NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
274168 | 2k9i | 15987 | 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 1HT GLY 2 -17.925 15.564 -10.055 2 H2 GLY 2 2HT GLY 2 -19.169 15.530 -8.905 3 H3 GLY 2 3HT GLY 2 -19.535 15.789 -10.539 4 HA2 GLY 2 1HA GLY 2 -20.089 13.534 -9.924 5 HA3 GLY 2 2HA GLY 2 -18.777 13.565 -11.096 6 H ARG 3 H ARG 3 -19.658 11.695 -8.853 7 HA ARG 3 HA ARG 3 -18.808 10.458 -7.147 8 HB2 ARG 3 2HB ARG 3 -16.245 11.014 -8.644 9 HB3 ARG 3 1HB ARG 3 -16.411 9.811 -7.372 10 HG2 ARG 3 2HG ARG 3 -18.156 8.690 -8.754 11 HG3 ARG 3 1HG ARG 3 -17.783 9.831 -10.051 12 HD2 ARG 3 2HD ARG 3 -15.811 7.945 -8.767 13 HD3 ARG 3 1HD ARG 3 -16.609 7.677 -10.316 14 HE ARG 3 HE ARG 3 -15.422 10.096 -10.628 15 HH11 ARG 3 1HH1 ARG 3 -14.191 6.961 -9.592 16 HH12 ARG 3 2HH1 ARG 3 -12.620 7.237 -10.270 17 HH21 ARG 3 1HH2 ARG 3 -13.355 10.430 -11.489 18 HH22 ARG 3 2HH2 ARG 3 -12.141 9.188 -11.343 19 HA PRO 4 HA PRO 4 -17.314 14.158 -4.714 20 HB2 PRO 4 2HB PRO 4 -19.733 13.787 -3.131 21 HB3 PRO 4 1HB PRO 4 -19.183 15.227 -3.997 22 HG2 PRO 4 2HG PRO 4 -21.342 13.786 -4.776 23 HG3 PRO 4 1HG PRO 4 -20.304 14.656 -5.922 24 HD2 PRO 4 2HD PRO 4 -20.338 11.738 -5.231 25 HD3 PRO 4 1HD PRO 4 -20.179 12.518 -6.820 26 H TYR 5 H TYR 5 -18.685 11.053 -3.959 27 HA TYR 5 HA TYR 5 -16.844 10.687 -1.755 28 HB2 TYR 5 2HB TYR 5 -18.628 10.042 -0.171 29 HB3 TYR 5 1HB TYR 5 -18.767 11.732 -0.647 30 HD1 TYR 5 2HD TYR 5 -20.604 12.468 -2.097 31 HD2 TYR 5 1HD TYR 5 -20.315 8.426 -0.802 32 HE1 TYR 5 2HE TYR 5 -22.929 12.082 -2.793 33 HE2 TYR 5 1HE TYR 5 -22.640 8.033 -1.493 34 HH TYR 5 HH TYR 5 -24.363 10.218 -3.442 35 H LYS 6 H LYS 6 -17.071 8.447 -0.873 36 HA LYS 6 HA LYS 6 -17.052 6.202 -1.095 37 HB2 LYS 6 2HB LYS 6 -19.483 6.467 -1.343 38 HB3 LYS 6 1HB LYS 6 -19.285 6.643 -3.081 39 HG2 LYS 6 2HG LYS 6 -20.017 4.401 -2.536 40 HG3 LYS 6 1HG LYS 6 -18.381 4.366 -3.199 41 HD2 LYS 6 2HD LYS 6 -17.469 4.206 -0.934 42 HD3 LYS 6 1HD LYS 6 -19.102 4.246 -0.274 43 HE2 LYS 6 2HE LYS 6 -19.629 2.163 -1.433 44 HE3 LYS 6 1HE LYS 6 -18.005 2.126 -2.118 45 HZ1 LYS 6 3HZ LYS 6 -17.068 1.845 0.042 46 HZ2 LYS 6 1HZ LYS 6 -18.307 0.698 -0.129 47 HZ3 LYS 6 2HZ LYS 6 -18.568 2.095 0.798 48 H LEU 7 H LEU 7 -17.694 7.338 -4.435 49 HA LEU 7 HA LEU 7 -16.029 5.175 -5.419 50 HB2 LEU 7 2HB LEU 7 -17.657 7.244 -6.893 51 HB3 LEU 7 1HB LEU 7 -16.836 5.888 -7.640 52 HG LEU 7 HG LEU 7 -19.103 5.679 -5.652 53 HD11 LEU 7 1HD1 LEU 7 -19.029 5.204 -8.627 54 HD12 LEU 7 2HD1 LEU 7 -19.850 6.528 -7.803 55 HD13 LEU 7 3HD1 LEU 7 -20.396 4.868 -7.566 56 HD21 LEU 7 3HD2 LEU 7 -17.601 3.789 -5.462 57 HD22 LEU 7 1HD2 LEU 7 -17.627 3.562 -7.211 58 HD23 LEU 7 2HD2 LEU 7 -19.091 3.294 -6.266 59 H LEU 8 H LEU 8 -14.908 7.624 -4.071 60 HA LEU 8 HA LEU 8 -13.112 8.596 -6.140 61 HB2 LEU 8 2HB LEU 8 -13.342 9.113 -3.177 62 HB3 LEU 8 1HB LEU 8 -11.987 9.700 -4.122 63 HG LEU 8 HG LEU 8 -14.871 10.417 -4.648 64 HD11 LEU 8 1HD1 LEU 8 -14.075 11.316 -2.508 65 HD12 LEU 8 2HD1 LEU 8 -14.326 12.584 -3.706 66 HD13 LEU 8 3HD1 LEU 8 -12.692 12.034 -3.334 67 HD21 LEU 8 3HD2 LEU 8 -12.277 11.463 -5.781 68 HD22 LEU 8 1HD2 LEU 8 -13.872 12.149 -6.089 69 HD23 LEU 8 2HD2 LEU 8 -13.493 10.518 -6.641 70 H ASN 9 H ASN 9 -13.127 6.518 -3.294 71 HA ASN 9 HA ASN 9 -11.655 4.993 -2.483 72 HB2 ASN 9 2HB ASN 9 -11.804 4.474 -5.424 73 HB3 ASN 9 1HB ASN 9 -10.734 3.495 -4.422 74 HD21 ASN 9 1HD2 ASN 9 -13.225 2.836 -5.888 75 HD22 ASN 9 2HD2 ASN 9 -14.275 2.140 -4.696 76 H GLY 10 H GLY 10 -10.441 7.360 -2.423 77 HA2 GLY 10 2HA GLY 10 -7.718 6.480 -2.357 78 HA3 GLY 10 1HA GLY 10 -7.995 7.751 -3.543 79 H ILE 11 H ILE 11 -7.543 6.995 -0.269 80 HA ILE 11 HA ILE 11 -7.953 9.824 0.467 81 HB ILE 11 HB ILE 11 -8.148 7.472 2.363 82 HG12 ILE 11 2HG1 ILE 11 -9.966 7.381 0.693 83 HG13 ILE 11 1HG1 ILE 11 -10.568 7.732 2.310 84 HG21 ILE 11 1HG2 ILE 11 -9.198 9.107 3.868 85 HG22 ILE 11 2HG2 ILE 11 -8.916 10.369 2.668 86 HG23 ILE 11 3HG2 ILE 11 -7.549 9.560 3.435 87 HD11 ILE 11 3HD1 ILE 11 -10.139 9.734 0.102 88 HD12 ILE 11 1HD1 ILE 11 -10.731 10.102 1.721 89 HD13 ILE 11 2HD1 ILE 11 -11.692 9.091 0.640 90 H LYS 12 H LYS 12 -6.429 10.560 2.194 91 HA LYS 12 HA LYS 12 -3.792 9.605 1.361 92 HB2 LYS 12 2HB LYS 12 -4.205 11.895 0.829 93 HB3 LYS 12 1HB LYS 12 -4.791 12.234 2.447 94 HG2 LYS 12 2HG LYS 12 -2.580 13.169 2.085 95 HG3 LYS 12 1HG LYS 12 -2.547 11.930 3.339 96 HD2 LYS 12 2HD LYS 12 -1.566 10.345 1.858 97 HD3 LYS 12 1HD LYS 12 -1.831 11.396 0.463 98 HE2 LYS 12 2HE LYS 12 -0.098 12.170 2.799 99 HE3 LYS 12 1HE LYS 12 0.524 11.332 1.380 100 HZ1 LYS 12 3HZ LYS 12 0.661 13.872 1.453 101 HZ2 LYS 12 1HZ LYS 12 -0.993 13.854 1.099 102 HZ3 LYS 12 2HZ LYS 12 0.113 13.148 0.025 103 H LEU 13 H LEU 13 -2.395 8.767 2.678 104 HA LEU 13 HA LEU 13 -2.668 9.176 5.569 105 HB2 LEU 13 2HB LEU 13 -1.727 6.817 5.798 106 HB3 LEU 13 1HB LEU 13 -3.413 6.961 5.348 107 HG LEU 13 HG LEU 13 -1.335 6.596 3.214 108 HD11 LEU 13 1HD1 LEU 13 -2.592 4.392 4.843 109 HD12 LEU 13 2HD1 LEU 13 -0.887 4.844 4.855 110 HD13 LEU 13 3HD1 LEU 13 -1.613 4.178 3.392 111 HD21 LEU 13 3HD2 LEU 13 -3.220 5.455 2.099 112 HD22 LEU 13 1HD2 LEU 13 -3.598 7.131 2.509 113 HD23 LEU 13 2HD2 LEU 13 -4.238 5.812 3.493 114 H GLY 14 H GLY 14 -0.801 9.625 6.616 115 HA2 GLY 14 2HA GLY 14 1.542 10.036 4.885 116 HA3 GLY 14 1HA GLY 14 1.191 10.922 6.363 117 H VAL 15 H VAL 15 2.969 8.444 5.018 118 HA VAL 15 HA VAL 15 3.223 6.995 7.563 119 HB VAL 15 HB VAL 15 4.279 6.115 4.876 120 HG11 VAL 15 1HG1 VAL 15 5.277 4.984 6.759 121 HG12 VAL 15 2HG1 VAL 15 4.205 3.879 5.900 122 HG13 VAL 15 3HG1 VAL 15 3.684 4.611 7.417 123 HG21 VAL 15 3HG2 VAL 15 1.599 5.470 6.100 124 HG22 VAL 15 1HG2 VAL 15 2.280 4.706 4.662 125 HG23 VAL 15 2HG2 VAL 15 1.884 6.424 4.646 126 H TYR 16 H TYR 16 5.216 6.694 8.518 127 HA TYR 16 HA TYR 16 7.529 7.968 7.232 128 HB2 TYR 16 2HB TYR 16 6.480 8.349 9.978 129 HB3 TYR 16 1HB TYR 16 8.229 8.212 9.808 130 HD1 TYR 16 1HD TYR 16 9.320 9.691 8.013 131 HD2 TYR 16 2HD TYR 16 5.470 10.453 9.648 132 HE1 TYR 16 1HE TYR 16 9.485 12.017 7.290 133 HE2 TYR 16 2HE TYR 16 5.629 12.803 8.931 134 HH TYR 16 HH TYR 16 7.379 14.453 8.377 135 H ILE 17 H ILE 17 9.082 6.599 6.843 136 HA ILE 17 HA ILE 17 9.335 4.209 8.542 137 HB ILE 17 HB ILE 17 9.791 2.835 6.605 138 HG12 ILE 17 2HG1 ILE 17 9.228 5.326 4.976 139 HG13 ILE 17 1HG1 ILE 17 10.796 4.546 5.154 140 HG21 ILE 17 1HG2 ILE 17 7.550 2.828 5.579 141 HG22 ILE 17 2HG2 ILE 17 7.231 4.406 6.295 142 HG23 ILE 17 3HG2 ILE 17 7.474 3.001 7.333 143 HD11 ILE 17 3HD1 ILE 17 8.366 3.367 3.831 144 HD12 ILE 17 1HD1 ILE 17 9.920 2.558 4.026 145 HD13 ILE 17 2HD1 ILE 17 9.798 4.002 3.019 146 HA PRO 18 HA PRO 18 13.678 4.925 8.825 147 HB2 PRO 18 2HB PRO 18 14.134 2.189 7.748 148 HB3 PRO 18 1HB PRO 18 14.712 2.920 9.250 149 HG2 PRO 18 2HG PRO 18 12.738 1.134 9.278 150 HG3 PRO 18 1HG PRO 18 12.710 2.540 10.358 151 HD2 PRO 18 2HD PRO 18 11.188 2.054 7.834 152 HD3 PRO 18 1HD PRO 18 10.665 2.854 9.332 153 H GLN 19 H GLN 19 15.565 5.317 7.613 154 HA GLN 19 HA GLN 19 15.193 6.078 4.935 155 HB2 GLN 19 2HB GLN 19 16.913 7.119 6.288 156 HB3 GLN 19 1HB GLN 19 17.743 5.581 6.481 157 HG2 GLN 19 2HG GLN 19 18.892 6.953 4.859 158 HG3 GLN 19 1HG GLN 19 18.207 5.528 4.080 159 HE21 GLN 19 1HE2 GLN 19 16.469 5.764 2.671 160 HE22 GLN 19 2HE2 GLN 19 16.028 7.304 1.999 161 H GLU 20 H GLU 20 16.966 3.328 6.307 162 HA GLU 20 HA GLU 20 17.741 2.141 3.896 163 HB2 GLU 20 2HB GLU 20 17.215 0.881 6.591 164 HB3 GLU 20 1HB GLU 20 18.050 0.089 5.259 165 HG2 GLU 20 2HG GLU 20 18.960 2.646 6.551 166 HG3 GLU 20 1HG GLU 20 19.550 1.043 6.987 167 H TRP 21 H TRP 21 14.686 2.287 5.402 168 HA TRP 21 HA TRP 21 13.594 -0.085 4.177 169 HB2 TRP 21 2HB TRP 21 12.913 1.585 6.300 170 HB3 TRP 21 1HB TRP 21 11.689 1.927 5.084 171 HD1 TRP 21 HD TRP 21 13.225 -1.327 6.566 172 HE1 TRP 21 1HE TRP 21 11.274 -2.923 7.096 173 HE3 TRP 21 3HE TRP 21 9.383 1.569 4.936 174 HZ2 TRP 21 2HZ TRP 21 8.443 -2.928 6.840 175 HZ3 TRP 21 3HZ TRP 21 7.093 0.724 5.110 176 HH2 TRP 21 HH TRP 21 6.619 -1.459 6.048 177 H HIS 22 H HIS 22 13.132 3.431 3.860 178 HA HIS 22 HA HIS 22 11.564 3.433 1.543 179 HB2 HIS 22 2HB HIS 22 12.040 5.409 3.031 180 HB3 HIS 22 1HB HIS 22 13.643 5.502 2.309 181 HD1 HIS 22 1HD HIS 22 13.705 6.171 -0.295 182 HD2 HIS 22 2HD HIS 22 10.039 6.628 1.615 183 HE1 HIS 22 1HE HIS 22 12.331 7.631 -1.804 184 HE2 HIS 22 2HE HIS 22 10.075 7.792 -0.701 185 H ASP 23 H ASP 23 15.008 3.242 2.033 186 HA ASP 23 HA ASP 23 15.897 3.698 -0.587 187 HB2 ASP 23 2HB ASP 23 17.373 3.811 1.339 188 HB3 ASP 23 1HB ASP 23 17.131 2.098 1.662 189 H ARG 24 H ARG 24 15.427 0.561 1.105 190 HA ARG 24 HA ARG 24 16.160 -0.922 -1.241 191 HB2 ARG 24 2HB ARG 24 14.710 -2.020 1.169 192 HB3 ARG 24 1HB ARG 24 15.712 -2.899 0.030 193 HG2 ARG 24 2HG ARG 24 16.704 -0.828 1.971 194 HG3 ARG 24 1HG ARG 24 16.786 -2.569 2.209 195 HD2 ARG 24 2HD ARG 24 18.134 -2.669 0.070 196 HD3 ARG 24 1HD ARG 24 18.240 -0.911 0.158 197 HE ARG 24 HE ARG 24 19.569 -2.854 1.865 198 HH11 ARG 24 1HH1 ARG 24 18.852 0.564 1.319 199 HH12 ARG 24 2HH1 ARG 24 19.928 1.096 2.580 200 HH21 ARG 24 1HH2 ARG 24 20.965 -2.121 3.493 201 HH22 ARG 24 2HH2 ARG 24 21.109 -0.415 3.817 202 H LEU 25 H LEU 25 13.140 0.056 0.258 203 HA LEU 25 HA LEU 25 11.452 -1.620 -1.251 204 HB2 LEU 25 2HB LEU 25 11.115 0.792 0.428 205 HB3 LEU 25 1HB LEU 25 9.850 0.493 -0.749 206 HG LEU 25 HG LEU 25 9.293 -0.437 1.458 207 HD11 LEU 25 1HD1 LEU 25 8.723 -2.705 0.729 208 HD12 LEU 25 2HD1 LEU 25 9.797 -2.518 -0.658 209 HD13 LEU 25 3HD1 LEU 25 8.367 -1.498 -0.509 210 HD21 LEU 25 3HD2 LEU 25 10.519 -2.363 2.333 211 HD22 LEU 25 1HD2 LEU 25 11.541 -0.928 2.255 212 HD23 LEU 25 2HD2 LEU 25 11.706 -2.196 1.040 213 H MET 26 H MET 26 12.524 1.741 -1.778 214 HA MET 26 HA MET 26 11.107 2.060 -4.199 215 HB2 MET 26 2HB MET 26 13.459 3.513 -3.029 216 HB3 MET 26 1HB MET 26 12.800 3.928 -4.606 217 HG2 MET 26 2HG MET 26 11.304 3.960 -1.996 218 HG3 MET 26 1HG MET 26 11.908 5.366 -2.867 219 HE1 MET 26 3HE MET 26 9.712 5.201 -6.154 220 HE2 MET 26 1HE MET 26 11.270 4.412 -5.906 221 HE3 MET 26 2HE MET 26 11.012 6.056 -5.323 222 H GLU 27 H GLU 27 14.212 0.634 -3.487 223 HA GLU 27 HA GLU 27 15.229 0.617 -6.123 224 HB2 GLU 27 2HB GLU 27 16.515 0.071 -4.011 225 HB3 GLU 27 1HB GLU 27 15.718 -1.497 -4.014 226 HG2 GLU 27 2HG GLU 27 17.857 -1.788 -4.989 227 HG3 GLU 27 1HG GLU 27 16.670 -1.881 -6.293 228 H ILE 28 H ILE 28 13.493 -1.863 -4.267 229 HA ILE 28 HA ILE 28 13.105 -3.672 -6.401 230 HB ILE 28 HB ILE 28 11.341 -3.262 -3.971 231 HG12 ILE 28 2HG1 ILE 28 13.687 -5.134 -4.366 232 HG13 ILE 28 1HG1 ILE 28 13.715 -3.663 -3.399 233 HG21 ILE 28 1HG2 ILE 28 10.690 -5.601 -4.324 234 HG22 ILE 28 2HG2 ILE 28 11.664 -5.646 -5.793 235 HG23 ILE 28 3HG2 ILE 28 10.256 -4.587 -5.701 236 HD11 ILE 28 3HD1 ILE 28 12.034 -4.627 -1.904 237 HD12 ILE 28 1HD1 ILE 28 13.484 -5.624 -1.997 238 HD13 ILE 28 2HD1 ILE 28 12.030 -6.102 -2.871 239 H ALA 29 H ALA 29 11.388 -0.849 -5.295 240 HA ALA 29 HA ALA 29 9.040 -1.115 -6.814 241 HB1 ALA 29 1HB ALA 29 10.394 1.408 -5.873 242 HB2 ALA 29 2HB ALA 29 9.249 0.439 -4.942 243 HB3 ALA 29 3HB ALA 29 8.720 1.262 -6.409 244 H LYS 30 H LYS 30 12.255 -0.053 -7.688 245 HA LYS 30 HA LYS 30 11.447 1.226 -10.132 246 HB2 LYS 30 2HB LYS 30 14.148 0.181 -9.254 247 HB3 LYS 30 1HB LYS 30 13.870 1.144 -10.698 248 HG2 LYS 30 2HG LYS 30 13.328 2.072 -7.887 249 HG3 LYS 30 1HG LYS 30 14.791 2.426 -8.806 250 HD2 LYS 30 2HD LYS 30 13.311 3.463 -10.555 251 HD3 LYS 30 1HD LYS 30 11.977 3.299 -9.409 252 HE2 LYS 30 2HE LYS 30 12.938 5.532 -9.296 253 HE3 LYS 30 1HE LYS 30 13.201 4.658 -7.786 254 HZ1 LYS 30 3HZ LYS 30 15.177 5.871 -8.531 255 HZ2 LYS 30 1HZ LYS 30 15.216 4.955 -9.958 256 HZ3 LYS 30 2HZ LYS 30 15.464 4.206 -8.455 257 H GLU 31 H GLU 31 12.631 -1.904 -9.146 258 HA GLU 31 HA GLU 31 12.808 -3.110 -11.683 259 HB2 GLU 31 2HB GLU 31 13.763 -4.016 -9.583 260 HB3 GLU 31 1HB GLU 31 12.141 -4.385 -9.026 261 HG2 GLU 31 2HG GLU 31 11.858 -5.964 -10.847 262 HG3 GLU 31 1HG GLU 31 13.470 -5.573 -11.450 263 H LYS 32 H LYS 32 10.104 -2.539 -9.529 264 HA LYS 32 HA LYS 32 8.328 -4.177 -11.172 265 HB2 LYS 32 2HB LYS 32 8.245 -3.109 -8.408 266 HB3 LYS 32 1HB LYS 32 6.702 -3.279 -9.230 267 HG2 LYS 32 2HG LYS 32 7.351 -5.231 -7.831 268 HG3 LYS 32 1HG LYS 32 7.015 -5.621 -9.516 269 HD2 LYS 32 2HD LYS 32 9.412 -5.674 -9.983 270 HD3 LYS 32 1HD LYS 32 9.753 -5.253 -8.303 271 HE2 LYS 32 2HE LYS 32 8.950 -7.319 -7.514 272 HE3 LYS 32 1HE LYS 32 8.151 -7.684 -9.042 273 HZ1 LYS 32 3HZ LYS 32 10.217 -8.947 -8.691 274 HZ2 LYS 32 1HZ LYS 32 11.099 -7.497 -8.691 275 HZ3 LYS 32 2HZ LYS 32 10.267 -7.985 -10.086 276 H ASN 33 H ASN 33 9.336 -1.040 -11.180 277 HA ASN 33 HA ASN 33 8.628 0.894 -12.132 278 HB2 ASN 33 2HB ASN 33 8.095 -0.719 -14.015 279 HB3 ASN 33 1HB ASN 33 6.433 -0.725 -13.440 280 HD21 ASN 33 1HD2 ASN 33 8.955 1.179 -14.911 281 HD22 ASN 33 2HD2 ASN 33 7.924 2.440 -15.516 282 H LEU 34 H LEU 34 7.794 0.332 -9.591 283 HA LEU 34 HA LEU 34 5.196 1.702 -9.413 284 HB2 LEU 34 2HB LEU 34 6.169 -0.628 -7.748 285 HB3 LEU 34 1HB LEU 34 4.752 0.332 -7.364 286 HG LEU 34 HG LEU 34 5.075 -1.295 -9.886 287 HD11 LEU 34 1HD1 LEU 34 4.981 -2.741 -7.926 288 HD12 LEU 34 2HD1 LEU 34 3.485 -2.845 -8.854 289 HD13 LEU 34 3HD1 LEU 34 3.536 -1.903 -7.364 290 HD21 LEU 34 3HD2 LEU 34 2.672 -0.907 -10.134 291 HD22 LEU 34 1HD2 LEU 34 3.568 0.612 -10.127 292 HD23 LEU 34 2HD2 LEU 34 2.682 0.103 -8.689 293 H THR 35 H THR 35 4.922 2.695 -7.170 294 HA THR 35 HA THR 35 7.542 3.580 -6.155 295 HB THR 35 HB THR 35 6.279 5.381 -4.981 296 HG1 THR 35 1HG THR 35 4.113 4.076 -6.250 297 HG21 THR 35 3HG2 THR 35 5.883 5.268 -7.971 298 HG22 THR 35 1HG2 THR 35 7.327 5.834 -7.131 299 HG23 THR 35 2HG2 THR 35 5.813 6.725 -6.981 300 H LEU 36 H LEU 36 7.695 3.780 -3.717 301 HA LEU 36 HA LEU 36 7.126 1.308 -2.535 302 HB2 LEU 36 2HB LEU 36 8.073 2.115 -0.570 303 HB3 LEU 36 1HB LEU 36 8.871 3.022 -1.835 304 HG LEU 36 HG LEU 36 6.571 4.111 -0.217 305 HD11 LEU 36 1HD1 LEU 36 8.249 5.326 1.059 306 HD12 LEU 36 2HD1 LEU 36 9.532 4.511 0.162 307 HD13 LEU 36 3HD1 LEU 36 8.472 3.585 1.225 308 HD21 LEU 36 3HD2 LEU 36 7.380 6.274 -1.043 309 HD22 LEU 36 1HD2 LEU 36 6.901 5.212 -2.368 310 HD23 LEU 36 2HD2 LEU 36 8.609 5.445 -1.998 311 H SER 37 H SER 37 5.303 4.276 -2.577 312 HA SER 37 HA SER 37 3.404 3.765 -0.614 313 HB2 SER 37 2HB SER 37 2.944 5.112 -3.287 314 HB3 SER 37 1HB SER 37 1.988 5.331 -1.821 315 HG SER 37 HG SER 37 3.376 6.763 -1.201 316 H ASP 38 H ASP 38 3.545 2.709 -3.988 317 HA ASP 38 HA ASP 38 1.017 1.430 -4.036 318 HB2 ASP 38 2HB ASP 38 3.474 0.798 -5.692 319 HB3 ASP 38 1HB ASP 38 1.827 0.302 -6.054 320 H VAL 39 H VAL 39 4.291 0.345 -3.320 321 HA VAL 39 HA VAL 39 3.704 -2.404 -3.054 322 HB VAL 39 HB VAL 39 5.931 -0.865 -1.703 323 HG11 VAL 39 1HG1 VAL 39 5.676 -3.790 -2.404 324 HG12 VAL 39 2HG1 VAL 39 5.623 -3.095 -0.782 325 HG13 VAL 39 3HG1 VAL 39 7.112 -3.017 -1.728 326 HG21 VAL 39 3HG2 VAL 39 5.872 -2.183 -4.419 327 HG22 VAL 39 1HG2 VAL 39 7.303 -1.507 -3.642 328 HG23 VAL 39 2HG2 VAL 39 5.966 -0.451 -4.096 329 H CYS 40 H CYS 40 3.650 0.279 -0.780 330 HA CYS 40 HA CYS 40 3.277 -1.254 1.572 331 HB2 CYS 40 2HB CYS 40 3.834 1.321 1.150 332 HB3 CYS 40 1HB CYS 40 2.091 1.501 1.305 333 HG CYS 40 HG CYS 40 3.227 -0.325 3.781 334 H ARG 41 H ARG 41 0.916 0.587 -0.348 335 HA ARG 41 HA ARG 41 -1.456 -0.412 0.492 336 HB2 ARG 41 2HB ARG 41 -1.253 1.277 -1.247 337 HB3 ARG 41 1HB ARG 41 -0.558 0.104 -2.351 338 HG2 ARG 41 2HG ARG 41 -3.277 -0.428 -1.278 339 HG3 ARG 41 1HG ARG 41 -3.084 0.839 -2.490 340 HD2 ARG 41 2HD ARG 41 -2.096 -0.726 -4.036 341 HD3 ARG 41 1HD ARG 41 -2.118 -2.002 -2.813 342 HE ARG 41 HE ARG 41 -4.728 -1.230 -3.024 343 HH11 ARG 41 1HH1 ARG 41 -2.348 -2.225 -5.402 344 HH12 ARG 41 2HH1 ARG 41 -3.515 -3.062 -6.388 345 HH21 ARG 41 1HH2 ARG 41 -6.240 -2.284 -4.324 346 HH22 ARG 41 2HH2 ARG 41 -5.733 -3.091 -5.779 347 H LEU 42 H LEU 42 0.699 -2.004 -1.864 348 HA LEU 42 HA LEU 42 -0.951 -4.266 -2.276 349 HB2 LEU 42 2HB LEU 42 2.019 -3.883 -2.621 350 HB3 LEU 42 1HB LEU 42 1.167 -5.333 -3.111 351 HG LEU 42 HG LEU 42 0.602 -2.577 -4.196 352 HD11 LEU 42 1HD1 LEU 42 1.723 -3.344 -6.217 353 HD12 LEU 42 2HD1 LEU 42 2.118 -4.873 -5.433 354 HD13 LEU 42 3HD1 LEU 42 2.827 -3.371 -4.843 355 HD21 LEU 42 3HD2 LEU 42 -1.325 -4.068 -4.268 356 HD22 LEU 42 1HD2 LEU 42 -0.345 -5.313 -5.044 357 HD23 LEU 42 2HD2 LEU 42 -0.682 -3.802 -5.890 358 H ALA 43 H ALA 43 1.258 -3.400 0.210 359 HA ALA 43 HA ALA 43 1.880 -5.999 1.135 360 HB1 ALA 43 1HB ALA 43 2.000 -3.370 2.592 361 HB2 ALA 43 2HB ALA 43 3.285 -4.064 1.602 362 HB3 ALA 43 3HB ALA 43 2.782 -4.870 3.089 363 H ILE 44 H ILE 44 -0.443 -3.523 2.267 364 HA ILE 44 HA ILE 44 -1.477 -5.185 4.333 365 HB ILE 44 HB ILE 44 -3.518 -3.549 4.108 366 HG12 ILE 44 2HG1 ILE 44 -1.331 -2.033 2.673 367 HG13 ILE 44 1HG1 ILE 44 -2.854 -2.573 1.971 368 HG21 ILE 44 1HG2 ILE 44 -2.147 -3.576 6.033 369 HG22 ILE 44 2HG2 ILE 44 -2.253 -1.897 5.500 370 HG23 ILE 44 3HG2 ILE 44 -0.802 -2.840 5.166 371 HD11 ILE 44 3HD1 ILE 44 -2.557 -0.568 4.197 372 HD12 ILE 44 1HD1 ILE 44 -4.078 -1.111 3.491 373 HD13 ILE 44 2HD1 ILE 44 -2.926 -0.205 2.510 374 H LYS 45 H LYS 45 -2.210 -4.758 0.959 375 HA LYS 45 HA LYS 45 -4.706 -6.001 0.911 376 HB2 LYS 45 2HB LYS 45 -3.745 -4.845 -1.039 377 HB3 LYS 45 1HB LYS 45 -2.545 -6.120 -1.203 378 HG2 LYS 45 2HG LYS 45 -4.441 -6.319 -2.785 379 HG3 LYS 45 1HG LYS 45 -4.231 -7.732 -1.745 380 HD2 LYS 45 2HD LYS 45 -6.019 -6.926 -0.287 381 HD3 LYS 45 1HD LYS 45 -6.218 -5.501 -1.307 382 HE2 LYS 45 2HE LYS 45 -7.918 -7.194 -1.775 383 HE3 LYS 45 1HE LYS 45 -6.885 -6.904 -3.173 384 HZ1 LYS 45 3HZ LYS 45 -7.363 -9.271 -2.754 385 HZ2 LYS 45 1HZ LYS 45 -6.536 -9.173 -1.276 386 HZ3 LYS 45 2HZ LYS 45 -5.705 -8.922 -2.738 387 H GLU 46 H GLU 46 -1.449 -7.431 0.593 388 HA GLU 46 HA GLU 46 -2.499 -10.100 0.569 389 HB2 GLU 46 2HB GLU 46 -0.323 -9.474 -0.512 390 HB3 GLU 46 1HB GLU 46 0.354 -9.240 1.095 391 HG2 GLU 46 2HG GLU 46 0.033 -11.554 1.630 392 HG3 GLU 46 1HG GLU 46 -0.832 -11.826 0.122 393 H TYR 47 H TYR 47 -1.490 -7.803 2.944 394 HA TYR 47 HA TYR 47 -1.057 -9.509 5.119 395 HB2 TYR 47 2HB TYR 47 -0.461 -7.136 5.184 396 HB3 TYR 47 1HB TYR 47 -2.157 -6.688 5.073 397 HD1 TYR 47 2HD TYR 47 0.465 -8.031 7.258 398 HD2 TYR 47 1HD TYR 47 -3.605 -6.816 7.012 399 HE1 TYR 47 2HE TYR 47 0.321 -8.027 9.712 400 HE2 TYR 47 1HE TYR 47 -3.757 -6.807 9.465 401 HH TYR 47 HH TYR 47 -2.580 -7.939 11.386 402 H LEU 48 H LEU 48 -3.985 -7.949 3.898 403 HA LEU 48 HA LEU 48 -5.754 -8.953 5.853 404 HB2 LEU 48 2HB LEU 48 -6.324 -8.171 2.990 405 HB3 LEU 48 1HB LEU 48 -7.531 -8.401 4.239 406 HG LEU 48 HG LEU 48 -5.400 -6.262 4.241 407 HD11 LEU 48 1HD1 LEU 48 -7.073 -5.840 2.545 408 HD12 LEU 48 2HD1 LEU 48 -7.302 -4.734 3.900 409 HD13 LEU 48 3HD1 LEU 48 -8.365 -6.129 3.710 410 HD21 LEU 48 3HD2 LEU 48 -6.011 -6.991 6.492 411 HD22 LEU 48 1HD2 LEU 48 -7.714 -6.739 6.115 412 HD23 LEU 48 2HD2 LEU 48 -6.609 -5.365 6.162 413 H ASP 49 H ASP 49 -5.049 -10.045 2.556 414 HA ASP 49 HA ASP 49 -6.709 -12.298 2.545 415 HB2 ASP 49 2HB ASP 49 -4.302 -11.460 0.978 416 HB3 ASP 49 1HB ASP 49 -4.959 -13.078 0.753 417 H ASN 50 H ASN 50 -3.539 -11.835 3.887 418 HA ASN 50 HA ASN 50 -3.005 -14.665 4.177 419 HB2 ASN 50 2HB ASN 50 -1.253 -12.867 3.776 420 HB3 ASN 50 1HB ASN 50 -1.504 -12.373 5.445 421 HD21 ASN 50 1HD2 ASN 50 0.875 -13.397 4.123 422 HD22 ASN 50 2HD2 ASN 50 1.357 -14.801 5.010 423 H HIS 51 H HIS 51 -4.006 -11.973 6.247 424 HA HIS 51 HA HIS 51 -3.844 -13.662 8.613 425 HB2 HIS 51 2HB HIS 51 -4.296 -10.733 8.167 426 HB3 HIS 51 1HB HIS 51 -4.699 -11.463 9.717 427 HD1 HIS 51 1HD HIS 51 -2.885 -11.139 11.350 428 HD2 HIS 51 2HD HIS 51 -1.397 -11.614 7.492 429 HE1 HIS 51 1HE HIS 51 -0.388 -10.979 11.563 430 HE2 HIS 51 2HE HIS 51 0.498 -11.162 9.210 431 H ASP 52 H ASP 52 -6.207 -12.716 6.337 432 HA ASP 52 HA ASP 52 -8.189 -14.140 7.949 433 HB2 ASP 52 2HB ASP 52 -8.695 -11.729 8.215 434 HB3 ASP 52 1HB ASP 52 -8.810 -11.574 6.463 435 H LYS 53 H LYS 53 -9.293 -15.603 6.832 436 HA LYS 53 HA LYS 53 -8.610 -15.859 3.985 437 HB2 LYS 53 2HB LYS 53 -9.722 -17.932 5.866 438 HB3 LYS 53 1HB LYS 53 -9.055 -18.220 4.264 439 HG2 LYS 53 2HG LYS 53 -7.519 -17.263 6.677 440 HG3 LYS 53 1HG LYS 53 -7.497 -18.895 6.011 441 HD2 LYS 53 2HD LYS 53 -6.607 -16.419 4.533 442 HD3 LYS 53 1HD LYS 53 -5.529 -17.542 5.358 443 HE2 LYS 53 2HE LYS 53 -7.364 -18.219 3.062 444 HE3 LYS 53 1HE LYS 53 -5.620 -17.981 2.952 445 HZ1 LYS 53 3HZ LYS 53 -7.067 -20.157 4.357 446 HZ2 LYS 53 1HZ LYS 53 -5.411 -19.853 4.582 447 HZ3 LYS 53 2HZ LYS 53 -5.994 -20.293 3.053 448 H GLN 54 H GLN 54 -11.047 -14.750 5.859 449 HA GLN 54 HA GLN 54 -13.274 -15.911 4.418 450 HB2 GLN 54 2HB GLN 54 -13.326 -13.543 6.292 451 HB3 GLN 54 1HB GLN 54 -14.671 -14.581 5.838 452 HG2 GLN 54 2HG GLN 54 -13.707 -16.428 7.043 453 HG3 GLN 54 1HG GLN 54 -12.273 -15.470 7.418 454 HE21 GLN 54 1HE2 GLN 54 -12.457 -13.727 8.868 455 HE22 GLN 54 2HE2 GLN 54 -13.766 -13.652 10.014 456 H LYS 55 H LYS 55 -11.768 -12.704 4.754 457 HA LYS 55 HA LYS 55 -11.659 -10.914 3.353 458 HB2 LYS 55 2HB LYS 55 -12.048 -13.104 1.310 459 HB3 LYS 55 1HB LYS 55 -11.678 -11.439 0.886 460 HG2 LYS 55 2HG LYS 55 -9.514 -11.699 1.336 461 HG3 LYS 55 1HG LYS 55 -9.843 -12.520 2.863 462 HD2 LYS 55 2HD LYS 55 -8.617 -13.951 1.286 463 HD3 LYS 55 1HD LYS 55 -10.200 -14.614 1.689 464 HE2 LYS 55 2HE LYS 55 -9.704 -14.827 -0.698 465 HE3 LYS 55 1HE LYS 55 -11.102 -13.794 -0.412 466 HZ1 LYS 55 3HZ LYS 55 -8.376 -12.698 -0.812 467 HZ2 LYS 55 1HZ LYS 55 -9.858 -11.877 -0.902 468 HZ3 LYS 55 2HZ LYS 55 -9.432 -12.995 -2.107 469 H LYS 56 H LYS 56 -13.708 -10.298 4.416 470 HA LYS 56 HA LYS 56 -16.118 -10.635 2.825 471 HB2 LYS 56 2HB LYS 56 -15.615 -9.396 5.530 472 HB3 LYS 56 1HB LYS 56 -17.183 -9.366 4.738 473 HG2 LYS 56 2HG LYS 56 -17.203 -11.825 4.727 474 HG3 LYS 56 1HG LYS 56 -15.657 -11.822 5.581 475 HD2 LYS 56 2HD LYS 56 -16.645 -10.723 7.477 476 HD3 LYS 56 1HD LYS 56 -18.164 -10.495 6.610 477 HE2 LYS 56 2HE LYS 56 -18.438 -12.944 6.507 478 HE3 LYS 56 1HE LYS 56 -16.955 -13.129 7.446 479 HZ1 LYS 56 3HZ LYS 56 -19.344 -11.637 8.388 480 HZ2 LYS 56 1HZ LYS 56 -17.961 -12.028 9.292 481 HZ3 LYS 56 2HZ LYS 56 -19.022 -13.254 8.784 482 H1 GLY 2 1HT GLY 2 23.414 16.876 18.260 483 H2 GLY 2 2HT GLY 2 22.011 15.929 18.299 484 H3 GLY 2 3HT GLY 2 22.218 17.086 17.080 485 HA2 GLY 2 1HA GLY 2 24.162 15.830 16.264 486 HA3 GLY 2 2HA GLY 2 23.782 14.595 17.456 487 H ARG 3 H ARG 3 23.822 13.499 15.191 488 HA ARG 3 HA ARG 3 22.741 12.387 13.548 489 HB2 ARG 3 2HB ARG 3 20.234 13.127 15.068 490 HB3 ARG 3 1HB ARG 3 20.328 11.941 13.775 491 HG2 ARG 3 2HG ARG 3 21.994 10.701 15.211 492 HG3 ARG 3 1HG ARG 3 21.529 11.790 16.521 493 HD2 ARG 3 2HD ARG 3 19.701 9.959 14.978 494 HD3 ARG 3 1HD ARG 3 20.259 9.709 16.632 495 HE ARG 3 HE ARG 3 19.064 12.058 16.901 496 HH11 ARG 3 1HH1 ARG 3 17.951 9.210 15.152 497 HH12 ARG 3 2HH1 ARG 3 16.267 9.569 15.392 498 HH21 ARG 3 1HH2 ARG 3 16.852 12.506 17.236 499 HH22 ARG 3 2HH2 ARG 3 15.643 11.426 16.600 500 HA PRO 4 HA PRO 4 21.833 16.403 11.417 501 HB2 PRO 4 2HB PRO 4 23.856 15.483 9.524 502 HB3 PRO 4 1HB PRO 4 23.815 16.977 10.469 503 HG2 PRO 4 2HG PRO 4 25.591 14.994 10.958 504 HG3 PRO 4 1HG PRO 4 24.952 16.042 12.238 505 HD2 PRO 4 2HD PRO 4 24.159 13.252 11.499 506 HD3 PRO 4 1HD PRO 4 24.369 13.976 13.109 507 H TYR 5 H TYR 5 22.766 13.373 9.827 508 HA TYR 5 HA TYR 5 20.308 13.340 8.296 509 HB2 TYR 5 2HB TYR 5 21.606 13.029 6.145 510 HB3 TYR 5 1HB TYR 5 21.633 14.659 6.806 511 HD1 TYR 5 1HD TYR 5 23.642 11.603 6.273 512 HD2 TYR 5 2HD TYR 5 23.669 15.663 7.550 513 HE1 TYR 5 1HE TYR 5 26.102 11.605 6.211 514 HE2 TYR 5 2HE TYR 5 26.125 15.675 7.488 515 HH TYR 5 HH TYR 5 27.977 14.123 7.587 516 H LYS 6 H LYS 6 20.046 11.335 7.120 517 HA LYS 6 HA LYS 6 20.093 9.087 6.830 518 HB2 LYS 6 2HB LYS 6 22.498 9.392 6.327 519 HB3 LYS 6 1HB LYS 6 22.865 9.177 8.032 520 HG2 LYS 6 2HG LYS 6 23.307 7.098 7.047 521 HG3 LYS 6 1HG LYS 6 21.739 6.908 7.830 522 HD2 LYS 6 2HD LYS 6 20.642 7.330 5.656 523 HD3 LYS 6 1HD LYS 6 22.233 7.418 4.897 524 HE2 LYS 6 2HE LYS 6 22.651 5.094 5.775 525 HE3 LYS 6 1HE LYS 6 20.950 5.040 6.228 526 HZ1 LYS 6 3HZ LYS 6 20.975 4.049 4.150 527 HZ2 LYS 6 1HZ LYS 6 22.149 5.115 3.534 528 HZ3 LYS 6 2HZ LYS 6 20.564 5.650 3.771 529 H LEU 7 H LEU 7 21.527 9.976 9.973 530 HA LEU 7 HA LEU 7 20.537 7.534 11.170 531 HB2 LEU 7 2HB LEU 7 22.077 9.847 12.345 532 HB3 LEU 7 1HB LEU 7 21.670 8.377 13.211 533 HG LEU 7 HG LEU 7 23.424 8.524 10.757 534 HD11 LEU 7 1HD1 LEU 7 24.490 9.526 12.696 535 HD12 LEU 7 2HD1 LEU 7 25.243 7.982 12.300 536 HD13 LEU 7 3HD1 LEU 7 24.123 8.093 13.656 537 HD21 LEU 7 3HD2 LEU 7 22.718 6.219 12.572 538 HD22 LEU 7 1HD2 LEU 7 23.941 6.175 11.301 539 HD23 LEU 7 2HD2 LEU 7 22.245 6.410 10.883 540 H LEU 8 H LEU 8 18.944 10.165 10.375 541 HA LEU 8 HA LEU 8 17.367 10.422 12.797 542 HB2 LEU 8 2HB LEU 8 17.001 11.508 10.000 543 HB3 LEU 8 1HB LEU 8 15.857 11.787 11.300 544 HG LEU 8 HG LEU 8 18.747 12.670 11.321 545 HD11 LEU 8 1HD1 LEU 8 17.434 13.889 9.664 546 HD12 LEU 8 2HD1 LEU 8 17.857 14.920 11.030 547 HD13 LEU 8 3HD1 LEU 8 16.224 14.267 10.891 548 HD21 LEU 8 3HD2 LEU 8 16.467 13.223 13.224 549 HD22 LEU 8 1HD2 LEU 8 18.066 13.965 13.295 550 HD23 LEU 8 2HD2 LEU 8 17.887 12.230 13.553 551 H ASN 9 H ASN 9 17.447 8.703 9.817 552 HA ASN 9 HA ASN 9 16.308 6.924 9.000 553 HB2 ASN 9 2HB ASN 9 17.353 6.247 11.323 554 HB3 ASN 9 1HB ASN 9 15.664 6.095 11.798 555 HD21 ASN 9 1HD2 ASN 9 15.842 3.868 12.055 556 HD22 ASN 9 2HD2 ASN 9 15.980 2.785 10.707 557 H GLY 10 H GLY 10 14.667 8.848 8.590 558 HA2 GLY 10 2HA GLY 10 12.089 7.649 8.910 559 HA3 GLY 10 1HA GLY 10 12.264 9.121 9.856 560 H ILE 11 H ILE 11 11.546 7.814 6.844 561 HA ILE 11 HA ILE 11 11.856 10.419 5.495 562 HB ILE 11 HB ILE 11 11.548 7.713 4.180 563 HG12 ILE 11 2HG1 ILE 11 13.657 7.754 5.395 564 HG13 ILE 11 1HG1 ILE 11 13.958 7.859 3.664 565 HG21 ILE 11 1HG2 ILE 11 12.326 8.875 2.162 566 HG22 ILE 11 2HG2 ILE 11 12.350 10.393 3.059 567 HG23 ILE 11 3HG2 ILE 11 10.821 9.557 2.782 568 HD11 ILE 11 3HD1 ILE 11 14.047 10.127 5.639 569 HD12 ILE 11 1HD1 ILE 11 14.239 10.296 3.894 570 HD13 ILE 11 2HD1 ILE 11 15.417 9.371 4.825 571 H LYS 12 H LYS 12 10.103 11.116 4.132 572 HA LYS 12 HA LYS 12 7.534 10.287 5.264 573 HB2 LYS 12 2HB LYS 12 7.916 12.607 5.570 574 HB3 LYS 12 1HB LYS 12 8.476 12.811 3.920 575 HG2 LYS 12 2HG LYS 12 6.306 13.779 4.107 576 HG3 LYS 12 1HG LYS 12 6.179 12.317 3.130 577 HD2 LYS 12 2HD LYS 12 5.452 11.108 5.209 578 HD3 LYS 12 1HD LYS 12 5.381 12.677 6.015 579 HE2 LYS 12 2HE LYS 12 3.785 11.796 3.610 580 HE3 LYS 12 1HE LYS 12 3.175 12.071 5.241 581 HZ1 LYS 12 3HZ LYS 12 2.695 13.931 3.762 582 HZ2 LYS 12 1HZ LYS 12 4.349 14.154 3.473 583 HZ3 LYS 12 2HZ LYS 12 3.714 14.410 5.026 584 H LEU 13 H LEU 13 6.202 9.131 4.140 585 HA LEU 13 HA LEU 13 6.212 9.313 1.216 586 HB2 LEU 13 2HB LEU 13 5.747 6.865 1.149 587 HB3 LEU 13 1HB LEU 13 7.356 7.277 1.706 588 HG LEU 13 HG LEU 13 5.201 6.765 3.720 589 HD11 LEU 13 1HD1 LEU 13 6.824 4.639 2.327 590 HD12 LEU 13 2HD1 LEU 13 5.081 4.871 2.186 591 HD13 LEU 13 3HD1 LEU 13 5.787 4.395 3.730 592 HD21 LEU 13 3HD2 LEU 13 7.110 5.992 5.046 593 HD22 LEU 13 1HD2 LEU 13 7.352 7.647 4.477 594 HD23 LEU 13 2HD2 LEU 13 8.186 6.308 3.685 595 H GLY 14 H GLY 14 4.263 9.591 0.343 596 HA2 GLY 14 2HA GLY 14 1.945 9.339 2.128 597 HA3 GLY 14 1HA GLY 14 2.012 10.335 0.681 598 H VAL 15 H VAL 15 0.705 7.605 1.901 599 HA VAL 15 HA VAL 15 0.673 6.233 -0.702 600 HB VAL 15 HB VAL 15 -0.211 5.163 2.003 601 HG11 VAL 15 1HG1 VAL 15 -0.239 2.982 0.896 602 HG12 VAL 15 2HG1 VAL 15 0.133 3.763 -0.642 603 HG13 VAL 15 3HG1 VAL 15 -1.395 4.101 0.171 604 HG21 VAL 15 3HG2 VAL 15 2.300 4.593 0.440 605 HG22 VAL 15 1HG2 VAL 15 1.814 3.818 1.949 606 HG23 VAL 15 2HG2 VAL 15 2.196 5.539 1.926 607 H TYR 16 H TYR 16 -1.369 5.620 -1.607 608 HA TYR 16 HA TYR 16 -3.678 7.065 -0.485 609 HB2 TYR 16 2HB TYR 16 -2.571 7.146 -3.246 610 HB3 TYR 16 1HB TYR 16 -4.324 7.157 -3.060 611 HD1 TYR 16 1HD TYR 16 -5.272 8.873 -1.379 612 HD2 TYR 16 2HD TYR 16 -1.412 9.170 -3.131 613 HE1 TYR 16 1HE TYR 16 -5.251 11.267 -0.885 614 HE2 TYR 16 2HE TYR 16 -1.376 11.579 -2.648 615 HH TYR 16 HH TYR 16 -2.995 13.409 -2.257 616 H ILE 17 H ILE 17 -5.156 5.656 0.114 617 HA ILE 17 HA ILE 17 -5.659 3.363 -1.649 618 HB ILE 17 HB ILE 17 -5.889 1.828 0.199 619 HG12 ILE 17 2HG1 ILE 17 -4.978 4.108 1.971 620 HG13 ILE 17 1HG1 ILE 17 -6.590 3.394 1.954 621 HG21 ILE 17 1HG2 ILE 17 -3.256 3.290 0.250 622 HG22 ILE 17 2HG2 ILE 17 -3.720 1.996 -0.854 623 HG23 ILE 17 3HG2 ILE 17 -3.532 1.661 0.868 624 HD11 ILE 17 3HD1 ILE 17 -5.391 2.512 3.818 625 HD12 ILE 17 1HD1 ILE 17 -4.024 2.073 2.791 626 HD13 ILE 17 2HD1 ILE 17 -5.562 1.228 2.615 627 HA PRO 18 HA PRO 18 -9.902 4.251 -1.491 628 HB2 PRO 18 2HB PRO 18 -10.447 1.393 -0.896 629 HB3 PRO 18 1HB PRO 18 -10.982 2.383 -2.258 630 HG2 PRO 18 2HG PRO 18 -9.091 0.548 -2.585 631 HG3 PRO 18 1HG PRO 18 -8.985 2.119 -3.404 632 HD2 PRO 18 2HD PRO 18 -7.557 1.162 -0.949 633 HD3 PRO 18 1HD PRO 18 -6.931 2.106 -2.319 634 H GLN 19 H GLN 19 -11.788 4.387 -0.245 635 HA GLN 19 HA GLN 19 -11.330 4.624 2.554 636 HB2 GLN 19 2HB GLN 19 -13.571 5.461 2.689 637 HB3 GLN 19 1HB GLN 19 -12.861 6.094 1.212 638 HG2 GLN 19 2HG GLN 19 -14.666 5.369 0.154 639 HG3 GLN 19 1HG GLN 19 -14.051 3.731 0.413 640 HE21 GLN 19 1HE2 GLN 19 -14.450 3.726 3.271 641 HE22 GLN 19 2HE2 GLN 19 -16.154 3.627 3.535 642 H GLU 20 H GLU 20 -12.650 2.176 0.490 643 HA GLU 20 HA GLU 20 -14.006 0.501 2.178 644 HB2 GLU 20 2HB GLU 20 -11.856 -0.488 0.303 645 HB3 GLU 20 1HB GLU 20 -13.327 -1.322 0.784 646 HG2 GLU 20 2HG GLU 20 -13.187 1.160 -0.908 647 HG3 GLU 20 1HG GLU 20 -13.461 -0.479 -1.497 648 H TRP 21 H TRP 21 -10.500 0.819 1.836 649 HA TRP 21 HA TRP 21 -9.907 -1.052 3.910 650 HB2 TRP 21 2HB TRP 21 -8.254 0.954 2.387 651 HB3 TRP 21 1HB TRP 21 -7.581 -0.018 3.694 652 HD1 TRP 21 HD TRP 21 -9.935 -2.203 2.021 653 HE1 TRP 21 1HE TRP 21 -8.735 -3.746 0.324 654 HE3 TRP 21 3HE TRP 21 -5.506 0.267 1.736 655 HZ2 TRP 21 2HZ TRP 21 -6.204 -3.855 -0.963 656 HZ3 TRP 21 3HZ TRP 21 -3.748 -0.598 0.271 657 HH2 TRP 21 HH TRP 21 -4.082 -2.604 -1.046 658 H HIS 22 H HIS 22 -10.244 2.442 3.675 659 HA HIS 22 HA HIS 22 -9.210 3.066 6.213 660 HB2 HIS 22 2HB HIS 22 -11.161 4.436 4.400 661 HB3 HIS 22 1HB HIS 22 -10.895 5.051 6.031 662 HD1 HIS 22 1HD HIS 22 -8.982 6.595 6.322 663 HD2 HIS 22 2HD HIS 22 -8.658 4.343 2.836 664 HE1 HIS 22 1HE HIS 22 -6.949 7.473 5.130 665 HE2 HIS 22 2HE HIS 22 -6.861 6.197 2.957 666 H ASP 23 H ASP 23 -12.428 2.042 5.197 667 HA ASP 23 HA ASP 23 -13.740 2.290 7.657 668 HB2 ASP 23 2HB ASP 23 -14.916 1.832 5.550 669 HB3 ASP 23 1HB ASP 23 -14.176 0.237 5.471 670 H ARG 24 H ARG 24 -12.259 -0.632 6.227 671 HA ARG 24 HA ARG 24 -12.836 -2.191 8.553 672 HB2 ARG 24 2HB ARG 24 -10.798 -2.959 6.483 673 HB3 ARG 24 1HB ARG 24 -11.844 -4.003 7.427 674 HG2 ARG 24 2HG ARG 24 -12.694 -2.208 5.171 675 HG3 ARG 24 1HG ARG 24 -12.514 -3.959 5.106 676 HD2 ARG 24 2HD ARG 24 -14.253 -4.064 6.946 677 HD3 ARG 24 1HD ARG 24 -14.540 -2.353 6.627 678 HE ARG 24 HE ARG 24 -14.734 -4.340 4.468 679 HH11 ARG 24 1HH1 ARG 24 -16.313 -1.849 6.417 680 HH12 ARG 24 2HH1 ARG 24 -17.680 -1.745 5.352 681 HH21 ARG 24 1HH2 ARG 24 -16.510 -4.168 3.102 682 HH22 ARG 24 2HH2 ARG 24 -17.805 -3.077 3.493 683 H LEU 25 H LEU 25 -9.844 -0.912 7.143 684 HA LEU 25 HA LEU 25 -8.136 -2.134 9.022 685 HB2 LEU 25 2HB LEU 25 -7.769 0.059 7.014 686 HB3 LEU 25 1HB LEU 25 -6.493 -0.328 8.149 687 HG LEU 25 HG LEU 25 -6.149 -1.408 5.966 688 HD11 LEU 25 1HD1 LEU 25 -6.775 -3.380 8.158 689 HD12 LEU 25 2HD1 LEU 25 -5.284 -2.451 8.007 690 HD13 LEU 25 3HD1 LEU 25 -5.704 -3.648 6.782 691 HD21 LEU 25 3HD2 LEU 25 -8.478 -1.714 5.301 692 HD22 LEU 25 1HD2 LEU 25 -8.688 -2.918 6.573 693 HD23 LEU 25 2HD2 LEU 25 -7.585 -3.235 5.233 694 H MET 26 H MET 26 -9.466 1.180 8.829 695 HA MET 26 HA MET 26 -7.994 2.079 11.071 696 HB2 MET 26 2HB MET 26 -10.471 3.187 9.772 697 HB3 MET 26 1HB MET 26 -9.651 3.970 11.118 698 HG2 MET 26 2HG MET 26 -8.398 3.333 8.455 699 HG3 MET 26 1HG MET 26 -9.030 4.907 8.934 700 HE1 MET 26 3HE MET 26 -6.610 5.826 11.911 701 HE2 MET 26 1HE MET 26 -8.128 4.939 12.050 702 HE3 MET 26 2HE MET 26 -8.015 6.333 10.974 703 H GLU 27 H GLU 27 -11.119 0.460 10.800 704 HA GLU 27 HA GLU 27 -11.895 0.948 13.480 705 HB2 GLU 27 2HB GLU 27 -13.211 -0.112 11.455 706 HB3 GLU 27 1HB GLU 27 -12.607 -1.621 12.129 707 HG2 GLU 27 2HG GLU 27 -14.814 -1.165 12.979 708 HG3 GLU 27 1HG GLU 27 -13.634 -1.049 14.286 709 H ILE 28 H ILE 28 -9.976 -1.588 11.957 710 HA ILE 28 HA ILE 28 -9.409 -3.050 14.327 711 HB ILE 28 HB ILE 28 -7.728 -2.780 11.820 712 HG12 ILE 28 2HG1 ILE 28 -9.749 -4.902 12.579 713 HG13 ILE 28 1HG1 ILE 28 -10.030 -3.612 11.414 714 HG21 ILE 28 1HG2 ILE 28 -6.446 -3.635 13.710 715 HG22 ILE 28 2HG2 ILE 28 -6.715 -4.899 12.510 716 HG23 ILE 28 3HG2 ILE 28 -7.672 -4.874 13.992 717 HD11 ILE 28 3HD1 ILE 28 -8.236 -4.510 10.008 718 HD12 ILE 28 1HD1 ILE 28 -9.515 -5.690 10.290 719 HD13 ILE 28 2HD1 ILE 28 -7.992 -5.815 11.171 720 H ALA 29 H ALA 29 -8.029 -0.277 12.737 721 HA ALA 29 HA ALA 29 -5.705 0.037 14.295 722 HB1 ALA 29 1HB ALA 29 -7.301 2.133 12.831 723 HB2 ALA 29 2HB ALA 29 -6.032 1.127 12.133 724 HB3 ALA 29 3HB ALA 29 -5.637 2.295 13.394 725 H LYS 30 H LYS 30 -9.023 0.631 15.039 726 HA LYS 30 HA LYS 30 -8.500 2.456 17.210 727 HB2 LYS 30 2HB LYS 30 -10.889 0.635 17.102 728 HB3 LYS 30 1HB LYS 30 -10.773 2.246 17.789 729 HG2 LYS 30 2HG LYS 30 -10.641 1.679 14.845 730 HG3 LYS 30 1HG LYS 30 -12.130 2.044 15.710 731 HD2 LYS 30 2HD LYS 30 -11.132 4.200 16.419 732 HD3 LYS 30 1HD LYS 30 -9.723 3.832 15.417 733 HE2 LYS 30 2HE LYS 30 -11.328 5.294 14.262 734 HE3 LYS 30 1HE LYS 30 -11.119 3.750 13.435 735 HZ1 LYS 30 3HZ LYS 30 -13.442 4.333 13.536 736 HZ2 LYS 30 1HZ LYS 30 -13.370 4.497 15.223 737 HZ3 LYS 30 2HZ LYS 30 -13.166 2.970 14.509 738 H GLU 31 H GLU 31 -9.322 -0.944 16.866 739 HA GLU 31 HA GLU 31 -9.128 -1.690 19.556 740 HB2 GLU 31 2HB GLU 31 -10.151 -3.052 17.742 741 HB3 GLU 31 1HB GLU 31 -8.539 -3.392 17.129 742 HG2 GLU 31 2HG GLU 31 -7.988 -4.468 19.276 743 HG3 GLU 31 1HG GLU 31 -9.651 -4.200 19.804 744 H LYS 32 H LYS 32 -6.681 -1.468 17.031 745 HA LYS 32 HA LYS 32 -4.630 -2.575 18.780 746 HB2 LYS 32 2HB LYS 32 -4.907 -2.035 15.890 747 HB3 LYS 32 1HB LYS 32 -3.290 -1.828 16.543 748 HG2 LYS 32 2HG LYS 32 -3.701 -4.066 15.590 749 HG3 LYS 32 1HG LYS 32 -3.232 -4.104 17.286 750 HD2 LYS 32 2HD LYS 32 -5.480 -4.548 17.970 751 HD3 LYS 32 1HD LYS 32 -6.092 -4.252 16.342 752 HE2 LYS 32 2HE LYS 32 -5.132 -6.225 15.502 753 HE3 LYS 32 1HE LYS 32 -4.080 -6.409 16.903 754 HZ1 LYS 32 3HZ LYS 32 -5.867 -7.086 18.234 755 HZ2 LYS 32 1HZ LYS 32 -6.072 -7.932 16.780 756 HZ3 LYS 32 2HZ LYS 32 -7.037 -6.577 17.119 757 H ASN 33 H ASN 33 -5.900 0.439 17.998 758 HA ASN 33 HA ASN 33 -5.352 2.590 18.403 759 HB2 ASN 33 2HB ASN 33 -4.900 1.564 20.693 760 HB3 ASN 33 1HB ASN 33 -3.195 1.577 20.259 761 HD21 ASN 33 1HD2 ASN 33 -6.014 3.576 20.815 762 HD22 ASN 33 2HD2 ASN 33 -5.150 5.034 21.177 763 H LEU 34 H LEU 34 -4.493 1.929 16.115 764 HA LEU 34 HA LEU 34 -1.780 3.016 15.835 765 HB2 LEU 34 2HB LEU 34 -2.876 0.572 14.428 766 HB3 LEU 34 1HB LEU 34 -1.376 1.374 13.998 767 HG LEU 34 HG LEU 34 -1.924 0.043 16.652 768 HD11 LEU 34 1HD1 LEU 34 -1.786 -1.600 14.870 769 HD12 LEU 34 2HD1 LEU 34 -0.333 -1.659 15.869 770 HD13 LEU 34 3HD1 LEU 34 -0.286 -0.874 14.291 771 HD21 LEU 34 3HD2 LEU 34 0.467 0.352 17.034 772 HD22 LEU 34 1HD2 LEU 34 -0.349 1.900 16.813 773 HD23 LEU 34 2HD2 LEU 34 0.605 1.211 15.499 774 H THR 35 H THR 35 -1.397 3.733 13.509 775 HA THR 35 HA THR 35 -3.934 4.613 12.295 776 HB THR 35 HB THR 35 -2.633 6.218 10.995 777 HG1 THR 35 1HG THR 35 -0.378 5.063 12.330 778 HG21 THR 35 3HG2 THR 35 -3.381 6.941 13.198 779 HG22 THR 35 1HG2 THR 35 -1.827 7.672 12.801 780 HG23 THR 35 2HG2 THR 35 -1.901 6.312 13.922 781 H LEU 36 H LEU 36 -4.174 4.359 9.966 782 HA LEU 36 HA LEU 36 -3.490 1.795 9.060 783 HB2 LEU 36 2HB LEU 36 -4.488 2.358 7.001 784 HB3 LEU 36 1HB LEU 36 -5.398 3.194 8.244 785 HG LEU 36 HG LEU 36 -3.268 4.539 6.589 786 HD11 LEU 36 1HD1 LEU 36 -5.089 5.432 5.231 787 HD12 LEU 36 2HD1 LEU 36 -6.238 4.419 6.107 788 HD13 LEU 36 3HD1 LEU 36 -4.987 3.676 5.110 789 HD21 LEU 36 3HD2 LEU 36 -4.426 6.585 7.274 790 HD22 LEU 36 1HD2 LEU 36 -3.835 5.681 8.669 791 HD23 LEU 36 2HD2 LEU 36 -5.546 5.629 8.244 792 H SER 37 H SER 37 -1.883 4.858 8.734 793 HA SER 37 HA SER 37 0.037 4.261 6.815 794 HB2 SER 37 2HB SER 37 0.491 5.878 9.333 795 HB3 SER 37 1HB SER 37 1.301 6.066 7.776 796 HG SER 37 HG SER 37 -0.535 7.547 8.331 797 H ASP 38 H ASP 38 -0.014 3.598 10.298 798 HA ASP 38 HA ASP 38 2.525 2.356 10.467 799 HB2 ASP 38 2HB ASP 38 0.040 1.933 12.154 800 HB3 ASP 38 1HB ASP 38 1.623 1.273 12.537 801 H VAL 39 H VAL 39 -0.740 1.125 9.945 802 HA VAL 39 HA VAL 39 -0.100 -1.615 10.047 803 HB VAL 39 HB VAL 39 -2.403 -0.326 8.571 804 HG11 VAL 39 1HG1 VAL 39 -2.093 -3.114 9.687 805 HG12 VAL 39 2HG1 VAL 39 -2.047 -2.674 7.978 806 HG13 VAL 39 3HG1 VAL 39 -3.534 -2.464 8.903 807 HG21 VAL 39 3HG2 VAL 39 -2.255 -1.280 11.432 808 HG22 VAL 39 1HG2 VAL 39 -3.691 -0.656 10.621 809 HG23 VAL 39 2HG2 VAL 39 -2.310 0.403 10.911 810 H CYS 40 H CYS 40 -0.225 0.675 7.352 811 HA CYS 40 HA CYS 40 0.046 -1.212 5.272 812 HB2 CYS 40 2HB CYS 40 -0.486 1.414 5.310 813 HB3 CYS 40 1HB CYS 40 1.228 1.519 4.960 814 HG CYS 40 HG CYS 40 0.286 -0.635 2.864 815 H ARG 41 H ARG 41 2.485 0.894 6.763 816 HA ARG 41 HA ARG 41 4.824 -0.182 5.869 817 HB2 ARG 41 2HB ARG 41 4.692 1.836 7.184 818 HB3 ARG 41 1HB ARG 41 4.067 0.957 8.563 819 HG2 ARG 41 2HG ARG 41 6.778 0.293 7.527 820 HG3 ARG 41 1HG ARG 41 6.547 1.758 8.480 821 HD2 ARG 41 2HD ARG 41 5.352 0.205 10.155 822 HD3 ARG 41 1HD ARG 41 6.161 -1.103 9.290 823 HE ARG 41 HE ARG 41 7.663 1.150 10.468 824 HH11 ARG 41 1HH1 ARG 41 7.131 -2.282 10.054 825 HH12 ARG 41 2HH1 ARG 41 8.519 -2.753 10.989 826 HH21 ARG 41 1HH2 ARG 41 9.482 0.562 11.714 827 HH22 ARG 41 2HH2 ARG 41 9.857 -1.122 11.950 828 H LEU 42 H LEU 42 2.974 -1.268 8.732 829 HA LEU 42 HA LEU 42 4.824 -3.260 9.504 830 HB2 LEU 42 2HB LEU 42 1.856 -3.076 10.040 831 HB3 LEU 42 1HB LEU 42 2.945 -4.195 10.837 832 HG LEU 42 HG LEU 42 3.106 -1.185 11.017 833 HD11 LEU 42 1HD1 LEU 42 2.353 -1.519 13.334 834 HD12 LEU 42 2HD1 LEU 42 2.112 -3.234 12.994 835 HD13 LEU 42 3HD1 LEU 42 1.141 -2.023 12.156 836 HD21 LEU 42 3HD2 LEU 42 5.284 -2.269 11.241 837 HD22 LEU 42 1HD2 LEU 42 4.632 -3.339 12.483 838 HD23 LEU 42 2HD2 LEU 42 4.743 -1.604 12.783 839 H ALA 43 H ALA 43 2.157 -3.226 7.271 840 HA ALA 43 HA ALA 43 2.045 -6.044 6.908 841 HB1 ALA 43 1HB ALA 43 0.145 -4.584 6.432 842 HB2 ALA 43 2HB ALA 43 0.596 -5.562 5.036 843 HB3 ALA 43 3HB ALA 43 1.046 -3.857 5.102 844 H ILE 44 H ILE 44 4.033 -3.505 5.582 845 HA ILE 44 HA ILE 44 4.916 -4.950 3.292 846 HB ILE 44 HB ILE 44 6.353 -2.791 4.840 847 HG12 ILE 44 2HG1 ILE 44 4.713 -2.711 2.302 848 HG13 ILE 44 1HG1 ILE 44 4.316 -1.953 3.843 849 HG21 ILE 44 1HG2 ILE 44 6.995 -3.967 2.140 850 HG22 ILE 44 2HG2 ILE 44 7.940 -4.163 3.616 851 HG23 ILE 44 3HG2 ILE 44 7.794 -2.573 2.869 852 HD11 ILE 44 3HD1 ILE 44 6.222 -0.458 3.617 853 HD12 ILE 44 1HD1 ILE 44 5.139 -0.319 2.233 854 HD13 ILE 44 2HD1 ILE 44 6.651 -1.221 2.086 855 H LYS 45 H LYS 45 6.134 -4.593 6.601 856 HA LYS 45 HA LYS 45 8.349 -6.275 6.324 857 HB2 LYS 45 2HB LYS 45 7.811 -4.771 8.288 858 HB3 LYS 45 1HB LYS 45 6.695 -6.016 8.833 859 HG2 LYS 45 2HG LYS 45 8.843 -6.161 9.981 860 HG3 LYS 45 1HG LYS 45 8.522 -7.606 9.021 861 HD2 LYS 45 2HD LYS 45 9.984 -6.792 7.255 862 HD3 LYS 45 1HD LYS 45 10.267 -5.299 8.154 863 HE2 LYS 45 2HE LYS 45 11.352 -6.538 9.931 864 HE3 LYS 45 1HE LYS 45 10.986 -8.064 9.127 865 HZ1 LYS 45 3HZ LYS 45 13.293 -7.247 8.795 866 HZ2 LYS 45 1HZ LYS 45 12.672 -5.932 7.929 867 HZ3 LYS 45 2HZ LYS 45 12.450 -7.507 7.355 868 H GLU 46 H GLU 46 4.968 -6.964 6.870 869 HA GLU 46 HA GLU 46 5.231 -9.765 7.327 870 HB2 GLU 46 2HB GLU 46 3.228 -8.440 7.960 871 HB3 GLU 46 1HB GLU 46 2.885 -8.160 6.262 872 HG2 GLU 46 2HG GLU 46 1.428 -9.865 6.908 873 HG3 GLU 46 1HG GLU 46 2.723 -10.683 6.034 874 H TYR 47 H TYR 47 4.588 -7.722 4.535 875 HA TYR 47 HA TYR 47 4.101 -9.702 2.639 876 HB2 TYR 47 2HB TYR 47 3.615 -7.278 2.368 877 HB3 TYR 47 1HB TYR 47 5.339 -6.975 2.205 878 HD1 TYR 47 2HD TYR 47 2.387 -8.483 0.599 879 HD2 TYR 47 1HD TYR 47 6.478 -7.401 0.143 880 HE1 TYR 47 2HE TYR 47 2.202 -8.828 -1.825 881 HE2 TYR 47 1HE TYR 47 6.301 -7.736 -2.286 882 HH TYR 47 HH TYR 47 4.962 -8.889 -3.894 883 H LEU 48 H LEU 48 7.090 -8.151 3.678 884 HA LEU 48 HA LEU 48 8.786 -9.373 1.784 885 HB2 LEU 48 2HB LEU 48 9.442 -8.369 4.556 886 HB3 LEU 48 1HB LEU 48 10.616 -8.758 3.313 887 HG LEU 48 HG LEU 48 8.573 -6.539 3.178 888 HD11 LEU 48 1HD1 LEU 48 10.351 -6.068 4.757 889 HD12 LEU 48 2HD1 LEU 48 10.525 -5.068 3.315 890 HD13 LEU 48 3HD1 LEU 48 11.563 -6.476 3.543 891 HD21 LEU 48 3HD2 LEU 48 9.710 -5.868 1.133 892 HD22 LEU 48 1HD2 LEU 48 9.047 -7.495 0.974 893 HD23 LEU 48 2HD2 LEU 48 10.775 -7.270 1.249 894 H ASP 49 H ASP 49 7.969 -10.233 5.121 895 HA ASP 49 HA ASP 49 9.795 -12.350 5.343 896 HB2 ASP 49 2HB ASP 49 8.834 -11.255 7.285 897 HB3 ASP 49 1HB ASP 49 7.237 -11.872 6.870 898 H ASN 50 H ASN 50 6.455 -12.343 4.188 899 HA ASN 50 HA ASN 50 6.264 -15.206 4.223 900 HB2 ASN 50 2HB ASN 50 4.527 -13.059 3.018 901 HB3 ASN 50 1HB ASN 50 4.182 -14.775 2.816 902 HD21 ASN 50 1HD2 ASN 50 4.365 -12.139 5.070 903 HD22 ASN 50 2HD2 ASN 50 3.516 -12.918 6.359 904 H HIS 51 H HIS 51 7.437 -12.877 1.956 905 HA HIS 51 HA HIS 51 7.402 -14.858 -0.196 906 HB2 HIS 51 2HB HIS 51 8.086 -11.915 -0.175 907 HB3 HIS 51 1HB HIS 51 8.344 -12.945 -1.578 908 HD1 HIS 51 1HD HIS 51 6.352 -13.412 -3.061 909 HD2 HIS 51 2HD HIS 51 5.302 -11.568 0.516 910 HE1 HIS 51 1HE HIS 51 3.936 -12.769 -3.310 911 HE2 HIS 51 2HE HIS 51 3.265 -11.894 -1.041 912 H ASP 52 H ASP 52 9.705 -12.804 1.558 913 HA ASP 52 HA ASP 52 11.886 -14.555 0.631 914 HB2 ASP 52 2HB ASP 52 12.220 -12.273 -0.086 915 HB3 ASP 52 1HB ASP 52 11.922 -11.671 1.542 916 H LYS 53 H LYS 53 13.211 -15.546 2.122 917 HA LYS 53 HA LYS 53 12.353 -15.222 4.919 918 HB2 LYS 53 2HB LYS 53 13.522 -17.643 3.551 919 HB3 LYS 53 1HB LYS 53 13.179 -17.535 5.270 920 HG2 LYS 53 2HG LYS 53 11.205 -17.475 3.002 921 HG3 LYS 53 1HG LYS 53 11.405 -18.733 4.221 922 HD2 LYS 53 2HD LYS 53 10.403 -15.920 4.660 923 HD3 LYS 53 1HD LYS 53 9.462 -17.405 4.750 924 HE2 LYS 53 2HE LYS 53 10.783 -18.138 6.665 925 HE3 LYS 53 1HE LYS 53 11.752 -16.671 6.569 926 HZ1 LYS 53 3HZ LYS 53 9.769 -15.365 7.041 927 HZ2 LYS 53 1HZ LYS 53 10.044 -16.499 8.267 928 HZ3 LYS 53 2HZ LYS 53 8.833 -16.775 7.120 929 H GLN 54 H GLN 54 14.509 -13.782 3.358 930 HA GLN 54 HA GLN 54 16.862 -14.462 4.927 931 HB2 GLN 54 2HB GLN 54 16.320 -12.152 3.045 932 HB3 GLN 54 1HB GLN 54 17.851 -12.438 3.857 933 HG2 GLN 54 2HG GLN 54 18.166 -14.493 2.656 934 HG3 GLN 54 1HG GLN 54 16.561 -14.359 1.937 935 HE21 GLN 54 1HE2 GLN 54 16.194 -12.867 0.307 936 HE22 GLN 54 2HE2 GLN 54 17.496 -12.091 -0.541 937 H LYS 55 H LYS 55 14.126 -12.438 4.977 938 HA LYS 55 HA LYS 55 13.180 -11.099 6.523 939 HB2 LYS 55 2HB LYS 55 15.168 -12.349 8.425 940 HB3 LYS 55 1HB LYS 55 13.694 -11.501 8.870 941 HG2 LYS 55 2HG LYS 55 12.368 -13.233 7.747 942 HG3 LYS 55 1HG LYS 55 13.857 -14.089 7.337 943 HD2 LYS 55 2HD LYS 55 13.005 -15.143 9.274 944 HD3 LYS 55 1HD LYS 55 14.355 -14.144 9.815 945 HE2 LYS 55 2HE LYS 55 12.633 -13.788 11.384 946 HE3 LYS 55 1HE LYS 55 12.626 -12.361 10.348 947 HZ1 LYS 55 3HZ LYS 55 10.749 -14.660 10.249 948 HZ2 LYS 55 1HZ LYS 55 10.803 -13.446 9.065 949 HZ3 LYS 55 2HZ LYS 55 10.387 -13.058 10.661 950 H LYS 56 H LYS 56 15.236 -9.995 4.955 951 HA LYS 56 HA LYS 56 16.789 -8.285 6.723 952 HB2 LYS 56 2HB LYS 56 16.720 -8.492 3.705 953 HB3 LYS 56 1HB LYS 56 17.805 -7.452 4.616 954 HG2 LYS 56 2HG LYS 56 18.941 -9.332 5.550 955 HG3 LYS 56 1HG LYS 56 17.747 -10.450 4.886 956 HD2 LYS 56 2HD LYS 56 18.431 -9.910 2.631 957 HD3 LYS 56 1HD LYS 56 19.531 -8.667 3.229 958 HE2 LYS 56 2HE LYS 56 20.906 -10.328 4.297 959 HE3 LYS 56 1HE LYS 56 19.757 -11.601 3.893 960 HZ1 LYS 56 3HZ LYS 56 21.752 -11.464 2.422 961 HZ2 LYS 56 1HZ LYS 56 21.169 -9.977 1.848 962 HZ3 LYS 56 2HZ LYS 56 20.267 -11.395 1.608 Start of MODEL 2 1 H1 GLY 2 1HT GLY 2 -18.738 5.986 -16.977 2 H2 GLY 2 2HT GLY 2 -20.423 5.810 -17.079 3 H3 GLY 2 3HT GLY 2 -19.536 4.866 -15.984 4 HA2 GLY 2 1HA GLY 2 -19.813 7.818 -15.860 5 HA3 GLY 2 2HA GLY 2 -20.704 6.676 -14.861 6 H ARG 3 H ARG 3 -19.402 8.390 -13.403 7 HA ARG 3 HA ARG 3 -16.815 7.156 -12.721 8 HB2 ARG 3 2HB ARG 3 -17.903 9.893 -12.037 9 HB3 ARG 3 1HB ARG 3 -16.349 9.267 -11.505 10 HG2 ARG 3 2HG ARG 3 -15.548 9.180 -13.775 11 HG3 ARG 3 1HG ARG 3 -17.135 9.652 -14.388 12 HD2 ARG 3 2HD ARG 3 -15.656 11.567 -14.382 13 HD3 ARG 3 1HD ARG 3 -16.935 11.787 -13.191 14 HE ARG 3 HE ARG 3 -14.312 10.775 -12.339 15 HH11 ARG 3 1HH1 ARG 3 -16.729 13.341 -12.249 16 HH12 ARG 3 2HH1 ARG 3 -15.971 14.152 -10.911 17 HH21 ARG 3 1HH2 ARG 3 -13.337 11.848 -10.596 18 HH22 ARG 3 2HH2 ARG 3 -14.072 13.286 -9.952 19 HA PRO 4 HA PRO 4 -19.268 5.836 -9.148 20 HB2 PRO 4 2HB PRO 4 -17.940 3.546 -8.692 21 HB3 PRO 4 1HB PRO 4 -19.136 3.689 -9.983 22 HG2 PRO 4 2HG PRO 4 -16.163 3.695 -10.143 23 HG3 PRO 4 1HG PRO 4 -17.350 3.018 -11.271 24 HD2 PRO 4 2HD PRO 4 -16.030 5.457 -11.565 25 HD3 PRO 4 1HD PRO 4 -17.500 4.967 -12.426 26 H TYR 5 H TYR 5 -18.896 6.547 -7.154 27 HA TYR 5 HA TYR 5 -16.283 7.508 -6.422 28 HB2 TYR 5 2HB TYR 5 -17.350 8.504 -4.545 29 HB3 TYR 5 1HB TYR 5 -18.491 8.634 -5.878 30 HD1 TYR 5 2HD TYR 5 -20.337 6.806 -6.013 31 HD2 TYR 5 1HD TYR 5 -18.026 7.569 -2.518 32 HE1 TYR 5 2HE TYR 5 -22.043 5.687 -4.648 33 HE2 TYR 5 1HE TYR 5 -19.732 6.451 -1.145 34 HH TYR 5 HH TYR 5 -22.137 4.501 -2.436 35 H LYS 6 H LYS 6 -17.702 4.540 -6.246 36 HA LYS 6 HA LYS 6 -16.480 3.744 -3.728 37 HB2 LYS 6 2HB LYS 6 -18.708 2.872 -4.328 38 HB3 LYS 6 1HB LYS 6 -18.026 2.119 -5.761 39 HG2 LYS 6 2HG LYS 6 -18.369 0.492 -3.993 40 HG3 LYS 6 1HG LYS 6 -16.653 0.678 -4.362 41 HD2 LYS 6 2HD LYS 6 -16.334 2.060 -2.415 42 HD3 LYS 6 1HD LYS 6 -18.065 2.064 -2.085 43 HE2 LYS 6 2HE LYS 6 -16.824 0.508 -0.632 44 HE3 LYS 6 1HE LYS 6 -18.028 -0.305 -1.628 45 HZ1 LYS 6 3HZ LYS 6 -15.900 -1.493 -1.534 46 HZ2 LYS 6 1HZ LYS 6 -15.122 -0.167 -2.260 47 HZ3 LYS 6 2HZ LYS 6 -16.304 -1.036 -3.115 48 H LEU 7 H LEU 7 -15.980 3.434 -7.172 49 HA LEU 7 HA LEU 7 -13.706 1.659 -6.754 50 HB2 LEU 7 2HB LEU 7 -14.890 2.722 -9.318 51 HB3 LEU 7 1HB LEU 7 -13.605 1.535 -9.200 52 HG LEU 7 HG LEU 7 -16.438 1.144 -8.224 53 HD11 LEU 7 1HD1 LEU 7 -15.010 -0.047 -10.596 54 HD12 LEU 7 2HD1 LEU 7 -16.259 1.196 -10.667 55 HD13 LEU 7 3HD1 LEU 7 -16.653 -0.416 -10.072 56 HD21 LEU 7 3HD2 LEU 7 -14.099 -0.758 -8.330 57 HD22 LEU 7 1HD2 LEU 7 -15.758 -1.193 -7.914 58 HD23 LEU 7 2HD2 LEU 7 -14.846 -0.098 -6.875 59 H LEU 8 H LEU 8 -14.429 4.880 -8.054 60 HA LEU 8 HA LEU 8 -11.569 5.487 -8.105 61 HB2 LEU 8 2HB LEU 8 -13.991 6.879 -9.223 62 HB3 LEU 8 1HB LEU 8 -12.456 7.711 -9.077 63 HG LEU 8 HG LEU 8 -12.643 6.947 -11.319 64 HD11 LEU 8 1HD1 LEU 8 -10.814 5.085 -9.819 65 HD12 LEU 8 2HD1 LEU 8 -10.437 6.734 -10.321 66 HD13 LEU 8 3HD1 LEU 8 -10.714 5.484 -11.534 67 HD21 LEU 8 3HD2 LEU 8 -14.359 5.252 -11.027 68 HD22 LEU 8 1HD2 LEU 8 -13.203 4.197 -10.216 69 HD23 LEU 8 2HD2 LEU 8 -12.985 4.600 -11.919 70 H ASN 9 H ASN 9 -11.293 5.499 -5.845 71 HA ASN 9 HA ASN 9 -11.937 8.042 -4.621 72 HB2 ASN 9 2HB ASN 9 -13.826 6.345 -4.127 73 HB3 ASN 9 1HB ASN 9 -12.642 5.517 -3.128 74 HD21 ASN 9 1HD2 ASN 9 -15.164 6.838 -2.460 75 HD22 ASN 9 2HD2 ASN 9 -14.773 8.008 -1.245 76 H GLY 10 H GLY 10 -10.409 8.620 -3.112 77 HA2 GLY 10 2HA GLY 10 -8.586 6.720 -1.975 78 HA3 GLY 10 1HA GLY 10 -7.858 7.672 -3.263 79 H ILE 11 H ILE 11 -7.655 7.513 -0.188 80 HA ILE 11 HA ILE 11 -7.813 10.432 0.267 81 HB ILE 11 HB ILE 11 -7.862 8.381 2.475 82 HG12 ILE 11 2HG1 ILE 11 -9.800 7.913 1.041 83 HG13 ILE 11 1HG1 ILE 11 -10.297 8.585 2.590 84 HG21 ILE 11 1HG2 ILE 11 -7.279 10.646 3.121 85 HG22 ILE 11 2HG2 ILE 11 -8.860 10.210 3.770 86 HG23 ILE 11 3HG2 ILE 11 -8.746 11.261 2.357 87 HD11 ILE 11 3HD1 ILE 11 -10.113 10.083 -0.014 88 HD12 ILE 11 1HD1 ILE 11 -10.617 10.762 1.532 89 HD13 ILE 11 2HD1 ILE 11 -11.591 9.511 0.759 90 H LYS 12 H LYS 12 -6.067 11.329 1.569 91 HA LYS 12 HA LYS 12 -3.569 9.880 1.041 92 HB2 LYS 12 2HB LYS 12 -4.370 12.719 1.104 93 HB3 LYS 12 1HB LYS 12 -2.779 12.375 1.767 94 HG2 LYS 12 2HG LYS 12 -3.688 11.509 -0.966 95 HG3 LYS 12 1HG LYS 12 -2.787 12.991 -0.638 96 HD2 LYS 12 2HD LYS 12 -0.934 11.707 0.250 97 HD3 LYS 12 1HD LYS 12 -1.838 10.206 0.047 98 HE2 LYS 12 2HE LYS 12 -0.177 10.570 -1.738 99 HE3 LYS 12 1HE LYS 12 -1.827 10.484 -2.355 100 HZ1 LYS 12 3HZ LYS 12 -0.371 13.021 -1.820 101 HZ2 LYS 12 1HZ LYS 12 -1.885 12.852 -2.567 102 HZ3 LYS 12 2HZ LYS 12 -0.491 12.286 -3.346 103 H LEU 13 H LEU 13 -2.289 9.180 2.579 104 HA LEU 13 HA LEU 13 -2.681 10.139 5.328 105 HB2 LEU 13 2HB LEU 13 -2.120 7.731 6.010 106 HB3 LEU 13 1HB LEU 13 -3.741 8.067 5.436 107 HG LEU 13 HG LEU 13 -1.699 7.055 3.490 108 HD11 LEU 13 1HD1 LEU 13 -1.489 5.555 5.399 109 HD12 LEU 13 2HD1 LEU 13 -2.309 4.750 4.061 110 HD13 LEU 13 3HD1 LEU 13 -3.240 5.340 5.439 111 HD21 LEU 13 3HD2 LEU 13 -4.683 6.679 3.793 112 HD22 LEU 13 1HD2 LEU 13 -3.693 6.020 2.491 113 HD23 LEU 13 2HD2 LEU 13 -3.882 7.767 2.657 114 H GLY 14 H GLY 14 -0.856 10.304 6.583 115 HA2 GLY 14 2HA GLY 14 1.654 10.184 5.057 116 HA3 GLY 14 1HA GLY 14 1.351 11.201 6.458 117 H VAL 15 H VAL 15 3.084 8.695 5.474 118 HA VAL 15 HA VAL 15 2.927 7.229 8.030 119 HB VAL 15 HB VAL 15 4.173 6.191 5.481 120 HG11 VAL 15 1HG1 VAL 15 3.126 4.793 7.935 121 HG12 VAL 15 2HG1 VAL 15 4.822 5.031 7.511 122 HG13 VAL 15 3HG1 VAL 15 3.797 4.000 6.510 123 HG21 VAL 15 3HG2 VAL 15 2.101 4.969 5.040 124 HG22 VAL 15 1HG2 VAL 15 1.844 6.713 4.988 125 HG23 VAL 15 2HG2 VAL 15 1.329 5.788 6.397 126 H TYR 16 H TYR 16 5.032 6.394 8.833 127 HA TYR 16 HA TYR 16 7.394 7.833 7.845 128 HB2 TYR 16 2HB TYR 16 6.348 7.780 10.637 129 HB3 TYR 16 1HB TYR 16 8.090 7.753 10.389 130 HD1 TYR 16 1HD TYR 16 9.134 9.592 9.027 131 HD2 TYR 16 2HD TYR 16 5.158 9.819 10.510 132 HE1 TYR 16 1HE TYR 16 9.183 12.020 8.746 133 HE2 TYR 16 2HE TYR 16 5.195 12.262 10.241 134 HH TYR 16 HH TYR 16 7.778 13.910 8.584 135 H ILE 17 H ILE 17 9.017 6.529 7.448 136 HA ILE 17 HA ILE 17 9.586 4.291 9.188 137 HB ILE 17 HB ILE 17 10.029 2.803 7.133 138 HG12 ILE 17 2HG1 ILE 17 7.936 4.648 5.969 139 HG13 ILE 17 1HG1 ILE 17 9.595 4.475 5.404 140 HG21 ILE 17 1HG2 ILE 17 7.785 1.843 7.247 141 HG22 ILE 17 2HG2 ILE 17 7.210 3.296 8.064 142 HG23 ILE 17 3HG2 ILE 17 8.409 2.263 8.842 143 HD11 ILE 17 3HD1 ILE 17 8.022 3.269 3.986 144 HD12 ILE 17 1HD1 ILE 17 7.502 2.311 5.375 145 HD13 ILE 17 2HD1 ILE 17 9.153 2.168 4.774 146 HA PRO 18 HA PRO 18 13.740 5.496 8.683 147 HB2 PRO 18 2HB PRO 18 14.455 2.642 8.255 148 HB3 PRO 18 1HB PRO 18 15.036 3.778 9.478 149 HG2 PRO 18 2HG PRO 18 13.318 1.856 10.124 150 HG3 PRO 18 1HG PRO 18 13.166 3.479 10.826 151 HD2 PRO 18 2HD PRO 18 11.596 2.211 8.616 152 HD3 PRO 18 1HD PRO 18 11.038 3.253 9.943 153 H GLN 19 H GLN 19 15.579 5.559 7.309 154 HA GLN 19 HA GLN 19 14.892 5.811 4.588 155 HB2 GLN 19 2HB GLN 19 17.220 6.443 4.236 156 HB3 GLN 19 1HB GLN 19 16.564 7.234 5.660 157 HG2 GLN 19 2HG GLN 19 17.675 5.520 7.061 158 HG3 GLN 19 1HG GLN 19 18.417 4.865 5.601 159 HE21 GLN 19 1HE2 GLN 19 20.000 6.067 4.532 160 HE22 GLN 19 2HE2 GLN 19 20.827 7.383 5.307 161 H GLU 20 H GLU 20 16.634 3.278 6.360 162 HA GLU 20 HA GLU 20 17.485 1.812 4.114 163 HB2 GLU 20 2HB GLU 20 17.327 -0.195 5.736 164 HB3 GLU 20 1HB GLU 20 18.489 1.083 6.060 165 HG2 GLU 20 2HG GLU 20 15.813 1.345 7.257 166 HG3 GLU 20 1HG GLU 20 16.879 0.101 7.912 167 H TRP 21 H TRP 21 14.365 2.263 5.423 168 HA TRP 21 HA TRP 21 13.196 -0.076 4.209 169 HB2 TRP 21 2HB TRP 21 12.141 2.365 5.594 170 HB3 TRP 21 1HB TRP 21 11.049 1.380 4.629 171 HD1 TRP 21 HD TRP 21 13.726 0.411 7.299 172 HE1 TRP 21 1HE TRP 21 12.572 -1.165 8.982 173 HE3 TRP 21 3HE TRP 21 9.039 0.365 5.271 174 HZ2 TRP 21 2HZ TRP 21 9.991 -2.277 9.384 175 HZ3 TRP 21 3HZ TRP 21 7.288 -0.971 6.353 176 HH2 TRP 21 HH TRP 21 7.754 -2.257 8.362 177 H HIS 22 H HIS 22 13.252 3.410 3.570 178 HA HIS 22 HA HIS 22 11.853 3.322 1.119 179 HB2 HIS 22 2HB HIS 22 13.921 5.284 2.144 180 HB3 HIS 22 1HB HIS 22 13.009 5.519 0.656 181 HD1 HIS 22 1HD HIS 22 11.256 7.224 1.074 182 HD2 HIS 22 2HD HIS 22 11.755 4.679 4.330 183 HE1 HIS 22 1HE HIS 22 9.517 7.919 2.753 184 HE2 HIS 22 2HE HIS 22 9.975 6.501 4.784 185 H ASP 23 H ASP 23 15.197 2.860 1.981 186 HA ASP 23 HA ASP 23 16.437 2.826 -0.500 187 HB2 ASP 23 2HB ASP 23 17.613 2.751 1.649 188 HB3 ASP 23 1HB ASP 23 17.002 1.128 1.938 189 H ARG 24 H ARG 24 15.077 0.047 1.284 190 HA ARG 24 HA ARG 24 15.502 -1.756 -0.905 191 HB2 ARG 24 2HB ARG 24 14.142 -1.917 1.751 192 HB3 ARG 24 1HB ARG 24 13.763 -3.135 0.546 193 HG2 ARG 24 2HG ARG 24 15.494 -3.887 2.086 194 HG3 ARG 24 1HG ARG 24 16.092 -3.788 0.432 195 HD2 ARG 24 2HD ARG 24 17.377 -1.898 0.885 196 HD3 ARG 24 1HD ARG 24 16.470 -1.518 2.350 197 HE ARG 24 HE ARG 24 17.582 -3.938 2.896 198 HH11 ARG 24 1HH1 ARG 24 18.952 -0.921 1.731 199 HH12 ARG 24 2HH1 ARG 24 20.442 -1.126 2.609 200 HH21 ARG 24 1HH2 ARG 24 19.525 -4.179 4.065 201 HH22 ARG 24 2HH2 ARG 24 20.762 -2.960 3.951 202 H LEU 25 H LEU 25 12.841 0.252 0.161 203 HA LEU 25 HA LEU 25 10.826 -0.920 -1.422 204 HB2 LEU 25 2HB LEU 25 11.163 1.897 -0.401 205 HB3 LEU 25 1HB LEU 25 9.742 1.361 -1.279 206 HG LEU 25 HG LEU 25 10.689 0.268 1.373 207 HD11 LEU 25 1HD1 LEU 25 9.777 2.503 1.576 208 HD12 LEU 25 2HD1 LEU 25 8.650 1.322 2.243 209 HD13 LEU 25 3HD1 LEU 25 8.350 2.028 0.655 210 HD21 LEU 25 3HD2 LEU 25 8.565 -0.959 1.374 211 HD22 LEU 25 1HD2 LEU 25 9.605 -1.454 0.039 212 HD23 LEU 25 2HD2 LEU 25 8.237 -0.382 -0.261 213 H MET 26 H MET 26 12.982 1.842 -2.058 214 HA MET 26 HA MET 26 11.965 2.390 -4.626 215 HB2 MET 26 2HB MET 26 14.642 3.031 -3.394 216 HB3 MET 26 1HB MET 26 14.118 3.632 -4.961 217 HG2 MET 26 2HG MET 26 12.226 4.749 -3.909 218 HG3 MET 26 1HG MET 26 12.747 4.148 -2.334 219 HE1 MET 26 3HE MET 26 12.648 6.637 -1.418 220 HE2 MET 26 1HE MET 26 12.186 7.252 -3.002 221 HE3 MET 26 2HE MET 26 13.532 7.987 -2.131 222 H GLU 27 H GLU 27 14.481 0.178 -3.555 223 HA GLU 27 HA GLU 27 15.578 -0.409 -6.078 224 HB2 GLU 27 2HB GLU 27 16.589 -1.095 -3.927 225 HB3 GLU 27 1HB GLU 27 15.268 -2.225 -3.677 226 HG2 GLU 27 2HG GLU 27 17.064 -3.516 -4.439 227 HG3 GLU 27 1HG GLU 27 15.989 -3.342 -5.826 228 H ILE 28 H ILE 28 13.125 -2.182 -4.209 229 HA ILE 28 HA ILE 28 12.448 -4.000 -6.259 230 HB ILE 28 HB ILE 28 10.763 -3.058 -3.929 231 HG12 ILE 28 2HG1 ILE 28 12.544 -5.487 -4.219 232 HG13 ILE 28 1HG1 ILE 28 12.941 -4.045 -3.290 233 HG21 ILE 28 1HG2 ILE 28 9.529 -5.157 -4.221 234 HG22 ILE 28 2HG2 ILE 28 10.480 -5.508 -5.664 235 HG23 ILE 28 3HG2 ILE 28 9.393 -4.119 -5.641 236 HD11 ILE 28 3HD1 ILE 28 10.661 -5.931 -2.737 237 HD12 ILE 28 1HD1 ILE 28 11.053 -4.487 -1.804 238 HD13 ILE 28 2HD1 ILE 28 12.181 -5.842 -1.850 239 H ALA 29 H ALA 29 11.097 -0.885 -5.310 240 HA ALA 29 HA ALA 29 8.835 -0.916 -6.995 241 HB1 ALA 29 1HB ALA 29 8.677 1.455 -6.536 242 HB2 ALA 29 2HB ALA 29 10.335 1.475 -5.937 243 HB3 ALA 29 3HB ALA 29 9.093 0.582 -5.060 244 H LYS 30 H LYS 30 12.158 -0.342 -7.624 245 HA LYS 30 HA LYS 30 11.777 1.225 -9.993 246 HB2 LYS 30 2HB LYS 30 13.804 1.524 -8.769 247 HB3 LYS 30 1HB LYS 30 14.144 -0.199 -8.803 248 HG2 LYS 30 2HG LYS 30 14.451 -0.041 -11.255 249 HG3 LYS 30 1HG LYS 30 14.229 1.705 -11.132 250 HD2 LYS 30 2HD LYS 30 16.607 1.093 -11.178 251 HD3 LYS 30 1HD LYS 30 16.158 1.868 -9.656 252 HE2 LYS 30 2HE LYS 30 15.943 -0.387 -8.635 253 HE3 LYS 30 1HE LYS 30 16.519 -1.088 -10.143 254 HZ1 LYS 30 3HZ LYS 30 18.226 -0.805 -8.382 255 HZ2 LYS 30 1HZ LYS 30 18.073 0.876 -8.555 256 HZ3 LYS 30 2HZ LYS 30 18.617 -0.063 -9.861 257 H GLU 31 H GLU 31 12.804 -2.103 -9.327 258 HA GLU 31 HA GLU 31 12.930 -2.891 -12.030 259 HB2 GLU 31 2HB GLU 31 14.022 -4.161 -10.237 260 HB3 GLU 31 1HB GLU 31 12.445 -4.619 -9.599 261 HG2 GLU 31 2HG GLU 31 11.948 -5.801 -11.675 262 HG3 GLU 31 1HG GLU 31 13.525 -5.343 -12.314 263 H LYS 32 H LYS 32 10.269 -2.885 -9.714 264 HA LYS 32 HA LYS 32 8.645 -4.493 -11.523 265 HB2 LYS 32 2HB LYS 32 8.287 -3.617 -8.674 266 HB3 LYS 32 1HB LYS 32 6.960 -4.309 -9.588 267 HG2 LYS 32 2HG LYS 32 7.897 -6.058 -8.316 268 HG3 LYS 32 1HG LYS 32 8.407 -6.322 -9.983 269 HD2 LYS 32 2HD LYS 32 10.595 -5.438 -9.502 270 HD3 LYS 32 1HD LYS 32 10.096 -4.983 -7.871 271 HE2 LYS 32 2HE LYS 32 11.390 -7.019 -7.783 272 HE3 LYS 32 1HE LYS 32 9.717 -7.368 -7.357 273 HZ1 LYS 32 3HZ LYS 32 11.052 -7.916 -9.952 274 HZ2 LYS 32 1HZ LYS 32 9.388 -8.126 -9.679 275 HZ3 LYS 32 2HZ LYS 32 10.516 -9.057 -8.822 276 H ASN 33 H ASN 33 9.232 -1.273 -11.171 277 HA ASN 33 HA ASN 33 8.212 0.638 -11.837 278 HB2 ASN 33 2HB ASN 33 7.779 -0.700 -13.907 279 HB3 ASN 33 1HB ASN 33 6.222 -1.168 -13.236 280 HD21 ASN 33 1HD2 ASN 33 8.098 1.414 -14.622 281 HD22 ASN 33 2HD2 ASN 33 6.777 2.515 -14.866 282 H LEU 34 H LEU 34 7.767 0.414 -9.420 283 HA LEU 34 HA LEU 34 4.906 0.849 -8.947 284 HB2 LEU 34 2HB LEU 34 6.767 -0.823 -7.252 285 HB3 LEU 34 1HB LEU 34 5.170 -0.304 -6.743 286 HG LEU 34 HG LEU 34 5.726 -2.092 -9.111 287 HD11 LEU 34 1HD1 LEU 34 6.292 -3.178 -6.996 288 HD12 LEU 34 2HD1 LEU 34 4.847 -3.889 -7.715 289 HD13 LEU 34 3HD1 LEU 34 4.698 -2.773 -6.359 290 HD21 LEU 34 3HD2 LEU 34 3.672 -0.774 -9.325 291 HD22 LEU 34 1HD2 LEU 34 3.140 -1.347 -7.746 292 HD23 LEU 34 2HD2 LEU 34 3.317 -2.484 -9.084 293 H THR 35 H THR 35 4.550 2.030 -6.880 294 HA THR 35 HA THR 35 6.850 3.737 -6.195 295 HB THR 35 HB THR 35 4.039 4.386 -5.371 296 HG1 THR 35 1HG THR 35 3.665 4.174 -7.509 297 HG21 THR 35 3HG2 THR 35 6.388 6.098 -6.199 298 HG22 THR 35 1HG2 THR 35 5.921 5.736 -4.538 299 HG23 THR 35 2HG2 THR 35 4.847 6.681 -5.570 300 H LEU 36 H LEU 36 7.104 4.227 -3.844 301 HA LEU 36 HA LEU 36 6.947 1.932 -2.241 302 HB2 LEU 36 2HB LEU 36 7.668 3.267 -0.404 303 HB3 LEU 36 1HB LEU 36 8.499 3.826 -1.837 304 HG LEU 36 HG LEU 36 6.080 5.234 -0.717 305 HD11 LEU 36 1HD1 LEU 36 7.845 5.154 0.981 306 HD12 LEU 36 2HD1 LEU 36 7.626 6.785 0.348 307 HD13 LEU 36 3HD1 LEU 36 8.994 5.807 -0.187 308 HD21 LEU 36 3HD2 LEU 36 8.269 6.074 -2.616 309 HD22 LEU 36 1HD2 LEU 36 7.019 7.141 -1.977 310 HD23 LEU 36 2HD2 LEU 36 6.575 5.789 -3.017 311 H SER 37 H SER 37 4.779 4.666 -2.571 312 HA SER 37 HA SER 37 2.915 4.038 -0.595 313 HB2 SER 37 2HB SER 37 1.299 5.201 -2.254 314 HB3 SER 37 1HB SER 37 2.671 6.137 -1.653 315 HG SER 37 HG SER 37 2.054 5.583 -4.172 316 H ASP 38 H ASP 38 3.217 2.900 -3.933 317 HA ASP 38 HA ASP 38 0.847 1.376 -3.988 318 HB2 ASP 38 2HB ASP 38 3.368 1.292 -5.633 319 HB3 ASP 38 1HB ASP 38 2.069 0.132 -5.886 320 H VAL 39 H VAL 39 4.205 0.485 -3.246 321 HA VAL 39 HA VAL 39 3.703 -2.276 -2.853 322 HB VAL 39 HB VAL 39 5.858 -0.586 -1.558 323 HG11 VAL 39 1HG1 VAL 39 5.582 -2.776 -0.500 324 HG12 VAL 39 2HG1 VAL 39 7.102 -2.681 -1.387 325 HG13 VAL 39 3HG1 VAL 39 5.736 -3.560 -2.074 326 HG21 VAL 39 3HG2 VAL 39 5.917 -0.342 -3.971 327 HG22 VAL 39 1HG2 VAL 39 5.879 -2.096 -4.169 328 HG23 VAL 39 2HG2 VAL 39 7.277 -1.321 -3.423 329 H CYS 40 H CYS 40 3.358 0.512 -0.759 330 HA CYS 40 HA CYS 40 3.115 -0.944 1.669 331 HB2 CYS 40 2HB CYS 40 3.559 1.616 1.204 332 HB3 CYS 40 1HB CYS 40 1.802 1.743 1.243 333 HG CYS 40 HG CYS 40 2.876 0.061 3.858 334 H ARG 41 H ARG 41 0.544 0.710 -0.227 335 HA ARG 41 HA ARG 41 -1.585 -0.600 0.924 336 HB2 ARG 41 2HB ARG 41 -2.867 -0.033 -1.117 337 HB3 ARG 41 1HB ARG 41 -1.971 1.318 -0.449 338 HG2 ARG 41 2HG ARG 41 -1.496 1.637 -2.623 339 HG3 ARG 41 1HG ARG 41 -0.188 0.517 -2.245 340 HD2 ARG 41 2HD ARG 41 -1.353 -1.312 -3.207 341 HD3 ARG 41 1HD ARG 41 -2.856 -0.388 -3.302 342 HE ARG 41 HE ARG 41 -0.659 0.728 -4.803 343 HH11 ARG 41 1HH1 ARG 41 -3.360 -1.521 -4.935 344 HH12 ARG 41 2HH1 ARG 41 -3.603 -1.309 -6.645 345 HH21 ARG 41 1HH2 ARG 41 -0.940 0.971 -7.032 346 HH22 ARG 41 2HH2 ARG 41 -2.207 0.092 -7.844 347 H LEU 42 H LEU 42 0.483 -1.765 -1.731 348 HA LEU 42 HA LEU 42 -1.082 -4.089 -2.236 349 HB2 LEU 42 2HB LEU 42 1.850 -3.545 -2.694 350 HB3 LEU 42 1HB LEU 42 1.050 -5.018 -3.205 351 HG LEU 42 HG LEU 42 0.376 -2.236 -4.163 352 HD11 LEU 42 1HD1 LEU 42 2.512 -2.987 -5.020 353 HD12 LEU 42 2HD1 LEU 42 1.299 -3.015 -6.301 354 HD13 LEU 42 3HD1 LEU 42 1.799 -4.518 -5.525 355 HD21 LEU 42 3HD2 LEU 42 -1.573 -3.714 -4.110 356 HD22 LEU 42 1HD2 LEU 42 -0.687 -4.921 -5.042 357 HD23 LEU 42 2HD2 LEU 42 -1.076 -3.360 -5.764 358 H ALA 43 H ALA 43 1.160 -3.171 0.189 359 HA ALA 43 HA ALA 43 1.697 -5.753 1.206 360 HB1 ALA 43 1HB ALA 43 1.869 -3.103 2.610 361 HB2 ALA 43 2HB ALA 43 3.157 -3.854 1.666 362 HB3 ALA 43 3HB ALA 43 2.589 -4.619 3.150 363 H ILE 44 H ILE 44 -0.845 -3.390 1.701 364 HA ILE 44 HA ILE 44 -2.017 -4.517 4.020 365 HB ILE 44 HB ILE 44 -3.272 -2.920 1.779 366 HG12 ILE 44 2HG1 ILE 44 -1.630 -1.711 3.181 367 HG13 ILE 44 1HG1 ILE 44 -3.271 -1.078 3.336 368 HG21 ILE 44 1HG2 ILE 44 -4.496 -3.745 4.407 369 HG22 ILE 44 2HG2 ILE 44 -4.979 -4.303 2.804 370 HG23 ILE 44 3HG2 ILE 44 -5.207 -2.614 3.257 371 HD11 ILE 44 3HD1 ILE 44 -1.843 -2.863 5.299 372 HD12 ILE 44 1HD1 ILE 44 -3.526 -2.355 5.433 373 HD13 ILE 44 2HD1 ILE 44 -2.237 -1.155 5.505 374 H LYS 45 H LYS 45 -2.671 -4.886 0.568 375 HA LYS 45 HA LYS 45 -4.731 -6.745 0.794 376 HB2 LYS 45 2HB LYS 45 -3.746 -5.441 -1.286 377 HB3 LYS 45 1HB LYS 45 -2.803 -6.910 -1.491 378 HG2 LYS 45 2HG LYS 45 -5.792 -6.980 -1.234 379 HG3 LYS 45 1HG LYS 45 -4.995 -6.707 -2.782 380 HD2 LYS 45 2HD LYS 45 -4.382 -9.080 -1.034 381 HD3 LYS 45 1HD LYS 45 -5.663 -9.095 -2.248 382 HE2 LYS 45 2HE LYS 45 -4.002 -8.528 -3.973 383 HE3 LYS 45 1HE LYS 45 -2.734 -8.583 -2.750 384 HZ1 LYS 45 3HZ LYS 45 -3.082 -10.638 -4.169 385 HZ2 LYS 45 1HZ LYS 45 -4.493 -10.901 -3.269 386 HZ3 LYS 45 2HZ LYS 45 -2.983 -10.879 -2.493 387 H GLU 46 H GLU 46 -1.244 -7.112 0.824 388 HA GLU 46 HA GLU 46 -1.239 -9.960 0.691 389 HB2 GLU 46 2HB GLU 46 0.709 -8.445 0.126 390 HB3 GLU 46 1HB GLU 46 0.907 -8.178 1.853 391 HG2 GLU 46 2HG GLU 46 2.454 -9.842 1.317 392 HG3 GLU 46 1HG GLU 46 1.107 -10.701 2.065 393 H TYR 47 H TYR 47 -1.218 -7.551 3.247 394 HA TYR 47 HA TYR 47 -0.717 -9.258 5.404 395 HB2 TYR 47 2HB TYR 47 -0.573 -6.776 5.493 396 HB3 TYR 47 1HB TYR 47 -2.330 -6.699 5.416 397 HD1 TYR 47 2HD TYR 47 0.546 -7.629 7.501 398 HD2 TYR 47 1HD TYR 47 -3.681 -7.194 7.347 399 HE1 TYR 47 2HE TYR 47 0.446 -7.814 9.948 400 HE2 TYR 47 1HE TYR 47 -3.795 -7.381 9.797 401 HH TYR 47 HH TYR 47 -2.435 -8.356 11.625 402 H LEU 48 H LEU 48 -3.748 -8.080 4.013 403 HA LEU 48 HA LEU 48 -5.464 -9.448 5.796 404 HB2 LEU 48 2HB LEU 48 -6.071 -8.633 2.953 405 HB3 LEU 48 1HB LEU 48 -7.232 -8.932 4.229 406 HG LEU 48 HG LEU 48 -5.279 -6.633 4.110 407 HD11 LEU 48 1HD1 LEU 48 -7.296 -5.266 3.848 408 HD12 LEU 48 2HD1 LEU 48 -8.277 -6.730 3.804 409 HD13 LEU 48 3HD1 LEU 48 -7.108 -6.415 2.523 410 HD21 LEU 48 3HD2 LEU 48 -5.663 -7.359 6.411 411 HD22 LEU 48 1HD2 LEU 48 -7.406 -7.279 6.153 412 HD23 LEU 48 2HD2 LEU 48 -6.439 -5.807 6.100 413 H ASP 49 H ASP 49 -4.336 -10.181 2.536 414 HA ASP 49 HA ASP 49 -5.861 -12.530 2.207 415 HB2 ASP 49 2HB ASP 49 -4.869 -11.080 0.412 416 HB3 ASP 49 1HB ASP 49 -3.309 -11.807 0.776 417 H ASN 50 H ASN 50 -2.550 -12.007 3.360 418 HA ASN 50 HA ASN 50 -1.931 -14.812 3.191 419 HB2 ASN 50 2HB ASN 50 0.241 -14.219 3.459 420 HB3 ASN 50 1HB ASN 50 -0.362 -12.602 3.114 421 HD21 ASN 50 1HD2 ASN 50 -0.360 -11.084 4.667 422 HD22 ASN 50 2HD2 ASN 50 0.393 -11.290 6.221 423 H HIS 51 H HIS 51 -3.128 -12.671 5.677 424 HA HIS 51 HA HIS 51 -2.685 -14.677 7.740 425 HB2 HIS 51 2HB HIS 51 -3.797 -11.896 7.764 426 HB3 HIS 51 1HB HIS 51 -4.146 -12.984 9.103 427 HD1 HIS 51 1HD HIS 51 -2.034 -13.862 10.466 428 HD2 HIS 51 2HD HIS 51 -1.322 -10.724 7.830 429 HE1 HIS 51 1HE HIS 51 0.172 -12.874 11.158 430 HE2 HIS 51 2HE HIS 51 0.697 -11.158 9.391 431 H ASP 52 H ASP 52 -5.510 -12.994 6.381 432 HA ASP 52 HA ASP 52 -7.193 -15.190 7.331 433 HB2 ASP 52 2HB ASP 52 -7.926 -12.480 6.201 434 HB3 ASP 52 1HB ASP 52 -9.093 -13.702 6.696 435 H LYS 53 H LYS 53 -6.282 -16.630 5.774 436 HA LYS 53 HA LYS 53 -6.442 -16.168 2.975 437 HB2 LYS 53 2HB LYS 53 -6.210 -18.800 4.445 438 HB3 LYS 53 1HB LYS 53 -5.850 -18.523 2.749 439 HG2 LYS 53 2HG LYS 53 -4.014 -17.035 3.390 440 HG3 LYS 53 1HG LYS 53 -4.369 -17.347 5.090 441 HD2 LYS 53 2HD LYS 53 -3.982 -19.764 4.673 442 HD3 LYS 53 1HD LYS 53 -3.496 -19.365 3.027 443 HE2 LYS 53 2HE LYS 53 -1.548 -19.657 4.448 444 HE3 LYS 53 1HE LYS 53 -1.675 -17.985 3.904 445 HZ1 LYS 53 3HZ LYS 53 -2.228 -17.253 5.982 446 HZ2 LYS 53 1HZ LYS 53 -1.173 -18.519 6.379 447 HZ3 LYS 53 2HZ LYS 53 -2.853 -18.744 6.488 448 H GLN 54 H GLN 54 -8.866 -16.626 5.127 449 HA GLN 54 HA GLN 54 -10.505 -18.392 3.528 450 HB2 GLN 54 2HB GLN 54 -11.068 -16.865 6.075 451 HB3 GLN 54 1HB GLN 54 -12.231 -17.921 5.279 452 HG2 GLN 54 2HG GLN 54 -9.556 -18.754 6.383 453 HG3 GLN 54 1HG GLN 54 -11.126 -19.047 7.129 454 HE21 GLN 54 1HE2 GLN 54 -12.515 -20.561 6.228 455 HE22 GLN 54 2HE2 GLN 54 -11.967 -21.757 5.096 456 H LYS 55 H LYS 55 -10.376 -17.024 1.645 457 HA LYS 55 HA LYS 55 -11.820 -14.515 1.664 458 HB2 LYS 55 2HB LYS 55 -11.097 -16.043 -0.823 459 HB3 LYS 55 1HB LYS 55 -11.207 -14.306 -0.597 460 HG2 LYS 55 2HG LYS 55 -9.041 -16.105 0.472 461 HG3 LYS 55 1HG LYS 55 -8.904 -15.000 -0.894 462 HD2 LYS 55 2HD LYS 55 -9.506 -14.170 1.943 463 HD3 LYS 55 1HD LYS 55 -7.910 -14.114 1.195 464 HE2 LYS 55 2HE LYS 55 -8.726 -12.532 -0.465 465 HE3 LYS 55 1HE LYS 55 -10.348 -12.625 0.225 466 HZ1 LYS 55 3HZ LYS 55 -9.439 -11.743 2.310 467 HZ2 LYS 55 1HZ LYS 55 -9.234 -10.663 1.020 468 HZ3 LYS 55 2HZ LYS 55 -7.923 -11.576 1.576 469 H LYS 56 H LYS 56 -12.173 -17.563 -0.101 470 HA LYS 56 HA LYS 56 -14.958 -17.727 0.662 471 HB2 LYS 56 2HB LYS 56 -14.984 -16.412 -1.449 472 HB3 LYS 56 1HB LYS 56 -14.163 -17.740 -2.256 473 HG2 LYS 56 2HG LYS 56 -16.044 -19.191 -1.915 474 HG3 LYS 56 1HG LYS 56 -16.856 -17.973 -0.929 475 HD2 LYS 56 2HD LYS 56 -17.801 -17.983 -3.154 476 HD3 LYS 56 1HD LYS 56 -16.924 -16.476 -2.889 477 HE2 LYS 56 2HE LYS 56 -14.976 -17.489 -4.075 478 HE3 LYS 56 1HE LYS 56 -15.997 -18.878 -4.453 479 HZ1 LYS 56 3HZ LYS 56 -17.526 -17.350 -5.590 480 HZ2 LYS 56 1HZ LYS 56 -15.981 -17.357 -6.295 481 HZ3 LYS 56 2HZ LYS 56 -16.452 -16.071 -5.297 482 H1 GLY 2 1HT GLY 2 22.383 15.569 20.939 483 H2 GLY 2 2HT GLY 2 23.988 15.029 21.050 484 H3 GLY 2 3HT GLY 2 22.714 13.913 21.080 485 HA2 GLY 2 1HA GLY 2 23.404 15.651 18.780 486 HA3 GLY 2 2HA GLY 2 23.830 13.950 18.924 487 H ARG 3 H ARG 3 22.412 14.709 16.761 488 HA ARG 3 HA ARG 3 19.650 13.893 17.369 489 HB2 ARG 3 2HB ARG 3 20.776 15.212 14.893 490 HB3 ARG 3 1HB ARG 3 19.101 14.717 15.096 491 HG2 ARG 3 2HG ARG 3 18.948 16.261 17.036 492 HG3 ARG 3 1HG ARG 3 20.573 16.829 16.647 493 HD2 ARG 3 2HD ARG 3 18.964 18.343 15.696 494 HD3 ARG 3 1HD ARG 3 19.767 17.463 14.395 495 HE ARG 3 HE ARG 3 17.474 16.036 15.003 496 HH11 ARG 3 1HH1 ARG 3 18.250 19.241 13.813 497 HH12 ARG 3 2HH1 ARG 3 16.753 19.413 12.938 498 HH21 ARG 3 1HH2 ARG 3 15.530 16.236 13.833 499 HH22 ARG 3 2HH2 ARG 3 15.203 17.706 12.959 500 HA PRO 4 HA PRO 4 21.053 9.983 15.644 501 HB2 PRO 4 2HB PRO 4 18.426 9.035 16.506 502 HB3 PRO 4 1HB PRO 4 20.025 8.526 17.052 503 HG2 PRO 4 2HG PRO 4 18.330 9.927 18.624 504 HG3 PRO 4 1HG PRO 4 20.093 10.088 18.737 505 HD2 PRO 4 2HD PRO 4 18.108 11.877 17.380 506 HD3 PRO 4 1HD PRO 4 19.522 12.306 18.367 507 H TYR 5 H TYR 5 20.838 10.919 13.507 508 HA TYR 5 HA TYR 5 18.205 11.142 12.334 509 HB2 TYR 5 2HB TYR 5 19.268 12.167 10.493 510 HB3 TYR 5 1HB TYR 5 20.199 12.693 11.888 511 HD1 TYR 5 2HD TYR 5 22.443 11.651 12.331 512 HD2 TYR 5 1HD TYR 5 20.262 10.905 8.749 513 HE1 TYR 5 2HE TYR 5 24.495 10.818 11.256 514 HE2 TYR 5 1HE TYR 5 22.304 10.075 7.669 515 HH TYR 5 HH TYR 5 25.124 9.322 9.379 516 H LYS 6 H LYS 6 20.731 8.841 12.515 517 HA LYS 6 HA LYS 6 19.589 7.277 10.315 518 HB2 LYS 6 2HB LYS 6 22.075 7.655 10.408 519 HB3 LYS 6 1HB LYS 6 22.112 6.693 11.882 520 HG2 LYS 6 2HG LYS 6 22.736 5.313 10.019 521 HG3 LYS 6 1HG LYS 6 21.162 4.794 10.626 522 HD2 LYS 6 2HD LYS 6 20.203 6.377 8.818 523 HD3 LYS 6 1HD LYS 6 21.818 6.288 8.110 524 HE2 LYS 6 2HE LYS 6 20.436 4.627 7.068 525 HE3 LYS 6 1HE LYS 6 21.608 3.809 8.105 526 HZ1 LYS 6 3HZ LYS 6 19.429 2.841 8.394 527 HZ2 LYS 6 1HZ LYS 6 18.764 4.353 8.759 528 HZ3 LYS 6 2HZ LYS 6 19.877 3.648 9.817 529 H LEU 7 H LEU 7 19.721 7.483 13.721 530 HA LEU 7 HA LEU 7 18.910 4.725 14.148 531 HB2 LEU 7 2HB LEU 7 19.193 7.025 16.088 532 HB3 LEU 7 1HB LEU 7 18.846 5.366 16.536 533 HG LEU 7 HG LEU 7 21.386 6.311 15.201 534 HD11 LEU 7 1HD1 LEU 7 20.859 5.472 18.048 535 HD12 LEU 7 2HD1 LEU 7 21.201 7.112 17.497 536 HD13 LEU 7 3HD1 LEU 7 22.435 5.858 17.359 537 HD21 LEU 7 3HD2 LEU 7 22.206 4.059 15.699 538 HD22 LEU 7 1HD2 LEU 7 20.819 4.014 14.611 539 HD23 LEU 7 2HD2 LEU 7 20.616 3.616 16.317 540 H LEU 8 H LEU 8 17.571 7.965 14.795 541 HA LEU 8 HA LEU 8 14.875 6.854 14.704 542 HB2 LEU 8 2HB LEU 8 15.994 9.535 15.463 543 HB3 LEU 8 1HB LEU 8 14.297 9.373 15.057 544 HG LEU 8 HG LEU 8 14.532 9.314 17.442 545 HD11 LEU 8 1HD1 LEU 8 13.991 6.560 16.354 546 HD12 LEU 8 2HD1 LEU 8 12.827 7.875 16.517 547 HD13 LEU 8 3HD1 LEU 8 13.532 7.138 17.957 548 HD21 LEU 8 3HD2 LEU 8 16.849 8.654 17.626 549 HD22 LEU 8 1HD2 LEU 8 16.463 7.042 17.025 550 HD23 LEU 8 2HD2 LEU 8 15.833 7.574 18.584 551 H ASN 9 H ASN 9 16.142 6.462 12.426 552 HA ASN 9 HA ASN 9 15.846 8.617 10.558 553 HB2 ASN 9 2HB ASN 9 17.617 6.854 10.373 554 HB3 ASN 9 1HB ASN 9 16.358 5.682 10.001 555 HD21 ASN 9 1HD2 ASN 9 18.070 8.497 8.885 556 HD22 ASN 9 2HD2 ASN 9 17.655 8.326 7.212 557 H GLY 10 H GLY 10 14.202 9.033 9.253 558 HA2 GLY 10 2HA GLY 10 12.189 7.090 8.610 559 HA3 GLY 10 1HA GLY 10 11.639 8.302 9.764 560 H ILE 11 H ILE 11 11.616 7.537 6.637 561 HA ILE 11 HA ILE 11 11.738 10.318 5.678 562 HB ILE 11 HB ILE 11 11.540 7.816 3.994 563 HG12 ILE 11 2HG1 ILE 11 13.601 7.704 5.305 564 HG13 ILE 11 1HG1 ILE 11 13.957 8.010 3.608 565 HG21 ILE 11 1HG2 ILE 11 10.852 9.879 2.888 566 HG22 ILE 11 2HG2 ILE 11 12.350 9.255 2.194 567 HG23 ILE 11 3HG2 ILE 11 12.396 10.622 3.306 568 HD11 ILE 11 3HD1 ILE 11 13.944 10.066 5.804 569 HD12 ILE 11 1HD1 ILE 11 14.287 10.375 4.103 570 HD13 ILE 11 2HD1 ILE 11 15.370 9.351 5.045 571 H LYS 12 H LYS 12 9.919 11.103 4.415 572 HA LYS 12 HA LYS 12 7.454 9.916 5.460 573 HB2 LYS 12 2HB LYS 12 8.090 12.342 5.896 574 HB3 LYS 12 1HB LYS 12 7.756 12.637 4.195 575 HG2 LYS 12 2HG LYS 12 5.686 11.356 5.929 576 HG3 LYS 12 1HG LYS 12 5.932 13.102 5.979 577 HD2 LYS 12 2HD LYS 12 5.406 13.313 3.657 578 HD3 LYS 12 1HD LYS 12 5.399 11.559 3.446 579 HE2 LYS 12 2HE LYS 12 3.128 12.495 3.566 580 HE3 LYS 12 1HE LYS 12 3.457 11.362 4.874 581 HZ1 LYS 12 3HZ LYS 12 3.456 14.329 5.062 582 HZ2 LYS 12 1HZ LYS 12 3.913 13.289 6.320 583 HZ3 LYS 12 2HZ LYS 12 2.321 13.269 5.739 584 H LEU 13 H LEU 13 6.021 9.030 4.235 585 HA LEU 13 HA LEU 13 6.142 9.372 1.327 586 HB2 LEU 13 2HB LEU 13 5.695 6.930 1.097 587 HB3 LEU 13 1HB LEU 13 7.282 7.312 1.733 588 HG LEU 13 HG LEU 13 5.033 6.612 3.599 589 HD11 LEU 13 1HD1 LEU 13 6.853 4.685 2.163 590 HD12 LEU 13 2HD1 LEU 13 5.102 4.806 1.986 591 HD13 LEU 13 3HD1 LEU 13 5.801 4.279 3.517 592 HD21 LEU 13 3HD2 LEU 13 8.038 6.336 3.751 593 HD22 LEU 13 1HD2 LEU 13 6.901 5.837 5.002 594 HD23 LEU 13 2HD2 LEU 13 7.061 7.545 4.588 595 H GLY 14 H GLY 14 4.118 8.480 0.291 596 HA2 GLY 14 2HA GLY 14 1.812 8.744 2.088 597 HA3 GLY 14 1HA GLY 14 1.947 9.825 0.708 598 H VAL 15 H VAL 15 0.448 7.157 1.738 599 HA VAL 15 HA VAL 15 0.492 5.832 -0.884 600 HB VAL 15 HB VAL 15 -0.601 4.742 1.730 601 HG11 VAL 15 1HG1 VAL 15 -0.075 3.392 -0.908 602 HG12 VAL 15 2HG1 VAL 15 -1.658 3.757 -0.222 603 HG13 VAL 15 3HG1 VAL 15 -0.599 2.591 0.572 604 HG21 VAL 15 3HG2 VAL 15 1.810 5.049 1.864 605 HG22 VAL 15 1HG2 VAL 15 2.016 4.160 0.356 606 HG23 VAL 15 2HG2 VAL 15 1.397 3.335 1.786 607 H TYR 16 H TYR 16 -1.428 5.468 -2.007 608 HA TYR 16 HA TYR 16 -3.742 7.042 -1.083 609 HB2 TYR 16 2HB TYR 16 -2.374 7.368 -3.407 610 HB3 TYR 16 1HB TYR 16 -3.581 6.184 -3.902 611 HD1 TYR 16 1HD TYR 16 -4.226 8.732 -1.345 612 HD2 TYR 16 2HD TYR 16 -4.745 7.651 -5.420 613 HE1 TYR 16 1HE TYR 16 -5.851 10.536 -1.597 614 HE2 TYR 16 2HE TYR 16 -6.389 9.461 -5.695 615 HH TYR 16 HH TYR 16 -7.854 10.839 -4.393 616 H ILE 17 H ILE 17 -5.481 5.864 -0.489 617 HA ILE 17 HA ILE 17 -5.881 3.232 -1.693 618 HB ILE 17 HB ILE 17 -6.130 2.111 0.447 619 HG12 ILE 17 2HG1 ILE 17 -5.092 4.670 1.683 620 HG13 ILE 17 1HG1 ILE 17 -6.746 4.073 1.816 621 HG21 ILE 17 1HG2 ILE 17 -3.742 2.082 1.109 622 HG22 ILE 17 2HG2 ILE 17 -3.474 3.476 0.063 623 HG23 ILE 17 3HG2 ILE 17 -4.000 1.940 -0.628 624 HD11 ILE 17 3HD1 ILE 17 -5.947 2.106 3.006 625 HD12 ILE 17 1HD1 ILE 17 -5.450 3.590 3.821 626 HD13 ILE 17 2HD1 ILE 17 -4.286 2.678 2.855 627 HA PRO 18 HA PRO 18 -10.148 4.020 -1.750 628 HB2 PRO 18 2HB PRO 18 -10.639 1.323 -0.638 629 HB3 PRO 18 1HB PRO 18 -11.143 2.015 -2.182 630 HG2 PRO 18 2HG PRO 18 -9.202 0.189 -2.045 631 HG3 PRO 18 1HG PRO 18 -9.128 1.530 -3.204 632 HD2 PRO 18 2HD PRO 18 -7.676 1.176 -0.611 633 HD3 PRO 18 1HD PRO 18 -7.105 1.868 -2.146 634 H GLN 19 H GLN 19 -12.237 3.877 -0.528 635 HA GLN 19 HA GLN 19 -11.755 4.957 2.105 636 HB2 GLN 19 2HB GLN 19 -13.938 5.805 2.043 637 HB3 GLN 19 1HB GLN 19 -13.409 5.882 0.370 638 HG2 GLN 19 2HG GLN 19 -15.316 4.868 -0.139 639 HG3 GLN 19 1HG GLN 19 -14.604 3.404 0.538 640 HE21 GLN 19 1HE2 GLN 19 -15.126 2.826 2.700 641 HE22 GLN 19 2HE2 GLN 19 -16.575 3.405 3.451 642 H GLU 20 H GLU 20 -13.282 2.091 0.708 643 HA GLU 20 HA GLU 20 -14.368 1.025 3.077 644 HB2 GLU 20 2HB GLU 20 -14.201 -1.184 1.925 645 HB3 GLU 20 1HB GLU 20 -15.011 0.062 0.983 646 HG2 GLU 20 2HG GLU 20 -12.110 -0.247 0.593 647 HG3 GLU 20 1HG GLU 20 -13.147 -1.531 -0.026 648 H TRP 21 H TRP 21 -11.181 1.329 1.953 649 HA TRP 21 HA TRP 21 -10.025 -0.653 3.676 650 HB2 TRP 21 2HB TRP 21 -9.109 1.289 1.671 651 HB3 TRP 21 1HB TRP 21 -7.999 1.068 3.019 652 HD1 TRP 21 HD TRP 21 -10.018 -1.903 1.621 653 HE1 TRP 21 1HE TRP 21 -8.334 -3.534 0.547 654 HE3 TRP 21 3HE TRP 21 -5.804 0.918 2.016 655 HZ2 TRP 21 2HZ TRP 21 -5.573 -3.596 -0.056 656 HZ3 TRP 21 3HZ TRP 21 -3.694 0.017 1.176 657 HH2 TRP 21 HH TRP 21 -3.569 -2.177 0.171 658 H HIS 22 H HIS 22 -10.225 2.895 3.576 659 HA HIS 22 HA HIS 22 -9.011 3.404 6.044 660 HB2 HIS 22 2HB HIS 22 -11.043 4.897 4.413 661 HB3 HIS 22 1HB HIS 22 -10.602 5.473 6.020 662 HD1 HIS 22 1HD HIS 22 -8.874 7.215 5.914 663 HD2 HIS 22 2HD HIS 22 -8.428 4.429 2.855 664 HE1 HIS 22 1HE HIS 22 -6.840 7.936 4.623 665 HE2 HIS 22 2HE HIS 22 -6.681 6.329 2.696 666 H ASP 23 H ASP 23 -12.329 2.564 5.230 667 HA ASP 23 HA ASP 23 -13.543 2.925 7.708 668 HB2 ASP 23 2HB ASP 23 -14.683 2.413 5.552 669 HB3 ASP 23 1HB ASP 23 -14.114 0.754 5.680 670 H ARG 24 H ARG 24 -12.114 -0.082 6.396 671 HA ARG 24 HA ARG 24 -12.532 -1.508 8.850 672 HB2 ARG 24 2HB ARG 24 -11.161 -2.144 6.260 673 HB3 ARG 24 1HB ARG 24 -10.917 -3.186 7.651 674 HG2 ARG 24 2HG ARG 24 -12.651 -4.061 6.203 675 HG3 ARG 24 1HG ARG 24 -13.323 -3.603 7.768 676 HD2 ARG 24 2HD ARG 24 -14.328 -1.669 6.880 677 HD3 ARG 24 1HD ARG 24 -13.387 -1.764 5.392 678 HE ARG 24 HE ARG 24 -14.864 -4.089 5.489 679 HH11 ARG 24 1HH1 ARG 24 -15.652 -0.678 5.562 680 HH12 ARG 24 2HH1 ARG 24 -17.096 -0.858 4.610 681 HH21 ARG 24 1HH2 ARG 24 -16.755 -4.334 4.261 682 HH22 ARG 24 2HH2 ARG 24 -17.728 -2.945 3.885 683 H LEU 25 H LEU 25 -9.821 0.130 7.332 684 HA LEU 25 HA LEU 25 -7.845 -0.824 9.117 685 HB2 LEU 25 2HB LEU 25 -7.946 1.559 7.285 686 HB3 LEU 25 1HB LEU 25 -6.554 1.218 8.299 687 HG LEU 25 HG LEU 25 -7.650 -0.594 6.141 688 HD11 LEU 25 1HD1 LEU 25 -6.549 1.377 5.236 689 HD12 LEU 25 2HD1 LEU 25 -5.578 -0.070 4.961 690 HD13 LEU 25 3HD1 LEU 25 -5.135 1.061 6.241 691 HD21 LEU 25 3HD2 LEU 25 -5.210 -0.887 7.890 692 HD22 LEU 25 1HD2 LEU 25 -5.651 -1.941 6.546 693 HD23 LEU 25 2HD2 LEU 25 -6.676 -1.864 7.979 694 H MET 26 H MET 26 -10.000 1.990 9.191 695 HA MET 26 HA MET 26 -8.865 3.116 11.528 696 HB2 MET 26 2HB MET 26 -11.486 3.429 10.136 697 HB3 MET 26 1HB MET 26 -11.340 4.018 11.787 698 HG2 MET 26 2HG MET 26 -9.307 5.300 11.014 699 HG3 MET 26 1HG MET 26 -9.782 4.878 9.370 700 HE1 MET 26 3HE MET 26 -9.411 7.875 10.750 701 HE2 MET 26 1HE MET 26 -10.698 8.716 9.887 702 HE3 MET 26 2HE MET 26 -9.650 7.589 9.025 703 H GLU 27 H GLU 27 -11.264 0.596 11.016 704 HA GLU 27 HA GLU 27 -12.007 0.318 13.722 705 HB2 GLU 27 2HB GLU 27 -13.180 -0.737 11.765 706 HB3 GLU 27 1HB GLU 27 -11.850 -1.882 11.650 707 HG2 GLU 27 2HG GLU 27 -13.756 -2.846 12.811 708 HG3 GLU 27 1HG GLU 27 -12.354 -2.719 13.875 709 H ILE 28 H ILE 28 -9.423 -1.097 11.799 710 HA ILE 28 HA ILE 28 -8.250 -2.652 13.859 711 HB ILE 28 HB ILE 28 -7.014 -1.420 11.382 712 HG12 ILE 28 2HG1 ILE 28 -7.964 -4.241 11.935 713 HG13 ILE 28 1HG1 ILE 28 -8.829 -3.049 10.970 714 HG21 ILE 28 1HG2 ILE 28 -5.183 -3.018 11.683 715 HG22 ILE 28 2HG2 ILE 28 -5.893 -3.537 13.212 716 HG23 ILE 28 3HG2 ILE 28 -5.291 -1.888 13.034 717 HD11 ILE 28 3HD1 ILE 28 -6.139 -4.244 10.333 718 HD12 ILE 28 1HD1 ILE 28 -6.966 -3.015 9.375 719 HD13 ILE 28 2HD1 ILE 28 -7.673 -4.621 9.546 720 H ALA 29 H ALA 29 -7.990 0.669 12.843 721 HA ALA 29 HA ALA 29 -5.683 1.415 14.280 722 HB1 ALA 29 1HB ALA 29 -6.426 3.705 13.890 723 HB2 ALA 29 2HB ALA 29 -8.013 3.112 13.397 724 HB3 ALA 29 3HB ALA 29 -6.589 2.726 12.431 725 H LYS 30 H LYS 30 -9.025 1.124 15.132 726 HA LYS 30 HA LYS 30 -8.763 2.507 17.656 727 HB2 LYS 30 2HB LYS 30 -10.853 2.412 16.207 728 HB3 LYS 30 1HB LYS 30 -10.995 0.728 16.709 729 HG2 LYS 30 2HG LYS 30 -11.283 1.378 19.001 730 HG3 LYS 30 1HG LYS 30 -10.987 3.071 18.597 731 HD2 LYS 30 2HD LYS 30 -13.357 2.742 18.817 732 HD3 LYS 30 1HD LYS 30 -12.983 3.004 17.113 733 HE2 LYS 30 2HE LYS 30 -13.029 0.541 16.784 734 HE3 LYS 30 1HE LYS 30 -13.533 0.363 18.463 735 HZ1 LYS 30 3HZ LYS 30 -15.446 0.289 17.076 736 HZ2 LYS 30 1HZ LYS 30 -15.014 1.724 16.283 737 HZ3 LYS 30 2HZ LYS 30 -15.481 1.760 17.915 738 H GLU 31 H GLU 31 -9.552 -0.777 16.615 739 HA GLU 31 HA GLU 31 -9.649 -1.871 19.182 740 HB2 GLU 31 2HB GLU 31 -10.674 -2.847 17.139 741 HB3 GLU 31 1HB GLU 31 -9.070 -3.329 16.606 742 HG2 GLU 31 2HG GLU 31 -8.881 -4.628 18.761 743 HG3 GLU 31 1HG GLU 31 -10.601 -4.320 18.989 744 H LYS 32 H LYS 32 -7.009 -1.723 16.827 745 HA LYS 32 HA LYS 32 -5.302 -3.283 18.616 746 HB2 LYS 32 2HB LYS 32 -4.904 -2.360 15.770 747 HB3 LYS 32 1HB LYS 32 -3.674 -3.200 16.696 748 HG2 LYS 32 2HG LYS 32 -4.692 -4.808 15.308 749 HG3 LYS 32 1HG LYS 32 -5.298 -5.103 16.936 750 HD2 LYS 32 2HD LYS 32 -7.404 -4.147 16.428 751 HD3 LYS 32 1HD LYS 32 -6.805 -3.453 14.921 752 HE2 LYS 32 2HE LYS 32 -8.185 -5.396 14.468 753 HE3 LYS 32 1HE LYS 32 -6.514 -5.708 14.005 754 HZ1 LYS 32 3HZ LYS 32 -7.845 -6.652 16.493 755 HZ2 LYS 32 1HZ LYS 32 -6.221 -6.938 16.077 756 HZ3 LYS 32 2HZ LYS 32 -7.464 -7.599 15.138 757 H ASN 33 H ASN 33 -6.070 -0.121 18.067 758 HA ASN 33 HA ASN 33 -5.191 1.900 18.568 759 HB2 ASN 33 2HB ASN 33 -4.745 0.621 20.753 760 HB3 ASN 33 1HB ASN 33 -3.074 0.515 20.210 761 HD21 ASN 33 1HD2 ASN 33 -5.599 2.621 21.319 762 HD22 ASN 33 2HD2 ASN 33 -4.599 3.998 21.623 763 H LEU 34 H LEU 34 -4.532 1.237 16.186 764 HA LEU 34 HA LEU 34 -1.691 1.940 15.851 765 HB2 LEU 34 2HB LEU 34 -3.316 -0.055 14.268 766 HB3 LEU 34 1HB LEU 34 -1.763 0.568 13.741 767 HG LEU 34 HG LEU 34 -2.197 -0.989 16.285 768 HD11 LEU 34 1HD1 LEU 34 -1.110 -2.834 15.099 769 HD12 LEU 34 2HD1 LEU 34 -1.101 -1.870 13.620 770 HD13 LEU 34 3HD1 LEU 34 -2.633 -2.370 14.338 771 HD21 LEU 34 3HD2 LEU 34 -0.289 0.529 16.366 772 HD22 LEU 34 1HD2 LEU 34 0.320 -0.143 14.855 773 HD23 LEU 34 2HD2 LEU 34 0.242 -1.152 16.300 774 H THR 35 H THR 35 -1.294 2.964 13.642 775 HA THR 35 HA THR 35 -3.740 4.295 12.677 776 HB THR 35 HB THR 35 -2.324 5.875 11.510 777 HG1 THR 35 1HG THR 35 -0.058 4.480 12.574 778 HG21 THR 35 3HG2 THR 35 -1.344 5.462 14.336 779 HG22 THR 35 1HG2 THR 35 -2.781 6.367 13.855 780 HG23 THR 35 2HG2 THR 35 -1.180 6.948 13.400 781 H LEU 36 H LEU 36 -4.173 4.274 10.398 782 HA LEU 36 HA LEU 36 -3.848 1.785 9.178 783 HB2 LEU 36 2HB LEU 36 -4.859 2.725 7.241 784 HB3 LEU 36 1HB LEU 36 -5.622 3.434 8.649 785 HG LEU 36 HG LEU 36 -3.476 4.837 7.056 786 HD11 LEU 36 1HD1 LEU 36 -5.452 4.316 5.668 787 HD12 LEU 36 2HD1 LEU 36 -5.241 6.045 5.944 788 HD13 LEU 36 3HD1 LEU 36 -6.466 5.152 6.844 789 HD21 LEU 36 3HD2 LEU 36 -5.507 5.828 9.063 790 HD22 LEU 36 1HD2 LEU 36 -4.402 6.844 8.138 791 HD23 LEU 36 2HD2 LEU 36 -3.765 5.698 9.315 792 H SER 37 H SER 37 -1.958 4.720 8.942 793 HA SER 37 HA SER 37 -0.201 4.039 6.903 794 HB2 SER 37 2HB SER 37 1.347 5.426 8.730 795 HB3 SER 37 1HB SER 37 0.301 6.161 7.510 796 HG SER 37 HG SER 37 -0.244 5.660 10.251 797 H ASP 38 H ASP 38 -0.168 3.165 10.332 798 HA ASP 38 HA ASP 38 2.361 1.899 10.334 799 HB2 ASP 38 2HB ASP 38 -0.048 1.542 12.124 800 HB3 ASP 38 1HB ASP 38 1.463 0.677 12.375 801 H VAL 39 H VAL 39 -0.928 0.636 9.985 802 HA VAL 39 HA VAL 39 -0.244 -2.083 9.918 803 HB VAL 39 HB VAL 39 -2.590 -0.804 8.500 804 HG11 VAL 39 1HG1 VAL 39 -2.172 -3.589 9.580 805 HG12 VAL 39 2HG1 VAL 39 -2.261 -3.119 7.881 806 HG13 VAL 39 3HG1 VAL 39 -3.683 -2.970 8.914 807 HG21 VAL 39 3HG2 VAL 39 -2.559 -0.038 10.789 808 HG22 VAL 39 1HG2 VAL 39 -2.321 -1.686 11.373 809 HG23 VAL 39 2HG2 VAL 39 -3.837 -1.238 10.592 810 H CYS 40 H CYS 40 -0.430 0.321 7.336 811 HA CYS 40 HA CYS 40 -0.208 -1.506 5.201 812 HB2 CYS 40 2HB CYS 40 -0.765 1.127 5.338 813 HB3 CYS 40 1HB CYS 40 0.912 1.227 4.839 814 HG CYS 40 HG CYS 40 -0.213 -0.929 2.838 815 H ARG 41 H ARG 41 2.327 0.692 6.493 816 HA ARG 41 HA ARG 41 4.427 -0.577 5.149 817 HB2 ARG 41 2HB ARG 41 5.927 0.637 6.722 818 HB3 ARG 41 1HB ARG 41 4.746 1.648 5.909 819 HG2 ARG 41 2HG ARG 41 4.623 2.482 8.018 820 HG3 ARG 41 1HG ARG 41 3.369 1.247 8.107 821 HD2 ARG 41 2HD ARG 41 4.889 -0.280 9.195 822 HD3 ARG 41 1HD ARG 41 6.223 0.860 8.983 823 HE ARG 41 HE ARG 41 3.944 1.830 10.498 824 HH11 ARG 41 1HH1 ARG 41 7.134 0.378 10.629 825 HH12 ARG 41 2HH1 ARG 41 7.441 0.900 12.254 826 HH21 ARG 41 1HH2 ARG 41 4.351 2.530 12.622 827 HH22 ARG 41 2HH2 ARG 41 5.877 2.145 13.372 828 H LEU 42 H LEU 42 3.050 -1.320 8.328 829 HA LEU 42 HA LEU 42 5.137 -3.092 9.115 830 HB2 LEU 42 2HB LEU 42 2.239 -2.916 9.945 831 HB3 LEU 42 1HB LEU 42 3.365 -4.065 10.644 832 HG LEU 42 HG LEU 42 3.646 -1.058 10.768 833 HD11 LEU 42 1HD1 LEU 42 1.774 -1.851 12.108 834 HD12 LEU 42 2HD1 LEU 42 3.102 -1.322 13.140 835 HD13 LEU 42 3HD1 LEU 42 2.816 -3.044 12.885 836 HD21 LEU 42 3HD2 LEU 42 5.246 -3.269 12.062 837 HD22 LEU 42 1HD2 LEU 42 5.433 -1.545 12.385 838 HD23 LEU 42 2HD2 LEU 42 5.799 -2.186 10.784 839 H ALA 43 H ALA 43 2.270 -3.391 7.173 840 HA ALA 43 HA ALA 43 2.336 -6.215 6.935 841 HB1 ALA 43 1HB ALA 43 1.121 -4.187 5.066 842 HB2 ALA 43 2HB ALA 43 0.325 -4.877 6.481 843 HB3 ALA 43 3HB ALA 43 0.760 -5.910 5.119 844 H ILE 44 H ILE 44 4.050 -3.598 5.402 845 HA ILE 44 HA ILE 44 5.000 -4.997 3.122 846 HB ILE 44 HB ILE 44 6.396 -2.764 4.622 847 HG12 ILE 44 2HG1 ILE 44 4.539 -2.649 2.239 848 HG13 ILE 44 1HG1 ILE 44 4.166 -2.079 3.864 849 HG21 ILE 44 1HG2 ILE 44 7.595 -2.385 2.540 850 HG22 ILE 44 2HG2 ILE 44 6.747 -3.735 1.789 851 HG23 ILE 44 3HG2 ILE 44 7.866 -4.028 3.121 852 HD11 ILE 44 3HD1 ILE 44 5.956 -0.415 3.680 853 HD12 ILE 44 1HD1 ILE 44 4.742 -0.221 2.415 854 HD13 ILE 44 2HD1 ILE 44 6.295 -0.970 2.041 855 H LYS 45 H LYS 45 6.246 -4.527 6.391 856 HA LYS 45 HA LYS 45 8.655 -5.881 6.152 857 HB2 LYS 45 2HB LYS 45 8.002 -4.624 8.173 858 HB3 LYS 45 1HB LYS 45 6.790 -5.847 8.535 859 HG2 LYS 45 2HG LYS 45 8.768 -7.495 8.546 860 HG3 LYS 45 1HG LYS 45 9.774 -6.052 8.682 861 HD2 LYS 45 2HD LYS 45 7.542 -6.822 10.564 862 HD3 LYS 45 1HD LYS 45 9.264 -7.047 10.870 863 HE2 LYS 45 2HE LYS 45 9.597 -4.619 10.727 864 HE3 LYS 45 1HE LYS 45 7.867 -4.405 10.451 865 HZ1 LYS 45 3HZ LYS 45 8.403 -4.020 12.760 866 HZ2 LYS 45 1HZ LYS 45 9.127 -5.551 12.888 867 HZ3 LYS 45 2HZ LYS 45 7.453 -5.420 12.626 868 H GLU 46 H GLU 46 5.446 -7.117 6.978 869 HA GLU 46 HA GLU 46 6.293 -9.826 7.252 870 HB2 GLU 46 2HB GLU 46 4.303 -8.831 8.379 871 HB3 GLU 46 1HB GLU 46 3.509 -8.730 6.814 872 HG2 GLU 46 2HG GLU 46 3.519 -11.125 6.605 873 HG3 GLU 46 1HG GLU 46 4.447 -11.280 8.099 874 H TYR 47 H TYR 47 5.176 -7.814 4.663 875 HA TYR 47 HA TYR 47 4.464 -9.758 2.786 876 HB2 TYR 47 2HB TYR 47 3.992 -7.341 2.550 877 HB3 TYR 47 1HB TYR 47 5.707 -7.033 2.325 878 HD1 TYR 47 1HD TYR 47 6.798 -7.599 0.209 879 HD2 TYR 47 2HD TYR 47 2.645 -8.303 0.784 880 HE1 TYR 47 1HE TYR 47 6.512 -7.871 -2.219 881 HE2 TYR 47 2HE TYR 47 2.349 -8.584 -1.639 882 HH TYR 47 HH TYR 47 3.532 -7.829 -3.738 883 H LEU 48 H LEU 48 7.535 -8.150 3.451 884 HA LEU 48 HA LEU 48 9.063 -9.617 1.561 885 HB2 LEU 48 2HB LEU 48 10.085 -8.307 4.079 886 HB3 LEU 48 1HB LEU 48 10.992 -8.660 2.622 887 HG LEU 48 HG LEU 48 8.799 -6.605 2.893 888 HD11 LEU 48 1HD1 LEU 48 11.771 -6.293 2.513 889 HD12 LEU 48 2HD1 LEU 48 10.873 -5.960 3.994 890 HD13 LEU 48 3HD1 LEU 48 10.586 -4.987 2.551 891 HD21 LEU 48 3HD2 LEU 48 10.536 -7.274 0.518 892 HD22 LEU 48 1HD2 LEU 48 9.374 -5.949 0.617 893 HD23 LEU 48 2HD2 LEU 48 8.813 -7.621 0.667 894 H ASP 49 H ASP 49 8.632 -9.894 5.050 895 HA ASP 49 HA ASP 49 10.490 -11.915 5.527 896 HB2 ASP 49 2HB ASP 49 9.421 -10.428 7.227 897 HB3 ASP 49 1HB ASP 49 7.961 -11.399 7.095 898 H ASN 50 H ASN 50 7.071 -12.151 4.628 899 HA ASN 50 HA ASN 50 7.023 -14.975 5.210 900 HB2 ASN 50 2HB ASN 50 4.755 -14.880 4.996 901 HB3 ASN 50 1HB ASN 50 5.062 -13.169 5.260 902 HD21 ASN 50 1HD2 ASN 50 4.752 -11.729 3.624 903 HD22 ASN 50 2HD2 ASN 50 3.947 -12.148 2.148 904 H HIS 51 H HIS 51 7.874 -13.056 2.516 905 HA HIS 51 HA HIS 51 7.315 -15.152 0.578 906 HB2 HIS 51 2HB HIS 51 8.529 -12.403 0.326 907 HB3 HIS 51 1HB HIS 51 8.512 -13.545 -1.013 908 HD1 HIS 51 1HD HIS 51 7.062 -11.154 -1.724 909 HD2 HIS 51 2HD HIS 51 5.232 -14.140 0.527 910 HE1 HIS 51 1HE HIS 51 4.587 -10.807 -2.006 911 HE2 HIS 51 2HE HIS 51 3.497 -12.507 -0.497 912 H ASP 52 H ASP 52 10.174 -13.500 1.905 913 HA ASP 52 HA ASP 52 11.787 -15.791 1.020 914 HB2 ASP 52 2HB ASP 52 12.583 -13.449 0.478 915 HB3 ASP 52 1HB ASP 52 12.796 -13.200 2.209 916 H LYS 53 H LYS 53 11.505 -17.346 2.481 917 HA LYS 53 HA LYS 53 11.059 -16.712 5.266 918 HB2 LYS 53 2HB LYS 53 11.155 -19.362 3.818 919 HB3 LYS 53 1HB LYS 53 10.664 -19.140 5.490 920 HG2 LYS 53 2HG LYS 53 8.737 -17.869 4.815 921 HG3 LYS 53 1HG LYS 53 9.270 -17.889 3.132 922 HD2 LYS 53 2HD LYS 53 9.017 -20.313 3.066 923 HD3 LYS 53 1HD LYS 53 8.536 -20.324 4.762 924 HE2 LYS 53 2HE LYS 53 6.609 -20.501 3.250 925 HE3 LYS 53 1HE LYS 53 6.546 -19.043 4.237 926 HZ1 LYS 53 3HZ LYS 53 7.031 -17.701 2.434 927 HZ2 LYS 53 1HZ LYS 53 6.016 -18.871 1.750 928 HZ3 LYS 53 2HZ LYS 53 7.696 -18.965 1.519 929 H GLN 54 H GLN 54 13.749 -17.226 3.374 930 HA GLN 54 HA GLN 54 15.311 -18.514 5.465 931 HB2 GLN 54 2HB GLN 54 16.270 -17.410 