 HB2 GLU 16 7.368 6.867 5.206 158 HB3 GLU 16 HB1 GLU 16 7.450 6.765 3.448 159 HG2 GLU 16 HG2 GLU 16 9.400 8.254 3.424 160 HG3 GLU 16 HG1 GLU 16 9.299 8.441 5.177 161 H VAL 17 HN VAL 17 4.726 10.016 3.321 162 HA VAL 17 HA VAL 17 2.723 7.870 3.334 163 HB VAL 17 HB VAL 17 1.031 9.162 4.589 164 HG11 VAL 17 HG11 VAL 17 2.276 7.488 5.841 165 HG12 VAL 17 HG12 VAL 17 1.836 8.849 6.873 166 HG13 VAL 17 HG13 VAL 17 3.493 8.690 6.283 167 HG21 VAL 17 HG21 VAL 17 1.821 11.419 4.199 168 HG22 VAL 17 HG22 VAL 17 3.250 11.140 5.199 169 HG23 VAL 17 HG23 VAL 17 1.642 11.147 5.933 170 H GLU 18 HN GLU 18 0.488 9.012 2.660 171 HA GLU 18 HA GLU 18 1.205 10.081 -0.012 172 HB2 GLU 18 HB2 GLU 18 -1.507 8.947 0.803 173 HB3 GLU 18 HB1 GLU 18 -0.788 9.030 -0.804 174 HG2 GLU 18 HG2 GLU 18 0.982 7.372 0.128 175 HG3 GLU 18 HG1 GLU 18 -0.150 7.135 1.460 176 HA PRO 19 HA PRO 19 -1.131 13.937 0.863 177 HB2 PRO 19 HB2 PRO 19 -2.347 14.424 -1.576 178 HB3 PRO 19 HB1 PRO 19 -0.649 14.793 -1.240 179 HG2 PRO 19 HG2 PRO 19 -1.824 12.387 -2.621 180 HG3 PRO 19 HG1 PRO 19 -0.408 13.358 -3.079 181 HD2 PRO 19 HD2 PRO 19 -0.143 10.973 -1.822 182 HD3 PRO 19 HD1 PRO 19 0.977 12.314 -1.499 183 H SER 20 HN SER 20 -2.595 10.955 -0.104 184 HA SER 20 HA SER 20 -5.309 11.843 0.636 185 HB2 SER 20 HB2 SER 20 -5.030 10.769 -1.653 186 HB3 SER 20 HB1 SER 20 -4.526 9.290 -0.840 187 HG SER 20 HG SER 20 -6.610 9.353 0.230 188 H ASP 21 HN ASP 21 -2.594 10.576 1.905 189 HA ASP 21 HA ASP 21 -3.747 8.764 3.802 190 HB2 ASP 21 HB2 ASP 21 -1.339 8.680 3.126 191 HB3 ASP 21 HB1 ASP 21 -1.087 10.250 3.867 192 H THR 22 HN THR 22 -3.561 9.376 6.048 193 HA THR 22 HA THR 22 -5.248 11.758 6.455 194 HB THR 22 HB THR 22 -6.473 9.646 6.750 195 HG1 THR 22 HG1 THR 22 -7.057 11.382 8.106 196 HG21 THR 22 HG21 THR 22 -4.636 8.147 7.459 197 HG22 THR 22 HG22 THR 22 -5.995 8.086 8.587 198 HG23 THR 22 HG23 THR 22 -4.544 9.000 9.002 199 H ILE 23 HN ILE 23 -5.112 12.869 8.462 200 HA ILE 23 HA ILE 23 -2.456 13.595 9.018 201 HB ILE 23 HB ILE 23 -5.018 14.360 10.476 202 HG12 ILE 23 HG12 ILE 23 -5.230 15.039 8.175 203 HG13 ILE 23 HG11 ILE 23 -4.813 16.495 9.067 204 HG21 ILE 23 HG21 ILE 23 -2.310 15.739 10.590 205 HG22 ILE 23 HG22 ILE 23 -3.072 14.828 11.895 206 HG23 ILE 23 HG23 ILE 23 -3.801 16.327 11.331 207 HD11 ILE 23 HD11 ILE 23 -2.464 16.224 8.299 208 HD12 ILE 23 HD12 ILE 23 -3.622 16.436 6.986 209 HD13 ILE 23 HD13 ILE 23 -2.981 14.827 7.340 210 H GLU 24 HN GLU 24 -4.810 11.648 10.822 211 HA GLU 24 HA GLU 24 -3.451 11.426 13.285 212 HB2 GLU 24 HB2 GLU 24 -5.823 10.784 12.932 213 HB3 GLU 24 HB1 GLU 24 -5.311 9.412 11.955 214 HG2 GLU 24 HG2 GLU 24 -4.221 8.394 13.901 215 HG3 GLU 24 HG1 GLU 24 -4.626 9.799 14.886 216 H ASN 25 HN ASN 25 -3.117 9.672 10.262 217 HA ASN 25 HA ASN 25 -1.278 7.672 11.210 218 HB2 ASN 25 HB2 ASN 25 -2.721 7.474 9.147 219 HB3 ASN 25 HB1 ASN 25 -1.690 8.644 8.347 220 HD21 ASN 25 HD21 ASN 25 0.342 8.018 7.647 221 HD22 ASN 25 HD22 ASN 25 0.881 6.374 7.651 222 H VAL 26 HN VAL 26 -1.003 10.742 9.478 223 HA VAL 26 HA VAL 26 1.747 10.860 8.990 224 HB VAL 26 HB VAL 26 -0.112 13.220 9.575 225 HG11 VAL 26 HG11 VAL 26 2.249 13.928 9.709 226 HG12 VAL 26 HG12 VAL 26 1.483 14.612 8.276 227 HG13 VAL 26 HG13 VAL 26 2.571 13.229 8.120 228 HG21 VAL 26 HG21 VAL 26 -0.926 11.800 7.729 229 HG22 VAL 26 HG22 VAL 26 0.622 11.964 6.904 230 HG23 VAL 26 HG23 VAL 26 -0.407 13.377 7.139 231 H LYS 27 HN LYS 27 -0.056 11.908 11.889 232 HA LYS 27 HA LYS 27 2.203 13.056 13.219 233 HB2 LYS 27 HB2 LYS 27 0.751 13.326 15.143 234 HB3 LYS 27 HB1 LYS 27 -0.084 13.809 13.678 235 HG2 LYS 27 HG2 LYS 27 -1.305 11.634 13.709 236 HG3 LYS 27 HG1 LYS 27 -0.515 11.251 15.242 237 HD2 LYS 27 HD2 LYS 27 -2.752 12.142 15.667 238 HD3 LYS 27 HD1 LYS 27 -1.536 13.270 16.269 239 HE2 LYS 27 HE2 LYS 27 -1.818 14.579 14.116 240 HE3 LYS 27 HE1 LYS 27 -3.164 13.511 13.720 241 HZ1 LYS 27 HZ1 LYS 27 -2.973 15.369 16.022 242 HZ2 LYS 27 HZ2 LYS 27 -4.188 14.211 15.855 243 HZ3 LYS 27 HZ3 LYS 27 -4.045 15.450 14.717 244 H ALA 28 HN ALA 28 0.611 9.890 13.337 245 HA ALA 28 HA ALA 28 2.233 8.666 15.298 246 HB1 ALA 28 HB1 ALA 28 0.168 7.646 14.417 247 HB2 ALA 28 HB2 ALA 28 1.533 6.539 14.269 248 HB3 ALA 28 HB3 ALA 28 0.941 7.407 12.849 249 H LYS 29 HN LYS 29 2.884 9.511 11.936 250 HA LYS 29 HA LYS 29 5.280 7.929 11.694 251 HB2 LYS 29 HB2 LYS 29 4.457 10.302 9.980 252 HB3 LYS 29 HB1 LYS 29 5.713 9.133 9.599 253 HG2 LYS 29 HG2 LYS 29 2.732 8.668 9.681 254 HG3 LYS 29 HG1 LYS 29 3.766 8.709 8.265 255 HD2 LYS 29 HD2 LYS 29 3.829 6.443 8.415 256 HD3 LYS 29 HD1 LYS 29 4.917 6.659 9.785 257 HE2 LYS 29 HE2 LYS 29 2.966 6.597 11.319 258 HE3 LYS 29 HE1 LYS 29 1.895 6.375 9.934 259 HZ1 LYS 29 HZ1 LYS 29 4.050 4.508 10.750 260 HZ2 LYS 29 HZ2 LYS 29 2.978 4.281 9.465 261 HZ3 LYS 29 HZ3 LYS 29 2.404 4.290 11.052 262 H ILE 30 HN ILE 30 4.603 11.345 12.643 263 HA ILE 30 HA ILE 30 7.243 12.233 12.915 264 HB ILE 30 HB ILE 30 4.686 12.969 14.374 265 HG12 ILE 30 HG12 ILE 30 5.373 15.306 13.413 266 HG13 ILE 30 HG11 ILE 30 6.573 14.424 12.481 267 HG21 ILE 30 HG21 ILE 30 6.318 13.133 16.171 268 HG22 ILE 30 HG22 ILE 30 5.845 14.752 15.660 269 HG23 ILE 30 HG23 ILE 30 7.400 14.088 15.152 270 HD11 ILE 30 HD11 ILE 30 3.593 14.087 12.323 271 HD12 ILE 30 HD12 ILE 30 4.779 13.163 11.396 272 HD13 ILE 30 HD13 ILE 30 4.632 14.905 11.158 273 H GLN 31 HN GLN 31 5.238 10.376 15.215 274 HA GLN 31 HA GLN 31 7.167 9.974 17.245 275 HB2 GLN 31 HB2 GLN 31 4.752 9.455 17.508 276 HB3 GLN 31 HB1 GLN 31 4.908 8.123 16.367 277 HG2 GLN 31 HG2 GLN 31 6.564 7.067 17.980 278 HG3 GLN 31 HG1 GLN 31 6.142 8.330 19.133 279 HE21 GLN 31 HE21 GLN 31 3.293 8.336 18.389 280 HE22 GLN 31 HE22 GLN 31 2.626 6.894 19.054 281 H ASP 32 HN ASP 32 6.580 8.274 14.215 282 HA ASP 32 HA ASP 32 8.395 6.099 14.585 283 HB2 ASP 32 HB2 ASP 32 6.602 5.863 12.998 284 HB3 ASP 32 HB1 ASP 32 7.056 7.324 12.148 285 H LYS 33 HN LYS 33 8.886 9.443 13.655 286 HA LYS 33 HA LYS 33 11.562 8.859 12.532 287 HB2 LYS 33 HB2 LYS 33 10.004 11.467 12.479 288 HB3 LYS 33 HB1 LYS 33 11.546 11.174 11.683 289 HG2 LYS 33 HG2 LYS 33 8.900 9.858 11.016 290 HG3 LYS 33 HG1 LYS 33 9.707 11.122 10.084 291 HD2 LYS 33 HD2 LYS 33 11.510 9.627 9.494 292 HD3 LYS 33 HD1 LYS 33 10.907 8.377 10.589 293 HE2 LYS 33 HE2 LYS 33 8.809 8.273 9.184 294 HE3 LYS 33 HE1 LYS 33 9.600 9.360 8.035 295 HZ1 LYS 33 HZ1 LYS 33 9.868 7.073 7.370 296 HZ2 LYS 33 HZ2 LYS 33 10.566 6.680 8.859 297 HZ3 LYS 33 HZ3 LYS 33 11.367 7.721 7.794 298 H GLU 34 HN GLU 34 10.253 11.561 14.586 299 HA GLU 34 HA GLU 34 12.911 11.907 15.735 300 HB2 GLU 34 HB2 GLU 34 12.093 13.953 16.737 301 HB3 GLU 34 HB1 GLU 34 11.654 13.915 15.038 302 HG2 GLU 34 HG2 GLU 34 9.347 13.409 15.594 303 HG3 GLU 34 HG1 GLU 34 9.748 13.257 17.306 304 H GLY 35 HN GLY 35 9.921 10.410 16.657 305 HA2 GLY 35 HA2 GLY 35 9.831 8.696 18.264 306 HA3 GLY 35 HA1 GLY 35 11.248 9.362 19.067 307 H ILE 36 HN ILE 36 8.746 11.581 18.219 308 HA ILE 36 HA ILE 36 7.999 11.864 21.055 309 HB ILE 36 HB ILE 36 8.138 13.863 18.766 310 HG12 ILE 36 HG12 ILE 36 9.271 15.277 20.582 311 HG13 ILE 36 HG11 ILE 36 9.145 13.897 21.661 312 HG21 ILE 36 HG21 ILE 36 6.915 15.545 20.150 313 HG22 ILE 36 HG22 ILE 36 6.499 14.263 21.294 314 HG23 ILE 36 HG23 ILE 36 5.887 14.201 19.644 315 HD11 ILE 36 HD11 ILE 36 10.751 14.019 19.122 316 HD12 ILE 36 HD12 ILE 36 10.636 12.625 20.199 317 HD13 ILE 36 HD13 ILE 36 11.372 14.123 20.768 318 HA PRO 37 HA PRO 37 4.103 9.948 19.900 319 HB2 PRO 37 HB2 PRO 37 2.758 10.212 22.255 320 HB3 PRO 37 HB1 PRO 37 4.146 9.126 22.099 321 HG2 PRO 37 HG2 PRO 37 4.056 11.933 23.217 322 HG3 PRO 37 HG1 PRO 37 4.824 10.481 23.905 323 HD2 PRO 37 HD2 PRO 37 6.235 12.348 22.504 324 HD3 PRO 37 HD1 PRO 37 6.670 10.630 22.480 325 HA PRO 38 HA PRO 38 1.301 13.118 18.414 326 HB2 PRO 38 HB2 PRO 38 -1.206 11.973 18.812 327 HB3 PRO 38 HB1 PRO 38 -0.114 11.557 17.486 328 HG2 PRO 38 HG2 PRO 38 -0.494 10.158 20.132 329 HG3 PRO 38 HG1 PRO 38 -0.379 9.455 18.503 330 HD2 PRO 38 HD2 PRO 38 1.733 9.422 20.143 331 HD3 PRO 38 HD1 PRO 38 1.954 9.744 18.409 332 H ASP 39 HN ASP 39 1.055 12.071 21.685 333 HA ASP 39 HA ASP 39 -0.751 13.995 22.733 334 HB2 ASP 39 HB2 ASP 39 -0.071 11.850 23.854 335 HB3 ASP 39 HB1 ASP 39 1.538 12.510 24.118 336 H GLN 40 HN GLN 40 2.794 13.907 22.340 337 HA GLN 40 HA GLN 40 3.189 16.509 23.613 338 HB2 GLN 40 HB2 GLN 40 4.964 14.234 22.796 339 HB3 GLN 40 HB1 GLN 40 5.707 15.825 22.754 340 HG2 GLN 40 HG2 GLN 40 6.002 14.468 24.890 341 HG3 GLN 40 HG1 GLN 40 5.486 16.138 25.071 342 HE21 GLN 40 HE21 GLN 40 4.471 12.808 25.327 343 HE22 GLN 40 HE22 GLN 40 3.031 13.116 26.231 344 H GLN 41 HN GLN 41 3.207 15.159 20.395 345 HA GLN 41 HA GLN 41 4.175 17.678 19.229 346 HB2 GLN 41 HB2 GLN 41 4.323 16.436 17.102 347 HB3 GLN 41 HB1 GLN 41 5.245 15.684 18.386 348 HG2 GLN 41 HG2 GLN 41 4.327 13.793 17.515 349 HG3 GLN 41 HG1 GLN 41 3.034 14.203 18.627 350 HE21 GLN 41 HE21 GLN 41 1.059 14.947 17.788 351 HE22 GLN 41 HE22 GLN 41 0.674 14.842 16.110 352 H ARG 42 HN ARG 42 2.974 18.855 17.676 353 HA ARG 42 HA ARG 42 0.108 18.231 17.365 354 HB2 ARG 42 HB2 ARG 42 0.657 19.854 19.317 355 HB3 ARG 42 HB1 ARG 42 1.097 21.025 18.079 356 HG2 ARG 42 HG2 ARG 42 -1.182 21.030 17.216 357 HG3 ARG 42 HG1 ARG 42 -1.632 19.721 18.316 358 HD2 ARG 42 HD2 ARG 42 -0.905 21.289 20.216 359 HD3 ARG 42 HD1 ARG 42 -0.926 22.575 19.006 360 HE ARG 42 HE ARG 42 -3.375 21.322 18.803 361 HH11 ARG 42 HH11 ARG 42 -1.699 23.174 21.277 362 HH12 ARG 42 HH12 ARG 42 -3.155 23.599 22.120 363 HH21 ARG 42 HH21 ARG 42 -5.268 21.907 19.888 364 HH22 ARG 42 HH22 ARG 42 -5.179 22.879 21.321 365 H LEU 43 HN LEU 43 -0.606 18.618 15.335 366 HA LEU 43 HA LEU 43 1.368 19.467 13.332 367 HB2 LEU 43 HB2 LEU 43 -1.152 17.789 13.254 368 HB3 LEU 43 HB1 LEU 43 -0.596 18.539 11.772 369 HG LEU 43 HG LEU 43 0.169 16.221 11.890 370 HD11 LEU 43 HD11 LEU 43 2.554 16.572 11.453 371 HD12 LEU 43 HD12 LEU 43 2.475 18.166 12.213 372 HD13 LEU 43 HD13 LEU 43 1.578 17.851 10.727 373 HD21 LEU 43 HD21 LEU 43 1.754 15.464 13.594 374 HD22 LEU 43 HD22 LEU 43 0.227 15.954 14.321 375 HD23 LEU 43 HD23 LEU 43 1.633 17.018 14.425 376 H ILE 44 HN ILE 44 1.276 21.410 12.447 377 HA ILE 44 HA ILE 44 -1.271 22.806 12.066 378 HB ILE 44 HB ILE 44 1.135 23.988 13.529 379 HG12 ILE 44 HG12 ILE 44 -1.797 23.814 14.402 380 HG13 ILE 44 HG11 ILE 44 -0.557 22.662 14.875 381 HG21 ILE 44 HG21 ILE 44 -0.063 26.179 13.564 382 HG22 ILE 44 HG22 ILE 44 -1.295 25.514 12.488 383 HG23 ILE 44 HG23 ILE 44 0.366 25.686 11.926 384 HD11 ILE 44 HD11 ILE 44 -0.578 25.582 15.557 385 HD12 ILE 44 HD12 ILE 44 0.630 24.391 16.056 386 HD13 ILE 44 HD13 ILE 44 -1.034 24.245 16.614 387 H PHE 45 HN PHE 45 -1.380 23.392 10.008 388 HA PHE 45 HA PHE 45 1.059 24.164 8.493 389 HB2 PHE 45 HB2 PHE 45 0.083 22.043 7.660 390 HB3 PHE 45 HB1 PHE 45 -1.493 22.800 7.513 391 HD1 PHE 45 HD2 PHE 45 2.002 22.960 6.156 392 HD2 PHE 45 HD1 PHE 45 -2.128 23.808 5.440 393 HE1 PHE 45 HE2 PHE 45 2.519 23.470 3.811 394 HE2 PHE 45 HE1 PHE 45 -1.599 24.320 3.093 395 HZ PHE 45 HZ PHE 45 0.714 24.150 2.274 396 H ALA 46 HN ALA 46 1.034 26.307 8.135 397 HA ALA 46 HA ALA 46 0.446 28.375 7.440 398 HB1 ALA 46 HB1 ALA 46 -1.499 28.667 5.984 399 HB2 ALA 46 HB2 ALA 46 -2.135 27.098 6.496 400 HB3 ALA 46 HB3 ALA 46 -0.635 27.185 5.568 401 H GLY 47 HN GLY 47 -0.527 27.222 10.140 402 HA2 GLY 47 HA2 GLY 47 -1.114 28.553 11.991 403 HA3 GLY 47 HA1 GLY 47 -1.975 29.659 10.934 404 H LYS 48 HN LYS 48 -2.753 26.382 10.289 405 HA LYS 48 HA LYS 48 -5.016 26.388 12.240 406 HB2 LYS 48 HB2 LYS 48 -6.453 25.351 10.606 407 HB3 LYS 48 HB1 LYS 48 -5.734 26.763 9.850 408 HG2 LYS 48 HG2 LYS 48 -3.972 24.767 9.073 409 HG3 LYS 48 HG1 LYS 48 -5.496 23.890 9.124 410 HD2 LYS 48 HD2 LYS 48 -5.127 24.732 6.871 411 HD3 LYS 48 HD1 LYS 48 -6.495 25.592 7.590 412 HE2 LYS 48 HE2 LYS 48 -5.028 27.506 8.105 413 HE3 LYS 48 HE1 LYS 48 -3.650 26.640 7.422 414 HZ1 LYS 48 HZ1 LYS 48 -6.066 27.560 5.982 415 HZ2 LYS 48 HZ2 LYS 48 -4.853 26.610 5.292 416 HZ3 LYS 48 HZ3 LYS 48 -4.500 28.171 5.828 417 H GLN 49 HN GLN 49 -5.293 24.527 13.433 418 HA GLN 49 HA GLN 49 -3.214 22.538 13.405 419 HB2 GLN 49 HB2 GLN 49 -4.270 23.139 15.554 420 HB3 GLN 49 HB1 GLN 49 -5.835 22.560 14.982 421 HG2 GLN 49 HG2 GLN 49 -4.884 20.262 14.781 422 HG3 GLN 49 HG1 GLN 49 -3.347 20.859 15.399 423 HE21 GLN 49 HE21 GLN 49 -3.444 19.355 17.108 424 HE22 GLN 49 HE22 GLN 49 -4.517 19.557 18.450 425 H LEU 50 HN LEU 50 -3.219 20.605 12.431 426 HA LEU 50 HA LEU 50 -5.218 19.995 10.464 427 HB2 LEU 50 HB2 LEU 50 -2.847 18.307 11.305 428 HB3 LEU 50 HB1 LEU 50 -3.740 18.218 9.793 429 HG LEU 50 HG LEU 50 -1.864 20.437 10.685 430 HD11 LEU 50 HD11 LEU 50 -0.720 18.448 9.907 431 HD12 LEU 50 HD12 LEU 50 -0.524 19.756 8.743 432 HD13 LEU 50 HD13 LEU 50 -1.664 18.448 8.414 433 HD21 LEU 50 HD21 LEU 50 -3.533 20.348 8.148 434 HD22 LEU 50 HD22 LEU 50 -2.296 21.541 8.534 435 HD23 LEU 50 HD23 LEU 50 -3.759 21.458 9.503 436 H GLU 51 HN GLU 51 -7.004 18.874 10.882 437 HA GLU 51 HA GLU 51 -7.549 17.545 13.355 438 HB2 GLU 51 HB2 GLU 51 -9.274 18.827 12.214 439 HB3 GLU 51 HB1 GLU 51 -9.115 17.851 10.762 440 HG2 GLU 51 HG2 GLU 51 -10.065 15.917 11.901 441 HG3 GLU 51 HG1 GLU 51 -10.111 16.797 13.426 442 H ASP 52 HN ASP 52 -7.764 15.362 13.740 443 HA ASP 52 HA ASP 52 -5.909 13.628 12.573 444 HB2 ASP 52 HB2 ASP 52 -8.308 13.017 14.357 445 HB3 ASP 52 HB1 ASP 52 -7.034 11.852 13.990 446 H GLY 53 HN GLY 53 -9.424 13.772 12.198 447 HA2 GLY 53 HA2 GLY 53 -9.782 11.417 10.664 448 HA3 GLY 53 HA1 GLY 53 -10.929 12.729 10.842 449 H ARG 54 HN ARG 54 -8.958 14.702 9.756 450 HA ARG 54 HA ARG 54 -9.726 14.457 6.979 451 HB2 ARG 54 HB2 ARG 54 -8.110 16.568 8.456 452 HB3 ARG 54 HB1 ARG 54 -8.570 16.690 6.756 453 HG2 ARG 54 HG2 ARG 54 -10.970 16.564 7.453 454 HG3 ARG 54 HG1 ARG 54 -10.450 16.580 9.137 455 HD2 ARG 54 HD2 ARG 54 -9.450 18.772 8.837 456 HD3 ARG 54 HD1 ARG 54 -9.858 18.781 7.125 457 HE ARG 54 HE ARG 54 -11.805 18.896 9.363 458 HH11 ARG 54 HH11 ARG 54 -11.080 19.462 5.975 459 HH12 ARG 54 HH12 ARG 54 -12.455 20.486 5.727 460 HH21 ARG 54 HH21 ARG 54 -13.620 20.235 8.988 461 HH22 ARG 54 HH22 ARG 54 -13.897 20.896 7.410 462 H THR 55 HN THR 55 -7.944 15.235 5.343 463 HA THR 55 HA THR 55 -5.594 13.432 5.612 464 HB THR 55 HB THR 55 -5.664 13.301 3.055 465 HG1 THR 55 HG1 THR 55 -8.191 13.680 2.572 466 HG21 THR 55 HG21 THR 55 -6.442 11.406 4.421 467 HG22 THR 55 HG22 THR 55 -7.411 11.570 2.955 468 HG23 THR 55 HG23 THR 55 -8.058 12.117 4.504 469 H LEU 56 HN LEU 56 -3.735 14.099 4.242 470 HA LEU 56 HA LEU 56 -2.832 16.669 4.828 471 HB2 LEU 56 HB2 LEU 56 -1.919 14.671 2.724 472 HB3 LEU 56 HB1 LEU 56 -1.061 16.183 3.009 473 HG LEU 56 HG LEU 56 -1.495 14.038 5.142 474 HD11 LEU 56 HD11 LEU 56 0.990 14.558 3.479 475 HD12 LEU 56 HD12 LEU 56 -0.064 13.144 3.392 476 HD13 