2.820 932 HB3 GLN 54 1HB GLN 54 17.143 -18.492 3.898 933 HG2 GLN 54 2HG GLN 54 14.663 -19.127 2.316 934 HG3 GLN 54 1HG GLN 54 16.294 -19.726 2.025 935 HE21 GLN 54 1HE2 GLN 54 17.145 -21.315 3.374 936 HE22 GLN 54 2HE2 GLN 54 16.141 -22.253 4.434 937 H LYS 55 H LYS 55 15.951 -17.275 7.101 938 HA LYS 55 HA LYS 55 16.486 -14.420 6.559 939 HB2 LYS 55 2HB LYS 55 15.927 -15.439 9.319 940 HB3 LYS 55 1HB LYS 55 15.616 -13.852 8.636 941 HG2 LYS 55 2HG LYS 55 14.053 -16.370 8.097 942 HG3 LYS 55 1HG LYS 55 13.542 -15.007 9.091 943 HD2 LYS 55 2HD LYS 55 14.139 -14.856 6.138 944 HD3 LYS 55 1HD LYS 55 12.526 -15.031 6.826 945 HE2 LYS 55 2HE LYS 55 12.779 -12.902 7.985 946 HE3 LYS 55 1HE LYS 55 14.410 -12.734 7.330 947 HZ1 LYS 55 3HZ LYS 55 12.726 -11.475 6.077 948 HZ2 LYS 55 1HZ LYS 55 11.958 -12.934 5.678 949 HZ3 LYS 55 2HZ LYS 55 13.531 -12.630 5.127 950 H LYS 56 H LYS 56 17.338 -17.021 8.792 951 HA LYS 56 HA LYS 56 20.165 -16.451 8.471 952 HB2 LYS 56 2HB LYS 56 19.513 -15.033 10.373 953 HB3 LYS 56 1HB LYS 56 18.804 -16.428 11.173 954 HG2 LYS 56 2HG LYS 56 20.971 -17.459 11.398 955 HG3 LYS 56 1HG LYS 56 21.720 -16.149 10.481 956 HD2 LYS 56 2HD LYS 56 22.041 -15.905 12.913 957 HD3 LYS 56 1HD LYS 56 21.140 -14.559 12.215 958 HE2 LYS 56 2HE LYS 56 19.048 -15.556 12.977 959 HE3 LYS 56 1HE LYS 56 19.937 -16.926 13.646 960 HZ1 LYS 56 3HZ LYS 56 20.336 -14.112 14.506 961 HZ2 LYS 56 1HZ LYS 56 20.974 -15.508 15.232 962 HZ3 LYS 56 2HZ LYS 56 19.307 -15.208 15.295 Start of MODEL 3 1 H1 GLY 2 1HT GLY 2 -21.178 20.424 -1.493 2 H2 GLY 2 2HT GLY 2 -20.076 19.330 -2.170 3 H3 GLY 2 3HT GLY 2 -19.564 20.419 -0.976 4 HA2 GLY 2 1HA GLY 2 -20.968 19.344 0.658 5 HA3 GLY 2 2HA GLY 2 -21.519 18.224 -0.583 6 H ARG 3 H ARG 3 -20.626 16.827 1.297 7 HA ARG 3 HA ARG 3 -17.786 16.257 0.731 8 HB2 ARG 3 2HB ARG 3 -19.321 15.956 3.317 9 HB3 ARG 3 1HB ARG 3 -17.717 15.293 3.052 10 HG2 ARG 3 2HG ARG 3 -16.783 17.485 2.806 11 HG3 ARG 3 1HG ARG 3 -18.390 18.219 2.860 12 HD2 ARG 3 2HD ARG 3 -18.693 17.528 5.129 13 HD3 ARG 3 1HD ARG 3 -17.209 16.578 5.093 14 HE ARG 3 HE ARG 3 -16.424 19.145 4.526 15 HH11 ARG 3 1HH1 ARG 3 -18.220 17.638 7.144 16 HH12 ARG 3 2HH1 ARG 3 -17.563 18.688 8.359 17 HH21 ARG 3 1HH2 ARG 3 -15.575 20.531 6.131 18 HH22 ARG 3 2HH2 ARG 3 -16.057 20.330 7.789 19 HA PRO 4 HA PRO 4 -20.041 12.507 -0.554 20 HB2 PRO 4 2HB PRO 4 -18.358 11.797 -2.530 21 HB3 PRO 4 1HB PRO 4 -19.565 13.072 -2.740 22 HG2 PRO 4 2HG PRO 4 -16.636 13.319 -2.171 23 HG3 PRO 4 1HG PRO 4 -17.638 14.249 -3.301 24 HD2 PRO 4 2HD PRO 4 -16.924 15.149 -0.819 25 HD3 PRO 4 1HD PRO 4 -18.404 15.650 -1.658 26 H TYR 5 H TYR 5 -16.916 13.104 0.642 27 HA TYR 5 HA TYR 5 -15.387 11.925 1.816 28 HB2 TYR 5 2HB TYR 5 -17.605 9.885 2.095 29 HB3 TYR 5 1HB TYR 5 -16.122 9.921 3.044 30 HD1 TYR 5 1HD TYR 5 -15.689 12.277 4.234 31 HD2 TYR 5 2HD TYR 5 -19.496 10.797 3.051 32 HE1 TYR 5 1HE TYR 5 -16.768 13.750 5.881 33 HE2 TYR 5 2HE TYR 5 -20.584 12.268 4.691 34 HH TYR 5 HH TYR 5 -19.979 13.383 6.832 35 H LYS 6 H LYS 6 -16.054 11.321 -1.139 36 HA LYS 6 HA LYS 6 -14.855 8.680 -1.426 37 HB2 LYS 6 2HB LYS 6 -15.767 10.561 -3.611 38 HB3 LYS 6 1HB LYS 6 -15.467 8.835 -3.746 39 HG2 LYS 6 2HG LYS 6 -17.651 10.049 -2.074 40 HG3 LYS 6 1HG LYS 6 -17.865 9.450 -3.718 41 HD2 LYS 6 2HD LYS 6 -17.202 7.216 -3.002 42 HD3 LYS 6 1HD LYS 6 -16.937 7.811 -1.361 43 HE2 LYS 6 2HE LYS 6 -19.262 8.314 -1.098 44 HE3 LYS 6 1HE LYS 6 -19.581 7.971 -2.798 45 HZ1 LYS 6 3HZ LYS 6 -18.972 5.662 -2.395 46 HZ2 LYS 6 1HZ LYS 6 -20.271 6.136 -1.414 47 HZ3 LYS 6 2HZ LYS 6 -18.714 5.999 -0.752 48 H LEU 7 H LEU 7 -14.345 12.009 -2.533 49 HA LEU 7 HA LEU 7 -12.550 13.128 -3.328 50 HB2 LEU 7 2HB LEU 7 -11.806 12.617 -0.981 51 HB3 LEU 7 1HB LEU 7 -10.940 11.232 -1.616 52 HG LEU 7 HG LEU 7 -9.543 12.744 -2.983 53 HD11 LEU 7 1HD1 LEU 7 -11.123 14.568 -3.275 54 HD12 LEU 7 2HD1 LEU 7 -9.618 15.156 -2.567 55 HD13 LEU 7 3HD1 LEU 7 -11.043 14.932 -1.553 56 HD21 LEU 7 3HD2 LEU 7 -9.609 13.440 -0.048 57 HD22 LEU 7 1HD2 LEU 7 -8.248 13.696 -1.140 58 HD23 LEU 7 2HD2 LEU 7 -8.783 12.058 -0.765 59 H LEU 8 H LEU 8 -13.471 11.504 -5.115 60 HA LEU 8 HA LEU 8 -13.069 10.345 -7.022 61 HB2 LEU 8 2HB LEU 8 -10.219 11.217 -6.539 62 HB3 LEU 8 1HB LEU 8 -10.845 10.577 -8.047 63 HG LEU 8 HG LEU 8 -11.715 13.160 -6.750 64 HD11 LEU 8 1HD1 LEU 8 -10.573 14.232 -8.624 65 HD12 LEU 8 2HD1 LEU 8 -10.011 12.656 -9.182 66 HD13 LEU 8 3HD1 LEU 8 -9.455 13.292 -7.636 67 HD21 LEU 8 3HD2 LEU 8 -12.924 13.546 -8.848 68 HD22 LEU 8 1HD2 LEU 8 -13.527 12.121 -8.000 69 HD23 LEU 8 2HD2 LEU 8 -12.473 11.933 -9.401 70 H ASN 9 H ASN 9 -13.026 8.952 -4.541 71 HA ASN 9 HA ASN 9 -12.558 6.952 -3.603 72 HB2 ASN 9 2HB ASN 9 -12.100 6.321 -6.512 73 HB3 ASN 9 1HB ASN 9 -11.926 5.094 -5.259 74 HD21 ASN 9 1HD2 ASN 9 -14.133 7.148 -6.971 75 HD22 ASN 9 2HD2 ASN 9 -15.589 6.392 -6.424 76 H GLY 10 H GLY 10 -10.665 8.619 -3.023 77 HA2 GLY 10 2HA GLY 10 -8.379 6.920 -2.667 78 HA3 GLY 10 1HA GLY 10 -8.052 8.274 -3.745 79 H ILE 11 H ILE 11 -7.301 7.472 -0.862 80 HA ILE 11 HA ILE 11 -7.842 10.117 0.312 81 HB ILE 11 HB ILE 11 -7.927 7.549 1.912 82 HG12 ILE 11 2HG1 ILE 11 -9.891 7.750 0.391 83 HG13 ILE 11 1HG1 ILE 11 -10.320 7.801 2.098 84 HG21 ILE 11 1HG2 ILE 11 -8.754 8.963 3.718 85 HG22 ILE 11 2HG2 ILE 11 -8.627 10.380 2.677 86 HG23 ILE 11 3HG2 ILE 11 -7.173 9.506 3.160 87 HD11 ILE 11 3HD1 ILE 11 -10.101 10.166 0.248 88 HD12 ILE 11 1HD1 ILE 11 -10.520 10.237 1.959 89 HD13 ILE 11 2HD1 ILE 11 -11.593 9.422 0.819 90 H LYS 12 H LYS 12 -6.112 10.943 1.544 91 HA LYS 12 HA LYS 12 -3.601 9.574 0.887 92 HB2 LYS 12 2HB LYS 12 -3.818 11.815 -0.036 93 HB3 LYS 12 1HB LYS 12 -4.151 12.469 1.558 94 HG2 LYS 12 2HG LYS 12 -1.883 12.971 0.926 95 HG3 LYS 12 1HG LYS 12 -1.882 11.831 2.270 96 HD2 LYS 12 2HD LYS 12 -0.215 11.162 0.664 97 HD3 LYS 12 1HD LYS 12 -1.533 9.991 0.653 98 HE2 LYS 12 2HE LYS 12 -0.845 10.472 -1.615 99 HE3 LYS 12 1HE LYS 12 -2.470 11.088 -1.337 100 HZ1 LYS 12 3HZ LYS 12 -1.512 13.308 -1.014 101 HZ2 LYS 12 1HZ LYS 12 -1.164 12.684 -2.552 102 HZ3 LYS 12 2HZ LYS 12 0.032 12.692 -1.354 103 H LEU 13 H LEU 13 -2.320 8.820 2.371 104 HA LEU 13 HA LEU 13 -2.704 9.635 5.164 105 HB2 LEU 13 2HB LEU 13 -1.866 7.248 5.671 106 HB3 LEU 13 1HB LEU 13 -3.536 7.462 5.187 107 HG LEU 13 HG LEU 13 -1.506 6.783 3.097 108 HD11 LEU 13 1HD1 LEU 13 -2.783 4.797 4.977 109 HD12 LEU 13 2HD1 LEU 13 -1.063 5.175 4.871 110 HD13 LEU 13 3HD1 LEU 13 -1.880 4.396 3.515 111 HD21 LEU 13 3HD2 LEU 13 -4.421 6.110 3.499 112 HD22 LEU 13 1HD2 LEU 13 -3.439 5.622 2.118 113 HD23 LEU 13 2HD2 LEU 13 -3.774 7.332 2.400 114 H GLY 14 H GLY 14 -0.874 9.987 6.351 115 HA2 GLY 14 2HA GLY 14 1.562 10.222 4.720 116 HA3 GLY 14 1HA GLY 14 1.192 11.174 6.148 117 H VAL 15 H VAL 15 2.786 8.463 4.932 118 HA VAL 15 HA VAL 15 3.010 7.222 7.592 119 HB VAL 15 HB VAL 15 3.895 6.037 4.955 120 HG11 VAL 15 1HG1 VAL 15 3.692 3.902 6.168 121 HG12 VAL 15 2HG1 VAL 15 3.298 4.797 7.635 122 HG13 VAL 15 3HG1 VAL 15 4.885 4.983 6.888 123 HG21 VAL 15 3HG2 VAL 15 1.238 5.681 6.335 124 HG22 VAL 15 1HG2 VAL 15 1.794 4.784 4.921 125 HG23 VAL 15 2HG2 VAL 15 1.514 6.522 4.809 126 H TYR 16 H TYR 16 5.136 6.515 8.285 127 HA TYR 16 HA TYR 16 7.395 7.813 6.947 128 HB2 TYR 16 2HB TYR 16 6.530 8.118 9.773 129 HB3 TYR 16 1HB TYR 16 8.258 7.950 9.483 130 HD1 TYR 16 2HD TYR 16 5.283 9.981 8.610 131 HD2 TYR 16 1HD TYR 16 9.525 9.732 8.653 132 HE1 TYR 16 2HE TYR 16 5.425 12.338 7.958 133 HE2 TYR 16 1HE TYR 16 9.678 12.088 7.988 134 HH TYR 16 HH TYR 16 8.379 13.787 6.936 135 H ILE 17 H ILE 17 9.156 6.579 6.734 136 HA ILE 17 HA ILE 17 9.272 4.047 8.211 137 HB ILE 17 HB ILE 17 9.839 2.796 6.189 138 HG12 ILE 17 2HG1 ILE 17 9.179 5.341 4.698 139 HG13 ILE 17 1HG1 ILE 17 10.788 4.646 4.874 140 HG21 ILE 17 1HG2 ILE 17 7.618 2.773 5.132 141 HG22 ILE 17 2HG2 ILE 17 7.222 4.279 5.961 142 HG23 ILE 17 3HG2 ILE 17 7.520 2.813 6.894 143 HD11 ILE 17 3HD1 ILE 17 9.852 4.145 2.698 144 HD12 ILE 17 1HD1 ILE 17 8.458 3.377 3.459 145 HD13 ILE 17 2HD1 ILE 17 10.064 2.669 3.643 146 HA PRO 18 HA PRO 18 13.578 4.820 8.858 147 HB2 PRO 18 2HB PRO 18 13.939 2.001 7.953 148 HB3 PRO 18 1HB PRO 18 14.534 2.800 9.412 149 HG2 PRO 18 2HG PRO 18 12.459 1.141 9.519 150 HG3 PRO 18 1HG PRO 18 12.494 2.619 10.499 151 HD2 PRO 18 2HD PRO 18 10.961 2.023 8.015 152 HD3 PRO 18 1HD PRO 18 10.503 3.014 9.414 153 H GLN 19 H GLN 19 15.444 5.263 7.741 154 HA GLN 19 HA GLN 19 15.131 5.989 5.070 155 HB2 GLN 19 2HB GLN 19 16.794 6.808 6.907 156 HB3 GLN 19 1HB GLN 19 17.841 5.546 6.280 157 HG2 GLN 19 2HG GLN 19 16.656 7.681 4.536 158 HG3 GLN 19 1HG GLN 19 18.183 7.887 5.384 159 HE21 GLN 19 1HE2 GLN 19 16.558 6.380 2.746 160 HE22 GLN 19 2HE2 GLN 19 17.960 5.710 1.991 161 H GLU 20 H GLU 20 17.155 3.368 6.419 162 HA GLU 20 HA GLU 20 18.079 2.384 3.972 163 HB2 GLU 20 2HB GLU 20 17.708 0.997 6.625 164 HB3 GLU 20 1HB GLU 20 18.539 0.272 5.255 165 HG2 GLU 20 2HG GLU 20 19.339 2.808 6.664 166 HG3 GLU 20 1HG GLU 20 20.104 1.231 6.850 167 H TRP 21 H TRP 21 15.026 1.882 5.542 168 HA TRP 21 HA TRP 21 14.382 -0.484 4.010 169 HB2 TRP 21 2HB TRP 21 13.554 -0.253 6.306 170 HB3 TRP 21 1HB TRP 21 12.725 1.238 5.881 171 HD1 TRP 21 HD TRP 21 12.500 -1.888 3.656 172 HE1 TRP 21 1HE TRP 21 10.063 -2.716 3.682 173 HE3 TRP 21 3HE TRP 21 10.617 1.207 7.263 174 HZ2 TRP 21 2HZ TRP 21 7.662 -2.132 5.054 175 HZ3 TRP 21 3HZ TRP 21 8.242 1.007 7.871 176 HH2 TRP 21 HH TRP 21 6.787 -0.625 6.785 177 H HIS 22 H HIS 22 13.600 2.946 4.085 178 HA HIS 22 HA HIS 22 11.840 3.044 1.892 179 HB2 HIS 22 2HB HIS 22 12.232 4.932 3.457 180 HB3 HIS 22 1HB HIS 22 13.858 5.121 2.807 181 HD1 HIS 22 1HD HIS 22 14.006 6.045 0.304 182 HD2 HIS 22 2HD HIS 22 10.238 6.183 2.049 183 HE1 HIS 22 1HE HIS 22 12.658 7.608 -1.122 184 HE2 HIS 22 2HE HIS 22 10.449 7.816 0.045 185 H ASP 23 H ASP 23 15.338 3.073 2.145 186 HA ASP 23 HA ASP 23 15.970 3.788 -0.495 187 HB2 ASP 23 2HB ASP 23 17.554 3.863 1.399 188 HB3 ASP 23 1HB ASP 23 17.572 2.104 1.437 189 H ARG 24 H ARG 24 15.683 0.563 1.007 190 HA ARG 24 HA ARG 24 16.288 -0.783 -1.467 191 HB2 ARG 24 2HB ARG 24 15.385 -1.707 1.248 192 HB3 ARG 24 1HB ARG 24 15.346 -2.812 -0.117 193 HG2 ARG 24 2HG ARG 24 17.380 -3.097 1.179 194 HG3 ARG 24 1HG ARG 24 17.749 -2.507 -0.440 195 HD2 ARG 24 2HD ARG 24 18.069 -0.275 0.391 196 HD3 ARG 24 1HD ARG 24 17.530 -0.757 1.998 197 HE ARG 24 HE ARG 24 19.727 -2.348 1.292 198 HH11 ARG 24 1HH1 ARG 24 19.024 1.007 1.978 199 HH12 ARG 24 2HH1 ARG 24 20.562 1.316 2.714 200 HH21 ARG 24 1HH2 ARG 24 21.762 -1.947 2.208 201 HH22 ARG 24 2HH2 ARG 24 22.148 -0.358 2.801 202 H LEU 25 H LEU 25 13.416 0.272 0.186 203 HA LEU 25 HA LEU 25 11.542 -1.110 -1.393 204 HB2 LEU 25 2HB LEU 25 11.469 1.377 0.264 205 HB3 LEU 25 1HB LEU 25 10.117 1.024 -0.801 206 HG LEU 25 HG LEU 25 11.129 -0.713 1.452 207 HD11 LEU 25 1HD1 LEU 25 8.577 0.851 1.115 208 HD12 LEU 25 2HD1 LEU 25 9.904 1.241 2.208 209 HD13 LEU 25 3HD1 LEU 25 8.954 -0.225 2.461 210 HD21 LEU 25 3HD2 LEU 25 8.827 -1.168 -0.447 211 HD22 LEU 25 1HD2 LEU 25 9.214 -2.156 0.962 212 HD23 LEU 25 2HD2 LEU 25 10.332 -2.087 -0.400 213 H MET 26 H MET 26 13.297 1.915 -1.867 214 HA MET 26 HA MET 26 11.947 2.737 -4.203 215 HB2 MET 26 2HB MET 26 14.765 3.290 -3.277 216 HB3 MET 26 1HB MET 26 14.034 4.049 -4.684 217 HG2 MET 26 2HG MET 26 12.261 4.947 -3.189 218 HG3 MET 26 1HG MET 26 13.172 4.313 -1.817 219 HE1 MET 26 3HE MET 26 15.747 5.064 -1.339 220 HE2 MET 26 1HE MET 26 16.562 6.340 -2.241 221 HE3 MET 26 2HE MET 26 16.177 4.811 -3.031 222 H GLU 27 H GLU 27 14.799 0.688 -3.726 223 HA GLU 27 HA GLU 27 15.409 0.411 -6.465 224 HB2 GLU 27 2HB GLU 27 17.048 -0.183 -4.786 225 HB3 GLU 27 1HB GLU 27 15.990 -1.430 -4.138 226 HG2 GLU 27 2HG GLU 27 16.190 -2.700 -6.197 227 HG3 GLU 27 1HG GLU 27 17.204 -1.438 -6.896 228 H ILE 28 H ILE 28 13.497 -1.597 -4.262 229 HA ILE 28 HA ILE 28 12.692 -3.505 -6.183 230 HB ILE 28 HB ILE 28 11.230 -2.583 -3.695 231 HG12 ILE 28 2HG1 ILE 28 13.068 -4.948 -4.141 232 HG13 ILE 28 1HG1 ILE 28 13.509 -3.468 -3.296 233 HG21 ILE 28 1HG2 ILE 28 10.855 -5.076 -5.357 234 HG22 ILE 28 2HG2 ILE 28 9.723 -3.730 -5.224 235 HG23 ILE 28 3HG2 ILE 28 10.063 -4.739 -3.818 236 HD11 ILE 28 3HD1 ILE 28 11.810 -3.943 -1.600 237 HD12 ILE 28 1HD1 ILE 28 12.996 -5.242 -1.732 238 HD13 ILE 28 2HD1 ILE 28 11.395 -5.436 -2.445 239 H ALA 29 H ALA 29 11.466 -0.349 -5.309 240 HA ALA 29 HA ALA 29 8.974 -0.452 -6.602 241 HB1 ALA 29 1HB ALA 29 9.583 1.258 -4.947 242 HB2 ALA 29 2HB ALA 29 8.976 1.970 -6.442 243 HB3 ALA 29 3HB ALA 29 10.707 1.967 -6.106 244 H LYS 30 H LYS 30 12.191 0.387 -7.779 245 HA LYS 30 HA LYS 30 11.222 1.383 -10.290 246 HB2 LYS 30 2HB LYS 30 13.997 0.668 -9.333 247 HB3 LYS 30 1HB LYS 30 13.659 1.334 -10.926 248 HG2 LYS 30 2HG LYS 30 12.731 3.344 -9.875 249 HG3 LYS 30 1HG LYS 30 13.109 2.676 -8.286 250 HD2 LYS 30 2HD LYS 30 15.474 2.654 -8.827 251 HD3 LYS 30 1HD LYS 30 15.128 3.230 -10.459 252 HE2 LYS 30 2HE LYS 30 14.233 5.306 -9.544 253 HE3 LYS 30 1HE LYS 30 14.540 4.726 -7.909 254 HZ1 LYS 30 3HZ LYS 30 16.892 4.709 -8.362 255 HZ2 LYS 30 1HZ LYS 30 16.258 6.248 -8.694 256 HZ3 LYS 30 2HZ LYS 30 16.629 5.191 -9.968 257 H GLU 31 H GLU 31 12.373 -1.640 -9.042 258 HA GLU 31 HA GLU 31 12.838 -2.943 -11.489 259 HB2 GLU 31 2HB GLU 31 13.620 -3.780 -9.299 260 HB3 GLU 31 1HB GLU 31 11.959 -4.151 -8.863 261 HG2 GLU 31 2HG GLU 31 11.837 -5.737 -10.730 262 HG3 GLU 31 1HG GLU 31 13.518 -5.385 -11.120 263 H LYS 32 H LYS 32 9.916 -2.589 -9.516 264 HA LYS 32 HA LYS 32 8.407 -4.213 -11.423 265 HB2 LYS 32 2HB LYS 32 7.768 -3.169 -8.681 266 HB3 LYS 32 1HB LYS 32 6.509 -3.796 -9.731 267 HG2 LYS 32 2HG LYS 32 7.046 -5.616 -8.424 268 HG3 LYS 32 1HG LYS 32 7.998 -5.900 -9.882 269 HD2 LYS 32 2HD LYS 32 9.975 -5.004 -8.779 270 HD3 LYS 32 1HD LYS 32 9.025 -4.653 -7.333 271 HE2 LYS 32 2HE LYS 32 10.168 -6.688 -6.916 272 HE3 LYS 32 1HE LYS 32 8.482 -7.101 -7.217 273 HZ1 LYS 32 3HZ LYS 32 9.744 -8.643 -8.428 274 HZ2 LYS 32 1HZ LYS 32 10.802 -7.454 -9.020 275 HZ3 LYS 32 2HZ LYS 32 9.204 -7.528 -9.588 276 H ASN 33 H ASN 33 9.213 -1.033 -11.147 277 HA ASN 33 HA ASN 33 8.424 0.928 -11.974 278 HB2 ASN 33 2HB ASN 33 6.712 -0.977 -13.567 279 HB3 ASN 33 1HB ASN 33 6.574 0.768 -13.746 280 HD21 ASN 33 1HD2 ASN 33 8.541 -2.026 -14.324 281 HD22 ASN 33 2HD2 ASN 33 9.687 -1.250 -15.358 282 H LEU 34 H LEU 34 7.605 0.293 -9.534 283 HA LEU 34 HA LEU 34 4.861 1.342 -9.372 284 HB2 LEU 34 2HB LEU 34 6.058 -0.903 -7.733 285 HB3 LEU 34 1HB LEU 34 4.563 -0.080 -7.319 286 HG LEU 34 HG LEU 34 5.025 -1.664 -9.848 287 HD11 LEU 34 1HD1 LEU 34 4.989 -3.083 -7.855 288 HD12 LEU 34 2HD1 LEU 34 3.548 -3.321 -8.841 289 HD13 LEU 34 3HD1 LEU 34 3.458 -2.360 -7.365 290 HD21 LEU 34 3HD2 LEU 34 2.530 -0.399 -8.712 291 HD22 LEU 34 1HD2 LEU 34 2.598 -1.435 -10.136 292 HD23 LEU 34 2HD2 LEU 34 3.408 0.131 -10.147 293 H THR 35 H THR 35 4.471 2.291 -7.111 294 HA THR 35 HA THR 35 6.969 3.540 -6.195 295 HB THR 35 HB THR 35 5.618 5.233 -5.101 296 HG1 THR 35 1HG THR 35 3.352 3.777 -6.080 297 HG21 THR 35 3HG2 THR 35 6.122 5.607 -7.454 298 HG22 THR 35 1HG2 THR 35 4.536 6.262 -7.050 299 HG23 THR 35 2HG2 THR 35 4.664 4.731 -7.918 300 H LEU 36 H LEU 36 7.286 3.747 -3.850 301 HA LEU 36 HA LEU 36 6.929 1.342 -2.467 302 HB2 LEU 36 2HB LEU 36 7.775 2.455 -0.519 303 HB3 LEU 36 1HB LEU 36 8.662 3.011 -1.916 304 HG LEU 36 HG LEU 36 6.406 4.595 -0.736 305 HD11 LEU 36 1HD1 LEU 36 8.068 4.228 1.000 306 HD12 LEU 36 2HD1 LEU 36 8.101 5.901 0.442 307 HD13 LEU 36 3HD1 LEU 36 9.342 4.768 -0.095 308 HD21 LEU 36 3HD2 LEU 36 7.073 5.189 -3.015 309 HD22 LEU 36 1HD2 LEU 36 8.744 5.371 -2.477 310 HD23 LEU 36 2HD2 LEU 36 7.498 6.460 -1.869 311 H SER 37 H SER 37 4.994 4.243 -2.594 312 HA SER 37 HA SER 37 3.163 3.747 -0.573 313 HB2 SER 37 2HB SER 37 2.548 4.947 -3.276 314 HB3 SER 37 1HB SER 37 1.714 5.259 -1.752 315 HG SER 37 HG SER 37 3.086 6.833 -1.558 316 H ASP 38 H ASP 38 3.254 2.575 -3.914 317 HA ASP 38 HA ASP 38 0.799 1.175 -3.858 318 HB2 ASP 38 2HB ASP 38 3.282 0.816 -5.539 319 HB3 ASP 38 1HB ASP 38 1.844 -0.177 -5.747 320 H VAL 39 H VAL 39 4.131 0.183 -3.200 321 HA VAL 39 HA VAL 39 3.579 -2.547 -2.734 322 HB VAL 39 HB VAL 39 5.806 -0.891 -1.529 323 HG11 VAL 39 1HG1 VAL 39 5.552 -3.059 -0.456 324 HG12 VAL 39 2HG1 VAL 39 7.028 -3.007 -1.418 325 HG13 VAL 39 3HG1 VAL 39 5.609 -3.860 -2.027 326 HG21 VAL 39 3HG2 VAL 39 5.771 -0.642 -3.949 327 HG22 VAL 39 1HG2 VAL 39 5.726 -2.394 -4.147 328 HG23 VAL 39 2HG2 VAL 39 7.150 -1.621 -3.451 329 H CYS 40 H CYS 40 3.380 0.283 -0.686 330 HA CYS 40 HA CYS 40 3.207 -1.091 1.789 331 HB2 CYS 40 2HB CYS 40 3.705 1.414 1.289 332 HB3 CYS 40 1HB CYS 40 1.957 1.612 1.258 333 HG CYS 40 HG CYS 40 1.613 1.749 3.784 334 H ARG 41 H ARG 41 0.577 0.539 -0.042 335 HA ARG 41 HA ARG 41 -1.497 -0.722 1.301 336 HB2 ARG 41 2HB ARG 41 -2.891 -0.168 -0.702 337 HB3 ARG 41 1HB ARG 41 -2.001 1.179 -0.014 338 HG2 ARG 41 2HG ARG 41 -1.667 1.533 -2.240 339 HG3 ARG 41 1HG ARG 41 -0.241 0.569 -1.851 340 HD2 ARG 41 2HD ARG 41 -1.232 -0.235 -3.907 341 HD3 ARG 41 1HD ARG 41 -1.425 -1.447 -2.640 342 HE ARG 41 HE ARG 41 -3.744 -0.185 -2.453 343 HH11 ARG 41 1HH1 ARG 41 -2.022 -1.245 -5.308 344 HH12 ARG 41 2HH1 ARG 41 -3.460 -1.505 -6.243 345 HH21 ARG 41 1HH2 ARG 41 -5.651 -0.536 -3.682 346 HH22 ARG 41 2HH2 ARG 41 -5.530 -1.107 -5.317 347 H LEU 42 H LEU 42 0.461 -1.948 -1.368 348 HA LEU 42 HA LEU 42 -1.175 -4.256 -1.809 349 HB2 LEU 42 2HB LEU 42 1.709 -3.681 -2.473 350 HB3 LEU 42 1HB LEU 42 0.919 -5.192 -2.882 351 HG LEU 42 HG LEU 42 0.119 -2.456 -3.882 352 HD11 LEU 42 1HD1 LEU 42 2.205 -3.238 -4.855 353 HD12 LEU 42 2HD1 LEU 42 0.904 -3.277 -6.047 354 HD13 LEU 42 3HD1 LEU 42 1.448 -4.772 -5.285 355 HD21 LEU 42 3HD2 LEU 42 -1.806 -3.941 -3.635 356 HD22 LEU 42 1HD2 LEU 42 -0.977 -5.184 -4.570 357 HD23 LEU 42 2HD2 LEU 42 -1.433 -3.661 -5.335 358 H ALA 43 H ALA 43 1.142 -3.349 0.536 359 HA ALA 43 HA ALA 43 1.929 -5.936 1.387 360 HB1 ALA 43 1HB ALA 43 1.971 -3.321 2.870 361 HB2 ALA 43 2HB ALA 43 3.271 -3.977 1.876 362 HB3 ALA 43 3HB ALA 43 2.796 -4.798 3.363 363 H ILE 44 H ILE 44 -0.519 -3.603 2.525 364 HA ILE 44 HA ILE 44 -1.521 -5.340 4.544 365 HB ILE 44 HB ILE 44 -3.631 -3.835 4.337 366 HG12 ILE 44 2HG1 ILE 44 -1.601 -2.210 2.796 367 HG13 ILE 44 1HG1 ILE 44 -3.117 -2.853 2.169 368 HG21 ILE 44 1HG2 ILE 44 -0.960 -2.831 5.277 369 HG22 ILE 44 2HG2 ILE 44 -2.154 -3.737 6.206 370 HG23 ILE 44 3HG2 ILE 44 -2.505 -2.088 5.688 371 HD11 ILE 44 3HD1 ILE 44 -3.302 -0.478 2.661 372 HD12 ILE 44 1HD1 ILE 44 -2.855 -0.781 4.341 373 HD13 ILE 44 2HD1 ILE 44 -4.367 -1.424 3.699 374 H LYS 45 H LYS 45 -2.122 -4.966 1.138 375 HA LYS 45 HA LYS 45 -4.452 -6.506 0.966 376 HB2 LYS 45 2HB LYS 45 -3.641 -5.282 -0.959 377 HB3 LYS 45 1HB LYS 45 -2.150 -6.213 -0.973 378 HG2 LYS 45 2HG LYS 45 -3.410 -8.230 -1.536 379 HG3 LYS 45 1HG LYS 45 -4.904 -7.291 -1.533 380 HD2 LYS 45 2HD LYS 45 -4.152 -5.970 -3.387 381 HD3 LYS 45 1HD LYS 45 -2.548 -6.703 -3.315 382 HE2 LYS 45 2HE LYS 45 -5.110 -8.171 -3.930 383 HE3 LYS 45 1HE LYS 45 -3.941 -7.625 -5.133 384 HZ1 LYS 45 3HZ LYS 45 -2.267 -9.040 -4.036 385 HZ2 LYS 45 1HZ LYS 45 -3.572 -9.934 -4.647 386 HZ3 LYS 45 2HZ LYS 45 -3.462 -9.626 -2.984 387 H GLU 46 H GLU 46 -1.048 -7.421 1.086 388 HA GLU 46 HA GLU 46 -1.440 -10.234 0.875 389 HB2 GLU 46 2HB GLU 46 0.726 -9.358 0.374 390 HB3 GLU 46 1HB GLU 46 0.799 -8.480 1.892 391 HG2 GLU 46 2HG GLU 46 2.272 -10.259 2.161 392 HG3 GLU 46 1HG GLU 46 0.822 -10.753 3.028 393 H TYR 47 H TYR 47 -1.268 -7.896 3.450 394 HA TYR 47 HA TYR 47 -1.125 -9.618 5.641 395 HB2 TYR 47 2HB TYR 47 -0.745 -7.100 5.551 396 HB3 TYR 47 1HB TYR 47 -2.493 -6.928 5.608 397 HD1 TYR 47 1HD TYR 47 0.475 -8.030 7.483 398 HD2 TYR 47 2HD TYR 47 -3.691 -7.192 7.658 399 HE1 TYR 47 1HE TYR 47 0.576 -8.073 9.938 400 HE2 TYR 47 2HE TYR 47 -3.607 -7.244 10.116 401 HH TYR 47 HH TYR 47 -0.589 -7.371 11.846 402 H LEU 48 H LEU 48 -3.929 -8.055 4.115 403 HA LEU 48 HA LEU 48 -5.877 -9.240 5.802 404 HB2 LEU 48 2HB LEU 48 -6.275 -8.198 3.000 405 HB3 LEU 48 1HB LEU 48 -7.511 -8.417 4.220 406 HG LEU 48 HG LEU 48 -5.286 -6.382 4.271 407 HD11 LEU 48 1HD1 LEU 48 -8.271 -6.078 3.994 408 HD12 LEU 48 2HD1 LEU 48 -7.085 -5.870 2.706 409 HD13 LEU 48 3HD1 LEU 48 -7.097 -4.765 4.080 410 HD21 LEU 48 3HD2 LEU 48 -7.467 -6.921 6.282 411 HD22 LEU 48 1HD2 LEU 48 -6.371 -5.540 6.304 412 HD23 LEU 48 2HD2 LEU 48 -5.738 -7.171 6.519 413 H ASP 49 H ASP 49 -5.018 -9.873 2.429 414 HA ASP 49 HA ASP 49 -6.834 -11.976 2.048 415 HB2 ASP 49 2HB ASP 49 -5.927 -10.658 0.230 416 HB3 ASP 49 1HB ASP 49 -4.309 -11.257 0.560 417 H ASN 50 H ASN 50 -3.862 -11.971 3.709 418 HA ASN 50 HA ASN 50 -3.168 -14.699 3.260 419 HB2 ASN 50 2HB ASN 50 -1.609 -12.900 4.102 420 HB3 ASN 50 1HB ASN 50 -2.441 -13.004 5.649 421 HD21 ASN 50 1HD2 ASN 50 -0.386 -14.653 3.387 422 HD22 ASN 50 2HD2 ASN 50 0.220 -15.837 4.500 423 H HIS 51 H HIS 51 -4.722 -13.025 6.022 424 HA HIS 51 HA HIS 51 -5.506 -15.652 7.040 425 HB2 HIS 51 2HB HIS 51 -6.249 -14.393 9.092 426 HB3 HIS 51 1HB HIS 51 -4.527 -14.357 8.759 427 HD1 HIS 51 1HD HIS 51 -7.586 -12.105 8.315 428 HD2 HIS 51 2HD HIS 51 -3.454 -11.874 8.810 429 HE1 HIS 51 1HE HIS 51 -7.060 -9.660 8.569 430 HE2 HIS 51 2HE HIS 51 -4.601 -9.578 9.082 431 H ASP 52 H ASP 52 -6.861 -13.084 5.271 432 HA ASP 52 HA ASP 52 -9.511 -14.292 5.613 433 HB2 ASP 52 2HB ASP 52 -8.786 -11.400 5.910 434 HB3 ASP 52 1HB ASP 52 -10.383 -11.847 5.319 435 H LYS 53 H LYS 53 -8.522 -15.257 3.538 436 HA LYS 53 HA LYS 53 -8.737 -13.595 1.208 437 HB2 LYS 53 2HB LYS 53 -7.347 -15.611 1.169 438 HB3 LYS 53 1HB LYS 53 -8.762 -16.611 1.472 439 HG2 LYS 53 2HG LYS 53 -9.701 -16.000 -0.671 440 HG3 LYS 53 1HG LYS 53 -8.359 -14.893 -0.969 441 HD2 LYS 53 2HD LYS 53 -8.062 -17.864 -0.561 442 HD3 LYS 53 1HD LYS 53 -8.145 -17.077 -2.139 443 HE2 LYS 53 2HE LYS 53 -6.061 -16.588 -0.012 444 HE3 LYS 53 1HE LYS 53 -5.832 -17.523 -1.488 445 HZ1 LYS 53 3HZ LYS 53 -6.364 -14.604 -1.282 446 HZ2 LYS 53 1HZ LYS 53 -6.360 -15.465 -2.746 447 HZ3 LYS 53 2HZ LYS 53 -4.944 -15.355 -1.820 448 H GLN 54 H GLN 54 -10.808 -15.927 2.853 449 HA GLN 54 HA GLN 54 -13.038 -15.267 1.108 450 HB2 GLN 54 2HB GLN 54 -12.694 -17.272 3.332 451 HB3 GLN 54 1HB GLN 54 -14.256 -16.948 2.590 452 HG2 GLN 54 2HG GLN 54 -11.794 -17.934 1.163 453 HG3 GLN 54 1HG GLN 54 -13.194 -18.907 1.614 454 HE21 GLN 54 1HE2 GLN 54 -12.026 -18.330 -1.021 455 HE22 GLN 54 2HE2 GLN 54 -13.315 -17.640 -1.958 456 H LYS 55 H LYS 55 -14.255 -13.582 1.526 457 HA LYS 55 HA LYS 55 -14.359 -12.544 4.268 458 HB2 LYS 55 2HB LYS 55 -15.318 -10.494 3.172 459 HB3 LYS 55 1HB LYS 55 -13.676 -10.887 2.690 460 HG2 LYS 55 2HG LYS 55 -14.673 -12.006 0.657 461 HG3 LYS 55 1HG LYS 55 -16.207 -11.261 1.113 462 HD2 LYS 55 2HD LYS 55 -15.118 -9.855 -0.509 463 HD3 LYS 55 1HD LYS 55 -15.079 -9.045 1.058 464 HE2 LYS 55 2HE LYS 55 -12.783 -9.815 1.398 465 HE3 LYS 55 1HE LYS 55 -12.816 -10.621 -0.168 466 HZ1 LYS 55 3HZ LYS 55 -13.034 -7.698 0.318 467 HZ2 LYS 55 1HZ LYS 55 -13.159 -8.435 -1.207 468 HZ3 LYS 55 2HZ LYS 55 -11.703 -8.516 -0.339 469 H LYS 56 H LYS 56 -15.742 -14.575 4.551 470 HA LYS 56 HA LYS 56 -18.529 -13.728 4.452 471 HB2 LYS 56 2HB LYS 56 -18.098 -15.169 2.441 472 HB3 LYS 56 1HB LYS 56 -17.680 -16.482 3.533 473 HG2 LYS 56 2HG LYS 56 -19.952 -16.335 4.504 474 HG3 LYS 56 1HG LYS 56 -20.354 -15.121 3.287 475 HD2 LYS 56 2HD LYS 56 -19.502 -17.968 2.753 476 HD3 LYS 56 1HD LYS 56 -21.139 -17.330 2.611 477 HE2 LYS 56 2HE LYS 56 -20.341 -15.774 0.866 478 HE3 LYS 56 1HE LYS 56 -18.744 -16.514 0.966 479 HZ1 LYS 56 3HZ LYS 56 -19.813 -18.653 0.363 480 HZ2 LYS 56 1HZ LYS 56 -19.929 -17.475 -0.857 481 HZ3 LYS 56 2HZ LYS 56 -21.270 -17.822 0.121 482 H1 GLY 2 1HT GLY 2 20.794 20.714 -0.136 483 H2 GLY 2 2HT GLY 2 22.117 19.663 -0.015 484 H3 GLY 2 3HT GLY 2 22.241 21.247 0.575 485 HA2 GLY 2 1HA GLY 2 21.968 19.800 2.429 486 HA3 GLY 2 2HA GLY 2 20.509 20.759 2.225 487 H ARG 3 H ARG 3 21.891 17.708 1.023 488 HA ARG 3 HA ARG 3 19.331 16.411 1.682 489 HB2 ARG 3 2HB ARG 3 21.021 15.928 -0.782 490 HB3 ARG 3 1HB ARG 3 19.680 14.905 -0.288 491 HG2 ARG 3 2HG ARG 3 18.162 16.828 -0.510 492 HG3 ARG 3 1HG ARG 3 19.518 17.809 -1.066 493 HD2 ARG 3 2HD ARG 3 19.831 16.291 -2.960 494 HD3 ARG 3 1HD ARG 3 18.472 15.316 -2.401 495 HE ARG 3 HE ARG 3 17.577 17.944 -2.699 496 HH11 ARG 3 1HH1 ARG 3 18.710 15.288 -4.708 497 HH12 ARG 3 2HH1 ARG 3 17.824 15.810 -6.107 498 HH21 ARG 3 1HH2 ARG 3 16.402 18.609 -4.536 499 HH22 ARG 3 2HH2 ARG 3 16.522 17.702 -6.016 500 HA PRO 4 HA PRO 4 22.701 14.321 3.932 501 HB2 PRO 4 2HB PRO 4 20.670 13.691 5.908 502 HB3 PRO 4 1HB PRO 4 22.099 14.711 6.077 503 HG2 PRO 4 2HG PRO 4 19.557 15.682 6.096 504 HG3 PRO 4 1HG PRO 4 20.956 16.622 5.544 505 HD2 PRO 4 2HD PRO 4 18.887 15.175 3.936 506 HD3 PRO 4 1HD PRO 4 19.646 16.755 3.639 507 H TYR 5 H TYR 5 19.868 13.283 2.499 508 HA TYR 5 HA TYR 5 19.107 11.302 1.701 509 HB2 TYR 5 2HB TYR 5 21.650 10.113 2.823 510 HB3 TYR 5 1HB TYR 5 20.528 9.296 1.744 511 HD1 TYR 5 1HD TYR 5 20.245 10.193 -0.607 512 HD2 TYR 5 2HD TYR 5 23.340 11.503 1.994 513 HE1 TYR 5 1HE TYR 5 21.501 11.048 -2.541 514 HE2 TYR 5 2HE TYR 5 24.601 12.359 0.082 515 HH TYR 5 HH TYR 5 24.789 12.131 -2.265 516 H LYS 6 H LYS 6 20.535 11.010 4.923 517 HA LYS 6 HA LYS 6 18.775 8.817 5.601 518 HB2 LYS 6 2HB LYS 6 20.797 10.268 7.318 519 HB3 LYS 6 1HB LYS 6 20.072 8.702 7.649 520 HG2 LYS 6 2HG LYS 6 21.848 9.291 5.279 521 HG3 LYS 6 1HG LYS 6 22.396 8.569 6.799 522 HD2 LYS 6 2HD LYS 6 20.916 6.675 6.466 523 HD3 LYS 6 1HD LYS 6 20.277 7.406 4.994 524 HE2 LYS 6 2HE LYS 6 22.478 7.268 3.956 525 HE3 LYS 6 1HE LYS 6 23.144 6.577 5.435 526 HZ1 LYS 6 3HZ LYS 6 21.726 4.662 5.171 527 HZ2 LYS 6 1HZ LYS 6 22.630 4.888 3.755 528 HZ3 LYS 6 2HZ LYS 6 21.000 5.335 3.793 529 H LEU 7 H LEU 7 19.567 11.867 7.284 530 HA LEU 7 HA LEU 7 18.329 13.310 8.513 531 HB2 LEU 7 2HB LEU 7 17.290 13.640 6.277 532 HB3 LEU 7 1HB LEU 7 16.077 12.447 6.695 533 HG LEU 7 HG LEU 7 15.298 13.897 8.533 534 HD11 LEU 7 1HD1 LEU 7 17.403 15.069 8.977 535 HD12 LEU 7 2HD1 LEU 7 16.079 16.197 8.695 536 HD13 LEU 7 3HD1 LEU 7 17.265 15.898 7.425 537 HD21 LEU 7 3HD2 LEU 7 15.391 15.232 5.832 538 HD22 LEU 7 1HD2 LEU 7 14.247 15.599 7.125 539 HD23 LEU 7 2HD2 LEU 7 14.226 14.015 6.350 540 H LEU 8 H LEU 8 18.716 11.473 10.100 541 HA LEU 8 HA LEU 8 18.039 10.393 11.970 542 HB2 LEU 8 2HB LEU 8 15.301 11.523 11.389 543 HB3 LEU 8 1HB LEU 8 15.831 10.821 12.905 544 HG LEU 8 HG LEU 8 16.884 13.371 11.680 545 HD11 LEU 8 1HD1 LEU 8 15.774 14.454 13.574 546 HD12 LEU 8 2HD1 LEU 8 15.122 12.895 14.080 547 HD13 LEU 8 3HD1 LEU 8 14.623 13.603 12.544 548 HD21 LEU 8 3HD2 LEU 8 17.521 12.089 14.336 549 HD22 LEU 8 1HD2 LEU 8 18.116 13.647 13.759 550 HD23 LEU 8 2HD2 LEU 8 18.603 12.160 12.945 551 H ASN 9 H ASN 9 17.631 9.420 9.129 552 HA ASN 9 HA ASN 9 16.953 7.581 8.018 553 HB2 ASN 9 2HB ASN 9 17.024 6.534 10.838 554 HB3 ASN 9 1HB ASN 9 16.582 5.499 9.483 555 HD21 ASN 9 1HD2 ASN 9 19.145 7.280 11.014 556 HD22 ASN 9 2HD2 ASN 9 20.444 6.593 10.094 557 H GLY 10 H GLY 10 15.017 9.184 7.851 558 HA2 GLY 10 2HA GLY 10 12.647 7.539 8.056 559 HA3 GLY 10 1HA GLY 10 12.617 8.981 9.063 560 H ILE 11 H ILE 11 11.951 7.724 6.052 561 HA ILE 11 HA ILE 11 12.096 10.357 4.733 562 HB ILE 11 HB ILE 11 11.689 7.684 3.378 563 HG12 ILE 11 2HG1 ILE 11 13.831 7.636 4.582 564 HG13 ILE 11 1HG1 ILE 11 14.078 7.688 2.839 565 HG21 ILE 11 1HG2 ILE 11 12.631 10.342 2.304 566 HG22 ILE 11 2HG2 ILE 11 11.033 9.635 2.067 567 HG23 ILE 11 3HG2 ILE 11 12.453 8.853 1.373 568 HD11 ILE 11 3HD1 ILE 11 14.293 10.036 4.709 569 HD12 ILE 11 1HD1 ILE 11 14.554 10.069 2.965 570 HD13 ILE 11 2HD1 ILE 11 15.641 9.143 4.001 571 H LYS 12 H LYS 12 10.266 10.948 3.337 572 HA LYS 12 HA LYS 12 7.756 10.152 4.621 573 HB2 LYS 12 2HB LYS 12 7.997 12.497 4.695 574 HB3 LYS 12 1HB LYS 12 8.624 12.573 3.053 575 HG2 LYS 12 2HG LYS 12 6.453 13.453 2.935 576 HG3 LYS 12 1HG LYS 12 6.325 11.817 2.290 577 HD2 LYS 12 2HD LYS 12 4.500 11.885 3.684 578 HD3 LYS 12 1HD LYS 12 5.720 11.220 4.772 579 HE2 LYS 12 2HE LYS 12 4.503 12.951 5.922 580 HE3 LYS 12 1HE LYS 12 6.147 13.510 5.617 581 HZ1 LYS 12 3HZ LYS 12 5.327 14.761 3.709 582 HZ2 LYS 12 1HZ LYS 12 4.536 15.234 5.136 583 HZ3 LYS 12 2HZ LYS 12 3.745 14.228 4.023 584 H LEU 13 H LEU 13 6.326 8.974 3.613 585 HA LEU 13 HA LEU 13 6.290 8.893 0.691 586 HB2 LEU 13 2HB LEU 13 5.819 6.455 0.795 587 HB3 LEU 13 1HB LEU 13 7.440 6.887 1.294 588 HG LEU 13 HG LEU 13 5.280 6.439 3.336 589 HD11 LEU 13 1HD1 LEU 13 7.066 4.347 2.102 590 HD12 LEU 13 2HD1 LEU 13 5.313 4.453 1.927 591 HD13 LEU 13 3HD1 LEU 13 6.025 4.114 3.505 592 HD21 LEU 13 3HD2 LEU 13 8.289 6.187 3.388 593 HD22 LEU 13 1HD2 LEU 13 7.211 5.841 4.740 594 HD23 LEU 13 2HD2 LEU 13 7.337 7.486 4.115 595 H GLY 14 H GLY 14 4.330 9.198 -0.117 596 HA2 GLY 14 2HA GLY 14 2.081 9.135 1.764 597 HA3 GLY 14 1HA GLY 14 2.135 10.059 0.272 598 H VAL 15 H VAL 15 0.744 7.469 1.674 599 HA VAL 15 HA VAL 15 0.572 5.939 -0.833 600 HB VAL 15 HB VAL 15 -0.309 5.092 1.952 601 HG11 VAL 15 1HG1 VAL 15 -0.448 2.847 0.989 602 HG12 VAL 15 2HG1 VAL 15 -0.065 3.508 -0.600 603 HG13 VAL 15 3HG1 VAL 15 -1.566 3.965 0.207 604 HG21 VAL 15 3HG2 VAL 15 2.157 4.324 0.400 605 HG22 VAL 15 1HG2 VAL 15 1.654 3.640 1.944 606 HG23 VAL 15 2HG2 VAL 15 2.108 5.341 1.841 607 H TYR 16 H TYR 16 -1.618 5.220 -1.491 608 HA TYR 16 HA TYR 16 -3.702 7.123 -0.664 609 HB2 TYR 16 2HB TYR 16 -2.292 7.428 -2.987 610 HB3 TYR 16 1HB TYR 16 -3.645 6.436 -3.519 611 HD1 TYR 16 1HD TYR 16 -3.597 9.117 -0.960 612 HD2 TYR 16 2HD TYR 16 -4.961 7.861 -4.781 613 HE1 TYR 16 1HE TYR 16 -5.009 11.112 -1.099 614 HE2 TYR 16 2HE TYR 16 -6.381 9.861 -4.937 615 HH TYR 16 HH TYR 16 -6.069 12.514 -2.855 616 H ILE 17 H ILE 17 -5.319 5.910 0.083 617 HA ILE 17 HA ILE 17 -6.308 3.733 -1.586 618 HB ILE 17 HB ILE 17 -6.739 2.367 0.526 619 HG12 ILE 17 2HG1 ILE 17 -4.525 4.157 1.563 620 HG13 ILE 17 1HG1 ILE 17 -6.169 4.078 2.187 621 HG21 ILE 17 1HG2 ILE 17 -4.521 1.312 0.399 622 HG22 ILE 17 2HG2 ILE 17 -3.926 2.710 -0.497 623 HG23 ILE 17 3HG2 ILE 17 -5.182 1.687 -1.194 624 HD11 ILE 17 3HD1 ILE 17 -4.189 1.810 2.218 625 HD12 ILE 17 1HD1 ILE 17 -5.808 1.797 2.917 626 HD13 ILE 17 2HD1 ILE 17 -4.568 2.861 3.587 627 HA PRO 18 HA PRO 18 -10.057 5.722 -0.943 628 HB2 PRO 18 2HB PRO 18 -11.577 3.325 -1.483 629 HB3 PRO 18 1HB PRO 18 -11.225 4.682 -2.554 630 HG2 PRO 18 2HG PRO 18 -10.193 2.169 -2.889 631 HG3 PRO 18 1HG PRO 18 -9.407 3.647 -3.473 632 HD2 PRO 18 2HD PRO 18 -8.829 2.024 -1.026 633 HD3 PRO 18 1HD PRO 18 -7.703 2.820 -2.150 634 H GLN 19 H GLN 19 -12.428 5.216 -0.229 635 HA GLN 19 HA GLN 19 -12.589 5.355 2.507 636 HB2 GLN 19 2HB GLN 19 -14.561 6.088 1.734 637 HB3 GLN 19 1HB GLN 19 -14.435 5.128 0.268 638 HG2 GLN 19 2HG GLN 19 -15.157 3.150 1.635 639 HG3 GLN 19 1HG GLN 19 -15.535 4.287 2.933 640 HE21 GLN 19 1HE2 GLN 19 -17.238 2.479 1.343 641 HE22 GLN 19 2HE2 GLN 19 -18.472 3.493 0.657 642 H GLU 20 H GLU 20 -13.478 2.522 0.541 643 HA GLU 20 HA GLU 20 -14.322 0.785 2.456 644 HB2 GLU 20 2HB GLU 20 -12.658 0.090 0.030 645 HB3 GLU 20 1HB GLU 20 -13.686 -1.026 0.923 646 HG2 GLU 20 2HG GLU 20 -14.677 1.445 -0.482 647 HG3 GLU 20 1HG GLU 20 -14.690 -0.175 -1.179 648 H TRP 21 H TRP 21 -11.017 1.558 1.640 649 HA TRP 21 HA TRP 21 -9.864 -0.571 3.157 650 HB2 TRP 21 2HB TRP 21 -8.761 1.950 1.928 651 HB3 TRP 21 1HB TRP 21 -7.760 0.850 2.868 652 HD1 TRP 21 HD TRP 21 -10.264 0.222 -0.073 653 HE1 TRP 21 1HE TRP 21 -9.034 -1.236 -1.808 654 HE3 TRP 21 3HE TRP 21 -5.763 -0.189 2.281 655 HZ2 TRP 21 2HZ TRP 21 -6.472 -2.396 -2.127 656 HZ3 TRP 21 3HZ TRP 21 -3.972 -1.483 1.207 657 HH2 TRP 21 HH TRP 21 -4.312 -2.555 -0.944 658 H HIS 22 H HIS 22 -10.081 2.946 3.562 659 HA HIS 22 HA HIS 22 -8.847 3.035 6.067 660 HB2 HIS 22 2HB HIS 22 -10.711 4.912 4.643 661 HB3 HIS 22 1HB HIS 22 -10.160 5.253 6.284 662 HD1 HIS 22 1HD HIS 22 -8.218 6.775 6.297 663 HD2 HIS 22 2HD HIS 22 -8.189 4.270 2.965 664 HE1 HIS 22 1HE HIS 22 -6.143 7.376 5.003 665 HE2 HIS 22 2HE HIS 22 -6.241 5.971 2.917 666 H ASP 23 H ASP 23 -12.246 2.611 5.188 667 HA ASP 23 HA ASP 23 -13.343 2.919 7.745 668 HB2 ASP 23 2HB ASP 23 -14.713 2.809 5.698 669 HB3 ASP 23 1HB ASP 23 -14.315 1.101 5.527 670 H ARG 24 H ARG 24 -12.357 -0.103 6.091 671 HA ARG 24 HA ARG 24 -12.996 -1.682 8.402 672 HB2 ARG 24 2HB ARG 24 -11.612 -2.296 5.798 673 HB3 ARG 24 1HB ARG 24 -11.698 -3.484 7.087 674 HG2 ARG 24 2HG ARG 24 -13.448 -3.907 5.499 675 HG3 ARG 24 1HG ARG 24 -14.163 -3.347 7.008 676 HD2 ARG 24 2HD ARG 24 -14.564 -1.183 6.109 677 HD3 ARG 24 1HD ARG 24 -13.605 -1.536 4.674 678 HE ARG 24 HE ARG 24 -15.797 -3.338 4.918 679 HH11 ARG 24 1HH1 ARG 24 -14.987 -0.058 4.036 680 HH12 ARG 24 2HH1 ARG 24 -16.279 0.104 2.885 681 HH21 ARG 24 1HH2 ARG 24 -17.541 -3.123 3.436 682 HH22 ARG 24 2HH2 ARG 24 -17.737 -1.634 2.565 683 H LEU 25 H LEU 25 -10.059 -0.311 7.027 684 HA LEU 25 HA LEU 25 -8.217 -1.644 8.690 685 HB2 LEU 25 2HB LEU 25 -8.050 1.020 7.286 686 HB3 LEU 25 1HB LEU 25 -6.708 0.304 8.157 687 HG LEU 25 HG LEU 25 -8.053 -0.869 5.721 688 HD11 LEU 25 1HD1 LEU 25 -5.323 0.354 6.102 689 HD12 LEU 25 2HD1 LEU 25 -6.667 1.066 5.210 690 HD13 LEU 25 3HD1 LEU 25 -5.911 -0.418 4.629 691 HD21 LEU 25 3HD2 LEU 25 -6.293 -2.558 5.803 692 HD22 LEU 25 1HD2 LEU 25 -7.286 -2.607 7.260 693 HD23 LEU 25 2HD2 LEU 25 -5.687 -1.863 7.307 694 H MET 26 H MET 26 -9.876 1.481 9.027 695 HA MET 26 HA MET 26 -8.518 2.256 11.364 696 HB2 MET 26 2HB MET 26 -11.186 3.105 10.256 697 HB3 MET 26 1HB MET 26 -10.507 3.788 11.728 698 HG2 MET 26 2HG MET 26 -8.521 4.485 10.447 699 HG3 MET 26 1HG MET 26 -9.290 3.885 8.976 700 HE1 MET 26 3HE MET 26 -11.706 4.850 8.141 701 HE2 MET 26 1HE MET 26 -12.482 6.262 8.856 702 HE3 MET 26 2HE MET 26 -12.388 4.753 9.765 703 H GLU 27 H GLU 27 -11.411 0.286 10.904 704 HA GLU 27 HA GLU 27 -12.200 0.256 13.604 705 HB2 GLU 27 2HB GLU 27 -13.603 -0.612 11.774 706 HB3 GLU 27 1HB GLU 27 -12.479 -1.947 11.550 707 HG2 GLU 27 2HG GLU 27 -13.012 -2.837 13.704 708 HG3 GLU 27 1HG GLU 27 -13.988 -1.422 14.100 709 H ILE 28 H ILE 28 -10.069 -1.930 11.800 710 HA ILE 28 HA ILE 28 -9.300 -3.515 14.015 711 HB ILE 28 HB ILE 28 -7.749 -2.909 11.489 712 HG12 ILE 28 2HG1 ILE 28 -9.607 -5.210 12.125 713 HG13 ILE 28 1HG1 ILE 28 -9.997 -3.853 11.072 714 HG21 ILE 28 1HG2 ILE 28 -6.319 -3.831 13.215 715 HG22 ILE 28 2HG2 ILE 28 -6.589 -5.024 11.945 716 HG23 ILE 28 3HG2 ILE 28 -7.455 -5.155 13.475 717 HD11 ILE 28 3HD1 ILE 28 -9.398 -5.804 9.777 718 HD12 ILE 28 1HD1 ILE 28 -7.844 -5.905 10.605 719 HD13 ILE 28 2HD1 ILE 28 -8.197 -4.531 9.558 720 H ALA 29 H ALA 29 -8.151 -0.523 12.643 721 HA ALA 29 HA ALA 29 -5.719 -0.273 14.027 722 HB1 ALA 29 1HB ALA 29 -7.486 1.911 12.932 723 HB2 ALA 29 2HB ALA 29 -6.289 1.001 12.009 724 HB3 ALA 29 3HB ALA 29 -5.771 2.048 13.330 725 H LYS 30 H LYS 30 -9.005 0.344 15.017 726 HA LYS 30 HA LYS 30 -8.246 2.006 17.249 727 HB2 LYS 30 2HB LYS 30 -10.848 0.533 16.792 728 HB3 LYS 30 1HB LYS 30 -10.575 1.838 17.940 729 HG2 LYS 30 2HG LYS 30 -10.300 3.430 16.185 730 HG3 LYS 30 1HG LYS 30 -10.301 2.158 14.960 731 HD2 LYS 30 2HD LYS 30 -12.638 1.589 15.798 732 HD3 LYS 30 1HD LYS 30 -12.586 3.136 16.646 733 HE2 LYS 30 2HE LYS 30 -12.236 4.307 14.554 734 HE3 LYS 30 1HE LYS 30 -12.169 2.775 13.681 735 HZ1 LYS 30 3HZ LYS 30 -14.488 2.386 14.556 736 HZ2 LYS 30 1HZ LYS 30 -14.329 3.591 13.375 737 HZ3 LYS 30 2HZ LYS 30 -14.503 4.025 15.001 738 H GLU 31 H GLU 31 -9.303 -1.312 16.740 739 HA GLU 31 HA GLU 31 -9.181 -2.132 19.414 740 HB2 GLU 31 2HB GLU 31 -10.343 -3.408 17.692 741 HB3 GLU 31 1HB GLU 31 -8.817 -3.748 16.889 742 HG2 GLU 31 2HG GLU 31 -8.072 -5.058 18.776 743 HG3 GLU 31 1HG GLU 31 -9.542 -4.654 19.664 744 H LYS 32 H LYS 32 -6.716 -1.975 16.902 745 HA LYS 32 HA LYS 32 -4.755 -3.226 18.667 746 HB2 LYS 32 2HB LYS 32 -4.852 -2.623 15.750 747 HB3 LYS 32 1HB LYS 32 -3.281 -2.766 16.522 748 HG2 LYS 32 2HG LYS 32 -3.799 -4.881 15.610 749 HG3 LYS 32 1HG LYS 32 -3.999 -5.022 17.353 750 HD2 LYS 32 2HD LYS 32 -6.419 -4.814 17.103 751 HD3 LYS 32 1HD LYS 32 -6.231 -4.620 15.358 752 HE2 LYS 32 2HE LYS 32 -5.226 -6.855 15.229 753 HE3 LYS 32 1HE LYS 32 -5.434 -7.044 16.966 754 HZ1 LYS 32 3HZ LYS 32 -7.196 -8.174 15.875 755 HZ2 LYS 32 1HZ LYS 32 -7.580 -6.825 14.925 756 HZ3 LYS 32 2HZ LYS 32 -7.863 -6.793 16.595 757 H ASN 33 H ASN 33 -5.856 -0.156 18.174 758 HA ASN 33 HA ASN 33 -5.124 1.933 18.673 759 HB2 ASN 33 2HB ASN 33 -3.245 0.258 20.303 760 HB3 ASN 33 1HB ASN 33 -3.027 2.003 20.231 761 HD21 ASN 33 1HD2 ASN 33 -3.747 0.295 22.487 762 HD22 ASN 33 2HD2 ASN 33 -5.258 0.902 23.079 763 H LEU 34 H LEU 34 -4.346 0.975 16.206 764 HA LEU 34 HA LEU 34 -1.703 2.228 15.829 765 HB2 LEU 34 2HB LEU 34 -2.991 -0.047 14.315 766 HB3 LEU 34 1HB LEU 34 -1.559 0.800 13.757 767 HG LEU 34 HG LEU 34 -1.728 -0.731 16.346 768 HD11 LEU 34 1HD1 LEU 34 -0.372 -2.418 15.224 769 HD12 LEU 34 2HD1 LEU 34 -0.480 -1.506 13.719 770 HD13 LEU 34 3HD1 LEU 34 -1.930 -2.221 14.422 771 HD21 LEU 34 3HD2 LEU 34 -0.089 1.077 16.369 772 HD22 LEU 34 1HD2 LEU 34 0.615 0.457 14.875 773 HD23 LEU 34 2HD2 LEU 34 0.700 -0.500 16.354 774 H THR 35 H THR 35 -1.452 3.272 13.677 775 HA THR 35 HA THR 35 -4.028 4.094 12.506 776 HB THR 35 HB THR 35 -2.808 5.889 11.362 777 HG1 THR 35 1HG THR 35 -0.535 4.820 12.731 778 HG21 THR 35 3HG2 THR 35 -2.264 7.282 13.285 779 HG22 THR 35 1HG2 THR 35 -2.193 5.852 14.316 780 HG23 THR 35 2HG2 THR 35 -3.724 6.341 13.592 781 H LEU 36 H LEU 36 -4.247 3.949 10.224 782 HA LEU 36 HA LEU 36 -3.370 1.442 9.280 783 HB2 LEU 36 2HB LEU 36 -4.499 2.122 7.162 784 HB3 LEU 36 1HB LEU 36 -5.492 2.193 8.600 785 HG LEU 36 HG LEU 36 -4.730 4.723 8.546 786 HD11 LEU 36 1HD1 LEU 36 -3.286 4.528 6.613 787 HD12 LEU 36 2HD1 LEU 36 -4.669 5.560 6.243 788 HD13 LEU 36 3HD1 LEU 36 -4.623 3.898 5.654 789 HD21 LEU 36 3HD2 LEU 36 -7.019 3.913 8.549 790 HD22 LEU 36 1HD2 LEU 36 -6.905 3.556 6.827 791 HD23 LEU 36 2HD2 LEU 36 -6.817 5.226 7.389 792 H SER 37 H SER 37 -2.111 4.647 8.906 793 HA SER 37 HA SER 37 -0.266 4.232 6.855 794 HB2 SER 37 2HB SER 37 0.214 5.818 9.390 795 HB3 SER 37 1HB SER 37 0.966 6.073 7.818 796 HG SER 37 HG SER 37 -1.214 7.196 8.718 797 H ASP 38 H ASP 38 -0.010 3.611 10.341 798 HA ASP 38 HA ASP 38 2.595 2.512 10.307 799 HB2 ASP 38 2HB ASP 38 0.335 1.927 12.249 800 HB3 ASP 38 1HB ASP 38 2.025 1.514 12.498 801 H VAL 39 H VAL 39 -0.627 1.060 10.142 802 HA VAL 39 HA VAL 39 0.193 -1.625 10.172 803 HB VAL 39 HB VAL 39 -2.265 -0.516 8.804 804 HG11 VAL 39 1HG1 VAL 39 -1.825 -2.827 8.211 805 HG12 VAL 39 2HG1 VAL 39 -3.222 -2.731 9.285 806 HG13 VAL 39 3HG1 VAL 39 -1.660 -3.253 9.916 807 HG21 VAL 39 3HG2 VAL 39 -2.165 0.276 11.094 808 HG22 VAL 39 1HG2 VAL 39 -1.871 -1.365 11.669 809 HG23 VAL 39 2HG2 VAL 39 -3.419 -0.956 10.930 810 H CYS 40 H CYS 40 -0.076 0.698 7.552 811 HA CYS 40 HA CYS 40 0.110 -1.128 5.422 812 HB2 CYS 40 2HB CYS 40 -0.415 1.492 5.544 813 HB3 CYS 40 1HB CYS 40 1.280 1.595 5.100 814 HG CYS 40 HG CYS 40 0.178 -0.544 3.047 815 H ARG 41 H ARG 41 2.724 1.044 6.626 816 HA ARG 41 HA ARG 41 4.807 -0.322 5.392 817 HB2 ARG 41 2HB ARG 41 6.274 0.829 7.095 818 HB3 ARG 41 1HB ARG 41 5.225 1.875 6.152 819 HG2 ARG 41 2HG ARG 41 4.971 2.756 8.250 820 HG3 ARG 41 1HG ARG 41 3.614 1.629 8.187 821 HD2 ARG 41 2HD ARG 41 4.563 1.216 10.278 822 HD3 ARG 41 1HD ARG 41 5.243 -0.054 9.261 823 HE ARG 41 HE ARG 41 6.737 2.426 9.831 824 HH11 ARG 41 1HH1 ARG 41 6.540 -1.070 9.750 825 HH12 ARG 41 2HH1 ARG 41 8.146 -1.307 10.362 826 HH21 ARG 41 1HH2 ARG 41 8.840 2.132 10.600 827 HH22 ARG 41 2HH2 ARG 41 9.468 0.526 10.848 828 H LEU 42 H LEU 42 3.272 -0.973 8.514 829 HA LEU 42 HA LEU 42 5.232 -2.816 9.432 830 HB2 LEU 42 2HB LEU 42 2.312 -2.469 10.095 831 HB3 LEU 42 1HB LEU 42 3.290 -3.724 10.831 832 HG LEU 42 HG LEU 42 3.844 -0.760 11.047 833 HD11 LEU 42 1HD1 LEU 42 1.801 -1.374 12.217 834 HD12 LEU 42 2HD1 LEU 42 3.093 -0.996 13.358 835 HD13 LEU 42 3HD1 LEU 42 2.655 -2.676 13.047 836 HD21 LEU 42 3HD2 LEU 42 5.870 -2.073 11.221 837 HD22 LEU 42 1HD2 LEU 42 5.107 -3.141 12.402 838 HD23 LEU 42 2HD2 LEU 42 5.415 -1.453 12.807 839 H ALA 43 H ALA 43 2.435 -3.071 7.364 840 HA ALA 43 HA ALA 43 2.465 -5.915 7.222 841 HB1 ALA 43 1HB ALA 43 1.189 -3.925 5.363 842 HB2 ALA 43 2HB ALA 43 0.437 -4.635 6.792 843 HB3 ALA 43 3HB ALA 43 0.864 -5.658 5.419 844 H ILE 44 H ILE 44 4.231 -3.383 5.610 845 HA ILE 44 HA ILE 44 5.057 -4.945 3.375 846 HB ILE 44 HB ILE 44 6.650 -2.730 4.683 847 HG12 ILE 44 2HG1 ILE 44 4.643 -2.557 2.427 848 HG13 ILE 44 1HG1 ILE 44 4.402 -1.932 4.056 849 HG21 ILE 44 1HG2 ILE 44 7.716 -2.524 2.503 850 HG22 ILE 44 2HG2 ILE 44 6.717 -3.836 1.878 851 HG23 ILE 44 3HG2 ILE 44 7.907 -4.159 3.139 852 HD11 ILE 44 3HD1 ILE 44 4.998 -0.149 2.522 853 HD12 ILE 44 1HD1 ILE 44 6.487 -0.994 2.096 854 HD13 ILE 44 2HD1 ILE 44 6.261 -0.376 3.732 855 H LYS 45 H LYS 45 6.297 -4.378 6.612 856 HA LYS 45 HA LYS 45 8.599 -5.929 6.493 857 HB2 LYS 45 2HB LYS 45 8.162 -4.579 8.442 858 HB3 LYS 45 1HB LYS 45 6.680 -5.466 8.781 859 HG2 LYS 45 2HG LYS 45 8.190 -7.522 9.011 860 HG3 LYS 45 1HG LYS 45 9.519 -6.366 9.109 861 HD2 LYS 45 2HD LYS 45 8.636 -5.382 11.072 862 HD3 LYS 45 1HD LYS 45 7.091 -6.215 10.877 863 HE2 LYS 45 2HE LYS 45 9.757 -7.435 11.576 864 HE3 LYS 45 1HE LYS 45 8.325 -7.329 12.598 865 HZ1 LYS 45 3HZ LYS 45 7.178 -8.732 10.869 866 HZ2 LYS 45 1HZ LYS 45 8.394 -9.519 11.758 867 HZ3 LYS 45 2HZ LYS 45 8.703 -8.993 10.181 868 H GLU 46 H GLU 46 5.261 -6.875 7.259 869 HA GLU 46 HA GLU 46 5.877 -9.634 7.584 870 HB2 GLU 46 2HB GLU 46 3.469 -7.964 7.611 871 HB3 GLU 46 1HB GLU 46 3.201 -9.571 6.953 872 HG2 GLU 46 2HG GLU 46 2.723 -9.580 9.298 873 HG3 GLU 46 1HG GLU 46 4.165 -10.545 8.993 874 H TYR 47 H TYR 47 4.996 -7.606 4.896 875 HA TYR 47 HA TYR 47 4.284 -9.582 3.060 876 HB2 TYR 47 2HB TYR 47 3.917 -7.183 2.659 877 HB3 TYR 47 1HB TYR 47 5.654 -6.923 2.575 878 HD1 TYR 47 1HD TYR 47 2.725 -8.275 0.831 879 HD2 TYR 47 2HD TYR 47 6.907 -7.525 0.583 880 HE1 TYR 47 1HE TYR 47 2.646 -8.667 -1.592 881 HE2 TYR 47 2HE TYR 47 6.836 -7.917 -1.845 882 HH TYR 47 HH TYR 47 3.936 -8.073 -3.592 883 H LEU 48 H LEU 48 7.389 -8.095 3.830 884 HA LEU 48 HA LEU 48 8.953 -9.745 2.135 885 HB2 LEU 48 2HB LEU 48 9.831 -8.378 4.677 886 HB3 LEU 48 1HB LEU 48 10.858 -8.908 3.358 887 HG LEU 48 HG LEU 48 8.845 -6.662 3.260 888 HD11 LEU 48 1HD1 LEU 48 10.855 -6.111 4.513 889 HD12 LEU 48 2HD1 LEU 48 10.803 -5.238 2.980 890 HD13 LEU 48 3HD1 LEU 48 11.855 -6.642 3.162 891 HD21 LEU 48 3HD2 LEU 48 10.718 -7.673 1.124 892 HD22 LEU 48 1HD2 LEU 48 9.708 -6.231 1.013 893 HD23 LEU 48 2HD2 LEU 48 8.961 -7.825 1.120 894 H ASP 49 H ASP 49 8.009 -9.898 5.516 895 HA ASP 49 HA ASP 49 9.621 -12.045 6.296 896 HB2 ASP 49 2HB ASP 49 8.517 -10.506 7.851 897 HB3 ASP 49 1HB ASP 49 6.952 -11.181 7.414 898 H ASN 50 H ASN 50 6.495 -12.015 4.703 899 HA ASN 50 HA ASN 50 5.994 -14.810 5.094 900 HB2 ASN 50 2HB ASN 50 4.777 -12.718 3.297 901 HB3 ASN 50 1HB ASN 50 4.332 -14.414 3.152 902 HD21 ASN 50 1HD2 ASN 50 5.060 -12.636 6.097 903 HD22 ASN 50 2HD2 ASN 50 3.498 -12.813 6.804 904 H HIS 51 H HIS 51 7.614 -12.881 2.676 905 HA HIS 51 HA HIS 51 7.650 -15.117 0.800 906 HB2 HIS 51 2HB HIS 51 8.539 -12.244 0.477 907 HB3 HIS 51 1HB HIS 51 8.591 -13.459 -0.795 908 HD1 HIS 51 1HD HIS 51 7.016 -11.417 -1.865 909 HD2 HIS 51 2HD HIS 51 5.312 -13.900 1.009 910 HE1 HIS 51 1HE HIS 51 4.526 -11.143 -2.108 911 HE2 HIS 51 2HE HIS 51 3.529 -12.468 -0.208 912 H ASP 52 H ASP 52 9.927 -12.941 2.438 913 HA ASP 52 HA ASP 52 12.038 -14.947 2.107 914 HB2 ASP 52 2HB ASP 52 12.197 -12.053 1.266 915 HB3 ASP 52 1HB ASP 52 13.633 -13.011 1.607 916 H LYS 53 H LYS 53 12.189 -15.438 4.245 917 HA LYS 53 HA LYS 53 12.468 -13.324 6.217 918 HB2 LYS 53 2HB LYS 53 12.662 -16.333 6.444 919 HB3 LYS 53 1HB LYS 53 12.836 -15.230 7.802 920 HG2 LYS 53 2HG LYS 53 10.569 -14.470 7.539 921 HG3 LYS 53 1HG LYS 53 10.381 -15.439 6.076 922 HD2 LYS 53 2HD LYS 53 10.727 -17.478 7.393 923 HD3 LYS 53 1HD LYS 53 10.899 -16.501 8.852 924 HE2 LYS 53 2HE LYS 53 8.444 -16.483 7.109 925 HE3 LYS 53 1HE LYS 53 8.637 -17.534 8.511 926 HZ1 LYS 53 3HZ LYS 53 8.802 -14.566 8.621 927 HZ2 LYS 53 1HZ LYS 53 8.776 -15.641 9.932 928 HZ3 LYS 53 2HZ LYS 53 7.399 -15.456 8.962 929 H GLN 54 H GLN 54 14.415 -15.182 4.152 930 HA GLN 54 HA GLN 54 16.825 -14.862 5.751 931 HB2 GLN 54 2HB GLN 54 16.482 -16.187 3.056 932 HB3 GLN 54 1HB GLN 54 17.901 -16.278 4.092 933 HG2 GLN 54 2HG GLN 54 15.174 -17.421 4.640 934 HG3 GLN 54 1HG GLN 54 16.656 -18.311 4.293 935 HE21 GLN 54 1HE2 GLN 54 14.833 -18.376 6.595 936 HE22 GLN 54 2HE2 GLN 54 15.820 -18.057 7.988 937 H LYS 55 H LYS 55 18.149 -13.225 5.493 938 HA LYS 55 HA LYS 55 18.190 -11.827 2.909 939 HB2 LYS 55 2HB LYS 55 18.931 -9.811 4.147 940 HB3 LYS 55 1HB LYS 55 17.324 -10.343 4.621 941 HG2 LYS 55 2HG LYS 55 18.209 -11.324 6.647 942 HG3 LYS 55 1HG LYS 55 19.854 -10.916 6.156 943 HD2 LYS 55 2HD LYS 55 19.113 -9.288 7.754 944 HD3 LYS 55 1HD LYS 55 19.190 -8.516 6.170 945 HE2 LYS 55 2HE LYS 55 16.772 -8.793 5.916 946 HE3 LYS 55 1HE LYS 55 16.695 -9.581 7.493 947 HZ1 LYS 55 3HZ LYS 55 17.490 -6.766 6.957 948 HZ2 LYS 55 1HZ LYS 55 17.552 -7.508 8.480 949 HZ3 LYS 55 2HZ LYS 55 16.059 -7.289 7.705 950 H LYS 56 H LYS 56 20.088 -11.781 1.857 951 HA LYS 56 HA LYS 56 22.552 -12.371 3.322 952 HB2 LYS 56 2HB LYS 56 21.661 -14.542 2.555 953 HB3 LYS 56 1HB LYS 56 21.643 -13.941 0.903 954 HG2 LYS 56 2HG LYS 56 24.060 -13.737 0.924 955 HG3 LYS 56 1HG LYS 56 24.102 -14.266 2.610 956 HD2 LYS 56 2HD LYS 56 23.018 -15.904 0.319 957 HD3 LYS 56 1HD LYS 56 24.639 -16.074 0.998 958 HE2 LYS 56 2HE LYS 56 23.759 -16.752 3.117 959 HE3 LYS 56 1HE LYS 56 22.112 -16.366 2.617 960 HZ1 LYS 56 3HZ LYS 56 22.068 -18.166 1.141 961 HZ2 LYS 56 1HZ LYS 56 22.757 -18.786 2.559 962 HZ3 LYS 56 2HZ LYS 56 23.745 -18.411 1.231 Start of MODEL 4 1 H1 GLY 2 1HT GLY 2 -12.000 16.784 -7.532 2 H2 GLY 2 2HT GLY 2 -13.132 15.563 -7.222 3 H3 GLY 2 3HT GLY 2 -12.030 16.024 -6.015 4 HA2 GLY 2 1HA GLY 2 -13.039 18.245 -5.968 5 HA3 GLY 2 2HA GLY 2 -14.225 17.680 -7.139 6 H ARG 3 H ARG 3 -15.925 18.108 -5.657 7 HA ARG 3 HA ARG 3 -16.079 16.171 -3.438 8 HB2 ARG 3 2HB ARG 3 -16.759 19.114 -3.392 9 HB3 ARG 3 1HB ARG 3 -17.311 17.985 -2.164 10 HG2 ARG 3 2HG ARG 3 -15.132 17.601 -1.384 11 HG3 ARG 3 1HG ARG 3 -14.404 18.334 -2.816 12 HD2 ARG 3 2HD ARG 3 -14.331 19.774 -0.773 13 HD3 ARG 3 1HD ARG 3 -15.127 20.510 -2.164 14 HE ARG 3 HE ARG 3 -16.933 19.170 -0.367 15 HH11 ARG 3 1HH1 ARG 3 -15.242 22.197 -0.990 16 HH12 ARG 3 2HH1 ARG 3 -16.434 23.167 -0.173 17 HH21 ARG 3 1HH2 ARG 3 -18.499 20.469 0.683 18 HH22 ARG 3 2HH2 ARG 3 -18.278 22.186 0.761 19 HA PRO 4 HA PRO 4 -19.919 15.852 -6.027 20 HB2 PRO 4 2HB PRO 4 -19.612 12.984 -5.549 21 HB3 PRO 4 1HB PRO 4 -19.704 13.850 -7.083 22 HG2 PRO 4 2HG PRO 4 -17.430 12.676 -6.208 23 HG3 PRO 4 1HG PRO 4 -17.429 14.140 -7.208 24 HD2 PRO 4 2HD PRO 4 -17.051 13.865 -4.247 25 HD3 PRO 4 1HD PRO 4 -16.193 14.911 -5.401 26 H TYR 5 H TYR 5 -19.085 13.625 -3.395 27 HA TYR 5 HA TYR 5 -21.259 14.599 -1.759 28 HB2 TYR 5 2HB TYR 5 -22.268 12.380 -1.408 29 HB3 TYR 5 1HB TYR 5 -22.388 12.859 -3.096 30 HD1 TYR 5 1HD TYR 5 -20.527 11.931 -4.678 31 HD2 TYR 5 2HD TYR 5 -21.449 10.276 -0.869 32 HE1 TYR 5 1HE TYR 5 -19.482 9.811 -5.353 33 HE2 TYR 5 2HE TYR 5 -20.407 8.152 -1.536 34 HH TYR 5 HH TYR 5 -19.912 6.937 -3.700 35 H LYS 6 H LYS 6 -18.639 12.345 -2.283 36 HA LYS 6 HA LYS 6 -17.604 12.980 0.384 37 HB2 LYS 6 2HB LYS 6 -17.700 10.245 -0.911 38 HB3 LYS 6 1HB LYS 6 -16.675 10.630 0.465 39 HG2 LYS 6 2HG LYS 6 -19.681 10.773 0.411 40 HG3 LYS 6 1HG LYS 6 -18.704 9.501 1.144 41 HD2 LYS 6 2HD LYS 6 -18.491 12.389 1.958 42 HD3 LYS 6 1HD LYS 6 -19.608 11.260 2.725 43 HE2 LYS 6 2HE LYS 6 -17.753 9.834 3.374 44 HE3 LYS 6 1HE LYS 6 -16.618 10.906 2.554 45 HZ1 LYS 6 3HZ LYS 6 -17.011 12.605 4.112 46 HZ2 LYS 6 1HZ LYS 6 -16.818 11.187 5.030 47 HZ3 LYS 6 2HZ LYS 6 -18.370 11.823 4.765 48 H LEU 7 H LEU 7 -15.203 11.809 0.269 49 HA LEU 7 HA LEU 7 -13.961 13.494 -1.756 50 HB2 LEU 7 2HB LEU 7 -12.777 12.034 0.603 51 HB3 LEU 7 1HB LEU 7 -11.876 13.081 -0.477 52 HG LEU 7 HG LEU 7 -14.157 13.948 1.304 53 HD11 LEU 7 1HD1 LEU 7 -12.417 15.162 2.535 54 HD12 LEU 7 2HD1 LEU 7 -11.188 14.419 1.513 55 HD13 LEU 7 3HD1 LEU 7 -12.168 13.416 2.583 56 HD21 LEU 7 3HD2 LEU 7 -14.088 15.276 -0.720 57 HD22 LEU 7 1HD2 LEU 7 -12.356 15.540 -0.518 58 HD23 LEU 7 2HD2 LEU 7 -13.493 16.224 0.644 59 H LEU 8 H LEU 8 -14.830 11.805 -3.313 60 HA LEU 8 HA LEU 8 -14.371 10.310 -4.954 61 HB2 LEU 8 2HB LEU 8 -11.535 10.931 -4.141 62 HB3 LEU 8 1HB LEU 8 -12.001 10.120 -5.625 63 HG LEU 8 HG LEU 8 -12.724 12.956 -4.866 64 HD11 LEU 8 1HD1 LEU 8 -11.230 13.558 -6.727 65 HD12 LEU 8 2HD1 LEU 8 -10.775 11.862 -6.894 66 HD13 LEU 8 3HD1 LEU 8 -10.374 12.741 -5.419 67 HD21 LEU 8 3HD2 LEU 8 -13.595 13.119 -7.140 68 HD22 LEU 8 1HD2 LEU 8 -14.459 11.893 -6.215 69 HD23 LEU 8 2HD2 LEU 8 -13.249 11.409 -7.402 70 H ASN 9 H ASN 9 -14.642 9.261 -2.179 71 HA ASN 9 HA ASN 9 -14.611 7.260 -1.103 72 HB2 ASN 9 2HB ASN 9 -15.470 6.595 -3.416 73 HB3 ASN 9 1HB ASN 9 -13.841 6.027 -3.756 74 HD21 ASN 9 1HD2 ASN 9 -16.783 5.433 -2.035 75 HD22 ASN 9 2HD2 ASN 9 -16.390 3.833 -1.499 76 H GLY 10 H GLY 10 -12.089 8.823 -1.283 77 HA2 GLY 10 2HA GLY 10 -10.348 6.755 -0.260 78 HA3 GLY 10 1HA GLY 10 -9.804 7.446 -1.780 79 H ILE 11 H ILE 11 -8.633 7.513 0.932 80 HA ILE 11 HA ILE 11 -8.418 10.440 1.190 81 HB ILE 11 HB ILE 11 -8.504 8.551 3.550 82 HG12 ILE 11 2HG1 ILE 11 -10.729 8.745 2.471 83 HG13 ILE 11 1HG1 ILE 11 -10.695 9.427 4.093 84 HG21 ILE 11 1HG2 ILE 11 -7.151 10.533 3.942 85 HG22 ILE 11 2HG2 ILE 11 -8.630 10.590 4.901 86 HG23 ILE 11 3HG2 ILE 11 -8.492 11.563 3.437 87 HD11 ILE 11 3HD1 ILE 11 -11.968 10.834 2.593 88 HD12 ILE 11 1HD1 ILE 11 -10.583 10.962 1.509 89 HD13 ILE 11 2HD1 ILE 11 -10.505 11.669 3.122 90 H LYS 12 H LYS 12 -6.368 11.177 1.889 91 HA LYS 12 HA LYS 12 -4.252 9.258 1.190 92 HB2 LYS 12 2HB LYS 12 -4.636 11.373 -0.136 93 HB3 LYS 12 1HB LYS 12 -4.128 12.280 1.277 94 HG2 LYS 12 2HG LYS 12 -2.311 10.199 0.170 95 HG3 LYS 12 1HG LYS 12 -2.467 11.741 -0.671 96 HD2 LYS 12 2HD LYS 12 -2.042 12.777 1.665 97 HD3 LYS 12 1HD LYS 12 -1.417 11.177 2.077 98 HE2 LYS 12 2HE LYS 12 0.390 12.631 1.347 99 HE3 LYS 12 1HE LYS 12 0.151 11.321 0.190 100 HZ1 LYS 12 3HZ LYS 12 0.467 13.580 -0.801 101 HZ2 LYS 12 1HZ LYS 12 -1.033 14.021 -0.148 102 HZ3 LYS 12 2HZ LYS 12 -0.941 12.781 -1.301 103 H LEU 13 H LEU 13 -2.478 8.927 2.498 104 HA LEU 13 HA LEU 13 -2.647 10.068 5.207 105 HB2 LEU 13 2HB LEU 13 -1.961 7.776 6.028 106 HB3 LEU 13 1HB LEU 13 -3.604 7.941 5.446 107 HG LEU 13 HG LEU 13 -1.526 6.948 3.544 108 HD11 LEU 13 1HD1 LEU 13 -1.127 5.623 5.544 109 HD12 LEU 13 2HD1 LEU 13 -1.918 4.651 4.302 110 HD13 LEU 13 3HD1 LEU 13 -2.850 5.267 5.668 111 HD21 LEU 13 3HD2 LEU 13 -3.447 5.670 2.693 112 HD22 LEU 13 1HD2 LEU 13 -3.790 7.402 2.741 113 HD23 LEU 13 2HD2 LEU 13 -4.453 6.334 3.980 114 H GLY 14 H GLY 14 -0.733 10.099 6.426 115 HA2 GLY 14 2HA GLY 14 1.707 10.080 4.787 116 HA3 GLY 14 1HA GLY 14 1.475 11.004 6.264 117 H VAL 15 H VAL 15 3.040 8.427 5.018 118 HA VAL 15 HA VAL 15 2.981 6.911 7.554 119 HB VAL 15 HB VAL 15 3.900 5.876 4.862 120 HG11 VAL 15 1HG1 VAL 15 3.604 3.672 5.882 121 HG12 VAL 15 2HG1 VAL 15 3.147 4.441 7.401 122 HG13 VAL 15 3HG1 VAL 15 4.779 4.647 6.764 123 HG21 VAL 15 3HG2 VAL 15 1.751 4.740 4.668 124 HG22 VAL 15 1HG2 VAL 15 1.545 6.491 4.716 125 HG23 VAL 15 2HG2 VAL 15 1.201 5.523 6.149 126 H TYR 16 H TYR 16 5.085 5.958 8.214 127 HA TYR 16 HA TYR 16 7.444 7.270 7.072 128 HB2 TYR 16 2HB TYR 16 6.631 7.234 9.952 129 HB3 TYR 16 1HB TYR 16 8.335 7.222 9.525 130 HD1 TYR 16 1HD TYR 16 9.366 9.111 8.461 131 HD2 TYR 16 2HD TYR 16 5.279 9.228 9.615 132 HE1 TYR 16 1HE TYR 16 9.387 11.545 8.230 133 HE2 TYR 16 2HE TYR 16 5.280 11.675 9.389 134 HH TYR 16 HH TYR 16 7.745 13.387 7.840 135 H ILE 17 H ILE 17 9.236 6.071 6.992 136 HA ILE 17 HA ILE 17 9.646 3.800 8.696 137 HB ILE 17 HB ILE 17 10.389 2.397 6.617 138 HG12 ILE 17 2HG1 ILE 17 8.171 4.076 5.430 139 HG13 ILE 17 1HG1 ILE 17 9.852 4.041 4.901 140 HG21 ILE 17 1HG2 ILE 17 8.226 1.232 6.627 141 HG22 ILE 17 2HG2 ILE 17 7.520 2.592 7.503 142 HG23 ILE 17 3HG2 ILE 17 8.798 1.630 8.246 143 HD11 ILE 17 3HD1 ILE 17 8.441 2.735 3.417 144 HD12 ILE 17 1HD1 ILE 17 7.910 1.738 4.773 145 HD13 ILE 17 2HD1 ILE 17 9.595 1.695 4.255 146 HA PRO 18 HA PRO 18 13.764 5.145 8.840 147 HB2 PRO 18 2HB PRO 18 14.532 2.337 8.178 148 HB3 PRO 18 1HB PRO 18 15.100 3.379 9.487 149 HG2 PRO 18 2HG PRO 18 13.328 1.470 9.976 150 HG3 PRO 18 1HG PRO 18 13.177 3.058 10.753 151 HD2 PRO 18 2HD PRO 18 11.617 1.888 8.498 152 HD3 PRO 18 1HD PRO 18 11.088 2.986 9.789 153 H GLN 19 H GLN 19 15.800 5.374 7.705 154 HA GLN 19 HA GLN 19 15.567 5.958 4.996 155 HB2 GLN 19 2HB GLN 19 18.062 6.080 4.997 156 HB3 GLN 19 1HB GLN 19 17.303 6.987 6.298 157 HG2 GLN 19 2HG GLN 19 17.883 5.306 7.897 158 HG3 GLN 19 1HG GLN 19 18.453 4.227 6.625 159 HE21 GLN 19 1HE2 GLN 19 19.761 6.353 5.133 160 HE22 GLN 19 2HE2 GLN 19 21.203 6.745 6.022 161 H GLU 20 H GLU 20 16.877 3.085 6.584 162 HA GLU 20 HA GLU 20 17.814 1.680 4.375 163 HB2 GLU 20 2HB GLU 20 16.509 0.578 6.869 164 HB3 GLU 20 1HB GLU 20 17.526 -0.329 5.758 165 HG2 GLU 20 2HG GLU 20 19.435 0.996 6.329 166 HG3 GLU 20 1HG GLU 20 18.443 2.074 7.312 167 H TRP 21 H TRP 21 14.572 2.266 5.421 168 HA TRP 21 HA TRP 21 13.411 0.094 3.938 169 HB2 TRP 21 2HB TRP 21 12.436 2.294 5.668 170 HB3 TRP 21 1HB TRP 21 11.318 1.708 4.442 171 HD1 TRP 21 HD TRP 21 12.933 0.701 7.739 172 HE1 TRP 21 1HE TRP 21 11.769 -1.435 8.597 173 HE3 TRP 21 3HE TRP 21 10.198 -0.436 3.588 174 HZ2 TRP 21 2HZ TRP 21 9.934 -3.347 7.620 175 HZ3 TRP 21 3HZ TRP 21 8.767 -2.432 3.623 176 HH2 TRP 21 HH TRP 21 8.635 -3.846 5.596 177 H HIS 22 H HIS 22 13.663 3.612 3.598 178 HA HIS 22 HA HIS 22 12.213 3.732 1.171 179 HB2 HIS 22 2HB HIS 22 14.067 5.620 2.578 180 HB3 HIS 22 1HB HIS 22 13.583 5.955 0.915 181 HD1 HIS 22 1HD HIS 22 11.481 7.217 0.648 182 HD2 HIS 22 2HD HIS 22 11.691 5.307 4.340 183 HE1 HIS 22 1HE HIS 22 9.456 7.984 1.924 184 HE2 HIS 22 2HE HIS 22 9.697 6.952 4.212 185 H ASP 23 H ASP 23 15.663 3.466 1.899 186 HA ASP 23 HA ASP 23 16.655 3.691 -0.699 187 HB2 ASP 23 2HB ASP 23 18.103 3.758 1.252 188 HB3 ASP 23 1HB ASP 23 17.707 2.089 1.642 189 H ARG 24 H ARG 24 15.676 0.775 1.098 190 HA ARG 24 HA ARG 24 16.331 -0.977 -1.072 191 HB2 ARG 24 2HB ARG 24 14.944 -1.331 1.567 192 HB3 ARG 24 1HB ARG 24 14.909 -2.619 0.376 193 HG2 ARG 24 2HG ARG 24 16.672 -2.894 2.085 194 HG3 ARG 24 1HG ARG 24 17.301 -2.825 0.440 195 HD2 ARG 24 2HD ARG 24 18.374 -0.868 0.791 196 HD3 ARG 24 1HD ARG 24 17.133 -0.260 1.885 197 HE ARG 24 HE ARG 24 18.356 -2.277 3.278 198 HH11 ARG 24 1HH1 ARG 24 19.470 0.632 1.677 199 HH12 ARG 24 2HH1 ARG 24 20.730 0.931 2.835 200 HH21 ARG 24 1HH2 ARG 24 20.018 -1.895 4.792 201 HH22 ARG 24 2HH2 ARG 24 21.049 -0.503 4.607 202 H LEU 25 H LEU 25 13.325 0.409 0.213 203 HA LEU 25 HA LEU 25 11.622 -1.009 -1.535 204 HB2 LEU 25 2HB LEU 25 11.265 1.507 0.051 205 HB3 LEU 25 1HB LEU 25 10.029 0.974 -1.075 206 HG LEU 25 HG LEU 25 11.005 -0.470 1.385 207 HD11 LEU 25 1HD1 LEU 25 9.420 1.325 1.797 208 HD12 LEU 25 2HD1 LEU 25 8.669 -0.247 2.082 209 HD13 LEU 25 3HD1 LEU 25 8.317 0.644 0.602 210 HD21 LEU 25 3HD2 LEU 25 10.667 -2.093 -0.404 211 HD22 LEU 25 1HD2 LEU 25 9.063 -1.429 -0.718 212 HD23 LEU 25 2HD2 LEU 25 9.402 -2.229 0.817 213 H MET 26 H MET 26 13.399 2.012 -1.902 214 HA MET 26 HA MET 26 12.137 2.865 -4.272 215 HB2 MET 26 2HB MET 26 14.875 3.367 -3.140 216 HB3 MET 26 1HB MET 26 14.424 3.985 -4.720 217 HG2 MET 26 2HG MET 26 12.785 4.560 -2.281 218 HG3 MET 26 1HG MET 26 14.191 5.529 -2.701 219 HE1 MET 26 3HE MET 26 10.471 4.604 -3.603 220 HE2 MET 26 1HE MET 26 11.345 3.876 -4.953 221 HE3 MET 26 2HE MET 26 10.315 5.282 -5.224 222 H GLU 27 H GLU 27 14.972 0.786 -3.743 223 HA GLU 27 HA GLU 27 15.501 0.438 -6.507 224 HB2 GLU 27 2HB GLU 27 16.985 -0.028 -4.400 225 HB3 GLU 27 1HB GLU 27 16.237 -1.620 -4.454 226 HG2 GLU 27 2HG GLU 27 18.395 -1.564 -5.598 227 HG3 GLU 27 1HG GLU 27 17.073 -1.977 -6.692 228 H ILE 28 H ILE 28 13.752 -1.531 -4.131 229 HA ILE 28 HA ILE 28 13.023 -3.609 -5.893 230 HB ILE 28 HB ILE 28 11.613 -2.617 -3.407 231 HG12 ILE 28 2HG1 ILE 28 13.486 -4.960 -3.812 232 HG13 ILE 28 1HG1 ILE 28 13.949 -3.417 -3.103 233 HG21 ILE 28 1HG2 ILE 28 10.084 -3.894 -4.823 234 HG22 ILE 28 2HG2 ILE 28 10.493 -4.784 -3.356 235 HG23 ILE 28 3HG2 ILE 28 11.247 -5.216 -4.889 236 HD11 ILE 28 3HD1 ILE 28 13.560 -5.113 -1.398 237 HD12 ILE 28 1HD1 ILE 28 11.908 -5.324 -1.979 238 HD13 ILE 28 2HD1 ILE 28 12.399 -3.791 -1.260 239 H ALA 29 H ALA 29 11.489 -0.535 -5.118 240 HA ALA 29 HA ALA 29 9.052 -0.963 -6.478 241 HB1 ALA 29 1HB ALA 29 9.349 0.803 -4.816 242 HB2 ALA 29 2HB ALA 29 8.767 1.453 -6.349 243 HB3 ALA 29 3HB ALA 29 10.462 1.639 -5.898 244 H LYS 30 H LYS 30 12.224 -0.094 -7.527 245 HA LYS 30 HA LYS 30 11.458 0.978 -10.063 246 HB2 LYS 30 2HB LYS 30 13.601 1.511 -8.967 247 HB3 LYS 30 1HB LYS 30 14.089 -0.174 -9.122 248 HG2 LYS 30 2HG LYS 30 13.876 0.112 -11.614 249 HG3 LYS 30 1HG LYS 30 13.695 1.843 -11.316 250 HD2 LYS 30 2HD LYS 30 16.039 0.147 -10.458 251 HD3 LYS 30 1HD LYS 30 16.017 1.241 -11.843 252 HE2 LYS 30 2HE LYS 30 15.730 3.139 -10.405 253 HE3 LYS 30 1HE LYS 30 15.532 2.098 -8.994 254 HZ1 LYS 30 3HZ LYS 30 17.760 3.074 -9.158 255 HZ2 LYS 30 1HZ LYS 30 18.000 2.280 -10.634 256 HZ3 LYS 30 2HZ LYS 30 17.799 1.377 -9.209 257 H GLU 31 H GLU 31 12.502 -2.141 -8.838 258 HA GLU 31 HA GLU 31 12.703 -3.507 -11.282 259 HB2 GLU 31 2HB GLU 31 11.915 -4.677 -8.609 260 HB3 GLU 31 1HB GLU 31 12.596 -5.548 -9.976 261 HG2 GLU 31 2HG GLU 31 14.644 -4.136 -9.746 262 HG3 GLU 31 1HG GLU 31 13.958 -3.499 -8.251 263 H LYS 32 H LYS 32 9.956 -2.926 -9.143 264 HA LYS 32 HA LYS 32 8.261 -4.647 -10.785 265 HB2 LYS 32 2HB LYS 32 7.870 -3.351 -8.097 266 HB3 LYS 32 1HB LYS 32 6.528 -4.063 -8.977 267 HG2 LYS 32 2HG LYS 32 7.294 -5.647 -7.376 268 HG3 LYS 32 1HG LYS 32 7.758 -6.230 -8.972 269 HD2 LYS 32 2HD LYS 32 10.021 -5.647 -8.633 270 HD3 LYS 32 1HD LYS 32 9.639 -4.664 -7.221 271 HE2 LYS 32 2HE LYS 32 10.665 -6.778 -6.576 272 HE3 LYS 32 1HE LYS 32 9.008 -6.669 -5.985 273 HZ1 LYS 32 3HZ LYS 32 9.879 -8.154 -8.406 274 HZ2 LYS 32 1HZ LYS 32 8.294 -8.074 -7.803 275 HZ3 LYS 32 2HZ LYS 32 9.502 -8.848 -6.902 276 H ASN 33 H ASN 33 9.157 -1.476 -10.776 277 HA ASN 33 HA ASN 33 8.392 0.444 -11.706 278 HB2 ASN 33 2HB ASN 33 7.915 -1.193 -13.610 279 HB3 ASN 33 1HB ASN 33 6.242 -1.181 -13.065 280 HD21 ASN 33 1HD2 ASN 33 8.802 0.668 -14.509 281 HD22 ASN 33 2HD2 ASN 33 7.799 1.946 -15.125 282 H LEU 34 H LEU 34 7.686 0.210 -9.244 283 HA LEU 34 HA LEU 34 4.929 1.209 -9.054 284 HB2 LEU 34 2HB LEU 34 6.229 -0.796 -7.193 285 HB3 LEU 34 1HB LEU 34 4.686 -0.012 -6.903 286 HG LEU 34 HG LEU 34 5.259 -1.869 -9.215 287 HD11 LEU 34 1HD1 LEU 34 3.884 -3.479 -7.992 288 HD12 LEU 34 2HD1 LEU 34 3.779 -2.360 -6.633 289 HD13 LEU 34 3HD1 LEU 34 5.337 -3.053 -7.088 290 HD21 LEU 34 3HD2 LEU 34 3.514 -0.213 -9.663 291 HD22 LEU 34 1HD2 LEU 34 2.675 -0.699 -8.191 292 HD23 LEU 34 2HD2 LEU 34 2.846 -1.839 -9.525 293 H THR 35 H THR 35 4.632 2.451 -6.961 294 HA THR 35 HA THR 35 7.192 3.559 -6.025 295 HB THR 35 HB THR 35 5.924 5.382 -5.029 296 HG1 THR 35 1HG THR 35 3.560 4.216 -6.118 297 HG21 THR 35 3HG2 THR 35 6.513 5.628 -7.398 298 HG22 THR 35 1HG2 THR 35 4.980 6.424 -7.037 299 HG23 THR 35 2HG2 THR 35 4.992 4.864 -7.857 300 H LEU 36 H LEU 36 7.359 3.882 -3.621 301 HA LEU 36 HA LEU 36 6.890 1.491 -2.247 302 HB2 LEU 36 2HB LEU 36 7.613 2.616 -0.244 303 HB3 LEU 36 1HB LEU 36 8.643 3.053 -1.587 304 HG LEU 36 HG LEU 36 6.443 4.827 -0.516 305 HD11 LEU 36 1HD1 LEU 36 8.237 6.075 0.581 306 HD12 LEU 36 2HD1 LEU 36 9.405 4.863 0.053 307 HD13 LEU 36 3HD1 LEU 36 8.134 4.425 1.195 308 HD21 LEU 36 3HD2 LEU 36 8.740 5.316 -2.411 309 HD22 LEU 36 1HD2 LEU 36 7.741 6.588 -1.704 310 HD23 LEU 36 2HD2 LEU 36 7.017 5.396 -2.780 311 H SER 37 H SER 37 5.026 4.471 -2.364 312 HA SER 37 HA SER 37 3.053 3.870 -0.498 313 HB2 SER 37 2HB SER 37 2.616 5.276 -3.143 314 HB3 SER 37 1HB SER 37 1.693 5.486 -1.654 315 HG SER 37 HG SER 37 3.058 7.097 -1.426 316 H ASP 38 H ASP 38 3.282 2.991 -3.926 317 HA ASP 38 HA ASP 38 0.811 1.637 -4.094 318 HB2 ASP 38 2HB ASP 38 3.344 1.340 -5.712 319 HB3 ASP 38 1HB ASP 38 1.853 0.484 -6.086 320 H VAL 39 H VAL 39 4.107 0.484 -3.518 321 HA VAL 39 HA VAL 39 3.493 -2.252 -3.365 322 HB VAL 39 HB VAL 39 5.729 -0.772 -1.961 323 HG11 VAL 39 1HG1 VAL 39 5.437 -2.988 -1.034 324 HG12 VAL 39 2HG1 VAL 39 6.897 -2.945 -2.025 325 HG13 VAL 39 3HG1 VAL 39 5.428 -3.693 -2.651 326 HG21 VAL 39 3HG2 VAL 39 7.098 -1.413 -3.894 327 HG22 VAL 39 1HG2 VAL 39 5.765 -0.354 -4.355 328 HG23 VAL 39 2HG2 VAL 39 5.668 -2.085 -4.675 329 H CYS 40 H CYS 40 3.380 0.309 -0.975 330 HA CYS 40 HA CYS 40 3.123 -1.400 1.271 331 HB2 CYS 40 2HB CYS 40 3.768 1.173 1.030 332 HB3 CYS 40 1HB CYS 40 2.050 1.394 1.335 333 HG CYS 40 HG CYS 40 2.831 -0.616 3.625 334 H ARG 41 H ARG 41 0.621 0.599 -0.381 335 HA ARG 41 HA ARG 41 -1.561 -0.526 0.877 336 HB2 ARG 41 2HB ARG 41 -2.895 0.309 -0.987 337 HB3 ARG 41 1HB ARG 41 -1.697 1.493 -0.497 338 HG2 ARG 41 2HG ARG 41 -1.496 1.656 -2.748 339 HG3 ARG 41 1HG ARG 41 -0.313 0.380 -2.452 340 HD2 ARG 41 2HD ARG 41 -1.674 -0.280 -4.317 341 HD3 ARG 41 1HD ARG 41 -2.094 -1.294 -2.935 342 HE ARG 41 HE ARG 41 -3.727 1.077 -3.521 343 HH11 ARG 41 1HH1 ARG 41 -3.412 -2.417 -3.401 344 HH12 ARG 41 2HH1 ARG 41 -5.112 -2.709 -3.578 345 HH21 ARG 41 1HH2 ARG 41 -5.966 0.694 -3.757 346 HH22 ARG 41 2HH2 ARG 41 -6.568 -0.943 -3.772 347 H LEU 42 H LEU 42 0.185 -1.707 -1.986 348 HA LEU 42 HA LEU 42 -1.576 -3.865 -2.534 349 HB2 LEU 42 2HB LEU 42 1.376 -3.575 -3.119 350 HB3 LEU 42 1HB LEU 42 0.354 -4.841 -3.767 351 HG LEU 42 HG LEU 42 -0.011 -1.894 -4.302 352 HD11 LEU 42 1HD1 LEU 42 2.039 -2.731 -5.315 353 HD12 LEU 42 2HD1 LEU 42 0.820 -2.414 -6.549 354 HD13 LEU 42 3HD1 LEU 42 1.151 -4.070 -6.041 355 HD21 LEU 42 3HD2 LEU 42 -1.554 -2.676 -6.056 356 HD22 LEU 42 1HD2 LEU 42 -2.097 -3.117 -4.437 357 HD23 LEU 42 2HD2 LEU 42 -1.349 -4.329 -5.475 358 H ALA 43 H ALA 43 1.039 -3.371 -0.326 359 HA ALA 43 HA ALA 43 1.412 -6.065 0.419 360 HB1 ALA 43 1HB ALA 43 2.668 -5.198 2.296 361 HB2 ALA 43 2HB ALA 43 2.039 -3.580 1.985 362 HB3 ALA 43 3HB ALA 43 3.107 -4.351 0.812 363 H ILE 44 H ILE 44 -0.834 -3.580 1.333 364 HA ILE 44 HA ILE 44 -1.740 -4.769 3.745 365 HB ILE 44 HB ILE 44 -3.129 -2.829 1.890 366 HG12 ILE 44 2HG1 ILE 44 -1.634 -2.483 4.495 367 HG13 ILE 44 1HG1 ILE 44 -1.161 -1.877 2.910 368 HG21 ILE 44 1HG2 ILE 44 -4.791 -4.078 3.148 369 HG22 ILE 44 2HG2 ILE 44 -4.693 -2.418 3.737 370 HG23 ILE 44 3HG2 ILE 44 -3.945 -3.726 4.654 371 HD11 ILE 44 3HD1 ILE 44 -2.048 -0.090 4.282 372 HD12 ILE 44 1HD1 ILE 44 -3.557 -0.980 4.499 373 HD13 ILE 44 2HD1 ILE 44 -3.101 -0.391 2.902 374 H LYS 45 H LYS 45 -2.738 -4.958 0.359 375 HA LYS 45 HA LYS 45 -4.944 -6.640 0.721 376 HB2 LYS 45 2HB LYS 45 -4.319 -5.512 -1.424 377 HB3 LYS 45 1HB LYS 45 -3.036 -6.695 -1.621 378 HG2 LYS 45 2HG LYS 45 -5.037 -7.231 -2.941 379 HG3 LYS 45 1HG LYS 45 -4.648 -8.488 -1.763 380 HD2 LYS 45 2HD LYS 45 -6.352 -7.624 -0.255 381 HD3 LYS 45 1HD LYS 45 -6.716 -6.321 -1.386 382 HE2 LYS 45 2HE LYS 45 -8.362 -8.114 -1.548 383 HE3 LYS 45 1HE LYS 45 -7.446 -7.953 -3.045 384 HZ1 LYS 45 3HZ LYS 45 -7.801 -10.275 -2.294 385 HZ2 LYS 45 1HZ LYS 45 -6.828 -9.963 -0.941 386 HZ3 LYS 45 2HZ LYS 45 -6.169 -9.872 -2.502 387 H GLU 46 H GLU 46 -1.507 -7.348 0.441 388 HA GLU 46 HA GLU 46 -1.738 -10.185 0.480 389 HB2 GLU 46 2HB GLU 46 0.271 -8.948 -0.309 390 HB3 GLU 46 1HB GLU 46 0.563 -8.410 1.336 391 HG2 GLU 46 2HG GLU 46 2.036 -10.167 1.065 392 HG3 GLU 46 1HG GLU 46 0.682 -10.903 1.919 393 H TYR 47 H TYR 47 -1.400 -7.666 2.864 394 HA TYR 47 HA TYR 47 -0.895 -9.215 5.134 395 HB2 TYR 47 2HB TYR 47 -0.539 -6.796 5.034 396 HB3 TYR 47 1HB TYR 47 -2.265 -6.532 4.847 397 HD1 TYR 47 1HD TYR 47 0.395 -7.478 7.194 398 HD2 TYR 47 2HD TYR 47 -3.735 -6.576 6.751 399 HE1 TYR 47 1HE TYR 47 0.198 -7.236 9.632 400 HE2 TYR 47 2HE TYR 47 -3.950 -6.335 9.188 401 HH TYR 47 HH TYR 47 -1.232 -6.157 11.264 402 H LEU 48 H LEU 48 -3.914 -8.006 3.744 403 HA LEU 48 HA LEU 48 -5.630 -9.041 5.730 404 HB2 LEU 48 2HB LEU 48 -6.209 -8.454 2.824 405 HB3 LEU 48 1HB LEU 48 -7.418 -8.716 4.067 406 HG LEU 48 HG LEU 48 -5.459 -6.418 3.966 407 HD11 LEU 48 1HD1 LEU 48 -7.214 -6.274 2.274 408 HD12 LEU 48 2HD1 LEU 48 -7.420 -5.049 3.526 409 HD13 LEU 48 3HD1 LEU 48 -8.440 -6.488 3.522 410 HD21 LEU 48 3HD2 LEU 48 -5.971 -7.068 6.263 411 HD22 LEU 48 1HD2 LEU 48 -7.696 -6.989 5.911 412 HD23 LEU 48 2HD2 LEU 48 -6.718 -5.521 5.858 413 H ASP 49 H ASP 49 -4.705 -10.292 2.537 414 HA ASP 49 HA ASP 49 -6.314 -12.574 2.574 415 HB2 ASP 49 2HB ASP 49 -3.872 -11.768 1.062 416 HB3 ASP 49 1HB ASP 49 -4.438 -13.429 0.936 417 H ASN 50 H ASN 50 -3.118 -12.052 3.930 418 HA ASN 50 HA ASN 50 -2.772 -14.862 4.518 419 HB2 ASN 50 2HB ASN 50 -1.127 -12.409 5.065 420 HB3 ASN 50 1HB ASN 50 -0.756 -13.934 5.863 421 HD21 ASN 50 1HD2 ASN 50 -0.856 -12.226 2.848 422 HD22 ASN 50 2HD2 ASN 50 0.072 -13.363 1.928 423 H HIS 51 H HIS 51 -4.212 -12.165 6.082 424 HA HIS 51 HA HIS 51 -3.991 -13.429 8.709 425 HB2 HIS 51 2HB HIS 51 -4.814 -10.688 7.807 426 HB3 HIS 51 1HB HIS 51 -5.274 -11.268 9.404 427 HD1 HIS 51 1HD HIS 51 -3.761 -10.134 11.003 428 HD2 HIS 51 2HD HIS 51 -1.722 -11.508 7.642 429 HE1 HIS 51 1HE HIS 51 -1.329 -9.663 11.439 430 HE2 HIS 51 2HE HIS 51 -0.110 -10.435 9.367 431 H ASP 52 H ASP 52 -6.278 -12.903 6.165 432 HA ASP 52 HA ASP 52 -8.547 -13.648 7.836 433 HB2 ASP 52 2HB ASP 52 -8.860 -11.884 6.156 434 HB3 ASP 52 1HB ASP 52 -8.377 -12.997 4.879 435 H LYS 53 H LYS 53 -9.649 -15.571 7.684 436 HA LYS 53 HA LYS 53 -8.020 -17.769 6.737 437 HB2 LYS 53 2HB LYS 53 -10.569 -17.692 8.346 438 HB3 LYS 53 1HB LYS 53 -9.731 -19.173 7.909 439 HG2 LYS 53 2HG LYS 53 -7.757 -18.422 9.148 440 HG3 LYS 53 1HG LYS 53 -8.607 -16.940 9.586 441 HD2 LYS 53 2HD LYS 53 -10.242 -18.185 10.841 442 HD3 LYS 53 1HD LYS 53 -9.555 -19.716 10.293 443 HE2 LYS 53 2HE LYS 53 -8.085 -17.668 11.948 444 HE3 LYS 53 1HE LYS 53 -8.881 -19.100 12.600 445 HZ1 LYS 53 3HZ LYS 53 -6.736 -19.208 10.550 446 HZ2 LYS 53 1HZ LYS 53 -7.392 -20.505 11.426 447 HZ3 LYS 53 2HZ LYS 53 -6.444 -19.338 12.212 448 H GLN 54 H GLN 54 -10.692 -16.009 5.575 449 HA GLN 54 HA GLN 54 -11.771 -18.241 4.038 450 HB2 GLN 54 2HB GLN 54 -12.634 -15.387 4.448 451 HB3 GLN 54 1HB GLN 54 -13.315 -16.358 3.155 452 HG2 GLN 54 2HG GLN 54 -14.814 -16.436 4.987 453 HG3 GLN 54 1HG GLN 54 -14.040 -18.012 4.864 454 HE21 GLN 54 1HE2 GLN 54 -12.692 -18.710 6.493 455 HE22 GLN 54 2HE2 GLN 54 -12.587 -17.893 8.023 456 H LYS 55 H LYS 55 -9.114 -17.551 3.431 457 HA LYS 55 HA LYS 55 -9.459 -16.561 0.683 458 HB2 LYS 55 2HB LYS 55 -7.126 -15.996 2.525 459 HB3 LYS 55 1HB LYS 55 -7.190 -15.564 0.823 460 HG2 LYS 55 2HG LYS 55 -9.110 -14.557 2.914 461 HG3 LYS 55 1HG LYS 55 -7.692 -13.680 2.334 462 HD2 LYS 55 2HD LYS 55 -8.590 -13.462 0.163 463 HD3 LYS 55 1HD LYS 55 -9.848 -14.656 0.479 464 HE2 LYS 55 2HE LYS 55 -9.638 -12.005 1.894 465 HE3 LYS 55 1HE LYS 55 -10.641 -12.287 0.472 466 HZ1 LYS 55 3HZ LYS 55 -11.841 -13.986 1.716 467 HZ2 LYS 55 1HZ LYS 55 -11.936 -12.483 2.488 468 HZ3 LYS 55 2HZ LYS 55 -10.898 -13.676 3.093 469 H LYS 56 H LYS 56 -6.590 -17.784 2.330 470 HA LYS 56 HA LYS 56 -5.144 -19.452 1.847 471 HB2 LYS 56 2HB LYS 56 -7.678 -20.948 1.164 472 HB3 LYS 56 1HB LYS 56 -6.105 -21.683 1.435 473 HG2 LYS 56 2HG LYS 56 -6.147 -20.712 3.742 474 HG3 LYS 56 1HG LYS 56 -7.818 -20.233 3.439 475 HD2 LYS 56 2HD LYS 56 -8.341 -22.621 2.958 476 HD3 LYS 56 1HD LYS 56 -6.694 -23.033 3.438 477 HE2 LYS 56 2HE LYS 56 -8.121 -23.419 5.313 478 HE3 LYS 56 1HE LYS 56 -7.156 -21.984 5.654 479 HZ1 LYS 56 3HZ LYS 56 -9.955 -21.965 4.659 480 HZ2 LYS 56 1HZ LYS 56 -9.029 -20.601 5.055 481 HZ3 LYS 56 2HZ LYS 56 -9.490 -21.691 6.265 482 H1 GLY 2 1HT GLY 2 15.139 21.420 10.770 483 H2 GLY 2 2HT GLY 2 14.736 21.718 12.389 484 H3 GLY 2 3HT GLY 2 14.407 20.205 11.700 485 HA2 GLY 2 1HA GLY 2 17.097 21.355 12.193 486 HA3 GLY 2 2HA GLY 2 16.342 20.065 13.121 487 H ARG 3 H ARG 3 18.737 20.454 11.130 488 HA ARG 3 HA ARG 3 18.241 17.917 9.705 489 HB2 ARG 3 2HB ARG 3 19.653 20.384 8.690 490 HB3 ARG 3 1HB ARG 3 19.782 18.813 7.918 491 HG2 ARG 3 2HG ARG 3 17.355 18.823 7.528 492 HG3 ARG 3 1HG ARG 3 17.265 20.432 8.257 493 HD2 ARG 3 2HD ARG 3 17.362 20.491 5.775 494 HD3 ARG 3 1HD ARG 3 18.700 21.341 6.551 495 HE ARG 3 HE ARG 3 19.187 18.571 5.810 496 HH11 ARG 3 1HH1 ARG 3 19.560 21.957 4.890 497 HH12 ARG 3 2HH1 ARG 3 20.881 21.619 3.814 498 HH21 ARG 3 1HH2 ARG 3 20.919 18.165 4.440 499 HH22 ARG 3 2HH2 ARG 3 21.670 19.474 3.567 500 HA PRO 4 HA PRO 4 22.008 17.322 12.296 501 HB2 PRO 4 2HB PRO 4 21.120 14.520 12.222 502 HB3 PRO 4 1HB PRO 4 21.454 15.550 13.616 503 HG2 PRO 4 2HG PRO 4 18.952 14.801 12.964 504 HG3 PRO 4 1HG PRO 4 19.305 16.382 13.683 505 HD2 PRO 4 2HD PRO 4 18.767 15.680 10.820 506 HD3 PRO 4 1HD PRO 4 18.191 17.070 11.768 507 H TYR 5 H TYR 5 20.897 14.694 10.187 508 HA TYR 5 HA TYR 5 22.995 15.194 8.277 509 HB2 TYR 5 2HB TYR 5 23.761 12.755 8.358 510 HB3 TYR 5 1HB TYR 5 24.323 13.798 9.655 511 HD1 TYR 5 1HD TYR 5 23.158 13.646 11.906 512 HD2 TYR 5 2HD TYR 5 22.585 10.765 8.830 513 HE1 TYR 5 1HE TYR 5 22.330 12.043 13.571 514 HE2 TYR 5 2HE TYR 5 21.742 9.153 10.489 515 HH TYR 5 HH TYR 5 21.955 8.754 12.954 516 H LYS 6 H LYS 6 20.915 12.442 9.138 517 HA LYS 6 HA LYS 6 19.529 12.729 6.575 518 HB2 LYS 6 2HB LYS 6 19.369 10.534 8.661 519 HB3 LYS 6 1HB LYS 6 18.481 10.554 7.146 520 HG2 LYS 6 2HG LYS 6 21.478 10.471 7.398 521 HG3 LYS 6 1HG LYS 6 20.431 9.090 7.083 522 HD2 LYS 6 2HD LYS 6 20.641 11.519 5.311 523 HD3 LYS 6 1HD LYS 6 21.504 10.005 5.041 524 HE2 LYS 6 2HE LYS 6 19.308 8.843 4.944 525 HE3 LYS 6 1HE LYS 6 18.517 10.416 5.059 526 HZ1 LYS 6 3HZ LYS 6 19.733 11.057 3.012 527 HZ2 LYS 6 1HZ LYS 6 18.632 9.792 2.775 528 HZ3 LYS 6 2HZ LYS 6 20.289 9.462 2.874 529 H LEU 7 H LEU 7 17.064 12.048 6.974 530 HA LEU 7 HA LEU 7 16.058 14.089 8.801 531 HB2 LEU 7 2HB LEU 7 14.656 12.503 6.649 532 HB3 LEU 7 1HB LEU 7 13.894 13.732 7.640 533 HG LEU 7 HG LEU 7 16.145 14.197 5.684 534 HD11 LEU 7 1HD1 LEU 7 14.452 15.425 4.410 535 HD12 LEU 7 2HD1 LEU 7 13.224 14.929 5.574 536 HD13 LEU 7 3HD1 LEU 7 14.037 13.719 4.581 537 HD21 LEU 7 3HD2 LEU 7 16.314 15.731 7.549 538 HD22 LEU 7 1HD2 LEU 7 14.600 16.128 7.411 539 HD23 LEU 7 2HD2 LEU 7 15.716 16.584 6.126 540 H LEU 8 H LEU 8 16.412 12.969 10.746 541 HA LEU 8 HA LEU 8 15.655 11.877 12.591 542 HB2 LEU 8 2HB LEU 8 13.169 11.500 10.923 543 HB3 LEU 8 1HB LEU 8 13.281 11.176 12.642 544 HG LEU 8 HG LEU 8 13.743 13.897 11.427 545 HD11 LEU 8 1HD1 LEU 8 11.501 14.455 12.199 546 HD12 LEU 8 2HD1 LEU 8 11.254 12.788 12.718 547 HD13 LEU 8 3HD1 LEU 8 11.453 13.158 11.005 548 HD21 LEU 8 3HD2 LEU 8 14.798 13.585 13.584 549 HD22 LEU 8 1HD2 LEU 8 13.292 12.962 14.259 550 HD23 LEU 8 2HD2 LEU 8 13.400 14.646 13.746 551 H ASN 9 H ASN 9 16.636 10.360 10.006 552 HA ASN 9 HA ASN 9 16.969 8.245 9.263 553 HB2 ASN 9 2HB ASN 9 16.584 7.642 12.202 554 HB3 ASN 9 1HB ASN 9 17.098 6.442 11.020 555 HD21 ASN 9 1HD2 ASN 9 18.465 7.548 13.368 556 HD22 ASN 9 2HD2 ASN 9 19.966 8.171 12.780 557 H GLY 10 H GLY 10 14.329 9.379 9.210 558 HA2 GLY 10 2HA GLY 10 12.832 7.002 8.541 559 HA3 GLY 10 1HA GLY 10 12.179 7.894 9.913 560 H ILE 11 H ILE 11 11.682 7.496 6.758 561 HA ILE 11 HA ILE 11 11.602 10.368 6.087 562 HB ILE 11 HB ILE 11 11.746 8.133 4.069 563 HG12 ILE 11 2HG1 ILE 11 13.691 7.902 5.541 564 HG13 ILE 11 1HG1 ILE 11 14.171 8.476 3.948 565 HG21 ILE 11 1HG2 ILE 11 12.430 11.063 3.941 566 HG22 ILE 11 2HG2 ILE 11 11.065 10.259 3.169 567 HG23 ILE 11 3HG2 ILE 11 12.709 9.905 2.642 568 HD11 ILE 11 3HD1 ILE 11 15.382 9.627 5.718 569 HD12 ILE 11 1HD1 ILE 11 13.854 10.186 6.404 570 HD13 ILE 11 2HD1 ILE 11 14.360 10.743 4.809 571 H LYS 12 H LYS 12 9.890 10.976 4.500 572 HA LYS 12 HA LYS 12 7.395 9.824 5.530 573 HB2 LYS 12 2HB LYS 12 7.993 12.262 5.887 574 HB3 LYS 12 1HB LYS 12 7.830 12.487 4.157 575 HG2 LYS 12 2HG LYS 12 5.568 11.402 5.792 576 HG3 LYS 12 1HG LYS 12 5.870 13.135 5.680 577 HD2 LYS 12 2HD LYS 12 5.751 12.907 3.189 578 HD3 LYS 12 1HD LYS 12 5.235 11.235 3.428 579 HE2 LYS 12 2HE LYS 12 3.277 12.570 3.115 580 HE3 LYS 12 1HE LYS 12 3.346 12.096 4.810 581 HZ1 LYS 12 3HZ LYS 12 4.136 14.736 3.695 582 HZ2 LYS 12 1HZ LYS 12 4.281 14.293 5.324 583 HZ3 LYS 12 2HZ LYS 12 2.749 14.415 4.611 584 H LEU 13 H LEU 13 5.974 8.869 4.249 585 HA LEU 13 HA LEU 13 6.244 9.184 1.346 586 HB2 LEU 13 2HB LEU 13 5.641 6.761 1.122 587 HB3 LEU 13 1HB LEU 13 7.248 7.076 1.745 588 HG LEU 13 HG LEU 13 4.986 6.512 3.636 589 HD11 LEU 13 1HD1 LEU 13 4.933 4.696 2.023 590 HD12 LEU 13 2HD1 LEU 13 5.591 4.139 3.562 591 HD13 LEU 13 3HD1 LEU 13 6.671 4.464 2.204 592 HD21 LEU 13 3HD2 LEU 13 7.070 7.330 4.588 593 HD22 LEU 13 1HD2 LEU 13 7.972 6.073 3.736 594 HD23 LEU 13 2HD2 LEU 13 6.835 5.632 5.010 595 H GLY 14 H GLY 14 4.366 9.345 0.237 596 HA2 GLY 14 2HA GLY 14 1.948 9.424 1.893 597 HA3 GLY 14 1HA GLY 14 2.169 10.286 0.380 598 H VAL 15 H VAL 15 0.776 7.633 1.818 599 HA VAL 15 HA VAL 15 0.672 6.136 -0.708 600 HB VAL 15 HB VAL 15 -0.139 5.191 2.061 601 HG11 VAL 15 1HG1 VAL 15 0.160 3.667 -0.521 602 HG12 VAL 15 2HG1 VAL 15 -1.359 4.058 0.285 603 HG13 VAL 15 3HG1 VAL 15 -0.205 2.967 1.055 604 HG21 VAL 15 3HG2 VAL 15 2.345 4.567 0.472 605 HG22 VAL 15 1HG2 VAL 15 1.895 3.845 2.016 606 HG23 VAL 15 2HG2 VAL 15 2.268 5.568 1.921 607 H TYR 16 H TYR 16 -1.289 5.696 -1.675 608 HA TYR 16 HA TYR 16 -3.604 7.170 -0.598 609 HB2 TYR 16 2HB TYR 16 -2.570 7.930 -2.823 610 HB3 TYR 16 1HB TYR 16 -3.179 6.407 -3.469 611 HD1 TYR 16 1HD TYR 16 -5.055 8.196 -0.917 612 HD2 TYR 16 2HD TYR 16 -4.595 7.558 -5.088 613 HE1 TYR 16 1HE TYR 16 -7.237 9.232 -1.299 614 HE2 TYR 16 2HE TYR 16 -6.788 8.596 -5.492 615 HH TYR 16 HH TYR 16 -8.509 10.284 -2.994 616 H ILE 17 H ILE 17 -5.325 5.927 -0.042 617 HA ILE 17 HA ILE 17 -5.621 3.335 -1.358 618 HB ILE 17 HB ILE 17 -5.792 2.071 0.633 619 HG12 ILE 17 2HG1 ILE 17 -5.402 4.625 2.201 620 HG13 ILE 17 1HG1 ILE 17 -6.917 3.735 2.055 621 HG21 ILE 17 1HG2 ILE 17 -3.554 2.340 1.642 622 HG22 ILE 17 2HG2 ILE 17 -3.385 3.873 0.787 623 HG23 ILE 17 3HG2 ILE 17 -3.530 2.368 -0.122 624 HD11 ILE 17 3HD1 ILE 17 -4.384 2.830 3.396 625 HD12 ILE 17 1HD1 ILE 17 -5.760 1.771 3.083 626 HD13 ILE 17 2HD1 ILE 17 -5.944 3.169 4.151 627 HA PRO 18 HA PRO 18 -9.902 4.139 -1.547 628 HB2 PRO 18 2HB PRO 18 -10.392 1.323 -0.799 629 HB3 PRO 18 1HB PRO 18 -10.820 2.184 -2.280 630 HG2 PRO 18 2HG PRO 18 -8.852 0.369 -2.235 631 HG3 PRO 18 1HG PRO 18 -8.751 1.825 -3.244 632 HD2 PRO 18 2HD PRO 18 -7.420 1.224 -0.633 633 HD3 PRO 18 1HD PRO 18 -6.789 2.078 -2.059 634 H GLN 19 H GLN 19 -11.884 4.221 -0.374 635 HA GLN 19 HA GLN 19 -11.497 4.614 2.432 636 HB2 GLN 19 2HB GLN 19 -13.772 5.366 2.507 637 HB3 GLN 19 1HB GLN 19 -13.036 6.002 1.043 638 HG2 GLN 19 2HG GLN 19 -14.627 5.095 -0.189 639 HG3 GLN 19 1HG GLN 19 -14.243 3.496 0.448 640 HE21 GLN 19 1HE2 GLN 19 -14.899 4.153 3.183 641 HE22 GLN 19 2HE2 GLN 19 -16.623 4.261 3.269 642 H GLU 20 H GLU 20 -12.587 1.980 0.483 643 HA GLU 20 HA GLU 20 -13.983 0.438 2.348 644 HB2 GLU 20 2HB GLU 20 -12.016 -0.517 0.250 645 HB3 GLU 20 1HB GLU 20 -13.211 -1.518 1.062 646 HG2 GLU 20 2HG GLU 20 -15.000 -0.178 0.047 647 HG3 GLU 20 1HG GLU 20 -13.784 0.788 -0.789 648 H TRP 21 H TRP 21 -10.596 1.084 1.923 649 HA TRP 21 HA TRP 21 -9.700 -0.837 3.866 650 HB2 TRP 21 2HB TRP 21 -8.358 1.433 2.403 651 HB3 TRP 21 1HB TRP 21 -7.529 0.479 3.624 652 HD1 TRP 21 HD TRP 21 -9.752 -1.636 1.433 653 HE1 TRP 21 1HE TRP 21 -8.274 -2.923 -0.256 654 HE3 TRP 21 3HE TRP 21 -5.371 0.824 2.204 655 HZ2 TRP 21 2HZ TRP 21 -5.552 -2.865 -1.124 656 HZ3 TRP 21 3HZ TRP 21 -3.396 0.171 0.936 657 HH2 TRP 21 HH TRP 21 -3.459 -1.616 -0.681 658 H HIS 22 H HIS 22 -10.188 2.667 3.704 659 HA HIS 22 HA HIS 22 -9.234 3.313 6.248 660 HB2 HIS 22 2HB HIS 22 -11.268 4.590 4.450 661 HB3 HIS 22 1HB HIS 22 -11.027 5.205 6.085 662 HD1 HIS 22 1HD HIS 22 -9.330 6.994 6.261 663 HD2 HIS 22 2HD HIS 22 -8.635 4.503 2.992 664 HE1 HIS 22 1HE HIS 22 -7.304 7.935 5.104 665 HE2 HIS 22 2HE HIS 22 -7.007 6.515 3.040 666 H ASP 23 H ASP 23 -12.456 2.259 5.231 667 HA ASP 23 HA ASP 23 -13.701 2.445 7.727 668 HB2 ASP 23 2HB ASP 23 -14.852 2.064 5.551 669 HB3 ASP 23 1HB ASP 23 -14.261 0.405 5.568 670 H ARG 24 H ARG 24 -12.370 -0.518 6.201 671 HA ARG 24 HA ARG 24 -12.845 -2.067 8.552 672 HB2 ARG 24 2HB ARG 24 -11.622 -2.554 5.886 673 HB3 ARG 24 1HB ARG 24 -11.224 -3.674 7.176 674 HG2 ARG 24 2HG ARG 24 -13.057 -4.521 5.857 675 HG3 ARG 24 1HG ARG 24 -13.605 -4.150 7.489 676 HD2 ARG 24 2HD ARG 24 -14.827 -2.318 6.802 677 HD3 ARG 24 1HD ARG 24 -13.902 -2.120 5.313 678 HE ARG 24 HE ARG 24 -15.114 -4.544 5.026 679 HH11 ARG 24 1HH1 ARG 24 -16.374 -1.354 5.831 680 HH12 ARG 24 2HH1 ARG 24 -17.824 -1.580 4.904 681 HH21 ARG 24 1HH2 ARG 24 -17.042 -4.810 3.822 682 HH22 ARG 24 2HH2 ARG 24 -18.217 -3.522 3.795 683 H LEU 25 H LEU 25 -9.870 -0.843 7.015 684 HA LEU 25 HA LEU 25 -8.133 -2.152 8.828 685 HB2 LEU 25 2HB LEU 25 -7.618 0.211 7.025 686 HB3 LEU 25 1HB LEU 25 -6.378 -0.660 7.906 687 HG LEU 25 HG LEU 25 -8.130 -1.809 5.733 688 HD11 LEU 25 1HD1 LEU 25 -6.464 -0.256 4.889 689 HD12 LEU 25 2HD1 LEU 25 -6.047 -1.913 4.455 690 HD13 LEU 25 3HD1 LEU 25 -5.200 -1.107 5.775 691 HD21 LEU 25 3HD2 LEU 25 -7.581 -3.481 7.423 692 HD22 LEU 25 1HD2 LEU 25 -5.873 -3.063 7.297 693 HD23 LEU 25 2HD2 LEU 25 -6.706 -3.793 5.924 694 H MET 26 H MET 26 -9.411 1.185 8.727 695 HA MET 26 HA MET 26 -7.823 2.006 10.943 696 HB2 MET 26 2HB MET 26 -10.288 3.231 9.725 697 HB3 MET 26 1HB MET 26 -9.397 3.959 11.059 698 HG2 MET 26 2HG MET 26 -7.398 4.080 9.679 699 HG3 MET 26 1HG MET 26 -8.260 3.310 8.348 700 HE1 MET 26 3HE MET 26 -8.027 6.494 10.645 701 HE2 MET 26 1HE MET 26 -9.698 5.969 10.849 702 HE3 MET 26 2HE MET 26 -9.344 7.478 10.008 703 H GLU 27 H GLU 27 -10.918 0.383 10.695 704 HA GLU 27 HA GLU 27 -11.606 0.654 13.420 705 HB2 GLU 27 2HB GLU 27 -13.130 -0.269 11.682 706 HB3 GLU 27 1HB GLU 27 -12.130 -1.711 11.607 707 HG2 GLU 27 2HG GLU 27 -14.139 -2.052 12.949 708 HG3 GLU 27 1HG GLU 27 -12.670 -2.246 13.905 709 H ILE 28 H ILE 28 -9.537 -1.611 11.692 710 HA ILE 28 HA ILE 28 -8.794 -3.197 13.922 711 HB ILE 28 HB ILE 28 -7.214 -2.620 11.401 712 HG12 ILE 28 2HG1 ILE 28 -9.074 -4.923 12.031 713 HG13 ILE 28 1HG1 ILE 28 -9.475 -3.562 10.987 714 HG21 ILE 28 1HG2 ILE 28 -6.085 -4.750 11.880 715 HG22 ILE 28 2HG2 ILE 28 -6.961 -4.853 13.408 716 HG23 ILE 28 3HG2 ILE 28 -5.805 -3.548 13.138 717 HD11 ILE 28 3HD1 ILE 28 -7.287 -5.575 10.494 718 HD12 ILE 28 1HD1 ILE 28 -7.700 -4.218 9.446 719 HD13 ILE 28 2HD1 ILE 28 -8.859 -5.525 9.693 720 H ALA 29 H ALA 29 -7.538 -0.261 12.485 721 HA ALA 29 HA ALA 29 -5.201 0.011 14.037 722 HB1 ALA 29 1HB ALA 29 -5.563 1.255 11.973 723 HB2 ALA 29 2HB ALA 29 -5.244 2.352 13.319 724 HB3 ALA 29 3HB ALA 29 -6.892 2.137 12.729 725 H LYS 30 H LYS 30 -8.532 0.617 14.676 726 HA LYS 30 HA LYS 30 -8.135 2.360 16.921 727 HB2 LYS 30 2HB LYS 30 -10.183 2.198 15.393 728 HB3 LYS 30 1HB LYS 30 -10.583 0.722 16.262 729 HG2 LYS 30 2HG LYS 30 -10.544 2.125 18.373 730 HG3 LYS 30 1HG LYS 30 -10.502 3.533 17.309 731 HD2 LYS 30 2HD LYS 30 -12.636 1.403 17.405 732 HD3 LYS 30 1HD LYS 30 -12.787 3.075 17.944 733 HE2 LYS 30 2HE LYS 30 -12.535 3.872 15.679 734 HE3 LYS 30 1HE LYS 30 -12.221 2.235 15.102 735 HZ1 LYS 30 3HZ LYS 30 -14.508 2.945 14.686 736 HZ2 LYS 30 1HZ LYS 30 -14.760 3.149 16.346 737 HZ3 LYS 30 2HZ LYS 30 -14.455 1.603 15.712 738 H GLU 31 H GLU 31 -8.619 -1.032 16.322 739 HA GLU 31 HA GLU 31 -9.011 -1.910 18.967 740 HB2 GLU 31 2HB GLU 31 -7.832 -3.398 16.611 741 HB3 GLU 31 1HB GLU 31 -8.382 -4.137 18.106 742 HG2 GLU 31 2HG GLU 31 -10.650 -3.453 17.659 743 HG3 GLU 31 1HG GLU 31 -10.134 -2.596 16.208 744 H LYS 32 H LYS 32 -6.069 -1.608 16.987 745 HA LYS 32 HA LYS 32 -4.480 -2.708 19.179 746 HB2 LYS 32 2HB LYS 32 -3.853 -2.174 16.287 747 HB3 LYS 32 1HB LYS 32 -2.604 -2.585 17.447 748 HG2 LYS 32 2HG LYS 32 -3.119 -4.594 16.391 749 HG3 LYS 32 1HG LYS 32 -3.975 -4.676 17.931 750 HD2 LYS 32 2HD LYS 32 -6.057 -4.172 16.887 751 HD3 LYS 32 1HD LYS 32 -5.263 -3.767 15.363 752 HE2 LYS 32 2HE LYS 32 -6.266 -5.955 15.189 753 HE3 LYS 32 1HE LYS 32 -4.513 -6.107 15.168 754 HZ1 LYS 32 3HZ LYS 32 -6.335 -6.681 17.438 755 HZ2 LYS 32 1HZ LYS 32 -4.643 -6.640 17.577 756 HZ3 LYS 32 2HZ LYS 32 -5.380 -7.787 16.571 757 H ASN 33 H ASN 33 -5.447 0.309 18.321 758 HA ASN 33 HA ASN 33 -4.749 2.432 18.745 759 HB2 ASN 33 2HB ASN 33 -4.192 1.588 20.998 760 HB3 ASN 33 1HB ASN 33 -2.603 1.102 20.423 761 HD21 ASN 33 1HD2 ASN 33 -4.328 4.078 19.615 762 HD22 ASN 33 2HD2 ASN 33 -3.168 5.142 20.338 763 H LEU 34 H LEU 34 -4.185 1.806 16.388 764 HA LEU 34 HA LEU 34 -1.433 2.687 15.857 765 HB2 LEU 34 2HB LEU 34 -2.916 0.475 14.420 766 HB3 LEU 34 1HB LEU 34 -1.384 1.153 13.900 767 HG LEU 34 HG LEU 34 -1.815 -0.307 16.507 768 HD11 LEU 34 1HD1 LEU 34 -0.538 -1.247 13.942 769 HD12 LEU 34 2HD1 LEU 34 -2.083 -1.798 14.592 770 HD13 LEU 34 3HD1 LEU 34 -0.587 -2.139 15.463 771 HD21 LEU 34 3HD2 LEU 34 0.677 0.684 15.130 772 HD22 LEU 34 1HD2 LEU 34 0.652 -0.350 16.559 773 HD23 LEU 34 2HD2 LEU 34 -0.002 1.286 16.642 774 H THR 35 H THR 35 -1.252 3.526 13.554 775 HA THR 35 HA THR 35 -3.788 4.792 12.766 776 HB THR 35 HB THR 35 -2.413 6.306 11.381 777 HG1 THR 35 1HG THR 35 -0.221 4.868 12.540 778 HG21 THR 35 3HG2 THR 35 -1.565 6.144 14.273 779 HG22 THR 35 1HG2 THR 35 -2.954 7.019 13.630 780 HG23 THR 35 2HG2 THR 35 -1.319 7.541 13.226 781 H LEU 36 H LEU 36 -4.248 4.855 10.385 782 HA LEU 36 HA LEU 36 -4.050 2.296 9.239 783 HB2 LEU 36 2HB LEU 36 -5.050 3.155 7.297 784 HB3 LEU 36 1HB LEU 36 -5.732 4.069 8.625 785 HG LEU 36 HG LEU 36 -3.470 5.112 6.926 786 HD11 LEU 36 1HD1 LEU 36 -5.341 4.641 5.474 787 HD12 LEU 36 2HD1 LEU 36 -5.187 6.382 5.714 788 HD13 LEU 36 3HD1 LEU 36 -6.437 5.482 6.572 789 HD21 LEU 36 3HD2 LEU 36 -5.474 6.503 8.703 790 HD22 LEU 36 1HD2 LEU 36 -4.215 7.284 7.749 791 HD23 LEU 36 2HD2 LEU 36 -3.776 6.221 9.085 792 H SER 37 H SER 37 -2.028 5.112 8.998 793 HA SER 37 HA SER 37 -0.306 4.391 6.945 794 HB2 SER 37 2HB SER 37 0.469 5.766 9.531 795 HB3 SER 37 1HB SER 37 1.260 5.919 7.961 796 HG SER 37 HG SER 37 -0.016 7.649 7.991 797 H ASP 38 H ASP 38 -0.334 3.470 10.361 798 HA ASP 38 HA ASP 38 2.089 2.022 10.366 799 HB2 ASP 38 2HB ASP 38 -0.368 1.813 12.110 800 HB3 ASP 38 1HB ASP 38 1.067 0.829 12.366 801 H VAL 39 H VAL 39 -1.240 1.124 9.649 802 HA VAL 39 HA VAL 39 -0.862 -1.662 9.579 803 HB VAL 39 HB VAL 39 -2.862 -0.041 7.991 804 HG11 VAL 39 1HG1 VAL 39 -2.885 -2.943 8.824 805 HG12 VAL 39 2HG1 VAL 39 -2.681 -2.329 7.183 806 HG13 VAL 39 3HG1 VAL 39 -4.211 -2.096 8.027 807 HG21 VAL 39 3HG2 VAL 39 -2.992 0.471 10.370 808 HG22 VAL 39 1HG2 VAL 39 -3.106 -1.250 10.743 809 HG23 VAL 39 2HG2 VAL 39 -4.400 -0.455 9.850 810 H CYS 40 H CYS 40 -0.496 0.814 7.077 811 HA CYS 40 HA CYS 40 -0.131 -1.010 4.942 812 HB2 CYS 40 2HB CYS 40 -0.639 1.586 4.948 813 HB3 CYS 40 1HB CYS 40 1.109 1.724 4.844 814 HG CYS 40 HG CYS 40 0.067 -0.455 2.631 815 H ARG 41 H ARG 41 2.333 1.028 6.568 816 HA ARG 41 HA ARG 41 4.555 -0.306 5.613 817 HB2 ARG 41 2HB ARG 41 5.774 0.652 7.569 818 HB3 ARG 41 1HB ARG 41 4.839 1.812 6.640 819 HG2 ARG 41 2HG ARG 41 4.292 2.475 8.731 820 HG3 ARG 41 1HG ARG 41 3.015 1.287 8.473 821 HD2 ARG 41 2HD ARG 41 3.882 0.863 10.634 822 HD3 ARG 41 1HD ARG 41 4.541 -0.399 9.590 823 HE ARG 41 HE ARG 41 6.451 1.545 9.562 824 HH11 ARG 41 1HH1 ARG 41 4.806 -0.224 12.085 825 HH12 ARG 41 2HH1 ARG 41 6.128 -0.132 13.206 826 HH21 ARG 41 1HH2 ARG 41 8.207 1.691 11.039 827 HH22 ARG 41 2HH2 ARG 41 8.056 0.972 12.616 828 H LEU 42 H LEU 42 2.524 -1.259 8.357 829 HA LEU 42 HA LEU 42 4.334 -3.290 9.253 830 HB2 LEU 42 2HB LEU 42 1.380 -2.895 9.682 831 HB3 LEU 42 1HB LEU 42 2.260 -4.251 10.359 832 HG LEU 42 HG LEU 42 2.799 -1.339 10.951 833 HD11 LEU 42 1HD1 LEU 42 0.709 -2.113 11.934 834 HD12 LEU 42 2HD1 LEU 42 1.934 -1.876 13.181 835 HD13 LEU 42 3HD1 LEU 42 1.536 -3.504 12.632 836 HD21 LEU 42 3HD2 LEU 42 4.321 -2.194 12.661 837 HD22 LEU 42 1HD2 LEU 42 4.825 -2.700 11.048 838 HD23 LEU 42 2HD2 LEU 42 4.014 -3.843 12.118 839 H ALA 43 H ALA 43 2.026 -3.021 6.733 840 HA ALA 43 HA ALA 43 1.636 -5.806 6.316 841 HB1 ALA 43 1HB ALA 43 1.140 -3.500 4.447 842 HB2 ALA 43 2HB ALA 43 -0.014 -4.162 5.606 843 HB3 ALA 43 3HB ALA 43 0.539 -5.146 4.250 844 H ILE 44 H ILE 44 3.877 -3.388 4.983 845 HA ILE 44 HA ILE 44 4.959 -5.182 3.044 846 HB ILE 44 HB ILE 44 6.983 -3.601 3.100 847 HG12 ILE 44 2HG1 ILE 44 5.048 -2.112 4.864 848 HG13 ILE 44 1HG1 ILE 44 6.727 -2.523 5.202 849 HG21 ILE 44 1HG2 ILE 44 5.736 -1.886 1.803 850 HG22 ILE 44 2HG2 ILE 44 4.243 -2.678 2.309 851 HG23 ILE 44 3HG2 ILE 44 5.410 -3.552 1.320 852 HD11 ILE 44 3HD1 ILE 44 7.471 -0.961 3.490 853 HD12 ILE 44 1HD1 ILE 44 6.474 -0.155 4.701 854 HD13 ILE 44 2HD1 ILE 44 5.795 -0.552 3.121 855 H LYS 45 H LYS 45 5.696 -4.419 6.395 856 HA LYS 45 HA LYS 45 7.995 -5.986 6.673 857 HB2 LYS 45 2HB LYS 45 7.094 -4.484 8.440 858 HB3 LYS 45 1HB LYS 45 5.779 -5.619 8.703 859 HG2 LYS 45 2HG LYS 45 7.502 -5.872 10.394 860 HG3 LYS 45 1HG LYS 45 7.382 -7.327 9.401 861 HD2 LYS 45 2HD LYS 45 9.319 -6.624 8.108 862 HD3 LYS 45 1HD LYS 45 9.421 -5.130 9.043 863 HE2 LYS 45 2HE LYS 45 11.056 -6.730 9.842 864 HE3 LYS 45 1HE LYS 45 9.828 -6.451 11.073 865 HZ1 LYS 45 3HZ LYS 45 10.445 -8.812 10.780 866 HZ2 LYS 45 1HZ LYS 45 9.815 -8.768 9.209 867 HZ3 LYS 45 2HZ LYS 45 8.796 -8.527 10.539 868 H GLU 46 H GLU 46 4.586 -6.828 6.745 869 HA GLU 46 HA GLU 46 4.912 -9.584 7.379 870 HB2 GLU 46 2HB GLU 46 2.814 -8.248 7.696 871 HB3 GLU 46 1HB GLU 46 2.631 -8.186 5.952 872 HG2 GLU 46 2HG GLU 46 1.193 -9.875 6.595 873 HG3 GLU 46 1HG GLU 46 2.628 -10.744 6.053 874 H TYR 47 H TYR 47 4.656 -7.684 4.440 875 HA TYR 47 HA TYR 47 4.419 -9.769 2.596 876 HB2 TYR 47 2HB TYR 47 3.971 -7.373 2.107 877 HB3 TYR 47 1HB TYR 47 5.701 -7.058 2.188 878 HD1 TYR 47 1HD TYR 47 3.008 -8.584 0.229 879 HD2 TYR 47 2HD TYR 47 7.169 -7.721 0.374 880 HE1 TYR 47 1HE TYR 47 3.189 -9.106 -2.161 881 HE2 TYR 47 2HE TYR 47 7.363 -8.241 -2.023 882 HH TYR 47 HH TYR 47 4.613 -8.678 -4.038 883 H LEU 48 H LEU 48 7.233 -8.118 3.927 884 HA LEU 48 HA LEU 48 9.185 -9.444 2.394 885 HB2 LEU 48 2HB LEU 48 9.377 -8.278 5.170 886 HB3 LEU 48 1HB LEU 48 10.749 -8.780 4.200 887 HG LEU 48 HG LEU 48 8.845 -6.526 3.542 888 HD11 LEU 48 1HD1 LEU 48 10.368 -6.010 5.379 889 HD12 LEU 48 2HD1 LEU 48 10.782 -5.094 3.930 890 HD13 LEU 48 3HD1 LEU 48 11.740 -6.501 4.386 891 HD21 LEU 48 3HD2 LEU 48 10.359 -6.055 1.684 892 HD22 LEU 48 1HD2 LEU 48 9.639 -7.657 1.527 893 HD23 LEU 48 2HD2 LEU 48 11.304 -7.489 2.084 894 H ASP 49 H ASP 49 7.993 -10.076 5.683 895 HA ASP 49 HA ASP 49 9.631 -12.250 6.261 896 HB2 ASP 49 2HB ASP 49 7.030 -11.253 7.311 897 HB3 ASP 49 1HB ASP 49 7.574 -12.849 7.818 898 H ASN 50 H ASN 50 6.456 -12.236 4.670 899 HA ASN 50 HA ASN 50 6.276 -15.112 4.733 900 HB2 ASN 50 2HB ASN 50 4.588 -12.980 3.434 901 HB3 ASN 50 1HB ASN 50 4.278 -14.697 3.188 902 HD21 ASN 50 1HD2 ASN 50 4.275 -12.081 5.474 903 HD22 ASN 50 2HD2 ASN 50 3.332 -12.870 6.693 904 H HIS 51 H HIS 51 7.488 -12.744 2.504 905 HA HIS 51 HA HIS 51 7.694 -14.756 0.385 906 HB2 HIS 51 2HB HIS 51 8.105 -11.779 0.441 907 HB3 HIS 51 1HB HIS 51 8.718 -12.751 -0.892 908 HD1 HIS 51 1HD HIS 51 7.072 -13.450 -2.669 909 HD2 HIS 51 2HD HIS 51 5.234 -11.783 0.671 910 HE1 HIS 51 1HE HIS 51 4.658 -13.126 -3.313 911 HE2 HIS 51 2HE HIS 51 3.540 -12.183 -1.254 912 H ASP 52 H ASP 52 9.427 -13.821 2.998 913 HA ASP 52 HA ASP 52 12.054 -14.152 1.755 914 HB2 ASP 52 2HB ASP 52 11.614 -12.275 3.376 915 HB3 ASP 52 1HB ASP 52 11.406 -13.489 4.632 916 H LYS 53 H LYS 53 12.807 -16.149 1.628 917 HA LYS 53 HA LYS 53 11.585 -18.212 3.235 918 HB2 LYS 53 2HB LYS 53 13.621 -18.399 1.013 919 HB3 LYS 53 1HB LYS 53 12.835 -19.771 1.790 920 HG2 LYS 53 2HG LYS 53 10.643 -18.846 1.070 921 HG3 LYS 53 1HG LYS 53 11.517 -17.605 0.170 922 HD2 LYS 53 2HD LYS 53 12.593 -19.320 -1.175 923 HD3 LYS 53 1HD LYS 53 11.773 -20.579 -0.250 924 HE2 LYS 53 2HE LYS 53 10.460 -18.481 -1.974 925 HE3 LYS 53 1HE LYS 53 10.625 -20.195 -2.351 926 HZ1 LYS 53 3HZ LYS 53 8.959 -18.944 -0.239 927 HZ2 LYS 53 1HZ LYS 53 9.312 -20.604 -0.256 928 HZ3 LYS 53 2HZ LYS 53 8.454 -19.908 -1.540 929 H GLN 54 H GLN 54 13.988 -16.140 3.875 930 HA GLN 54 HA GLN 54 15.687 -18.045 5.265 931 HB2 GLN 54 2HB GLN 54 15.669 -15.034 5.090 932 HB3 GLN 54 1HB GLN 54 16.678 -15.881 6.252 933 HG2 GLN 54 2HG GLN 54 18.013 -15.339 4.358 934 HG3 GLN 54 1HG GLN 54 17.751 -17.080 4.362 935 HE21 GLN 54 1HE2 GLN 54 16.544 -18.014 2.745 936 HE22 GLN 54 2HE2 GLN 54 16.101 -17.163 1.301 937 H LYS 55 H LYS 55 12.975 -15.968 5.802 938 HA LYS 55 HA LYS 55 12.957 -16.247 8.671 939 HB2 LYS 55 2HB LYS 55 10.660 -15.435 6.881 940 HB3 LYS 55 1HB LYS 55 10.843 -15.101 8.597 941 HG2 LYS 55 2HG LYS 55 12.601 -13.989 6.423 942 HG3 LYS 55 1HG LYS 55 11.252 -13.138 7.176 943 HD2 LYS 55 2HD LYS 55 12.359 -13.161 9.310 944 HD3 LYS 55 1HD LYS 55 13.648 -14.191 8.676 945 HE2 LYS 55 2HE LYS 55 13.024 -11.416 7.672 946 HE3 LYS 55 1HE LYS 55 14.275 -11.789 8.859 947 HZ1 LYS 55 3HZ LYS 55 15.131 -11.584 6.574 948 HZ2 LYS 55 1HZ LYS 55 14.182 -12.915 6.105 949 HZ3 LYS 55 2HZ LYS 55 15.422 -13.113 7.246 950 H LYS 56 H LYS 56 10.935 -17.441 6.010 951 HA LYS 56 HA LYS 56 9.559 -19.211 5.770 952 HB2 LYS 56 2HB LYS 56 11.403 -20.400 7.846 953 HB3 LYS 56 1HB LYS 56 10.093 -21.303 7.098 954 HG2 LYS 56 2HG LYS 56 11.127 -20.863 4.882 955 HG3 LYS 56 1HG LYS 56 12.489 -20.109 5.714 956 HD2 LYS 56 2HD LYS 56 13.019 -22.174 6.827 957 HD3 LYS 56 1HD LYS 56 11.564 -22.940 6.189 958 HE2 LYS 56 2HE LYS 56 13.425 -23.698 4.892 959 HE3 LYS 56 1HE LYS 56 12.482 -22.596 3.893 960 HZ1 LYS 56 3HZ LYS 56 14.937 -21.834 5.382 961 HZ2 LYS 56 1HZ LYS 56 14.078 -20.865 4.287 962 HZ3 LYS 56 2HZ LYS 56 14.902 -22.242 3.734 Start of MODEL 5 1 H1 GLY 2 1HT GLY 2 -12.910 14.723 -11.258 2 H2 GLY 2 2HT GLY 2 -14.015 15.789 -10.543 3 H3 GLY 2 3HT GLY 2 -14.568 14.514 -11.508 4 HA2 GLY 2 1HA GLY 2 -13.709 12.905 -9.918 5 HA3 GLY 2 2HA GLY 2 -13.169 14.241 -8.910 6 H ARG 3 H ARG 3 -14.469 13.463 -7.205 7 HA ARG 3 HA ARG 3 -16.300 13.363 -5.878 8 HB2 ARG 3 2HB ARG 3 -17.151 15.482 -7.832 9 HB3 ARG 3 1HB ARG 3 -18.227 14.947 -6.551 10 HG2 ARG 3 2HG ARG 3 -15.476 16.105 -6.139 11 HG3 ARG 3 1HG ARG 3 -16.994 16.989 -5.973 12 HD2 ARG 3 2HD ARG 3 -15.970 14.709 -4.292 13 HD3 ARG 3 1HD ARG 3 -16.347 16.356 -3.785 14 HE ARG 3 HE ARG 3 -18.630 15.002 -4.870 15 HH11 ARG 3 1HH1 ARG 3 -16.785 15.545 -1.924 16 HH12 ARG 3 2HH1 ARG 3 -18.051 14.949 -0.895 17 HH21 ARG 3 1HH2 ARG 3 -20.270 14.239 -3.502 18 HH22 ARG 3 2HH2 ARG 3 -20.025 14.226 -1.780 19 HA PRO 4 HA PRO 4 -18.437 10.406 -8.829 20 HB2 PRO 4 2HB PRO 4 -17.780 8.503 -6.669 21 HB3 PRO 4 1HB PRO 4 -17.542 8.344 -8.412 22 HG2 PRO 4 2HG PRO 4 -15.474 8.717 -6.747 23 HG3 PRO 4 1HG PRO 4 -15.506 9.440 -8.367 24 HD2 PRO 4 2HD PRO 4 -16.069 10.705 -5.711 25 HD3 PRO 4 1HD PRO 4 -15.164 11.351 -7.098 26 H TYR 5 H TYR 5 -18.451 9.776 -5.333 27 HA TYR 5 HA TYR 5 -21.012 11.013 -5.012 28 HB2 TYR 5 2HB TYR 5 -22.077 8.968 -3.989 29 HB3 TYR 5 1HB TYR 5 -21.900 8.932 -5.735 30 HD1 TYR 5 1HD TYR 5 -19.992 7.557 -6.712 31 HD2 TYR 5 2HD TYR 5 -21.207 7.251 -2.646 32 HE1 TYR 5 1HE TYR 5 -18.901 5.364 -6.558 33 HE2 TYR 5 2HE TYR 5 -20.113 5.053 -2.480 34 HH TYR 5 HH TYR 5 -19.438 3.205 -4.038 35 H LYS 6 H LYS 6 -18.828 8.698 -3.405 36 HA LYS 6 HA LYS 6 -19.106 10.227 -0.932 37 HB2 LYS 6 2HB LYS 6 -19.334 7.794 -0.776 38 HB3 LYS 6 1HB LYS 6 -17.739 7.582 -1.482 39 HG2 LYS 6 2HG LYS 6 -16.725 8.653 0.457 40 HG3 LYS 6 1HG LYS 6 -18.325 8.910 1.156 41 HD2 LYS 6 2HD LYS 6 -17.179 6.205 0.479 42 HD3 LYS 6 1HD LYS 6 -17.121 6.939 2.083 43 HE2 LYS 6 2HE LYS 6 -19.655 6.403 0.544 44 HE3 LYS 6 1HE LYS 6 -18.985 5.311 1.756 45 HZ1 LYS 6 3HZ LYS 6 -19.798 8.128 2.264 46 HZ2 LYS 6 1HZ LYS 6 -19.243 7.015 3.420 47 HZ3 LYS 6 2HZ LYS 6 -20.729 6.762 2.643 48 H LEU 7 H LEU 7 -17.973 12.042 -1.793 49 HA LEU 7 HA LEU 7 -16.191 13.415 -2.008 50 HB2 LEU 7 2HB LEU 7 -14.942 11.260 -0.320 51 HB3 LEU 7 1HB LEU 7 -14.033 12.665 -0.838 52 HG LEU 7 HG LEU 7 -15.755 14.099 0.308 53 HD11 LEU 7 1HD1 LEU 7 -17.582 12.495 0.390 54 HD12 LEU 7 2HD1 LEU 7 -17.163 13.056 2.009 55 HD13 LEU 7 3HD1 LEU 7 -16.641 11.462 1.466 56 HD21 LEU 7 3HD2 LEU 7 -13.589 13.625 1.311 57 HD22 LEU 7 1HD2 LEU 7 -14.229 12.141 2.018 58 HD23 LEU 7 2HD2 LEU 7 -14.849 13.706 2.543 59 H LEU 8 H LEU 8 -14.016 10.671 -2.030 60 HA LEU 8 HA LEU 8 -13.811 10.792 -4.955 61 HB2 LEU 8 2HB LEU 8 -11.531 11.080 -3.001 62 HB3 LEU 8 1HB LEU 8 -11.297 10.662 -4.686 63 HG LEU 8 HG LEU 8 -12.574 13.220 -3.713 64 HD11 LEU 8 1HD1 LEU 8 -10.493 14.290 -4.416 65 HD12 LEU 8 2HD1 LEU 8 -9.804 12.710 -4.789 66 HD13 LEU 8 3HD1 LEU 8 -10.211 13.123 -3.123 67 HD21 LEU 8 3HD2 LEU 8 -12.304 13.936 -6.042 68 HD22 LEU 8 1HD2 LEU 8 -13.365 12.533 -5.911 69 HD23 LEU 8 2HD2 LEU 8 -11.702 12.333 -6.462 70 H ASN 9 H ASN 9 -14.668 8.976 -2.595 71 HA ASN 9 HA ASN 9 -14.795 6.765 -2.148 72 HB2 ASN 9 2HB ASN 9 -13.721 6.706 -4.936 73 HB3 ASN 9 1HB ASN 9 -13.755 5.210 -4.007 74 HD21 ASN 9 1HD2 ASN 9 -15.670 4.229 -3.577 75 HD22 ASN 9 2HD2 ASN 9 -17.178 4.728 -4.273 76 H GLY 10 H GLY 10 -12.141 8.443 -1.847 77 HA2 GLY 10 2HA GLY 10 -10.744 6.384 -0.414 78 HA3 GLY 10 1HA GLY 10 -9.905 6.897 -1.872 79 H ILE 11 H ILE 11 -8.768 7.208 0.634 80 HA ILE 11 HA ILE 11 -8.883 10.131 1.005 81 HB ILE 11 HB ILE 11 -8.477 8.146 3.256 82 HG12 ILE 11 2HG1 ILE 11 -10.775 9.253 3.968 83 HG13 ILE 11 1HG1 ILE 11 -10.950 9.482 2.232 84 HG21 ILE 11 1HG2 ILE 11 -8.781 10.101 4.710 85 HG22 ILE 11 2HG2 ILE 11 -8.908 11.132 3.285 86 HG23 ILE 11 3HG2 ILE 11 -7.398 10.289 3.632 87 HD11 ILE 11 3HD1 ILE 11 -10.717 7.073 1.891 88 HD12 ILE 11 1HD1 ILE 11 -12.057 7.450 2.978 89 HD13 ILE 11 2HD1 ILE 11 -10.533 6.848 3.631 90 H LYS 12 H LYS 12 -6.886 11.087 1.746 91 HA LYS 12 HA LYS 12 -4.562 9.583 0.779 92 HB2 LYS 12 2HB LYS 12 -4.888 11.654 -0.373 93 HB3 LYS 12 1HB LYS 12 -5.114 12.528 1.130 94 HG2 LYS 12 2HG LYS 12 -2.958 13.027 0.161 95 HG3 LYS 12 1HG LYS 12 -2.764 12.176 1.692 96 HD2 LYS 12 2HD LYS 12 -2.335 10.096 0.495 97 HD3 LYS 12 1HD LYS 12 -2.574 10.924 -1.046 98 HE2 LYS 12 2HE LYS 12 -0.189 10.652 -0.481 99 HE3 LYS 12 1HE LYS 12 -0.664 12.341 -0.631 100 HZ1 LYS 12 3HZ LYS 12 0.747 12.010 1.289 101 HZ2 LYS 12 1HZ LYS 12 -0.322 10.855 1.923 102 HZ3 LYS 12 2HZ LYS 12 -0.803 12.477 1.787 103 H LEU 13 H LEU 13 -3.029 8.939 2.103 104 HA LEU 13 HA LEU 13 -2.995 9.955 4.859 105 HB2 LEU 13 2HB LEU 13 -2.364 7.581 5.500 106 HB3 LEU 13 1HB LEU 13 -4.033 7.859 5.041 107 HG LEU 13 HG LEU 13 -2.134 6.887 2.947 108 HD11 LEU 13 1HD1 LEU 13 -3.387 5.148 5.070 109 HD12 LEU 13 2HD1 LEU 13 -1.662 5.427 4.829 110 HD13 LEU 13 3HD1 LEU 13 -2.596 4.565 3.605 111 HD21 LEU 13 3HD2 LEU 13 -5.058 6.407 3.545 112 HD22 LEU 13 1HD2 LEU 13 -4.176 5.718 2.182 113 HD23 LEU 13 2HD2 LEU 13 -4.405 7.463 2.291 114 H GLY 14 H GLY 14 -0.931 9.365 6.000 115 HA2 GLY 14 2HA GLY 14 1.355 9.315 4.142 116 HA3 GLY 14 1HA GLY 14 1.223 10.590 5.345 117 H VAL 15 H VAL 15 3.274 8.507 4.999 118 HA VAL 15 HA VAL 15 3.068 7.224 7.643 119 HB VAL 15 HB VAL 15 4.201 5.808 5.222 120 HG11 VAL 15 1HG1 VAL 15 3.349 4.781 7.923 121 HG12 VAL 15 2HG1 VAL 15 5.009 5.013 7.373 122 HG13 VAL 15 3HG1 VAL 15 3.984 3.804 6.599 123 HG21 VAL 15 3HG2 VAL 15 1.429 5.514 6.374 124 HG22 VAL 15 1HG2 VAL 15 2.144 4.477 5.139 125 HG23 VAL 15 2HG2 VAL 15 1.841 6.180 4.793 126 H TYR 16 H TYR 16 5.231 6.525 8.460 127 HA TYR 16 HA TYR 16 7.499 7.881 7.167 128 HB2 TYR 16 2HB TYR 16 6.520 8.205 9.920 129 HB3 TYR 16 1HB TYR 16 8.241 7.862 9.790 130 HD1 TYR 16 2HD TYR 16 9.606 9.306 8.216 131 HD2 TYR 16 1HD TYR 16 5.751 10.413 9.618 132 HE1 TYR 16 2HE TYR 16 10.102 11.638 7.679 133 HE2 TYR 16 1HE TYR 16 6.238 12.766 9.101 134 HH TYR 16 HH TYR 16 8.868 13.734 7.189 135 H ILE 17 H ILE 17 9.269 6.683 6.946 136 HA ILE 17 HA ILE 17 9.806 4.471 8.731 137 HB ILE 17 HB ILE 17 10.337 2.951 6.725 138 HG12 ILE 17 2HG1 ILE 17 8.320 4.802 5.445 139 HG13 ILE 17 1HG1 ILE 17 9.990 4.567 4.941 140 HG21 ILE 17 1HG2 ILE 17 7.482 3.460 7.540 141 HG22 ILE 17 2HG2 ILE 17 8.645 2.417 8.358 142 HG23 ILE 17 3HG2 ILE 17 8.072 2.000 6.743 143 HD11 ILE 17 3HD1 ILE 17 7.859 2.440 4.905 144 HD12 ILE 17 1HD1 ILE 17 9.511 2.288 4.309 145 HD13 ILE 17 2HD1 ILE 17 8.385 3.387 3.509 146 HA PRO 18 HA PRO 18 13.902 5.838 8.292 147 HB2 PRO 18 2HB PRO 18 15.303 3.484 8.470 148 HB3 PRO 18 1HB PRO 18 14.609 4.346 9.847 149 HG2 PRO 18 2HG PRO 18 13.556 1.984 8.355 150 HG3 PRO 18 1HG PRO 18 13.518 2.322 10.095 151 HD2 PRO 18 2HD PRO 18 11.359 2.658 8.514 152 HD3 PRO 18 1HD PRO 18 11.679 3.697 9.917 153 H GLN 19 H GLN 19 16.000 5.484 7.172 154 HA GLN 19 HA GLN 19 15.667 5.581 4.400 155 HB2 GLN 19 2HB GLN 19 18.160 5.454 4.296 156 HB3 GLN 19 1HB GLN 19 17.547 6.691 5.383 157 HG2 GLN 19 2HG GLN 19 18.266 5.593 7.262 158 HG3 GLN 19 1HG GLN 19 18.226 4.009 6.485 159 HE21 GLN 19 1HE2 GLN 19 19.986 3.297 5.347 160 HE22 GLN 19 2HE2 GLN 19 21.496 4.151 5.290 161 H GLU 20 H GLU 20 16.594 2.930 6.516 162 HA GLU 20 HA GLU 20 17.593 1.130 4.669 163 HB2 GLU 20 2HB GLU 20 15.970 0.563 7.153 164 HB3 GLU 20 1HB GLU 20 16.933 -0.626 6.285 165 HG2 GLU 20 2HG GLU 20 17.975 1.853 7.640 166 HG3 GLU 20 1HG GLU 20 18.115 0.198 8.238 167 H TRP 21 H TRP 21 14.272 1.962 5.384 168 HA TRP 21 HA TRP 21 13.163 -0.214 3.857 169 HB2 TRP 21 2HB TRP 21 11.966 2.297 5.027 170 HB3 TRP 21 1HB TRP 21 11.029 1.156 4.069 171 HD1 TRP 21 HD TRP 21 13.480 0.523 7.035 172 HE1 TRP 21 1HE TRP 21 12.206 -0.866 8.796 173 HE3 TRP 21 3HE TRP 21 8.958 0.254 4.694 174 HZ2 TRP 21 2HZ TRP 21 9.597 -1.937 9.124 175 HZ3 TRP 21 3HZ TRP 21 7.130 -0.959 5.784 176 HH2 TRP 21 HH TRP 21 7.438 -2.022 7.948 177 H HIS 22 H HIS 22 13.493 3.293 3.446 178 HA HIS 22 HA HIS 22 12.282 3.425 0.920 179 HB2 HIS 22 2HB HIS 22 14.238 5.210 2.339 180 HB3 HIS 22 1HB HIS 22 13.696 5.571 0.701 181 HD1 HIS 22 1HD HIS 22 11.532 6.783 0.472 182 HD2 HIS 22 2HD HIS 22 12.039 5.144 4.264 183 HE1 HIS 22 1HE HIS 22 9.597 7.624 1.842 184 HE2 HIS 22 2HE HIS 22 10.033 6.776 4.173 185 H ASP 23 H ASP 23 15.599 2.797 1.865 186 HA ASP 23 HA ASP 23 16.776 2.952 -0.680 187 HB2 ASP 23 2HB ASP 23 18.015 2.930 1.478 188 HB3 ASP 23 1HB ASP 23 17.623 1.223 1.653 189 H ARG 24 H ARG 24 15.732 0.036 1.142 190 HA ARG 24 HA ARG 24 16.359 -1.653 -1.101 191 HB2 ARG 24 2HB ARG 24 15.089 -2.162 1.575 192 HB3 ARG 24 1HB ARG 24 15.154 -3.416 0.347 193 HG2 ARG 24 2HG ARG 24 16.967 -3.702 1.896 194 HG3 ARG 24 1HG ARG 24 17.612 -3.228 0.323 195 HD2 ARG 24 2HD ARG 24 18.113 -1.064 1.057 196 HD3 ARG 24 1HD ARG 24 17.067 -1.206 2.468 197 HE ARG 24 HE ARG 24 19.201 -3.104 2.527 198 HH11 ARG 24 1HH1 ARG 24 18.522 0.295 3.005 199 HH12 ARG 24 2HH1 ARG 24 19.661 0.486 4.304 200 HH21 ARG 24 1HH2 ARG 24 20.728 -2.857 4.220 201 HH22 ARG 24 2HH2 ARG 24 20.904 -1.314 4.999 202 H LEU 25 H LEU 25 13.364 -0.449 0.350 203 HA LEU 25 HA LEU 25 11.619 -2.038 -1.196 204 HB2 LEU 25 2HB LEU 25 11.324 0.431 0.446 205 HB3 LEU 25 1HB LEU 25 10.029 0.022 -0.660 206 HG LEU 25 HG LEU 25 9.553 -0.798 1.584 207 HD11 LEU 25 1HD1 LEU 25 10.180 -3.010 -0.364 208 HD12 LEU 25 2HD1 LEU 25 8.693 -2.063 -0.300 209 HD13 LEU 25 3HD1 LEU 25 9.110 -3.143 1.032 210 HD21 LEU 25 3HD2 LEU 25 12.065 -2.441 1.285 211 HD22 LEU 25 1HD2 LEU 25 10.898 -2.569 2.601 212 HD23 LEU 25 2HD2 LEU 25 11.836 -1.089 2.394 213 H MET 26 H MET 26 12.695 1.342 -1.627 214 HA MET 26 HA MET 26 11.232 1.675 -4.023 215 HB2 MET 26 2HB MET 26 13.504 3.241 -2.833 216 HB3 MET 26 1HB MET 26 12.744 3.681 -4.358 217 HG2 MET 26 2HG MET 26 11.320 3.420 -1.719 218 HG3 MET 26 1HG MET 26 11.848 4.936 -2.449 219 HE1 MET 26 3HE MET 26 11.253 4.304 -5.542 220 HE2 MET 26 1HE MET 26 10.871 5.852 -4.789 221 HE3 MET 26 2HE MET 26 9.642 4.999 -5.722 222 H GLU 27 H GLU 27 14.390 0.317 -3.389 223 HA GLU 27 HA GLU 27 15.351 0.428 -6.041 224 HB2 GLU 27 2HB GLU 27 16.696 -0.223 -4.020 225 HB3 GLU 27 1HB GLU 27 15.860 -1.769 -4.023 226 HG2 GLU 27 2HG GLU 27 18.059 -1.928 -5.050 227 HG3 GLU 27 1HG GLU 27 16.776 -2.286 -6.207 228 H ILE 28 H ILE 28 13.474 -2.020 -4.308 229 HA ILE 28 HA ILE 28 13.022 -3.752 -6.498 230 HB ILE 28 HB ILE 28 11.178 -3.230 -4.152 231 HG12 ILE 28 2HG1 ILE 28 13.393 -5.279 -4.405 232 HG13 ILE 28 1HG1 ILE 28 13.500 -3.797 -3.461 233 HG21 ILE 28 1HG2 ILE 28 10.403 -5.526 -4.562 234 HG22 ILE 28 2HG2 ILE 28 11.450 -5.615 -5.979 235 HG23 ILE 28 3HG2 ILE 28 10.109 -4.469 -5.943 236 HD11 ILE 28 3HD1 ILE 28 11.713 -4.564 -2.012 237 HD12 ILE 28 1HD1 ILE 28 13.020 -5.748 -2.070 238 HD13 ILE 28 2HD1 ILE 28 11.535 -6.028 -2.980 239 H ALA 29 H ALA 29 11.449 -0.881 -5.298 240 HA ALA 29 HA ALA 29 9.150 -0.916 -6.924 241 HB1 ALA 29 1HB ALA 29 10.552 1.438 -5.674 242 HB2 ALA 29 2HB ALA 29 9.330 0.432 -4.898 243 HB3 ALA 29 3HB ALA 29 8.901 1.421 -6.294 244 H LYS 30 H LYS 30 12.439 -0.044 -7.603 245 HA LYS 30 HA LYS 30 11.847 1.597 -9.881 246 HB2 LYS 30 2HB LYS 30 14.408 0.146 -9.174 247 HB3 LYS 30 1HB LYS 30 14.241 1.388 -10.407 248 HG2 LYS 30 2HG LYS 30 13.858 3.069 -8.778 249 HG3 LYS 30 1HG LYS 30 13.704 1.868 -7.489 250 HD2 LYS 30 2HD LYS 30 16.058 1.188 -7.939 251 HD3 LYS 30 1HD LYS 30 16.178 2.532 -9.076 252 HE2 LYS 30 2HE LYS 30 15.733 4.109 -7.282 253 HE3 LYS 30 1HE LYS 30 15.544 2.779 -6.137 254 HZ1 LYS 30 3HZ LYS 30 17.743 3.716 -5.958 255 HZ2 LYS 30 1HZ LYS 30 18.025 3.484 -7.615 256 HZ3 LYS 30 2HZ LYS 30 17.854 2.146 -6.585 257 H GLU 31 H GLU 31 12.880 -1.709 -9.320 258 HA GLU 31 HA GLU 31 13.086 -2.526 -11.988 259 HB2 GLU 31 2HB GLU 31 12.478 -4.087 -9.480 260 HB3 GLU 31 1HB GLU 31 12.759 -4.844 -11.042 261 HG2 GLU 31 2HG GLU 31 14.717 -3.044 -9.638 262 HG3 GLU 31 1HG GLU 31 14.754 -4.807 -9.591 263 H LYS 32 H LYS 32 10.281 -2.553 -9.807 264 HA LYS 32 HA LYS 32 8.702 -3.800 -11.925 265 HB2 LYS 32 2HB LYS 32 8.161 -3.397 -8.995 266 HB3 LYS 32 1HB LYS 32 6.906 -3.913 -10.111 267 HG2 LYS 32 2HG LYS 32 7.677 -5.908 -9.241 268 HG3 LYS 32 1HG LYS 32 8.556 -5.780 -10.762 269 HD2 LYS 32 2HD LYS 32 10.325 -4.570 -9.198 270 HD3 LYS 32 1HD LYS 32 9.537 -5.560 -7.969 271 HE2 LYS 32 2HE LYS 32 10.901 -6.497 -10.485 272 HE3 LYS 32 1HE LYS 32 11.408 -6.780 -8.823 273 HZ1 LYS 32 3HZ LYS 32 9.479 -8.164 -8.478 274 HZ2 LYS 32 1HZ LYS 32 10.344 -8.716 -9.829 275 HZ3 LYS 32 2HZ LYS 32 8.913 -7.837 -10.046 276 H ASN 33 H ASN 33 9.441 -0.752 -11.030 277 HA ASN 33 HA ASN 33 8.639 1.309 -11.505 278 HB2 ASN 33 2HB ASN 33 6.816 -0.254 -13.328 279 HB3 ASN 33 1HB ASN 33 6.824 1.502 -13.251 280 HD21 ASN 33 1HD2 ASN 33 9.777 1.437 -12.751 281 HD22 ASN 33 2HD2 ASN 33 10.476 1.154 -14.306 282 H LEU 34 H LEU 34 7.943 0.716 -9.163 283 HA LEU 34 HA LEU 34 5.124 1.505 -8.881 284 HB2 LEU 34 2HB LEU 34 6.589 -0.567 -7.229 285 HB3 LEU 34 1HB LEU 34 4.985 0.048 -6.877 286 HG LEU 34 HG LEU 34 5.700 -1.477 -9.383 287 HD11 LEU 34 1HD1 LEU 34 5.939 -2.892 -7.409 288 HD12 LEU 34 2HD1 LEU 34 4.521 -3.356 -8.351 289 HD13 LEU 34 3HD1 LEU 34 4.327 -2.424 -6.868 290 HD21 LEU 34 3HD2 LEU 34 3.042 -0.680 -8.197 291 HD22 LEU 34 1HD2 LEU 34 3.276 -1.671 -9.637 292 HD23 LEU 34 2HD2 LEU 34 3.789 0.016 -9.636 293 H THR 35 H THR 35 4.729 2.522 -6.718 294 HA THR 35 HA THR 35 7.201 3.693 -5.622 295 HB THR 35 HB THR 35 5.781 5.404 -4.572 296 HG1 THR 35 1HG THR 35 3.631 4.130 -5.978 297 HG21 THR 35 3HG2 THR 35 6.671 5.885 -6.782 298 HG22 THR 35 1HG2 THR 35 5.062 6.584 -6.610 299 HG23 THR 35 2HG2 THR 35 5.284 5.100 -7.536 300 H LEU 36 H LEU 36 7.383 3.770 -3.259 301 HA LEU 36 HA LEU 36 6.603 1.405 -1.961 302 HB2 LEU 36 2HB LEU 36 7.506 2.289 0.026 303 HB3 LEU 36 1HB LEU 36 8.504 2.893 -1.278 304 HG LEU 36 HG LEU 36 6.361 4.488 0.136 305 HD11 LEU 36 1HD1 LEU 36 9.363 4.575 0.415 306 HD12 LEU 36 2HD1 LEU 36 8.236 3.926 1.605 307 HD13 LEU 36 3HD1 LEU 36 8.211 5.646 1.214 308 HD21 LEU 36 3HD2 LEU 36 7.410 6.410 -0.977 309 HD22 LEU 36 1HD2 LEU 36 6.741 5.262 -2.138 310 HD23 LEU 36 2HD2 LEU 36 8.480 5.312 -1.849 311 H SER 37 H SER 37 4.962 4.437 -2.368 312 HA SER 37 HA SER 37 2.873 4.094 -0.545 313 HB2 SER 37 2HB SER 37 2.657 5.230 -3.344 314 HB3 SER 37 1HB SER 37 1.615 5.593 -1.966 315 HG SER 37 HG SER 37 2.966 7.148 -1.596 316 H ASP 38 H ASP 38 3.189 2.978 -3.910 317 HA ASP 38 HA ASP 38 0.762 1.533 -3.995 318 HB2 ASP 38 2HB ASP 38 3.311 1.110 -5.577 319 HB3 ASP 38 1HB ASP 38 1.786 0.306 -5.918 320 H VAL 39 H VAL 39 4.085 0.575 -3.253 321 HA VAL 39 HA VAL 39 3.565 -2.177 -2.936 322 HB VAL 39 HB VAL 39 5.753 -0.535 -1.640 323 HG11 VAL 39 1HG1 VAL 39 5.589 -3.506 -2.147 324 HG12 VAL 39 2HG1 VAL 39 5.471 -2.718 -0.575 325 HG13 VAL 39 3HG1 VAL 39 6.980 -2.644 -1.487 326 HG21 VAL 39 3HG2 VAL 39 5.710 -2.044 -4.253 327 HG22 VAL 39 1HG2 VAL 39 7.134 -1.292 -3.534 328 HG23 VAL 39 2HG2 VAL 39 5.777 -0.292 -4.054 329 H CYS 40 H CYS 40 3.246 0.534 -0.756 330 HA CYS 40 HA CYS 40 3.060 -0.974 1.641 331 HB2 CYS 40 2HB CYS 40 3.518 1.580 1.234 332 HB3 CYS 40 1HB CYS 40 1.760 1.726 1.300 333 HG CYS 40 HG CYS 40 2.967 -0.006 3.859 334 H ARG 41 H ARG 41 0.512 0.561 -0.369 335 HA ARG 41 HA ARG 41 -1.604 -0.700 0.962 336 HB2 ARG 41 2HB ARG 41 -2.942 -0.138 -1.080 337 HB3 ARG 41 1HB ARG 41 -2.116 1.215 -0.335 338 HG2 ARG 41 2HG ARG 41 -1.699 1.633 -2.525 339 HG3 ARG 41 1HG ARG 41 -0.277 0.671 -2.120 340 HD2 ARG 41 2HD ARG 41 -1.076 -0.178 -4.170 341 HD3 ARG 41 1HD ARG 41 -1.564 -1.343 -2.937 342 HE ARG 41 HE ARG 41 -3.710 0.335 -3.186 343 HH11 ARG 41 1HH1 ARG 41 -1.858 -1.652 -5.371 344 HH12 ARG 41 2HH1 ARG 41 -3.177 -1.945 -6.457 345 HH21 ARG 41 1HH2 ARG 41 -5.483 -0.031 -4.612 346 HH22 ARG 41 2HH2 ARG 41 -5.241 -1.014 -6.033 347 H LEU 42 H LEU 42 0.469 -1.812 -1.672 348 HA LEU 42 HA LEU 42 -1.049 -4.160 -2.243 349 HB2 LEU 42 2HB LEU 42 1.892 -3.566 -2.595 350 HB3 LEU 42 1HB LEU 42 1.119 -5.032 -3.167 351 HG LEU 42 HG LEU 42 0.426 -2.239 -4.080 352 HD11 LEU 42 1HD1 LEU 42 2.646 -2.910 -4.827 353 HD12 LEU 42 2HD1 LEU 42 1.512 -2.891 -6.177 354 HD13 LEU 42 3HD1 LEU 42 1.992 -4.425 -5.451 355 HD21 LEU 42 3HD2 LEU 42 -0.485 -4.944 -5.072 356 HD22 LEU 42 1HD2 LEU 42 -0.882 -3.390 -5.805 357 HD23 LEU 42 2HD2 LEU 42 -1.468 -3.777 -4.187 358 H ALA 43 H ALA 43 1.122 -3.216 0.224 359 HA ALA 43 HA ALA 43 1.890 -5.776 1.121 360 HB1 ALA 43 1HB ALA 43 1.874 -3.147 2.578 361 HB2 ALA 43 2HB ALA 43 3.201 -3.798 1.616 362 HB3 ALA 43 3HB ALA 43 2.708 -4.609 3.102 363 H ILE 44 H ILE 44 -0.533 -3.429 2.291 364 HA ILE 44 HA ILE 44 -1.560 -5.172 4.288 365 HB ILE 44 HB ILE 44 -3.663 -3.585 3.981 366 HG12 ILE 44 2HG1 ILE 44 -1.396 -1.971 2.790 367 HG13 ILE 44 1HG1 ILE 44 -2.834 -2.516 1.931 368 HG21 ILE 44 1HG2 ILE 44 -2.413 -3.693 5.992 369 HG22 ILE 44 2HG2 ILE 44 -2.533 -1.991 5.544 370 HG23 ILE 44 3HG2 ILE 44 -1.037 -2.879 5.255 371 HD11 ILE 44 3HD1 ILE 44 -3.021 -0.174 2.538 372 HD12 ILE 44 1HD1 ILE 44 -2.792 -0.585 4.239 373 HD13 ILE 44 2HD1 ILE 44 -4.231 -1.139 3.383 374 H LYS 45 H LYS 45 -2.069 -4.850 0.910 375 HA LYS 45 HA LYS 45 -4.507 -6.149 0.612 376 HB2 LYS 45 2HB LYS 45 -3.405 -5.120 -1.274 377 HB3 LYS 45 1HB LYS 45 -2.028 -6.199 -1.116 378 HG2 LYS 45 2HG LYS 45 -3.506 -8.101 -1.699 379 HG3 LYS 45 1HG LYS 45 -4.820 -6.949 -1.966 380 HD2 LYS 45 2HD LYS 45 -3.479 -5.828 -3.683 381 HD3 LYS 45 1HD LYS 45 -2.175 -6.986 -3.423 382 HE2 LYS 45 2HE LYS 45 -3.610 -8.804 -4.156 383 HE3 LYS 45 1HE LYS 45 -4.964 -7.687 -4.343 384 HZ1 LYS 45 3HZ LYS 45 -2.432 -7.688 -5.905 385 HZ2 LYS 45 1HZ LYS 45 -3.628 -6.491 -6.016 386 HZ3 LYS 45 2HZ LYS 45 -3.981 -8.083 -6.475 387 H GLU 46 H GLU 46 -1.223 -7.580 0.593 388 HA GLU 46 HA GLU 46 -2.266 -10.253 0.717 389 HB2 GLU 46 2HB GLU 46 -0.069 -9.682 -0.344 390 HB3 GLU 46 1HB GLU 46 0.563 -9.330 1.260 391 HG2 GLU 46 2HG GLU 46 0.217 -11.611 1.948 392 HG3 GLU 46 1HG GLU 46 -0.551 -11.990 0.408 393 H TYR 47 H TYR 47 -1.373 -7.797 2.940 394 HA TYR 47 HA TYR 47 -0.909 -9.298 5.241 395 HB2 TYR 47 2HB TYR 47 -0.387 -6.949 5.170 396 HB3 TYR 47 1HB TYR 47 -2.065 -6.537 4.862 397 HD1 TYR 47 2HD TYR 47 0.296 -7.760 7.420 398 HD2 TYR 47 1HD TYR 47 -3.608 -6.262 6.648 399 HE1 TYR 47 2HE TYR 47 -0.052 -7.438 9.832 400 HE2 TYR 47 1HE TYR 47 -3.965 -5.936 9.056 401 HH TYR 47 HH TYR 47 -1.481 -6.016 11.310 402 H LEU 48 H LEU 48 -3.908 -7.984 3.882 403 HA LEU 48 HA LEU 48 -5.631 -9.015 5.879 404 HB2 LEU 48 2HB LEU 48 -6.281 -8.501 2.973 405 HB3 LEU 48 1HB LEU 48 -7.431 -8.632 4.289 406 HG LEU 48 HG LEU 48 -5.415 -6.422 3.887 407 HD11 LEU 48 1HD1 LEU 48 -7.385 -5.025 3.550 408 HD12 LEU 48 2HD1 LEU 48 -8.424 -6.440 3.718 409 HD13 LEU 48 3HD1 LEU 48 -7.307 -6.322 2.359 410 HD21 LEU 48 3HD2 LEU 48 -7.451 -6.823 6.075 411 HD22 LEU 48 1HD2 LEU 48 -6.506 -5.357 5.814 412 HD23 LEU 48 2HD2 LEU 48 -5.696 -6.860 6.251 413 H ASP 49 H ASP 49 -4.753 -10.159 2.660 414 HA ASP 49 HA ASP 49 -6.373 -12.438 2.624 415 HB2 ASP 49 2HB ASP 49 -5.387 -11.345 0.640 416 HB3 ASP 49 1HB ASP 49 -3.803 -11.944 1.117 417 H ASN 50 H ASN 50 -3.370 -11.918 4.220 418 HA ASN 50 HA ASN 50 -2.488 -14.639 4.124 419 HB2 ASN 50 2HB ASN 50 -1.058 -12.511 4.414 420 HB3 ASN 50 1HB ASN 50 -1.513 -12.606 6.112 421 HD21 ASN 50 1HD2 ASN 50 1.082 -12.881 4.783 422 HD22 ASN 50 2HD2 ASN 50 1.707 -14.413 5.287 423 H HIS 51 H HIS 51 -3.605 -12.603 6.875 424 HA HIS 51 HA HIS 51 -4.092 -15.080 8.341 425 HB2 HIS 51 2HB HIS 51 -4.518 -13.592 10.315 426 HB3 HIS 51 1HB HIS 51 -2.891 -13.523 9.660 427 HD1 HIS 51 1HD HIS 51 -6.133 -11.504 9.362 428 HD2 HIS 51 2HD HIS 51 -1.995 -11.014 9.414 429 HE1 HIS 51 1HE HIS 51 -5.736 -9.025 9.276 430 HE2 HIS 51 2HE HIS 51 -3.254 -8.766 9.594 431 H ASP 52 H ASP 52 -5.844 -12.983 6.431 432 HA ASP 52 HA ASP 52 -8.335 -14.159 7.461 433 HB2 ASP 52 2HB ASP 52 -7.826 -11.287 6.717 434 HB3 ASP 52 1HB ASP 52 -9.439 -11.975 6.562 435 H LYS 53 H LYS 53 -7.854 -15.743 5.877 436 HA LYS 53 HA LYS 53 -7.622 -15.011 3.106 437 HB2 LYS 53 2HB LYS 53 -6.477 -16.985 4.204 438 HB3 LYS 53 1HB LYS 53 -8.049 -17.765 4.281 439 HG2 LYS 53 2HG LYS 53 -6.964 -18.637 2.379 440 HG3 LYS 53 1HG LYS 53 -8.174 -17.500 1.776 441 HD2 LYS 53 2HD LYS 53 -6.422 -15.782 1.569 442 HD3 LYS 53 1HD LYS 53 -5.226 -16.956 2.119 443 HE2 LYS 53 2HE LYS 53 -5.827 -18.384 0.178 444 HE3 LYS 53 1HE LYS 53 -6.891 -17.098 -0.388 445 HZ1 LYS 53 3HZ LYS 53 -4.802 -16.939 -1.514 446 HZ2 LYS 53 1HZ LYS 53 -3.948 -16.942 -0.049 447 HZ3 LYS 53 2HZ LYS 53 -4.928 -15.622 -0.448 448 H GLN 54 H GLN 54 -10.079 -16.269 5.254 449 HA GLN 54 HA GLN 54 -11.961 -16.673 3.078 450 HB2 GLN 54 2HB GLN 54 -12.294 -17.010 6.064 451 HB3 GLN 54 1HB GLN 54 -13.474 -17.479 4.848 452 HG2 GLN 54 2HG GLN 54 -11.958 -19.125 3.949 453 HG3 GLN 54 1HG GLN 54 -10.690 -18.602 5.056 454 HE21 GLN 54 1HE2 GLN 54 -11.921 -21.224 4.710 455 HE22 GLN 54 2HE2 GLN 54 -12.556 -21.656 6.262 456 H LYS 55 H LYS 55 -13.184 -15.089 2.333 457 HA LYS 55 HA LYS 55 -14.434 -13.232 4.176 458 HB2 LYS 55 2HB LYS 55 -13.809 -11.225 3.024 459 HB3 LYS 55 1HB LYS 55 -12.339 -12.086 3.436 460 HG2 LYS 55 2HG LYS 55 -13.603 -12.204 0.708 461 HG3 LYS 55 1HG LYS 55 -12.393 -11.007 1.167 462 HD2 LYS 55 2HD LYS 55 -10.958 -13.040 1.838 463 HD3 LYS 55 1HD LYS 55 -12.096 -13.978 0.872 464 HE2 LYS 55 2HE LYS 55 -10.421 -11.661 -0.081 465 HE3 LYS 55 1HE LYS 55 -10.159 -13.362 -0.453 466 HZ1 LYS 55 3HZ LYS 55 -12.438 -13.310 -1.497 467 HZ2 LYS 55 1HZ LYS 55 -11.234 -12.426 -2.303 468 HZ3 LYS 55 2HZ LYS 55 -12.385 -11.620 -1.354 469 H LYS 56 H LYS 56 -15.038 -15.484 2.333 470 HA LYS 56 HA LYS 56 -16.872 -14.201 0.447 471 HB2 LYS 56 2HB LYS 56 -15.363 -15.880 -0.510 472 HB3 LYS 56 1HB LYS 56 -15.938 -17.075 0.642 473 HG2 LYS 56 2HG LYS 56 -18.101 -17.121 -0.376 474 HG3 LYS 56 1HG LYS 56 -17.699 -15.751 -1.412 475 HD2 LYS 56 2HD LYS 56 -17.569 -17.832 -2.666 476 HD3 LYS 56 1HD LYS 56 -15.972 -17.101 -2.515 477 HE2 LYS 56 2HE LYS 56 -15.730 -19.441 -2.134 478 HE3 LYS 56 1HE LYS 56 -15.542 -18.626 -0.584 479 HZ1 LYS 56 3HZ LYS 56 -17.838 -19.200 -0.052 480 HZ2 LYS 56 1HZ LYS 56 -16.921 -20.589 -0.375 481 HZ3 LYS 56 2HZ LYS 56 -18.001 -19.996 -1.542 482 H1 GLY 2 1HT GLY 2 18.741 15.360 18.290 483 H2 GLY 2 2HT GLY 2 17.416 16.410 18.415 484 H3 GLY 2 3HT GLY 2 18.885 16.972 17.783 485 HA2 GLY 2 1HA GLY 2 17.196 14.876 16.540 486 HA3 GLY 2 2HA GLY 2 17.225 16.563 16.044 487 H ARG 3 H ARG 3 17.758 15.137 14.030 488 HA ARG 3 HA ARG 3 19.242 14.463 12.441 489 HB2 ARG 3 2HB ARG 3 20.599 16.744 13.810 490 HB3 ARG 3 1HB ARG 3 21.484 15.843 12.589 491 HG2 ARG 3 2HG ARG 3 18.776 17.025 12.061 492 HG3 ARG 3 1HG ARG 3 20.273 17.929 11.823 493 HD2 ARG 3 2HD ARG 3 19.443 15.375 10.449 494 HD3 ARG 3 1HD ARG 3 19.619 16.973 9.720 495 HE ARG 3 HE ARG 3 22.038 16.048 10.951 496 HH11 ARG 3 1HH1 ARG 3 20.143 15.916 7.975 497 HH12 ARG 3 2HH1 ARG 3 21.504 15.413 7.009 498 HH21 ARG 3 1HH2 ARG 3 23.783 15.431 9.677 499 HH22 ARG 3 2HH2 ARG 3 23.573 15.150 7.973 500 HA PRO 4 HA PRO 4 21.444 11.508 15.325 501 HB2 PRO 4 2HB PRO 4 20.580 9.680 13.145 502 HB3 PRO 4 1HB PRO 4 20.482 9.471 14.895 503 HG2 PRO 4 2HG PRO 4 18.298 10.003 13.456 504 HG3 PRO 4 1HG PRO 4 18.527 10.701 15.070 505 HD2 PRO 4 2HD PRO 4 18.868 11.978 12.387 506 HD3 PRO 4 1HD PRO 4 18.197 12.658 13.885 507 H TYR 5 H TYR 5 21.384 10.978 11.793 508 HA TYR 5 HA TYR 5 24.068 11.985 11.568 509 HB2 TYR 5 2HB TYR 5 24.997 9.977 10.484 510 HB3 TYR 5 1HB TYR 5 24.579 9.695 12.167 511 HD1 TYR 5 2HD TYR 5 23.693 8.945 8.680 512 HD2 TYR 5 1HD TYR 5 22.861 8.123 12.767 513 HE1 TYR 5 2HE TYR 5 22.408 6.959 8.011 514 HE2 TYR 5 1HE TYR 5 21.575 6.132 12.113 515 HH TYR 5 HH TYR 5 21.710 4.803 9.006 516 H LYS 6 H LYS 6 21.140 10.777 10.130 517 HA LYS 6 HA LYS 6 21.627 12.526 7.852 518 HB2 LYS 6 2HB LYS 6 22.362 10.352 7.048 519 HB3 LYS 6 1HB LYS 6 20.862 9.612 7.584 520 HG2 LYS 6 2HG LYS 6 19.607 10.856 5.946 521 HG3 LYS 6 1HG LYS 6 21.055 11.736 5.460 522 HD2 LYS 6 2HD LYS 6 20.725 8.745 5.236 523 HD3 LYS 6 1HD LYS 6 20.437 9.883 3.915 524 HE2 LYS 6 2HE LYS 6 22.765 10.644 4.091 525 HE3 LYS 6 1HE LYS 6 23.043 9.475 5.383 526 HZ1 LYS 6 3HZ LYS 6 22.319 8.836 2.570 527 HZ2 LYS 6 1HZ LYS 6 22.517 7.695 3.810 528 HZ3 LYS 6 2HZ LYS 6 23.836 8.619 3.289 529 H LEU 7 H LEU 7 20.013 13.893 7.971 530 HA LEU 7 HA LEU 7 17.950 14.804 8.186 531 HB2 LEU 7 2HB LEU 7 17.283 12.090 7.080 532 HB3 LEU 7 1HB LEU 7 16.012 13.217 7.497 533 HG LEU 7 HG LEU 7 17.017 14.855 5.894 534 HD11 LEU 7 1HD1 LEU 7 19.292 13.982 5.836 535 HD12 LEU 7 2HD1 LEU 7 18.588 14.050 4.222 536 HD13 LEU 7 3HD1 LEU 7 18.712 12.505 5.064 537 HD21 LEU 7 3HD2 LEU 7 15.107 13.507 5.270 538 HD22 LEU 7 1HD2 LEU 7 16.167 12.183 4.787 539 HD23 LEU 7 2HD2 LEU 7 16.189 13.701 3.892 540 H LEU 8 H LEU 8 15.570 12.977 8.866 541 HA LEU 8 HA LEU 8 15.947 13.042 11.757 542 HB2 LEU 8 2HB LEU 8 13.486 12.277 10.182 543 HB3 LEU 8 1HB LEU 8 13.564 12.629 11.897 544 HG LEU 8 HG LEU 8 14.018 14.624 9.675 545 HD11 LEU 8 1HD1 LEU 8 11.894 15.580 10.426 546 HD12 LEU 8 2HD1 LEU 8 11.706 14.252 11.572 547 HD13 LEU 8 3HD1 LEU 8 11.694 13.929 9.839 548 HD21 LEU 8 3HD2 LEU 8 13.893 14.995 12.663 549 HD22 LEU 8 1HD2 LEU 8 13.991 16.288 11.468 550 HD23 LEU 8 2HD2 LEU 8 15.330 15.155 11.653 551 H ASN 9 H ASN 9 16.963 11.004 9.606 552 HA ASN 9 HA ASN 9 17.243 8.787 9.288 553 HB2 ASN 9 2HB ASN 9 17.122 9.114 12.176 554 HB3 ASN 9 1HB ASN 9 16.580 7.515 11.669 555 HD21 ASN 9 1HD2 ASN 9 18.006 6.124 10.695 556 HD22 ASN 9 2HD2 ASN 9 19.714 6.391 10.668 557 H GLY 10 H GLY 10 14.725 10.005 8.793 558 HA2 GLY 10 2HA GLY 10 13.160 7.634 8.341 559 HA3 GLY 10 1HA GLY 10 12.419 8.775 9.462 560 H ILE 11 H ILE 11 11.774 7.908 6.633 561 HA ILE 11 HA ILE 11 11.955 10.555 5.341 562 HB ILE 11 HB ILE 11 11.993 7.881 3.909 563 HG12 ILE 11 2HG1 ILE 11 14.344 8.725 3.231 564 HG13 ILE 11 1HG1 ILE 11 14.204 9.804 4.613 565 HG21 ILE 11 1HG2 ILE 11 12.469 9.186 1.909 566 HG22 ILE 11 2HG2 ILE 11 12.359 10.676 2.846 567 HG23 ILE 11 3HG2 ILE 11 10.931 9.664 2.627 568 HD11 ILE 11 3HD1 ILE 11 13.941 7.878 6.089 569 HD12 ILE 11 1HD1 ILE 11 15.457 7.809 5.186 570 HD13 ILE 11 2HD1 ILE 11 14.095 6.797 4.701 571 H LYS 12 H LYS 12 10.165 11.149 4.005 572 HA LYS 12 HA LYS 12 7.708 10.100 5.204 573 HB2 LYS 12 2HB LYS 12 8.166 12.463 5.581 574 HB3 LYS 12 1HB LYS 12 8.302 12.740 3.854 575 HG2 LYS 12 2HG LYS 12 6.168 13.518 4.820 576 HG3 LYS 12 1HG LYS 12 5.962 12.319 3.544 577 HD2 LYS 12 2HD LYS 12 5.393 10.632 5.068 578 HD3 LYS 12 1HD LYS 12 6.031 11.539 6.440 579 HE2 LYS 12 2HE LYS 12 3.531 11.463 6.288 580 HE3 LYS 12 1HE LYS 12 4.229 13.077 6.373 581 HZ1 LYS 12 3HZ LYS 12 3.431 11.778 3.824 582 HZ2 LYS 12 1HZ LYS 12 3.858 13.398 4.070 583 HZ3 LYS 12 2HZ LYS 12 2.410 12.794 4.714 584 H LEU 13 H LEU 13 6.367 8.992 4.078 585 HA LEU 13 HA LEU 13 6.386 9.188 1.148 586 HB2 LEU 13 2HB LEU 13 5.713 6.759 1.173 587 HB3 LEU 13 1HB LEU 13 7.371 7.088 1.632 588 HG LEU 13 HG LEU 13 5.293 6.791 3.771 589 HD11 LEU 13 1HD1 LEU 13 6.699 4.507 2.386 590 HD12 LEU 13 2HD1 LEU 13 4.974 4.864 2.290 591 HD13 LEU 13 3HD1 LEU 13 5.691 4.386 3.829 592 HD21 LEU 13 3HD2 LEU 13 8.237 6.131 3.590 593 HD22 LEU 13 1HD2 LEU 13 7.221 5.909 5.014 594 HD23 LEU 13 2HD2 LEU 13 7.533 7.533 4.401 595 H GLY 14 H GLY 14 4.299 8.400 0.197 596 HA2 GLY 14 2HA GLY 14 2.043 8.828 2.011 597 HA3 GLY 14 1HA GLY 14 2.202 9.881 0.613 598 H VAL 15 H VAL 15 0.628 7.296 1.733 599 HA VAL 15 HA VAL 15 0.475 5.942 -0.870 600 HB VAL 15 HB VAL 15 -0.514 4.936 1.821 601 HG11 VAL 15 1HG1 VAL 15 -1.704 3.961 -0.072 602 HG12 VAL 15 2HG1 VAL 15 -0.671 2.768 0.717 603 HG13 VAL 15 3HG1 VAL 15 -0.168 3.499 -0.805 604 HG21 VAL 15 3HG2 VAL 15 2.017 4.267 0.333 605 HG22 VAL 15 1HG2 VAL 15 1.429 3.435 1.771 606 HG23 VAL 15 2HG2 VAL 15 1.894 5.134 1.864 607 H TYR 16 H TYR 16 -1.668 5.422 -1.684 608 HA TYR 16 HA TYR 16 -3.829 7.055 -0.521 609 HB2 TYR 16 2HB TYR 16 -2.663 7.933 -2.714 610 HB3 TYR 16 1HB TYR 16 -3.628 6.674 -3.481 611 HD1 TYR 16 2HD TYR 16 -6.186 6.690 -2.550 612 HD2 TYR 16 1HD TYR 16 -3.579 10.035 -2.779 613 HE1 TYR 16 2HE TYR 16 -8.119 8.189 -2.563 614 HE2 TYR 16 1HE TYR 16 -5.513 11.549 -2.797 615 HH TYR 16 HH TYR 16 -8.707 10.475 -2.102 616 H ILE 17 H ILE 17 -5.595 5.862 -0.112 617 HA ILE 17 HA ILE 17 -6.101 3.458 -1.678 618 HB ILE 17 HB ILE 17 -6.433 2.055 0.325 619 HG12 ILE 17 2HG1 ILE 17 -5.060 4.290 1.821 620 HG13 ILE 17 1HG1 ILE 17 -6.762 3.863 1.974 621 HG21 ILE 17 1HG2 ILE 17 -4.079 1.619 0.776 622 HG22 ILE 17 2HG2 ILE 17 -3.651 3.176 0.066 623 HG23 ILE 17 3HG2 ILE 17 -4.360 1.913 -0.940 624 HD11 ILE 17 3HD1 ILE 17 -6.167 1.689 2.852 625 HD12 ILE 17 1HD1 ILE 17 -5.397 2.959 3.802 626 HD13 ILE 17 2HD1 ILE 17 -4.454 2.040 2.625 627 HA PRO 18 HA PRO 18 -10.268 4.582 -1.570 628 HB2 PRO 18 2HB PRO 18 -11.523 2.154 -1.330 629 HB3 PRO 18 1HB PRO 18 -10.800 2.759 -2.822 630 HG2 PRO 18 2HG PRO 18 -9.678 0.857 -0.803 631 HG3 PRO 18 1HG PRO 18 -9.615 0.776 -2.575 632 HD2 PRO 18 2HD PRO 18 -7.512 1.605 -1.138 633 HD3 PRO 18 1HD PRO 18 -7.905 2.336 -2.709 634 H GLN 19 H GLN 19 -12.269 4.646 -0.436 635 HA GLN 19 HA GLN 19 -12.032 4.991 2.344 636 HB2 GLN 19 2HB GLN 19 -13.672 6.273 1.194 637 HB3 GLN 19 1HB GLN 19 -14.425 4.837 0.516 638 HG2 GLN 19 2HG GLN 19 -15.739 5.875 2.324 639 HG3 GLN 19 1HG GLN 19 -15.293 4.202 2.654 640 HE21 GLN 19 1HE2 GLN 19 -15.503 4.395 4.844 641 HE22 GLN 19 2HE2 GLN 19 -14.403 5.300 5.825 642 H GLU 20 H GLU 20 -13.500 2.375 0.444 643 HA GLU 20 HA GLU 20 -14.575 0.787 2.422 644 HB2 GLU 20 2HB GLU 20 -13.097 0.042 -0.103 645 HB3 GLU 20 1HB GLU 20 -13.900 -1.149 0.909 646 HG2 GLU 20 2HG GLU 20 -15.393 1.220 -0.132 647 HG3 GLU 20 1HG GLU 20 -15.132 -0.205 -1.141 648 H TRP 21 H TRP 21 -11.257 1.122 1.428 649 HA TRP 21 HA TRP 21 -10.293 -1.102 2.966 650 HB2 TRP 21 2HB TRP 21 -9.475 -0.085 0.700 651 HB3 TRP 21 1HB TRP 21 -8.604 1.048 1.725 652 HD1 TRP 21 HD TRP 21 -8.405 -2.027 3.596 653 HE1 TRP 21 1HE TRP 21 -6.217 -3.285 3.090 654 HE3 TRP 21 3HE TRP 21 -7.059 0.399 -0.678 655 HZ2 TRP 21 2HZ TRP 21 -4.190 -3.240 1.125 656 HZ3 TRP 21 3HZ TRP 21 -4.981 -0.252 -1.809 657 HH2 TRP 21 HH TRP 21 -3.565 -2.021 -0.916 658 H HIS 22 H HIS 22 -10.488 2.381 3.223 659 HA HIS 22 HA HIS 22 -8.920 2.701 5.560 660 HB2 HIS 22 2HB HIS 22 -10.967 4.323 4.134 661 HB3 HIS 22 1HB HIS 22 -10.677 4.713 5.826 662 HD1 HIS 22 1HD HIS 22 -8.940 6.402 6.190 663 HD2 HIS 22 2HD HIS 22 -8.369 4.340 2.620 664 HE1 HIS 22 1HE HIS 22 -6.957 7.490 5.087 665 HE2 HIS 22 2HE HIS 22 -6.705 6.306 2.875 666 H ASP 23 H ASP 23 -12.389 2.249 5.036 667 HA ASP 23 HA ASP 23 -13.300 2.603 7.614 668 HB2 ASP 23 2HB ASP 23 -14.653 2.335 5.496 669 HB3 ASP 23 1HB ASP 23 -14.424 0.597 5.656 670 H ARG 24 H ARG 24 -12.247 -0.454 6.088 671 HA ARG 24 HA ARG 24 -12.834 -1.977 8.452 672 HB2 ARG 24 2HB ARG 24 -11.420 -2.618 5.879 673 HB3 ARG 24 1HB ARG 24 -11.388 -3.747 7.223 674 HG2 ARG 24 2HG ARG 24 -13.129 -4.375 5.702 675 HG3 ARG 24 1HG ARG 24 -13.856 -3.794 7.201 676 HD2 ARG 24 2HD ARG 24 -14.352 -1.668 6.188 677 HD3 ARG 24 1HD ARG 24 -13.489 -2.126 4.721 678 HE ARG 24 HE ARG 24 -15.604 -3.946 5.322 679 HH11 ARG 24 1HH1 ARG 24 -14.921 -0.794 3.965 680 HH12 ARG 24 2HH1 ARG 24 -16.311 -0.791 2.919 681 HH21 ARG 24 1HH2 ARG 24 -17.420 -3.958 3.947 682 HH22 ARG 24 2HH2 ARG 24 -17.739 -2.591 2.921 683 H LEU 25 H LEU 25 -9.819 -0.787 6.982 684 HA LEU 25 HA LEU 25 -8.145 -2.048 8.887 685 HB2 LEU 25 2HB LEU 25 -7.755 0.034 6.797 686 HB3 LEU 25 1HB LEU 25 -6.522 -0.139 8.032 687 HG LEU 25 HG LEU 25 -5.999 -1.414 5.985 688 HD11 LEU 25 1HD1 LEU 25 -6.545 -3.118 8.413 689 HD12 LEU 25 2HD1 LEU 25 -5.101 -2.148 8.126 690 HD13 LEU 25 3HD1 LEU 25 -5.455 -3.530 7.089 691 HD21 LEU 25 3HD2 LEU 25 -8.451 -3.017 6.707 692 HD22 LEU 25 1HD2 LEU 25 -7.271 -3.446 5.468 693 HD23 LEU 25 2HD2 LEU 25 -8.255 -1.995 5.283 694 H MET 26 H MET 26 -9.532 1.205 8.716 695 HA MET 26 HA MET 26 -8.155 2.201 10.966 696 HB2 MET 26 2HB MET 26 -10.763 3.055 9.722 697 HB3 MET 26 1HB MET 26 -9.978 3.923 11.034 698 HG2 MET 26 2HG MET 26 -8.789 3.412 8.314 699 HG3 MET 26 1HG MET 26 -9.523 4.922 8.847 700 HE1 MET 26 3HE MET 26 -7.043 6.066 11.667 701 HE2 MET 26 1HE MET 26 -8.478 5.065 11.889 702 HE3 MET 26 2HE MET 26 -8.524 6.442 10.788 703 H GLU 27 H GLU 27 -11.078 0.286 10.652 704 HA GLU 27 HA GLU 27 -12.000 0.547 13.298 705 HB2 GLU 27 2HB GLU 27 -13.067 -0.656 11.257 706 HB3 GLU 27 1HB GLU 27 -12.109 -2.039 11.759 707 HG2 GLU 27 2HG GLU 27 -14.263 -2.329 12.673 708 HG3 GLU 27 1HG GLU 27 -13.206 -1.859 14.006 709 H ILE 28 H ILE 28 -9.716 -1.692 11.807 710 HA ILE 28 HA ILE 28 -8.983 -3.096 14.156 711 HB ILE 28 HB ILE 28 -7.338 -2.608 11.661 712 HG12 ILE 28 2HG1 ILE 28 -9.174 -4.910 12.351 713 HG13 ILE 28 1HG1 ILE 28 -9.546 -3.628 11.203 714 HG21 ILE 28 1HG2 ILE 28 -6.147 -4.652 12.297 715 HG22 ILE 28 2HG2 ILE 28 -7.099 -4.741 13.780 716 HG23 ILE 28 3HG2 ILE 28 -5.986 -3.397 13.525 717 HD11 ILE 28 3HD1 ILE 28 -8.833 -5.672 10.087 718 HD12 ILE 28 1HD1 ILE 28 -7.298 -5.613 10.951 719 HD13 ILE 28 2HD1 ILE 28 -7.703 -4.349 9.789 720 H ALA 29 H ALA 29 -7.857 -0.168 12.609 721 HA ALA 29 HA ALA 29 -5.506 0.261 14.084 722 HB1 ALA 29 1HB ALA 29 -7.306 2.315 12.801 723 HB2 ALA 29 2HB ALA 29 -6.034 1.413 11.979 724 HB3 ALA 29 3HB ALA 29 -5.620 2.547 13.265 725 H LYS 30 H LYS 30 -8.851 0.782 14.899 726 HA LYS 30 HA LYS 30 -8.310 2.562 17.091 727 HB2 LYS 30 2HB LYS 30 -10.716 0.776 16.705 728 HB3 LYS 30 1HB LYS 30 -10.605 2.174 17.760 729 HG2 LYS 30 2HG LYS 30 -10.556 3.660 15.892 730 HG3 LYS 30 1HG LYS 30 -10.438 2.302 14.761 731 HD2 LYS 30 2HD LYS 30 -12.614 1.474 15.608 732 HD3 LYS 30 1HD LYS 30 -12.737 2.916 16.612 733 HE2 LYS 30 2HE LYS 30 -12.814 4.321 14.666 734 HE3 LYS 30 1HE LYS 30 -12.509 2.940 13.608 735 HZ1 LYS 30 3HZ LYS 30 -14.870 3.526 13.676 736 HZ2 LYS 30 1HZ LYS 30 -14.893 3.264 15.354 737 HZ3 LYS 30 2HZ LYS 30 -14.600 1.969 14.299 738 H GLU 31 H GLU 31 -9.306 -0.807 16.809 739 HA GLU 31 HA GLU 31 -9.243 -1.378 19.552 740 HB2 GLU 31 2HB GLU 31 -8.863 -3.364 17.312 741 HB3 GLU 31 1HB GLU 31 -9.500 -3.681 18.921 742 HG2 GLU 31 2HG GLU 31 -10.800 -2.044 16.758 743 HG3 GLU 31 1HG GLU 31 -11.296 -3.638 17.322 744 H LYS 32 H LYS 32 -6.708 -1.481 17.128 745 HA LYS 32 HA LYS 32 -4.903 -2.823 18.999 746 HB2 LYS 32 2HB LYS 32 -4.898 -2.345 16.074 747 HB3 LYS 32 1HB LYS 32 -3.332 -2.383 16.864 748 HG2 LYS 32 2HG LYS 32 -3.602 -4.568 16.186 749 HG3 LYS 32 1HG LYS 32 -4.147 -4.628 17.859 750 HD2 LYS 32 2HD LYS 32 -6.145 -4.132 15.703 751 HD3 LYS 32 1HD LYS 32 -5.527 -5.766 15.934 752 HE2 LYS 32 2HE LYS 32 -6.851 -4.064 18.041 753 HE3 LYS 32 1HE LYS 32 -7.607 -5.392 17.165 754 HZ1 LYS 32 3HZ LYS 32 -6.922 -6.211 19.260 755 HZ2 LYS 32 1HZ LYS 32 -5.365 -5.556 19.102 756 HZ3 LYS 32 2HZ LYS 32 -5.842 -6.853 18.119 757 H ASN 33 H ASN 33 -5.829 0.275 18.425 758 HA ASN 33 HA ASN 33 -4.992 2.346 18.817 759 HB2 ASN 33 2HB ASN 33 -3.203 0.665 20.534 760 HB3 ASN 33 1HB ASN 33 -2.898 2.389 20.369 761 HD21 ASN 33 1HD2 ASN 33 -3.338 2.848 22.476 762 HD22 ASN 33 2HD2 ASN 33 -4.942 2.787 23.146 763 H LEU 34 H LEU 34 -4.235 1.138 16.431 764 HA LEU 34 HA LEU 34 -1.497 2.141 15.999 765 HB2 LEU 34 2HB LEU 34 -3.111 0.151 14.390 766 HB3 LEU 34 1HB LEU 34 -1.522 0.744 13.942 767 HG LEU 34 HG LEU 34 -2.131 -0.872 16.417 768 HD11 LEU 34 1HD1 LEU 34 -2.408 -2.195 14.397 769 HD12 LEU 34 2HD1 LEU 34 -0.953 -2.680 15.268 770 HD13 LEU 34 3HD1 LEU 34 -0.822 -1.675 13.825 771 HD21 LEU 34 3HD2 LEU 34 -0.237 0.628 16.710 772 HD22 LEU 34 1HD2 LEU 34 0.487 0.017 15.222 773 HD23 LEU 34 2HD2 LEU 34 0.298 -1.051 16.613 774 H THR 35 H THR 35 -1.154 3.171 13.831 775 HA THR 35 HA THR 35 -3.589 4.542 12.924 776 HB THR 35 HB THR 35 -2.186 6.182 11.840 777 HG1 THR 35 1HG THR 35 0.132 4.841 12.821 778 HG21 THR 35 3HG2 THR 35 -2.591 6.532 14.227 779 HG22 THR 35 1HG2 THR 35 -1.006 7.149 13.758 780 HG23 THR 35 2HG2 THR 35 -1.136 5.613 14.613 781 H LEU 36 H LEU 36 -3.915 4.690 10.573 782 HA LEU 36 HA LEU 36 -3.651 2.260 9.247 783 HB2 LEU 36 2HB LEU 36 -4.360 3.393 7.244 784 HB3 LEU 36 1HB LEU 36 -5.279 3.984 8.607 785 HG LEU 36 HG LEU 36 -2.947 5.467 7.388 786 HD11 LEU 36 1HD1 LEU 36 -5.904 5.815 6.940 787 HD12 LEU 36 2HD1 LEU 36 -4.732 5.225 5.761 788 HD13 LEU 36 3HD1 LEU 36 -4.641 6.889 6.342 789 HD21 LEU 36 3HD2 LEU 36 -5.097 6.312 9.333 790 HD22 LEU 36 1HD2 LEU 36 -3.930 7.398 8.578 791 HD23 LEU 36 2HD2 LEU 36 -3.375 6.136 9.676 792 H SER 37 H SER 37 -1.604 5.106 9.226 793 HA SER 37 HA SER 37 0.234 4.448 7.266 794 HB2 SER 37 2HB SER 37 0.915 5.751 9.909 795 HB3 SER 37 1HB SER 37 1.709 5.992 8.352 796 HG SER 37 HG SER 37 0.276 7.440 7.881 797 H ASP 38 H ASP 38 0.235 3.577 10.710 798 HA ASP 38 HA ASP 38 2.656 2.136 10.698 799 HB2 ASP 38 2HB ASP 38 0.233 1.918 12.501 800 HB3 ASP 38 1HB ASP 38 1.713 1.005 12.760 801 H VAL 39 H VAL 39 -0.696 1.145 10.207 802 HA VAL 39 HA VAL 39 -0.235 -1.623 10.258 803 HB VAL 39 HB VAL 39 -2.427 -0.151 8.785 804 HG11 VAL 39 1HG1 VAL 39 -2.191 -2.473 8.060 805 HG12 VAL 39 2HG1 VAL 39 -3.676 -2.240 8.981 806 HG13 VAL 39 3HG1 VAL 39 -2.283 -3.010 9.738 807 HG21 VAL 39 3HG2 VAL 39 -2.358 0.434 11.158 808 HG22 VAL 39 1HG2 VAL 39 -2.379 -1.276 11.585 809 HG23 VAL 39 2HG2 VAL 39 -3.774 -0.550 10.787 810 H CYS 40 H CYS 40 -0.244 0.673 7.529 811 HA CYS 40 HA CYS 40 -0.046 -1.341 5.553 812 HB2 CYS 40 2HB CYS 40 0.915 1.498 5.195 813 HB3 CYS 40 1HB CYS 40 0.341 0.380 3.971 814 HG CYS 40 HG CYS 40 -1.639 1.726 6.415 815 H ARG 41 H ARG 41 2.510 0.871 6.790 816 HA ARG 41 HA ARG 41 4.599 -0.485 5.535 817 HB2 ARG 41 2HB ARG 41 6.108 0.650 7.133 818 HB3 ARG 41 1HB ARG 41 4.969 1.727 6.345 819 HG2 ARG 41 2HG ARG 41 4.846 2.516 8.463 820 HG3 ARG 41 1HG ARG 41 3.571 1.300 8.533 821 HD2 ARG 41 2HD ARG 41 5.014 -0.257 9.635 822 HD3 ARG 41 1HD ARG 41 6.420 0.783 9.381 823 HE ARG 41 HE ARG 41 4.398 2.136 10.851 824 HH11 ARG 41 1HH1 ARG 41 6.931 -0.258 11.202 825 HH12 ARG 41 2HH1 ARG 41 7.133 0.023 12.902 826 HH21 ARG 41 1HH2 ARG 41 4.681 2.530 13.071 827 HH22 ARG 41 2HH2 ARG 41 5.886 1.632 13.958 828 H LEU 42 H LEU 42 3.077 -1.180 8.675 829 HA LEU 42 HA LEU 42 5.005 -3.109 9.480 830 HB2 LEU 42 2HB LEU 42 2.102 -2.734 10.188 831 HB3 LEU 42 1HB LEU 42 3.055 -4.049 10.844 832 HG LEU 42 HG LEU 42 3.678 -1.118 11.206 833 HD11 LEU 42 1HD1 LEU 42 2.512 -3.118 13.141 834 HD12 LEU 42 2HD1 LEU 42 1.639 -1.785 12.384 835 HD13 LEU 42 3HD1 LEU 42 2.955 -1.451 13.510 836 HD21 LEU 42 3HD2 LEU 42 4.900 -3.578 12.455 837 HD22 LEU 42 1HD2 LEU 42 5.310 -1.907 12.842 838 HD23 LEU 42 2HD2 LEU 42 5.659 -2.553 11.238 839 H ALA 43 H ALA 43 2.215 -3.170 7.412 840 HA ALA 43 HA ALA 43 2.171 -5.990 7.051 841 HB1 ALA 43 1HB ALA 43 0.212 -4.589 6.632 842 HB2 ALA 43 2HB ALA 43 0.653 -5.528 5.207 843 HB3 ALA 43 3HB ALA 43 1.055 -3.811 5.293 844 H ILE 44 H ILE 44 4.077 -3.411 5.752 845 HA ILE 44 HA ILE 44 4.945 -4.688 3.374 846 HB ILE 44 HB ILE 44 6.346 -2.631 5.098 847 HG12 ILE 44 2HG1 ILE 44 4.875 -2.400 2.463 848 HG13 ILE 44 1HG1 ILE 44 4.304 -1.822 4.024 849 HG21 ILE 44 1HG2 ILE 44 7.994 -3.930 3.853 850 HG22 ILE 44 2HG2 ILE 44 7.877 -2.291 3.216 851 HG23 ILE 44 3HG2 ILE 44 7.116 -3.628 2.354 852 HD11 ILE 44 3HD1 ILE 44 6.178 -0.241 4.114 853 HD12 ILE 44 1HD1 ILE 44 5.155 0.015 2.699 854 HD13 ILE 44 2HD1 ILE 44 6.710 -0.802 2.528 855 H LYS 45 H LYS 45 6.200 -4.543 6.681 856 HA LYS 45 HA LYS 45 8.363 -6.274 6.313 857 HB2 LYS 45 2HB LYS 45 8.040 -4.932 8.364 858 HB3 LYS 45 1HB LYS 45 6.676 -5.955 8.806 859 HG2 LYS 45 2HG LYS 45 8.214 -7.897 8.860 860 HG3 LYS 45 1HG LYS 45 9.556 -6.798 8.551 861 HD2 LYS 45 2HD LYS 45 9.102 -5.626 10.630 862 HD3 LYS 45 1HD LYS 45 7.700 -6.660 10.926 863 HE2 LYS 45 2HE LYS 45 9.181 -8.620 10.995 864 HE3 LYS 45 1HE LYS 45 10.572 -7.570 10.731 865 HZ1 LYS 45 3HZ LYS 45 8.751 -7.520 13.077 866 HZ2 LYS 45 1HZ LYS 45 10.029 -6.433 12.817 867 HZ3 LYS 45 2HZ LYS 45 10.352 -8.080 13.054 868 H GLU 46 H GLU 46 4.958 -6.912 6.905 869 HA GLU 46 HA GLU 46 5.193 -9.714 7.310 870 HB2 GLU 46 2HB GLU 46 3.218 -8.346 7.976 871 HB3 GLU 46 1HB GLU 46 2.834 -8.122 6.279 872 HG2 GLU 46 2HG GLU 46 1.403 -9.809 7.119 873 HG3 GLU 46 1HG GLU 46 2.590 -10.596 6.081 874 H TYR 47 H TYR 47 4.605 -7.665 4.516 875 HA TYR 47 HA TYR 47 4.134 -9.690 2.633 876 HB2 TYR 47 2HB TYR 47 3.663 -7.225 2.372 877 HB3 TYR 47 1HB TYR 47 5.386 -6.986 2.112 878 HD1 TYR 47 2HD TYR 47 2.271 -8.267 0.692 879 HD2 TYR 47 1HD TYR 47 6.436 -7.697 0.020 880 HE1 TYR 47 2HE TYR 47 1.938 -8.694 -1.703 881 HE2 TYR 47 1HE TYR 47 6.109 -8.119 -2.380 882 HH TYR 47 HH TYR 47 2.956 -8.329 -3.795 883 H LEU 48 H LEU 48 7.083 -8.014 3.629 884 HA LEU 48 HA LEU 48 8.839 -9.380 1.873 885 HB2 LEU 48 2HB LEU 48 9.450 -8.136 4.558 886 HB3 LEU 48 1HB LEU 48 10.631 -8.585 3.344 887 HG LEU 48 HG LEU 48 8.545 -6.421 3.073 888 HD11 LEU 48 1HD1 LEU 48 10.475 -4.911 3.083 889 HD12 LEU 48 2HD1 LEU 48 11.540 -6.284 3.387 890 HD13 LEU 48 3HD1 LEU 48 10.338 -5.817 4.590 891 HD21 LEU 48 3HD2 LEU 48 9.660 -5.883 0.967 892 HD22 LEU 48 1HD2 LEU 48 8.985 -7.512 0.934 893 HD23 LEU 48 2HD2 LEU 48 10.719 -7.279 1.163 894 H ASP 49 H ASP 49 7.787 -9.960 5.167 895 HA ASP 49 HA ASP 49 9.594 -11.908 5.959 896 HB2 ASP 49 2HB ASP 49 7.833 -10.648 7.321 897 HB3 ASP 49 1HB ASP 49 6.691 -11.869 6.774 898 H ASN 50 H ASN 50 6.496 -12.291 4.285 899 HA ASN 50 HA ASN 50 6.558 -15.141 4.485 900 HB2 ASN 50 2HB ASN 50 4.746 -13.225 3.031 901 HB3 ASN 50 1HB ASN 50 4.571 -14.973 2.886 902 HD21 ASN 50 1HD2 ASN 50 4.377 -12.244 5.042 903 HD22 ASN 50 2HD2 ASN 50 3.481 -13.039 6.290 904 H HIS 51 H HIS 51 7.644 -12.852 2.044 905 HA HIS 51 HA HIS 51 7.968 -15.079 0.178 906 HB2 HIS 51 2HB HIS 51 8.193 -13.584 -1.572 907 HB3 HIS 51 1HB HIS 51 7.099 -12.719 -0.504 908 HD1 HIS 51 1HD HIS 51 10.761 -12.753 -1.522 909 HD2 HIS 51 2HD HIS 51 7.939 -10.216 0.192 910 HE1 HIS 51 1HE HIS 51 11.860 -10.494 -1.414 911 HE2 HIS 51 2HE HIS 51 10.074 -8.947 -0.549 912 H ASP 52 H ASP 52 9.805 -13.150 2.358 913 HA ASP 52 HA ASP 52 12.202 -14.668 1.647 914 HB2 ASP 52 2HB ASP 52 12.399 -12.522 0.449 915 HB3 ASP 52 1HB ASP 52 12.176 -11.661 1.969 916 H LYS 53 H LYS 53 12.355 -15.784 3.473 917 HA LYS 53 HA LYS 53 12.184 -14.353 6.038 918 HB2 LYS 53 2HB LYS 53 10.626 -16.305 5.554 919 HB3 LYS 53 1HB LYS 53 12.047 -17.338 5.574 920 HG2 LYS 53 2HG LYS 53 10.955 -17.491 7.691 921 HG3 LYS 53 1HG LYS 53 12.471 -16.612 7.908 922 HD2 LYS 53 2HD LYS 53 11.340 -14.530 8.038 923 HD3 LYS 53 1HD LYS 53 9.818 -15.248 7.505 924 HE2 LYS 53 2HE LYS 53 9.756 -16.588 9.567 925 HE3 LYS 53 1HE LYS 53 11.254 -15.818 10.095 926 HZ1 LYS 53 3HZ LYS 53 8.751 -14.350 9.488 927 HZ2 LYS 53 1HZ LYS 53 10.165 -13.717 10.174 928 HZ3 LYS 53 2HZ LYS 53 9.222 -14.819 11.049 929 H GLN 54 H GLN 54 14.413 -15.183 3.878 930 HA GLN 54 HA GLN 54 16.183 -16.701 5.619 931 HB2 GLN 54 2HB GLN 54 16.427 -15.964 2.703 932 HB3 GLN 54 1HB GLN 54 17.568 -16.970 3.589 933 HG2 GLN 54 2HG GLN 54 15.754 -18.569 4.052 934 HG3 GLN 54 1HG GLN 54 14.669 -17.578 3.079 935 HE21 GLN 54 1HE2 GLN 54 15.497 -20.342 2.728 936 HE22 GLN 54 2HE2 GLN 54 16.222 -20.428 1.150 937 H LYS 55 H LYS 55 16.025 -14.360 6.756 938 HA LYS 55 HA LYS 55 18.235 -12.698 5.930 939 HB2 LYS 55 2HB LYS 55 17.857 -11.427 7.985 940 HB3 LYS 55 1HB LYS 55 16.351 -11.649 7.110 941 HG2 LYS 55 2HG LYS 55 16.911 -13.669 9.177 942 HG3 LYS 55 1HG LYS 55 16.654 -12.026 9.765 943 HD2 LYS 55 2HD LYS 55 14.534 -11.956 8.463 944 HD3 LYS 55 1HD LYS 55 14.769 -13.653 8.057 945 HE2 LYS 55 2HE LYS 55 14.386 -12.469 10.795 946 HE3 LYS 55 1HE LYS 55 13.270 -13.515 9.919 947 HZ1 LYS 55 3HZ LYS 55 15.079 -15.245 9.999 948 HZ2 LYS 55 1HZ LYS 55 14.379 -14.854 11.496 949 HZ3 LYS 55 2HZ LYS 55 15.898 -14.233 11.088 950 H LYS 56 H LYS 56 17.586 -15.301 8.129 951 HA LYS 56 HA LYS 56 20.414 -15.924 8.126 952 HB2 LYS 56 2HB LYS 56 20.046 -14.647 10.253 953 HB3 LYS 56 1HB LYS 56 18.852 -15.853 10.722 954 HG2 LYS 56 2HG LYS 56 20.788 -17.542 10.348 955 HG3 LYS 56 1HG LYS 56 21.818 -16.116 10.496 956 HD2 LYS 56 2HD LYS 56 21.566 -17.239 12.648 957 HD3 LYS 56 1HD LYS 56 20.836 -15.634 12.685 958 HE2 LYS 56 2HE LYS 56 19.471 -17.425 13.775 959 HE3 LYS 56 1HE LYS 56 18.642 -16.540 12.496 960 HZ1 LYS 56 3HZ LYS 56 18.949 -18.346 11.001 961 HZ2 LYS 56 1HZ LYS 56 18.319 -18.990 12.440 962 HZ3 LYS 56 2HZ LYS 56 19.968 -19.168 12.085 Start of MODEL 6 1 H1 GLY 2 1HT GLY 2 -13.835 20.058 -0.108 2 H2 GLY 2 2HT GLY 2 -12.977 21.495 -0.363 3 H3 GLY 2 3HT GLY 2 -12.414 20.362 0.764 4 HA2 GLY 2 1HA GLY 2 -12.610 19.939 -2.167 5 HA3 GLY 2 2HA GLY 2 -11.127 20.294 -1.293 6 H ARG 3 H ARG 3 -11.329 18.058 -2.860 7 HA ARG 3 HA ARG 3 -11.110 15.799 -2.927 8 HB2 ARG 3 2HB ARG 3 -10.318 16.200 -0.039 9 HB3 ARG 3 1HB ARG 3 -10.047 14.730 -0.963 10 HG2 ARG 3 2HG ARG 3 -8.581 15.924 -2.485 11 HG3 ARG 3 1HG ARG 3 -8.893 17.432 -1.622 12 HD2 ARG 3 2HD ARG 3 -7.549 14.969 -0.514 13 HD3 ARG 3 1HD ARG 3 -6.775 16.504 -0.915 14 HE ARG 3 HE ARG 3 -8.890 16.848 0.960 15 HH11 ARG 3 1HH1 ARG 3 -5.534 15.844 0.701 16 HH12 ARG 3 2HH1 ARG 3 -5.179 16.237 2.353 17 HH21 ARG 3 1HH2 ARG 3 -8.402 17.357 3.109 18 HH22 ARG 3 2HH2 ARG 3 -6.790 17.102 3.712 19 HA PRO 4 HA PRO 4 -15.360 15.168 -1.226 20 HB2 PRO 4 2HB PRO 4 -15.577 13.640 -3.750 21 HB3 PRO 4 1HB PRO 4 -16.644 14.886 -3.095 22 HG2 PRO 4 2HG PRO 4 -15.055 15.388 -5.185 23 HG3 PRO 4 1HG PRO 4 -15.363 16.616 -3.942 24 HD2 PRO 4 2HD PRO 4 -12.967 14.857 -4.318 25 HD3 PRO 4 1HD PRO 4 -13.042 16.578 -3.883 26 H TYR 5 H TYR 5 -16.081 13.398 -0.126 27 HA TYR 5 HA TYR 5 -14.269 11.146 0.024 28 HB2 TYR 5 2HB TYR 5 -15.391 10.514 2.010 29 HB3 TYR 5 1HB TYR 5 -15.349 12.271 2.057 30 HD1 TYR 5 1HD TYR 5 -17.458 13.539 1.409 31 HD2 TYR 5 2HD TYR 5 -17.434 9.344 2.116 32 HE1 TYR 5 1HE TYR 5 -19.896 13.580 1.706 33 HE2 TYR 5 2HE TYR 5 -19.875 9.374 2.414 34 HH TYR 5 HH TYR 5 -21.793 11.976 1.480 35 H LYS 6 H LYS 6 -14.672 9.123 -0.626 36 HA LYS 6 HA LYS 6 -15.470 7.484 -1.957 37 HB2 LYS 6 2HB LYS 6 -17.048 7.249 -0.123 38 HB3 LYS 6 1HB LYS 6 -18.112 8.443 -0.862 39 HG2 LYS 6 2HG LYS 6 -18.719 7.028 -2.581 40 HG3 LYS 6 1HG LYS 6 -17.319 5.980 -2.347 41 HD2 LYS 6 2HD LYS 6 -18.259 5.193 -0.232 42 HD3 LYS 6 1HD LYS 6 -19.636 6.275 -0.430 43 HE2 LYS 6 2HE LYS 6 -18.909 4.005 -2.279 44 HE3 LYS 6 1HE LYS 6 -20.177 3.962 -1.055 45 HZ1 LYS 6 3HZ LYS 6 -20.080 5.658 -3.489 46 HZ2 LYS 6 1HZ LYS 6 -21.207 5.877 -2.240 47 HZ3 LYS 6 2HZ LYS 6 -21.195 4.432 -3.124 48 H LEU 7 H LEU 7 -14.723 8.737 -3.707 49 HA LEU 7 HA LEU 7 -16.712 9.033 -5.763 50 HB2 LEU 7 2HB LEU 7 -16.753 11.290 -4.870 51 HB3 LEU 7 1HB LEU 7 -15.003 11.377 -4.911 52 HG LEU 7 HG LEU 7 -15.071 11.265 -7.383 53 HD11 LEU 7 1HD1 LEU 7 -17.141 10.059 -7.688 54 HD12 LEU 7 2HD1 LEU 7 -17.220 11.611 -8.525 55 HD13 LEU 7 3HD1 LEU 7 -18.055 11.394 -6.986 56 HD21 LEU 7 3HD2 LEU 7 -15.921 13.527 -7.738 57 HD22 LEU 7 1HD2 LEU 7 -14.974 13.424 -6.253 58 HD23 LEU 7 2HD2 LEU 7 -16.735 13.472 -6.176 59 H LEU 8 H LEU 8 -13.380 9.944 -5.012 60 HA LEU 8 HA LEU 8 -12.397 8.735 -7.463 61 HB2 LEU 8 2HB LEU 8 -11.508 10.897 -6.661 62 HB3 LEU 8 1HB LEU 8 -10.955 10.123 -5.192 63 HG LEU 8 HG LEU 8 -9.423 8.713 -6.590 64 HD11 LEU 8 1HD1 LEU 8 -10.259 10.616 -8.770 65 HD12 LEU 8 2HD1 LEU 8 -10.628 8.892 -8.704 66 HD13 LEU 8 3HD1 LEU 8 -8.956 9.430 -8.870 67 HD21 LEU 8 3HD2 LEU 8 -8.627 10.701 -5.421 68 HD22 LEU 8 1HD2 LEU 8 -9.072 11.699 -6.803 69 HD23 LEU 8 2HD2 LEU 8 -7.796 10.495 -6.963 70 H ASN 9 H ASN 9 -13.218 7.776 -4.451 71 HA ASN 9 HA ASN 9 -12.678 6.195 -2.939 72 HB2 ASN 9 2HB ASN 9 -12.304 4.779 -5.561 73 HB3 ASN 9 1HB ASN 9 -12.098 3.937 -4.027 74 HD21 ASN 9 1HD2 ASN 9 -13.842 2.627 -4.188 75 HD22 ASN 9 2HD2 ASN 9 -15.479 3.192 -4.155 76 H GLY 10 H GLY 10 -10.777 7.906 -2.847 77 HA2 GLY 10 2HA GLY 10 -8.486 6.328 -2.120 78 HA3 GLY 10 1HA GLY 10 -8.194 7.446 -3.451 79 H ILE 11 H ILE 11 -8.015 7.082 -0.217 80 HA ILE 11 HA ILE 11 -8.423 9.943 0.346 81 HB ILE 11 HB ILE 11 -8.373 7.537 2.184 82 HG12 ILE 11 2HG1 ILE 11 -10.616 8.424 2.862 83 HG13 ILE 11 1HG1 ILE 11 -10.477 9.631 1.590 84 HG21 ILE 11 1HG2 ILE 11 -8.411 10.445 2.968 85 HG22 ILE 11 2HG2 ILE 11 -7.133 9.277 3.305 86 HG23 ILE 11 3HG2 ILE 11 -8.715 9.093 4.060 87 HD11 ILE 11 3HD1 ILE 11 -10.409 7.856 -0.085 88 HD12 ILE 11 1HD1 ILE 11 -11.881 7.785 0.887 89 HD13 ILE 11 2HD1 ILE 11 -10.565 6.646 1.192 90 H LYS 12 H LYS 12 -6.778 11.002 1.669 91 HA LYS 12 HA LYS 12 -4.157 10.147 0.691 92 HB2 LYS 12 2HB LYS 12 -4.757 12.339 -0.036 93 HB3 LYS 12 1HB LYS 12 -5.268 12.811 1.579 94 HG2 LYS 12 2HG LYS 12 -3.164 13.853 1.029 95 HG3 LYS 12 1HG LYS 12 -2.940 12.693 2.337 96 HD2 LYS 12 2HD LYS 12 -2.062 11.060 0.747 97 HD3 LYS 12 1HD LYS 12 -2.310 12.201 -0.576 98 HE2 LYS 12 2HE LYS 12 0.017 12.208 0.116 99 HE3 LYS 12 1HE LYS 12 -0.737 13.756 0.494 100 HZ1 LYS 12 3HZ LYS 12 -0.117 11.553 2.383 101 HZ2 LYS 12 1HZ LYS 12 -1.062 12.899 2.796 102 HZ3 LYS 12 2HZ LYS 12 0.560 13.109 2.352 103 H LEU 13 H LEU 13 -2.752 9.330 1.999 104 HA LEU 13 HA LEU 13 -2.744 10.111 4.824 105 HB2 LEU 13 2HB LEU 13 -2.072 7.777 5.397 106 HB3 LEU 13 1HB LEU 13 -3.720 7.933 4.829 107 HG LEU 13 HG LEU 13 -1.548 7.124 2.925 108 HD11 LEU 13 1HD1 LEU 13 -1.363 5.627 4.856 109 HD12 LEU 13 2HD1 LEU 13 -1.998 4.789 3.442 110 HD13 LEU 13 3HD1 LEU 13 -3.086 5.270 4.742 111 HD21 LEU 13 3HD2 LEU 13 -3.417 5.984 1.815 112 HD22 LEU 13 1HD2 LEU 13 -3.729 7.712 2.001 113 HD23 LEU 13 2HD2 LEU 13 -4.509 6.552 3.079 114 H GLY 14 H GLY 14 -0.656 9.621 5.878 115 HA2 GLY 14 2HA GLY 14 1.572 9.595 3.961 116 HA3 GLY 14 1HA GLY 14 1.495 10.831 5.214 117 H VAL 15 H VAL 15 2.928 8.046 4.446 118 HA VAL 15 HA VAL 15 2.842 6.900 7.153 119 HB VAL 15 HB VAL 15 3.877 5.656 4.588 120 HG11 VAL 15 1HG1 VAL 15 3.331 4.412 7.275 121 HG12 VAL 15 2HG1 VAL 15 4.921 4.721 6.574 122 HG13 VAL 15 3HG1 VAL 15 3.836 3.554 5.820 123 HG21 VAL 15 3HG2 VAL 15 1.252 5.213 6.002 124 HG22 VAL 15 1HG2 VAL 15 1.835 4.309 4.606 125 HG23 VAL 15 2HG2 VAL 15 1.477 6.028 4.455 126 H TYR 16 H TYR 16 4.854 6.256 8.135 127 HA TYR 16 HA TYR 16 7.225 7.656 7.072 128 HB2 TYR 16 2HB TYR 16 6.011 8.728 9.115 129 HB3 TYR 16 1HB TYR 16 6.698 7.376 10.011 130 HD1 TYR 16 1HD TYR 16 8.137 9.417 7.277 131 HD2 TYR 16 2HD TYR 16 8.372 8.279 11.363 132 HE1 TYR 16 1HE TYR 16 10.233 10.656 7.483 133 HE2 TYR 16 2HE TYR 16 10.480 9.523 11.595 134 HH TYR 16 HH TYR 16 12.304 10.336 10.165 135 H ILE 17 H ILE 17 8.839 6.272 6.734 136 HA ILE 17 HA ILE 17 9.105 3.955 8.492 137 HB ILE 17 HB ILE 17 9.389 2.362 6.711 138 HG12 ILE 17 2HG1 ILE 17 8.769 4.606 4.777 139 HG13 ILE 17 1HG1 ILE 17 10.340 3.830 4.983 140 HG21 ILE 17 1HG2 ILE 17 6.853 3.938 6.337 141 HG22 ILE 17 2HG2 ILE 17 7.136 2.658 7.517 142 HG23 ILE 17 3HG2 ILE 17 7.119 2.282 5.794 143 HD11 ILE 17 3HD1 ILE 17 9.268 1.669 4.331 144 HD12 ILE 17 1HD1 ILE 17 9.304 2.889 3.053 145 HD13 ILE 17 2HD1 ILE 17 7.811 2.583 3.939 146 HA PRO 18 HA PRO 18 13.324 4.811 8.681 147 HB2 PRO 18 2HB PRO 18 13.911 1.951 8.167 148 HB3 PRO 18 1HB PRO 18 14.335 2.958 9.555 149 HG2 PRO 18 2HG PRO 18 12.411 1.131 9.745 150 HG3 PRO 18 1HG PRO 18 12.244 2.711 10.535 151 HD2 PRO 18 2HD PRO 18 11.016 1.722 7.992 152 HD3 PRO 18 1HD PRO 18 10.293 2.701 9.288 153 H GLN 19 H GLN 19 15.440 4.623 7.686 154 HA GLN 19 HA GLN 19 15.345 5.100 4.886 155 HB2 GLN 19 2HB GLN 19 16.953 6.322 6.113 156 HB3 GLN 19 1HB GLN 19 17.580 4.880 6.890 157 HG2 GLN 19 2HG GLN 19 19.198 5.593 5.327 158 HG3 GLN 19 1HG GLN 19 18.447 4.147 4.670 159 HE21 GLN 19 1HE2 GLN 19 16.069 5.493 3.699 160 HE22 GLN 19 2HE2 GLN 19 16.562 6.435 2.338 161 H GLU 20 H GLU 20 16.535 2.454 6.893 162 HA GLU 20 HA GLU 20 17.649 0.797 4.982 163 HB2 GLU 20 2HB GLU 20 15.890 -0.224 7.211 164 HB3 GLU 20 1HB GLU 20 17.287 -1.010 6.495 165 HG2 GLU 20 2HG GLU 20 18.119 -0.284 8.506 166 HG3 GLU 20 1HG GLU 20 18.604 1.014 7.418 167 H TRP 21 H TRP 21 14.306 1.343 5.806 168 HA TRP 21 HA TRP 21 13.183 -0.687 4.140 169 HB2 TRP 21 2HB TRP 21 12.097 1.784 5.476 170 HB3 TRP 21 1HB TRP 21 11.109 0.834 4.377 171 HD1 TRP 21 HD TRP 21 13.414 -0.577 7.174 172 HE1 TRP 21 1HE TRP 21 11.898 -1.880 8.814 173 HE3 TRP 21 3HE TRP 21 8.904 0.461 5.056 174 HZ2 TRP 21 2HZ TRP 21 9.119 -2.386 9.133 175 HZ3 TRP 21 3HZ TRP 21 6.872 -0.449 6.074 176 HH2 TRP 21 HH TRP 21 6.975 -1.829 8.056 177 H HIS 22 H HIS 22 13.289 2.854 3.953 178 HA HIS 22 HA HIS 22 12.075 3.178 1.495 179 HB2 HIS 22 2HB HIS 22 12.900 4.921 3.273 180 HB3 HIS 22 1HB HIS 22 14.347 4.974 2.265 181 HD1 HIS 22 1HD HIS 22 14.179 6.210 0.023 182 HD2 HIS 22 2HD HIS 22 10.553 5.894 2.041 183 HE1 HIS 22 1HE HIS 22 12.588 7.737 -1.184 184 HE2 HIS 22 2HE HIS 22 10.466 7.688 0.178 185 H ASP 23 H ASP 23 15.504 2.652 2.198 186 HA ASP 23 HA ASP 23 16.494 3.039 -0.393 187 HB2 ASP 23 2HB ASP 23 17.852 2.868 1.715 188 HB3 ASP 23 1HB ASP 23 17.598 1.126 1.671 189 H ARG 24 H ARG 24 15.634 -0.032 1.249 190 HA ARG 24 HA ARG 24 16.158 -1.569 -1.115 191 HB2 ARG 24 2HB ARG 24 15.088 -2.134 1.605 192 HB3 ARG 24 1HB ARG 24 14.746 -3.301 0.338 193 HG2 ARG 24 2HG ARG 24 16.745 -3.841 1.697 194 HG3 ARG 24 1HG ARG 24 17.075 -3.693 -0.028 195 HD2 ARG 24 2HD ARG 24 18.078 -1.562 0.263 196 HD3 ARG 24 1HD ARG 24 17.513 -1.445 1.930 197 HE ARG 24 HE ARG 24 19.039 -3.623 2.075 198 HH11 ARG 24 1HH1 ARG 24 19.744 -0.533 0.523 199 HH12 ARG 24 2HH1 ARG 24 21.449 -0.645 0.843 200 HH21 ARG 24 1HH2 ARG 24 21.254 -3.741 2.484 201 HH22 ARG 24 2HH2 ARG 24 22.315 -2.460 1.958 202 H LEU 25 H LEU 25 13.313 -0.120 0.298 203 HA LEU 25 HA LEU 25 11.389 -1.422 -1.314 204 HB2 LEU 25 2HB LEU 25 11.452 0.979 0.426 205 HB3 LEU 25 1HB LEU 25 10.186 0.924 -0.785 206 HG LEU 25 HG LEU 25 9.462 0.083 1.436 207 HD11 LEU 25 1HD1 LEU 25 8.370 -1.936 0.603 208 HD12 LEU 25 2HD1 LEU 25 9.470 -1.962 -0.776 209 HD13 LEU 25 3HD1 LEU 25 8.324 -0.634 -0.585 210 HD21 LEU 25 3HD2 LEU 25 11.403 -2.159 0.887 211 HD22 LEU 25 1HD2 LEU 25 10.218 -2.117 2.192 212 HD23 LEU 25 2HD2 LEU 25 11.545 -0.953 2.164 213 H MET 26 H MET 26 13.224 1.590 -1.709 214 HA MET 26 HA MET 26 11.917 2.411 -4.069 215 HB2 MET 26 2HB MET 26 14.634 3.074 -2.963 216 HB3 MET 26 1HB MET 26 14.015 3.784 -4.447 217 HG2 MET 26 2HG MET 26 12.783 4.007 -1.713 218 HG3 MET 26 1HG MET 26 13.680 5.265 -2.563 219 HE1 MET 26 3HE MET 26 11.279 6.002 -5.596 220 HE2 MET 26 1HE MET 26 12.626 4.864 -5.539 221 HE3 MET 26 2HE MET 26 12.786 6.458 -4.801 222 H GLU 27 H GLU 27 14.605 0.199 -3.534 223 HA GLU 27 HA GLU 27 15.316 -0.063 -6.258 224 HB2 GLU 27 2HB GLU 27 16.736 -0.960 -4.477 225 HB3 GLU 27 1HB GLU 27 15.479 -2.107 -4.033 226 HG2 GLU 27 2HG GLU 27 15.714 -3.265 -6.118 227 HG3 GLU 27 1HG GLU 27 16.837 -2.046 -6.716 228 H ILE 28 H ILE 28 13.026 -1.821 -4.226 229 HA ILE 28 HA ILE 28 12.036 -3.570 -6.205 230 HB ILE 28 HB ILE 28 10.630 -2.449 -3.769 231 HG12 ILE 28 2HG1 ILE 28 12.134 -5.049 -4.141 232 HG13 ILE 28 1HG1 ILE 28 12.737 -3.645 -3.270 233 HG21 ILE 28 1HG2 ILE 28 9.956 -4.862 -5.449 234 HG22 ILE 28 2HG2 ILE 28 9.026 -3.367 -5.338 235 HG23 ILE 28 3HG2 ILE 28 9.173 -4.421 -3.931 236 HD11 ILE 28 3HD1 ILE 28 11.925 -5.315 -1.729 237 HD12 ILE 28 1HD1 ILE 28 10.347 -5.312 -2.516 238 HD13 ILE 28 2HD1 ILE 28 10.908 -3.877 -1.657 239 H ALA 29 H ALA 29 11.265 -0.294 -5.298 240 HA ALA 29 HA ALA 29 8.833 0.024 -6.659 241 HB1 ALA 29 1HB ALA 29 10.904 2.132 -6.062 242 HB2 ALA 29 2HB ALA 29 9.659 1.575 -4.943 243 HB3 ALA 29 3HB ALA 29 9.201 2.408 -6.429 244 H LYS 30 H LYS 30 12.176 0.336 -7.763 245 HA LYS 30 HA LYS 30 11.382 1.468 -10.293 246 HB2 LYS 30 2HB LYS 30 14.032 0.208 -9.584 247 HB3 LYS 30 1HB LYS 30 13.702 1.276 -10.942 248 HG2 LYS 30 2HG LYS 30 13.170 3.075 -9.299 249 HG3 LYS 30 1HG LYS 30 13.734 1.992 -8.023 250 HD2 LYS 30 2HD LYS 30 15.881 1.790 -9.388 251 HD3 LYS 30 1HD LYS 30 15.299 3.189 -10.292 252 HE2 LYS 30 2HE LYS 30 16.753 3.980 -8.578 253 HE3 LYS 30 1HE LYS 30 15.105 4.405 -8.118 254 HZ1 LYS 30 3HZ LYS 30 16.454 3.494 -6.280 255 HZ2 LYS 30 1HZ LYS 30 16.564 2.022 -7.111 256 HZ3 LYS 30 2HZ LYS 30 15.056 2.585 -6.584 257 H GLU 31 H GLU 31 12.408 -1.661 -9.088 258 HA GLU 31 HA GLU 31 12.657 -2.983 -11.538 259 HB2 GLU 31 2HB GLU 31 13.529 -3.813 -9.370 260 HB3 GLU 31 1HB GLU 31 11.881 -4.180 -8.875 261 HG2 GLU 31 2HG GLU 31 11.688 -5.747 -10.760 262 HG3 GLU 31 1HG GLU 31 13.366 -5.409 -11.185 263 H LYS 32 H LYS 32 9.848 -2.643 -9.382 264 HA LYS 32 HA LYS 32 8.237 -4.190 -11.265 265 HB2 LYS 32 2HB LYS 32 7.688 -3.181 -8.485 266 HB3 LYS 32 1HB LYS 32 6.411 -3.822 -9.504 267 HG2 LYS 32 2HG LYS 32 7.043 -5.626 -8.181 268 HG3 LYS 32 1HG LYS 32 7.870 -5.912 -9.711 269 HD2 LYS 32 2HD LYS 32 9.947 -5.125 -8.812 270 HD3 LYS 32 1HD LYS 32 9.158 -4.588 -7.328 271 HE2 LYS 32 2HE LYS 32 10.217 -6.632 -6.798 272 HE3 LYS 32 1HE LYS 32 8.502 -7.000 -6.960 273 HZ1 LYS 32 3HZ LYS 32 9.689 -8.685 -8.081 274 HZ2 LYS 32 1HZ LYS 32 10.669 -7.568 -8.899 275 HZ3 LYS 32 2HZ LYS 32 9.025 -7.701 -9.294 276 H ASN 33 H ASN 33 9.125 -1.059 -10.922 277 HA ASN 33 HA ASN 33 8.441 0.917 -11.801 278 HB2 ASN 33 2HB ASN 33 7.987 -0.698 -13.773 279 HB3 ASN 33 1HB ASN 33 6.291 -0.529 -13.335 280 HD21 ASN 33 1HD2 ASN 33 7.646 0.253 -15.761 281 HD22 ASN 33 2HD2 ASN 33 7.383 1.951 -15.943 282 H LEU 34 H LEU 34 7.603 0.605 -9.388 283 HA LEU 34 HA LEU 34 4.844 1.609 -9.316 284 HB2 LEU 34 2HB LEU 34 6.032 -0.513 -7.521 285 HB3 LEU 34 1HB LEU 34 4.513 0.307 -7.203 286 HG LEU 34 HG LEU 34 5.056 -1.416 -9.623 287 HD11 LEU 34 1HD1 LEU 34 3.638 -3.069 -8.537 288 HD12 LEU 34 2HD1 LEU 34 3.481 -2.027 -7.123 289 HD13 LEU 34 3HD1 LEU 34 5.050 -2.713 -7.541 290 HD21 LEU 34 3HD2 LEU 34 2.505 -0.197 -8.568 291 HD22 LEU 34 1HD2 LEU 34 2.638 -1.279 -9.954 292 HD23 LEU 34 2HD2 LEU 34 3.382 0.319 -10.009 293 H THR 35 H THR 35 4.411 2.665 -7.151 294 HA THR 35 HA THR 35 6.840 4.015 -6.193 295 HB THR 35 HB THR 35 4.159 4.874 -5.229 296 HG1 THR 35 1HG THR 35 3.594 4.640 -7.348 297 HG21 THR 35 3HG2 THR 35 6.196 6.066 -4.577 298 HG22 THR 35 1HG2 THR 35 5.146 7.103 -5.544 299 HG23 THR 35 2HG2 THR 35 6.573 6.369 -6.274 300 H LEU 36 H LEU 36 7.227 4.116 -3.925 301 HA LEU 36 HA LEU 36 6.802 1.740 -2.532 302 HB2 LEU 36 2HB LEU 36 7.787 2.799 -0.623 303 HB3 LEU 36 1HB LEU 36 8.635 3.331 -2.060 304 HG LEU 36 HG LEU 36 6.469 5.010 -0.822 305 HD11 LEU 36 1HD1 LEU 36 9.407 5.051 -0.149 306 HD12 LEU 36 2HD1 LEU 36 8.117 4.490 0.913 307 HD13 LEU 36 3HD1 LEU 36 8.187 6.185 0.434 308 HD21 LEU 36 3HD2 LEU 36 7.746 6.835 -1.886 309 HD22 LEU 36 1HD2 LEU 36 7.154 5.654 -3.053 310 HD23 LEU 36 2HD2 LEU 36 8.848 5.640 -2.568 311 H SER 37 H SER 37 4.894 4.655 -2.642 312 HA SER 37 HA SER 37 3.119 4.164 -0.537 313 HB2 SER 37 2HB SER 37 1.496 5.463 -2.058 314 HB3 SER 37 1HB SER 37 3.000 6.276 -1.616 315 HG SER 37 HG SER 37 2.089 5.767 -4.045 316 H ASP 38 H ASP 38 3.029 3.136 -3.924 317 HA ASP 38 HA ASP 38 0.615 1.691 -3.789 318 HB2 ASP 38 2HB ASP 38 2.971 1.182 -5.622 319 HB3 ASP 38 1HB ASP 38 1.325 0.618 -5.873 320 H VAL 39 H VAL 39 3.992 0.792 -3.313 321 HA VAL 39 HA VAL 39 3.569 -1.982 -3.029 322 HB VAL 39 HB VAL 39 5.793 -0.335 -1.807 323 HG11 VAL 39 1HG1 VAL 39 5.643 -2.568 -0.856 324 HG12 VAL 39 2HG1 VAL 39 7.071 -2.426 -1.883 325 HG13 VAL 39 3HG1 VAL 39 5.639 -3.272 -2.473 326 HG21 VAL 39 3HG2 VAL 39 5.654 0.043 -4.206 327 HG22 VAL 39 1HG2 VAL 39 5.641 -1.698 -4.495 328 HG23 VAL 39 2HG2 VAL 39 7.074 -0.925 -3.814 329 H CYS 40 H CYS 40 3.537 0.670 -0.703 330 HA CYS 40 HA CYS 40 3.313 -0.946 1.621 331 HB2 CYS 40 2HB CYS 40 3.896 1.600 1.332 332 HB3 CYS 40 1HB CYS 40 2.159 1.835 1.429 333 HG CYS 40 HG CYS 40 2.974 -0.062 3.918 334 H ARG 41 H ARG 41 0.850 0.877 -0.188 335 HA ARG 41 HA ARG 41 -1.485 -0.104 0.765 336 HB2 ARG 41 2HB ARG 41 -1.231 1.570 -1.032 337 HB3 ARG 41 1HB ARG 41 -0.715 0.312 -2.136 338 HG2 ARG 41 2HG ARG 41 -3.400 0.163 -0.838 339 HG3 ARG 41 1HG ARG 41 -3.138 1.207 -2.234 340 HD2 ARG 41 2HD ARG 41 -2.318 -0.755 -3.495 341 HD3 ARG 41 1HD ARG 41 -2.674 -1.775 -2.100 342 HE ARG 41 HE ARG 41 -4.919 -0.230 -3.075 343 HH11 ARG 41 1HH1 ARG 41 -3.165 -3.244 -3.304 344 HH12 ARG 41 2HH1 ARG 41 -4.499 -4.124 -3.987 345 HH21 ARG 41 1HH2 ARG 41 -6.687 -1.374 -3.946 346 HH22 ARG 41 2HH2 ARG 41 -6.523 -3.070 -4.309 347 H LEU 42 H LEU 42 0.525 -1.672 -1.727 348 HA LEU 42 HA LEU 42 -1.142 -3.953 -2.020 349 HB2 LEU 42 2HB LEU 42 1.791 -3.596 -2.654 350 HB3 LEU 42 1HB LEU 42 0.813 -4.956 -3.173 351 HG LEU 42 HG LEU 42 0.351 -2.083 -3.979 352 HD11 LEU 42 1HD1 LEU 42 2.402 -2.962 -4.943 353 HD12 LEU 42 2HD1 LEU 42 1.153 -2.801 -6.178 354 HD13 LEU 42 3HD1 LEU 42 1.539 -4.389 -5.516 355 HD21 LEU 42 3HD2 LEU 42 -1.708 -3.380 -3.948 356 HD22 LEU 42 1HD2 LEU 42 -0.943 -4.645 -4.910 357 HD23 LEU 42 2HD2 LEU 42 -1.210 -3.049 -5.607 358 H ALA 43 H ALA 43 1.328 -3.088 0.227 359 HA ALA 43 HA ALA 43 1.990 -5.685 1.118 360 HB1 ALA 43 1HB ALA 43 3.436 -3.765 1.526 361 HB2 ALA 43 2HB ALA 43 3.001 -4.573 3.031 362 HB3 ALA 43 3HB ALA 43 2.208 -3.065 2.581 363 H ILE 44 H ILE 44 -0.478 -3.337 2.046 364 HA ILE 44 HA ILE 44 -1.360 -4.777 4.346 365 HB ILE 44 HB ILE 44 -3.074 -2.884 2.728 366 HG12 ILE 44 2HG1 ILE 44 -1.146 -2.260 4.970 367 HG13 ILE 44 1HG1 ILE 44 -1.030 -1.699 3.303 368 HG21 ILE 44 1HG2 ILE 44 -3.143 -3.747 5.618 369 HG22 ILE 44 2HG2 ILE 44 -4.279 -4.219 4.353 370 HG23 ILE 44 3HG2 ILE 44 -4.202 -2.539 4.890 371 HD11 ILE 44 3HD1 ILE 44 -3.196 -0.960 5.259 372 HD12 ILE 44 1HD1 ILE 44 -3.090 -0.417 3.585 373 HD13 ILE 44 2HD1 ILE 44 -1.854 0.066 4.747 374 H LYS 45 H LYS 45 -2.179 -4.760 0.935 375 HA LYS 45 HA LYS 45 -4.446 -6.371 1.040 376 HB2 LYS 45 2HB LYS 45 -3.776 -5.260 -1.025 377 HB3 LYS 45 1HB LYS 45 -2.319 -6.247 -1.107 378 HG2 LYS 45 2HG LYS 45 -4.040 -7.046 -2.647 379 HG3 LYS 45 1HG LYS 45 -3.668 -8.249 -1.411 380 HD2 LYS 45 2HD LYS 45 -5.862 -8.360 -1.027 381 HD3 LYS 45 1HD LYS 45 -5.718 -6.762 -0.296 382 HE2 LYS 45 2HE LYS 45 -7.481 -6.665 -1.894 383 HE3 LYS 45 1HE LYS 45 -6.109 -5.782 -2.564 384 HZ1 LYS 45 3HZ LYS 45 -6.780 -8.600 -3.220 385 HZ2 LYS 45 1HZ LYS 45 -5.571 -7.655 -3.944 386 HZ3 LYS 45 2HZ LYS 45 -7.208 -7.265 -4.174 387 H GLU 46 H GLU 46 -1.014 -7.291 0.834 388 HA GLU 46 HA GLU 46 -1.618 -10.092 0.875 389 HB2 GLU 46 2HB GLU 46 0.457 -9.133 -0.154 390 HB3 GLU 46 1HB GLU 46 1.030 -8.761 1.469 391 HG2 GLU 46 2HG GLU 46 1.020 -11.104 2.049 392 HG3 GLU 46 1HG GLU 46 0.347 -11.520 0.474 393 H TYR 47 H TYR 47 -1.028 -7.605 3.195 394 HA TYR 47 HA TYR 47 -0.523 -9.172 5.461 395 HB2 TYR 47 2HB TYR 47 -0.235 -6.722 5.382 396 HB3 TYR 47 1HB TYR 47 -1.976 -6.522 5.243 397 HD1 TYR 47 2HD TYR 47 0.779 -7.427 7.501 398 HD2 TYR 47 1HD TYR 47 -3.397 -6.680 7.188 399 HE1 TYR 47 2HE TYR 47 0.625 -7.282 9.952 400 HE2 TYR 47 1HE TYR 47 -3.559 -6.526 9.636 401 HH TYR 47 HH TYR 47 -2.350 -7.292 11.616 402 H LEU 48 H LEU 48 -3.525 -7.995 4.008 403 HA LEU 48 HA LEU 48 -5.283 -9.291 5.820 404 HB2 LEU 48 2HB LEU 48 -5.777 -8.468 2.955 405 HB3 LEU 48 1HB LEU 48 -7.012 -8.880 4.129 406 HG LEU 48 HG LEU 48 -5.171 -6.489 4.240 407 HD11 LEU 48 1HD1 LEU 48 -8.139 -6.718 3.753 408 HD12 LEU 48 2HD1 LEU 48 -6.914 -6.276 2.563 409 HD13 LEU 48 3HD1 LEU 48 -7.239 -5.212 3.931 410 HD21 LEU 48 3HD2 LEU 48 -7.403 -7.280 6.114 411 HD22 LEU 48 1HD2 LEU 48 -6.428 -5.813 6.203 412 HD23 LEU 48 2HD2 LEU 48 -5.679 -7.386 6.479 413 H ASP 49 H ASP 49 -4.006 -10.137 2.646 414 HA ASP 49 HA ASP 49 -5.469 -12.493 2.260 415 HB2 ASP 49 2HB ASP 49 -4.306 -11.327 0.460 416 HB3 ASP 49 1HB ASP 49 -2.752 -11.729 1.182 417 H ASN 50 H ASN 50 -2.531 -11.894 4.048 418 HA ASN 50 HA ASN 50 -1.802 -14.656 4.318 419 HB2 ASN 50 2HB ASN 50 -0.157 -12.808 4.413 420 HB3 ASN 50 1HB ASN 50 -0.912 -12.228 5.890 421 HD21 ASN 50 1HD2 ASN 50 0.806 -12.447 7.194 422 HD22 ASN 50 2HD2 ASN 50 1.500 -13.981 7.621 423 H HIS 51 H HIS 51 -3.768 -12.390 6.080 424 HA HIS 51 HA HIS 51 -3.923 -14.151 8.409 425 HB2 HIS 51 2HB HIS 51 -5.011 -11.375 7.905 426 HB3 HIS 51 1HB HIS 51 -5.316 -12.290 9.377 427 HD1 HIS 51 1HD HIS 51 -4.114 -10.508 10.807 428 HD2 HIS 51 2HD HIS 51 -1.688 -12.281 7.927 429 HE1 HIS 51 1HE HIS 51 -1.760 -9.831 11.383 430 HE2 HIS 51 2HE HIS 51 -0.340 -10.728 9.500 431 H ASP 52 H ASP 52 -6.236 -12.393 6.350 432 HA ASP 52 HA ASP 52 -8.301 -14.354 7.054 433 HB2 ASP 52 2HB ASP 52 -8.776 -11.915 7.387 434 HB3 ASP 52 1HB ASP 52 -8.598 -11.681 5.652 435 H LYS 53 H LYS 53 -6.902 -15.765 5.572 436 HA LYS 53 HA LYS 53 -7.241 -15.277 2.741 437 HB2 LYS 53 2HB LYS 53 -5.162 -16.276 3.538 438 HB3 LYS 53 1HB LYS 53 -6.051 -17.630 4.220 439 HG2 LYS 53 2HG LYS 53 -6.669 -18.410 2.050 440 HG3 LYS 53 1HG LYS 53 -6.024 -16.957 1.287 441 HD2 LYS 53 2HD LYS 53 -4.362 -18.940 2.839 442 HD3 LYS 53 1HD LYS 53 -4.553 -18.963 1.085 443 HE2 LYS 53 2HE LYS 53 -3.396 -16.715 2.724 444 HE3 LYS 53 1HE LYS 53 -2.486 -17.841 1.720 445 HZ1 LYS 53 3HZ LYS 53 -3.734 -16.988 -0.216 446 HZ2 LYS 53 1HZ LYS 53 -2.791 -15.797 0.538 447 HZ3 LYS 53 2HZ LYS 53 -4.462 -15.827 0.780 448 H GLN 54 H GLN 54 -8.731 -17.184 5.242 449 HA GLN 54 HA GLN 54 -10.191 -18.773 3.296 450 HB2 GLN 54 2HB GLN 54 -11.083 -19.993 5.214 451 HB3 GLN 54 1HB GLN 54 -9.330 -19.928 5.263 452 HG2 GLN 54 2HG GLN 54 -9.413 -18.190 6.946 453 HG3 GLN 54 1HG GLN 54 -11.174 -18.161 6.856 454 HE21 GLN 54 1HE2 GLN 54 -11.447 -18.699 9.002 455 HE22 GLN 54 2HE2 GLN 54 -11.103 -20.278 9.622 456 H LYS 55 H LYS 55 -12.094 -18.230 2.539 457 HA LYS 55 HA LYS 55 -13.739 -16.322 4.076 458 HB2 LYS 55 2HB LYS 55 -13.736 -16.992 1.127 459 HB3 LYS 55 1HB LYS 55 -14.927 -15.954 1.896 460 HG2 LYS 55 2HG LYS 55 -11.967 -15.407 1.884 461 HG3 LYS 55 1HG LYS 55 -13.108 -14.742 0.716 462 HD2 LYS 55 2HD LYS 55 -14.370 -13.757 2.650 463 HD3 LYS 55 1HD LYS 55 -13.041 -14.267 3.692 464 HE2 LYS 55 2HE LYS 55 -12.752 -12.445 1.306 465 HE3 LYS 55 1HE LYS 55 -12.892 -11.895 2.973 466 HZ1 LYS 55 3HZ LYS 55 -10.836 -12.897 3.527 467 HZ2 LYS 55 1HZ LYS 55 -10.581 -12.031 2.090 468 HZ3 LYS 55 2HZ LYS 55 -10.741 -13.716 2.039 469 H LYS 56 H LYS 56 -13.353 -19.436 3.863 470 HA LYS 56 HA LYS 56 -16.172 -20.177 3.578 471 HB2 LYS 56 2HB LYS 56 -13.715 -21.936 3.784 472 HB3 LYS 56 1HB LYS 56 -15.356 -22.493 3.498 473 HG2 LYS 56 2HG LYS 56 -15.402 -21.317 1.367 474 HG3 LYS 56 1HG LYS 56 -13.764 -20.726 1.652 475 HD2 LYS 56 2HD LYS 56 -14.578 -23.622 1.396 476 HD3 LYS 56 1HD LYS 56 -13.781 -22.663 0.148 477 HE2 LYS 56 2HE LYS 56 -11.869 -22.334 1.693 478 HE3 LYS 56 1HE LYS 56 -12.662 -23.407 2.848 479 HZ1 LYS 56 3HZ LYS 56 -12.559 -25.190 1.229 480 HZ2 LYS 56 1HZ LYS 56 -11.003 -24.572 1.510 481 HZ3 LYS 56 2HZ LYS 56 -11.836 -24.156 0.095 482 H1 GLY 2 1HT GLY 2 17.543 21.765 4.583 483 H2 GLY 2 2HT GLY 2 16.281 20.726 4.131 484 H3 GLY 2 3HT GLY 2 17.880 20.345 3.719 485 HA2 GLY 2 1HA GLY 2 18.450 20.103 6.056 486 HA3 GLY 2 2HA GLY 2 16.782 20.478 6.471 487 H ARG 3 H ARG 3 17.100 18.338 7.569 488 HA ARG 3 HA ARG 3 16.605 16.138 7.782 489 HB2 ARG 3 2HB ARG 3 15.144 16.541 5.167 490 HB3 ARG 3 1HB ARG 3 14.955 15.163 6.244 491 HG2 ARG 3 2HG ARG 3 14.119 16.654 7.996 492 HG3 ARG 3 1HG ARG 3 14.285 18.025 6.896 493 HD2 ARG 3 2HD ARG 3 12.480 15.630 6.551 494 HD3 ARG 3 1HD ARG 3 11.989 17.285 6.915 495 HE ARG 3 HE ARG 3 13.488 17.190 4.505 496 HH11 ARG 3 1HH1 ARG 3 10.273 16.523 5.791 497 HH12 ARG 3 2HH1 ARG 3 9.512 16.674 4.236 498 HH21 ARG 3 1HH2 ARG 3 12.466 17.386 2.504 499 HH22 ARG 3 2HH2 ARG 3 10.744 17.154 2.379 500 HA PRO 4 HA PRO 4 20.131 14.980 5.051 501 HB2 PRO 4 2HB PRO 4 21.055 13.662 7.510 502 HB3 PRO 4 1HB PRO 4 21.881 14.853 6.501 503 HG2 PRO 4 2HG PRO 4 20.959 15.471 8.946 504 HG3 PRO 4 1HG PRO 4 20.944 16.644 7.615 505 HD2 PRO 4 2HD PRO 4 18.703 14.965 8.690 506 HD3 PRO 4 1HD PRO 4 18.696 16.681 8.217 507 H TYR 5 H TYR 5 20.752 12.917 4.286 508 HA TYR 5 HA TYR 5 18.592 11.011 4.504 509 HB2 TYR 5 2HB TYR 5 19.671 9.881 2.621 510 HB3 TYR 5 1HB TYR 5 19.497 11.598 2.285 511 HD1 TYR 5 1HD TYR 5 21.523 13.084 2.483 512 HD2 TYR 5 2HD TYR 5 21.794 8.841 2.622 513 HE1 TYR 5 1HE TYR 5 23.923 13.228 1.987 514 HE2 TYR 5 2HE TYR 5 24.200 8.976 2.128 515 HH TYR 5 HH TYR 5 25.956 11.862 2.345 516 H LYS 6 H LYS 6 18.684 9.057 5.416 517 HA LYS 6 HA LYS 6 19.342 7.357 6.745 518 HB2 LYS 6 2HB LYS 6 20.793 6.949 4.760 519 HB3 LYS 6 1HB LYS 6 22.075 7.847 5.559 520 HG2 LYS 6 2HG LYS 6 22.251 6.232 7.278 521 HG3 LYS 6 1HG LYS 6 20.791 5.403 6.736 522 HD2 LYS 6 2HD LYS 6 21.903 4.765 4.668 523 HD3 LYS 6 1HD LYS 6 23.355 5.640 5.164 524 HE2 LYS 6 2HE LYS 6 22.144 3.339 6.690 525 HE3 LYS 6 1HE LYS 6 23.468 3.179 5.537 526 HZ1 LYS 6 3HZ LYS 6 24.903 4.370 6.907 527 HZ2 LYS 6 1HZ LYS 6 24.051 3.384 7.993 528 HZ3 LYS 6 2HZ LYS 6 23.649 5.024 7.842 529 H LEU 7 H LEU 7 19.502 10.116 7.769 530 HA LEU 7 HA LEU 7 21.530 9.849 9.844 531 HB2 LEU 7 2HB LEU 7 21.098 12.077 8.896 532 HB3 LEU 7 1HB LEU 7 19.422 11.977 9.407 533 HG LEU 7 HG LEU 7 20.206 11.873 11.774 534 HD11 LEU 7 1HD1 LEU 7 22.443 11.014 11.405 535 HD12 LEU 7 2HD1 LEU 7 22.509 12.550 12.268 536 HD13 LEU 7 3HD1 LEU 7 22.890 12.490 10.546 537 HD21 LEU 7 3HD2 LEU 7 20.783 14.248 11.932 538 HD22 LEU 7 1HD2 LEU 7 19.446 13.967 10.816 539 HD23 LEU 7 2HD2 LEU 7 21.064 14.289 10.191 540 H LEU 8 H LEU 8 18.022 10.369 9.714 541 HA LEU 8 HA LEU 8 17.724 9.308 12.401 542 HB2 LEU 8 2HB LEU 8 16.573 11.394 11.584 543 HB3 LEU 8 1HB LEU 8 15.621 10.383 10.517 544 HG LEU 8 HG LEU 8 14.689 9.220 12.504 545 HD11 LEU 8 1HD1 LEU 8 16.168 11.354 14.034 546 HD12 LEU 8 2HD1 LEU 8 16.526 9.627 14.052 547 HD13 LEU 8 3HD1 LEU 8 14.999 10.218 14.709 548 HD21 LEU 8 3HD2 LEU 8 13.215 11.031 13.176 549 HD22 LEU 8 1HD2 LEU 8 13.511 11.088 11.439 550 HD23 LEU 8 2HD2 LEU 8 14.341 12.217 12.511 551 H ASN 9 H ASN 9 18.143 7.957 9.577 552 HA ASN 9 HA ASN 9 17.536 6.116 8.415 553 HB2 ASN 9 2HB ASN 9 17.274 5.204 11.265 554 HB3 ASN 9 1HB ASN 9 16.994 4.101 9.920 555 HD21 ASN 9 1HD2 ASN 9 18.721 2.795 10.193 556 HD22 ASN 9 2HD2 ASN 9 20.363 3.323 10.038 557 H GLY 10 H GLY 10 15.557 7.791 8.116 558 HA2 GLY 10 2HA GLY 10 13.311 6.039 7.767 559 HA3 GLY 10 1HA GLY 10 13.024 7.301 8.961 560 H ILE 11 H ILE 11 11.985 6.734 6.165 561 HA ILE 11 HA ILE 11 12.345 9.489 5.200 562 HB ILE 11 HB ILE 11 12.097 7.046 3.414 563 HG12 ILE 11 2HG1 ILE 11 14.384 7.982 2.588 564 HG13 ILE 11 1HG1 ILE 11 14.433 8.795 4.150 565 HG21 ILE 11 1HG2 ILE 11 10.962 8.978 2.471 566 HG22 ILE 11 2HG2 ILE 11 12.431 8.626 1.561 567 HG23 ILE 11 3HG2 ILE 11 12.405 9.963 2.711 568 HD11 ILE 11 3HD1 ILE 11 14.243 5.823 3.691 569 HD12 ILE 11 1HD1 ILE 11 14.258 6.615 5.266 570 HD13 ILE 11 2HD1 ILE 11 15.672 6.711 4.215 571 H LYS 12 H LYS 12 10.465 10.361 4.132 572 HA LYS 12 HA LYS 12 8.026 9.201 5.277 573 HB2 LYS 12 2HB LYS 12 8.958 11.662 5.644 574 HB3 LYS 12 1HB LYS 12 8.130 11.953 4.123 575 HG2 LYS 12 2HG LYS 12 6.684 12.541 5.942 576 HG3 LYS 12 1HG LYS 12 6.043 11.106 5.138 577 HD2 LYS 12 2HD LYS 12 6.823 9.681 6.869 578 HD3 LYS 12 1HD LYS 12 7.791 10.970 7.583 579 HE2 LYS 12 2HE LYS 12 5.809 10.613 8.908 580 HE3 LYS 12 1HE LYS 12 5.725 12.189 8.127 581 HZ1 LYS 12 3HZ LYS 12 4.355 9.737 7.177 582 HZ2 LYS 12 1HZ LYS 12 4.237 11.277 6.478 583 HZ3 LYS 12 2HZ LYS 12 3.620 10.994 8.035 584 H LEU 13 H LEU 13 6.356 8.611 4.026 585 HA LEU 13 HA LEU 13 6.526 9.104 1.138 586 HB2 LEU 13 2HB LEU 13 5.716 6.702 0.854 587 HB3 LEU 13 1HB LEU 13 7.407 6.946 1.245 588 HG LEU 13 HG LEU 13 5.473 6.397 3.468 589 HD11 LEU 13 1HD1 LEU 13 4.988 4.706 1.752 590 HD12 LEU 13 2HD1 LEU 13 5.774 4.005 3.166 591 HD13 LEU 13 3HD1 LEU 13 6.701 4.288 1.693 592 HD21 LEU 13 3HD2 LEU 13 8.363 5.664 2.979 593 HD22 LEU 13 1HD2 LEU 13 7.444 5.326 4.445 594 HD23 LEU 13 2HD2 LEU 13 7.795 6.994 3.991 595 H GLY 14 H GLY 14 4.636 9.390 0.093 596 HA2 GLY 14 2HA GLY 14 2.251 9.554 1.799 597 HA3 GLY 14 1HA GLY 14 2.508 10.437 0.299 598 H VAL 15 H VAL 15 0.855 7.948 1.662 599 HA VAL 15 HA VAL 15 0.706 6.379 -0.826 600 HB VAL 15 HB VAL 15 -0.215 5.553 1.941 601 HG11 VAL 15 1HG1 VAL 15 0.217 3.947 -0.571 602 HG12 VAL 15 2HG1 VAL 15 -1.333 4.329 0.179 603 HG13 VAL 15 3HG1 VAL 15 -0.187 3.277 1.012 604 HG21 VAL 15 3HG2 VAL 15 1.814 4.172 2.042 605 HG22 VAL 15 1HG2 VAL 15 2.180 5.897 1.983 606 HG23 VAL 15 2HG2 VAL 15 2.371 4.905 0.538 607 H TYR 16 H TYR 16 -1.474 5.595 -1.445 608 HA TYR 16 HA TYR 16 -3.686 7.173 -0.319 609 HB2 TYR 16 2HB TYR 16 -2.786 7.051 -3.113 610 HB3 TYR 16 1HB TYR 16 -4.513 6.803 -2.892 611 HD1 TYR 16 2HD TYR 16 -1.752 9.194 -2.537 612 HD2 TYR 16 1HD TYR 16 -5.923 8.546 -2.055 613 HE1 TYR 16 2HE TYR 16 -2.093 11.613 -2.273 614 HE2 TYR 16 1HE TYR 16 -6.284 10.952 -1.778 615 HH TYR 16 HH TYR 16 -3.667 13.273 -2.256 616 H ILE 17 H ILE 17 -5.438 6.032 0.212 617 HA ILE 17 HA ILE 17 -5.761 3.335 -0.881 618 HB ILE 17 HB ILE 17 -6.093 2.335 1.323 619 HG12 ILE 17 2HG1 ILE 17 -5.160 4.979 2.453 620 HG13 ILE 17 1HG1 ILE 17 -6.811 4.369 2.531 621 HG21 ILE 17 1HG2 ILE 17 -3.441 3.746 1.081 622 HG22 ILE 17 2HG2 ILE 17 -3.880 2.214 0.327 623 HG23 ILE 17 3HG2 ILE 17 -3.766 2.332 2.083 624 HD11 ILE 17 3HD1 ILE 17 -5.652 4.006 4.631 625 HD12 ILE 17 1HD1 ILE 17 -4.391 3.097 3.796 626 HD13 ILE 17 2HD1 ILE 17 -6.036 2.467 3.860 627 HA PRO 18 HA PRO 18 -10.012 4.445 -1.238 628 HB2 PRO 18 2HB PRO 18 -10.522 1.568 -0.709 629 HB3 PRO 18 1HB PRO 18 -11.009 2.566 -2.085 630 HG2 PRO 18 2HG PRO 18 -9.048 0.797 -2.337 631 HG3 PRO 18 1HG PRO 18 -8.936 2.390 -3.111 632 HD2 PRO 18 2HD PRO 18 -7.619 1.402 -0.608 633 HD3 PRO 18 1HD PRO 18 -6.953 2.412 -1.911 634 H GLN 19 H GLN 19 -12.086 4.331 -0.137 635 HA GLN 19 HA GLN 19 -11.619 4.790 2.674 636 HB2 GLN 19 2HB GLN 19 -13.547 6.057 2.667 637 HB3 GLN 19 1HB GLN 19 -13.047 6.203 0.993 638 HG2 GLN 19 2HG GLN 19 -15.142 5.642 0.508 639 HG3 GLN 19 1HG GLN 19 -14.642 3.996 0.901 640 HE21 GLN 19 1HE2 GLN 19 -14.400 4.622 3.786 641 HE22 GLN 19 2HE2 GLN 19 -16.017 4.714 4.375 642 H GLU 20 H GLU 20 -13.372 2.485 0.678 643 HA GLU 20 HA GLU 20 -14.819 1.141 2.674 644 HB2 GLU 20 2HB GLU 20 -13.498 -0.366 0.434 645 HB3 GLU 20 1HB GLU 20 -15.095 -0.598 1.129 646 HG2 GLU 20 2HG GLU 20 -15.633 0.323 -0.890 647 HG3 GLU 20 1HG GLU 20 -15.559 1.765 0.120 648 H TRP 21 H TRP 21 -11.532 1.014 1.676 649 HA TRP 21 HA TRP 21 -10.785 -1.283 3.224 650 HB2 TRP 21 2HB TRP 21 -9.769 -0.544 1.037 651 HB3 TRP 21 1HB TRP 21 -9.074 0.828 1.886 652 HD1 TRP 21 HD TRP 21 -8.911 -2.369 3.851 653 HE1 TRP 21 1HE TRP 21 -6.494 -3.258 3.816 654 HE3 TRP 21 3HE TRP 21 -6.987 0.678 0.246 655 HZ2 TRP 21 2HZ TRP 21 -4.086 -2.730 2.425 656 HZ3 TRP 21 3HZ TRP 21 -4.630 0.425 -0.386 657 HH2 TRP 21 HH TRP 21 -3.196 -1.236 0.682 658 H HIS 22 H HIS 22 -10.867 2.182 3.542 659 HA HIS 22 HA HIS 22 -9.462 2.434 5.979 660 HB2 HIS 22 2HB HIS 22 -11.489 4.063 4.532 661 HB3 HIS 22 1HB HIS 22 -11.275 4.382 6.250 662 HD1 HIS 22 1HD HIS 22 -9.566 6.037 6.793 663 HD2 HIS 22 2HD HIS 22 -8.891 4.271 3.088 664 HE1 HIS 22 1HE HIS 22 -7.591 7.248 5.814 665 HE2 HIS 22 2HE HIS 22 -7.312 6.273 3.512 666 H ASP 23 H ASP 23 -12.884 1.773 5.244 667 HA ASP 23 HA ASP 23 -13.965 1.904 7.780 668 HB2 ASP 23 2HB ASP 23 -14.609 -0.066 5.576 669 HB3 ASP 23 1HB ASP 23 -15.571 0.109 7.035 670 H ARG 24 H ARG 24 -12.629 -0.995 6.199 671 HA ARG 24 HA ARG 24 -13.006 -2.557 8.572 672 HB2 ARG 24 2HB ARG 24 -11.670 -3.103 5.936 673 HB3 ARG 24 1HB ARG 24 -11.595 -4.260 7.258 674 HG2 ARG 24 2HG ARG 24 -13.377 -4.892 5.804 675 HG3 ARG 24 1HG ARG 24 -14.080 -4.288 7.304 676 HD2 ARG 24 2HD ARG 24 -14.331 -2.063 6.146 677 HD3 ARG 24 1HD ARG 24 -13.898 -2.885 4.648 678 HE ARG 24 HE ARG 24 -16.022 -4.242 5.931 679 HH11 ARG 24 1HH1 ARG 24 -15.316 -1.357 4.073 680 HH12 ARG 24 2HH1 ARG 24 -16.943 -1.176 3.487 681 HH21 ARG 24 1HH2 ARG 24 -18.169 -4.010 5.167 682 HH22 ARG 24 2HH2 ARG 24 -18.558 -2.684 4.109 683 H LEU 25 H LEU 25 -10.072 -1.333 6.934 684 HA LEU 25 HA LEU 25 -8.326 -2.517 8.824 685 HB2 LEU 25 2HB LEU 25 -8.064 -0.745 6.507 686 HB3 LEU 25 1HB LEU 25 -6.821 -0.535 7.728 687 HG LEU 25 HG LEU 25 -6.164 -2.135 5.958 688 HD11 LEU 25 1HD1 LEU 25 -6.549 -3.392 8.672 689 HD12 LEU 25 2HD1 LEU 25 -5.211 -2.346 8.198 690 HD13 LEU 25 3HD1 LEU 25 -5.408 -3.924 7.437 691 HD21 LEU 25 3HD2 LEU 25 -8.384 -3.036 5.457 692 HD22 LEU 25 1HD2 LEU 25 -8.429 -3.808 7.043 693 HD23 LEU 25 2HD2 LEU 25 -7.242 -4.322 5.844 694 H MET 26 H MET 26 -9.578 0.807 8.524 695 HA MET 26 HA MET 26 -7.982 1.771 10.657 696 HB2 MET 26 2HB MET 26 -10.462 2.882 9.370 697 HB3 MET 26 1HB MET 26 -9.613 3.702 10.673 698 HG2 MET 26 2HG MET 26 -8.268 2.879 8.123 699 HG3 MET 26 1HG MET 26 -9.055 4.444 8.336 700 HE1 MET 26 3HE MET 26 -8.254 6.280 10.090 701 HE2 MET 26 1HE MET 26 -6.941 6.021 11.238 702 HE3 MET 26 2HE MET 26 -8.433 5.091 11.380 703 H GLU 27 H GLU 27 -11.094 0.152 10.590 704 HA GLU 27 HA GLU 27 -11.749 0.679 13.289 705 HB2 GLU 27 2HB GLU 27 -13.380 -0.303 11.776 706 HB3 GLU 27 1HB GLU 27 -12.370 -1.730 11.573 707 HG2 GLU 27 2HG GLU 27 -12.692 -2.346 13.875 708 HG3 GLU 27 1HG GLU 27 -13.583 -0.858 14.183 709 H ILE 28 H ILE 28 -9.766 -1.774 11.727 710 HA ILE 28 HA ILE 28 -9.043 -3.203 14.067 711 HB ILE 28 HB ILE 28 -7.550 -2.858 11.456 712 HG12 ILE 28 2HG1 ILE 28 -9.311 -5.114 12.440 713 HG13 ILE 28 1HG1 ILE 28 -9.792 -3.895 11.264 714 HG21 ILE 28 1HG2 ILE 28 -6.288 -4.853 12.088 715 HG22 ILE 28 2HG2 ILE 28 -7.110 -4.882 13.649 716 HG23 ILE 28 3HG2 ILE 28 -6.035 -3.544 13.243 717 HD11 ILE 28 3HD1 ILE 28 -9.192 -5.981 10.180 718 HD12 ILE 28 1HD1 ILE 28 -7.590 -5.916 10.913 719 HD13 ILE 28 2HD1 ILE 28 -8.069 -4.696 9.733 720 H ALA 29 H ALA 29 -7.758 -0.400 12.411 721 HA ALA 29 HA ALA 29 -5.390 -0.041 13.872 722 HB1 ALA 29 1HB ALA 29 -5.900 1.089 11.746 723 HB2 ALA 29 2HB ALA 29 -5.390 2.216 13.002 724 HB3 ALA 29 3HB ALA 29 -7.097 2.084 12.578 725 H LYS 30 H LYS 30 -8.708 0.715 14.650 726 HA LYS 30 HA LYS 30 -8.032 2.492 16.811 727 HB2 LYS 30 2HB LYS 30 -10.611 1.081 16.095 728 HB3 LYS 30 1HB LYS 30 -10.453 2.243 17.410 729 HG2 LYS 30 2HG LYS 30 -9.849 3.981 15.835 730 HG3 LYS 30 1HG LYS 30 -9.932 2.824 14.505 731 HD2 LYS 30 2HD LYS 30 -12.292 2.520 14.855 732 HD3 LYS 30 1HD LYS 30 -12.248 3.533 16.300 733 HE2 LYS 30 2HE LYS 30 -13.122 4.743 14.346 734 HE3 LYS 30 1HE LYS 30 -11.639 5.460 14.973 735 HZ1 LYS 30 3HZ LYS 30 -11.586 5.353 12.575 736 HZ2 LYS 30 1HZ LYS 30 -11.854 3.677 12.605 737 HZ3 LYS 30 2HZ LYS 30 -10.408 4.319 13.219 738 H GLU 31 H GLU 31 -9.053 -0.840 16.473 739 HA GLU 31 HA GLU 31 -9.241 -1.472 19.201 740 HB2 GLU 31 2HB GLU 31 -10.208 -2.783 17.324 741 HB3 GLU 31 1HB GLU 31 -8.589 -3.306 16.892 742 HG2 GLU 31 2HG GLU 31 -8.371 -4.424 19.051 743 HG3 GLU 31 1HG GLU 31 -9.999 -3.898 19.483 744 H LYS 32 H LYS 32 -6.538 -1.595 16.932 745 HA LYS 32 HA LYS 32 -4.833 -2.827 18.957 746 HB2 LYS 32 2HB LYS 32 -4.541 -2.406 15.998 747 HB3 LYS 32 1HB LYS 32 -3.181 -2.899 16.998 748 HG2 LYS 32 2HG LYS 32 -4.293 -4.915 17.638 749 HG3 LYS 32 1HG LYS 32 -5.787 -4.391 16.861 750 HD2 LYS 32 2HD LYS 32 -4.845 -4.608 14.697 751 HD3 LYS 32 1HD LYS 32 -3.216 -4.781 15.351 752 HE2 LYS 32 2HE LYS 32 -4.238 -6.913 14.559 753 HE3 LYS 32 1HE LYS 32 -3.720 -6.933 16.242 754 HZ1 LYS 32 3HZ LYS 32 -5.864 -7.975 16.007 755 HZ2 LYS 32 1HZ LYS 32 -6.516 -6.586 15.282 756 HZ3 LYS 32 2HZ LYS 32 -6.024 -6.548 16.904 757 H ASN 33 H ASN 33 -5.631 0.247 18.126 758 HA ASN 33 HA ASN 33 -4.778 2.303 18.555 759 HB2 ASN 33 2HB ASN 33 -2.832 0.695 20.212 760 HB3 ASN 33 1HB ASN 33 -2.776 2.450 20.121 761 HD21 ASN 33 1HD2 ASN 33 -3.226 2.785 22.232 762 HD22 ASN 33 2HD2 ASN 33 -4.757 2.435 22.959 763 H LEU 34 H LEU 34 -4.225 1.424 16.138 764 HA LEU 34 HA LEU 34 -1.467 2.330 15.622 765 HB2 LEU 34 2HB LEU 34 -3.059 0.289 14.051 766 HB3 LEU 34 1HB LEU 34 -1.446 0.859 13.653 767 HG LEU 34 HG LEU 34 -2.146 -0.683 16.157 768 HD11 LEU 34 1HD1 LEU 34 -0.815 -1.614 13.615 769 HD12 LEU 34 2HD1 LEU 34 -2.432 -2.058 14.159 770 HD13 LEU 34 3HD1 LEU 34 -1.022 -2.566 15.086 771 HD21 LEU 34 3HD2 LEU 34 0.254 -0.886 16.428 772 HD22 LEU 34 1HD2 LEU 34 -0.208 0.814 16.364 773 HD23 LEU 34 2HD2 LEU 34 0.521 0.045 14.954 774 H THR 35 H THR 35 -1.270 3.344 13.408 775 HA THR 35 HA THR 35 -3.826 4.561 12.586 776 HB THR 35 HB THR 35 -2.518 6.337 11.508 777 HG1 THR 35 1HG THR 35 -0.220 5.147 12.737 778 HG21 THR 35 3HG2 THR 35 -3.249 6.709 13.795 779 HG22 THR 35 1HG2 THR 35 -1.667 7.447 13.542 780 HG23 THR 35 2HG2 THR 35 -1.801 5.916 14.413 781 H LEU 36 H LEU 36 -4.059 4.905 10.212 782 HA LEU 36 HA LEU 36 -3.677 2.585 8.740 783 HB2 LEU 36 2HB LEU 36 -4.349 3.825 6.798 784 HB3 LEU 36 1HB LEU 36 -5.309 4.331 8.168 785 HG LEU 36 HG LEU 36 -2.954 5.906 7.121 786 HD11 LEU 36 1HD1 LEU 36 -5.893 6.273 6.562 787 HD12 LEU 36 2HD1 LEU 36 -4.688 5.696 5.409 788 HD13 LEU 36 3HD1 LEU 36 -4.592 7.342 6.035 789 HD21 LEU 36 3HD2 LEU 36 -5.214 6.624 8.991 790 HD22 LEU 36 1HD2 LEU 36 -4.018 7.756 8.360 791 HD23 LEU 36 2HD2 LEU 36 -3.512 6.441 9.418 792 H SER 37 H SER 37 -1.677 5.468 8.948 793 HA SER 37 HA SER 37 0.280 4.873 7.072 794 HB2 SER 37 2HB SER 37 0.825 6.125 9.768 795 HB3 SER 37 1HB SER 37 1.650 6.438 8.241 796 HG SER 37 HG SER 37 0.277 8.031 8.101 797 H ASP 38 H ASP 38 0.059 3.936 10.494 798 HA ASP 38 HA ASP 38 2.508 2.532 10.595 799 HB2 ASP 38 2HB ASP 38 0.024 2.231 12.297 800 HB3 ASP 38 1HB ASP 38 1.560 1.449 12.643 801 H VAL 39 H VAL 39 -0.810 1.515 9.939 802 HA VAL 39 HA VAL 39 -0.316 -1.257 9.964 803 HB VAL 39 HB VAL 39 -2.487 0.249 8.490 804 HG11 VAL 39 1HG1 VAL 39 -2.250 -1.998 7.612 805 HG12 VAL 39 2HG1 VAL 39 -3.720 -1.882 8.578 806 HG13 VAL 39 3HG1 VAL 39 -2.287 -2.667 9.242 807 HG21 VAL 39 3HG2 VAL 39 -2.491 -1.043 11.219 808 HG22 VAL 39 1HG2 VAL 39 -3.878 -0.292 10.430 809 HG23 VAL 39 2HG2 VAL 39 -2.488 0.690 10.893 810 H CYS 40 H CYS 40 -0.179 1.114 7.335 811 HA CYS 40 HA CYS 40 0.148 -0.748 5.241 812 HB2 CYS 40 2HB CYS 40 -0.251 1.914 5.317 813 HB3 CYS 40 1HB CYS 40 1.484 1.913 5.019 814 HG CYS 40 HG CYS 40 0.276 -0.198 2.921 815 H ARG 41 H ARG 41 2.571 1.263 6.861 816 HA ARG 41 HA ARG 41 4.921 0.109 6.170 817 HB2 ARG 41 2HB ARG 41 4.805 2.051 7.576 818 HB3 ARG 41 1HB ARG 41 4.002 1.154 8.852 819 HG2 ARG 41 2HG ARG 41 6.717 0.276 8.038 820 HG3 ARG 41 1HG ARG 41 6.564 1.777 8.954 821 HD2 ARG 41 2HD ARG 41 5.143 0.434 10.587 822 HD3 ARG 41 1HD ARG 41 5.745 -1.001 9.754 823 HE ARG 41 HE ARG 41 7.571 0.962 10.992 824 HH11 ARG 41 1HH1 ARG 41 6.464 -2.324 10.540 825 HH12 ARG 41 2HH1 ARG 41 7.710 -3.028 11.523 826 HH21 ARG 41 1HH2 ARG 41 9.235 0.057 12.276 827 HH22 ARG 41 2HH2 ARG 41 9.313 -1.675 12.482 828 H LEU 42 H LEU 42 2.828 -1.043 8.840 829 HA LEU 42 HA LEU 42 4.557 -3.135 9.643 830 HB2 LEU 42 2HB LEU 42 1.571 -2.843 9.994 831 HB3 LEU 42 1HB LEU 42 2.550 -4.052 10.800 832 HG LEU 42 HG LEU 42 2.867 -1.072 11.144 833 HD11 LEU 42 1HD1 LEU 42 0.755 -1.878 12.066 834 HD12 LEU 42 2HD1 LEU 42 1.877 -1.413 13.343 835 HD13 LEU 42 3HD1 LEU 42 1.620 -3.119 12.975 836 HD21 LEU 42 3HD2 LEU 42 4.945 -2.285 11.495 837 HD22 LEU 42 1HD2 LEU 42 4.129 -3.392 12.602 838 HD23 LEU 42 2HD2 LEU 42 4.306 -1.689 13.028 839 H ALA 43 H ALA 43 2.149 -2.869 7.177 840 HA ALA 43 HA ALA 43 1.815 -5.643 6.696 841 HB1 ALA 43 1HB ALA 43 1.311 -3.294 4.880 842 HB2 ALA 43 2HB ALA 43 0.158 -3.999 6.013 843 HB3 ALA 43 3HB ALA 43 0.725 -4.940 4.633 844 H ILE 44 H ILE 44 4.074 -3.205 5.500 845 HA ILE 44 HA ILE 44 5.167 -4.793 3.412 846 HB ILE 44 HB ILE 44 6.514 -2.592 4.995 847 HG12 ILE 44 2HG1 ILE 44 5.055 -2.574 2.349 848 HG13 ILE 44 1HG1 ILE 44 4.610 -1.710 3.818 849 HG21 ILE 44 1HG2 ILE 44 8.176 -4.003 3.966 850 HG22 ILE 44 2HG2 ILE 44 8.080 -2.480 3.082 851 HG23 ILE 44 3HG2 ILE 44 7.328 -3.933 2.420 852 HD11 ILE 44 3HD1 ILE 44 6.595 -0.316 3.624 853 HD12 ILE 44 1HD1 ILE 44 5.594 -0.210 2.175 854 HD13 ILE 44 2HD1 ILE 44 7.067 -1.180 2.160 855 H LYS 45 H LYS 45 5.847 -4.393 6.819 856 HA LYS 45 HA LYS 45 8.192 -5.860 7.020 857 HB2 LYS 45 2HB LYS 45 7.239 -4.495 8.839 858 HB3 LYS 45 1HB LYS 45 5.939 -5.663 9.028 859 HG2 LYS 45 2HG LYS 45 7.635 -5.947 10.741 860 HG3 LYS 45 1HG LYS 45 7.542 -7.364 9.695 861 HD2 LYS 45 2HD LYS 45 9.532 -6.757 8.551 862 HD3 LYS 45 1HD LYS 45 9.548 -5.155 9.290 863 HE2 LYS 45 2HE LYS 45 11.189 -6.733 10.279 864 HE3 LYS 45 1HE LYS 45 10.037 -6.082 11.442 865 HZ1 LYS 45 3HZ LYS 45 9.902 -8.770 10.175 866 HZ2 LYS 45 1HZ LYS 45 8.768 -8.142 11.268 867 HZ3 LYS 45 2HZ LYS 45 10.357 -8.438 11.775 868 H GLU 46 H GLU 46 4.813 -6.980 7.256 869 HA GLU 46 HA GLU 46 5.563 -9.726 7.547 870 HB2 GLU 46 2HB GLU 46 3.379 -8.747 8.343 871 HB3 GLU 46 1HB GLU 46 2.885 -8.653 6.655 872 HG2 GLU 46 2HG GLU 46 3.087 -11.055 6.434 873 HG3 GLU 46 1HG GLU 46 3.657 -11.178 8.097 874 H TYR 47 H TYR 47 4.762 -7.590 4.903 875 HA TYR 47 HA TYR 47 4.339 -9.452 2.876 876 HB2 TYR 47 2HB TYR 47 3.876 -7.050 2.636 877 HB3 TYR 47 1HB TYR 47 5.597 -6.702 2.698 878 HD1 TYR 47 2HD TYR 47 2.862 -8.018 0.652 879 HD2 TYR 47 1HD TYR 47 7.015 -7.106 0.767 880 HE1 TYR 47 2HE TYR 47 2.966 -8.207 -1.797 881 HE2 TYR 47 1HE TYR 47 7.129 -7.284 -1.681 882 HH TYR 47 HH TYR 47 4.390 -7.368 -3.647 883 H LEU 48 H LEU 48 7.327 -7.923 4.013 884 HA LEU 48 HA LEU 48 9.073 -9.244 2.240 885 HB2 LEU 48 2HB LEU 48 9.647 -8.289 5.046 886 HB3 LEU 48 1HB LEU 48 10.843 -8.643 3.813 887 HG LEU 48 HG LEU 48 8.830 -6.391 3.746 888 HD11 LEU 48 1HD1 LEU 48 11.824 -6.375 4.099 889 HD12 LEU 48 2HD1 LEU 48 10.624 -6.015 5.340 890 HD13 LEU 48 3HD1 LEU 48 10.794 -4.951 3.945 891 HD21 LEU 48 3HD2 LEU 48 10.979 -7.150 1.770 892 HD22 LEU 48 1HD2 LEU 48 10.040 -5.658 1.735 893 HD23 LEU 48 2HD2 LEU 48 9.237 -7.211 1.505 894 H ASP 49 H ASP 49 7.840 -10.041 5.421 895 HA ASP 49 HA ASP 49 9.397 -12.315 5.923 896 HB2 ASP 49 2HB ASP 49 8.253 -11.299 7.727 897 HB3 ASP 49 1HB ASP 49 6.700 -11.422 6.907 898 H ASN 50 H ASN 50 6.295 -11.969 4.202 899 HA ASN 50 HA ASN 50 5.841 -14.776 3.996 900 HB2 ASN 50 2HB ASN 50 4.779 -12.514 2.297 901 HB3 ASN 50 1HB ASN 50 4.124 -14.146 2.368 902 HD21 ASN 50 1HD2 ASN 50 3.297 -11.289 3.152 903 HD22 ASN 50 2HD2 ASN 50 2.575 -11.507 4.705 904 H HIS 51 H HIS 51 7.608 -12.455 2.071 905 HA HIS 51 HA HIS 51 7.800 -14.317 -0.167 906 HB2 HIS 51 2HB HIS 51 8.753 -11.471 0.190 907 HB3 HIS 51 1HB HIS 51 9.119 -12.432 -1.240 908 HD1 HIS 51 1HD HIS 51 7.639 -11.689 -3.084 909 HD2 HIS 51 2HD HIS 51 5.652 -11.766 0.573 910 HE1 HIS 51 1HE HIS 51 5.258 -11.032 -3.583 911 HE2 HIS 51 2HE HIS 51 4.047 -11.192 -1.371 912 H ASP 52 H ASP 52 9.776 -12.959 2.377 913 HA ASP 52 HA ASP 52 11.789 -15.010 1.830 914 HB2 ASP 52 2HB ASP 52 12.580 -12.863 0.816 915 HB3 ASP 52 1HB ASP 52 12.500 -12.123 2.414 916 H LYS 53 H LYS 53 10.787 -16.051 3.595 917 HA LYS 53 HA LYS 53 10.756 -14.756 6.182 918 HB2 LYS 53 2HB LYS 53 8.932 -16.268 5.505 919 HB3 LYS 53 1HB LYS 53 10.079 -17.593 5.380 920 HG2 LYS 53 2HG LYS 53 10.529 -17.426 7.781 921 HG3 LYS 53 1HG LYS 53 9.363 -16.106 7.899 922 HD2 LYS 53 2HD LYS 53 8.720 -18.900 6.959 923 HD3 LYS 53 1HD LYS 53 8.427 -18.289 8.589 924 HE2 LYS 53 2HE LYS 53 7.243 -17.159 6.055 925 HE3 LYS 53 1HE LYS 53 6.405 -18.220 7.186 926 HZ1 LYS 53 3HZ LYS 53 7.461 -15.508 7.799 927 HZ2 LYS 53 1HZ LYS 53 6.687 -16.533 8.906 928 HZ3 LYS 53 2HZ LYS 53 5.834 -15.919 7.577 929 H GLN 54 H GLN 54 12.582 -17.213 4.487 930 HA GLN 54 HA GLN 54 14.045 -17.909 6.899 931 HB2 GLN 54 2HB GLN 54 14.985 -19.731 5.542 932 HB3 GLN 54 1HB GLN 54 13.227 -19.734 5.522 933 HG2 GLN 54 2HG GLN 54 13.359 -18.510 3.336 934 HG3 GLN 54 1HG GLN 54 15.090 -18.835 3.352 935 HE21 GLN 54 1HE2 GLN 54 15.087 -20.120 1.570 936 HE22 GLN 54 2HE2 GLN 54 14.346 -21.689 1.526 937 H LYS 55 H LYS 55 16.112 -17.440 7.279 938 HA LYS 55 HA LYS 55 17.618 -15.994 5.203 939 HB2 LYS 55 2HB LYS 55 17.884 -15.928 8.219 940 HB3 LYS 55 1HB LYS 55 19.009 -15.146 7.113 941 HG2 LYS 55 2HG LYS 55 16.065 -14.532 7.282 942 HG3 LYS 55 1HG LYS 55 17.340 -13.601 8.071 943 HD2 LYS 55 2HD LYS 55 18.322 -13.087 5.898 944 HD3 LYS 55 1HD LYS 55 17.083 -14.055 5.096 945 HE2 LYS 55 2HE LYS 55 16.526 -11.627 6.798 946 HE3 LYS 55 1HE LYS 55 16.647 -11.606 5.041 947 HZ1 LYS 55 3HZ LYS 55 14.694 -13.247 6.554 948 HZ2 LYS 55 1HZ LYS 55 14.762 -13.046 4.870 949 HZ3 LYS 55 2HZ LYS 55 14.342 -11.739 5.871 950 H LYS 56 H LYS 56 17.515 -18.582 4.811 951 HA LYS 56 HA LYS 56 20.123 -19.609 5.626 952 HB2 LYS 56 2HB LYS 56 17.522 -21.140 5.876 953 HB3 LYS 56 1HB LYS 56 19.122 -21.842 6.070 954 HG2 LYS 56 2HG LYS 56 19.538 -20.483 8.014 955 HG3 LYS 56 1HG LYS 56 18.014 -19.628 7.783 956 HD2 LYS 56 2HD LYS 56 18.297 -22.574 8.369 957 HD3 LYS 56 1HD LYS 56 17.860 -21.335 9.546 958 HE2 LYS 56 2HE LYS 56 15.880 -20.787 8.163 959 HE3 LYS 56 1HE LYS 56 16.298 -22.122 7.090 960 HZ1 LYS 56 3HZ LYS 56 16.084 -23.633 8.994 961 HZ2 LYS 56 1HZ LYS 56 14.633 -22.815 8.660 962 HZ3 LYS 56 2HZ LYS 56 15.597 -22.331 9.968 Start of MODEL 7 1 H1 GLY 2 1HT GLY 2 -14.259 15.116 -9.712 2 H2 GLY 2 2HT GLY 2 -14.403 15.054 -11.401 3 H3 GLY 2 3HT GLY 2 -13.855 13.697 -10.548 4 HA2 GLY 2 1HA GLY 2 -16.573 14.872 -10.390 5 HA3 GLY 2 2HA GLY 2 -16.139 13.382 -11.219 6 H ARG 3 H ARG 3 -17.893 12.609 -9.717 7 HA ARG 3 HA ARG 3 -16.718 11.905 -7.106 8 HB2 ARG 3 2HB ARG 3 -19.086 11.882 -6.230 9 HB3 ARG 3 1HB ARG 3 -18.434 13.472 -6.606 10 HG2 ARG 3 2HG ARG 3 -19.693 13.590 -8.629 11 HG3 ARG 3 1HG ARG 3 -20.186 11.903 -8.482 12 HD2 ARG 3 2HD ARG 3 -21.495 12.403 -6.529 13 HD3 ARG 3 1HD ARG 3 -20.921 14.072 -6.521 14 HE ARG 3 HE ARG 3 -22.047 13.838 -8.959 15 HH11 ARG 3 1HH1 ARG 3 -23.246 13.072 -5.744 16 HH12 ARG 3 2HH1 ARG 3 -24.890 13.448 -6.138 17 HH21 ARG 3 1HH2 ARG 3 -24.196 14.315 -9.468 18 HH22 ARG 3 2HH2 ARG 3 -25.443 14.111 -8.269 19 HA PRO 4 HA PRO 4 -17.747 7.834 -8.730 20 HB2 PRO 4 2HB PRO 4 -15.678 6.703 -7.168 21 HB3 PRO 4 1HB PRO 4 -15.607 7.118 -8.880 22 HG2 PRO 4 2HG PRO 4 -14.159 8.344 -6.810 23 HG3 PRO 4 1HG PRO 4 -14.340 8.945 -8.464 24 HD2 PRO 4 2HD PRO 4 -15.775 9.756 -5.987 25 HD3 PRO 4 1HD PRO 4 -15.327 10.726 -7.406 26 H TYR 5 H TYR 5 -19.613 7.294 -7.763 27 HA TYR 5 HA TYR 5 -21.023 6.179 -6.392 28 HB2 TYR 5 2HB TYR 5 -18.484 5.128 -5.145 29 HB3 TYR 5 1HB TYR 5 -20.095 4.470 -4.882 30 HD1 TYR 5 1HD TYR 5 -21.341 3.522 -6.884 31 HD2 TYR 5 2HD TYR 5 -17.187 4.437 -6.965 32 HE1 TYR 5 1HE TYR 5 -21.059 2.046 -8.832 33 HE2 TYR 5 2HE TYR 5 -16.894 2.971 -8.914 34 HH TYR 5 HH TYR 5 -18.045 0.999 -9.906 35 H LYS 6 H LYS 6 -18.472 6.709 -3.988 36 HA LYS 6 HA LYS 6 -20.514 7.507 -2.077 37 HB2 LYS 6 2HB LYS 6 -17.535 7.251 -1.611 38 HB3 LYS 6 1HB LYS 6 -18.816 7.187 -0.412 39 HG2 LYS 6 2HG LYS 6 -18.725 5.152 -2.587 40 HG3 LYS 6 1HG LYS 6 -17.640 5.006 -1.205 41 HD2 LYS 6 2HD LYS 6 -20.599 5.393 -0.864 42 HD3 LYS 6 1HD LYS 6 -19.888 3.792 -1.079 43 HE2 LYS 6 2HE LYS 6 -19.041 5.743 1.057 44 HE3 LYS 6 1HE LYS 6 -20.240 4.473 1.305 45 HZ1 LYS 6 3HZ LYS 6 -17.448 3.955 0.408 46 HZ2 LYS 6 1HZ LYS 6 -18.603 2.813 0.892 47 HZ3 LYS 6 2HZ LYS 6 -17.948 3.885 2.028 48 H LEU 7 H LEU 7 -17.238 8.707 -2.539 49 HA LEU 7 HA LEU 7 -18.134 11.327 -3.292 50 HB2 LEU 7 2HB LEU 7 -17.044 12.557 -1.521 51 HB3 LEU 7 1HB LEU 7 -18.257 11.497 -0.840 52 HG LEU 7 HG LEU 7 -15.332 10.764 -0.856 53 HD11 LEU 7 1HD1 LEU 7 -15.224 11.627 1.428 54 HD12 LEU 7 2HD1 LEU 7 -16.866 12.249 1.272 55 HD13 LEU 7 3HD1 LEU 7 -15.577 12.912 0.270 56 HD21 LEU 7 3HD2 LEU 7 -16.940 8.953 -0.441 57 HD22 LEU 7 1HD2 LEU 7 -17.643 9.886 0.878 58 HD23 LEU 7 2HD2 LEU 7 -15.977 9.315 0.993 59 H LEU 8 H LEU 8 -15.326 9.598 -1.995 60 HA LEU 8 HA LEU 8 -13.980 9.784 -4.557 61 HB2 LEU 8 2HB LEU 8 -12.852 10.937 -2.004 62 HB3 LEU 8 1HB LEU 8 -11.853 10.519 -3.376 63 HG LEU 8 HG LEU 8 -14.064 12.574 -3.438 64 HD11 LEU 8 1HD1 LEU 8 -12.228 13.274 -1.990 65 HD12 LEU 8 2HD1 LEU 8 -12.260 14.221 -3.476 66 HD13 LEU 8 3HD1 LEU 8 -11.073 12.931 -3.279 67 HD21 LEU 8 3HD2 LEU 8 -13.111 13.197 -5.589 68 HD22 LEU 8 1HD2 LEU 8 -13.616 11.508 -5.601 69 HD23 LEU 8 2HD2 LEU 8 -11.907 11.915 -5.442 70 H ASN 9 H ASN 9 -13.498 7.684 -4.919 71 HA ASN 9 HA ASN 9 -12.944 5.905 -2.703 72 HB2 ASN 9 2HB ASN 9 -12.906 5.373 -5.681 73 HB3 ASN 9 1HB ASN 9 -12.702 4.150 -4.431 74 HD21 ASN 9 1HD2 ASN 9 -14.484 3.600 -3.110 75 HD22 ASN 9 2HD2 ASN 9 -16.098 3.947 -3.623 76 H GLY 10 H GLY 10 -11.165 7.958 -2.808 77 HA2 GLY 10 2HA GLY 10 -8.684 6.529 -2.818 78 HA3 GLY 10 1HA GLY 10 -8.771 7.732 -4.102 79 H ILE 11 H ILE 11 -8.183 7.169 -0.822 80 HA ILE 11 HA ILE 11 -8.264 10.062 -0.237 81 HB ILE 11 HB ILE 11 -8.425 7.853 1.822 82 HG12 ILE 11 2HG1 ILE 11 -10.394 7.727 0.340 83 HG13 ILE 11 1HG1 ILE 11 -10.828 8.248 1.966 84 HG21 ILE 11 1HG2 ILE 11 -9.258 9.635 3.286 85 HG22 ILE 11 2HG2 ILE 11 -9.038 10.801 1.981 86 HG23 ILE 11 3HG2 ILE 11 -7.639 9.981 2.679 87 HD11 ILE 11 3HD1 ILE 11 -12.048 9.534 0.335 88 HD12 ILE 11 1HD1 ILE 11 -10.545 10.011 -0.456 89 HD13 ILE 11 2HD1 ILE 11 -10.898 10.573 1.177 90 H LYS 12 H LYS 12 -6.535 10.824 1.216 91 HA LYS 12 HA LYS 12 -4.056 9.510 0.371 92 HB2 LYS 12 2HB LYS 12 -4.616 11.911 -0.270 93 HB3 LYS 12 1HB LYS 12 -4.369 12.322 1.419 94 HG2 LYS 12 2HG LYS 12 -2.226 10.914 -0.114 95 HG3 LYS 12 1HG LYS 12 -2.451 12.652 -0.284 96 HD2 LYS 12 2HD LYS 12 -2.185 12.896 2.155 97 HD3 LYS 12 1HD LYS 12 -1.903 11.159 2.281 98 HE2 LYS 12 2HE LYS 12 0.200 12.409 2.275 99 HE3 LYS 12 1HE LYS 12 0.069 11.357 0.868 100 HZ1 LYS 12 3HZ LYS 12 -0.531 13.242 -0.482 101 HZ2 LYS 12 1HZ LYS 12 0.924 13.573 0.321 102 HZ3 LYS 12 2HZ LYS 12 -0.524 14.271 0.866 103 H LEU 13 H LEU 13 -2.575 8.823 1.739 104 HA LEU 13 HA LEU 13 -2.821 9.418 4.593 105 HB2 LEU 13 2HB LEU 13 -2.324 7.014 5.083 106 HB3 LEU 13 1HB LEU 13 -3.920 7.315 4.431 107 HG LEU 13 HG LEU 13 -1.665 6.418 2.650 108 HD11 LEU 13 1HD1 LEU 13 -3.530 4.680 4.260 109 HD12 LEU 13 2HD1 LEU 13 -1.780 4.793 4.442 110 HD13 LEU 13 3HD1 LEU 13 -2.469 4.115 2.968 111 HD21 LEU 13 3HD2 LEU 13 -4.674 6.156 2.487 112 HD22 LEU 13 1HD2 LEU 13 -3.524 5.535 1.302 113 HD23 LEU 13 2HD2 LEU 13 -3.677 7.274 1.552 114 H GLY 14 H GLY 14 -0.790 8.629 5.768 115 HA2 GLY 14 2HA GLY 14 1.561 8.709 4.018 116 HA3 GLY 14 1HA GLY 14 1.389 9.959 5.244 117 H VAL 15 H VAL 15 3.037 7.302 4.639 118 HA VAL 15 HA VAL 15 2.901 6.299 7.403 119 HB VAL 15 HB VAL 15 3.848 4.817 4.921 120 HG11 VAL 15 1HG1 VAL 15 4.018 2.869 6.371 121 HG12 VAL 15 2HG1 VAL 15 3.596 3.863 7.766 122 HG13 VAL 15 3HG1 VAL 15 5.105 4.152 6.901 123 HG21 VAL 15 3HG2 VAL 15 1.867 3.423 5.303 124 HG22 VAL 15 1HG2 VAL 15 1.446 5.100 4.957 125 HG23 VAL 15 2HG2 VAL 15 1.376 4.496 6.614 126 H TYR 16 H TYR 16 4.757 6.178 8.614 127 HA TYR 16 HA TYR 16 7.141 7.476 7.482 128 HB2 TYR 16 2HB TYR 16 5.899 7.494 10.137 129 HB3 TYR 16 1HB TYR 16 7.634 7.184 10.171 130 HD1 TYR 16 1HD TYR 16 8.331 8.836 7.733 131 HD2 TYR 16 2HD TYR 16 5.934 9.676 11.139 132 HE1 TYR 16 1HE TYR 16 8.841 11.209 7.481 133 HE2 TYR 16 2HE TYR 16 6.437 12.075 10.901 134 HH TYR 16 HH TYR 16 8.415 13.429 9.856 135 H ILE 17 H ILE 17 8.816 6.235 6.977 136 HA ILE 17 HA ILE 17 9.386 3.886 8.622 137 HB ILE 17 HB ILE 17 9.819 2.478 6.660 138 HG12 ILE 17 2HG1 ILE 17 8.588 4.760 5.101 139 HG13 ILE 17 1HG1 ILE 17 10.265 4.225 5.003 140 HG21 ILE 17 1HG2 ILE 17 7.480 2.048 6.061 141 HG22 ILE 17 2HG2 ILE 17 7.021 3.600 6.762 142 HG23 ILE 17 3HG2 ILE 17 7.674 2.325 7.791 143 HD11 ILE 17 3HD1 ILE 17 7.862 2.574 4.257 144 HD12 ILE 17 1HD1 ILE 17 9.551 2.092 4.106 145 HD13 ILE 17 2HD1 ILE 17 8.923 3.420 3.127 146 HA PRO 18 HA PRO 18 13.594 5.155 8.464 147 HB2 PRO 18 2HB PRO 18 14.351 2.366 7.803 148 HB3 PRO 18 1HB PRO 18 14.840 3.371 9.171 149 HG2 PRO 18 2HG PRO 18 13.113 1.375 9.501 150 HG3 PRO 18 1HG PRO 18 12.907 2.908 10.367 151 HD2 PRO 18 2HD PRO 18 11.475 1.893 7.941 152 HD3 PRO 18 1HD PRO 18 10.830 2.767 9.348 153 H GLN 19 H GLN 19 15.623 5.083 7.138 154 HA GLN 19 HA GLN 19 14.913 5.595 4.399 155 HB2 GLN 19 2HB GLN 19 17.024 6.569 4.158 156 HB3 GLN 19 1HB GLN 19 16.634 6.880 5.843 157 HG2 GLN 19 2HG GLN 19 17.975 4.834 6.422 158 HG3 GLN 19 1HG GLN 19 18.498 4.804 4.739 159 HE21 GLN 19 1HE2 GLN 19 18.756 6.443 7.773 160 HE22 GLN 19 2HE2 GLN 19 20.077 7.466 7.335 161 H GLU 20 H GLU 20 16.721 3.177 6.198 162 HA GLU 20 HA GLU 20 17.714 1.586 4.151 163 HB2 GLU 20 2HB GLU 20 16.376 0.445 6.608 164 HB3 GLU 20 1HB GLU 20 17.712 -0.237 5.697 165 HG2 GLU 20 2HG GLU 20 18.802 0.565 7.533 166 HG3 GLU 20 1HG GLU 20 18.948 1.942 6.443 167 H TRP 21 H TRP 21 14.469 1.959 5.322 168 HA TRP 21 HA TRP 21 13.311 -0.217 3.860 169 HB2 TRP 21 2HB TRP 21 12.354 2.077 5.506 170 HB3 TRP 21 1HB TRP 21 11.226 1.380 4.355 171 HD1 TRP 21 HD TRP 21 13.627 -0.459 6.842 172 HE1 TRP 21 1HE TRP 21 12.142 -2.004 8.288 173 HE3 TRP 21 3HE TRP 21 9.105 0.790 4.898 174 HZ2 TRP 21 2HZ TRP 21 9.350 -2.590 8.540 175 HZ3 TRP 21 3HZ TRP 21 7.086 -0.275 5.769 176 HH2 TRP 21 HH TRP 21 7.183 -1.908 7.541 177 H HIS 22 H HIS 22 13.102 3.308 3.678 178 HA HIS 22 HA HIS 22 11.636 3.602 1.378 179 HB2 HIS 22 2HB HIS 22 12.381 5.397 2.988 180 HB3 HIS 22 1HB HIS 22 13.941 5.388 2.171 181 HD1 HIS 22 1HD HIS 22 14.104 6.605 -0.073 182 HD2 HIS 22 2HD HIS 22 10.252 6.489 1.494 183 HE1 HIS 22 1HE HIS 22 12.759 8.228 -1.445 184 HE2 HIS 22 2HE HIS 22 10.532 8.358 -0.267 185 H ASP 23 H ASP 23 15.149 3.339 1.678 186 HA ASP 23 HA ASP 23 15.721 3.713 -1.056 187 HB2 ASP 23 2HB ASP 23 17.388 4.077 0.680 188 HB3 ASP 23 1HB ASP 23 17.355 2.366 1.095 189 H ARG 24 H ARG 24 15.547 0.700 0.880 190 HA ARG 24 HA ARG 24 16.253 -0.923 -1.377 191 HB2 ARG 24 2HB ARG 24 15.294 -1.498 1.406 192 HB3 ARG 24 1HB ARG 24 15.333 -2.785 0.213 193 HG2 ARG 24 2HG ARG 24 17.324 -2.772 1.628 194 HG3 ARG 24 1HG ARG 24 17.718 -2.504 -0.069 195 HD2 ARG 24 2HD ARG 24 18.262 -0.282 0.275 196 HD3 ARG 24 1HD ARG 24 17.317 -0.171 1.759 197 HE ARG 24 HE ARG 24 19.284 -1.977 2.338 198 HH11 ARG 24 1HH1 ARG 24 19.321 1.297 1.072 199 HH12 ARG 24 2HH1 ARG 24 20.769 1.742 1.925 200 HH21 ARG 24 1HH2 ARG 24 21.201 -1.405 3.428 201 HH22 ARG 24 2HH2 ARG 24 21.826 0.213 3.283 202 H LEU 25 H LEU 25 13.244 -0.001 0.175 203 HA LEU 25 HA LEU 25 11.553 -1.631 -1.389 204 HB2 LEU 25 2HB LEU 25 11.114 0.980 0.049 205 HB3 LEU 25 1HB LEU 25 9.830 0.177 -0.838 206 HG LEU 25 HG LEU 25 11.327 -0.993 1.509 207 HD11 LEU 25 1HD1 LEU 25 9.180 -0.707 2.689 208 HD12 LEU 25 2HD1 LEU 25 8.556 0.172 1.292 209 HD13 LEU 25 3HD1 LEU 25 9.909 0.826 2.214 210 HD21 LEU 25 3HD2 LEU 25 8.929 -2.023 -0.003 211 HD22 LEU 25 1HD2 LEU 25 9.644 -2.755 1.434 212 HD23 LEU 25 2HD2 LEU 25 10.559 -2.694 -0.073 213 H MET 26 H MET 26 12.825 1.650 -1.832 214 HA MET 26 HA MET 26 11.494 2.196 -4.249 215 HB2 MET 26 2HB MET 26 13.811 3.347 -2.818 216 HB3 MET 26 1HB MET 26 13.744 3.654 -4.548 217 HG2 MET 26 2HG MET 26 11.553 4.283 -2.582 218 HG3 MET 26 1HG MET 26 12.713 5.441 -3.230 219 HE1 MET 26 3HE MET 26 9.480 6.558 -5.087 220 HE2 MET 26 1HE MET 26 10.873 7.077 -4.137 221 HE3 MET 26 2HE MET 26 9.644 6.041 -3.409 222 H GLU 27 H GLU 27 14.623 0.640 -3.624 223 HA GLU 27 HA GLU 27 15.525 0.551 -6.265 224 HB2 GLU 27 2HB GLU 27 15.951 -1.388 -3.982 225 HB3 GLU 27 1HB GLU 27 16.792 -1.513 -5.520 226 HG2 GLU 27 2HG GLU 27 16.925 0.839 -3.648 227 HG3 GLU 27 1HG GLU 27 18.142 -0.428 -3.794 228 H ILE 28 H ILE 28 13.713 -1.896 -4.455 229 HA ILE 28 HA ILE 28 13.301 -3.642 -6.641 230 HB ILE 28 HB ILE 28 11.612 -3.281 -4.155 231 HG12 ILE 28 2HG1 ILE 28 13.885 -5.199 -4.728 232 HG13 ILE 28 1HG1 ILE 28 13.979 -3.787 -3.680 233 HG21 ILE 28 1HG2 ILE 28 11.769 -5.603 -6.076 234 HG22 ILE 28 2HG2 ILE 28 10.414 -4.487 -5.900 235 HG23 ILE 28 3HG2 ILE 28 10.847 -5.566 -4.574 236 HD11 ILE 28 3HD1 ILE 28 12.238 -6.202 -3.234 237 HD12 ILE 28 1HD1 ILE 28 12.331 -4.786 -2.187 238 HD13 ILE 28 2HD1 ILE 28 13.740 -5.826 -2.389 239 H ALA 29 H ALA 29 11.409 -0.986 -5.303 240 HA ALA 29 HA ALA 29 9.073 -1.377 -6.810 241 HB1 ALA 29 1HB ALA 29 9.146 0.009 -4.800 242 HB2 ALA 29 2HB ALA 29 8.490 0.902 -6.173 243 HB3 ALA 29 3HB ALA 29 10.149 1.186 -5.647 244 H LYS 30 H LYS 30 12.050 0.366 -7.536 245 HA LYS 30 HA LYS 30 10.922 1.711 -9.802 246 HB2 LYS 30 2HB LYS 30 13.795 1.344 -8.949 247 HB3 LYS 30 1HB LYS 30 13.278 2.365 -10.287 248 HG2 LYS 30 2HG LYS 30 12.083 3.814 -8.808 249 HG3 LYS 30 1HG LYS 30 12.367 2.734 -7.443 250 HD2 LYS 30 2HD LYS 30 13.897 4.581 -7.289 251 HD3 LYS 30 1HD LYS 30 14.808 3.131 -7.713 252 HE2 LYS 30 2HE LYS 30 15.531 5.085 -9.009 253 HE3 LYS 30 1HE LYS 30 14.865 3.817 -10.037 254 HZ1 LYS 30 3HZ LYS 30 12.907 5.020 -10.373 255 HZ2 LYS 30 1HZ LYS 30 14.134 6.180 -10.509 256 HZ3 LYS 30 2HZ LYS 30 13.209 6.081 -9.086 257 H GLU 31 H GLU 31 12.574 -1.298 -9.244 258 HA GLU 31 HA GLU 31 13.125 -1.990 -11.904 259 HB2 GLU 31 2HB GLU 31 12.113 -3.825 -9.731 260 HB3 GLU 31 1HB GLU 31 12.931 -4.319 -11.203 261 HG2 GLU 31 2HG GLU 31 14.952 -3.149 -10.444 262 HG3 GLU 31 1HG GLU 31 14.117 -2.731 -8.945 263 H LYS 32 H LYS 32 10.170 -2.315 -9.972 264 HA LYS 32 HA LYS 32 8.769 -3.446 -12.267 265 HB2 LYS 32 2HB LYS 32 7.931 -3.071 -9.397 266 HB3 LYS 32 1HB LYS 32 6.899 -3.775 -10.636 267 HG2 LYS 32 2HG LYS 32 7.733 -5.695 -9.791 268 HG3 LYS 32 1HG LYS 32 9.043 -5.350 -10.922 269 HD2 LYS 32 2HD LYS 32 10.259 -4.209 -9.085 270 HD3 LYS 32 1HD LYS 32 8.978 -4.698 -7.977 271 HE2 LYS 32 2HE LYS 32 10.620 -6.317 -7.669 272 HE3 LYS 32 1HE LYS 32 9.479 -7.089 -8.770 273 HZ1 LYS 32 3HZ LYS 32 10.981 -6.322 -10.616 274 HZ2 LYS 32 1HZ LYS 32 11.630 -7.516 -9.597 275 HZ3 LYS 32 2HZ LYS 32 12.119 -5.903 -9.424 276 H ASN 33 H ASN 33 9.402 -0.426 -11.216 277 HA ASN 33 HA ASN 33 8.605 1.641 -11.660 278 HB2 ASN 33 2HB ASN 33 8.295 0.765 -13.963 279 HB3 ASN 33 1HB ASN 33 6.662 0.267 -13.535 280 HD21 ASN 33 1HD2 ASN 33 5.831 1.588 -15.166 281 HD22 ASN 33 2HD2 ASN 33 5.725 3.303 -14.977 282 H LEU 34 H LEU 34 7.877 0.773 -9.389 283 HA LEU 34 HA LEU 34 5.150 1.782 -8.990 284 HB2 LEU 34 2HB LEU 34 6.442 -0.552 -7.559 285 HB3 LEU 34 1HB LEU 34 4.925 0.191 -7.086 286 HG LEU 34 HG LEU 34 5.398 -1.203 -9.718 287 HD11 LEU 34 1HD1 LEU 34 4.017 -2.995 -8.780 288 HD12 LEU 34 2HD1 LEU 34 3.989 -2.158 -7.228 289 HD13 LEU 34 3HD1 LEU 34 5.510 -2.779 -7.867 290 HD21 LEU 34 3HD2 LEU 34 3.676 0.519 -9.823 291 HD22 LEU 34 1HD2 LEU 34 2.878 -0.182 -8.417 292 HD23 LEU 34 2HD2 LEU 34 2.962 -1.091 -9.925 293 H THR 35 H THR 35 4.907 2.568 -6.675 294 HA THR 35 HA THR 35 7.483 3.591 -5.676 295 HB THR 35 HB THR 35 6.155 5.199 -4.354 296 HG1 THR 35 1HG THR 35 3.938 3.962 -5.691 297 HG21 THR 35 3HG2 THR 35 6.906 5.854 -6.582 298 HG22 THR 35 1HG2 THR 35 5.336 6.570 -6.221 299 HG23 THR 35 2HG2 THR 35 5.441 5.171 -7.288 300 H LEU 36 H LEU 36 7.883 3.479 -3.353 301 HA LEU 36 HA LEU 36 7.234 1.016 -2.161 302 HB2 LEU 36 2HB LEU 36 8.330 1.769 -0.214 303 HB3 LEU 36 1HB LEU 36 9.191 2.462 -1.569 304 HG LEU 36 HG LEU 36 7.151 4.008 0.019 305 HD11 LEU 36 1HD1 LEU 36 9.039 4.998 1.208 306 HD12 LEU 36 2HD1 LEU 36 10.140 3.889 0.389 307 HD13 LEU 36 3HD1 LEU 36 8.929 3.265 1.509 308 HD21 LEU 36 3HD2 LEU 36 7.656 4.904 -2.195 309 HD22 LEU 36 1HD2 LEU 36 9.381 4.870 -1.824 310 HD23 LEU 36 2HD2 LEU 36 8.307 5.944 -0.929 311 H SER 37 H SER 37 5.677 4.104 -2.122 312 HA SER 37 HA SER 37 3.764 3.763 -0.137 313 HB2 SER 37 2HB SER 37 3.968 5.860 -1.326 314 HB3 SER 37 1HB SER 37 3.598 5.085 -2.863 315 HG SER 37 HG SER 37 1.880 6.298 -1.628 316 H ASP 38 H ASP 38 3.711 2.716 -3.535 317 HA ASP 38 HA ASP 38 1.173 1.495 -3.457 318 HB2 ASP 38 2HB ASP 38 3.539 0.863 -5.237 319 HB3 ASP 38 1HB ASP 38 1.901 0.276 -5.496 320 H VAL 39 H VAL 39 4.444 0.167 -3.079 321 HA VAL 39 HA VAL 39 3.666 -2.520 -2.786 322 HB VAL 39 HB VAL 39 6.098 -1.180 -1.584 323 HG11 VAL 39 1HG1 VAL 39 5.582 -4.067 -2.291 324 HG12 VAL 39 2HG1 VAL 39 5.711 -3.394 -0.664 325 HG13 VAL 39 3HG1 VAL 39 7.117 -3.407 -1.729 326 HG21 VAL 39 3HG2 VAL 39 5.992 -0.720 -3.953 327 HG22 VAL 39 1HG2 VAL 39 5.709 -2.426 -4.302 328 HG23 VAL 39 2HG2 VAL 39 7.257 -1.908 -3.636 329 H CYS 40 H CYS 40 3.876 0.115 -0.491 330 HA CYS 40 HA CYS 40 3.698 -1.474 1.859 331 HB2 CYS 40 2HB CYS 40 4.530 0.961 1.551 332 HB3 CYS 40 1HB CYS 40 2.833 1.416 1.642 333 HG CYS 40 HG CYS 40 3.795 -0.552 4.150 334 H ARG 41 H ARG 41 1.218 0.652 0.364 335 HA ARG 41 HA ARG 41 -0.963 -0.404 1.727 336 HB2 ARG 41 2HB ARG 41 -2.343 0.461 -0.176 337 HB3 ARG 41 1HB ARG 41 -1.232 1.629 0.518 338 HG2 ARG 41 2HG ARG 41 -0.806 2.050 -1.646 339 HG3 ARG 41 1HG ARG 41 0.311 0.699 -1.452 340 HD2 ARG 41 2HD ARG 41 -0.786 0.047 -3.358 341 HD3 ARG 41 1HD ARG 41 -1.807 -0.712 -2.135 342 HE ARG 41 HE ARG 41 -2.568 1.965 -3.000 343 HH11 ARG 41 1HH1 ARG 41 -3.094 -1.479 -3.264 344 HH12 ARG 41 2HH1 ARG 41 -4.634 -1.329 -4.047 345 HH21 ARG 41 1HH2 ARG 41 -4.584 2.184 -4.060 346 HH22 ARG 41 2HH2 ARG 41 -5.467 0.762 -4.531 347 H LEU 42 H LEU 42 0.653 -1.677 -1.155 348 HA LEU 42 HA LEU 42 -1.312 -3.698 -1.643 349 HB2 LEU 42 2HB LEU 42 1.606 -3.579 -2.415 350 HB3 LEU 42 1HB LEU 42 0.481 -4.799 -2.979 351 HG LEU 42 HG LEU 42 0.277 -1.838 -3.529 352 HD11 LEU 42 1HD1 LEU 42 0.834 -2.461 -5.833 353 HD12 LEU 42 2HD1 LEU 42 1.059 -4.135 -5.327 354 HD13 LEU 42 3HD1 LEU 42 2.135 -2.879 -4.718 355 HD21 LEU 42 3HD2 LEU 42 -1.914 -2.916 -3.410 356 HD22 LEU 42 1HD2 LEU 42 -1.378 -4.154 -4.547 357 HD23 LEU 42 2HD2 LEU 42 -1.517 -2.476 -5.072 358 H ALA 43 H ALA 43 1.288 -3.299 0.555 359 HA ALA 43 HA ALA 43 1.704 -6.016 1.184 360 HB1 ALA 43 1HB ALA 43 3.377 -4.336 1.702 361 HB2 ALA 43 2HB ALA 43 2.872 -5.186 3.162 362 HB3 ALA 43 3HB ALA 43 2.265 -3.564 2.832 363 H ILE 44 H ILE 44 -0.391 -3.471 2.482 364 HA ILE 44 HA ILE 44 -1.352 -5.036 4.654 365 HB ILE 44 HB ILE 44 -2.972 -3.363 5.082 366 HG12 ILE 44 2HG1 ILE 44 -2.451 -2.238 2.317 367 HG13 ILE 44 1HG1 ILE 44 -3.882 -3.153 2.785 368 HG21 ILE 44 1HG2 ILE 44 -1.643 -1.301 5.049 369 HG22 ILE 44 2HG2 ILE 44 -0.513 -2.064 3.931 370 HG23 ILE 44 3HG2 ILE 44 -0.703 -2.700 5.565 371 HD11 ILE 44 3HD1 ILE 44 -4.344 -0.771 2.754 372 HD12 ILE 44 1HD1 ILE 44 -3.043 -0.489 3.913 373 HD13 ILE 44 2HD1 ILE 44 -4.468 -1.409 4.394 374 H LYS 45 H LYS 45 -2.295 -4.617 1.318 375 HA LYS 45 HA LYS 45 -4.787 -5.864 1.430 376 HB2 LYS 45 2HB LYS 45 -3.916 -4.676 -0.565 377 HB3 LYS 45 1HB LYS 45 -2.793 -6.001 -0.838 378 HG2 LYS 45 2HG LYS 45 -4.636 -7.532 -1.193 379 HG3 LYS 45 1HG LYS 45 -5.795 -6.251 -0.832 380 HD2 LYS 45 2HD LYS 45 -4.911 -4.978 -2.773 381 HD3 LYS 45 1HD LYS 45 -3.876 -6.357 -3.158 382 HE2 LYS 45 2HE LYS 45 -6.887 -6.432 -3.000 383 HE3 LYS 45 1HE LYS 45 -5.954 -6.313 -4.492 384 HZ1 LYS 45 3HZ LYS 45 -5.002 -8.459 -4.076 385 HZ2 LYS 45 1HZ LYS 45 -6.685 -8.594 -3.970 386 HZ3 LYS 45 2HZ LYS 45 -5.751 -8.567 -2.558 387 H GLU 46 H GLU 46 -1.559 -7.268 0.916 388 HA GLU 46 HA GLU 46 -2.546 -9.953 0.772 389 HB2 GLU 46 2HB GLU 46 -0.386 -9.111 -0.256 390 HB3 GLU 46 1HB GLU 46 0.283 -9.076 1.370 391 HG2 GLU 46 2HG GLU 46 -0.077 -11.465 1.592 392 HG3 GLU 46 1HG GLU 46 -0.811 -11.519 -0.007 393 H TYR 47 H TYR 47 -1.443 -7.787 3.246 394 HA TYR 47 HA TYR 47 -1.034 -9.627 5.320 395 HB2 TYR 47 2HB TYR 47 -0.352 -7.231 5.388 396 HB3 TYR 47 1HB TYR 47 -2.044 -6.782 5.542 397 HD1 TYR 47 1HD TYR 47 0.737 -8.535 7.221 398 HD2 TYR 47 2HD TYR 47 -3.123 -6.810 7.660 399 HE1 TYR 47 1HE TYR 47 0.951 -8.700 9.661 400 HE2 TYR 47 2HE TYR 47 -2.928 -6.983 10.106 401 HH TYR 47 HH TYR 47 0.047 -7.714 11.654 402 H LEU 48 H LEU 48 -3.892 -7.775 4.335 403 HA LEU 48 HA LEU 48 -5.672 -8.898 6.226 404 HB2 LEU 48 2HB LEU 48 -6.321 -7.799 3.486 405 HB3 LEU 48 1HB LEU 48 -7.458 -8.045 4.795 406 HG LEU 48 HG LEU 48 -5.204 -6.038 4.750 407 HD11 LEU 48 1HD1 LEU 48 -6.992 -4.386 4.714 408 HD12 LEU 48 2HD1 LEU 48 -8.195 -5.674 4.666 409 HD13 LEU 48 3HD1 LEU 48 -7.088 -5.451 3.312 410 HD21 LEU 48 3HD2 LEU 48 -5.553 -6.899 7.000 411 HD22 LEU 48 1HD2 LEU 48 -7.282 -6.575 6.870 412 HD23 LEU 48 2HD2 LEU 48 -6.130 -5.239 6.867 413 H ASP 49 H ASP 49 -4.713 -9.786 2.984 414 HA ASP 49 HA ASP 49 -6.652 -11.719 2.429 415 HB2 ASP 49 2HB ASP 49 -4.993 -10.680 0.841 416 HB3 ASP 49 1HB ASP 49 -3.773 -11.752 1.514 417 H ASN 50 H ASN 50 -3.511 -12.002 4.014 418 HA ASN 50 HA ASN 50 -3.702 -14.869 4.228 419 HB2 ASN 50 2HB ASN 50 -1.576 -13.541 3.841 420 HB3 ASN 50 1HB ASN 50 -1.667 -13.055 5.529 421 HD21 ASN 50 1HD2 ASN 50 0.271 -14.682 3.949 422 HD22 ASN 50 2HD2 ASN 50 0.444 -16.155 4.848 423 H HIS 51 H HIS 51 -4.023 -12.101 6.428 424 HA HIS 51 HA HIS 51 -4.348 -13.885 8.712 425 HB2 HIS 51 2HB HIS 51 -4.182 -10.891 8.443 426 HB3 HIS 51 1HB HIS 51 -4.647 -11.660 9.954 427 HD1 HIS 51 1HD HIS 51 -2.808 -12.358 11.468 428 HD2 HIS 51 2HD HIS 51 -1.475 -11.649 7.587 429 HE1 HIS 51 1HE HIS 51 -0.303 -12.491 11.572 430 HE2 HIS 51 2HE HIS 51 0.493 -11.866 9.267 431 H ASP 52 H ASP 52 -6.212 -11.264 7.192 432 HA ASP 52 HA ASP 52 -8.589 -12.104 8.670 433 HB2 ASP 52 2HB ASP 52 -7.900 -9.689 8.596 434 HB3 ASP 52 1HB ASP 52 -8.201 -9.702 6.861 435 H LYS 53 H LYS 53 -8.377 -14.084 7.272 436 HA LYS 53 HA LYS 53 -8.559 -14.103 4.509 437 HB2 LYS 53 2HB LYS 53 -9.646 -16.189 6.396 438 HB3 LYS 53 1HB LYS 53 -9.238 -16.432 4.705 439 HG2 LYS 53 2HG LYS 53 -6.881 -15.867 5.260 440 HG3 LYS 53 1HG LYS 53 -7.346 -15.828 6.963 441 HD2 LYS 53 2HD LYS 53 -7.528 -18.188 5.092 442 HD3 LYS 53 1HD LYS 53 -6.394 -17.986 6.428 443 HE2 LYS 53 2HE LYS 53 -8.196 -18.055 8.029 444 HE3 LYS 53 1HE LYS 53 -9.391 -18.100 6.734 445 HZ1 LYS 53 3HZ LYS 53 -9.070 -20.299 7.601 446 HZ2 LYS 53 1HZ LYS 53 -7.390 -20.204 7.367 447 HZ3 LYS 53 2HZ LYS 53 -8.433 -20.243 6.033 448 H GLN 54 H GLN 54 -11.276 -15.174 6.552 449 HA GLN 54 HA GLN 54 -13.068 -14.419 4.401 450 HB2 GLN 54 2HB GLN 54 -14.819 -15.574 5.734 451 HB3 GLN 54 1HB GLN 54 -13.458 -16.605 5.319 452 HG2 GLN 54 2HG GLN 54 -12.657 -16.627 7.506 453 HG3 GLN 54 1HG GLN 54 -13.616 -15.223 7.971 454 HE21 GLN 54 1HE2 GLN 54 -16.021 -16.202 6.645 455 HE22 GLN 54 2HE2 GLN 54 -16.635 -17.473 7.646 456 H LYS 55 H LYS 55 -13.998 -12.551 4.335 457 HA LYS 55 HA LYS 55 -14.307 -10.973 6.771 458 HB2 LYS 55 2HB LYS 55 -14.582 -10.299 3.837 459 HB3 LYS 55 1HB LYS 55 -15.004 -9.175 5.124 460 HG2 LYS 55 2HG LYS 55 -12.792 -9.012 5.869 461 HG3 LYS 55 1HG LYS 55 -12.295 -10.442 4.967 462 HD2 LYS 55 2HD LYS 55 -12.545 -9.269 2.878 463 HD3 LYS 55 1HD LYS 55 -13.217 -7.865 3.709 464 HE2 LYS 55 2HE LYS 55 -10.779 -7.707 3.046 465 HE3 LYS 55 1HE LYS 55 -11.157 -7.353 4.731 466 HZ1 LYS 55 3HZ LYS 55 -9.193 -8.781 4.453 467 HZ2 LYS 55 1HZ LYS 55 -10.159 -9.981 3.751 468 HZ3 LYS 55 2HZ LYS 55 -10.402 -9.527 5.371 469 H LYS 56 H LYS 56 -15.878 -12.488 7.550 470 HA LYS 56 HA LYS 56 -17.954 -13.260 8.004 471 HB2 LYS 56 2HB LYS 56 -18.937 -10.953 6.315 472 HB3 LYS 56 1HB LYS 56 -19.899 -11.896 7.444 473 HG2 LYS 56 2HG LYS 56 -18.436 -11.079 9.279 474 HG3 LYS 56 1HG LYS 56 -17.631 -10.031 8.108 475 HD2 LYS 56 2HD LYS 56 -19.285 -8.712 9.206 476 HD3 LYS 56 1HD LYS 56 -19.885 -9.054 7.581 477 HE2 LYS 56 2HE LYS 56 -21.697 -9.359 9.107 478 HE3 LYS 56 1HE LYS 56 -21.190 -10.951 8.541 479 HZ1 LYS 56 3HZ LYS 56 -19.952 -11.257 10.594 480 HZ2 LYS 56 1HZ LYS 56 -21.580 -10.927 10.936 481 HZ3 LYS 56 2HZ LYS 56 -20.412 -9.714 11.133 482 H1 GLY 2 1HT GLY 2 19.868 19.552 12.724 483 H2 GLY 2 2HT GLY 2 20.040 20.030 14.337 484 H3 GLY 2 3HT GLY 2 18.632 19.231 13.841 485 HA2 GLY 2 1HA GLY 2 21.369 18.116 14.060 486 HA3 GLY 2 2HA GLY 2 19.957 17.665 15.006 487 H ARG 3 H ARG 3 21.371 15.723 13.752 488 HA ARG 3 HA ARG 3 19.356 14.697 11.932 489 HB2 ARG 3 2HB ARG 3 21.061 13.984 10.265 490 HB3 ARG 3 1HB ARG 3 20.862 15.727 10.363 491 HG2 ARG 3 2HG ARG 3 22.886 15.905 11.687 492 HG3 ARG 3 1HG ARG 3 23.074 14.151 11.658 493 HD2 ARG 3 2HD ARG 3 23.256 14.236 9.201 494 HD3 ARG 3 1HD ARG 3 23.129 15.994 9.272 495 HE ARG 3 HE ARG 3 25.231 15.139 10.940 496 HH11 ARG 3 1HH1 ARG 3 24.454 15.408 7.524 497 HH12 ARG 3 2HH1 ARG 3 26.111 15.617 7.046 498 HH21 ARG 3 1HH2 ARG 3 27.382 15.370 10.314 499 HH22 ARG 3 2HH2 ARG 3 27.791 15.560 8.633 500 HA PRO 4 HA PRO 4 20.468 11.295 14.634 501 HB2 PRO 4 2HB PRO 4 18.368 9.720 13.986 502 HB3 PRO 4 1HB PRO 4 18.216 11.107 15.070 503 HG2 PRO 4 2HG PRO 4 17.524 10.881 12.169 504 HG3 PRO 4 1HG PRO 4 16.632 11.684 13.474 505 HD2 PRO 4 2HD PRO 4 18.207 13.012 11.685 506 HD3 PRO 4 1HD PRO 4 17.907 13.587 13.337 507 H TYR 5 H TYR 5 21.757 9.624 14.286 508 HA TYR 5 HA TYR 5 22.952 7.971 13.318 509 HB2 TYR 5 2HB TYR 5 20.509 7.763 11.556 510 HB3 TYR 5 1HB TYR 5 21.860 6.641 11.477 511 HD1 TYR 5 1HD TYR 5 22.372 5.208 13.468 512 HD2 TYR 5 2HD TYR 5 18.832 7.554 13.210 513 HE1 TYR 5 1HE TYR 5 21.341 3.832 15.225 514 HE2 TYR 5 2HE TYR 5 17.794 6.190 14.971 515 HH TYR 5 HH TYR 5 18.058 3.848 15.871 516 H LYS 6 H LYS 6 21.407 8.933 10.305 517 HA LYS 6 HA LYS 6 24.083 9.545 9.253 518 HB2 LYS 6 2HB LYS 6 21.618 8.716 7.710 519 HB3 LYS 6 1HB LYS 6 23.245 8.911 7.067 520 HG2 LYS 6 2HG LYS 6 24.023 7.065 8.459 521 HG3 LYS 6 1HG LYS 6 22.397 6.870 9.114 522 HD2 LYS 6 2HD LYS 6 21.567 6.388 6.848 523 HD3 LYS 6 1HD LYS 6 23.211 6.534 6.229 524 HE2 LYS 6 2HE LYS 6 22.234 4.513 8.243 525 HE3 LYS 6 1HE LYS 6 22.617 4.197 6.553 526 HZ1 LYS 6 3HZ LYS 6 24.503 4.974 8.711 527 HZ2 LYS 6 1HZ LYS 6 24.926 4.947 7.067 528 HZ3 LYS 6 2HZ LYS 6 24.464 3.516 7.849 529 H LEU 7 H LEU 7 20.711 10.416 8.486 530 HA LEU 7 HA LEU 7 21.349 13.216 8.758 531 HB2 LEU 7 2HB LEU 7 20.516 13.844 6.526 532 HB3 LEU 7 1HB LEU 7 22.004 12.929 6.471 533 HG LEU 7 HG LEU 7 19.358 11.574 6.014 534 HD11 LEU 7 1HD1 LEU 7 19.711 11.948 3.603 535 HD12 LEU 7 2HD1 LEU 7 21.046 13.037 3.987 536 HD13 LEU 7 3HD1 LEU 7 19.402 13.444 4.482 537 HD21 LEU 7 3HD2 LEU 7 21.304 10.147 6.357 538 HD22 LEU 7 1HD2 LEU 7 22.175 11.008 5.088 539 HD23 LEU 7 2HD2 LEU 7 20.749 10.052 4.685 540 H LEU 8 H LEU 8 18.757 11.413 7.108 541 HA LEU 8 HA LEU 8 16.901 12.219 9.221 542 HB2 LEU 8 2HB LEU 8 16.487 12.674 6.263 543 HB3 LEU 8 1HB LEU 8 15.216 12.804 7.463 544 HG LEU 8 HG LEU 8 17.697 14.530 7.399 545 HD11 LEU 8 1HD1 LEU 8 14.871 15.154 6.552 546 HD12 LEU 8 2HD1 LEU 8 16.264 14.980 5.483 547 HD13 LEU 8 3HD1 LEU 8 16.202 16.308 6.641 548 HD21 LEU 8 3HD2 LEU 8 15.174 14.722 9.043 549 HD22 LEU 8 1HD2 LEU 8 16.498 15.890 9.042 550 HD23 LEU 8 2HD2 LEU 8 16.765 14.252 9.638 551 H ASN 9 H ASN 9 16.939 10.063 9.873 552 HA ASN 9 HA ASN 9 16.297 7.970 7.988 553 HB2 ASN 9 2HB ASN 9 16.719 7.903 10.986 554 HB3 ASN 9 1HB ASN 9 16.427 6.481 9.993 555 HD21 ASN 9 1HD2 ASN 9 18.363 5.504 10.404 556 HD22 ASN 9 2HD2 ASN 9 19.883 6.133 9.856 557 H GLY 10 H GLY 10 14.299 9.661 7.826 558 HA2 GLY 10 2HA GLY 10 12.024 8.106 8.622 559 HA3 GLY 10 1HA GLY 10 12.129 9.638 9.489 560 H ILE 11 H ILE 11 10.977 8.147 6.720 561 HA ILE 11 HA ILE 11 11.069 10.659 5.165 562 HB ILE 11 HB ILE 11 11.021 7.873 3.998 563 HG12 ILE 11 2HG1 ILE 11 13.149 8.279 5.193 564 HG13 ILE 11 1HG1 ILE 11 13.377 8.157 3.450 565 HG21 ILE 11 1HG2 ILE 11 11.572 8.995 1.909 566 HG22 ILE 11 2HG2 ILE 11 11.553 10.554 2.733 567 HG23 ILE 11 3HG2 ILE 11 10.066 9.617 2.581 568 HD11 ILE 11 3HD1 ILE 11 14.726 9.944 4.399 569 HD12 ILE 11 1HD1 ILE 11 13.277 10.709 5.051 570 HD13 ILE 11 2HD1 ILE 11 13.504 10.596 3.307 571 H LYS 12 H LYS 12 9.213 11.321 4.170 572 HA LYS 12 HA LYS 12 6.782 9.944 5.050 573 HB2 LYS 12 2HB LYS 12 7.255 12.352 5.707 574 HB3 LYS 12 1HB LYS 12 7.037 12.773 4.018 575 HG2 LYS 12 2HG LYS 12 4.892 11.313 5.502 576 HG3 LYS 12 1HG LYS 12 5.076 13.058 5.676 577 HD2 LYS 12 2HD LYS 12 4.968 13.196 3.157 578 HD3 LYS 12 1HD LYS 12 4.497 11.494 3.167 579 HE2 LYS 12 2HE LYS 12 2.553 12.985 3.044 580 HE3 LYS 12 1HE LYS 12 2.550 12.022 4.522 581 HZ1 LYS 12 3HZ LYS 12 3.507 14.832 4.343 582 HZ2 LYS 12 1HZ LYS 12 3.359 13.905 5.755 583 HZ3 LYS 12 2HZ LYS 12 1.973 14.374 4.904 584 H LEU 13 H LEU 13 5.532 8.979 3.630 585 HA LEU 13 HA LEU 13 5.745 9.725 0.798 586 HB2 LEU 13 2HB LEU 13 5.281 7.248 0.342 587 HB3 LEU 13 1HB LEU 13 6.899 7.700 0.836 588 HG LEU 13 HG LEU 13 4.995 6.815 2.949 589 HD11 LEU 13 1HD1 LEU 13 4.681 5.156 1.200 590 HD12 LEU 13 2HD1 LEU 13 5.603 4.478 2.542 591 HD13 LEU 13 3HD1 LEU 13 6.427 4.956 1.057 592 HD21 LEU 13 3HD2 LEU 13 7.953 6.432 2.476 593 HD22 LEU 13 1HD2 LEU 13 7.064 5.908 3.907 594 HD23 LEU 13 2HD2 LEU 13 7.221 7.630 3.548 595 H GLY 14 H GLY 14 3.864 9.601 -0.406 596 HA2 GLY 14 2HA GLY 14 1.429 9.627 1.239 597 HA3 GLY 14 1HA GLY 14 1.630 10.420 -0.316 598 H VAL 15 H VAL 15 0.019 8.063 1.101 599 HA VAL 15 HA VAL 15 0.187 6.188 -1.160 600 HB VAL 15 HB VAL 15 -1.037 5.645 1.553 601 HG11 VAL 15 1HG1 VAL 15 -1.817 4.189 -0.230 602 HG12 VAL 15 2HG1 VAL 15 -0.813 3.300 0.917 603 HG13 VAL 15 3HG1 VAL 15 -0.151 3.786 -0.644 604 HG21 VAL 15 3HG2 VAL 15 1.314 6.144 1.876 605 HG22 VAL 15 1HG2 VAL 15 1.752 4.996 0.610 606 HG23 VAL 15 2HG2 VAL 15 1.015 4.422 2.106 607 H TYR 16 H TYR 16 -1.822 5.351 -2.008 608 HA TYR 16 HA TYR 16 -4.238 6.831 -1.248 609 HB2 TYR 16 2HB TYR 16 -2.931 6.779 -3.891 610 HB3 TYR 16 1HB TYR 16 -4.669 6.498 -3.902 611 HD1 TYR 16 1HD TYR 16 -6.088 8.187 -2.529 612 HD2 TYR 16 2HD TYR 16 -2.137 8.965 -3.899 613 HE1 TYR 16 1HE TYR 16 -6.498 10.591 -2.318 614 HE2 TYR 16 2HE TYR 16 -2.540 11.383 -3.698 615 HH TYR 16 HH TYR 16 -5.315 12.669 -2.102 616 H ILE 17 H ILE 17 -5.860 5.548 -0.811 617 HA ILE 17 HA ILE 17 -6.236 3.056 -2.264 618 HB ILE 17 HB ILE 17 -6.602 1.753 -0.182 619 HG12 ILE 17 2HG1 ILE 17 -5.291 4.126 1.155 620 HG13 ILE 17 1HG1 ILE 17 -6.954 3.595 1.388 621 HG21 ILE 17 1HG2 ILE 17 -4.223 1.393 0.333 622 HG22 ILE 17 2HG2 ILE 17 -3.827 2.860 -0.564 623 HG23 ILE 17 3HG2 ILE 17 -4.541 1.479 -1.400 624 HD11 ILE 17 3HD1 ILE 17 -6.130 1.495 2.342 625 HD12 ILE 17 1HD1 ILE 17 -5.552 2.904 3.238 626 HD13 ILE 17 2HD1 ILE 17 -4.474 2.060 2.124 627 HA PRO 18 HA PRO 18 -10.509 3.942 -2.149 628 HB2 PRO 18 2HB PRO 18 -11.615 1.565 -1.254 629 HB3 PRO 18 1HB PRO 18 -11.127 1.900 -2.916 630 HG2 PRO 18 2HG PRO 18 -9.650 0.437 -0.767 631 HG3 PRO 18 1HG PRO 18 -9.783 0.064 -2.499 632 HD2 PRO 18 2HD PRO 18 -7.581 1.202 -1.502 633 HD3 PRO 18 1HD PRO 18 -8.216 1.673 -3.093 634 H GLN 19 H GLN 19 -12.357 4.328 -0.878 635 HA GLN 19 HA GLN 19 -11.794 5.185 1.757 636 HB2 GLN 19 2HB GLN 19 -13.419 6.282 0.245 637 HB3 GLN 19 1HB GLN 19 -14.458 4.871 0.353 638 HG2 GLN 19 2HG GLN 19 -13.728 6.123 2.916 639 HG3 GLN 19 1HG GLN 19 -14.747 7.086 1.847 640 HE21 GLN 19 1HE2 GLN 19 -14.536 4.230 3.807 641 HE22 GLN 19 2HE2 GLN 19 -16.224 3.844 3.785 642 H GLU 20 H GLU 20 -13.421 2.399 0.391 643 HA GLU 20 HA GLU 20 -14.555 1.265 2.664 644 HB2 GLU 20 2HB GLU 20 -13.336 -0.037 0.225 645 HB3 GLU 20 1HB GLU 20 -14.262 -0.914 1.431 646 HG2 GLU 20 2HG GLU 20 -15.583 -0.359 -0.554 647 HG3 GLU 20 1HG GLU 20 -16.240 0.363 0.913 648 H TRP 21 H TRP 21 -11.249 1.339 1.588 649 HA TRP 21 HA TRP 21 -10.315 -0.666 3.424 650 HB2 TRP 21 2HB TRP 21 -9.127 1.124 1.389 651 HB3 TRP 21 1HB TRP 21 -8.078 0.728 2.746 652 HD1 TRP 21 HD TRP 21 -10.467 -1.990 1.551 653 HE1 TRP 21 1HE TRP 21 -9.095 -3.839 0.386 654 HE3 TRP 21 3HE TRP 21 -5.958 0.377 1.368 655 HZ2 TRP 21 2HZ TRP 21 -6.424 -4.223 -0.487 656 HZ3 TRP 21 3HZ TRP 21 -4.045 -0.788 0.364 657 HH2 TRP 21 HH TRP 21 -4.272 -3.026 -0.540 658 H HIS 22 H HIS 22 -10.166 2.877 3.203 659 HA HIS 22 HA HIS 22 -8.855 3.378 5.617 660 HB2 HIS 22 2HB HIS 22 -10.832 4.964 4.004 661 HB3 HIS 22 1HB HIS 22 -10.271 5.561 5.564 662 HD1 HIS 22 1HD HIS 22 -8.235 6.947 5.492 663 HD2 HIS 22 2HD HIS 22 -8.533 4.466 2.166 664 HE1 HIS 22 1HE HIS 22 -6.296 7.560 4.009 665 HE2 HIS 22 2HE HIS 22 -6.607 6.175 1.929 666 H ASP 23 H ASP 23 -12.230 2.756 4.925 667 HA ASP 23 HA ASP 23 -13.384 3.400 7.378 668 HB2 ASP 23 2HB ASP 23 -14.546 2.804 5.205 669 HB3 ASP 23 1HB ASP 23 -14.223 1.117 5.580 670 H ARG 24 H ARG 24 -12.333 0.189 6.218 671 HA ARG 24 HA ARG 24 -12.815 -0.969 8.793 672 HB2 ARG 24 2HB ARG 24 -11.793 -1.997 6.189 673 HB3 ARG 24 1HB ARG 24 -11.521 -2.950 7.642 674 HG2 ARG 24 2HG ARG 24 -13.511 -3.739 6.620 675 HG3 ARG 24 1HG ARG 24 -13.973 -2.860 8.077 676 HD2 ARG 24 2HD ARG 24 -14.316 -0.849 6.546 677 HD3 ARG 24 1HD ARG 24 -14.216 -1.999 5.217 678 HE ARG 24 HE ARG 24 -16.185 -2.304 7.385 679 HH11 ARG 24 1HH1 ARG 24 -15.522 -2.092 3.921 680 HH12 ARG 24 2HH1 ARG 24 -17.154 -2.476 3.481 681 HH21 ARG 24 1HH2 ARG 24 -18.296 -2.773 6.782 682 HH22 ARG 24 2HH2 ARG 24 -18.730 -2.853 5.096 683 H LEU 25 H LEU 25 -9.977 0.273 7.145 684 HA LEU 25 HA LEU 25 -8.029 -0.864 8.831 685 HB2 LEU 25 2HB LEU 25 -8.029 1.729 7.289 686 HB3 LEU 25 1HB LEU 25 -6.638 1.140 8.177 687 HG LEU 25 HG LEU 25 -7.939 -0.234 5.826 688 HD11 LEU 25 1HD1 LEU 25 -5.834 0.290 4.695 689 HD12 LEU 25 2HD1 LEU 25 -5.289 1.164 6.126 690 HD13 LEU 25 3HD1 LEU 25 -6.677 1.749 5.213 691 HD21 LEU 25 3HD2 LEU 25 -5.492 -1.005 7.413 692 HD22 LEU 25 1HD2 LEU 25 -6.091 -1.817 5.967 693 HD23 LEU 25 2HD2 LEU 25 -7.045 -1.839 7.451 694 H MET 26 H MET 26 -9.815 2.191 9.035 695 HA MET 26 HA MET 26 -8.500 3.129 11.340 696 HB2 MET 26 2HB MET 26 -11.181 3.800 10.148 697 HB3 MET 26 1HB MET 26 -10.540 4.615 11.571 698 HG2 MET 26 2HG MET 26 -9.204 4.508 8.874 699 HG3 MET 26 1HG MET 26 -10.134 5.872 9.504 700 HE1 MET 26 3HE MET 26 -7.169 6.157 8.396 701 HE2 MET 26 1HE MET 26 -6.453 7.210 9.618 702 HE3 MET 26 2HE MET 26 -8.096 7.510 9.047 703 H GLU 27 H GLU 27 -11.402 1.147 10.939 704 HA GLU 27 HA GLU 27 -12.120 1.125 13.664 705 HB2 GLU 27 2HB GLU 27 -12.563 -0.881 11.454 706 HB3 GLU 27 1HB GLU 27 -13.231 -1.085 13.068 707 HG2 GLU 27 2HG GLU 27 -13.802 1.187 11.177 708 HG3 GLU 27 1HG GLU 27 -14.879 -0.155 11.566 709 H ILE 28 H ILE 28 -10.018 -1.006 11.781 710 HA ILE 28 HA ILE 28 -9.329 -2.751 13.899 711 HB ILE 28 HB ILE 28 -7.853 -2.036 11.359 712 HG12 ILE 28 2HG1 ILE 28 -9.520 -4.454 12.086 713 HG13 ILE 28 1HG1 ILE 28 -10.058 -3.123 11.067 714 HG21 ILE 28 1HG2 ILE 28 -6.272 -2.882 13.003 715 HG22 ILE 28 2HG2 ILE 28 -6.525 -4.059 11.714 716 HG23 ILE 28 3HG2 ILE 28 -7.296 -4.289 13.283 717 HD11 ILE 28 3HD1 ILE 28 -9.413 -5.028 9.724 718 HD12 ILE 28 1HD1 ILE 28 -7.811 -5.032 10.462 719 HD13 ILE 28 2HD1 ILE 28 -8.309 -3.680 9.445 720 H ALA 29 H ALA 29 -8.172 0.336 12.834 721 HA ALA 29 HA ALA 29 -5.681 0.404 14.140 722 HB1 ALA 29 1HB ALA 29 -5.769 2.811 13.778 723 HB2 ALA 29 2HB ALA 29 -7.486 2.701 13.391 724 HB3 ALA 29 3HB ALA 29 -6.293 1.939 12.337 725 H LYS 30 H LYS 30 -8.928 1.144 15.208 726 HA LYS 30 HA LYS 30 -8.060 2.436 17.629 727 HB2 LYS 30 2HB LYS 30 -10.815 1.377 17.000 728 HB3 LYS 30 1HB LYS 30 -10.387 2.628 18.163 729 HG2 LYS 30 2HG LYS 30 -9.724 4.120 16.372 730 HG3 LYS 30 1HG LYS 30 -10.066 2.871 15.176 731 HD2 LYS 30 2HD LYS 30 -11.913 4.371 15.198 732 HD3 LYS 30 1HD LYS 30 -12.437 2.881 15.984 733 HE2 LYS 30 2HE LYS 30 -13.217 4.838 17.205 734 HE3 LYS 30 1HE LYS 30 -12.076 3.904 18.168 735 HZ1 LYS 30 3HZ LYS 30 -11.347 6.323 16.602 736 HZ2 LYS 30 1HZ LYS 30 -10.354 5.477 17.686 737 HZ3 LYS 30 2HZ LYS 30 -11.701 6.331 18.259 738 H GLU 31 H GLU 31 -9.312 -0.706 16.698 739 HA GLU 31 HA GLU 31 -9.649 -1.777 19.268 740 HB2 GLU 31 2HB GLU 31 -8.950 -3.199 16.704 741 HB3 GLU 31 1HB GLU 31 -9.538 -3.975 18.163 742 HG2 GLU 31 2HG GLU 31 -11.636 -2.706 17.945 743 HG3 GLU 31 1HG GLU 31 -11.037 -2.045 16.419 744 H LYS 32 H LYS 32 -6.934 -2.005 17.002 745 HA LYS 32 HA LYS 32 -5.537 -3.731 18.890 746 HB2 LYS 32 2HB LYS 32 -5.082 -3.184 15.961 747 HB3 LYS 32 1HB LYS 32 -4.093 -4.272 16.934 748 HG2 LYS 32 2HG LYS 32 -5.913 -5.740 17.312 749 HG3 LYS 32 1HG LYS 32 -7.070 -4.581 16.656 750 HD2 LYS 32 2HD LYS 32 -6.054 -4.828 14.443 751 HD3 LYS 32 1HD LYS 32 -4.901 -5.989 15.105 752 HE2 LYS 32 2HE LYS 32 -6.829 -7.042 13.939 753 HE3 LYS 32 1HE LYS 32 -6.656 -7.536 15.620 754 HZ1 LYS 32 3HZ LYS 32 -8.514 -5.395 14.739 755 HZ2 LYS 32 1HZ LYS 32 -8.449 -6.140 16.259 756 HZ3 LYS 32 2HZ LYS 32 -8.978 -7.010 14.903 757 H ASN 33 H ASN 33 -5.592 -0.529 18.311 758 HA ASN 33 HA ASN 33 -4.287 1.198 18.985 759 HB2 ASN 33 2HB ASN 33 -3.812 -0.184 20.974 760 HB3 ASN 33 1HB ASN 33 -2.473 -0.943 20.123 761 HD21 ASN 33 1HD2 ASN 33 -1.025 -0.265 21.679 762 HD22 ASN 33 2HD2 ASN 33 -0.499 1.376 21.797 763 H LEU 34 H LEU 34 -4.171 0.797 16.495 764 HA LEU 34 HA LEU 34 -1.358 1.094 15.719 765 HB2 LEU 34 2HB LEU 34 -3.436 -0.568 14.281 766 HB3 LEU 34 1HB LEU 34 -1.871 -0.139 13.611 767 HG LEU 34 HG LEU 34 -2.241 -1.773 16.124 768 HD11 LEU 34 1HD1 LEU 34 -1.592 -3.687 14.717 769 HD12 LEU 34 2HD1 LEU 34 -1.668 -2.647 13.294 770 HD13 LEU 34 3HD1 LEU 34 -3.131 -2.981 14.220 771 HD21 LEU 34 3HD2 LEU 34 -0.115 -0.553 15.967 772 HD22 LEU 34 1HD2 LEU 34 0.177 -1.279 14.386 773 HD23 LEU 34 2HD2 LEU 34 0.117 -2.295 15.825 774 H THR 35 H THR 35 -1.149 2.252 13.624 775 HA THR 35 HA THR 35 -3.591 3.733 12.892 776 HB THR 35 HB THR 35 -2.222 5.541 12.038 777 HG1 THR 35 1HG THR 35 0.112 4.252 13.041 778 HG21 THR 35 3HG2 THR 35 -2.775 5.640 14.419 779 HG22 THR 35 1HG2 THR 35 -1.200 6.371 14.106 780 HG23 THR 35 2HG2 THR 35 -1.301 4.755 14.806 781 H LEU 36 H LEU 36 -3.789 4.178 10.559 782 HA LEU 36 HA LEU 36 -3.351 1.918 8.975 783 HB2 LEU 36 2HB LEU 36 -4.157 3.173 7.141 784 HB3 LEU 36 1HB LEU 36 -5.036 3.710 8.557 785 HG LEU 36 HG LEU 36 -2.734 5.219 7.307 786 HD11 LEU 36 1HD1 LEU 36 -4.466 6.733 6.455 787 HD12 LEU 36 2HD1 LEU 36 -5.710 5.642 7.067 788 HD13 LEU 36 3HD1 LEU 36 -4.622 5.110 5.785 789 HD21 LEU 36 3HD2 LEU 36 -4.737 5.999 9.427 790 HD22 LEU 36 1HD2 LEU 36 -3.578 7.090 8.671 791 HD23 LEU 36 2HD2 LEU 36 -3.006 5.746 9.658 792 H SER 37 H SER 37 -1.422 4.750 9.548 793 HA SER 37 HA SER 37 0.593 4.387 7.635 794 HB2 SER 37 2HB SER 37 0.212 6.372 9.196 795 HB3 SER 37 1HB SER 37 1.004 5.417 10.448 796 HG SER 37 HG SER 37 2.061 6.639 8.185 797 H ASP 38 H ASP 38 0.337 3.238 10.996 798 HA ASP 38 HA ASP 38 2.737 1.782 11.073 799 HB2 ASP 38 2HB ASP 38 0.176 1.491 12.642 800 HB3 ASP 38 1HB ASP 38 1.577 0.468 12.930 801 H VAL 39 H VAL 39 -0.542 0.837 10.162 802 HA VAL 39 HA VAL 39 -0.060 -1.924 9.956 803 HB VAL 39 HB VAL 39 -2.096 -0.264 8.449 804 HG11 VAL 39 1HG1 VAL 39 -1.975 -3.238 8.941 805 HG12 VAL 39 2HG1 VAL 39 -1.774 -2.424 7.389 806 HG13 VAL 39 3HG1 VAL 39 -3.332 -2.378 8.213 807 HG21 VAL 39 3HG2 VAL 39 -2.311 -0.050 10.871 808 HG22 VAL 39 1HG2 VAL 39 -2.348 -1.806 11.031 809 HG23 VAL 39 2HG2 VAL 39 -3.655 -0.969 10.194 810 H CYS 40 H CYS 40 0.334 0.706 7.619 811 HA CYS 40 HA CYS 40 0.780 -0.930 5.375 812 HB2 CYS 40 2HB CYS 40 1.603 1.908 5.968 813 HB3 CYS 40 1HB CYS 40 1.887 1.165 4.417 814 HG CYS 40 HG CYS 40 -1.113 1.917 5.866 815 H ARG 41 H ARG 41 3.302 0.933 7.100 816 HA ARG 41 HA ARG 41 5.479 -0.441 6.202 817 HB2 ARG 41 2HB ARG 41 6.598 0.338 8.336 818 HB3 ARG 41 1HB ARG 41 5.830 1.579 7.359 819 HG2 ARG 41 2HG ARG 41 5.068 2.231 9.372 820 HG3 ARG 41 1HG ARG 41 3.806 1.057 9.001 821 HD2 ARG 41 2HD ARG 41 4.540 0.685 11.255 822 HD3 ARG 41 1HD ARG 41 5.118 -0.654 10.254 823 HE ARG 41 HE ARG 41 7.164 1.199 10.278 824 HH11 ARG 41 1HH1 ARG 41 5.380 -0.564 12.720 825 HH12 ARG 41 2HH1 ARG 41 6.730 -0.691 13.804 826 HH21 ARG 41 1HH2 ARG 41 8.936 1.068 11.710 827 HH22 ARG 41 2HH2 ARG 41 8.748 0.269 13.238 828 H LEU 42 H LEU 42 3.468 -1.355 9.031 829 HA LEU 42 HA LEU 42 5.201 -3.433 9.886 830 HB2 LEU 42 2HB LEU 42 2.276 -2.910 10.342 831 HB3 LEU 42 1HB LEU 42 3.044 -4.364 10.948 832 HG LEU 42 HG LEU 42 3.884 -1.556 11.663 833 HD11 LEU 42 1HD1 LEU 42 2.867 -2.022 13.836 834 HD12 LEU 42 2HD1 LEU 42 2.293 -3.579 13.238 835 HD13 LEU 42 3HD1 LEU 42 1.670 -2.082 12.542 836 HD21 LEU 42 3HD2 LEU 42 5.214 -2.668 13.391 837 HD22 LEU 42 1HD2 LEU 42 5.703 -3.177 11.775 838 HD23 LEU 42 2HD2 LEU 42 4.707 -4.240 12.771 839 H ALA 43 H ALA 43 2.588 -3.280 7.574 840 HA ALA 43 HA ALA 43 2.414 -6.085 7.188 841 HB1 ALA 43 1HB ALA 43 1.041 -5.545 5.253 842 HB2 ALA 43 2HB ALA 43 1.510 -3.850 5.385 843 HB3 ALA 43 3HB ALA 43 0.553 -4.603 6.661 844 H ILE 44 H ILE 44 4.512 -3.606 5.968 845 HA ILE 44 HA ILE 44 5.449 -5.051 3.699 846 HB ILE 44 HB ILE 44 6.750 -2.843 5.301 847 HG12 ILE 44 2HG1 ILE 44 5.338 -2.955 2.633 848 HG13 ILE 44 1HG1 ILE 44 4.834 -2.078 4.075 849 HG21 ILE 44 1HG2 ILE 44 8.398 -2.667 3.494 850 HG22 ILE 44 2HG2 ILE 44 7.713 -4.103 2.732 851 HG23 ILE 44 3HG2 ILE 44 8.494 -4.229 4.308 852 HD11 ILE 44 3HD1 ILE 44 6.717 -0.571 3.847 853 HD12 ILE 44 1HD1 ILE 44 5.757 -0.592 2.371 854 HD13 ILE 44 2HD1 ILE 44 7.290 -1.466 2.440 855 H LYS 45 H LYS 45 6.435 -4.829 7.079 856 HA LYS 45 HA LYS 45 8.700 -6.459 6.928 857 HB2 LYS 45 2HB LYS 45 8.040 -5.105 8.915 858 HB3 LYS 45 1HB LYS 45 6.761 -6.265 9.243 859 HG2 LYS 45 2HG LYS 45 8.437 -8.024 9.532 860 HG3 LYS 45 1HG LYS 45 9.714 -6.846 9.224 861 HD2 LYS 45 2HD LYS 45 8.982 -5.563 11.191 862 HD3 LYS 45 1HD LYS 45 7.735 -6.774 11.504 863 HE2 LYS 45 2HE LYS 45 10.715 -7.248 11.486 864 HE3 LYS 45 1HE LYS 45 9.688 -7.149 12.915 865 HZ1 LYS 45 3HZ LYS 45 8.494 -9.108 12.151 866 HZ2 LYS 45 1HZ LYS 45 10.150 -9.441 12.316 867 HZ3 LYS 45 2HZ LYS 45 9.481 -9.206 10.776 868 H GLU 46 H GLU 46 5.294 -7.255 7.307 869 HA GLU 46 HA GLU 46 5.645 -10.088 7.507 870 HB2 GLU 46 2HB GLU 46 3.630 -8.864 8.305 871 HB3 GLU 46 1HB GLU 46 3.239 -8.456 6.643 872 HG2 GLU 46 2HG GLU 46 1.841 -10.240 7.127 873 HG3 GLU 46 1HG GLU 46 3.168 -10.978 6.235 874 H TYR 47 H TYR 47 5.169 -7.763 4.958 875 HA TYR 47 HA TYR 47 4.502 -9.455 2.840 876 HB2 TYR 47 2HB TYR 47 4.400 -6.889 3.028 877 HB3 TYR 47 1HB TYR 47 6.095 -6.913 2.570 878 HD1 TYR 47 1HD TYR 47 2.764 -8.115 1.408 879 HD2 TYR 47 2HD TYR 47 6.658 -6.784 0.328 880 HE1 TYR 47 1HE TYR 47 2.088 -8.076 -0.955 881 HE2 TYR 47 2HE TYR 47 5.995 -6.753 -2.038 882 HH TYR 47 HH TYR 47 2.782 -6.958 -3.052 883 H LEU 48 H LEU 48 7.612 -8.191 3.955 884 HA LEU 48 HA LEU 48 9.213 -9.510 2.032 885 HB2 LEU 48 2HB LEU 48 9.979 -8.653 4.823 886 HB3 LEU 48 1HB LEU 48 11.083 -9.002 3.508 887 HG LEU 48 HG LEU 48 9.134 -6.695 3.624 888 HD11 LEU 48 1HD1 LEU 48 11.162 -5.322 3.742 889 HD12 LEU 48 2HD1 LEU 48 12.139 -6.787 3.836 890 HD13 LEU 48 3HD1 LEU 48 11.005 -6.398 5.130 891 HD21 LEU 48 3HD2 LEU 48 9.425 -7.481 1.339 892 HD22 LEU 48 1HD2 LEU 48 11.179 -7.431 1.529 893 HD23 LEU 48 2HD2 LEU 48 10.242 -5.936 1.570 894 H ASP 49 H ASP 49 8.125 -10.354 5.255 895 HA ASP 49 HA ASP 49 9.801 -12.518 5.766 896 HB2 ASP 49 2HB ASP 49 8.379 -11.328 7.425 897 HB3 ASP 49 1HB ASP 49 6.971 -12.139 6.751 898 H ASN 50 H ASN 50 6.573 -12.471 4.278 899 HA ASN 50 HA ASN 50 6.536 -15.350 4.050 900 HB2 ASN 50 2HB ASN 50 4.628 -13.247 3.006 901 HB3 ASN 50 1HB ASN 50 4.371 -14.984 2.861 902 HD21 ASN 50 1HD2 ASN 50 4.387 -12.258 4.975 903 HD22 ASN 50 2HD2 ASN 50 3.706 -13.046 6.358 904 H HIS 51 H HIS 51 7.849 -12.855 2.197 905 HA HIS 51 HA HIS 51 7.578 -14.353 -0.303 906 HB2 HIS 51 2HB HIS 51 8.628 -11.585 0.280 907 HB3 HIS 51 1HB HIS 51 8.746 -12.343 -1.306 908 HD1 HIS 51 1HD HIS 51 7.230 -9.993 -1.676 909 HD2 HIS 51 2HD HIS 51 5.402 -13.321 0.025 910 HE1 HIS 51 1HE HIS 51 4.756 -9.652 -1.981 911 HE2 HIS 51 2HE HIS 51 3.687 -11.521 -0.681 912 H ASP 52 H ASP 52 10.276 -12.661 1.329 913 HA ASP 52 HA ASP 52 11.851 -15.087 1.041 914 HB2 ASP 52 2HB ASP 52 13.729 -14.040 -0.012 915 HB3 ASP 52 1HB ASP 52 12.311 -13.696 -0.992 916 H LYS 53 H LYS 53 12.816 -15.524 2.855 917 HA LYS 53 HA LYS 53 12.446 -13.717 5.060 918 HB2 LYS 53 2HB LYS 53 13.641 -16.492 4.921 919 HB3 LYS 53 1HB LYS 53 13.302 -15.616 6.409 920 HG2 LYS 53 2HG LYS 53 10.949 -15.655 5.980 921 HG3 LYS 53 1HG LYS 53 11.207 -16.318 4.366 922 HD2 LYS 53 2HD LYS 53 12.046 -17.733 6.888 923 HD3 LYS 53 1HD LYS 53 10.476 -17.972 6.123 924 HE2 LYS 53 2HE LYS 53 13.146 -18.440 4.797 925 HE3 LYS 53 1HE LYS 53 12.125 -19.697 5.492 926 HZ1 LYS 53 3HZ LYS 53 11.766 -19.605 3.144 927 HZ2 LYS 53 1HZ LYS 53 11.454 -17.943 3.193 928 HZ3 LYS 53 2HZ LYS 53 10.369 -19.020 3.912 929 H GLN 54 H GLN 54 14.964 -14.385 2.888 930 HA GLN 54 HA GLN 54 16.757 -12.720 4.426 931 HB2 GLN 54 2HB GLN 54 18.645 -14.329 4.204 932 HB3 GLN 54 1HB GLN 54 17.379 -14.854 5.304 933 HG2 GLN 54 2HG GLN 54 16.495 -16.343 3.599 934 HG3 GLN 54 1HG GLN 54 17.731 -15.796 2.467 935 HE21 GLN 54 1HE2 GLN 54 19.781 -15.643 4.541 936 HE22 GLN 54 2HE2 GLN 54 20.239 -17.276 4.876 937 H LYS 55 H LYS 55 18.074 -11.526 3.225 938 HA LYS 55 HA LYS 55 18.100 -12.022 0.323 939 HB2 LYS 55 2HB LYS 55 18.244 -9.456 1.907 940 HB3 LYS 55 1HB LYS 55 18.703 -9.537 0.210 941 HG2 LYS 55 2HG LYS 55 16.487 -10.190 -0.419 942 HG3 LYS 55 1HG LYS 55 16.004 -10.342 1.269 943 HD2 LYS 55 2HD LYS 55 16.213 -7.972 1.600 944 HD3 LYS 55 1HD LYS 55 16.904 -7.767 -0.011 945 HE2 LYS 55 2HE LYS 55 14.495 -7.141 0.147 946 HE3 LYS 55 1HE LYS 55 14.845 -8.383 -1.054 947 HZ1 LYS 55 3HZ LYS 55 14.083 -10.068 0.508 948 HZ2 LYS 55 1HZ LYS 55 12.871 -8.922 0.226 949 HZ3 LYS 55 2HZ LYS 55 13.751 -8.880 1.670 950 H LYS 56 H LYS 56 19.883 -13.144 -0.057 951 HA LYS 56 HA LYS 56 22.058 -13.731 -0.244 952 HB2 LYS 56 2HB LYS 56 22.463 -10.815 0.423 953 HB3 LYS 56 1HB LYS 56 23.781 -11.899 -0.001 954 HG2 LYS 56 2HG LYS 56 22.758 -12.303 -2.179 955 HG3 LYS 56 1HG LYS 56 21.423 -11.231 -1.753 956 HD2 LYS 56 2HD LYS 56 23.111 -10.123 -3.164 957 HD3 LYS 56 1HD LYS 56 22.940 -9.351 -1.587 958 HE2 LYS 56 2HE LYS 56 25.287 -9.542 -2.222 959 HE3 LYS 56 1HE LYS 56 24.935 -10.515 -0.795 960 HZ1 LYS 56 3HZ LYS 56 26.359 -11.626 -2.472 961 HZ2 LYS 56 1HZ LYS 56 25.049 -11.614 -3.552 962 HZ3 LYS 56 2HZ LYS 56 24.945 -12.488 -2.103 Start of MODEL 8 1 H1 GLY 2 1HT GLY 2 -21.610 17.993 -4.261 2 H2 GLY 2 2HT GLY 2 -21.054 19.253 -5.248 3 H3 GLY 2 3HT GLY 2 -19.964 18.391 -4.279 4 HA2 GLY 2 1HA GLY 2 -21.475 17.335 -6.602 5 HA3 GLY 2 2HA GLY 2 -19.749 17.664 -6.546 6 H ARG 3 H ARG 3 -21.402 15.158 -6.955 7 HA ARG 3 HA ARG 3 -19.891 13.522 -5.046 8 HB2 ARG 3 2HB ARG 3 -22.152 13.681 -4.141 9 HB3 ARG 3 1HB ARG 3 -22.828 13.176 -5.683 10 HG2 ARG 3 2HG ARG 3 -21.997 10.982 -5.445 11 HG3 ARG 3 1HG ARG 3 -20.951 11.447 -4.101 12 HD2 ARG 3 2HD ARG 3 -23.014 10.194 -3.434 13 HD3 ARG 3 1HD ARG 3 -22.819 11.762 -2.652 14 HE ARG 3 HE ARG 3 -24.373 12.230 -4.874 15 HH11 ARG 3 1HH1 ARG 3 -24.650 10.087 -2.108 16 HH12 ARG 3 2HH1 ARG 3 -26.374 10.272 -1.977 17 HH21 ARG 3 1HH2 ARG 3 -26.628 12.493 -4.703 18 HH22 ARG 3 2HH2 ARG 3 -27.497 11.659 -3.446 19 HA PRO 4 HA PRO 4 -18.889 11.785 -9.092 20 HB2 PRO 4 2HB PRO 4 -16.973 10.256 -7.451 21 HB3 PRO 4 1HB PRO 4 -16.672 11.304 -8.840 22 HG2 PRO 4 2HG PRO 4 -15.993 12.045 -6.355 23 HG3 PRO 4 1HG PRO 4 -16.589 13.221 -7.543 24 HD2 PRO 4 2HD PRO 4 -18.038 11.918 -5.266 25 HD3 PRO 4 1HD PRO 4 -18.099 13.605 -5.822 26 H TYR 5 H TYR 5 -19.161 9.940 -6.078 27 HA TYR 5 HA TYR 5 -20.860 7.994 -7.407 28 HB2 TYR 5 2HB TYR 5 -18.277 7.236 -6.025 29 HB3 TYR 5 1HB TYR 5 -19.571 6.089 -6.352 30 HD1 TYR 5 1HD TYR 5 -20.260 5.735 -8.779 31 HD2 TYR 5 2HD TYR 5 -16.665 7.718 -7.662 32 HE1 TYR 5 1HE TYR 5 -19.350 5.335 -11.022 33 HE2 TYR 5 2HE TYR 5 -15.743 7.319 -9.907 34 HH TYR 5 HH TYR 5 -17.681 6.257 -12.512 35 H LYS 6 H LYS 6 -19.063 8.028 -4.345 36 HA LYS 6 HA LYS 6 -21.556 8.560 -2.910 37 HB2 LYS 6 2HB LYS 6 -21.057 6.775 -1.293 38 HB3 LYS 6 1HB LYS 6 -21.335 6.139 -2.906 39 HG2 LYS 6 2HG LYS 6 -18.978 5.814 -3.240 40 HG3 LYS 6 1HG LYS 6 -18.619 6.591 -1.693 41 HD2 LYS 6 2HD LYS 6 -19.883 4.817 -0.538 42 HD3 LYS 6 1HD LYS 6 -20.178 4.036 -2.092 43 HE2 LYS 6 2HE LYS 6 -17.755 3.758 -2.393 44 HE3 LYS 6 1HE LYS 6 -17.486 4.508 -0.818 45 HZ1 LYS 6 3HZ LYS 6 -18.881 1.944 -1.363 46 HZ2 LYS 6 1HZ LYS 6 -18.856 2.700 0.157 47 HZ3 LYS 6 2HZ LYS 6 -17.413 2.157 -0.546 48 H LEU 7 H LEU 7 -19.020 9.897 -3.630 49 HA LEU 7 HA LEU 7 -17.664 11.491 -2.777 50 HB2 LEU 7 2HB LEU 7 -19.538 12.036 -1.259 51 HB3 LEU 7 1HB LEU 7 -18.941 10.850 -0.116 52 HG LEU 7 HG LEU 7 -16.837 12.194 0.084 53 HD11 LEU 7 1HD1 LEU 7 -16.957 13.364 -2.048 54 HD12 LEU 7 2HD1 LEU 7 -16.862 14.504 -0.706 55 HD13 LEU 7 3HD1 LEU 7 -18.406 14.215 -1.510 56 HD21 LEU 7 3HD2 LEU 7 -19.402 13.626 0.759 57 HD22 LEU 7 1HD2 LEU 7 -17.828 13.914 1.501 58 HD23 LEU 7 2HD2 LEU 7 -18.639 12.364 1.724 59 H LEU 8 H LEU 8 -15.576 11.402 -2.374 60 HA LEU 8 HA LEU 8 -13.538 10.763 -1.645 61 HB2 LEU 8 2HB LEU 8 -15.058 9.350 0.548 62 HB3 LEU 8 1HB LEU 8 -13.332 9.661 0.539 63 HG LEU 8 HG LEU 8 -15.493 11.773 0.607 64 HD11 LEU 8 1HD1 LEU 8 -13.602 10.796 2.742 65 HD12 LEU 8 2HD1 LEU 8 -15.348 10.548 2.697 66 HD13 LEU 8 3HD1 LEU 8 -14.694 12.174 2.889 67 HD21 LEU 8 3HD2 LEU 8 -13.500 12.533 -0.575 68 HD22 LEU 8 1HD2 LEU 8 -12.490 12.019 0.775 69 HD23 LEU 8 2HD2 LEU 8 -13.647 13.334 0.990 70 H ASN 9 H ASN 9 -13.354 9.514 -3.598 71 HA ASN 9 HA ASN 9 -13.715 6.655 -3.442 72 HB2 ASN 9 2HB ASN 9 -12.895 6.560 -5.676 73 HB3 ASN 9 1HB ASN 9 -13.877 8.017 -5.588 74 HD21 ASN 9 1HD2 ASN 9 -12.887 10.026 -5.694 75 HD22 ASN 9 2HD2 ASN 9 -11.241 10.226 -6.211 76 H GLY 10 H GLY 10 -11.359 8.891 -2.504 77 HA2 GLY 10 2HA GLY 10 -9.562 6.817 -1.648 78 HA3 GLY 10 1HA GLY 10 -8.919 7.809 -2.950 79 H ILE 11 H ILE 11 -8.233 7.468 -0.037 80 HA ILE 11 HA ILE 11 -8.452 10.301 0.773 81 HB ILE 11 HB ILE 11 -8.275 7.963 2.684 82 HG12 ILE 11 2HG1 ILE 11 -10.384 7.835 1.412 83 HG13 ILE 11 1HG1 ILE 11 -10.660 8.218 3.110 84 HG21 ILE 11 1HG2 ILE 11 -7.506 10.011 3.667 85 HG22 ILE 11 2HG2 ILE 11 -9.097 9.639 4.329 86 HG23 ILE 11 3HG2 ILE 11 -8.928 10.876 3.084 87 HD11 ILE 11 3HD1 ILE 11 -12.095 9.543 1.675 88 HD12 ILE 11 1HD1 ILE 11 -10.684 10.188 0.833 89 HD13 ILE 11 2HD1 ILE 11 -10.947 10.570 2.534 90 H LYS 12 H LYS 12 -6.634 11.010 2.197 91 HA LYS 12 HA LYS 12 -4.140 9.957 1.080 92 HB2 LYS 12 2HB LYS 12 -4.609 12.344 0.727 93 HB3 LYS 12 1HB LYS 12 -4.756 12.582 2.462 94 HG2 LYS 12 2HG LYS 12 -2.625 13.382 1.837 95 HG3 LYS 12 1HG LYS 12 -2.362 11.843 2.659 96 HD2 LYS 12 2HD LYS 12 -2.147 10.723 0.503 97 HD3 LYS 12 1HD LYS 12 -2.439 12.253 -0.328 98 HE2 LYS 12 2HE LYS 12 -0.426 13.135 0.973 99 HE3 LYS 12 1HE LYS 12 -0.076 11.447 1.340 100 HZ1 LYS 12 3HZ LYS 12 -0.237 12.684 -1.354 101 HZ2 LYS 12 1HZ LYS 12 -0.038 11.022 -1.078 102 HZ3 LYS 12 2HZ LYS 12 1.160 12.115 -0.580 103 H LEU 13 H LEU 13 -2.688 8.979 2.300 104 HA LEU 13 HA LEU 13 -2.879 9.211 5.214 105 HB2 LEU 13 2HB LEU 13 -2.327 6.773 5.350 106 HB3 LEU 13 1HB LEU 13 -3.929 7.139 4.749 107 HG LEU 13 HG LEU 13 -1.703 6.595 2.815 108 HD11 LEU 13 1HD1 LEU 13 -3.395 4.533 4.221 109 HD12 LEU 13 2HD1 LEU 13 -1.652 4.742 4.390 110 HD13 LEU 13 3HD1 LEU 13 -2.334 4.225 2.847 111 HD21 LEU 13 3HD2 LEU 13 -3.571 5.793 1.435 112 HD22 LEU 13 1HD2 LEU 13 -3.818 7.467 1.944 113 HD23 LEU 13 2HD2 LEU 13 -4.692 6.159 2.744 114 H GLY 14 H GLY 14 -1.020 9.653 6.161 115 HA2 GLY 14 2HA GLY 14 1.425 9.438 4.535 116 HA3 GLY 14 1HA GLY 14 1.194 10.536 5.889 117 H VAL 15 H VAL 15 2.822 7.893 4.987 118 HA VAL 15 HA VAL 15 2.716 6.653 7.657 119 HB VAL 15 HB VAL 15 3.769 5.451 5.076 120 HG11 VAL 15 1HG1 VAL 15 3.856 3.355 6.325 121 HG12 VAL 15 2HG1 VAL 15 3.374 4.210 7.790 122 HG13 VAL 15 3HG1 VAL 15 4.920 4.575 7.025 123 HG21 VAL 15 3HG2 VAL 15 1.228 4.840 6.574 124 HG22 VAL 15 1HG2 VAL 15 1.802 4.037 5.112 125 HG23 VAL 15 2HG2 VAL 15 1.335 5.737 5.058 126 H TYR 16 H TYR 16 4.643 6.345 8.813 127 HA TYR 16 HA TYR 16 7.000 7.721 7.716 128 HB2 TYR 16 2HB TYR 16 5.667 7.971 10.282 129 HB3 TYR 16 1HB TYR 16 7.366 7.549 10.475 130 HD1 TYR 16 1HD TYR 16 8.911 8.912 8.718 131 HD2 TYR 16 2HD TYR 16 5.212 10.236 10.338 132 HE1 TYR 16 1HE TYR 16 9.560 11.228 8.269 133 HE2 TYR 16 2HE TYR 16 5.852 12.572 9.902 134 HH TYR 16 HH TYR 16 7.754 13.932 9.485 135 H ILE 17 H ILE 17 8.628 6.417 7.220 136 HA ILE 17 HA ILE 17 9.144 4.072 8.897 137 HB ILE 17 HB ILE 17 9.354 2.540 7.091 138 HG12 ILE 17 2HG1 ILE 17 8.698 4.820 5.213 139 HG13 ILE 17 1HG1 ILE 17 10.274 4.055 5.389 140 HG21 ILE 17 1HG2 ILE 17 6.802 4.104 6.775 141 HG22 ILE 17 2HG2 ILE 17 7.105 2.800 7.923 142 HG23 ILE 17 3HG2 ILE 17 7.072 2.461 6.193 143 HD11 ILE 17 3HD1 ILE 17 7.756 2.786 4.347 144 HD12 ILE 17 1HD1 ILE 17 9.262 1.917 4.648 145 HD13 ILE 17 2HD1 ILE 17 9.207 3.196 3.429 146 HA PRO 18 HA PRO 18 13.356 5.134 8.636 147 HB2 PRO 18 2HB PRO 18 14.654 2.777 8.193 148 HB3 PRO 18 1HB PRO 18 13.918 3.207 9.741 149 HG2 PRO 18 2HG PRO 18 12.842 1.479 7.548 150 HG3 PRO 18 1HG PRO 18 12.814 1.210 9.302 151 HD2 PRO 18 2HD PRO 18 10.661 2.120 7.968 152 HD3 PRO 18 1HD PRO 18 11.035 2.648 9.619 153 H GLN 19 H GLN 19 15.109 5.604 7.309 154 HA GLN 19 HA GLN 19 14.586 5.799 4.537 155 HB2 GLN 19 2HB GLN 19 16.643 6.913 4.361 156 HB3 GLN 19 1HB GLN 19 16.110 7.275 5.996 157 HG2 GLN 19 2HG GLN 19 18.117 6.609 6.669 158 HG3 GLN 19 1HG GLN 19 17.598 4.965 6.285 159 HE21 GLN 19 1HE2 GLN 19 18.287 4.020 4.339 160 HE22 GLN 19 2HE2 GLN 19 19.603 4.666 3.418 161 H GLU 20 H GLU 20 16.257 3.472 6.508 162 HA GLU 20 HA GLU 20 17.665 1.998 4.647 163 HB2 GLU 20 2HB GLU 20 16.106 1.075 7.061 164 HB3 GLU 20 1HB GLU 20 17.169 0.023 6.136 165 HG2 GLU 20 2HG GLU 20 17.993 2.540 7.567 166 HG3 GLU 20 1HG GLU 20 18.264 0.890 8.131 167 H TRP 21 H TRP 21 14.219 1.923 5.396 168 HA TRP 21 HA TRP 21 13.647 -0.231 3.610 169 HB2 TRP 21 2HB TRP 21 12.060 1.750 5.174 170 HB3 TRP 21 1HB TRP 21 11.268 0.931 3.835 171 HD1 TRP 21 HD TRP 21 13.612 -1.471 5.393 172 HE1 TRP 21 1HE TRP 21 12.327 -3.055 6.976 173 HE3 TRP 21 3HE TRP 21 9.237 1.094 5.676 174 HZ2 TRP 21 2HZ TRP 21 9.751 -3.170 8.192 175 HZ3 TRP 21 3HZ TRP 21 7.417 0.212 7.053 176 HH2 TRP 21 HH TRP 21 7.654 -1.864 8.273 177 H HIS 22 H HIS 22 13.514 3.296 3.451 178 HA HIS 22 HA HIS 22 12.294 3.562 0.960 179 HB2 HIS 22 2HB HIS 22 14.208 5.275 2.496 180 HB3 HIS 22 1HB HIS 22 13.789 5.710 0.840 181 HD1 HIS 22 1HD HIS 22 11.753 7.082 0.565 182 HD2 HIS 22 2HD HIS 22 11.792 5.064 4.208 183 HE1 HIS 22 1HE HIS 22 9.728 7.903 1.826 184 HE2 HIS 22 2HE HIS 22 9.810 6.718 4.048 185 H ASP 23 H ASP 23 15.730 3.154 1.748 186 HA ASP 23 HA ASP 23 16.734 3.452 -0.851 187 HB2 ASP 23 2HB ASP 23 18.065 3.398 1.296 188 HB3 ASP 23 1HB ASP 23 17.895 1.646 1.275 189 H ARG 24 H ARG 24 15.865 0.460 0.909 190 HA ARG 24 HA ARG 24 16.595 -1.184 -1.334 191 HB2 ARG 24 2HB ARG 24 15.262 -1.766 1.302 192 HB3 ARG 24 1HB ARG 24 15.430 -3.001 0.069 193 HG2 ARG 24 2HG ARG 24 17.194 -3.256 1.661 194 HG3 ARG 24 1HG ARG 24 17.890 -2.677 0.147 195 HD2 ARG 24 2HD ARG 24 18.239 -0.528 0.998 196 HD3 ARG 24 1HD ARG 24 17.118 -0.778 2.334 197 HE ARG 24 HE ARG 24 19.318 -2.570 2.507 198 HH11 ARG 24 1HH1 ARG 24 18.469 0.784 2.963 199 HH12 ARG 24 2HH1 ARG 24 19.599 1.049 4.255 200 HH21 ARG 24 1HH2 ARG 24 20.824 -2.241 4.229 201 HH22 ARG 24 2HH2 ARG 24 20.922 -0.683 4.989 202 H LEU 25 H LEU 25 13.548 0.003 0.013 203 HA LEU 25 HA LEU 25 11.864 -1.573 -1.610 204 HB2 LEU 25 2HB LEU 25 11.371 1.103 -0.310 205 HB3 LEU 25 1HB LEU 25 10.134 0.174 -1.134 206 HG LEU 25 HG LEU 25 11.635 -0.709 1.333 207 HD11 LEU 25 1HD1 LEU 25 9.484 -0.435 2.455 208 HD12 LEU 25 2HD1 LEU 25 8.779 0.180 0.960 209 HD13 LEU 25 3HD1 LEU 25 10.050 1.091 1.775 210 HD21 LEU 25 3HD2 LEU 25 10.028 -2.566 1.366 211 HD22 LEU 25 1HD2 LEU 25 11.046 -2.604 -0.073 212 HD23 LEU 25 2HD2 LEU 25 9.384 -2.026 -0.183 213 H MET 26 H MET 26 13.195 1.699 -2.051 214 HA MET 26 HA MET 26 11.783 2.159 -4.464 215 HB2 MET 26 2HB MET 26 14.215 3.497 -3.296 216 HB3 MET 26 1HB MET 26 13.449 4.027 -4.790 217 HG2 MET 26 2HG MET 26 12.130 3.884 -2.085 218 HG3 MET 26 1HG MET 26 12.720 5.350 -2.870 219 HE1 MET 26 3HE MET 26 11.874 4.752 -5.922 220 HE2 MET 26 1HE MET 26 11.670 6.321 -5.143 221 HE3 MET 26 2HE MET 26 10.313 5.571 -5.986 222 H GLU 27 H GLU 27 14.808 0.563 -3.772 223 HA GLU 27 HA GLU 27 15.747 0.439 -6.440 224 HB2 GLU 27 2HB GLU 27 17.073 -0.223 -4.411 225 HB3 GLU 27 1HB GLU 27 16.079 -1.667 -4.292 226 HG2 GLU 27 2HG GLU 27 18.044 -2.351 -5.357 227 HG3 GLU 27 1HG GLU 27 16.841 -2.224 -6.638 228 H ILE 28 H ILE 28 13.726 -1.735 -4.515 229 HA ILE 28 HA ILE 28 13.117 -3.554 -6.609 230 HB ILE 28 HB ILE 28 11.527 -2.914 -4.113 231 HG12 ILE 28 2HG1 ILE 28 13.564 -5.093 -4.634 232 HG13 ILE 28 1HG1 ILE 28 13.865 -3.641 -3.686 233 HG21 ILE 28 1HG2 ILE 28 11.413 -5.310 -5.943 234 HG22 ILE 28 2HG2 ILE 28 10.167 -4.075 -5.757 235 HG23 ILE 28 3HG2 ILE 28 10.551 -5.148 -4.412 236 HD11 ILE 28 3HD1 ILE 28 11.902 -5.827 -3.025 237 HD12 ILE 28 1HD1 ILE 28 12.153 -4.359 -2.081 238 HD13 ILE 28 2HD1 ILE 28 13.457 -5.535 -2.244 239 H ALA 29 H ALA 29 11.835 -0.506 -5.605 240 HA ALA 29 HA ALA 29 9.368 -0.523 -6.949 241 HB1 ALA 29 1HB ALA 29 9.415 1.898 -6.666 242 HB2 ALA 29 2HB ALA 29 11.129 1.826 -6.255 243 HB3 ALA 29 3HB ALA 29 9.934 1.081 -5.193 244 H LYS 30 H LYS 30 12.633 0.138 -8.020 245 HA LYS 30 HA LYS 30 11.830 1.165 -10.574 246 HB2 LYS 30 2HB LYS 30 14.443 0.152 -9.482 247 HB3 LYS 30 1HB LYS 30 14.260 0.579 -11.178 248 HG2 LYS 30 2HG LYS 30 13.558 2.858 -10.450 249 HG3 LYS 30 1HG LYS 30 13.954 2.390 -8.793 250 HD2 LYS 30 2HD LYS 30 16.254 1.936 -9.460 251 HD3 LYS 30 1HD LYS 30 15.866 2.364 -11.126 252 HE2 LYS 30 2HE LYS 30 15.327 4.643 -10.397 253 HE3 LYS 30 1HE LYS 30 15.736 4.205 -8.738 254 HZ1 LYS 30 3HZ LYS 30 17.998 3.640 -9.574 255 HZ2 LYS 30 1HZ LYS 30 17.610 5.289 -9.690 256 HZ3 LYS 30 2HZ LYS 30 17.569 4.311 -11.071 257 H GLU 31 H GLU 31 12.783 -1.947 -9.273 258 HA GLU 31 HA GLU 31 12.918 -3.374 -11.679 259 HB2 GLU 31 2HB GLU 31 11.960 -4.498 -9.047 260 HB3 GLU 31 1HB GLU 31 12.732 -5.369 -10.363 261 HG2 GLU 31 2HG GLU 31 14.811 -4.189 -9.947 262 HG3 GLU 31 1HG GLU 31 14.043 -3.271 -8.650 263 H LYS 32 H LYS 32 10.198 -2.733 -9.506 264 HA LYS 32 HA LYS 32 8.419 -4.299 -11.219 265 HB2 LYS 32 2HB LYS 32 8.180 -3.227 -8.423 266 HB3 LYS 32 1HB LYS 32 6.758 -3.765 -9.305 267 HG2 LYS 32 2HG LYS 32 7.604 -5.519 -7.844 268 HG3 LYS 32 1HG LYS 32 7.729 -5.992 -9.537 269 HD2 LYS 32 2HD LYS 32 10.099 -5.460 -9.538 270 HD3 LYS 32 1HD LYS 32 9.991 -4.886 -7.874 271 HE2 LYS 32 2HE LYS 32 9.470 -7.092 -7.088 272 HE3 LYS 32 1HE LYS 32 9.351 -7.697 -8.741 273 HZ1 LYS 32 3HZ LYS 32 11.477 -8.205 -7.546 274 HZ2 LYS 32 1HZ LYS 32 11.858 -6.553 -7.627 275 HZ3 LYS 32 2HZ LYS 32 11.664 -7.452 -9.054 276 H ASN 33 H ASN 33 9.404 -1.167 -11.002 277 HA ASN 33 HA ASN 33 8.684 0.816 -11.809 278 HB2 ASN 33 2HB ASN 33 6.869 -1.004 -13.394 279 HB3 ASN 33 1HB ASN 33 6.930 0.740 -13.639 280 HD21 ASN 33 1HD2 ASN 33 8.602 -2.270 -14.016 281 HD22 ASN 33 2HD2 ASN 33 9.875 -1.678 -15.034 282 H LEU 34 H LEU 34 7.811 0.291 -9.374 283 HA LEU 34 HA LEU 34 5.139 1.515 -9.267 284 HB2 LEU 34 2HB LEU 34 6.142 -0.775 -7.559 285 HB3 LEU 34 1HB LEU 34 4.673 0.128 -7.239 286 HG LEU 34 HG LEU 34 5.171 -1.531 -9.712 287 HD11 LEU 34 1HD1 LEU 34 3.568 -3.093 -8.746 288 HD12 LEU 34 2HD1 LEU 34 3.479 -2.109 -7.285 289 HD13 LEU 34 3HD1 LEU 34 4.986 -2.918 -7.711 290 HD21 LEU 34 3HD2 LEU 34 2.701 -0.130 -8.703 291 HD22 LEU 34 1HD2 LEU 34 2.764 -1.215 -10.092 292 HD23 LEU 34 2HD2 LEU 34 3.649 0.312 -10.123 293 H THR 35 H THR 35 4.799 2.511 -7.002 294 HA THR 35 HA THR 35 7.389 3.530 -6.036 295 HB THR 35 HB THR 35 6.212 5.365 -5.007 296 HG1 THR 35 1HG THR 35 3.783 4.182 -5.961 297 HG21 THR 35 3HG2 THR 35 5.155 4.894 -7.796 298 HG22 THR 35 1HG2 THR 35 6.709 5.618 -7.384 299 HG23 THR 35 2HG2 THR 35 5.211 6.450 -6.966 300 H LEU 36 H LEU 36 7.639 3.761 -3.675 301 HA LEU 36 HA LEU 36 7.178 1.335 -2.372 302 HB2 LEU 36 2HB LEU 36 8.143 2.289 -0.444 303 HB3 LEU 36 1HB LEU 36 8.958 3.007 -1.817 304 HG LEU 36 HG LEU 36 6.751 4.388 -0.291 305 HD11 LEU 36 1HD1 LEU 36 9.736 4.622 0.031 306 HD12 LEU 36 2HD1 LEU 36 8.605 3.955 1.208 307 HD13 LEU 36 3HD1 LEU 36 8.539 5.669 0.791 308 HD21 LEU 36 3HD2 LEU 36 7.076 5.264 -2.529 309 HD22 LEU 36 1HD2 LEU 36 8.814 5.394 -2.252 310 HD23 LEU 36 2HD2 LEU 36 7.696 6.410 -1.340 311 H SER 37 H SER 37 5.382 4.348 -2.318 312 HA SER 37 HA SER 37 3.535 3.831 -0.312 313 HB2 SER 37 2HB SER 37 2.967 5.216 -2.944 314 HB3 SER 37 1HB SER 37 2.149 5.480 -1.404 315 HG SER 37 HG SER 37 3.597 7.086 -1.491 316 H ASP 38 H ASP 38 3.487 2.918 -3.736 317 HA ASP 38 HA ASP 38 0.960 1.659 -3.726 318 HB2 ASP 38 2HB ASP 38 3.376 1.216 -5.493 319 HB3 ASP 38 1HB ASP 38 1.815 0.453 -5.767 320 H VAL 39 H VAL 39 4.224 0.514 -3.100 321 HA VAL 39 HA VAL 39 3.644 -2.231 -2.977 322 HB VAL 39 HB VAL 39 5.819 -0.720 -1.515 323 HG11 VAL 39 1HG1 VAL 39 5.515 -2.933 -0.578 324 HG12 VAL 39 2HG1 VAL 39 7.007 -2.879 -1.517 325 HG13 VAL 39 3HG1 VAL 39 5.569 -3.650 -2.188 326 HG21 VAL 39 3HG2 VAL 39 7.245 -1.366 -3.408 327 HG22 VAL 39 1HG2 VAL 39 5.911 -0.328 -3.913 328 HG23 VAL 39 2HG2 VAL 39 5.842 -2.064 -4.216 329 H CYS 40 H CYS 40 3.478 0.303 -0.502 330 HA CYS 40 HA CYS 40 3.203 -1.532 1.651 331 HB2 CYS 40 2HB CYS 40 2.410 1.386 1.667 332 HB3 CYS 40 1HB CYS 40 2.789 0.378 3.055 333 HG CYS 40 HG CYS 40 5.086 1.175 0.647 334 H ARG 41 H ARG 41 0.733 0.649 0.208 335 HA ARG 41 HA ARG 41 -1.435 -0.534 1.425 336 HB2 ARG 41 2HB ARG 41 -2.767 0.307 -0.531 337 HB3 ARG 41 1HB ARG 41 -1.776 1.504 0.280 338 HG2 ARG 41 2HG ARG 41 -1.294 2.058 -1.846 339 HG3 ARG 41 1HG ARG 41 -0.069 0.810 -1.628 340 HD2 ARG 41 2HD ARG 41 -1.452 -0.817 -2.736 341 HD3 ARG 41 1HD ARG 41 -2.798 0.328 -2.817 342 HE ARG 41 HE ARG 41 -0.552 1.448 -4.085 343 HH11 ARG 41 1HH1 ARG 41 -2.977 -1.026 -4.593 344 HH12 ARG 41 2HH1 ARG 41 -2.811 -1.002 -6.321 345 HH21 ARG 41 1HH2 ARG 41 -0.363 1.514 -6.343 346 HH22 ARG 41 2HH2 ARG 41 -1.334 0.439 -7.316 347 H LEU 42 H LEU 42 0.274 -1.627 -1.503 348 HA LEU 42 HA LEU 42 -1.537 -3.746 -2.071 349 HB2 LEU 42 2HB LEU 42 1.369 -3.328 -2.732 350 HB3 LEU 42 1HB LEU 42 0.503 -4.772 -3.218 351 HG LEU 42 HG LEU 42 -0.247 -1.961 -4.016 352 HD11 LEU 42 1HD1 LEU 42 0.596 -2.557 -6.216 353 HD12 LEU 42 2HD1 LEU 42 1.079 -4.144 -5.621 354 HD13 LEU 42 3HD1 LEU 42 1.876 -2.695 -5.010 355 HD21 LEU 42 3HD2 LEU 42 -2.157 -3.479 -3.915 356 HD22 LEU 42 1HD2 LEU 42 -1.295 -4.643 -4.923 357 HD23 LEU 42 2HD2 LEU 42 -1.759 -3.077 -5.586 358 H ALA 43 H ALA 43 1.135 -3.352 0.098 359 HA ALA 43 HA ALA 43 1.422 -6.081 0.777 360 HB1 ALA 43 1HB ALA 43 2.248 -3.660 2.351 361 HB2 ALA 43 2HB ALA 43 3.203 -4.431 1.085 362 HB3 ALA 43 3HB ALA 43 2.837 -5.310 2.567 363 H ILE 44 H ILE 44 -0.633 -3.494 1.862 364 HA ILE 44 HA ILE 44 -1.499 -4.650 4.296 365 HB ILE 44 HB ILE 44 -2.969 -2.755 2.446 366 HG12 ILE 44 2HG1 ILE 44 -1.356 -2.208 4.948 367 HG13 ILE 44 1HG1 ILE 44 -0.837 -1.856 3.302 368 HG21 ILE 44 1HG2 ILE 44 -3.523 -3.461 5.325 369 HG22 ILE 44 2HG2 ILE 44 -4.504 -3.919 3.934 370 HG23 ILE 44 3HG2 ILE 44 -4.361 -2.222 4.389 371 HD11 ILE 44 3HD1 ILE 44 -2.691 -0.275 3.062 372 HD12 ILE 44 1HD1 ILE 44 -1.628 0.151 4.404 373 HD13 ILE 44 2HD1 ILE 44 -3.187 -0.612 4.721 374 H LYS 45 H LYS 45 -2.674 -4.729 0.983 375 HA LYS 45 HA LYS 45 -4.909 -6.344 1.363 376 HB2 LYS 45 2HB LYS 45 -4.316 -5.082 -0.720 377 HB3 LYS 45 1HB LYS 45 -3.096 -6.301 -1.057 378 HG2 LYS 45 2HG LYS 45 -4.859 -8.009 -1.161 379 HG3 LYS 45 1HG LYS 45 -6.066 -6.749 -0.888 380 HD2 LYS 45 2HD LYS 45 -5.215 -5.597 -2.933 381 HD3 LYS 45 1HD LYS 45 -4.187 -7.000 -3.234 382 HE2 LYS 45 2HE LYS 45 -6.191 -7.188 -4.552 383 HE3 LYS 45 1HE LYS 45 -6.211 -8.419 -3.288 384 HZ1 LYS 45 3HZ LYS 45 -7.621 -5.808 -3.105 385 HZ2 LYS 45 1HZ LYS 45 -7.737 -7.107 -2.017 386 HZ3 LYS 45 2HZ LYS 45 -8.355 -7.260 -3.589 387 H GLU 46 H GLU 46 -1.517 -7.119 0.930 388 HA GLU 46 HA GLU 46 -1.791 -9.943 0.738 389 HB2 GLU 46 2HB GLU 46 0.228 -8.878 -0.048 390 HB3 GLU 46 1HB GLU 46 0.512 -8.138 1.519 391 HG2 GLU 46 2HG GLU 46 2.048 -9.909 1.321 392 HG3 GLU 46 1HG GLU 46 0.802 -10.458 2.440 393 H TYR 47 H TYR 47 -1.231 -7.662 3.349 394 HA TYR 47 HA TYR 47 -0.716 -9.505 5.385 395 HB2 TYR 47 2HB TYR 47 -0.255 -7.046 5.465 396 HB3 TYR 47 1HB TYR 47 -1.980 -6.770 5.659 397 HD1 TYR 47 2HD TYR 47 1.073 -7.980 7.266 398 HD2 TYR 47 1HD TYR 47 -3.086 -7.241 7.782 399 HE1 TYR 47 2HE TYR 47 1.346 -8.201 9.694 400 HE2 TYR 47 1HE TYR 47 -2.823 -7.458 10.220 401 HH TYR 47 HH TYR 47 0.239 -7.512 11.746 402 H LEU 48 H LEU 48 -3.715 -7.903 4.399 403 HA LEU 48 HA LEU 48 -5.324 -9.008 6.447 404 HB2 LEU 48 2HB LEU 48 -6.236 -7.997 3.756 405 HB3 LEU 48 1HB LEU 48 -7.212 -8.154 5.201 406 HG LEU 48 HG LEU 48 -4.966 -6.194 4.746 407 HD11 LEU 48 1HD1 LEU 48 -7.041 -5.629 3.609 408 HD12 LEU 48 2HD1 LEU 48 -6.727 -4.519 4.944 409 HD13 LEU 48 3HD1 LEU 48 -7.928 -5.798 5.125 410 HD21 LEU 48 3HD2 LEU 48 -6.641 -6.678 7.206 411 HD22 LEU 48 1HD2 LEU 48 -5.571 -5.295 6.964 412 HD23 LEU 48 2HD2 LEU 48 -4.903 -6.924 7.046 413 H ASP 49 H ASP 49 -5.114 -9.794 2.982 414 HA ASP 49 HA ASP 49 -7.088 -11.810 3.102 415 HB2 ASP 49 2HB ASP 49 -6.433 -10.550 1.054 416 HB3 ASP 49 1HB ASP 49 -4.938 -11.480 1.008 417 H ASN 50 H ASN 50 -3.632 -11.911 3.562 418 HA ASN 50 HA ASN 50 -3.382 -14.735 3.093 419 HB2 ASN 50 2HB ASN 50 -1.572 -12.996 2.755 420 HB3 ASN 50 1HB ASN 50 -1.426 -12.915 4.503 421 HD21 ASN 50 1HD2 ASN 50 0.486 -13.666 2.442 422 HD22 ASN 50 2HD2 ASN 50 1.058 -15.243 2.896 423 H HIS 51 H HIS 51 -3.477 -12.663 5.986 424 HA HIS 51 HA HIS 51 -3.283 -15.042 7.666 425 HB2 HIS 51 2HB HIS 51 -3.113 -12.102 8.289 426 HB3 HIS 51 1HB HIS 51 -3.244 -13.319 9.557 427 HD1 HIS 51 1HD HIS 51 -1.123 -14.415 10.290 428 HD2 HIS 51 2HD HIS 51 -0.696 -12.412 6.666 429 HE1 HIS 51 1HE HIS 51 1.327 -14.525 9.731 430 HE2 HIS 51 2HE HIS 51 1.590 -13.126 7.653 431 H ASP 52 H ASP 52 -5.654 -13.306 6.213 432 HA ASP 52 HA ASP 52 -7.898 -13.392 6.259 433 HB2 ASP 52 2HB ASP 52 -7.557 -15.775 6.590 434 HB3 ASP 52 1HB ASP 52 -7.456 -15.542 8.329 435 H LYS 53 H LYS 53 -9.719 -12.642 7.331 436 HA LYS 53 HA LYS 53 -9.722 -11.888 10.092 437 HB2 LYS 53 2HB LYS 53 -8.749 -9.987 8.142 438 HB3 LYS 53 1HB LYS 53 -10.251 -9.407 8.844 439 HG2 LYS 53 2HG LYS 53 -8.021 -10.381 10.587 440 HG3 LYS 53 1HG LYS 53 -8.020 -8.742 9.938 441 HD2 LYS 53 2HD LYS 53 -10.305 -9.909 11.525 442 HD3 LYS 53 1HD LYS 53 -8.990 -8.978 12.245 443 HE2 LYS 53 2HE LYS 53 -9.584 -7.129 10.626 444 HE3 LYS 53 1HE LYS 53 -11.033 -8.051 10.237 445 HZ1 LYS 53 3HZ LYS 53 -10.304 -6.957 12.911 446 HZ2 LYS 53 1HZ LYS 53 -11.660 -7.931 12.603 447 HZ3 LYS 53 2HZ LYS 53 -11.538 -6.399 11.891 448 H GLN 54 H GLN 54 -11.112 -10.691 7.050 449 HA GLN 54 HA GLN 54 -13.789 -11.379 8.018 450 HB2 GLN 54 2HB GLN 54 -12.948 -9.823 5.560 451 HB3 GLN 54 1HB GLN 54 -14.604 -10.089 6.084 452 HG2 GLN 54 2HG GLN 54 -14.143 -8.818 8.133 453 HG3 GLN 54 1HG GLN 54 -12.501 -8.522 7.560 454 HE21 GLN 54 1HE2 GLN 54 -12.172 -7.112 5.832 455 HE22 GLN 54 2HE2 GLN 54 -13.393 -6.013 5.301 456 H LYS 55 H LYS 55 -14.825 -13.146 7.231 457 HA LYS 55 HA LYS 55 -13.529 -14.762 5.220 458 HB2 LYS 55 2HB LYS 55 -16.271 -15.187 6.420 459 HB3 LYS 55 1HB LYS 55 -15.269 -16.379 5.607 460 HG2 LYS 55 2HG LYS 55 -14.794 -15.124 8.303 461 HG3 LYS 55 1HG LYS 55 -15.191 -16.803 7.953 462 HD2 LYS 55 2HD LYS 55 -12.645 -15.387 7.160 463 HD3 LYS 55 1HD LYS 55 -12.817 -16.527 8.493 464 HE2 LYS 55 2HE LYS 55 -13.396 -18.297 6.922 465 HE3 LYS 55 1HE LYS 55 -13.274 -17.161 5.578 466 HZ1 LYS 55 3HZ LYS 55 -10.899 -16.800 6.368 467 HZ2 LYS 55 1HZ LYS 55 -11.236 -18.285 5.613 468 HZ3 LYS 55 2HZ LYS 55 -11.100 -18.203 7.299 469 H LYS 56 H LYS 56 -13.550 -13.468 3.406 470 HA LYS 56 HA LYS 56 -14.260 -12.316 1.601 471 HB2 LYS 56 2HB LYS 56 -16.872 -13.741 2.127 472 HB3 LYS 56 1HB LYS 56 -16.619 -12.661 0.767 473 HG2 LYS 56 2HG LYS 56 -16.249 -14.714 -0.184 474 HG3 LYS 56 1HG LYS 56 -14.609 -14.220 0.237 475 HD2 LYS 56 2HD LYS 56 -14.718 -16.429 0.961 476 HD3 LYS 56 1HD LYS 56 -15.013 -15.501 2.430 477 HE2 LYS 56 2HE LYS 56 -17.169 -16.698 0.693 478 HE3 LYS 56 1HE LYS 56 -16.528 -17.451 2.148 479 HZ1 LYS 56 3HZ LYS 56 -17.225 -15.262 3.270 480 HZ2 LYS 56 1HZ LYS 56 -18.431 -16.388 2.872 481 HZ3 LYS 56 2HZ LYS 56 -18.188 -15.023 1.899 482 H1 GLY 2 1HT GLY 2 24.292 17.404 6.851 483 H2 GLY 2 2HT GLY 2 24.175 17.491 8.538 484 H3 GLY 2 3HT GLY 2 23.716 18.817 7.590 485 HA2 GLY 2 1HA GLY 2 21.777 17.634 8.407 486 HA3 GLY 2 2HA GLY 2 21.886 17.589 6.653 487 H ARG 3 H ARG 3 23.653 15.702 9.093 488 HA ARG 3 HA ARG 3 22.296 13.275 8.163 489 HB2 ARG 3 2HB ARG 3 24.459 13.717 6.855 490 HB3 ARG 3 1HB ARG 3 25.301 13.403 8.367 491 HG2 ARG 3 2HG ARG 3 24.051 11.188 8.411 492 HG3 ARG 3 1HG ARG 3 23.645 11.522 6.727 493 HD2 ARG 3 2HD ARG 3 25.569 10.268 6.507 494 HD3 ARG 3 1HD ARG 3 26.202 11.916 6.471 495 HE ARG 3 HE ARG 3 26.206 11.044 9.125 496 HH11 ARG 3 1HH1 ARG 3 27.877 10.425 6.108 497 HH12 ARG 3 2HH1 ARG 3 29.274 9.745 6.884 498 HH21 ARG 3 1HH2 ARG 3 28.043 10.144 10.146 499 HH22 ARG 3 2HH2 ARG 3 29.374 9.595 9.169 500 HA PRO 4 HA PRO 4 22.734 13.528 12.806 501 HB2 PRO 4 2HB PRO 4 20.320 11.818 12.497 502 HB3 PRO 4 1HB PRO 4 20.599 13.188 13.577 503 HG2 PRO 4 2HG PRO 4 19.040 13.438 11.430 504 HG3 PRO 4 1HG PRO 4 20.120 14.753 11.934 505 HD2 PRO 4 2HD PRO 4 20.432 12.789 9.700 506 HD3 PRO 4 1HD PRO 4 20.862 14.511 9.758 507 H TYR 5 H TYR 5 21.279 10.586 11.410 508 HA TYR 5 HA TYR 5 23.511 9.045 12.510 509 HB2 TYR 5 2HB TYR 5 20.832 8.142 11.427 510 HB3 TYR 5 1HB TYR 5 22.095 7.050 11.988 511 HD1 TYR 5 1HD TYR 5 22.746 7.051 14.386 512 HD2 TYR 5 2HD TYR 5 19.418 9.282 12.960 513 HE1 TYR 5 1HE TYR 5 21.904 7.251 16.686 514 HE2 TYR 5 2HE TYR 5 18.566 9.493 15.255 515 HH TYR 5 HH TYR 5 20.453 8.711 17.993 516 H LYS 6 H LYS 6 21.547 8.364 9.646 517 HA LYS 6 HA LYS 6 23.777 8.953 7.896 518 HB2 LYS 6 2HB LYS 6 23.674 6.686 6.829 519 HB3 LYS 6 1HB LYS 6 24.369 6.718 8.442 520 HG2 LYS 6 2HG LYS 6 22.161 5.977 9.330 521 HG3 LYS 6 1HG LYS 6 21.624 5.779 7.659 522 HD2 LYS 6 2HD LYS 6 23.526 4.223 7.292 523 HD3 LYS 6 1HD LYS 6 23.913 4.352 9.008 524 HE2 LYS 6 2HE LYS 6 21.399 3.241 7.775 525 HE3 LYS 6 1HE LYS 6 22.643 2.351 8.651 526 HZ1 LYS 6 3HZ LYS 6 22.053 3.815 10.606 527 HZ2 LYS 6 1HZ LYS 6 20.896 2.660 10.156 528 HZ3 LYS 6 2HZ LYS 6 20.680 4.284 9.727 529 H LEU 7 H LEU 7 22.320 10.539 7.253 530 HA LEU 7 HA LEU 7 20.779 11.529 5.951 531 HB2 LEU 7 2HB LEU 7 21.066 8.909 4.533 532 HB3 LEU 7 1HB LEU 7 19.863 10.068 4.006 533 HG LEU 7 HG LEU 7 21.758 11.749 3.799 534 HD11 LEU 7 1HD1 LEU 7 23.429 9.252 4.011 535 HD12 LEU 7 2HD1 LEU 7 23.413 10.597 5.153 536 HD13 LEU 7 3HD1 LEU 7 24.003 10.843 3.509 537 HD21 LEU 7 3HD2 LEU 7 22.454 10.879 1.619 538 HD22 LEU 7 1HD2 LEU 7 20.717 10.708 1.872 539 HD23 LEU 7 2HD2 LEU 7 21.775 9.307 2.036 540 H LEU 8 H LEU 8 19.742 11.015 8.202 541 HA LEU 8 HA LEU 8 17.754 11.074 9.264 542 HB2 LEU 8 2HB LEU 8 16.592 10.565 6.528 543 HB3 LEU 8 1HB LEU 8 15.665 10.999 7.951 544 HG LEU 8 HG LEU 8 17.779 12.738 6.672 545 HD11 LEU 8 1HD1 LEU 8 14.772 12.899 6.572 546 HD12 LEU 8 2HD1 LEU 8 15.846 12.510 5.228 547 HD13 LEU 8 3HD1 LEU 8 15.884 14.120 5.948 548 HD21 LEU 8 3HD2 LEU 8 17.577 13.154 9.053 549 HD22 LEU 8 1HD2 LEU 8 15.825 13.287 8.903 550 HD23 LEU 8 2HD2 LEU 8 16.868 14.486 8.140 551 H ASN 9 H ASN 9 16.482 9.711 10.401 552 HA ASN 9 HA ASN 9 16.859 6.867 9.893 553 HB2 ASN 9 2HB ASN 9 15.866 6.540 12.138 554 HB3 ASN 9 1HB ASN 9 17.276 7.587 12.162 555 HD21 ASN 9 1HD2 ASN 9 16.724 8.533 14.078 556 HD22 ASN 9 2HD2 ASN 9 15.404 9.634 14.245 557 H GLY 10 H GLY 10 14.681 9.132 8.939 558 HA2 GLY 10 2HA GLY 10 12.713 7.138 8.263 559 HA3 GLY 10 1HA GLY 10 12.153 8.284 9.471 560 H ILE 11 H ILE 11 11.432 7.711 6.601 561 HA ILE 11 HA ILE 11 11.659 10.470 5.567 562 HB ILE 11 HB ILE 11 11.512 8.008 3.821 563 HG12 ILE 11 2HG1 ILE 11 13.613 7.959 5.133 564 HG13 ILE 11 1HG1 ILE 11 13.891 8.168 3.408 565 HG21 ILE 11 1HG2 ILE 11 10.766 10.020 2.736 566 HG22 ILE 11 2HG2 ILE 11 12.331 9.551 2.074 567 HG23 ILE 11 3HG2 ILE 11 12.226 10.873 3.236 568 HD11 ILE 11 3HD1 ILE 11 15.367 9.579 4.716 569 HD12 ILE 11 1HD1 ILE 11 13.978 10.333 5.499 570 HD13 ILE 11 2HD1 ILE 11 14.247 10.564 3.773 571 H LYS 12 H LYS 12 9.803 11.108 4.209 572 HA LYS 12 HA LYS 12 7.345 9.886 5.244 573 HB2 LYS 12 2HB LYS 12 7.622 12.271 5.674 574 HB3 LYS 12 1HB LYS 12 7.856 12.578 3.961 575 HG2 LYS 12 2HG LYS 12 5.664 13.232 4.365 576 HG3 LYS 12 1HG LYS 12 5.503 11.627 3.652 577 HD2 LYS 12 2HD LYS 12 5.227 10.663 5.884 578 HD3 LYS 12 1HD LYS 12 5.409 12.265 6.601 579 HE2 LYS 12 2HE LYS 12 3.420 12.938 5.127 580 HE3 LYS 12 1HE LYS 12 3.165 11.208 4.907 581 HZ1 LYS 12 3HZ LYS 12 3.113 12.721 7.463 582 HZ2 LYS 12 1HZ LYS 12 3.078 11.029 7.379 583 HZ3 LYS 12 2HZ LYS 12 1.811 11.936 6.715 584 H LEU 13 H LEU 13 5.939 8.894 3.984 585 HA LEU 13 HA LEU 13 6.085 9.239 1.079 586 HB2 LEU 13 2HB LEU 13 5.622 6.765 0.870 587 HB3 LEU 13 1HB LEU 13 7.242 7.197 1.372 588 HG LEU 13 HG LEU 13 5.189 6.478 3.438 589 HD11 LEU 13 1HD1 LEU 13 5.926 4.145 3.293 590 HD12 LEU 13 2HD1 LEU 13 6.868 4.535 1.853 591 HD13 LEU 13 3HD1 LEU 13 5.108 4.663 1.818 592 HD21 LEU 13 3HD2 LEU 13 7.218 5.683 4.623 593 HD22 LEU 13 1HD2 LEU 13 7.278 7.407 4.242 594 HD23 LEU 13 2HD2 LEU 13 8.196 6.252 3.272 595 H GLY 14 H GLY 14 4.072 8.441 0.011 596 HA2 GLY 14 2HA GLY 14 1.749 8.500 1.789 597 HA3 GLY 14 1HA GLY 14 1.893 9.765 0.579 598 H VAL 15 H VAL 15 -0.109 7.641 0.951 599 HA VAL 15 HA VAL 15 0.105 6.364 -1.698 600 HB VAL 15 HB VAL 15 -1.214 4.983 0.635 601 HG11 VAL 15 1HG1 VAL 15 -0.769 2.964 -0.690 602 HG12 VAL 15 2HG1 VAL 15 -0.045 3.966 -1.948 603 HG13 VAL 15 3HG1 VAL 15 -1.757 4.139 -1.562 604 HG21 VAL 15 3HG2 VAL 15 0.826 3.670 0.990 605 HG22 VAL 15 1HG2 VAL 15 1.062 5.377 1.364 606 HG23 VAL 15 2HG2 VAL 15 1.685 4.710 -0.146 607 H TYR 16 H TYR 16 -2.047 5.695 -2.552 608 HA TYR 16 HA TYR 16 -4.315 7.085 -1.305 609 HB2 TYR 16 2HB TYR 16 -3.495 7.054 -4.180 610 HB3 TYR 16 1HB TYR 16 -5.214 7.057 -3.789 611 HD1 TYR 16 1HD TYR 16 -5.994 8.854 -2.115 612 HD2 TYR 16 2HD TYR 16 -2.361 9.085 -4.305 613 HE1 TYR 16 1HE TYR 16 -5.953 11.272 -1.758 614 HE2 TYR 16 2HE TYR 16 -2.305 11.520 -3.964 615 HH TYR 16 HH TYR 16 -3.753 13.351 -3.434 616 H ILE 17 H ILE 17 -5.839 5.749 -0.690 617 HA ILE 17 HA ILE 17 -6.294 3.278 -2.193 618 HB ILE 17 HB ILE 17 -6.546 1.985 -0.087 619 HG12 ILE 17 2HG1 ILE 17 -5.251 4.415 1.168 620 HG13 ILE 17 1HG1 ILE 17 -6.892 3.849 1.461 621 HG21 ILE 17 1HG2 ILE 17 -4.528 1.791 -1.416 622 HG22 ILE 17 2HG2 ILE 17 -4.145 1.665 0.300 623 HG23 ILE 17 3HG2 ILE 17 -3.813 3.162 -0.570 624 HD11 ILE 17 3HD1 ILE 17 -4.377 2.347 2.143 625 HD12 ILE 17 1HD1 ILE 17 -6.027 1.819 2.474 626 HD13 ILE 17 2HD1 ILE 17 -5.381 3.253 3.275 627 HA PRO 18 HA PRO 18 -10.566 4.157 -2.000 628 HB2 PRO 18 2HB PRO 18 -10.997 1.341 -1.147 629 HB3 PRO 18 1HB PRO 18 -11.662 2.212 -2.531 630 HG2 PRO 18 2HG PRO 18 -9.736 0.408 -2.861 631 HG3 PRO 18 1HG PRO 18 -9.753 1.907 -3.811 632 HD2 PRO 18 2HD PRO 18 -8.061 1.171 -1.457 633 HD3 PRO 18 1HD PRO 18 -7.634 2.093 -2.915 634 H GLN 19 H GLN 19 -12.375 4.415 -0.640 635 HA GLN 19 HA GLN 19 -11.798 4.867 2.094 636 HB2 GLN 19 2HB GLN 19 -13.940 5.763 2.251 637 HB3 GLN 19 1HB GLN 19 -13.566 5.983 0.548 638 HG2 GLN 19 2HG GLN 19 -15.585 5.085 0.222 639 HG3 GLN 19 1HG GLN 19 -14.755 3.554 0.496 640 HE21 GLN 19 1HE2 GLN 19 -16.482 2.474 1.367 641 HE22 GLN 19 2HE2 GLN 19 -17.193 2.898 2.892 642 H GLU 20 H GLU 20 -13.008 2.153 0.336 643 HA GLU 20 HA GLU 20 -14.200 0.605 2.308 644 HB2 GLU 20 2HB GLU 20 -12.337 -0.348 0.117 645 HB3 GLU 20 1HB GLU 20 -13.483 -1.345 0.998 646 HG2 GLU 20 2HG GLU 20 -14.146 0.919 -0.865 647 HG3 GLU 20 1HG GLU 20 -14.348 -0.803 -1.184 648 H TRP 21 H TRP 21 -10.840 1.197 1.569 649 HA TRP 21 HA TRP 21 -9.782 -0.725 3.401 650 HB2 TRP 21 2HB TRP 21 -8.584 1.648 1.967 651 HB3 TRP 21 1HB TRP 21 -7.655 0.611 3.038 652 HD1 TRP 21 HD TRP 21 -10.116 -0.622 0.283 653 HE1 TRP 21 1HE TRP 21 -8.730 -2.013 -1.395 654 HE3 TRP 21 3HE TRP 21 -5.514 0.104 2.308 655 HZ2 TRP 21 2HZ TRP 21 -5.979 -2.688 -1.790 656 HZ3 TRP 21 3HZ TRP 21 -3.560 -0.915 1.245 657 HH2 TRP 21 HH TRP 21 -3.769 -2.268 -0.752 658 H HIS 22 H HIS 22 -10.108 2.797 3.315 659 HA HIS 22 HA HIS 22 -8.844 3.334 5.731 660 HB2 HIS 22 2HB HIS 22 -10.852 4.831 4.098 661 HB3 HIS 22 1HB HIS 22 -10.404 5.433 5.695 662 HD1 HIS 22 1HD HIS 22 -8.263 6.715 5.876 663 HD2 HIS 22 2HD HIS 22 -8.610 4.672 2.262 664 HE1 HIS 22 1HE HIS 22 -6.324 7.485 4.467 665 HE2 HIS 22 2HE HIS 22 -6.621 6.328 2.249 666 H ASP 23 H ASP 23 -12.335 2.854 5.129 667 HA ASP 23 HA ASP 23 -13.150 3.312 7.768 668 HB2 ASP 23 2HB ASP 23 -14.748 3.219 5.927 669 HB3 ASP 23 1HB ASP 23 -14.412 1.503 5.698 670 H ARG 24 H ARG 24 -12.338 0.217 6.174 671 HA ARG 24 HA ARG 24 -12.970 -1.278 8.536 672 HB2 ARG 24 2HB ARG 24 -11.678 -1.992 5.917 673 HB3 ARG 24 1HB ARG 24 -11.731 -3.145 7.240 674 HG2 ARG 24 2HG ARG 24 -13.545 -3.578 5.729 675 HG3 ARG 24 1HG ARG 24 -14.193 -2.973 7.254 676 HD2 ARG 24 2HD ARG 24 -14.657 -0.850 6.320 677 HD3 ARG 24 1HD ARG 24 -13.688 -1.190 4.888 678 HE ARG 24 HE ARG 24 -15.917 -2.986 5.252 679 HH11 ARG 24 1HH1 ARG 24 -14.972 0.136 3.966 680 HH12 ARG 24 2HH1 ARG 24 -16.171 0.126 2.713 681 HH21 ARG 24 1HH2 ARG 24 -17.501 -2.991 3.611 682 HH22 ARG 24 2HH2 ARG 24 -17.597 -1.663 2.500 683 H LEU 25 H LEU 25 -10.004 -0.043 7.089 684 HA LEU 25 HA LEU 25 -8.235 -1.322 8.905 685 HB2 LEU 25 2HB LEU 25 -7.917 1.071 7.108 686 HB3 LEU 25 1HB LEU 25 -6.626 0.507 8.153 687 HG LEU 25 HG LEU 25 -7.921 -1.083 5.934 688 HD11 LEU 25 1HD1 LEU 25 -6.519 0.718 5.096 689 HD12 LEU 25 2HD1 LEU 25 -5.751 -0.845 4.822 690 HD13 LEU 25 3HD1 LEU 25 -5.195 0.192 6.135 691 HD21 LEU 25 3HD2 LEU 25 -7.194 -2.494 7.801 692 HD22 LEU 25 1HD2 LEU 25 -5.588 -1.770 7.722 693 HD23 LEU 25 2HD2 LEU 25 -6.189 -2.737 6.374 694 H MET 26 H MET 26 -9.981 1.750 8.980 695 HA MET 26 HA MET 26 -8.639 2.885 11.169 696 HB2 MET 26 2HB MET 26 -11.443 3.224 10.140 697 HB3 MET 26 1HB MET 26 -10.905 4.042 11.598 698 HG2 MET 26 2HG MET 26 -9.701 4.335 8.856 699 HG3 MET 26 1HG MET 26 -10.758 5.492 9.662 700 HE1 MET 26 3HE MET 26 -8.490 6.619 12.690 701 HE2 MET 26 1HE MET 26 -9.587 5.238 12.703 702 HE3 MET 26 2HE MET 26 -10.081 6.748 11.938 703 H GLU 27 H GLU 27 -11.393 0.663 11.041 704 HA GLU 27 HA GLU 27 -11.818 0.611 13.828 705 HB2 GLU 27 2HB GLU 27 -13.478 -0.250 12.271 706 HB3 GLU 27 1HB GLU 27 -12.372 -1.522 11.764 707 HG2 GLU 27 2HG GLU 27 -12.486 -2.579 13.885 708 HG3 GLU 27 1HG GLU 27 -13.356 -1.213 14.583 709 H ILE 28 H ILE 28 -9.800 -1.386 11.719 710 HA ILE 28 HA ILE 28 -8.875 -3.164 13.714 711 HB ILE 28 HB ILE 28 -7.489 -2.291 11.168 712 HG12 ILE 28 2HG1 ILE 28 -9.244 -4.699 11.711 713 HG13 ILE 28 1HG1 ILE 28 -9.742 -3.262 10.821 714 HG21 ILE 28 1HG2 ILE 28 -7.020 -4.715 12.900 715 HG22 ILE 28 2HG2 ILE 28 -5.939 -3.332 12.736 716 HG23 ILE 28 3HG2 ILE 28 -6.237 -4.388 11.355 717 HD11 ILE 28 3HD1 ILE 28 -7.588 -5.205 10.023 718 HD12 ILE 28 1HD1 ILE 28 -8.010 -3.738 9.140 719 HD13 ILE 28 2HD1 ILE 28 -9.185 -5.043 9.295 720 H ALA 29 H ALA 29 -7.852 -0.034 12.596 721 HA ALA 29 HA ALA 29 -5.395 0.202 13.928 722 HB1 ALA 29 1HB ALA 29 -5.676 2.609 13.590 723 HB2 ALA 29 2HB ALA 29 -7.373 2.357 13.181 724 HB3 ALA 29 3HB ALA 29 -6.109 1.706 12.138 725 H LYS 30 H LYS 30 -8.695 0.637 14.987 726 HA LYS 30 HA LYS 30 -7.957 1.891 17.475 727 HB2 LYS 30 2HB LYS 30 -10.597 0.728 16.564 728 HB3 LYS 30 1HB LYS 30 -10.356 1.710 18.007 729 HG2 LYS 30 2HG LYS 30 -9.821 3.636 16.718 730 HG3 LYS 30 1HG LYS 30 -9.740 2.691 15.229 731 HD2 LYS 30 2HD LYS 30 -12.128 2.226 15.383 732 HD3 LYS 30 1HD LYS 30 -12.217 3.132 16.894 733 HE2 LYS 30 2HE LYS 30 -11.607 5.171 15.759 734 HE3 LYS 30 1HE LYS 30 -11.345 4.294 14.251 735 HZ1 LYS 30 3HZ LYS 30 -13.663 3.808 14.108 736 HZ2 LYS 30 1HZ LYS 30 -13.495 5.474 14.359 737 HZ3 LYS 30 2HZ LYS 30 -13.963 4.467 15.640 738 H GLU 31 H GLU 31 -8.788 -1.307 16.331 739 HA GLU 31 HA GLU 31 -9.102 -2.609 18.792 740 HB2 GLU 31 2HB GLU 31 -7.899 -3.784 16.276 741 HB3 GLU 31 1HB GLU 31 -8.621 -4.678 17.603 742 HG2 GLU 31 2HG GLU 31 -10.798 -3.700 17.067 743 HG3 GLU 31 1HG GLU 31 -10.064 -2.819 15.726 744 H LYS 32 H LYS 32 -6.250 -2.208 16.744 745 HA LYS 32 HA LYS 32 -4.619 -3.593 18.725 746 HB2 LYS 32 2HB LYS 32 -4.121 -2.891 15.833 747 HB3 LYS 32 1HB LYS 32 -2.952 -3.712 16.865 748 HG2 LYS 32 2HG LYS 32 -4.276 -5.625 17.049 749 HG3 LYS 32 1HG LYS 32 -5.725 -4.782 16.503 750 HD2 LYS 32 2HD LYS 32 -4.785 -4.603 14.260 751 HD3 LYS 32 1HD LYS 32 -3.312 -5.408 14.802 752 HE2 LYS 32 2HE LYS 32 -4.904 -6.906 13.608 753 HE3 LYS 32 1HE LYS 32 -4.501 -7.441 15.239 754 HZ1 LYS 32 3HZ LYS 32 -6.885 -7.628 14.721 755 HZ2 LYS 32 1HZ LYS 32 -6.972 -5.946 14.520 756 HZ3 LYS 32 2HZ LYS 32 -6.592 -6.603 16.036 757 H ASN 33 H ASN 33 -5.411 -0.480 18.106 758 HA ASN 33 HA ASN 33 -4.589 1.540 18.734 759 HB2 ASN 33 2HB ASN 33 -2.596 -0.150 20.251 760 HB3 ASN 33 1HB ASN 33 -2.675 1.605 20.367 761 HD21 ASN 33 1HD2 ASN 33 -4.096 -1.390 21.292 762 HD22 ASN 33 2HD2 ASN 33 -5.265 -0.733 22.392 763 H LEU 34 H LEU 34 -4.066 1.070 16.292 764 HA LEU 34 HA LEU 34 -1.302 1.956 15.830 765 HB2 LEU 34 2HB LEU 34 -2.798 -0.113 14.203 766 HB3 LEU 34 1HB LEU 34 -1.223 0.549 13.803 767 HG LEU 34 HG LEU 34 -1.809 -1.090 16.272 768 HD11 LEU 34 1HD1 LEU 34 -0.478 -1.879 13.683 769 HD12 LEU 34 2HD1 LEU 34 -2.056 -2.426 14.249 770 HD13 LEU 34 3HD1 LEU 34 -0.596 -2.881 15.129 771 HD21 LEU 34 3HD2 LEU 34 0.793 -0.148 15.067 772 HD22 LEU 34 1HD2 LEU 34 0.626 -1.199 16.473 773 HD23 LEU 34 2HD2 LEU 34 0.054 0.467 16.544 774 H THR 35 H THR 35 -1.107 3.020 13.635 775 HA THR 35 HA THR 35 -3.682 4.170 12.791 776 HB THR 35 HB THR 35 -2.398 5.918 11.659 777 HG1 THR 35 1HG THR 35 -0.053 4.848 12.874 778 HG21 THR 35 3HG2 THR 35 -1.569 5.535 14.536 779 HG22 THR 35 1HG2 THR 35 -3.050 6.309 13.970 780 HG23 THR 35 2HG2 THR 35 -1.486 7.051 13.640 781 H LEU 36 H LEU 36 -3.921 4.495 10.406 782 HA LEU 36 HA LEU 36 -3.425 2.220 8.859 783 HB2 LEU 36 2HB LEU 36 -4.076 3.530 6.939 784 HB3 LEU 36 1HB LEU 36 -5.121 3.895 8.292 785 HG LEU 36 HG LEU 36 -2.839 5.670 7.406 786 HD11 LEU 36 1HD1 LEU 36 -4.580 7.090 6.439 787 HD12 LEU 36 2HD1 LEU 36 -5.792 5.872 6.835 788 HD13 LEU 36 3HD1 LEU 36 -4.527 5.508 5.661 789 HD21 LEU 36 3HD2 LEU 36 -5.144 6.131 9.305 790 HD22 LEU 36 1HD2 LEU 36 -4.022 7.376 8.751 791 HD23 LEU 36 2HD2 LEU 36 -3.434 6.033 9.729 792 H SER 37 H SER 37 -1.521 5.137 9.282 793 HA SER 37 HA SER 37 0.525 4.585 7.467 794 HB2 SER 37 2HB SER 37 0.842 5.859 10.198 795 HB3 SER 37 1HB SER 37 1.867 6.104 8.781 796 HG SER 37 HG SER 37 0.472 7.489 8.005 797 H ASP 38 H ASP 38 0.157 3.630 10.874 798 HA ASP 38 HA ASP 38 2.550 2.155 11.063 799 HB2 ASP 38 2HB ASP 38 -0.043 1.918 12.592 800 HB3 ASP 38 1HB ASP 38 1.380 0.954 12.966 801 H VAL 39 H VAL 39 -0.771 1.134 10.322 802 HA VAL 39 HA VAL 39 -0.222 -1.616 10.162 803 HB VAL 39 HB VAL 39 -2.400 -0.056 8.755 804 HG11 VAL 39 1HG1 VAL 39 -2.124 -3.014 9.281 805 HG12 VAL 39 2HG1 VAL 39 -2.143 -2.214 7.710 806 HG13 VAL 39 3HG1 VAL 39 -3.596 -2.229 8.710 807 HG21 VAL 39 3HG2 VAL 39 -3.809 -0.754 10.630 808 HG22 VAL 39 1HG2 VAL 39 -2.446 0.224 11.177 809 HG23 VAL 39 2HG2 VAL 39 -2.417 -1.526 11.390 810 H CYS 40 H CYS 40 -0.008 0.942 7.741 811 HA CYS 40 HA CYS 40 0.242 -0.737 5.489 812 HB2 CYS 40 2HB CYS 40 -0.145 1.882 5.747 813 HB3 CYS 40 1HB CYS 40 1.610 1.936 5.533 814 HG CYS 40 HG CYS 40 0.036 0.056 3.263 815 H ARG 41 H ARG 41 2.783 0.972 7.343 816 HA ARG 41 HA ARG 41 4.919 -0.339 6.065 817 HB2 ARG 41 2HB ARG 41 6.305 0.546 7.936 818 HB3 ARG 41 1HB ARG 41 5.354 1.751 7.087 819 HG2 ARG 41 2HG ARG 41 4.945 2.432 9.190 820 HG3 ARG 41 1HG ARG 41 3.662 1.229 9.070 821 HD2 ARG 41 2HD ARG 41 4.996 -0.398 10.219 822 HD3 ARG 41 1HD ARG 41 6.398 0.680 10.199 823 HE ARG 41 HE ARG 41 4.039 1.710 11.525 824 HH11 ARG 41 1HH1 ARG 41 7.102 0.055 11.921 825 HH12 ARG 41 2HH1 ARG 41 7.227 0.444 13.612 826 HH21 ARG 41 1HH2 ARG 41 4.215 2.234 13.735 827 HH22 ARG 41 2HH2 ARG 41 5.612 1.698 14.631 828 H LEU 42 H LEU 42 3.104 -1.170 9.004 829 HA LEU 42 HA LEU 42 4.874 -3.276 9.753 830 HB2 LEU 42 2HB LEU 42 1.958 -2.843 10.395 831 HB3 LEU 42 1HB LEU 42 2.952 -4.095 11.114 832 HG LEU 42 HG LEU 42 3.425 -1.125 11.384 833 HD11 LEU 42 1HD1 LEU 42 2.740 -1.453 13.712 834 HD12 LEU 42 2HD1 LEU 42 2.354 -3.139 13.362 835 HD13 LEU 42 3HD1 LEU 42 1.437 -1.845 12.592 836 HD21 LEU 42 3HD2 LEU 42 5.098 -1.763 13.041 837 HD22 LEU 42 1HD2 LEU 42 5.488 -2.436 11.459 838 HD23 LEU 42 2HD2 LEU 42 4.790 -3.467 12.707 839 H ALA 43 H ALA 43 2.381 -2.924 7.430 840 HA ALA 43 HA ALA 43 1.820 -5.678 7.064 841 HB1 ALA 43 1HB ALA 43 1.379 -3.380 5.166 842 HB2 ALA 43 2HB ALA 43 0.252 -3.910 6.414 843 HB3 ALA 43 3HB ALA 43 0.638 -4.977 5.065 844 H ILE 44 H ILE 44 4.068 -3.376 5.504 