LEU 56 HD13 LEU 56 0.868 13.445 4.850 477 HD21 LEU 56 HD21 LEU 56 0.201 15.256 6.438 478 HD22 LEU 56 HD22 LEU 56 -1.170 16.298 6.082 479 HD23 LEU 56 HD23 LEU 56 0.327 16.479 5.166 480 H SER 57 HN SER 57 -3.963 15.422 1.667 481 HA SER 57 HA SER 57 -3.772 17.804 0.182 482 HB2 SER 57 HB2 SER 57 -3.928 15.552 -0.845 483 HB3 SER 57 HB1 SER 57 -5.602 15.414 -0.313 484 HG SER 57 HG SER 57 -5.088 17.716 -1.735 485 H ASP 58 HN ASP 58 -6.203 16.702 2.434 486 HA ASP 58 HA ASP 58 -8.403 18.285 1.514 487 HB2 ASP 58 HB2 ASP 58 -8.700 16.329 2.987 488 HB3 ASP 58 HB1 ASP 58 -7.808 17.135 4.273 489 H TYR 59 HN TYR 59 -5.788 18.783 3.878 490 HA TYR 59 HA TYR 59 -6.533 21.577 4.341 491 HB2 TYR 59 HB2 TYR 59 -4.433 19.706 5.449 492 HB3 TYR 59 HB1 TYR 59 -4.216 21.439 5.642 493 HD1 TYR 59 HD1 TYR 59 -6.234 22.753 6.661 494 HD2 TYR 59 HD2 TYR 59 -5.692 18.536 7.102 495 HE1 TYR 59 HE1 TYR 59 -7.654 22.785 8.648 496 HE2 TYR 59 HE2 TYR 59 -7.125 18.575 9.099 497 HH TYR 59 HH TYR 59 -7.722 20.534 10.899 498 H ASN 60 HN ASN 60 -5.424 20.259 1.704 499 HA ASN 60 HA ASN 60 -4.398 20.952 -0.170 500 HB2 ASN 60 HB2 ASN 60 -4.108 23.616 1.286 501 HB3 ASN 60 HB1 ASN 60 -3.831 23.373 -0.437 502 HD21 ASN 60 HD21 ASN 60 -6.275 23.422 2.099 503 HD22 ASN 60 HD22 ASN 60 -7.635 23.600 1.043 504 H ILE 61 HN ILE 61 -2.940 19.771 2.093 505 HA ILE 61 HA ILE 61 -0.153 20.600 1.737 506 HB ILE 61 HB ILE 61 -1.265 18.241 3.324 507 HG12 ILE 61 HG12 ILE 61 -0.517 20.925 4.552 508 HG13 ILE 61 HG11 ILE 61 -2.152 20.577 4.001 509 HG21 ILE 61 HG21 ILE 61 1.146 18.052 2.858 510 HG22 ILE 61 HG22 ILE 61 0.866 18.318 4.578 511 HG23 ILE 61 HG23 ILE 61 1.425 19.648 3.562 512 HD11 ILE 61 HD11 ILE 61 -1.851 20.244 6.402 513 HD12 ILE 61 HD12 ILE 61 -0.681 18.965 6.076 514 HD13 ILE 61 HD13 ILE 61 -2.369 18.780 5.565 515 H GLN 62 HN GLN 62 0.774 19.868 -0.056 516 HA GLN 62 HA GLN 62 0.137 17.223 -1.217 517 HB2 GLN 62 HB2 GLN 62 1.276 18.067 -3.235 518 HB3 GLN 62 HB1 GLN 62 -0.011 19.165 -2.758 519 HG2 GLN 62 HG2 GLN 62 1.530 20.797 -1.933 520 HG3 GLN 62 HG1 GLN 62 2.867 19.656 -1.944 521 HE21 GLN 62 HE21 GLN 62 3.898 19.173 -3.881 522 HE22 GLN 62 HE22 GLN 62 3.709 20.153 -5.295 523 H LYS 63 HN LYS 63 2.411 16.491 -2.435 524 HA LYS 63 HA LYS 63 4.210 15.639 -0.438 525 HB2 LYS 63 HB2 LYS 63 5.585 14.760 -2.222 526 HB3 LYS 63 HB1 LYS 63 3.904 14.509 -2.669 527 HG2 LYS 63 HG2 LYS 63 4.078 16.577 -4.120 528 HG3 LYS 63 HG1 LYS 63 5.809 16.590 -3.785 529 HD2 LYS 63 HD2 LYS 63 4.271 14.349 -5.152 530 HD3 LYS 63 HD1 LYS 63 5.301 15.530 -5.959 531 HE2 LYS 63 HE2 LYS 63 7.270 14.630 -4.804 532 HE3 LYS 63 HE1 LYS 63 6.254 13.490 -3.916 533 HZ1 LYS 63 HZ1 LYS 63 6.625 13.555 -6.863 534 HZ2 LYS 63 HZ2 LYS 63 5.625 12.479 -6.029 535 HZ3 LYS 63 HZ3 LYS 63 7.301 12.423 -5.802 536 H GLU 64 HN GLU 64 6.128 16.428 0.257 537 HA GLU 64 HA GLU 64 7.879 17.750 0.707 538 HB2 GLU 64 HB2 GLU 64 7.353 18.963 -2.024 539 HB3 GLU 64 HB1 GLU 64 8.794 19.270 -1.058 540 HG2 GLU 64 HG2 GLU 64 9.530 16.989 -1.275 541 HG3 GLU 64 HG1 GLU 64 7.995 16.495 -1.995 542 H SER 65 HN SER 65 4.769 18.875 0.703 543 HA SER 65 HA SER 65 5.102 21.653 1.168 544 HB2 SER 65 HB2 SER 65 2.992 19.741 2.247 545 HB3 SER 65 HB1 SER 65 2.906 21.498 2.375 546 HG SER 65 HG SER 65 3.306 21.161 -0.107 547 H THR 66 HN THR 66 5.825 22.746 2.895 548 HA THR 66 HA THR 66 6.820 21.238 5.211 549 HB THR 66 HB THR 66 7.538 24.085 4.406 550 HG1 THR 66 HG1 THR 66 8.154 21.913 3.105 551 HG21 THR 66 HG21 THR 66 9.484 23.745 5.896 552 HG22 THR 66 HG22 THR 66 8.918 22.122 6.293 553 HG23 THR 66 HG23 THR 66 7.982 23.530 6.801 554 H LEU 67 HN LEU 67 5.985 21.530 7.165 555 HA LEU 67 HA LEU 67 4.174 23.767 7.745 556 HB2 LEU 67 HB2 LEU 67 2.650 22.179 8.948 557 HB3 LEU 67 HB1 LEU 67 2.630 22.032 7.208 558 HG LEU 67 HG LEU 67 4.296 20.121 8.870 559 HD11 LEU 67 HD11 LEU 67 1.353 19.787 8.215 560 HD12 LEU 67 HD12 LEU 67 2.044 20.039 9.820 561 HD13 LEU 67 HD13 LEU 67 2.405 18.561 8.934 562 HD21 LEU 67 HD21 LEU 67 2.951 19.797 6.155 563 HD22 LEU 67 HD22 LEU 67 3.946 18.588 6.974 564 HD23 LEU 67 HD23 LEU 67 4.670 20.097 6.426 565 H HIS 68 HN HIS 68 3.586 23.646 10.169 566 HA HIS 68 HA HIS 68 6.110 23.481 11.672 567 HB2 HIS 68 HB2 HIS 68 3.514 24.958 12.273 568 HB3 HIS 68 HB1 HIS 68 4.924 24.941 13.337 569 HD1 HIS 68 HD1 HIS 68 3.647 26.432 10.157 570 HD2 HIS 68 HD2 HIS 68 7.121 26.467 12.437 571 HE1 HIS 68 HE1 HIS 68 5.035 28.311 9.248 572 HE2 HIS 68 HE2 HIS 68 7.053 28.414 10.742 573 H LEU 69 HN LEU 69 6.268 22.494 13.628 574 HA LEU 69 HA LEU 69 4.133 20.658 14.529 575 HB2 LEU 69 HB2 LEU 69 6.125 19.602 13.271 576 HB3 LEU 69 HB1 LEU 69 7.128 20.091 14.610 577 HG LEU 69 HG LEU 69 6.491 17.668 14.628 578 HD11 LEU 69 HD11 LEU 69 5.432 19.130 17.049 579 HD12 LEU 69 HD12 LEU 69 7.130 18.790 16.719 580 HD13 LEU 69 HD13 LEU 69 6.007 17.462 16.974 581 HD21 LEU 69 HD21 LEU 69 3.669 18.648 15.155 582 HD22 LEU 69 HD22 LEU 69 4.220 16.972 15.224 583 HD23 LEU 69 HD23 LEU 69 4.239 17.839 13.691 584 H VAL 70 HN VAL 70 3.687 20.930 16.625 585 HA VAL 70 HA VAL 70 5.380 22.726 18.254 586 HB VAL 70 HB VAL 70 2.411 22.084 18.547 587 HG11 VAL 70 HG11 VAL 70 4.141 24.062 20.088 588 HG12 VAL 70 HG12 VAL 70 3.442 22.572 20.722 589 HG13 VAL 70 HG13 VAL 70 2.392 23.898 20.240 590 HG21 VAL 70 HG21 VAL 70 2.050 24.416 17.753 591 HG22 VAL 70 HG22 VAL 70 2.840 23.423 16.535 592 HG23 VAL 70 HG23 VAL 70 3.783 24.585 17.469 593 H LEU 71 HN LEU 71 6.667 21.545 19.488 594 HA LEU 71 HA LEU 71 5.913 19.043 20.739 595 HB2 LEU 71 HB2 LEU 71 8.296 20.871 21.252 596 HB3 LEU 71 HB1 LEU 71 8.113 19.235 21.857 597 HG LEU 71 HG LEU 71 8.367 19.968 18.911 598 HD11 LEU 71 HD11 LEU 71 10.450 18.784 20.780 599 HD12 LEU 71 HD12 LEU 71 10.463 20.412 20.101 600 HD13 LEU 71 HD13 LEU 71 10.637 19.019 19.038 601 HD21 LEU 71 HD21 LEU 71 8.662 17.549 18.540 602 HD22 LEU 71 HD22 LEU 71 7.086 17.902 19.241 603 HD23 LEU 71 HD23 LEU 71 8.368 17.239 20.256 604 H ARG 72 HN ARG 72 5.580 18.765 22.999 605 HA ARG 72 HA ARG 72 4.661 21.181 24.487 606 HB2 ARG 72 HB2 ARG 72 3.496 18.352 24.449 607 HB3 ARG 72 HB1 ARG 72 2.982 19.618 25.575 608 HG2 ARG 72 HG2 ARG 72 2.204 20.999 23.671 609 HG3 ARG 72 HG1 ARG 72 2.745 19.752 22.545 610 HD2 ARG 72 HD2 ARG 72 0.350 19.544 22.851 611 HD3 ARG 72 HD1 ARG 72 1.136 18.150 23.605 612 HE ARG 72 HE ARG 72 0.386 20.486 25.229 613 HH11 ARG 72 HH11 ARG 72 0.048 17.030 24.679 614 HH12 ARG 72 HH12 ARG 72 -1.031 16.818 26.016 615 HH21 ARG 72 HH21 ARG 72 -1.016 20.199 26.945 616 HH22 ARG 72 HH22 ARG 72 -1.631 18.619 27.316 617 H LEU 73 HN LEU 73 6.176 18.001 24.697 618 HA LEU 73 HA LEU 73 7.339 16.856 26.250 619 HB2 LEU 73 HB2 LEU 73 8.401 19.665 26.748 620 HB3 LEU 73 HB1 LEU 73 9.060 18.266 27.570 621 HG LEU 73 HG LEU 73 10.557 18.770 25.776 622 HD11 LEU 73 HD11 LEU 73 10.560 16.760 24.396 623 HD12 LEU 73 HD12 LEU 73 8.899 16.402 24.878 624 HD13 LEU 73 HD13 LEU 73 10.193 16.385 26.076 625 HD21 LEU 73 HD21 LEU 73 8.211 18.775 23.860 626 HD22 LEU 73 HD22 LEU 73 9.910 18.956 23.416 627 HD23 LEU 73 HD23 LEU 73 9.128 20.180 24.407 628 H ARG 74 HN ARG 74 4.815 17.044 27.100 629 HA ARG 74 HA ARG 74 4.294 18.009 29.675 630 HB2 ARG 74 HB2 ARG 74 3.207 15.628 28.135 631 HB3 ARG 74 HB1 ARG 74 2.643 15.971 29.762 632 HG2 ARG 74 HG2 ARG 74 2.472 18.013 27.526 633 HG3 ARG 74 HG1 ARG 74 1.199 16.830 27.841 634 HD2 ARG 74 HD2 ARG 74 2.210 18.930 29.802 635 HD3 ARG 74 HD1 ARG 74 0.668 18.963 28.931 636 HE ARG 74 HE ARG 74 0.560 16.583 30.217 637 HH11 ARG 74 HH11 ARG 74 1.185 19.831 31.452 638 HH12 ARG 74 HH12 ARG 74 0.568 19.455 33.030 639 HH21 ARG 74 HH21 ARG 74 -0.205 16.135 32.273 640 HH22 ARG 74 HH22 ARG 74 -0.223 17.372 33.490 641 H GLY 75 HN GLY 75 5.786 14.962 28.657 642 HA2 GLY 75 HA2 GLY 75 6.408 14.229 31.459 643 HA3 GLY 75 HA1 GLY 75 6.418 13.144 30.075 644 H GLY 76 HN GLY 76 7.863 16.179 29.441 645 HA2 GLY 76 HA2 GLY 76 10.027 16.837 29.029 646 HA3 GLY 76 HA1 GLY 76 10.559 15.636 30.199 647 H1 GLY 195 HN GLY 195 18.436 18.096 23.364 648 HA2 GLY 195 HA2 GLY 195 18.593 19.348 25.807 649 HA3 GLY 195 HA1 GLY 195 17.692 20.482 24.802 650 H SER 196 HN SER 196 15.544 20.221 24.714 651 HA SER 196 HA SER 196 13.441 19.432 24.870 652 HB2 SER 196 HB2 SER 196 14.661 16.711 24.253 653 HB3 SER 196 HB1 SER 196 12.960 17.146 24.071 654 HG SER 196 HG SER 196 14.663 18.864 22.779 655 H ARG 197 HN ARG 197 15.342 19.238 27.278 656 HA ARG 197 HA ARG 197 13.972 17.252 28.965 657 HB2 ARG 197 HB2 ARG 197 16.501 18.900 29.357 658 HB3 ARG 197 HB1 ARG 197 15.788 17.945 30.653 659 HG2 ARG 197 HG2 ARG 197 16.088 15.893 29.315 660 HG3 ARG 197 HG1 ARG 197 16.805 16.840 28.010 661 HD2 ARG 197 HD2 ARG 197 18.705 17.420 29.392 662 HD3 ARG 197 HD1 ARG 197 17.939 16.723 30.824 663 HE ARG 197 HE ARG 197 18.073 14.634 29.097 664 HH11 ARG 197 HH11 ARG 197 20.567 16.861 30.222 665 HH12 ARG 197 HH12 ARG 197 21.789 15.631 30.276 666 HH21 ARG 197 HH21 ARG 197 19.685 13.052 29.197 667 HH22 ARG 197 HH22 ARG 197 21.294 13.480 29.683 668 H GLN 198 HN GLN 198 14.375 20.737 28.578 669 HA GLN 198 HA GLN 198 12.718 21.297 30.970 670 HB2 GLN 198 HB2 GLN 198 13.588 23.564 30.922 671 HB3 GLN 198 HB1 GLN 198 14.953 22.461 30.802 672 HG2 GLN 198 HG2 GLN 198 15.214 22.917 28.450 673 HG3 GLN 198 HG1 GLN 198 13.699 23.808 28.390 674 HE21 GLN 198 HE21 GLN 198 13.607 25.895 29.337 675 HE22 GLN 198 HE22 GLN 198 15.039 26.818 29.612 676 H VAL 199 HN VAL 199 11.326 23.379 30.641 677 HA VAL 199 HA VAL 199 9.600 23.227 28.361 678 HB VAL 199 HB VAL 199 8.691 24.031 30.480 679 HG11 VAL 199 HG11 VAL 199 10.676 25.040 31.495 680 HG12 VAL 199 HG12 VAL 199 9.320 26.165 31.540 681 HG13 VAL 199 HG13 VAL 199 10.610 26.387 30.355 682 HG21 VAL 199 HG21 VAL 199 7.630 24.910 28.444 683 HG22 VAL 199 HG22 VAL 199 8.714 26.303 28.444 684 HG23 VAL 199 HG23 VAL 199 7.538 26.096 29.745 685 H THR 200 HN THR 200 10.106 23.927 26.399 686 HA THR 200 HA THR 200 12.473 25.500 25.856 687 HB THR 200 HB THR 200 10.343 24.584 23.859 688 HG1 THR 200 HG1 THR 200 10.892 22.657 24.556 689 HG21 THR 200 HG21 THR 200 13.326 25.116 23.507 690 HG22 THR 200 HG22 THR 200 12.016 26.160 22.951 691 HG23 THR 200 HG23 THR 200 12.214 24.557 22.250 692 H LYS 201 HN LYS 201 12.514 27.575 24.788 693 HA LYS 201 HA LYS 201 10.024 29.175 24.823 694 HB2 LYS 201 HB2 LYS 201 12.965 29.967 24.684 695 HB3 LYS 201 HB1 LYS 201 11.695 31.098 24.233 696 HG2 LYS 201 HG2 LYS 201 12.417 31.521 26.525 697 HG3 LYS 201 HG1 LYS 201 10.741 30.983 26.501 698 HD2 LYS 201 HD2 LYS 201 11.910 29.951 28.382 699 HD3 LYS 201 HD1 LYS 201 11.466 28.709 27.213 700 HE2 LYS 201 HE2 LYS 201 13.730 28.327 28.089 701 HE3 LYS 201 HE1 LYS 201 13.780 28.672 26.361 702 HZ1 LYS 201 HZ1 LYS 201 15.512 29.821 27.632 703 HZ2 LYS 201 HZ2 LYS 201 14.325 30.666 28.489 704 HZ3 LYS 201 HZ3 LYS 201 14.492 30.899 26.824 705 H VAL 202 HN VAL 202 9.030 29.623 22.941 706 HA VAL 202 HA VAL 202 10.190 28.874 20.342 707 HB VAL 202 HB VAL 202 8.168 27.337 19.920 708 HG11 VAL 202 HG11 VAL 202 10.400 26.378 20.277 709 HG12 VAL 202 HG12 VAL 202 9.159 25.349 20.994 710 HG13 VAL 202 HG13 VAL 202 10.145 26.389 22.025 711 HG21 VAL 202 HG21 VAL 202 6.756 28.088 21.797 712 HG22 VAL 202 HG22 VAL 202 7.916 27.438 22.956 713 HG23 VAL 202 HG23 VAL 202 7.034 26.348 21.884 714 H ASP 203 HN ASP 203 8.137 28.998 18.680 715 HA ASP 203 HA ASP 203 6.745 31.571 19.231 716 HB2 ASP 203 HB2 ASP 203 8.433 31.670 17.354 717 HB3 ASP 203 HB1 ASP 203 7.508 30.458 16.484 718 H CYS 204 HN CYS 204 4.572 31.782 18.628 719 HA CYS 204 HA CYS 204 2.972 29.345 18.501 720 HB2 CYS 204 HB2 CYS 204 2.337 31.203 20.028 721 HB3 CYS 204 HB1 CYS 204 2.141 32.270 18.653 722 HA PRO 205 HA PRO 205 3.542 29.902 14.008 723 HB2 PRO 205 HB2 PRO 205 2.595 27.482 13.150 724 HB3 PRO 205 HB1 PRO 205 4.171 27.675 13.930 725 HG2 PRO 205 HG2 PRO 205 1.547 26.828 15.170 726 HG3 PRO 205 HG1 PRO 205 3.150 26.070 15.322 727 HD2 PRO 205 HD2 PRO 205 2.218 27.717 17.236 728 HD3 PRO 205 HD1 PRO 205 3.934 27.706 16.796 729 H VAL 206 HN VAL 206 0.654 30.194 15.553 730 HA VAL 206 HA VAL 206 -0.965 30.395 13.105 731 HB VAL 206 HB VAL 206 -1.866 30.741 16.002 732 HG11 VAL 206 HG11 VAL 206 -4.164 30.525 15.084 733 HG12 VAL 206 HG12 VAL 206 -3.505 30.478 13.448 734 HG13 VAL 206 HG13 VAL 206 -3.325 31.932 14.432 735 HG21 VAL 206 HG21 VAL 206 -2.847 28.471 15.822 736 HG22 VAL 206 HG22 VAL 206 -1.097 28.425 15.599 737 HG23 VAL 206 HG23 VAL 206 -2.162 28.296 14.200 738 H CYS 207 HN CYS 207 0.078 32.401 15.908 739 HA CYS 207 HA CYS 207 -0.823 34.843 14.471 740 HB2 CYS 207 HB2 CYS 207 -1.387 35.865 16.571 741 HB3 CYS 207 HB1 CYS 207 -2.117 34.266 16.571 742 H GLY 208 HN GLY 208 1.893 33.209 15.435 743 HA2 GLY 208 HA2 GLY 208 4.108 33.631 15.481 744 HA3 GLY 208 HA1 GLY 208 3.767 35.068 14.561 745 H VAL 209 HN VAL 209 3.272 33.984 17.935 746 HA VAL 209 HA VAL 209 4.848 36.316 18.876 747 HB VAL 209 HB VAL 209 3.584 36.291 21.015 748 HG11 VAL 209 HG11 VAL 209 1.499 37.316 20.187 749 HG12 VAL 209 HG12 VAL 209 1.792 36.633 18.585 750 HG13 VAL 209 HG13 VAL 209 2.897 37.841 19.245 751 HG21 VAL 209 HG21 VAL 209 2.831 33.943 21.065 752 HG22 VAL 209 HG22 VAL 209 1.752 34.237 19.699 753 HG23 VAL 209 HG23 VAL 209 1.460 35.039 21.244 754 H ASN 210 HN ASN 210 6.625 35.850 20.027 755 HA ASN 210 HA ASN 210 7.365 33.084 20.455 756 HB2 ASN 210 HB2 ASN 210 8.985 34.771 19.539 757 HB3 ASN 210 HB1 ASN 210 8.974 35.597 21.095 758 HD21 ASN 210 HD21 ASN 210 9.912 32.674 19.414 759 HD22 ASN 210 HD22 ASN 210 11.035 32.120 20.601 760 H ILE 211 HN ILE 211 6.958 32.043 22.259 761 HA ILE 211 HA ILE 211 6.589 33.289 24.885 762 HB ILE 211 HB ILE 211 4.358 31.993 25.084 763 HG12 ILE 211 HG12 ILE 211 4.720 31.836 22.050 764 HG13 ILE 211 HG11 ILE 211 4.587 30.483 23.168 765 HG21 ILE 211 HG21 ILE 211 4.381 34.311 23.112 766 HG22 ILE 211 HG22 ILE 211 4.394 34.456 24.869 767 HG23 ILE 211 HG23 ILE 211 2.990 33.767 24.056 768 HD11 ILE 211 HD11 ILE 211 2.567 30.761 21.897 769 HD12 ILE 211 HD12 ILE 211 2.408 32.430 22.445 770 HD13 ILE 211 HD13 ILE 211 2.253 31.103 23.600 771 HA PRO 212 HA PRO 212 8.281 29.313 26.371 772 HB2 PRO 212 HB2 PRO 212 6.684 28.821 28.605 773 HB3 PRO 212 HB1 PRO 212 8.061 29.928 28.589 774 HG2 PRO 212 HG2 PRO 212 5.129 30.557 28.245 775 HG3 PRO 212 HG1 PRO 212 6.342 31.384 29.248 776 HD2 PRO 212 HD2 PRO 212 5.621 32.407 26.881 777 HD3 PRO 212 HD1 PRO 212 7.325 32.456 27.390 778 H GLU 213 HN GLU 213 7.757 27.059 26.543 779 HA GLU 213 HA GLU 213 6.060 26.251 24.432 780 HB2 GLU 213 HB2 GLU 213 8.272 25.295 24.961 781 HB3 GLU 213 HB1 GLU 213 7.625 24.587 26.430 782 HG2 GLU 213 HG2 GLU 213 6.256 23.050 25.166 783 HG3 GLU 213 HG1 GLU 213 6.648 23.880 23.654 784 H SER 214 HN SER 214 5.617 26.087 27.945 785 HA SER 214 HA SER 214 3.280 24.455 27.964 786 HB2 SER 214 HB2 SER 214 4.541 24.996 30.031 787 HB3 SER 214 HB1 SER 214 4.085 26.693 29.883 788 HG SER 214 HG SER 214 2.719 25.625 31.339 789 H HIS 215 HN HIS 215 3.800 27.944 27.637 790 HA HIS 215 HA HIS 215 0.984 28.601 27.423 791 HB2 HIS 215 HB2 HIS 215 3.531 30.253 27.258 792 HB3 HIS 215 HB1 HIS 215 1.945 30.952 26.935 793 HD1 HIS 215 HD1 HIS 215 0.475 31.486 28.908 794 HD2 HIS 215 HD2 HIS 215 3.909 29.426 30.003 795 HE1 HIS 215 HE1 HIS 215 0.545 31.590 31.406 796 HE2 HIS 215 HE2 HIS 215 2.525 30.180 32.051 797 H ILE 216 HN ILE 216 3.441 27.639 25.181 798 HA ILE 216 HA ILE 216 2.253 28.877 22.882 799 HB ILE 216 HB ILE 216 4.718 27.921 23.081 800 HG12 ILE 216 HG12 ILE 216 3.694 29.044 21.043 801 HG13 ILE 216 HG11 ILE 216 4.966 27.889 20.679 802 HG21 ILE 216 HG21 ILE 216 4.177 25.577 23.547 803 HG22 ILE 216 HG22 ILE 216 5.079 25.710 22.044 804 HG23 ILE 216 HG23 ILE 216 3.336 25.433 22.007 805 HD11 ILE 216 HD11 ILE 216 3.196 27.697 19.082 806 HD12 ILE 216 HD12 ILE 216 2.000 27.463 20.350 807 HD13 ILE 216 HD13 ILE 216 3.233 26.234 20.059 808 H ASN 217 HN ASN 217 2.096 25.667 24.411 809 HA ASN 217 HA ASN 217 0.298 24.379 22.731 810 HB2 ASN 217 HB2 ASN 217 1.432 23.223 24.574 811 HB3 ASN 217 HB1 ASN 217 0.587 24.212 25.759 812 HD21 ASN 217 HD21 ASN 217 -0.863 22.652 22.900 813 HD22 ASN 217 HD22 ASN 217 -1.890 21.596 23.796 814 H LYS 218 HN LYS 218 -0.412 26.296 25.668 815 HA LYS 218 HA LYS 218 -3.204 26.305 25.562 816 HB2 LYS 218 HB2 LYS 218 -1.975 26.994 27.552 817 HB3 LYS 218 HB1 LYS 218 -1.262 28.358 26.703 818 HG2 LYS 218 HG2 LYS 218 -3.032 29.103 28.225 819 HG3 LYS 218 HG1 LYS 218 -3.462 29.449 26.548 820 HD2 LYS 218 HD2 LYS 218 -4.929 27.433 26.522 821 HD3 LYS 218 HD1 LYS 218 -4.505 27.116 28.207 822 HE2 LYS 218 HE2 LYS 218 -5.530 29.270 28.861 823 HE3 LYS 218 HE1 LYS 218 -5.956 29.578 27.175 824 HZ1 LYS 218 HZ1 LYS 218 -7.817 28.690 28.443 825 HZ2 LYS 218 HZ2 LYS 218 -6.932 27.296 28.802 826 HZ3 LYS 218 HZ3 LYS 218 -7.364 27.632 27.206 827 H HIS 219 HN HIS 219 -0.903 28.622 24.095 828 HA HIS 219 HA HIS 219 -2.816 30.525 23.270 829 HB2 HIS 219 HB2 HIS 219 -0.005 30.390 23.135 830 HB3 HIS 219 HB1 HIS 219 -0.478 30.429 21.444 831 HD2 HIS 219 HD2 HIS 219 -1.367 32.541 24.662 832 HE1 HIS 219 HE1 HIS 219 -1.055 35.148 21.371 833 HE2 HIS 219 HE2 HIS 219 -1.268 34.987 23.874 834 H LEU 220 HN LEU 220 -1.646 27.566 21.775 835 HA LEU 220 HA LEU 220 -2.771 27.967 19.193 836 HB2 LEU 220 HB2 LEU 220 -2.140 25.382 20.635 837 HB3 LEU 220 HB1 LEU 220 -2.487 25.524 18.911 838 HG LEU 220 HG LEU 220 -0.132 26.779 20.333 839 HD11 LEU 220 HD11 LEU 220 1.232 25.104 19.236 840 HD12 LEU 220 HD12 LEU 220 -0.213 24.335 18.583 841 HD13 LEU 220 HD13 LEU 220 0.057 24.377 20.329 842 HD21 LEU 220 HD21 LEU 220 -0.793 28.113 18.404 843 HD22 LEU 220 HD22 LEU 220 -0.746 26.683 17.373 844 HD23 LEU 220 HD23 LEU 220 0.733 27.291 18.106 845 H ASP 221 HN ASP 221 -3.939 26.344 22.129 846 HA ASP 221 HA ASP 221 -6.313 25.243 21.114 847 HB2 ASP 221 HB2 ASP 221 -5.550 26.172 23.910 848 HB3 ASP 221 HB1 ASP 221 -7.093 25.403 23.571 849 H SER 222 HN SER 222 -5.548 28.494 22.126 850 HA SER 222 HA SER 222 -8.256 29.513 21.777 851 HB2 SER 222 HB2 SER 222 -6.796 30.492 23.479 852 HB3 SER 222 HB1 SER 222 -5.576 30.881 22.266 853 HG SER 222 HG SER 222 -8.187 31.897 21.980 854 H CYS 223 HN CYS 223 -5.223 29.448 19.938 855 HA CYS 223 HA CYS 223 -6.013 31.512 18.089 856 HB2 CYS 223 HB2 CYS 223 -3.495 29.868 18.435 857 HB3 CYS 223 HB1 CYS 223 -3.707 30.964 17.071 858 H LEU 224 HN LEU 224 -6.114 28.016 18.037 859 HA LEU 224 HA LEU 224 -5.913 27.662 15.191 860 HB2 LEU 224 HB2 LEU 224 -6.473 25.308 15.590 861 HB3 LEU 224 HB1 LEU 224 -5.252 25.863 16.714 862 HG LEU 224 HG LEU 224 -7.272 26.149 18.395 863 HD11 LEU 224 HD11 LEU 224 -8.505 24.100 16.524 864 HD12 LEU 224 HD12 LEU 224 -9.131 25.714 16.863 865 HD13 LEU 224 HD13 LEU 224 -9.087 24.505 18.142 866 HD21 LEU 224 HD21 LEU 224 -6.956 23.863 19.218 867 HD22 LEU 224 HD22 LEU 224 -5.427 24.587 18.729 868 HD23 LEU 224 HD23 LEU 224 -6.215 23.402 17.683 869 H SER 225 HN SER 225 -8.456 28.320 17.439 870 HA SER 225 HA SER 225 -10.668 27.897 15.668 871 HB2 SER 225 HB2 SER 225 -10.882 27.967 18.183 872 HB3 SER 225 HB1 SER 225 -10.506 29.689 18.140 873 HG SER 225 HG SER 225 -12.611 29.838 17.968 874 H ARG 226 HN ARG 226 -9.891 28.885 13.762 875 HA ARG 226 HA ARG 226 -9.228 31.722 13.729 876 HB2 ARG 226 HB2 ARG 226 -7.890 30.123 12.398 877 HB3 ARG 226 HB1 ARG 226 -9.322 29.679 11.473 878 HG2 ARG 226 HG2 ARG 226 -9.457 31.922 10.521 879 HG3 ARG 226 HG1 ARG 226 -8.109 32.463 11.522 880 HD2 ARG 226 HD2 ARG 226 -6.556 31.059 10.333 881 HD3 ARG 226 HD1 ARG 226 -7.866 30.234 9.475 882 HE ARG 226 HE ARG 226 -8.281 32.726 8.677 883 HH11 ARG 226 HH11 ARG 226 -5.212 31.010 8.853 884 HH12 ARG 226 HH12 ARG 226 -4.558 31.819 7.466 885 HH21 ARG 226 HH21 ARG 226 -7.417 33.737 6.871 886 HH22 ARG 226 HH22 ARG 226 -5.808 33.369 6.348 887 H GLU 227 HN GLU 227 -11.245 32.424 14.484 888 HA GLU 227 HA GLU 227 -12.947 33.535 12.584 889 HB2 GLU 227 HB2 GLU 227 -13.891 31.236 12.347 890 HB3 GLU 227 HB1 GLU 227 -14.244 31.195 14.069 891 HG2 GLU 227 HG2 GLU 227 -15.861 33.038 13.788 892 HG3 GLU 227 HG1 GLU 227 -15.482 33.117 12.067 Start of MODEL 19 1 H1 GLY -2 HT1 GLY -2 8.295 1.328 -4.446 2 H2 GLY -2 HT2 GLY -2 7.386 -0.084 -4.534 3 H3 GLY -2 HT3 GLY -2 8.781 -0.043 -3.587 4 HA2 GLY -2 HA1 GLY -2 6.832 0.086 -2.201 5 HA3 GLY -2 HA2 GLY -2 7.770 1.570 -2.123 6 H SER -1 HN SER -1 5.904 2.721 -1.440 7 HA SER -1 HA SER -1 4.191 3.738 -3.521 8 HB2 SER -1 HB2 SER -1 3.035 1.582 -2.880 9 HB3 SER -1 HB1 SER -1 2.864 2.194 -1.237 10 HG SER -1 HG SER -1 1.647 3.954 -2.176 11 H HIS 0 HN HIS 0 5.138 3.571 -0.135 12 HA HIS 0 HA HIS 0 3.802 5.953 0.748 13 HB2 HIS 0 HB2 HIS 0 6.011 4.286 2.022 14 HB3 HIS 0 HB1 HIS 0 5.217 5.637 2.826 15 HD1 HIS 0 HD1 HIS 0 4.877 2.039 2.185 16 HD2 HIS 0 HD2 HIS 0 2.398 5.168 3.345 17 HE1 HIS 0 HE1 HIS 0 2.825 0.964 3.150 18 HE2 HIS 0 HE2 HIS 0 1.300 2.873 3.748 19 H MET 1 HN MET 1 4.525 8.001 0.738 20 HA MET 1 HA MET 1 7.115 8.643 -0.536 21 HB2 MET 1 HB2 MET 1 4.692 10.428 -0.024 22 HB3 MET 1 HB1 MET 1 6.101 10.832 -1.002 23 HG2 MET 1 HG2 MET 1 4.086 8.663 -1.622 24 HG3 MET 1 HG1 MET 1 4.173 10.249 -2.398 25 HE1 MET 1 HE1 MET 1 4.114 8.693 -4.709 26 HE2 MET 1 HE2 MET 1 4.261 7.200 -3.777 27 HE3 MET 1 HE3 MET 1 5.386 7.532 -5.093 28 H GLN 2 HN GLN 2 7.922 10.942 0.345 29 HA GLN 2 HA GLN 2 7.997 10.842 3.298 30 HB2 GLN 2 HB2 GLN 2 10.112 11.643 1.289 31 HB3 GLN 2 HB1 GLN 2 10.197 12.215 2.953 32 HG2 GLN 2 HG2 GLN 2 10.342 9.955 3.794 33 HG3 GLN 2 HG1 GLN 2 10.044 9.296 2.199 34 HE21 GLN 2 HE21 GLN 2 11.942 8.105 2.180 35 HE22 GLN 2 HE22 GLN 2 13.509 8.824 2.066 36 H ILE 3 HN ILE 3 7.797 12.645 4.473 37 HA ILE 3 HA ILE 3 7.304 15.270 3.217 38 HB ILE 3 HB ILE 3 5.466 15.720 4.948 39 HG12 ILE 3 HG12 ILE 3 5.980 13.656 6.391 40 HG13 ILE 3 HG11 ILE 3 4.280 13.945 6.076 41 HG21 ILE 3 HG21 ILE 3 4.894 15.456 2.603 42 HG22 ILE 3 HG22 ILE 3 3.637 14.738 3.613 43 HG23 ILE 3 HG23 ILE 3 4.801 13.702 2.786 44 HD11 ILE 3 HD11 ILE 3 4.813 11.581 5.953 45 HD12 ILE 3 HD12 ILE 3 5.998 11.883 4.682 46 HD13 ILE 3 HD13 ILE 3 4.281 12.175 4.381 47 H PHE 4 HN PHE 4 7.593 17.010 4.776 48 HA PHE 4 HA PHE 4 9.656 16.309 6.793 49 HB2 PHE 4 HB2 PHE 4 9.421 18.843 5.089 50 HB3 PHE 4 HB1 PHE 4 10.679 18.517 6.283 51 HD1 PHE 4 HD1 PHE 4 12.398 16.768 5.851 52 HD2 PHE 4 HD2 PHE 4 9.499 17.795 2.873 53 HE1 PHE 4 HE1 PHE 4 13.739 15.626 4.142 54 HE2 PHE 4 HE2 PHE 4 10.855 16.649 1.168 55 HZ PHE 4 HZ PHE 4 12.972 15.566 1.802 56 H VAL 5 HN VAL 5 8.927 16.578 8.771 57 HA VAL 5 HA VAL 5 7.025 18.752 9.436 58 HB VAL 5 HB VAL 5 7.723 16.145 10.898 59 HG11 VAL 5 HG11 VAL 5 5.920 18.391 11.886 60 HG12 VAL 5 HG12 VAL 5 7.464 17.900 12.583 61 HG13 VAL 5 HG13 VAL 5 6.090 16.799 12.639 62 HG21 VAL 5 HG21 VAL 5 6.121 15.937 9.024 63 HG22 VAL 5 HG22 VAL 5 5.079 17.158 9.754 64 HG23 VAL 5 HG23 VAL 5 5.336 15.611 10.567 65 H LYS 6 HN LYS 6 7.774 20.403 10.707 66 HA LYS 6 HA LYS 6 10.559 20.294 11.709 67 HB2 LYS 6 HB2 LYS 6 10.251 21.660 9.624 68 HB3 LYS 6 HB1 LYS 6 9.082 22.656 10.484 69 HG2 LYS 6 HG2 LYS 6 10.744 24.003 11.211 70 HG3 LYS 6 HG1 LYS 6 11.480 22.654 12.074 71 HD2 LYS 6 HD2 LYS 6 11.981 23.311 9.155 72 HD3 LYS 6 HD1 LYS 6 13.022 23.814 10.488 73 HE2 LYS 6 HE2 LYS 6 13.344 21.373 11.048 74 HE3 LYS 6 HE1 LYS 6 12.460 20.977 9.573 75 HZ1 LYS 6 HZ1 LYS 6 14.972 22.552 9.694 76 HZ2 LYS 6 HZ2 LYS 6 14.141 22.125 8.292 77 HZ3 LYS 6 HZ3 LYS 6 14.856 20.932 9.240 78 H THR 7 HN THR 7 10.678 20.637 13.883 79 HA THR 7 HA THR 7 8.407 21.445 15.423 80 HB THR 7 HB THR 7 10.015 21.420 17.382 81 HG1 THR 7 HG1 THR 7 12.128 20.674 16.964 82 HG21 THR 7 HG21 THR 7 10.435 18.984 17.355 83 HG22 THR 7 HG22 THR 7 10.047 18.940 15.635 84 HG23 THR 7 HG23 THR 7 8.804 19.373 16.805 85 H LEU 8 HN LEU 8 8.573 23.168 17.082 86 HA LEU 8 HA LEU 8 9.118 25.762 16.074 87 HB2 LEU 8 HB2 LEU 8 8.807 24.872 18.968 88 HB3 LEU 8 HB1 LEU 8 8.623 26.512 18.365 89 HG LEU 8 HG LEU 8 6.795 24.172 17.711 90 HD11 LEU 8 HD11 LEU 8 6.295 26.588 19.472 91 HD12 LEU 8 HD12 LEU 8 6.533 24.928 20.023 92 HD13 LEU 8 HD13 LEU 8 5.116 25.338 19.063 93 HD21 LEU 8 HD21 LEU 8 5.333 25.859 16.627 94 HD22 LEU 8 HD22 LEU 8 6.886 25.703 15.811 95 HD23 LEU 8 HD23 LEU 8 6.585 27.085 16.871 96 H THR 9 HN THR 9 11.058 23.450 17.861 97 HA THR 9 HA THR 9 13.243 25.258 18.451 98 HB THR 9 HB THR 9 14.440 23.144 19.152 99 HG1 THR 9 HG1 THR 9 13.427 21.200 18.957 100 HG21 THR 9 HG21 THR 9 12.987 22.653 21.099 101 HG22 THR 9 HG22 THR 9 11.638 23.478 20.313 102 HG23 THR 9 HG23 THR 9 13.068 24.392 20.800 103 H GLY 10 HN GLY 10 12.264 23.333 15.733 104 HA2 GLY 10 HA2 GLY 10 12.945 24.091 13.588 105 HA3 GLY 10 HA1 GLY 10 14.518 24.513 14.235 106 H LYS 11 HN LYS 11 13.445 21.410 15.244 107 HA LYS 11 HA LYS 11 15.492 20.107 13.649 108 HB2 LYS 11 HB2 LYS 11 15.277 18.254 15.053 109 HB3 LYS 11 HB1 LYS 11 14.746 19.537 16.132 110 HG2 LYS 11 HG2 LYS 11 12.381 18.961 15.609 111 HG3 LYS 11 HG1 LYS 11 12.954 17.669 14.560 112 HD2 LYS 11 HD2 LYS 11 13.623 17.765 17.521 113 HD3 LYS 11 HD1 LYS 11 12.135 17.032 16.922 114 HE2 LYS 11 HE2 LYS 11 13.783 15.292 17.261 115 HE3 LYS 11 HE1 LYS 11 13.500 15.472 15.531 116 HZ1 LYS 11 HZ1 LYS 11 15.555 16.645 15.317 117 HZ2 LYS 11 HZ2 LYS 11 15.850 15.209 16.158 118 HZ3 LYS 11 HZ3 LYS 11 15.783 16.674 16.992 119 H THR 12 HN THR 12 15.113 18.404 12.123 120 HA THR 12 HA THR 12 12.533 18.532 10.698 121 HB THR 12 HB THR 12 15.106 17.086 9.912 122 HG1 THR 12 HG1 THR 12 15.838 18.976 9.349 123 HG21 THR 12 HG21 THR 12 12.687 17.867 8.220 124 HG22 THR 12 HG22 THR 12 13.104 16.225 8.713 125 HG23 THR 12 HG23 THR 12 14.165 17.108 7.614 126 H ILE 13 HN ILE 13 11.231 16.812 10.503 127 HA ILE 13 HA ILE 13 11.921 14.164 11.620 128 HB ILE 13 HB ILE 13 9.167 15.473 11.942 129 HG12 ILE 13 HG12 ILE 13 9.977 15.160 14.539 130 HG13 ILE 13 HG11 ILE 13 11.535 15.477 13.806 131 HG21 ILE 13 HG21 ILE 13 9.095 13.034 11.752 132 HG22 ILE 13 HG22 ILE 13 8.643 13.545 13.377 133 HG23 ILE 13 HG23 ILE 13 10.247 12.874 13.079 134 HD11 ILE 13 HD11 ILE 13 10.530 17.496 14.679 135 HD12 ILE 13 HD12 ILE 13 9.121 17.279 13.644 136 HD13 ILE 13 HD13 ILE 13 10.705 17.598 12.928 137 H THR 14 HN THR 14 12.142 13.143 9.654 138 HA THR 14 HA THR 14 10.221 13.648 7.490 139 HB THR 14 HB THR 14 12.780 11.987 7.444 140 HG1 THR 14 HG1 THR 14 13.362 13.924 6.060 141 HG21 THR 14 HG21 THR 14 10.972 12.927 5.171 142 HG22 THR 14 HG22 THR 14 11.149 11.257 5.721 143 HG23 THR 14 HG23 THR 14 12.510 12.090 4.972 144 H LEU 15 HN LEU 15 8.548 12.361 7.219 145 HA LEU 15 HA LEU 15 8.449 9.661 8.456 146 HB2 LEU 15 HB2 LEU 15 6.030 11.193 7.409 147 HB3 LEU 15 HB1 LEU 15 6.050 9.812 8.474 148 HG LEU 15 HG LEU 15 5.421 11.596 9.868 149 HD11 LEU 15 HD11 LEU 15 7.186 10.245 10.902 150 HD12 LEU 15 HD12 LEU 15 7.206 11.904 11.482 151 HD13 LEU 15 HD13 LEU 15 8.412 11.369 10.309 152 HD21 LEU 15 HD21 LEU 15 5.897 13.448 8.354 153 HD22 LEU 15 HD22 LEU 15 7.627 13.305 8.676 154 HD23 LEU 15 HD23 LEU 15 6.522 13.782 9.966 155 H GLU 16 HN GLU 16 7.575 7.950 7.171 156 HA GLU 16 HA GLU 16 7.617 8.418 4.244 157 HB2 GLU 16 HB2 GLU 16 8.509 5.881 5.684 158 HB3 GLU 16 HB1 GLU 16 8.464 6.117 3.936 159 HG2 GLU 16 HG2 GLU 16 10.093 8.068 4.315 160 HG3 GLU 16 HG1 GLU 16 10.287 7.456 5.952 161 H VAL 17 HN VAL 17 5.428 8.879 4.298 162 HA VAL 17 HA VAL 17 3.610 6.575 4.365 163 HB VAL 17 HB VAL 17 1.838 7.735 5.601 164 HG11 VAL 17 HG11 VAL 17 4.383 7.823 7.259 165 HG12 VAL 17 HG12 VAL 17 3.363 6.408 6.995 166 HG13 VAL 17 HG13 VAL 17 2.732 7.793 7.888 167 HG21 VAL 17 HG21 VAL 17 2.167 9.927 6.695 168 HG22 VAL 17 HG22 VAL 17 2.317 10.047 4.942 169 HG23 VAL 17 HG23 VAL 17 3.762 10.061 5.956 170 H GLU 18 HN GLU 18 1.322 7.567 3.563 171 HA GLU 18 HA GLU 18 1.985 8.810 0.974 172 HB2 GLU 18 HB2 GLU 18 -0.740 7.686 1.759 173 HB3 GLU 18 HB1 GLU 18 -0.053 7.891 0.149 174 HG2 GLU 18 HG2 GLU 18 1.752 6.165 1.009 175 HG3 GLU 18 HG1 GLU 18 0.515 5.776 2.203 176 HA PRO 19 HA PRO 19 -0.255 12.675 2.072 177 HB2 PRO 19 HB2 PRO 19 -1.300 13.269 -0.449 178 HB3 PRO 19 HB1 PRO 19 0.323 13.719 0.089 179 HG2 PRO 19 HG2 PRO 19 -0.538 11.368 -1.581 180 HG3 PRO 19 HG1 PRO 19 0.870 12.433 -1.785 181 HD2 PRO 19 HD2 PRO 19 1.117 9.973 -0.702 182 HD3 PRO 19 HD1 PRO 19 2.099 11.333 -0.117 183 H SER 20 HN SER 20 -1.622 9.922 0.361 184 HA SER 20 HA SER 20 -4.392 10.559 1.106 185 HB2 SER 20 HB2 SER 20 -3.835 9.777 -1.225 186 HB3 SER 20 HB1 SER 20 -3.315 8.227 -0.554 187 HG SER 20 HG SER 20 -5.734 8.700 0.395 188 H ASP 21 HN ASP 21 -2.020 9.489 2.903 189 HA ASP 21 HA ASP 21 -2.960 6.948 3.902 190 HB2 ASP 21 HB2 ASP 21 -0.594 7.375 3.953 191 HB3 ASP 21 HB1 ASP 21 -0.817 8.902 4.789 192 H THR 22 HN THR 22 -2.250 9.358 6.355 193 HA THR 22 HA THR 22 -4.635 10.563 6.951 194 HB THR 22 HB THR 22 -5.776 8.434 7.315 195 HG1 THR 22 HG1 THR 22 -6.345 10.073 8.790 196 HG21 THR 22 HG21 THR 22 -3.660 7.745 9.384 197 HG22 THR 22 HG22 THR 22 -3.843 6.984 7.802 198 HG23 THR 22 HG23 THR 22 -5.103 6.799 9.025 199 H ILE 23 HN ILE 23 -4.450 11.860 8.774 200 HA ILE 23 HA ILE 23 -1.847 12.616 9.468 201 HB ILE 23 HB ILE 23 -4.497 13.406 10.764 202 HG12 ILE 23 HG12 ILE 23 -4.365 13.976 8.336 203 HG13 ILE 23 HG11 ILE 23 -4.447 15.416 9.341 204 HG21 ILE 23 HG21 ILE 23 -3.361 15.439 11.638 205 HG22 ILE 23 HG22 ILE 23 -1.813 14.816 11.062 206 HG23 ILE 23 HG23 ILE 23 -2.696 13.957 12.324 207 HD11 ILE 23 HD11 ILE 23 -2.050 15.770 9.037 208 HD12 ILE 23 HD12 ILE 23 -2.890 15.681 7.490 209 HD13 ILE 23 HD13 ILE 23 -1.952 14.304 8.062 210 H GLU 24 HN GLU 24 -4.249 10.698 11.225 211 HA GLU 24 HA GLU 24 -3.026 10.641 13.772 212 HB2 GLU 24 HB2 GLU 24 -5.378 9.952 13.276 213 HB3 GLU 24 HB1 GLU 24 -4.772 8.499 12.490 214 HG2 GLU 24 HG2 GLU 24 -3.828 