845 HA ILE 44 HA ILE 44 4.923 -5.297 3.571 846 HB ILE 44 HB ILE 44 6.878 -3.871 3.152 847 HG12 ILE 44 2HG1 ILE 44 5.736 -2.151 5.358 848 HG13 ILE 44 1HG1 ILE 44 7.289 -2.985 5.374 849 HG21 ILE 44 1HG2 ILE 44 4.272 -2.393 3.265 850 HG22 ILE 44 2HG2 ILE 44 4.791 -3.494 1.987 851 HG23 ILE 44 3HG2 ILE 44 5.655 -1.978 2.252 852 HD11 ILE 44 3HD1 ILE 44 6.510 -0.741 3.522 853 HD12 ILE 44 1HD1 ILE 44 8.053 -1.594 3.517 854 HD13 ILE 44 2HD1 ILE 44 7.588 -0.625 4.914 855 H LYS 45 H LYS 45 5.853 -4.523 6.833 856 HA LYS 45 HA LYS 45 8.175 -6.053 6.997 857 HB2 LYS 45 2HB LYS 45 7.463 -4.620 8.825 858 HB3 LYS 45 1HB LYS 45 6.017 -5.588 9.063 859 HG2 LYS 45 2HG LYS 45 7.319 -7.449 9.836 860 HG3 LYS 45 1HG LYS 45 8.822 -6.609 9.442 861 HD2 LYS 45 2HD LYS 45 8.361 -4.928 11.117 862 HD3 LYS 45 1HD LYS 45 6.789 -5.654 11.454 863 HE2 LYS 45 2HE LYS 45 8.521 -6.239 13.124 864 HE3 LYS 45 1HE LYS 45 7.829 -7.642 12.313 865 HZ1 LYS 45 3HZ LYS 45 10.379 -6.381 11.473 866 HZ2 LYS 45 1HZ LYS 45 9.755 -7.883 10.987 867 HZ3 LYS 45 2HZ LYS 45 10.299 -7.661 12.579 868 H GLU 46 H GLU 46 4.783 -6.933 7.219 869 HA GLU 46 HA GLU 46 5.166 -9.717 7.699 870 HB2 GLU 46 2HB GLU 46 3.093 -8.506 8.255 871 HB3 GLU 46 1HB GLU 46 2.817 -8.187 6.551 872 HG2 GLU 46 2HG GLU 46 1.391 -9.952 7.092 873 HG3 GLU 46 1HG GLU 46 2.741 -10.698 6.241 874 H TYR 47 H TYR 47 4.732 -7.675 4.884 875 HA TYR 47 HA TYR 47 4.357 -9.678 2.965 876 HB2 TYR 47 2HB TYR 47 3.872 -7.233 2.669 877 HB3 TYR 47 1HB TYR 47 5.604 -6.954 2.550 878 HD1 TYR 47 1HD TYR 47 6.848 -7.691 0.554 879 HD2 TYR 47 2HD TYR 47 2.632 -8.195 0.841 880 HE1 TYR 47 1HE TYR 47 6.735 -8.089 -1.872 881 HE2 TYR 47 2HE TYR 47 2.509 -8.589 -1.582 882 HH TYR 47 HH TYR 47 3.858 -8.038 -3.618 883 H LEU 48 H LEU 48 7.247 -8.061 4.176 884 HA LEU 48 HA LEU 48 9.073 -9.296 2.409 885 HB2 LEU 48 2HB LEU 48 9.546 -8.156 5.163 886 HB3 LEU 48 1HB LEU 48 10.803 -8.591 4.022 887 HG LEU 48 HG LEU 48 8.765 -6.391 3.696 888 HD11 LEU 48 1HD1 LEU 48 10.542 -5.857 5.266 889 HD12 LEU 48 2HD1 LEU 48 10.715 -4.919 3.782 890 HD13 LEU 48 3HD1 LEU 48 11.756 -6.314 4.070 891 HD21 LEU 48 3HD2 LEU 48 10.970 -7.251 1.823 892 HD22 LEU 48 1HD2 LEU 48 9.924 -5.846 1.620 893 HD23 LEU 48 2HD2 LEU 48 9.242 -7.472 1.552 894 H ASP 49 H ASP 49 7.855 -10.179 5.605 895 HA ASP 49 HA ASP 49 9.613 -12.327 6.050 896 HB2 ASP 49 2HB ASP 49 8.235 -11.391 7.838 897 HB3 ASP 49 1HB ASP 49 6.779 -11.976 7.036 898 H ASN 50 H ASN 50 6.409 -12.261 4.515 899 HA ASN 50 HA ASN 50 6.342 -15.111 4.189 900 HB2 ASN 50 2HB ASN 50 4.557 -12.899 3.190 901 HB3 ASN 50 1HB ASN 50 4.282 -14.592 2.788 902 HD21 ASN 50 1HD2 ASN 50 4.317 -12.215 5.326 903 HD22 ASN 50 2HD2 ASN 50 3.437 -13.148 6.487 904 H HIS 51 H HIS 51 7.036 -12.393 2.025 905 HA HIS 51 HA HIS 51 7.313 -14.235 -0.226 906 HB2 HIS 51 2HB HIS 51 7.574 -11.220 -0.077 907 HB3 HIS 51 1HB HIS 51 7.768 -12.159 -1.553 908 HD1 HIS 51 1HD HIS 51 5.698 -12.528 -2.890 909 HD2 HIS 51 2HD HIS 51 4.856 -11.510 1.053 910 HE1 HIS 51 1HE HIS 51 3.204 -12.236 -2.781 911 HE2 HIS 51 2HE HIS 51 2.698 -11.843 -0.338 912 H ASP 52 H ASP 52 9.323 -11.587 1.010 913 HA ASP 52 HA ASP 52 11.455 -11.439 1.688 914 HB2 ASP 52 2HB ASP 52 10.824 -13.338 3.085 915 HB3 ASP 52 1HB ASP 52 11.342 -14.448 1.819 916 H LYS 53 H LYS 53 13.369 -11.119 0.839 917 HA LYS 53 HA LYS 53 14.464 -13.042 -1.064 918 HB2 LYS 53 2HB LYS 53 14.308 -10.064 -1.514 919 HB3 LYS 53 1HB LYS 53 15.501 -11.070 -2.322 920 HG2 LYS 53 2HG LYS 53 13.319 -12.455 -2.953 921 HG3 LYS 53 1HG LYS 53 12.585 -10.862 -2.751 922 HD2 LYS 53 2HD LYS 53 14.966 -11.451 -4.505 923 HD3 LYS 53 1HD LYS 53 13.303 -11.326 -5.078 924 HE2 LYS 53 2HE LYS 53 13.190 -9.021 -4.417 925 HE3 LYS 53 1HE LYS 53 14.774 -9.122 -3.645 926 HZ1 LYS 53 3HZ LYS 53 15.840 -9.296 -5.696 927 HZ2 LYS 53 1HZ LYS 53 14.670 -8.095 -5.948 928 HZ3 LYS 53 2HZ LYS 53 14.412 -9.668 -6.527 929 H GLN 54 H GLN 54 14.771 -12.409 1.777 930 HA GLN 54 HA GLN 54 17.400 -11.143 1.955 931 HB2 GLN 54 2HB GLN 54 15.657 -12.152 4.207 932 HB3 GLN 54 1HB GLN 54 17.026 -11.054 4.327 933 HG2 GLN 54 2HG GLN 54 15.791 -9.351 3.119 934 HG3 GLN 54 1HG GLN 54 14.428 -10.454 2.933 935 HE21 GLN 54 1HE2 GLN 54 13.218 -11.035 4.768 936 HE22 GLN 54 2HE2 GLN 54 13.218 -10.035 6.185 937 H LYS 55 H LYS 55 17.942 -13.269 0.650 938 HA LYS 55 HA LYS 55 18.099 -15.648 2.265 939 HB2 LYS 55 2HB LYS 55 19.139 -15.080 -0.515 940 HB3 LYS 55 1HB LYS 55 19.175 -16.655 0.266 941 HG2 LYS 55 2HG LYS 55 16.737 -15.076 -0.522 942 HG3 LYS 55 1HG LYS 55 17.317 -16.581 -1.238 943 HD2 LYS 55 2HD LYS 55 16.358 -16.238 1.603 944 HD3 LYS 55 1HD LYS 55 15.427 -16.953 0.288 945 HE2 LYS 55 2HE LYS 55 16.990 -18.770 0.099 946 HE3 LYS 55 1HE LYS 55 18.073 -18.014 1.267 947 HZ1 LYS 55 3HZ LYS 55 16.725 -19.816 2.221 948 HZ2 LYS 55 1HZ LYS 55 15.314 -18.939 1.873 949 HZ3 LYS 55 2HZ LYS 55 16.444 -18.328 2.982 950 H LYS 56 H LYS 56 19.386 -14.613 3.929 951 HA LYS 56 HA LYS 56 21.309 -14.453 5.113 952 HB2 LYS 56 2HB LYS 56 22.234 -16.399 3.002 953 HB3 LYS 56 1HB LYS 56 23.141 -16.019 4.459 954 HG2 LYS 56 2HG LYS 56 20.372 -17.205 4.406 955 HG3 LYS 56 1HG LYS 56 21.870 -18.109 4.645 956 HD2 LYS 56 2HD LYS 56 22.332 -16.870 6.675 957 HD3 LYS 56 1HD LYS 56 20.901 -15.869 6.420 958 HE2 LYS 56 2HE LYS 56 20.885 -18.857 6.860 959 HE3 LYS 56 1HE LYS 56 20.531 -17.644 8.090 960 HZ1 LYS 56 3HZ LYS 56 18.985 -18.112 5.597 961 HZ2 LYS 56 1HZ LYS 56 18.665 -16.887 6.724 962 HZ3 LYS 56 2HZ LYS 56 18.500 -18.517 7.167 Start of MODEL 9 1 H1 GLY 2 1HT GLY 2 -14.262 4.508 -12.448 2 H2 GLY 2 2HT GLY 2 -13.078 3.541 -11.719 3 H3 GLY 2 3HT GLY 2 -13.165 5.190 -11.349 4 HA2 GLY 2 1HA GLY 2 -15.234 3.160 -10.705 5 HA3 GLY 2 2HA GLY 2 -14.085 3.842 -9.562 6 H ARG 3 H ARG 3 -16.593 4.095 -8.835 7 HA ARG 3 HA ARG 3 -17.208 6.926 -9.376 8 HB2 ARG 3 2HB ARG 3 -18.925 5.660 -10.472 9 HB3 ARG 3 1HB ARG 3 -19.123 4.607 -9.080 10 HG2 ARG 3 2HG ARG 3 -20.970 6.187 -9.303 11 HG3 ARG 3 1HG ARG 3 -20.081 6.429 -7.799 12 HD2 ARG 3 2HD ARG 3 -20.669 8.554 -8.878 13 HD3 ARG 3 1HD ARG 3 -18.925 8.334 -8.759 14 HE ARG 3 HE ARG 3 -19.737 7.384 -11.259 15 HH11 ARG 3 1HH1 ARG 3 -19.696 10.447 -9.538 16 HH12 ARG 3 2HH1 ARG 3 -19.389 11.385 -10.963 17 HH21 ARG 3 1HH2 ARG 3 -19.324 8.640 -13.136 18 HH22 ARG 3 2HH2 ARG 3 -19.203 10.369 -12.988 19 HA PRO 4 HA PRO 4 -16.520 6.973 -4.922 20 HB2 PRO 4 2HB PRO 4 -17.084 9.842 -5.258 21 HB3 PRO 4 1HB PRO 4 -15.638 9.053 -4.623 22 HG2 PRO 4 2HG PRO 4 -15.643 10.276 -7.011 23 HG3 PRO 4 1HG PRO 4 -14.692 8.809 -6.717 24 HD2 PRO 4 2HD PRO 4 -17.330 9.110 -8.105 25 HD3 PRO 4 1HD PRO 4 -15.931 8.108 -8.552 26 H TYR 5 H TYR 5 -18.175 6.297 -3.706 27 HA TYR 5 HA TYR 5 -20.886 7.008 -4.386 28 HB2 TYR 5 2HB TYR 5 -19.849 5.275 -2.131 29 HB3 TYR 5 1HB TYR 5 -21.524 5.387 -2.663 30 HD1 TYR 5 1HD TYR 5 -22.184 4.469 -4.873 31 HD2 TYR 5 2HD TYR 5 -18.271 3.906 -3.298 32 HE1 TYR 5 1HE TYR 5 -21.814 2.627 -6.463 33 HE2 TYR 5 2HE TYR 5 -17.890 2.070 -4.886 34 HH TYR 5 HH TYR 5 -20.049 1.409 -7.502 35 H LYS 6 H LYS 6 -18.590 8.474 -2.581 36 HA LYS 6 HA LYS 6 -20.582 10.066 -1.182 37 HB2 LYS 6 2HB LYS 6 -19.274 10.014 0.918 38 HB3 LYS 6 1HB LYS 6 -19.929 8.438 0.495 39 HG2 LYS 6 2HG LYS 6 -17.735 7.787 -0.406 40 HG3 LYS 6 1HG LYS 6 -17.091 9.355 0.083 41 HD2 LYS 6 2HD LYS 6 -18.250 7.259 1.919 42 HD3 LYS 6 1HD LYS 6 -16.537 7.620 1.712 43 HE2 LYS 6 2HE LYS 6 -16.953 9.913 2.521 44 HE3 LYS 6 1HE LYS 6 -18.640 9.488 2.796 45 HZ1 LYS 6 3HZ LYS 6 -17.814 7.713 4.324 46 HZ2 LYS 6 1HZ LYS 6 -17.508 9.294 4.849 47 HZ3 LYS 6 2HZ LYS 6 -16.260 8.375 4.169 48 H LEU 7 H LEU 7 -18.867 10.364 -3.484 49 HA LEU 7 HA LEU 7 -17.653 11.958 -4.528 50 HB2 LEU 7 2HB LEU 7 -17.917 13.475 -1.933 51 HB3 LEU 7 1HB LEU 7 -17.313 14.145 -3.434 52 HG LEU 7 HG LEU 7 -20.116 13.129 -2.957 53 HD11 LEU 7 1HD1 LEU 7 -19.068 15.930 -3.330 54 HD12 LEU 7 2HD1 LEU 7 -19.649 15.237 -1.819 55 HD13 LEU 7 3HD1 LEU 7 -20.762 15.471 -3.165 56 HD21 LEU 7 3HD2 LEU 7 -19.442 12.732 -5.251 57 HD22 LEU 7 1HD2 LEU 7 -18.869 14.394 -5.395 58 HD23 LEU 7 2HD2 LEU 7 -20.589 14.070 -5.183 59 H LEU 8 H LEU 8 -16.551 10.159 -2.067 60 HA LEU 8 HA LEU 8 -13.771 10.919 -2.590 61 HB2 LEU 8 2HB LEU 8 -14.941 10.305 0.131 62 HB3 LEU 8 1HB LEU 8 -13.232 10.485 -0.204 63 HG LEU 8 HG LEU 8 -15.290 12.670 -0.536 64 HD11 LEU 8 1HD1 LEU 8 -13.234 12.244 1.630 65 HD12 LEU 8 2HD1 LEU 8 -14.982 12.078 1.811 66 HD13 LEU 8 3HD1 LEU 8 -14.278 13.655 1.455 67 HD21 LEU 8 3HD2 LEU 8 -12.278 12.731 -0.683 68 HD22 LEU 8 1HD2 LEU 8 -13.342 14.133 -0.774 69 HD23 LEU 8 2HD2 LEU 8 -13.387 12.907 -2.041 70 H ASN 9 H ASN 9 -13.165 9.191 -3.749 71 HA ASN 9 HA ASN 9 -14.003 6.513 -2.928 72 HB2 ASN 9 2HB ASN 9 -13.047 5.746 -5.026 73 HB3 ASN 9 1HB ASN 9 -14.091 7.130 -5.335 74 HD21 ASN 9 1HD2 ASN 9 -10.842 5.926 -5.305 75 HD22 ASN 9 2HD2 ASN 9 -10.118 7.280 -6.117 76 H GLY 10 H GLY 10 -11.394 8.659 -2.573 77 HA2 GLY 10 2HA GLY 10 -9.797 6.672 -1.207 78 HA3 GLY 10 1HA GLY 10 -9.088 7.250 -2.708 79 H ILE 11 H ILE 11 -8.105 7.549 0.005 80 HA ILE 11 HA ILE 11 -8.365 10.466 0.407 81 HB ILE 11 HB ILE 11 -8.177 8.406 2.619 82 HG12 ILE 11 2HG1 ILE 11 -10.331 8.190 1.482 83 HG13 ILE 11 1HG1 ILE 11 -10.536 8.868 3.095 84 HG21 ILE 11 1HG2 ILE 11 -8.719 11.368 2.702 85 HG22 ILE 11 2HG2 ILE 11 -7.283 10.534 3.302 86 HG23 ILE 11 3HG2 ILE 11 -8.843 10.280 4.084 87 HD11 ILE 11 3HD1 ILE 11 -11.966 9.976 1.468 88 HD12 ILE 11 1HD1 ILE 11 -10.550 10.412 0.512 89 HD13 ILE 11 2HD1 ILE 11 -10.769 11.096 2.122 90 H LYS 12 H LYS 12 -6.508 11.433 1.567 91 HA LYS 12 HA LYS 12 -4.039 10.125 0.669 92 HB2 LYS 12 2HB LYS 12 -4.392 12.356 -0.192 93 HB3 LYS 12 1HB LYS 12 -4.657 12.986 1.425 94 HG2 LYS 12 2HG LYS 12 -2.490 13.652 0.771 95 HG3 LYS 12 1HG LYS 12 -2.285 12.360 1.955 96 HD2 LYS 12 2HD LYS 12 -1.882 10.761 0.151 97 HD3 LYS 12 1HD LYS 12 -2.131 12.038 -1.044 98 HE2 LYS 12 2HE LYS 12 -0.230 13.279 -0.011 99 HE3 LYS 12 1HE LYS 12 0.063 11.877 1.015 100 HZ1 LYS 12 3HZ LYS 12 0.224 11.964 -1.951 101 HZ2 LYS 12 1HZ LYS 12 0.402 10.561 -1.020 102 HZ3 LYS 12 2HZ LYS 12 1.523 11.818 -0.869 103 H LEU 13 H LEU 13 -2.679 9.284 2.039 104 HA LEU 13 HA LEU 13 -2.606 10.212 4.820 105 HB2 LEU 13 2HB LEU 13 -2.195 7.804 5.470 106 HB3 LEU 13 1HB LEU 13 -3.837 8.206 5.011 107 HG LEU 13 HG LEU 13 -1.975 7.033 2.976 108 HD11 LEU 13 1HD1 LEU 13 -1.803 5.565 4.914 109 HD12 LEU 13 2HD1 LEU 13 -2.729 4.797 3.625 110 HD13 LEU 13 3HD1 LEU 13 -3.561 5.482 5.019 111 HD21 LEU 13 3HD2 LEU 13 -4.120 7.892 2.207 112 HD22 LEU 13 1HD2 LEU 13 -4.961 6.918 3.417 113 HD23 LEU 13 2HD2 LEU 13 -4.095 6.129 2.101 114 H GLY 14 H GLY 14 -0.574 9.412 5.923 115 HA2 GLY 14 2HA GLY 14 1.640 9.118 4.014 116 HA3 GLY 14 1HA GLY 14 1.654 10.477 5.132 117 H VAL 15 H VAL 15 3.141 7.757 4.677 118 HA VAL 15 HA VAL 15 3.085 6.873 7.484 119 HB VAL 15 HB VAL 15 4.269 5.363 5.148 120 HG11 VAL 15 1HG1 VAL 15 3.451 4.484 7.910 121 HG12 VAL 15 2HG1 VAL 15 5.099 4.659 7.306 122 HG13 VAL 15 3HG1 VAL 15 4.040 3.420 6.633 123 HG21 VAL 15 3HG2 VAL 15 1.498 5.092 6.305 124 HG22 VAL 15 1HG2 VAL 15 2.225 4.003 5.121 125 HG23 VAL 15 2HG2 VAL 15 1.906 5.686 4.696 126 H TYR 16 H TYR 16 5.198 6.314 8.430 127 HA TYR 16 HA TYR 16 7.495 7.665 7.203 128 HB2 TYR 16 2HB TYR 16 6.131 8.878 9.201 129 HB3 TYR 16 1HB TYR 16 7.224 7.871 10.144 130 HD1 TYR 16 1HD TYR 16 7.785 9.654 6.941 131 HD2 TYR 16 2HD TYR 16 8.807 9.326 11.051 132 HE1 TYR 16 1HE TYR 16 9.542 11.330 6.625 133 HE2 TYR 16 2HE TYR 16 10.574 11.014 10.751 134 HH TYR 16 HH TYR 16 11.959 11.939 8.909 135 H ILE 17 H ILE 17 9.117 6.227 7.084 136 HA ILE 17 HA ILE 17 9.349 4.166 9.151 137 HB ILE 17 HB ILE 17 9.531 2.349 7.612 138 HG12 ILE 17 2HG1 ILE 17 9.038 4.330 5.378 139 HG13 ILE 17 1HG1 ILE 17 10.582 3.558 5.733 140 HG21 ILE 17 1HG2 ILE 17 7.269 2.241 6.709 141 HG22 ILE 17 2HG2 ILE 17 7.092 3.981 6.937 142 HG23 ILE 17 3HG2 ILE 17 7.282 2.923 8.335 143 HD11 ILE 17 3HD1 ILE 17 9.642 2.348 3.950 144 HD12 ILE 17 1HD1 ILE 17 8.060 2.288 4.729 145 HD13 ILE 17 2HD1 ILE 17 9.399 1.351 5.393 146 HA PRO 18 HA PRO 18 13.687 4.661 9.003 147 HB2 PRO 18 2HB PRO 18 14.088 1.774 8.477 148 HB3 PRO 18 1HB PRO 18 14.648 2.759 9.832 149 HG2 PRO 18 2HG PRO 18 12.665 1.016 10.149 150 HG3 PRO 18 1HG PRO 18 12.620 2.596 10.955 151 HD2 PRO 18 2HD PRO 18 11.193 1.684 8.483 152 HD3 PRO 18 1HD PRO 18 10.585 2.659 9.836 153 H GLN 19 H GLN 19 15.443 4.911 7.700 154 HA GLN 19 HA GLN 19 15.039 5.176 4.965 155 HB2 GLN 19 2HB GLN 19 17.467 5.564 4.805 156 HB3 GLN 19 1HB GLN 19 16.739 6.452 6.136 157 HG2 GLN 19 2HG GLN 19 17.898 5.327 7.698 158 HG3 GLN 19 1HG GLN 19 17.798 3.797 6.824 159 HE21 GLN 19 1HE2 GLN 19 19.379 3.268 5.340 160 HE22 GLN 19 2HE2 GLN 19 20.867 4.141 5.209 161 H GLU 20 H GLU 20 16.340 2.462 6.778 162 HA GLU 20 HA GLU 20 17.609 1.065 4.749 163 HB2 GLU 20 2HB GLU 20 16.105 0.037 7.155 164 HB3 GLU 20 1HB GLU 20 17.075 -0.985 6.103 165 HG2 GLU 20 2HG GLU 20 18.101 1.385 7.653 166 HG3 GLU 20 1HG GLU 20 18.293 -0.306 8.118 167 H TRP 21 H TRP 21 14.176 1.091 5.623 168 HA TRP 21 HA TRP 21 13.489 -0.899 3.677 169 HB2 TRP 21 2HB TRP 21 11.831 1.064 5.255 170 HB3 TRP 21 1HB TRP 21 11.135 -0.057 4.095 171 HD1 TRP 21 HD TRP 21 13.602 -2.175 5.585 172 HE1 TRP 21 1HE TRP 21 12.643 -3.489 7.595 173 HE3 TRP 21 3HE TRP 21 9.416 0.593 6.378 174 HZ2 TRP 21 2HZ TRP 21 10.363 -3.318 9.302 175 HZ3 TRP 21 3HZ TRP 21 7.892 -0.021 8.196 176 HH2 TRP 21 HH TRP 21 8.353 -1.923 9.615 177 H HIS 22 H HIS 22 13.116 2.602 3.966 178 HA HIS 22 HA HIS 22 11.762 3.122 1.608 179 HB2 HIS 22 2HB HIS 22 12.502 4.666 3.601 180 HB3 HIS 22 1HB HIS 22 13.892 5.000 2.573 181 HD1 HIS 22 1HD HIS 22 13.486 6.431 0.451 182 HD2 HIS 22 2HD HIS 22 10.079 5.746 2.751 183 HE1 HIS 22 1HE HIS 22 11.764 8.076 -0.368 184 HE2 HIS 22 2HE HIS 22 9.802 7.794 1.190 185 H ASP 23 H ASP 23 15.210 2.752 2.192 186 HA ASP 23 HA ASP 23 16.175 3.504 -0.337 187 HB2 ASP 23 2HB ASP 23 17.527 3.209 1.760 188 HB3 ASP 23 1HB ASP 23 17.380 1.470 1.546 189 H ARG 24 H ARG 24 15.446 0.266 0.988 190 HA ARG 24 HA ARG 24 16.137 -1.035 -1.480 191 HB2 ARG 24 2HB ARG 24 14.912 -1.988 1.093 192 HB3 ARG 24 1HB ARG 24 14.979 -3.040 -0.310 193 HG2 ARG 24 2HG ARG 24 16.825 -3.479 1.206 194 HG3 ARG 24 1HG ARG 24 17.415 -2.862 -0.337 195 HD2 ARG 24 2HD ARG 24 17.972 -0.795 0.570 196 HD3 ARG 24 1HD ARG 24 16.927 -1.018 1.970 197 HE ARG 24 HE ARG 24 19.053 -2.929 1.878 198 HH11 ARG 24 1HH1 ARG 24 18.318 0.390 2.729 199 HH12 ARG 24 2HH1 ARG 24 19.512 0.468 3.989 200 HH21 ARG 24 1HH2 ARG 24 20.624 -2.831 3.527 201 HH22 ARG 24 2HH2 ARG 24 20.815 -1.364 4.448 202 H LEU 25 H LEU 25 13.206 0.183 -0.054 203 HA LEU 25 HA LEU 25 11.349 -1.107 -1.737 204 HB2 LEU 25 2HB LEU 25 11.233 1.596 -0.394 205 HB3 LEU 25 1HB LEU 25 9.883 0.868 -1.245 206 HG LEU 25 HG LEU 25 11.204 -0.245 1.233 207 HD11 LEU 25 1HD1 LEU 25 9.106 0.312 2.331 208 HD12 LEU 25 2HD1 LEU 25 8.489 1.002 0.829 209 HD13 LEU 25 3HD1 LEU 25 9.858 1.755 1.649 210 HD21 LEU 25 3HD2 LEU 25 8.823 -1.237 -0.332 211 HD22 LEU 25 1HD2 LEU 25 9.384 -1.882 1.211 212 HD23 LEU 25 2HD2 LEU 25 10.398 -2.024 -0.225 213 H MET 26 H MET 26 13.163 1.907 -2.044 214 HA MET 26 HA MET 26 12.085 2.750 -4.490 215 HB2 MET 26 2HB MET 26 14.739 3.230 -3.161 216 HB3 MET 26 1HB MET 26 14.313 3.972 -4.699 217 HG2 MET 26 2HG MET 26 12.608 4.244 -2.246 218 HG3 MET 26 1HG MET 26 13.941 5.345 -2.607 219 HE1 MET 26 3HE MET 26 11.190 6.635 -2.169 220 HE2 MET 26 1HE MET 26 11.040 7.693 -3.570 221 HE3 MET 26 2HE MET 26 12.591 7.532 -2.751 222 H GLU 27 H GLU 27 14.794 0.600 -3.747 223 HA GLU 27 HA GLU 27 15.683 0.261 -6.403 224 HB2 GLU 27 2HB GLU 27 16.995 -0.406 -4.410 225 HB3 GLU 27 1HB GLU 27 15.844 -1.696 -4.100 226 HG2 GLU 27 2HG GLU 27 17.848 -2.549 -5.159 227 HG3 GLU 27 1HG GLU 27 16.445 -2.757 -6.206 228 H ILE 28 H ILE 28 13.432 -1.626 -4.414 229 HA ILE 28 HA ILE 28 12.693 -3.483 -6.407 230 HB ILE 28 HB ILE 28 11.050 -2.445 -4.085 231 HG12 ILE 28 2HG1 ILE 28 12.752 -4.938 -4.322 232 HG13 ILE 28 1HG1 ILE 28 13.211 -3.481 -3.447 233 HG21 ILE 28 1HG2 ILE 28 9.642 -3.505 -5.774 234 HG22 ILE 28 2HG2 ILE 28 9.736 -4.493 -4.319 235 HG23 ILE 28 3HG2 ILE 28 10.671 -4.936 -5.747 236 HD11 ILE 28 3HD1 ILE 28 12.390 -5.231 -1.958 237 HD12 ILE 28 1HD1 ILE 28 10.845 -5.227 -2.807 238 HD13 ILE 28 2HD1 ILE 28 11.362 -3.798 -1.911 239 H ALA 29 H ALA 29 11.580 -0.259 -5.632 240 HA ALA 29 HA ALA 29 9.231 -0.220 -7.179 241 HB1 ALA 29 1HB ALA 29 10.998 2.101 -6.411 242 HB2 ALA 29 2HB ALA 29 9.739 1.394 -5.397 243 HB3 ALA 29 3HB ALA 29 9.308 2.186 -6.912 244 H LYS 30 H LYS 30 12.577 0.196 -8.041 245 HA LYS 30 HA LYS 30 12.010 1.388 -10.601 246 HB2 LYS 30 2HB LYS 30 14.529 0.049 -9.589 247 HB3 LYS 30 1HB LYS 30 14.400 0.994 -11.069 248 HG2 LYS 30 2HG LYS 30 13.942 2.995 -9.807 249 HG3 LYS 30 1HG LYS 30 13.918 2.074 -8.299 250 HD2 LYS 30 2HD LYS 30 16.264 1.493 -8.599 251 HD3 LYS 30 1HD LYS 30 16.296 2.356 -10.137 252 HE2 LYS 30 2HE LYS 30 15.683 3.622 -7.472 253 HE3 LYS 30 1HE LYS 30 17.265 3.637 -8.248 254 HZ1 LYS 30 3HZ LYS 30 16.209 4.771 -10.157 255 HZ2 LYS 30 1HZ LYS 30 16.159 5.677 -8.722 256 HZ3 LYS 30 2HZ LYS 30 14.766 4.874 -9.271 257 H GLU 31 H GLU 31 13.025 -1.774 -9.439 258 HA GLU 31 HA GLU 31 13.105 -3.052 -11.939 259 HB2 GLU 31 2HB GLU 31 13.923 -3.704 -9.481 260 HB3 GLU 31 1HB GLU 31 12.416 -4.603 -9.496 261 HG2 GLU 31 2HG GLU 31 14.447 -4.887 -11.681 262 HG3 GLU 31 1HG GLU 31 14.548 -5.812 -10.188 263 H LYS 32 H LYS 32 10.531 -2.675 -9.542 264 HA LYS 32 HA LYS 32 8.717 -4.306 -11.150 265 HB2 LYS 32 2HB LYS 32 8.731 -3.328 -8.335 266 HB3 LYS 32 1HB LYS 32 7.177 -3.665 -9.084 267 HG2 LYS 32 2HG LYS 32 7.933 -5.581 -7.834 268 HG3 LYS 32 1HG LYS 32 7.904 -5.958 -9.554 269 HD2 LYS 32 2HD LYS 32 10.316 -5.638 -9.678 270 HD3 LYS 32 1HD LYS 32 10.357 -5.214 -7.964 271 HE2 LYS 32 2HE LYS 32 9.564 -7.436 -7.374 272 HE3 LYS 32 1HE LYS 32 9.426 -7.862 -9.078 273 HZ1 LYS 32 3HZ LYS 32 11.453 -8.746 -8.120 274 HZ2 LYS 32 1HZ LYS 32 11.949 -7.188 -7.661 275 HZ3 LYS 32 2HZ LYS 32 11.816 -7.585 -9.303 276 H ASN 33 H ASN 33 9.530 -1.077 -10.851 277 HA ASN 33 HA ASN 33 8.664 0.870 -11.622 278 HB2 ASN 33 2HB ASN 33 6.947 -1.049 -13.189 279 HB3 ASN 33 1HB ASN 33 6.842 0.696 -13.391 280 HD21 ASN 33 1HD2 ASN 33 9.651 1.201 -13.031 281 HD22 ASN 33 2HD2 ASN 33 10.453 0.603 -14.440 282 H LEU 34 H LEU 34 7.740 -0.057 -9.154 283 HA LEU 34 HA LEU 34 4.947 0.878 -9.072 284 HB2 LEU 34 2HB LEU 34 6.526 -0.791 -7.108 285 HB3 LEU 34 1HB LEU 34 4.895 -0.211 -6.823 286 HG LEU 34 HG LEU 34 5.669 -2.078 -9.067 287 HD11 LEU 34 1HD1 LEU 34 4.611 -3.828 -7.739 288 HD12 LEU 34 2HD1 LEU 34 4.348 -2.681 -6.423 289 HD13 LEU 34 3HD1 LEU 34 5.990 -3.134 -6.886 290 HD21 LEU 34 3HD2 LEU 34 3.254 -2.423 -9.262 291 HD22 LEU 34 1HD2 LEU 34 3.684 -0.733 -9.528 292 HD23 LEU 34 2HD2 LEU 34 2.980 -1.232 -7.990 293 H THR 35 H THR 35 4.403 2.200 -7.109 294 HA THR 35 HA THR 35 6.724 3.803 -6.284 295 HB THR 35 HB THR 35 5.174 5.548 -5.596 296 HG1 THR 35 1HG THR 35 3.093 3.830 -6.570 297 HG21 THR 35 3HG2 THR 35 5.915 5.580 -7.912 298 HG22 THR 35 1HG2 THR 35 4.255 6.167 -7.793 299 HG23 THR 35 2HG2 THR 35 4.575 4.533 -8.376 300 H LEU 36 H LEU 36 6.776 4.458 -3.970 301 HA LEU 36 HA LEU 36 6.573 2.216 -2.287 302 HB2 LEU 36 2HB LEU 36 6.670 5.088 -1.385 303 HB3 LEU 36 1HB LEU 36 7.211 3.675 -0.500 304 HG LEU 36 HG LEU 36 8.493 4.932 -2.916 305 HD11 LEU 36 1HD1 LEU 36 10.410 5.140 -1.444 306 HD12 LEU 36 2HD1 LEU 36 9.510 4.361 -0.143 307 HD13 LEU 36 3HD1 LEU 36 8.997 5.934 -0.749 308 HD21 LEU 36 3HD2 LEU 36 9.117 2.281 -1.621 309 HD22 LEU 36 1HD2 LEU 36 10.161 3.112 -2.776 310 HD23 LEU 36 2HD2 LEU 36 8.566 2.552 -3.274 311 H SER 37 H SER 37 4.405 4.884 -2.909 312 HA SER 37 HA SER 37 2.485 4.480 -0.949 313 HB2 SER 37 2HB SER 37 1.841 5.163 -3.817 314 HB3 SER 37 1HB SER 37 1.050 5.738 -2.348 315 HG SER 37 HG SER 37 2.450 7.296 -2.255 316 H ASP 38 H ASP 38 2.832 2.981 -4.151 317 HA ASP 38 HA ASP 38 0.537 1.346 -4.008 318 HB2 ASP 38 2HB ASP 38 3.094 0.943 -5.582 319 HB3 ASP 38 1HB ASP 38 1.633 -0.013 -5.796 320 H VAL 39 H VAL 39 3.901 0.825 -3.074 321 HA VAL 39 HA VAL 39 3.742 -1.946 -2.696 322 HB VAL 39 HB VAL 39 5.589 0.020 -1.325 323 HG11 VAL 39 1HG1 VAL 39 5.521 -2.142 -0.172 324 HG12 VAL 39 2HG1 VAL 39 7.074 -1.889 -0.973 325 HG13 VAL 39 3HG1 VAL 39 5.874 -2.964 -1.692 326 HG21 VAL 39 3HG2 VAL 39 5.719 0.135 -3.767 327 HG22 VAL 39 1HG2 VAL 39 5.982 -1.608 -3.838 328 HG23 VAL 39 2HG2 VAL 39 7.184 -0.564 -3.078 329 H CYS 40 H CYS 40 3.330 0.703 -0.340 330 HA CYS 40 HA CYS 40 3.039 -1.037 1.889 331 HB2 CYS 40 2HB CYS 40 3.501 1.609 1.656 332 HB3 CYS 40 1HB CYS 40 1.769 1.670 1.955 333 HG CYS 40 HG CYS 40 2.752 -0.294 4.223 334 H ARG 41 H ARG 41 0.577 0.864 0.130 335 HA ARG 41 HA ARG 41 -1.742 -0.213 0.998 336 HB2 ARG 41 2HB ARG 41 -1.725 1.538 -0.631 337 HB3 ARG 41 1HB ARG 41 -0.867 0.538 -1.791 338 HG2 ARG 41 2HG ARG 41 -3.386 -0.645 -1.016 339 HG3 ARG 41 1HG ARG 41 -3.590 0.983 -1.672 340 HD2 ARG 41 2HD ARG 41 -2.116 -1.302 -2.985 341 HD3 ARG 41 1HD ARG 41 -3.711 -0.705 -3.444 342 HE ARG 41 HE ARG 41 -1.187 0.382 -4.202 343 HH11 ARG 41 1HH1 ARG 41 -4.492 1.296 -3.470 344 HH12 ARG 41 2HH1 ARG 41 -4.456 2.709 -4.484 345 HH21 ARG 41 1HH2 ARG 41 -1.145 2.250 -5.548 346 HH22 ARG 41 2HH2 ARG 41 -2.564 3.258 -5.640 347 H LEU 42 H LEU 42 0.211 -1.623 -1.656 348 HA LEU 42 HA LEU 42 -1.452 -3.890 -2.004 349 HB2 LEU 42 2HB LEU 42 1.462 -3.513 -2.709 350 HB3 LEU 42 1HB LEU 42 0.468 -4.850 -3.253 351 HG LEU 42 HG LEU 42 -0.023 -1.947 -3.920 352 HD11 LEU 42 1HD1 LEU 42 0.723 -2.583 -6.179 353 HD12 LEU 42 2HD1 LEU 42 1.159 -4.181 -5.573 354 HD13 LEU 42 3HD1 LEU 42 2.006 -2.752 -4.979 355 HD21 LEU 42 3HD2 LEU 42 -2.070 -3.264 -3.888 356 HD22 LEU 42 1HD2 LEU 42 -1.326 -4.479 -4.930 357 HD23 LEU 42 2HD2 LEU 42 -1.626 -2.853 -5.545 358 H ALA 43 H ALA 43 0.998 -3.112 0.261 359 HA ALA 43 HA ALA 43 1.681 -5.746 1.030 360 HB1 ALA 43 1HB ALA 43 3.126 -3.832 1.489 361 HB2 ALA 43 2HB ALA 43 2.736 -4.730 2.957 362 HB3 ALA 43 3HB ALA 43 1.919 -3.206 2.613 363 H ILE 44 H ILE 44 -0.784 -3.443 2.041 364 HA ILE 44 HA ILE 44 -1.681 -4.935 4.288 365 HB ILE 44 HB ILE 44 -3.192 -2.912 2.617 366 HG12 ILE 44 2HG1 ILE 44 -1.581 -2.714 5.161 367 HG13 ILE 44 1HG1 ILE 44 -1.332 -1.843 3.651 368 HG21 ILE 44 1HG2 ILE 44 -3.868 -4.058 5.324 369 HG22 ILE 44 2HG2 ILE 44 -4.718 -4.397 3.818 370 HG23 ILE 44 3HG2 ILE 44 -4.747 -2.771 4.498 371 HD11 ILE 44 3HD1 ILE 44 -3.426 -0.618 4.033 372 HD12 ILE 44 1HD1 ILE 44 -2.256 -0.371 5.328 373 HD13 ILE 44 2HD1 ILE 44 -3.624 -1.459 5.569 374 H LYS 45 H LYS 45 -2.454 -4.890 0.867 375 HA LYS 45 HA LYS 45 -4.598 -6.664 0.864 376 HB2 LYS 45 2HB LYS 45 -3.842 -5.471 -1.145 377 HB3 LYS 45 1HB LYS 45 -2.367 -6.427 -1.164 378 HG2 LYS 45 2HG LYS 45 -3.860 -7.309 -2.799 379 HG3 LYS 45 1HG LYS 45 -3.758 -8.460 -1.466 380 HD2 LYS 45 2HD LYS 45 -5.861 -7.463 -0.552 381 HD3 LYS 45 1HD LYS 45 -5.985 -6.509 -2.032 382 HE2 LYS 45 2HE LYS 45 -5.987 -9.516 -1.817 383 HE3 LYS 45 1HE LYS 45 -7.364 -8.490 -2.210 384 HZ1 LYS 45 3HZ LYS 45 -4.924 -8.914 -3.852 385 HZ2 LYS 45 1HZ LYS 45 -6.122 -7.763 -4.207 386 HZ3 LYS 45 2HZ LYS 45 -6.506 -9.413 -4.214 387 H GLU 46 H GLU 46 -1.116 -7.298 0.904 388 HA GLU 46 HA GLU 46 -1.324 -10.140 0.826 389 HB2 GLU 46 2HB GLU 46 0.926 -8.462 1.959 390 HB3 GLU 46 1HB GLU 46 1.025 -10.137 1.435 391 HG2 GLU 46 2HG GLU 46 0.423 -7.814 -0.378 392 HG3 GLU 46 1HG GLU 46 2.020 -8.525 -0.147 393 H TYR 47 H TYR 47 -1.202 -7.700 3.314 394 HA TYR 47 HA TYR 47 -0.781 -9.356 5.533 395 HB2 TYR 47 2HB TYR 47 -0.534 -6.864 5.504 396 HB3 TYR 47 1HB TYR 47 -2.288 -6.733 5.464 397 HD1 TYR 47 2HD TYR 47 -3.619 -7.229 7.458 398 HD2 TYR 47 1HD TYR 47 0.622 -7.532 7.515 399 HE1 TYR 47 2HE TYR 47 -3.665 -7.300 9.917 400 HE2 TYR 47 1HE TYR 47 0.593 -7.604 9.972 401 HH TYR 47 HH TYR 47 -0.798 -6.998 11.821 402 H LEU 48 H LEU 48 -3.751 -8.116 4.067 403 HA LEU 48 HA LEU 48 -5.531 -9.246 5.931 404 HB2 LEU 48 2HB LEU 48 -6.034 -8.599 3.026 405 HB3 LEU 48 1HB LEU 48 -7.265 -8.858 4.246 406 HG LEU 48 HG LEU 48 -5.285 -6.577 4.204 407 HD11 LEU 48 1HD1 LEU 48 -6.986 -6.405 2.460 408 HD12 LEU 48 2HD1 LEU 48 -7.227 -5.191 3.715 409 HD13 LEU 48 3HD1 LEU 48 -8.251 -6.625 3.669 410 HD21 LEU 48 3HD2 LEU 48 -6.619 -5.684 6.057 411 HD22 LEU 48 1HD2 LEU 48 -5.865 -7.222 6.476 412 HD23 LEU 48 2HD2 LEU 48 -7.581 -7.163 6.071 413 H ASP 49 H ASP 49 -4.368 -10.402 2.806 414 HA ASP 49 HA ASP 49 -5.976 -12.694 2.683 415 HB2 ASP 49 2HB ASP 49 -4.823 -11.798 0.736 416 HB3 ASP 49 1HB ASP 49 -3.263 -12.187 1.455 417 H ASN 50 H ASN 50 -2.758 -12.191 4.061 418 HA ASN 50 HA ASN 50 -2.369 -15.007 4.512 419 HB2 ASN 50 2HB ASN 50 -0.756 -12.553 5.116 420 HB3 ASN 50 1HB ASN 50 -0.326 -14.098 5.845 421 HD21 ASN 50 1HD2 ASN 50 -0.512 -12.266 2.906 422 HD22 ASN 50 2HD2 ASN 50 0.398 -13.369 1.928 423 H HIS 51 H HIS 51 -3.553 -12.318 6.391 424 HA HIS 51 HA HIS 51 -3.481 -13.946 8.823 425 HB2 HIS 51 2HB HIS 51 -4.124 -11.035 8.356 426 HB3 HIS 51 1HB HIS 51 -4.417 -11.828 9.899 427 HD1 HIS 51 1HD HIS 51 -2.487 -11.930 11.489 428 HD2 HIS 51 2HD HIS 51 -1.302 -11.036 7.601 429 HE1 HIS 51 1HE HIS 51 -0.041 -11.372 11.639 430 HE2 HIS 51 2HE HIS 51 0.704 -11.041 9.248 431 H ASP 52 H ASP 52 -5.454 -13.545 6.251 432 HA ASP 52 HA ASP 52 -7.585 -14.011 5.726 433 HB2 ASP 52 2HB ASP 52 -7.179 -16.093 6.862 434 HB3 ASP 52 1HB ASP 52 -7.559 -15.363 8.419 435 H LYS 53 H LYS 53 -8.069 -13.602 9.201 436 HA LYS 53 HA LYS 53 -9.133 -11.025 9.186 437 HB2 LYS 53 2HB LYS 53 -10.905 -12.171 7.778 438 HB3 LYS 53 1HB LYS 53 -11.304 -13.138 9.192 439 HG2 LYS 53 2HG LYS 53 -11.935 -11.148 10.417 440 HG3 LYS 53 1HG LYS 53 -11.450 -10.129 9.059 441 HD2 LYS 53 2HD LYS 53 -13.161 -11.258 7.665 442 HD3 LYS 53 1HD LYS 53 -13.679 -12.163 9.087 443 HE2 LYS 53 2HE LYS 53 -14.246 -10.077 10.218 444 HE3 LYS 53 1HE LYS 53 -13.702 -9.158 8.816 445 HZ1 LYS 53 3HZ LYS 53 -15.427 -10.309 7.503 446 HZ2 LYS 53 1HZ LYS 53 -16.074 -9.360 8.753 447 HZ3 LYS 53 2HZ LYS 53 -15.990 -11.048 8.918 448 H GLN 54 H GLN 54 -8.987 -14.231 10.482 449 HA GLN 54 HA GLN 54 -8.647 -13.113 13.144 450 HB2 GLN 54 2HB GLN 54 -10.099 -14.895 14.131 451 HB3 GLN 54 1HB GLN 54 -10.982 -13.687 13.206 452 HG2 GLN 54 2HG GLN 54 -11.264 -15.184 11.378 453 HG3 GLN 54 1HG GLN 54 -10.152 -16.351 12.090 454 HE21 GLN 54 1HE2 GLN 54 -12.969 -16.609 11.264 455 HE22 GLN 54 2HE2 GLN 54 -13.808 -17.174 12.664 456 H LYS 55 H LYS 55 -7.203 -14.231 14.366 457 HA LYS 55 HA LYS 55 -5.789 -16.425 13.034 458 HB2 LYS 55 2HB LYS 55 -3.961 -15.940 14.612 459 HB3 LYS 55 1HB LYS 55 -4.425 -14.503 13.714 460 HG2 LYS 55 2HG LYS 55 -5.628 -13.640 15.600 461 HG3 LYS 55 1HG LYS 55 -5.366 -15.134 16.502 462 HD2 LYS 55 2HD LYS 55 -2.946 -14.722 16.453 463 HD3 LYS 55 1HD LYS 55 -3.225 -13.217 15.576 464 HE2 LYS 55 2HE LYS 55 -2.873 -12.771 17.935 465 HE3 LYS 55 1HE LYS 55 -4.523 -12.362 17.472 466 HZ1 LYS 55 3HZ LYS 55 -3.696 -14.869 18.841 467 HZ2 LYS 55 1HZ LYS 55 -5.284 -14.438 18.432 468 HZ3 LYS 55 2HZ LYS 55 -4.433 -13.541 19.590 469 H LYS 56 H LYS 56 -8.313 -16.899 14.282 470 HA LYS 56 HA LYS 56 -9.399 -18.250 15.736 471 HB2 LYS 56 2HB LYS 56 -7.765 -19.990 15.307 472 HB3 LYS 56 1HB LYS 56 -6.623 -19.241 16.417 473 HG2 LYS 56 2HG LYS 56 -8.577 -19.562 18.138 474 HG3 LYS 56 1HG LYS 56 -9.077 -20.809 16.994 475 HD2 LYS 56 2HD LYS 56 -7.049 -21.997 17.263 476 HD3 LYS 56 1HD LYS 56 -6.285 -20.642 18.098 477 HE2 LYS 56 2HE LYS 56 -8.532 -22.374 19.118 478 HE3 LYS 56 1HE LYS 56 -6.875 -22.314 19.718 479 HZ1 LYS 56 3HZ LYS 56 -8.241 -21.049 21.181 480 HZ2 LYS 56 1HZ LYS 56 -8.917 -20.167 19.900 481 HZ3 LYS 56 2HZ LYS 56 -7.290 -19.948 20.309 482 H1 GLY 2 1HT GLY 2 16.553 5.321 19.384 483 H2 GLY 2 2HT GLY 2 14.977 5.036 18.835 484 H3 GLY 2 3HT GLY 2 15.464 6.608 19.240 485 HA2 GLY 2 1HA GLY 2 16.520 4.984 16.990 486 HA3 GLY 2 2HA GLY 2 15.391 6.325 16.845 487 H ARG 3 H ARG 3 17.789 6.326 15.464 488 HA ARG 3 HA ARG 3 18.999 8.711 16.577 489 HB2 ARG 3 2HB ARG 3 20.367 6.946 17.569 490 HB3 ARG 3 1HB ARG 3 20.636 6.239 15.982 491 HG2 ARG 3 2HG ARG 3 22.573 7.511 16.755 492 HG3 ARG 3 1HG ARG 3 21.883 8.201 15.285 493 HD2 ARG 3 2HD ARG 3 22.522 9.902 16.974 494 HD3 ARG 3 1HD ARG 3 20.811 9.951 16.545 495 HE ARG 3 HE ARG 3 20.828 8.356 18.720 496 HH11 ARG 3 1HH1 ARG 3 22.178 11.563 18.145 497 HH12 ARG 3 2HH1 ARG 3 22.023 12.037 19.813 498 HH21 ARG 3 1HH2 ARG 3 20.626 8.994 20.855 499 HH22 ARG 3 2HH2 ARG 3 21.163 10.568 21.358 500 HA PRO 4 HA PRO 4 18.856 9.340 12.112 501 HB2 PRO 4 2HB PRO 4 19.214 12.027 12.265 502 HB3 PRO 4 1HB PRO 4 17.641 11.254 12.498 503 HG2 PRO 4 2HG PRO 4 19.578 12.263 14.540 504 HG3 PRO 4 1HG PRO 4 17.810 12.393 14.512 505 HD2 PRO 4 2HD PRO 4 19.145 10.557 16.011 506 HD3 PRO 4 1HD PRO 4 17.519 10.281 15.357 507 H TYR 5 H TYR 5 20.752 8.505 11.346 508 HA TYR 5 HA TYR 5 23.300 9.409 12.327 509 HB2 TYR 5 2HB TYR 5 22.696 7.649 9.939 510 HB3 TYR 5 1HB TYR 5 24.255 7.828 10.733 511 HD1 TYR 5 1HD TYR 5 24.523 6.956 13.090 512 HD2 TYR 5 2HD TYR 5 21.103 6.094 10.708 513 HE1 TYR 5 1HE TYR 5 23.992 5.050 14.552 514 HE2 TYR 5 2HE TYR 5 20.561 4.187 12.163 515 HH TYR 5 HH TYR 5 22.101 3.671 15.189 516 H LYS 6 H LYS 6 21.845 9.366 9.082 517 HA LYS 6 HA LYS 6 23.437 11.695 8.325 518 HB2 LYS 6 2HB LYS 6 22.545 11.246 6.055 519 HB3 LYS 6 1HB LYS 6 23.390 9.864 6.736 520 HG2 LYS 6 2HG LYS 6 21.199 8.902 7.377 521 HG3 LYS 6 1HG LYS 6 20.412 10.247 6.552 522 HD2 LYS 6 2HD LYS 6 22.280 8.254 5.260 523 HD3 LYS 6 1HD LYS 6 20.520 8.210 5.158 524 HE2 LYS 6 2HE LYS 6 20.551 10.408 4.058 525 HE3 LYS 6 1HE LYS 6 22.311 10.413 4.139 526 HZ1 LYS 6 3HZ LYS 6 20.612 8.510 2.611 527 HZ2 LYS 6 1HZ LYS 6 22.293 8.363 2.780 528 HZ3 LYS 6 2HZ LYS 6 21.638 9.699 1.972 529 H LEU 7 H LEU 7 21.339 11.881 10.263 530 HA LEU 7 HA LEU 7 19.614 13.181 10.915 531 HB2 LEU 7 2HB LEU 7 19.977 14.481 8.222 532 HB3 LEU 7 1HB LEU 7 18.867 15.056 9.451 533 HG LEU 7 HG LEU 7 21.873 14.922 9.700 534 HD11 LEU 7 1HD1 LEU 7 19.988 17.259 9.414 535 HD12 LEU 7 2HD1 LEU 7 21.148 16.691 8.213 536 HD13 LEU 7 3HD1 LEU 7 21.718 17.375 9.735 537 HD21 LEU 7 3HD2 LEU 7 21.520 16.130 11.823 538 HD22 LEU 7 1HD2 LEU 7 20.833 14.505 11.844 539 HD23 LEU 7 2HD2 LEU 7 19.780 15.903 11.638 540 H LEU 8 H LEU 8 19.286 12.027 7.594 541 HA LEU 8 HA LEU 8 16.424 11.657 7.933 542 HB2 LEU 8 2HB LEU 8 18.238 10.931 5.624 543 HB3 LEU 8 1HB LEU 8 16.486 10.866 5.608 544 HG LEU 8 HG LEU 8 18.136 13.376 5.903 545 HD11 LEU 8 1HD1 LEU 8 17.334 13.904 3.657 546 HD12 LEU 8 2HD1 LEU 8 16.539 12.332 3.570 547 HD13 LEU 8 3HD1 LEU 8 18.297 12.426 3.669 548 HD21 LEU 8 3HD2 LEU 8 15.158 13.002 5.611 549 HD22 LEU 8 1HD2 LEU 8 16.007 14.548 5.622 550 HD23 LEU 8 2HD2 LEU 8 15.998 13.535 7.066 551 H ASN 9 H ASN 9 16.718 10.149 9.741 552 HA ASN 9 HA ASN 9 17.778 7.517 9.119 553 HB2 ASN 9 2HB ASN 9 17.229 6.925 11.389 554 HB3 ASN 9 1HB ASN 9 17.958 8.527 11.415 555 HD21 ASN 9 1HD2 ASN 9 15.073 6.682 11.920 556 HD22 ASN 9 2HD2 ASN 9 14.132 7.952 12.630 557 H GLY 10 H GLY 10 15.031 9.152 8.438 558 HA2 GLY 10 2HA GLY 10 13.598 6.762 7.694 559 HA3 GLY 10 1HA GLY 10 12.816 7.729 8.943 560 H ILE 11 H ILE 11 12.088 7.170 6.094 561 HA ILE 11 HA ILE 11 12.191 9.927 5.035 562 HB ILE 11 HB ILE 11 12.012 7.540 3.225 563 HG12 ILE 11 2HG1 ILE 11 13.994 7.157 4.667 564 HG13 ILE 11 1HG1 ILE 11 14.424 7.442 2.985 565 HG21 ILE 11 1HG2 ILE 11 13.060 10.344 2.911 566 HG22 ILE 11 2HG2 ILE 11 11.600 9.656 2.195 567 HG23 ILE 11 3HG2 ILE 11 13.187 9.097 1.675 568 HD11 ILE 11 3HD1 ILE 11 15.938 8.576 4.523 569 HD12 ILE 11 1HD1 ILE 11 14.578 9.477 5.196 570 HD13 ILE 11 2HD1 ILE 11 15.053 9.726 3.516 571 H LYS 12 H LYS 12 10.373 10.343 3.434 572 HA LYS 12 HA LYS 12 7.919 9.374 4.708 573 HB2 LYS 12 2HB LYS 12 8.457 11.838 4.582 574 HB3 LYS 12 1HB LYS 12 8.280 11.722 2.841 575 HG2 LYS 12 2HG LYS 12 6.241 12.570 3.597 576 HG3 LYS 12 1HG LYS 12 5.929 10.861 3.290 577 HD2 LYS 12 2HD LYS 12 6.153 10.370 5.657 578 HD3 LYS 12 1HD LYS 12 6.556 12.057 5.987 579 HE2 LYS 12 2HE LYS 12 4.313 12.665 5.018 580 HE3 LYS 12 1HE LYS 12 3.935 10.945 5.004 581 HZ1 LYS 12 3HZ LYS 12 4.652 12.521 7.418 582 HZ2 LYS 12 1HZ LYS 12 4.224 10.882 7.393 583 HZ3 LYS 12 2HZ LYS 12 3.079 12.059 6.983 584 H LEU 13 H LEU 13 6.276 8.464 3.602 585 HA LEU 13 HA LEU 13 6.371 8.336 0.694 586 HB2 LEU 13 2HB LEU 13 5.752 5.910 0.780 587 HB3 LEU 13 1HB LEU 13 7.397 6.274 1.253 588 HG LEU 13 HG LEU 13 5.259 5.903 3.330 589 HD11 LEU 13 1HD1 LEU 13 6.951 3.736 2.088 590 HD12 LEU 13 2HD1 LEU 13 5.213 3.930 1.866 591 HD13 LEU 13 3HD1 LEU 13 5.862 3.549 3.461 592 HD21 LEU 13 3HD2 LEU 13 7.394 6.853 4.058 593 HD22 LEU 13 1HD2 LEU 13 8.251 5.495 3.328 594 HD23 LEU 13 2HD2 LEU 13 7.181 5.222 4.702 595 H GLY 14 H GLY 14 4.478 9.004 -0.066 596 HA2 GLY 14 2HA GLY 14 2.176 8.943 1.761 597 HA3 GLY 14 1HA GLY 14 2.364 10.030 0.393 598 H VAL 15 H VAL 15 0.682 7.458 1.469 599 HA VAL 15 HA VAL 15 0.514 6.128 -1.148 600 HB VAL 15 HB VAL 15 -0.389 5.108 1.564 601 HG11 VAL 15 1HG1 VAL 15 -0.592 2.946 0.454 602 HG12 VAL 15 2HG1 VAL 15 -0.182 3.696 -1.088 603 HG13 VAL 15 3HG1 VAL 15 -1.674 4.144 -0.257 604 HG21 VAL 15 3HG2 VAL 15 2.065 4.437 -0.046 605 HG22 VAL 15 1HG2 VAL 15 1.538 3.592 1.409 606 HG23 VAL 15 2HG2 VAL 15 2.017 5.287 1.499 607 H TYR 16 H TYR 16 -1.500 5.798 -2.131 608 HA TYR 16 HA TYR 16 -3.808 7.135 -0.883 609 HB2 TYR 16 2HB TYR 16 -3.043 6.706 -3.727 610 HB3 TYR 16 1HB TYR 16 -4.755 6.625 -3.322 611 HD1 TYR 16 1HD TYR 16 -5.769 8.582 -2.082 612 HD2 TYR 16 2HD TYR 16 -2.012 8.789 -4.061 613 HE1 TYR 16 1HE TYR 16 -5.961 11.018 -2.152 614 HE2 TYR 16 2HE TYR 16 -2.192 11.240 -4.143 615 HH TYR 16 HH TYR 16 -4.603 12.976 -2.390 616 H ILE 17 H ILE 17 -5.435 5.915 -0.179 617 HA ILE 17 HA ILE 17 -5.768 3.244 -1.315 618 HB ILE 17 HB ILE 17 -6.063 2.165 0.824 619 HG12 ILE 17 2HG1 ILE 17 -5.302 4.807 2.086 620 HG13 ILE 17 1HG1 ILE 17 -6.910 4.090 2.106 621 HG21 ILE 17 1HG2 ILE 17 -3.828 2.177 -0.116 622 HG22 ILE 17 2HG2 ILE 17 -3.758 2.223 1.645 623 HG23 ILE 17 3HG2 ILE 17 -3.466 3.691 0.714 624 HD11 ILE 17 3HD1 ILE 17 -5.755 3.724 4.209 625 HD12 ILE 17 1HD1 ILE 17 -4.441 2.910 3.359 626 HD13 ILE 17 2HD1 ILE 17 -6.052 2.195 3.377 627 HA PRO 18 HA PRO 18 -9.939 4.267 -1.714 628 HB2 PRO 18 2HB PRO 18 -10.637 1.494 -0.975 629 HB3 PRO 18 1HB PRO 18 -10.912 2.365 -2.486 630 HG2 PRO 18 2HG PRO 18 -9.056 0.456 -2.323 631 HG3 PRO 18 1HG PRO 18 -8.785 1.920 -3.287 632 HD2 PRO 18 2HD PRO 18 -7.754 1.230 -0.560 633 HD3 PRO 18 1HD PRO 18 -6.912 1.998 -1.926 634 H GLN 19 H GLN 19 -12.109 4.138 -0.764 635 HA GLN 19 HA GLN 19 -12.098 4.945 1.950 636 HB2 GLN 19 2HB GLN 19 -13.709 5.840 0.361 637 HB3 GLN 19 1HB GLN 19 -14.381 4.237 0.099 638 HG2 GLN 19 2HG GLN 19 -15.825 5.543 1.523 639 HG3 GLN 19 1HG GLN 19 -15.147 4.181 2.416 640 HE21 GLN 19 1HE2 GLN 19 -13.696 4.560 4.066 641 HE22 GLN 19 2HE2 GLN 19 -13.447 6.136 4.745 642 H GLU 20 H GLU 20 -13.049 1.964 0.311 643 HA GLU 20 HA GLU 20 -14.195 0.578 2.432 644 HB2 GLU 20 2HB GLU 20 -12.447 -0.534 0.230 645 HB3 GLU 20 1HB GLU 20 -13.532 -1.476 1.244 646 HG2 GLU 20 2HG GLU 20 -14.275 0.615 -0.783 647 HG3 GLU 20 1HG GLU 20 -14.593 -1.117 -0.855 648 H TRP 21 H TRP 21 -10.881 1.299 1.759 649 HA TRP 21 HA TRP 21 -9.758 -0.576 3.613 650 HB2 TRP 21 2HB TRP 21 -8.751 1.719 1.985 651 HB3 TRP 21 1HB TRP 21 -7.768 1.131 3.319 652 HD1 TRP 21 HD TRP 21 -9.721 -1.090 0.788 653 HE1 TRP 21 1HE TRP 21 -7.982 -2.568 -0.420 654 HE3 TRP 21 3HE TRP 21 -5.492 0.845 2.836 655 HZ2 TRP 21 2HZ TRP 21 -5.145 -2.844 -0.484 656 HZ3 TRP 21 3HZ TRP 21 -3.314 -0.044 2.156 657 HH2 TRP 21 HH TRP 21 -3.131 -1.827 0.536 658 H HIS 22 H HIS 22 -10.324 2.935 3.576 659 HA HIS 22 HA HIS 22 -9.283 3.476 6.120 660 HB2 HIS 22 2HB HIS 22 -11.315 4.888 4.414 661 HB3 HIS 22 1HB HIS 22 -10.933 5.470 6.034 662 HD1 HIS 22 1HD HIS 22 -8.995 6.999 6.220 663 HD2 HIS 22 2HD HIS 22 -8.910 4.788 2.691 664 HE1 HIS 22 1HE HIS 22 -7.048 7.890 4.905 665 HE2 HIS 22 2HE HIS 22 -7.103 6.639 2.719 666 H ASP 23 H ASP 23 -12.450 2.379 5.108 667 HA ASP 23 HA ASP 23 -13.811 2.722 7.538 668 HB2 ASP 23 2HB ASP 23 -14.905 2.273 5.371 669 HB3 ASP 23 1HB ASP 23 -14.250 0.641 5.383 670 H ARG 24 H ARG 24 -12.464 -0.333 6.205 671 HA ARG 24 HA ARG 24 -12.950 -1.648 8.709 672 HB2 ARG 24 2HB ARG 24 -11.991 -2.477 6.043 673 HB3 ARG 24 1HB ARG 24 -11.420 -3.444 7.396 674 HG2 ARG 24 2HG ARG 24 -13.371 -4.501 6.647 675 HG3 ARG 24 1HG ARG 24 -13.845 -3.631 8.107 676 HD2 ARG 24 2HD ARG 24 -15.567 -3.121 6.655 677 HD3 ARG 24 1HD ARG 24 -14.488 -1.740 6.450 678 HE ARG 24 HE ARG 24 -13.996 -3.884 4.593 679 HH11 ARG 24 1HH1 ARG 24 -15.901 -0.988 5.172 680 HH12 ARG 24 2HH1 ARG 24 -16.225 -0.734 3.479 681 HH21 ARG 24 1HH2 ARG 24 -14.467 -3.561 2.394 682 HH22 ARG 24 2HH2 ARG 24 -15.422 -2.184 1.906 683 H LEU 25 H LEU 25 -10.048 -0.398 7.096 684 HA LEU 25 HA LEU 25 -8.219 -1.609 8.884 685 HB2 LEU 25 2HB LEU 25 -7.947 0.827 7.132 686 HB3 LEU 25 1HB LEU 25 -6.630 0.172 8.084 687 HG LEU 25 HG LEU 25 -8.064 -1.256 5.844 688 HD11 LEU 25 1HD1 LEU 25 -6.619 0.548 5.079 689 HD12 LEU 25 2HD1 LEU 25 -5.928 -1.023 4.676 690 HD13 LEU 25 3HD1 LEU 25 -5.289 -0.099 6.035 691 HD21 LEU 25 3HD2 LEU 25 -6.365 -2.987 6.135 692 HD22 LEU 25 1HD2 LEU 25 -7.327 -2.802 7.600 693 HD23 LEU 25 2HD2 LEU 25 -5.704 -2.118 7.519 694 H MET 26 H MET 26 -9.871 1.530 8.924 695 HA MET 26 HA MET 26 -8.471 2.533 11.155 696 HB2 MET 26 2HB MET 26 -10.810 3.315 9.611 697 HB3 MET 26 1HB MET 26 -10.923 3.761 11.310 698 HG2 MET 26 2HG MET 26 -8.647 4.450 9.464 699 HG3 MET 26 1HG MET 26 -9.964 5.534 9.915 700 HE1 MET 26 3HE MET 26 -8.224 7.370 10.689 701 HE2 MET 26 1HE MET 26 -6.880 6.318 10.250 702 HE3 MET 26 2HE MET 26 -6.925 7.070 11.842 703 H GLU 27 H GLU 27 -11.375 0.493 10.941 704 HA GLU 27 HA GLU 27 -11.940 0.574 13.707 705 HB2 GLU 27 2HB GLU 27 -13.501 -0.440 12.096 706 HB3 GLU 27 1HB GLU 27 -12.355 -1.745 11.803 707 HG2 GLU 27 2HG GLU 27 -12.504 -2.238 14.284 708 HG3 GLU 27 1HG GLU 27 -13.881 -1.141 14.319 709 H ILE 28 H ILE 28 -9.812 -1.499 11.797 710 HA ILE 28 HA ILE 28 -8.921 -3.147 13.910 711 HB ILE 28 HB ILE 28 -7.485 -2.366 11.362 712 HG12 ILE 28 2HG1 ILE 28 -9.175 -4.803 11.982 713 HG13 ILE 28 1HG1 ILE 28 -9.690 -3.436 10.999 714 HG21 ILE 28 1HG2 ILE 28 -6.973 -4.672 13.241 715 HG22 ILE 28 2HG2 ILE 28 -5.938 -3.260 13.014 716 HG23 ILE 28 3HG2 ILE 28 -6.168 -4.408 11.693 717 HD11 ILE 28 3HD1 ILE 28 -7.946 -3.937 9.378 718 HD12 ILE 28 1HD1 ILE 28 -9.008 -5.323 9.626 719 HD13 ILE 28 2HD1 ILE 28 -7.409 -5.292 10.368 720 H ALA 29 H ALA 29 -7.906 -0.057 12.655 721 HA ALA 29 HA ALA 29 -5.427 0.205 13.924 722 HB1 ALA 29 1HB ALA 29 -7.389 2.362 13.145 723 HB2 ALA 29 2HB ALA 29 -6.174 1.640 12.091 724 HB3 ALA 29 3HB ALA 29 -5.674 2.595 13.487 725 H LYS 30 H LYS 30 -8.690 0.972 15.038 726 HA LYS 30 HA LYS 30 -7.721 2.291 17.404 727 HB2 LYS 30 2HB LYS 30 -10.514 1.361 16.719 728 HB3 LYS 30 1HB LYS 30 -10.080 2.491 18.001 729 HG2 LYS 30 2HG LYS 30 -9.343 4.120 16.406 730 HG3 LYS 30 1HG LYS 30 -9.567 2.980 15.077 731 HD2 LYS 30 2HD LYS 30 -11.975 2.939 15.531 732 HD3 LYS 30 1HD LYS 30 -11.742 4.084 16.854 733 HE2 LYS 30 2HE LYS 30 -11.084 4.604 13.957 734 HE3 LYS 30 1HE LYS 30 -12.524 5.177 14.793 735 HZ1 LYS 30 3HZ LYS 30 -11.096 6.428 16.296 736 HZ2 LYS 30 1HZ LYS 30 -10.847 6.903 14.690 737 HZ3 LYS 30 2HZ LYS 30 -9.718 5.902 15.465 738 H GLU 31 H GLU 31 -9.091 -0.814 16.569 739 HA GLU 31 HA GLU 31 -9.306 -1.848 19.172 740 HB2 GLU 31 2HB GLU 31 -9.217 -3.021 16.430 741 HB3 GLU 31 1HB GLU 31 -9.066 -4.093 17.816 742 HG2 GLU 31 2HG GLU 31 -11.325 -2.145 17.439 743 HG3 GLU 31 1HG GLU 31 -11.382 -3.839 16.945 744 H LYS 32 H LYS 32 -6.639 -1.961 16.826 745 HA LYS 32 HA LYS 32 -5.132 -3.699 18.625 746 HB2 LYS 32 2HB LYS 32 -4.430 -2.798 15.837 747 HB3 LYS 32 1HB LYS 32 -3.650 -4.081 16.749 748 HG2 LYS 32 2HG LYS 32 -6.457 -4.067 15.659 749 HG3 LYS 32 1HG LYS 32 -5.099 -5.035 15.092 750 HD2 LYS 32 2HD LYS 32 -5.066 -6.239 17.225 751 HD3 LYS 32 1HD LYS 32 -6.414 -5.254 17.806 752 HE2 LYS 32 2HE LYS 32 -7.796 -6.097 15.943 753 HE3 LYS 32 1HE LYS 32 -6.455 -7.123 15.437 754 HZ1 LYS 32 3HZ LYS 32 -6.598 -8.290 17.557 755 HZ2 LYS 32 1HZ LYS 32 -8.076 -8.350 16.727 756 HZ3 LYS 32 2HZ LYS 32 -7.885 -7.298 18.038 757 H ASN 33 H ASN 33 -5.473 -0.458 18.274 758 HA ASN 33 HA ASN 33 -4.317 1.361 19.000 759 HB2 ASN 33 2HB ASN 33 -2.379 -0.691 20.093 760 HB3 ASN 33 1HB ASN 33 -2.258 1.039 20.394 761 HD21 ASN 33 1HD2 ASN 33 -3.905 -1.892 21.146 762 HD22 ASN 33 2HD2 ASN 33 -4.868 -1.269 22.439 763 H LEU 34 H LEU 34 -4.145 1.039 16.473 764 HA LEU 34 HA LEU 34 -1.375 1.634 15.721 765 HB2 LEU 34 2HB LEU 34 -3.246 -0.235 14.255 766 HB3 LEU 34 1HB LEU 34 -1.721 0.350 13.615 767 HG LEU 34 HG LEU 34 -1.977 -1.316 16.119 768 HD11 LEU 34 1HD1 LEU 34 -2.693 -2.571 14.146 769 HD12 LEU 34 2HD1 LEU 34 -1.152 -3.165 14.763 770 HD13 LEU 34 3HD1 LEU 34 -1.191 -2.143 13.326 771 HD21 LEU 34 3HD2 LEU 34 0.444 -1.612 15.835 772 HD22 LEU 34 1HD2 LEU 34 0.013 0.082 16.073 773 HD23 LEU 34 2HD2 LEU 34 0.411 -0.507 14.459 774 H THR 35 H THR 35 -1.303 2.769 13.553 775 HA THR 35 HA THR 35 -3.834 4.181 13.006 776 HB THR 35 HB THR 35 -2.600 5.986 12.016 777 HG1 THR 35 1HG THR 35 -0.090 4.876 12.656 778 HG21 THR 35 3HG2 THR 35 -2.779 6.062 14.453 779 HG22 THR 35 1HG2 THR 35 -1.278 6.807 13.905 780 HG23 THR 35 2HG2 THR 35 -1.256 5.185 14.599 781 H LEU 36 H LEU 36 -4.132 4.706 10.613 782 HA LEU 36 HA LEU 36 -4.077 2.348 9.113 783 HB2 LEU 36 2HB LEU 36 -4.916 3.608 7.286 784 HB3 LEU 36 1HB LEU 36 -5.600 4.293 8.741 785 HG LEU 36 HG LEU 36 -3.229 5.500 7.320 786 HD11 LEU 36 1HD1 LEU 36 -5.179 5.445 5.839 787 HD12 LEU 36 2HD1 LEU 36 -4.783 7.086 6.347 788 HD13 LEU 36 3HD1 LEU 36 -6.141 6.241 7.086 789 HD21 LEU 36 3HD2 LEU 36 -3.810 7.494 8.597 790 HD22 LEU 36 1HD2 LEU 36 -3.494 6.135 9.677 791 HD23 LEU 36 2HD2 LEU 36 -5.155 6.636 9.351 792 H SER 37 H SER 37 -1.905 5.154 9.006 793 HA SER 37 HA SER 37 -0.162 4.243 7.015 794 HB2 SER 37 2HB SER 37 0.528 5.905 9.455 795 HB3 SER 37 1HB SER 37 1.430 5.835 7.941 796 HG SER 37 HG SER 37 0.217 7.476 7.443 797 H ASP 38 H ASP 38 -0.178 3.697 10.521 798 HA ASP 38 HA ASP 38 2.256 2.285 10.640 799 HB2 ASP 38 2HB ASP 38 -0.119 2.476 12.447 800 HB3 ASP 38 1HB ASP 38 1.097 1.241 12.755 801 H VAL 39 H VAL 39 -1.085 1.181 10.177 802 HA VAL 39 HA VAL 39 -0.514 -1.582 10.230 803 HB VAL 39 HB VAL 39 -2.751 -0.135 8.793 804 HG11 VAL 39 1HG1 VAL 39 -2.420 -2.379 7.895 805 HG12 VAL 39 2HG1 VAL 39 -3.920 -2.282 8.816 806 HG13 VAL 39 3HG1 VAL 39 -2.499 -3.051 9.523 807 HG21 VAL 39 3HG2 VAL 39 -2.801 0.303 11.163 808 HG22 VAL 39 1HG2 VAL 39 -2.629 -1.414 11.520 809 HG23 VAL 39 2HG2 VAL 39 -4.101 -0.817 10.753 810 H CYS 40 H CYS 40 -0.563 0.778 7.598 811 HA CYS 40 HA CYS 40 -0.170 -1.061 5.495 812 HB2 CYS 40 2HB CYS 40 -0.857 1.476 5.480 813 HB3 CYS 40 1HB CYS 40 0.872 1.760 5.366 814 HG CYS 40 HG CYS 40 0.047 -0.484 3.134 815 H ARG 41 H ARG 41 2.153 1.072 7.137 816 HA ARG 41 HA ARG 41 4.542 0.052 6.277 817 HB2 ARG 41 2HB ARG 41 4.399 2.009 7.691 818 HB3 ARG 41 1HB ARG 41 3.784 1.050 9.027 819 HG2 ARG 41 2HG ARG 41 6.443 0.355 7.909 820 HG3 ARG 41 1HG ARG 41 6.300 1.811 8.892 821 HD2 ARG 41 2HD ARG 41 5.429 -0.954 9.746 822 HD3 ARG 41 1HD ARG 41 6.955 -0.190 10.196 823 HE ARG 41 HE ARG 41 4.514 1.246 10.874 824 HH11 ARG 41 1HH1 ARG 41 7.117 -0.835 11.986 825 HH12 ARG 41 2HH1 ARG 41 6.863 -0.462 13.660 826 HH21 ARG 41 1HH2 ARG 41 4.175 1.714 13.083 827 HH22 ARG 41 2HH2 ARG 41 5.169 0.934 14.282 828 H LEU 42 H LEU 42 2.550 -1.238 8.946 829 HA LEU 42 HA LEU 42 4.427 -3.241 9.686 830 HB2 LEU 42 2HB LEU 42 1.443 -3.085 10.118 831 HB3 LEU 42 1HB LEU 42 2.469 -4.323 10.816 832 HG LEU 42 HG LEU 42 2.731 -1.363 11.341 833 HD11 LEU 42 1HD1 LEU 42 1.844 -1.896 13.557 834 HD12 LEU 42 2HD1 LEU 42 1.591 -3.568 13.055 835 HD13 LEU 42 3HD1 LEU 42 0.680 -2.271 12.287 836 HD21 LEU 42 3HD2 LEU 42 4.106 -3.752 12.580 837 HD22 LEU 42 1HD2 LEU 42 4.245 -2.085 13.145 838 HD23 LEU 42 2HD2 LEU 42 4.854 -2.530 11.550 839 H ALA 43 H ALA 43 2.078 -2.969 7.223 840 HA ALA 43 HA ALA 43 1.830 -5.736 6.657 841 HB1 ALA 43 1HB ALA 43 0.092 -4.136 6.051 842 HB2 ALA 43 2HB ALA 43 0.675 -5.018 4.638 843 HB3 ALA 43 3HB ALA 43 1.201 -3.359 4.922 844 H ILE 44 H ILE 44 3.980 -3.151 5.466 845 HA ILE 44 HA ILE 44 5.074 -4.805 3.398 846 HB ILE 44 HB ILE 44 6.897 -3.200 3.180 847 HG12 ILE 44 2HG1 ILE 44 5.672 -1.791 5.559 848 HG13 ILE 44 1HG1 ILE 44 7.219 -2.630 5.547 849 HG21 ILE 44 1HG2 ILE 44 4.215 -1.873 3.468 850 HG22 ILE 44 2HG2 ILE 44 4.807 -2.745 2.052 851 HG23 ILE 44 3HG2 ILE 44 5.583 -1.243 2.554 852 HD11 ILE 44 3HD1 ILE 44 6.546 -0.209 3.890 853 HD12 ILE 44 1HD1 ILE 44 8.106 -1.026 3.961 854 HD13 ILE 44 2HD1 ILE 44 7.476 -0.201 5.387 855 H LYS 45 H LYS 45 5.757 -4.249 6.764 856 HA LYS 45 HA LYS 45 8.164 -5.641 6.995 857 HB2 LYS 45 2HB LYS 45 7.128 -4.359 8.838 858 HB3 LYS 45 1HB LYS 45 5.851 -5.562 8.948 859 HG2 LYS 45 2HG LYS 45 7.374 -6.000 10.701 860 HG3 LYS 45 1HG LYS 45 7.623 -7.253 9.485 861 HD2 LYS 45 2HD LYS 45 9.568 -6.067 8.633 862 HD3 LYS 45 1HD LYS 45 9.305 -4.768 9.800 863 HE2 LYS 45 2HE LYS 45 10.018 -7.637 10.391 864 HE3 LYS 45 1HE LYS 45 11.039 -6.219 10.627 865 HZ1 LYS 45 3HZ LYS 45 10.150 -6.806 12.728 866 HZ2 LYS 45 1HZ LYS 45 8.572 -6.938 12.117 867 HZ3 LYS 45 2HZ LYS 45 9.313 -5.415 12.232 868 H GLU 46 H GLU 46 4.819 -6.766 7.038 869 HA GLU 46 HA GLU 46 5.449 -9.536 7.298 870 HB2 GLU 46 2HB GLU 46 2.966 -8.012 6.529 871 HB3 GLU 46 1HB GLU 46 3.023 -9.769 6.474 872 HG2 GLU 46 2HG GLU 46 3.663 -8.177 8.937 873 HG3 GLU 46 1HG GLU 46 2.049 -8.782 8.558 874 H TYR 47 H TYR 47 5.081 -7.285 4.690 875 HA TYR 47 HA TYR 47 4.768 -9.089 2.574 876 HB2 TYR 47 2HB TYR 47 4.419 -6.627 2.397 877 HB3 TYR 47 1HB TYR 47 6.158 -6.396 2.521 878 HD1 TYR 47 2HD TYR 47 7.624 -6.957 0.645 879 HD2 TYR 47 1HD TYR 47 3.406 -7.459 0.364 880 HE1 TYR 47 2HE TYR 47 7.810 -7.148 -1.798 881 HE2 TYR 47 1HE TYR 47 3.587 -7.656 -2.079 882 HH TYR 47 HH TYR 47 5.145 -6.985 -3.869 883 H LEU 48 H LEU 48 7.649 -7.648 4.044 884 HA LEU 48 HA LEU 48 9.528 -8.926 2.373 885 HB2 LEU 48 2HB LEU 48 9.914 -8.020 5.222 886 HB3 LEU 48 1HB LEU 48 11.176 -8.297 4.041 887 HG LEU 48 HG LEU 48 9.096 -6.106 3.927 888 HD11 LEU 48 1HD1 LEU 48 10.989 -4.607 4.299 889 HD12 LEU 48 2HD1 LEU 48 12.062 -5.997 4.465 890 HD13 LEU 48 3HD1 LEU 48 10.781 -5.726 5.647 891 HD21 LEU 48 3HD2 LEU 48 10.375 -5.276 2.012 892 HD22 LEU 48 1HD2 LEU 48 9.704 -6.878 1.698 893 HD23 LEU 48 2HD2 LEU 48 11.415 -6.700 2.090 894 H ASP 49 H ASP 49 8.317 -9.711 5.589 895 HA ASP 49 HA ASP 49 9.886 -11.979 6.038 896 HB2 ASP 49 2HB ASP 49 8.716 -10.823 7.821 897 HB3 ASP 49 1HB ASP 49 7.164 -11.244 7.105 898 H ASN 50 H ASN 50 6.624 -11.695 4.649 899 HA ASN 50 HA ASN 50 6.320 -14.552 4.456 900 HB2 ASN 50 2HB ASN 50 4.627 -12.218 3.597 901 HB3 ASN 50 1HB ASN 50 4.230 -13.860 3.100 902 HD21 ASN 50 1HD2 ASN 50 4.494 -11.663 5.786 903 HD22 ASN 50 2HD2 ASN 50 3.599 -12.623 6.914 904 H HIS 51 H HIS 51 7.396 -11.998 2.345 905 HA HIS 51 HA HIS 51 7.315 -13.755 0.023 906 HB2 HIS 51 2HB HIS 51 7.970 -10.866 0.442 907 HB3 HIS 51 1HB HIS 51 8.598 -11.682 -0.984 908 HD1 HIS 51 1HD HIS 51 7.200 -10.856 -2.838 909 HD2 HIS 51 2HD HIS 51 4.916 -11.921 0.473 910 HE1 HIS 51 1HE HIS 51 4.798 -10.635 -3.570 911 HE2 HIS 51 2HE HIS 51 3.428 -11.166 -1.512 912 H ASP 52 H ASP 52 9.269 -13.316 2.621 913 HA ASP 52 HA ASP 52 11.319 -14.017 3.216 914 HB2 ASP 52 2HB ASP 52 10.726 -16.082 2.152 915 HB3 ASP 52 1HB ASP 52 11.149 -15.451 0.566 916 H LYS 53 H LYS 53 11.862 -13.701 -0.278 917 HA LYS 53 HA LYS 53 13.318 -11.344 -0.324 918 HB2 LYS 53 2HB LYS 53 14.934 -12.209 1.188 919 HB3 LYS 53 1HB LYS 53 14.936 -13.784 0.408 920 HG2 LYS 53 2HG LYS 53 15.936 -12.650 -1.608 921 HG3 LYS 53 1HG LYS 53 16.155 -11.225 -0.586 922 HD2 LYS 53 2HD LYS 53 17.588 -12.406 0.895 923 HD3 LYS 53 1HD LYS 53 17.187 -13.953 0.149 924 HE2 LYS 53 2HE LYS 53 18.248 -13.172 -1.941 925 HE3 LYS 53 1HE LYS 53 18.724 -11.689 -1.113 926 HZ1 LYS 53 3HZ LYS 53 20.060 -12.956 0.401 927 HZ2 LYS 53 1HZ LYS 53 20.497 -13.371 -1.184 928 HZ3 LYS 53 2HZ LYS 53 19.526 -14.419 -0.270 929 H GLN 54 H GLN 54 13.509 -14.714 -1.354 930 HA GLN 54 HA GLN 54 13.829 -13.786 -4.129 931 HB2 GLN 54 2HB GLN 54 15.177 -15.856 -4.493 932 HB3 GLN 54 1HB GLN 54 15.921 -14.697 -3.398 933 HG2 GLN 54 2HG GLN 54 15.163 -16.013 -1.488 934 HG3 GLN 54 1HG GLN 54 14.412 -17.170 -2.586 935 HE21 GLN 54 1HE2 GLN 54 16.534 -17.500 -0.580 936 HE22 GLN 54 2HE2 GLN 54 17.877 -18.186 -1.442 937 H LYS 55 H LYS 55 13.222 -15.456 -5.738 938 HA LYS 55 HA LYS 55 11.021 -17.191 -4.828 939 HB2 LYS 55 2HB LYS 55 9.733 -16.527 -6.830 940 HB3 LYS 55 1HB LYS 55 10.040 -15.148 -5.781 941 HG2 LYS 55 2HG LYS 55 11.750 -14.330 -7.218 942 HG3 LYS 55 1HG LYS 55 11.727 -15.807 -8.179 943 HD2 LYS 55 2HD LYS 55 9.327 -15.251 -8.742 944 HD3 LYS 55 1HD LYS 55 9.624 -13.666 -8.020 945 HE2 LYS 55 2HE LYS 55 9.934 -13.638 -10.458 946 HE3 LYS 55 1HE LYS 55 11.425 -13.257 -9.595 947 HZ1 LYS 55 3HZ LYS 55 12.150 -15.542 -9.918 948 HZ2 LYS 55 1HZ LYS 55 11.833 -14.803 -11.408 949 HZ3 LYS 55 2HZ LYS 55 10.723 -15.906 -10.752 950 H LYS 56 H LYS 56 13.581 -18.068 -5.202 951 HA LYS 56 HA LYS 56 14.994 -19.412 -6.348 952 HB2 LYS 56 2HB LYS 56 13.229 -20.967 -6.772 953 HB3 LYS 56 1HB LYS 56 12.525 -19.935 -8.009 954 HG2 LYS 56 2HG LYS 56 14.588 -20.284 -9.370 955 HG3 LYS 56 1HG LYS 56 15.109 -21.466 -8.168 956 HD2 LYS 56 2HD LYS 56 13.379 -22.940 -8.696 957 HD3 LYS 56 1HD LYS 56 12.432 -21.686 -9.503 958 HE2 LYS 56 2HE LYS 56 15.049 -22.820 -10.487 959 HE3 LYS 56 1HE LYS 56 13.452 -23.241 -11.106 960 HZ1 LYS 56 3HZ LYS 56 14.775 -20.583 -11.246 961 HZ2 LYS 56 1HZ LYS 56 13.167 -20.867 -11.695 962 HZ3 LYS 56 2HZ LYS 56 14.430 -21.615 -12.544 Start of MODEL 10 1 H1 GLY 2 1HT GLY 2 -23.199 14.355 -10.359 2 H2 GLY 2 2HT GLY 2 -23.193 13.575 -8.855 3 H3 GLY 2 3HT GLY 2 -21.773 13.645 -9.779 4 HA2 GLY 2 1HA GLY 2 -21.744 16.068 -9.555 5 HA3 GLY 2 2HA GLY 2 -23.174 15.952 -8.540 6 H ARG 3 H ARG 3 -19.761 15.218 -8.798 7 HA ARG 3 HA ARG 3 -18.117 14.874 -7.276 8 HB2 ARG 3 2HB ARG 3 -20.130 16.077 -5.378 9 HB3 ARG 3 1HB ARG 3 -18.469 15.703 -4.938 10 HG2 ARG 3 2HG ARG 3 -17.638 17.295 -6.543 11 HG3 ARG 3 1HG ARG 3 -19.275 17.600 -7.133 12 HD2 ARG 3 2HD ARG 3 -18.348 18.111 -4.311 13 HD3 ARG 3 1HD ARG 3 -18.436 19.345 -5.569 14 HE ARG 3 HE ARG 3 -20.925 18.435 -5.606 15 HH11 ARG 3 1HH1 ARG 3 -18.908 19.305 -2.846 16 HH12 ARG 3 2HH1 ARG 3 -20.270 19.722 -1.854 17 HH21 ARG 3 1HH2 ARG 3 -22.685 18.971 -4.270 18 HH22 ARG 3 2HH2 ARG 3 -22.397 19.531 -2.646 19 HA PRO 4 HA PRO 4 -19.482 10.737 -6.068 20 HB2 PRO 4 2HB PRO 4 -16.572 10.282 -6.024 21 HB3 PRO 4 1HB PRO 4 -17.822 9.444 -6.948 22 HG2 PRO 4 2HG PRO 4 -16.077 11.107 -8.125 23 HG3 PRO 4 1HG PRO 4 -17.760 10.978 -8.674 24 HD2 PRO 4 2HD PRO 4 -16.473 13.081 -6.968 25 HD3 PRO 4 1HD PRO 4 -17.653 13.265 -8.282 26 H TYR 5 H TYR 5 -20.147 11.477 -4.016 27 HA TYR 5 HA TYR 5 -20.181 11.537 -1.762 28 HB2 TYR 5 2HB TYR 5 -17.576 10.006 -1.895 29 HB3 TYR 5 1HB TYR 5 -18.614 10.168 -0.483 30 HD1 TYR 5 2HD TYR 5 -21.157 9.397 -0.983 31 HD2 TYR 5 1HD TYR 5 -17.699 8.052 -3.057 32 HE1 TYR 5 2HE TYR 5 -22.359 7.362 -1.663 33 HE2 TYR 5 1HE TYR 5 -18.889 6.020 -3.742 34 HH TYR 5 HH TYR 5 -22.219 5.681 -3.511 35 H LYS 6 H LYS 6 -16.664 11.615 -2.105 36 HA LYS 6 HA LYS 6 -16.668 14.195 -0.686 37 HB2 LYS 6 2HB LYS 6 -14.351 12.273 -0.944 38 HB3 LYS 6 1HB LYS 6 -14.505 13.625 0.171 39 HG2 LYS 6 2HG LYS 6 -16.364 12.452 1.290 40 HG3 LYS 6 1HG LYS 6 -16.114 11.081 0.210 41 HD2 LYS 6 2HD LYS 6 -13.793 10.893 1.073 42 HD3 LYS 6 1HD LYS 6 -14.153 12.188 2.215 43 HE2 LYS 6 2HE LYS 6 -15.968 10.813 3.161 44 HE3 LYS 6 1HE LYS 6 -15.525 9.508 2.063 45 HZ1 LYS 6 3HZ LYS 6 -13.292 9.544 3.101 46 HZ2 LYS 6 1HZ LYS 6 -14.526 9.100 4.168 47 HZ3 LYS 6 2HZ LYS 6 -13.866 10.659 4.236 48 H LEU 7 H LEU 7 -14.477 12.470 -2.882 49 HA LEU 7 HA LEU 7 -14.479 14.750 -4.693 50 HB2 LEU 7 2HB LEU 7 -12.640 15.218 -3.135 51 HB3 LEU 7 1HB LEU 7 -11.947 13.642 -3.470 52 HG LEU 7 HG LEU 7 -11.697 14.365 -5.872 53 HD11 LEU 7 1HD1 LEU 7 -11.706 16.784 -6.308 54 HD12 LEU 7 2HD1 LEU 7 -12.388 17.056 -4.704 55 HD13 LEU 7 3HD1 LEU 7 -13.308 16.162 -5.915 56 HD21 LEU 7 3HD2 LEU 7 -9.828 14.339 -4.295 57 HD22 LEU 7 1HD2 LEU 7 -10.224 15.986 -3.802 58 HD23 LEU 7 2HD2 LEU 7 -9.686 15.663 -5.451 59 H LEU 8 H LEU 8 -12.337 11.942 -4.281 60 HA LEU 8 HA LEU 8 -13.492 10.723 -6.681 61 HB2 LEU 8 2HB LEU 8 -10.557 11.290 -6.246 62 HB3 LEU 8 1HB LEU 8 -11.163 10.196 -7.472 63 HG LEU 8 HG LEU 8 -11.821 13.138 -7.346 64 HD11 LEU 8 1HD1 LEU 8 -9.464 12.829 -7.810 65 HD12 LEU 8 2HD1 LEU 8 -10.310 13.331 -9.275 66 HD13 LEU 8 3HD1 LEU 8 -9.845 11.643 -9.059 67 HD21 LEU 8 3HD2 LEU 8 -13.537 11.804 -8.445 68 HD22 LEU 8 1HD2 LEU 8 -12.312 11.055 -9.469 69 HD23 LEU 8 2HD2 LEU 8 -12.656 12.778 -9.624 70 H ASN 9 H ASN 9 -13.195 10.341 -3.647 71 HA ASN 9 HA ASN 9 -13.069 8.651 -2.156 72 HB2 ASN 9 2HB ASN 9 -13.503 7.044 -4.671 73 HB3 ASN 9 1HB ASN 9 -13.523 6.340 -3.054 74 HD21 ASN 9 1HD2 ASN 9 -15.644 6.603 -5.085 75 HD22 ASN 9 2HD2 ASN 9 -16.934 7.434 -4.293 76 H GLY 10 H GLY 10 -10.795 9.488 -2.077 77 HA2 GLY 10 2HA GLY 10 -9.014 7.227 -1.952 78 HA3 GLY 10 1HA GLY 10 -8.542 8.436 -3.144 79 H ILE 11 H ILE 11 -7.643 7.503 -0.281 80 HA ILE 11 HA ILE 11 -7.742 10.172 0.978 81 HB ILE 11 HB ILE 11 -7.514 7.538 2.433 82 HG12 ILE 11 2HG1 ILE 11 -9.700 7.693 1.295 83 HG13 ILE 11 1HG1 ILE 11 -9.863 7.785 3.044 84 HG21 ILE 11 1HG2 ILE 11 -8.065 8.859 4.408 85 HG22 ILE 11 2HG2 ILE 11 -8.135 10.316 3.418 86 HG23 ILE 11 3HG2 ILE 11 -6.606 9.462 3.624 87 HD11 ILE 11 3HD1 ILE 11 -11.331 9.372 1.961 88 HD12 ILE 11 1HD1 ILE 11 -9.955 10.112 1.139 89 HD13 ILE 11 2HD1 ILE 11 -10.090 10.213 2.893 90 H LYS 12 H LYS 12 -5.897 10.984 1.905 91 HA LYS 12 HA LYS 12 -3.415 9.680 1.045 92 HB2 LYS 12 2HB LYS 12 -3.881 12.010 0.282 93 HB3 LYS 12 1HB LYS 12 -3.869 12.528 1.961 94 HG2 LYS 12 2HG LYS 12 -1.758 13.078 1.081 95 HG3 LYS 12 1HG LYS 12 -1.510 11.654 2.093 96 HD2 LYS 12 2HD LYS 12 -1.542 10.233 0.098 97 HD3 LYS 12 1HD LYS 12 -1.794 11.659 -0.913 98 HE2 LYS 12 2HE LYS 12 0.350 12.569 0.012 99 HE3 LYS 12 1HE LYS 12 0.614 11.000 0.769 100 HZ1 LYS 12 3HZ LYS 12 1.791 11.099 -1.293 101 HZ2 LYS 12 1HZ LYS 12 0.395 11.553 -2.144 102 HZ3 LYS 12 2HZ LYS 12 0.511 9.999 -1.475 103 H LEU 13 H LEU 13 -2.235 8.699 2.501 104 HA LEU 13 HA LEU 13 -2.478 9.495 5.322 105 HB2 LEU 13 2HB LEU 13 -1.814 7.054 5.766 106 HB3 LEU 13 1HB LEU 13 -3.466 7.392 5.292 107 HG LEU 13 HG LEU 13 -1.481 6.610 3.190 108 HD11 LEU 13 1HD1 LEU 13 -2.010 4.260 3.568 109 HD12 LEU 13 2HD1 LEU 13 -2.935 4.692 5.005 110 HD13 LEU 13 3HD1 LEU 13 -1.192 4.958 4.967 111 HD21 LEU 13 3HD2 LEU 13 -3.493 5.623 2.176 112 HD22 LEU 13 1HD2 LEU 13 -3.701 7.347 2.494 113 HD23 LEU 13 2HD2 LEU 13 -4.446 6.153 3.563 114 H GLY 14 H GLY 14 -0.669 9.922 6.400 115 HA2 GLY 14 2HA GLY 14 1.832 9.764 4.864 116 HA3 GLY 14 1HA GLY 14 1.506 10.894 6.171 117 H VAL 15 H VAL 15 3.575 8.695 5.591 118 HA VAL 15 HA VAL 15 3.338 7.340 8.204 119 HB VAL 15 HB VAL 15 4.698 6.064 5.837 120 HG11 VAL 15 1HG1 VAL 15 4.258 3.989 7.067 121 HG12 VAL 15 2HG1 VAL 15 3.474 4.918 8.344 122 HG13 VAL 15 3HG1 VAL 15 5.197 5.131 8.028 123 HG21 VAL 15 3HG2 VAL 15 2.395 6.523 5.143 124 HG22 VAL 15 1HG2 VAL 15 1.800 5.696 6.582 125 HG23 VAL 15 2HG2 VAL 15 2.682 4.795 5.348 126 H TYR 16 H TYR 16 5.487 6.612 9.049 127 HA TYR 16 HA TYR 16 7.769 8.058 7.921 128 HB2 TYR 16 2HB TYR 16 6.675 8.294 10.653 129 HB3 TYR 16 1HB TYR 16 8.422 8.095 10.546 130 HD1 TYR 16 2HD TYR 16 9.487 9.606 8.594 131 HD2 TYR 16 1HD TYR 16 5.909 10.468 10.720 132 HE1 TYR 16 2HE TYR 16 9.753 11.977 8.045 133 HE2 TYR 16 1HE TYR 16 6.162 12.855 10.188 134 HH TYR 16 HH TYR 16 7.959 14.429 9.588 135 H ILE 17 H ILE 17 9.374 6.754 7.484 136 HA ILE 17 HA ILE 17 9.845 4.371 9.115 137 HB ILE 17 HB ILE 17 10.126 2.980 7.082 138 HG12 ILE 17 2HG1 ILE 17 8.821 5.333 5.697 139 HG13 ILE 17 1HG1 ILE 17 10.475 4.780 5.463 140 HG21 ILE 17 1HG2 ILE 17 7.718 2.639 6.648 141 HG22 ILE 17 2HG2 ILE 17 7.378 4.139 7.507 142 HG23 ILE 17 3HG2 ILE 17 8.095 2.774 8.364 143 HD11 ILE 17 3HD1 ILE 17 8.000 3.216 4.775 144 HD12 ILE 17 1HD1 ILE 17 9.666 2.712 4.495 145 HD13 ILE 17 2HD1 ILE 17 9.011 4.107 3.637 146 HA PRO 18 HA PRO 18 14.089 5.408 8.772 147 HB2 PRO 18 2HB PRO 18 14.663 2.581 8.064 148 HB3 PRO 18 1HB PRO 18 15.294 3.564 9.390 149 HG2 PRO 18 2HG PRO 18 13.479 1.673 9.851 150 HG3 PRO 18 1HG PRO 18 13.429 3.221 10.717 151 HD2 PRO 18 2HD PRO 18 11.751 2.272 8.429 152 HD3 PRO 18 1HD PRO 18 11.284 3.226 9.853 153 H GLN 19 H GLN 19 15.738 5.847 7.326 154 HA GLN 19 HA GLN 19 15.089 6.187 4.647 155 HB2 GLN 19 2HB GLN 19 16.817 7.506 5.682 156 HB3 GLN 19 1HB GLN 19 17.789 6.076 5.994 157 HG2 GLN 19 2HG GLN 19 18.676 7.354 4.137 158 HG3 GLN 19 1HG GLN 19 18.132 5.765 3.609 159 HE21 GLN 19 1HE2 GLN 19 16.349 5.602 2.262 160 HE22 GLN 19 2HE2 GLN 19 15.692 6.970 1.420 161 H GLU 20 H GLU 20 17.067 3.632 6.142 162 HA GLU 20 HA GLU 20 17.824 2.343 3.785 163 HB2 GLU 20 2HB GLU 20 17.396 1.179 6.539 164 HB3 GLU 20 1HB GLU 20 18.211 0.352 5.218 165 HG2 GLU 20 2HG GLU 20 19.099 2.955 6.437 166 HG3 GLU 20 1HG GLU 20 19.772 1.374 6.824 167 H TRP 21 H TRP 21 14.784 2.301 5.468 168 HA TRP 21 HA TRP 21 13.844 -0.089 4.120 169 HB2 TRP 21 2HB TRP 21 13.149 1.011 6.484 170 HB3 TRP 21 1HB TRP 21 11.930 1.760 5.459 171 HD1 TRP 21 HD TRP 21 13.253 -1.897 5.710 172 HE1 TRP 21 1HE TRP 21 11.214 -3.457 5.901 173 HE3 TRP 21 3HE TRP 21 9.533 1.592 5.596 174 HZ2 TRP 21 2HZ TRP 21 8.399 -3.238 5.988 175 HZ3 TRP 21 3HZ TRP 21 7.202 0.844 5.735 176 HH2 TRP 21 HH TRP 21 6.635 -1.517 5.929 177 H HIS 22 H HIS 22 13.200 3.407 4.052 178 HA HIS 22 HA HIS 22 11.510 3.630 1.878 179 HB2 HIS 22 2HB HIS 22 13.350 5.332 3.295 180 HB3 HIS 22 1HB HIS 22 13.510 5.627 1.566 181 HD1 HIS 22 1HD HIS 22 11.723 7.026 0.463 182 HD2 HIS 22 2HD HIS 22 10.755 5.877 4.343 183 HE1 HIS 22 1HE HIS 22 9.667 8.340 1.068 184 HE2 HIS 22 2HE HIS 22 9.219 7.773 3.478 185 H ASP 23 H ASP 23 15.024 3.455 1.900 186 HA ASP 23 HA ASP 23 15.452 3.830 -0.845 187 HB2 ASP 23 2HB ASP 23 17.141 4.178 0.925 188 HB3 ASP 23 1HB ASP 23 17.219 2.437 1.172 189 H ARG 24 H ARG 24 15.175 0.840 1.067 190 HA ARG 24 HA ARG 24 15.776 -0.836 -1.196 191 HB2 ARG 24 2HB ARG 24 14.955 -1.311 1.635 192 HB3 ARG 24 1HB ARG 24 14.768 -2.615 0.474 193 HG2 ARG 24 2HG ARG 24 16.893 -2.639 1.799 194 HG3 ARG 24 1HG ARG 24 17.097 -2.693 0.047 195 HD2 ARG 24 2HD ARG 24 17.863 -0.502 -0.055 196 HD3 ARG 24 1HD ARG 24 17.159 -0.086 1.506 197 HE ARG 24 HE ARG 24 19.266 -2.066 1.597 198 HH11 ARG 24 1HH1 ARG 24 18.577 1.357 1.576 199 HH12 ARG 24 2HH1 ARG 24 19.863 1.771 2.667 200 HH21 ARG 24 1HH2 ARG 24 21.007 -1.550 2.981 201 HH22 ARG 24 2HH2 ARG 24 21.261 0.109 3.462 202 H LEU 25 H LEU 25 12.866 0.427 0.283 203 HA LEU 25 HA LEU 25 11.032 -1.115 -1.200 204 HB2 LEU 25 2HB LEU 25 10.848 1.721 -0.181 205 HB3 LEU 25 1HB LEU 25 9.513 0.880 -0.942 206 HG LEU 25 HG LEU 25 10.861 0.088 1.639 207 HD11 LEU 25 1HD1 LEU 25 8.718 0.682 2.659 208 HD12 LEU 25 2HD1 LEU 25 8.126 1.229 1.090 209 HD13 LEU 25 3HD1 LEU 25 9.469 2.068 1.866 210 HD21 LEU 25 3HD2 LEU 25 9.152 -1.622 1.814 211 HD22 LEU 25 1HD2 LEU 25 10.092 -1.851 0.340 212 HD23 LEU 25 2HD2 LEU 25 8.480 -1.139 0.257 213 H MET 26 H MET 26 12.757 1.883 -1.887 214 HA MET 26 HA MET 26 11.632 2.399 -4.406 215 HB2 MET 26 2HB MET 26 14.314 3.171 -3.257 216 HB3 MET 26 1HB MET 26 13.677 3.791 -4.775 217 HG2 MET 26 2HG MET 26 12.355 4.109 -2.090 218 HG3 MET 26 1HG MET 26 13.351 5.332 -2.884 219 HE1 MET 26 3HE MET 26 12.670 6.465 -5.241 220 HE2 MET 26 1HE MET 26 11.196 6.049 -6.119 221 HE3 MET 26 2HE MET 26 12.482 4.857 -5.937 222 H GLU 27 H GLU 27 14.355 0.370 -3.445 223 HA GLU 27 HA GLU 27 15.350 -0.132 -6.030 224 HB2 GLU 27 2HB GLU 27 15.367 -1.991 -3.643 225 HB3 GLU 27 1HB GLU 27 16.361 -2.164 -5.080 226 HG2 GLU 27 2HG GLU 27 17.425 0.006 -4.542 227 HG3 GLU 27 1HG GLU 27 16.503 0.036 -3.038 228 H ILE 28 H ILE 28 13.061 -1.932 -4.027 229 HA ILE 28 HA ILE 28 12.397 -3.881 -5.973 230 HB ILE 28 HB ILE 28 10.692 -2.854 -3.691 231 HG12 ILE 28 2HG1 ILE 28 12.578 -5.219 -3.799 232 HG13 ILE 28 1HG1 ILE 28 12.920 -3.694 -2.989 233 HG21 ILE 28 1HG2 ILE 28 9.363 -4.086 -5.298 234 HG22 ILE 28 2HG2 ILE 28 9.578 -5.047 -3.836 235 HG23 ILE 28 3HG2 ILE 28 10.524 -5.412 -5.278 236 HD11 ILE 28 3HD1 ILE 28 12.231 -5.413 -1.414 237 HD12 ILE 28 1HD1 ILE 28 10.706 -5.610 -2.280 238 HD13 ILE 28 2HD1 ILE 28 11.064 -4.092 -1.458 239 H ALA 29 H ALA 29 11.215 -0.688 -5.271 240 HA ALA 29 HA ALA 29 8.869 -0.688 -6.816 241 HB1 ALA 29 1HB ALA 29 10.665 1.625 -6.095 242 HB2 ALA 29 2HB ALA 29 9.363 0.979 -5.097 243 HB3 ALA 29 3HB ALA 29 8.992 1.739 -6.643 244 H LYS 30 H LYS 30 12.228 -0.241 -7.672 245 HA LYS 30 HA LYS 30 11.612 0.818 -10.273 246 HB2 LYS 30 2HB LYS 30 14.193 -0.207 -9.093 247 HB3 LYS 30 1HB LYS 30 14.055 0.461 -10.714 248 HG2 LYS 30 2HG LYS 30 13.189 2.571 -9.659 249 HG3 LYS 30 1HG LYS 30 13.628 1.879 -8.098 250 HD2 LYS 30 2HD LYS 30 15.510 2.380 -10.401 251 HD3 LYS 30 1HD LYS 30 15.375 3.368 -8.944 252 HE2 LYS 30 2HE LYS 30 16.111 1.516 -7.575 253 HE3 LYS 30 1HE LYS 30 16.132 0.447 -8.978 254 HZ1 LYS 30 3HZ LYS 30 18.348 1.186 -8.485 255 HZ2 LYS 30 1HZ LYS 30 17.877 2.815 -8.539 256 HZ3 LYS 30 2HZ LYS 30 17.856 1.881 -9.953 257 H GLU 31 H GLU 31 12.474 -2.286 -8.903 258 HA GLU 31 HA GLU 31 12.750 -3.716 -11.305 259 HB2 GLU 31 2HB GLU 31 11.671 -4.759 -8.682 260 HB3 GLU 31 1HB GLU 31 12.361 -5.716 -9.980 261 HG2 GLU 31 2HG GLU 31 14.535 -4.695 -9.590 262 HG3 GLU 31 1HG GLU 31 13.845 -3.720 -8.287 263 H LYS 32 H LYS 32 9.947 -3.100 -9.234 264 HA LYS 32 HA LYS 32 8.258 -4.748 -10.942 265 HB2 LYS 32 2HB LYS 32 7.922 -3.526 -8.220 266 HB3 LYS 32 1HB LYS 32 6.531 -4.131 -9.105 267 HG2 LYS 32 2HG LYS 32 7.371 -5.766 -7.507 268 HG3 LYS 32 1HG LYS 32 7.499 -6.359 -9.160 269 HD2 LYS 32 2HD LYS 32 9.864 -5.919 -9.193 270 HD3 LYS 32 1HD LYS 32 9.778 -5.112 -7.627 271 HE2 LYS 32 2HE LYS 32 9.284 -7.151 -6.511 272 HE3 LYS 32 1HE LYS 32 9.029 -7.996 -8.037 273 HZ1 LYS 32 3HZ LYS 32 11.331 -7.852 -8.540 274 HZ2 LYS 32 1HZ LYS 32 11.203 -8.458 -6.964 275 HZ3 LYS 32 2HZ LYS 32 11.644 -6.838 -7.215 276 H ASN 33 H ASN 33 9.177 -1.598 -10.913 277 HA ASN 33 HA ASN 33 8.442 0.331 -11.839 278 HB2 ASN 33 2HB ASN 33 6.539 -1.550 -13.246 279 HB3 ASN 33 1HB ASN 33 6.686 0.162 -13.633 280 HD21 ASN 33 1HD2 ASN 33 7.218 -2.208 -15.270 281 HD22 ASN 33 2HD2 ASN 33 8.862 -2.066 -15.793 282 H LEU 34 H LEU 34 7.724 0.170 -9.398 283 HA LEU 34 HA LEU 34 4.956 1.146 -9.236 284 HB2 LEU 34 2HB LEU 34 6.280 -0.810 -7.343 285 HB3 LEU 34 1HB LEU 34 4.728 -0.041 -7.065 286 HG LEU 34 HG LEU 34 5.317 -1.913 -9.361 287 HD11 LEU 34 1HD1 LEU 34 3.983 -3.543 -8.113 288 HD12 LEU 34 2HD1 LEU 34 3.878 -2.418 -6.760 289 HD13 LEU 34 3HD1 LEU 34 5.440 -3.085 -7.232 290 HD21 LEU 34 3HD2 LEU 34 2.875 -1.945 -9.610 291 HD22 LEU 34 1HD2 LEU 34 3.540 -0.329 -9.844 292 HD23 LEU 34 2HD2 LEU 34 2.738 -0.742 -8.329 293 H THR 35 H THR 35 4.636 2.416 -7.152 294 HA THR 35 HA THR 35 7.186 3.603 -6.279 295 HB THR 35 HB THR 35 5.862 5.431 -5.298 296 HG1 THR 35 1HG THR 35 3.652 3.983 -6.402 297 HG21 THR 35 3HG2 THR 35 6.670 5.681 -7.579 298 HG22 THR 35 1HG2 THR 35 5.100 6.460 -7.396 299 HG23 THR 35 2HG2 THR 35 5.219 4.895 -8.198 300 H LEU 36 H LEU 36 7.274 4.133 -3.865 301 HA LEU 36 HA LEU 36 6.962 1.750 -2.409 302 HB2 LEU 36 2HB LEU 36 7.493 3.122 -0.409 303 HB3 LEU 36 1HB LEU 36 8.623 3.305 -1.730 304 HG LEU 36 HG LEU 36 7.152 5.421 -2.288 305 HD11 LEU 36 1HD1 LEU 36 6.687 5.041 0.667 306 HD12 LEU 36 2HD1 LEU 36 5.456 5.055 -0.598 307 HD13 LEU 36 3HD1 LEU 36 6.366 6.523 -0.233 308 HD21 LEU 36 3HD2 LEU 36 8.693 6.761 -0.950 309 HD22 LEU 36 1HD2 LEU 36 9.530 5.432 -1.752 310 HD23 LEU 36 2HD2 LEU 36 9.151 5.327 -0.034 311 H SER 37 H SER 37 4.897 4.545 -2.727 312 HA SER 37 HA SER 37 3.004 3.986 -0.756 313 HB2 SER 37 2HB SER 37 2.488 5.204 -3.482 314 HB3 SER 37 1HB SER 37 1.511 5.417 -2.029 315 HG SER 37 HG SER 37 2.778 7.003 -1.528 316 H ASP 38 H ASP 38 3.307 2.817 -4.080 317 HA ASP 38 HA ASP 38 0.883 1.361 -4.154 318 HB2 ASP 38 2HB ASP 38 3.452 0.914 -5.699 319 HB3 ASP 38 1HB ASP 38 1.924 0.108 -6.038 320 H VAL 39 H VAL 39 4.203 0.458 -3.326 321 HA VAL 39 HA VAL 39 3.727 -2.292 -2.982 322 HB VAL 39 HB VAL 39 5.822 -0.593 -1.603 323 HG11 VAL 39 1HG1 VAL 39 7.094 -2.677 -1.437 324 HG12 VAL 39 2HG1 VAL 39 5.740 -3.560 -2.143 325 HG13 VAL 39 3HG1 VAL 39 5.564 -2.783 -0.569 326 HG21 VAL 39 3HG2 VAL 39 5.906 -0.340 -4.031 327 HG22 VAL 39 1HG2 VAL 39 5.964 -2.092 -4.219 328 HG23 VAL 39 2HG2 VAL 39 7.301 -1.245 -3.441 329 H CYS 40 H CYS 40 3.376 0.448 -0.818 330 HA CYS 40 HA CYS 40 3.086 -1.061 1.567 331 HB2 CYS 40 2HB CYS 40 3.612 1.491 1.142 332 HB3 CYS 40 1HB CYS 40 1.862 1.674 1.215 333 HG CYS 40 HG CYS 40 1.682 1.681 3.762 334 H ARG 41 H ARG 41 0.560 0.697 -0.302 335 HA ARG 41 HA ARG 41 -1.628 -0.528 0.843 336 HB2 ARG 41 2HB ARG 41 -2.893 0.099 -1.155 337 HB3 ARG 41 1HB ARG 41 -1.839 1.400 -0.627 338 HG2 ARG 41 2HG ARG 41 -1.578 1.444 -2.909 339 HG3 ARG 41 1HG ARG 41 -0.204 0.460 -2.403 340 HD2 ARG 41 2HD ARG 41 -1.191 -0.628 -4.280 341 HD3 ARG 41 1HD ARG 41 -1.612 -1.577 -2.839 342 HE ARG 41 HE ARG 41 -3.575 0.421 -3.658 343 HH11 ARG 41 1HH1 ARG 41 -2.580 -2.931 -3.777 344 HH12 ARG 41 2HH1 ARG 41 -4.099 -3.510 -4.392 345 HH21 ARG 41 1HH2 ARG 41 -5.579 -0.316 -4.479 346 HH22 ARG 41 2HH2 ARG 41 -5.811 -2.017 -4.794 347 H LEU 42 H LEU 42 0.397 -1.754 -1.811 348 HA LEU 42 HA LEU 42 -1.225 -4.016 -2.384 349 HB2 LEU 42 2HB LEU 42 1.710 -3.465 -2.803 350 HB3 LEU 42 1HB LEU 42 0.967 -4.980 -3.275 351 HG LEU 42 HG LEU 42 0.106 -2.285 -4.329 352 HD11 LEU 42 1HD1 LEU 42 2.403 -2.768 -4.998 353 HD12 LEU 42 2HD1 LEU 42 1.302 -2.896 -6.371 354 HD13 LEU 42 3HD1 LEU 42 1.905 -4.355 -5.587 355 HD21 LEU 42 3HD2 LEU 42 -1.018 -3.635 -6.046 356 HD22 LEU 42 1HD2 LEU 42 -1.625 -3.995 -4.431 357 HD23 LEU 42 2HD2 LEU 42 -0.506 -5.106 -5.219 358 H ALA 43 H ALA 43 0.951 -3.191 0.102 359 HA ALA 43 HA ALA 43 1.658 -5.801 0.849 360 HB1 ALA 43 1HB ALA 43 1.827 -3.266 2.442 361 HB2 ALA 43 2HB ALA 43 3.083 -3.924 1.395 362 HB3 ALA 43 3HB ALA 43 2.608 -4.795 2.854 363 H ILE 44 H ILE 44 -0.772 -3.490 2.032 364 HA ILE 44 HA ILE 44 -1.664 -5.204 4.121 365 HB ILE 44 HB ILE 44 -3.816 -3.754 3.953 366 HG12 ILE 44 2HG1 ILE 44 -1.868 -2.187 2.260 367 HG13 ILE 44 1HG1 ILE 44 -3.491 -2.719 1.818 368 HG21 ILE 44 1HG2 ILE 44 -2.663 -1.960 5.246 369 HG22 ILE 44 2HG2 ILE 44 -1.133 -2.739 4.834 370 HG23 ILE 44 3HG2 ILE 44 -2.333 -3.604 5.792 371 HD11 ILE 44 3HD1 ILE 44 -3.461 -0.343 2.309 372 HD12 ILE 44 1HD1 ILE 44 -2.821 -0.670 3.923 373 HD13 ILE 44 2HD1 ILE 44 -4.441 -1.215 3.488 374 H LYS 45 H LYS 45 -2.516 -4.830 0.749 375 HA LYS 45 HA LYS 45 -4.781 -6.471 0.751 376 HB2 LYS 45 2HB LYS 45 -4.099 -5.171 -1.218 377 HB3 LYS 45 1HB LYS 45 -2.681 -6.196 -1.409 378 HG2 LYS 45 2HG LYS 45 -4.485 -6.784 -2.963 379 HG3 LYS 45 1HG LYS 45 -4.080 -8.110 -1.869 380 HD2 LYS 45 2HD LYS 45 -5.998 -7.436 -0.437 381 HD3 LYS 45 1HD LYS 45 -6.433 -6.232 -1.652 382 HE2 LYS 45 2HE LYS 45 -6.754 -7.976 -3.302 383 HE3 LYS 45 1HE LYS 45 -6.228 -9.197 -2.146 384 HZ1 LYS 45 3HZ LYS 45 -8.626 -9.139 -2.304 385 HZ2 LYS 45 1HZ LYS 45 -8.650 -7.492 -1.897 386 HZ3 LYS 45 2HZ LYS 45 -8.140 -8.643 -0.759 387 H GLU 46 H GLU 46 -1.342 -7.237 0.613 388 HA GLU 46 HA GLU 46 -1.661 -10.060 0.373 389 HB2 GLU 46 2HB GLU 46 0.415 -8.902 -0.280 390 HB3 GLU 46 1HB GLU 46 0.671 -8.412 1.389 391 HG2 GLU 46 2HG GLU 46 2.108 -10.239 0.961 392 HG3 GLU 46 1HG GLU 46 0.811 -10.834 1.993 393 H TYR 47 H TYR 47 -1.372 -7.759 2.993 394 HA TYR 47 HA TYR 47 -1.007 -9.530 5.118 395 HB2 TYR 47 2HB TYR 47 -0.719 -7.077 5.274 396 HB3 TYR 47 1HB TYR 47 -2.460 -6.876 5.125 397 HD1 TYR 47 1HD TYR 47 0.270 -7.931 7.332 398 HD2 TYR 47 2HD TYR 47 -3.932 -7.343 7.003 399 HE1 TYR 47 1HE TYR 47 0.067 -8.064 9.777 400 HE2 TYR 47 2HE TYR 47 -4.147 -7.483 9.450 401 HH TYR 47 HH TYR 47 -1.497 -7.287 11.539 402 H LEU 48 H LEU 48 -3.949 -8.195 3.679 403 HA LEU 48 HA LEU 48 -5.778 -9.483 5.407 404 HB2 LEU 48 2HB LEU 48 -6.186 -8.568 2.555 405 HB3 LEU 48 1HB LEU 48 -7.460 -8.978 3.687 406 HG LEU 48 HG LEU 48 -5.541 -6.662 3.940 407 HD11 LEU 48 1HD1 LEU 48 -7.221 -6.365 2.201 408 HD12 LEU 48 2HD1 LEU 48 -7.520 -5.294 3.570 409 HD13 LEU 48 3HD1 LEU 48 -8.494 -6.749 3.358 410 HD21 LEU 48 3HD2 LEU 48 -6.928 -6.004 5.855 411 HD22 LEU 48 1HD2 LEU 48 -6.129 -7.553 6.131 412 HD23 LEU 48 2HD2 LEU 48 -7.840 -7.506 5.707 413 H ASP 49 H ASP 49 -4.623 -10.303 2.157 414 HA ASP 49 HA ASP 49 -6.127 -12.657 1.858 415 HB2 ASP 49 2HB ASP 49 -5.049 -11.433 0.003 416 HB3 ASP 49 1HB ASP 49 -3.478 -11.971 0.588 417 H ASN 50 H ASN 50 -3.061 -12.053 3.422 418 HA ASN 50 HA ASN 50 -2.266 -14.798 3.578 419 HB2 ASN 50 2HB ASN 50 -0.617 -12.982 3.673 420 HB3 ASN 50 1HB ASN 50 -1.339 -12.392 5.167 421 HD21 ASN 50 1HD2 ASN 50 0.393 -12.658 6.472 422 HD22 ASN 50 2HD2 ASN 50 1.089 -14.191 6.864 423 H HIS 51 H HIS 51 -4.110 -12.610 5.606 424 HA HIS 51 HA HIS 51 -4.093 -14.504 7.817 425 HB2 HIS 51 2HB HIS 51 -5.241 -11.742 7.475 426 HB3 HIS 51 1HB HIS 51 -5.648 -12.745 8.864 427 HD1 HIS 51 1HD HIS 51 -4.237 -12.296 10.830 428 HD2 HIS 51 2HD HIS 51 -2.210 -11.560 7.271 429 HE1 HIS 51 1HE HIS 51 -1.952 -11.456 11.501 430 HE2 HIS 51 2HE HIS 51 -0.692 -11.184 9.326 431 H ASP 52 H ASP 52 -6.165 -13.454 5.236 432 HA ASP 52 HA ASP 52 -8.355 -15.120 6.244 433 HB2 ASP 52 2HB ASP 52 -8.721 -12.761 5.304 434 HB3 ASP 52 1HB ASP 52 -8.371 -13.457 3.725 435 H LYS 53 H LYS 53 -7.176 -17.078 5.944 436 HA LYS 53 HA LYS 53 -6.255 -17.780 3.284 437 HB2 LYS 53 2HB LYS 53 -6.308 -19.447 5.808 438 HB3 LYS 53 1HB LYS 53 -5.454 -19.842 4.325 439 HG2 LYS 53 2HG LYS 53 -3.991 -17.925 4.627 440 HG3 LYS 53 1HG LYS 53 -4.873 -17.469 6.087 441 HD2 LYS 53 2HD LYS 53 -4.250 -19.645 7.094 442 HD3 LYS 53 1HD LYS 53 -3.297 -20.006 5.655 443 HE2 LYS 53 2HE LYS 53 -2.847 -17.649 7.484 444 HE3 LYS 53 1HE LYS 53 -1.937 -19.157 7.537 445 HZ1 LYS 53 3HZ LYS 53 -2.063 -17.320 5.207 446 HZ2 LYS 53 1HZ LYS 53 -1.142 -18.741 5.309 447 HZ3 LYS 53 2HZ LYS 53 -0.778 -17.419 6.304 448 H GLN 54 H GLN 54 -8.803 -18.648 5.523 449 HA GLN 54 HA GLN 54 -10.815 -19.659 5.265 450 HB2 GLN 54 2HB GLN 54 -10.179 -19.358 2.331 451 HB3 GLN 54 1HB GLN 54 -11.707 -19.978 2.935 452 HG2 GLN 54 2HG GLN 54 -12.150 -17.879 4.053 453 HG3 GLN 54 1HG GLN 54 -10.587 -17.252 3.532 454 HE21 GLN 54 1HE2 GLN 54 -11.519 -15.556 2.444 455 HE22 GLN 54 2HE2 GLN 54 -12.357 -15.770 0.939 456 H LYS 55 H LYS 55 -11.867 -21.662 4.081 457 HA LYS 55 HA LYS 55 -9.856 -23.769 3.664 458 HB2 LYS 55 2HB LYS 55 -12.284 -24.022 5.455 459 HB3 LYS 55 1HB LYS 55 -11.198 -25.335 5.028 460 HG2 LYS 55 2HG LYS 55 -9.358 -24.147 6.160 461 HG3 LYS 55 1HG LYS 55 -10.494 -22.884 6.632 462 HD2 LYS 55 2HD LYS 55 -10.202 -24.406 8.472 463 HD3 LYS 55 1HD LYS 55 -11.831 -24.590 7.823 464 HE2 LYS 55 2HE LYS 55 -10.906 -26.771 8.275 465 HE3 LYS 55 1HE LYS 55 -11.059 -26.551 6.532 466 HZ1 LYS 55 3HZ LYS 55 -8.691 -25.990 6.456 467 HZ2 LYS 55 1HZ LYS 55 -8.948 -27.550 7.069 468 HZ3 LYS 55 2HZ LYS 55 -8.564 -26.273 8.121 469 H LYS 56 H LYS 56 -11.627 -22.140 1.990 470 HA LYS 56 HA LYS 56 -13.038 -22.268 0.228 471 HB2 LYS 56 2HB LYS 56 -13.013 -25.272 0.487 472 HB3 LYS 56 1HB LYS 56 -13.364 -24.317 -0.943 473 HG2 LYS 56 2HG LYS 56 -11.041 -23.611 -1.064 474 HG3 LYS 56 1HG LYS 56 -10.674 -24.533 0.395 475 HD2 LYS 56 2HD LYS 56 -11.498 -25.569 -2.307 476 HD3 LYS 56 1HD LYS 56 -10.005 -25.891 -1.427 477 HE2 LYS 56 2HE LYS 56 -12.773 -26.826 -0.695 478 HE3 LYS 56 1HE LYS 56 -11.460 -27.819 -1.326 479 HZ1 LYS 56 3HZ LYS 56 -10.203 -27.399 0.676 480 HZ2 LYS 56 1HZ LYS 56 -11.719 -28.040 1.072 481 HZ3 LYS 56 2HZ LYS 56 -11.427 -26.385 1.279 482 H1 GLY 2 1HT GLY 2 25.953 15.026 16.077 483 H2 GLY 2 2HT GLY 2 26.193 15.012 14.397 484 H3 GLY 2 3HT GLY 2 25.174 13.871 15.114 485 HA2 GLY 2 1HA GLY 2 23.579 15.517 15.697 486 HA3 GLY 2 2HA GLY 2 24.670 16.790 15.166 487 H ARG 3 H ARG 3 21.922 16.004 14.308 488 HA ARG 3 HA ARG 3 20.681 15.906 12.412 489 HB2 ARG 3 2HB ARG 3 23.273 16.719 11.085 490 HB3 ARG 3 1HB ARG 3 21.696 16.737 10.311 491 HG2 ARG 3 2HG ARG 3 20.923 18.468 11.760 492 HG3 ARG 3 1HG ARG 3 22.374 18.348 12.761 493 HD2 ARG 3 2HD ARG 3 22.317 19.159 9.858 494 HD3 ARG 3 1HD ARG 3 22.454 20.273 11.222 495 HE ARG 3 HE ARG 3 24.525 18.670 11.686 496 HH11 ARG 3 1HH1 ARG 3 23.520 20.320 8.745 497 HH12 ARG 3 2HH1 ARG 3 25.107 20.278 8.038 498 HH21 ARG 3 1HH2 ARG 3 26.612 18.664 10.767 499 HH22 ARG 3 2HH2 ARG 3 26.848 19.311 9.170 500 HA PRO 4 HA PRO 4 22.134 11.602 11.693 501 HB2 PRO 4 2HB PRO 4 19.577 10.595 11.570 502 HB3 PRO 4 1HB PRO 4 20.535 10.728 13.047 503 HG2 PRO 4 2HG PRO 4 18.366 12.493 12.026 504 HG3 PRO 4 1HG PRO 4 18.740 12.015 13.690 505 HD2 PRO 4 2HD PRO 4 19.384 14.447 12.673 506 HD3 PRO 4 1HD PRO 4 20.344 13.642 13.931 507 H TYR 5 H TYR 5 22.901 12.105 9.668 508 HA TYR 5 HA TYR 5 23.052 12.061 7.432 509 HB2 TYR 5 2HB TYR 5 20.670 10.256 7.794 510 HB3 TYR 5 1HB TYR 5 21.396 10.557 6.217 511 HD1 TYR 5 1HD TYR 5 21.956 9.061 9.545 512 HD2 TYR 5 2HD TYR 5 23.477 9.568 5.603 513 HE1 TYR 5 1HE TYR 5 23.622 7.302 9.967 514 HE2 TYR 5 2HE TYR 5 25.148 7.812 6.014 515 HH TYR 5 HH TYR 5 26.264 6.729 7.837 516 H LYS 6 H LYS 6 19.581 11.829 7.047 517 HA LYS 6 HA LYS 6 19.751 14.359 5.583 518 HB2 LYS 6 2HB LYS 6 17.728 12.130 5.370 519 HB3 LYS 6 1HB LYS 6 17.721 13.602 4.405 520 HG2 LYS 6 2HG LYS 6 19.913 12.990 3.488 521 HG3 LYS 6 1HG LYS 6 19.869 11.491 4.420 522 HD2 LYS 6 2HD LYS 6 17.825 10.829 3.230 523 HD3 LYS 6 1HD LYS 6 17.905 12.318 2.283 524 HE2 LYS 6 2HE LYS 6 20.079 11.629 1.396 525 HE3 LYS 6 1HE LYS 6 19.989 10.140 2.335 526 HZ1 LYS 6 3HZ LYS 6 17.902 9.640 1.091 527 HZ2 LYS 6 1HZ LYS 6 19.309 9.644 0.140 528 HZ3 LYS 6 2HZ LYS 6 18.240 10.959 0.082 529 H LEU 7 H LEU 7 17.829 12.739 8.079 530 HA LEU 7 HA LEU 7 16.720 15.319 8.812 531 HB2 LEU 7 2HB LEU 7 15.152 14.435 7.124 532 HB3 LEU 7 1HB LEU 7 14.929 12.996 8.101 533 HG LEU 7 HG LEU 7 13.937 14.374 9.893 534 HD11 LEU 7 1HD1 LEU 7 13.335 16.698 9.450 535 HD12 LEU 7 2HD1 LEU 7 14.188 16.633 7.908 536 HD13 LEU 7 3HD1 LEU 7 15.085 16.476 9.416 537 HD21 LEU 7 3HD2 LEU 7 11.833 14.839 8.756 538 HD22 LEU 7 1HD2 LEU 7 12.514 13.305 8.221 539 HD23 LEU 7 2HD2 LEU 7 12.642 14.733 7.192 540 H LEU 8 H LEU 8 15.309 12.212 9.659 541 HA LEU 8 HA LEU 8 16.608 12.271 12.281 542 HB2 LEU 8 2HB LEU 8 13.618 12.308 11.842 543 HB3 LEU 8 1HB LEU 8 14.373 11.914 13.373 544 HG LEU 8 HG LEU 8 14.655 14.569 11.961 545 HD11 LEU 8 1HD1 LEU 8 12.364 14.231 12.669 546 HD12 LEU 8 2HD1 LEU 8 13.151 15.414 13.714 547 HD13 LEU 8 3HD1 LEU 8 12.905 13.761 14.281 548 HD21 LEU 8 3HD2 LEU 8 16.552 14.044 13.391 549 HD22 LEU 8 1HD2 LEU 8 15.464 13.669 14.727 550 HD23 LEU 8 2HD2 LEU 8 15.571 15.319 14.115 551 H ASN 9 H ASN 9 17.240 10.521 10.348 552 HA ASN 9 HA ASN 9 17.381 8.343 9.728 553 HB2 ASN 9 2HB ASN 9 16.180 7.868 12.467 554 HB3 ASN 9 1HB ASN 9 16.890 6.621 11.451 555 HD21 ASN 9 1HD2 ASN 9 19.137 6.653 11.072 556 HD22 ASN 9 2HD2 ASN 9 20.210 7.487 12.148 557 H GLY 10 H GLY 10 14.996 9.850 9.044 558 HA2 GLY 10 2HA GLY 10 13.327 7.682 8.177 559 HA3 GLY 10 1HA GLY 10 12.570 8.690 9.401 560 H ILE 11 H ILE 11 11.873 8.250 6.611 561 HA ILE 11 HA ILE 11 12.061 11.012 5.584 562 HB ILE 11 HB ILE 11 11.924 8.506 3.886 563 HG12 ILE 11 2HG1 ILE 11 14.067 8.568 5.074 564 HG13 ILE 11 1HG1 ILE 11 14.287 8.860 3.352 565 HG21 ILE 11 1HG2 ILE 11 12.605 10.037 2.061 566 HG22 ILE 11 2HG2 ILE 11 12.438 11.388 3.182 567 HG23 ILE 11 3HG2 ILE 11 11.028 10.421 2.748 568 HD11 ILE 11 3HD1 ILE 11 15.693 10.329 4.679 569 HD12 ILE 11 1HD1 ILE 11 14.270 10.963 5.507 570 HD13 ILE 11 2HD1 ILE 11 14.487 11.253 3.781 571 H LYS 12 H LYS 12 10.194 11.521 4.089 572 HA LYS 12 HA LYS 12 7.761 10.584 5.430 573 HB2 LYS 12 2HB LYS 12 8.179 12.975 5.510 574 HB3 LYS 12 1HB LYS 12 8.342 13.041 3.763 575 HG2 LYS 12 2HG LYS 12 6.219 13.902 4.232 576 HG3 LYS 12 1HG LYS 12 5.933 12.262 3.653 577 HD2 LYS 12 2HD LYS 12 5.727 11.495 5.981 578 HD3 LYS 12 1HD LYS 12 5.984 13.153 6.537 579 HE2 LYS 12 2HE LYS 12 3.986 13.796 5.137 580 HE3 LYS 12 1HE LYS 12 3.679 12.073 4.933 581 HZ1 LYS 12 3HZ LYS 12 3.758 13.547 7.512 582 HZ2 LYS 12 1HZ LYS 12 3.531 11.872 7.362 583 HZ3 LYS 12 2HZ LYS 12 2.372 12.944 6.742 584 H LEU 13 H LEU 13 6.092 9.681 4.368 585 HA LEU 13 HA LEU 13 6.086 9.601 1.456 586 HB2 LEU 13 2HB LEU 13 5.647 7.175 1.437 587 HB3 LEU 13 1HB LEU 13 7.249 7.569 2.029 588 HG LEU 13 HG LEU 13 5.004 7.057 3.954 589 HD11 LEU 13 1HD1 LEU 13 5.658 4.714 4.023 590 HD12 LEU 13 2HD1 LEU 13 6.798 4.981 2.705 591 HD13 LEU 13 3HD1 LEU 13 5.066 5.151 2.420 592 HD21 LEU 13 3HD2 LEU 13 6.850 6.378 5.404 593 HD22 LEU 13 1HD2 LEU 13 7.088 8.024 4.813 594 HD23 LEU 13 2HD2 LEU 13 7.998 6.688 4.101 595 H GLY 14 H GLY 14 4.025 8.725 0.606 596 HA2 GLY 14 2HA GLY 14 1.778 8.835 2.467 597 HA3 GLY 14 1HA GLY 14 1.839 10.083 1.235 598 H VAL 15 H VAL 15 0.315 7.381 1.929 599 HA VAL 15 HA VAL 15 0.401 6.266 -0.797 600 HB VAL 15 HB VAL 15 -0.569 4.925 1.747 601 HG11 VAL 15 1HG1 VAL 15 -0.587 2.870 0.437 602 HG12 VAL 15 2HG1 VAL 15 -0.139 3.779 -1.006 603 HG13 VAL 15 3HG1 VAL 15 -1.699 4.066 -0.232 604 HG21 VAL 15 3HG2 VAL 15 1.816 5.247 1.845 605 HG22 VAL 15 1HG2 VAL 15 2.003 4.575 0.224 606 HG23 VAL 15 2HG2 VAL 15 1.458 3.545 1.549 607 H TYR 16 H TYR 16 -1.581 5.760 -1.859 608 HA TYR 16 HA TYR 16 -3.991 7.005 -0.688 609 HB2 TYR 16 2HB TYR 16 -2.972 6.889 -3.472 610 HB3 TYR 16 1HB TYR 16 -4.704 6.653 -3.263 611 HD1 TYR 16 2HD TYR 16 -5.383 8.447 -1.131 612 HD2 TYR 16 1HD TYR 16 -2.681 9.032 -4.353 613 HE1 TYR 16 2HE TYR 16 -5.751 10.854 -0.975 614 HE2 TYR 16 1HE TYR 16 -3.051 11.463 -4.227 615 HH TYR 16 HH TYR 16 -4.965 12.994 -3.371 616 H ILE 17 H ILE 17 -5.558 5.602 -0.071 617 HA ILE 17 HA ILE 17 -5.837 3.161 -1.659 618 HB ILE 17 HB ILE 17 -6.166 1.725 0.225 619 HG12 ILE 17 2HG1 ILE 17 -5.548 4.105 1.991 620 HG13 ILE 17 1HG1 ILE 17 -7.116 3.311 1.837 621 HG21 ILE 17 1HG2 ILE 17 -3.893 1.696 1.151 622 HG22 ILE 17 2HG2 ILE 17 -3.612 3.301 0.478 623 HG23 ILE 17 3HG2 ILE 17 -3.911 1.933 -0.595 624 HD11 ILE 17 3HD1 ILE 17 -5.970 1.190 2.597 625 HD12 ILE 17 1HD1 ILE 17 -6.148 2.465 3.812 626 HD13 ILE 17 2HD1 ILE 17 -4.592 2.207 3.022 627 HA PRO 18 HA PRO 18 -10.030 3.930 -2.017 628 HB2 PRO 18 2HB PRO 18 -10.797 1.177 -1.372 629 HB3 PRO 18 1HB PRO 18 -10.888 2.045 -2.907 630 HG2 PRO 18 2HG PRO 18 -9.103 0.075 -2.472 631 HG3 PRO 18 1HG PRO 18 -8.751 1.463 -3.517 632 HD2 PRO 18 2HD PRO 18 -7.865 0.927 -0.708 633 HD3 PRO 18 1HD PRO 18 -6.969 1.649 -2.062 634 H GLN 19 H GLN 19 -12.306 3.438 -1.193 635 HA GLN 19 HA GLN 19 -12.554 4.608 1.329 636 HB2 GLN 19 2HB GLN 19 -14.995 4.098 1.068 637 HB3 GLN 19 1HB GLN 19 -14.268 4.948 -0.288 638 HG2 GLN 19 2HG GLN 19 -14.175 2.896 -1.569 639 HG3 GLN 19 1HG GLN 19 -14.788 1.983 -0.195 640 HE21 GLN 19 1HE2 GLN 19 -16.951 2.133 0.359 641 HE22 GLN 19 2HE2 GLN 19 -18.135 2.799 -0.728 642 H GLU 20 H GLU 20 -13.494 1.288 0.393 643 HA GLU 20 HA GLU 20 -14.321 0.486 2.931 644 HB2 GLU 20 2HB GLU 20 -13.297 -1.210 0.652 645 HB3 GLU 20 1HB GLU 20 -14.165 -1.818 2.054 646 HG2 GLU 20 2HG GLU 20 -15.197 -0.001 -0.099 647 HG3 GLU 20 1HG GLU 20 -15.708 -1.648 0.267 648 H TRP 21 H TRP 21 -11.172 0.884 1.711 649 HA TRP 21 HA TRP 21 -9.882 -0.984 3.470 650 HB2 TRP 21 2HB TRP 21 -8.970 1.216 1.639 651 HB3 TRP 21 1HB TRP 21 -7.852 0.487 2.786 652 HD1 TRP 21 HD TRP 21 -10.420 -1.575 0.752 653 HE1 TRP 21 1HE TRP 21 -9.077 -3.147 -0.799 654 HE3 TRP 21 3HE TRP 21 -5.759 0.175 1.734 655 HZ2 TRP 21 2HZ TRP 21 -6.350 -3.553 -1.505 656 HZ3 TRP 21 3HZ TRP 21 -3.846 -0.820 0.591 657 HH2 TRP 21 HH TRP 21 -4.121 -2.632 -0.976 658 H HIS 22 H HIS 22 -9.999 2.551 3.179 659 HA HIS 22 HA HIS 22 -8.698 3.162 5.559 660 HB2 HIS 22 2HB HIS 22 -9.290 4.740 3.674 661 HB3 HIS 22 1HB HIS 22 -10.927 4.788 4.329 662 HD1 HIS 22 1HD HIS 22 -11.335 6.279 6.355 663 HD2 HIS 22 2HD HIS 22 -7.326 5.976 5.300 664 HE1 HIS 22 1HE HIS 22 -10.138 8.031 7.706 665 HE2 HIS 22 2HE HIS 22 -7.771 7.993 6.856 666 H ASP 23 H ASP 23 -12.124 2.614 4.899 667 HA ASP 23 HA ASP 23 -13.119 3.370 7.412 668 HB2 ASP 23 2HB ASP 23 -14.498 3.058 5.378 669 HB3 ASP 23 1HB ASP 23 -14.263 1.317 5.510 670 H ARG 24 H ARG 24 -12.363 0.093 6.177 671 HA ARG 24 HA ARG 24 -13.062 -1.140 8.661 672 HB2 ARG 24 2HB ARG 24 -11.457 -2.255 6.351 673 HB3 ARG 24 1HB ARG 24 -12.119 -3.192 7.679 674 HG2 ARG 24 2HG ARG 24 -13.685 -1.695 5.593 675 HG3 ARG 24 1HG ARG 24 -13.481 -3.442 5.705 676 HD2 ARG 24 2HD ARG 24 -14.561 -3.274 7.994 677 HD3 ARG 24 1HD ARG 24 -14.997 -1.621 7.559 678 HE ARG 24 HE ARG 24 -16.171 -4.061 6.567 679 HH11 ARG 24 1HH1 ARG 24 -15.742 -0.622 5.956 680 HH12 ARG 24 2HH1 ARG 24 -17.061 -0.548 4.832 681 HH21 ARG 24 1HH2 ARG 24 -17.906 -3.928 5.127 682 HH22 ARG 24 2HH2 ARG 24 -18.299 -2.410 4.379 683 H LEU 25 H LEU 25 -10.073 -0.076 7.156 684 HA LEU 25 HA LEU 25 -8.325 -1.219 9.056 685 HB2 LEU 25 2HB LEU 25 -8.027 1.059 7.119 686 HB3 LEU 25 1HB LEU 25 -6.730 0.591 8.207 687 HG LEU 25 HG LEU 25 -7.977 -1.111 6.044 688 HD11 LEU 25 1HD1 LEU 25 -6.457 0.612 5.226 689 HD12 LEU 25 2HD1 LEU 25 -5.772 -1.000 5.020 690 HD13 LEU 25 3HD1 LEU 25 -5.206 0.038 6.329 691 HD21 LEU 25 3HD2 LEU 25 -5.775 -1.803 7.991 692 HD22 LEU 25 1HD2 LEU 25 -6.318 -2.799 6.640 693 HD23 LEU 25 2HD2 LEU 25 -7.405 -2.477 7.991 694 H MET 26 H MET 26 -10.109 1.827 8.978 695 HA MET 26 HA MET 26 -8.812 3.051 11.157 696 HB2 MET 26 2HB MET 26 -11.543 3.360 9.962 697 HB3 MET 26 1HB MET 26 -11.142 4.183 11.462 698 HG2 MET 26 2HG MET 26 -9.617 4.464 8.886 699 HG3 MET 26 1HG MET 26 -10.850 5.584 9.455 700 HE1 MET 26 3HE MET 26 -9.176 6.989 12.726 701 HE2 MET 26 1HE MET 26 -10.248 5.594 12.603 702 HE3 MET 26 2HE MET 26 -10.592 7.055 11.676 703 H GLU 27 H GLU 27 -11.566 0.817 11.024 704 HA GLU 27 HA GLU 27 -12.122 0.847 13.783 705 HB2 GLU 27 2HB GLU 27 -12.448 -1.435 11.827 706 HB3 GLU 27 1HB GLU 27 -13.165 -1.366 13.429 707 HG2 GLU 27 2HG GLU 27 -14.359 0.721 12.677 708 HG3 GLU 27 1HG GLU 27 -13.804 0.345 11.046 709 H ILE 28 H ILE 28 -10.048 -1.280 11.860 710 HA ILE 28 HA ILE 28 -9.141 -2.898 13.986 711 HB ILE 28 HB ILE 28 -7.775 -2.248 11.363 712 HG12 ILE 28 2HG1 ILE 28 -9.538 -4.592 12.111 713 HG13 ILE 28 1HG1 ILE 28 -10.058 -3.212 11.150 714 HG21 ILE 28 1HG2 ILE 28 -6.591 -4.385 11.700 715 HG22 ILE 28 2HG2 ILE 28 -7.307 -4.505 13.308 716 HG23 ILE 28 3HG2 ILE 28 -6.193 -3.189 12.933 717 HD11 ILE 28 3HD1 ILE 28 -7.917 -5.188 10.401 718 HD12 ILE 28 1HD1 ILE 28 -8.413 -3.797 9.437 719 HD13 ILE 28 2HD1 ILE 28 -9.549 -5.113 9.741 720 H ALA 29 H ALA 29 -8.144 0.182 12.736 721 HA ALA 29 HA ALA 29 -5.567 0.361 13.819 722 HB1 ALA 29 1HB ALA 29 -7.527 2.583 13.244 723 HB2 ALA 29 2HB ALA 29 -6.388 1.879 12.095 724 HB3 ALA 29 3HB ALA 29 -5.791 2.773 13.494 725 H LYS 30 H LYS 30 -8.730 1.233 15.178 726 HA LYS 30 HA LYS 30 -7.511 2.364 17.532 727 HB2 LYS 30 2HB LYS 30 -10.405 1.603 17.147 728 HB3 LYS 30 1HB LYS 30 -9.752 2.720 18.339 729 HG2 LYS 30 2HG LYS 30 -8.905 4.024 16.244 730 HG3 LYS 30 1HG LYS 30 -10.166 3.111 15.414 731 HD2 LYS 30 2HD LYS 30 -10.561 4.875 17.830 732 HD3 LYS 30 1HD LYS 30 -10.980 5.295 16.170 733 HE2 LYS 30 2HE LYS 30 -12.631 3.542 16.095 734 HE3 LYS 30 1HE LYS 30 -12.139 2.960 17.686 735 HZ1 LYS 30 3HZ LYS 30 -14.151 4.299 17.812 736 HZ2 LYS 30 1HZ LYS 30 -13.340 5.621 17.115 737 HZ3 LYS 30 2HZ LYS 30 -12.875 5.052 18.642 738 H GLU 31 H GLU 31 -8.850 -0.694 16.575 739 HA GLU 31 HA GLU 31 -9.177 -1.839 19.112 740 HB2 GLU 31 2HB GLU 31 -8.463 -3.212 16.515 741 HB3 GLU 31 1HB GLU 31 -9.073 -4.010 17.956 742 HG2 GLU 31 2HG GLU 31 -11.171 -2.816 17.757 743 HG3 GLU 31 1HG GLU 31 -10.560 -1.954 16.344 744 H LYS 32 H LYS 32 -6.433 -1.864 16.868 745 HA LYS 32 HA LYS 32 -4.837 -3.338 18.817 746 HB2 LYS 32 2HB LYS 32 -4.459 -2.771 15.886 747 HB3 LYS 32 1HB LYS 32 -3.157 -3.413 16.876 748 HG2 LYS 32 2HG LYS 32 -4.098 -5.298 15.903 749 HG3 LYS 32 1HG LYS 32 -4.808 -5.265 17.514 750 HD2 LYS 32 2HD LYS 32 -6.808 -4.129 16.523 751 HD3 LYS 32 1HD LYS 32 -6.101 -4.406 14.928 752 HE2 LYS 32 2HE LYS 32 -6.051 -6.846 15.457 753 HE3 LYS 32 1HE LYS 32 -6.919 -6.492 16.949 754 HZ1 LYS 32 3HZ LYS 32 -8.565 -7.110 15.441 755 HZ2 LYS 32 1HZ LYS 32 -7.879 -6.240 14.161 756 HZ3 LYS 32 2HZ LYS 32 -8.652 -5.420 15.429 757 H ASN 33 H ASN 33 -5.441 -0.186 18.147 758 HA ASN 33 HA ASN 33 -4.508 1.770 18.811 759 HB2 ASN 33 2HB ASN 33 -2.700 -0.108 20.325 760 HB3 ASN 33 1HB ASN 33 -2.507 1.641 20.401 761 HD21 ASN 33 1HD2 ASN 33 -3.226 -0.311 22.475 762 HD22 ASN 33 2HD2 ASN 33 -4.724 0.264 23.134 763 H LEU 34 H LEU 34 -3.947 1.013 16.326 764 HA LEU 34 HA LEU 34 -1.211 2.009 15.895 765 HB2 LEU 34 2HB LEU 34 -2.594 -0.199 14.352 766 HB3 LEU 34 1HB LEU 34 -1.062 0.528 13.906 767 HG LEU 34 HG LEU 34 -1.537 -1.007 16.463 768 HD11 LEU 34 1HD1 LEU 34 -1.758 -2.445 14.491 769 HD12 LEU 34 2HD1 LEU 34 -0.293 -2.813 15.400 770 HD13 LEU 34 3HD1 LEU 34 -0.191 -1.882 13.906 771 HD21 LEU 34 3HD2 LEU 34 0.898 -0.985 16.634 772 HD22 LEU 34 1HD2 LEU 34 0.251 0.655 16.601 773 HD23 LEU 34 2HD2 LEU 34 1.001 -0.025 15.156 774 H THR 35 H THR 35 -1.003 2.985 13.643 775 HA THR 35 HA THR 35 -3.587 4.126 12.814 776 HB THR 35 HB THR 35 -2.325 5.848 11.631 777 HG1 THR 35 1HG THR 35 0.043 4.659 12.710 778 HG21 THR 35 3HG2 THR 35 -1.318 5.485 14.456 779 HG22 THR 35 1HG2 THR 35 -2.845 6.235 13.995 780 HG23 THR 35 2HG2 THR 35 -1.318 6.997 13.547 781 H LEU 36 H LEU 36 -3.978 4.326 10.488 782 HA LEU 36 HA LEU 36 -3.638 1.913 9.114 783 HB2 LEU 36 2HB LEU 36 -4.639 2.953 7.251 784 HB3 LEU 36 1HB LEU 36 -5.369 3.678 8.668 785 HG LEU 36 HG LEU 36 -3.154 4.998 7.098 786 HD11 LEU 36 1HD1 LEU 36 -6.137 5.347 6.855 787 HD12 LEU 36 2HD1 LEU 36 -5.063 4.650 5.641 788 HD13 LEU 36 3HD1 LEU 36 -4.918 6.355 6.072 789 HD21 LEU 36 3HD2 LEU 36 -3.434 5.823 9.383 790 HD22 LEU 36 1HD2 LEU 36 -5.154 6.086 9.081 791 HD23 LEU 36 2HD2 LEU 36 -3.949 7.030 8.203 792 H SER 37 H SER 37 -1.772 4.869 9.085 793 HA SER 37 HA SER 37 0.048 4.333 7.060 794 HB2 SER 37 2HB SER 37 0.622 5.681 9.714 795 HB3 SER 37 1HB SER 37 1.518 5.897 8.209 796 HG SER 37 HG SER 37 0.184 7.530 8.030 797 H ASP 38 H ASP 38 0.101 3.389 10.479 798 HA ASP 38 HA ASP 38 2.574 2.015 10.390 799 HB2 ASP 38 2HB ASP 38 0.219 1.649 12.255 800 HB3 ASP 38 1HB ASP 38 1.798 0.910 12.486 801 H VAL 39 H VAL 39 -0.789 0.915 10.113 802 HA VAL 39 HA VAL 39 -0.245 -1.833 10.027 803 HB VAL 39 HB VAL 39 -2.539 -0.369 8.706 804 HG11 VAL 39 1HG1 VAL 39 -3.743 -2.495 8.918 805 HG12 VAL 39 2HG1 VAL 39 -2.272 -3.258 9.525 806 HG13 VAL 39 3HG1 VAL 39 -2.329 -2.638 7.874 807 HG21 VAL 39 3HG2 VAL 39 -2.364 0.143 11.087 808 HG22 VAL 39 1HG2 VAL 39 -2.349 -1.581 11.461 809 HG23 VAL 39 2HG2 VAL 39 -3.783 -0.844 10.747 810 H CYS 40 H CYS 40 -0.309 0.591 7.461 811 HA CYS 40 HA CYS 40 -0.173 -1.236 5.311 812 HB2 CYS 40 2HB CYS 40 -0.704 1.362 5.390 813 HB3 CYS 40 1HB CYS 40 1.008 1.498 5.033 814 HG CYS 40 HG CYS 40 0.008 -0.658 2.929 815 H ARG 41 H ARG 41 2.466 0.844 6.618 816 HA ARG 41 HA ARG 41 4.547 -0.445 5.325 817 HB2 ARG 41 2HB ARG 41 6.036 0.566 6.987 818 HB3 ARG 41 1HB ARG 41 4.842 1.711 6.398 819 HG2 ARG 41 2HG ARG 41 3.631 1.648 8.410 820 HG3 ARG 41 1HG ARG 41 4.471 0.195 8.961 821 HD2 ARG 41 2HD ARG 41 6.521 1.425 9.216 822 HD3 ARG 41 1HD ARG 41 5.792 2.873 8.522 823 HE ARG 41 HE ARG 41 4.213 2.605 10.568 824 HH11 ARG 41 1HH1 ARG 41 7.659 1.948 10.524 825 HH12 ARG 41 2HH1 ARG 41 7.884 2.355 12.198 826 HH21 ARG 41 1HH2 ARG 41 4.498 3.149 12.748 827 HH22 ARG 41 2HH2 ARG 41 6.086 3.045 13.469 828 H LEU 42 H LEU 42 3.044 -1.275 8.438 829 HA LEU 42 HA LEU 42 5.012 -3.208 9.143 830 HB2 LEU 42 2HB LEU 42 2.138 -2.949 10.044 831 HB3 LEU 42 1HB LEU 42 3.310 -4.045 10.751 832 HG LEU 42 HG LEU 42 3.477 -1.031 10.770 833 HD11 LEU 42 1HD1 LEU 42 1.744 -1.880 12.248 834 HD12 LEU 42 2HD1 LEU 42 3.109 -1.274 13.183 835 HD13 LEU 42 3HD1 LEU 42 2.888 -3.010 12.970 836 HD21 LEU 42 3HD2 LEU 42 5.391 -1.361 12.266 837 HD22 LEU 42 1HD2 LEU 42 5.684 -2.048 10.667 838 HD23 LEU 42 2HD2 LEU 42 5.276 -3.103 12.019 839 H ALA 43 H ALA 43 2.216 -3.226 7.118 840 HA ALA 43 HA ALA 43 2.071 -6.061 6.831 841 HB1 ALA 43 1HB ALA 43 1.049 -3.901 5.001 842 HB2 ALA 43 2HB ALA 43 0.164 -4.615 6.349 843 HB3 ALA 43 3HB ALA 43 0.603 -5.607 4.958 844 H ILE 44 H ILE 44 3.983 -3.518 5.383 845 HA ILE 44 HA ILE 44 4.981 -5.043 3.198 846 HB ILE 44 HB ILE 44 6.417 -2.843 4.705 847 HG12 ILE 44 2HG1 ILE 44 4.644 -2.682 2.258 848 HG13 ILE 44 1HG1 ILE 44 4.259 -2.055 3.857 849 HG21 ILE 44 1HG2 ILE 44 7.708 -2.578 2.640 850 HG22 ILE 44 2HG2 ILE 44 6.849 -3.946 1.929 851 HG23 ILE 44 3HG2 ILE 44 7.898 -4.193 3.327 852 HD11 ILE 44 3HD1 ILE 44 6.506 -1.092 2.095 853 HD12 ILE 44 1HD1 ILE 44 6.094 -0.464 3.692 854 HD13 ILE 44 2HD1 ILE 44 4.963 -0.276 2.352 855 H LYS 45 H LYS 45 5.934 -4.590 6.547 856 HA LYS 45 HA LYS 45 8.212 -6.185 6.604 857 HB2 LYS 45 2HB LYS 45 7.590 -4.803 8.494 858 HB3 LYS 45 1HB LYS 45 6.101 -5.708 8.714 859 HG2 LYS 45 2HG LYS 45 7.733 -6.316 10.394 860 HG3 LYS 45 1HG LYS 45 7.396 -7.686 9.337 861 HD2 LYS 45 2HD LYS 45 9.448 -7.320 8.131 862 HD3 LYS 45 1HD LYS 45 9.761 -5.841 9.044 863 HE2 LYS 45 2HE LYS 45 9.958 -7.130 11.096 864 HE3 LYS 45 1HE LYS 45 9.585 -8.615 10.219 865 HZ1 LYS 45 3HZ LYS 45 11.607 -8.495 9.053 866 HZ2 LYS 45 1HZ LYS 45 12.007 -8.159 10.667 867 HZ3 LYS 45 2HZ LYS 45 11.903 -6.898 9.537 868 H GLU 46 H GLU 46 4.803 -7.014 6.887 869 HA GLU 46 HA GLU 46 5.148 -9.796 7.347 870 HB2 GLU 46 2HB GLU 46 3.078 -8.496 7.865 871 HB3 GLU 46 1HB GLU 46 2.792 -8.314 6.143 872 HG2 GLU 46 2HG GLU 46 1.402 -10.053 6.662 873 HG3 GLU 46 1HG GLU 46 2.848 -10.911 6.130 874 H TYR 47 H TYR 47 4.785 -7.757 4.543 875 HA TYR 47 HA TYR 47 4.404 -9.707 2.579 876 HB2 TYR 47 2HB TYR 47 4.009 -7.266 2.300 877 HB3 TYR 47 1HB TYR 47 5.747 -7.008 2.319 878 HD1 TYR 47 2HD TYR 47 7.127 -7.759 0.398 879 HD2 TYR 47 1HD TYR 47 2.886 -8.071 0.354 880 HE1 TYR 47 2HE TYR 47 7.178 -8.044 -2.044 881 HE2 TYR 47 1HE TYR 47 2.919 -8.350 -2.088 882 HH TYR 47 HH TYR 47 4.413 -7.789 -3.985 883 H LEU 48 H LEU 48 7.350 -8.098 3.740 884 HA LEU 48 HA LEU 48 9.143 -9.523 2.078 885 HB2 LEU 48 2HB LEU 48 9.691 -8.283 4.775 886 HB3 LEU 48 1HB LEU 48 10.887 -8.702 3.565 887 HG LEU 48 HG LEU 48 8.776 -6.558 3.295 888 HD11 LEU 48 1HD1 LEU 48 10.549 -5.958 4.854 889 HD12 LEU 48 2HD1 LEU 48 10.666 -5.014 3.370 890 HD13 LEU 48 3HD1 LEU 48 11.765 -6.365 3.645 891 HD21 LEU 48 3HD2 LEU 48 9.927 -5.973 1.218 892 HD22 LEU 48 1HD2 LEU 48 9.271 -7.609 1.150 893 HD23 LEU 48 2HD2 LEU 48 10.996 -7.359 1.417 894 H ASP 49 H ASP 49 8.021 -10.013 5.379 895 HA ASP 49 HA ASP 49 9.771 -12.060 6.127 896 HB2 ASP 49 2HB ASP 49 8.280 -10.694 7.629 897 HB3 ASP 49 1HB ASP 49 6.934 -11.697 7.103 898 H ASN 50 H ASN 50 6.470 -12.292 4.806 899 HA ASN 50 HA ASN 50 6.555 -15.172 4.897 900 HB2 ASN 50 2HB ASN 50 4.484 -13.241 3.864 901 HB3 ASN 50 1HB ASN 50 4.291 -14.992 3.797 902 HD21 ASN 50 1HD2 ASN 50 4.492 -12.209 5.835 903 HD22 ASN 50 2HD2 ASN 50 3.888 -12.953 7.275 904 H HIS 51 H HIS 51 7.554 -12.868 2.595 905 HA HIS 51 HA HIS 51 7.114 -14.679 0.356 906 HB2 HIS 51 2HB HIS 51 8.106 -11.858 0.568 907 HB3 HIS 51 1HB HIS 51 8.460 -12.797 -0.879 908 HD1 HIS 51 1HD HIS 51 6.864 -12.056 -2.641 909 HD2 HIS 51 2HD HIS 51 5.022 -12.421 1.074 910 HE1 HIS 51 1HE HIS 51 4.435 -11.566 -3.032 911 HE2 HIS 51 2HE HIS 51 3.318 -11.904 -0.801 912 H ASP 52 H ASP 52 9.785 -13.385 2.269 913 HA ASP 52 HA ASP 52 11.647 -15.178 0.911 914 HB2 ASP 52 2HB ASP 52 12.251 -12.795 1.635 915 HB3 ASP 52 1HB ASP 52 12.250 -13.407 3.287 916 H LYS 53 H LYS 53 10.614 -17.093 1.526 917 HA LYS 53 HA LYS 53 9.939 -17.630 4.259 918 HB2 LYS 53 2HB LYS 53 10.020 -19.573 1.947 919 HB3 LYS 53 1HB LYS 53 9.153 -19.768 3.463 920 HG2 LYS 53 2HG LYS 53 7.683 -17.913 2.871 921 HG3 LYS 53 1HG LYS 53 8.569 -17.688 1.361 922 HD2 LYS 53 2HD LYS 53 7.980 -20.030 0.746 923 HD3 LYS 53 1HD LYS 53 6.963 -20.101 2.185 924 HE2 LYS 53 2HE LYS 53 6.649 -18.151 -0.093 925 HE3 LYS 53 1HE LYS 53 5.673 -19.597 0.154 926 HZ1 LYS 53 3HZ LYS 53 4.528 -17.647 0.950 927 HZ2 LYS 53 1HZ LYS 53 5.819 -17.253 1.974 928 HZ3 LYS 53 2HZ LYS 53 4.907 -18.655 2.261 929 H GLN 54 H GLN 54 12.691 -18.143 2.278 930 HA GLN 54 HA GLN 54 14.704 -19.154 2.586 931 HB2 GLN 54 2HB GLN 54 13.852 -19.223 5.487 932 HB3 GLN 54 1HB GLN 54 15.469 -19.576 4.904 933 HG2 GLN 54 2HG GLN 54 15.649 -17.278 4.063 934 HG3 GLN 54 1HG GLN 54 14.042 -16.934 4.703 935 HE21 GLN 54 1HE2 GLN 54 16.624 -15.733 5.380 936 HE22 GLN 54 2HE2 GLN 54 16.837 -15.981 7.082 937 H LYS 55 H LYS 55 15.668 -21.221 3.920 938 HA LYS 55 HA LYS 55 13.638 -23.358 3.910 939 HB2 LYS 55 2HB LYS 55 16.523 -23.560 3.011 940 HB3 LYS 55 1HB LYS 55 15.459 -24.936 3.250 941 HG2 LYS 55 2HG LYS 55 13.945 -23.970 1.519 942 HG3 LYS 55 1HG LYS 55 15.190 -22.759 1.197 943 HD2 LYS 55 2HD LYS 55 15.390 -24.585 -0.384 944 HD3 LYS 55 1HD LYS 55 16.785 -24.572 0.696 945 HE2 LYS 55 2HE LYS 55 16.026 -26.841 0.402 946 HE3 LYS 55 1HE LYS 55 15.705 -26.327 2.058 947 HZ1 LYS 55 3HZ LYS 55 13.386 -25.790 1.262 948 HZ2 LYS 55 1HZ LYS 55 13.779 -27.440 1.314 949 HZ3 LYS 55 2HZ LYS 55 13.764 -26.622 -0.168 950 H LYS 56 H LYS 56 14.447 -21.637 5.987 951 HA LYS 56 HA LYS 56 15.368 -21.439 8.032 952 HB2 LYS 56 2HB LYS 56 14.864 -23.265 9.594 953 HB3 LYS 56 1HB LYS 56 13.496 -22.849 8.580 954 HG2 LYS 56 2HG LYS 56 13.589 -24.843 7.414 955 HG3 LYS 56 1HG LYS 56 15.277 -25.131 7.843 956 HD2 LYS 56 2HD LYS 56 12.894 -25.290 9.686 957 HD3 LYS 56 1HD LYS 56 13.851 -26.643 9.080 958 HE2 LYS 56 2HE LYS 56 14.755 -24.453 10.944 959 HE3 LYS 56 1HE LYS 56 14.553 -26.163 11.326 960 HZ1 LYS 56 3HZ LYS 56 16.523 -25.057 9.392 961 HZ2 LYS 56 1HZ LYS 56 16.349 -26.690 9.821 962 HZ3 LYS 56 2HZ LYS 56 16.879 -25.562 10.972 Start of MODEL 11 1 H1 GLY 2 1HT GLY 2 -20.961 13.610 -8.343 2 H2 GLY 2 2HT GLY 2 -21.546 14.554 -7.063 3 H3 GLY 2 3HT GLY 2 -21.483 12.865 -6.912 4 HA2 GLY 2 1HA GLY 2 -19.062 12.932 -7.057 5 HA3 GLY 2 2HA GLY 2 -19.155 14.688 -7.136 6 H ARG 3 H ARG 3 -17.764 13.199 -5.163 7 HA ARG 3 HA ARG 3 -17.380 13.220 -2.923 8 HB2 ARG 3 2HB ARG 3 -19.646 15.225 -2.828 9 HB3 ARG 3 1HB ARG 3 -18.496 14.913 -1.535 10 HG2 ARG 3 2HG ARG 3 -16.694 15.785 -2.816 11 HG3 ARG 3 1HG ARG 3 -17.695 15.875 -4.266 12 HD2 ARG 3 2HD ARG 3 -18.103 17.476 -1.737 13 HD3 ARG 3 1HD ARG 3 -17.380 18.072 -3.230 14 HE ARG 3 HE ARG 3 -20.085 16.985 -3.390 15 HH11 ARG 3 1HH1 ARG 3 -18.051 19.854 -3.300 16 HH12 ARG 3 2HH1 ARG 3 -19.288 20.896 -3.930 17 HH21 ARG 3 1HH2 ARG 3 -21.698 18.353 -4.222 18 HH22 ARG 3 2HH2 ARG 3 -21.366 20.048 -4.442 19 HA PRO 4 HA PRO 4 -20.866 10.210 -2.461 20 HB2 PRO 4 2HB PRO 4 -19.307 8.096 -1.784 21 HB3 PRO 4 1HB PRO 4 -19.622 8.567 -3.459 22 HG2 PRO 4 2HG PRO 4 -17.235 9.153 -1.743 23 HG3 PRO 4 1HG PRO 4 -17.295 8.637 -3.440 24 HD2 PRO 4 2HD PRO 4 -16.900 11.211 -2.716 25 HD3 PRO 4 1HD PRO 4 -17.766 10.758 -4.198 26 H TYR 5 H TYR 5 -18.196 11.006 -0.337 27 HA TYR 5 HA TYR 5 -19.956 10.640 1.980 28 HB2 TYR 5 2HB TYR 5 -17.077 9.736 2.107 29 HB3 TYR 5 1HB TYR 5 -18.359 9.447 3.271 30 HD1 TYR 5 1HD TYR 5 -20.160 7.775 2.710 31 HD2 TYR 5 2HD TYR 5 -16.659 8.246 0.341 32 HE1 TYR 5 1HE TYR 5 -20.541 5.559 1.710 33 HE2 TYR 5 2HE TYR 5 -17.037 6.042 -0.669 34 HH TYR 5 HH TYR 5 -18.155 3.977 -0.184 35 H LYS 6 H LYS 6 -16.546 11.338 1.406 36 HA LYS 6 HA LYS 6 -16.893 14.127 2.088 37 HB2 LYS 6 2HB LYS 6 -14.951 13.981 3.731 38 HB3 LYS 6 1HB LYS 6 -16.489 13.344 4.285 39 HG2 LYS 6 2HG LYS 6 -15.654 11.054 3.668 40 HG3 LYS 6 1HG LYS 6 -14.073 11.790 3.390 41 HD2 LYS 6 2HD LYS 6 -14.043 12.594 5.709 42 HD3 LYS 6 1HD LYS 6 -15.622 11.857 5.984 43 HE2 LYS 6 2HE LYS 6 -14.609 9.650 5.411 44 HE3 LYS 6 1HE LYS 6 -13.037 10.445 5.345 45 HZ1 LYS 6 3HZ LYS 6 -14.807 10.360 7.733 46 HZ2 LYS 6 1HZ LYS 6 -13.256 11.047 7.665 47 HZ3 LYS 6 2HZ LYS 6 -13.454 9.372 7.496 48 H LEU 7 H LEU 7 -14.385 11.648 1.570 49 HA LEU 7 HA LEU 7 -13.225 13.344 -0.519 50 HB2 LEU 7 2HB LEU 7 -12.183 10.929 0.953 51 HB3 LEU 7 1HB LEU 7 -11.430 11.505 -0.519 52 HG LEU 7 HG LEU 7 -10.155 12.337 1.305 53 HD11 LEU 7 1HD1 LEU 7 -10.481 13.911 -0.520 54 HD12 LEU 7 2HD1 LEU 7 -10.320 14.748 1.024 55 HD13 LEU 7 3HD1 LEU 7 -11.909 14.563 0.285 56 HD21 LEU 7 3HD2 LEU 7 -11.758 12.076 3.097 57 HD22 LEU 7 1HD2 LEU 7 -12.732 13.398 2.451 58 HD23 LEU 7 2HD2 LEU 7 -11.120 13.721 3.090 59 H LEU 8 H LEU 8 -12.307 11.807 -2.383 60 HA LEU 8 HA LEU 8 -14.737 10.664 -3.507 61 HB2 LEU 8 2HB LEU 8 -12.118 11.524 -4.712 62 HB3 LEU 8 1HB LEU 8 -13.294 10.603 -5.627 63 HG LEU 8 HG LEU 8 -14.953 12.439 -5.199 64 HD11 LEU 8 1HD1 LEU 8 -13.922 13.451 -3.244 65 HD12 LEU 8 2HD1 LEU 8 -14.089 14.633 -4.543 66 HD13 LEU 8 3HD1 LEU 8 -12.515 13.911 -4.204 67 HD21 LEU 8 3HD2 LEU 8 -12.427 13.154 -6.676 68 HD22 LEU 8 1HD2 LEU 8 -13.998 13.924 -6.891 69 HD23 LEU 8 2HD2 LEU 8 -13.785 12.224 -7.312 70 H ASN 9 H ASN 9 -14.418 8.843 -1.937 71 HA ASN 9 HA ASN 9 -14.052 6.636 -1.551 72 HB2 ASN 9 2HB ASN 9 -13.584 6.581 -4.538 73 HB3 ASN 9 1HB ASN 9 -13.853 5.164 -3.528 74 HD21 ASN 9 1HD2 ASN 9 -15.918 4.818 -2.639 75 HD22 ASN 9 2HD2 ASN 9 -17.321 5.596 -3.290 76 H GLY 10 H GLY 10 -11.747 8.490 -1.490 77 HA2 GLY 10 2HA GLY 10 -9.689 6.514 -1.128 78 HA3 GLY 10 1HA GLY 10 -9.385 7.599 -2.482 79 H ILE 11 H ILE 11 -8.016 7.272 0.158 80 HA ILE 11 HA ILE 11 -8.374 10.029 1.157 81 HB ILE 11 HB ILE 11 -7.694 7.729 2.979 82 HG12 ILE 11 2HG1 ILE 11 -9.936 7.329 1.962 83 HG13 ILE 11 1HG1 ILE 11 -9.995 7.592 3.701 84 HG21 ILE 11 1HG2 ILE 11 -8.410 9.284 4.731 85 HG22 ILE 11 2HG2 ILE 11 -8.767 10.498 3.502 86 HG23 ILE 11 3HG2 ILE 11 -7.106 9.959 3.753 87 HD11 ILE 11 3HD1 ILE 11 -11.819 8.734 2.580 88 HD12 ILE 11 1HD1 ILE 11 -10.669 9.615 1.576 89 HD13 ILE 11 2HD1 ILE 11 -10.716 9.900 3.315 90 H LYS 12 H LYS 12 -6.478 11.036 1.929 91 HA LYS 12 HA LYS 12 -4.026 9.814 0.877 92 HB2 LYS 12 2HB LYS 12 -4.686 12.056 0.030 93 HB3 LYS 12 1HB LYS 12 -4.561 12.689 1.663 94 HG2 LYS 12 2HG LYS 12 -2.569 13.309 0.598 95 HG3 LYS 12 1HG LYS 12 -2.138 11.934 1.614 96 HD2 LYS 12 2HD LYS 12 -2.249 10.452 -0.316 97 HD3 LYS 12 1HD LYS 12 -2.742 11.801 -1.340 98 HE2 LYS 12 2HE LYS 12 -0.587 12.928 -0.734 99 HE3 LYS 12 1HE LYS 12 -0.104 11.435 0.067 100 HZ1 LYS 12 3HZ LYS 12 0.811 11.517 -2.142 101 HZ2 LYS 12 1HZ LYS 12 -0.723 11.760 -2.827 102 HZ3 LYS 12 2HZ LYS 12 -0.353 10.284 -2.080 103 H LEU 13 H LEU 13 -2.634 8.989 2.219 104 HA LEU 13 HA LEU 13 -2.518 9.976 4.987 105 HB2 LEU 13 2HB LEU 13 -1.807 7.547 5.513 106 HB3 LEU 13 1HB LEU 13 -3.508 7.912 5.326 107 HG LEU 13 HG LEU 13 -1.956 6.874 2.981 108 HD11 LEU 13 1HD1 LEU 13 -1.437 5.360 4.827 109 HD12 LEU 13 2HD1 LEU 13 -2.512 4.594 3.656 110 HD13 LEU 13 3HD1 LEU 13 -3.157 5.198 5.182 111 HD21 LEU 13 3HD2 LEU 13 -4.828 6.586 3.879 112 HD22 LEU 13 1HD2 LEU 13 -4.144 5.937 2.389 113 HD23 LEU 13 2HD2 LEU 13 -4.244 7.684 2.625 114 H GLY 14 H GLY 14 -0.397 9.388 6.051 115 HA2 GLY 14 2HA GLY 14 1.806 9.286 4.119 116 HA3 GLY 14 1HA GLY 14 1.661 10.725 5.115 117 H VAL 15 H VAL 15 3.618 8.390 4.881 118 HA VAL 15 HA VAL 15 3.620 7.599 7.728 119 HB VAL 15 HB VAL 15 4.945 5.996 5.544 120 HG11 VAL 15 1HG1 VAL 15 3.902 5.231 8.269 121 HG12 VAL 15 2HG1 VAL 15 5.591 5.502 7.842 122 HG13 VAL 15 3HG1 VAL 15 4.707 4.152 7.129 123 HG21 VAL 15 3HG2 VAL 15 2.623 6.169 4.869 124 HG22 VAL 15 1HG2 VAL 15 2.094 5.686 6.481 125 HG23 VAL 15 2HG2 VAL 15 2.964 4.543 5.458 126 H TYR 16 H TYR 16 5.817 7.186 8.604 127 HA TYR 16 HA TYR 16 7.974 8.489 7.087 128 HB2 TYR 16 2HB TYR 16 7.115 8.946 9.881 129 HB3 TYR 16 1HB TYR 16 8.851 8.812 9.614 130 HD1 TYR 16 1HD TYR 16 9.646 10.174 7.439 131 HD2 TYR 16 2HD TYR 16 6.248 11.084 9.820 132 HE1 TYR 16 1HE TYR 16 9.744 12.490 6.657 133 HE2 TYR 16 2HE TYR 16 6.333 13.417 9.052 134 HH TYR 16 HH TYR 16 8.344 14.444 6.456 135 H ILE 17 H ILE 17 9.335 6.980 6.473 136 HA ILE 17 HA ILE 17 9.858 4.740 8.317 137 HB ILE 17 HB ILE 17 10.145 3.257 6.394 138 HG12 ILE 17 2HG1 ILE 17 9.182 5.607 4.741 139 HG13 ILE 17 1HG1 ILE 17 10.811 4.937 4.717 140 HG21 ILE 17 1HG2 ILE 17 7.778 3.090 5.756 141 HG22 ILE 17 2HG2 ILE 17 7.493 4.696 6.428 142 HG23 ILE 17 3HG2 ILE 17 7.979 3.370 7.486 143 HD11 ILE 17 3HD1 ILE 17 8.309 3.467 3.908 144 HD12 ILE 17 1HD1 ILE 17 9.960 2.852 3.822 145 HD13 ILE 17 2HD1 ILE 17 9.472 4.209 2.804 146 HA PRO 18 HA PRO 18 14.004 5.936 8.253 147 HB2 PRO 18 2HB PRO 18 15.287 3.584 8.676 148 HB3 PRO 18 1HB PRO 18 14.343 4.407 9.924 149 HG2 PRO 18 2HG PRO 18 13.569 2.119 8.158 150 HG3 PRO 18 1HG PRO 18 13.273 2.343 9.892 151 HD2 PRO 18 2HD PRO 18 11.370 2.813 8.023 152 HD3 PRO 18 1HD PRO 18 11.473 3.744 9.535 153 H GLN 19 H GLN 19 16.209 5.361 7.401 154 HA GLN 19 HA GLN 19 16.326 5.701 4.679 155 HB2 GLN 19 2HB GLN 19 18.259 6.315 5.754 156 HB3 GLN 19 1HB GLN 19 18.263 4.895 6.789 157 HG2 GLN 19 2HG GLN 19 20.122 4.766 5.310 158 HG3 GLN 19 1HG GLN 19 18.941 3.532 4.858 159 HE21 GLN 19 1HE2 GLN 19 18.507 6.908 4.100 160 HE22 GLN 19 2HE2 GLN 19 18.736 6.769 2.392 161 H GLU 20 H GLU 20 17.434 2.712 6.255 162 HA GLU 20 HA GLU 20 17.750 1.091 4.096 163 HB2 GLU 20 2HB GLU 20 16.610 0.206 6.744 164 HB3 GLU 20 1HB GLU 20 17.484 -0.794 5.592 165 HG2 GLU 20 2HG GLU 20 19.512 0.420 5.986 166 HG3 GLU 20 1HG GLU 20 18.664 1.584 7.006 167 H TRP 21 H TRP 21 14.714 2.087 5.446 168 HA TRP 21 HA TRP 21 13.200 -0.078 4.301 169 HB2 TRP 21 2HB TRP 21 12.809 1.962 6.255 170 HB3 TRP 21 1HB TRP 21 11.561 2.140 5.027 171 HD1 TRP 21 HD TRP 21 13.001 -0.780 7.171 172 HE1 TRP 21 1HE TRP 21 11.012 -2.243 7.907 173 HE3 TRP 21 3HE TRP 21 9.261 1.709 4.778 174 HZ2 TRP 21 2HZ TRP 21 8.200 -2.312 7.516 175 HZ3 TRP 21 3HZ TRP 21 6.959 0.903 5.005 176 HH2 TRP 21 HH TRP 21 6.429 -1.058 6.345 177 H HIS 22 H HIS 22 13.423 3.428 3.843 178 HA HIS 22 HA HIS 22 11.799 3.545 1.545 179 HB2 HIS 22 2HB HIS 22 12.397 5.484 3.002 180 HB3 HIS 22 1HB HIS 22 14.031 5.432 2.345 181 HD1 HIS 22 1HD HIS 22 14.444 6.683 0.211 182 HD2 HIS 22 2HD HIS 22 10.393 6.218 1.047 183 HE1 HIS 22 1HE HIS 22 13.229 8.126 -1.459 184 HE2 HIS 22 2HE HIS 22 10.805 8.019 -0.763 185 H ASP 23 H ASP 23 15.279 3.196 1.988 186 HA ASP 23 HA ASP 23 16.044 3.524 -0.692 187 HB2 ASP 23 2HB ASP 23 17.646 3.704 1.110 188 HB3 ASP 23 1HB ASP 23 17.394 2.017 1.548 189 H ARG 24 H ARG 24 15.504 0.503 1.156 190 HA ARG 24 HA ARG 24 16.144 -1.131 -1.112 191 HB2 ARG 24 2HB ARG 24 15.036 -1.684 1.626 192 HB3 ARG 24 1HB ARG 24 15.028 -2.942 0.402 193 HG2 ARG 24 2HG ARG 24 16.944 -3.184 1.847 194 HG3 ARG 24 1HG ARG 24 17.464 -2.774 0.214 195 HD2 ARG 24 2HD ARG 24 18.144 -0.654 0.824 196 HD3 ARG 24 1HD ARG 24 17.092 -0.604 2.238 197 HE ARG 24 HE ARG 24 18.798 -2.568 2.891 198 HH11 ARG 24 1HH1 ARG 24 19.413 0.660 1.618 199 HH12 ARG 24 2HH1 ARG 24 20.906 0.840 2.486 200 HH21 ARG 24 1HH2 ARG 24 20.784 -2.330 3.987 201 HH22 ARG 24 2HH2 ARG 24 21.696 -0.856 3.805 202 H LEU 25 H LEU 25 13.171 0.040 0.367 203 HA LEU 25 HA LEU 25 11.398 -1.501 -1.183 204 HB2 LEU 25 2HB LEU 25 11.141 1.107 0.276 205 HB3 LEU 25 1HB LEU 25 9.821 0.511 -0.724 206 HG LEU 25 HG LEU 25 11.014 -0.862 1.686 207 HD11 LEU 25 1HD1 LEU 25 8.769 -0.508 2.635 208 HD12 LEU 25 2HD1 LEU 25 8.334 0.424 1.202 209 HD13 LEU 25 3HD1 LEU 25 9.605 1.004 2.277 210 HD21 LEU 25 3HD2 LEU 25 10.360 -2.497 -0.010 211 HD22 LEU 25 1HD2 LEU 25 8.763 -1.757 -0.113 212 HD23 LEU 25 2HD2 LEU 25 9.275 -2.545 1.380 213 H MET 26 H MET 26 12.719 1.770 -1.689 214 HA MET 26 HA MET 26 11.391 2.206 -4.136 215 HB2 MET 26 2HB MET 26 13.833 3.457 -2.921 216 HB3 MET 26 1HB MET 26 13.257 3.921 -4.515 217 HG2 MET 26 2HG MET 26 11.670 4.095 -1.962 218 HG3 MET 26 1HG MET 26 12.479 5.438 -2.765 219 HE1 MET 26 3HE MET 26 11.946 4.732 -5.827 220 HE2 MET 26 1HE MET 26 11.761 6.365 -5.188 221 HE3 MET 26 2HE MET 26 10.469 5.639 -6.146 222 H GLU 27 H GLU 27 14.396 0.552 -3.406 223 HA GLU 27 HA GLU 27 15.391 0.522 -6.057 224 HB2 GLU 27 2HB GLU 27 16.760 0.005 -4.049 225 HB3 GLU 27 1HB GLU 27 15.874 -1.502 -3.864 226 HG2 GLU 27 2HG GLU 27 18.102 -1.736 -4.944 227 HG3 GLU 27 1HG GLU 27 16.759 -2.367 -5.897 228 H ILE 28 H ILE 28 13.575 -1.911 -4.196 229 HA ILE 28 HA ILE 28 13.120 -3.662 -6.368 230 HB ILE 28 HB ILE 28 11.350 -3.212 -3.953 231 HG12 ILE 28 2HG1 ILE 28 13.582 -5.217 -4.378 232 HG13 ILE 28 1HG1 ILE 28 13.696 -3.773 -3.376 233 HG21 ILE 28 1HG2 ILE 28 10.541 -5.483 -4.383 234 HG22 ILE 28 2HG2 ILE 28 11.546 -5.568 -5.829 235 HG23 ILE 28 3HG2 ILE 28 10.215 -4.414 -5.747 236 HD11 ILE 28 3HD1 ILE 28 11.911 -4.667 -1.940 237 HD12 ILE 28 1HD1 ILE 28 13.327 -5.716 -2.004 238 HD13 ILE 28 2HD1 ILE 28 11.880 -6.129 -2.925 239 H ALA 29 H ALA 29 11.504 -0.795 -5.212 240 HA ALA 29 HA ALA 29 9.183 -0.887 -6.788 241 HB1 ALA 29 1HB ALA 29 9.000 1.508 -6.320 242 HB2 ALA 29 2HB ALA 29 10.655 1.511 -5.709 243 HB3 ALA 29 3HB ALA 29 9.407 0.590 -4.871 244 H LYS 30 H LYS 30 12.463 -0.097 -7.604 245 HA LYS 30 HA LYS 30 11.807 1.365 -9.991 246 HB2 LYS 30 2HB LYS 30 14.393 -0.026 -9.259 247 HB3 LYS 30 1HB LYS 30 14.183 1.107 -10.584 248 HG2 LYS 30 2HG LYS 30 13.619 2.855 -8.896 249 HG3 LYS 30 1HG LYS 30 14.057 1.694 -7.640 250 HD2 LYS 30 2HD LYS 30 16.291 1.467 -8.721 251 HD3 LYS 30 1HD LYS 30 15.836 2.764 -9.826 252 HE2 LYS 30 2HE LYS 30 17.107 3.786 -8.130 253 HE3 LYS 30 1HE LYS 30 15.428 4.181 -7.767 254 HZ1 LYS 30 3HZ LYS 30 16.709 3.501 -5.797 255 HZ2 LYS 30 1HZ LYS 30 16.963 1.973 -6.491 256 HZ3 LYS 30 2HZ LYS 30 15.395 2.476 -6.092 257 H GLU 31 H GLU 31 12.982 -1.882 -9.252 258 HA GLU 31 HA GLU 31 13.038 -2.826 -11.894 259 HB2 GLU 31 2HB GLU 31 14.139 -3.887 -9.907 260 HB3 GLU 31 1HB GLU 31 12.560 -4.485 -9.417 261 HG2 GLU 31 2HG GLU 31 13.147 -5.141 -12.172 262 HG3 GLU 31 1HG GLU 31 14.384 -5.750 -11.072 263 H LYS 32 H LYS 32 10.433 -2.693 -9.542 264 HA LYS 32 HA LYS 32 8.665 -4.223 -11.283 265 HB2 LYS 32 2HB LYS 32 8.655 -3.424 -8.446 266 HB3 LYS 32 1HB LYS 32 7.078 -3.396 -9.221 267 HG2 LYS 32 2HG LYS 32 7.375 -5.524 -8.183 268 HG3 LYS 32 1HG LYS 32 7.437 -5.741 -9.932 269 HD2 LYS 32 2HD LYS 32 9.918 -5.744 -9.788 270 HD3 LYS 32 1HD LYS 32 9.780 -5.676 -8.028 271 HE2 LYS 32 2HE LYS 32 8.580 -7.788 -8.019 272 HE3 LYS 32 1HE LYS 32 8.621 -7.842 -9.780 273 HZ1 LYS 32 3HZ LYS 32 10.327 -9.246 -8.994 274 HZ2 LYS 32 1HZ LYS 32 10.912 -8.080 -7.910 275 HZ3 LYS 32 2HZ LYS 32 11.103 -7.856 -9.580 276 H ASN 33 H ASN 33 9.568 -1.036 -10.900 277 HA ASN 33 HA ASN 33 8.745 0.999 -11.465 278 HB2 ASN 33 2HB ASN 33 8.488 -0.302 -13.669 279 HB3 ASN 33 1HB ASN 33 6.777 -0.404 -13.271 280 HD21 ASN 33 1HD2 ASN 33 8.104 0.921 -15.496 281 HD22 ASN 33 2HD2 ASN 33 7.609 2.580 -15.421 282 H LEU 34 H LEU 34 7.853 0.291 -9.144 283 HA LEU 34 HA LEU 34 5.020 1.074 -9.103 284 HB2 LEU 34 2HB LEU 34 6.348 -1.065 -7.431 285 HB3 LEU 34 1HB LEU 34 4.772 -0.385 -7.066 286 HG LEU 34 HG LEU 34 5.466 -1.913 -9.575 287 HD11 LEU 34 1HD1 LEU 34 5.452 -3.323 -7.570 288 HD12 LEU 34 2HD1 LEU 34 4.092 -3.686 -8.632 289 HD13 LEU 34 3HD1 LEU 34 3.838 -2.732 -7.171 290 HD21 LEU 34 3HD2 LEU 34 3.060 -1.866 -9.997 291 HD22 LEU 34 1HD2 LEU 34 3.729 -0.236 -9.934 292 HD23 LEU 34 2HD2 LEU 34 2.824 -0.870 -8.560 293 H THR 35 H THR 35 4.427 1.954 -6.895 294 HA THR 35 HA THR 35 6.695 3.501 -5.846 295 HB THR 35 HB THR 35 5.033 5.031 -4.912 296 HG1 THR 35 1HG THR 35 3.010 3.488 -6.212 297 HG21 THR 35 3HG2 THR 35 5.766 5.432 -7.207 298 HG22 THR 35 1HG2 THR 35 4.084 5.913 -6.996 299 HG23 THR 35 2HG2 THR 35 4.471 4.398 -7.813 300 H LEU 36 H LEU 36 6.972 3.664 -3.553 301 HA LEU 36 HA LEU 36 6.395 1.380 -2.011 302 HB2 LEU 36 2HB LEU 36 7.259 2.553 -0.129 303 HB3 LEU 36 1HB LEU 36 8.235 2.975 -1.515 304 HG LEU 36 HG LEU 36 6.083 4.746 -0.345 305 HD11 LEU 36 1HD1 LEU 36 7.919 4.422 1.223 306 HD12 LEU 36 2HD1 LEU 36 7.950 6.054 0.553 307 HD13 LEU 36 3HD1 LEU 36 9.083 4.836 -0.037 308 HD21 LEU 36 3HD2 LEU 36 7.192 6.501 -1.687 309 HD22 LEU 36 1HD2 LEU 36 6.472 5.236 -2.685 310 HD23 LEU 36 2HD2 LEU 36 8.215 5.264 -2.418 311 H SER 37 H SER 37 4.600 4.271 -2.650 312 HA SER 37 HA SER 37 2.556 3.960 -0.768 313 HB2 SER 37 2HB SER 37 2.319 4.923 -3.635 314 HB3 SER 37 1HB SER 37 1.183 5.252 -2.326 315 HG SER 37 HG SER 37 3.606 6.427 -2.901 316 H ASP 38 H ASP 38 2.935 2.591 -4.030 317 HA ASP 38 HA ASP 38 0.575 1.064 -4.042 318 HB2 ASP 38 2HB ASP 38 3.197 0.690 -5.490 319 HB3 ASP 38 1HB ASP 38 1.840 -0.406 -5.715 320 H VAL 39 H VAL 39 3.895 0.181 -3.161 321 HA VAL 39 HA VAL 39 3.378 -2.513 -2.541 322 HB VAL 39 HB VAL 39 5.522 -0.726 -1.365 323 HG11 VAL 39 1HG1 VAL 39 5.239 -2.813 -0.123 324 HG12 VAL 39 2HG1 VAL 39 6.769 -2.791 -0.999 325 HG13 VAL 39 3HG1 VAL 39 5.412 -3.730 -1.621 326 HG21 VAL 39 3HG2 VAL 39 5.612 -0.680 -3.785 327 HG22 VAL 39 1HG2 VAL 39 5.556 -2.442 -3.845 328 HG23 VAL 39 2HG2 VAL 39 6.959 -1.628 -3.153 329 H CYS 40 H CYS 40 3.017 0.411 -0.638 330 HA CYS 40 HA CYS 40 2.798 -0.887 1.882 331 HB2 CYS 40 2HB CYS 40 3.291 1.622 1.234 332 HB3 CYS 40 1HB CYS 40 1.534 1.788 1.319 333 HG CYS 40 HG CYS 40 3.790 1.402 3.781 334 H ARG 41 H ARG 41 0.286 0.602 -0.190 335 HA ARG 41 HA ARG 41 -1.851 -0.508 1.273 336 HB2 ARG 41 2HB ARG 41 -3.247 0.048 -0.722 337 HB3 ARG 41 1HB ARG 41 -2.319 1.384 -0.066 338 HG2 ARG 41 2HG ARG 41 -1.960 1.716 -2.276 339 HG3 ARG 41 1HG ARG 41 -0.603 0.648 -1.925 340 HD2 ARG 41 2HD ARG 41 -1.735 -1.230 -2.830 341 HD3 ARG 41 1HD ARG 41 -3.258 -0.346 -2.924 342 HE ARG 41 HE ARG 41 -0.888 0.246 -4.585 343 HH11 ARG 41 1HH1 ARG 41 -4.389 0.068 -4.231 344 HH12 ARG 41 2HH1 ARG 41 -4.693 0.648 -5.837 345 HH21 ARG 41 1HH2 ARG 41 -1.305 1.023 -6.670 346 HH22 ARG 41 2HH2 ARG 41 -2.950 1.197 -7.215 347 H LEU 42 H LEU 42 0.030 -1.794 -1.415 348 HA LEU 42 HA LEU 42 -1.644 -4.092 -1.774 349 HB2 LEU 42 2HB LEU 42 1.233 -3.596 -2.532 350 HB3 LEU 42 1HB LEU 42 0.346 -5.044 -2.962 351 HG LEU 42 HG LEU 42 -0.332 -2.241 -3.850 352 HD11 LEU 42 1HD1 LEU 42 0.325 -3.066 -6.077 353 HD12 LEU 42 2HD1 LEU 42 0.856 -4.579 -5.342 354 HD13 LEU 42 3HD1 LEU 42 1.671 -3.068 -4.937 355 HD21 LEU 42 3HD2 LEU 42 -1.978 -3.332 -5.301 356 HD22 LEU 42 1HD2 LEU 42 -2.326 -3.617 -3.595 357 HD23 LEU 42 2HD2 LEU 42 -1.587 -4.887 -4.569 358 H ALA 43 H ALA 43 0.664 -3.138 0.530 359 HA ALA 43 HA ALA 43 1.552 -5.704 1.349 360 HB1 ALA 43 1HB ALA 43 2.426 -4.573 3.311 361 HB2 ALA 43 2HB ALA 43 1.522 -3.119 2.886 362 HB3 ALA 43 3HB ALA 43 2.822 -3.685 1.838 363 H ILE 44 H ILE 44 -0.924 -3.442 2.576 364 HA ILE 44 HA ILE 44 -1.838 -5.247 4.580 365 HB ILE 44 HB ILE 44 -3.930 -3.806 4.602 366 HG12 ILE 44 2HG1 ILE 44 -2.276 -2.214 2.635 367 HG13 ILE 44 1HG1 ILE 44 -3.884 -2.890 2.376 368 HG21 ILE 44 1HG2 ILE 44 -2.781 -1.935 5.711 369 HG22 ILE 44 2HG2 ILE 44 -1.249 -2.523 5.065 370 HG23 ILE 44 3HG2 ILE 44 -2.162 -3.510 6.206 371 HD11 ILE 44 3HD1 ILE 44 -4.798 -1.372 4.050 372 HD12 ILE 44 1HD1 ILE 44 -3.991 -0.496 2.751 373 HD13 ILE 44 2HD1 ILE 44 -3.192 -0.689 4.312 374 H LYS 45 H LYS 45 -2.609 -4.726 1.218 375 HA LYS 45 HA LYS 45 -4.852 -6.385 1.021 376 HB2 LYS 45 2HB LYS 45 -3.904 -4.914 -0.802 377 HB3 LYS 45 1HB LYS 45 -2.637 -6.105 -1.026 378 HG2 LYS 45 2HG LYS 45 -5.554 -6.779 -1.318 379 HG3 LYS 45 1HG LYS 45 -4.575 -6.172 -2.652 380 HD2 LYS 45 2HD LYS 45 -3.056 -8.081 -2.399 381 HD3 LYS 45 1HD LYS 45 -4.041 -8.686 -1.066 382 HE2 LYS 45 2HE LYS 45 -5.966 -8.826 -2.637 383 HE3 LYS 45 1HE LYS 45 -4.876 -8.371 -3.946 384 HZ1 LYS 45 3HZ LYS 45 -4.815 -10.843 -2.308 385 HZ2 LYS 45 1HZ LYS 45 -3.515 -10.364 -3.284 386 HZ3 LYS 45 2HZ LYS 45 -5.023 -10.705 -3.982 387 H GLU 46 H GLU 46 -1.390 -7.081 0.924 388 HA GLU 46 HA GLU 46 -1.620 -9.874 0.457 389 HB2 GLU 46 2HB GLU 46 0.423 -8.488 0.014 390 HB3 GLU 46 1HB GLU 46 0.653 -8.340 1.751 391 HG2 GLU 46 2HG GLU 46 2.118 -10.029 1.044 392 HG3 GLU 46 1HG GLU 46 0.772 -10.858 1.822 393 H TYR 47 H TYR 47 -1.484 -7.810 3.252 394 HA TYR 47 HA TYR 47 -1.116 -9.728 5.250 395 HB2 TYR 47 2HB TYR 47 -1.019 -7.169 5.416 396 HB3 TYR 47 1HB TYR 47 -2.769 -7.226 5.566 397 HD1 TYR 47 1HD TYR 47 -3.810 -8.228 7.571 398 HD2 TYR 47 2HD TYR 47 0.408 -7.807 7.210 399 HE1 TYR 47 1HE TYR 47 -3.573 -8.566 9.996 400 HE2 TYR 47 2HE TYR 47 0.659 -8.142 9.631 401 HH TYR 47 HH TYR 47 -0.558 -8.033 11.642 402 H LEU 48 H LEU 48 -4.056 -8.321 3.861 403 HA LEU 48 HA LEU 48 -5.893 -9.880 5.344 404 HB2 LEU 48 2HB LEU 48 -6.263 -8.631 2.618 405 HB3 LEU 48 1HB LEU 48 -7.542 -9.180 3.681 406 HG LEU 48 HG LEU 48 -5.668 -6.874 4.210 407 HD11 LEU 48 1HD1 LEU 48 -8.613 -6.942 3.569 408 HD12 LEU 48 2HD1 LEU 48 -7.328 -6.411 2.484 409 HD13 LEU 48 3HD1 LEU 48 -7.670 -5.503 3.958 410 HD21 LEU 48 3HD2 LEU 48 -7.961 -7.969 5.837 411 HD22 LEU 48 1HD2 LEU 48 -7.123 -6.450 6.158 412 HD23 LEU 48 2HD2 LEU 48 -6.255 -7.980 6.285 413 H ASP 49 H ASP 49 -4.416 -10.269 2.168 414 HA ASP 49 HA ASP 49 -5.917 -12.452 1.275 415 HB2 ASP 49 2HB ASP 49 -4.339 -10.952 -0.047 416 HB3 ASP 49 1HB ASP 49 -3.028 -11.953 0.565 417 H ASN 50 H ASN 50 -2.943 -12.334 3.178 418 HA ASN 50 HA ASN 50 -2.571 -15.181 3.093 419 HB2 ASN 50 2HB ASN 50 -1.187 -12.919 4.489 420 HB3 ASN 50 1HB ASN 50 -0.883 -14.574 5.009 421 HD21 ASN 50 1HD2 ASN 50 -0.532 -12.260 2.461 422 HD22 ASN 50 2HD2 ASN 50 0.606 -13.165 1.524 423 H HIS 51 H HIS 51 -4.440 -13.062 5.015 424 HA HIS 51 HA HIS 51 -4.681 -15.019 7.169 425 HB2 HIS 51 2HB HIS 51 -5.672 -12.207 6.807 426 HB3 HIS 51 1HB HIS 51 -6.410 -13.257 8.012 427 HD1 HIS 51 1HD HIS 51 -5.473 -12.790 10.239 428 HD2 HIS 51 2HD HIS 51 -2.598 -12.445 7.246 429 HE1 HIS 51 1HE HIS 51 -3.327 -12.193 11.413 430 HE2 HIS 51 2HE HIS 51 -1.565 -12.232 9.613 431 H ASP 52 H ASP 52 -6.262 -14.012 4.297 432 HA ASP 52 HA ASP 52 -8.720 -15.424 4.963 433 HB2 ASP 52 2HB ASP 52 -8.846 -13.255 3.779 434 HB3 ASP 52 1HB ASP 52 -7.944 -13.949 2.436 435 H LYS 53 H LYS 53 -6.739 -17.159 5.075 436 HA LYS 53 HA LYS 53 -6.418 -18.557 2.561 437 HB2 LYS 53 2HB LYS 53 -4.760 -18.461 4.581 438 HB3 LYS 53 1HB LYS 53 -5.785 -19.709 5.273 439 HG2 LYS 53 2HG LYS 53 -4.532 -19.973 2.554 440 HG3 LYS 53 1HG LYS 53 -3.722 -20.484 4.035 441 HD2 LYS 53 2HD LYS 53 -5.466 -22.072 4.503 442 HD3 LYS 53 1HD LYS 53 -6.429 -21.477 3.148 443 HE2 LYS 53 2HE LYS 53 -5.293 -23.569 2.588 444 HE3 LYS 53 1HE LYS 53 -4.721 -22.239 1.584 445 HZ1 LYS 53 3HZ LYS 53 -3.329 -23.358 3.957 446 HZ2 LYS 53 1HZ LYS 53 -2.784 -22.043 3.039 447 HZ3 LYS 53 2HZ LYS 53 -2.883 -23.581 2.338 448 H GLN 54 H GLN 54 -7.759 -19.482 5.725 449 HA GLN 54 HA GLN 54 -9.685 -20.488 6.350 450 HB2 GLN 54 2HB GLN 54 -10.526 -19.903 3.514 451 HB3 GLN 54 1HB GLN 54 -11.592 -20.584 4.733 452 HG2 GLN 54 2HG GLN 54 -10.247 -17.892 4.852 453 HG3 GLN 54 1HG GLN 54 -11.944 -18.194 4.486 454 HE21 GLN 54 1HE2 GLN 54 -9.538 -18.008 6.946 455 HE22 GLN 54 2HE2 GLN 54 -10.608 -18.133 8.302 456 H LYS 55 H LYS 55 -10.753 -22.469 6.350 457 HA LYS 55 HA LYS 55 -9.651 -24.482 4.507 458 HB2 LYS 55 2HB LYS 55 -10.324 -24.757 7.439 459 HB3 LYS 55 1HB LYS 55 -10.012 -26.127 6.384 460 HG2 LYS 55 2HG LYS 55 -7.757 -25.288 5.956 461 HG3 LYS 55 1HG LYS 55 -8.069 -23.915 7.019 462 HD2 LYS 55 2HD LYS 55 -6.812 -25.640 8.188 463 HD3 LYS 55 1HD LYS 55 -8.417 -25.456 8.895 464 HE2 LYS 55 2HE LYS 55 -7.853 -27.807 8.700 465 HE3 LYS 55 1HE LYS 55 -9.188 -27.411 7.619 466 HZ1 LYS 55 3HZ LYS 55 -7.554 -28.835 6.548 467 HZ2 LYS 55 1HZ LYS 55 -6.339 -27.681 6.812 468 HZ3 LYS 55 2HZ LYS 55 -7.633 -27.331 5.773 469 H LYS 56 H LYS 56 -11.260 -24.652 3.076 470 HA LYS 56 HA LYS 56 -13.245 -25.189 2.144 471 HB2 LYS 56 2HB LYS 56 -13.116 -27.196 3.567 472 HB3 LYS 56 1HB LYS 56 -13.912 -26.325 4.867 473 HG2 LYS 56 2HG LYS 56 -15.918 -26.100 3.508 474 HG3 LYS 56 1HG LYS 56 -15.118 -26.941 2.178 475 HD2 LYS 56 2HD LYS 56 -14.909 -28.942 3.549 476 HD3 LYS 56 1HD LYS 56 -15.657 -28.103 4.911 477 HE2 LYS 56 2HE LYS 56 -17.255 -29.549 3.753 478 HE3 LYS 56 1HE LYS 56 -17.718 -27.851 3.647 479 HZ1 LYS 56 3HZ LYS 56 -16.327 -29.383 1.514 480 HZ2 LYS 56 1HZ LYS 56 -16.831 -27.766 1.414 481 HZ3 LYS 56 2HZ LYS 56 -17.981 -29.006 1.532 482 H1 GLY 2 1HT GLY 2 21.640 14.050 17.689 483 H2 GLY 2 2HT GLY 2 21.652 12.646 16.741 484 H3 GLY 2 3HT GLY 2 20.216 13.524 16.932 485 HA2 GLY 2 1HA GLY 2 21.138 15.383 15.731 486 HA3 GLY 2 2HA GLY 2 22.661 14.516 15.579 487 H ARG 3 H ARG 3 22.642 14.505 13.348 488 HA ARG 3 HA ARG 3 20.430 13.033 12.066 489 HB2 ARG 3 2HB ARG 3 22.435 14.996 10.942 490 HB3 ARG 3 1HB ARG 3 21.322 14.066 9.949 491 HG2 ARG 3 2HG ARG 3 19.434 15.160 10.912 492 HG3 ARG 3 1HG ARG 3 20.446 15.947 12.125 493 HD2 ARG 3 2HD ARG 3 20.737 16.379 9.158 494 HD3 ARG 3 1HD ARG 3 19.774 17.418 10.212 495 HE ARG 3 HE ARG 3 22.260 17.296 11.379 496 HH11 ARG 3 1HH1 ARG 3 21.035 18.311 8.238 497 HH12 ARG 3 2HH1 ARG 3 22.261 19.531 8.037 498 HH21 ARG 3 1HH2 ARG 3 23.856 18.870 11.094 499 HH22 ARG 3 2HH2 ARG 3 23.858 19.853 9.660 500 HA PRO 4 HA PRO 4 23.496 9.744 11.599 501 HB2 PRO 4 2HB PRO 4 21.268 8.439 10.172 502 HB3 PRO 4 1HB PRO 4 22.173 7.884 11.583 503 HG2 PRO 4 2HG PRO 4 19.633 8.722 11.794 504 HG3 PRO 4 1HG PRO 4 20.826 9.037 13.068 505 HD2 PRO 4 2HD PRO 4 19.799 10.878 10.937 506 HD3 PRO 4 1HD PRO 4 20.110 11.208 12.655 507 H TYR 5 H TYR 5 21.422 11.175 9.203 508 HA TYR 5 HA TYR 5 23.579 11.093 7.246 509 HB2 TYR 5 2HB TYR 5 20.770 10.103 6.677 510 HB3 TYR 5 1HB TYR 5 21.957 10.465 5.432 511 HD1 TYR 5 1HD TYR 5 23.898 9.004 5.107 512 HD2 TYR 5 2HD TYR 5 20.912 8.087 7.997 513 HE1 TYR 5 1HE TYR 5 24.744 6.699 5.242 514 HE2 TYR 5 2HE TYR 5 21.754 5.783 8.144 515 HH TYR 5 HH TYR 5 24.744 4.822 6.799 516 H LYS 6 H LYS 6 20.132 11.889 7.240 517 HA LYS 6 HA LYS 6 20.691 14.724 7.291 518 HB2 LYS 6 2HB LYS 6 19.180 15.041 5.235 519 HB3 LYS 6 1HB LYS 6 20.839 14.531 4.963 520 HG2 LYS 6 2HG LYS 6 20.027 12.193 4.769 521 HG3 LYS 6 1HG LYS 6 18.376 12.807 4.877 522 HD2 LYS 6 2HD LYS 6 18.711 14.129 2.869 523 HD3 LYS 6 1HD LYS 6 20.398 13.619 2.786 524 HE2 LYS 6 2HE LYS 6 19.588 11.265 2.576 525 HE3 LYS 6 1HE LYS 6 17.946 11.899 2.462 526 HZ1 LYS 6 3HZ LYS 6 20.191 12.428 0.589 527 HZ2 LYS 6 1HZ LYS 6 18.677 13.195 0.509 528 HZ3 LYS 6 2HZ LYS 6 18.794 11.517 0.275 529 H LEU 7 H LEU 7 18.122 12.332 6.679 530 HA LEU 7 HA LEU 7 16.327 13.817 8.421 531 HB2 LEU 7 2HB LEU 7 15.967 11.314 6.772 532 HB3 LEU 7 1HB LEU 7 14.757 11.872 7.906 533 HG LEU 7 HG LEU 7 14.045 12.576 5.771 534 HD11 LEU 7 1HD1 LEU 7 13.793 14.259 7.513 535 HD12 LEU 7 2HD1 LEU 7 14.018 14.990 5.926 536 HD13 LEU 7 3HD1 LEU 7 15.355 14.949 7.075 537 HD21 LEU 7 3HD2 LEU 7 16.132 12.290 4.564 538 HD22 LEU 7 1HD2 LEU 7 16.789 13.736 5.330 539 HD23 LEU 7 2HD2 LEU 7 15.419 13.866 4.225 540 H LEU 8 H LEU 8 15.372 12.839 10.291 541 HA LEU 8 HA LEU 8 17.348 11.260 11.720 542 HB2 LEU 8 2HB LEU 8 14.922 12.797 12.643 543 HB3 LEU 8 1HB LEU 8 15.863 11.778 13.714 544 HG LEU 8 HG LEU 8 17.873 13.211 13.102 545 HD11 LEU 8 1HD1 LEU 8 16.964 14.253 11.092 546 HD12 LEU 8 2HD1 LEU 8 17.415 15.463 12.293 547 HD13 LEU 8 3HD1 LEU 8 15.718 15.044 12.060 548 HD21 LEU 8 3HD2 LEU 8 16.755 13.360 15.246 549 HD22 LEU 8 1HD2 LEU 8 15.560 14.467 14.567 550 HD23 LEU 8 2HD2 LEU 8 17.247 14.962 14.697 551 H ASN 9 H ASN 9 16.851 9.353 10.475 552 HA ASN 9 HA ASN 9 16.049 7.239 10.311 553 HB2 ASN 9 2HB ASN 9 15.070 7.858 13.103 554 HB3 ASN 9 1HB ASN 9 15.023 6.255 12.373 555 HD21 ASN 9 1HD2 ASN 9 16.949 5.153 12.010 556 HD22 ASN 9 2HD2 ASN 9 18.421 5.609 12.795 557 H GLY 10 H GLY 10 14.366 9.343 9.249 558 HA2 GLY 10 2HA GLY 10 11.978 7.780 8.928 559 HA3 GLY 10 1HA GLY 10 11.712 9.263 9.832 560 H ILE 11 H ILE 11 11.563 7.914 6.882 561 HA ILE 11 HA ILE 11 11.962 10.466 5.460 562 HB ILE 11 HB ILE 11 11.589 7.739 4.210 563 HG12 ILE 11 2HG1 ILE 11 13.601 7.662 5.590 564 HG13 ILE 11 1HG1 ILE 11 14.027 7.669 3.880 565 HG21 ILE 11 1HG2 ILE 11 12.673 10.330 3.118 566 HG22 ILE 11 2HG2 ILE 11 11.108 9.606 2.742 567 HG23 ILE 11 3HG2 ILE 11 12.596 8.803 2.240 568 HD11 ILE 11 3HD1 ILE 11 15.499 9.102 5.203 569 HD12 ILE 11 1HD1 ILE 11 14.104 10.063 5.701 570 HD13 ILE 11 2HD1 ILE 11 14.586 10.021 4.004 571 H LYS 12 H LYS 12 10.240 11.104 3.955 572 HA LYS 12 HA LYS 12 7.664 10.384 5.155 573 HB2 LYS 12 2HB LYS 12 8.260 12.741 5.296 574 HB3 LYS 12 1HB LYS 12 8.486 12.812 3.555 575 HG2 LYS 12 2HG LYS 12 6.377 13.812 4.175 576 HG3 LYS 12 1HG LYS 12 6.102 12.348 3.231 577 HD2 LYS 12 2HD LYS 12 5.704 11.108 5.328 578 HD3 LYS 12 1HD LYS 12 5.905 12.612 6.232 579 HE2 LYS 12 2HE LYS 12 4.012 13.583 5.012 580 HE3 LYS 12 1HE LYS 12 3.809 12.069 4.133 581 HZ1 LYS 12 3HZ LYS 12 3.512 12.445 7.067 582 HZ2 LYS 12 1HZ LYS 12 3.363 10.969 6.250 583 HZ3 LYS 12 2HZ LYS 12 2.254 12.210 5.951 584 H LEU 13 H LEU 13 6.244 9.285 4.096 585 HA LEU 13 HA LEU 13 6.210 9.312 1.165 586 HB2 LEU 13 2HB LEU 13 5.608 6.882 1.249 587 HB3 LEU 13 1HB LEU 13 7.259 7.245 1.703 588 HG LEU 13 HG LEU 13 5.183 6.927 3.839 589 HD11 LEU 13 1HD1 LEU 13 4.930 4.968 2.402 590 HD12 LEU 13 2HD1 LEU 13 5.680 4.538 3.939 591 HD13 LEU 13 3HD1 LEU 13 6.667 4.677 2.485 592 HD21 LEU 13 3HD2 LEU 13 8.153 6.389 3.689 593 HD22 LEU 13 1HD2 LEU 13 7.138 6.112 5.105 594 HD23 LEU 13 2HD2 LEU 13 7.376 7.754 4.499 595 H GLY 14 H GLY 14 4.103 8.624 0.283 596 HA2 GLY 14 2HA GLY 14 1.868 8.864 2.146 597 HA3 GLY 14 1HA GLY 14 2.016 10.093 0.896 598 H VAL 15 H VAL 15 0.441 7.361 1.648 599 HA VAL 15 HA VAL 15 0.454 6.284 -1.093 600 HB VAL 15 HB VAL 15 -0.491 4.881 1.422 601 HG11 VAL 15 1HG1 VAL 15 0.080 3.837 -1.349 602 HG12 VAL 15 2HG1 VAL 15 -1.510 4.030 -0.610 603 HG13 VAL 15 3HG1 VAL 15 -0.369 2.860 0.051 604 HG21 VAL 15 3HG2 VAL 15 1.587 3.625 1.349 605 HG22 VAL 15 1HG2 VAL 15 1.896 5.347 1.564 606 HG23 VAL 15 2HG2 VAL 15 2.143 4.596 -0.015 607 H TYR 16 H TYR 16 -1.462 6.032 -2.210 608 HA TYR 16 HA TYR 16 -3.921 7.051 -0.945 609 HB2 TYR 16 2HB TYR 16 -2.878 7.097 -3.691 610 HB3 TYR 16 1HB TYR 16 -4.563 6.596 -3.572 611 HD1 TYR 16 1HD TYR 16 -5.809 8.143 -1.659 612 HD2 TYR 16 2HD TYR 16 -2.665 9.329 -4.256 613 HE1 TYR 16 1HE TYR 16 -6.540 10.466 -1.457 614 HE2 TYR 16 2HE TYR 16 -3.390 11.673 -4.068 615 HH TYR 16 HH TYR 16 -5.795 12.683 -1.775 616 H ILE 17 H ILE 17 -5.450 5.621 -0.344 617 HA ILE 17 HA ILE 17 -5.708 3.172 -1.908 618 HB ILE 17 HB ILE 17 -5.836 1.693 -0.054 619 HG12 ILE 17 2HG1 ILE 17 -5.366 4.058 1.770 620 HG13 ILE 17 1HG1 ILE 17 -6.895 3.200 1.581 621 HG21 ILE 17 1HG2 ILE 17 -3.574 1.790 0.858 622 HG22 ILE 17 2HG2 ILE 17 -3.413 3.447 0.277 623 HG23 ILE 17 3HG2 ILE 17 -3.594 2.124 -0.873 624 HD11 ILE 17 3HD1 ILE 17 -5.905 2.356 3.542 625 HD12 ILE 17 1HD1 ILE 17 -4.332 2.182 2.757 626 HD13 ILE 17 2HD1 ILE 17 -5.663 1.119 2.299 627 HA PRO 18 HA PRO 18 -10.014 3.794 -1.917 628 HB2 PRO 18 2HB PRO 18 -10.352 0.989 -0.988 629 HB3 PRO 18 1HB PRO 18 -10.997 1.785 -2.428 630 HG2 PRO 18 2HG PRO 18 -8.976 0.077 -2.630 631 HG3 PRO 18 1HG PRO 18 -9.002 1.563 -3.600 632 HD2 PRO 18 2HD PRO 18 -7.441 0.939 -1.125 633 HD3 PRO 18 1HD PRO 18 -6.942 1.826 -2.583 634 H GLN 19 H GLN 19 -11.877 4.018 -0.724 635 HA GLN 19 HA GLN 19 -11.563 4.665 2.003 636 HB2 GLN 19 2HB GLN 19 -13.133 5.884 0.673 637 HB3 GLN 19 1HB GLN 19 -13.992 4.417 0.236 638 HG2 GLN 19 2HG GLN 19 -15.332 5.531 1.816 639 HG3 GLN 19 1HG GLN 19 -14.605 4.170 2.655 640 HE21 GLN 19 1HE2 GLN 19 -12.029 5.429 3.025 641 HE22 GLN 19 2HE2 GLN 19 -12.245 6.647 4.232 642 H GLU 20 H GLU 20 -12.950 1.887 0.342 643 HA GLU 20 HA GLU 20 -14.209 0.578 2.439 644 HB2 GLU 20 2HB GLU 20 -12.534 -0.843 0.365 645 HB3 GLU 20 1HB GLU 20 -13.955 -1.456 1.193 646 HG2 GLU 20 2HG GLU 20 -14.785 -0.960 -0.889 647 HG3 GLU 20 1HG GLU 20 -15.175 0.505 0.012 648 H TRP 21 H TRP 21 -10.825 0.842 1.665 649 HA TRP 21 HA TRP 21 -9.944 -1.150 3.524 650 HB2 TRP 21 2HB TRP 21 -8.507 1.028 2.006 651 HB3 TRP 21 1HB TRP 21 -7.689 -0.074 3.107 652 HD1 TRP 21 HD TRP 21 -10.313 -1.834 1.085 653 HE1 TRP 21 1HE TRP 21 -9.170 -3.186 -0.795 654 HE3 TRP 21 3HE TRP 21 -5.636 0.125 1.461 655 HZ2 TRP 21 2HZ TRP 21 -6.571 -3.367 -1.961 656 HZ3 TRP 21 3HZ TRP 21 -3.880 -0.666 -0.052 657 HH2 TRP 21 HH TRP 21 -4.329 -2.364 -1.712 658 H HIS 22 H HIS 22 -10.012 2.388 3.382 659 HA HIS 22 HA HIS 22 -8.820 2.914 5.834 660 HB2 HIS 22 2HB HIS 22 -10.295 4.402 3.882 661 HB3 HIS 22 1HB HIS 22 -10.855 4.841 5.497 662 HD1 HIS 22 1HD HIS 22 -9.586 6.738 6.449 663 HD2 HIS 22 2HD HIS 22 -7.255 4.410 3.905 664 HE1 HIS 22 1HE HIS 22 -7.316 7.821 6.431 665 HE2 HIS 22 2HE HIS 22 -5.940 6.436 4.834 666 H ASP 23 H ASP 23 -12.264 2.335 5.109 667 HA ASP 23 HA ASP 23 -13.293 2.712 7.662 668 HB2 ASP 23 2HB ASP 23 -14.710 2.315 5.702 669 HB3 ASP 23 1HB ASP 23 -14.146 0.648 5.618 670 H ARG 24 H ARG 24 -12.016 -0.315 6.254 671 HA ARG 24 HA ARG 24 -12.471 -1.786 8.664 672 HB2 ARG 24 2HB ARG 24 -11.300 -2.326 6.008 673 HB3 ARG 24 1HB ARG 24 -10.710 -3.335 7.320 674 HG2 ARG 24 2HG ARG 24 -12.627 -4.292 6.053 675 HG3 ARG 24 1HG ARG 24 -12.898 -4.148 7.787 676 HD2 ARG 24 2HD ARG 24 -14.254 -2.194 7.470 677 HD3 ARG 24 1HD ARG 24 -13.859 -2.141 5.752 678 HE ARG 24 HE ARG 24 -14.973 -4.578 6.005 679 HH11 ARG 24 1HH1 ARG 24 -16.083 -1.398 7.068 680 HH12 ARG 24 2HH1 ARG 24 -17.763 -1.809 6.875 681 HH21 ARG 24 1HH2 ARG 24 -17.174 -5.076 5.772 682 HH22 ARG 24 2HH2 ARG 24 -18.381 -3.884 6.154 683 H LEU 25 H LEU 25 -9.634 -0.234 7.242 684 HA LEU 25 HA LEU 25 -7.751 -1.288 9.068 685 HB2 LEU 25 2HB LEU 25 -7.669 1.249 7.435 686 HB3 LEU 25 1HB LEU 25 -6.308 0.601 8.328 687 HG LEU 25 HG LEU 25 -7.676 -0.676 5.960 688 HD11 LEU 25 1HD1 LEU 25 -5.506 -0.359 4.877 689 HD12 LEU 25 2HD1 LEU 25 -4.912 0.469 6.318 690 HD13 LEU 25 3HD1 LEU 25 -6.224 1.173 5.373 691 HD21 LEU 25 3HD2 LEU 25 -7.007 -2.394 7.535 692 HD22 LEU 25 1HD2 LEU 25 -5.391 -1.695 7.644 693 HD23 LEU 25 2HD2 LEU 25 -5.945 -2.406 6.127 694 H MET 26 H MET 26 -9.517 1.809 9.003 695 HA MET 26 HA MET 26 -8.318 2.800 11.369 696 HB2 MET 26 2HB MET 26 -10.981 3.569 10.163 697 HB3 MET 26 1HB MET 26 -10.105 4.478 11.384 698 HG2 MET 26 2HG MET 26 -9.266 3.983 8.540 699 HG3 MET 26 1HG MET 26 -9.776 5.512 9.253 700 HE1 MET 26 3HE MET 26 -8.288 5.432 12.068 701 HE2 MET 26 1HE MET 26 -8.338 6.861 11.035 702 HE3 MET 26 2HE MET 26 -6.797 6.290 11.679 703 H GLU 27 H GLU 27 -10.990 0.660 10.790 704 HA GLU 27 HA GLU 27 -12.108 0.745 13.377 705 HB2 GLU 27 2HB GLU 27 -12.928 -0.450 11.194 706 HB3 GLU 27 1HB GLU 27 -11.968 -1.797 11.793 707 HG2 GLU 27 2HG GLU 27 -14.288 -2.022 12.452 708 HG3 GLU 27 1HG GLU 27 -13.253 -1.794 13.867 709 H ILE 28 H ILE 28 -9.637 -1.355 11.940 710 HA ILE 28 HA ILE 28 -8.981 -2.756 14.310 711 HB ILE 28 HB ILE 28 -7.229 -2.213 11.902 712 HG12 ILE 28 2HG1 ILE 28 -9.035 -4.567 12.492 713 HG13 ILE 28 1HG1 ILE 28 -9.387 -3.290 11.332 714 HG21 ILE 28 1HG2 ILE 28 -6.039 -4.256 12.593 715 HG22 ILE 28 2HG2 ILE 28 -7.035 -4.322 14.047 716 HG23 ILE 28 3HG2 ILE 28 -5.928 -2.973 13.797 717 HD11 ILE 28 3HD1 ILE 28 -7.427 -3.949 10.027 718 HD12 ILE 28 1HD1 ILE 28 -8.575 -5.276 10.214 719 HD13 ILE 28 2HD1 ILE 28 -7.099 -5.242 11.182 720 H ALA 29 H ALA 29 -8.041 0.293 12.972 721 HA ALA 29 HA ALA 29 -5.697 0.824 14.391 722 HB1 ALA 29 1HB ALA 29 -6.110 3.161 13.877 723 HB2 ALA 29 2HB ALA 29 -7.786 2.792 13.470 724 HB3 ALA 29 3HB ALA 29 -6.476 2.149 12.481 725 H LYS 30 H LYS 30 -9.085 1.212 15.304 726 HA LYS 30 HA LYS 30 -8.442 2.528 17.788 727 HB2 LYS 30 2HB LYS 30 -11.018 1.090 17.172 728 HB3 LYS 30 1HB LYS 30 -10.764 2.419 18.295 729 HG2 LYS 30 2HG LYS 30 -10.324 3.909 16.388 730 HG3 LYS 30 1HG LYS 30 -10.662 2.567 15.291 731 HD2 LYS 30 2HD LYS 30 -12.901 2.382 16.529 732 HD3 LYS 30 1HD LYS 30 -12.538 3.992 17.150 733 HE2 LYS 30 2HE LYS 30 -13.898 4.255 15.217 734 HE3 LYS 30 1HE LYS 30 -12.262 4.751 14.784 735 HZ1 LYS 30 3HZ LYS 30 -13.395 3.323 13.113 736 HZ2 LYS 30 1HZ LYS 30 -13.370 2.049 14.231 737 HZ3 LYS 30 2HZ LYS 30 -11.914 2.703 13.655 738 H GLU 31 H GLU 31 -9.226 -0.702 16.724 739 HA GLU 31 HA GLU 31 -9.550 -1.950 19.204 740 HB2 GLU 31 2HB GLU 31 -8.494 -3.152 16.641 741 HB3 GLU 31 1HB GLU 31 -9.167 -4.041 17.998 742 HG2 GLU 31 2HG GLU 31 -10.653 -2.081 16.265 743 HG3 GLU 31 1HG GLU 31 -10.756 -3.837 16.166 744 H LYS 32 H LYS 32 -6.656 -1.935 17.099 745 HA LYS 32 HA LYS 32 -5.148 -3.142 19.291 746 HB2 LYS 32 2HB LYS 32 -4.742 -3.003 16.334 747 HB3 LYS 32 1HB LYS 32 -3.361 -3.302 17.381 748 HG2 LYS 32 2HG LYS 32 -4.203 -5.403 16.627 749 HG3 LYS 32 1HG LYS 32 -4.584 -5.243 18.341 750 HD2 LYS 32 2HD LYS 32 -6.875 -4.507 17.693 751 HD3 LYS 32 1HD LYS 32 -6.462 -4.849 16.012 752 HE2 LYS 32 2HE LYS 32 -5.983 -7.191 16.651 753 HE3 LYS 32 1HE LYS 32 -6.514 -6.823 18.290 754 HZ1 LYS 32 3HZ LYS 32 -8.269 -7.867 17.015 755 HZ2 LYS 32 1HZ LYS 32 -8.185 -6.650 15.840 756 HZ3 LYS 32 2HZ LYS 32 -8.708 -6.280 17.413 757 H ASN 33 H ASN 33 -5.749 -0.110 18.253 758 HA ASN 33 HA ASN 33 -4.851 1.928 18.664 759 HB2 ASN 33 2HB ASN 33 -4.378 0.921 20.922 760 HB3 ASN 33 1HB ASN 33 -2.767 0.518 20.341 761 HD21 ASN 33 1HD2 ASN 33 -4.551 3.448 19.549 762 HD22 ASN 33 2HD2 ASN 33 -3.471 4.532 20.354 763 H LEU 34 H LEU 34 -4.298 1.120 16.313 764 HA LEU 34 HA LEU 34 -1.452 1.731 15.867 765 HB2 LEU 34 2HB LEU 34 -3.246 -0.116 14.280 766 HB3 LEU 34 1HB LEU 34 -1.646 0.388 13.763 767 HG LEU 34 HG LEU 34 -2.241 -1.209 16.256 768 HD11 LEU 34 1HD1 LEU 34 -2.664 -2.500 14.238 769 HD12 LEU 34 2HD1 LEU 34 -1.199 -3.064 15.042 770 HD13 LEU 34 3HD1 LEU 34 -1.081 -2.051 13.602 771 HD21 LEU 34 3HD2 LEU 34 -0.249 0.200 16.469 772 HD22 LEU 34 1HD2 LEU 34 0.385 -0.465 14.963 773 HD23 LEU 34 2HD2 LEU 34 0.181 -1.507 16.369 774 H THR 35 H THR 35 -1.093 2.751 13.676 775 HA THR 35 HA THR 35 -3.371 4.491 13.015 776 HB THR 35 HB THR 35 -1.784 6.017 11.969 777 HG1 THR 35 1HG THR 35 0.351 4.383 12.920 778 HG21 THR 35 3HG2 THR 35 -2.185 6.321 14.350 779 HG22 THR 35 1HG2 THR 35 -0.513 6.722 13.955 780 HG23 THR 35 2HG2 THR 35 -0.892 5.183 14.729 781 H LEU 36 H LEU 36 -3.711 4.984 10.771 782 HA LEU 36 HA LEU 36 -3.891 2.806 9.079 783 HB2 LEU 36 2HB LEU 36 -4.417 4.395 7.329 784 HB3 LEU 36 1HB LEU 36 -5.183 4.871 8.830 785 HG LEU 36 HG LEU 36 -2.664 6.145 7.731 786 HD11 LEU 36 1HD1 LEU 36 -5.509 7.127 7.668 787 HD12 LEU 36 2HD1 LEU 36 -4.586 6.545 6.282 788 HD13 LEU 36 3HD1 LEU 36 -4.087 8.015 7.122 789 HD21 LEU 36 3HD2 LEU 36 -3.189 7.935 9.351 790 HD22 LEU 36 1HD2 LEU 36 -2.826 6.399 10.137 791 HD23 LEU 36 2HD2 LEU 36 -4.498 6.943 9.995 792 H SER 37 H SER 37 -1.391 5.296 9.272 793 HA SER 37 HA SER 37 0.257 4.425 7.207 794 HB2 SER 37 2HB SER 37 2.052 5.459 8.921 795 HB3 SER 37 1HB SER 37 0.954 6.460 7.973 796 HG SER 37 HG SER 37 0.531 5.579 10.654 797 H ASP 38 H ASP 38 0.121 3.426 10.610 798 HA ASP 38 HA ASP 38 2.427 1.805 10.583 799 HB2 ASP 38 2HB ASP 38 -0.009 1.837 12.352 800 HB3 ASP 38 1HB ASP 38 1.228 0.602 12.540 801 H VAL 39 H VAL 39 -0.987 1.053 9.999 802 HA VAL 39 HA VAL 39 -0.701 -1.733 9.990 803 HB VAL 39 HB VAL 39 -2.756 -0.087 8.503 804 HG11 VAL 39 1HG1 VAL 39 -2.800 -2.985 9.341 805 HG12 VAL 39 2HG1 VAL 39 -2.680 -2.378 7.689 806 HG13 VAL 39 3HG1 VAL 39 -4.149 -2.104 8.626 807 HG21 VAL 39 3HG2 VAL 39 -2.747 0.445 10.865 808 HG22 VAL 39 1HG2 VAL 39 -2.814 -1.269 11.276 809 HG23 VAL 39 2HG2 VAL 39 -4.180 -0.502 10.464 810 H CYS 40 H CYS 40 -0.548 0.594 7.293 811 HA CYS 40 HA CYS 40 -0.365 -1.392 5.293 812 HB2 CYS 40 2HB CYS 40 0.717 1.416 5.061 813 HB3 CYS 40 1HB CYS 40 0.160 0.363 3.769 814 HG CYS 40 HG CYS 40 -1.787 1.885 6.134 815 H ARG 41 H ARG 41 2.247 0.693 6.614 816 HA ARG 41 HA ARG 41 4.330 -0.699 5.417 817 HB2 ARG 41 2HB ARG 41 5.810 0.427 6.991 818 HB3 ARG 41 1HB ARG 41 4.609 1.528 6.343 819 HG2 ARG 41 2HG ARG 41 4.587 2.146 8.530 820 HG3 ARG 41 1HG ARG 41 3.326 0.912 8.554 821 HD2 ARG 41 2HD ARG 41 4.895 -0.729 9.389 822 HD3 ARG 41 1HD ARG 41 6.219 0.434 9.259 823 HE ARG 41 HE ARG 41 4.118 1.404 10.926 824 HH11 ARG 41 1HH1 ARG 41 6.886 -0.738 10.892 825 HH12 ARG 41 2HH1 ARG 41 7.161 -0.629 12.600 826 HH21 ARG 41 1HH2 ARG 41 4.445 1.555 13.160 827 HH22 ARG 41 2HH2 ARG 41 5.758 0.673 13.905 828 H LEU 42 H LEU 42 2.618 -1.458 8.417 829 HA LEU 42 HA LEU 42 4.497 -3.374 9.353 830 HB2 LEU 42 2HB LEU 42 1.556 -2.996 9.845 831 HB3 LEU 42 1HB LEU 42 2.422 -4.365 10.515 832 HG LEU 42 HG LEU 42 3.076 -1.462 11.051 833 HD11 LEU 42 1HD1 LEU 42 2.184 -1.881 13.280 834 HD12 LEU 42 2HD1 LEU 42 1.738 -3.519 12.802 835 HD13 LEU 42 3HD1 LEU 42 0.950 -2.134 12.046 836 HD21 LEU 42 3HD2 LEU 42 4.551 -2.378 12.795 837 HD22 LEU 42 1HD2 LEU 42 5.045 -2.886 11.179 838 HD23 LEU 42 2HD2 LEU 42 4.188 -4.009 12.233 839 H ALA 43 H ALA 43 1.875 -3.472 7.061 840 HA ALA 43 HA ALA 43 1.988 -6.304 6.698 841 HB1 ALA 43 1HB ALA 43 -0.034 -5.039 6.198 842 HB2 ALA 43 2HB ALA 43 0.543 -5.913 4.779 843 HB3 ALA 43 3HB ALA 43 0.819 -4.177 4.919 844 H ILE 44 H ILE 44 3.788 -3.585 5.483 845 HA ILE 44 HA ILE 44 4.925 -4.888 3.217 846 HB ILE 44 HB ILE 44 6.075 -2.661 4.921 847 HG12 ILE 44 2HG1 ILE 44 4.626 -2.616 2.267 848 HG13 ILE 44 1HG1 ILE 44 4.018 -2.001 3.803 849 HG21 ILE 44 1HG2 ILE 44 6.976 -3.636 2.211 850 HG22 ILE 44 2HG2 ILE 44 7.830 -3.890 3.733 851 HG23 ILE 44 3HG2 ILE 44 7.633 -2.259 3.094 852 HD11 ILE 44 3HD1 ILE 44 5.751 -0.302 3.829 853 HD12 ILE 44 1HD1 ILE 44 4.798 -0.204 2.348 854 HD13 ILE 44 2HD1 ILE 44 6.408 -0.927 2.317 855 H LYS 45 H LYS 45 5.763 -4.593 6.608 856 HA LYS 45 HA LYS 45 8.130 -6.036 6.635 857 HB2 LYS 45 2HB LYS 45 7.275 -4.819 8.593 858 HB3 LYS 45 1HB LYS 45 5.936 -5.941 8.725 859 HG2 LYS 45 2HG LYS 45 8.787 -6.844 8.979 860 HG3 LYS 45 1HG LYS 45 7.874 -6.221 10.352 861 HD2 LYS 45 2HD LYS 45 6.158 -7.966 9.933 862 HD3 LYS 45 1HD LYS 45 7.182 -8.619 8.654 863 HE2 LYS 45 2HE LYS 45 8.971 -8.951 10.345 864 HE3 LYS 45 1HE LYS 45 7.832 -8.438 11.590 865 HZ1 LYS 45 3HZ LYS 45 6.397 -10.330 10.433 866 HZ2 LYS 45 1HZ LYS 45 7.495 -10.654 11.693 867 HZ3 LYS 45 2HZ LYS 45 7.949 -10.931 10.082 868 H GLU 46 H GLU 46 4.770 -7.164 6.877 869 HA GLU 46 HA GLU 46 5.481 -9.917 7.068 870 HB2 GLU 46 2HB GLU 46 3.115 -8.371 7.290 871 HB3 GLU 46 1HB GLU 46 2.827 -9.571 6.035 872 HG2 GLU 46 2HG GLU 46 2.106 -10.466 8.123 873 HG3 GLU 46 1HG GLU 46 3.556 -11.330 7.618 874 H TYR 47 H TYR 47 4.902 -7.681 4.484 875 HA TYR 47 HA TYR 47 4.512 -9.494 2.383 876 HB2 TYR 47 2HB TYR 47 4.112 -7.055 2.181 877 HB3 TYR 47 1HB TYR 47 5.846 -6.775 2.289 878 HD1 TYR 47 2HD TYR 47 3.119 -7.993 0.164 879 HD2 TYR 47 1HD TYR 47 7.299 -7.246 0.401 880 HE1 TYR 47 2HE TYR 47 3.290 -8.217 -2.276 881 HE2 TYR 47 1HE TYR 47 7.485 -7.474 -2.038 882 HH TYR 47 HH TYR 47 4.737 -7.605 -4.105 883 H LEU 48 H LEU 48 7.433 -7.902 3.607 884 HA LEU 48 HA LEU 48 9.263 -9.291 1.960 885 HB2 LEU 48 2HB LEU 48 9.796 -8.151 4.702 886 HB3 LEU 48 1HB LEU 48 10.973 -8.455 3.440 887 HG LEU 48 HG LEU 48 8.803 -6.355 3.370 888 HD11 LEU 48 1HD1 LEU 48 11.794 -6.128 3.652 889 HD12 LEU 48 2HD1 LEU 48 10.599 -5.809 4.909 890 HD13 LEU 48 3HD1 LEU 48 10.672 -4.779 3.479 891 HD21 LEU 48 3HD2 LEU 48 9.249 -7.247 1.144 892 HD22 LEU 48 1HD2 LEU 48 10.977 -6.983 1.373 893 HD23 LEU 48 2HD2 LEU 48 9.876 -5.607 1.301 894 H ASP 49 H ASP 49 8.067 -9.804 5.217 895 HA ASP 49 HA ASP 49 9.724 -11.909 5.995 896 HB2 ASP 49 2HB ASP 49 8.051 -10.432 7.324 897 HB3 ASP 49 1HB ASP 49 6.872 -11.667 6.898 898 H ASN 50 H ASN 50 6.574 -11.959 4.360 899 HA ASN 50 HA ASN 50 6.394 -14.834 4.471 900 HB2 ASN 50 2HB ASN 50 4.708 -12.689 3.195 901 HB3 ASN 50 1HB ASN 50 4.418 -14.392 2.859 902 HD21 ASN 50 1HD2 ASN 50 5.496 -13.142 5.961 903 HD22 ASN 50 2HD2 ASN 50 4.044 -13.514 6.818 904 H HIS 51 H HIS 51 7.728 -12.528 2.278 905 HA HIS 51 HA HIS 51 7.749 -14.442 0.084 906 HB2 HIS 51 2HB HIS 51 8.552 -11.565 0.343 907 HB3 HIS 51 1HB HIS 51 9.169 -12.527 -0.997 908 HD1 HIS 51 1HD HIS 51 7.711 -12.704 -2.999 909 HD2 HIS 51 2HD HIS 51 5.597 -11.486 0.375 910 HE1 HIS 51 1HE HIS 51 5.405 -12.104 -3.816 911 HE2 HIS 51 2HE HIS 51 4.088 -11.558 -1.732 912 H ASP 52 H ASP 52 9.968 -12.977 2.391 913 HA ASP 52 HA ASP 52 12.099 -14.726 1.374 914 HB2 ASP 52 2HB ASP 52 12.528 -12.236 1.574 915 HB3 ASP 52 1HB ASP 52 12.412 -12.433 3.320 916 H LYS 53 H LYS 53 10.671 -16.385 2.435 917 HA LYS 53 HA LYS 53 10.909 -16.544 5.332 918 HB2 LYS 53 2HB LYS 53 8.784 -17.126 4.164 919 HB3 LYS 53 1HB LYS 53 9.613 -18.446 3.358 920 HG2 LYS 53 2HG LYS 53 9.569 -18.337 6.341 921 HG3 LYS 53 1HG LYS 53 8.145 -18.890 5.462 922 HD2 LYS 53 2HD LYS 53 9.609 -20.547 4.293 923 HD3 LYS 53 1HD LYS 53 10.921 -20.060 5.367 924 HE2 LYS 53 2HE LYS 53 9.852 -22.073 6.199 925 HE3 LYS 53 1HE LYS 53 9.569 -20.729 7.304 926 HZ1 LYS 53 3HZ LYS 53 7.615 -22.253 6.691 927 HZ2 LYS 53 1HZ LYS 53 7.587 -21.412 5.221 928 HZ3 LYS 53 2HZ LYS 53 7.353 -20.580 6.679 929 H GLN 54 H GLN 54 11.945 -18.266 2.426 930 HA GLN 54 HA GLN 54 13.777 -19.497 1.947 931 HB2 GLN 54 2HB GLN 54 14.744 -18.553 4.648 932 HB3 GLN 54 1HB GLN 54 15.716 -19.495 3.526 933 HG2 GLN 54 2HG GLN 54 14.570 -16.758 3.012 934 HG3 GLN 54 1HG GLN 54 16.248 -17.129 3.403 935 HE21 GLN 54 1HE2 GLN 54 15.119 -15.809 1.070 936 HE22 GLN 54 2HE2 GLN 54 15.638 -16.737 -0.299 937 H LYS 55 H LYS 55 13.816 -21.611 1.832 938 HA LYS 55 HA LYS 55 12.707 -23.221 3.960 939 HB2 LYS 55 2HB LYS 55 13.893 -24.023 1.292 940 HB3 LYS 55 1HB LYS 55 13.099 -25.119 2.413 941 HG2 LYS 55 2HG LYS 55 11.024 -23.824 2.177 942 HG3 LYS 55 1HG LYS 55 11.831 -22.786 1.001 943 HD2 LYS 55 2HD LYS 55 10.522 -24.444 -0.165 944 HD3 LYS 55 1HD LYS 55 12.236 -24.770 -0.419 945 HE2 LYS 55 2HE LYS 55 10.986 -26.827 0.013 946 HE3 LYS 55 1HE LYS 55 12.171 -26.515 1.281 947 HZ1 LYS 55 3HZ LYS 55 10.487 -25.808 2.747 948 HZ2 LYS 55 1HZ LYS 55 9.918 -27.245 2.057 949 HZ3 LYS 55 2HZ LYS 55 9.315 -25.752 1.524 950 H LYS 56 H LYS 56 14.185 -22.880 5.606 951 HA LYS 56 HA LYS 56 15.945 -23.315 6.942 952 HB2 LYS 56 2HB LYS 56 15.571 -25.652 6.361 953 HB3 LYS 56 1HB LYS 56 16.561 -25.473 4.918 954 HG2 LYS 56 2HG LYS 56 18.529 -25.130 6.228 955 HG3 LYS 56 1HG LYS 56 17.588 -25.069 7.719 956 HD2 LYS 56 2HD LYS 56 16.965 -27.402 7.447 957 HD3 LYS 56 1HD LYS 56 17.820 -27.469 5.904 958 HE2 LYS 56 2HE LYS 56 19.103 -28.444 7.790 959 HE3 LYS 56 1HE LYS 56 19.930 -27.109 6.989 960 HZ1 LYS 56 3HZ LYS 56 18.409 -26.915 9.538 961 HZ2 LYS 56 1HZ LYS 56 19.221 -25.642 8.769 962 HZ3 LYS 56 2HZ LYS 56 20.096 -26.949 9.399 Start of MODEL 12 1 H1 GLY 2 1HT GLY 2 -16.634 1.538 -11.204 2 H2 GLY 2 2HT GLY 2 -16.387 2.311 -12.694 3 H3 GLY 2 3HT GLY 2 -17.587 1.124 -12.543 4 HA2 GLY 2 1HA GLY 2 -18.504 3.382 -12.576 5 HA3 GLY 2 2HA GLY 2 -18.887 2.488 -11.112 6 H ARG 3 H ARG 3 -19.224 4.969 -10.668 7 HA ARG 3 HA ARG 3 -16.723 6.121 -9.658 8 HB2 ARG 3 2HB ARG 3 -19.484 7.330 -9.919 9 HB3 ARG 3 1HB ARG 3 -18.070 8.169 -9.302 10 HG2 ARG 3 2HG ARG 3 -18.319 7.042 -12.079 11 HG3 ARG 3 1HG ARG 3 -18.601 8.726 -11.639 12 HD2 ARG 3 2HD ARG 3 -16.289 8.892 -10.843 13 HD3 ARG 3 1HD ARG 3 -16.012 7.215 -11.315 14 HE ARG 3 HE ARG 3 -16.962 8.512 -13.559 15 HH11 ARG 3 1HH1 ARG 3 -14.154 8.793 -11.464 16 HH12 ARG 3 2HH1 ARG 3 -13.124 9.374 -12.743 17 HH21 ARG 3 1HH2 ARG 3 -15.628 9.281 -15.202 18 HH22 ARG 3 2HH2 ARG 3 -13.966 9.673 -14.861 19 HA PRO 4 HA PRO 4 -17.696 4.915 -5.453 20 HB2 PRO 4 2HB PRO 4 -16.213 7.423 -4.864 21 HB3 PRO 4 1HB PRO 4 -15.953 5.791 -4.240 22 HG2 PRO 4 2HG PRO 4 -14.298 6.823 -6.051 23 HG3 PRO 4 1HG PRO 4 -14.774 5.115 -6.122 24 HD2 PRO 4 2HD PRO 4 -15.730 7.421 -7.766 25 HD3 PRO 4 1HD PRO 4 -15.399 5.746 -8.256 26 H TYR 5 H TYR 5 -18.622 6.095 -3.505 27 HA TYR 5 HA TYR 5 -21.037 7.247 -4.524 28 HB2 TYR 5 2HB TYR 5 -20.235 6.776 -1.647 29 HB3 TYR 5 1HB TYR 5 -21.870 7.025 -2.258 30 HD1 TYR 5 2HD TYR 5 -23.008 5.250 -3.524 31 HD2 TYR 5 1HD TYR 5 -19.122 4.651 -1.901 32 HE1 TYR 5 2HE TYR 5 -23.238 2.825 -3.868 33 HE2 TYR 5 1HE TYR 5 -19.340 2.232 -2.248 34 HH TYR 5 HH TYR 5 -21.147 0.565 -2.451 35 H LYS 6 H LYS 6 -18.294 8.402 -2.668 36 HA LYS 6 HA LYS 6 -19.404 11.106 -2.789 37 HB2 LYS 6 2HB LYS 6 -17.298 11.680 -1.470 38 HB3 LYS 6 1HB LYS 6 -18.537 10.748 -0.649 39 HG2 LYS 6 2HG LYS 6 -17.268 8.741 -0.849 40 HG3 LYS 6 1HG LYS 6 -16.108 9.519 -1.930 41 HD2 LYS 6 2HD LYS 6 -15.190 10.814 -0.214 42 HD3 LYS 6 1HD LYS 6 -16.582 10.564 0.840 43 HE2 LYS 6 2HE LYS 6 -14.693 8.371 0.006 44 HE3 LYS 6 1HE LYS 6 -14.510 9.306 1.490 45 HZ1 LYS 6 3HZ LYS 6 -16.849 8.563 2.028 46 HZ2 LYS 6 1HZ LYS 6 -15.654 7.359 2.085 47 HZ3 LYS 6 2HZ LYS 6 -16.706 7.454 0.756 48 H LEU 7 H LEU 7 -18.269 9.397 -5.003 49 HA LEU 7 HA LEU 7 -17.253 9.729 -6.989 50 HB2 LEU 7 2HB LEU 7 -16.926 12.550 -5.994 51 HB3 LEU 7 1HB LEU 7 -16.518 12.024 -7.616 52 HG LEU 7 HG LEU 7 -19.275 11.972 -6.382 53 HD11 LEU 7 1HD1 LEU 7 -18.499 14.219 -6.899 54 HD12 LEU 7 2HD1 LEU 7 -19.773 13.722 -8.011 55 HD13 LEU 7 3HD1 LEU 7 -18.090 13.714 -8.538 56 HD21 LEU 7 3HD2 LEU 7 -18.338 11.222 -9.153 57 HD22 LEU 7 1HD2 LEU 7 -20.023 11.371 -8.650 58 HD23 LEU 7 2HD2 LEU 7 -18.997 10.130 -7.933 59 H LEU 8 H LEU 8 -15.490 10.720 -4.149 60 HA LEU 8 HA LEU 8 -12.926 10.457 -5.471 61 HB2 LEU 8 2HB LEU 8 -13.318 12.138 -3.690 62 HB3 LEU 8 1HB LEU 8 -13.584 10.836 -2.547 63 HG LEU 8 HG LEU 8 -11.254 10.091 -2.860 64 HD11 LEU 8 1HD1 LEU 8 -9.686 11.566 -4.055 65 HD12 LEU 8 2HD1 LEU 8 -11.052 12.523 -4.632 66 HD13 LEU 8 3HD1 LEU 8 -10.880 10.838 -5.130 67 HD21 LEU 8 3HD2 LEU 8 -10.196 11.967 -1.700 68 HD22 LEU 8 1HD2 LEU 8 -11.809 11.643 -1.062 69 HD23 LEU 8 2HD2 LEU 8 -11.549 13.007 -2.148 70 H ASN 9 H ASN 9 -11.661 8.693 -5.441 71 HA ASN 9 HA ASN 9 -12.949 6.234 -4.655 72 HB2 ASN 9 2HB ASN 9 -11.927 6.308 -6.835 73 HB3 ASN 9 1HB ASN 9 -10.382 6.794 -6.150 74 HD21 ASN 9 1HD2 ASN 9 -12.615 4.163 -6.611 75 HD22 ASN 9 2HD2 ASN 9 -11.517 2.896 -6.199 76 H GLY 10 H GLY 10 -10.485 8.275 -3.329 77 HA2 GLY 10 2HA GLY 10 -9.935 6.299 -1.285 78 HA3 GLY 10 1HA GLY 10 -8.587 6.637 -2.356 79 H ILE 11 H ILE 11 -8.229 7.028 0.232 80 HA ILE 11 HA ILE 11 -8.680 9.893 0.799 81 HB ILE 11 HB ILE 11 -8.152 7.694 2.809 82 HG12 ILE 11 2HG1 ILE 11 -10.273 7.251 1.664 83 HG13 ILE 11 1HG1 ILE 11 -10.545 7.740 3.334 84 HG21 ILE 11 1HG2 ILE 11 -9.133 10.521 3.139 85 HG22 ILE 11 2HG2 ILE 11 -7.574 9.872 3.649 86 HG23 ILE 11 3HG2 ILE 11 -9.054 9.321 4.430 87 HD11 ILE 11 3HD1 ILE 11 -11.109 9.996 2.578 88 HD12 ILE 11 1HD1 ILE 11 -12.160 8.777 1.855 89 HD13 ILE 11 2HD1 ILE 11 -10.855 9.493 0.907 90 H LYS 12 H LYS 12 -6.919 10.945 2.050 91 HA LYS 12 HA LYS 12 -4.343 10.064 0.971 92 HB2 LYS 12 2HB LYS 12 -5.070 12.313 0.338 93 HB3 LYS 12 1HB LYS 12 -5.225 12.756 2.033 94 HG2 LYS 12 2HG LYS 12 -3.186 13.664 1.095 95 HG3 LYS 12 1HG LYS 12 -2.816 12.463 2.332 96 HD2 LYS 12 2HD LYS 12 -2.396 10.792 0.593 97 HD3 LYS 12 1HD LYS 12 -2.785 11.981 -0.651 98 HE2 LYS 12 2HE LYS 12 -0.522 12.186 1.336 99 HE3 LYS 12 1HE LYS 12 -0.362 11.716 -0.356 100 HZ1 LYS 12 3HZ LYS 12 -1.348 14.345 0.620 101 HZ2 LYS 12 1HZ LYS 12 -1.186 13.891 -1.006 102 HZ3 LYS 12 2HZ LYS 12 0.190 14.042 -0.026 103 H LEU 13 H LEU 13 -2.895 9.214 2.246 104 HA LEU 13 HA LEU 13 -2.888 9.915 5.092 105 HB2 LEU 13 2HB LEU 13 -2.250 7.530 5.552 106 HB3 LEU 13 1HB LEU 13 -3.906 7.788 5.045 107 HG LEU 13 HG LEU 13 -1.855 7.006 3.005 108 HD11 LEU 13 1HD1 LEU 13 -2.326 4.654 3.433 109 HD12 LEU 13 2HD1 LEU 13 -3.314 5.092 4.825 110 HD13 LEU 13 3HD1 LEU 13 -1.580 5.407 4.840 111 HD21 LEU 13 3HD2 LEU 13 -4.079 7.679 2.245 112 HD22 LEU 13 1HD2 LEU 13 -4.813 6.478 3.313 113 HD23 LEU 13 2HD2 LEU 13 -3.812 5.957 1.958 114 H GLY 14 H GLY 14 -0.939 10.224 6.004 115 HA2 GLY 14 2HA GLY 14 1.395 9.975 4.239 116 HA3 GLY 14 1HA GLY 14 1.270 11.045 5.629 117 H VAL 15 H VAL 15 2.617 8.238 4.539 118 HA VAL 15 HA VAL 15 2.621 6.997 7.208 119 HB VAL 15 HB VAL 15 3.487 5.739 4.588 120 HG11 VAL 15 1HG1 VAL 15 4.557 4.771 6.556 121 HG12 VAL 15 2HG1 VAL 15 3.420 3.646 5.815 122 HG13 VAL 15 3HG1 VAL 15 2.973 4.508 7.285 123 HG21 VAL 15 3HG2 VAL 15 0.905 5.411 6.103 124 HG22 VAL 15 1HG2 VAL 15 1.390 4.488 4.681 125 HG23 VAL 15 2HG2 VAL 15 1.102 6.224 4.550 126 H TYR 16 H TYR 16 4.443 6.898 8.380 127 HA TYR 16 HA TYR 16 6.941 7.821 7.138 128 HB2 TYR 16 2HB TYR 16 5.760 8.164 9.817 129 HB3 TYR 16 1HB TYR 16 7.486 7.804 9.805 130 HD1 TYR 16 2HD TYR 16 8.394 9.160 7.406 131 HD2 TYR 16 1HD TYR 16 5.584 10.433 10.329 132 HE1 TYR 16 2HE TYR 16 8.898 11.487 6.852 133 HE2 TYR 16 1HE TYR 16 6.079 12.782 9.788 134 HH TYR 16 HH TYR 16 7.983 14.074 8.818 135 H ILE 17 H ILE 17 8.401 6.324 6.671 136 HA ILE 17 HA ILE 17 8.664 4.037 8.482 137 HB ILE 17 HB ILE 17 8.576 2.395 6.874 138 HG12 ILE 17 2HG1 ILE 17 8.894 4.425 4.656 139 HG13 ILE 17 1HG1 ILE 17 10.219 3.482 5.338 140 HG21 ILE 17 1HG2 ILE 17 6.365 3.372 7.114 141 HG22 ILE 17 2HG2 ILE 17 6.601 2.736 5.486 142 HG23 ILE 17 3HG2 ILE 17 6.694 4.473 5.777 143 HD11 ILE 17 3HD1 ILE 17 8.970 1.418 4.690 144 HD12 ILE 17 1HD1 ILE 17 9.519 2.413 3.335 145 HD13 ILE 17 2HD1 ILE 17 7.828 2.459 3.835 146 HA PRO 18 HA PRO 18 12.972 4.809 8.597 147 HB2 PRO 18 2HB PRO 18 13.315 1.912 7.979 148 HB3 PRO 18 1HB PRO 18 13.999 2.870 9.298 149 HG2 PRO 18 2HG PRO 18 11.977 1.214 9.756 150 HG3 PRO 18 1HG PRO 18 12.039 2.805 10.537 151 HD2 PRO 18 2HD PRO 18 10.366 1.885 8.243 152 HD3 PRO 18 1HD PRO 18 9.964 3.009 9.558 153 H GLN 19 H GLN 19 14.654 5.271 7.273 154 HA GLN 19 HA GLN 19 14.196 5.262 4.474 155 HB2 GLN 19 2HB GLN 19 16.185 6.480 4.273 156 HB3 GLN 19 1HB GLN 19 15.587 6.925 5.865 157 HG2 GLN 19 2HG GLN 19 17.421 6.173 6.843 158 HG3 GLN 19 1HG GLN 19 17.285 4.611 6.028 159 HE21 GLN 19 1HE2 GLN 19 18.250 4.372 3.957 160 HE22 GLN 19 2HE2 GLN 19 19.563 5.392 3.476 161 H GLU 20 H GLU 20 15.862 3.134 6.642 162 HA GLU 20 HA GLU 20 17.430 1.621 4.933 163 HB2 GLU 20 2HB GLU 20 15.746 0.732 7.287 164 HB3 GLU 20 1HB GLU 20 17.009 -0.238 6.540 165 HG2 GLU 20 2HG GLU 20 18.701 1.086 7.361 166 HG3 GLU 20 1HG GLU 20 17.656 2.492 7.543 167 H TRP 21 H TRP 21 13.972 1.584 5.488 168 HA TRP 21 HA TRP 21 13.463 -0.671 3.791 169 HB2 TRP 21 2HB TRP 21 11.681 1.457 4.974 170 HB3 TRP 21 1HB TRP 21 11.077 0.172 3.939 171 HD1 TRP 21 HD TRP 21 13.621 -1.353 6.127 172 HE1 TRP 21 1HE TRP 21 12.475 -2.512 8.132 173 HE3 TRP 21 3HE TRP 21 8.993 0.678 5.659 174 HZ2 TRP 21 2HZ TRP 21 9.901 -2.536 9.346 175 HZ3 TRP 21 3HZ TRP 21 7.243 0.056 7.253 176 HH2 TRP 21 HH TRP 21 7.680 -1.507 9.040 177 H HIS 22 H HIS 22 13.453 2.838 3.529 178 HA HIS 22 HA HIS 22 12.248 3.033 1.010 179 HB2 HIS 22 2HB HIS 22 14.124 4.803 2.529 180 HB3 HIS 22 1HB HIS 22 13.747 5.175 0.847 181 HD1 HIS 22 1HD HIS 22 11.665 6.464 0.437 182 HD2 HIS 22 2HD HIS 22 11.718 4.703 4.210 183 HE1 HIS 22 1HE HIS 22 9.595 7.293 1.605 184 HE2 HIS 22 2HE HIS 22 9.718 6.322 3.930 185 H ASP 23 H ASP 23 15.668 2.688 1.889 186 HA ASP 23 HA ASP 23 16.760 2.713 -0.668 187 HB2 ASP 23 2HB ASP 23 18.120 2.750 1.359 188 HB3 ASP 23 1HB ASP 23 17.620 1.110 1.752 189 H ARG 24 H ARG 24 15.629 -0.114 1.211 190 HA ARG 24 HA ARG 24 16.282 -1.971 -0.861 191 HB2 ARG 24 2HB ARG 24 14.765 -2.134 1.719 192 HB3 ARG 24 1HB ARG 24 14.682 -3.469 0.580 193 HG2 ARG 24 2HG ARG 24 16.366 -3.793 2.351 194 HG3 ARG 24 1HG ARG 24 17.054 -3.815 0.729 195 HD2 ARG 24 2HD ARG 24 18.024 -1.708 0.990 196 HD3 ARG 24 1HD ARG 24 17.022 -1.310 2.385 197 HE ARG 24 HE ARG 24 18.408 -3.428 3.287 198 HH11 ARG 24 1HH1 ARG 24 19.534 -0.554 1.584 199 HH12 ARG 24 2HH1 ARG 24 21.028 -0.486 2.469 200 HH21 ARG 24 1HH2 ARG 24 20.377 -3.319 4.415 201 HH22 ARG 24 2HH2 ARG 24 21.509 -2.049 4.055 202 H LEU 25 H LEU 25 13.251 -0.523 0.239 203 HA LEU 25 HA LEU 25 11.599 -1.985 -1.524 204 HB2 LEU 25 2HB LEU 25 11.147 0.573 -0.006 205 HB3 LEU 25 1HB LEU 25 9.910 -0.178 -0.998 206 HG LEU 25 HG LEU 25 11.229 -1.438 1.406 207 HD11 LEU 25 1HD1 LEU 25 9.044 -1.142 2.463 208 HD12 LEU 25 2HD1 LEU 25 8.472 -0.286 1.030 209 HD13 LEU 25 3HD1 LEU 25 9.766 0.402 2.011 210 HD21 LEU 25 3HD2 LEU 25 9.516 -3.173 1.154 211 HD22 LEU 25 1HD2 LEU 25 10.577 -3.100 -0.254 212 HD23 LEU 25 2HD2 LEU 25 8.960 -2.404 -0.332 213 H MET 26 H MET 26 13.182 1.186 -1.795 214 HA MET 26 HA MET 26 11.876 1.938 -4.180 215 HB2 MET 26 2HB MET 26 14.401 2.812 -2.855 216 HB3 MET 26 1HB MET 26 14.085 3.322 -4.509 217 HG2 MET 26 2HG MET 26 12.304 3.818 -2.133 218 HG3 MET 26 1HG MET 26 13.379 4.995 -2.887 219 HE1 MET 26 3HE MET 26 13.049 4.381 -5.963 220 HE2 MET 26 1HE MET 26 12.997 6.021 -5.313 221 HE3 MET 26 2HE MET 26 11.732 5.467 -6.410 222 H GLU 27 H GLU 27 14.696 -0.083 -3.598 223 HA GLU 27 HA GLU 27 15.477 -0.246 -6.313 224 HB2 GLU 27 2HB GLU 27 16.449 -1.254 -3.947 225 HB3 GLU 27 1HB GLU 27 15.860 -2.703 -4.756 226 HG2 GLU 27 2HG GLU 27 18.251 -2.166 -5.194 227 HG3 GLU 27 1HG GLU 27 17.253 -2.306 -6.647 228 H ILE 28 H ILE 28 13.284 -2.173 -4.336 229 HA ILE 28 HA ILE 28 12.432 -3.961 -6.359 230 HB ILE 28 HB ILE 28 10.917 -2.968 -3.932 231 HG12 ILE 28 2HG1 ILE 28 12.622 -5.444 -4.281 232 HG13 ILE 28 1HG1 ILE 28 13.117 -3.995 -3.414 233 HG21 ILE 28 1HG2 ILE 28 9.444 -4.018 -5.568 234 HG22 ILE 28 2HG2 ILE 28 9.611 -5.022 -4.128 235 HG23 ILE 28 3HG2 ILE 28 10.484 -5.442 -5.603 236 HD11 ILE 28 3HD1 ILE 28 10.843 -5.822 -2.675 237 HD12 ILE 28 1HD1 ILE 28 11.292 -4.348 -1.819 238 HD13 ILE 28 2HD1 ILE 28 12.408 -5.712 -1.871 239 H ALA 29 H ALA 29 11.437 -0.770 -5.373 240 HA ALA 29 HA ALA 29 9.045 -0.522 -6.808 241 HB1 ALA 29 1HB ALA 29 9.311 1.872 -6.467 242 HB2 ALA 29 2HB ALA 29 11.000 1.634 -6.022 243 HB3 ALA 29 3HB ALA 29 9.721 0.984 -5.000 244 H LYS 30 H LYS 30 12.386 -0.186 -7.811 245 HA LYS 30 HA LYS 30 11.707 1.079 -10.308 246 HB2 LYS 30 2HB LYS 30 14.282 -0.311 -9.533 247 HB3 LYS 30 1HB LYS 30 14.049 0.744 -10.921 248 HG2 LYS 30 2HG LYS 30 13.543 2.599 -9.331 249 HG3 LYS 30 1HG LYS 30 13.995 1.516 -8.012 250 HD2 LYS 30 2HD LYS 30 16.208 1.203 -9.188 251 HD3 LYS 30 1HD LYS 30 15.733 2.519 -10.261 252 HE2 LYS 30 2HE LYS 30 17.094 3.453 -8.544 253 HE3 LYS 30 1HE LYS 30 15.431 3.949 -8.226 254 HZ1 LYS 30 3HZ LYS 30 16.843 1.695 -6.897 255 HZ2 LYS 30 1HZ LYS 30 15.259 2.205 -6.573 256 HZ3 LYS 30 2HZ LYS 30 16.561 3.223 -6.209 257 H GLU 31 H GLU 31 12.284 -2.151 -9.125 258 HA GLU 31 HA GLU 31 12.376 -3.470 -11.612 259 HB2 GLU 31 2HB GLU 31 13.029 -4.513 -9.463 260 HB3 GLU 31 1HB GLU 31 11.337 -4.545 -8.985 261 HG2 GLU 31 2HG GLU 31 10.854 -5.985 -10.937 262 HG3 GLU 31 1HG GLU 31 12.578 -6.019 -11.299 263 H LYS 32 H LYS 32 9.636 -2.589 -9.517 264 HA LYS 32 HA LYS 32 7.789 -3.837 -11.408 265 HB2 LYS 32 2HB LYS 32 7.432 -2.730 -8.638 266 HB3 LYS 32 1HB LYS 32 6.058 -3.122 -9.656 267 HG2 LYS 32 2HG LYS 32 6.306 -5.013 -8.353 268 HG3 LYS 32 1HG LYS 32 7.138 -5.452 -9.843 269 HD2 LYS 32 2HD LYS 32 9.274 -5.074 -8.857 270 HD3 LYS 32 1HD LYS 32 8.550 -4.339 -7.426 271 HE2 LYS 32 2HE LYS 32 9.218 -6.560 -6.852 272 HE3 LYS 32 1HE LYS 32 7.458 -6.535 -6.946 273 HZ1 LYS 32 3HZ LYS 32 7.717 -7.409 -9.265 274 HZ2 LYS 32 1HZ LYS 32 8.190 -8.477 -8.033 275 HZ3 LYS 32 2HZ LYS 32 9.367 -7.640 -8.925 276 H ASN 33 H ASN 33 9.161 -0.857 -11.026 277 HA ASN 33 HA ASN 33 8.712 1.268 -11.679 278 HB2 ASN 33 2HB ASN 33 8.210 0.096 -13.854 279 HB3 ASN 33 1HB ASN 33 6.512 0.089 -13.390 280 HD21 ASN 33 1HD2 ASN 33 9.231 2.081 -14.273 281 HD22 ASN 33 2HD2 ASN 33 8.320 3.491 -14.700 282 H LEU 34 H LEU 34 7.889 0.964 -9.332 283 HA LEU 34 HA LEU 34 5.256 2.236 -9.164 284 HB2 LEU 34 2HB LEU 34 6.166 -0.184 -7.612 285 HB3 LEU 34 1HB LEU 34 4.859 0.852 -7.065 286 HG LEU 34 HG LEU 34 4.875 -0.661 -9.667 287 HD11 LEU 34 1HD1 LEU 34 4.773 -2.195 -7.796 288 HD12 LEU 34 2HD1 LEU 34 3.201 -2.103 -8.591 289 HD13 LEU 34 3HD1 LEU 34 3.472 -1.254 -7.069 290 HD21 LEU 34 3HD2 LEU 34 2.709 0.906 -8.278 291 HD22 LEU 34 1HD2 LEU 34 2.497 -0.063 -9.737 292 HD23 LEU 34 2HD2 LEU 34 3.538 1.360 -9.769 293 H THR 35 H THR 35 4.935 3.233 -6.995 294 HA THR 35 HA THR 35 7.480 4.063 -5.792 295 HB THR 35 HB THR 35 6.033 5.770 -4.613 296 HG1 THR 35 1HG THR 35 3.947 5.499 -4.785 297 HG21 THR 35 3HG2 THR 35 7.305 6.390 -6.595 298 HG22 THR 35 1HG2 THR 35 5.744 7.211 -6.593 299 HG23 THR 35 2HG2 THR 35 6.003 5.810 -7.634 300 H LEU 36 H LEU 36 7.817 3.745 -3.567 301 HA LEU 36 HA LEU 36 6.858 1.322 -2.568 302 HB2 LEU 36 2HB LEU 36 7.896 2.199 -0.363 303 HB3 LEU 36 1HB LEU 36 8.919 1.838 -1.735 304 HG LEU 36 HG LEU 36 8.881 4.309 -2.279 305 HD11 LEU 36 1HD1 LEU 36 7.754 4.506 0.512 306 HD12 LEU 36 2HD1 LEU 36 6.902 4.923 -0.973 307 HD13 LEU 36 3HD1 LEU 36 8.318 5.850 -0.479 308 HD21 LEU 36 3HD2 LEU 36 10.062 3.428 0.348 309 HD22 LEU 36 1HD2 LEU 36 10.563 4.840 -0.583 310 HD23 LEU 36 2HD2 LEU 36 10.788 3.220 -1.244 311 H SER 37 H SER 37 5.470 4.446 -2.327 312 HA SER 37 HA SER 37 3.767 4.042 -0.131 313 HB2 SER 37 2HB SER 37 2.292 5.712 -1.411 314 HB3 SER 37 1HB SER 37 3.921 6.245 -0.993 315 HG SER 37 HG SER 37 2.927 6.374 -3.324 316 H ASP 38 H ASP 38 3.311 3.386 -3.605 317 HA ASP 38 HA ASP 38 0.731 2.239 -3.337 318 HB2 ASP 38 2HB ASP 38 1.801 3.113 -5.487 319 HB3 ASP 38 1HB ASP 38 2.707 1.600 -5.544 320 H VAL 39 H VAL 39 3.988 0.940 -3.376 321 HA VAL 39 HA VAL 39 3.300 -1.796 -3.337 322 HB VAL 39 HB VAL 39 5.785 -0.496 -2.204 323 HG11 VAL 39 1HG1 VAL 39 6.845 -2.671 -2.624 324 HG12 VAL 39 2HG1 VAL 39 5.286 -3.325 -3.124 325 HG13 VAL 39 3HG1 VAL 39 5.527 -2.798 -1.459 326 HG21 VAL 39 3HG2 VAL 39 5.226 -1.536 -4.979 327 HG22 VAL 39 1HG2 VAL 39 6.796 -0.990 -4.391 328 HG23 VAL 39 2HG2 VAL 39 5.457 0.152 -4.518 329 H CYS 40 H CYS 40 3.549 0.626 -0.823 330 HA CYS 40 HA CYS 40 3.617 -1.190 1.362 331 HB2 CYS 40 2HB CYS 40 4.250 1.346 1.286 332 HB3 CYS 40 1HB CYS 40 2.540 1.614 1.579 333 HG CYS 40 HG CYS 40 3.275 -0.489 3.822 334 H ARG 41 H ARG 41 0.907 0.758 0.012 335 HA ARG 41 HA ARG 41 -1.065 -0.522 1.503 336 HB2 ARG 41 2HB ARG 41 -2.663 0.357 -0.105 337 HB3 ARG 41 1HB ARG 41 -1.465 1.571 0.302 338 HG2 ARG 41 2HG ARG 41 -1.605 1.880 -1.942 339 HG3 ARG 41 1HG ARG 41 -0.308 0.685 -1.885 340 HD2 ARG 41 2HD ARG 41 -1.927 -1.095 -2.324 341 HD3 ARG 41 1HD ARG 41 -3.230 0.096 -2.362 342 HE ARG 41 HE ARG 41 -1.141 0.690 -4.228 343 HH11 ARG 41 1HH1 ARG 41 -4.030 -1.238 -3.758 344 HH12 ARG 41 2HH1 ARG 41 -4.345 -1.411 -5.455 345 HH21 ARG 41 1HH2 ARG 41 -1.541 0.487 -6.433 346 HH22 ARG 41 2HH2 ARG 41 -2.944 -0.389 -6.991 347 H LEU 42 H LEU 42 0.498 -1.481 -1.536 348 HA LEU 42 HA LEU 42 -1.183 -3.695 -2.081 349 HB2 LEU 42 2HB LEU 42 1.717 -3.171 -2.730 350 HB3 LEU 42 1HB LEU 42 0.871 -4.609 -3.268 351 HG LEU 42 HG LEU 42 0.105 -1.779 -3.986 352 HD11 LEU 42 1HD1 LEU 42 2.217 -2.408 -5.006 353 HD12 LEU 42 2HD1 LEU 42 0.940 -2.376 -6.224 354 HD13 LEU 42 3HD1 LEU 42 1.513 -3.918 -5.584 355 HD21 LEU 42 3HD2 LEU 42 -1.795 -3.318 -3.933 356 HD22 LEU 42 1HD2 LEU 42 -0.927 -4.433 -4.987 357 HD23 LEU 42 2HD2 LEU 42 -1.404 -2.845 -5.586 358 H ALA 43 H ALA 43 1.432 -3.151 0.111 359 HA ALA 43 HA ALA 43 1.874 -5.848 0.818 360 HB1 ALA 43 1HB ALA 43 3.551 -4.146 1.196 361 HB2 ALA 43 2HB ALA 43 3.118 -4.949 2.705 362 HB3 ALA 43 3HB ALA 43 2.487 -3.341 2.348 363 H ILE 44 H ILE 44 -0.356 -3.371 1.878 364 HA ILE 44 HA ILE 44 -1.231 -4.664 4.258 365 HB ILE 44 HB ILE 44 -2.758 -2.728 2.497 366 HG12 ILE 44 2HG1 ILE 44 -1.003 -2.284 4.920 367 HG13 ILE 44 1HG1 ILE 44 -0.726 -1.695 3.282 368 HG21 ILE 44 1HG2 ILE 44 -4.235 -3.996 3.957 369 HG22 ILE 44 2HG2 ILE 44 -4.129 -2.316 4.488 370 HG23 ILE 44 3HG2 ILE 44 -3.243 -3.572 5.352 371 HD11 ILE 44 3HD1 ILE 44 -2.994 -0.848 5.076 372 HD12 ILE 44 1HD1 ILE 44 -2.658 -0.239 3.459 373 HD13 ILE 44 2HD1 ILE 44 -1.521 0.074 4.768 374 H LYS 45 H LYS 45 -2.301 -4.628 0.919 375 HA LYS 45 HA LYS 45 -4.491 -6.326 1.131 376 HB2 LYS 45 2HB LYS 45 -4.098 -5.089 -0.883 377 HB3 LYS 45 1HB LYS 45 -2.539 -5.857 -1.120 378 HG2 LYS 45 2HG LYS 45 -3.547 -7.923 -1.708 379 HG3 LYS 45 1HG LYS 45 -5.140 -7.363 -1.190 380 HD2 LYS 45 2HD LYS 45 -5.297 -5.842 -2.998 381 HD3 LYS 45 1HD LYS 45 -3.585 -6.022 -3.391 382 HE2 LYS 45 2HE LYS 45 -5.504 -8.327 -3.524 383 HE3 LYS 45 1HE LYS 45 -5.273 -7.226 -4.882 384 HZ1 LYS 45 3HZ LYS 45 -3.886 -9.303 -4.884 385 HZ2 LYS 45 1HZ LYS 45 -3.018 -8.652 -3.583 386 HZ3 LYS 45 2HZ LYS 45 -3.033 -7.852 -5.083 387 H GLU 46 H GLU 46 -1.063 -7.011 0.823 388 HA GLU 46 HA GLU 46 -1.307 -9.841 0.562 389 HB2 GLU 46 2HB GLU 46 0.693 -8.274 -0.014 390 HB3 GLU 46 1HB GLU 46 1.093 -8.413 1.692 391 HG2 GLU 46 2HG GLU 46 2.399 -10.034 0.676 392 HG3 GLU 46 1HG GLU 46 1.024 -10.940 1.309 393 H TYR 47 H TYR 47 -0.916 -7.559 3.181 394 HA TYR 47 HA TYR 47 -0.357 -9.364 5.252 395 HB2 TYR 47 2HB TYR 47 0.013 -6.895 5.329 396 HB3 TYR 47 1HB TYR 47 -1.726 -6.675 5.450 397 HD1 TYR 47 1HD TYR 47 1.275 -7.879 7.187 398 HD2 TYR 47 2HD TYR 47 -2.872 -7.017 7.543 399 HE1 TYR 47 1HE TYR 47 1.467 -8.018 9.632 400 HE2 TYR 47 2HE TYR 47 -2.696 -7.159 9.994 401 HH TYR 47 HH TYR 47 0.331 -7.273 11.615 402 H LEU 48 H LEU 48 -3.379 -7.967 4.067 403 HA LEU 48 HA LEU 48 -5.071 -9.145 5.998 404 HB2 LEU 48 2HB LEU 48 -5.740 -8.295 3.176 405 HB3 LEU 48 1HB LEU 48 -6.898 -8.599 4.456 406 HG LEU 48 HG LEU 48 -4.858 -6.374 4.407 407 HD11 LEU 48 1HD1 LEU 48 -6.689 -6.043 2.833 408 HD12 LEU 48 2HD1 LEU 48 -6.797 -4.914 4.183 409 HD13 LEU 48 3HD1 LEU 48 -7.859 -6.320 4.123 410 HD21 LEU 48 3HD2 LEU 48 -5.952 -5.576 6.433 411 HD22 LEU 48 1HD2 LEU 48 -5.282 -7.188 6.679 412 HD23 LEU 48 2HD2 LEU 48 -7.014 -6.983 6.428 413 H ASP 49 H ASP 49 -4.256 -10.074 2.684 414 HA ASP 49 HA ASP 49 -5.788 -12.406 2.534 415 HB2 ASP 49 2HB ASP 49 -4.843 -11.379 0.560 416 HB3 ASP 49 1HB ASP 49 -3.210 -11.637 1.160 417 H ASN 50 H ASN 50 -2.694 -11.803 4.001 418 HA ASN 50 HA ASN 50 -2.004 -14.588 4.293 419 HB2 ASN 50 2HB ASN 50 -0.324 -12.746 4.035 420 HB3 ASN 50 1HB ASN 50 -0.774 -12.167 5.631 421 HD21 ASN 50 1HD2 ASN 50 1.767 -13.119 4.598 422 HD22 ASN 50 2HD2 ASN 50 2.249 -14.433 5.615 423 H HIS 51 H HIS 51 -3.278 -12.012 6.377 424 HA HIS 51 HA HIS 51 -3.064 -13.750 8.697 425 HB2 HIS 51 2HB HIS 51 -3.678 -10.838 8.337 426 HB3 HIS 51 1HB HIS 51 -4.030 -11.643 9.863 427 HD1 HIS 51 1HD HIS 51 -2.208 -11.380 11.503 428 HD2 HIS 51 2HD HIS 51 -0.768 -11.451 7.598 429 HE1 HIS 51 1HE HIS 51 0.284 -11.091 11.688 430 HE2 HIS 51 2HE HIS 51 1.155 -11.280 9.328 431 H ASP 52 H ASP 52 -5.570 -12.546 6.569 432 HA ASP 52 HA ASP 52 -7.565 -13.834 8.302 433 HB2 ASP 52 2HB ASP 52 -7.928 -11.462 7.303 434 HB3 ASP 52 1HB ASP 52 -8.251 -12.317 5.795 435 H LYS 53 H LYS 53 -8.473 -15.706 7.734 436 HA LYS 53 HA LYS 53 -7.511 -16.897 5.233 437 HB2 LYS 53 2HB LYS 53 -8.359 -18.194 7.826 438 HB3 LYS 53 1HB LYS 53 -7.927 -19.086 6.372 439 HG2 LYS 53 2HG LYS 53 -5.684 -18.130 6.441 440 HG3 LYS 53 1HG LYS 53 -6.114 -17.213 7.884 441 HD2 LYS 53 2HD LYS 53 -6.193 -20.221 7.705 442 HD3 LYS 53 1HD LYS 53 -4.823 -19.304 8.330 443 HE2 LYS 53 2HE LYS 53 -6.325 -18.312 10.034 444 HE3 LYS 53 1HE LYS 53 -7.626 -19.345 9.444 445 HZ1 LYS 53 3HZ LYS 53 -6.518 -20.282 11.392 446 HZ2 LYS 53 1HZ LYS 53 -5.043 -20.315 10.555 447 HZ3 LYS 53 2HZ LYS 53 -6.336 -21.282 10.035 448 H GLN 54 H GLN 54 -10.396 -16.662 7.303 449 HA GLN 54 HA GLN 54 -12.098 -16.943 5.000 450 HB2 GLN 54 2HB GLN 54 -13.304 -18.934 5.953 451 HB3 GLN 54 1HB GLN 54 -11.693 -19.262 5.327 452 HG2 GLN 54 2HG GLN 54 -10.799 -19.225 7.597 453 HG3 GLN 54 1HG GLN 54 -12.411 -18.888 8.226 454 HE21 GLN 54 1HE2 GLN 54 -10.346 -21.268 6.754 455 HE22 GLN 54 2HE2 GLN 54 -11.346 -22.636 7.092 456 H LYS 55 H LYS 55 -11.727 -14.924 7.095 457 HA LYS 55 HA LYS 55 -14.185 -15.247 8.663 458 HB2 LYS 55 2HB LYS 55 -12.077 -13.094 8.900 459 HB3 LYS 55 1HB LYS 55 -13.430 -13.349 9.993 460 HG2 LYS 55 2HG LYS 55 -12.414 -15.701 10.328 461 HG3 LYS 55 1HG LYS 55 -10.956 -14.988 9.640 462 HD2 LYS 55 2HD LYS 55 -12.424 -14.110 12.123 463 HD3 LYS 55 1HD LYS 55 -10.826 -14.849 12.033 464 HE2 LYS 55 2HE LYS 55 -11.634 -12.118 11.043 465 HE3 LYS 55 1HE LYS 55 -10.580 -12.485 12.406 466 HZ1 LYS 55 3HZ LYS 55 -10.032 -12.859 9.520 467 HZ2 LYS 55 1HZ LYS 55 -9.082 -13.591 10.722 468 HZ3 LYS 55 2HZ LYS 55 -9.186 -11.899 10.629 469 H LYS 56 H LYS 56 -15.879 -13.871 8.576 470 HA LYS 56 HA LYS 56 -17.456 -12.588 7.603 471 HB2 LYS 56 2HB LYS 56 -15.112 -10.921 6.669 472 HB3 LYS 56 1HB LYS 56 -16.793 -10.406 6.708 473 HG2 LYS 56 2HG LYS 56 -16.771 -10.754 9.172 474 HG3 LYS 56 1HG LYS 56 -15.039 -11.063 9.061 475 HD2 LYS 56 2HD LYS 56 -14.775 -8.817 8.016 476 HD3 LYS 56 1HD LYS 56 -16.487 -8.522 8.333 477 HE2 LYS 56 2HE LYS 56 -16.046 -8.945 10.744 478 HE3 LYS 56 1HE LYS 56 -14.328 -9.056 10.367 479 HZ1 LYS 56 3HZ LYS 56 -14.560 -6.876 11.012 480 HZ2 LYS 56 1HZ LYS 56 -16.093 -6.703 10.306 481 HZ3 LYS 56 2HZ LYS 56 -14.713 -6.739 9.326 482 H1 GLY 2 1HT GLY 2 23.094 3.614 20.864 483 H2 GLY 2 2HT GLY 2 23.625 3.234 19.304 484 H3 GLY 2 3HT GLY 2 23.392 2.004 20.439 485 HA2 GLY 2 1HA GLY 2 21.571 2.035 18.865 486 HA3 GLY 2 2HA GLY 2 21.019 2.446 20.485 487 H ARG 3 H ARG 3 22.645 4.311 17.932 488 HA ARG 3 HA ARG 3 20.436 6.259 18.067 489 HB2 ARG 3 2HB ARG 3 23.406 6.735 17.743 490 HB3 ARG 3 1HB ARG 3 22.188 7.974 17.471 491 HG2 ARG 3 2HG ARG 3 22.566 6.511 20.071 492 HG3 ARG 3 1HG ARG 3 23.263 8.089 19.697 493 HD2 ARG 3 2HD ARG 3 21.073 9.048 19.436 494 HD3 ARG 3 1HD ARG 3 20.315 7.467 19.633 495 HE ARG 3 HE ARG 3 21.713 7.761 21.928 496 HH11 ARG 3 1HH1 ARG 3 19.423 9.873 20.295 497 HH12 ARG 3 2HH1 ARG 3 18.810 10.534 21.773 498 HH21 ARG 3 1HH2 ARG 3 20.903 8.641 23.846 499 HH22 ARG 3 2HH2 ARG 3 19.648 9.847 23.788 500 HA PRO 4 HA PRO 4 19.922 5.602 13.677 501 HB2 PRO 4 2HB PRO 4 19.200 8.492 13.746 502 HB3 PRO 4 1HB PRO 4 18.306 7.126 13.070 503 HG2 PRO 4 2HG PRO 4 17.537 8.240 15.356 504 HG3 PRO 4 1HG PRO 4 17.470 6.480 15.139 505 HD2 PRO 4 2HD PRO 4 19.455 8.131 16.649 506 HD3 PRO 4 1HD PRO 4 18.765 6.547 17.057 507 H TYR 5 H TYR 5 21.075 6.096 11.808 508 HA TYR 5 HA TYR 5 23.693 7.127 12.413 509 HB2 TYR 5 2HB TYR 5 22.608 5.917 9.866 510 HB3 TYR 5 1HB TYR 5 24.302 6.271 10.186 511 HD1 TYR 5 2HD TYR 5 25.500 5.007 11.973 512 HD2 TYR 5 1HD TYR 5 21.590 3.931 10.689 513 HE1 TYR 5 2HE TYR 5 25.782 2.788 12.992 514 HE2 TYR 5 1HE TYR 5 21.856 1.713 11.712 515 HH TYR 5 HH TYR 5 24.285 0.988 13.912 516 H LYS 6 H LYS 6 20.871 8.432 11.009 517 HA LYS 6 HA LYS 6 22.373 10.806 10.291 518 HB2 LYS 6 2HB LYS 6 21.240 10.971 8.069 519 HB3 LYS 6 1HB LYS 6 22.429 9.685 8.191 520 HG2 LYS 6 2HG LYS 6 20.483 8.126 8.667 521 HG3 LYS 6 1HG LYS 6 19.438 9.452 8.148 522 HD2 LYS 6 2HD LYS 6 21.637 8.201 6.506 523 HD3 LYS 6 1HD LYS 6 19.912 7.890 6.315 524 HE2 LYS 6 2HE LYS 6 21.175 10.611 6.035 525 HE3 LYS 6 1HE LYS 6 20.892 9.518 4.682 526 HZ1 LYS 6 3HZ LYS 6 18.795 10.636 6.475 527 HZ2 LYS 6 1HZ LYS 6 18.523 9.581 5.171 528 HZ3 LYS 6 2HZ LYS 6 19.120 11.139 4.891 529 H LEU 7 H LEU 7 20.873 10.608 12.422 530 HA LEU 7 HA LEU 7 19.276 11.675 13.618 531 HB2 LEU 7 2HB LEU 7 18.756 13.186 11.062 532 HB3 LEU 7 1HB LEU 7 18.152 13.627 12.646 533 HG LEU 7 HG LEU 7 21.065 13.553 11.857 534 HD11 LEU 7 1HD1 LEU 7 19.841 15.324 10.715 535 HD12 LEU 7 2HD1 LEU 7 20.927 15.990 11.934 536 HD13 LEU 7 3HD1 LEU 7 19.196 15.885 12.257 537 HD21 LEU 7 3HD2 LEU 7 19.697 14.495 14.377 538 HD22 LEU 7 1HD2 LEU 7 21.403 14.735 13.994 539 HD23 LEU 7 2HD2 LEU 7 20.770 13.104 14.219 540 H LEU 8 H LEU 8 17.661 11.758 10.463 541 HA LEU 8 HA LEU 8 15.320 10.568 11.730 542 HB2 LEU 8 2HB LEU 8 15.159 12.689 10.414 543 HB3 LEU 8 1HB LEU 8 15.597 11.782 8.980 544 HG LEU 8 HG LEU 8 13.552 10.451 9.176 545 HD11 LEU 8 1HD1 LEU 8 12.927 12.226 11.532 546 HD12 LEU 8 2HD1 LEU 8 13.310 10.506 11.606 547 HD13 LEU 8 3HD1 LEU 8 11.835 11.048 10.805 548 HD21 LEU 8 3HD2 LEU 8 11.957 12.216 8.629 549 HD22 LEU 8 1HD2 LEU 8 13.518 12.512 7.862 550 HD23 LEU 8 2HD2 LEU 8 13.052 13.424 9.300 551 H ASN 9 H ASN 9 15.872 8.435 11.851 552 HA ASN 9 HA ASN 9 16.692 6.902 9.559 553 HB2 ASN 9 2HB ASN 9 17.341 6.341 11.897 554 HB3 ASN 9 1HB ASN 9 15.659 5.996 12.265 555 HD21 ASN 9 1HD2 ASN 9 17.325 5.089 9.278 556 HD22 ASN 9 2HD2 ASN 9 17.254 3.380 9.564 557 H GLY 10 H GLY 10 14.434 8.308 8.903 558 HA2 GLY 10 2HA GLY 10 12.627 6.231 8.110 559 HA3 GLY 10 1HA GLY 10 11.933 7.293 9.329 560 H ILE 11 H ILE 11 11.585 6.809 6.285 561 HA ILE 11 HA ILE 11 11.817 9.639 5.481 562 HB ILE 11 HB ILE 11 11.795 7.266 3.608 563 HG12 ILE 11 2HG1 ILE 11 13.800 7.171 5.016 564 HG13 ILE 11 1HG1 ILE 11 14.205 7.567 3.349 565 HG21 ILE 11 1HG2 ILE 11 12.432 10.178 3.186 566 HG22 ILE 11 2HG2 ILE 11 11.084 9.266 2.504 567 HG23 ILE 11 3HG2 ILE 11 12.734 8.914 1.995 568 HD11 ILE 11 3HD1 ILE 11 14.071 9.470 5.677 569 HD12 ILE 11 1HD1 ILE 11 14.372 9.944 4.007 570 HD13 ILE 11 2HD1 ILE 11 15.522 8.906 4.849 571 H LYS 12 H LYS 12 10.131 10.293 3.861 572 HA LYS 12 HA LYS 12 7.568 9.437 4.977 573 HB2 LYS 12 2HB LYS 12 7.998 11.745 5.317 574 HB3 LYS 12 1HB LYS 12 8.545 11.965 3.663 575 HG2 LYS 12 2HG LYS 12 6.409 12.978 3.877 576 HG3 LYS 12 1HG LYS 12 6.222 11.521 2.903 577 HD2 LYS 12 2HD LYS 12 5.399 10.320 4.879 578 HD3 LYS 12 1HD LYS 12 5.571 11.796 5.836 579 HE2 LYS 12 2HE LYS 12 3.789 11.439 3.428 580 HE3 LYS 12 1HE LYS 12 3.260 11.472 5.109 581 HZ1 LYS 12 3HZ LYS 12 4.603 13.719 3.704 582 HZ2 LYS 12 1HZ LYS 12 4.020 13.740 5.293 583 HZ3 LYS 12 2HZ LYS 12 2.940 13.606 3.997 584 H LEU 13 H LEU 13 6.043 8.520 3.808 585 HA LEU 13 HA LEU 13 6.061 8.850 0.903 586 HB2 LEU 13 2HB LEU 13 5.245 6.467 0.733 587 HB3 LEU 13 1HB LEU 13 6.946 6.681 1.088 588 HG LEU 13 HG LEU 13 4.995 6.199 3.323 589 HD11 LEU 13 1HD1 LEU 13 6.306 4.079 1.625 590 HD12 LEU 13 2HD1 LEU 13 4.580 4.432 1.687 591 HD13 LEU 13 3HD1 LEU 13 5.403 3.799 3.112 592 HD21 LEU 13 3HD2 LEU 13 7.283 6.871 3.887 593 HD22 LEU 13 1HD2 LEU 13 7.914 5.529 2.929 594 HD23 LEU 13 2HD2 LEU 13 6.967 5.206 4.379 595 H GLY 14 H GLY 14 4.136 9.333 0.063 596 HA2 GLY 14 2HA GLY 14 1.844 9.345 1.899 597 HA3 GLY 14 1HA GLY 14 2.027 10.394 0.503 598 H VAL 15 H VAL 15 0.224 7.967 1.587 599 HA VAL 15 HA VAL 15 0.112 6.560 -1.004 600 HB VAL 15 HB VAL 15 -0.891 5.468 1.628 601 HG11 VAL 15 1HG1 VAL 15 -1.823 4.398 -0.333 602 HG12 VAL 15 2HG1 VAL 15 -0.702 3.304 0.480 603 HG13 VAL 15 3HG1 VAL 15 -0.206 4.142 -0.988 604 HG21 VAL 15 3HG2 VAL 15 1.814 5.038 0.372 605 HG22 VAL 15 1HG2 VAL 15 1.173 4.142 1.749 606 HG23 VAL 15 2HG2 VAL 15 1.484 5.872 1.892 607 H TYR 16 H TYR 16 -1.912 6.110 -1.917 608 HA TYR 16 HA TYR 16 -4.251 7.285 -0.560 609 HB2 TYR 16 2HB TYR 16 -3.499 7.217 -3.450 610 HB3 TYR 16 1HB TYR 16 -5.206 7.069 -3.025 611 HD1 TYR 16 2HD TYR 16 -6.031 8.823 -1.273 612 HD2 TYR 16 1HD TYR 16 -2.669 9.362 -3.807 613 HE1 TYR 16 2HE TYR 16 -6.232 11.240 -0.994 614 HE2 TYR 16 1HE TYR 16 -2.859 11.800 -3.541 615 HH TYR 16 HH TYR 16 -4.760 13.443 -2.971 616 H ILE 17 H ILE 17 -5.629 5.831 0.187 617 HA ILE 17 HA ILE 17 -5.873 3.285 -1.263 618 HB ILE 17 HB ILE 17 -6.103 2.052 0.816 619 HG12 ILE 17 2HG1 ILE 17 -5.417 4.656 2.199 620 HG13 ILE 17 1HG1 ILE 17 -6.977 3.838 2.256 621 HG21 ILE 17 1HG2 ILE 17 -3.580 3.692 0.672 622 HG22 ILE 17 2HG2 ILE 17 -3.909 2.184 -0.181 623 HG23 ILE 17 3HG2 ILE 17 -3.762 2.189 1.577 624 HD11 ILE 17 3HD1 ILE 17 -5.926 1.930 3.365 625 HD12 ILE 17 1HD1 ILE 17 -5.707 3.425 4.280 626 HD13 ILE 17 2HD1 ILE 17 -4.376 2.768 3.324 627 HA PRO 18 HA PRO 18 -10.109 4.010 -1.701 628 HB2 PRO 18 2HB PRO 18 -10.511 1.180 -0.869 629 HB3 PRO 18 1HB PRO 18 -11.049 2.013 -2.332 630 HG2 PRO 18 2HG PRO 18 -9.001 0.328 -2.426 631 HG3 PRO 18 1HG PRO 18 -8.965 1.843 -3.349 632 HD2 PRO 18 2HD PRO 18 -7.591 1.142 -0.788 633 HD3 PRO 18 1HD PRO 18 -6.997 2.101 -2.161 634 H GLN 19 H GLN 19 -12.110 4.214 -0.666 635 HA GLN 19 HA GLN 19 -12.046 4.785 2.086 636 HB2 GLN 19 2HB GLN 19 -14.365 5.291 1.902 637 HB3 GLN 19 1HB GLN 19 -13.635 5.750 0.371 638 HG2 GLN 19 2HG GLN 19 -14.465 3.731 -0.669 639 HG3 GLN 19 1HG GLN 19 -15.129 3.185 0.869 640 HE21 GLN 19 1HE2 GLN 19 -17.224 3.098 0.250 641 HE22 GLN 19 2HE2 GLN 19 -18.157 4.502 -0.160 642 H GLU 20 H GLU 20 -12.986 1.941 0.297 643 HA GLU 20 HA GLU 20 -14.267 0.449 2.282 644 HB2 GLU 20 2HB GLU 20 -12.427 -0.625 0.135 645 HB3 GLU 20 1HB GLU 20 -13.737 -1.486 0.929 646 HG2 GLU 20 2HG GLU 20 -15.373 -0.077 -0.120 647 HG3 GLU 20 1HG GLU 20 -14.111 0.943 -0.808 648 H TRP 21 H TRP 21 -10.933 1.155 1.689 649 HA TRP 21 HA TRP 21 -9.858 -0.780 3.522 650 HB2 TRP 21 2HB TRP 21 -8.792 1.535 1.950 651 HB3 TRP 21 1HB TRP 21 -7.827 0.849 3.249 652 HD1 TRP 21 HD TRP 21 -9.855 -1.226 0.655 653 HE1 TRP 21 1HE TRP 21 -8.150 -2.669 -0.652 654 HE3 TRP 21 3HE TRP 21 -5.591 0.601 2.713 655 HZ2 TRP 21 2HZ TRP 21 -5.305 -2.944 -0.765 656 HZ3 TRP 21 3HZ TRP 21 -3.431 -0.266 1.968 657 HH2 TRP 21 HH TRP 21 -3.275 -1.983 0.280 658 H HIS 22 H HIS 22 -10.421 2.707 3.450 659 HA HIS 22 HA HIS 22 -9.401 3.369 5.951 660 HB2 HIS 22 2HB HIS 22 -10.247 4.912 4.080 661 HB3 HIS 22 1HB HIS 22 -11.853 4.667 4.764 662 HD1 HIS 22 1HD HIS 22 -12.501 6.186 6.643 663 HD2 HIS 22 2HD HIS 22 -8.398 6.157 5.964 664 HE1 HIS 22 1HE HIS 22 -11.554 7.981 8.131 665 HE2 HIS 22 2HE HIS 22 -9.087 8.051 7.585 666 H ASP 23 H ASP 23 -12.545 2.120 5.009 667 HA ASP 23 HA ASP 23 -13.848 2.264 7.482 668 HB2 ASP 23 2HB ASP 23 -15.054 1.790 5.440 669 HB3 ASP 23 1HB ASP 23 -14.157 0.295 5.209 670 H ARG 24 H ARG 24 -12.161 -0.559 6.041 671 HA ARG 24 HA ARG 24 -12.543 -2.130 8.393 672 HB2 ARG 24 2HB ARG 24 -11.013 -2.487 5.858 673 HB3 ARG 24 1HB ARG 24 -10.640 -3.534 7.216 674 HG2 ARG 24 2HG ARG 24 -12.173 -4.773 6.042 675 HG3 ARG 24 1HG ARG 24 -13.184 -3.987 7.251 676 HD2 ARG 24 2HD ARG 24 -14.027 -2.442 5.688 677 HD3 ARG 24 1HD ARG 24 -12.769 -2.832 4.512 678 HE ARG 24 HE ARG 24 -14.578 -4.988 5.255 679 HH11 ARG 24 1HH1 ARG 24 -13.848 -2.455 2.934 680 HH12 ARG 24 2HH1 ARG 24 -14.677 -3.245 1.629 681 HH21 ARG 24 1HH2 ARG 24 -15.661 -6.016 3.552 682 HH22 ARG 24 2HH2 ARG 24 -15.712 -5.258 1.984 683 H LEU 25 H LEU 25 -9.704 -0.483 7.035 684 HA LEU 25 HA LEU 25 -7.882 -1.531 8.916 685 HB2 LEU 25 2HB LEU 25 -7.696 0.958 7.219 686 HB3 LEU 25 1HB LEU 25 -6.363 0.266 8.124 687 HG LEU 25 HG LEU 25 -7.806 -1.025 5.807 688 HD11 LEU 25 1HD1 LEU 25 -5.010 0.062 6.088 689 HD12 LEU 25 2HD1 LEU 25 -6.319 0.778 5.148 690 HD13 LEU 25 3HD1 LEU 25 -5.647 -0.784 4.678 691 HD21 LEU 25 3HD2 LEU 25 -6.135 -2.801 6.006 692 HD22 LEU 25 1HD2 LEU 25 -7.137 -2.697 7.452 693 HD23 LEU 25 2HD2 LEU 25 -5.499 -2.042 7.466 694 H MET 26 H MET 26 -9.569 1.614 8.784 695 HA MET 26 HA MET 26 -8.269 2.600 11.097 696 HB2 MET 26 2HB MET 26 -10.793 3.490 9.723 697 HB3 MET 26 1HB MET 26 -10.089 4.334 11.095 698 HG2 MET 26 2HG MET 26 -8.761 3.864 8.436 699 HG3 MET 26 1HG MET 26 -9.486 5.376 8.977 700 HE1 MET 26 3HE MET 26 -8.495 6.892 10.917 701 HE2 MET 26 1HE MET 26 -7.123 6.414 11.918 702 HE3 MET 26 2HE MET 26 -8.636 5.513 12.009 703 H GLU 27 H GLU 27 -11.160 0.653 10.656 704 HA GLU 27 HA GLU 27 -12.086 0.942 13.311 705 HB2 GLU 27 2HB GLU 27 -13.335 -0.168 11.410 706 HB3 GLU 27 1HB GLU 27 -12.301 -1.572 11.653 707 HG2 GLU 27 2HG GLU 27 -14.411 -1.892 12.774 708 HG3 GLU 27 1HG GLU 27 -13.116 -1.752 13.963 709 H ILE 28 H ILE 28 -9.747 -1.224 11.812 710 HA ILE 28 HA ILE 28 -9.106 -2.686 14.174 711 HB ILE 28 HB ILE 28 -7.430 -2.214 11.696 712 HG12 ILE 28 2HG1 ILE 28 -9.241 -4.536 12.395 713 HG13 ILE 28 1HG1 ILE 28 -9.634 -3.261 11.247 714 HG21 ILE 28 1HG2 ILE 28 -6.210 -4.223 12.353 715 HG22 ILE 28 2HG2 ILE 28 -7.171 -4.333 13.826 716 HG23 ILE 28 3HG2 ILE 28 -6.083 -2.967 13.584 717 HD11 ILE 28 3HD1 ILE 28 -7.376 -5.234 10.992 718 HD12 ILE 28 1HD1 ILE 28 -7.760 -3.954 9.842 719 HD13 ILE 28 2HD1 ILE 28 -8.901 -5.272 10.108 720 H ALA 29 H ALA 29 -8.095 0.310 12.764 721 HA ALA 29 HA ALA 29 -5.688 0.755 14.109 722 HB1 ALA 29 1HB ALA 29 -7.693 2.782 13.130 723 HB2 ALA 29 2HB ALA 29 -6.402 2.054 12.171 724 HB3 ALA 29 3HB ALA 29 -6.006 3.103 13.533 725 H LYS 30 H LYS 30 -9.025 1.332 15.091 726 HA LYS 30 HA LYS 30 -8.260 2.684 17.523 727 HB2 LYS 30 2HB LYS 30 -10.908 1.334 17.009 728 HB3 LYS 30 1HB LYS 30 -10.572 2.675 18.095 729 HG2 LYS 30 2HG LYS 30 -10.141 4.114 16.149 730 HG3 LYS 30 1HG LYS 30 -10.545 2.762 15.086 731 HD2 LYS 30 2HD LYS 30 -12.760 2.679 16.404 732 HD3 LYS 30 1HD LYS 30 -12.328 4.304 16.938 733 HE2 LYS 30 2HE LYS 30 -13.771 4.415 14.991 734 HE3 LYS 30 1HE LYS 30 -12.159 5.011 14.592 735 HZ1 LYS 30 3HZ LYS 30 -13.155 2.271 14.008 736 HZ2 LYS 30 1HZ LYS 30 -11.647 2.909 13.567 737 HZ3 LYS 30 2HZ LYS 30 -13.061 3.533 12.876 738 H GLU 31 H GLU 31 -9.321 -0.517 16.587 739 HA GLU 31 HA GLU 31 -9.622 -1.685 19.099 740 HB2 GLU 31 2HB GLU 31 -10.485 -2.713 17.093 741 HB3 GLU 31 1HB GLU 31 -8.865 -2.894 16.438 742 HG2 GLU 31 2HG GLU 31 -8.367 -4.407 18.384 743 HG3 GLU 31 1HG GLU 31 -10.091 -4.358 18.753 744 H LYS 32 H LYS 32 -6.797 -1.759 16.931 745 HA LYS 32 HA LYS 32 -5.288 -3.131 19.019 746 HB2 LYS 32 2HB LYS 32 -4.797 -2.746 16.079 747 HB3 LYS 32 1HB LYS 32 -3.557 -3.373 17.157 748 HG2 LYS 32 2HG LYS 32 -5.057 -5.209 17.795 749 HG3 LYS 32 1HG LYS 32 -6.267 -4.592 16.669 750 HD2 LYS 32 2HD LYS 32 -4.861 -5.031 14.795 751 HD3 LYS 32 1HD LYS 32 -3.485 -5.391 15.840 752 HE2 LYS 32 2HE LYS 32 -4.441 -7.446 14.979 753 HE3 LYS 32 1HE LYS 32 -4.683 -7.344 16.720 754 HZ1 LYS 32 3HZ LYS 32 -6.967 -6.527 16.247 755 HZ2 LYS 32 1HZ LYS 32 -6.686 -8.113 15.722 756 HZ3 LYS 32 2HZ LYS 32 -6.708 -6.841 14.605 757 H ASN 33 H ASN 33 -5.831 -0.033 18.178 758 HA ASN 33 HA ASN 33 -4.894 1.951 18.750 759 HB2 ASN 33 2HB ASN 33 -4.472 0.650 20.905 760 HB3 ASN 33 1HB ASN 33 -2.828 0.411 20.327 761 HD21 ASN 33 1HD2 ASN 33 -3.778 1.789 22.682 762 HD22 ASN 33 2HD2 ASN 33 -3.158 3.402 22.580 763 H LEU 34 H LEU 34 -4.315 1.328 16.352 764 HA LEU 34 HA LEU 34 -1.492 2.058 15.974 765 HB2 LEU 34 2HB LEU 34 -3.059 0.066 14.317 766 HB3 LEU 34 1HB LEU 34 -1.438 0.631 13.957 767 HG LEU 34 HG LEU 34 -2.188 -0.935 16.424 768 HD11 LEU 34 1HD1 LEU 34 -2.477 -2.278 14.408 769 HD12 LEU 34 2HD1 LEU 34 -1.069 -2.817 15.326 770 HD13 LEU 34 3HD1 LEU 34 -0.855 -1.840 13.873 771 HD21 LEU 34 3HD2 LEU 34 -0.234 0.494 16.723 772 HD22 LEU 34 1HD2 LEU 34 0.491 -0.173 15.258 773 HD23 LEU 34 2HD2 LEU 34 0.238 -1.205 16.666 774 H THR 35 H THR 35 -1.175 3.113 13.789 775 HA THR 35 HA THR 35 -3.649 4.444 12.922 776 HB THR 35 HB THR 35 -2.271 6.109 11.830 777 HG1 THR 35 1HG THR 35 0.056 4.777 12.816 778 HG21 THR 35 3HG2 THR 35 -1.146 7.111 13.750 779 HG22 THR 35 1HG2 THR 35 -1.196 5.567 14.601 780 HG23 THR 35 2HG2 THR 35 -2.695 6.421 14.236 781 H LEU 36 H LEU 36 -3.975 4.665 10.552 782 HA LEU 36 HA LEU 36 -3.683 2.233 9.202 783 HB2 LEU 36 2HB LEU 36 -4.570 3.302 7.275 784 HB3 LEU 36 1HB LEU 36 -5.375 3.984 8.668 785 HG LEU 36 HG LEU 36 -3.139 5.343 7.153 786 HD11 LEU 36 1HD1 LEU 36 -4.889 6.766 6.228 787 HD12 LEU 36 2HD1 LEU 36 -6.119 5.817 7.067 788 HD13 LEU 36 3HD1 LEU 36 -5.156 5.079 5.785 789 HD21 LEU 36 3HD2 LEU 36 -3.832 7.337 8.383 790 HD22 LEU 36 1HD2 LEU 36 -3.315 6.065 9.489 791 HD23 LEU 36 2HD2 LEU 36 -5.034 6.391 9.261 792 H SER 37 H SER 37 -1.666 5.088 9.278 793 HA SER 37 HA SER 37 0.201 4.437 7.314 794 HB2 SER 37 2HB SER 37 0.718 5.813 9.967 795 HB3 SER 37 1HB SER 37 1.715 5.929 8.515 796 HG SER 37 HG SER 37 0.489 7.555 8.023 797 H ASP 38 H ASP 38 0.092 3.544 10.760 798 HA ASP 38 HA ASP 38 2.512 2.092 10.794 799 HB2 ASP 38 2HB ASP 38 0.054 1.917 12.537 800 HB3 ASP 38 1HB ASP 38 1.481 0.927 12.814 801 H VAL 39 H VAL 39 -0.823 1.147 10.145 802 HA VAL 39 HA VAL 39 -0.407 -1.628 10.033 803 HB VAL 39 HB VAL 39 -2.451 0.010 8.514 804 HG11 VAL 39 1HG1 VAL 39 -2.459 -2.926 9.214 805 HG12 VAL 39 2HG1 VAL 39 -2.198 -2.255 7.606 806 HG13 VAL 39 3HG1 VAL 39 -3.757 -2.048 8.404 807 HG21 VAL 39 3HG2 VAL 39 -2.607 -1.334 11.210 808 HG22 VAL 39 1HG2 VAL 39 -3.957 -0.575 10.368 809 HG23 VAL 39 2HG2 VAL 39 -2.590 0.403 10.901 810 H CYS 40 H CYS 40 0.007 0.897 7.608 811 HA CYS 40 HA CYS 40 0.288 -0.815 5.381 812 HB2 CYS 40 2HB CYS 40 -0.012 1.830 5.600 813 HB3 CYS 40 1HB CYS 40 1.741 1.808 5.422 814 HG CYS 40 HG CYS 40 0.540 -0.129 3.116 815 H ARG 41 H ARG 41 2.856 1.007 7.063 816 HA ARG 41 HA ARG 41 4.985 -0.404 6.047 817 HB2 ARG 41 2HB ARG 41 6.295 0.481 7.940 818 HB3 ARG 41 1HB ARG 41 5.336 1.692 7.111 819 HG2 ARG 41 2HG ARG 41 4.936 2.296 9.252 820 HG3 ARG 41 1HG ARG 41 3.622 1.139 9.039 821 HD2 ARG 41 2HD ARG 41 4.847 -0.572 10.164 822 HD3 ARG 41 1HD ARG 41 6.313 0.415 10.181 823 HE ARG 41 HE ARG 41 4.101 1.656 11.519 824 HH11 ARG 41 1HH1 ARG 41 6.724 -0.630 11.921 825 HH12 ARG 41 2HH1 ARG 41 6.867 -0.354 13.628 826 HH21 ARG 41 1HH2 ARG 41 4.247 1.991 13.750 827 HH22 ARG 41 2HH2 ARG 41 5.435 1.112 14.683 828 H LEU 42 H LEU 42 2.992 -1.305 8.843 829 HA LEU 42 HA LEU 42 4.749 -3.364 9.739 830 HB2 LEU 42 2HB LEU 42 1.780 -2.972 10.102 831 HB3 LEU 42 1HB LEU 42 2.664 -4.300 10.828 832 HG LEU 42 HG LEU 42 3.172 -1.373 11.366 833 HD11 LEU 42 1HD1 LEU 42 1.048 -2.115 12.302 834 HD12 LEU 42 2HD1 LEU 42 2.232 -1.853 13.581 835 HD13 LEU 42 3HD1 LEU 42 1.848 -3.492 13.060 836 HD21 LEU 42 3HD2 LEU 42 4.624 -2.200 13.160 837 HD22 LEU 42 1HD2 LEU 42 5.191 -2.716 11.571 838 HD23 LEU 42 2HD2 LEU 42 4.342 -3.856 12.618 839 H ALA 43 H ALA 43 2.410 -3.088 7.241 840 HA ALA 43 HA ALA 43 2.017 -5.866 6.818 841 HB1 ALA 43 1HB ALA 43 0.366 -4.199 6.169 842 HB2 ALA 43 2HB ALA 43 0.864 -5.189 4.796 843 HB3 ALA 43 3HB ALA 43 1.490 -3.548 4.975 844 H ILE 44 H ILE 44 4.223 -3.443 5.394 845 HA ILE 44 HA ILE 44 5.212 -5.242 3.413 846 HB ILE 44 HB ILE 44 7.254 -3.688 3.391 847 HG12 ILE 44 2HG1 ILE 44 5.365 -2.114 5.132 848 HG13 ILE 44 1HG1 ILE 44 7.002 -2.627 5.537 849 HG21 ILE 44 1HG2 ILE 44 4.503 -2.705 2.687 850 HG22 ILE 44 2HG2 ILE 44 5.583 -3.666 1.675 851 HG23 ILE 44 3HG2 ILE 44 6.006 -2.003 2.088 852 HD11 ILE 44 3HD1 ILE 44 6.267 -0.644 3.391 853 HD12 ILE 44 1HD1 ILE 44 7.899 -1.149 3.826 854 HD13 ILE 44 2HD1 ILE 44 6.917 -0.256 4.985 855 H LYS 45 H LYS 45 6.043 -4.587 6.739 856 HA LYS 45 HA LYS 45 8.380 -6.070 6.949 857 HB2 LYS 45 2HB LYS 45 7.644 -4.895 8.872 858 HB3 LYS 45 1HB LYS 45 6.066 -5.664 8.838 859 HG2 LYS 45 2HG LYS 45 7.129 -7.803 9.441 860 HG3 LYS 45 1HG LYS 45 8.681 -6.973 9.555 861 HD2 LYS 45 2HD LYS 45 7.976 -5.690 11.402 862 HD3 LYS 45 1HD LYS 45 6.279 -6.094 11.137 863 HE2 LYS 45 2HE LYS 45 8.438 -8.027 11.994 864 HE3 LYS 45 1HE LYS 45 7.230 -7.301 13.055 865 HZ1 LYS 45 3HZ LYS 45 6.427 -9.426 12.505 866 HZ2 LYS 45 1HZ LYS 45 6.789 -9.246 10.858 867 HZ3 LYS 45 2HZ LYS 45 5.525 -8.354 11.548 868 H GLU 46 H GLU 46 5.007 -7.143 7.129 869 HA GLU 46 HA GLU 46 5.607 -9.918 7.364 870 HB2 GLU 46 2HB GLU 46 3.442 -8.753 8.008 871 HB3 GLU 46 1HB GLU 46 3.065 -8.684 6.293 872 HG2 GLU 46 2HG GLU 46 1.918 -10.545 7.157 873 HG3 GLU 46 1HG GLU 46 3.291 -11.187 6.254 874 H TYR 47 H TYR 47 5.144 -7.687 4.765 875 HA TYR 47 HA TYR 47 4.666 -9.469 2.656 876 HB2 TYR 47 2HB TYR 47 4.255 -7.002 2.633 877 HB3 TYR 47 1HB TYR 47 5.991 -6.754 2.529 878 HD1 TYR 47 2HD TYR 47 3.030 -8.026 0.752 879 HD2 TYR 47 1HD TYR 47 7.140 -6.977 0.443 880 HE1 TYR 47 2HE TYR 47 2.861 -8.119 -1.698 881 HE2 TYR 47 1HE TYR 47 6.985 -7.063 -2.010 882 HH TYR 47 HH TYR 47 3.953 -7.285 -3.651 883 H LEU 48 H LEU 48 7.639 -8.053 3.941 884 HA LEU 48 HA LEU 48 9.394 -9.185 2.040 885 HB2 LEU 48 2HB LEU 48 9.966 -8.421 4.904 886 HB3 LEU 48 1HB LEU 48 11.167 -8.700 3.660 887 HG LEU 48 HG LEU 48 9.150 -6.455 3.710 888 HD11 LEU 48 1HD1 LEU 48 12.141 -6.459 4.075 889 HD12 LEU 48 2HD1 LEU 48 10.937 -6.176 5.333 890 HD13 LEU 48 3HD1 LEU 48 11.110 -5.029 4.004 891 HD21 LEU 48 3HD2 LEU 48 11.342 -7.056 1.725 892 HD22 LEU 48 1HD2 LEU 48 10.334 -5.609 1.747 893 HD23 LEU 48 2HD2 LEU 48 9.607 -7.183 1.426 894 H ASP 49 H ASP 49 8.336 -10.226 5.231 895 HA ASP 49 HA ASP 49 9.969 -12.452 5.562 896 HB2 ASP 49 2HB ASP 49 8.631 -11.491 7.357 897 HB3 ASP 49 1HB ASP 49 7.149 -11.979 6.545 898 H ASN 50 H ASN 50 6.733 -12.261 4.117 899 HA ASN 50 HA ASN 50 6.678 -15.094 3.623 900 HB2 ASN 50 2HB ASN 50 4.773 -12.856 2.988 901 HB3 ASN 50 1HB ASN 50 4.490 -14.515 2.462 902 HD21 ASN 50 1HD2 ASN 50 4.827 -12.400 5.223 903 HD22 ASN 50 2HD2 ASN 50 4.093 -13.464 6.369 904 H HIS 51 H HIS 51 7.760 -12.360 1.840 905 HA HIS 51 HA HIS 51 7.465 -13.775 -0.692 906 HB2 HIS 51 2HB HIS 51 8.165 -10.964 0.029 907 HB3 HIS 51 1HB HIS 51 8.664 -11.595 -1.539 908 HD1 HIS 51 1HD HIS 51 7.038 -11.056 -3.308 909 HD2 HIS 51 2HD HIS 51 5.177 -11.614 0.374 910 HE1 HIS 51 1HE HIS 51 4.578 -10.715 -3.725 911 HE2 HIS 51 2HE HIS 51 3.453 -11.165 -1.510 912 H ASP 52 H ASP 52 9.998 -12.770 1.539 913 HA ASP 52 HA ASP 52 11.759 -14.622 0.075 914 HB2 ASP 52 2HB ASP 52 12.487 -12.152 0.031 915 HB3 ASP 52 1HB ASP 52 12.819 -12.347 1.750 916 H LYS 53 H LYS 53 12.116 -16.388 1.217 917 HA LYS 53 HA LYS 53 11.353 -16.291 4.060 918 HB2 LYS 53 2HB LYS 53 11.105 -18.607 2.130 919 HB3 LYS 53 1HB LYS 53 10.489 -18.543 3.777 920 HG2 LYS 53 2HG LYS 53 8.876 -16.887 3.194 921 HG3 LYS 53 1HG LYS 53 9.589 -16.679 1.594 922 HD2 LYS 53 2HD LYS 53 8.257 -19.185 2.617 923 HD3 LYS 53 1HD LYS 53 7.535 -18.016 1.513 924 HE2 LYS 53 2HE LYS 53 9.335 -18.478 -0.109 925 HE3 LYS 53 1HE LYS 53 9.986 -19.695 0.986 926 HZ1 LYS 53 3HZ LYS 53 7.838 -20.874 0.811 927 HZ2 LYS 53 1HZ LYS 53 8.654 -20.762 -0.673 928 HZ3 LYS 53 2HZ LYS 53 7.334 -19.748 -0.352 929 H GLN 54 H GLN 54 14.109 -16.413 2.367 930 HA GLN 54 HA GLN 54 15.430 -18.066 4.334 931 HB2 GLN 54 2HB GLN 54 16.532 -19.487 2.532 932 HB3 GLN 54 1HB GLN 54 14.864 -19.859 2.938 933 HG2 GLN 54 2HG GLN 54 14.150 -18.536 0.964 934 HG3 GLN 54 1HG GLN 54 15.850 -18.346 0.533 935 HE21 GLN 54 1HE2 GLN 54 13.202 -20.584 0.843 936 HE22 GLN 54 2HE2 GLN 54 13.904 -21.863 -0.087 937 H LYS 55 H LYS 55 15.868 -16.338 1.246 938 HA LYS 55 HA LYS 55 18.687 -16.031 1.822 939 HB2 LYS 55 2HB LYS 55 18.501 -14.638 -0.409 940 HB3 LYS 55 1HB LYS 55 18.500 -16.396 -0.426 941 HG2 LYS 55 2HG LYS 55 16.093 -16.429 -0.641 942 HG3 LYS 55 1HG LYS 55 16.033 -14.670 -0.504 943 HD2 LYS 55 2HD LYS 55 17.536 -16.118 -2.677 944 HD3 LYS 55 1HD LYS 55 15.868 -15.568 -2.846 945 HE2 LYS 55 2HE LYS 55 18.180 -13.768 -2.145 946 HE3 LYS 55 1HE LYS 55 17.584 -14.011 -3.785 947 HZ1 LYS 55 3HZ LYS 55 15.483 -13.092 -3.181 948 HZ2 LYS 55 1HZ LYS 55 16.689 -12.012 -2.686 949 HZ3 LYS 55 2HZ LYS 55 15.912 -12.998 -1.540 950 H LYS 56 H LYS 56 19.684 -13.835 1.425 951 HA LYS 56 HA LYS 56 20.132 -11.837 2.395 952 HB2 LYS 56 2HB LYS 56 17.263 -11.447 1.567 953 HB3 LYS 56 1HB LYS 56 18.182 -10.162 2.339 954 HG2 LYS 56 2HG LYS 56 19.857 -10.325 0.524 955 HG3 LYS 56 1HG LYS 56 18.826 -11.520 -0.268 956 HD2 LYS 56 2HD LYS 56 17.070 -9.919 -0.552 957 HD3 LYS 56 1HD LYS 56 17.913 -8.736 0.450 958 HE2 LYS 56 2HE LYS 56 19.708 -8.614 -1.212 959 HE3 LYS 56 1HE LYS 56 18.865 -9.801 -2.208 960 HZ1 LYS 56 3HZ LYS 56 17.089 -8.275 -2.566 961 HZ2 LYS 56 1HZ LYS 56 18.537 -7.464 -2.904 962 HZ3 LYS 56 2HZ LYS 56 17.722 -7.162 -1.453 Start of MODEL 13 1 H1 GLY 2 1HT GLY 2 -17.621 18.863 -8.875 2 H2 GLY 2 2HT GLY 2 -16.430 18.900 -7.667 3 H3 GLY 2 3HT GLY 2 -17.883 18.073 -7.397 4 HA2 GLY 2 1HA GLY 2 -17.344 16.477 -9.110 5 HA3 GLY 2 2HA GLY 2 -15.851 17.346 -9.428 6 H ARG 3 H ARG 3 -17.594 15.412 -7.054 7 HA ARG 3 HA ARG 3 -15.073 14.968 -5.628 8 HB2 ARG 3 2HB ARG 3 -17.948 14.453 -4.880 9 HB3 ARG 3 1HB ARG 3 -16.600 13.815 -3.943 10 HG2 ARG 3 2HG ARG 3 -15.787 16.068 -3.533 11 HG3 ARG 3 1HG ARG 3 -17.081 16.732 -4.527 12 HD2 ARG 3 2HD ARG 3 -17.586 15.075 -2.067 13 HD3 ARG 3 1HD ARG 3 -17.428 16.825 -2.027 14 HE ARG 3 HE ARG 3 -19.509 15.397 -3.560 15 HH11 ARG 3 1HH1 ARG 3 -18.515 18.178 -1.616 16 HH12 ARG 3 2HH1 ARG 3 -20.110 18.864 -1.598 17 HH21 ARG 3 1HH2 ARG 3 -21.579 16.326 -3.521 18 HH22 ARG 3 2HH2 ARG 3 -21.834 17.819 -2.666 19 HA PRO 4 HA PRO 4 -13.963 11.771 -8.203 20 HB2 PRO 4 2HB PRO 4 -12.977 10.089 -6.114 21 HB3 PRO 4 1HB PRO 4 -12.074 11.155 -7.189 22 HG2 PRO 4 2HG PRO 4 -13.028 11.628 -4.430 23 HG3 PRO 4 1HG PRO 4 -11.652 12.342 -5.288 24 HD2 PRO 4 2HD PRO 4 -13.868 13.756 -4.786 25 HD3 PRO 4 1HD PRO 4 -12.963 13.960 -6.304 26 H TYR 5 H TYR 5 -15.869 10.953 -8.967 27 HA TYR 5 HA TYR 5 -17.097 9.187 -9.647 28 HB2 TYR 5 2HB TYR 5 -15.267 7.733 -7.757 29 HB3 TYR 5 1HB TYR 5 -16.528 6.902 -8.660 30 HD1 TYR 5 1HD TYR 5 -16.431 6.818 -11.125 31 HD2 TYR 5 2HD TYR 5 -13.242 8.438 -8.824 32 HE1 TYR 5 1HE TYR 5 -14.941 6.626 -13.066 33 HE2 TYR 5 2HE TYR 5 -11.739 8.251 -10.764 34 HH TYR 5 HH TYR 5 -12.909 7.606 -13.923 35 H LYS 6 H LYS 6 -16.699 8.414 -6.199 36 HA LYS 6 HA LYS 6 -19.633 8.334 -5.967 37 HB2 LYS 6 2HB LYS 6 -19.423 6.199 -4.741 38 HB3 LYS 6 1HB LYS 6 -18.857 6.057 -6.403 39 HG2 LYS 6 2HG LYS 6 -16.582 6.123 -5.720 40 HG3 LYS 6 1HG LYS 6 -17.032 6.563 -4.071 41 HD2 LYS 6 2HD LYS 6 -18.179 4.361 -3.872 42 HD3 LYS 6 1HD LYS 6 -17.561 3.937 -5.469 43 HE2 LYS 6 2HE LYS 6 -16.117 2.963 -3.834 44 HE3 LYS 6 1HE LYS 6 -15.253 4.302 -4.589 45 HZ1 LYS 6 3HZ LYS 6 -15.696 5.669 -2.689 46 HZ2 LYS 6 1HZ LYS 6 -15.017 4.211 -2.146 47 HZ3 LYS 6 2HZ LYS 6 -16.684 4.482 -1.994 48 H LEU 7 H LEU 7 -17.862 10.320 -5.101 49 HA LEU 7 HA LEU 7 -17.411 11.643 -3.315 50 HB2 LEU 7 2HB LEU 7 -19.163 9.675 -1.836 51 HB3 LEU 7 1HB LEU 7 -18.472 11.103 -1.097 52 HG LEU 7 HG LEU 7 -20.686 11.684 -1.581 53 HD11 LEU 7 1HD1 LEU 7 -19.125 13.406 -2.246 54 HD12 LEU 7 2HD1 LEU 7 -20.537 13.405 -3.303 55 HD13 LEU 7 3HD1 LEU 7 -19.017 12.709 -3.862 56 HD21 LEU 7 3HD2 LEU 7 -21.769 11.355 -3.746 57 HD22 LEU 7 1HD2 LEU 7 -21.262 9.823 -3.035 58 HD23 LEU 7 2HD2 LEU 7 -20.324 10.539 -4.345 59 H LEU 8 H LEU 8 -15.252 11.225 -3.378 60 HA LEU 8 HA LEU 8 -13.216 10.610 -2.620 61 HB2 LEU 8 2HB LEU 8 -14.835 9.649 -0.267 62 HB3 LEU 8 1HB LEU 8 -13.091 9.503 -0.330 63 HG LEU 8 HG LEU 8 -13.542 11.422 0.962 64 HD11 LEU 8 1HD1 LEU 8 -12.887 12.348 -1.824 65 HD12 LEU 8 2HD1 LEU 8 -11.743 11.722 -0.637 66 HD13 LEU 8 3HD1 LEU 8 -12.582 13.245 -0.336 67 HD21 LEU 8 3HD2 LEU 8 -14.972 13.264 0.228 68 HD22 LEU 8 1HD2 LEU 8 -15.873 11.755 0.361 69 HD23 LEU 8 2HD2 LEU 8 -15.392 12.359 -1.225 70 H ASN 9 H ASN 9 -12.689 9.183 -4.224 71 HA ASN 9 HA ASN 9 -13.397 6.381 -3.928 72 HB2 ASN 9 2HB ASN 9 -12.255 6.031 -6.041 73 HB3 ASN 9 1HB ASN 9 -13.325 7.419 -6.187 74 HD21 ASN 9 1HD2 ASN 9 -10.973 6.684 -7.742 75 HD22 ASN 9 2HD2 ASN 9 -9.886 8.026 -7.632 76 H GLY 10 H GLY 10 -10.910 8.518 -3.014 77 HA2 GLY 10 2HA GLY 10 -9.493 6.405 -1.669 78 HA3 GLY 10 1HA GLY 10 -8.589 7.131 -2.992 79 H ILE 11 H ILE 11 -8.194 7.149 -0.035 80 HA ILE 11 HA ILE 11 -8.251 10.071 0.409 81 HB ILE 11 HB ILE 11 -8.259 8.005 2.607 82 HG12 ILE 11 2HG1 ILE 11 -10.296 7.712 1.246 83 HG13 ILE 11 1HG1 ILE 11 -10.655 8.322 2.858 84 HG21 ILE 11 1HG2 ILE 11 -8.902 10.944 2.554 85 HG22 ILE 11 2HG2 ILE 11 -7.515 10.166 3.319 86 HG23 ILE 11 3HG2 ILE 11 -9.139 9.893 3.950 87 HD11 ILE 11 3HD1 ILE 11 -12.001 9.440 1.180 88 HD12 ILE 11 1HD1 ILE 11 -10.540 9.967 0.341 89 HD13 ILE 11 2HD1 ILE 11 -10.896 10.574 1.958 90 H LYS 12 H LYS 12 -6.453 10.839 1.810 91 HA LYS 12 HA LYS 12 -4.003 9.525 0.901 92 HB2 LYS 12 2HB LYS 12 -4.274 11.792 0.158 93 HB3 LYS 12 1HB LYS 12 -4.609 12.346 1.792 94 HG2 LYS 12 2HG LYS 12 -2.409 13.009 1.297 95 HG3 LYS 12 1HG LYS 12 -2.271 11.630 2.387 96 HD2 LYS 12 2HD LYS 12 -1.833 10.163 0.492 97 HD3 LYS 12 1HD LYS 12 -2.013 11.525 -0.617 98 HE2 LYS 12 2HE LYS 12 0.111 11.115 1.475 99 HE3 LYS 12 1HE LYS 12 0.319 11.163 -0.274 100 HZ1 LYS 12 3HZ LYS 12 -0.310 13.401 1.554 101 HZ2 LYS 12 1HZ LYS 12 -0.539 13.520 -0.125 102 HZ3 LYS 12 2HZ LYS 12 1.011 13.240 0.502 103 H LEU 13 H LEU 13 -2.574 8.694 2.242 104 HA LEU 13 HA LEU 13 -2.747 9.336 5.101 105 HB2 LEU 13 2HB LEU 13 -1.994 6.946 5.492 106 HB3 LEU 13 1HB LEU 13 -3.655 7.181 4.991 107 HG LEU 13 HG LEU 13 -1.587 6.536 2.924 108 HD11 LEU 13 1HD1 LEU 13 -1.977 4.159 3.268 109 HD12 LEU 13 2HD1 LEU 13 -2.987 4.511 4.670 110 HD13 LEU 13 3HD1 LEU 13 -1.263 4.882 4.710 111 HD21 LEU 13 3HD2 LEU 13 -3.525 5.451 1.857 112 HD22 LEU 13 1HD2 LEU 13 -3.825 7.162 2.184 113 HD23 LEU 13 2HD2 LEU 13 -4.530 5.924 3.228 114 H GLY 14 H GLY 14 -0.863 9.700 6.136 115 HA2 GLY 14 2HA GLY 14 1.539 9.757 4.426 116 HA3 GLY 14 1HA GLY 14 1.257 10.784 5.825 117 H VAL 15 H VAL 15 2.999 8.226 4.752 118 HA VAL 15 HA VAL 15 3.100 6.938 7.403 119 HB VAL 15 HB VAL 15 4.133 5.822 4.782 120 HG11 VAL 15 1HG1 VAL 15 4.209 3.699 5.981 121 HG12 VAL 15 2HG1 VAL 15 3.667 4.506 7.452 122 HG13 VAL 15 3HG1 VAL 15 5.237 4.906 6.751 123 HG21 VAL 15 3HG2 VAL 15 1.533 5.282 6.204 124 HG22 VAL 15 1HG2 VAL 15 2.157 4.346 4.845 125 HG23 VAL 15 2HG2 VAL 15 1.739 6.045 4.626 126 H TYR 16 H TYR 16 5.048 6.734 8.477 127 HA TYR 16 HA TYR 16 7.398 8.002 7.230 128 HB2 TYR 16 2HB TYR 16 6.311 8.184 9.995 129 HB3 TYR 16 1HB TYR 16 8.065 8.118 9.817 130 HD1 TYR 16 2HD TYR 16 8.722 9.658 7.589 131 HD2 TYR 16 1HD TYR 16 5.603 10.363 10.382 132 HE1 TYR 16 2HE TYR 16 8.825 12.042 7.075 133 HE2 TYR 16 1HE TYR 16 5.691 12.770 9.876 134 HH TYR 16 HH TYR 16 7.614 14.384 8.946 135 H ILE 17 H ILE 17 8.998 6.638 6.799 136 HA ILE 17 HA ILE 17 9.484 4.417 8.642 137 HB ILE 17 HB ILE 17 9.814 2.812 6.842 138 HG12 ILE 17 2HG1 ILE 17 8.767 4.982 5.012 139 HG13 ILE 17 1HG1 ILE 17 10.411 4.350 5.029 140 HG21 ILE 17 1HG2 ILE 17 7.476 2.463 6.230 141 HG22 ILE 17 2HG2 ILE 17 7.094 4.108 6.739 142 HG23 ILE 17 3HG2 ILE 17 7.642 2.922 7.924 143 HD11 ILE 17 3HD1 ILE 17 9.573 2.157 4.363 144 HD12 ILE 17 1HD1 ILE 17 9.132 3.407 3.197 145 HD13 ILE 17 2HD1 ILE 17 7.930 2.796 4.337 146 HA PRO 18 HA PRO 18 13.665 5.585 8.445 147 HB2 PRO 18 2HB PRO 18 14.961 3.184 8.551 148 HB3 PRO 18 1HB PRO 18 14.158 3.927 9.938 149 HG2 PRO 18 2HG PRO 18 13.161 1.787 8.098 150 HG3 PRO 18 1HG PRO 18 13.046 1.885 9.865 151 HD2 PRO 18 2HD PRO 18 10.970 2.508 8.282 152 HD3 PRO 18 1HD PRO 18 11.286 3.387 9.793 153 H GLN 19 H GLN 19 15.758 5.304 7.327 154 HA GLN 19 HA GLN 19 15.311 5.415 4.516 155 HB2 GLN 19 2HB GLN 19 17.580 6.106 4.312 156 HB3 GLN 19 1HB GLN 19 16.932 6.870 5.756 157 HG2 GLN 19 2HG GLN 19 18.128 5.438 7.177 158 HG3 GLN 19 1HG GLN 19 18.505 4.319 5.869 159 HE21 GLN 19 1HE2 GLN 19 19.125 6.521 4.019 160 HE22 GLN 19 2HE2 GLN 19 20.681 7.104 4.501 161 H GLU 20 H GLU 20 16.632 3.006 6.699 162 HA GLU 20 HA GLU 20 17.868 1.283 4.876 163 HB2 GLU 20 2HB GLU 20 16.121 0.322 7.150 164 HB3 GLU 20 1HB GLU 20 17.509 -0.492 6.447 165 HG2 GLU 20 2HG GLU 20 18.346 0.293 8.435 166 HG3 GLU 20 1HG GLU 20 18.836 1.553 7.303 167 H TRP 21 H TRP 21 14.526 1.745 5.730 168 HA TRP 21 HA TRP 21 13.474 -0.396 4.168 169 HB2 TRP 21 2HB TRP 21 12.401 1.954 5.655 170 HB3 TRP 21 1HB TRP 21 11.366 1.205 4.449 171 HD1 TRP 21 HD TRP 21 13.612 -0.841 6.871 172 HE1 TRP 21 1HE TRP 21 12.030 -2.233 8.376 173 HE3 TRP 21 3HE TRP 21 9.181 1.052 5.294 174 HZ2 TRP 21 2HZ TRP 21 9.214 -2.461 8.813 175 HZ3 TRP 21 3HZ TRP 21 7.104 0.232 6.275 176 HH2 TRP 21 HH TRP 21 7.097 -1.467 7.981 177 H HIS 22 H HIS 22 13.808 3.103 3.798 178 HA HIS 22 HA HIS 22 12.510 3.361 1.342 179 HB2 HIS 22 2HB HIS 22 14.367 5.004 2.929 180 HB3 HIS 22 1HB HIS 22 14.397 5.322 1.195 181 HD1 HIS 22 1HD HIS 22 12.819 7.072 0.505 182 HD2 HIS 22 2HD HIS 22 11.475 5.032 3.876 183 HE1 HIS 22 1HE HIS 22 10.625 8.141 1.120 184 HE2 HIS 22 2HE HIS 22 9.909 6.992 3.245 185 H ASP 23 H ASP 23 15.905 2.623 2.056 186 HA ASP 23 HA ASP 23 16.869 2.756 -0.573 187 HB2 ASP 23 2HB ASP 23 18.331 2.606 1.410 188 HB3 ASP 23 1HB ASP 23 17.809 0.943 1.663 189 H ARG 24 H ARG 24 15.615 -0.037 1.259 190 HA ARG 24 HA ARG 24 15.960 -1.850 -0.931 191 HB2 ARG 24 2HB ARG 24 14.104 -2.186 1.432 192 HB3 ARG 24 1HB ARG 24 14.762 -3.456 0.412 193 HG2 ARG 24 2HG ARG 24 16.334 -1.709 2.291 194 HG3 ARG 24 1HG ARG 24 15.862 -3.384 2.577 195 HD2 ARG 24 2HD ARG 24 17.164 -4.019 0.549 196 HD3 ARG 24 1HD ARG 24 17.737 -2.358 0.457 197 HE ARG 24 HE ARG 24 18.295 -4.246 2.665 198 HH11 ARG 24 1HH1 ARG 24 19.268 -1.397 0.784 199 HH12 ARG 24 2HH1 ARG 24 20.756 -1.227 1.648 200 HH21 ARG 24 1HH2 ARG 24 20.232 -3.926 3.793 201 HH22 ARG 24 2HH2 ARG 24 21.300 -2.630 3.341 202 H LEU 25 H LEU 25 13.282 0.034 0.329 203 HA LEU 25 HA LEU 25 11.231 -1.050 -1.253 204 HB2 LEU 25 2HB LEU 25 11.621 1.238 0.498 205 HB3 LEU 25 1HB LEU 25 10.568 1.621 -0.850 206 HG LEU 25 HG LEU 25 9.305 0.905 1.129 207 HD11 LEU 25 1HD1 LEU 25 9.198 -1.086 -1.131 208 HD12 LEU 25 2HD1 LEU 25 8.381 0.475 -1.083 209 HD13 LEU 25 3HD1 LEU 25 7.924 -0.795 0.051 210 HD21 LEU 25 3HD2 LEU 25 10.763 -1.715 0.792 211 HD22 LEU 25 1HD2 LEU 25 9.431 -1.415 1.907 212 HD23 LEU 25 2HD2 LEU 25 10.967 -0.575 2.122 213 H MET 26 H MET 26 13.304 1.783 -1.745 214 HA MET 26 HA MET 26 12.042 2.661 -4.082 215 HB2 MET 26 2HB MET 26 14.796 3.132 -2.981 216 HB3 MET 26 1HB MET 26 14.215 3.909 -4.449 217 HG2 MET 26 2HG MET 26 12.768 4.078 -1.825 218 HG3 MET 26 1HG MET 26 13.999 5.240 -2.325 219 HE1 MET 26 3HE MET 26 10.694 7.277 -2.777 220 HE2 MET 26 1HE MET 26 12.321 7.278 -2.095 221 HE3 MET 26 2HE MET 26 11.112 6.140 -1.495 222 H GLU 27 H GLU 27 14.815 0.457 -3.666 223 HA GLU 27 HA GLU 27 15.312 0.302 -6.458 224 HB2 GLU 27 2HB GLU 27 16.986 -0.386 -4.775 225 HB3 GLU 27 1HB GLU 27 15.976 -1.768 -4.358 226 HG2 GLU 27 2HG GLU 27 16.235 -2.695 -6.550 227 HG3 GLU 27 1HG GLU 27 17.079 -1.253 -7.109 228 H ILE 28 H ILE 28 13.416 -1.735 -4.250 229 HA ILE 28 HA ILE 28 12.597 -3.616 -6.196 230 HB ILE 28 HB ILE 28 11.214 -2.781 -3.636 231 HG12 ILE 28 2HG1 ILE 28 13.001 -5.148 -4.252 232 HG13 ILE 28 1HG1 ILE 28 13.488 -3.714 -3.353 233 HG21 ILE 28 1HG2 ILE 28 9.622 -3.840 -5.137 234 HG22 ILE 28 2HG2 ILE 28 10.013 -4.924 -3.802 235 HG23 ILE 28 3HG2 ILE 28 10.731 -5.188 -5.390 236 HD11 ILE 28 3HD1 ILE 28 11.345 -5.654 -2.519 237 HD12 ILE 28 1HD1 ILE 28 11.890 -4.247 -1.606 238 HD13 ILE 28 2HD1 ILE 28 12.989 -5.599 -1.885 239 H ALA 29 H ALA 29 11.271 -0.542 -5.148 240 HA ALA 29 HA ALA 29 8.798 -0.664 -6.468 241 HB1 ALA 29 1HB ALA 29 8.712 1.745 -6.176 242 HB2 ALA 29 2HB ALA 29 10.439 1.782 -5.816 243 HB3 ALA 29 3HB ALA 29 9.327 0.969 -4.715 244 H LYS 30 H LYS 30 11.948 0.574 -7.534 245 HA LYS 30 HA LYS 30 10.890 1.506 -10.035 246 HB2 LYS 30 2HB LYS 30 13.747 1.127 -9.119 247 HB3 LYS 30 1HB LYS 30 13.264 1.948 -10.600 248 HG2 LYS 30 2HG LYS 30 12.165 3.682 -9.351 249 HG3 LYS 30 1HG LYS 30 12.456 2.830 -7.833 250 HD2 LYS 30 2HD LYS 30 14.852 3.110 -8.111 251 HD3 LYS 30 1HD LYS 30 14.600 3.893 -9.671 252 HE2 LYS 30 2HE LYS 30 15.023 5.547 -7.933 253 HE3 LYS 30 1HE LYS 30 13.385 5.705 -8.563 254 HZ1 LYS 30 3HZ LYS 30 14.131 4.349 -6.030 255 HZ2 LYS 30 1HZ LYS 30 12.554 4.522 -6.628 256 HZ3 LYS 30 2HZ LYS 30 13.440 5.885 -6.156 257 H GLU 31 H GLU 31 12.367 -1.374 -8.828 258 HA GLU 31 HA GLU 31 12.963 -2.655 -11.252 259 HB2 GLU 31 2HB GLU 31 13.785 -3.524 -9.155 260 HB3 GLU 31 1HB GLU 31 12.149 -3.751 -8.557 261 HG2 GLU 31 2HG GLU 31 13.208 -5.855 -9.213 262 HG3 GLU 31 1HG GLU 31 11.763 -5.510 -10.160 263 H LYS 32 H LYS 32 9.996 -2.471 -9.345 264 HA LYS 32 HA LYS 32 8.587 -4.147 -11.279 265 HB2 LYS 32 2HB LYS 32 8.270 -3.510 -8.453 266 HB3 LYS 32 1HB LYS 32 6.756 -3.423 -9.339 267 HG2 LYS 32 2HG LYS 32 7.094 -5.629 -8.369 268 HG3 LYS 32 1HG LYS 32 7.060 -5.700 -10.129 269 HD2 LYS 32 2HD LYS 32 9.514 -5.802 -10.166 270 HD3 LYS 32 1HD LYS 32 9.539 -5.741 -8.401 271 HE2 LYS 32 2HE LYS 32 8.300 -7.835 -8.295 272 HE3 LYS 32 1HE LYS 32 8.208 -7.889 -10.053 273 HZ1 LYS 32 3HZ LYS 32 10.718 -8.004 -8.458 274 HZ2 LYS 32 1HZ LYS 32 10.606 -8.111 -10.147 275 HZ3 LYS 32 2HZ LYS 32 9.946 -9.332 -9.174 276 H ASN 33 H ASN 33 9.231 -0.948 -10.974 277 HA ASN 33 HA ASN 33 8.424 0.958 -11.894 278 HB2 ASN 33 2HB ASN 33 6.760 -1.024 -13.435 279 HB3 ASN 33 1HB ASN 33 6.598 0.712 -13.674 280 HD21 ASN 33 1HD2 ASN 33 7.301 0.618 -15.777 281 HD22 ASN 33 2HD2 ASN 33 8.954 0.300 -16.200 282 H LEU 34 H LEU 34 7.524 0.241 -9.440 283 HA LEU 34 HA LEU 34 4.828 1.418 -9.352 284 HB2 LEU 34 2HB LEU 34 5.988 -0.699 -7.524 285 HB3 LEU 34 1HB LEU 34 4.438 0.092 -7.293 286 HG LEU 34 HG LEU 34 5.134 -1.655 -9.658 287 HD11 LEU 34 1HD1 LEU 34 3.506 -2.252 -7.191 288 HD12 LEU 34 2HD1 LEU 34 5.061 -2.966 -7.615 289 HD13 LEU 34 3HD1 LEU 34 3.638 -3.295 -8.606 290 HD21 LEU 34 3HD2 LEU 34 3.443 0.023 -10.158 291 HD22 LEU 34 1HD2 LEU 34 2.522 -0.462 -8.737 292 HD23 LEU 34 2HD2 LEU 34 2.721 -1.584 -10.083 293 H THR 35 H THR 35 4.473 2.502 -7.154 294 HA THR 35 HA THR 35 7.009 3.713 -6.281 295 HB THR 35 HB THR 35 5.658 5.480 -5.239 296 HG1 THR 35 1HG THR 35 3.432 4.048 -6.339 297 HG21 THR 35 3HG2 THR 35 4.787 6.525 -7.284 298 HG22 THR 35 1HG2 THR 35 4.906 4.978 -8.121 299 HG23 THR 35 2HG2 THR 35 6.366 5.787 -7.553 300 H LEU 36 H LEU 36 7.352 3.977 -3.949 301 HA LEU 36 HA LEU 36 6.948 1.622 -2.516 302 HB2 LEU 36 2HB LEU 36 7.829 2.743 -0.593 303 HB3 LEU 36 1HB LEU 36 8.724 3.255 -2.005 304 HG LEU 36 HG LEU 36 6.564 4.894 -0.672 305 HD11 LEU 36 1HD1 LEU 36 9.566 5.090 -0.452 306 HD12 LEU 36 2HD1 LEU 36 8.462 4.571 0.821 307 HD13 LEU 36 3HD1 LEU 36 8.406 6.231 0.227 308 HD21 LEU 36 3HD2 LEU 36 8.604 5.595 -2.783 309 HD22 LEU 36 1HD2 LEU 36 7.536 6.742 -1.976 310 HD23 LEU 36 2HD2 LEU 36 6.857 5.482 -3.005 311 H SER 37 H SER 37 5.049 4.551 -2.642 312 HA SER 37 HA SER 37 3.197 4.095 -0.630 313 HB2 SER 37 2HB SER 37 2.575 5.212 -3.372 314 HB3 SER 37 1HB SER 37 1.763 5.587 -1.851 315 HG SER 37 HG SER 37 3.153 7.137 -1.678 316 H ASP 38 H ASP 38 3.225 2.932 -3.981 317 HA ASP 38 HA ASP 38 0.757 1.566 -3.890 318 HB2 ASP 38 2HB ASP 38 3.180 1.042 -5.631 319 HB3 ASP 38 1HB ASP 38 1.598 0.311 -5.869 320 H VAL 39 H VAL 39 4.081 0.555 -3.302 321 HA VAL 39 HA VAL 39 3.594 -2.196 -3.122 322 HB VAL 39 HB VAL 39 5.759 -0.623 -1.711 323 HG11 VAL 39 1HG1 VAL 39 5.540 -2.870 -0.818 324 HG12 VAL 39 2HG1 VAL 39 7.017 -2.736 -1.772 325 HG13 VAL 39 3HG1 VAL 39 5.604 -3.547 -2.445 326 HG21 VAL 39 3HG2 VAL 39 5.752 -0.186 -4.111 327 HG22 VAL 39 1HG2 VAL 39 5.770 -1.920 -4.438 328 HG23 VAL 39 2HG2 VAL 39 7.152 -1.154 -3.653 329 H CYS 40 H CYS 40 3.462 0.350 -0.668 330 HA CYS 40 HA CYS 40 3.180 -1.432 1.517 331 HB2 CYS 40 2HB CYS 40 3.322 1.415 1.135 332 HB3 CYS 40 1HB CYS 40 2.001 1.040 2.224 333 HG CYS 40 HG CYS 40 3.749 -0.550 3.875 334 H ARG 41 H ARG 41 0.667 0.631 -0.034 335 HA ARG 41 HA ARG 41 -1.462 -0.604 1.251 336 HB2 ARG 41 2HB ARG 41 -2.860 0.204 -0.674 337 HB3 ARG 41 1HB ARG 41 -1.911 1.424 0.153 338 HG2 ARG 41 2HG ARG 41 -1.526 2.040 -1.985 339 HG3 ARG 41 1HG ARG 41 -0.201 0.893 -1.789 340 HD2 ARG 41 2HD ARG 41 -1.437 -0.828 -2.909 341 HD3 ARG 41 1HD ARG 41 -2.890 0.179 -2.944 342 HE ARG 41 HE ARG 41 -0.646 1.390 -4.255 343 HH11 ARG 41 1HH1 ARG 41 -3.333 -0.812 -4.694 344 HH12 ARG 41 2HH1 ARG 41 -3.407 -0.575 -6.411 345 HH21 ARG 41 1HH2 ARG 41 -0.737 1.706 -6.500 346 HH22 ARG 41 2HH2 ARG 41 -1.940 0.862 -7.441 347 H LEU 42 H LEU 42 0.253 -1.651 -1.671 348 HA LEU 42 HA LEU 42 -1.540 -3.788 -2.255 349 HB2 LEU 42 2HB LEU 42 1.386 -3.412 -2.904 350 HB3 LEU 42 1HB LEU 42 0.434 -4.764 -3.482 351 HG LEU 42 HG LEU 42 -0.112 -1.863 -4.111 352 HD11 LEU 42 1HD1 LEU 42 1.065 -4.062 -5.810 353 HD12 LEU 42 2HD1 LEU 42 1.924 -2.654 -5.186 354 HD13 LEU 42 3HD1 LEU 42 0.636 -2.448 -6.373 355 HD21 LEU 42 3HD2 LEU 42 -1.388 -4.395 -5.147 356 HD22 LEU 42 1HD2 LEU 42 -1.719 -2.763 -5.726 357 HD23 LEU 42 2HD2 LEU 42 -2.141 -3.215 -4.073 358 H ALA 43 H ALA 43 1.108 -3.337 -0.069 359 HA ALA 43 HA ALA 43 1.449 -6.056 0.624 360 HB1 ALA 43 1HB ALA 43 2.182 -3.596 2.179 361 HB2 ALA 43 2HB ALA 43 3.196 -4.408 0.985 362 HB3 ALA 43 3HB ALA 43 2.768 -5.233 2.484 363 H ILE 44 H ILE 44 -0.681 -3.504 1.667 364 HA ILE 44 HA ILE 44 -1.609 -4.724 4.053 365 HB ILE 44 HB ILE 44 -3.049 -2.778 2.227 366 HG12 ILE 44 2HG1 ILE 44 -1.450 -2.328 4.757 367 HG13 ILE 44 1HG1 ILE 44 -0.947 -1.886 3.129 368 HG21 ILE 44 1HG2 ILE 44 -3.644 -3.585 5.073 369 HG22 ILE 44 2HG2 ILE 44 -4.614 -3.974 3.651 370 HG23 ILE 44 3HG2 ILE 44 -4.459 -2.299 4.180 371 HD11 ILE 44 3HD1 ILE 44 -3.306 -0.744 4.614 372 HD12 ILE 44 1HD1 ILE 44 -2.798 -0.301 2.984 373 HD13 ILE 44 2HD1 ILE 44 -1.751 0.049 4.359 374 H LYS 45 H LYS 45 -2.569 -4.856 0.675 375 HA LYS 45 HA LYS 45 -4.776 -6.547 0.940 376 HB2 LYS 45 2HB LYS 45 -4.311 -5.451 -1.157 377 HB3 LYS 45 1HB LYS 45 -2.766 -6.276 -1.296 378 HG2 LYS 45 2HG LYS 45 -3.808 -8.354 -1.719 379 HG3 LYS 45 1HG LYS 45 -5.393 -7.732 -1.257 380 HD2 LYS 45 2HD LYS 45 -3.802 -6.684 -3.590 381 HD3 LYS 45 1HD LYS 45 -5.016 -7.959 -3.728 382 HE2 LYS 45 2HE LYS 45 -5.544 -5.204 -2.618 383 HE3 LYS 45 1HE LYS 45 -5.870 -5.687 -4.282 384 HZ1 LYS 45 3HZ LYS 45 -7.843 -5.802 -2.838 385 HZ2 LYS 45 1HZ LYS 45 -7.079 -6.983 -1.889 386 HZ3 LYS 45 2HZ LYS 45 -7.447 -7.304 -3.511 387 H GLU 46 H GLU 46 -1.321 -7.244 0.773 388 HA GLU 46 HA GLU 46 -1.557 -10.081 0.754 389 HB2 GLU 46 2HB GLU 46 0.720 -8.371 1.786 390 HB3 GLU 46 1HB GLU 46 0.809 -10.081 1.391 391 HG2 GLU 46 2HG GLU 46 0.128 -7.962 -0.621 392 HG3 GLU 46 1HG GLU 46 1.774 -8.501 -0.294 393 H TYR 47 H TYR 47 -1.369 -7.605 3.207 394 HA TYR 47 HA TYR 47 -1.011 -9.234 5.454 395 HB2 TYR 47 2HB TYR 47 -0.790 -6.695 5.278 396 HB3 TYR 47 1HB TYR 47 -2.543 -6.632 5.419 397 HD1 TYR 47 2HD TYR 47 -3.641 -7.282 7.536 398 HD2 TYR 47 1HD TYR 47 0.593 -7.176 7.159 399 HE1 TYR 47 2HE TYR 47 -3.426 -7.329 9.986 400 HE2 TYR 47 1HE TYR 47 0.821 -7.221 9.607 401 HH TYR 47 HH TYR 47 -0.453 -6.717 11.583 402 H LEU 48 H LEU 48 -3.909 -7.966 3.886 403 HA LEU 48 HA LEU 48 -5.772 -9.141 5.660 404 HB2 LEU 48 2HB LEU 48 -6.150 -8.309 2.783 405 HB3 LEU 48 1HB LEU 48 -7.436 -8.637 3.926 406 HG LEU 48 HG LEU 48 -5.444 -6.377 4.115 407 HD11 LEU 48 1HD1 LEU 48 -8.389 -6.393 3.474 408 HD12 LEU 48 2HD1 LEU 48 -7.079 -6.044 2.346 409 HD13 LEU 48 3HD1 LEU 48 -7.395 -4.955 3.697 410 HD21 LEU 48 3HD2 LEU 48 -6.819 -5.611 5.992 411 HD22 LEU 48 1HD2 LEU 48 -6.087 -7.182 6.321 412 HD23 LEU 48 2HD2 LEU 48 -7.791 -7.078 5.875 413 H ASP 49 H ASP 49 -4.331 -10.206 2.641 414 HA ASP 49 HA ASP 49 -5.909 -12.490 2.229 415 HB2 ASP 49 2HB ASP 49 -4.509 -11.584 0.477 416 HB3 ASP 49 1HB ASP 49 -3.061 -11.894 1.428 417 H ASN 50 H ASN 50 -2.827 -12.100 3.948 418 HA ASN 50 HA ASN 50 -2.675 -14.932 4.481 419 HB2 ASN 50 2HB ASN 50 -0.883 -12.613 5.154 420 HB3 ASN 50 1HB ASN 50 -0.581 -14.238 5.760 421 HD21 ASN 50 1HD2 ASN 50 -0.623 -12.181 2.964 422 HD22 ASN 50 2HD2 ASN 50 0.182 -13.280 1.895 423 H HIS 51 H HIS 51 -3.439 -12.023 6.344 424 HA HIS 51 HA HIS 51 -3.552 -13.605 8.793 425 HB2 HIS 51 2HB HIS 51 -3.904 -10.658 8.238 426 HB3 HIS 51 1HB HIS 51 -4.245 -11.365 9.812 427 HD1 HIS 51 1HD HIS 51 -2.285 -11.875 11.323 428 HD2 HIS 51 2HD HIS 51 -1.114 -10.731 7.495 429 HE1 HIS 51 1HE HIS 51 0.194 -11.462 11.463 430 HE2 HIS 51 2HE HIS 51 0.908 -10.880 9.119 431 H ASP 52 H ASP 52 -5.786 -11.252 7.334 432 HA ASP 52 HA ASP 52 -7.994 -11.261 6.890 433 HB2 ASP 52 2HB ASP 52 -7.426 -13.198 5.562 434 HB3 ASP 52 1HB ASP 52 -7.620 -14.251 6.959 435 H LYS 53 H LYS 53 -9.702 -10.783 8.071 436 HA LYS 53 HA LYS 53 -10.400 -12.520 10.334 437 HB2 LYS 53 2HB LYS 53 -10.251 -9.502 10.394 438 HB3 LYS 53 1HB LYS 53 -11.108 -10.453 11.601 439 HG2 LYS 53 2HG LYS 53 -8.968 -11.622 12.102 440 HG3 LYS 53 1HG LYS 53 -8.160 -10.502 11.005 441 HD2 LYS 53 2HD LYS 53 -7.924 -9.755 13.304 442 HD3 LYS 53 1HD LYS 53 -8.913 -8.618 12.388 443 HE2 LYS 53 2HE LYS 53 -9.819 -9.055 14.633 444 HE3 LYS 53 1HE LYS 53 -10.934 -9.541 13.357 445 HZ1 LYS 53 3HZ LYS 53 -10.352 -11.814 13.681 446 HZ2 LYS 53 1HZ LYS 53 -10.730 -11.163 15.197 447 HZ3 LYS 53 2HZ LYS 53 -9.110 -11.421 14.765 448 H GLN 54 H GLN 54 -11.461 -9.878 8.217 449 HA GLN 54 HA GLN 54 -13.934 -11.278 7.694 450 HB2 GLN 54 2HB GLN 54 -15.381 -9.369 8.263 451 HB3 GLN 54 1HB GLN 54 -14.547 -9.988 9.682 452 HG2 GLN 54 2HG GLN 54 -12.913 -8.175 9.497 453 HG3 GLN 54 1HG GLN 54 -13.794 -7.540 8.107 454 HE21 GLN 54 1HE2 GLN 54 -14.322 -5.608 9.034 455 HE22 GLN 54 2HE2 GLN 54 -15.426 -5.455 10.367 456 H LYS 55 H LYS 55 -14.795 -10.754 5.708 457 HA LYS 55 HA LYS 55 -12.983 -9.100 4.067 458 HB2 LYS 55 2HB LYS 55 -14.735 -11.331 3.055 459 HB3 LYS 55 1HB LYS 55 -13.327 -10.616 2.282 460 HG2 LYS 55 2HG LYS 55 -11.894 -11.567 4.027 461 HG3 LYS 55 1HG LYS 55 -13.312 -12.303 4.775 462 HD2 LYS 55 2HD LYS 55 -13.704 -13.500 2.602 463 HD3 LYS 55 1HD LYS 55 -12.125 -12.909 2.076 464 HE2 LYS 55 2HE LYS 55 -11.155 -13.983 4.130 465 HE3 LYS 55 1HE LYS 55 -12.733 -14.721 4.406 466 HZ1 LYS 55 3HZ LYS 55 -11.448 -16.302 3.267 467 HZ2 LYS 55 1HZ LYS 55 -10.883 -15.167 2.136 468 HZ3 LYS 55 2HZ LYS 55 -12.503 -15.664 2.103 469 H LYS 56 H LYS 56 -15.694 -8.547 5.506 470 HA LYS 56 HA LYS 56 -17.211 -7.640 3.178 471 HB2 LYS 56 2HB LYS 56 -19.042 -7.203 4.800 472 HB3 LYS 56 1HB LYS 56 -18.542 -8.885 4.740 473 HG2 LYS 56 2HG LYS 56 -17.267 -8.591 6.795 474 HG3 LYS 56 1HG LYS 56 -17.747 -6.893 6.851 475 HD2 LYS 56 2HD LYS 56 -20.087 -7.545 7.023 476 HD3 LYS 56 1HD LYS 56 -19.632 -9.246 6.920 477 HE2 LYS 56 2HE LYS 56 -18.338 -9.000 8.998 478 HE3 LYS 56 1HE LYS 56 -18.858 -7.319 9.107 479 HZ1 LYS 56 3HZ LYS 56 -20.199 -8.803 10.491 480 HZ2 LYS 56 1HZ LYS 56 -20.675 -9.668 9.112 481 HZ3 LYS 56 2HZ LYS 56 -21.134 -8.046 9.297 482 H1 GLY 2 1HT GLY 2 19.501 20.775 11.316 483 H2 GLY 2 2HT GLY 2 18.515 19.499 11.847 484 H3 GLY 2 3HT GLY 2 18.183 20.264 10.375 485 HA2 GLY 2 1HA GLY 2 20.148 19.406 9.378 486 HA3 GLY 2 2HA GLY 2 20.673 18.761 10.929 487 H ARG 3 H ARG 3 20.806 16.684 9.965 488 HA ARG 3 HA ARG 3 18.182 15.365 9.905 489 HB2 ARG 3 2HB ARG 3 20.482 15.007 7.992 490 HB3 ARG 3 1HB ARG 3 19.267 13.755 8.218 491 HG2 ARG 3 2HG ARG 3 17.523 15.232 7.485 492 HG3 ARG 3 1HG ARG 3 18.652 16.585 7.399 493 HD2 ARG 3 2HD ARG 3 19.008 14.074 5.790 494 HD3 ARG 3 1HD ARG 3 18.056 15.442 5.211 495 HE ARG 3 HE ARG 3 20.494 16.490 5.972 496 HH11 ARG 3 1HH1 ARG 3 19.391 14.071 3.667 497 HH12 ARG 3 2HH1 ARG 3 20.681 14.391 2.540 498 HH21 ARG 3 1HH2 ARG 3 22.148 16.941 4.457 499 HH22 ARG 3 2HH2 ARG 3 22.203 16.053 2.961 500 HA PRO 4 HA PRO 4 20.739 13.743 13.308 501 HB2 PRO 4 2HB PRO 4 18.613 12.817 14.754 502 HB3 PRO 4 1HB PRO 4 19.186 14.487 14.806 503 HG2 PRO 4 2HG PRO 4 16.915 13.306 13.253 504 HG3 PRO 4 1HG PRO 4 16.982 14.833 14.155 505 HD2 PRO 4 2HD PRO 4 17.229 14.756 11.478 506 HD3 PRO 4 1HD PRO 4 18.127 15.927 12.465 507 H TYR 5 H TYR 5 21.126 11.706 14.213 508 HA TYR 5 HA TYR 5 21.529 9.499 14.186 509 HB2 TYR 5 2HB TYR 5 18.807 9.329 12.873 510 HB3 TYR 5 1HB TYR 5 19.729 7.944 13.453 511 HD1 TYR 5 1HD TYR 5 20.189 7.732 15.914 512 HD2 TYR 5 2HD TYR 5 17.522 10.651 14.353 513 HE1 TYR 5 1HE TYR 5 19.207 8.021 18.150 514 HE2 TYR 5 2HE TYR 5 16.533 10.951 16.582 515 HH TYR 5 HH TYR 5 17.960 9.721 19.415 516 H LYS 6 H LYS 6 19.699 9.135 11.236 517 HA LYS 6 HA LYS 6 22.024 9.585 9.587 518 HB2 LYS 6 2HB LYS 6 21.608 7.324 8.423 519 HB3 LYS 6 1HB LYS 6 22.522 7.344 9.922 520 HG2 LYS 6 2HG LYS 6 20.595 6.581 11.155 521 HG3 LYS 6 1HG LYS 6 19.594 6.682 9.706 522 HD2 LYS 6 2HD LYS 6 20.776 4.910 8.661 523 HD3 LYS 6 1HD LYS 6 22.050 4.953 9.883 524 HE2 LYS 6 2HE LYS 6 20.487 3.058 10.169 525 HE3 LYS 6 1HE LYS 6 20.543 4.134 11.562 526 HZ1 LYS 6 3HZ LYS 6 18.434 4.120 9.464 527 HZ2 LYS 6 1HZ LYS 6 18.494 5.164 10.804 528 HZ3 LYS 6 2HZ LYS 6 18.286 3.501 11.033 529 H LEU 7 H LEU 7 20.788 11.278 8.861 530 HA LEU 7 HA LEU 7 19.423 12.387 7.435 531 HB2 LEU 7 2HB LEU 7 19.255 9.712 6.040 532 HB3 LEU 7 1HB LEU 7 18.736 11.237 5.359 533 HG LEU 7 HG LEU 7 20.777 10.923 4.342 534 HD11 LEU 7 1HD1 LEU 7 21.461 12.466 6.831 535 HD12 LEU 7 2HD1 LEU 7 20.740 13.114 5.358 536 HD13 LEU 7 3HD1 LEU 7 22.383 12.472 5.330 537 HD21 LEU 7 3HD2 LEU 7 22.792 10.073 5.453 538 HD22 LEU 7 1HD2 LEU 7 21.452 8.929 5.534 539 HD23 LEU 7 2HD2 LEU 7 21.877 9.889 6.950 540 H LEU 8 H LEU 8 18.248 11.538 9.751 541 HA LEU 8 HA LEU 8 16.238 11.389 10.775 542 HB2 LEU 8 2HB LEU 8 15.347 11.884 7.982 543 HB3 LEU 8 1HB LEU 8 14.166 11.248 9.108 544 HG LEU 8 HG LEU 8 13.936 13.625 9.031 545 HD11 LEU 8 1HD1 LEU 8 13.634 12.606 11.214 546 HD12 LEU 8 2HD1 LEU 8 14.314 14.227 11.367 547 HD13 LEU 8 3HD1 LEU 8 15.349 12.813 11.565 548 HD21 LEU 8 3HD2 LEU 8 15.751 15.149 9.604 549 HD22 LEU 8 1HD2 LEU 8 16.141 14.192 8.174 550 HD23 LEU 8 2HD2 LEU 8 16.861 13.784 9.731 551 H ASN 9 H ASN 9 15.160 9.752 11.649 552 HA ASN 9 HA ASN 9 15.511 7.114 10.505 553 HB2 ASN 9 2HB ASN 9 14.611 6.292 12.633 554 HB3 ASN 9 1HB ASN 9 15.902 7.452 12.911 555 HD21 ASN 9 1HD2 ASN 9 13.775 6.617 14.681 556 HD22 ASN 9 2HD2 ASN 9 12.898 8.050 15.109 557 H GLY 10 H GLY 10 13.625 9.246 9.456 558 HA2 GLY 10 2HA GLY 10 11.485 7.471 8.800 559 HA3 GLY 10 1HA GLY 10 10.978 8.755 9.892 560 H ILE 11 H ILE 11 11.342 7.861 6.738 561 HA ILE 11 HA ILE 11 11.452 10.632 5.744 562 HB ILE 11 HB ILE 11 11.621 8.119 4.071 563 HG12 ILE 11 2HG1 ILE 11 13.456 8.100 5.704 564 HG13 ILE 11 1HG1 ILE 11 14.051 8.363 4.067 565 HG21 ILE 11 1HG2 ILE 11 12.708 9.627 2.444 566 HG22 ILE 11 2HG2 ILE 11 12.411 10.979 3.536 567 HG23 ILE 11 3HG2 ILE 11 11.054 10.108 2.822 568 HD11 ILE 11 3HD1 ILE 11 15.208 9.783 5.651 569 HD12 ILE 11 1HD1 ILE 11 13.673 10.467 6.187 570 HD13 ILE 11 2HD1 ILE 11 14.241 10.760 4.544 571 H LYS 12 H LYS 12 9.838 11.188 4.036 572 HA LYS 12 HA LYS 12 7.279 10.175 5.028 573 HB2 LYS 12 2HB LYS 12 7.710 12.580 5.219 574 HB3 LYS 12 1HB LYS 12 7.943 12.687 3.483 575 HG2 LYS 12 2HG LYS 12 5.754 13.505 4.106 576 HG3 LYS 12 1HG LYS 12 5.610 12.039 3.133 577 HD2 LYS 12 2HD LYS 12 5.239 10.724 5.149 578 HD3 LYS 12 1HD LYS 12 5.437 12.167 6.145 579 HE2 LYS 12 2HE LYS 12 3.277 11.713 4.086 580 HE3 LYS 12 1HE LYS 12 3.077 11.615 5.835 581 HZ1 LYS 12 3HZ LYS 12 3.690 14.028 4.218 582 HZ2 LYS 12 1HZ LYS 12 3.807 13.993 5.910 583 HZ3 LYS 12 2HZ LYS 12 2.312 13.729 5.156 584 H LEU 13 H LEU 13 6.090 8.907 3.892 585 HA LEU 13 HA LEU 13 6.100 9.123 0.968 586 HB2 LEU 13 2HB LEU 13 5.663 6.662 0.895 587 HB3 LEU 13 1HB LEU 13 7.286 7.108 1.380 588 HG LEU 13 HG LEU 13 5.223 6.502 3.473 589 HD11 LEU 13 1HD1 LEU 13 5.928 4.155 3.437 590 HD12 LEU 13 2HD1 LEU 13 6.884 4.466 1.987 591 HD13 LEU 13 3HD1 LEU 13 5.128 4.615 1.934 592 HD21 LEU 13 3HD2 LEU 13 7.367 7.470 4.165 593 HD22 LEU 13 1HD2 LEU 13 8.222 6.163 3.344 594 HD23 LEU 13 2HD2 LEU 13 7.201 5.808 4.737 595 H GLY 14 H GLY 14 4.122 9.207 0.053 596 HA2 GLY 14 2HA GLY 14 1.856 9.085 1.909 597 HA3 GLY 14 1HA GLY 14 1.887 9.995 0.407 598 H VAL 15 H VAL 15 0.536 7.409 1.806 599 HA VAL 15 HA VAL 15 0.514 5.793 -0.652 600 HB VAL 15 HB VAL 15 -0.381 4.996 2.143 601 HG11 VAL 15 1HG1 VAL 15 -0.460 2.725 1.261 602 HG12 VAL 15 2HG1 VAL 15 -0.037 3.325 -0.342 603 HG13 VAL 15 3HG1 VAL 15 -1.575 3.780 0.393 604 HG21 VAL 15 3HG2 VAL 15 2.129 4.303 0.625 605 HG22 VAL 15 1HG2 VAL 15 1.638 3.604 2.169 606 HG23 VAL 15 2HG2 VAL 15 2.020 5.322 2.061 607 H TYR 16 H TYR 16 -1.535 5.024 -1.445 608 HA TYR 16 HA TYR 16 -3.856 6.617 -0.582 609 HB2 TYR 16 2HB TYR 16 -2.664 6.317 -3.264 610 HB3 TYR 16 1HB TYR 16 -4.415 6.127 -3.200 611 HD1 TYR 16 2HD TYR 16 -5.553 7.979 -1.599 612 HD2 TYR 16 1HD TYR 16 -1.913 8.446 -3.747 613 HE1 TYR 16 2HE TYR 16 -5.839 10.409 -1.528 614 HE2 TYR 16 1HE TYR 16 -2.191 10.887 -3.690 615 HH TYR 16 HH TYR 16 -3.982 12.527 -3.463 616 H ILE 17 H ILE 17 -5.585 5.422 -0.037 617 HA ILE 17 HA ILE 17 -5.969 2.835 -1.317 618 HB ILE 17 HB ILE 17 -6.362 1.634 0.736 619 HG12 ILE 17 2HG1 ILE 17 -5.495 4.149 2.172 620 HG13 ILE 17 1HG1 ILE 17 -7.123 3.477 2.161 621 HG21 ILE 17 1HG2 ILE 17 -4.073 1.516 1.605 622 HG22 ILE 17 2HG2 ILE 17 -3.686 3.010 0.755 623 HG23 ILE 17 3HG2 ILE 17 -4.117 1.564 -0.157 624 HD11 ILE 17 3HD1 ILE 17 -6.295 1.477 3.304 625 HD12 ILE 17 1HD1 ILE 17 -5.977 2.945 4.231 626 HD13 ILE 17 2HD1 ILE 17 -4.674 2.168 3.326 627 HA PRO 18 HA PRO 18 -10.241 3.717 -1.589 628 HB2 PRO 18 2HB PRO 18 -10.752 1.127 -0.207 629 HB3 PRO 18 1HB PRO 18 -11.367 1.718 -1.754 630 HG2 PRO 18 2HG PRO 18 -9.443 -0.119 -1.672 631 HG3 PRO 18 1HG PRO 18 -9.421 1.172 -2.889 632 HD2 PRO 18 2HD PRO 18 -7.776 0.864 -0.414 633 HD3 PRO 18 1HD PRO 18 -7.341 1.555 -1.994 634 H GLN 19 H GLN 19 -12.155 4.243 -0.418 635 HA GLN 19 HA GLN 19 -11.640 5.073 2.278 636 HB2 GLN 19 2HB GLN 19 -13.799 6.127 2.232 637 HB3 GLN 19 1HB GLN 19 -12.995 6.441 0.705 638 HG2 GLN 19 2HG GLN 19 -14.895 5.818 -0.251 639 HG3 GLN 19 1HG GLN 19 -14.439 4.170 0.173 640 HE21 GLN 19 1HE2 GLN 19 -14.821 4.661 3.054 641 HE22 GLN 19 2HE2 GLN 19 -16.534 4.680 3.298 642 H GLU 20 H GLU 20 -13.473 2.503 0.718 643 HA GLU 20 HA GLU 20 -14.677 1.416 3.020 644 HB2 GLU 20 2HB GLU 20 -14.178 -0.826 1.631 645 HB3 GLU 20 1HB GLU 20 -15.490 0.274 1.241 646 HG2 GLU 20 2HG GLU 20 -12.805 0.597 -0.037 647 HG3 GLU 20 1HG GLU 20 -13.957 -0.594 -0.642 648 H TRP 21 H TRP 21 -11.408 1.469 1.953 649 HA TRP 21 HA TRP 21 -10.501 -0.605 3.732 650 HB2 TRP 21 2HB TRP 21 -9.316 1.174 1.720 651 HB3 TRP 21 1HB TRP 21 -8.282 0.890 3.114 652 HD1 TRP 21 HD TRP 21 -10.545 -1.849 1.604 653 HE1 TRP 21 1HE TRP 21 -9.017 -3.703 0.662 654 HE3 TRP 21 3HE TRP 21 -6.051 0.399 2.353 655 HZ2 TRP 21 2HZ TRP 21 -6.227 -4.127 0.295 656 HZ3 TRP 21 3HZ TRP 21 -4.011 -0.762 1.682 657 HH2 TRP 21 HH TRP 21 -4.082 -2.966 0.690 658 H HIS 22 H HIS 22 -10.440 2.946 3.628 659 HA HIS 22 HA HIS 22 -9.234 3.335 6.133 660 HB2 HIS 22 2HB HIS 22 -11.093 4.997 4.466 661 HB3 HIS 22 1HB HIS 22 -10.696 5.507 6.106 662 HD1 HIS 22 1HD HIS 22 -8.702 6.945 6.293 663 HD2 HIS 22 2HD HIS 22 -8.593 4.576 2.871 664 HE1 HIS 22 1HE HIS 22 -6.624 7.638 5.051 665 HE2 HIS 22 2HE HIS 22 -6.546 6.152 3.014 666 H ASP 23 H ASP 23 -12.531 2.675 5.200 667 HA ASP 23 HA ASP 23 -13.826 3.027 7.638 668 HB2 ASP 23 2HB ASP 23 -14.960 2.665 5.489 669 HB3 ASP 23 1HB ASP 23 -14.364 1.010 5.448 670 H ARG 24 H ARG 24 -12.721 -0.088 6.264 671 HA ARG 24 HA ARG 24 -13.254 -1.495 8.697 672 HB2 ARG 24 2HB ARG 24 -11.520 -2.489 6.440 673 HB3 ARG 24 1HB ARG 24 -12.453 -3.441 7.580 674 HG2 ARG 24 2HG ARG 24 -13.636 -1.657 5.471 675 HG3 ARG 24 1HG ARG 24 -13.384 -3.391 5.298 676 HD2 ARG 24 2HD ARG 24 -14.805 -3.618 7.414 677 HD3 ARG 24 1HD ARG 24 -15.277 -1.943 7.123 678 HE ARG 24 HE ARG 24 -16.063 -4.282 5.619 679 HH11 ARG 24 1HH1 ARG 24 -15.905 -0.764 5.638 680 HH12 ARG 24 2HH1 ARG 24 -16.931 -0.595 4.244 681 HH21 ARG 24 1HH2 ARG 24 -17.362 -4.062 3.795 682 HH22 ARG 24 2HH2 ARG 24 -17.755 -2.473 3.181 683 H LEU 25 H LEU 25 -10.287 -0.580 6.981 684 HA LEU 25 HA LEU 25 -8.558 -1.945 8.745 685 HB2 LEU 25 2HB LEU 25 -8.127 0.133 6.624 686 HB3 LEU 25 1HB LEU 25 -6.801 -0.410 7.629 687 HG LEU 25 HG LEU 25 -6.847 -1.558 5.451 688 HD11 LEU 25 1HD1 LEU 25 -6.690 -3.853 6.300 689 HD12 LEU 25 2HD1 LEU 25 -7.459 -3.341 7.803 690 HD13 LEU 25 3HD1 LEU 25 -5.878 -2.700 7.358 691 HD21 LEU 25 3HD2 LEU 25 -8.592 -3.164 4.919 692 HD22 LEU 25 1HD2 LEU 25 -9.259 -1.537 5.062 693 HD23 LEU 25 2HD2 LEU 25 -9.480 -2.699 6.371 694 H MET 26 H MET 26 -9.599 1.467 8.594 695 HA MET 26 HA MET 26 -7.852 2.268 10.691 696 HB2 MET 26 2HB MET 26 -9.342 3.675 8.945 697 HB3 MET 26 1HB MET 26 -10.389 3.759 10.354 698 HG2 MET 26 2HG MET 26 -7.492 4.565 10.357 699 HG3 MET 26 1HG MET 26 -8.831 5.678 10.094 700 HE1 MET 26 3HE MET 26 -7.607 6.623 13.692 701 HE2 MET 26 1HE MET 26 -7.975 7.224 12.075 702 HE3 MET 26 2HE MET 26 -6.616 6.128 12.319 703 H GLU 27 H GLU 27 -11.089 0.845 10.631 704 HA GLU 27 HA GLU 27 -11.582 1.251 13.396 705 HB2 GLU 27 2HB GLU 27 -13.323 0.523 11.739 706 HB3 GLU 27 1HB GLU 27 -12.571 -1.070 11.728 707 HG2 GLU 27 2HG GLU 27 -13.027 -1.321 14.100 708 HG3 GLU 27 1HG GLU 27 -13.731 0.293 14.150 709 H ILE 28 H ILE 28 -9.906 -1.244 11.579 710 HA ILE 28 HA ILE 28 -9.249 -2.905 13.786 711 HB ILE 28 HB ILE 28 -7.724 -2.503 11.198 712 HG12 ILE 28 2HG1 ILE 28 -9.766 -4.611 11.937 713 HG13 ILE 28 1HG1 ILE 28 -10.078 -3.227 10.896 714 HG21 ILE 28 1HG2 ILE 28 -6.378 -3.547 12.974 715 HG22 ILE 28 2HG2 ILE 28 -6.706 -4.657 11.642 716 HG23 ILE 28 3HG2 ILE 28 -7.608 -4.798 13.152 717 HD11 ILE 28 3HD1 ILE 28 -9.713 -5.242 9.595 718 HD12 ILE 28 1HD1 ILE 28 -8.128 -5.452 10.339 719 HD13 ILE 28 2HD1 ILE 28 -8.435 -4.064 9.295 720 H ALA 29 H ALA 29 -7.846 -0.059 12.345 721 HA ALA 29 HA ALA 29 -5.438 0.038 13.799 722 HB1 ALA 29 1HB ALA 29 -5.331 2.365 13.109 723 HB2 ALA 29 2HB ALA 29 -7.035 2.329 12.656 724 HB3 ALA 29 3HB ALA 29 -5.867 1.352 11.768 725 H LYS 30 H LYS 30 -8.710 0.969 14.590 726 HA LYS 30 HA LYS 30 -7.991 2.415 16.977 727 HB2 LYS 30 2HB LYS 30 -10.654 1.190 16.211 728 HB3 LYS 30 1HB LYS 30 -10.386 2.394 17.466 729 HG2 LYS 30 2HG LYS 30 -9.804 4.057 15.824 730 HG3 LYS 30 1HG LYS 30 -9.897 2.860 14.528 731 HD2 LYS 30 2HD LYS 30 -12.267 2.567 14.919 732 HD3 LYS 30 1HD LYS 30 -12.205 3.659 16.304 733 HE2 LYS 30 2HE LYS 30 -13.116 4.805 14.375 734 HE3 LYS 30 1HE LYS 30 -11.550 5.491 14.805 735 HZ1 LYS 30 3HZ LYS 30 -10.542 4.207 13.020 736 HZ2 LYS 30 1HZ LYS 30 -11.776 5.203 12.421 737 HZ3 LYS 30 2HZ LYS 30 -12.051 3.544 12.611 738 H GLU 31 H GLU 31 -9.098 -0.752 16.081 739 HA GLU 31 HA GLU 31 -9.464 -1.881 18.603 740 HB2 GLU 31 2HB GLU 31 -10.319 -2.866 16.546 741 HB3 GLU 31 1HB GLU 31 -8.685 -3.134 15.963 742 HG2 GLU 31 2HG GLU 31 -9.722 -5.183 16.752 743 HG3 GLU 31 1HG GLU 31 -8.300 -4.762 17.706 744 H LYS 32 H LYS 32 -6.602 -1.731 16.516 745 HA LYS 32 HA LYS 32 -5.031 -3.173 18.512 746 HB2 LYS 32 2HB LYS 32 -4.837 -2.725 15.618 747 HB3 LYS 32 1HB LYS 32 -3.299 -2.698 16.467 748 HG2 LYS 32 2HG LYS 32 -4.085 -4.920 15.501 749 HG3 LYS 32 1HG LYS 32 -3.498 -4.912 17.163 750 HD2 LYS 32 2HD LYS 32 -6.419 -4.542 16.697 751 HD3 LYS 32 1HD LYS 32 -5.736 -6.155 16.477 752 HE2 LYS 32 2HE LYS 32 -4.844 -6.106 18.741 753 HE3 LYS 32 1HE LYS 32 -5.446 -4.466 18.964 754 HZ1 LYS 32 3HZ LYS 32 -7.670 -5.234 18.878 755 HZ2 LYS 32 1HZ LYS 32 -6.847 -6.251 19.952 756 HZ3 LYS 32 2HZ LYS 32 -7.199 -6.783 18.381 757 H ASN 33 H ASN 33 -5.771 -0.025 17.947 758 HA ASN 33 HA ASN 33 -4.964 1.951 18.730 759 HB2 ASN 33 2HB ASN 33 -3.084 0.152 20.272 760 HB3 ASN 33 1HB ASN 33 -3.204 1.891 20.513 761 HD21 ASN 33 1HD2 ASN 33 -5.085 2.748 21.430 762 HD22 ASN 33 2HD2 ASN 33 -6.167 1.755 22.355 763 H LEU 34 H LEU 34 -4.182 1.270 16.280 764 HA LEU 34 HA LEU 34 -1.459 2.348 16.053 765 HB2 LEU 34 2HB LEU 34 -2.619 0.046 14.463 766 HB3 LEU 34 1HB LEU 34 -1.097 0.841 14.105 767 HG LEU 34 HG LEU 34 -1.696 -0.697 16.637 768 HD11 LEU 34 1HD1 LEU 34 -0.029 -1.447 14.240 769 HD12 LEU 34 2HD1 LEU 34 -1.585 -2.151 14.682 770 HD13 LEU 34 3HD1 LEU 34 -0.184 -2.381 15.727 771 HD21 LEU 34 3HD2 LEU 34 0.879 0.494 15.610 772 HD22 LEU 34 1HD2 LEU 34 0.701 -0.490 17.061 773 HD23 LEU 34 2HD2 LEU 34 -0.068 1.094 16.972 774 H THR 35 H THR 35 -1.118 3.235 13.760 775 HA THR 35 HA THR 35 -3.673 4.295 12.751 776 HB THR 35 HB THR 35 -2.395 5.970 11.545 777 HG1 THR 35 1HG THR 35 -0.053 4.769 12.671 778 HG21 THR 35 3HG2 THR 35 -1.386 7.192 13.411 779 HG22 THR 35 1HG2 THR 35 -1.407 5.724 14.389 780 HG23 THR 35 2HG2 THR 35 -2.924 6.467 13.880 781 H LEU 36 H LEU 36 -3.952 4.327 10.366 782 HA LEU 36 HA LEU 36 -3.453 1.823 9.210 783 HB2 LEU 36 2HB LEU 36 -4.340 2.684 7.166 784 HB3 LEU 36 1HB LEU 36 -5.289 3.309 8.496 785 HG LEU 36 HG LEU 36 -3.146 4.900 7.084 786 HD11 LEU 36 1HD1 LEU 36 -4.970 5.993 5.896 787 HD12 LEU 36 2HD1 LEU 36 -6.128 4.896 6.649 788 HD13 LEU 36 3HD1 LEU 36 -4.918 4.269 5.529 789 HD21 LEU 36 3HD2 LEU 36 -5.375 5.690 8.964 790 HD22 LEU 36 1HD2 LEU 36 -4.342 6.818 8.085 791 HD23 LEU 36 2HD2 LEU 36 -3.643 5.747 9.297 792 H SER 37 H SER 37 -1.679 4.836 9.061 793 HA SER 37 HA SER 37 0.243 4.169 7.157 794 HB2 SER 37 2HB SER 37 0.693 5.746 9.705 795 HB3 SER 37 1HB SER 37 1.608 5.872 8.202 796 HG SER 37 HG SER 37 0.213 7.464 7.929 797 H ASP 38 H ASP 38 0.094 3.438 10.637 798 HA ASP 38 HA ASP 38 2.578 2.103 10.814 799 HB2 ASP 38 2HB ASP 38 0.039 1.782 12.426 800 HB3 ASP 38 1HB ASP 38 1.521 0.908 12.790 801 H VAL 39 H VAL 39 -0.700 0.921 10.217 802 HA VAL 39 HA VAL 39 -0.062 -1.815 10.097 803 HB VAL 39 HB VAL 39 -2.331 -0.379 8.698 804 HG11 VAL 39 1HG1 VAL 39 -2.038 -3.273 9.489 805 HG12 VAL 39 2HG1 VAL 39 -1.979 -2.634 7.846 806 HG13 VAL 39 3HG1 VAL 39 -3.474 -2.536 8.776 807 HG21 VAL 39 3HG2 VAL 39 -2.312 0.094 11.090 808 HG22 VAL 39 1HG2 VAL 39 -2.229 -1.633 11.441 809 HG23 VAL 39 2HG2 VAL 39 -3.663 -0.958 10.669 810 H CYS 40 H CYS 40 0.002 0.722 7.679 811 HA CYS 40 HA CYS 40 0.204 -0.936 5.408 812 HB2 CYS 40 2HB CYS 40 -0.304 1.626 5.683 813 HB3 CYS 40 1HB CYS 40 1.436 1.812 5.487 814 HG CYS 40 HG CYS 40 -0.076 -0.093 3.172 815 H ARG 41 H ARG 41 2.795 0.919 7.062 816 HA ARG 41 HA ARG 41 4.903 -0.363 5.778 817 HB2 ARG 41 2HB ARG 41 6.292 0.556 7.645 818 HB3 ARG 41 1HB ARG 41 5.307 1.732 6.798 819 HG2 ARG 41 2HG ARG 41 4.882 2.419 8.892 820 HG3 ARG 41 1HG ARG 41 3.644 1.166 8.808 821 HD2 ARG 41 2HD ARG 41 5.111 -0.406 9.925 822 HD3 ARG 41 1HD ARG 41 6.419 0.784 9.930 823 HE ARG 41 HE ARG 41 4.011 1.678 11.236 824 HH11 ARG 41 1HH1 ARG 41 7.098 0.076 11.663 825 HH12 ARG 41 2HH1 ARG 41 7.114 0.305 13.387 826 HH21 ARG 41 1HH2 ARG 41 4.044 2.007 13.494 827 HH22 ARG 41 2HH2 ARG 41 5.381 1.384 14.420 828 H LEU 42 H LEU 42 3.207 -1.229 8.785 829 HA LEU 42 HA LEU 42 5.022 -3.298 9.499 830 HB2 LEU 42 2HB LEU 42 2.095 -2.947 10.164 831 HB3 LEU 42 1HB LEU 42 3.123 -4.185 10.863 832 HG LEU 42 HG LEU 42 3.547 -1.208 11.164 833 HD11 LEU 42 1HD1 LEU 42 2.471 -3.251 13.113 834 HD12 LEU 42 2HD1 LEU 42 1.553 -1.952 12.352 835 HD13 LEU 42 3HD1 LEU 42 2.845 -1.570 13.488 836 HD21 LEU 42 3HD2 LEU 42 5.620 -2.499 11.249 837 HD22 LEU 42 1HD2 LEU 42 4.918 -3.560 12.470 838 HD23 LEU 42 2HD2 LEU 42 5.203 -1.859 12.838 839 H ALA 43 H ALA 43 2.491 -3.024 7.203 840 HA ALA 43 HA ALA 43 2.003 -5.788 6.841 841 HB1 ALA 43 1HB ALA 43 0.395 -4.061 6.188 842 HB2 ALA 43 2HB ALA 43 0.801 -5.131 4.847 843 HB3 ALA 43 3HB ALA 43 1.505 -3.517 4.929 844 H ILE 44 H ILE 44 4.209 -3.452 5.254 845 HA ILE 44 HA ILE 44 5.070 -5.388 3.334 846 HB ILE 44 HB ILE 44 6.978 -3.943 2.833 847 HG12 ILE 44 2HG1 ILE 44 5.906 -2.153 5.020 848 HG13 ILE 44 1HG1 ILE 44 7.416 -3.062 5.084 849 HG21 ILE 44 1HG2 ILE 44 4.384 -2.450 3.035 850 HG22 ILE 44 2HG2 ILE 44 4.839 -3.573 1.752 851 HG23 ILE 44 3HG2 ILE 44 5.728 -2.063 1.960 852 HD11 ILE 44 3HD1 ILE 44 6.775 -0.868 3.119 853 HD12 ILE 44 1HD1 ILE 44 8.286 -1.774 3.214 854 HD13 ILE 44 2HD1 ILE 44 7.809 -0.720 4.543 855 H LYS 45 H LYS 45 5.998 -4.628 6.599 856 HA LYS 45 HA LYS 45 8.363 -6.121 6.687 857 HB2 LYS 45 2HB LYS 45 7.817 -4.761 8.570 858 HB3 LYS 45 1HB LYS 45 6.276 -5.575 8.796 859 HG2 LYS 45 2HG LYS 45 7.315 -7.525 9.628 860 HG3 LYS 45 1HG LYS 45 8.908 -6.993 9.091 861 HD2 LYS 45 2HD LYS 45 7.317 -5.447 11.119 862 HD3 LYS 45 1HD LYS 45 8.371 -6.785 11.581 863 HE2 LYS 45 2HE LYS 45 9.263 -4.372 10.005 864 HE3 LYS 45 1HE LYS 45 9.450 -4.550 11.750 865 HZ1 LYS 45 3HZ LYS 45 11.468 -5.156 10.516 866 HZ2 LYS 45 1HZ LYS 45 10.620 -6.394 9.729 867 HZ3 LYS 45 2HZ LYS 45 10.851 -6.461 11.406 868 H GLU 46 H GLU 46 4.978 -7.101 7.057 869 HA GLU 46 HA GLU 46 5.514 -9.878 7.433 870 HB2 GLU 46 2HB GLU 46 3.029 -8.563 6.305 871 HB3 GLU 46 1HB GLU 46 3.135 -10.191 6.956 872 HG2 GLU 46 2HG GLU 46 3.661 -7.723 8.585 873 HG3 GLU 46 1HG GLU 46 2.075 -8.475 8.442 874 H TYR 47 H TYR 47 5.008 -7.750 4.739 875 HA TYR 47 HA TYR 47 4.584 -9.609 2.698 876 HB2 TYR 47 2HB TYR 47 4.168 -7.153 2.576 877 HB3 TYR 47 1HB TYR 47 5.905 -6.894 2.499 878 HD1 TYR 47 1HD TYR 47 3.218 -8.791 0.751 879 HD2 TYR 47 2HD TYR 47 6.862 -6.631 0.398 880 HE1 TYR 47 1HE TYR 47 3.068 -8.955 -1.691 881 HE2 TYR 47 2HE TYR 47 6.726 -6.798 -2.055 882 HH TYR 47 HH TYR 47 3.850 -7.961 -3.645 883 H LEU 48 H LEU 48 7.534 -8.059 3.869 884 HA LEU 48 HA LEU 48 9.309 -9.320 2.076 885 HB2 LEU 48 2HB LEU 48 9.833 -8.226 4.838 886 HB3 LEU 48 1HB LEU 48 11.066 -8.644 3.667 887 HG LEU 48 HG LEU 48 9.026 -6.436 3.382 888 HD11 LEU 48 1HD1 LEU 48 10.796 -5.961 5.009 889 HD12 LEU 48 2HD1 LEU 48 10.933 -4.946 3.574 890 HD13 LEU 48 3HD1 LEU 48 12.011 -6.327 3.784 891 HD21 LEU 48 3HD2 LEU 48 11.274 -7.264 1.552 892 HD22 LEU 48 1HD2 LEU 48 10.265 -5.833 1.358 893 HD23 LEU 48 2HD2 LEU 48 9.551 -7.441 1.224 894 H ASP 49 H ASP 49 8.341 -10.084 5.386 895 HA ASP 49 HA ASP 49 10.051 -12.285 5.737 896 HB2 ASP 49 2HB ASP 49 8.949 -11.095 7.573 897 HB3 ASP 49 1HB ASP 49 7.389 -11.717 7.047 898 H ASN 50 H ASN 50 6.790 -12.070 4.409 899 HA ASN 50 HA ASN 50 6.366 -14.914 4.500 900 HB2 ASN 50 2HB ASN 50 4.808 -12.621 3.338 901 HB3 ASN 50 1HB ASN 50 4.333 -14.289 3.042 902 HD21 ASN 50 1HD2 ASN 50 5.781 -13.253 6.048 903 HD22 ASN 50 2HD2 ASN 50 4.355 -13.413 7.017 904 H HIS 51 H HIS 51 7.391 -12.623 2.041 905 HA HIS 51 HA HIS 51 7.352 -14.701 -0.005 906 HB2 HIS 51 2HB HIS 51 8.139 -11.781 -0.091 907 HB3 HIS 51 1HB HIS 51 8.327 -12.867 -1.462 908 HD1 HIS 51 1HD HIS 51 6.516 -12.489 -3.094 909 HD2 HIS 51 2HD HIS 51 5.155 -12.082 0.823 910 HE1 HIS 51 1HE HIS 51 4.065 -11.948 -3.273 911 HE2 HIS 51 2HE HIS 51 3.250 -11.697 -0.899 912 H ASP 52 H ASP 52 9.723 -12.536 1.491 913 HA ASP 52 HA ASP 52 11.890 -12.719 2.017 914 HB2 ASP 52 2HB ASP 52 11.100 -14.204 3.626 915 HB3 ASP 52 1HB ASP 52 10.918 -15.517 2.467 916 H LYS 53 H LYS 53 13.077 -12.198 0.324 917 HA LYS 53 HA LYS 53 14.252 -14.444 -1.170 918 HB2 LYS 53 2HB LYS 53 14.033 -11.552 -2.037 919 HB3 LYS 53 1HB LYS 53 14.778 -12.846 -2.963 920 HG2 LYS 53 2HG LYS 53 12.649 -13.952 -3.214 921 HG3 LYS 53 1HG LYS 53 11.874 -12.751 -2.176 922 HD2 LYS 53 2HD LYS 53 11.393 -12.176 -4.447 923 HD3 LYS 53 1HD LYS 53 12.549 -10.999 -3.822 924 HE2 LYS 53 2HE LYS 53 13.229 -11.604 -6.032 925 HE3 LYS 53 1HE LYS 53 14.370 -12.320 -4.898 926 HZ1 LYS 53 3HZ LYS 53 13.661 -13.823 -6.718 927 HZ2 LYS 53 1HZ LYS 53 12.082 -13.787 -6.096 928 HZ3 LYS 53 2HZ LYS 53 13.349 -14.442 -5.172 929 H GLN 54 H GLN 54 14.715 -11.999 1.114 930 HA GLN 54 HA GLN 54 17.566 -12.387 1.223 931 HB2 GLN 54 2HB GLN 54 18.117 -10.001 0.924 932 HB3 GLN 54 1HB GLN 54 17.432 -10.704 -0.536 933 HG2 GLN 54 2HG GLN 54 15.239 -9.726 0.074 934 HG3 GLN 54 1HG GLN 54 16.012 -8.939 1.449 935 HE21 GLN 54 1HE2 GLN 54 15.571 -6.880 0.723 936 HE22 GLN 54 2HE2 GLN 54 16.364 -6.178 -0.644 937 H LYS 55 H LYS 55 18.463 -11.660 3.185 938 HA LYS 55 HA LYS 55 16.527 -10.738 5.199 939 HB2 LYS 55 2HB LYS 55 19.099 -12.273 5.356 940 HB3 LYS 55 1HB LYS 55 18.568 -11.342 6.746 941 HG2 LYS 55 2HG LYS 55 17.895 -13.635 6.985 942 HG3 LYS 55 1HG LYS 55 16.468 -12.620 6.778 943 HD2 LYS 55 2HD LYS 55 16.279 -13.292 4.469 944 HD3 LYS 55 1HD LYS 55 17.784 -14.206 4.580 945 HE2 LYS 55 2HE LYS 55 16.787 -15.727 6.179 946 HE3 LYS 55 1HE LYS 55 15.302 -14.778 6.198 947 HZ1 LYS 55 3HZ LYS 55 16.380 -16.118 3.779 948 HZ2 LYS 55 1HZ LYS 55 14.871 -15.360 3.938 949 HZ3 LYS 55 2HZ LYS 55 15.199 -16.794 4.788 950 H LYS 56 H LYS 56 18.845 -9.611 3.161 951 HA LYS 56 HA LYS 56 19.791 -7.512 4.963 952 HB2 LYS 56 2HB LYS 56 21.442 -7.075 3.078 953 HB3 LYS 56 1HB LYS 56 21.631 -8.594 3.942 954 HG2 LYS 56 2HG LYS 56 20.388 -9.725 2.115 955 HG3 LYS 56 1HG LYS 56 20.379 -8.198 1.232 956 HD2 LYS 56 2HD LYS 56 22.827 -8.189 1.235 957 HD3 LYS 56 1HD LYS 56 22.829 -9.719 2.118 958 HE2 LYS 56 2HE LYS 56 21.624 -10.770 0.241 959 HE3 LYS 56 1HE LYS 56 21.696 -9.244 -0.639 960 HZ1 LYS 56 3HZ LYS 56 24.016 -10.890 0.220 961 HZ2 LYS 56 1HZ LYS 56 24.124 -9.383 -0.558 962 HZ3 LYS 56 2HZ LYS 56 23.439 -10.710 -1.367 Start of MODEL 14 1 H1 GLY 2 1HT GLY 2 -13.829 7.232 -10.498 2 H2 GLY 2 2HT GLY 2 -13.918 7.336 -8.808 3 H3 GLY 2 3HT GLY 2 -14.139 8.725 -9.754 4 HA2 GLY 2 1HA GLY 2 -16.153 7.776 -10.707 5 HA3 GLY 2 2HA GLY 2 -15.936 6.367 -9.677 6 H ARG 3 H ARG 3 -17.955 6.747 -8.665 7 HA ARG 3 HA ARG 3 -17.767 8.514 -6.412 8 HB2 ARG 3 2HB ARG 3 -18.501 10.110 -8.112 9 HB3 ARG 3 1HB ARG 3 -19.855 9.069 -8.526 10 HG2 ARG 3 2HG ARG 3 -20.841 9.416 -6.351 11 HG3 ARG 3 1HG ARG 3 -19.444 10.368 -5.842 12 HD2 ARG 3 2HD ARG 3 -21.355 11.777 -6.489 13 HD3 ARG 3 1HD ARG 3 -19.939 12.049 -7.504 14 HE ARG 3 HE ARG 3 -21.589 10.122 -8.726 15 HH11 ARG 3 1HH1 ARG 3 -21.671 13.538 -7.906 16 HH12 ARG 3 2HH1 ARG 3 -22.568 13.981 -9.326 17 HH21 ARG 3 1HH2 ARG 3 -22.796 10.715 -10.579 18 HH22 ARG 3 2HH2 ARG 3 -23.219 12.383 -10.834 19 HA PRO 4 HA PRO 4 -20.372 4.775 -5.540 20 HB2 PRO 4 2HB PRO 4 -18.826 4.914 -3.034 21 HB3 PRO 4 1HB PRO 4 -19.108 3.537 -4.102 22 HG2 PRO 4 2HG PRO 4 -16.706 4.731 -3.933 23 HG3 PRO 4 1HG PRO 4 -17.309 4.044 -5.453 24 HD2 PRO 4 2HD PRO 4 -17.208 6.902 -4.570 25 HD3 PRO 4 1HD PRO 4 -16.887 6.204 -6.171 26 H TYR 5 H TYR 5 -19.183 7.158 -3.180 27 HA TYR 5 HA TYR 5 -21.916 8.066 -2.689 28 HB2 TYR 5 2HB TYR 5 -20.025 7.208 -0.483 29 HB3 TYR 5 1HB TYR 5 -21.522 8.091 -0.225 30 HD1 TYR 5 1HD TYR 5 -23.639 6.865 -1.408 31 HD2 TYR 5 2HD TYR 5 -20.078 4.959 -0.072 32 HE1 TYR 5 1HE TYR 5 -24.856 4.741 -1.204 33 HE2 TYR 5 2HE TYR 5 -21.286 2.834 0.137 34 HH TYR 5 HH TYR 5 -23.885 2.228 0.529 35 H LYS 6 H LYS 6 -18.813 8.573 -1.046 36 HA LYS 6 HA LYS 6 -19.166 11.445 -1.215 37 HB2 LYS 6 2HB LYS 6 -17.045 11.468 0.137 38 HB3 LYS 6 1HB LYS 6 -18.391 10.613 0.878 39 HG2 LYS 6 2HG LYS 6 -17.449 8.509 0.424 40 HG3 LYS 6 1HG LYS 6 -16.290 9.190 -0.719 41 HD2 LYS 6 2HD LYS 6 -16.176 10.212 2.057 42 HD3 LYS 6 1HD LYS 6 -15.662 8.543 1.811 43 HE2 LYS 6 2HE LYS 6 -13.782 10.106 1.668 44 HE3 LYS 6 1HE LYS 6 -14.046 9.262 0.146 45 HZ1 LYS 6 3HZ LYS 6 -13.600 11.606 -0.203 46 HZ2 LYS 6 1HZ LYS 6 -14.928 12.034 0.763 47 HZ3 LYS 6 2HZ LYS 6 -15.170 11.223 -0.706 48 H LEU 7 H LEU 7 -18.899 10.509 -3.689 49 HA LEU 7 HA LEU 7 -17.820 10.696 -5.661 50 HB2 LEU 7 2HB LEU 7 -17.559 13.037 -4.938 51 HB3 LEU 7 1HB LEU 7 -16.040 12.625 -4.165 52 HG LEU 7 HG LEU 7 -15.144 11.974 -6.408 53 HD11 LEU 7 1HD1 LEU 7 -17.702 13.221 -7.405 54 HD12 LEU 7 2HD1 LEU 7 -17.263 11.517 -7.517 55 HD13 LEU 7 3HD1 LEU 7 -16.336 12.726 -8.403 56 HD21 LEU 7 3HD2 LEU 7 -14.651 14.155 -5.443 57 HD22 LEU 7 1HD2 LEU 7 -16.128 14.812 -6.150 58 HD23 LEU 7 2HD2 LEU 7 -14.818 14.263 -7.194 59 H LEU 8 H LEU 8 -14.809 11.349 -4.018 60 HA LEU 8 HA LEU 8 -13.711 8.977 -5.290 61 HB2 LEU 8 2HB LEU 8 -12.354 11.257 -3.852 62 HB3 LEU 8 1HB LEU 8 -11.525 9.945 -4.667 63 HG LEU 8 HG LEU 8 -13.281 12.015 -5.989 64 HD11 LEU 8 1HD1 LEU 8 -11.194 12.787 -6.999 65 HD12 LEU 8 2HD1 LEU 8 -10.295 11.602 -6.050 66 HD13 LEU 8 3HD1 LEU 8 -11.149 12.917 -5.242 67 HD21 LEU 8 3HD2 LEU 8 -13.440 9.879 -7.129 68 HD22 LEU 8 1HD2 LEU 8 -11.682 9.747 -7.169 69 HD23 LEU 8 2HD2 LEU 8 -12.492 11.015 -8.089 70 H ASN 9 H ASN 9 -13.832 7.166 -4.160 71 HA ASN 9 HA ASN 9 -13.643 7.185 -1.276 72 HB2 ASN 9 2HB ASN 9 -13.870 4.721 -1.457 73 HB3 ASN 9 1HB ASN 9 -15.171 5.584 -2.264 74 HD21 ASN 9 1HD2 ASN 9 -13.939 2.869 -2.572 75 HD22 ASN 9 2HD2 ASN 9 -13.608 2.737 -4.267 76 H GLY 10 H GLY 10 -11.531 8.336 -1.681 77 HA2 GLY 10 2HA GLY 10 -9.386 6.464 -1.202 78 HA3 GLY 10 1HA GLY 10 -9.227 7.381 -2.696 79 H ILE 11 H ILE 11 -7.957 7.330 0.144 80 HA ILE 11 HA ILE 11 -8.077 10.237 0.597 81 HB ILE 11 HB ILE 11 -8.161 8.142 2.791 82 HG12 ILE 11 2HG1 ILE 11 -10.367 9.472 3.290 83 HG13 ILE 11 1HG1 ILE 11 -10.250 9.925 1.592 84 HG21 ILE 11 1HG2 ILE 11 -6.866 10.073 3.472 85 HG22 ILE 11 2HG2 ILE 11 -8.409 10.045 4.325 86 HG23 ILE 11 3HG2 ILE 11 -8.168 11.152 2.974 87 HD11 ILE 11 3HD1 ILE 11 -10.270 7.564 0.965 88 HD12 ILE 11 1HD1 ILE 11 -11.710 8.008 1.885 89 HD13 ILE 11 2HD1 ILE 11 -10.404 7.116 2.667 90 H LYS 12 H LYS 12 -6.175 11.137 1.527 91 HA LYS 12 HA LYS 12 -3.828 9.523 0.840 92 HB2 LYS 12 2HB LYS 12 -4.126 11.630 -0.382 93 HB3 LYS 12 1HB LYS 12 -4.147 12.517 1.131 94 HG2 LYS 12 2HG LYS 12 -1.766 10.850 0.509 95 HG3 LYS 12 1HG LYS 12 -1.990 12.366 -0.364 96 HD2 LYS 12 2HD LYS 12 -1.870 12.032 2.633 97 HD3 LYS 12 1HD LYS 12 -0.604 12.709 1.608 98 HE2 LYS 12 2HE LYS 12 -3.377 13.847 1.927 99 HE3 LYS 12 1HE LYS 12 -1.942 14.434 2.763 100 HZ1 LYS 12 3HZ LYS 12 -0.988 15.126 0.721 101 HZ2 LYS 12 1HZ LYS 12 -2.581 15.707 0.729 102 HZ3 LYS 12 2HZ LYS 12 -2.179 14.344 -0.199 103 H LEU 13 H LEU 13 -2.436 8.918 2.296 104 HA LEU 13 HA LEU 13 -2.692 9.983 5.023 105 HB2 LEU 13 2HB LEU 13 -1.904 7.571 5.634 106 HB3 LEU 13 1HB LEU 13 -3.594 7.882 5.293 107 HG LEU 13 HG LEU 13 -1.810 6.943 3.077 108 HD11 LEU 13 1HD1 LEU 13 -1.358 5.406 4.915 109 HD12 LEU 13 2HD1 LEU 13 -2.328 4.623 3.667 110 HD13 LEU 13 3HD1 LEU 13 -3.089 5.174 5.159 111 HD21 LEU 13 3HD2 LEU 13 -4.063 7.637 2.493 112 HD22 LEU 13 1HD2 LEU 13 -4.736 6.585 3.745 113 HD23 LEU 13 2HD2 LEU 13 -3.930 5.881 2.344 114 H GLY 14 H GLY 14 -0.817 10.053 6.273 115 HA2 GLY 14 2HA GLY 14 1.640 10.179 4.668 116 HA3 GLY 14 1HA GLY 14 1.352 11.023 6.186 117 H VAL 15 H VAL 15 2.824 8.419 4.747 118 HA VAL 15 HA VAL 15 2.874 6.830 7.227 119 HB VAL 15 HB VAL 15 3.843 6.025 4.476 120 HG11 VAL 15 1HG1 VAL 15 4.900 4.760 6.246 121 HG12 VAL 15 2HG1 VAL 15 3.746 3.739 5.387 122 HG13 VAL 15 3HG1 VAL 15 3.330 4.405 6.965 123 HG21 VAL 15 3HG2 VAL 15 1.226 5.377 5.821 124 HG22 VAL 15 1HG2 VAL 15 1.790 4.716 4.287 125 HG23 VAL 15 2HG2 VAL 15 1.443 6.440 4.431 126 H TYR 16 H TYR 16 4.776 6.405 8.268 127 HA TYR 16 HA TYR 16 7.200 7.716 7.231 128 HB2 TYR 16 2HB TYR 16 5.837 8.070 9.729 129 HB3 TYR 16 1HB TYR 16 7.413 7.347 10.036 130 HD1 TYR 16 2HD TYR 16 8.983 8.588 7.851 131 HD2 TYR 16 1HD TYR 16 6.115 10.271 10.496 132 HE1 TYR 16 2HE TYR 16 10.049 10.772 7.588 133 HE2 TYR 16 1HE TYR 16 7.177 12.475 10.253 134 HH TYR 16 HH TYR 16 9.372 13.394 9.664 135 H ILE 17 H ILE 17 8.786 6.314 6.752 136 HA ILE 17 HA ILE 17 9.118 3.979 8.479 137 HB ILE 17 HB ILE 17 9.399 2.412 6.698 138 HG12 ILE 17 2HG1 ILE 17 8.773 4.659 4.770 139 HG13 ILE 17 1HG1 ILE 17 10.341 3.878 4.968 140 HG21 ILE 17 1HG2 ILE 17 7.130 2.320 5.787 141 HG22 ILE 17 2HG2 ILE 17 6.859 3.979 6.325 142 HG23 ILE 17 3HG2 ILE 17 7.146 2.702 7.508 143 HD11 ILE 17 3HD1 ILE 17 7.806 2.671 3.897 144 HD12 ILE 17 1HD1 ILE 17 9.221 1.713 4.341 145 HD13 ILE 17 2HD1 ILE 17 9.336 2.918 3.052 146 HA PRO 18 HA PRO 18 13.321 4.989 8.645 147 HB2 PRO 18 2HB PRO 18 13.948 2.108 8.276 148 HB3 PRO 18 1HB PRO 18 14.360 3.194 9.608 149 HG2 PRO 18 2HG PRO 18 12.461 1.355 9.901 150 HG3 PRO 18 1HG PRO 18 12.275 2.974 10.605 151 HD2 PRO 18 2HD PRO 18 11.056 1.836 8.117 152 HD3 PRO 18 1HD PRO 18 10.320 2.868 9.365 153 H GLN 19 H GLN 19 15.334 5.034 7.600 154 HA GLN 19 HA GLN 19 15.189 5.338 4.806 155 HB2 GLN 19 2HB GLN 19 17.603 5.771 4.907 156 HB3 GLN 19 1HB GLN 19 16.738 6.645 6.162 157 HG2 GLN 19 2HG GLN 19 17.429 5.001 7.809 158 HG3 GLN 19 1HG GLN 19 18.245 4.073 6.550 159 HE21 GLN 19 1HE2 GLN 19 20.203 4.770 5.766 160 HE22 GLN 19 2HE2 GLN 19 21.112 6.045 6.500 161 H GLU 20 H GLU 20 16.275 2.685 6.814 162 HA GLU 20 HA GLU 20 17.598 1.084 4.956 163 HB2 GLU 20 2HB GLU 20 15.682 0.133 7.100 164 HB3 GLU 20 1HB GLU 20 16.985 -0.796 6.372 165 HG2 GLU 20 2HG GLU 20 18.638 0.511 7.438 166 HG3 GLU 20 1HG GLU 20 17.457 1.720 7.941 167 H TRP 21 H TRP 21 14.222 1.646 5.549 168 HA TRP 21 HA TRP 21 13.253 -0.423 3.819 169 HB2 TRP 21 2HB TRP 21 11.958 1.942 5.168 170 HB3 TRP 21 1HB TRP 21 11.072 0.837 4.126 171 HD1 TRP 21 HD TRP 21 13.608 -0.397 6.779 172 HE1 TRP 21 1HE TRP 21 12.272 -1.729 8.545 173 HE3 TRP 21 3HE TRP 21 8.927 0.535 5.048 174 HZ2 TRP 21 2HZ TRP 21 9.522 -2.291 9.102 175 HZ3 TRP 21 3HZ TRP 21 7.000 -0.409 6.223 176 HH2 TRP 21 HH TRP 21 7.284 -1.779 8.193 177 H HIS 22 H HIS 22 13.331 3.124 3.748 178 HA HIS 22 HA HIS 22 12.088 3.495 1.302 179 HB2 HIS 22 2HB HIS 22 12.765 5.259 3.016 180 HB3 HIS 22 1HB HIS 22 14.361 5.226 2.268 181 HD1 HIS 22 1HD HIS 22 14.631 6.381 -0.002 182 HD2 HIS 22 2HD HIS 22 10.723 6.387 1.425 183 HE1 HIS 22 1HE HIS 22 13.373 7.995 -1.466 184 HE2 HIS 22 2HE HIS 22 11.069 8.138 -0.450 185 H ASP 23 H ASP 23 15.539 3.011 1.983 186 HA ASP 23 HA ASP 23 16.433 3.330 -0.668 187 HB2 ASP 23 2HB ASP 23 17.944 3.431 1.244 188 HB3 ASP 23 1HB ASP 23 17.660 1.723 1.575 189 H ARG 24 H ARG 24 15.632 0.345 1.136 190 HA ARG 24 HA ARG 24 16.344 -1.342 -1.079 191 HB2 ARG 24 2HB ARG 24 15.051 -1.807 1.588 192 HB3 ARG 24 1HB ARG 24 15.035 -3.078 0.379 193 HG2 ARG 24 2HG ARG 24 16.856 -3.334 1.996 194 HG3 ARG 24 1HG ARG 24 17.447 -3.139 0.346 195 HD2 ARG 24 2HD ARG 24 18.260 -1.017 0.752 196 HD3 ARG 24 1HD ARG 24 17.191 -0.754 2.129 197 HE ARG 24 HE ARG 24 18.809 -2.789 2.934 198 HH11 ARG 24 1HH1 ARG 24 19.517 0.366 1.567 199 HH12 ARG 24 2HH1 ARG 24 20.904 0.616 2.590 200 HH21 ARG 24 1HH2 ARG 24 20.621 -2.433 4.261 201 HH22 ARG 24 2HH2 ARG 24 21.532 -0.961 4.092 202 H LEU 25 H LEU 25 13.360 -0.021 0.182 203 HA LEU 25 HA LEU 25 11.594 -1.547 -1.405 204 HB2 LEU 25 2HB LEU 25 11.401 0.872 0.280 205 HB3 LEU 25 1HB LEU 25 10.190 0.726 -0.977 206 HG LEU 25 HG LEU 25 9.353 -0.165 1.124 207 HD11 LEU 25 1HD1 LEU 25 8.667 -2.378 0.359 208 HD12 LEU 25 2HD1 LEU 25 9.925 -2.344 -0.877 209 HD13 LEU 25 3HD1 LEU 25 8.590 -1.194 -0.947 210 HD21 LEU 25 3HD2 LEU 25 11.442 -0.798 2.179 211 HD22 LEU 25 1HD2 LEU 25 11.687 -2.069 0.981 212 HD23 LEU 25 2HD2 LEU 25 10.348 -2.182 2.123 213 H MET 26 H MET 26 12.964 1.723 -1.853 214 HA MET 26 HA MET 26 11.658 2.202 -4.301 215 HB2 MET 26 2HB MET 26 14.181 3.383 -3.153 216 HB3 MET 26 1HB MET 26 13.433 3.949 -4.640 217 HG2 MET 26 2HG MET 26 12.109 3.908 -1.941 218 HG3 MET 26 1HG MET 26 12.847 5.320 -2.693 219 HE1 MET 26 3HE MET 26 10.523 5.850 -5.822 220 HE2 MET 26 1HE MET 26 12.004 4.895 -5.761 221 HE3 MET 26 2HE MET 26 11.924 6.451 -4.935 222 H GLU 27 H GLU 27 14.580 0.452 -3.541 223 HA GLU 27 HA GLU 27 15.645 0.287 -6.144 224 HB2 GLU 27 2HB GLU 27 16.861 -0.438 -4.120 225 HB3 GLU 27 1HB GLU 27 15.726 -1.764 -3.917 226 HG2 GLU 27 2HG GLU 27 17.705 -2.645 -4.869 227 HG3 GLU 27 1HG GLU 27 16.470 -2.641 -6.126 228 H ILE 28 H ILE 28 13.510 -1.949 -4.388 229 HA ILE 28 HA ILE 28 12.956 -3.620 -6.614 230 HB ILE 28 HB ILE 28 11.238 -3.170 -4.163 231 HG12 ILE 28 2HG1 ILE 28 13.417 -5.221 -4.633 232 HG13 ILE 28 1HG1 ILE 28 13.582 -3.792 -3.617 233 HG21 ILE 28 1HG2 ILE 28 10.066 -4.329 -5.961 234 HG22 ILE 28 2HG2 ILE 28 10.398 -5.426 -4.621 235 HG23 ILE 28 3HG2 ILE 28 11.383 -5.496 -6.082 236 HD11 ILE 28 3HD1 ILE 28 11.825 -4.641 -2.150 237 HD12 ILE 28 1HD1 ILE 28 13.171 -5.772 -2.285 238 HD13 ILE 28 2HD1 ILE 28 11.673 -6.075 -3.167 239 H ALA 29 H ALA 29 11.554 -0.680 -5.388 240 HA ALA 29 HA ALA 29 9.091 -0.718 -6.728 241 HB1 ALA 29 1HB ALA 29 10.721 1.680 -5.902 242 HB2 ALA 29 2HB ALA 29 9.613 0.786 -4.859 243 HB3 ALA 29 3HB ALA 29 8.995 1.659 -6.262 244 H LYS 30 H LYS 30 12.287 0.378 -7.758 245 HA LYS 30 HA LYS 30 11.254 1.520 -10.179 246 HB2 LYS 30 2HB LYS 30 14.055 0.924 -9.236 247 HB3 LYS 30 1HB LYS 30 13.715 1.574 -10.838 248 HG2 LYS 30 2HG LYS 30 13.070 2.869 -8.195 249 HG3 LYS 30 1HG LYS 30 14.327 3.361 -9.335 250 HD2 LYS 30 2HD LYS 30 12.558 3.791 -11.023 251 HD3 LYS 30 1HD LYS 30 11.344 3.410 -9.801 252 HE2 LYS 30 2HE LYS 30 11.576 5.792 -9.942 253 HE3 LYS 30 1HE LYS 30 12.251 5.249 -8.406 254 HZ1 LYS 30 3HZ LYS 30 14.452 5.454 -9.284 255 HZ2 LYS 30 1HZ LYS 30 13.632 6.912 -9.567 256 HZ3 LYS 30 2HZ LYS 30 13.864 5.812 -10.837 257 H GLU 31 H GLU 31 12.634 -1.520 -9.179 258 HA GLU 31 HA GLU 31 12.973 -2.673 -11.719 259 HB2 GLU 31 2HB GLU 31 13.541 -3.485 -9.227 260 HB3 GLU 31 1HB GLU 31 12.051 -4.383 -9.463 261 HG2 GLU 31 2HG GLU 31 14.418 -4.515 -11.316 262 HG3 GLU 31 1HG GLU 31 14.123 -5.645 -9.999 263 H LYS 32 H LYS 32 10.189 -2.749 -9.480 264 HA LYS 32 HA LYS 32 8.586 -4.186 -11.404 265 HB2 LYS 32 2HB LYS 32 7.858 -3.069 -8.699 266 HB3 LYS 32 1HB LYS 32 6.879 -4.188 -9.642 267 HG2 LYS 32 2HG LYS 32 9.429 -4.674 -8.159 268 HG3 LYS 32 1HG LYS 32 7.901 -5.557 -8.083 269 HD2 LYS 32 2HD LYS 32 8.310 -6.329 -10.414 270 HD3 LYS 32 1HD LYS 32 9.893 -5.546 -10.336 271 HE2 LYS 32 2HE LYS 32 10.491 -6.984 -8.434 272 HE3 LYS 32 1HE LYS 32 8.921 -7.779 -8.549 273 HZ1 LYS 32 3HZ LYS 32 11.041 -7.770 -10.631 274 HZ2 LYS 32 1HZ LYS 32 9.515 -8.491 -10.800 275 HZ3 LYS 32 2HZ LYS 32 10.609 -9.085 -9.650 276 H ASN 33 H ASN 33 9.291 -0.966 -10.962 277 HA ASN 33 HA ASN 33 8.453 0.973 -11.798 278 HB2 ASN 33 2HB ASN 33 6.740 -0.960 -13.355 279 HB3 ASN 33 1HB ASN 33 6.539 0.779 -13.511 280 HD21 ASN 33 1HD2 ASN 33 9.638 -0.773 -13.006 281 HD22 ASN 33 2HD2 ASN 33 10.275 -0.426 -14.572 282 H LEU 34 H LEU 34 7.698 0.351 -9.326 283 HA LEU 34 HA LEU 34 4.903 1.259 -9.139 284 HB2 LEU 34 2HB LEU 34 6.284 -0.798 -7.402 285 HB3 LEU 34 1HB LEU 34 4.688 -0.138 -7.096 286 HG LEU 34 HG LEU 34 5.428 -1.762 -9.533 287 HD11 LEU 34 1HD1 LEU 34 4.152 -3.562 -8.478 288 HD12 LEU 34 2HD1 LEU 34 3.932 -2.565 -7.038 289 HD13 LEU 34 3HD1 LEU 34 5.547 -3.106 -7.498 290 HD21 LEU 34 3HD2 LEU 34 2.760 -0.834 -8.475 291 HD22 LEU 34 1HD2 LEU 34 3.011 -1.867 -9.882 292 HD23 LEU 34 2HD2 LEU 34 3.584 -0.199 -9.898 293 H THR 35 H THR 35 4.477 2.291 -6.971 294 HA THR 35 HA THR 35 6.883 3.688 -6.023 295 HB THR 35 HB THR 35 5.331 5.318 -5.001 296 HG1 THR 35 1HG THR 35 3.256 3.926 -6.397 297 HG21 THR 35 3HG2 THR 35 4.840 4.844 -7.945 298 HG22 THR 35 1HG2 THR 35 6.175 5.760 -7.242 299 HG23 THR 35 2HG2 THR 35 4.521 6.347 -7.080 300 H LEU 36 H LEU 36 7.185 3.928 -3.714 301 HA LEU 36 HA LEU 36 6.612 1.684 -2.133 302 HB2 LEU 36 2HB LEU 36 7.483 2.903 -0.268 303 HB3 LEU 36 1HB LEU 36 8.455 3.266 -1.676 304 HG LEU 36 HG LEU 36 6.348 5.100 -0.513 305 HD11 LEU 36 1HD1 LEU 36 9.355 5.171 -0.318 306 HD12 LEU 36 2HD1 LEU 36 8.230 4.827 0.996 307 HD13 LEU 36 3HD1 LEU 36 8.261 6.427 0.254 308 HD21 LEU 36 3HD2 LEU 36 7.412 6.801 -1.958 309 HD22 LEU 36 1HD2 LEU 36 6.642 5.508 -2.879 310 HD23 LEU 36 2HD2 LEU 36 8.396 5.532 -2.689 311 H SER 37 H SER 37 4.818 4.618 -2.690 312 HA SER 37 HA SER 37 2.806 4.284 -0.782 313 HB2 SER 37 2HB SER 37 2.459 5.290 -3.618 314 HB3 SER 37 1HB SER 37 1.456 5.684 -2.220 315 HG SER 37 HG SER 37 2.792 7.255 -1.853 316 H ASP 38 H ASP 38 3.074 3.006 -4.096 317 HA ASP 38 HA ASP 38 0.674 1.526 -4.061 318 HB2 ASP 38 2HB ASP 38 3.198 1.228 -5.691 319 HB3 ASP 38 1HB ASP 38 1.818 0.158 -5.898 320 H VAL 39 H VAL 39 4.027 0.606 -3.350 321 HA VAL 39 HA VAL 39 3.495 -2.128 -2.910 322 HB VAL 39 HB VAL 39 5.737 -0.463 -1.745 323 HG11 VAL 39 1HG1 VAL 39 5.468 -2.626 -0.622 324 HG12 VAL 39 2HG1 VAL 39 6.956 -2.563 -1.567 325 HG13 VAL 39 3HG1 VAL 39 5.558 -3.442 -2.184 326 HG21 VAL 39 3HG2 VAL 39 5.613 -2.041 -4.310 327 HG22 VAL 39 1HG2 VAL 39 7.050 -1.254 -3.658 328 HG23 VAL 39 2HG2 VAL 39 5.668 -0.284 -4.168 329 H CYS 40 H CYS 40 3.176 0.671 -0.853 330 HA CYS 40 HA CYS 40 3.107 -0.731 1.619 331 HB2 CYS 40 2HB CYS 40 3.470 1.817 1.070 332 HB3 CYS 40 1HB CYS 40 1.713 1.914 1.195 333 HG CYS 40 HG CYS 40 3.785 2.331 3.538 334 H ARG 41 H ARG 41 0.453 0.637 -0.385 335 HA ARG 41 HA ARG 41 -1.572 -0.618 1.110 336 HB2 ARG 41 2HB ARG 41 -3.020 -0.125 -0.889 337 HB3 ARG 41 1HB ARG 41 -2.207 1.256 -0.174 338 HG2 ARG 41 2HG ARG 41 -1.865 1.697 -2.368 339 HG3 ARG 41 1HG ARG 41 -0.420 0.741 -2.035 340 HD2 ARG 41 2HD ARG 41 -1.458 -1.230 -2.960 341 HD3 ARG 41 1HD ARG 41 -2.984 -0.363 -3.174 342 HE ARG 41 HE ARG 41 -0.771 0.869 -4.523 343 HH11 ARG 41 1HH1 ARG 41 -3.287 -1.561 -4.813 344 HH12 ARG 41 2HH1 ARG 41 -3.273 -1.528 -6.549 345 HH21 ARG 41 1HH2 ARG 41 -0.771 0.913 -6.801 346 HH22 ARG 41 2HH2 ARG 41 -1.834 -0.161 -7.678 347 H LEU 42 H LEU 42 0.382 -1.706 -1.605 348 HA LEU 42 HA LEU 42 -1.103 -4.102 -2.054 349 HB2 LEU 42 2HB LEU 42 1.753 -3.376 -2.693 350 HB3 LEU 42 1HB LEU 42 1.010 -4.890 -3.170 351 HG LEU 42 HG LEU 42 0.076 -2.151 -4.035 352 HD11 LEU 42 1HD1 LEU 42 2.236 -2.729 -5.011 353 HD12 LEU 42 2HD1 LEU 42 0.959 -2.776 -6.226 354 HD13 LEU 42 3HD1 LEU 42 1.587 -4.278 -5.549 355 HD21 LEU 42 3HD2 LEU 42 -1.340 -3.391 -5.596 356 HD22 LEU 42 1HD2 LEU 42 -1.733 -3.782 -3.922 357 HD23 LEU 42 2HD2 LEU 42 -0.788 -4.911 -4.893 358 H ALA 43 H ALA 43 1.148 -3.073 0.295 359 HA ALA 43 HA ALA 43 2.114 -5.594 1.121 360 HB1 ALA 43 1HB ALA 43 2.884 -4.435 3.113 361 HB2 ALA 43 2HB ALA 43 1.909 -3.031 2.678 362 HB3 ALA 43 3HB ALA 43 3.263 -3.514 1.657 363 H ILE 44 H ILE 44 -0.427 -3.438 2.393 364 HA ILE 44 HA ILE 44 -1.323 -5.344 4.306 365 HB ILE 44 HB ILE 44 -3.481 -3.862 4.222 366 HG12 ILE 44 2HG1 ILE 44 -1.421 -2.084 2.899 367 HG13 ILE 44 1HG1 ILE 44 -2.934 -2.643 2.187 368 HG21 ILE 44 1HG2 ILE 44 -0.828 -2.963 5.314 369 HG22 ILE 44 2HG2 ILE 44 -2.019 -3.992 6.107 370 HG23 ILE 44 3HG2 ILE 44 -2.389 -2.296 5.793 371 HD11 ILE 44 3HD1 ILE 44 -4.187 -1.399 3.881 372 HD12 ILE 44 1HD1 ILE 44 -3.131 -0.347 2.938 373 HD13 ILE 44 2HD1 ILE 44 -2.670 -0.824 4.573 374 H LYS 45 H LYS 45 -1.977 -4.811 0.958 375 HA LYS 45 HA LYS 45 -4.291 -6.313 0.655 376 HB2 LYS 45 2HB LYS 45 -3.648 -5.376 -1.338 377 HB3 LYS 45 1HB LYS 45 -1.941 -5.660 -1.043 378 HG2 LYS 45 2HG LYS 45 -2.578 -6.970 -2.910 379 HG3 LYS 45 1HG LYS 45 -2.331 -8.070 -1.555 380 HD2 LYS 45 2HD LYS 45 -4.757 -8.145 -1.195 381 HD3 LYS 45 1HD LYS 45 -4.985 -7.067 -2.575 382 HE2 LYS 45 2HE LYS 45 -5.354 -9.381 -3.227 383 HE3 LYS 45 1HE LYS 45 -3.936 -8.725 -4.042 384 HZ1 LYS 45 3HZ LYS 45 -3.465 -10.928 -3.242 385 HZ2 LYS 45 1HZ LYS 45 -3.944 -10.518 -1.668 386 HZ3 LYS 45 2HZ LYS 45 -2.549 -9.823 -2.347 387 H GLU 46 H GLU 46 -0.910 -7.383 0.744 388 HA GLU 46 HA GLU 46 -1.527 -10.165 0.618 389 HB2 GLU 46 2HB GLU 46 0.664 -9.085 -0.037 390 HB3 GLU 46 1HB GLU 46 0.988 -8.855 1.675 391 HG2 GLU 46 2HG GLU 46 2.146 -10.798 0.847 392 HG3 GLU 46 1HG GLU 46 0.908 -11.272 2.010 393 H TYR 47 H TYR 47 -0.977 -7.796 3.115 394 HA TYR 47 HA TYR 47 -0.716 -9.478 5.327 395 HB2 TYR 47 2HB TYR 47 -0.189 -7.069 5.326 396 HB3 TYR 47 1HB TYR 47 -1.902 -6.701 5.198 397 HD1 TYR 47 2HD TYR 47 0.726 -8.030 7.403 398 HD2 TYR 47 1HD TYR 47 -3.321 -6.755 7.124 399 HE1 TYR 47 2HE TYR 47 0.575 -7.996 9.854 400 HE2 TYR 47 1HE TYR 47 -3.484 -6.712 9.577 401 HH TYR 47 HH TYR 47 -0.749 -6.960 11.607 402 H LEU 48 H LEU 48 -3.567 -8.046 3.804 403 HA LEU 48 HA LEU 48 -5.462 -8.877 5.710 404 HB2 LEU 48 2HB LEU 48 -5.801 -8.310 2.765 405 HB3 LEU 48 1HB LEU 48 -7.129 -8.558 3.880 406 HG LEU 48 HG LEU 48 -5.141 -6.289 3.943 407 HD11 LEU 48 1HD1 LEU 48 -6.781 -6.096 2.161 408 HD12 LEU 48 2HD1 LEU 48 -7.087 -4.905 3.425 409 HD13 LEU 48 3HD1 LEU 48 -8.087 -6.352 3.318 410 HD21 LEU 48 3HD2 LEU 48 -6.517 -5.393 5.763 411 HD22 LEU 48 1HD2 LEU 48 -5.770 -6.929 6.203 412 HD23 LEU 48 2HD2 LEU 48 -7.475 -6.874 5.761 413 H ASP 49 H ASP 49 -4.458 -10.327 2.630 414 HA ASP 49 HA ASP 49 -6.309 -12.427 2.671 415 HB2 ASP 49 2HB ASP 49 -3.682 -12.052 1.282 416 HB3 ASP 49 1HB ASP 49 -4.588 -13.556 1.113 417 H ASN 50 H ASN 50 -3.078 -12.245 4.089 418 HA ASN 50 HA ASN 50 -3.012 -15.054 4.627 419 HB2 ASN 50 2HB ASN 50 -1.223 -12.778 5.420 420 HB3 ASN 50 1HB ASN 50 -0.978 -14.411 6.041 421 HD21 ASN 50 1HD2 ASN 50 -0.939 -12.374 3.236 422 HD22 ASN 50 2HD2 ASN 50 -0.099 -13.466 2.195 423 H HIS 51 H HIS 51 -4.071 -12.260 6.507 424 HA HIS 51 HA HIS 51 -4.315 -14.048 8.809 425 HB2 HIS 51 2HB HIS 51 -4.582 -12.222 10.221 426 HB3 HIS 51 1HB HIS 51 -3.445 -11.631 9.024 427 HD1 HIS 51 1HD HIS 51 -6.908 -11.137 10.322 428 HD2 HIS 51 2HD HIS 51 -4.407 -9.546 7.401 429 HE1 HIS 51 1HE HIS 51 -7.981 -8.976 9.614 430 HE2 HIS 51 2HE HIS 51 -6.370 -7.959 7.965 431 H ASP 52 H ASP 52 -6.240 -12.395 6.444 432 HA ASP 52 HA ASP 52 -8.428 -12.485 5.853 433 HB2 ASP 52 2HB ASP 52 -7.508 -14.887 5.629 434 HB3 ASP 52 1HB ASP 52 -8.451 -15.239 7.071 435 H LYS 53 H LYS 53 -10.521 -14.063 7.139 436 HA LYS 53 HA LYS 53 -10.927 -12.538 9.608 437 HB2 LYS 53 2HB LYS 53 -12.701 -14.403 8.010 438 HB3 LYS 53 1HB LYS 53 -13.177 -13.701 9.550 439 HG2 LYS 53 2HG LYS 53 -12.305 -11.946 7.296 440 HG3 LYS 53 1HG LYS 53 -13.948 -12.584 7.357 441 HD2 LYS 53 2HD LYS 53 -12.649 -11.035 9.596 442 HD3 LYS 53 1HD LYS 53 -13.693 -10.314 8.368 443 HE2 LYS 53 2HE LYS 53 -15.490 -11.874 9.046 444 HE3 LYS 53 1HE LYS 53 -14.446 -12.475 10.330 445 HZ1 LYS 53 3HZ LYS 53 -16.140 -10.730 10.941 446 HZ2 LYS 53 1HZ LYS 53 -15.182 -9.614 10.105 447 HZ3 LYS 53 2HZ LYS 53 -14.553 -10.433 11.457 448 H GLN 54 H GLN 54 -10.837 -15.839 8.387 449 HA GLN 54 HA GLN 54 -9.349 -16.722 10.688 450 HB2 GLN 54 2HB GLN 54 -10.841 -18.549 11.283 451 HB3 GLN 54 1HB GLN 54 -11.686 -17.018 11.451 452 HG2 GLN 54 2HG GLN 54 -12.981 -17.396 9.531 453 HG3 GLN 54 1HG GLN 54 -11.930 -18.700 8.980 454 HE21 GLN 54 1HE2 GLN 54 -11.715 -19.881 11.630 455 HE22 GLN 54 2HE2 GLN 54 -13.224 -20.678 11.928 456 H LYS 55 H LYS 55 -9.071 -19.308 10.304 457 HA LYS 55 HA LYS 55 -8.778 -19.701 7.403 458 HB2 LYS 55 2HB LYS 55 -6.903 -20.560 9.601 459 HB3 LYS 55 1HB LYS 55 -6.835 -21.213 7.971 460 HG2 LYS 55 2HG LYS 55 -6.639 -18.749 7.234 461 HG3 LYS 55 1HG LYS 55 -6.215 -18.448 8.921 462 HD2 LYS 55 2HD LYS 55 -4.380 -20.030 8.768 463 HD3 LYS 55 1HD LYS 55 -4.828 -20.423 7.108 464 HE2 LYS 55 2HE LYS 55 -3.055 -18.920 6.885 465 HE3 LYS 55 1HE LYS 55 -4.493 -17.935 6.623 466 HZ1 LYS 55 3HZ LYS 55 -2.802 -18.073 9.054 467 HZ2 LYS 55 1HZ LYS 55 -4.328 -17.325 9.036 468 HZ3 LYS 55 2HZ LYS 55 -3.081 -16.734 8.051 469 H LYS 56 H LYS 56 -9.799 -21.387 6.592 470 HA LYS 56 HA LYS 56 -10.972 -23.319 8.460 471 HB2 LYS 56 2HB LYS 56 -11.674 -22.721 5.578 472 HB3 LYS 56 1HB LYS 56 -12.514 -23.861 6.617 473 HG2 LYS 56 2HG LYS 56 -13.185 -22.028 8.087 474 HG3 LYS 56 1HG LYS 56 -12.344 -20.887 7.037 475 HD2 LYS 56 2HD LYS 56 -14.634 -22.663 6.197 476 HD3 LYS 56 1HD LYS 56 -14.770 -20.952 6.609 477 HE2 LYS 56 2HE LYS 56 -13.305 -20.366 4.763 478 HE3 LYS 56 1HE LYS 56 -13.073 -22.071 4.377 479 HZ1 LYS 56 3HZ LYS 56 -14.699 -21.007 2.925 480 HZ2 LYS 56 1HZ LYS 56 -15.672 -20.627 4.263 481 HZ3 LYS 56 2HZ LYS 56 -15.411 -22.248 3.836 482 H1 GLY 2 1HT GLY 2 18.124 11.867 19.579 483 H2 GLY 2 2HT GLY 2 19.048 10.451 19.697 484 H3 GLY 2 3HT GLY 2 17.616 10.598 20.584 485 HA2 GLY 2 1HA GLY 2 17.276 9.170 18.682 486 HA3 GLY 2 2HA GLY 2 16.317 10.638 18.562 487 H ARG 3 H ARG 3 19.688 9.707 17.788 488 HA ARG 3 HA ARG 3 19.183 10.524 15.016 489 HB2 ARG 3 2HB ARG 3 20.218 12.439 16.301 490 HB3 ARG 3 1HB ARG 3 21.640 11.427 16.520 491 HG2 ARG 3 2HG ARG 3 21.457 11.210 13.900 492 HG3 ARG 3 1HG ARG 3 20.606 12.746 14.074 493 HD2 ARG 3 2HD ARG 3 22.908 13.221 13.689 494 HD3 ARG 3 1HD ARG 3 22.556 13.592 15.377 495 HE ARG 3 HE ARG 3 23.455 11.068 15.536 496 HH11 ARG 3 1HH1 ARG 3 24.777 13.941 14.010 497 HH12 ARG 3 2HH1 ARG 3 26.423 13.394 14.127 498 HH21 ARG 3 1HH2 ARG 3 25.612 10.358 15.705 499 HH22 ARG 3 2HH2 ARG 3 26.895 11.350 15.071 500 HA PRO 4 HA PRO 4 21.484 6.473 15.317 501 HB2 PRO 4 2HB PRO 4 19.744 5.930 12.982 502 HB3 PRO 4 1HB PRO 4 20.068 4.931 14.402 503 HG2 PRO 4 2HG PRO 4 17.723 6.162 14.110 504 HG3 PRO 4 1HG PRO 4 18.494 6.031 15.703 505 HD2 PRO 4 2HD PRO 4 18.396 8.372 13.833 506 HD3 PRO 4 1HD PRO 4 18.197 8.332 15.599 507 H TYR 5 H TYR 5 20.445 8.171 12.345 508 HA TYR 5 HA TYR 5 23.212 8.265 11.445 509 HB2 TYR 5 2HB TYR 5 21.027 6.810 9.975 510 HB3 TYR 5 1HB TYR 5 22.399 7.499 9.115 511 HD1 TYR 5 1HD TYR 5 24.699 6.699 9.642 512 HD2 TYR 5 2HD TYR 5 21.231 4.764 11.171 513 HE1 TYR 5 1HE TYR 5 26.045 4.716 10.164 514 HE2 TYR 5 2HE TYR 5 22.571 2.767 11.695 515 HH TYR 5 HH TYR 5 24.649 1.709 11.040 516 H LYS 6 H LYS 6 20.200 8.715 9.626 517 HA LYS 6 HA LYS 6 21.105 11.389 8.920 518 HB2 LYS 6 2HB LYS 6 19.144 11.337 7.358 519 HB3 LYS 6 1HB LYS 6 20.338 10.078 7.082 520 HG2 LYS 6 2HG LYS 6 18.953 8.407 7.934 521 HG3 LYS 6 1HG LYS 6 17.904 9.570 8.751 522 HD2 LYS 6 2HD LYS 6 18.141 9.697 5.781 523 HD3 LYS 6 1HD LYS 6 17.177 8.403 6.491 524 HE2 LYS 6 2HE LYS 6 15.833 10.390 5.901 525 HE3 LYS 6 1HE LYS 6 15.768 10.008 7.620 526 HZ1 LYS 6 3HZ LYS 6 16.015 12.390 7.208 527 HZ2 LYS 6 1HZ LYS 6 17.480 12.113 6.394 528 HZ3 LYS 6 2HZ LYS 6 17.344 11.769 8.051 529 H LEU 7 H LEU 7 20.653 11.656 11.401 530 HA LEU 7 HA LEU 7 19.502 12.615 13.095 531 HB2 LEU 7 2HB LEU 7 19.107 14.411 11.408 532 HB3 LEU 7 1HB LEU 7 17.613 13.614 10.955 533 HG LEU 7 HG LEU 7 16.772 13.960 13.272 534 HD11 LEU 7 1HD1 LEU 7 19.267 15.625 13.589 535 HD12 LEU 7 2HD1 LEU 7 18.940 14.093 14.402 536 HD13 LEU 7 3HD1 LEU 7 17.939 15.504 14.744 537 HD21 LEU 7 3HD2 LEU 7 16.195 15.510 11.478 538 HD22 LEU 7 1HD2 LEU 7 17.642 16.456 11.822 539 HD23 LEU 7 2HD2 LEU 7 16.352 16.352 13.020 540 H LEU 8 H LEU 8 16.507 12.316 11.329 541 HA LEU 8 HA LEU 8 15.715 10.095 13.049 542 HB2 LEU 8 2HB LEU 8 14.149 11.797 11.102 543 HB3 LEU 8 1HB LEU 8 13.468 10.433 11.968 544 HG LEU 8 HG LEU 8 14.593 12.921 13.260 545 HD11 LEU 8 1HD1 LEU 8 12.265 13.428 13.802 546 HD12 LEU 8 2HD1 LEU 8 11.741 12.020 12.877 547 HD13 LEU 8 3HD1 LEU 8 12.524 13.373 12.059 548 HD21 LEU 8 3HD2 LEU 8 13.649 12.027 15.314 549 HD22 LEU 8 1HD2 LEU 8 14.828 10.904 14.638 550 HD23 LEU 8 2HD2 LEU 8 13.103 10.586 14.456 551 H ASN 9 H ASN 9 15.910 8.065 12.340 552 HA ASN 9 HA ASN 9 16.803 7.640 9.623 553 HB2 ASN 9 2HB ASN 9 17.165 5.295 10.335 554 HB3 ASN 9 1HB ASN 9 17.967 6.450 11.387 555 HD21 ASN 9 1HD2 ASN 9 17.137 3.681 11.863 556 HD22 ASN 9 2HD2 ASN 9 16.123 3.733 13.266 557 H GLY 10 H GLY 10 14.460 8.547 9.212 558 HA2 GLY 10 2HA GLY 10 12.961 6.307 8.169 559 HA3 GLY 10 1HA GLY 10 12.128 7.222 9.422 560 H ILE 11 H ILE 11 11.483 6.890 6.594 561 HA ILE 11 HA ILE 11 11.691 9.692 5.692 562 HB ILE 11 HB ILE 11 11.635 7.187 3.984 563 HG12 ILE 11 2HG1 ILE 11 13.825 8.237 3.127 564 HG13 ILE 11 1HG1 ILE 11 13.776 9.221 4.583 565 HG21 ILE 11 1HG2 ILE 11 11.696 10.067 3.097 566 HG22 ILE 11 2HG2 ILE 11 10.324 8.968 2.950 567 HG23 ILE 11 3HG2 ILE 11 11.806 8.653 2.046 568 HD11 ILE 11 3HD1 ILE 11 13.880 6.211 4.489 569 HD12 ILE 11 1HD1 ILE 11 13.819 7.198 5.950 570 HD13 ILE 11 2HD1 ILE 11 15.218 7.294 4.881 571 H LYS 12 H LYS 12 9.833 10.549 4.607 572 HA LYS 12 HA LYS 12 7.365 9.250 5.528 573 HB2 LYS 12 2HB LYS 12 8.259 11.851 5.786 574 HB3 LYS 12 1HB LYS 12 7.146 11.957 4.431 575 HG2 LYS 12 2HG LYS 12 6.470 10.817 7.135 576 HG3 LYS 12 1HG LYS 12 6.084 12.450 6.594 577 HD2 LYS 12 2HD LYS 12 5.112 9.907 5.290 578 HD3 LYS 12 1HD LYS 12 4.173 10.902 6.404 579 HE2 LYS 12 2HE LYS 12 5.293 11.834 3.762 580 HE3 LYS 12 1HE LYS 12 3.627 11.327 4.036 581 HZ1 LYS 12 3HZ LYS 12 4.947 13.590 5.440 582 HZ2 LYS 12 1HZ LYS 12 3.317 13.141 5.554 583 HZ3 LYS 12 2HZ LYS 12 3.932 13.754 4.097 584 H LEU 13 H LEU 13 5.919 8.492 4.154 585 HA LEU 13 HA LEU 13 6.211 9.081 1.288 586 HB2 LEU 13 2HB LEU 13 5.515 6.643 0.950 587 HB3 LEU 13 1HB LEU 13 7.169 6.954 1.440 588 HG LEU 13 HG LEU 13 5.133 6.341 3.551 589 HD11 LEU 13 1HD1 LEU 13 4.767 4.617 1.863 590 HD12 LEU 13 2HD1 LEU 13 5.565 3.948 3.285 591 HD13 LEU 13 3HD1 LEU 13 6.498 4.274 1.824 592 HD21 LEU 13 3HD2 LEU 13 7.404 7.010 4.203 593 HD22 LEU 13 1HD2 LEU 13 8.070 5.691 3.237 594 HD23 LEU 13 2HD2 LEU 13 7.076 5.335 4.648 595 H GLY 14 H GLY 14 4.332 9.300 0.138 596 HA2 GLY 14 2HA GLY 14 1.890 9.298 1.769 597 HA3 GLY 14 1HA GLY 14 2.140 10.264 0.327 598 H VAL 15 H VAL 15 0.515 7.683 1.491 599 HA VAL 15 HA VAL 15 0.498 6.304 -1.116 600 HB VAL 15 HB VAL 15 -0.437 5.180 1.544 601 HG11 VAL 15 1HG1 VAL 15 -1.545 4.174 -0.363 602 HG12 VAL 15 2HG1 VAL 15 -0.418 3.033 0.375 603 HG13 VAL 15 3HG1 VAL 15 0.017 3.859 -1.122 604 HG21 VAL 15 3HG2 VAL 15 2.142 4.678 0.072 605 HG22 VAL 15 1HG2 VAL 15 1.598 3.838 1.524 606 HG23 VAL 15 2HG2 VAL 15 1.966 5.563 1.589 607 H TYR 16 H TYR 16 -1.477 5.944 -2.152 608 HA TYR 16 HA TYR 16 -3.830 7.238 -0.947 609 HB2 TYR 16 2HB TYR 16 -2.843 7.094 -3.713 610 HB3 TYR 16 1HB TYR 16 -4.558 6.725 -3.533 611 HD1 TYR 16 2HD TYR 16 -5.939 8.361 -2.143 612 HD2 TYR 16 1HD TYR 16 -2.178 9.339 -3.851 613 HE1 TYR 16 2HE TYR 16 -6.502 10.726 -1.968 614 HE2 TYR 16 1HE TYR 16 -2.732 11.732 -3.701 615 HH TYR 16 HH TYR 16 -4.510 13.206 -3.449 616 H ILE 17 H ILE 17 -5.441 5.969 -0.264 617 HA ILE 17 HA ILE 17 -5.799 3.370 -1.555 618 HB ILE 17 HB ILE 17 -5.952 2.129 0.484 619 HG12 ILE 17 2HG1 ILE 17 -5.252 4.679 1.957 620 HG13 ILE 17 1HG1 ILE 17 -6.835 3.900 1.955 621 HG21 ILE 17 1HG2 ILE 17 -3.624 2.237 1.277 622 HG22 ILE 17 2HG2 ILE 17 -3.419 3.762 0.414 623 HG23 ILE 17 3HG2 ILE 17 -3.746 2.277 -0.481 624 HD11 ILE 17 3HD1 ILE 17 -4.276 2.777 3.071 625 HD12 ILE 17 1HD1 ILE 17 -5.804 1.903 2.978 626 HD13 ILE 17 2HD1 ILE 17 -5.675 3.349 3.983 627 HA PRO 18 HA PRO 18 -10.057 4.254 -1.579 628 HB2 PRO 18 2HB PRO 18 -10.565 1.436 -0.820 629 HB3 PRO 18 1HB PRO 18 -11.055 2.323 -2.268 630 HG2 PRO 18 2HG PRO 18 -9.121 0.497 -2.378 631 HG3 PRO 18 1HG PRO 18 -9.012 2.000 -3.315 632 HD2 PRO 18 2HD PRO 18 -7.664 1.269 -0.741 633 HD3 PRO 18 1HD PRO 18 -7.002 2.110 -2.160 634 H GLN 19 H GLN 19 -11.974 4.438 -0.380 635 HA GLN 19 HA GLN 19 -11.497 4.934 2.392 636 HB2 GLN 19 2HB GLN 19 -13.615 5.955 2.438 637 HB3 GLN 19 1HB GLN 19 -13.021 6.260 0.812 638 HG2 GLN 19 2HG GLN 19 -14.885 5.394 0.013 639 HG3 GLN 19 1HG GLN 19 -14.413 3.831 0.684 640 HE21 GLN 19 1HE2 GLN 19 -15.204 3.240 2.740 641 HE22 GLN 19 2HE2 GLN 19 -16.630 3.964 3.402 642 H GLU 20 H GLU 20 -12.938 2.385 0.530 643 HA GLU 20 HA GLU 20 -14.334 0.962 2.460 644 HB2 GLU 20 2HB GLU 20 -12.539 -0.232 0.333 645 HB3 GLU 20 1HB GLU 20 -13.876 -1.037 1.139 646 HG2 GLU 20 2HG GLU 20 -14.872 -0.471 -0.824 647 HG3 GLU 20 1HG GLU 20 -15.264 0.956 0.133 648 H TRP 21 H TRP 21 -10.893 1.269 1.938 649 HA TRP 21 HA TRP 21 -10.158 -0.706 3.894 650 HB2 TRP 21 2HB TRP 21 -8.648 1.416 2.389 651 HB3 TRP 21 1HB TRP 21 -7.890 0.495 3.679 652 HD1 TRP 21 HD TRP 21 -10.120 -1.761 1.736 653 HE1 TRP 21 1HE TRP 21 -8.706 -3.156 0.081 654 HE3 TRP 21 3HE TRP 21 -5.772 0.821 2.091 655 HZ2 TRP 21 2HZ TRP 21 -6.033 -3.121 -0.937 656 HZ3 TRP 21 3HZ TRP 21 -3.837 0.110 0.771 657 HH2 TRP 21 HH TRP 21 -3.944 -1.803 -0.700 658 H HIS 22 H HIS 22 -10.303 2.839 3.726 659 HA HIS 22 HA HIS 22 -9.286 3.398 6.263 660 HB2 HIS 22 2HB HIS 22 -11.365 4.858 4.628 661 HB3 HIS 22 1HB HIS 22 -10.737 5.478 6.154 662 HD1 HIS 22 1HD HIS 22 -8.673 6.855 6.022 663 HD2 HIS 22 2HD HIS 22 -9.246 4.540 2.610 664 HE1 HIS 22 1HE HIS 22 -6.897 7.581 4.396 665 HE2 HIS 22 2HE HIS 22 -7.360 6.275 2.293 666 H ASP 23 H ASP 23 -12.560 2.570 5.250 667 HA ASP 23 HA ASP 23 -13.862 2.867 7.699 668 HB2 ASP 23 2HB ASP 23 -14.879 2.421 5.419 669 HB3 ASP 23 1HB ASP 23 -14.455 0.728 5.649 670 H ARG 24 H ARG 24 -12.707 -0.218 6.283 671 HA ARG 24 HA ARG 24 -13.291 -1.625 8.704 672 HB2 ARG 24 2HB ARG 24 -12.056 -2.382 6.081 673 HB3 ARG 24 1HB ARG 24 -11.944 -3.486 7.440 674 HG2 ARG 24 2HG ARG 24 -13.802 -4.152 6.134 675 HG3 ARG 24 1HG ARG 24 -14.436 -3.415 7.602 676 HD2 ARG 24 2HD ARG 24 -14.961 -1.388 6.429 677 HD3 ARG 24 1HD ARG 24 -14.151 -1.972 4.973 678 HE ARG 24 HE ARG 24 -16.085 -3.847 5.519 679 HH11 ARG 24 1HH1 ARG 24 -16.060 -0.405 4.872 680 HH12 ARG 24 2HH1 ARG 24 -17.642 -0.397 4.166 681 HH21 ARG 24 1HH2 ARG 24 -18.155 -3.843 4.572 682 HH22 ARG 24 2HH2 ARG 24 -18.832 -2.354 3.976 683 H LEU 25 H LEU 25 -10.274 -0.682 7.092 684 HA LEU 25 HA LEU 25 -8.590 -2.068 8.888 685 HB2 LEU 25 2HB LEU 25 -8.108 0.082 6.850 686 HB3 LEU 25 1HB LEU 25 -6.822 -0.439 7.918 687 HG LEU 25 HG LEU 25 -6.659 -1.549 5.757 688 HD11 LEU 25 1HD1 LEU 25 -6.577 -3.876 6.545 689 HD12 LEU 25 2HD1 LEU 25 -7.470 -3.400 7.990 690 HD13 LEU 25 3HD1 LEU 25 -5.860 -2.745 7.694 691 HD21 LEU 25 3HD2 LEU 25 -9.374 -2.712 6.365 692 HD22 LEU 25 1HD2 LEU 25 -8.337 -3.153 5.007 693 HD23 LEU 25 2HD2 LEU 25 -9.011 -1.527 5.112 694 H MET 26 H MET 26 -9.596 1.369 8.740 695 HA MET 26 HA MET 26 -7.911 2.124 10.881 696 HB2 MET 26 2HB MET 26 -10.289 3.437 9.619 697 HB3 MET 26 1HB MET 26 -9.538 4.113 11.060 698 HG2 MET 26 2HG MET 26 -8.112 3.554 8.470 699 HG3 MET 26 1HG MET 26 -8.729 5.131 8.972 700 HE1 MET 26 3HE MET 26 -8.102 5.060 12.124 701 HE2 MET 26 1HE MET 26 -7.813 6.464 11.096 702 HE3 MET 26 2HE MET 26 -6.533 5.864 12.151 703 H GLU 27 H GLU 27 -11.185 0.813 10.817 704 HA GLU 27 HA GLU 27 -11.708 1.321 13.548 705 HB2 GLU 27 2HB GLU 27 -13.349 0.495 11.769 706 HB3 GLU 27 1HB GLU 27 -12.678 -1.108 12.048 707 HG2 GLU 27 2HG GLU 27 -14.758 -0.689 13.301 708 HG3 GLU 27 1HG GLU 27 -13.384 -1.063 14.342 709 H ILE 28 H ILE 28 -10.031 -1.262 11.868 710 HA ILE 28 HA ILE 28 -9.475 -2.872 14.141 711 HB ILE 28 HB ILE 28 -7.946 -2.603 11.542 712 HG12 ILE 28 2HG1 ILE 28 -9.992 -4.663 12.405 713 HG13 ILE 28 1HG1 ILE 28 -10.298 -3.338 11.287 714 HG21 ILE 28 1HG2 ILE 28 -6.972 -4.783 12.091 715 HG22 ILE 28 2HG2 ILE 28 -7.791 -4.754 13.652 716 HG23 ILE 28 3HG2 ILE 28 -6.544 -3.561 13.288 717 HD11 ILE 28 3HD1 ILE 28 -9.948 -5.412 10.094 718 HD12 ILE 28 1HD1 ILE 28 -8.373 -5.609 10.862 719 HD13 ILE 28 2HD1 ILE 28 -8.646 -4.274 9.742 720 H ALA 29 H ALA 29 -7.922 -0.155 12.595 721 HA ALA 29 HA ALA 29 -5.483 -0.157 13.987 722 HB1 ALA 29 1HB ALA 29 -5.258 2.146 13.221 723 HB2 ALA 29 2HB ALA 29 -6.965 2.176 12.779 724 HB3 ALA 29 3HB ALA 29 -5.852 1.105 11.928 725 H LYS 30 H LYS 30 -8.662 0.911 14.917 726 HA LYS 30 HA LYS 30 -7.761 2.530 17.119 727 HB2 LYS 30 2HB LYS 30 -10.487 1.275 16.742 728 HB3 LYS 30 1HB LYS 30 -10.085 2.644 17.771 729 HG2 LYS 30 2HG LYS 30 -9.954 2.619 14.765 730 HG3 LYS 30 1HG LYS 30 -11.240 3.335 15.736 731 HD2 LYS 30 2HD LYS 30 -9.669 4.906 16.705 732 HD3 LYS 30 1HD LYS 30 -8.338 4.151 15.825 733 HE2 LYS 30 2HE LYS 30 -9.100 6.207 14.733 734 HE3 LYS 30 1HE LYS 30 -9.341 4.792 13.710 735 HZ1 LYS 30 3HZ LYS 30 -11.642 4.806 14.142 736 HZ2 LYS 30 1HZ LYS 30 -11.229 6.413 13.798 737 HZ3 LYS 30 2HZ LYS 30 -11.493 5.930 15.404 738 H GLU 31 H GLU 31 -9.037 -0.695 16.643 739 HA GLU 31 HA GLU 31 -9.119 -1.498 19.329 740 HB2 GLU 31 2HB GLU 31 -9.978 -2.587 17.050 741 HB3 GLU 31 1HB GLU 31 -8.475 -3.479 17.195 742 HG2 GLU 31 2HG GLU 31 -10.697 -3.408 19.226 743 HG3 GLU 31 1HG GLU 31 -10.337 -4.727 18.115 744 H LYS 32 H LYS 32 -6.574 -1.751 16.872 745 HA LYS 32 HA LYS 32 -4.868 -3.206 18.724 746 HB2 LYS 32 2HB LYS 32 -4.586 -2.578 15.792 747 HB3 LYS 32 1HB LYS 32 -3.373 -3.446 16.723 748 HG2 LYS 32 2HG LYS 32 -6.227 -4.319 16.315 749 HG3 LYS 32 1HG LYS 32 -4.819 -4.968 15.471 750 HD2 LYS 32 2HD LYS 32 -3.893 -5.719 17.618 751 HD3 LYS 32 1HD LYS 32 -5.311 -5.080 18.448 752 HE2 LYS 32 2HE LYS 32 -5.374 -7.233 16.336 753 HE3 LYS 32 1HE LYS 32 -5.398 -7.532 18.072 754 HZ1 LYS 32 3HZ LYS 32 -7.468 -6.174 18.161 