7.716 14.619 215 HG3 GLU 24 HG1 GLU 24 -4.356 9.200 15.414 216 H ASN 25 HN ASN 25 -2.525 8.725 10.888 217 HA ASN 25 HA ASN 25 -0.754 6.769 12.058 218 HB2 ASN 25 HB2 ASN 25 -2.148 6.454 9.973 219 HB3 ASN 25 HB1 ASN 25 -1.074 7.546 9.133 220 HD21 ASN 25 HD21 ASN 25 0.956 6.825 8.505 221 HD22 ASN 25 HD22 ASN 25 1.439 5.167 8.610 222 H VAL 26 HN VAL 26 -0.450 9.740 10.194 223 HA VAL 26 HA VAL 26 2.321 9.800 9.722 224 HB VAL 26 HB VAL 26 0.487 12.218 10.161 225 HG11 VAL 26 HG11 VAL 26 3.173 12.088 8.722 226 HG12 VAL 26 HG12 VAL 26 2.864 12.874 10.269 227 HG13 VAL 26 HG13 VAL 26 2.118 13.505 8.801 228 HG21 VAL 26 HG21 VAL 26 -0.365 10.749 8.380 229 HG22 VAL 26 HG22 VAL 26 1.191 10.806 7.564 230 HG23 VAL 26 HG23 VAL 26 0.219 12.270 7.709 231 H LYS 27 HN LYS 27 0.418 11.031 12.487 232 HA LYS 27 HA LYS 27 2.647 12.222 13.834 233 HB2 LYS 27 HB2 LYS 27 1.136 12.716 15.651 234 HB3 LYS 27 HB1 LYS 27 0.338 13.056 14.122 235 HG2 LYS 27 HG2 LYS 27 -0.927 10.937 14.317 236 HG3 LYS 27 HG1 LYS 27 -0.136 10.617 15.862 237 HD2 LYS 27 HD2 LYS 27 -2.357 11.553 16.253 238 HD3 LYS 27 HD1 LYS 27 -1.123 12.689 16.799 239 HE2 LYS 27 HE2 LYS 27 -1.394 13.891 14.575 240 HE3 LYS 27 HE1 LYS 27 -2.778 12.844 14.268 241 HZ1 LYS 27 HZ1 LYS 27 -3.828 13.688 16.265 242 HZ2 LYS 27 HZ2 LYS 27 -3.466 14.952 15.206 243 HZ3 LYS 27 HZ3 LYS 27 -2.505 14.697 16.568 244 H ALA 28 HN ALA 28 1.048 9.063 14.007 245 HA ALA 28 HA ALA 28 2.447 7.952 16.185 246 HB1 ALA 28 HB1 ALA 28 1.997 5.764 15.132 247 HB2 ALA 28 HB2 ALA 28 1.571 6.568 13.618 248 HB3 ALA 28 HB3 ALA 28 0.576 6.807 15.054 249 H LYS 29 HN LYS 29 3.407 8.479 12.817 250 HA LYS 29 HA LYS 29 5.940 7.167 13.007 251 HB2 LYS 29 HB2 LYS 29 5.136 9.276 10.973 252 HB3 LYS 29 HB1 LYS 29 6.438 8.103 10.820 253 HG2 LYS 29 HG2 LYS 29 3.466 7.557 10.798 254 HG3 LYS 29 HG1 LYS 29 4.590 7.420 9.447 255 HD2 LYS 29 HD2 LYS 29 5.733 5.545 10.581 256 HD3 LYS 29 HD1 LYS 29 4.631 5.693 11.955 257 HE2 LYS 29 HE2 LYS 29 2.725 5.158 10.484 258 HE3 LYS 29 HE1 LYS 29 3.826 5.012 9.114 259 HZ1 LYS 29 HZ1 LYS 29 3.324 2.852 9.993 260 HZ2 LYS 29 HZ2 LYS 29 3.802 3.317 11.547 261 HZ3 LYS 29 HZ3 LYS 29 4.946 3.204 10.313 262 H ILE 30 HN ILE 30 4.951 10.655 13.438 263 HA ILE 30 HA ILE 30 7.549 11.702 13.743 264 HB ILE 30 HB ILE 30 4.942 12.635 15.038 265 HG12 ILE 30 HG12 ILE 30 5.600 14.781 13.615 266 HG13 ILE 30 HG11 ILE 30 6.674 13.685 12.763 267 HG21 ILE 30 HG21 ILE 30 6.114 14.662 15.869 268 HG22 ILE 30 HG22 ILE 30 7.660 13.948 15.401 269 HG23 ILE 30 HG23 ILE 30 6.681 13.191 16.659 270 HD11 ILE 30 HD11 ILE 30 3.689 13.454 12.960 271 HD12 ILE 30 HD12 ILE 30 4.757 12.352 12.085 272 HD13 ILE 30 HD13 ILE 30 4.614 14.035 11.577 273 H GLN 31 HN GLN 31 5.443 10.123 16.119 274 HA GLN 31 HA GLN 31 7.135 10.154 18.356 275 HB2 GLN 31 HB2 GLN 31 4.766 9.525 18.505 276 HB3 GLN 31 HB1 GLN 31 5.043 8.101 17.509 277 HG2 GLN 31 HG2 GLN 31 6.448 7.118 19.274 278 HG3 GLN 31 HG1 GLN 31 6.229 8.556 20.267 279 HE21 GLN 31 HE21 GLN 31 3.618 7.061 18.382 280 HE22 GLN 31 HE22 GLN 31 2.695 6.557 19.753 281 H ASP 32 HN ASP 32 6.976 7.886 15.622 282 HA ASP 32 HA ASP 32 8.902 6.010 16.539 283 HB2 ASP 32 HB2 ASP 32 7.340 5.470 14.735 284 HB3 ASP 32 HB1 ASP 32 8.011 6.729 13.712 285 H LYS 33 HN LYS 33 9.249 9.166 15.014 286 HA LYS 33 HA LYS 33 12.010 8.634 14.154 287 HB2 LYS 33 HB2 LYS 33 10.322 11.122 13.710 288 HB3 LYS 33 HB1 LYS 33 11.902 10.813 12.996 289 HG2 LYS 33 HG2 LYS 33 9.337 9.298 12.446 290 HG3 LYS 33 HG1 LYS 33 10.148 10.426 11.361 291 HD2 LYS 33 HD2 LYS 33 11.991 8.928 11.043 292 HD3 LYS 33 HD1 LYS 33 11.446 7.862 12.346 293 HE2 LYS 33 HE2 LYS 33 9.377 7.388 10.959 294 HE3 LYS 33 HE1 LYS 33 10.141 8.281 9.637 295 HZ1 LYS 33 HZ1 LYS 33 11.983 6.721 9.713 296 HZ2 LYS 33 HZ2 LYS 33 10.528 5.909 9.441 297 HZ3 LYS 33 HZ3 LYS 33 11.244 5.867 10.971 298 H GLU 34 HN GLU 34 10.465 11.457 15.854 299 HA GLU 34 HA GLU 34 13.045 12.142 16.987 300 HB2 GLU 34 HB2 GLU 34 11.998 14.127 17.921 301 HB3 GLU 34 HB1 GLU 34 11.616 13.971 16.215 302 HG2 GLU 34 HG2 GLU 34 9.347 13.252 16.748 303 HG3 GLU 34 HG1 GLU 34 9.718 13.253 18.473 304 H GLY 35 HN GLY 35 10.213 10.424 18.027 305 HA2 GLY 35 HA2 GLY 35 10.272 8.812 19.746 306 HA3 GLY 35 HA1 GLY 35 11.625 9.648 20.497 307 H ILE 36 HN ILE 36 8.904 11.535 19.499 308 HA ILE 36 HA ILE 36 8.141 11.960 22.328 309 HB ILE 36 HB ILE 36 8.195 13.879 19.948 310 HG12 ILE 36 HG12 ILE 36 9.352 15.399 21.653 311 HG13 ILE 36 HG11 ILE 36 9.325 14.067 22.794 312 HG21 ILE 36 HG21 ILE 36 6.956 15.571 21.276 313 HG22 ILE 36 HG22 ILE 36 6.687 14.379 22.552 314 HG23 ILE 36 HG23 ILE 36 5.958 14.146 20.964 315 HD11 ILE 36 HD11 ILE 36 10.825 14.144 20.187 316 HD12 ILE 36 HD12 ILE 36 10.819 12.798 21.328 317 HD13 ILE 36 HD13 ILE 36 11.505 14.352 21.799 318 HA PRO 37 HA PRO 37 4.422 9.799 21.142 319 HB2 PRO 37 HB2 PRO 37 2.829 10.292 23.309 320 HB3 PRO 37 HB1 PRO 37 4.249 9.240 23.408 321 HG2 PRO 37 HG2 PRO 37 4.004 12.158 24.151 322 HG3 PRO 37 HG1 PRO 37 4.721 10.823 25.087 323 HD2 PRO 37 HD2 PRO 37 6.255 12.523 23.638 324 HD3 PRO 37 HD1 PRO 37 6.684 10.810 23.807 325 HA PRO 38 HA PRO 38 1.822 12.545 18.872 326 HB2 PRO 38 HB2 PRO 38 -0.653 11.306 18.887 327 HB3 PRO 38 HB1 PRO 38 0.732 10.717 17.957 328 HG2 PRO 38 HG2 PRO 38 -0.226 9.827 20.683 329 HG3 PRO 38 HG1 PRO 38 0.232 8.831 19.280 330 HD2 PRO 38 HD2 PRO 38 1.957 9.229 21.298 331 HD3 PRO 38 HD1 PRO 38 2.532 9.195 19.617 332 H ASP 39 HN ASP 39 0.999 11.981 22.151 333 HA ASP 39 HA ASP 39 -1.022 14.020 22.397 334 HB2 ASP 39 HB2 ASP 39 -0.570 12.006 23.995 335 HB3 ASP 39 HB1 ASP 39 0.717 12.990 24.684 336 H GLN 40 HN GLN 40 2.516 13.853 22.920 337 HA GLN 40 HA GLN 40 2.649 16.547 24.033 338 HB2 GLN 40 HB2 GLN 40 4.584 14.260 23.790 339 HB3 GLN 40 HB1 GLN 40 5.258 15.864 23.932 340 HG2 GLN 40 HG2 GLN 40 5.094 14.642 26.099 341 HG3 GLN 40 HG1 GLN 40 4.263 16.191 26.093 342 HE21 GLN 40 HE21 GLN 40 3.849 12.733 26.173 343 HE22 GLN 40 HE22 GLN 40 2.186 12.737 26.635 344 H GLN 41 HN GLN 41 3.251 15.045 20.966 345 HA GLN 41 HA GLN 41 4.267 17.603 19.885 346 HB2 GLN 41 HB2 GLN 41 4.865 16.258 17.857 347 HB3 GLN 41 HB1 GLN 41 5.712 15.804 19.321 348 HG2 GLN 41 HG2 GLN 41 5.250 13.698 18.572 349 HG3 GLN 41 HG1 GLN 41 3.754 13.976 19.436 350 HE21 GLN 41 HE21 GLN 41 3.210 12.198 17.913 351 HE22 GLN 41 HE22 GLN 41 2.556 12.638 16.388 352 H ARG 42 HN ARG 42 3.090 18.774 18.426 353 HA ARG 42 HA ARG 42 0.266 17.969 18.007 354 HB2 ARG 42 HB2 ARG 42 0.788 19.730 19.813 355 HB3 ARG 42 HB1 ARG 42 1.287 20.803 18.508 356 HG2 ARG 42 HG2 ARG 42 -0.973 20.789 17.582 357 HG3 ARG 42 HG1 ARG 42 -1.482 19.590 18.776 358 HD2 ARG 42 HD2 ARG 42 -0.829 21.296 20.568 359 HD3 ARG 42 HD1 ARG 42 -0.704 22.480 19.259 360 HE ARG 42 HE ARG 42 -3.175 21.369 18.924 361 HH11 ARG 42 HH11 ARG 42 -1.645 23.071 21.591 362 HH12 ARG 42 HH12 ARG 42 -3.153 23.584 22.276 363 HH21 ARG 42 HH21 ARG 42 -5.130 22.048 19.849 364 HH22 ARG 42 HH22 ARG 42 -5.112 23.007 21.302 365 H LEU 43 HN LEU 43 -0.526 18.200 15.972 366 HA LEU 43 HA LEU 43 1.367 18.920 13.843 367 HB2 LEU 43 HB2 LEU 43 -1.113 17.189 13.994 368 HB3 LEU 43 HB1 LEU 43 -0.630 17.823 12.435 369 HG LEU 43 HG LEU 43 0.210 15.555 12.688 370 HD11 LEU 43 HD11 LEU 43 1.551 17.177 11.409 371 HD12 LEU 43 HD12 LEU 43 2.561 15.932 12.147 372 HD13 LEU 43 HD13 LEU 43 2.492 17.550 12.856 373 HD21 LEU 43 HD21 LEU 43 1.700 16.529 15.155 374 HD22 LEU 43 HD22 LEU 43 1.852 14.933 14.414 375 HD23 LEU 43 HD23 LEU 43 0.322 15.423 15.137 376 H ILE 44 HN ILE 44 1.265 20.860 12.965 377 HA ILE 44 HA ILE 44 -1.317 22.138 12.364 378 HB ILE 44 HB ILE 44 0.970 23.502 13.881 379 HG12 ILE 44 HG12 ILE 44 -1.971 23.202 14.703 380 HG13 ILE 44 HG11 ILE 44 -0.688 22.132 15.243 381 HG21 ILE 44 HG21 ILE 44 -0.360 25.605 13.793 382 HG22 ILE 44 HG22 ILE 44 -1.531 24.814 12.733 383 HG23 ILE 44 HG23 ILE 44 0.124 25.067 12.185 384 HD11 ILE 44 HD11 ILE 44 -0.868 25.074 15.805 385 HD12 ILE 44 HD12 ILE 44 0.398 23.976 16.370 386 HD13 ILE 44 HD13 ILE 44 -1.266 23.762 16.914 387 H PHE 45 HN PHE 45 -1.312 22.831 10.290 388 HA PHE 45 HA PHE 45 1.236 23.456 8.888 389 HB2 PHE 45 HB2 PHE 45 0.343 21.337 8.058 390 HB3 PHE 45 HB1 PHE 45 -1.252 22.040 7.844 391 HD1 PHE 45 HD2 PHE 45 2.281 22.401 6.629 392 HD2 PHE 45 HD1 PHE 45 -1.870 22.856 5.693 393 HE1 PHE 45 HE2 PHE 45 2.862 22.882 4.293 394 HE2 PHE 45 HE1 PHE 45 -1.275 23.346 3.357 395 HZ PHE 45 HZ PHE 45 1.085 23.356 2.651 396 H ALA 46 HN ALA 46 1.314 25.506 8.271 397 HA ALA 46 HA ALA 46 0.865 27.581 7.516 398 HB1 ALA 46 HB1 ALA 46 -0.205 26.428 5.618 399 HB2 ALA 46 HB2 ALA 46 -1.036 27.941 5.980 400 HB3 ALA 46 HB3 ALA 46 -1.743 26.403 6.481 401 H GLY 47 HN GLY 47 -0.280 26.559 10.212 402 HA2 GLY 47 HA2 GLY 47 -0.915 27.965 12.010 403 HA3 GLY 47 HA1 GLY 47 -1.765 29.019 10.892 404 H LYS 48 HN LYS 48 -2.756 26.118 9.832 405 HA LYS 48 HA LYS 48 -5.135 26.013 11.577 406 HB2 LYS 48 HB2 LYS 48 -6.302 24.990 9.797 407 HB3 LYS 48 HB1 LYS 48 -5.240 26.109 8.959 408 HG2 LYS 48 HG2 LYS 48 -3.649 24.033 8.710 409 HG3 LYS 48 HG1 LYS 48 -5.079 23.091 9.107 410 HD2 LYS 48 HD2 LYS 48 -4.888 23.154 6.718 411 HD3 LYS 48 HD1 LYS 48 -6.256 24.179 7.158 412 HE2 LYS 48 HE2 LYS 48 -4.844 26.179 6.881 413 HE3 LYS 48 HE1 LYS 48 -3.464 25.157 6.467 414 HZ1 LYS 48 HZ1 LYS 48 -4.564 26.065 4.511 415 HZ2 LYS 48 HZ2 LYS 48 -6.006 25.306 4.950 416 HZ3 LYS 48 HZ3 LYS 48 -4.660 24.378 4.533 417 H GLN 49 HN GLN 49 -5.488 24.264 12.939 418 HA GLN 49 HA GLN 49 -3.343 22.379 13.377 419 HB2 GLN 49 HB2 GLN 49 -4.701 23.243 15.277 420 HB3 GLN 49 HB1 GLN 49 -6.136 22.462 14.616 421 HG2 GLN 49 HG2 GLN 49 -4.999 20.239 14.889 422 HG3 GLN 49 HG1 GLN 49 -3.639 21.060 15.643 423 HE21 GLN 49 HE21 GLN 49 -6.993 20.103 16.048 424 HE22 GLN 49 HE22 GLN 49 -7.058 20.379 17.753 425 H LEU 50 HN LEU 50 -3.160 20.350 12.580 426 HA LEU 50 HA LEU 50 -4.990 19.381 10.585 427 HB2 LEU 50 HB2 LEU 50 -2.703 17.875 11.892 428 HB3 LEU 50 HB1 LEU 50 -3.482 17.506 10.359 429 HG LEU 50 HG LEU 50 -1.654 19.855 10.975 430 HD11 LEU 50 HD11 LEU 50 -1.362 17.565 9.023 431 HD12 LEU 50 HD12 LEU 50 -0.492 17.767 10.545 432 HD13 LEU 50 HD13 LEU 50 -0.230 18.906 9.227 433 HD21 LEU 50 HD21 LEU 50 -1.978 20.591 8.630 434 HD22 LEU 50 HD22 LEU 50 -3.452 20.730 9.577 435 HD23 LEU 50 HD23 LEU 50 -3.260 19.397 8.437 436 H GLU 51 HN GLU 51 -6.104 17.307 10.687 437 HA GLU 51 HA GLU 51 -7.122 16.661 13.393 438 HB2 GLU 51 HB2 GLU 51 -8.800 17.866 12.060 439 HB3 GLU 51 HB1 GLU 51 -8.583 16.754 10.715 440 HG2 GLU 51 HG2 GLU 51 -9.584 14.941 11.961 441 HG3 GLU 51 HG1 GLU 51 -9.632 15.911 13.428 442 H ASP 52 HN ASP 52 -7.299 14.508 13.923 443 HA ASP 52 HA ASP 52 -5.399 12.734 12.882 444 HB2 ASP 52 HB2 ASP 52 -7.783 12.261 14.721 445 HB3 ASP 52 HB1 ASP 52 -6.573 11.021 14.388 446 H GLY 53 HN GLY 53 -8.912 12.834 12.436 447 HA2 GLY 53 HA2 GLY 53 -9.191 10.358 11.066 448 HA3 GLY 53 HA1 GLY 53 -10.378 11.646 11.151 449 H ARG 54 HN ARG 54 -8.357 13.574 9.971 450 HA ARG 54 HA ARG 54 -9.040 13.128 7.187 451 HB2 ARG 54 HB2 ARG 54 -7.539 15.379 8.570 452 HB3 ARG 54 HB1 ARG 54 -7.940 15.376 6.850 453 HG2 ARG 54 HG2 ARG 54 -10.360 15.218 7.479 454 HG3 ARG 54 HG1 ARG 54 -9.897 15.370 9.172 455 HD2 ARG 54 HD2 ARG 54 -8.930 17.557 8.727 456 HD3 ARG 54 HD1 ARG 54 -9.329 17.436 7.013 457 HE ARG 54 HE ARG 54 -11.429 17.364 9.097 458 HH11 ARG 54 HH11 ARG 54 -10.092 18.867 6.209 459 HH12 ARG 54 HH12 ARG 54 -11.454 19.921 5.999 460 HH21 ARG 54 HH21 ARG 54 -13.181 18.755 8.795 461 HH22 ARG 54 HH22 ARG 54 -13.201 19.848 7.451 462 H THR 55 HN THR 55 -7.213 13.844 5.572 463 HA THR 55 HA THR 55 -4.770 12.222 6.074 464 HB THR 55 HB THR 55 -4.557 12.100 3.579 465 HG1 THR 55 HG1 THR 55 -7.194 13.152 3.417 466 HG21 THR 55 HG21 THR 55 -6.371 10.512 3.135 467 HG22 THR 55 HG22 THR 55 -7.247 11.081 4.558 468 HG23 THR 55 HG23 THR 55 -5.699 10.249 4.746 469 H LEU 56 HN LEU 56 -2.847 13.043 4.858 470 HA LEU 56 HA LEU 56 -2.134 15.710 5.390 471 HB2 LEU 56 HB2 LEU 56 -1.017 13.734 3.346 472 HB3 LEU 56 HB1 LEU 56 -0.263 15.284 3.690 473 HG LEU 56 HG LEU 56 -0.616 13.058 5.751 474 HD11 LEU 56 HD11 LEU 56 1.790 12.625 5.483 475 HD12 LEU 56 HD12 LEU 56 1.878 13.816 4.182 476 HD13 LEU 56 HD13 LEU 56 0.926 12.343 3.973 477 HD21 LEU 56 HD21 LEU 56 -0.476 15.312 6.765 478 HD22 LEU 56 HD22 LEU 56 1.026 15.625 5.897 479 HD23 LEU 56 HD23 LEU 56 0.961 14.361 7.129 480 H SER 57 HN SER 57 -3.076 14.177 2.321 481 HA SER 57 HA SER 57 -3.005 16.431 0.647 482 HB2 SER 57 HB2 SER 57 -2.916 14.062 -0.137 483 HB3 SER 57 HB1 SER 57 -4.610 13.864 0.298 484 HG SER 57 HG SER 57 -4.229 14.341 -1.953 485 H ASP 58 HN ASP 58 -5.410 15.396 2.956 486 HA ASP 58 HA ASP 58 -7.710 16.707 1.871 487 HB2 ASP 58 HB2 ASP 58 -7.753 14.978 3.716 488 HB3 ASP 58 HB1 ASP 58 -7.054 16.165 4.811 489 H TYR 59 HN TYR 59 -5.102 17.662 4.068 490 HA TYR 59 HA TYR 59 -6.034 20.426 4.252 491 HB2 TYR 59 HB2 TYR 59 -3.896 18.788 5.630 492 HB3 TYR 59 HB1 TYR 59 -3.857 20.538 5.732 493 HD1 TYR 59 HD2 TYR 59 -6.214 21.632 6.406 494 HD2 TYR 59 HD1 TYR 59 -5.032 17.638 7.354 495 HE1 TYR 59 HE2 TYR 59 -7.790 21.621 8.274 496 HE2 TYR 59 HE1 TYR 59 -6.620 17.629 9.226 497 HH TYR 59 HH TYR 59 -7.725 19.332 10.719 498 H ASN 60 HN ASN 60 -4.814 18.998 1.771 499 HA ASN 60 HA ASN 60 -3.722 19.569 -0.104 500 HB2 ASN 60 HB2 ASN 60 -3.365 22.300 1.193 501 HB3 ASN 60 HB1 ASN 60 -3.034 21.944 -0.498 502 HD21 ASN 60 HD21 ASN 60 -5.556 22.239 1.930 503 HD22 ASN 60 HD22 ASN 60 -6.866 22.431 0.818 504 H ILE 61 HN ILE 61 -2.310 18.659 2.439 505 HA ILE 61 HA ILE 61 0.472 19.451 2.066 506 HB ILE 61 HB ILE 61 -0.658 17.241 3.839 507 HG12 ILE 61 HG12 ILE 61 -0.033 20.057 4.812 508 HG13 ILE 61 HG11 ILE 61 -1.635 19.588 4.257 509 HG21 ILE 61 HG21 ILE 61 1.773 17.069 3.497 510 HG22 ILE 61 HG22 ILE 61 1.409 17.494 5.168 511 HG23 ILE 61 HG23 ILE 61 1.987 18.732 4.052 512 HD11 ILE 61 HD11 ILE 61 -0.165 18.270 6.538 513 HD12 ILE 61 HD12 ILE 61 -1.819 17.930 5.995 514 HD13 ILE 61 HD13 ILE 61 -1.418 19.503 6.690 515 H GLN 62 HN GLN 62 1.194 18.658 0.150 516 HA GLN 62 HA GLN 62 0.699 15.898 -0.711 517 HB2 GLN 62 HB2 GLN 62 2.033 16.506 -2.708 518 HB3 GLN 62 HB1 GLN 62 0.718 17.639 -2.445 519 HG2 GLN 62 HG2 GLN 62 2.194 19.357 -1.705 520 HG3 GLN 62 HG1 GLN 62 3.532 18.230 -1.501 521 HE21 GLN 62 HE21 GLN 62 4.665 17.511 -3.324 522 HE22 GLN 62 HE22 GLN 62 4.576 18.345 -4.839 523 H LYS 63 HN LYS 63 2.898 14.832 -1.627 524 HA LYS 63 HA LYS 63 4.696 14.346 0.495 525 HB2 LYS 63 HB2 LYS 63 6.129 13.220 -1.151 526 HB3 LYS 63 HB1 LYS 63 4.450 12.735 -1.337 527 HG2 LYS 63 HG2 LYS 63 4.219 14.156 -3.312 528 HG3 LYS 63 HG1 LYS 63 5.860 14.768 -3.101 529 HD2 LYS 63 HD2 LYS 63 5.127 11.870 -3.683 530 HD3 LYS 63 HD1 LYS 63 5.714 13.026 -4.879 531 HE2 LYS 63 HE2 LYS 63 7.839 13.229 -3.626 532 HE3 LYS 63 HE1 LYS 63 7.259 12.050 -2.446 533 HZ1 LYS 63 HZ1 LYS 63 7.657 11.537 -5.344 534 HZ2 LYS 63 HZ2 LYS 63 7.149 10.401 -4.203 535 HZ3 LYS 63 HZ3 LYS 63 8.708 11.050 -4.112 536 H GLU 64 HN GLU 64 6.730 15.113 0.912 537 HA GLU 64 HA GLU 64 8.547 16.403 1.041 538 HB2 GLU 64 HB2 GLU 64 7.786 17.731 -1.586 539 HB3 GLU 64 HB1 GLU 64 9.360 17.789 -0.802 540 HG2 GLU 64 HG2 GLU 64 8.057 15.332 -2.025 541 HG3 GLU 64 HG1 GLU 64 9.361 16.279 -2.737 542 H SER 65 HN SER 65 5.394 17.488 1.240 543 HA SER 65 HA SER 65 5.770 20.306 1.529 544 HB2 SER 65 HB2 SER 65 3.576 18.517 2.641 545 HB3 SER 65 HB1 SER 65 3.535 20.283 2.648 546 HG SER 65 HG SER 65 3.666 18.587 0.388 547 H THR 66 HN THR 66 6.404 21.490 3.238 548 HA THR 66 HA THR 66 7.185 20.117 5.713 549 HB THR 66 HB THR 66 7.945 22.933 4.836 550 HG1 THR 66 HG1 THR 66 8.701 20.654 3.740 551 HG21 THR 66 HG21 THR 66 8.223 22.482 7.279 552 HG22 THR 66 HG22 THR 66 9.782 22.674 6.474 553 HG23 THR 66 HG23 THR 66 9.201 21.062 6.899 554 H LEU 67 HN LEU 67 6.389 20.705 7.679 555 HA LEU 67 HA LEU 67 4.392 22.847 7.922 556 HB2 LEU 67 HB2 LEU 67 2.838 21.316 9.156 557 HB3 LEU 67 HB1 LEU 67 2.951 20.983 7.444 558 HG LEU 67 HG LEU 67 4.595 19.338 9.388 559 HD11 LEU 67 HD11 LEU 67 1.692 18.789 8.695 560 HD12 LEU 67 HD12 LEU 67 2.311 19.266 10.277 561 HD13 LEU 67 HD13 LEU 67 2.772 17.712 9.588 562 HD21 LEU 67 HD21 LEU 67 3.352 18.647 6.693 563 HD22 LEU 67 HD22 LEU 67 4.377 17.590 7.669 564 HD23 LEU 67 HD23 LEU 67 5.048 19.061 6.972 565 H HIS 68 HN HIS 68 3.657 22.892 10.338 566 HA HIS 68 HA HIS 68 6.144 23.056 11.920 567 HB2 HIS 68 HB2 HIS 68 3.441 24.439 12.271 568 HB3 HIS 68 HB1 HIS 68 4.781 24.592 13.408 569 HD1 HIS 68 HD1 HIS 68 6.144 26.629 13.038 570 HD2 HIS 68 HD2 HIS 68 4.448 25.284 9.489 571 HE1 HIS 68 HE1 HIS 68 6.800 28.301 11.293 572 HE2 HIS 68 HE2 HIS 68 5.837 27.430 9.150 573 H LEU 69 HN LEU 69 6.296 22.282 13.974 574 HA LEU 69 HA LEU 69 4.271 20.368 14.971 575 HB2 LEU 69 HB2 LEU 69 6.333 19.347 13.796 576 HB3 LEU 69 HB1 LEU 69 7.296 19.977 15.104 577 HG LEU 69 HG LEU 69 6.795 17.533 15.289 578 HD11 LEU 69 HD11 LEU 69 6.278 17.455 17.638 579 HD12 LEU 69 HD12 LEU 69 5.593 19.080 17.595 580 HD13 LEU 69 HD13 LEU 69 7.318 18.838 17.321 581 HD21 LEU 69 HD21 LEU 69 4.550 16.755 15.885 582 HD22 LEU 69 HD22 LEU 69 4.555 17.518 14.299 583 HD23 LEU 69 HD23 LEU 69 3.909 18.388 15.694 584 H VAL 70 HN VAL 70 3.748 20.819 17.013 585 HA VAL 70 HA VAL 70 5.371 22.764 18.550 586 HB VAL 70 HB VAL 70 2.384 22.152 18.723 587 HG11 VAL 70 HG11 VAL 70 3.293 22.687 20.958 588 HG12 VAL 70 HG12 VAL 70 2.270 23.996 20.381 589 HG13 VAL 70 HG13 VAL 70 4.024 24.165 20.328 590 HG21 VAL 70 HG21 VAL 70 2.110 24.454 17.828 591 HG22 VAL 70 HG22 VAL 70 3.025 23.447 16.713 592 HG23 VAL 70 HG23 VAL 70 3.862 24.631 17.719 593 H LEU 71 HN LEU 71 6.308 22.097 20.322 594 HA LEU 71 HA LEU 71 5.949 19.381 21.340 595 HB2 LEU 71 HB2 LEU 71 7.867 21.595 22.209 596 HB3 LEU 71 HB1 LEU 71 7.941 19.904 22.676 597 HG LEU 71 HG LEU 71 8.328 20.914 19.831 598 HD11 LEU 71 HD11 LEU 71 10.186 21.648 21.260 599 HD12 LEU 71 HD12 LEU 71 10.714 20.417 20.116 600 HD13 LEU 71 HD13 LEU 71 10.437 19.985 21.805 601 HD21 LEU 71 HD21 LEU 71 7.436 18.617 19.894 602 HD22 LEU 71 HD22 LEU 71 8.741 18.126 20.976 603 HD23 LEU 71 HD23 LEU 71 9.105 18.627 19.324 604 H ARG 72 HN ARG 72 5.319 18.905 23.450 605 HA ARG 72 HA ARG 72 4.163 21.024 25.199 606 HB2 ARG 72 HB2 ARG 72 2.857 18.337 24.618 607 HB3 ARG 72 HB1 ARG 72 2.190 19.637 25.601 608 HG2 ARG 72 HG2 ARG 72 1.820 21.006 23.622 609 HG3 ARG 72 HG1 ARG 72 2.639 19.821 22.600 610 HD2 ARG 72 HD2 ARG 72 0.254 19.569 22.324 611 HD3 ARG 72 HD1 ARG 72 0.861 18.157 23.189 612 HE ARG 72 HE ARG 72 -0.587 20.418 24.419 613 HH11 ARG 72 HH11 ARG 72 0.275 17.014 24.535 614 HH12 ARG 72 HH12 ARG 72 -0.841 16.662 25.812 615 HH21 ARG 72 HH21 ARG 72 -2.032 19.935 26.076 616 HH22 ARG 72 HH22 ARG 72 -2.119 18.322 26.700 617 H LEU 73 HN LEU 73 6.466 18.872 24.966 618 HA LEU 73 HA LEU 73 6.388 16.663 26.386 619 HB2 LEU 73 HB2 LEU 73 8.638 18.650 26.170 620 HB3 LEU 73 HB1 LEU 73 8.861 17.198 27.122 621 HG LEU 73 HG LEU 73 9.809 16.859 24.914 622 HD11 LEU 73 HD11 LEU 73 8.677 14.798 24.233 623 HD12 LEU 73 HD12 LEU 73 7.263 15.231 25.193 624 HD13 LEU 73 HD13 LEU 73 8.804 14.902 25.985 625 HD21 LEU 73 HD21 LEU 73 8.509 18.472 23.618 626 HD22 LEU 73 HD22 LEU 73 7.072 17.456 23.743 627 HD23 LEU 73 HD23 LEU 73 8.484 16.889 22.845 628 H ARG 74 HN ARG 74 5.400 16.222 28.184 629 HA ARG 74 HA ARG 74 5.154 17.984 30.445 630 HB2 ARG 74 HB2 ARG 74 4.331 15.058 30.142 631 HB3 ARG 74 HB1 ARG 74 3.795 16.152 31.412 632 HG2 ARG 74 HG2 ARG 74 3.163 16.449 28.458 633 HG3 ARG 74 HG1 ARG 74 2.071 15.791 29.677 634 HD2 ARG 74 HD2 ARG 74 3.135 18.638 29.574 635 HD3 ARG 74 HD1 ARG 74 1.500 18.117 29.156 636 HE ARG 74 HE ARG 74 2.149 17.336 31.814 637 HH11 ARG 74 HH11 ARG 74 1.178 20.186 29.977 638 HH12 ARG 74 HH12 ARG 74 0.525 20.990 31.369 639 HH21 ARG 74 HH21 ARG 74 1.274 18.404 33.601 640 HH22 ARG 74 HH22 ARG 74 0.579 19.980 33.417 641 H GLY 75 HN GLY 75 6.445 14.694 30.068 642 HA2 GLY 75 HA2 GLY 75 8.135 14.889 32.449 643 HA3 GLY 75 HA1 GLY 75 7.843 13.459 31.465 644 H GLY 76 HN GLY 76 8.621 16.219 29.600 645 HA2 GLY 76 HA2 GLY 76 10.480 16.941 28.477 646 HA3 GLY 76 HA1 GLY 76 11.468 16.165 29.705 647 H1 GLY 195 HN GLY 195 18.901 14.833 28.615 648 HA2 GLY 195 HA2 GLY 195 17.998 17.248 27.377 649 HA3 GLY 195 HA1 GLY 195 17.002 15.886 27.875 650 H SER 196 HN SER 196 18.584 18.818 28.964 651 HA SER 196 HA SER 196 17.464 18.928 31.594 652 HB2 SER 196 HB2 SER 196 18.620 21.163 29.867 653 HB3 SER 196 HB1 SER 196 18.361 21.235 31.612 654 HG SER 196 HG SER 196 19.964 19.211 30.459 655 H ARG 197 HN ARG 197 15.249 18.675 31.492 656 HA ARG 197 HA ARG 197 13.465 20.053 29.771 657 HB2 ARG 197 HB2 ARG 197 12.775 17.983 30.906 658 HB3 ARG 197 HB1 ARG 197 12.975 18.737 32.484 659 HG2 ARG 197 HG2 ARG 197 11.123 20.312 31.944 660 HG3 ARG 197 HG1 ARG 197 10.891 19.490 30.399 661 HD2 ARG 197 HD2 ARG 197 9.261 18.769 32.127 662 HD3 ARG 197 HD1 ARG 197 10.263 17.426 31.562 663 HE ARG 197 HE ARG 197 11.416 18.625 33.858 664 HH11 ARG 197 HH11 ARG 197 8.686 16.579 33.008 665 HH12 ARG 197 HH12 ARG 197 8.680 15.762 34.537 666 HH21 ARG 197 HH21 ARG 197 11.406 17.503 35.839 667 HH22 ARG 197 HH22 ARG 197 10.224 16.269 36.134 668 H GLN 198 HN GLN 198 12.857 22.098 29.820 669 HA GLN 198 HA GLN 198 12.469 23.615 32.262 670 HB2 GLN 198 HB2 GLN 198 13.966 25.503 31.498 671 HB3 GLN 198 HB1 GLN 198 14.840 24.044 31.947 672 HG2 GLN 198 HG2 GLN 198 15.102 23.453 29.566 673 HG3 GLN 198 HG1 GLN 198 14.234 24.918 29.104 674 HE21 GLN 198 HE21 GLN 198 17.013 24.004 28.545 675 HE22 GLN 198 HE22 GLN 198 18.025 25.305 29.064 676 H VAL 199 HN VAL 199 11.697 25.850 31.681 677 HA VAL 199 HA VAL 199 9.449 25.619 29.928 678 HB VAL 199 HB VAL 199 9.285 26.751 32.094 679 HG11 VAL 199 HG11 VAL 199 11.163 28.904 31.050 680 HG12 VAL 199 HG12 VAL 199 11.539 27.703 32.288 681 HG13 VAL 199 HG13 VAL 199 10.306 28.925 32.596 682 HG21 VAL 199 HG21 VAL 199 7.697 27.438 30.370 683 HG22 VAL 199 HG22 VAL 199 8.792 28.711 29.829 684 HG23 VAL 199 HG23 VAL 199 8.067 28.790 31.438 685 H THR 200 HN THR 200 10.509 25.255 27.905 686 HA THR 200 HA THR 200 12.524 26.962 26.804 687 HB THR 200 HB THR 200 10.866 24.734 25.565 688 HG1 THR 200 HG1 THR 200 12.169 23.580 26.769 689 HG21 THR 200 HG21 THR 200 12.629 24.601 23.808 690 HG22 THR 200 HG22 THR 200 13.396 26.046 24.473 691 HG23 THR 200 HG23 THR 200 11.785 26.146 23.755 692 H LYS 201 HN LYS 201 12.266 28.807 25.653 693 HA LYS 201 HA LYS 201 9.628 29.781 24.934 694 HB2 LYS 201 HB2 LYS 201 12.368 31.091 24.697 695 HB3 LYS 201 HB1 LYS 201 10.871 31.863 24.194 696 HG2 LYS 201 HG2 LYS 201 11.403 32.744 26.343 697 HG3 LYS 201 HG1 LYS 201 10.042 31.644 26.576 698 HD2 LYS 201 HD2 LYS 201 11.640 29.889 27.350 699 HD3 LYS 201 HD1 LYS 201 12.964 31.040 27.170 700 HE2 LYS 201 HE2 LYS 201 11.985 32.465 28.901 701 HE3 LYS 201 HE1 LYS 201 10.597 31.379 29.041 702 HZ1 LYS 201 HZ1 LYS 201 13.414 30.650 29.621 703 HZ2 LYS 201 HZ2 LYS 201 12.080 29.631 29.778 704 HZ3 LYS 201 HZ3 LYS 201 12.233 30.987 30.773 705 H VAL 202 HN VAL 202 8.776 29.688 23.033 706 HA VAL 202 HA VAL 202 10.221 28.911 20.591 707 HB VAL 202 HB VAL 202 8.323 27.217 20.181 708 HG11 VAL 202 HG11 VAL 202 10.231 26.596 22.476 709 HG12 VAL 202 HG12 VAL 202 10.562 26.400 20.752 710 HG13 VAL 202 HG13 VAL 202 9.339 25.397 21.534 711 HG21 VAL 202 HG21 VAL 202 7.851 27.560 23.175 712 HG22 VAL 202 HG22 VAL 202 7.113 26.329 22.146 713 HG23 VAL 202 HG23 VAL 202 6.737 28.031 21.886 714 H ASP 203 HN ASP 203 8.201 28.760 18.815 715 HA ASP 203 HA ASP 203 6.953 31.463 18.972 716 HB2 ASP 203 HB2 ASP 203 7.857 29.900 16.508 717 HB3 ASP 203 HB1 ASP 203 7.063 31.475 16.478 718 H CYS 204 HN CYS 204 4.834 31.763 18.286 719 HA CYS 204 HA CYS 204 3.124 29.375 18.283 720 HB2 CYS 204 HB2 CYS 204 2.633 31.259 19.880 721 HB3 CYS 204 HB1 CYS 204 2.298 32.292 18.505 722 HA PRO 205 HA PRO 205 3.750 30.007 13.853 723 HB2 PRO 205 HB2 PRO 205 2.606 27.711 12.887 724 HB3 PRO 205 HB1 PRO 205 4.162 27.725 13.729 725 HG2 PRO 205 HG2 PRO 205 1.421 27.095 14.842 726 HG3 PRO 205 HG1 PRO 205 2.939 26.188 15.037 727 HD2 PRO 205 HD2 PRO 205 2.052 27.875 16.958 728 HD3 PRO 205 HD1 PRO 205 3.787 27.690 16.621 729 H VAL 206 HN VAL 206 0.727 30.177 15.342 730 HA VAL 206 HA VAL 206 -0.786 30.594 12.856 731 HB VAL 206 HB VAL 206 -1.905 30.796 15.689 732 HG11 VAL 206 HG11 VAL 206 -3.306 31.756 13.916 733 HG12 VAL 206 HG12 VAL 206 -4.057 30.305 14.571 734 HG13 VAL 206 HG13 VAL 206 -3.244 30.243 13.007 735 HG21 VAL 206 HG21 VAL 206 -1.732 28.268 13.987 736 HG22 VAL 206 HG22 VAL 206 -2.612 28.426 15.509 737 HG23 VAL 206 HG23 VAL 206 -0.856 28.577 15.487 738 H CYS 207 HN CYS 207 -0.214 32.381 15.950 739 HA CYS 207 HA CYS 207 -1.081 34.882 14.636 740 HB2 CYS 207 HB2 CYS 207 -1.520 35.788 16.807 741 HB3 CYS 207 HB1 CYS 207 -2.181 34.157 16.796 742 H GLY 208 HN GLY 208 1.771 33.296 15.371 743 HA2 GLY 208 HA2 GLY 208 3.949 33.851 14.994 744 HA3 GLY 208 HA1 GLY 208 3.375 35.363 14.320 745 H VAL 209 HN VAL 209 3.239 34.072 17.682 746 HA VAL 209 HA VAL 209 4.869 36.398 18.582 747 HB VAL 209 HB VAL 209 3.665 36.441 20.718 748 HG11 VAL 209 HG11 VAL 209 2.798 37.838 18.896 749 HG12 VAL 209 HG12 VAL 209 1.483 37.298 19.941 750 HG13 VAL 209 HG13 VAL 209 1.736 36.528 18.371 751 HG21 VAL 209 HG21 VAL 209 1.633 35.082 21.128 752 HG22 VAL 209 HG22 VAL 209 3.058 34.060 20.952 753 HG23 VAL 209 HG23 VAL 209 1.904 34.202 19.622 754 H ASN 210 HN ASN 210 6.449 36.045 20.122 755 HA ASN 210 HA ASN 210 7.477 33.313 20.354 756 HB2 ASN 210 HB2 ASN 210 9.007 35.115 19.628 757 HB3 ASN 210 HB1 ASN 210 8.699 36.005 21.114 758 HD21 ASN 210 HD21 ASN 210 9.292 32.500 20.798 759 HD22 ASN 210 HD22 ASN 210 10.767 32.501 21.696 760 H ILE 211 HN ILE 211 6.788 32.162 22.026 761 HA ILE 211 HA ILE 211 6.507 33.226 24.746 762 HB ILE 211 HB ILE 211 4.237 31.955 24.878 763 HG12 ILE 211 HG12 ILE 211 4.426 32.248 21.836 764 HG13 ILE 211 HG11 ILE 211 4.472 30.731 22.724 765 HG21 ILE 211 HG21 ILE 211 4.339 34.409 24.987 766 HG22 ILE 211 HG22 ILE 211 2.907 33.878 24.108 767 HG23 ILE 211 HG23 ILE 211 4.301 34.505 23.224 768 HD11 ILE 211 HD11 ILE 211 2.337 31.064 21.711 769 HD12 ILE 211 HD12 ILE 211 2.142 32.615 22.533 770 HD13 ILE 211 HD13 ILE 211 2.183 31.113 23.469 771 HA PRO 212 HA PRO 212 8.241 29.244 25.877 772 HB2 PRO 212 HB2 PRO 212 7.114 28.778 28.333 773 HB3 PRO 212 HB1 PRO 212 8.386 29.979 28.048 774 HG2 PRO 212 HG2 PRO 212 5.400 30.388 28.217 775 HG3 PRO 212 HG1 PRO 212 6.702 31.322 28.990 776 HD2 PRO 212 HD2 PRO 212 5.499 32.196 26.742 777 HD3 PRO 212 HD1 PRO 212 7.237 32.452 27.013 778 H GLU 213 HN GLU 213 7.692 26.981 26.611 779 HA GLU 213 HA GLU 213 6.251 25.908 24.466 780 HB2 GLU 213 HB2 GLU 213 8.331 24.978 25.543 781 HB3 GLU 213 HB1 GLU 213 7.340 24.414 26.879 782 HG2 GLU 213 HG2 GLU 213 6.076 22.969 25.305 783 HG3 GLU 213 HG1 GLU 213 7.110 23.504 23.987 784 H SER 214 HN SER 214 5.341 25.900 27.972 785 HA SER 214 HA SER 214 2.947 24.355 27.473 786 HB2 SER 214 HB2 SER 214 3.713 25.954 29.949 787 HB3 SER 214 HB1 SER 214 2.377 24.803 29.841 788 HG SER 214 HG SER 214 4.332 23.405 29.017 789 H HIS 215 HN HIS 215 3.768 27.766 27.496 790 HA HIS 215 HA HIS 215 1.020 28.716 27.601 791 HB2 HIS 215 HB2 HIS 215 2.953 29.991 28.595 792 HB3 HIS 215 HB1 HIS 215 3.580 30.264 26.974 793 HD1 HIS 215 HD1 HIS 215 0.975 31.410 29.371 794 HD2 HIS 215 HD2 HIS 215 2.070 32.182 25.443 795 HE1 HIS 215 HE1 HIS 215 -0.231 33.505 28.736 796 HE2 HIS 215 HE2 HIS 215 0.303 33.850 26.306 797 H ILE 216 HN ILE 216 3.347 27.744 25.178 798 HA ILE 216 HA ILE 216 2.185 29.161 22.972 799 HB ILE 216 HB ILE 216 4.634 28.251 23.082 800 HG12 ILE 216 HG12 ILE 216 3.544 29.287 21.006 801 HG13 ILE 216 HG11 ILE 216 4.904 28.223 20.699 802 HG21 ILE 216 HG21 ILE 216 5.052 26.036 22.049 803 HG22 ILE 216 HG22 ILE 216 3.323 25.695 22.087 804 HG23 ILE 216 HG23 ILE 216 4.212 25.912 23.583 805 HD11 ILE 216 HD11 ILE 216 1.987 27.564 20.307 806 HD12 ILE 216 HD12 ILE 216 3.316 26.429 20.080 807 HD13 ILE 216 HD13 ILE 216 3.199 27.853 19.063 808 H ASN 217 HN ASN 217 1.967 25.887 24.329 809 HA ASN 217 HA ASN 217 0.168 24.853 22.406 810 HB2 ASN 217 HB2 ASN 217 1.449 23.385 23.916 811 HB3 ASN 217 HB1 ASN 217 0.560 24.012 25.309 812 HD21 ASN 217 HD21 ASN 217 -1.537 23.287 25.674 813 HD22 ASN 217 HD22 ASN 217 -2.275 22.025 24.753 814 H LYS 218 HN LYS 218 -0.381 26.458 25.560 815 HA LYS 218 HA LYS 218 -3.207 26.281 25.559 816 HB2 LYS 218 HB2 LYS 218 -1.827 26.828 27.576 817 HB3 LYS 218 HB1 LYS 218 -1.478 28.413 26.899 818 HG2 LYS 218 HG2 LYS 218 -3.268 28.479 28.638 819 HG3 LYS 218 HG1 LYS 218 -3.822 29.074 27.073 820 HD2 LYS 218 HD2 LYS 218 -5.537 27.646 28.111 821 HD3 LYS 218 HD1 LYS 218 -4.940 26.913 26.623 822 HE2 LYS 218 HE2 LYS 218 -3.380 25.511 28.099 823 HE3 LYS 218 HE1 LYS 218 -4.314 26.100 29.477 824 HZ1 LYS 218 HZ1 LYS 218 -6.308 25.150 28.436 825 HZ2 LYS 218 HZ2 LYS 218 -5.138 23.971 28.733 826 HZ3 LYS 218 HZ3 LYS 218 -5.364 24.558 27.163 827 H HIS 219 HN HIS 219 -0.980 28.669 24.238 828 HA HIS 219 HA HIS 219 -2.822 30.603 23.385 829 HB2 HIS 219 HB2 HIS 219 -0.011 30.223 23.120 830 HB3 HIS 219 HB1 HIS 219 -0.595 30.328 21.469 831 HD2 HIS 219 HD2 HIS 219 -1.114 32.461 24.749 832 HE1 HIS 219 HE1 HIS 219 -0.594 35.033 21.458 833 HE2 HIS 219 HE2 HIS 219 -1.033 34.898 23.933 834 H LEU 220 HN LEU 220 -1.672 27.597 21.916 835 HA LEU 220 HA LEU 220 -2.967 27.935 19.386 836 HB2 LEU 220 HB2 LEU 220 -1.972 25.432 20.769 837 HB3 LEU 220 HB1 LEU 220 -2.509 25.501 19.090 838 HG LEU 220 HG LEU 220 -0.165 27.063 20.201 839 HD11 LEU 220 HD11 LEU 220 -0.168 24.481 18.657 840 HD12 LEU 220 HD12 LEU 220 0.293 24.709 20.345 841 HD13 LEU 220 HD13 LEU 220 1.252 25.445 19.066 842 HD21 LEU 220 HD21 LEU 220 0.421 27.478 17.859 843 HD22 LEU 220 HD22 LEU 220 -1.159 28.148 18.249 844 HD23 LEU 220 HD23 LEU 220 -1.046 26.645 17.329 845 H ASP 221 HN ASP 221 -3.915 26.453 22.463 846 HA ASP 221 HA ASP 221 -6.258 25.143 21.654 847 HB2 ASP 221 HB2 ASP 221 -5.630 26.511 24.315 848 HB3 ASP 221 HB1 ASP 221 -7.006 25.453 24.042 849 H SER 222 HN SER 222 -5.555 28.531 22.215 850 HA SER 222 HA SER 222 -8.307 29.375 21.586 851 HB2 SER 222 HB2 SER 222 -6.968 30.509 23.375 852 HB3 SER 222 HB1 SER 222 -5.835 31.065 22.143 853 HG SER 222 HG SER 222 -8.616 31.668 22.282 854 H CYS 223 HN CYS 223 -5.147 29.198 20.003 855 HA CYS 223 HA CYS 223 -5.749 31.177 17.973 856 HB2 CYS 223 HB2 CYS 223 -3.251 29.560 18.577 857 HB3 CYS 223 HB1 CYS 223 -3.378 30.613 17.176 858 H LEU 224 HN LEU 224 -6.075 27.742 18.218 859 HA LEU 224 HA LEU 224 -5.842 27.132 15.414 860 HB2 LEU 224 HB2 LEU 224 -6.772 24.920 15.973 861 HB3 LEU 224 HB1 LEU 224 -5.459 25.376 17.035 862 HG LEU 224 HG LEU 224 -7.293 26.028 18.763 863 HD11 LEU 224 HD11 LEU 224 -9.031 24.262 17.007 864 HD12 LEU 224 HD12 LEU 224 -9.290 25.972 17.348 865 HD13 LEU 224 HD13 LEU 224 -9.423 24.790 18.646 866 HD21 LEU 224 HD21 LEU 224 -6.884 23.110 18.059 867 HD22 LEU 224 HD22 LEU 224 -7.391 23.742 19.629 868 HD23 LEU 224 HD23 LEU 224 -5.784 24.114 19.007 869 H SER 225 HN SER 225 -8.143 28.812 17.171 870 HA SER 225 HA SER 225 -10.520 28.228 15.646 871 HB2 SER 225 HB2 SER 225 -9.924 30.651 17.397 872 HB3 SER 225 HB1 SER 225 -11.512 30.022 16.958 873 HG SER 225 HG SER 225 -9.943 29.348 19.017 874 H ARG 226 HN ARG 226 -8.528 28.689 13.806 875 HA ARG 226 HA ARG 226 -8.395 31.383 12.842 876 HB2 ARG 226 HB2 ARG 226 -6.590 29.698 12.454 877 HB3 ARG 226 HB1 ARG 226 -7.695 28.762 11.461 878 HG2 ARG 226 HG2 ARG 226 -7.748 31.288 10.249 879 HG3 ARG 226 HG1 ARG 226 -6.065 31.123 10.745 880 HD2 ARG 226 HD2 ARG 226 -6.354 30.310 8.466 881 HD3 ARG 226 HD1 ARG 226 -5.952 28.956 9.531 882 HE ARG 226 HE ARG 226 -8.744 29.155 9.393 883 HH11 ARG 226 HH11 ARG 226 -6.109 28.324 7.231 884 HH12 ARG 226 HH12 ARG 226 -7.094 27.291 6.249 885 HH21 ARG 226 HH21 ARG 226 -10.008 27.810 8.111 886 HH22 ARG 226 HH22 ARG 226 -9.303 26.975 6.766 887 H GLU 227 HN GLU 227 -10.523 32.027 12.623 888 HA GLU 227 HA GLU 227 -12.348 30.575 10.791 889 HB2 GLU 227 HB2 GLU 227 -12.945 32.615 12.986 890 HB3 GLU 227 HB1 GLU 227 -14.154 31.818 11.980 891 HG2 GLU 227 HG2 GLU 227 -13.553 29.635 12.928 892 HG3 GLU 227 HG1 GLU 227 -12.269 30.385 13.880 Start of MODEL 20 1 H1 GLY -2 HT1 GLY -2 -1.884 4.326 0.696 2 H2 GLY -2 HT2 GLY -2 -1.370 3.001 1.599 3 H3 GLY -2 HT3 GLY -2 -2.924 3.015 0.940 4 HA2 GLY -2 HA1 GLY -2 -1.535 1.582 -0.361 5 HA3 GLY -2 HA2 GLY -2 -1.994 3.001 -1.293 6 H SER -1 HN SER -1 -0.424 4.617 -1.732 7 HA SER -1 HA SER -1 2.337 3.647 -1.758 8 HB2 SER -1 HB2 SER -1 1.270 4.622 -3.803 9 HB3 SER -1 HB1 SER -1 1.138 6.172 -2.980 10 HG SER -1 HG SER -1 3.081 5.578 -4.433 11 H HIS 0 HN HIS 0 4.034 5.566 -1.463 12 HA HIS 0 HA HIS 0 3.472 7.031 1.049 13 HB2 HIS 0 HB2 HIS 0 5.831 5.196 0.471 14 HB3 HIS 0 HB1 HIS 0 5.899 6.431 1.721 15 HD1 HIS 0 HD1 HIS 0 2.621 5.492 2.213 16 HD2 HIS 0 HD2 HIS 0 6.192 3.458 2.813 17 HE1 HIS 0 HE1 HIS 0 2.124 3.754 3.938 18 HE2 HIS 0 HE2 HIS 0 4.346 2.697 4.443 19 H MET 1 HN MET 1 3.418 9.061 0.173 20 HA MET 1 HA MET 1 5.768 10.086 -1.312 21 HB2 MET 1 HB2 MET 1 3.182 11.585 -0.719 22 HB3 MET 1 HB1 MET 1 4.425 12.023 -1.882 23 HG2 MET 1 HG2 MET 1 2.516 9.685 -2.073 24 HG3 MET 1 HG1 MET 1 2.502 11.154 -3.057 25 HE1 MET 1 HE1 MET 1 2.453 9.513 -5.276 26 HE2 MET 1 HE2 MET 1 2.487 8.126 -4.184 27 HE3 MET 1 HE3 MET 1 3.642 8.231 -5.512 28 H GLN 2 HN GLN 2 6.764 12.040 -0.554 29 HA GLN 2 HA GLN 2 6.991 12.017 2.368 30 HB2 GLN 2 HB2 GLN 2 8.899 12.853 0.184 31 HB3 GLN 2 HB1 GLN 2 9.142 13.398 1.841 32 HG2 GLN 2 HG2 GLN 2 10.476 11.472 1.677 33 HG3 GLN 2 HG1 GLN 2 9.043 10.925 2.522 34 HE21 GLN 2 HE21 GLN 2 10.802 10.831 -0.467 35 HE22 GLN 2 HE22 GLN 2 10.001 9.458 -1.126 36 H ILE 3 HN ILE 3 6.366 13.604 3.601 37 HA ILE 3 HA ILE 3 6.095 16.364 2.556 38 HB ILE 3 HB ILE 3 4.289 16.770 4.319 39 HG12 ILE 3 HG12 ILE 3 4.697 14.589 5.620 40 HG13 ILE 3 HG11 ILE 3 3.015 14.993 5.312 41 HG21 ILE 3 HG21 ILE 3 3.720 16.686 1.964 42 HG22 ILE 3 HG22 ILE 3 2.432 15.946 2.916 43 HG23 ILE 3 HG23 ILE 3 3.563 14.927 2.025 44 HD11 ILE 3 HD11 ILE 3 4.631 12.950 3.773 45 HD12 ILE 3 HD12 ILE 3 2.926 13.329 3.517 46 HD13 ILE 3 HD13 ILE 3 3.449 12.604 5.036 47 H PHE 4 HN PHE 4 6.614 18.015 4.071 48 HA PHE 4 HA PHE 4 8.688 17.096 5.999 49 HB2 PHE 4 HB2 PHE 4 8.669 19.597 4.239 50 HB3 PHE 4 HB1 PHE 4 9.926 19.185 5.406 51 HD1 PHE 4 HD2 PHE 4 11.370 17.156 5.021 52 HD2 PHE 4 HD1 PHE 4 8.629 18.544 2.037 53 HE1 PHE 4 HE2 PHE 4 12.521 15.802 3.323 54 HE2 PHE 4 HE1 PHE 4 9.785 17.174 0.350 55 HZ PHE 4 HZ PHE 4 11.730 15.803 0.991 56 H VAL 5 HN VAL 5 7.843 17.273 7.951 57 HA VAL 5 HA VAL 5 6.149 19.573 8.695 58 HB VAL 5 HB VAL 5 6.472 16.830 10.020 59 HG11 VAL 5 HG11 VAL 5 4.598 19.121 10.758 60 HG12 VAL 5 HG12 VAL 5 5.977 18.551 11.699 61 HG13 VAL 5 HG13 VAL 5 4.579 17.503 11.472 62 HG21 VAL 5 HG21 VAL 5 5.225 16.753 7.881 63 HG22 VAL 5 HG22 VAL 5 4.120 17.998 8.458 64 HG23 VAL 5 HG23 VAL 5 4.156 16.417 9.243 65 H LYS 6 HN LYS 6 7.342 21.137 9.494 66 HA LYS 6 HA LYS 6 9.936 20.735 10.750 67 HB2 LYS 6 HB2 LYS 6 9.241 22.503 8.900 68 HB3 LYS 6 HB1 LYS 6 8.534 23.405 10.234 69 HG2 LYS 6 HG2 LYS 6 10.650 24.374 9.995 70 HG3 LYS 6 HG1 LYS 6 10.898 23.234 11.321 71 HD2 LYS 6 HD2 LYS 6 11.836 21.584 9.696 72 HD3 LYS 6 HD1 LYS 6 11.616 22.762 8.397 73 HE2 LYS 6 HE2 LYS 6 13.136 24.316 9.722 74 HE3 LYS 6 HE1 LYS 6 13.487 22.935 10.765 75 HZ1 LYS 6 HZ1 LYS 6 14.354 21.753 8.903 76 HZ2 LYS 6 HZ2 LYS 6 15.133 23.243 9.017 77 HZ3 LYS 6 HZ3 LYS 6 13.948 22.995 7.839 78 H THR 7 HN THR 7 10.012 20.512 12.980 79 HA THR 7 HA THR 7 7.928 21.310 14.760 80 HB THR 7 HB THR 7 9.787 20.883 16.562 81 HG1 THR 7 HG1 THR 7 11.537 19.630 15.710 82 HG21 THR 7 HG21 THR 7 9.619 18.413 16.293 83 HG22 THR 7 HG22 THR 7 8.873 18.668 14.713 84 HG23 THR 7 HG23 THR 7 8.064 19.239 16.170 85 H LEU 8 HN LEU 8 8.277 22.695 16.642 86 HA LEU 8 HA LEU 8 9.150 25.349 16.073 87 HB2 LEU 8 HB2 LEU 8 8.483 24.038 18.733 88 HB3 LEU 8 HB1 LEU 8 8.638 25.764 18.464 89 HG LEU 8 HG LEU 8 6.473 23.974 17.304 90 HD11 LEU 8 HD11 LEU 8 6.199 24.335 19.708 91 HD12 LEU 8 HD12 LEU 8 4.953 25.193 18.809 92 HD13 LEU 8 HD13 LEU 8 6.319 26.083 19.482 93 HD21 LEU 8 HD21 LEU 8 6.995 25.796 15.740 94 HD22 LEU 8 HD22 LEU 8 6.807 26.985 17.034 95 HD23 LEU 8 HD23 LEU 8 5.416 26.046 16.485 96 H THR 9 HN THR 9 10.892 22.563 17.071 97 HA THR 9 HA THR 9 13.084 23.982 18.382 98 HB THR 9 HB THR 9 14.176 21.681 18.370 99 HG1 THR 9 HG1 THR 9 12.541 19.950 17.892 100 HG21 THR 9 HG21 THR 9 11.395 21.813 19.597 101 HG22 THR 9 HG22 THR 9 12.881 22.420 20.332 102 HG23 THR 9 HG23 THR 9 12.673 20.689 20.066 103 H GLY 10 HN GLY 10 12.119 23.598 15.206 104 HA2 GLY 10 HA2 GLY 10 13.147 24.367 13.281 105 HA3 GLY 10 HA1 GLY 10 14.669 24.501 14.149 106 H LYS 11 HN LYS 11 13.095 21.501 14.496 107 HA LYS 11 HA LYS 11 15.018 20.123 12.753 108 HB2 LYS 11 HB2 LYS 11 15.092 18.982 14.749 109 HB3 LYS 11 HB1 LYS 11 13.477 19.473 15.233 110 HG2 LYS 11 HG2 LYS 11 12.503 17.721 13.850 111 HG3 LYS 11 HG1 LYS 11 14.105 17.240 13.276 112 HD2 LYS 11 HD2 LYS 11 14.739 16.563 15.557 113 HD3 LYS 11 HD1 LYS 11 13.196 17.154 16.183 114 HE2 LYS 11 HE2 LYS 11 13.200 14.700 15.937 115 HE3 LYS 11 HE1 LYS 11 11.990 15.459 14.902 116 HZ1 LYS 11 HZ1 LYS 11 13.465 15.207 13.029 117 HZ2 LYS 11 HZ2 LYS 11 13.217 13.708 13.769 118 HZ3 LYS 11 HZ3 LYS 11 14.665 14.541 14.013 119 H THR 12 HN THR 12 14.314 18.529 11.214 120 HA THR 12 HA THR 12 11.625 19.078 10.062 121 HB THR 12 HB THR 12 14.082 18.008 8.605 122 HG1 THR 12 HG1 THR 12 14.686 20.003 8.556 123 HG21 THR 12 HG21 THR 12 11.928 17.368 7.531 124 HG22 THR 12 HG22 THR 12 12.807 18.537 6.547 125 HG23 THR 12 HG23 THR 12 11.430 19.062 7.519 126 H ILE 13 HN ILE 13 10.216 17.459 10.015 127 HA ILE 13 HA ILE 13 11.092 14.651 10.407 128 HB ILE 13 HB ILE 13 8.424 15.909 11.210 129 HG12 ILE 13 HG12 ILE 13 9.340 15.011 13.565 130 HG13 ILE 13 HG11 ILE 13 10.899 15.112 12.773 131 HG21 ILE 13 HG21 ILE 13 9.387 13.035 11.530 132 HG22 ILE 13 HG22 ILE 13 8.103 13.595 10.459 133 HG23 ILE 13 HG23 ILE 13 7.892 13.693 12.206 134 HD11 ILE 13 HD11 ILE 13 10.445 17.089 14.086 135 HD12 ILE 13 HD12 ILE 13 8.986 17.402 13.148 136 HD13 ILE 13 HD13 ILE 13 10.571 17.489 12.374 137 H THR 14 HN THR 14 11.184 13.773 8.460 138 HA THR 14 HA THR 14 9.318 14.386 6.303 139 HB THR 14 HB THR 14 11.718 12.500 6.425 140 HG1 THR 14 HG1 THR 14 11.380 15.215 5.771 141 HG21 THR 14 HG21 THR 14 10.145 13.479 4.004 142 HG22 THR 14 HG22 THR 14 10.155 11.826 4.624 143 HG23 THR 14 HG23 THR 14 11.627 12.519 3.945 144 H LEU 15 HN LEU 15 7.429 13.285 6.171 145 HA LEU 15 HA LEU 15 7.191 10.542 7.288 146 HB2 LEU 15 HB2 LEU 15 4.889 12.384 6.507 147 HB3 LEU 15 HB1 LEU 15 4.779 10.846 7.346 148 HG LEU 15 HG LEU 15 4.424 12.425 9.041 149 HD11 LEU 15 HD11 LEU 15 6.110 10.753 9.694 150 HD12 LEU 15 HD12 LEU 15 6.284 12.269 10.566 151 HD13 LEU 15 HD13 LEU 15 7.395 11.879 9.250 152 HD21 LEU 15 HD21 LEU 15 5.745 14.451 9.402 153 HD22 LEU 15 HD22 LEU 15 5.017 14.436 7.798 154 HD23 LEU 15 HD23 LEU 15 6.735 14.077 7.987 155 H GLU 16 HN GLU 16 5.797 9.069 6.069 156 HA GLU 16 HA GLU 16 6.114 9.356 3.132 157 HB2 GLU 16 HB2 GLU 16 6.719 6.891 4.850 158 HB3 GLU 16 HB1 GLU 16 6.815 6.959 3.090 159 HG2 GLU 16 HG2 GLU 16 8.675 8.506 3.174 160 HG3 GLU 16 HG1 GLU 16 8.499 8.700 4.918 161 H VAL 17 HN VAL 17 3.858 9.961 3.113 162 HA VAL 17 HA VAL 17 1.980 7.697 3.095 163 HB VAL 17 HB VAL 17 0.191 8.916 4.318 164 HG11 VAL 17 HG11 VAL 17 1.521 7.340 5.627 165 HG12 VAL 17 HG12 VAL 17 0.976 8.691 6.620 166 HG13 VAL 17 HG13 VAL 17 2.649 8.626 6.061 167 HG21 VAL 17 HG21 VAL 17 0.905 11.208 3.873 168 HG22 VAL 17 HG22 VAL 17 2.298 11.014 4.940 169 HG23 VAL 17 HG23 VAL 17 0.663 10.972 5.605 170 H GLU 18 HN GLU 18 -0.318 8.838 2.465 171 HA GLU 18 HA GLU 18 0.236 10.133 -0.126 172 HB2 GLU 18 HB2 GLU 18 -2.475 9.050 0.759 173 HB3 GLU 18 HB1 GLU 18 -1.820 9.211 -0.870 174 HG2 GLU 18 HG2 GLU 18 -0.114 7.426 -0.214 175 HG3 GLU 18 HG1 GLU 18 -1.089 7.173 1.228 176 HA PRO 19 HA PRO 19 -1.879 13.999 1.147 177 HB2 PRO 19 HB2 PRO 19 -3.184 14.611 -1.241 178 HB3 PRO 19 HB1 PRO 19 -1.491 14.996 -0.909 179 HG2 PRO 19 HG2 PRO 19 -2.635 12.641 -2.403 180 HG3 PRO 19 HG1 PRO 19 -1.252 13.672 -2.832 181 HD2 PRO 19 HD2 PRO 19 -0.868 11.246 -1.734 182 HD3 PRO 19 HD1 PRO 19 0.175 12.613 -1.281 183 H SER 20 HN SER 20 -3.536 11.297 -0.404 184 HA SER 20 HA SER 20 -6.182 12.105 0.617 185 HB2 SER 20 HB2 SER 20 -5.910 11.413 -1.792 186 HB3 SER 20 HB1 SER 20 -5.424 9.808 -1.252 187 HG SER 20 HG SER 20 -7.937 11.072 -0.830 188 H ASP 21 HN ASP 21 -3.681 10.722 2.059 189 HA ASP 21 HA ASP 21 -4.636 8.199 3.007 190 HB2 ASP 21 HB2 ASP 21 -2.271 8.557 2.936 191 HB3 ASP 21 HB1 ASP 21 -2.387 10.057 3.840 192 H THR 22 HN THR 22 -3.720 10.452 5.551 193 HA THR 22 HA THR 22 -6.023 11.732 6.268 194 HB THR 22 HB THR 22 -7.137 9.556 6.693 195 HG1 THR 22 HG1 THR 22 -7.693 11.333 8.025 196 HG21 THR 22 HG21 THR 22 -6.465 8.073 8.536 197 HG22 THR 22 HG22 THR 22 -5.031 9.059 8.830 198 HG23 THR 22 HG23 THR 22 -5.188 8.164 7.317 199 H ILE 23 HN ILE 23 -5.720 12.965 8.143 200 HA ILE 23 HA ILE 23 -3.051 13.613 8.730 201 HB ILE 23 HB ILE 23 -5.589 14.436 10.208 202 HG12 ILE 23 HG12 ILE 23 -5.631 15.126 7.823 203 HG13 ILE 23 HG11 ILE 23 -5.510 16.524 8.878 204 HG21 ILE 23 HG21 ILE 23 -2.832 15.718 10.352 205 HG22 ILE 23 HG22 ILE 23 -3.633 14.813 11.635 206 HG23 ILE 23 HG23 ILE 23 -4.303 16.349 11.101 207 HD11 ILE 23 HD11 ILE 23 -3.246 15.288 7.308 208 HD12 ILE 23 HD12 ILE 23 -3.116 16.699 8.361 209 HD13 ILE 23 HD13 ILE 23 -4.113 16.770 6.907 210 H GLU 24 HN GLU 24 -5.465 11.685 10.500 211 HA GLU 24 HA GLU 24 -4.176 11.475 13.000 212 HB2 GLU 24 HB2 GLU 24 -6.550 10.753 12.503 213 HB3 GLU 24 HB1 GLU 24 -5.903 9.318 11.713 214 HG2 GLU 24 HG2 GLU 24 -4.835 8.642 13.861 215 HG3 GLU 24 HG1 GLU 24 -5.526 10.063 14.642 216 H ASN 25 HN ASN 25 -3.756 9.694 10.014 217 HA ASN 25 HA ASN 25 -1.956 7.707 11.070 218 HB2 ASN 25 HB2 ASN 25 -3.378 7.479 8.979 219 HB3 ASN 25 HB1 ASN 25 -2.287 8.580 8.171 220 HD21 ASN 25 HD21 ASN 25 -0.187 7.908 7.684 221 HD22 ASN 25 HD22 ASN 25 0.288 6.246 7.714 222 H VAL 26 HN VAL 26 -1.672 10.770 9.306 223 HA VAL 26 HA VAL 26 1.096 10.852 8.845 224 HB VAL 26 HB VAL 26 -0.736 13.249 9.382 225 HG11 VAL 26 HG11 VAL 26 1.641 13.906 9.586 226 HG12 VAL 26 HG12 VAL 26 0.926 14.617 8.139 227 HG13 VAL 26 HG13 VAL 26 1.985 13.210 8.000 228 HG21 VAL 26 HG21 VAL 26 0.053 11.976 6.736 229 HG22 VAL 26 HG22 VAL 26 -0.945 13.419 6.930 230 HG23 VAL 26 HG23 VAL 26 -1.529 11.861 7.506 231 H LYS 27 HN LYS 27 -0.769 11.911 11.700 232 HA LYS 27 HA LYS 27 1.510 12.980 13.078 233 HB2 LYS 27 HB2 LYS 27 0.020 13.385 14.941 234 HB3 LYS 27 HB1 LYS 27 -0.737 13.885 13.441 235 HG2 LYS 27 HG2 LYS 27 -2.104 11.806 13.477 236 HG3 LYS 27 HG1 LYS 27 -1.377 11.388 15.032 237 HD2 LYS 27 HD2 LYS 27 -3.544 12.427 15.429 238 HD3 LYS 27 HD1 LYS 27 -2.275 13.511 15.999 239 HE2 LYS 27 HE2 LYS 27 -2.487 14.783 13.831 240 HE3 LYS 27 HE1 LYS 27 -3.855 13.752 13.418 241 HZ1 LYS 27 HZ1 LYS 27 -4.635 15.812 14.365 242 HZ2 LYS 27 HZ2 LYS 27 -3.693 15.590 15.752 243 HZ3 LYS 27 HZ3 LYS 27 -4.984 14.546 15.434 244 H ALA 28 HN ALA 28 -0.121 9.865 13.016 245 HA ALA 28 HA ALA 28 1.357 8.594 15.093 246 HB1 ALA 28 HB1 ALA 28 0.679 6.490 14.002 247 HB2 ALA 28 HB2 ALA 28 0.164 7.384 12.568 248 HB3 ALA 28 HB3 ALA 28 -0.680 7.613 14.100 249 H LYS 29 HN LYS 29 2.076 9.301 11.695 250 HA LYS 29 HA LYS 29 4.488 7.811 11.496 251 HB2 LYS 29 HB2 LYS 29 3.694 10.272 9.899 252 HB3 LYS 29 HB1 LYS 29 4.959 9.133 9.472 253 HG2 LYS 29 HG2 LYS 29 2.030 8.398 9.644 254 HG3 LYS 29 HG1 LYS 29 2.803 8.959 8.176 255 HD2 LYS 29 HD2 LYS 29 3.063 6.737 7.741 256 HD3 LYS 29 HD1 LYS 29 4.448 6.864 8.811 257 HE2 LYS 29 HE2 LYS 29 1.689 6.066 9.789 258 HE3 LYS 29 HE1 LYS 29 2.868 4.899 9.215 259 HZ1 LYS 29 HZ1 LYS 29 3.023 4.977 11.552 260 HZ2 LYS 29 HZ2 LYS 29 3.089 6.660 11.574 261 HZ3 LYS 29 HZ3 LYS 29 4.394 5.777 10.963 262 H ILE 30 HN ILE 30 3.840 11.247 12.454 263 HA ILE 30 HA ILE 30 6.512 12.035 12.854 264 HB ILE 30 HB ILE 30 3.922 12.976 14.139 265 HG12 ILE 30 HG12 ILE 30 4.834 15.244 13.080 266 HG13 ILE 30 HG11 ILE 30 5.881 14.182 12.152 267 HG21 ILE 30 HG21 ILE 30 5.125 14.788 15.342 268 HG22 ILE 30 HG22 ILE 30 6.661 14.027 14.919 269 HG23 ILE 30 HG23 ILE 30 5.518 13.184 15.964 270 HD11 ILE 30 HD11 ILE 30 3.929 14.833 10.902 271 HD12 ILE 30 HD12 ILE 30 2.875 14.163 12.146 272 HD13 ILE 30 HD13 ILE 30 3.916 13.094 11.203 273 H GLN 31 HN GLN 31 4.253 10.395 15.084 274 HA GLN 31 HA GLN 31 6.032 10.113 17.283 275 HB2 GLN 31 HB2 GLN 31 3.557 9.834 17.443 276 HB3 GLN 31 HB1 GLN 31 3.667 8.345 16.507 277 HG2 GLN 31 HG2 GLN 31 5.047 7.331 18.308 278 HG3 GLN 31 HG1 GLN 31 4.908 8.817 19.240 279 HE21 GLN 31 HE21 GLN 31 2.246 7.398 17.391 280 HE22 GLN 31 HE22 GLN 31 1.288 6.989 18.768 281 H ASP 32 HN ASP 32 5.699 8.310 14.309 282 HA ASP 32 HA ASP 32 7.298 6.041 15.093 283 HB2 ASP 32 HB2 ASP 32 5.668 5.863 13.262 284 HB3 ASP 32 HB1 ASP 32 6.519 7.096 12.340 285 H LYS 33 HN LYS 33 7.982 9.270 13.863 286 HA LYS 33 HA LYS 33 10.680 8.523 12.935 287 HB2 LYS 33 HB2 LYS 33 9.181 11.162 12.721 288 HB3 LYS 33 HB1 LYS 33 10.784 10.871 12.058 289 HG2 LYS 33 HG2 LYS 33 8.259 9.416 11.215 290 HG3 LYS 33 HG1 LYS 33 8.975 10.779 10.356 291 HD2 LYS 33 HD2 LYS 33 10.990 9.460 9.883 292 HD3 LYS 33 HD1 LYS 33 10.348 8.097 10.810 293 HE2 LYS 33 HE2 LYS 33 8.476 7.909 9.181 294 HE3 LYS 33 HE1 LYS 33 9.158 9.248 8.260 295 HZ1 LYS 33 HZ1 LYS 33 10.482 6.631 8.749 296 HZ2 LYS 33 HZ2 LYS 33 11.151 7.922 7.897 297 HZ3 LYS 33 HZ3 LYS 33 9.784 7.136 7.295 298 H GLU 34 HN GLU 34 9.390 11.286 14.869 299 HA GLU 34 HA GLU 34 11.952 11.520 16.230 300 HB2 GLU 34 HB2 GLU 34 11.034 13.571 17.244 301 HB3 GLU 34 HB1 GLU 34 10.983 13.580 15.491 302 HG2 GLU 34 HG2 GLU 34 8.594 13.212 15.482 303 HG3 GLU 34 HG1 GLU 34 8.585 12.962 17.231 304 H GLY 35 HN GLY 35 8.721 10.364 16.949 305 HA2 GLY 35 HA2 GLY 35 8.340 8.636 18.513 306 HA3 GLY 35 HA1 GLY 35 9.795 9.092 19.381 307 H ILE 36 HN ILE 36 7.660 11.642 18.507 308 HA ILE 36 HA ILE 36 6.881 11.978 21.333 309 HB ILE 36 HB ILE 36 6.900 13.940 18.981 310 HG12 ILE 36 HG12 ILE 36 8.254 15.363 20.606 311 HG13 ILE 36 HG11 ILE 36 8.217 14.033 21.751 312 HG21 ILE 36 HG21 ILE 36 4.762 14.313 20.124 313 HG22 ILE 36 HG22 ILE 36 5.855 15.654 20.471 314 HG23 ILE 36 HG23 ILE 36 5.578 14.400 21.688 315 HD11 ILE 36 HD11 ILE 36 9.559 14.042 19.060 316 HD12 ILE 36 HD12 ILE 36 9.510 12.668 20.166 317 HD13 ILE 36 HD13 ILE 36 10.342 14.151 20.634 318 HA PRO 37 HA PRO 37 2.976 10.022 20.332 319 HB2 PRO 37 HB2 PRO 37 1.477 10.829 22.522 320 HB3 PRO 37 HB1 PRO 37 2.696 9.552 22.593 321 HG2 PRO 37 HG2 PRO 37 2.961 12.460 23.350 322 HG3 PRO 37 HG1 PRO 37 3.513 11.021 24.238 323 HD2 PRO 37 HD2 PRO 37 5.224 12.484 22.753 324 HD3 PRO 37 HD1 PRO 37 5.378 10.721 22.835 325 HA PRO 38 HA PRO 38 0.542 13.031 18.076 326 HB2 PRO 38 HB2 PRO 38 -2.010 11.906 18.205 327 HB3 PRO 38 HB1 PRO 38 -0.741 11.396 17.086 328 HG2 PRO 38 HG2 PRO 38 -1.516 10.196 19.741 329 HG3 PRO 38 HG1 PRO 38 -1.126 9.378 18.209 330 HD2 PRO 38 HD2 PRO 38 0.690 9.526 20.182 331 HD3 PRO 38 HD1 PRO 38 1.183 9.690 18.485 332 H ASP 39 HN ASP 39 -0.206 12.298 21.349 333 HA ASP 39 HA ASP 39 -2.114 14.375 21.865 334 HB2 ASP 39 HB2 ASP 39 -1.833 12.308 23.257 335 HB3 ASP 39 HB1 ASP 39 -0.262 12.900 23.793 336 H GLN 40 HN GLN 40 1.408 14.165 21.925 337 HA GLN 40 HA GLN 40 1.710 16.805 23.193 338 HB2 GLN 40 HB2 GLN 40 3.385 14.346 23.051 339 HB3 GLN 40 HB1 GLN 40 4.296 15.842 22.966 340 HG2 GLN 40 HG2 GLN 40 3.990 14.828 25.276 341 HG3 GLN 40 HG1 GLN 40 3.592 16.537 25.104 342 HE21 GLN 40 HE21 GLN 40 2.278 13.353 25.593 343 HE22 GLN 40 HE22 GLN 40 0.711 13.865 26.114 344 H GLN 41 HN GLN 41 2.310 15.208 20.142 345 HA GLN 41 HA GLN 41 3.523 17.640 19.026 346 HB2 GLN 41 HB2 GLN 41 3.761 16.318 16.935 347 HB3 GLN 41 HB1 GLN 41 4.528 15.558 18.314 348 HG2 GLN 41 HG2 GLN 41 3.577 13.712 17.354 349 HG3 GLN 41 HG1 GLN 41 2.274 14.181 18.430 350 HE21 GLN 41 HE21 GLN 41 0.352 14.996 17.532 351 HE22 GLN 41 HE22 GLN 41 0.018 14.911 15.841 352 H ARG 42 HN ARG 42 2.496 18.845 17.332 353 HA ARG 42 HA ARG 42 -0.397 18.397 16.937 354 HB2 ARG 42 HB2 ARG 42 0.512 20.140 18.878 355 HB3 ARG 42 HB1 ARG 42 0.381 21.237 17.513 356 HG2 ARG 42 HG2 ARG 42 -1.949 20.956 17.347 357 HG3 ARG 42 HG1 ARG 42 -1.927 19.440 18.260 358 HD2 ARG 42 HD2 ARG 42 -1.198 20.772 20.270 359 HD3 ARG 42 HD1 ARG 42 -1.483 22.232 19.334 360 HE ARG 42 HE ARG 42 -3.812 20.707 19.219 361 HH11 ARG 42 HH11 ARG 42 -1.990 22.518 21.631 362 HH12 ARG 42 HH12 ARG 42 -3.374 22.798 22.633 363 HH21 ARG 42 HH21 ARG 42 -5.609 21.104 20.543 364 HH22 ARG 42 HH22 ARG 42 -5.428 22.008 22.014 365 H LEU 43 HN LEU 43 -1.042 18.800 14.903 366 HA LEU 43 HA LEU 43 1.036 19.440 12.923 367 HB2 LEU 43 HB2 LEU 43 -1.557 17.889 12.899 368 HB3 LEU 43 HB1 LEU 43 -1.021 18.585 11.386 369 HG LEU 43 HG LEU 43 -0.343 16.246 11.527 370 HD11 LEU 43 HD11 LEU 43 1.087 17.814 10.296 371 HD12 LEU 43 HD12 LEU 43 2.036 16.506 11.003 372 HD13 LEU 43 HD13 LEU 43 2.043 18.108 11.750 373 HD21 LEU 43 HD21 LEU 43 1.228 17.023 14.007 374 HD22 LEU 43 HD22 LEU 43 1.257 15.452 13.204 375 HD23 LEU 43 HD23 LEU 43 -0.226 16.019 13.967 376 H ILE 44 HN ILE 44 1.015 21.346 11.812 377 HA ILE 44 HA ILE 44 -1.456 22.932 11.638 378 HB ILE 44 HB ILE 44 1.182 24.000 12.739 379 HG12 ILE 44 HG12 ILE 44 -1.572 23.900 14.072 380 HG13 ILE 44 HG11 ILE 44 -0.303 22.712 14.338 381 HG21 ILE 44 HG21 ILE 44 0.057 26.217 12.942 382 HG22 ILE 44 HG22 ILE 44 -1.357 25.575 12.101 383 HG23 ILE 44 HG23 ILE 44 0.189 25.703 11.260 384 HD11 ILE 44 HD11 ILE 44 -0.363 24.241 16.135 385 HD12 ILE 44 HD12 ILE 44 -0.215 25.620 15.046 386 HD13 ILE 44 HD13 ILE 44 1.126 24.486 15.228 387 H PHE 45 HN PHE 45 -1.742 23.392 9.574 388 HA PHE 45 HA PHE 45 0.562 24.161 7.860 389 HB2 PHE 45 HB2 PHE 45 -0.418 21.987 7.172 390 HB3 PHE 45 HB1 PHE 45 -2.014 22.711 7.079 391 HD1 PHE 45 HD1 PHE 45 1.296 22.479 5.443 392 HD2 PHE 45 HD2 PHE 45 -2.667 24.078 5.136 393 HE1 PHE 45 HE1 PHE 45 1.673 22.965 3.065 394 HE2 PHE 45 HE2 PHE 45 -2.279 24.558 2.761 395 HZ PHE 45 HZ PHE 45 -0.116 24.006 1.721 396 H ALA 46 HN ALA 46 0.410 26.211 7.133 397 HA ALA 46 HA ALA 46 -0.348 28.256 6.514 398 HB1 ALA 46 HB1 ALA 46 -1.741 26.960 4.923 399 HB2 ALA 46 HB2 ALA 46 -2.557 28.440 5.434 400 HB3 ALA 46 HB3 ALA 46 -3.030 26.883 6.128 401 H GLY 47 HN GLY 47 -0.671 27.256 9.387 402 HA2 GLY 47 HA2 GLY 47 -1.052 28.445 11.339 403 HA3 GLY 47 HA1 GLY 47 -1.937 29.658 10.429 404 H LYS 48 HN LYS 48 -2.907 26.344 9.967 405 HA LYS 48 HA LYS 48 -5.013 26.526 12.076 406 HB2 LYS 48 HB2 LYS 48 -6.659 25.576 10.597 407 HB3 LYS 48 HB1 LYS 48 -5.895 26.889 9.710 408 HG2 LYS 48 HG2 LYS 48 -4.374 25.024 8.694 409 HG3 LYS 48 HG1 LYS 48 -5.588 23.910 9.305 410 HD2 LYS 48 HD2 LYS 48 -6.078 24.348 7.003 411 HD3 LYS 48 HD1 LYS 48 -7.316 25.151 7.972 412 HE2 LYS 48 HE2 LYS 48 -5.984 27.290 7.718 413 HE3 LYS 48 HE1 LYS 48 -4.955 26.431 6.566 414 HZ1 LYS 48 HZ1 LYS 48 -7.879 26.883 6.318 415 HZ2 LYS 48 HZ2 LYS 48 -6.950 25.989 5.230 416 HZ3 LYS 48 HZ3 LYS 48 -6.672 27.647 5.415 417 H GLN 49 HN GLN 49 -5.489 24.573 13.166 418 HA GLN 49 HA GLN 49 -3.385 22.558 13.080 419 HB2 GLN 49 HB2 GLN 49 -4.628 23.564 15.206 420 HB3 GLN 49 HB1 GLN 49 -5.816 22.314 14.885 421 HG2 GLN 49 HG2 GLN 49 -2.861 21.800 15.357 422 HG3 GLN 49 HG1 GLN 49 -4.093 21.728 16.609 423 HE21 GLN 49 HE21 GLN 49 -6.076 20.396 14.944 424 HE22 GLN 49 HE22 GLN 49 -5.524 18.774 14.743 425 H LEU 50 HN LEU 50 -3.635 20.436 12.465 426 HA LEU 50 HA LEU 50 -5.696 20.025 10.442 427 HB2 LEU 50 HB2 LEU 50 -3.258 18.325 11.027 428 HB3 LEU 50 HB1 LEU 50 -4.229 18.345 9.564 429 HG LEU 50 HG LEU 50 -2.327 20.519 10.522 430 HD11 LEU 50 HD11 LEU 50 -1.090 20.014 8.459 431 HD12 LEU 50 HD12 LEU 50 -2.215 18.697 8.116 432 HD13 LEU 50 HD13 LEU 50 -1.185 18.632 9.548 433 HD21 LEU 50 HD21 LEU 50 -4.093 20.599 8.056 434 HD22 LEU 50 HD22 LEU 50 -2.863 21.785 8.498 435 HD23 LEU 50 HD23 LEU 50 -4.295 21.593 9.503 436 H GLU 51 HN GLU 51 -7.403 18.789 10.830 437 HA GLU 51 HA GLU 51 -7.871 17.459 13.323 438 HB2 GLU 51 HB2 GLU 51 -9.641 18.749 12.184 439 HB3 GLU 51 HB1 GLU 51 -9.532 17.706 10.774 440 HG2 GLU 51 HG2 GLU 51 -10.336 15.791 12.188 441 HG3 GLU 51 HG1 GLU 51 -10.570 16.921 13.517 442 H ASP 52 HN ASP 52 -8.023 15.296 13.716 443 HA ASP 52 HA ASP 52 -6.402 13.452 12.449 444 HB2 ASP 52 HB2 ASP 52 -8.829 13.000 14.238 445 HB3 ASP 52 HB1 ASP 52 -7.706 11.720 13.789 446 H GLY 53 HN GLY 53 -9.948 13.786 12.195 447 HA2 GLY 53 HA2 GLY 53 -10.467 11.527 10.588 448 HA3 GLY 53 HA1 GLY 53 -11.539 12.893 10.825 449 H ARG 54 HN ARG 54 -9.539 14.799 9.734 450 HA ARG 54 HA ARG 54 -10.338 14.621 6.954 451 HB2 ARG 54 HB2 ARG 54 -8.709 16.698 8.471 452 HB3 ARG 54 HB1 ARG 54 -9.183 16.857 6.777 453 HG2 ARG 54 HG2 ARG 54 -11.578 16.713 7.490 454 HG3 ARG 54 HG1 ARG 54 -11.053 16.680 9.164 455 HD2 ARG 54 HD2 ARG 54 -10.121 18.907 8.959 456 HD3 ARG 54 HD1 ARG 54 -10.477 18.952 7.231 457 HE ARG 54 HE ARG 54 -12.901 18.653 8.002 458 HH11 ARG 54 HH11 ARG 54 -10.571 20.503 9.882 459 HH12 ARG 54 HH12 ARG 54 -11.783 21.551 10.538 460 HH21 ARG 54 HH21 ARG 54 -14.432 20.042 8.852 461 HH22 ARG 54 HH22 ARG 54 -13.966 21.282 9.974 462 H THR 55 HN THR 55 -8.514 15.466 5.365 463 HA THR 55 HA THR 55 -6.165 13.647 5.595 464 HB THR 55 HB THR 55 -6.218 13.494 3.073 465 HG1 THR 55 HG1 THR 55 -8.451 14.029 2.220 466 HG21 THR 55 HG21 THR 55 -7.174 11.670 4.419 467 HG22 THR 55 HG22 THR 55 -8.068 11.886 2.913 468 HG23 THR 55 HG23 THR 55 -8.739 12.490 4.431 469 H LEU 56 HN LEU 56 -4.321 14.321 4.223 470 HA LEU 56 HA LEU 56 -3.400 16.906 4.721 471 HB2 LEU 56 HB2 LEU 56 -2.549 14.906 2.590 472 HB3 LEU 56 HB1 LEU 56 -1.688 16.408 2.875 473 HG LEU 56 HG LEU 56 -2.000 14.178 4.937 474 HD11 LEU 56 HD11 LEU 56 -0.585 13.460 3.052 475 HD12 LEU 56 HD12 LEU 56 0.368 13.674 4.516 476 HD13 LEU 56 HD13 LEU 56 0.427 14.896 3.244 477 HD21 LEU 56 HD21 LEU 56 -1.733 16.395 5.981 478 HD22 LEU 56 HD22 LEU 56 -0.289 16.702 5.015 479 HD23 LEU 56 HD23 LEU 56 -0.291 15.414 6.224 480 H SER 57 HN SER 57 -4.696 15.524 1.709 481 HA SER 57 HA SER 57 -4.505 17.769 0.044 482 HB2 SER 57 HB2 SER 57 -4.792 15.375 -0.699 483 HB3 SER 57 HB1 SER 57 -6.481 15.453 -0.206 484 HG SER 57 HG SER 57 -6.668 17.255 -1.706 485 H ASP 58 HN ASP 58 -6.899 16.861 2.465 486 HA ASP 58 HA ASP 58 -9.091 18.460 1.538 487 HB2 ASP 58 HB2 ASP 58 -9.389 16.581 3.133 488 HB3 ASP 58 HB1 ASP 58 -8.445 17.439 4.344 489 H TYR 59 HN TYR 59 -6.402 18.953 3.804 490 HA TYR 59 HA TYR 59 -7.144 21.721 4.363 491 HB2 TYR 59 HB2 TYR 59 -4.972 19.854 5.350 492 HB3 TYR 59 HB1 TYR 59 -4.837 21.583 5.637 493 HD1 TYR 59 HD2 TYR 59 -6.951 22.718 6.694 494 HD2 TYR 59 HD1 TYR 59 -6.099 18.541 6.996 495 HE1 TYR 59 HE2 TYR 59 -8.315 22.595 8.716 496 HE2 TYR 59 HE1 TYR 59 -7.471 18.424 9.023 497 HH TYR 59 HH TYR 59 -8.151 20.351 10.903 498 H ASN 60 HN ASN 60 -6.097 20.558 1.619 499 HA ASN 60 HA ASN 60 -5.115 21.383 -0.231 500 HB2 ASN 60 HB2 ASN 60 -4.761 23.916 1.425 501 HB3 ASN 60 HB1 ASN 60 -4.450 23.821 -0.304 502 HD21 ASN 60 HD21 ASN 60 -6.951 23.649 2.168 503 HD22 ASN 60 HD22 ASN 60 -8.280 23.969 1.108 504 H ILE 61 HN ILE 61 -3.618 20.006 1.891 505 HA ILE 61 HA ILE 61 -0.821 20.830 1.499 506 HB ILE 61 HB ILE 61 -1.877 18.382 2.987 507 HG12 ILE 61 HG12 ILE 61 -1.197 21.012 4.336 508 HG13 ILE 61 HG11 ILE 61 -2.824 20.635 3.801 509 HG21 ILE 61 HG21 ILE 61 0.769 19.857 3.283 510 HG22 ILE 61 HG22 ILE 61 0.536 18.305 2.477 511 HG23 ILE 61 HG23 ILE 61 0.263 18.443 4.214 512 HD11 ILE 61 HD11 ILE 61 -2.918 18.737 5.286 513 HD12 ILE 61 HD12 ILE 61 -2.500 20.205 6.171 514 HD13 ILE 61 HD13 ILE 61 -1.246 19.022 5.793 515 H GLN 62 HN GLN 62 0.335 19.927 -0.122 516 HA GLN 62 HA GLN 62 -0.522 17.346 -1.320 517 HB2 GLN 62 HB2 GLN 62 0.640 17.989 -3.345 518 HB3 GLN 62 HB1 GLN 62 -0.466 19.280 -2.919 519 HG2 GLN 62 HG2 GLN 62 1.299 20.726 -2.224 520 HG3 GLN 62 HG1 GLN 62 2.464 19.407 -2.164 521 HE21 GLN 62 HE21 GLN 62 3.406 18.674 -4.060 522 HE22 GLN 62 HE22 GLN 62 3.323 19.559 -5.542 523 H LYS 63 HN LYS 63 1.579 16.272 -2.338 524 HA LYS 63 HA LYS 63 3.363 15.501 -0.321 525 HB2 LYS 63 HB2 LYS 63 4.696 14.447 -2.091 526 HB3 LYS 63 HB1 LYS 63 2.985 14.132 -2.343 527 HG2 LYS 63 HG2 LYS 63 2.873 15.718 -4.155 528 HG3 LYS 63 HG1 LYS 63 4.501 16.307 -3.821 529 HD2 LYS 63 HD2 LYS 63 3.767 13.533 -4.835 530 HD3 LYS 63 HD1 LYS 63 4.500 14.831 -5.784 531 HE2 LYS 63 HE2 LYS 63 6.491 14.756 -4.282 532 HE3 LYS 63 HE1 LYS 63 5.767 13.395 -3.423 533 HZ1 LYS 63 HZ1 LYS 63 6.626 13.470 -6.258 534 HZ2 LYS 63 HZ2 LYS 63 5.748 12.200 -5.579 535 HZ3 LYS 63 HZ3 LYS 63 7.299 12.550 -5.007 536 H GLU 64 HN GLU 64 5.263 16.261 0.346 537 HA GLU 64 HA GLU 64 7.154 17.409 0.646 538 HB2 GLU 64 HB2 GLU 64 6.811 18.356 -2.220 539 HB3 GLU 64 HB1 GLU 64 8.264 18.587 -1.248 540 HG2 GLU 64 HG2 GLU 64 8.645 16.182 -1.146 541 HG3 GLU 64 HG1 GLU 64 7.117 15.866 -1.970 542 H SER 65 HN SER 65 4.220 18.720 0.643 543 HA SER 65 HA SER 65 4.772 21.504 0.904 544 HB2 SER 65 HB2 SER 65 2.567 19.821 2.164 545 HB3 SER 65 HB1 SER 65 2.612 21.586 2.159 546 HG SER 65 HG SER 65 2.956 20.832 -0.328 547 H THR 66 HN THR 66 5.400 22.705 2.647 548 HA THR 66 HA THR 66 6.483 21.280 4.995 549 HB THR 66 HB THR 66 7.092 24.136 4.091 550 HG1 THR 66 HG1 THR 66 7.741 22.323 2.649 551 HG21 THR 66 HG21 THR 66 8.525 22.299 6.057 552 HG22 THR 66 HG22 THR 66 7.566 23.715 6.495 553 HG23 THR 66 HG23 THR 66 9.059 23.916 5.579 554 H LEU 67 HN LEU 67 5.617 21.579 6.948 555 HA LEU 67 HA LEU 67 3.774 23.784 7.544 556 HB2 LEU 67 HB2 LEU 67 2.070 22.196 8.426 557 HB3 LEU 67 HB1 LEU 67 2.248 22.109 6.689 558 HG LEU 67 HG LEU 67 3.729 20.102 8.400 559 HD11 LEU 67 HD11 LEU 67 1.813 18.576 8.385 560 HD12 LEU 67 HD12 LEU 67 0.799 19.831 7.666 561 HD13 LEU 67 HD13 LEU 67 1.450 20.043 9.292 562 HD21 LEU 67 HD21 LEU 67 4.173 20.130 5.970 563 HD22 LEU 67 HD22 LEU 67 2.458 19.861 5.644 564 HD23 LEU 67 HD23 LEU 67 3.411 18.621 6.466 565 H HIS 68 HN HIS 68 3.354 23.989 9.846 566 HA HIS 68 HA HIS 68 5.750 23.420 11.390 567 HB2 HIS 68 HB2 HIS 68 3.273 25.078 12.003 568 HB3 HIS 68 HB1 HIS 68 4.576 24.846 13.167 569 HD1 HIS 68 HD1 HIS 68 3.520 27.137 10.614 570 HD2 HIS 68 HD2 HIS 68 7.192 25.753 11.986 571 HE1 HIS 68 HE1 HIS 68 5.209 28.831 9.865 572 HE2 HIS 68 HE2 HIS 68 7.383 28.068 10.865 573 H LEU 69 HN LEU 69 5.818 22.527 13.454 574 HA LEU 69 HA LEU 69 3.650 20.709 14.312 575 HB2 LEU 69 HB2 LEU 69 5.636 19.588 13.081 576 HB3 LEU 69 HB1 LEU 69 6.625 20.044 14.439 577 HG LEU 69 HG LEU 69 5.956 17.651 14.483 578 HD11 LEU 69 HD11 LEU 69 4.738 19.127 16.821 579 HD12 LEU 69 HD12 LEU 69 6.453 18.772 16.614 580 HD13 LEU 69 HD13 LEU 69 5.303 17.453 16.791 581 HD21 LEU 69 HD21 LEU 69 3.110 18.640 14.804 582 HD22 LEU 69 HD22 LEU 69 3.647 16.965 14.947 583 HD23 LEU 69 HD23 LEU 69 3.776 17.799 13.401 584 H VAL 70 HN VAL 70 3.055 21.312 16.307 585 HA VAL 70 HA VAL 70 4.876 22.820 18.052 586 HB VAL 70 HB VAL 70 1.861 22.405 18.156 587 HG11 VAL 70 HG11 VAL 70 1.812 23.938 20.110 588 HG12 VAL 70 HG12 VAL 70 3.577 23.930 20.166 589 HG13 VAL 70 HG13 VAL 70 2.677 22.446 20.478 590 HG21 VAL 70 HG21 VAL 70 2.636 23.993 16.462 591 HG22 VAL 70 HG22 VAL 70 3.570 24.879 17.671 592 HG23 VAL 70 HG23 VAL 70 1.807 24.852 17.756 593 H LEU 71 HN LEU 71 5.989 21.752 19.461 594 HA LEU 71 HA LEU 71 5.236 19.156 20.536 595 HB2 LEU 71 HB2 LEU 71 7.610 20.989 21.084 596 HB3 LEU 71 HB1 LEU 71 7.414 19.369 21.730 597 HG LEU 71 HG LEU 71 7.692 20.015 18.774 598 HD11 LEU 71 HD11 LEU 71 9.776 20.481 19.982 599 HD12 LEU 71 HD12 LEU 71 9.950 19.068 18.946 600 HD13 LEU 71 HD13 LEU 71 9.747 18.863 20.689 601 HD21 LEU 71 HD21 LEU 71 7.660 17.327 20.198 602 HD22 LEU 71 HD22 LEU 71 7.967 17.579 18.477 603 HD23 LEU 71 HD23 LEU 71 6.388 17.969 19.154 604 H ARG 72 HN ARG 72 4.793 18.775 22.720 605 HA ARG 72 HA ARG 72 3.995 21.118 24.385 606 HB2 ARG 72 HB2 ARG 72 2.622 18.414 24.017 607 HB3 ARG 72 HB1 ARG 72 2.186 19.557 25.286 608 HG2 ARG 72 HG2 ARG 72 1.359 21.158 23.718 609 HG3 ARG 72 HG1 ARG 72 2.112 20.332 22.350 610 HD2 ARG 72 HD2 ARG 72 -0.401 20.052 22.541 611 HD3 ARG 72 HD1 ARG 72 0.522 18.556 22.413 612 HE ARG 72 HE ARG 72 0.241 18.344 24.885 613 HH11 ARG 72 HH11 ARG 72 -2.095 20.302 23.136 614 HH12 ARG 72 HH12 ARG 72 -3.385 19.945 24.235 615 HH21 ARG 72 HH21 ARG 72 -1.470 17.885 26.294 616 HH22 ARG 72 HH22 ARG 72 -3.032 18.585 26.016 617 H LEU 73 HN LEU 73 5.215 17.788 24.380 618 HA LEU 73 HA LEU 73 6.249 16.439 25.865 619 HB2 LEU 73 HB2 LEU 73 7.584 19.090 26.491 620 HB3 LEU 73 HB1 LEU 73 8.092 17.613 27.282 621 HG LEU 73 HG LEU 73 9.638 18.040 25.501 622 HD11 LEU 73 HD11 LEU 73 9.502 16.032 24.129 623 HD12 LEU 73 HD12 LEU 73 7.808 15.815 24.573 624 HD13 LEU 73 HD13 LEU 73 9.069 15.680 25.800 625 HD21 LEU 73 HD21 LEU 73 8.313 19.568 24.141 626 HD22 LEU 73 HD22 LEU 73 7.299 18.234 23.585 627 HD23 LEU 73 HD23 LEU 73 9.008 18.293 23.142 628 H ARG 74 HN ARG 74 3.723 17.419 26.745 629 HA ARG 74 HA ARG 74 3.655 17.872 29.563 630 HB2 ARG 74 HB2 ARG 74 1.557 16.819 27.609 631 HB3 ARG 74 HB1 ARG 74 1.208 17.206 29.288 632 HG2 ARG 74 HG2 ARG 74 2.282 19.238 27.306 633 HG3 ARG 74 HG1 ARG 74 0.560 18.975 27.597 634 HD2 ARG 74 HD2 ARG 74 2.601 19.840 29.674 635 HD3 ARG 74 HD1 ARG 74 1.390 20.877 28.909 636 HE ARG 74 HE ARG 74 -0.176 18.988 29.940 637 HH11 ARG 74 HH11 ARG 74 2.462 20.743 31.504 638 HH12 ARG 74 HH12 ARG 74 1.757 20.592 33.084 639 HH21 ARG 74 HH21 ARG 74 -1.038 18.779 31.992 640 HH22 ARG 74 HH22 ARG 74 -0.229 19.478 33.363 641 H GLY 75 HN GLY 75 2.830 15.022 27.610 642 HA2 GLY 75 HA2 GLY 75 3.463 13.167 29.813 643 HA3 GLY 75 HA1 GLY 75 2.530 12.804 28.366 644 H GLY 76 HN GLY 76 5.576 14.570 28.326 645 HA2 GLY 76 HA2 GLY 76 7.728 14.006 27.773 646 HA3 GLY 76 HA1 GLY 76 7.281 12.312 27.885 647 H1 GLY 195 HN GLY 195 17.400 15.714 23.430 648 HA2 GLY 195 HA2 GLY 195 14.451 15.953 23.412 649 HA3 GLY 195 HA1 GLY 195 15.428 15.057 24.565 650 H SER 196 HN SER 196 13.517 17.699 24.330 651 HA SER 196 HA SER 196 15.004 19.545 26.015 652 HB2 SER 196 HB2 SER 196 12.869 20.889 25.932 653 HB3 SER 196 HB1 SER 196 13.517 20.493 24.340 654 HG SER 196 HG SER 196 11.340 19.240 25.678 655 H ARG 197 HN ARG 197 15.120 19.324 28.174 656 HA ARG 197 HA ARG 197 13.028 17.891 29.701 657 HB2 ARG 197 HB2 ARG 197 15.860 18.715 30.474 658 HB3 ARG 197 HB1 ARG 197 14.731 17.907 31.559 659 HG2 ARG 197 HG2 ARG 197 14.672 15.966 29.962 660 HG3 ARG 197 HG1 ARG 197 15.920 16.768 29.007 661 HD2 ARG 197 HD2 ARG 197 17.479 16.659 30.881 662 HD3 ARG 197 HD1 ARG 197 16.226 15.976 31.924 663 HE ARG 197 HE ARG 197 16.694 14.403 29.565 664 HH11 ARG 197 HH11 ARG 197 17.913 15.009 32.813 665 HH12 ARG 197 HH12 ARG 197 18.614 13.432 32.974 666 HH21 ARG 197 HH21 ARG 197 17.597 12.329 29.807 667 HH22 ARG 197 HH22 ARG 197 18.435 11.911 31.267 668 H GLN 198 HN GLN 198 13.798 21.008 28.808 669 HA GLN 198 HA GLN 198 12.657 22.251 31.258 670 HB2 GLN 198 HB2 GLN 198 13.734 24.346 30.538 671 HB3 GLN 198 HB1 GLN 198 14.931 23.064 30.694 672 HG2 GLN 198 HG2 GLN 198 15.184 22.848 28.342 673 HG3 GLN 198 HG1 GLN 198 13.704 23.742 28.013 674 HE21 GLN 198 HE21 GLN 198 13.715 26.001 28.187 675 HE22 GLN 198 HE22 GLN 198 15.182 26.912 28.204 676 H VAL 199 HN VAL 199 11.295 24.226 30.809 677 HA VAL 199 HA VAL 199 9.404 23.882 28.682 678 HB VAL 199 HB VAL 199 8.755 24.933 30.820 679 HG11 VAL 199 HG11 VAL 199 10.469 27.330 30.079 680 HG12 VAL 199 HG12 VAL 199 10.789 26.181 31.379 681 HG13 VAL 199 HG13 VAL 199 9.366 27.219 31.455 682 HG21 VAL 199 HG21 VAL 199 7.402 26.797 29.914 683 HG22 VAL 199 HG22 VAL 199 7.383 25.388 28.858 684 HG23 VAL 199 HG23 VAL 199 8.374 26.787 28.438 685 H THR 200 HN THR 200 9.866 24.268 26.622 686 HA THR 200 HA THR 200 12.322 25.559 25.811 687 HB THR 200 HB THR 200 10.142 24.343 24.044 688 HG1 THR 200 HG1 THR 200 10.685 22.491 24.875 689 HG21 THR 200 HG21 THR 200 12.013 23.882 22.485 690 HG22 THR 200 HG22 THR 200 13.137 24.685 23.583 691 HG23 THR 200 HG23 THR 200 11.858 25.613 22.796 692 H LYS 201 HN LYS 201 12.526 27.609 24.919 693 HA LYS 201 HA LYS 201 10.216 29.322 24.523 694 HB2 LYS 201 HB2 LYS 201 13.194 29.777 24.075 695 HB3 LYS 201 HB1 LYS 201 11.986 30.965 23.599 696 HG2 LYS 201 HG2 LYS 201 12.876 31.642 25.707 697 HG3 LYS 201 HG1 LYS 201 11.228 31.083 25.988 698 HD2 LYS 201 HD2 LYS 201 12.099 28.943 26.872 699 HD3 LYS 201 HD1 LYS 201 13.752 29.470 26.532 700 HE2 LYS 201 HE2 LYS 201 11.830 30.750 28.505 701 HE3 LYS 201 HE1 LYS 201 13.244 29.774 28.903 702 HZ1 LYS 201 HZ1 LYS 201 14.648 31.466 27.868 703 HZ2 LYS 201 HZ2 LYS 201 13.722 32.123 29.119 704 HZ3 LYS 201 HZ3 LYS 201 13.283 32.403 27.511 705 H VAL 202 HN VAL 202 9.153 29.575 22.696 706 HA VAL 202 HA VAL 202 10.057 28.547 20.111 707 HB VAL 202 HB VAL 202 7.958 27.063 19.991 708 HG11 VAL 202 HG11 VAL 202 10.161 26.013 20.259 709 HG12 VAL 202 HG12 VAL 202 8.939 25.128 21.170 710 HG13 VAL 202 HG13 VAL 202 10.063 26.195 22.015 711 HG21 VAL 202 HG21 VAL 202 6.947 26.294 22.112 712 HG22 VAL 202 HG22 VAL 202 6.724 28.030 21.896 713 HG23 VAL 202 HG23 VAL 202 7.949 27.431 23.019 714 H ASP 203 HN ASP 203 7.826 28.634 18.639 715 HA ASP 203 HA ASP 203 6.598 31.299 19.159 716 HB2 ASP 203 HB2 ASP 203 7.561 30.136 16.515 717 HB3 ASP 203 HB1 ASP 203 6.476 31.520 16.604 718 H CYS 204 HN CYS 204 4.460 31.497 18.942 719 HA CYS 204 HA CYS 204 2.749 29.208 18.581 720 HB2 CYS 204 HB2 CYS 204 2.318 31.055 20.237 721 HB3 CYS 204 HB1 CYS 204 2.031 32.149 18.906 722 HA PRO 205 HA PRO 205 3.477 30.191 14.259 723 HB2 PRO 205 HB2 PRO 205 3.031 27.795 13.133 724 HB3 PRO 205 HB1 PRO 205 4.322 27.998 14.326 725 HG2 PRO 205 HG2 PRO 205 1.560 26.867 14.718 726 HG3 PRO 205 HG1 PRO 205 3.116 26.243 15.303 727 HD2 PRO 205 HD2 PRO 205 1.376 27.794 16.829 728 HD3 PRO 205 HD1 PRO 205 3.120 27.641 17.139 729 H VAL 206 HN VAL 206 0.570 30.417 15.468 730 HA VAL 206 HA VAL 206 -0.828 30.645 12.867 731 HB VAL 206 HB VAL 206 -2.011 30.871 15.679 732 HG11 VAL 206 HG11 VAL 206 -3.408 30.734 12.974 733 HG12 VAL 206 HG12 VAL 206 -3.288 32.154 14.015 734 HG13 VAL 206 HG13 VAL 206 -4.209 30.752 14.550 735 HG21 VAL 206 HG21 VAL 206 -1.244 28.570 15.240 736 HG22 VAL 206 HG22 VAL 206 -2.160 28.528 13.732 737 HG23 VAL 206 HG23 VAL 206 -3.007 28.637 15.279 738 H CYS 207 HN CYS 207 -0.356 32.484 15.936 739 HA CYS 207 HA CYS 207 -1.058 34.997 14.594 740 HB2 CYS 207 HB2 CYS 207 -1.248 35.965 16.830 741 HB3 CYS 207 HB1 CYS 207 -2.141 34.448 16.770 742 H GLY 208 HN GLY 208 1.740 33.336 15.847 743 HA2 GLY 208 HA2 GLY 208 3.953 33.691 15.276 744 HA3 GLY 208 HA1 GLY 208 3.512 35.221 14.546 745 H VAL 209 HN VAL 209 3.325 33.911 17.883 746 HA VAL 209 HA VAL 209 4.951 36.214 18.843 747 HB VAL 209 HB VAL 209 3.725 36.096 21.016 748 HG11 VAL 209 HG11 VAL 209 1.625 37.141 20.263 749 HG12 VAL 209 HG12 VAL 209 1.893 36.525 18.630 750 HG13 VAL 209 HG13 VAL 209 2.999 37.718 19.317 751 HG21 VAL 209 HG21 VAL 209 1.604 34.824 21.205 752 HG22 VAL 209 HG22 VAL 209 2.976 33.744 20.964 753 HG23 VAL 209 HG23 VAL 209 1.888 34.099 19.620 754 H ASN 210 HN ASN 210 6.723 35.741 20.098 755 HA ASN 210 HA ASN 210 7.480 32.923 20.366 756 HB2 ASN 210 HB2 ASN 210 9.119 34.580 19.448 757 HB3 ASN 210 HB1 ASN 210 9.133 35.415 20.996 758 HD21 ASN 210 HD21 ASN 210 10.000 32.440 19.346 759 HD22 ASN 210 HD22 ASN 210 11.147 31.895 20.520 760 H ILE 211 HN ILE 211 7.051 31.849 22.163 761 HA ILE 211 HA ILE 211 6.869 33.078 24.819 762 HB ILE 211 HB ILE 211 4.591 31.898 25.142 763 HG12 ILE 211 HG12 ILE 211 4.699 31.805 22.087 764 HG13 ILE 211 HG11 ILE 211 4.627 30.422 23.170 765 HG21 ILE 211 HG21 ILE 211 3.273 33.766 24.224 766 HG22 ILE 211 HG22 ILE 211 4.638 34.254 23.219 767 HG23 ILE 211 HG23 ILE 211 4.759 34.348 24.976 768 HD11 ILE 211 HD11 ILE 211 2.449 32.458 22.736 769 HD12 ILE 211 HD12 ILE 211 2.362 31.078 23.835 770 HD13 ILE 211 HD13 ILE 211 2.504 30.815 22.095 771 HA PRO 212 HA PRO 212 8.409 29.050 26.298 772 HB2 PRO 212 HB2 PRO 212 6.767 28.655 28.543 773 HB3 PRO 212 HB1 PRO 212 8.233 29.642 28.524 774 HG2 PRO 212 HG2 PRO 212 5.363 30.517 28.204 775 HG3 PRO 212 HG1 PRO 212 6.656 31.246 29.183 776 HD2 PRO 212 HD2 PRO 212 6.003 32.323 26.829 777 HD3 PRO 212 HD1 PRO 212 7.714 32.199 27.297 778 H GLU 213 HN GLU 213 7.806 26.808 26.479 779 HA GLU 213 HA GLU 213 6.049 26.021 24.421 780 HB2 GLU 213 HB2 GLU 213 8.199 24.923 24.994 781 HB3 GLU 213 HB1 GLU 213 7.485 24.292 26.470 782 HG2 GLU 213 HG2 GLU 213 6.034 22.826 25.251 783 HG3 GLU 213 HG1 GLU 213 6.393 23.629 23.723 784 H SER 214 HN SER 214 5.602 25.984 27.921 785 HA SER 214 HA SER 214 3.201 24.488 28.053 786 HB2 SER 214 HB2 SER 214 4.023 26.839 29.832 787 HB3 SER 214 HB1 SER 214 2.901 25.540 30.249 788 HG SER 214 HG SER 214 4.655 24.673 31.044 789 H HIS 215 HN HIS 215 3.871 27.918 27.492 790 HA HIS 215 HA HIS 215 1.087 28.724 27.385 791 HB2 HIS 215 HB2 HIS 215 2.893 30.170 28.341 792 HB3 HIS 215 HB1 HIS 215 3.608 30.315 26.741 793 HD1 HIS 215 HD1 HIS 215 3.297 32.851 26.714 794 HD2 HIS 215 HD2 HIS 215 -0.286 30.795 27.170 795 HE1 HIS 215 HE1 HIS 215 1.488 34.549 26.401 796 HE2 HIS 215 HE2 HIS 215 -0.653 33.327 26.848 797 H ILE 216 HN ILE 216 3.500 27.647 25.078 798 HA ILE 216 HA ILE 216 2.279 28.804 22.764 799 HB ILE 216 HB ILE 216 4.725 27.802 22.956 800 HG12 ILE 216 HG12 ILE 216 3.710 28.858 20.887 801 HG13 ILE 216 HG11 ILE 216 4.927 27.641 20.547 802 HG21 ILE 216 HG21 ILE 216 4.127 25.488 23.536 803 HG22 ILE 216 HG22 ILE 216 5.029 25.535 22.028 804 HG23 ILE 216 HG23 ILE 216 3.280 25.295 22.004 805 HD11 ILE 216 HD11 ILE 216 1.938 27.336 20.285 806 HD12 ILE 216 HD12 ILE 216 3.103 26.034 20.043 807 HD13 ILE 216 HD13 ILE 216 3.126 27.441 18.987 808 H ASN 217 HN ASN 217 2.024 25.712 24.467 809 HA ASN 217 HA ASN 217 0.191 24.397 22.818 810 HB2 ASN 217 HB2 ASN 217 1.403 23.318 24.709 811 HB3 ASN 217 HB1 ASN 217 0.465 24.273 25.855 812 HD21 ASN 217 HD21 ASN 217 -0.429 22.468 26.869 813 HD22 ASN 217 HD22 ASN 217 -1.608 21.457 26.112 814 H LYS 218 HN LYS 218 -0.350 26.525 25.647 815 HA LYS 218 HA LYS 218 -3.172 26.338 25.691 816 HB2 LYS 218 HB2 LYS 218 -1.455 27.180 27.525 817 HB3 LYS 218 HB1 LYS 218 -1.696 28.759 26.786 818 HG2 LYS 218 HG2 LYS 218 -3.215 28.681 28.606 819 HG3 LYS 218 HG1 LYS 218 -4.208 28.410 27.171 820 HD2 LYS 218 HD2 LYS 218 -3.936 25.889 27.642 821 HD3 LYS 218 HD1 LYS 218 -3.268 26.357 29.206 822 HE2 LYS 218 HE2 LYS 218 -5.597 25.830 29.508 823 HE3 LYS 218 HE1 LYS 218 -5.428 27.581 29.667 824 HZ1 LYS 218 HZ1 LYS 218 -7.327 27.019 28.317 825 HZ2 LYS 218 HZ2 LYS 218 -6.367 26.110 27.266 826 HZ3 LYS 218 HZ3 LYS 218 -6.168 27.786 27.354 827 H HIS 219 HN HIS 219 -1.022 28.857 24.332 828 HA HIS 219 HA HIS 219 -3.055 30.665 23.545 829 HB2 HIS 219 HB2 HIS 219 -0.324 30.909 23.667 830 HB3 HIS 219 HB1 HIS 219 -0.507 30.693 21.936 831 HD2 HIS 219 HD2 HIS 219 -2.158 33.006 24.669 832 HE1 HIS 219 HE1 HIS 219 -1.495 35.298 21.202 833 HE2 HIS 219 HE2 HIS 219 -2.492 35.275 23.507 834 H LEU 220 HN LEU 220 -1.485 27.933 22.023 835 HA LEU 220 HA LEU 220 -2.479 28.269 19.416 836 HB2 LEU 220 HB2 LEU 220 -0.534 26.883 19.989 837 HB3 LEU 220 HB1 LEU 220 -1.581 25.771 20.864 838 HG LEU 220 HG LEU 220 -2.730 25.182 18.754 839 HD11 LEU 220 HD11 LEU 220 -1.889 25.955 16.589 840 HD12 LEU 220 HD12 LEU 220 -0.720 27.008 17.389 841 HD13 LEU 220 HD13 LEU 220 -2.451 27.314 17.558 842 HD21 LEU 220 HD21 LEU 220 -0.962 23.850 17.818 843 HD22 LEU 220 HD22 LEU 220 -0.729 23.926 19.559 844 HD23 LEU 220 HD23 LEU 220 0.275 24.912 18.492 845 H ASP 221 HN ASP 221 -3.727 26.495 22.285 846 HA ASP 221 HA ASP 221 -5.896 25.171 21.122 847 HB2 ASP 221 HB2 ASP 221 -5.369 26.227 23.909 848 HB3 ASP 221 HB1 ASP 221 -6.988 25.664 23.528 849 H SER 222 HN SER 222 -5.595 28.538 22.159 850 HA SER 222 HA SER 222 -8.309 29.277 21.435 851 HB2 SER 222 HB2 SER 222 -7.078 30.552 23.155 852 HB3 SER 222 HB1 SER 222 -5.840 30.995 21.977 853 HG SER 222 HG SER 222 -8.573 31.635 21.553 854 H CYS 223 HN CYS 223 -5.115 29.432 19.907 855 HA CYS 223 HA CYS 223 -5.911 31.209 17.807 856 HB2 CYS 223 HB2 CYS 223 -3.319 29.783 18.451 857 HB3 CYS 223 HB1 CYS 223 -3.505 30.771 17.007 858 H LEU 224 HN LEU 224 -5.943 27.761 18.088 859 HA LEU 224 HA LEU 224 -5.634 27.276 15.211 860 HB2 LEU 224 HB2 LEU 224 -5.551 24.929 15.710 861 HB3 LEU 224 HB1 LEU 224 -4.528 25.765 16.854 862 HG LEU 224 HG LEU 224 -6.609 25.531 18.486 863 HD11 LEU 224 HD11 LEU 224 -7.187 23.224 16.593 864 HD12 LEU 224 HD12 LEU 224 -8.232 24.612 16.896 865 HD13 LEU 224 HD13 LEU 224 -7.910 23.460 18.187 866 HD21 LEU 224 HD21 LEU 224 -5.718 23.406 19.331 867 HD22 LEU 224 HD22 LEU 224 -4.427 24.519 18.888 868 HD23 LEU 224 HD23 LEU 224 -4.830 23.170 17.822 869 H SER 225 HN SER 225 -8.052 27.401 17.707 870 HA SER 225 HA SER 225 -10.228 26.456 16.051 871 HB2 SER 225 HB2 SER 225 -10.155 26.116 18.559 872 HB3 SER 225 HB1 SER 225 -10.342 27.855 18.764 873 HG SER 225 HG SER 225 -12.353 27.709 17.728 874 H ARG 226 HN ARG 226 -9.754 27.955 14.295 875 HA ARG 226 HA ARG 226 -10.231 30.776 14.551 876 HB2 ARG 226 HB2 ARG 226 -8.841 29.650 12.734 877 HB3 ARG 226 HB1 ARG 226 -10.347 29.112 12.000 878 HG2 ARG 226 HG2 ARG 226 -11.023 31.426 11.584 879 HG3 ARG 226 HG1 ARG 226 -9.615 32.027 12.460 880 HD2 ARG 226 HD2 ARG 226 -9.560 30.461 9.857 881 HD3 ARG 226 HD1 ARG 226 -9.265 32.194 10.038 882 HE ARG 226 HE ARG 226 -7.516 30.475 11.592 883 HH11 ARG 226 HH11 ARG 226 -7.865 32.258 8.581 884 HH12 ARG 226 HH12 ARG 226 -6.164 32.236 8.243 885 HH21 ARG 226 HH21 ARG 226 -5.315 30.424 11.115 886 HH22 ARG 226 HH22 ARG 226 -4.723 31.187 9.673 887 H GLU 227 HN GLU 227 -12.181 27.962 14.067 888 HA GLU 227 HA GLU 227 -14.673 29.268 13.539 889 HB2 GLU 227 HB2 GLU 227 -15.646 27.005 14.245 890 HB3 GLU 227 HB1 GLU 227 -14.538 26.981 12.883 891 HG2 GLU 227 HG2 GLU 227 -12.720 26.184 14.398 892 HG3 GLU 227 HG1 GLU 227 -13.874 26.144 15.727
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