755 HZ2 LYS 32 1HZ LYS 32 -7.623 -7.612 17.271 756 HZ3 LYS 32 2HZ LYS 32 -7.467 -6.136 16.463 757 H ASN 33 H ASN 33 -5.387 -0.017 18.122 758 HA ASN 33 HA ASN 33 -4.318 1.885 18.760 759 HB2 ASN 33 2HB ASN 33 -2.318 -0.029 19.979 760 HB3 ASN 33 1HB ASN 33 -2.285 1.713 20.205 761 HD21 ASN 33 1HD2 ASN 33 -3.877 2.696 21.436 762 HD22 ASN 33 2HD2 ASN 33 -4.865 1.803 22.538 763 H LEU 34 H LEU 34 -4.053 1.391 16.229 764 HA LEU 34 HA LEU 34 -1.284 2.111 15.560 765 HB2 LEU 34 2HB LEU 34 -3.024 0.129 14.077 766 HB3 LEU 34 1HB LEU 34 -1.485 0.740 13.497 767 HG LEU 34 HG LEU 34 -1.814 -0.873 16.029 768 HD11 LEU 34 1HD1 LEU 34 -0.863 -2.725 14.758 769 HD12 LEU 34 2HD1 LEU 34 -0.875 -1.737 13.298 770 HD13 LEU 34 3HD1 LEU 34 -2.396 -2.200 14.062 771 HD21 LEU 34 3HD2 LEU 34 0.616 -1.097 15.884 772 HD22 LEU 34 1HD2 LEU 34 0.137 0.595 16.018 773 HD23 LEU 34 2HD2 LEU 34 0.628 -0.061 14.456 774 H THR 35 H THR 35 -1.161 3.201 13.396 775 HA THR 35 HA THR 35 -3.707 4.500 12.677 776 HB THR 35 HB THR 35 -2.364 6.085 11.359 777 HG1 THR 35 1HG THR 35 -0.068 4.793 12.468 778 HG21 THR 35 3HG2 THR 35 -1.382 5.783 14.193 779 HG22 THR 35 1HG2 THR 35 -2.826 6.651 13.678 780 HG23 THR 35 2HG2 THR 35 -1.230 7.238 13.208 781 H LEU 36 H LEU 36 -4.116 4.707 10.283 782 HA LEU 36 HA LEU 36 -3.966 2.275 8.943 783 HB2 LEU 36 2HB LEU 36 -4.658 3.426 6.950 784 HB3 LEU 36 1HB LEU 36 -5.526 4.080 8.320 785 HG LEU 36 HG LEU 36 -3.152 5.423 7.012 786 HD11 LEU 36 1HD1 LEU 36 -6.103 5.943 6.697 787 HD12 LEU 36 2HD1 LEU 36 -5.027 5.272 5.472 788 HD13 LEU 36 3HD1 LEU 36 -4.806 6.931 6.026 789 HD21 LEU 36 3HD2 LEU 36 -3.950 7.414 8.228 790 HD22 LEU 36 1HD2 LEU 36 -3.453 6.121 9.319 791 HD23 LEU 36 2HD2 LEU 36 -5.166 6.420 9.029 792 H SER 37 H SER 37 -1.822 5.064 8.833 793 HA SER 37 HA SER 37 -0.029 4.251 6.884 794 HB2 SER 37 2HB SER 37 0.659 5.702 9.449 795 HB3 SER 37 1HB SER 37 1.526 5.786 7.915 796 HG SER 37 HG SER 37 0.273 7.530 7.809 797 H ASP 38 H ASP 38 -0.118 3.473 10.346 798 HA ASP 38 HA ASP 38 2.292 2.007 10.419 799 HB2 ASP 38 2HB ASP 38 -0.159 1.830 12.179 800 HB3 ASP 38 1HB ASP 38 1.322 0.932 12.481 801 H VAL 39 H VAL 39 -1.066 1.036 9.893 802 HA VAL 39 HA VAL 39 -0.630 -1.736 9.996 803 HB VAL 39 HB VAL 39 -2.784 -0.265 8.468 804 HG11 VAL 39 1HG1 VAL 39 -4.076 -2.334 8.715 805 HG12 VAL 39 2HG1 VAL 39 -2.686 -3.108 9.475 806 HG13 VAL 39 3HG1 VAL 39 -2.598 -2.599 7.789 807 HG21 VAL 39 3HG2 VAL 39 -4.161 -0.594 10.460 808 HG22 VAL 39 1HG2 VAL 39 -2.736 0.380 10.821 809 HG23 VAL 39 2HG2 VAL 39 -2.787 -1.319 11.294 810 H CYS 40 H CYS 40 -0.587 0.528 7.256 811 HA CYS 40 HA CYS 40 -0.350 -1.437 5.248 812 HB2 CYS 40 2HB CYS 40 0.738 1.380 5.086 813 HB3 CYS 40 1HB CYS 40 0.241 0.342 3.759 814 HG CYS 40 HG CYS 40 -1.868 1.701 6.088 815 H ARG 41 H ARG 41 2.204 0.670 6.614 816 HA ARG 41 HA ARG 41 4.318 -0.701 5.432 817 HB2 ARG 41 2HB ARG 41 5.764 0.440 7.081 818 HB3 ARG 41 1HB ARG 41 4.652 1.511 6.248 819 HG2 ARG 41 2HG ARG 41 4.423 2.309 8.347 820 HG3 ARG 41 1HG ARG 41 3.179 1.062 8.396 821 HD2 ARG 41 2HD ARG 41 4.678 -0.458 9.515 822 HD3 ARG 41 1HD ARG 41 6.016 0.684 9.343 823 HE ARG 41 HE ARG 41 3.787 1.804 10.742 824 HH11 ARG 41 1HH1 ARG 41 6.653 -0.174 11.146 825 HH12 ARG 41 2HH1 ARG 41 6.794 0.164 12.840 826 HH21 ARG 41 1HH2 ARG 41 3.985 2.271 12.950 827 HH22 ARG 41 2HH2 ARG 41 5.308 1.587 13.855 828 H LEU 42 H LEU 42 2.678 -1.396 8.501 829 HA LEU 42 HA LEU 42 4.640 -3.232 9.421 830 HB2 LEU 42 2HB LEU 42 1.706 -2.935 10.016 831 HB3 LEU 42 1HB LEU 42 2.673 -4.209 10.735 832 HG LEU 42 HG LEU 42 3.182 -1.249 11.051 833 HD11 LEU 42 1HD1 LEU 42 1.155 -1.970 12.206 834 HD12 LEU 42 2HD1 LEU 42 2.438 -1.580 13.351 835 HD13 LEU 42 3HD1 LEU 42 2.057 -3.264 12.994 836 HD21 LEU 42 3HD2 LEU 42 4.804 -1.943 12.745 837 HD22 LEU 42 1HD2 LEU 42 5.227 -2.575 11.154 838 HD23 LEU 42 2HD2 LEU 42 4.491 -3.636 12.356 839 H ALA 43 H ALA 43 1.931 -3.458 7.255 840 HA ALA 43 HA ALA 43 2.034 -6.285 6.948 841 HB1 ALA 43 1HB ALA 43 0.895 -4.186 5.114 842 HB2 ALA 43 2HB ALA 43 0.033 -4.985 6.429 843 HB3 ALA 43 3HB ALA 43 0.579 -5.919 5.037 844 H ILE 44 H ILE 44 3.819 -3.609 5.640 845 HA ILE 44 HA ILE 44 4.940 -4.924 3.385 846 HB ILE 44 HB ILE 44 6.100 -2.689 5.073 847 HG12 ILE 44 2HG1 ILE 44 4.665 -2.632 2.407 848 HG13 ILE 44 1HG1 ILE 44 4.014 -2.069 3.943 849 HG21 ILE 44 1HG2 ILE 44 7.639 -2.282 3.222 850 HG22 ILE 44 2HG2 ILE 44 6.985 -3.677 2.365 851 HG23 ILE 44 3HG2 ILE 44 7.855 -3.905 3.882 852 HD11 ILE 44 3HD1 ILE 44 5.725 -0.339 4.049 853 HD12 ILE 44 1HD1 ILE 44 4.771 -0.208 2.571 854 HD13 ILE 44 2HD1 ILE 44 6.395 -0.899 2.517 855 H LYS 45 H LYS 45 5.875 -4.585 6.760 856 HA LYS 45 HA LYS 45 8.281 -5.985 6.674 857 HB2 LYS 45 2HB LYS 45 7.526 -4.698 8.629 858 HB3 LYS 45 1HB LYS 45 6.253 -5.876 8.913 859 HG2 LYS 45 2HG LYS 45 8.059 -6.275 10.437 860 HG3 LYS 45 1HG LYS 45 7.977 -7.600 9.275 861 HD2 LYS 45 2HD LYS 45 9.800 -6.595 7.994 862 HD3 LYS 45 1HD LYS 45 9.883 -5.266 9.151 863 HE2 LYS 45 2HE LYS 45 11.615 -6.844 9.666 864 HE3 LYS 45 1HE LYS 45 10.392 -6.919 10.931 865 HZ1 LYS 45 3HZ LYS 45 11.016 -9.126 10.368 866 HZ2 LYS 45 1HZ LYS 45 10.798 -8.844 8.712 867 HZ3 LYS 45 2HZ LYS 45 9.455 -8.881 9.749 868 H GLU 46 H GLU 46 4.958 -7.113 7.024 869 HA GLU 46 HA GLU 46 5.601 -9.872 7.307 870 HB2 GLU 46 2HB GLU 46 3.446 -8.957 8.029 871 HB3 GLU 46 1HB GLU 46 3.067 -8.503 6.373 872 HG2 GLU 46 2HG GLU 46 1.870 -10.496 6.971 873 HG3 GLU 46 1HG GLU 46 3.074 -10.874 5.741 874 H TYR 47 H TYR 47 4.884 -7.742 4.624 875 HA TYR 47 HA TYR 47 4.568 -9.646 2.607 876 HB2 TYR 47 2HB TYR 47 4.051 -7.135 2.580 877 HB3 TYR 47 1HB TYR 47 5.750 -6.905 2.189 878 HD1 TYR 47 2HD TYR 47 2.660 -8.601 1.022 879 HD2 TYR 47 1HD TYR 47 6.473 -7.040 -0.038 880 HE1 TYR 47 2HE TYR 47 2.127 -8.936 -1.352 881 HE2 TYR 47 1HE TYR 47 5.947 -7.366 -2.419 882 HH TYR 47 HH TYR 47 2.761 -8.184 -3.504 883 H LEU 48 H LEU 48 7.403 -7.870 3.740 884 HA LEU 48 HA LEU 48 9.271 -9.070 1.971 885 HB2 LEU 48 2HB LEU 48 9.806 -7.872 4.689 886 HB3 LEU 48 1HB LEU 48 10.979 -8.126 3.414 887 HG LEU 48 HG LEU 48 8.681 -6.173 3.354 888 HD11 LEU 48 1HD1 LEU 48 11.658 -5.767 3.555 889 HD12 LEU 48 2HD1 LEU 48 10.467 -5.467 4.821 890 HD13 LEU 48 3HD1 LEU 48 10.462 -4.487 3.355 891 HD21 LEU 48 3HD2 LEU 48 9.647 -5.397 1.241 892 HD22 LEU 48 1HD2 LEU 48 9.112 -7.074 1.129 893 HD23 LEU 48 2HD2 LEU 48 10.829 -6.706 1.300 894 H ASP 49 H ASP 49 8.551 -9.614 5.401 895 HA ASP 49 HA ASP 49 10.505 -11.599 5.801 896 HB2 ASP 49 2HB ASP 49 9.457 -10.177 7.560 897 HB3 ASP 49 1HB ASP 49 7.993 -11.142 7.412 898 H ASN 50 H ASN 50 7.483 -11.810 4.274 899 HA ASN 50 HA ASN 50 6.769 -14.455 4.985 900 HB2 ASN 50 2HB ASN 50 5.191 -12.825 3.988 901 HB3 ASN 50 1HB ASN 50 6.093 -12.881 2.482 902 HD21 ASN 50 1HD2 ASN 50 3.297 -13.532 3.203 903 HD22 ASN 50 2HD2 ASN 50 3.026 -15.135 2.605 904 H HIS 51 H HIS 51 8.262 -13.188 1.982 905 HA HIS 51 HA HIS 51 9.175 -15.903 1.416 906 HB2 HIS 51 2HB HIS 51 9.772 -15.071 -0.828 907 HB3 HIS 51 1HB HIS 51 8.077 -14.809 -0.444 908 HD1 HIS 51 1HD HIS 51 7.247 -12.397 -0.316 909 HD2 HIS 51 2HD HIS 51 11.325 -12.736 -1.066 910 HE1 HIS 51 1HE HIS 51 8.012 -10.089 -0.982 911 HE2 HIS 51 2HE HIS 51 10.436 -10.371 -1.634 912 H ASP 52 H ASP 52 10.328 -13.015 2.723 913 HA ASP 52 HA ASP 52 12.365 -12.215 3.317 914 HB2 ASP 52 2HB ASP 52 12.209 -14.487 4.484 915 HB3 ASP 52 1HB ASP 52 13.288 -15.090 3.232 916 H LYS 53 H LYS 53 14.905 -13.764 2.548 917 HA LYS 53 HA LYS 53 15.298 -12.578 -0.049 918 HB2 LYS 53 2HB LYS 53 17.058 -14.468 1.531 919 HB3 LYS 53 1HB LYS 53 17.545 -13.594 0.087 920 HG2 LYS 53 2HG LYS 53 16.655 -12.250 2.625 921 HG3 LYS 53 1HG LYS 53 18.336 -12.626 2.251 922 HD2 LYS 53 2HD LYS 53 16.510 -10.842 0.637 923 HD3 LYS 53 1HD LYS 53 17.814 -10.307 1.700 924 HE2 LYS 53 2HE LYS 53 19.367 -11.701 0.254 925 HE3 LYS 53 1HE LYS 53 18.025 -11.840 -0.880 926 HZ1 LYS 53 3HZ LYS 53 19.376 -10.042 -1.583 927 HZ2 LYS 53 1HZ LYS 53 19.414 -9.361 -0.034 928 HZ3 LYS 53 2HZ LYS 53 17.976 -9.358 -0.925 929 H GLN 54 H GLN 54 15.028 -15.824 1.298 930 HA GLN 54 HA GLN 54 13.823 -16.810 -1.121 931 HB2 GLN 54 2HB GLN 54 15.411 -18.690 -1.390 932 HB3 GLN 54 1HB GLN 54 16.167 -17.134 -1.698 933 HG2 GLN 54 2HG GLN 54 17.278 -17.171 0.406 934 HG3 GLN 54 1HG GLN 54 16.363 -18.583 0.927 935 HE21 GLN 54 1HE2 GLN 54 16.592 -19.898 -1.672 936 HE22 GLN 54 2HE2 GLN 54 18.227 -20.482 -1.758 937 H LYS 55 H LYS 55 12.794 -18.877 -0.786 938 HA LYS 55 HA LYS 55 12.431 -19.507 2.063 939 HB2 LYS 55 2HB LYS 55 10.739 -20.164 -0.353 940 HB3 LYS 55 1HB LYS 55 10.435 -20.823 1.248 941 HG2 LYS 55 2HG LYS 55 10.201 -18.490 2.088 942 HG3 LYS 55 1HG LYS 55 10.323 -17.934 0.418 943 HD2 LYS 55 2HD LYS 55 8.336 -19.144 -0.188 944 HD3 LYS 55 1HD LYS 55 8.257 -19.895 1.408 945 HE2 LYS 55 2HE LYS 55 7.985 -17.632 2.395 946 HE3 LYS 55 1HE LYS 55 7.926 -16.968 0.764 947 HZ1 LYS 55 3HZ LYS 55 6.036 -19.023 1.759 948 HZ2 LYS 55 1HZ LYS 55 5.921 -18.122 0.328 949 HZ3 LYS 55 2HZ LYS 55 5.727 -17.360 1.832 950 H LYS 56 H LYS 56 13.290 -21.319 2.888 951 HA LYS 56 HA LYS 56 14.558 -23.175 1.004 952 HB2 LYS 56 2HB LYS 56 14.927 -22.999 3.997 953 HB3 LYS 56 1HB LYS 56 15.905 -23.922 2.865 954 HG2 LYS 56 2HG LYS 56 16.641 -21.808 1.827 955 HG3 LYS 56 1HG LYS 56 15.723 -20.923 3.046 956 HD2 LYS 56 2HD LYS 56 18.023 -22.810 3.556 957 HD3 LYS 56 1HD LYS 56 18.066 -21.051 3.684 958 HE2 LYS 56 2HE LYS 56 16.323 -22.869 5.345 959 HE3 LYS 56 1HE LYS 56 17.860 -22.187 5.873 960 HZ1 LYS 56 3HZ LYS 56 15.931 -20.931 6.676 961 HZ2 LYS 56 1HZ LYS 56 15.484 -20.588 5.079 962 HZ3 LYS 56 2HZ LYS 56 16.944 -19.986 5.698 Start of MODEL 15 1 H1 GLY 2 1HT GLY 2 -18.667 3.680 -8.312 2 H2 GLY 2 2HT GLY 2 -17.564 3.908 -9.576 3 H3 GLY 2 3HT GLY 2 -19.117 3.313 -9.905 4 HA2 GLY 2 1HA GLY 2 -18.949 5.644 -10.520 5 HA3 GLY 2 2HA GLY 2 -20.105 5.397 -9.216 6 H ARG 3 H ARG 3 -19.832 7.608 -8.631 7 HA ARG 3 HA ARG 3 -17.256 8.270 -7.378 8 HB2 ARG 3 2HB ARG 3 -19.635 10.048 -7.951 9 HB3 ARG 3 1HB ARG 3 -18.078 10.577 -7.325 10 HG2 ARG 3 2HG ARG 3 -18.547 9.321 -10.019 11 HG3 ARG 3 1HG ARG 3 -18.320 11.043 -9.709 12 HD2 ARG 3 2HD ARG 3 -16.085 10.678 -8.951 13 HD3 ARG 3 1HD ARG 3 -16.297 8.926 -8.997 14 HE ARG 3 HE ARG 3 -16.788 9.659 -11.550 15 HH11 ARG 3 1HH1 ARG 3 -14.106 10.300 -9.370 16 HH12 ARG 3 2HH1 ARG 3 -12.940 10.444 -10.650 17 HH21 ARG 3 1HH2 ARG 3 -15.259 9.830 -13.205 18 HH22 ARG 3 2HH2 ARG 3 -13.597 10.160 -12.828 19 HA PRO 4 HA PRO 4 -19.518 7.231 -3.595 20 HB2 PRO 4 2HB PRO 4 -16.897 7.172 -2.340 21 HB3 PRO 4 1HB PRO 4 -18.033 5.846 -2.598 22 HG2 PRO 4 2HG PRO 4 -15.661 6.033 -3.909 23 HG3 PRO 4 1HG PRO 4 -17.095 5.256 -4.606 24 HD2 PRO 4 2HD PRO 4 -16.008 8.011 -5.087 25 HD3 PRO 4 1HD PRO 4 -16.656 6.834 -6.256 26 H TYR 5 H TYR 5 -19.901 8.381 -1.664 27 HA TYR 5 HA TYR 5 -19.379 11.205 -2.097 28 HB2 TYR 5 2HB TYR 5 -21.291 9.785 -0.241 29 HB3 TYR 5 1HB TYR 5 -21.151 11.537 -0.371 30 HD1 TYR 5 1HD TYR 5 -21.046 12.172 -3.108 31 HD2 TYR 5 2HD TYR 5 -23.218 9.020 -1.256 32 HE1 TYR 5 1HE TYR 5 -22.634 12.175 -4.981 33 HE2 TYR 5 2HE TYR 5 -24.813 9.013 -3.128 34 HH TYR 5 HH TYR 5 -25.609 10.738 -4.863 35 H LYS 6 H LYS 6 -17.075 10.450 -1.389 36 HA LYS 6 HA LYS 6 -16.793 11.545 1.312 37 HB2 LYS 6 2HB LYS 6 -15.320 9.104 0.298 38 HB3 LYS 6 1HB LYS 6 -14.892 9.982 1.756 39 HG2 LYS 6 2HG LYS 6 -17.538 8.640 1.289 40 HG3 LYS 6 1HG LYS 6 -16.180 7.926 2.155 41 HD2 LYS 6 2HD LYS 6 -16.263 9.794 3.769 42 HD3 LYS 6 1HD LYS 6 -17.670 10.437 2.918 43 HE2 LYS 6 2HE LYS 6 -18.884 8.352 3.384 44 HE3 LYS 6 1HE LYS 6 -17.485 7.743 4.265 45 HZ1 LYS 6 3HZ LYS 6 -19.173 10.077 4.987 46 HZ2 LYS 6 1HZ LYS 6 -17.732 9.661 5.789 47 HZ3 LYS 6 2HZ LYS 6 -19.057 8.601 5.816 48 H LEU 7 H LEU 7 -14.389 10.186 -0.886 49 HA LEU 7 HA LEU 7 -13.589 12.849 -1.745 50 HB2 LEU 7 2HB LEU 7 -12.380 12.330 0.399 51 HB3 LEU 7 1HB LEU 7 -11.608 10.993 -0.427 52 HG LEU 7 HG LEU 7 -10.503 12.530 -1.959 53 HD11 LEU 7 1HD1 LEU 7 -11.880 14.711 -0.391 54 HD12 LEU 7 2HD1 LEU 7 -12.217 14.265 -2.064 55 HD13 LEU 7 3HD1 LEU 7 -10.651 14.951 -1.633 56 HD21 LEU 7 3HD2 LEU 7 -9.015 13.626 -0.360 57 HD22 LEU 7 1HD2 LEU 7 -9.392 11.976 0.139 58 HD23 LEU 7 2HD2 LEU 7 -10.185 13.339 0.927 59 H LEU 8 H LEU 8 -14.811 11.063 -3.285 60 HA LEU 8 HA LEU 8 -14.726 9.991 -5.277 61 HB2 LEU 8 2HB LEU 8 -12.147 11.540 -5.432 62 HB3 LEU 8 1HB LEU 8 -12.801 10.628 -6.778 63 HG LEU 8 HG LEU 8 -13.420 12.860 -7.173 64 HD11 LEU 8 1HD1 LEU 8 -15.784 11.508 -5.890 65 HD12 LEU 8 2HD1 LEU 8 -15.234 11.294 -7.552 66 HD13 LEU 8 3HD1 LEU 8 -15.854 12.859 -7.024 67 HD21 LEU 8 3HD2 LEU 8 -14.503 14.309 -5.549 68 HD22 LEU 8 1HD2 LEU 8 -12.941 13.756 -4.945 69 HD23 LEU 8 2HD2 LEU 8 -14.430 13.032 -4.336 70 H ASN 9 H ASN 9 -13.919 8.436 -3.138 71 HA ASN 9 HA ASN 9 -12.960 6.448 -2.615 72 HB2 ASN 9 2HB ASN 9 -14.108 5.956 -4.859 73 HB3 ASN 9 1HB ASN 9 -12.501 6.050 -5.570 74 HD21 ASN 9 1HD2 ASN 9 -14.581 4.266 -3.408 75 HD22 ASN 9 2HD2 ASN 9 -13.631 2.815 -3.365 76 H GLY 10 H GLY 10 -11.234 8.535 -2.318 77 HA2 GLY 10 2HA GLY 10 -8.704 7.179 -2.539 78 HA3 GLY 10 1HA GLY 10 -8.821 8.621 -3.540 79 H ILE 11 H ILE 11 -8.195 7.396 -0.466 80 HA ILE 11 HA ILE 11 -8.435 10.036 0.805 81 HB ILE 11 HB ILE 11 -7.977 7.356 2.131 82 HG12 ILE 11 2HG1 ILE 11 -10.170 7.367 1.069 83 HG13 ILE 11 1HG1 ILE 11 -10.337 7.455 2.819 84 HG21 ILE 11 1HG2 ILE 11 -8.746 10.022 3.299 85 HG22 ILE 11 2HG2 ILE 11 -7.173 9.238 3.441 86 HG23 ILE 11 3HG2 ILE 11 -8.590 8.509 4.194 87 HD11 ILE 11 3HD1 ILE 11 -11.916 8.934 1.734 88 HD12 ILE 11 1HD1 ILE 11 -10.603 9.746 0.883 89 HD13 ILE 11 2HD1 ILE 11 -10.725 9.875 2.637 90 H LYS 12 H LYS 12 -6.658 10.965 1.779 91 HA LYS 12 HA LYS 12 -4.103 10.019 0.699 92 HB2 LYS 12 2HB LYS 12 -5.047 12.311 0.138 93 HB3 LYS 12 1HB LYS 12 -4.787 12.750 1.815 94 HG2 LYS 12 2HG LYS 12 -2.591 11.863 -0.045 95 HG3 LYS 12 1HG LYS 12 -3.044 13.546 0.210 96 HD2 LYS 12 2HD LYS 12 -2.630 13.097 2.693 97 HD3 LYS 12 1HD LYS 12 -1.842 11.610 2.168 98 HE2 LYS 12 2HE LYS 12 -1.066 14.441 1.499 99 HE3 LYS 12 1HE LYS 12 -0.151 13.266 2.443 100 HZ1 LYS 12 3HZ LYS 12 -0.687 13.222 -0.472 101 HZ2 LYS 12 1HZ LYS 12 -0.059 11.894 0.370 102 HZ3 LYS 12 2HZ LYS 12 0.810 13.348 0.307 103 H LEU 13 H LEU 13 -2.667 9.162 2.032 104 HA LEU 13 HA LEU 13 -2.743 9.868 4.873 105 HB2 LEU 13 2HB LEU 13 -2.393 7.525 5.495 106 HB3 LEU 13 1HB LEU 13 -3.927 7.764 4.683 107 HG LEU 13 HG LEU 13 -1.548 6.830 3.117 108 HD11 LEU 13 1HD1 LEU 13 -1.678 5.353 5.061 109 HD12 LEU 13 2HD1 LEU 13 -2.160 4.520 3.585 110 HD13 LEU 13 3HD1 LEU 13 -3.386 5.064 4.731 111 HD21 LEU 13 3HD2 LEU 13 -3.569 7.492 1.914 112 HD22 LEU 13 1HD2 LEU 13 -4.519 6.355 2.874 113 HD23 LEU 13 2HD2 LEU 13 -3.282 5.758 1.768 114 H GLY 14 H GLY 14 -0.812 10.272 5.730 115 HA2 GLY 14 2HA GLY 14 1.555 9.594 4.141 116 HA3 GLY 14 1HA GLY 14 1.478 10.837 5.383 117 H VAL 15 H VAL 15 2.954 8.093 4.797 118 HA VAL 15 HA VAL 15 2.714 7.134 7.577 119 HB VAL 15 HB VAL 15 3.748 5.565 5.184 120 HG11 VAL 15 1HG1 VAL 15 3.126 4.652 7.984 121 HG12 VAL 15 2HG1 VAL 15 4.740 4.870 7.305 122 HG13 VAL 15 3HG1 VAL 15 3.665 3.637 6.646 123 HG21 VAL 15 3HG2 VAL 15 1.104 5.355 6.615 124 HG22 VAL 15 1HG2 VAL 15 1.677 4.287 5.333 125 HG23 VAL 15 2HG2 VAL 15 1.356 5.985 4.988 126 H TYR 16 H TYR 16 4.664 6.687 8.724 127 HA TYR 16 HA TYR 16 7.104 7.832 7.533 128 HB2 TYR 16 2HB TYR 16 6.074 7.897 10.339 129 HB3 TYR 16 1HB TYR 16 7.809 7.922 10.051 130 HD1 TYR 16 2HD TYR 16 8.588 9.657 8.255 131 HD2 TYR 16 1HD TYR 16 4.974 9.938 10.470 132 HE1 TYR 16 2HE TYR 16 8.544 12.059 7.836 133 HE2 TYR 16 1HE TYR 16 4.918 12.365 10.074 134 HH TYR 16 HH TYR 16 6.567 14.179 9.564 135 H ILE 17 H ILE 17 8.620 6.399 7.086 136 HA ILE 17 HA ILE 17 8.963 4.139 8.904 137 HB ILE 17 HB ILE 17 8.955 2.453 7.302 138 HG12 ILE 17 2HG1 ILE 17 8.802 4.514 5.097 139 HG13 ILE 17 1HG1 ILE 17 10.259 3.639 5.559 140 HG21 ILE 17 1HG2 ILE 17 6.728 4.315 6.517 141 HG22 ILE 17 2HG2 ILE 17 6.709 3.151 7.842 142 HG23 ILE 17 3HG2 ILE 17 6.789 2.586 6.175 143 HD11 ILE 17 3HD1 ILE 17 9.343 2.576 3.641 144 HD12 ILE 17 1HD1 ILE 17 7.744 2.495 4.384 145 HD13 ILE 17 2HD1 ILE 17 9.064 1.519 5.031 146 HA PRO 18 HA PRO 18 13.303 4.790 8.671 147 HB2 PRO 18 2HB PRO 18 13.532 1.901 7.968 148 HB3 PRO 18 1HB PRO 18 14.341 2.815 9.247 149 HG2 PRO 18 2HG PRO 18 12.337 1.183 9.829 150 HG3 PRO 18 1HG PRO 18 12.483 2.756 10.639 151 HD2 PRO 18 2HD PRO 18 10.641 1.916 8.442 152 HD3 PRO 18 1HD PRO 18 10.334 2.994 9.820 153 H GLN 19 H GLN 19 14.910 5.201 7.209 154 HA GLN 19 HA GLN 19 14.112 5.158 4.452 155 HB2 GLN 19 2HB GLN 19 15.920 6.553 4.009 156 HB3 GLN 19 1HB GLN 19 15.488 6.982 5.657 157 HG2 GLN 19 2HG GLN 19 17.536 6.516 6.347 158 HG3 GLN 19 1HG GLN 19 17.407 4.871 5.710 159 HE21 GLN 19 1HE2 GLN 19 18.179 4.421 3.649 160 HE22 GLN 19 2HE2 GLN 19 19.252 5.496 2.810 161 H GLU 20 H GLU 20 15.781 3.072 6.511 162 HA GLU 20 HA GLU 20 17.385 1.545 4.850 163 HB2 GLU 20 2HB GLU 20 15.410 0.371 6.812 164 HB3 GLU 20 1HB GLU 20 16.966 -0.289 6.337 165 HG2 GLU 20 2HG GLU 20 18.134 1.425 7.533 166 HG3 GLU 20 1HG GLU 20 16.629 2.279 7.864 167 H TRP 21 H TRP 21 13.893 1.567 5.267 168 HA TRP 21 HA TRP 21 13.445 -0.484 3.301 169 HB2 TRP 21 2HB TRP 21 11.622 1.347 4.849 170 HB3 TRP 21 1HB TRP 21 11.021 0.282 3.584 171 HD1 TRP 21 HD TRP 21 13.339 -1.999 4.826 172 HE1 TRP 21 1HE TRP 21 12.410 -3.438 6.756 173 HE3 TRP 21 3HE TRP 21 9.393 0.916 6.139 174 HZ2 TRP 21 2HZ TRP 21 10.249 -3.320 8.599 175 HZ3 TRP 21 3HZ TRP 21 7.938 0.205 7.975 176 HH2 TRP 21 HH TRP 21 8.347 -1.861 9.162 177 H HIS 22 H HIS 22 13.302 3.042 3.466 178 HA HIS 22 HA HIS 22 12.153 3.516 0.959 179 HB2 HIS 22 2HB HIS 22 14.171 5.080 2.560 180 HB3 HIS 22 1HB HIS 22 13.628 5.638 0.979 181 HD1 HIS 22 1HD HIS 22 11.467 6.899 0.895 182 HD2 HIS 22 2HD HIS 22 12.031 4.926 4.518 183 HE1 HIS 22 1HE HIS 22 9.608 7.686 2.399 184 HE2 HIS 22 2HE HIS 22 10.013 6.538 4.605 185 H ASP 23 H ASP 23 15.463 2.745 1.859 186 HA ASP 23 HA ASP 23 16.688 2.988 -0.646 187 HB2 ASP 23 2HB ASP 23 17.914 2.684 1.480 188 HB3 ASP 23 1HB ASP 23 17.322 1.030 1.577 189 H ARG 24 H ARG 24 15.435 0.014 0.921 190 HA ARG 24 HA ARG 24 15.977 -1.560 -1.415 191 HB2 ARG 24 2HB ARG 24 14.564 -2.136 1.180 192 HB3 ARG 24 1HB ARG 24 14.558 -3.301 -0.132 193 HG2 ARG 24 2HG ARG 24 16.280 -3.910 1.384 194 HG3 ARG 24 1HG ARG 24 17.045 -3.282 -0.077 195 HD2 ARG 24 2HD ARG 24 17.656 -1.281 0.967 196 HD3 ARG 24 1HD ARG 24 16.527 -1.527 2.301 197 HE ARG 24 HE ARG 24 18.288 -3.634 2.449 198 HH11 ARG 24 1HH1 ARG 24 18.590 -0.144 2.469 199 HH12 ARG 24 2HH1 ARG 24 19.960 -0.135 3.534 200 HH21 ARG 24 1HH2 ARG 24 20.087 -3.627 3.876 201 HH22 ARG 24 2HH2 ARG 24 20.815 -2.113 4.322 202 H LEU 25 H LEU 25 13.011 -0.255 0.019 203 HA LEU 25 HA LEU 25 11.244 -1.644 -1.670 204 HB2 LEU 25 2HB LEU 25 10.896 0.908 -0.111 205 HB3 LEU 25 1HB LEU 25 9.596 0.151 -1.013 206 HG LEU 25 HG LEU 25 11.078 -1.057 1.324 207 HD11 LEU 25 1HD1 LEU 25 9.562 0.710 1.981 208 HD12 LEU 25 2HD1 LEU 25 8.910 -0.859 2.453 209 HD13 LEU 25 3HD1 LEU 25 8.263 -0.025 1.041 210 HD21 LEU 25 3HD2 LEU 25 10.446 -2.774 -0.283 211 HD22 LEU 25 1HD2 LEU 25 8.794 -2.157 -0.314 212 HD23 LEU 25 2HD2 LEU 25 9.439 -2.872 1.162 213 H MET 26 H MET 26 12.562 1.673 -1.906 214 HA MET 26 HA MET 26 11.210 2.227 -4.336 215 HB2 MET 26 2HB MET 26 13.567 3.518 -2.992 216 HB3 MET 26 1HB MET 26 12.974 4.062 -4.559 217 HG2 MET 26 2HG MET 26 11.337 3.922 -2.039 218 HG3 MET 26 1HG MET 26 12.079 5.379 -2.694 219 HE1 MET 26 3HE MET 26 10.125 5.820 -6.075 220 HE2 MET 26 1HE MET 26 11.649 4.968 -5.835 221 HE3 MET 26 2HE MET 26 11.356 6.499 -5.009 222 H GLU 27 H GLU 27 14.257 0.666 -3.621 223 HA GLU 27 HA GLU 27 15.254 0.703 -6.267 224 HB2 GLU 27 2HB GLU 27 16.696 0.183 -4.365 225 HB3 GLU 27 1HB GLU 27 15.755 -1.256 -4.017 226 HG2 GLU 27 2HG GLU 27 16.860 -1.150 -6.723 227 HG3 GLU 27 1HG GLU 27 18.061 -1.199 -5.432 228 H ILE 28 H ILE 28 13.435 -1.755 -4.462 229 HA ILE 28 HA ILE 28 12.956 -3.490 -6.632 230 HB ILE 28 HB ILE 28 11.155 -2.969 -4.255 231 HG12 ILE 28 2HG1 ILE 28 13.343 -5.038 -4.572 232 HG13 ILE 28 1HG1 ILE 28 13.481 -3.564 -3.618 233 HG21 ILE 28 1HG2 ILE 28 10.019 -4.184 -6.017 234 HG22 ILE 28 2HG2 ILE 28 10.344 -5.254 -4.651 235 HG23 ILE 28 3HG2 ILE 28 11.346 -5.343 -6.100 236 HD11 ILE 28 3HD1 ILE 28 11.544 -5.815 -3.119 237 HD12 ILE 28 1HD1 ILE 28 11.677 -4.339 -2.165 238 HD13 ILE 28 2HD1 ILE 28 13.018 -5.485 -2.208 239 H ALA 29 H ALA 29 11.395 -0.582 -5.519 240 HA ALA 29 HA ALA 29 9.009 -0.748 -7.001 241 HB1 ALA 29 1HB ALA 29 8.734 1.605 -6.496 242 HB2 ALA 29 2HB ALA 29 10.427 1.724 -6.021 243 HB3 ALA 29 3HB ALA 29 9.314 0.739 -5.072 244 H LYS 30 H LYS 30 12.209 0.299 -7.836 245 HA LYS 30 HA LYS 30 11.467 1.683 -10.233 246 HB2 LYS 30 2HB LYS 30 13.643 1.916 -8.875 247 HB3 LYS 30 1HB LYS 30 14.117 0.393 -9.635 248 HG2 LYS 30 2HG LYS 30 14.149 1.359 -11.785 249 HG3 LYS 30 1HG LYS 30 13.350 2.827 -11.221 250 HD2 LYS 30 2HD LYS 30 15.713 3.247 -11.538 251 HD3 LYS 30 1HD LYS 30 15.314 3.332 -9.823 252 HE2 LYS 30 2HE LYS 30 16.129 1.007 -9.564 253 HE3 LYS 30 1HE LYS 30 16.612 1.020 -11.260 254 HZ1 LYS 30 3HZ LYS 30 17.643 2.862 -9.169 255 HZ2 LYS 30 1HZ LYS 30 18.139 2.813 -10.790 256 HZ3 LYS 30 2HZ LYS 30 18.460 1.503 -9.768 257 H GLU 31 H GLU 31 12.734 -1.440 -9.356 258 HA GLU 31 HA GLU 31 12.983 -2.518 -11.923 259 HB2 GLU 31 2HB GLU 31 14.123 -3.373 -9.927 260 HB3 GLU 31 1HB GLU 31 12.584 -3.890 -9.262 261 HG2 GLU 31 2HG GLU 31 12.337 -5.544 -10.981 262 HG3 GLU 31 1HG GLU 31 13.779 -4.951 -11.810 263 H LYS 32 H LYS 32 10.309 -2.444 -9.642 264 HA LYS 32 HA LYS 32 8.719 -4.252 -11.294 265 HB2 LYS 32 2HB LYS 32 8.618 -3.319 -8.482 266 HB3 LYS 32 1HB LYS 32 7.084 -3.705 -9.241 267 HG2 LYS 32 2HG LYS 32 7.977 -5.596 -7.995 268 HG3 LYS 32 1HG LYS 32 7.855 -5.954 -9.715 269 HD2 LYS 32 2HD LYS 32 10.202 -5.727 -10.017 270 HD3 LYS 32 1HD LYS 32 10.406 -5.041 -8.402 271 HE2 LYS 32 2HE LYS 32 9.870 -7.122 -7.369 272 HE3 LYS 32 1HE LYS 32 9.361 -7.820 -8.905 273 HZ1 LYS 32 3HZ LYS 32 11.656 -8.430 -8.007 274 HZ2 LYS 32 1HZ LYS 32 12.140 -6.882 -8.501 275 HZ3 LYS 32 2HZ LYS 32 11.546 -7.988 -9.643 276 H ASN 33 H ASN 33 9.194 -0.964 -11.145 277 HA ASN 33 HA ASN 33 8.108 0.850 -11.994 278 HB2 ASN 33 2HB ASN 33 6.416 -1.318 -13.226 279 HB3 ASN 33 1HB ASN 33 6.027 0.382 -13.453 280 HD21 ASN 33 1HD2 ASN 33 9.313 -0.785 -13.203 281 HD22 ASN 33 2HD2 ASN 33 9.746 -0.495 -14.853 282 H LEU 34 H LEU 34 7.687 0.269 -9.422 283 HA LEU 34 HA LEU 34 4.895 1.059 -8.906 284 HB2 LEU 34 2HB LEU 34 6.609 -0.848 -7.296 285 HB3 LEU 34 1HB LEU 34 5.041 -0.241 -6.787 286 HG LEU 34 HG LEU 34 5.524 -1.963 -9.225 287 HD11 LEU 34 1HD1 LEU 34 4.440 -3.732 -7.936 288 HD12 LEU 34 2HD1 LEU 34 4.355 -2.667 -6.534 289 HD13 LEU 34 3HD1 LEU 34 5.924 -3.186 -7.150 290 HD21 LEU 34 3HD2 LEU 34 2.973 -1.027 -7.914 291 HD22 LEU 34 1HD2 LEU 34 3.086 -2.158 -9.263 292 HD23 LEU 34 2HD2 LEU 34 3.603 -0.486 -9.471 293 H THR 35 H THR 35 4.716 2.170 -6.710 294 HA THR 35 HA THR 35 7.262 3.480 -6.009 295 HB THR 35 HB THR 35 5.946 5.186 -4.837 296 HG1 THR 35 1HG THR 35 3.661 3.834 -5.917 297 HG21 THR 35 3HG2 THR 35 4.971 6.285 -6.791 298 HG22 THR 35 1HG2 THR 35 5.026 4.763 -7.681 299 HG23 THR 35 2HG2 THR 35 6.525 5.550 -7.187 300 H LEU 36 H LEU 36 7.585 3.862 -3.623 301 HA LEU 36 HA LEU 36 7.361 1.497 -2.145 302 HB2 LEU 36 2HB LEU 36 8.209 2.683 -0.282 303 HB3 LEU 36 1HB LEU 36 8.975 3.362 -1.701 304 HG LEU 36 HG LEU 36 6.644 4.649 -0.271 305 HD11 LEU 36 1HD1 LEU 36 9.593 5.243 -0.069 306 HD12 LEU 36 2HD1 LEU 36 8.591 4.521 1.190 307 HD13 LEU 36 3HD1 LEU 36 8.295 6.181 0.670 308 HD21 LEU 36 3HD2 LEU 36 6.824 5.363 -2.578 309 HD22 LEU 36 1HD2 LEU 36 8.548 5.683 -2.374 310 HD23 LEU 36 2HD2 LEU 36 7.361 6.659 -1.509 311 H SER 37 H SER 37 5.293 4.333 -2.273 312 HA SER 37 HA SER 37 3.522 3.733 -0.217 313 HB2 SER 37 2HB SER 37 2.867 5.006 -2.887 314 HB3 SER 37 1HB SER 37 1.945 5.171 -1.393 315 HG SER 37 HG SER 37 3.168 6.911 -1.287 316 H ASP 38 H ASP 38 3.550 2.688 -3.600 317 HA ASP 38 HA ASP 38 1.123 1.266 -3.557 318 HB2 ASP 38 2HB ASP 38 3.582 0.947 -5.277 319 HB3 ASP 38 1HB ASP 38 2.121 -0.007 -5.514 320 H VAL 39 H VAL 39 4.472 0.159 -3.128 321 HA VAL 39 HA VAL 39 3.842 -2.564 -2.742 322 HB VAL 39 HB VAL 39 6.214 -1.058 -1.616 323 HG11 VAL 39 1HG1 VAL 39 7.341 -3.249 -1.739 324 HG12 VAL 39 2HG1 VAL 39 5.810 -3.986 -2.214 325 HG13 VAL 39 3HG1 VAL 39 5.976 -3.246 -0.622 326 HG21 VAL 39 3HG2 VAL 39 5.985 -0.707 -4.031 327 HG22 VAL 39 1HG2 VAL 39 5.935 -2.453 -4.278 328 HG23 VAL 39 2HG2 VAL 39 7.397 -1.691 -3.648 329 H CYS 40 H CYS 40 3.965 0.153 -0.485 330 HA CYS 40 HA CYS 40 3.899 -1.496 1.831 331 HB2 CYS 40 2HB CYS 40 4.665 0.988 1.593 332 HB3 CYS 40 1HB CYS 40 2.966 1.364 1.832 333 HG CYS 40 HG CYS 40 3.740 -0.690 4.186 334 H ARG 41 H ARG 41 1.297 0.557 0.414 335 HA ARG 41 HA ARG 41 -0.732 -0.599 1.902 336 HB2 ARG 41 2HB ARG 41 -2.276 0.236 0.135 337 HB3 ARG 41 1HB ARG 41 -1.172 1.441 0.768 338 HG2 ARG 41 2HG ARG 41 -1.014 1.934 -1.427 339 HG3 ARG 41 1HG ARG 41 0.248 0.709 -1.341 340 HD2 ARG 41 2HD ARG 41 -1.280 -0.976 -2.165 341 HD3 ARG 41 1HD ARG 41 -2.606 0.193 -2.161 342 HE ARG 41 HE ARG 41 -0.415 1.102 -3.734 343 HH11 ARG 41 1HH1 ARG 41 -3.201 -1.033 -3.807 344 HH12 ARG 41 2HH1 ARG 41 -3.315 -1.011 -5.538 345 HH21 ARG 41 1HH2 ARG 41 -0.578 1.133 -6.005 346 HH22 ARG 41 2HH2 ARG 41 -1.819 0.186 -6.784 347 H LEU 42 H LEU 42 0.684 -1.699 -1.182 348 HA LEU 42 HA LEU 42 -1.174 -3.817 -1.561 349 HB2 LEU 42 2HB LEU 42 1.658 -3.435 -2.518 350 HB3 LEU 42 1HB LEU 42 0.705 -4.845 -2.937 351 HG LEU 42 HG LEU 42 -0.019 -1.993 -3.612 352 HD11 LEU 42 1HD1 LEU 42 1.924 -2.765 -4.866 353 HD12 LEU 42 2HD1 LEU 42 0.513 -2.638 -5.915 354 HD13 LEU 42 3HD1 LEU 42 1.049 -4.218 -5.346 355 HD21 LEU 42 3HD2 LEU 42 -1.749 -3.021 -5.008 356 HD22 LEU 42 1HD2 LEU 42 -1.975 -3.422 -3.307 357 HD23 LEU 42 2HD2 LEU 42 -1.288 -4.615 -4.409 358 H ALA 43 H ALA 43 1.578 -3.375 0.454 359 HA ALA 43 HA ALA 43 1.927 -6.081 1.187 360 HB1 ALA 43 1HB ALA 43 3.217 -5.217 3.057 361 HB2 ALA 43 2HB ALA 43 2.633 -3.590 2.707 362 HB3 ALA 43 3HB ALA 43 3.668 -4.424 1.548 363 H ILE 44 H ILE 44 -0.111 -3.442 2.282 364 HA ILE 44 HA ILE 44 -1.147 -4.714 4.601 365 HB ILE 44 HB ILE 44 -2.532 -2.670 2.843 366 HG12 ILE 44 2HG1 ILE 44 -0.767 -2.282 5.274 367 HG13 ILE 44 1HG1 ILE 44 -0.386 -1.801 3.622 368 HG21 ILE 44 1HG2 ILE 44 -4.027 -3.871 4.363 369 HG22 ILE 44 2HG2 ILE 44 -3.861 -2.178 4.821 370 HG23 ILE 44 3HG2 ILE 44 -3.000 -3.424 5.726 371 HD11 ILE 44 3HD1 ILE 44 -2.224 -0.199 3.655 372 HD12 ILE 44 1HD1 ILE 44 -1.081 0.106 4.962 373 HD13 ILE 44 2HD1 ILE 44 -2.623 -0.682 5.303 374 H LYS 45 H LYS 45 -2.152 -4.506 1.233 375 HA LYS 45 HA LYS 45 -4.476 -6.026 1.399 376 HB2 LYS 45 2HB LYS 45 -3.944 -4.797 -0.618 377 HB3 LYS 45 1HB LYS 45 -2.494 -5.760 -0.868 378 HG2 LYS 45 2HG LYS 45 -3.855 -7.737 -1.246 379 HG3 LYS 45 1HG LYS 45 -5.319 -6.796 -0.959 380 HD2 LYS 45 2HD LYS 45 -4.874 -5.433 -2.900 381 HD3 LYS 45 1HD LYS 45 -3.321 -6.237 -3.147 382 HE2 LYS 45 2HE LYS 45 -5.993 -7.629 -3.214 383 HE3 LYS 45 1HE LYS 45 -5.137 -7.053 -4.643 384 HZ1 LYS 45 3HZ LYS 45 -3.338 -8.545 -4.185 385 HZ2 LYS 45 1HZ LYS 45 -4.784 -9.433 -4.183 386 HZ3 LYS 45 2HZ LYS 45 -4.032 -9.030 -2.718 387 H GLU 46 H GLU 46 -1.106 -6.997 1.017 388 HA GLU 46 HA GLU 46 -1.642 -9.775 0.658 389 HB2 GLU 46 2HB GLU 46 0.511 -8.308 0.156 390 HB3 GLU 46 1HB GLU 46 0.938 -8.772 1.794 391 HG2 GLU 46 2HG GLU 46 1.981 -10.326 0.377 392 HG3 GLU 46 1HG GLU 46 0.599 -11.160 1.087 393 H TYR 47 H TYR 47 -1.003 -7.635 3.329 394 HA TYR 47 HA TYR 47 -0.621 -9.521 5.363 395 HB2 TYR 47 2HB TYR 47 -0.031 -7.155 5.600 396 HB3 TYR 47 1HB TYR 47 -1.730 -6.709 5.495 397 HD1 TYR 47 2HD TYR 47 -3.241 -7.131 7.376 398 HD2 TYR 47 1HD TYR 47 0.906 -8.045 7.627 399 HE1 TYR 47 2HE TYR 47 -3.434 -7.290 9.817 400 HE2 TYR 47 1HE TYR 47 0.729 -8.197 10.071 401 HH TYR 47 HH TYR 47 -0.709 -7.454 11.884 402 H LEU 48 H LEU 48 -3.510 -7.777 4.294 403 HA LEU 48 HA LEU 48 -5.307 -9.028 6.092 404 HB2 LEU 48 2HB LEU 48 -5.922 -7.793 3.405 405 HB3 LEU 48 1HB LEU 48 -7.066 -8.084 4.704 406 HG LEU 48 HG LEU 48 -4.789 -6.100 4.744 407 HD11 LEU 48 1HD1 LEU 48 -6.582 -4.434 4.828 408 HD12 LEU 48 2HD1 LEU 48 -7.779 -5.718 4.661 409 HD13 LEU 48 3HD1 LEU 48 -6.645 -5.395 3.350 410 HD21 LEU 48 3HD2 LEU 48 -5.747 -5.385 6.905 411 HD22 LEU 48 1HD2 LEU 48 -5.102 -7.025 6.958 412 HD23 LEU 48 2HD2 LEU 48 -6.843 -6.765 6.854 413 H ASP 49 H ASP 49 -4.646 -9.528 2.656 414 HA ASP 49 HA ASP 49 -6.580 -11.504 2.226 415 HB2 ASP 49 2HB ASP 49 -5.618 -10.213 0.418 416 HB3 ASP 49 1HB ASP 49 -4.029 -10.892 0.736 417 H ASN 50 H ASN 50 -3.233 -11.778 3.330 418 HA ASN 50 HA ASN 50 -3.241 -14.639 2.984 419 HB2 ASN 50 2HB ASN 50 -1.007 -14.596 3.383 420 HB3 ASN 50 1HB ASN 50 -1.205 -12.878 3.050 421 HD21 ASN 50 1HD2 ASN 50 -0.898 -11.425 4.646 422 HD22 ASN 50 2HD2 ASN 50 -0.287 -11.833 6.220 423 H HIS 51 H HIS 51 -4.318 -12.480 5.383 424 HA HIS 51 HA HIS 51 -4.326 -14.537 7.460 425 HB2 HIS 51 2HB HIS 51 -5.118 -11.627 7.467 426 HB3 HIS 51 1HB HIS 51 -5.501 -12.703 8.808 427 HD1 HIS 51 1HD HIS 51 -3.891 -10.787 10.016 428 HD2 HIS 51 2HD HIS 51 -2.066 -13.621 7.573 429 HE1 HIS 51 1HE HIS 51 -1.451 -10.748 10.628 430 HE2 HIS 51 2HE HIS 51 -0.396 -12.571 9.245 431 H ASP 52 H ASP 52 -6.678 -12.460 5.777 432 HA ASP 52 HA ASP 52 -8.785 -14.388 6.389 433 HB2 ASP 52 2HB ASP 52 -8.832 -11.649 5.119 434 HB3 ASP 52 1HB ASP 52 -10.247 -12.695 5.182 435 H LYS 53 H LYS 53 -7.753 -16.001 5.178 436 HA LYS 53 HA LYS 53 -7.157 -15.640 2.392 437 HB2 LYS 53 2HB LYS 53 -5.850 -17.013 4.054 438 HB3 LYS 53 1HB LYS 53 -7.171 -18.165 4.045 439 HG2 LYS 53 2HG LYS 53 -6.794 -18.567 1.654 440 HG3 LYS 53 1HG LYS 53 -5.440 -17.431 1.693 441 HD2 LYS 53 2HD LYS 53 -5.684 -20.010 3.245 442 HD3 LYS 53 1HD LYS 53 -4.589 -19.687 1.899 443 HE2 LYS 53 2HE LYS 53 -3.297 -18.187 3.170 444 HE3 LYS 53 1HE LYS 53 -4.536 -18.046 4.412 445 HZ1 LYS 53 3HZ LYS 53 -2.767 -19.401 5.223 446 HZ2 LYS 53 1HZ LYS 53 -2.830 -20.419 3.868 447 HZ3 LYS 53 2HZ LYS 53 -4.115 -20.397 4.979 448 H GLN 54 H GLN 54 -9.127 -18.081 4.075 449 HA GLN 54 HA GLN 54 -10.644 -18.488 1.618 450 HB2 GLN 54 2HB GLN 54 -10.618 -20.051 4.201 451 HB3 GLN 54 1HB GLN 54 -11.474 -20.511 2.738 452 HG2 GLN 54 2HG GLN 54 -8.492 -20.218 2.994 453 HG3 GLN 54 1HG GLN 54 -9.382 -21.742 3.004 454 HE21 GLN 54 1HE2 GLN 54 -10.217 -22.539 1.093 455 HE22 GLN 54 2HE2 GLN 54 -9.785 -21.897 -0.457 456 H LYS 55 H LYS 55 -10.919 -16.386 3.995 457 HA LYS 55 HA LYS 55 -13.845 -16.644 4.175 458 HB2 LYS 55 2HB LYS 55 -11.938 -15.525 6.239 459 HB3 LYS 55 1HB LYS 55 -13.690 -15.472 6.362 460 HG2 LYS 55 2HG LYS 55 -13.757 -17.921 6.372 461 HG3 LYS 55 1HG LYS 55 -11.997 -17.961 6.264 462 HD2 LYS 55 2HD LYS 55 -12.666 -18.292 8.559 463 HD3 LYS 55 1HD LYS 55 -11.871 -16.726 8.398 464 HE2 LYS 55 2HE LYS 55 -13.821 -16.519 9.814 465 HE3 LYS 55 1HE LYS 55 -14.079 -15.638 8.309 466 HZ1 LYS 55 3HZ LYS 55 -15.113 -18.368 8.862 467 HZ2 LYS 55 1HZ LYS 55 -15.449 -17.419 7.497 468 HZ3 LYS 55 2HZ LYS 55 -16.017 -16.946 9.025 469 H LYS 56 H LYS 56 -14.271 -15.339 2.410 470 HA LYS 56 HA LYS 56 -13.966 -12.485 3.006 471 HB2 LYS 56 2HB LYS 56 -13.421 -13.793 0.337 472 HB3 LYS 56 1HB LYS 56 -13.709 -12.071 0.521 473 HG2 LYS 56 2HG LYS 56 -11.736 -12.004 2.070 474 HG3 LYS 56 1HG LYS 56 -11.410 -13.677 1.606 475 HD2 LYS 56 2HD LYS 56 -11.222 -13.005 -0.732 476 HD3 LYS 56 1HD LYS 56 -11.590 -11.336 -0.295 477 HE2 LYS 56 2HE LYS 56 -9.230 -11.515 -0.579 478 HE3 LYS 56 1HE LYS 56 -9.554 -11.340 1.145 479 HZ1 LYS 56 3HZ LYS 56 -9.194 -13.997 -0.107 480 HZ2 LYS 56 1HZ LYS 56 -9.068 -13.578 1.532 481 HZ3 LYS 56 2HZ LYS 56 -7.871 -13.080 0.433 482 H1 GLY 2 1HT GLY 2 22.388 5.527 15.147 483 H2 GLY 2 2HT GLY 2 21.522 6.188 16.447 484 H3 GLY 2 3HT GLY 2 22.897 5.238 16.741 485 HA2 GLY 2 1HA GLY 2 23.397 7.575 17.042 486 HA3 GLY 2 2HA GLY 2 24.305 6.892 15.698 487 H ARG 3 H ARG 3 24.403 9.305 15.258 488 HA ARG 3 HA ARG 3 22.000 10.389 14.013 489 HB2 ARG 3 2HB ARG 3 24.779 11.531 14.366 490 HB3 ARG 3 1HB ARG 3 23.458 12.383 13.582 491 HG2 ARG 3 2HG ARG 3 23.460 11.437 16.437 492 HG3 ARG 3 1HG ARG 3 23.789 13.086 15.904 493 HD2 ARG 3 2HD ARG 3 21.549 13.224 14.941 494 HD3 ARG 3 1HD ARG 3 21.221 11.568 15.455 495 HE ARG 3 HE ARG 3 22.016 13.176 17.657 496 HH11 ARG 3 1HH1 ARG 3 19.271 12.620 15.541 497 HH12 ARG 3 2HH1 ARG 3 18.091 13.053 16.741 498 HH21 ARG 3 1HH2 ARG 3 20.474 13.737 19.240 499 HH22 ARG 3 2HH2 ARG 3 18.778 13.675 18.849 500 HA PRO 4 HA PRO 4 23.589 8.867 10.081 501 HB2 PRO 4 2HB PRO 4 20.966 9.040 9.005 502 HB3 PRO 4 1HB PRO 4 21.794 7.585 9.557 503 HG2 PRO 4 2HG PRO 4 19.543 8.724 10.744 504 HG3 PRO 4 1HG PRO 4 20.622 7.539 11.499 505 HD2 PRO 4 2HD PRO 4 20.529 10.502 11.825 506 HD3 PRO 4 1HD PRO 4 20.909 9.243 13.021 507 H TYR 5 H TYR 5 23.174 9.742 7.778 508 HA TYR 5 HA TYR 5 23.324 12.650 7.868 509 HB2 TYR 5 2HB TYR 5 23.488 10.805 5.471 510 HB3 TYR 5 1HB TYR 5 23.949 12.502 5.522 511 HD1 TYR 5 1HD TYR 5 25.983 13.189 6.767 512 HD2 TYR 5 2HD TYR 5 24.954 9.101 6.219 513 HE1 TYR 5 1HE TYR 5 28.286 12.538 7.338 514 HE2 TYR 5 2HE TYR 5 27.244 8.435 6.790 515 HH TYR 5 HH TYR 5 29.512 9.426 6.762 516 H LYS 6 H LYS 6 20.995 10.333 7.584 517 HA LYS 6 HA LYS 6 19.320 11.748 5.664 518 HB2 LYS 6 2HB LYS 6 18.740 9.160 7.109 519 HB3 LYS 6 1HB LYS 6 17.944 9.779 5.668 520 HG2 LYS 6 2HG LYS 6 20.786 8.812 5.886 521 HG3 LYS 6 1HG LYS 6 19.443 8.009 5.067 522 HD2 LYS 6 2HD LYS 6 19.291 9.883 3.492 523 HD3 LYS 6 1HD LYS 6 20.643 10.673 4.306 524 HE2 LYS 6 2HE LYS 6 22.062 8.728 3.763 525 HE3 LYS 6 1HE LYS 6 20.712 8.014 2.885 526 HZ1 LYS 6 3HZ LYS 6 20.727 9.941 1.401 527 HZ2 LYS 6 1HZ LYS 6 22.219 9.129 1.382 528 HZ3 LYS 6 2HZ LYS 6 22.056 10.581 2.239 529 H LEU 7 H LEU 7 16.824 11.256 6.484 530 HA LEU 7 HA LEU 7 16.582 13.228 8.597 531 HB2 LEU 7 2HB LEU 7 15.313 13.382 6.450 532 HB3 LEU 7 1HB LEU 7 14.429 11.942 6.915 533 HG LEU 7 HG LEU 7 13.573 13.172 8.911 534 HD11 LEU 7 1HD1 LEU 7 14.838 15.548 7.559 535 HD12 LEU 7 2HD1 LEU 7 15.349 14.831 9.087 536 HD13 LEU 7 3HD1 LEU 7 13.765 15.597 8.957 537 HD21 LEU 7 3HD2 LEU 7 11.958 14.520 7.662 538 HD22 LEU 7 1HD2 LEU 7 12.231 12.961 6.886 539 HD23 LEU 7 2HD2 LEU 7 12.978 14.416 6.228 540 H LEU 8 H LEU 8 17.469 11.461 10.055 541 HA LEU 8 HA LEU 8 17.199 10.106 11.855 542 HB2 LEU 8 2HB LEU 8 14.470 11.361 11.701 543 HB3 LEU 8 1HB LEU 8 14.891 10.225 12.966 544 HG LEU 8 HG LEU 8 15.128 12.432 13.844 545 HD11 LEU 8 1HD1 LEU 8 17.857 11.332 13.210 546 HD12 LEU 8 2HD1 LEU 8 16.812 10.812 14.532 547 HD13 LEU 8 3HD1 LEU 8 17.460 12.452 14.512 548 HD21 LEU 8 3HD2 LEU 8 16.635 14.097 12.874 549 HD22 LEU 8 1HD2 LEU 8 15.327 13.674 11.767 550 HD23 LEU 8 2HD2 LEU 8 16.945 13.020 11.511 551 H ASN 9 H ASN 9 16.718 8.989 9.211 552 HA ASN 9 HA ASN 9 16.018 7.093 8.184 553 HB2 ASN 9 2HB ASN 9 17.347 6.154 10.107 554 HB3 ASN 9 1HB ASN 9 15.832 5.954 10.982 555 HD21 ASN 9 1HD2 ASN 9 16.075 3.734 11.093 556 HD22 ASN 9 2HD2 ASN 9 15.873 2.706 9.718 557 H GLY 10 H GLY 10 14.039 8.852 8.328 558 HA2 GLY 10 2HA GLY 10 11.694 7.159 8.349 559 HA3 GLY 10 1HA GLY 10 11.671 8.459 9.537 560 H ILE 11 H ILE 11 10.965 7.604 6.394 561 HA ILE 11 HA ILE 11 11.153 10.388 5.426 562 HB ILE 11 HB ILE 11 11.261 7.878 3.738 563 HG12 ILE 11 2HG1 ILE 11 13.243 7.998 5.158 564 HG13 ILE 11 1HG1 ILE 11 13.660 8.326 3.479 565 HG21 ILE 11 1HG2 ILE 11 11.848 10.749 3.037 566 HG22 ILE 11 2HG2 ILE 11 10.441 9.818 2.523 567 HG23 ILE 11 3HG2 ILE 11 12.050 9.365 1.960 568 HD11 ILE 11 3HD1 ILE 11 14.843 9.828 4.960 569 HD12 ILE 11 1HD1 ILE 11 13.318 10.386 5.651 570 HD13 ILE 11 2HD1 ILE 11 13.698 10.724 3.963 571 H LYS 12 H LYS 12 9.514 10.951 3.766 572 HA LYS 12 HA LYS 12 6.913 10.053 4.780 573 HB2 LYS 12 2HB LYS 12 7.937 12.541 4.540 574 HB3 LYS 12 1HB LYS 12 7.173 12.394 2.968 575 HG2 LYS 12 2HG LYS 12 5.860 12.257 5.668 576 HG3 LYS 12 1HG LYS 12 5.663 13.498 4.434 577 HD2 LYS 12 2HD LYS 12 4.716 11.671 2.951 578 HD3 LYS 12 1HD LYS 12 4.668 10.659 4.398 579 HE2 LYS 12 2HE LYS 12 3.184 13.217 3.856 580 HE3 LYS 12 1HE LYS 12 2.521 11.622 4.206 581 HZ1 LYS 12 3HZ LYS 12 2.449 13.256 6.080 582 HZ2 LYS 12 1HZ LYS 12 4.134 13.171 6.149 583 HZ3 LYS 12 2HZ LYS 12 3.206 11.787 6.457 584 H LEU 13 H LEU 13 5.706 8.785 3.564 585 HA LEU 13 HA LEU 13 5.992 8.905 0.640 586 HB2 LEU 13 2HB LEU 13 5.381 6.441 0.666 587 HB3 LEU 13 1HB LEU 13 7.004 6.857 1.171 588 HG LEU 13 HG LEU 13 4.866 6.462 3.239 589 HD11 LEU 13 1HD1 LEU 13 4.728 4.488 1.826 590 HD12 LEU 13 2HD1 LEU 13 5.495 4.091 3.364 591 HD13 LEU 13 3HD1 LEU 13 6.478 4.284 1.912 592 HD21 LEU 13 3HD2 LEU 13 7.016 7.382 3.953 593 HD22 LEU 13 1HD2 LEU 13 7.855 6.019 3.201 594 HD23 LEU 13 2HD2 LEU 13 6.797 5.747 4.585 595 H GLY 14 H GLY 14 4.154 8.989 -0.514 596 HA2 GLY 14 2HA GLY 14 1.695 9.293 1.066 597 HA3 GLY 14 1HA GLY 14 2.005 10.030 -0.498 598 H VAL 15 H VAL 15 0.234 7.760 0.984 599 HA VAL 15 HA VAL 15 0.223 5.925 -1.324 600 HB VAL 15 HB VAL 15 -1.041 5.438 1.380 601 HG11 VAL 15 1HG1 VAL 15 -1.914 4.055 -0.421 602 HG12 VAL 15 2HG1 VAL 15 -0.971 3.086 0.711 603 HG13 VAL 15 3HG1 VAL 15 -0.278 3.549 -0.843 604 HG21 VAL 15 3HG2 VAL 15 0.918 4.075 1.934 605 HG22 VAL 15 1HG2 VAL 15 1.344 5.770 1.704 606 HG23 VAL 15 2HG2 VAL 15 1.697 4.594 0.440 607 H TYR 16 H TYR 16 -1.923 5.203 -2.079 608 HA TYR 16 HA TYR 16 -4.120 7.037 -1.432 609 HB2 TYR 16 2HB TYR 16 -2.680 7.146 -3.817 610 HB3 TYR 16 1HB TYR 16 -4.104 6.196 -4.216 611 HD1 TYR 16 2HD TYR 16 -5.007 8.424 -1.637 612 HD2 TYR 16 1HD TYR 16 -4.201 8.308 -5.812 613 HE1 TYR 16 2HE TYR 16 -6.290 10.485 -1.932 614 HE2 TYR 16 1HE TYR 16 -5.488 10.378 -6.115 615 HH TYR 16 HH TYR 16 -7.388 11.568 -4.856 616 H ILE 17 H ILE 17 -5.802 5.855 -0.767 617 HA ILE 17 HA ILE 17 -6.311 3.245 -1.999 618 HB ILE 17 HB ILE 17 -6.644 2.173 0.189 619 HG12 ILE 17 2HG1 ILE 17 -5.450 4.716 1.314 620 HG13 ILE 17 1HG1 ILE 17 -7.120 4.198 1.513 621 HG21 ILE 17 1HG2 ILE 17 -3.896 3.349 -0.178 622 HG22 ILE 17 2HG2 ILE 17 -4.522 1.896 -0.958 623 HG23 ILE 17 3HG2 ILE 17 -4.284 1.925 0.790 624 HD11 ILE 17 3HD1 ILE 17 -5.759 3.764 3.498 625 HD12 ILE 17 1HD1 ILE 17 -4.708 2.719 2.539 626 HD13 ILE 17 2HD1 ILE 17 -6.397 2.277 2.794 627 HA PRO 18 HA PRO 18 -10.538 4.472 -1.914 628 HB2 PRO 18 2HB PRO 18 -11.744 2.056 -1.374 629 HB3 PRO 18 1HB PRO 18 -11.173 2.560 -2.967 630 HG2 PRO 18 2HG PRO 18 -9.859 0.794 -0.948 631 HG3 PRO 18 1HG PRO 18 -9.928 0.625 -2.712 632 HD2 PRO 18 2HD PRO 18 -7.732 1.543 -1.469 633 HD3 PRO 18 1HD PRO 18 -8.237 2.172 -3.054 634 H GLN 19 H GLN 19 -12.448 4.610 -0.599 635 HA GLN 19 HA GLN 19 -11.921 5.118 2.129 636 HB2 GLN 19 2HB GLN 19 -14.306 5.591 2.309 637 HB3 GLN 19 1HB GLN 19 -13.634 6.327 0.858 638 HG2 GLN 19 2HG GLN 19 -14.459 4.273 -0.383 639 HG3 GLN 19 1HG GLN 19 -15.360 3.888 1.079 640 HE21 GLN 19 1HE2 GLN 19 -17.133 5.076 1.641 641 HE22 GLN 19 2HE2 GLN 19 -17.860 6.233 0.573 642 H GLU 20 H GLU 20 -13.339 2.422 0.408 643 HA GLU 20 HA GLU 20 -14.373 0.851 2.432 644 HB2 GLU 20 2HB GLU 20 -12.673 -0.081 0.107 645 HB3 GLU 20 1HB GLU 20 -13.809 -1.068 1.016 646 HG2 GLU 20 2HG GLU 20 -15.631 -0.149 0.009 647 HG3 GLU 20 1HG GLU 20 -14.831 1.393 -0.291 648 H TRP 21 H TRP 21 -11.087 1.447 1.502 649 HA TRP 21 HA TRP 21 -9.863 -0.510 3.180 650 HB2 TRP 21 2HB TRP 21 -9.030 1.687 1.380 651 HB3 TRP 21 1HB TRP 21 -7.910 1.289 2.676 652 HD1 TRP 21 HD TRP 21 -9.895 -1.003 0.201 653 HE1 TRP 21 1HE TRP 21 -8.166 -2.604 -0.865 654 HE3 TRP 21 3HE TRP 21 -5.721 0.711 2.537 655 HZ2 TRP 21 2HZ TRP 21 -5.354 -3.052 -0.701 656 HZ3 TRP 21 3HZ TRP 21 -3.562 -0.332 2.052 657 HH2 TRP 21 HH TRP 21 -3.368 -2.156 0.474 658 H HIS 22 H HIS 22 -9.977 3.046 3.218 659 HA HIS 22 HA HIS 22 -8.630 3.433 5.612 660 HB2 HIS 22 2HB HIS 22 -9.330 5.178 3.875 661 HB3 HIS 22 1HB HIS 22 -10.889 5.215 4.697 662 HD1 HIS 22 1HD HIS 22 -11.044 6.586 6.840 663 HD2 HIS 22 2HD HIS 22 -7.139 6.125 5.456 664 HE1 HIS 22 1HE HIS 22 -9.636 8.145 8.226 665 HE2 HIS 22 2HE HIS 22 -7.273 7.743 7.475 666 H ASP 23 H ASP 23 -12.082 2.965 5.032 667 HA ASP 23 HA ASP 23 -13.012 3.410 7.635 668 HB2 ASP 23 2HB ASP 23 -14.511 3.292 5.726 669 HB3 ASP 23 1HB ASP 23 -14.097 1.600 5.468 670 H ARG 24 H ARG 24 -12.108 0.338 6.043 671 HA ARG 24 HA ARG 24 -12.662 -1.219 8.373 672 HB2 ARG 24 2HB ARG 24 -11.537 -1.718 5.682 673 HB3 ARG 24 1HB ARG 24 -11.048 -2.841 6.942 674 HG2 ARG 24 2HG ARG 24 -12.981 -3.657 5.709 675 HG3 ARG 24 1HG ARG 24 -13.372 -3.369 7.402 676 HD2 ARG 24 2HD ARG 24 -14.467 -1.298 6.841 677 HD3 ARG 24 1HD ARG 24 -13.969 -1.448 5.157 678 HE ARG 24 HE ARG 24 -15.396 -3.747 5.760 679 HH11 ARG 24 1HH1 ARG 24 -16.086 -0.304 5.811 680 HH12 ARG 24 2HH1 ARG 24 -17.731 -0.506 5.301 681 HH21 ARG 24 1HH2 ARG 24 -17.572 -4.008 5.125 682 HH22 ARG 24 2HH2 ARG 24 -18.579 -2.609 4.926 683 H LEU 25 H LEU 25 -9.772 0.252 7.019 684 HA LEU 25 HA LEU 25 -7.902 -1.008 8.717 685 HB2 LEU 25 2HB LEU 25 -7.786 1.659 7.313 686 HB3 LEU 25 1HB LEU 25 -6.431 0.941 8.167 687 HG LEU 25 HG LEU 25 -7.790 -0.166 5.710 688 HD11 LEU 25 1HD1 LEU 25 -6.326 1.727 5.263 689 HD12 LEU 25 2HD1 LEU 25 -5.627 0.228 4.649 690 HD13 LEU 25 3HD1 LEU 25 -5.020 0.937 6.145 691 HD21 LEU 25 3HD2 LEU 25 -7.111 -1.971 7.198 692 HD22 LEU 25 1HD2 LEU 25 -5.492 -1.285 7.306 693 HD23 LEU 25 2HD2 LEU 25 -6.082 -1.912 5.766 694 H MET 26 H MET 26 -9.786 1.966 9.047 695 HA MET 26 HA MET 26 -8.511 2.895 11.371 696 HB2 MET 26 2HB MET 26 -11.300 3.378 10.332 697 HB3 MET 26 1HB MET 26 -10.641 4.189 11.748 698 HG2 MET 26 2HG MET 26 -9.499 4.316 8.967 699 HG3 MET 26 1HG MET 26 -10.481 5.562 9.736 700 HE1 MET 26 3HE MET 26 -9.322 5.357 12.752 701 HE2 MET 26 1HE MET 26 -9.682 6.887 11.951 702 HE3 MET 26 2HE MET 26 -8.111 6.637 12.711 703 H GLU 27 H GLU 27 -11.264 0.696 10.945 704 HA GLU 27 HA GLU 27 -11.855 0.516 13.703 705 HB2 GLU 27 2HB GLU 27 -12.378 -1.370 11.416 706 HB3 GLU 27 1HB GLU 27 -12.898 -1.717 13.060 707 HG2 GLU 27 2HG GLU 27 -13.732 0.618 11.357 708 HG3 GLU 27 1HG GLU 27 -14.718 -0.769 11.819 709 H ILE 28 H ILE 28 -9.739 -1.442 11.631 710 HA ILE 28 HA ILE 28 -8.935 -3.246 13.667 711 HB ILE 28 HB ILE 28 -7.437 -2.441 11.161 712 HG12 ILE 28 2HG1 ILE 28 -9.290 -4.783 11.675 713 HG13 ILE 28 1HG1 ILE 28 -9.706 -3.351 10.738 714 HG21 ILE 28 1HG2 ILE 28 -5.989 -3.510 12.815 715 HG22 ILE 28 2HG2 ILE 28 -6.252 -4.567 11.427 716 HG23 ILE 28 3HG2 ILE 28 -7.114 -4.861 12.938 717 HD11 ILE 28 3HD1 ILE 28 -7.553 -5.338 10.058 718 HD12 ILE 28 1HD1 ILE 28 -7.977 -3.912 9.114 719 HD13 ILE 28 2HD1 ILE 28 -9.140 -5.224 9.300 720 H ALA 29 H ALA 29 -7.666 -0.178 12.512 721 HA ALA 29 HA ALA 29 -5.276 -0.121 13.996 722 HB1 ALA 29 1HB ALA 29 -6.970 2.196 13.070 723 HB2 ALA 29 2HB ALA 29 -5.764 1.355 12.095 724 HB3 ALA 29 3HB ALA 29 -5.267 2.260 13.525 725 H LYS 30 H LYS 30 -8.563 0.749 14.773 726 HA LYS 30 HA LYS 30 -7.915 2.039 17.256 727 HB2 LYS 30 2HB LYS 30 -9.878 2.717 16.019 728 HB3 LYS 30 1HB LYS 30 -10.502 1.075 16.024 729 HG2 LYS 30 2HG LYS 30 -10.807 1.216 18.456 730 HG3 LYS 30 1HG LYS 30 -10.211 2.878 18.419 731 HD2 LYS 30 2HD LYS 30 -12.680 2.758 18.434 732 HD3 LYS 30 1HD LYS 30 -12.044 3.551 16.992 733 HE2 LYS 30 2HE LYS 30 -12.320 1.474 15.726 734 HE3 LYS 30 1HE LYS 30 -12.946 0.674 17.165 735 HZ1 LYS 30 3HZ LYS 30 -14.215 3.039 15.897 736 HZ2 LYS 30 1HZ LYS 30 -14.851 2.086 17.148 737 HZ3 LYS 30 2HZ LYS 30 -14.670 1.436 15.589 738 H GLU 31 H GLU 31 -8.960 -1.099 16.173 739 HA GLU 31 HA GLU 31 -9.469 -2.310 18.655 740 HB2 GLU 31 2HB GLU 31 -10.159 -3.214 16.473 741 HB3 GLU 31 1HB GLU 31 -8.479 -3.523 16.068 742 HG2 GLU 31 2HG GLU 31 -8.346 -5.120 17.933 743 HG3 GLU 31 1HG GLU 31 -10.056 -4.836 18.271 744 H LYS 32 H LYS 32 -6.516 -2.092 16.705 745 HA LYS 32 HA LYS 32 -5.053 -3.657 18.693 746 HB2 LYS 32 2HB LYS 32 -4.735 -3.110 15.815 747 HB3 LYS 32 1HB LYS 32 -3.238 -3.226 16.729 748 HG2 LYS 32 2HG LYS 32 -4.120 -5.357 15.653 749 HG3 LYS 32 1HG LYS 32 -3.652 -5.444 17.352 750 HD2 LYS 32 2HD LYS 32 -6.003 -5.203 18.001 751 HD3 LYS 32 1HD LYS 32 -6.465 -5.128 16.301 752 HE2 LYS 32 2HE LYS 32 -4.954 -7.463 17.429 753 HE3 LYS 32 1HE LYS 32 -6.711 -7.366 17.517 754 HZ1 LYS 32 3HZ LYS 32 -5.934 -8.621 15.587 755 HZ2 LYS 32 1HZ LYS 32 -5.119 -7.250 15.007 756 HZ3 LYS 32 2HZ LYS 32 -6.812 -7.246 15.130 757 H ASN 33 H ASN 33 -5.676 -0.481 18.216 758 HA ASN 33 HA ASN 33 -4.837 1.445 19.065 759 HB2 ASN 33 2HB ASN 33 -3.051 -0.460 20.586 760 HB3 ASN 33 1HB ASN 33 -3.004 1.285 20.814 761 HD21 ASN 33 1HD2 ASN 33 -4.763 -1.631 21.396 762 HD22 ASN 33 2HD2 ASN 33 -5.943 -0.948 22.458 763 H LEU 34 H LEU 34 -4.125 0.998 16.611 764 HA LEU 34 HA LEU 34 -1.373 1.995 16.397 765 HB2 LEU 34 2HB LEU 34 -2.643 -0.147 14.672 766 HB3 LEU 34 1HB LEU 34 -1.110 0.636 14.322 767 HG LEU 34 HG LEU 34 -1.628 -0.991 16.810 768 HD11 LEU 34 1HD1 LEU 34 -1.819 -2.402 14.825 769 HD12 LEU 34 2HD1 LEU 34 -0.346 -2.763 15.724 770 HD13 LEU 34 3HD1 LEU 34 -0.266 -1.806 14.244 771 HD21 LEU 34 3HD2 LEU 34 0.915 0.027 15.549 772 HD22 LEU 34 1HD2 LEU 34 0.808 -0.987 16.987 773 HD23 LEU 34 2HD2 LEU 34 0.162 0.653 17.015 774 H THR 35 H THR 35 -1.071 3.070 14.173 775 HA THR 35 HA THR 35 -3.629 4.278 13.349 776 HB THR 35 HB THR 35 -2.282 6.034 12.244 777 HG1 THR 35 1HG THR 35 -0.086 4.612 13.412 778 HG21 THR 35 3HG2 THR 35 -1.485 7.148 14.275 779 HG22 THR 35 1HG2 THR 35 -1.579 5.622 15.154 780 HG23 THR 35 2HG2 THR 35 -3.050 6.379 14.540 781 H LEU 36 H LEU 36 -3.800 4.747 10.927 782 HA LEU 36 HA LEU 36 -3.616 2.328 9.523 783 HB2 LEU 36 2HB LEU 36 -4.221 3.616 7.506 784 HB3 LEU 36 1HB LEU 36 -5.280 3.909 8.866 785 HG LEU 36 HG LEU 36 -3.044 5.829 8.396 786 HD11 LEU 36 1HD1 LEU 36 -4.427 7.077 6.809 787 HD12 LEU 36 2HD1 LEU 36 -5.609 5.768 6.806 788 HD13 LEU 36 3HD1 LEU 36 -3.987 5.493 6.172 789 HD21 LEU 36 3HD2 LEU 36 -4.427 6.170 10.339 790 HD22 LEU 36 1HD2 LEU 36 -5.895 6.042 9.370 791 HD23 LEU 36 2HD2 LEU 36 -4.810 7.415 9.154 792 H SER 37 H SER 37 -1.496 5.134 9.608 793 HA SER 37 HA SER 37 0.287 4.410 7.584 794 HB2 SER 37 2HB SER 37 0.956 5.782 10.203 795 HB3 SER 37 1HB SER 37 1.903 5.846 8.717 796 HG SER 37 HG SER 37 0.528 7.243 7.876 797 H ASP 38 H ASP 38 0.083 3.408 10.959 798 HA ASP 38 HA ASP 38 2.491 1.931 11.046 799 HB2 ASP 38 2HB ASP 38 -0.045 1.615 12.664 800 HB3 ASP 38 1HB ASP 38 1.451 0.752 12.997 801 H VAL 39 H VAL 39 -0.840 1.036 10.281 802 HA VAL 39 HA VAL 39 -0.446 -1.740 10.092 803 HB VAL 39 HB VAL 39 -2.439 -0.064 8.551 804 HG11 VAL 39 1HG1 VAL 39 -2.210 -2.340 7.690 805 HG12 VAL 39 2HG1 VAL 39 -3.777 -2.103 8.465 806 HG13 VAL 39 3HG1 VAL 39 -2.501 -2.985 9.305 807 HG21 VAL 39 3HG2 VAL 39 -2.606 0.370 10.940 808 HG22 VAL 39 1HG2 VAL 39 -2.694 -1.361 11.265 809 HG23 VAL 39 2HG2 VAL 39 -3.995 -0.563 10.382 810 H CYS 40 H CYS 40 0.046 0.849 7.748 811 HA CYS 40 HA CYS 40 0.364 -0.831 5.498 812 HB2 CYS 40 2HB CYS 40 0.098 1.826 5.775 813 HB3 CYS 40 1HB CYS 40 1.848 1.770 5.582 814 HG CYS 40 HG CYS 40 0.479 -0.097 3.274 815 H ARG 41 H ARG 41 2.952 0.984 7.174 816 HA ARG 41 HA ARG 41 5.066 -0.496 6.224 817 HB2 ARG 41 2HB ARG 41 6.356 0.387 8.162 818 HB3 ARG 41 1HB ARG 41 5.493 1.595 7.230 819 HG2 ARG 41 2HG ARG 41 5.011 2.324 9.319 820 HG3 ARG 41 1HG ARG 41 3.663 1.207 9.105 821 HD2 ARG 41 2HD ARG 41 4.824 -0.506 10.337 822 HD3 ARG 41 1HD ARG 41 6.271 0.503 10.441 823 HE ARG 41 HE ARG 41 3.973 1.777 11.571 824 HH11 ARG 41 1HH1 ARG 41 6.558 -0.488 12.230 825 HH12 ARG 41 2HH1 ARG 41 6.441 -0.306 13.949 826 HH21 ARG 41 1HH2 ARG 41 3.842 2.052 13.821 827 HH22 ARG 41 2HH2 ARG 41 4.887 1.110 14.861 828 H LEU 42 H LEU 42 3.053 -1.302 9.047 829 HA LEU 42 HA LEU 42 4.807 -3.344 9.990 830 HB2 LEU 42 2HB LEU 42 1.860 -2.870 10.399 831 HB3 LEU 42 1HB LEU 42 2.702 -4.230 11.116 832 HG LEU 42 HG LEU 42 3.391 -1.332 11.605 833 HD11 LEU 42 1HD1 LEU 42 1.211 -1.938 12.544 834 HD12 LEU 42 2HD1 LEU 42 2.411 -1.679 13.810 835 HD13 LEU 42 3HD1 LEU 42 1.945 -3.318 13.358 836 HD21 LEU 42 3HD2 LEU 42 4.799 -2.218 13.390 837 HD22 LEU 42 1HD2 LEU 42 5.296 -2.858 11.824 838 HD23 LEU 42 2HD2 LEU 42 4.363 -3.865 12.933 839 H ALA 43 H ALA 43 2.278 -3.188 7.622 840 HA ALA 43 HA ALA 43 1.971 -5.994 7.334 841 HB1 ALA 43 1HB ALA 43 0.201 -4.426 6.756 842 HB2 ALA 43 2HB ALA 43 0.634 -5.439 5.378 843 HB3 ALA 43 3HB ALA 43 1.198 -3.769 5.458 844 H ILE 44 H ILE 44 4.117 -3.594 5.850 845 HA ILE 44 HA ILE 44 4.928 -5.370 3.758 846 HB ILE 44 HB ILE 44 6.918 -3.905 3.461 847 HG12 ILE 44 2HG1 ILE 44 5.608 -2.350 5.684 848 HG13 ILE 44 1HG1 ILE 44 7.242 -3.004 5.655 849 HG21 ILE 44 1HG2 ILE 44 4.234 -2.569 3.432 850 HG22 ILE 44 2HG2 ILE 44 4.912 -3.600 2.169 851 HG23 ILE 44 3HG2 ILE 44 5.656 -2.041 2.529 852 HD11 ILE 44 3HD1 ILE 44 6.207 -0.786 3.900 853 HD12 ILE 44 1HD1 ILE 44 7.840 -1.450 3.871 854 HD13 ILE 44 2HD1 ILE 44 7.259 -0.603 5.305 855 H LYS 45 H LYS 45 6.013 -4.749 7.053 856 HA LYS 45 HA LYS 45 8.312 -6.360 6.892 857 HB2 LYS 45 2HB LYS 45 7.565 -4.880 8.857 858 HB3 LYS 45 1HB LYS 45 6.574 -6.246 9.352 859 HG2 LYS 45 2HG LYS 45 8.515 -7.642 9.597 860 HG3 LYS 45 1HG LYS 45 9.552 -6.376 8.939 861 HD2 LYS 45 2HD LYS 45 8.937 -4.932 10.852 862 HD3 LYS 45 1HD LYS 45 8.004 -6.269 11.524 863 HE2 LYS 45 2HE LYS 45 10.177 -6.168 12.587 864 HE3 LYS 45 1HE LYS 45 10.059 -7.630 11.610 865 HZ1 LYS 45 3HZ LYS 45 12.198 -6.546 11.321 866 HZ2 LYS 45 1HZ LYS 45 11.440 -5.118 10.811 867 HZ3 LYS 45 2HZ LYS 45 11.333 -6.522 9.870 868 H GLU 46 H GLU 46 4.921 -7.128 7.309 869 HA GLU 46 HA GLU 46 5.202 -9.951 7.624 870 HB2 GLU 46 2HB GLU 46 3.127 -8.975 8.282 871 HB3 GLU 46 1HB GLU 46 2.950 -8.131 6.754 872 HG2 GLU 46 2HG GLU 46 1.458 -9.782 6.390 873 HG3 GLU 46 1HG GLU 46 2.901 -10.617 5.825 874 H TYR 47 H TYR 47 4.848 -7.758 4.911 875 HA TYR 47 HA TYR 47 4.380 -9.687 2.926 876 HB2 TYR 47 2HB TYR 47 3.894 -7.213 2.787 877 HB3 TYR 47 1HB TYR 47 5.613 -6.967 2.499 878 HD1 TYR 47 1HD TYR 47 2.501 -8.332 1.117 879 HD2 TYR 47 2HD TYR 47 6.603 -7.511 0.363 880 HE1 TYR 47 1HE TYR 47 2.130 -8.729 -1.279 881 HE2 TYR 47 2HE TYR 47 6.246 -7.908 -2.037 882 HH TYR 47 HH TYR 47 3.152 -8.130 -3.430 883 H LEU 48 H LEU 48 7.332 -8.045 3.967 884 HA LEU 48 HA LEU 48 9.036 -9.205 2.039 885 HB2 LEU 48 2HB LEU 48 9.732 -8.168 4.790 886 HB3 LEU 48 1HB LEU 48 10.863 -8.453 3.483 887 HG LEU 48 HG LEU 48 8.692 -6.358 3.544 888 HD11 LEU 48 1HD1 LEU 48 10.572 -4.786 3.537 889 HD12 LEU 48 2HD1 LEU 48 11.696 -6.142 3.637 890 HD13 LEU 48 3HD1 LEU 48 10.580 -5.821 4.964 891 HD21 LEU 48 3HD2 LEU 48 8.987 -7.239 1.288 892 HD22 LEU 48 1HD2 LEU 48 10.726 -6.973 1.400 893 HD23 LEU 48 2HD2 LEU 48 9.621 -5.598 1.409 894 H ASP 49 H ASP 49 8.220 -10.069 5.357 895 HA ASP 49 HA ASP 49 10.134 -12.097 5.657 896 HB2 ASP 49 2HB ASP 49 8.832 -10.922 7.473 897 HB3 ASP 49 1HB ASP 49 7.476 -11.972 7.073 898 H ASN 50 H ASN 50 6.849 -12.182 4.346 899 HA ASN 50 HA ASN 50 6.855 -15.070 4.257 900 HB2 ASN 50 2HB ASN 50 4.645 -14.999 3.554 901 HB3 ASN 50 1HB ASN 50 4.766 -13.522 4.500 902 HD21 ASN 50 1HD2 ASN 50 4.403 -11.611 3.554 903 HD22 ASN 50 2HD2 ASN 50 3.984 -11.416 1.886 904 H HIS 51 H HIS 51 8.036 -12.576 2.287 905 HA HIS 51 HA HIS 51 7.983 -14.229 -0.119 906 HB2 HIS 51 2HB HIS 51 8.597 -11.369 0.440 907 HB3 HIS 51 1HB HIS 51 9.388 -12.118 -0.943 908 HD1 HIS 51 1HD HIS 51 8.124 -11.938 -3.051 909 HD2 HIS 51 2HD HIS 51 5.610 -11.816 0.266 910 HE1 HIS 51 1HE HIS 51 5.809 -11.548 -3.962 911 HE2 HIS 51 2HE HIS 51 4.289 -11.608 -1.958 912 H ASP 52 H ASP 52 10.334 -12.758 2.092 913 HA ASP 52 HA ASP 52 12.458 -14.397 0.934 914 HB2 ASP 52 2HB ASP 52 12.421 -12.222 3.015 915 HB3 ASP 52 1HB ASP 52 13.826 -13.264 2.800 916 H LYS 53 H LYS 53 11.325 -16.342 1.569 917 HA LYS 53 HA LYS 53 10.657 -17.198 4.081 918 HB2 LYS 53 2HB LYS 53 10.325 -18.512 2.023 919 HB3 LYS 53 1HB LYS 53 12.056 -18.799 1.928 920 HG2 LYS 53 2HG LYS 53 11.895 -19.947 4.146 921 HG3 LYS 53 1HG LYS 53 10.141 -19.821 4.006 922 HD2 LYS 53 2HD LYS 53 11.976 -21.218 2.062 923 HD3 LYS 53 1HD LYS 53 10.948 -22.007 3.258 924 HE2 LYS 53 2HE LYS 53 8.965 -21.119 2.159 925 HE3 LYS 53 1HE LYS 53 9.977 -20.275 0.987 926 HZ1 LYS 53 3HZ LYS 53 9.894 -23.219 1.351 927 HZ2 LYS 53 1HZ LYS 53 10.783 -22.382 0.175 928 HZ3 LYS 53 2HZ LYS 53 9.089 -22.372 0.121 929 H GLN 54 H GLN 54 13.835 -17.689 2.548 930 HA GLN 54 HA GLN 54 15.132 -17.428 5.153 931 HB2 GLN 54 2HB GLN 54 15.554 -19.806 3.328 932 HB3 GLN 54 1HB GLN 54 16.424 -19.490 4.821 933 HG2 GLN 54 2HG GLN 54 14.394 -19.758 6.100 934 HG3 GLN 54 1HG GLN 54 13.461 -19.969 4.621 935 HE21 GLN 54 1HE2 GLN 54 13.676 -21.898 3.457 936 HE22 GLN 54 2HE2 GLN 54 14.331 -23.332 4.168 937 H LYS 55 H LYS 55 14.940 -15.883 2.652 938 HA LYS 55 HA LYS 55 17.715 -16.048 1.684 939 HB2 LYS 55 2HB LYS 55 15.249 -14.991 0.296 940 HB3 LYS 55 1HB LYS 55 16.876 -14.928 -0.368 941 HG2 LYS 55 2HG LYS 55 16.964 -17.391 -0.303 942 HG3 LYS 55 1HG LYS 55 15.296 -17.409 0.273 943 HD2 LYS 55 2HD LYS 55 15.384 -17.797 -2.133 944 HD3 LYS 55 1HD LYS 55 14.576 -16.272 -1.772 945 HE2 LYS 55 2HE LYS 55 16.128 -16.081 -3.672 946 HE3 LYS 55 1HE LYS 55 16.585 -15.038 -2.325 947 HZ1 LYS 55 3HZ LYS 55 17.771 -17.722 -2.756 948 HZ2 LYS 55 1HZ LYS 55 18.325 -16.495 -1.723 949 HZ3 LYS 55 2HZ LYS 55 18.441 -16.305 -3.403 950 H LYS 56 H LYS 56 17.102 -14.665 4.061 951 HA LYS 56 HA LYS 56 17.099 -11.843 3.306 952 HB2 LYS 56 2HB LYS 56 17.027 -13.114 6.049 953 HB3 LYS 56 1HB LYS 56 16.908 -11.393 5.720 954 HG2 LYS 56 2HG LYS 56 14.832 -11.906 4.386 955 HG3 LYS 56 1HG LYS 56 14.916 -13.540 5.048 956 HD2 LYS 56 2HD LYS 56 14.872 -12.580 7.325 957 HD3 LYS 56 1HD LYS 56 14.690 -10.975 6.617 958 HE2 LYS 56 2HE LYS 56 12.522 -11.705 7.256 959 HE3 LYS 56 1HE LYS 56 12.606 -11.816 5.499 960 HZ1 LYS 56 3HZ LYS 56 13.198 -14.159 7.198 961 HZ2 LYS 56 1HZ LYS 56 12.716 -14.121 5.572 962 HZ3 LYS 56 2HZ LYS 56 11.599 -13.758 6.797 Start of MODEL 16 1 H1 GLY 2 1HT GLY 2 -17.730 12.805 -11.400 2 H2 GLY 2 2HT GLY 2 -16.097 12.968 -11.826 3 H3 GLY 2 3HT GLY 2 -17.298 13.697 -12.776 4 HA2 GLY 2 1HA GLY 2 -16.183 15.338 -11.397 5 HA3 GLY 2 2HA GLY 2 -17.885 15.182 -10.978 6 H ARG 3 H ARG 3 -18.295 15.066 -8.878 7 HA ARG 3 HA ARG 3 -16.148 14.222 -7.064 8 HB2 ARG 3 2HB ARG 3 -17.277 16.380 -6.621 9 HB3 ARG 3 1HB ARG 3 -18.808 15.532 -6.452 10 HG2 ARG 3 2HG ARG 3 -17.765 14.235 -4.567 11 HG3 ARG 3 1HG ARG 3 -16.396 15.346 -4.665 12 HD2 ARG 3 2HD ARG 3 -17.926 16.087 -2.949 13 HD3 ARG 3 1HD ARG 3 -17.934 17.232 -4.291 14 HE ARG 3 HE ARG 3 -19.979 15.466 -4.813 15 HH11 ARG 3 1HH1 ARG 3 -19.181 17.721 -2.241 16 HH12 ARG 3 2HH1 ARG 3 -20.843 17.983 -1.798 17 HH21 ARG 3 1HH2 ARG 3 -22.138 15.832 -4.251 18 HH22 ARG 3 2HH2 ARG 3 -22.534 16.920 -2.953 19 HA PRO 4 HA PRO 4 -18.359 10.348 -7.054 20 HB2 PRO 4 2HB PRO 4 -16.515 8.926 -5.667 21 HB3 PRO 4 1HB PRO 4 -16.339 9.329 -7.375 22 HG2 PRO 4 2HG PRO 4 -15.049 10.554 -4.995 23 HG3 PRO 4 1HG PRO 4 -14.396 10.299 -6.620 24 HD2 PRO 4 2HD PRO 4 -15.353 12.707 -5.653 25 HD3 PRO 4 1HD PRO 4 -15.195 12.295 -7.370 26 H TYR 5 H TYR 5 -20.064 11.038 -5.739 27 HA TYR 5 HA TYR 5 -21.499 10.754 -4.017 28 HB2 TYR 5 2HB TYR 5 -19.370 8.953 -2.846 29 HB3 TYR 5 1HB TYR 5 -21.047 9.043 -2.318 30 HD1 TYR 5 1HD TYR 5 -22.857 8.216 -3.806 31 HD2 TYR 5 2HD TYR 5 -18.745 7.711 -4.778 32 HE1 TYR 5 1HE TYR 5 -23.460 6.500 -5.459 33 HE2 TYR 5 2HE TYR 5 -19.341 5.995 -6.431 34 HH TYR 5 HH TYR 5 -22.592 5.450 -7.419 35 H LYS 6 H LYS 6 -18.326 10.793 -2.356 36 HA LYS 6 HA LYS 6 -19.188 13.141 -0.863 37 HB2 LYS 6 2HB LYS 6 -18.502 11.914 1.300 38 HB3 LYS 6 1HB LYS 6 -20.077 11.560 0.605 39 HG2 LYS 6 2HG LYS 6 -18.975 9.571 -0.519 40 HG3 LYS 6 1HG LYS 6 -17.595 9.874 0.536 41 HD2 LYS 6 2HD LYS 6 -20.417 9.380 1.476 42 HD3 LYS 6 1HD LYS 6 -19.144 8.162 1.422 43 HE2 LYS 6 2HE LYS 6 -17.817 9.471 2.993 44 HE3 LYS 6 1HE LYS 6 -19.070 10.711 3.030 45 HZ1 LYS 6 3HZ LYS 6 -19.151 9.157 4.928 46 HZ2 LYS 6 1HZ LYS 6 -19.493 7.888 3.849 47 HZ3 LYS 6 2HZ LYS 6 -20.586 9.176 4.020 48 H LEU 7 H LEU 7 -16.610 10.680 -0.496 49 HA LEU 7 HA LEU 7 -14.650 12.855 -0.524 50 HB2 LEU 7 2HB LEU 7 -14.395 9.947 0.243 51 HB3 LEU 7 1HB LEU 7 -13.052 11.071 0.209 52 HG LEU 7 HG LEU 7 -15.454 11.195 2.032 53 HD11 LEU 7 1HD1 LEU 7 -13.805 9.507 2.636 54 HD12 LEU 7 2HD1 LEU 7 -13.802 10.838 3.794 55 HD13 LEU 7 3HD1 LEU 7 -12.529 10.721 2.580 56 HD21 LEU 7 3HD2 LEU 7 -14.793 13.449 1.388 57 HD22 LEU 7 1HD2 LEU 7 -13.118 13.089 1.805 58 HD23 LEU 7 2HD2 LEU 7 -14.351 13.127 3.065 59 H LEU 8 H LEU 8 -12.482 12.141 -1.636 60 HA LEU 8 HA LEU 8 -13.309 11.794 -4.404 61 HB2 LEU 8 2HB LEU 8 -10.627 12.570 -3.253 62 HB3 LEU 8 1HB LEU 8 -11.070 12.626 -4.950 63 HG LEU 8 HG LEU 8 -12.312 14.302 -2.763 64 HD11 LEU 8 1HD1 LEU 8 -10.379 15.033 -4.954 65 HD12 LEU 8 2HD1 LEU 8 -10.017 14.952 -3.230 66 HD13 LEU 8 3HD1 LEU 8 -11.149 16.161 -3.837 67 HD21 LEU 8 3HD2 LEU 8 -13.367 15.511 -4.627 68 HD22 LEU 8 1HD2 LEU 8 -13.901 13.832 -4.536 69 HD23 LEU 8 2HD2 LEU 8 -12.719 14.316 -5.752 70 H ASN 9 H ASN 9 -13.464 9.429 -3.023 71 HA ASN 9 HA ASN 9 -12.998 7.224 -3.216 72 HB2 ASN 9 2HB ASN 9 -11.354 8.179 -5.557 73 HB3 ASN 9 1HB ASN 9 -11.565 6.478 -5.154 74 HD21 ASN 9 1HD2 ASN 9 -12.379 8.074 -7.501 75 HD22 ASN 9 2HD2 ASN 9 -14.080 7.796 -7.660 76 H GLY 10 H GLY 10 -9.850 8.651 -4.077 77 HA2 GLY 10 2HA GLY 10 -8.599 6.869 -2.109 78 HA3 GLY 10 1HA GLY 10 -7.773 7.703 -3.421 79 H ILE 11 H ILE 11 -7.693 7.590 -0.316 80 HA ILE 11 HA ILE 11 -7.807 10.504 0.154 81 HB ILE 11 HB ILE 11 -8.075 8.424 2.319 82 HG12 ILE 11 2HG1 ILE 11 -9.895 8.034 0.729 83 HG13 ILE 11 1HG1 ILE 11 -10.507 8.706 2.238 84 HG21 ILE 11 1HG2 ILE 11 -7.497 10.639 3.084 85 HG22 ILE 11 2HG2 ILE 11 -9.165 10.281 3.532 86 HG23 ILE 11 3HG2 ILE 11 -8.829 11.337 2.162 87 HD11 ILE 11 3HD1 ILE 11 -11.607 9.694 0.316 88 HD12 ILE 11 1HD1 ILE 11 -10.050 10.217 -0.324 89 HD13 ILE 11 2HD1 ILE 11 -10.659 10.904 1.183 90 H LYS 12 H LYS 12 -6.171 11.350 1.599 91 HA LYS 12 HA LYS 12 -3.663 9.958 1.015 92 HB2 LYS 12 2HB LYS 12 -4.092 12.270 0.115 93 HB3 LYS 12 1HB LYS 12 -4.073 12.857 1.770 94 HG2 LYS 12 2HG LYS 12 -1.951 13.245 0.659 95 HG3 LYS 12 1HG LYS 12 -1.769 12.132 2.016 96 HD2 LYS 12 2HD LYS 12 -1.634 10.254 0.556 97 HD3 LYS 12 1HD LYS 12 -2.098 11.234 -0.838 98 HE2 LYS 12 2HE LYS 12 0.399 11.691 0.781 99 HE3 LYS 12 1HE LYS 12 0.346 10.700 -0.676 100 HZ1 LYS 12 3HZ LYS 12 -0.622 13.487 -0.725 101 HZ2 LYS 12 1HZ LYS 12 -0.064 12.527 -2.006 102 HZ3 LYS 12 2HZ LYS 12 1.030 13.149 -0.869 103 H LEU 13 H LEU 13 -2.355 9.281 2.514 104 HA LEU 13 HA LEU 13 -2.692 10.187 5.288 105 HB2 LEU 13 2HB LEU 13 -2.034 7.816 5.930 106 HB3 LEU 13 1HB LEU 13 -3.661 8.048 5.317 107 HG LEU 13 HG LEU 13 -1.568 7.251 3.358 108 HD11 LEU 13 1HD1 LEU 13 -1.100 5.767 5.230 109 HD12 LEU 13 2HD1 LEU 13 -1.883 4.884 3.917 110 HD13 LEU 13 3HD1 LEU 13 -2.809 5.351 5.342 111 HD21 LEU 13 3HD2 LEU 13 -3.866 7.717 2.647 112 HD22 LEU 13 1HD2 LEU 13 -4.462 6.494 3.772 113 HD23 LEU 13 2HD2 LEU 13 -3.454 6.017 2.405 114 H GLY 14 H GLY 14 -0.809 10.332 6.494 115 HA2 GLY 14 2HA GLY 14 1.610 10.451 4.823 116 HA3 GLY 14 1HA GLY 14 1.336 11.364 6.301 117 H VAL 15 H VAL 15 3.123 8.978 5.070 118 HA VAL 15 HA VAL 15 3.166 7.419 7.572 119 HB VAL 15 HB VAL 15 4.245 6.475 4.915 120 HG11 VAL 15 1HG1 VAL 15 3.449 5.004 7.420 121 HG12 VAL 15 2HG1 VAL 15 5.094 5.304 6.860 122 HG13 VAL 15 3HG1 VAL 15 4.025 4.254 5.930 123 HG21 VAL 15 3HG2 VAL 15 1.866 6.936 4.626 124 HG22 VAL 15 1HG2 VAL 15 1.499 5.947 6.039 125 HG23 VAL 15 2HG2 VAL 15 2.188 5.201 4.596 126 H TYR 16 H TYR 16 5.198 6.902 8.459 127 HA TYR 16 HA TYR 16 7.532 8.204 7.248 128 HB2 TYR 16 2HB TYR 16 6.327 8.815 9.817 129 HB3 TYR 16 1HB TYR 16 7.997 8.285 9.997 130 HD1 TYR 16 1HD TYR 16 9.640 9.380 8.209 131 HD2 TYR 16 2HD TYR 16 5.972 11.077 9.521 132 HE1 TYR 16 1HE TYR 16 10.436 11.598 7.539 133 HE2 TYR 16 2HE TYR 16 6.762 13.307 8.861 134 HH TYR 16 HH TYR 16 8.818 14.486 8.460 135 H ILE 17 H ILE 17 9.040 6.737 6.853 136 HA ILE 17 HA ILE 17 9.352 4.494 8.714 137 HB ILE 17 HB ILE 17 9.511 2.855 6.885 138 HG12 ILE 17 2HG1 ILE 17 8.487 5.103 5.138 139 HG13 ILE 17 1HG1 ILE 17 10.092 4.387 5.054 140 HG21 ILE 17 1HG2 ILE 17 7.120 2.651 6.441 141 HG22 ILE 17 2HG2 ILE 17 6.878 4.324 6.947 142 HG23 ILE 17 3HG2 ILE 17 7.418 3.120 8.117 143 HD11 ILE 17 3HD1 ILE 17 7.512 2.933 4.521 144 HD12 ILE 17 1HD1 ILE 17 9.138 2.272 4.363 145 HD13 ILE 17 2HD1 ILE 17 8.604 3.568 3.289 146 HA PRO 18 HA PRO 18 13.577 5.130 8.543 147 HB2 PRO 18 2HB PRO 18 14.711 2.668 8.217 148 HB3 PRO 18 1HB PRO 18 13.958 3.215 9.721 149 HG2 PRO 18 2HG PRO 18 12.822 1.495 7.546 150 HG3 PRO 18 1HG PRO 18 12.711 1.293 9.306 151 HD2 PRO 18 2HD PRO 18 10.685 2.317 7.873 152 HD3 PRO 18 1HD PRO 18 11.057 2.896 9.508 153 H GLN 19 H GLN 19 15.570 5.161 7.358 154 HA GLN 19 HA GLN 19 15.200 5.586 4.593 155 HB2 GLN 19 2HB GLN 19 17.584 6.016 4.493 156 HB3 GLN 19 1HB GLN 19 16.908 6.760 5.935 157 HG2 GLN 19 2HG GLN 19 18.582 5.814 7.041 158 HG3 GLN 19 1HG GLN 19 17.719 4.293 6.839 159 HE21 GLN 19 1HE2 GLN 19 18.207 4.262 3.922 160 HE22 GLN 19 2HE2 GLN 19 19.864 3.801 3.745 161 H GLU 20 H GLU 20 16.452 2.865 6.435 162 HA GLU 20 HA GLU 20 17.484 1.342 4.325 163 HB2 GLU 20 2HB GLU 20 16.337 0.578 7.002 164 HB3 GLU 20 1HB GLU 20 16.970 -0.622 5.881 165 HG2 GLU 20 2HG GLU 20 18.539 1.721 6.926 166 HG3 GLU 20 1HG GLU 20 18.585 0.097 7.613 167 H TRP 21 H TRP 21 14.220 1.848 5.410 168 HA TRP 21 HA TRP 21 13.118 -0.331 3.906 169 HB2 TRP 21 2HB TRP 21 12.147 1.772 5.708 170 HB3 TRP 21 1HB TRP 21 11.036 1.398 4.396 171 HD1 TRP 21 HD TRP 21 13.115 -1.415 5.992 172 HE1 TRP 21 1HE TRP 21 11.489 -2.976 7.252 173 HE3 TRP 21 3HE TRP 21 8.878 1.347 5.555 174 HZ2 TRP 21 2HZ TRP 21 8.731 -3.004 7.962 175 HZ3 TRP 21 3HZ TRP 21 6.801 0.518 6.535 176 HH2 TRP 21 HH TRP 21 6.709 -1.599 7.708 177 H HIS 22 H HIS 22 13.287 3.203 3.578 178 HA HIS 22 HA HIS 22 11.935 3.406 1.133 179 HB2 HIS 22 2HB HIS 22 14.035 5.117 2.441 180 HB3 HIS 22 1HB HIS 22 13.445 5.494 0.824 181 HD1 HIS 22 1HD HIS 22 11.202 6.642 0.634 182 HD2 HIS 22 2HD HIS 22 12.059 5.352 4.499 183 HE1 HIS 22 1HE HIS 22 9.447 7.684 2.101 184 HE2 HIS 22 2HE HIS 22 10.077 7.020 4.450 185 H ASP 23 H ASP 23 15.384 2.890 1.827 186 HA ASP 23 HA ASP 23 16.333 3.016 -0.790 187 HB2 ASP 23 2HB ASP 23 17.857 3.010 1.078 188 HB3 ASP 23 1HB ASP 23 17.331 1.399 1.559 189 H ARG 24 H ARG 24 15.265 0.126 1.039 190 HA ARG 24 HA ARG 24 15.816 -1.612 -1.190 191 HB2 ARG 24 2HB ARG 24 14.115 -2.298 1.202 192 HB3 ARG 24 1HB ARG 24 15.008 -3.397 0.166 193 HG2 ARG 24 2HG ARG 24 16.202 -1.414 2.086 194 HG3 ARG 24 1HG ARG 24 16.049 -3.147 2.347 195 HD2 ARG 24 2HD ARG 24 17.463 -3.431 0.246 196 HD3 ARG 24 1HD ARG 24 17.813 -1.706 0.386 197 HE ARG 24 HE ARG 24 18.804 -3.839 2.067 198 HH11 ARG 24 1HH1 ARG 24 18.471 -0.359 1.684 199 HH12 ARG 24 2HH1 ARG 24 19.425 0.005 3.095 200 HH21 ARG 24 1HH2 ARG 24 20.104 -3.345 3.870 201 HH22 ARG 24 2HH2 ARG 24 20.359 -1.686 4.329 202 H LEU 25 H LEU 25 12.906 -0.179 0.228 203 HA LEU 25 HA LEU 25 11.059 -1.621 -1.347 204 HB2 LEU 25 2HB LEU 25 10.873 1.000 0.117 205 HB3 LEU 25 1HB LEU 25 9.523 0.357 -0.808 206 HG LEU 25 HG LEU 25 10.848 -0.981 1.557 207 HD11 LEU 25 1HD1 LEU 25 9.534 0.952 2.202 208 HD12 LEU 25 2HD1 LEU 25 8.717 -0.535 2.685 209 HD13 LEU 25 3HD1 LEU 25 8.162 0.356 1.267 210 HD21 LEU 25 3HD2 LEU 25 10.023 -2.610 -0.064 211 HD22 LEU 25 1HD2 LEU 25 8.446 -1.819 -0.069 212 HD23 LEU 25 2HD2 LEU 25 9.034 -2.608 1.395 213 H MET 26 H MET 26 12.451 1.642 -1.772 214 HA MET 26 HA MET 26 11.182 2.091 -4.257 215 HB2 MET 26 2HB MET 26 13.683 3.330 -3.107 216 HB3 MET 26 1HB MET 26 12.871 3.896 -4.559 217 HG2 MET 26 2HG MET 26 11.686 3.816 -1.797 218 HG3 MET 26 1HG MET 26 12.293 5.246 -2.622 219 HE1 MET 26 3HE MET 26 9.734 5.686 -5.538 220 HE2 MET 26 1HE MET 26 11.298 4.873 -5.582 221 HE3 MET 26 2HE MET 26 11.115 6.384 -4.693 222 H GLU 27 H GLU 27 14.033 0.348 -3.366 223 HA GLU 27 HA GLU 27 15.238 0.239 -5.928 224 HB2 GLU 27 2HB GLU 27 16.333 -0.337 -3.738 225 HB3 GLU 27 1HB GLU 27 15.395 -1.822 -3.725 226 HG2 GLU 27 2HG GLU 27 16.501 -2.606 -5.695 227 HG3 GLU 27 1HG GLU 27 17.334 -1.062 -5.891 228 H ILE 28 H ILE 28 13.104 -2.001 -4.182 229 HA ILE 28 HA ILE 28 12.614 -3.773 -6.329 230 HB ILE 28 HB ILE 28 10.721 -2.992 -4.096 231 HG12 ILE 28 2HG1 ILE 28 12.890 -3.844 -3.272 232 HG13 ILE 28 1HG1 ILE 28 11.560 -4.932 -2.896 233 HG21 ILE 28 1HG2 ILE 28 9.665 -5.169 -4.502 234 HG22 ILE 28 2HG2 ILE 28 10.730 -5.415 -5.886 235 HG23 ILE 28 3HG2 ILE 28 9.552 -4.102 -5.902 236 HD11 ILE 28 3HD1 ILE 28 12.210 -6.377 -4.744 237 HD12 ILE 28 1HD1 ILE 28 13.543 -6.149 -3.611 238 HD13 ILE 28 2HD1 ILE 28 13.529 -5.278 -5.146 239 H ALA 29 H ALA 29 11.183 -0.739 -5.350 240 HA ALA 29 HA ALA 29 9.043 -0.640 -7.173 241 HB1 ALA 29 1HB ALA 29 9.283 0.778 -5.159 242 HB2 ALA 29 2HB ALA 29 8.890 1.687 -6.617 243 HB3 ALA 29 3HB ALA 29 10.541 1.689 -5.996 244 H LYS 30 H LYS 30 12.426 -0.193 -7.636 245 HA LYS 30 HA LYS 30 12.167 1.315 -10.073 246 HB2 LYS 30 2HB LYS 30 14.471 -0.107 -8.751 247 HB3 LYS 30 1HB LYS 30 14.620 0.621 -10.346 248 HG2 LYS 30 2HG LYS 30 14.091 2.806 -9.409 249 HG3 LYS 30 1HG LYS 30 13.890 2.082 -7.811 250 HD2 LYS 30 2HD LYS 30 16.218 1.402 -7.797 251 HD3 LYS 30 1HD LYS 30 16.433 2.022 -9.434 252 HE2 LYS 30 2HE LYS 30 17.332 3.607 -7.859 253 HE3 LYS 30 1HE LYS 30 15.890 4.285 -8.610 254 HZ1 LYS 30 3HZ LYS 30 14.625 3.786 -6.652 255 HZ2 LYS 30 1HZ LYS 30 16.006 4.665 -6.201 256 HZ3 LYS 30 2HZ LYS 30 15.944 2.990 -5.933 257 H GLU 31 H GLU 31 12.890 -2.018 -9.176 258 HA GLU 31 HA GLU 31 13.160 -3.050 -11.772 259 HB2 GLU 31 2HB GLU 31 12.143 -4.467 -9.305 260 HB3 GLU 31 1HB GLU 31 12.710 -5.247 -10.771 261 HG2 GLU 31 2HG GLU 31 14.949 -4.305 -10.374 262 HG3 GLU 31 1HG GLU 31 14.355 -3.608 -8.863 263 H LYS 32 H LYS 32 10.327 -2.738 -9.668 264 HA LYS 32 HA LYS 32 8.677 -4.122 -11.643 265 HB2 LYS 32 2HB LYS 32 8.300 -3.426 -8.748 266 HB3 LYS 32 1HB LYS 32 6.924 -3.870 -9.741 267 HG2 LYS 32 2HG LYS 32 7.752 -5.777 -8.478 268 HG3 LYS 32 1HG LYS 32 7.944 -6.038 -10.211 269 HD2 LYS 32 2HD LYS 32 10.299 -5.482 -10.058 270 HD3 LYS 32 1HD LYS 32 10.126 -5.109 -8.342 271 HE2 LYS 32 2HE LYS 32 9.752 -7.370 -7.788 272 HE3 LYS 32 1HE LYS 32 9.455 -7.815 -9.470 273 HZ1 LYS 32 3HZ LYS 32 12.080 -6.895 -8.401 274 HZ2 LYS 32 1HZ LYS 32 11.760 -7.443 -9.975 275 HZ3 LYS 32 2HZ LYS 32 11.657 -8.518 -8.669 276 H ASN 33 H ASN 33 9.494 -0.990 -10.953 277 HA ASN 33 HA ASN 33 8.700 1.060 -11.498 278 HB2 ASN 33 2HB ASN 33 8.353 0.017 -13.730 279 HB3 ASN 33 1HB ASN 33 6.712 -0.404 -13.249 280 HD21 ASN 33 1HD2 ASN 33 5.770 0.837 -14.847 281 HD22 ASN 33 2HD2 ASN 33 5.781 2.571 -14.812 282 H LEU 34 H LEU 34 8.025 0.915 -9.222 283 HA LEU 34 HA LEU 34 5.166 1.498 -8.955 284 HB2 LEU 34 2HB LEU 34 6.758 -0.394 -7.220 285 HB3 LEU 34 1HB LEU 34 5.209 0.281 -6.747 286 HG LEU 34 HG LEU 34 5.638 -1.453 -9.182 287 HD11 LEU 34 1HD1 LEU 34 4.473 -2.164 -6.492 288 HD12 LEU 34 2HD1 LEU 34 6.039 -2.695 -7.104 289 HD13 LEU 34 3HD1 LEU 34 4.556 -3.218 -7.902 290 HD21 LEU 34 3HD2 LEU 34 3.745 0.056 -9.392 291 HD22 LEU 34 1HD2 LEU 34 3.139 -0.457 -7.816 292 HD23 LEU 34 2HD2 LEU 34 3.184 -1.600 -9.158 293 H THR 35 H THR 35 4.730 2.705 -6.879 294 HA THR 35 HA THR 35 7.171 3.992 -5.844 295 HB THR 35 HB THR 35 5.752 5.669 -4.798 296 HG1 THR 35 1HG THR 35 3.550 4.232 -5.934 297 HG21 THR 35 3HG2 THR 35 4.935 5.233 -7.671 298 HG22 THR 35 1HG2 THR 35 6.394 6.064 -7.124 299 HG23 THR 35 2HG2 THR 35 4.806 6.748 -6.776 300 H LEU 36 H LEU 36 7.460 4.012 -3.480 301 HA LEU 36 HA LEU 36 6.975 1.513 -2.334 302 HB2 LEU 36 2HB LEU 36 7.879 2.333 -0.320 303 HB3 LEU 36 1HB LEU 36 8.738 3.139 -1.614 304 HG LEU 36 HG LEU 36 6.503 4.402 -0.020 305 HD11 LEU 36 1HD1 LEU 36 8.431 3.870 1.388 306 HD12 LEU 36 2HD1 LEU 36 8.250 5.609 1.157 307 HD13 LEU 36 3HD1 LEU 36 9.485 4.725 0.261 308 HD21 LEU 36 3HD2 LEU 36 7.388 6.501 -0.954 309 HD22 LEU 36 1HD2 LEU 36 6.793 5.417 -2.212 310 HD23 LEU 36 2HD2 LEU 36 8.528 5.574 -1.929 311 H SER 37 H SER 37 5.156 4.488 -2.196 312 HA SER 37 HA SER 37 3.283 3.913 -0.244 313 HB2 SER 37 2HB SER 37 2.685 5.338 -2.841 314 HB3 SER 37 1HB SER 37 1.943 5.607 -1.261 315 HG SER 37 HG SER 37 3.432 7.183 -1.401 316 H ASP 38 H ASP 38 3.265 3.026 -3.691 317 HA ASP 38 HA ASP 38 0.753 1.737 -3.716 318 HB2 ASP 38 2HB ASP 38 3.213 1.167 -5.402 319 HB3 ASP 38 1HB ASP 38 1.607 0.526 -5.720 320 H VAL 39 H VAL 39 3.998 0.686 -2.934 321 HA VAL 39 HA VAL 39 3.502 -2.079 -2.859 322 HB VAL 39 HB VAL 39 5.609 -0.560 -1.312 323 HG11 VAL 39 1HG1 VAL 39 5.334 -2.847 -0.536 324 HG12 VAL 39 2HG1 VAL 39 6.861 -2.669 -1.400 325 HG13 VAL 39 3HG1 VAL 39 5.487 -3.446 -2.188 326 HG21 VAL 39 3HG2 VAL 39 5.721 -1.722 -4.094 327 HG22 VAL 39 1HG2 VAL 39 7.086 -1.033 -3.213 328 HG23 VAL 39 2HG2 VAL 39 5.725 -0.010 -3.674 329 H CYS 40 H CYS 40 3.157 0.438 -0.380 330 HA CYS 40 HA CYS 40 2.793 -1.406 1.771 331 HB2 CYS 40 2HB CYS 40 1.639 1.388 1.791 332 HB3 CYS 40 1HB CYS 40 2.308 0.452 3.120 333 HG CYS 40 HG CYS 40 4.418 1.377 0.627 334 H ARG 41 H ARG 41 0.460 0.617 0.012 335 HA ARG 41 HA ARG 41 -1.925 -0.443 0.740 336 HB2 ARG 41 2HB ARG 41 -1.750 1.417 -0.760 337 HB3 ARG 41 1HB ARG 41 -0.908 0.458 -1.958 338 HG2 ARG 41 2HG ARG 41 -3.707 -0.245 -1.201 339 HG3 ARG 41 1HG ARG 41 -3.396 1.101 -2.297 340 HD2 ARG 41 2HD ARG 41 -2.000 -0.503 -3.660 341 HD3 ARG 41 1HD ARG 41 -2.665 -1.793 -2.658 342 HE ARG 41 HE ARG 41 -4.298 -0.013 -4.361 343 HH11 ARG 41 1HH1 ARG 41 -3.662 -3.127 -2.887 344 HH12 ARG 41 2HH1 ARG 41 -4.962 -3.931 -3.715 345 HH21 ARG 41 1HH2 ARG 41 -6.007 -1.069 -5.460 346 HH22 ARG 41 2HH2 ARG 41 -6.290 -2.762 -5.170 347 H LEU 42 H LEU 42 0.232 -1.769 -1.785 348 HA LEU 42 HA LEU 42 -1.421 -4.001 -2.385 349 HB2 LEU 42 2HB LEU 42 1.549 -3.630 -2.787 350 HB3 LEU 42 1HB LEU 42 0.593 -4.920 -3.490 351 HG LEU 42 HG LEU 42 0.202 -1.980 -4.061 352 HD11 LEU 42 1HD1 LEU 42 1.175 -2.487 -6.246 353 HD12 LEU 42 2HD1 LEU 42 1.507 -4.135 -5.717 354 HD13 LEU 42 3HD1 LEU 42 2.324 -2.780 -4.941 355 HD21 LEU 42 3HD2 LEU 42 -1.017 -4.447 -5.300 356 HD22 LEU 42 1HD2 LEU 42 -1.219 -2.800 -5.898 357 HD23 LEU 42 2HD2 LEU 42 -1.849 -3.247 -4.312 358 H ALA 43 H ALA 43 1.036 -3.381 -0.013 359 HA ALA 43 HA ALA 43 1.514 -6.072 0.727 360 HB1 ALA 43 1HB ALA 43 3.125 -4.314 1.180 361 HB2 ALA 43 2HB ALA 43 2.646 -5.136 2.666 362 HB3 ALA 43 3HB ALA 43 1.984 -3.546 2.284 363 H ILE 44 H ILE 44 -0.778 -3.610 1.757 364 HA ILE 44 HA ILE 44 -1.722 -4.973 4.049 365 HB ILE 44 HB ILE 44 -3.127 -2.968 2.265 366 HG12 ILE 44 2HG1 ILE 44 -1.712 -2.741 4.930 367 HG13 ILE 44 1HG1 ILE 44 -1.224 -2.009 3.403 368 HG21 ILE 44 1HG2 ILE 44 -4.758 -2.714 4.082 369 HG22 ILE 44 2HG2 ILE 44 -3.989 -4.042 4.951 370 HG23 ILE 44 3HG2 ILE 44 -4.783 -4.341 3.405 371 HD11 ILE 44 3HD1 ILE 44 -3.182 -0.563 3.464 372 HD12 ILE 44 1HD1 ILE 44 -2.221 -0.383 4.931 373 HD13 ILE 44 2HD1 ILE 44 -3.712 -1.326 4.962 374 H LYS 45 H LYS 45 -2.616 -5.001 0.646 375 HA LYS 45 HA LYS 45 -4.803 -6.711 0.781 376 HB2 LYS 45 2HB LYS 45 -4.323 -5.654 -1.299 377 HB3 LYS 45 1HB LYS 45 -2.701 -6.333 -1.348 378 HG2 LYS 45 2HG LYS 45 -3.639 -8.566 -1.663 379 HG3 LYS 45 1HG LYS 45 -5.268 -7.887 -1.615 380 HD2 LYS 45 2HD LYS 45 -4.897 -6.665 -3.628 381 HD3 LYS 45 1HD LYS 45 -3.172 -7.042 -3.610 382 HE2 LYS 45 2HE LYS 45 -4.430 -8.400 -5.241 383 HE3 LYS 45 1HE LYS 45 -3.636 -9.376 -4.008 384 HZ1 LYS 45 3HZ LYS 45 -5.940 -10.067 -4.527 385 HZ2 LYS 45 1HZ LYS 45 -6.498 -8.593 -3.904 386 HZ3 LYS 45 2HZ LYS 45 -5.702 -9.697 -2.892 387 H GLU 46 H GLU 46 -1.346 -7.509 0.523 388 HA GLU 46 HA GLU 46 -1.790 -10.327 0.437 389 HB2 GLU 46 2HB GLU 46 0.252 -9.171 -0.467 390 HB3 GLU 46 1HB GLU 46 0.751 -8.862 1.191 391 HG2 GLU 46 2HG GLU 46 1.009 -11.193 1.626 392 HG3 GLU 46 1HG GLU 46 0.267 -11.618 0.085 393 H TYR 47 H TYR 47 -1.137 -7.959 2.921 394 HA TYR 47 HA TYR 47 -0.571 -9.685 5.047 395 HB2 TYR 47 2HB TYR 47 -0.125 -7.258 5.092 396 HB3 TYR 47 1HB TYR 47 -1.856 -6.944 5.126 397 HD1 TYR 47 2HD TYR 47 0.989 -8.279 7.046 398 HD2 TYR 47 1HD TYR 47 -3.101 -7.122 7.158 399 HE1 TYR 47 2HE TYR 47 1.031 -8.395 9.501 400 HE2 TYR 47 1HE TYR 47 -3.074 -7.232 9.612 401 HH TYR 47 HH TYR 47 -0.143 -7.636 11.416 402 H LEU 48 H LEU 48 -3.627 -8.274 3.923 403 HA LEU 48 HA LEU 48 -5.268 -9.432 5.907 404 HB2 LEU 48 2HB LEU 48 -6.000 -8.695 3.069 405 HB3 LEU 48 1HB LEU 48 -7.130 -8.977 4.378 406 HG LEU 48 HG LEU 48 -5.156 -6.700 4.196 407 HD11 LEU 48 1HD1 LEU 48 -8.163 -6.756 3.983 408 HD12 LEU 48 2HD1 LEU 48 -7.029 -6.465 2.663 409 HD13 LEU 48 3HD1 LEU 48 -7.156 -5.309 3.989 410 HD21 LEU 48 3HD2 LEU 48 -5.484 -7.422 6.505 411 HD22 LEU 48 1HD2 LEU 48 -7.231 -7.309 6.299 412 HD23 LEU 48 2HD2 LEU 48 -6.237 -5.854 6.215 413 H ASP 49 H ASP 49 -4.094 -10.523 2.819 414 HA ASP 49 HA ASP 49 -5.757 -12.760 2.475 415 HB2 ASP 49 2HB ASP 49 -4.264 -11.586 0.776 416 HB3 ASP 49 1HB ASP 49 -2.935 -12.520 1.453 417 H ASN 50 H ASN 50 -2.524 -12.432 3.979 418 HA ASN 50 HA ASN 50 -2.231 -15.235 4.455 419 HB2 ASN 50 2HB ASN 50 -0.835 -12.950 5.853 420 HB3 ASN 50 1HB ASN 50 -0.284 -14.617 5.746 421 HD21 ASN 50 1HD2 ASN 50 0.595 -11.843 4.804 422 HD22 ASN 50 2HD2 ASN 50 1.095 -12.119 3.171 423 H HIS 51 H HIS 51 -3.612 -12.586 6.284 424 HA HIS 51 HA HIS 51 -3.619 -14.180 8.721 425 HB2 HIS 51 2HB HIS 51 -4.355 -11.314 8.164 426 HB3 HIS 51 1HB HIS 51 -4.675 -12.084 9.715 427 HD1 HIS 51 1HD HIS 51 -2.856 -11.841 11.393 428 HD2 HIS 51 2HD HIS 51 -1.439 -11.494 7.494 429 HE1 HIS 51 1HE HIS 51 -0.406 -11.307 11.602 430 HE2 HIS 51 2HE HIS 51 0.462 -11.238 9.228 431 H ASP 52 H ASP 52 -5.554 -13.826 6.088 432 HA ASP 52 HA ASP 52 -7.584 -14.624 5.530 433 HB2 ASP 52 2HB ASP 52 -6.641 -16.578 6.755 434 HB3 ASP 52 1HB ASP 52 -7.468 -16.029 8.207 435 H LYS 53 H LYS 53 -9.928 -15.102 6.765 436 HA LYS 53 HA LYS 53 -10.806 -12.461 7.509 437 HB2 LYS 53 2HB LYS 53 -12.124 -13.881 5.990 438 HB3 LYS 53 1HB LYS 53 -12.307 -15.077 7.266 439 HG2 LYS 53 2HG LYS 53 -13.466 -13.284 8.609 440 HG3 LYS 53 1HG LYS 53 -13.482 -12.318 7.129 441 HD2 LYS 53 2HD LYS 53 -14.642 -14.218 5.996 442 HD3 LYS 53 1HD LYS 53 -14.763 -15.009 7.570 443 HE2 LYS 53 2HE LYS 53 -16.828 -13.873 7.118 444 HE3 LYS 53 1HE LYS 53 -15.984 -13.027 8.415 445 HZ1 LYS 53 3HZ LYS 53 -15.276 -11.348 6.890 446 HZ2 LYS 53 1HZ LYS 53 -16.950 -11.541 6.707 447 HZ3 LYS 53 2HZ LYS 53 -15.888 -12.207 5.563 448 H GLN 54 H GLN 54 -10.449 -15.627 9.020 449 HA GLN 54 HA GLN 54 -11.754 -14.722 11.451 450 HB2 GLN 54 2HB GLN 54 -11.555 -17.017 12.205 451 HB3 GLN 54 1HB GLN 54 -12.185 -16.990 10.565 452 HG2 GLN 54 2HG GLN 54 -9.893 -17.477 9.740 453 HG3 GLN 54 1HG GLN 54 -9.376 -17.650 11.415 454 HE21 GLN 54 1HE2 GLN 54 -9.367 -19.604 9.262 455 HE22 GLN 54 2HE2 GLN 54 -10.328 -20.936 9.816 456 H LYS 55 H LYS 55 -10.803 -14.587 13.469 457 HA LYS 55 HA LYS 55 -7.875 -14.804 13.588 458 HB2 LYS 55 2HB LYS 55 -9.577 -12.603 14.779 459 HB3 LYS 55 1HB LYS 55 -7.896 -12.874 15.208 460 HG2 LYS 55 2HG LYS 55 -7.795 -11.156 13.657 461 HG3 LYS 55 1HG LYS 55 -7.421 -12.589 12.700 462 HD2 LYS 55 2HD LYS 55 -9.853 -12.667 12.061 463 HD3 LYS 55 1HD LYS 55 -10.034 -11.094 12.837 464 HE2 LYS 55 2HE LYS 55 -9.715 -10.890 10.414 465 HE3 LYS 55 1HE LYS 55 -8.406 -10.131 11.318 466 HZ1 LYS 55 3HZ LYS 55 -6.922 -11.761 10.720 467 HZ2 LYS 55 1HZ LYS 55 -7.861 -11.649 9.315 468 HZ3 LYS 55 2HZ LYS 55 -8.121 -12.917 10.403 469 H LYS 56 H LYS 56 -8.170 -16.870 14.491 470 HA LYS 56 HA LYS 56 -8.931 -16.825 17.309 471 HB2 LYS 56 2HB LYS 56 -10.901 -17.633 16.013 472 HB3 LYS 56 1HB LYS 56 -9.909 -18.932 15.367 473 HG2 LYS 56 2HG LYS 56 -11.259 -19.764 17.174 474 HG3 LYS 56 1HG LYS 56 -9.562 -19.770 17.660 475 HD2 LYS 56 2HD LYS 56 -9.976 -17.553 18.764 476 HD3 LYS 56 1HD LYS 56 -11.695 -17.792 18.448 477 HE2 LYS 56 2HE LYS 56 -11.185 -18.479 20.702 478 HE3 LYS 56 1HE LYS 56 -11.603 -19.895 19.738 479 HZ1 LYS 56 3HZ LYS 56 -9.634 -20.176 21.207 480 HZ2 LYS 56 1HZ LYS 56 -8.813 -19.027 20.265 481 HZ3 LYS 56 2HZ LYS 56 -9.321 -20.492 19.569 482 H1 GLY 2 1HT GLY 2 18.201 14.285 18.880 483 H2 GLY 2 2HT GLY 2 19.808 14.754 19.162 484 H3 GLY 2 3HT GLY 2 19.015 13.745 20.263 485 HA2 GLY 2 1HA GLY 2 20.600 12.542 18.844 486 HA3 GLY 2 2HA GLY 2 18.947 11.953 18.718 487 H ARG 3 H ARG 3 21.082 11.672 16.787 488 HA ARG 3 HA ARG 3 19.573 12.487 14.484 489 HB2 ARG 3 2HB ARG 3 20.941 14.523 14.966 490 HB3 ARG 3 1HB ARG 3 22.392 13.551 14.758 491 HG2 ARG 3 2HG ARG 3 21.805 13.116 12.447 492 HG3 ARG 3 1HG ARG 3 20.299 14.015 12.641 493 HD2 ARG 3 2HD ARG 3 21.938 15.412 11.547 494 HD3 ARG 3 1HD ARG 3 21.608 16.038 13.164 495 HE ARG 3 HE ARG 3 23.828 14.295 13.245 496 HH11 ARG 3 1HH1 ARG 3 22.952 17.496 12.111 497 HH12 ARG 3 2HH1 ARG 3 24.557 18.132 12.282 498 HH21 ARG 3 1HH2 ARG 3 25.933 15.122 13.452 499 HH22 ARG 3 2HH2 ARG 3 26.254 16.779 13.028 500 HA PRO 4 HA PRO 4 21.496 8.392 13.887 501 HB2 PRO 4 2HB PRO 4 19.349 8.316 11.848 502 HB3 PRO 4 1HB PRO 4 19.741 7.153 13.119 503 HG2 PRO 4 2HG PRO 4 17.590 8.717 13.312 504 HG3 PRO 4 1HG PRO 4 18.569 8.322 14.738 505 HD2 PRO 4 2HD PRO 4 18.529 10.827 13.099 506 HD3 PRO 4 1HD PRO 4 18.618 10.639 14.864 507 H TYR 5 H TYR 5 23.351 9.408 12.994 508 HA TYR 5 HA TYR 5 24.905 9.706 11.391 509 HB2 TYR 5 2HB TYR 5 22.919 8.035 9.886 510 HB3 TYR 5 1HB TYR 5 24.359 8.655 9.089 511 HD1 TYR 5 1HD TYR 5 24.145 7.490 12.601 512 HD2 TYR 5 2HD TYR 5 25.494 6.640 8.661 513 HE1 TYR 5 1HE TYR 5 25.441 5.593 13.461 514 HE2 TYR 5 2HE TYR 5 26.791 4.731 9.511 515 HH TYR 5 HH TYR 5 27.801 3.976 11.602 516 H LYS 6 H LYS 6 22.110 9.935 9.223 517 HA LYS 6 HA LYS 6 22.782 12.737 8.684 518 HB2 LYS 6 2HB LYS 6 22.836 12.236 6.239 519 HB3 LYS 6 1HB LYS 6 24.161 11.501 7.135 520 HG2 LYS 6 2HG LYS 6 22.796 9.391 7.215 521 HG3 LYS 6 1HG LYS 6 21.689 10.156 6.078 522 HD2 LYS 6 2HD LYS 6 24.633 9.723 5.596 523 HD3 LYS 6 1HD LYS 6 23.347 8.679 4.991 524 HE2 LYS 6 2HE LYS 6 22.411 10.576 3.746 525 HE3 LYS 6 1HE LYS 6 23.718 11.602 4.338 526 HZ1 LYS 6 3HZ LYS 6 24.213 10.809 2.128 527 HZ2 LYS 6 1HZ LYS 6 24.017 9.194 2.620 528 HZ3 LYS 6 2HZ LYS 6 25.299 10.124 3.234 529 H LEU 7 H LEU 7 20.459 10.673 9.499 530 HA LEU 7 HA LEU 7 18.365 12.146 8.088 531 HB2 LEU 7 2HB LEU 7 18.621 9.134 8.103 532 HB3 LEU 7 1HB LEU 7 17.171 9.991 7.620 533 HG LEU 7 HG LEU 7 19.836 10.312 6.236 534 HD11 LEU 7 1HD1 LEU 7 19.019 8.011 6.013 535 HD12 LEU 7 2HD1 LEU 7 18.942 8.889 4.485 536 HD13 LEU 7 3HD1 LEU 7 17.473 8.625 5.423 537 HD21 LEU 7 3HD2 LEU 7 17.031 11.134 5.493 538 HD22 LEU 7 1HD2 LEU 7 18.444 11.280 4.448 539 HD23 LEU 7 2HD2 LEU 7 18.354 12.206 5.946 540 H LEU 8 H LEU 8 16.256 11.897 9.108 541 HA LEU 8 HA LEU 8 16.558 11.544 11.981 542 HB2 LEU 8 2HB LEU 8 14.270 12.639 10.346 543 HB3 LEU 8 1HB LEU 8 14.285 12.542 12.096 544 HG LEU 8 HG LEU 8 16.156 14.201 10.403 545 HD11 LEU 8 1HD1 LEU 8 13.897 15.009 12.230 546 HD12 LEU 8 2HD1 LEU 8 13.878 15.076 10.469 547 HD13 LEU 8 3HD1 LEU 8 14.985 16.104 11.378 548 HD21 LEU 8 3HD2 LEU 8 16.932 15.120 12.540 549 HD22 LEU 8 1HD2 LEU 8 17.267 13.394 12.412 550 HD23 LEU 8 2HD2 LEU 8 15.922 13.959 13.402 551 H ASN 9 H ASN 9 16.842 9.176 11.237 552 HA ASN 9 HA ASN 9 16.174 7.056 11.643 553 HB2 ASN 9 2HB ASN 9 13.577 8.320 12.527 554 HB3 ASN 9 1HB ASN 9 13.958 6.609 12.686 555 HD21 ASN 9 1HD2 ASN 9 14.394 9.760 13.968 556 HD22 ASN 9 2HD2 ASN 9 15.384 9.311 15.325 557 H GLY 10 H GLY 10 13.770 8.976 9.881 558 HA2 GLY 10 2HA GLY 10 13.544 6.893 7.894 559 HA3 GLY 10 1HA GLY 10 12.119 7.082 8.903 560 H ILE 11 H ILE 11 11.833 7.388 6.298 561 HA ILE 11 HA ILE 11 11.859 10.284 5.750 562 HB ILE 11 HB ILE 11 11.664 8.074 3.693 563 HG12 ILE 11 2HG1 ILE 11 13.788 7.816 4.880 564 HG13 ILE 11 1HG1 ILE 11 14.056 8.397 3.239 565 HG21 ILE 11 1HG2 ILE 11 10.877 10.198 2.888 566 HG22 ILE 11 2HG2 ILE 11 12.431 9.836 2.140 567 HG23 ILE 11 3HG2 ILE 11 12.340 11.000 3.462 568 HD11 ILE 11 3HD1 ILE 11 14.108 10.069 5.739 569 HD12 ILE 11 1HD1 ILE 11 14.351 10.666 4.098 570 HD13 ILE 11 2HD1 ILE 11 15.506 9.534 4.805 571 H LYS 12 H LYS 12 9.992 11.016 4.376 572 HA LYS 12 HA LYS 12 7.543 9.898 5.529 573 HB2 LYS 12 2HB LYS 12 7.889 12.216 6.032 574 HB3 LYS 12 1HB LYS 12 8.213 12.597 4.348 575 HG2 LYS 12 2HG LYS 12 6.020 13.382 4.977 576 HG3 LYS 12 1HG LYS 12 5.879 12.085 3.794 577 HD2 LYS 12 2HD LYS 12 5.405 10.501 5.619 578 HD3 LYS 12 1HD LYS 12 5.490 11.831 6.775 579 HE2 LYS 12 2HE LYS 12 3.575 11.718 4.452 580 HE3 LYS 12 1HE LYS 12 3.175 11.205 6.090 581 HZ1 LYS 12 3HZ LYS 12 4.264 13.901 5.700 582 HZ2 LYS 12 1HZ LYS 12 3.163 13.336 6.858 583 HZ3 LYS 12 2HZ LYS 12 2.651 13.617 5.264 584 H LEU 13 H LEU 13 5.997 9.048 4.362 585 HA LEU 13 HA LEU 13 6.016 9.314 1.446 586 HB2 LEU 13 2HB LEU 13 5.546 6.890 1.245 587 HB3 LEU 13 1HB LEU 13 7.149 7.222 1.869 588 HG LEU 13 HG LEU 13 4.891 6.623 3.757 589 HD11 LEU 13 1HD1 LEU 13 4.860 4.812 2.146 590 HD12 LEU 13 2HD1 LEU 13 5.529 4.256 3.680 591 HD13 LEU 13 3HD1 LEU 13 6.601 4.600 2.322 592 HD21 LEU 13 3HD2 LEU 13 6.988 7.475 4.695 593 HD22 LEU 13 1HD2 LEU 13 7.879 6.182 3.889 594 HD23 LEU 13 2HD2 LEU 13 6.723 5.794 5.162 595 H GLY 14 H GLY 14 3.943 8.478 0.510 596 HA2 GLY 14 2HA GLY 14 1.711 8.496 2.409 597 HA3 GLY 14 1HA GLY 14 1.729 9.721 1.148 598 H VAL 15 H VAL 15 0.242 7.034 1.892 599 HA VAL 15 HA VAL 15 0.459 5.778 -0.761 600 HB VAL 15 HB VAL 15 -0.699 4.613 1.799 601 HG11 VAL 15 1HG1 VAL 15 -0.743 2.498 0.600 602 HG12 VAL 15 2HG1 VAL 15 -0.170 3.305 -0.861 603 HG13 VAL 15 3HG1 VAL 15 -1.758 3.698 -0.200 604 HG21 VAL 15 3HG2 VAL 15 1.279 3.178 1.798 605 HG22 VAL 15 1HG2 VAL 15 1.701 4.882 1.961 606 HG23 VAL 15 2HG2 VAL 15 1.915 4.065 0.413 607 H TYR 16 H TYR 16 -1.382 5.428 -2.018 608 HA TYR 16 HA TYR 16 -3.832 6.773 -1.083 609 HB2 TYR 16 2HB TYR 16 -2.599 6.514 -3.756 610 HB3 TYR 16 1HB TYR 16 -4.346 6.275 -3.693 611 HD1 TYR 16 1HD TYR 16 -5.034 8.147 -1.520 612 HD2 TYR 16 2HD TYR 16 -2.436 8.609 -4.846 613 HE1 TYR 16 1HE TYR 16 -5.440 10.554 -1.478 614 HE2 TYR 16 2HE TYR 16 -2.827 11.040 -4.816 615 HH TYR 16 HH TYR 16 -4.781 12.561 -3.996 616 H ILE 17 H ILE 17 -5.324 5.473 -0.336 617 HA ILE 17 HA ILE 17 -5.909 3.018 -1.812 618 HB ILE 17 HB ILE 17 -6.266 1.749 0.279 619 HG12 ILE 17 2HG1 ILE 17 -4.903 4.104 1.597 620 HG13 ILE 17 1HG1 ILE 17 -6.579 3.619 1.833 621 HG21 ILE 17 1HG2 ILE 17 -3.474 2.811 -0.106 622 HG22 ILE 17 2HG2 ILE 17 -4.208 1.450 -0.953 623 HG23 ILE 17 3HG2 ILE 17 -3.893 1.346 0.781 624 HD11 ILE 17 3HD1 ILE 17 -5.834 1.523 2.830 625 HD12 ILE 17 1HD1 ILE 17 -5.165 2.914 3.688 626 HD13 ILE 17 2HD1 ILE 17 -4.154 1.991 2.571 627 HA PRO 18 HA PRO 18 -10.120 4.240 -1.732 628 HB2 PRO 18 2HB PRO 18 -10.688 1.461 -0.812 629 HB3 PRO 18 1HB PRO 18 -11.373 2.359 -2.172 630 HG2 PRO 18 2HG PRO 18 -9.554 0.473 -2.598 631 HG3 PRO 18 1HG PRO 18 -9.518 1.987 -3.522 632 HD2 PRO 18 2HD PRO 18 -7.789 1.108 -1.246 633 HD3 PRO 18 1HD PRO 18 -7.367 2.053 -2.693 634 H GLN 19 H GLN 19 -11.757 4.860 -0.372 635 HA GLN 19 HA GLN 19 -11.170 5.217 2.349 636 HB2 GLN 19 2HB GLN 19 -13.428 6.083 2.586 637 HB3 GLN 19 1HB GLN 19 -12.700 6.693 1.105 638 HG2 GLN 19 2HG GLN 19 -14.005 5.260 -0.243 639 HG3 GLN 19 1HG GLN 19 -14.531 4.313 1.148 640 HE21 GLN 19 1HE2 GLN 19 -14.956 6.686 2.790 641 HE22 GLN 19 2HE2 GLN 19 -16.411 7.414 2.216 642 H GLU 20 H GLU 20 -12.778 2.666 0.645 643 HA GLU 20 HA GLU 20 -14.106 1.385 2.733 644 HB2 GLU 20 2HB GLU 20 -12.693 0.151 0.360 645 HB3 GLU 20 1HB GLU 20 -13.899 -0.648 1.362 646 HG2 GLU 20 2HG GLU 20 -14.347 1.780 -0.364 647 HG3 GLU 20 1HG GLU 20 -14.877 0.134 -0.716 648 H TRP 21 H TRP 21 -10.727 1.471 1.846 649 HA TRP 21 HA TRP 21 -9.904 -0.614 3.639 650 HB2 TRP 21 2HB TRP 21 -8.396 1.616 2.264 651 HB3 TRP 21 1HB TRP 21 -7.620 0.440 3.312 652 HD1 TRP 21 HD TRP 21 -10.226 -0.547 0.629 653 HE1 TRP 21 1HE TRP 21 -9.015 -1.986 -1.141 654 HE3 TRP 21 3HE TRP 21 -5.476 -0.103 2.393 655 HZ2 TRP 21 2HZ TRP 21 -6.342 -2.818 -1.687 656 HZ3 TRP 21 3HZ TRP 21 -3.649 -1.224 1.207 657 HH2 TRP 21 HH TRP 21 -4.061 -2.534 -0.783 658 H HIS 22 H HIS 22 -9.956 2.909 3.610 659 HA HIS 22 HA HIS 22 -8.721 3.461 6.018 660 HB2 HIS 22 2HB HIS 22 -10.912 4.852 4.508 661 HB3 HIS 22 1HB HIS 22 -10.420 5.448 6.093 662 HD1 HIS 22 1HD HIS 22 -8.657 7.162 6.026 663 HD2 HIS 22 2HD HIS 22 -8.505 4.653 2.703 664 HE1 HIS 22 1HE HIS 22 -6.791 8.053 4.584 665 HE2 HIS 22 2HE HIS 22 -6.672 6.481 2.612 666 H ASP 23 H ASP 23 -12.185 2.858 5.466 667 HA ASP 23 HA ASP 23 -12.961 3.126 8.140 668 HB2 ASP 23 2HB ASP 23 -14.632 3.175 6.425 669 HB3 ASP 23 1HB ASP 23 -14.215 1.545 5.898 670 H ARG 24 H ARG 24 -12.084 0.153 6.341 671 HA ARG 24 HA ARG 24 -12.755 -1.531 8.554 672 HB2 ARG 24 2HB ARG 24 -10.921 -2.273 6.275 673 HB3 ARG 24 1HB ARG 24 -11.881 -3.350 7.271 674 HG2 ARG 24 2HG ARG 24 -12.947 -1.380 5.261 675 HG3 ARG 24 1HG ARG 24 -12.807 -3.122 5.040 676 HD2 ARG 24 2HD ARG 24 -14.361 -3.423 6.963 677 HD3 ARG 24 1HD ARG 24 -14.582 -1.673 7.004 678 HE ARG 24 HE ARG 24 -15.633 -3.544 5.043 679 HH11 ARG 24 1HH1 ARG 24 -15.127 -0.154 5.867 680 HH12 ARG 24 2HH1 ARG 24 -16.155 0.421 4.588 681 HH21 ARG 24 1HH2 ARG 24 -16.962 -2.764 3.389 682 HH22 ARG 24 2HH2 ARG 24 -17.188 -1.056 3.184 683 H LEU 25 H LEU 25 -9.708 -0.332 7.205 684 HA LEU 25 HA LEU 25 -8.024 -1.730 8.994 685 HB2 LEU 25 2HB LEU 25 -7.501 0.784 7.406 686 HB3 LEU 25 1HB LEU 25 -6.272 -0.147 8.240 687 HG LEU 25 HG LEU 25 -7.947 -1.114 5.922 688 HD11 LEU 25 1HD1 LEU 25 -6.282 0.520 5.259 689 HD12 LEU 25 2HD1 LEU 25 -5.820 -1.089 4.706 690 HD13 LEU 25 3HD1 LEU 25 -5.030 -0.380 6.114 691 HD21 LEU 25 3HD2 LEU 25 -6.532 -3.095 5.966 692 HD22 LEU 25 1HD2 LEU 25 -7.407 -2.920 7.486 693 HD23 LEU 25 2HD2 LEU 25 -5.700 -2.486 7.397 694 H MET 26 H MET 26 -9.274 1.614 9.012 695 HA MET 26 HA MET 26 -7.901 2.366 11.359 696 HB2 MET 26 2HB MET 26 -10.353 3.509 10.043 697 HB3 MET 26 1HB MET 26 -9.646 4.200 11.498 698 HG2 MET 26 2HG MET 26 -8.234 3.859 8.862 699 HG3 MET 26 1HG MET 26 -8.926 5.360 9.471 700 HE1 MET 26 3HE MET 26 -6.674 6.136 12.563 701 HE2 MET 26 1HE MET 26 -8.206 5.261 12.563 702 HE3 MET 26 2HE MET 26 -8.003 6.689 11.546 703 H GLU 27 H GLU 27 -10.838 0.573 10.893 704 HA GLU 27 HA GLU 27 -11.856 0.920 13.516 705 HB2 GLU 27 2HB GLU 27 -13.156 0.004 11.589 706 HB3 GLU 27 1HB GLU 27 -12.207 -1.471 11.703 707 HG2 GLU 27 2HG GLU 27 -13.127 -2.021 13.799 708 HG3 GLU 27 1HG GLU 27 -13.821 -0.412 14.000 709 H ILE 28 H ILE 28 -9.851 -1.622 12.050 710 HA ILE 28 HA ILE 28 -9.266 -3.012 14.442 711 HB ILE 28 HB ILE 28 -7.524 -2.696 11.984 712 HG12 ILE 28 2HG1 ILE 28 -9.761 -3.589 11.453 713 HG13 ILE 28 1HG1 ILE 28 -8.503 -4.796 11.211 714 HG21 ILE 28 1HG2 ILE 28 -6.491 -4.805 12.689 715 HG22 ILE 28 2HG2 ILE 28 -7.473 -4.788 14.153 716 HG23 ILE 28 3HG2 ILE 28 -6.267 -3.530 13.886 717 HD11 ILE 28 3HD1 ILE 28 -10.372 -4.622 13.566 718 HD12 ILE 28 1HD1 ILE 28 -9.090 -5.816 13.363 719 HD13 ILE 28 2HD1 ILE 28 -10.452 -5.785 12.243 720 H ALA 29 H ALA 29 -7.955 -0.216 12.869 721 HA ALA 29 HA ALA 29 -5.632 0.169 14.406 722 HB1 ALA 29 1HB ALA 29 -5.585 2.367 13.447 723 HB2 ALA 29 2HB ALA 29 -7.288 2.252 13.007 724 HB3 ALA 29 3HB ALA 29 -6.101 1.212 12.216 725 H LYS 30 H LYS 30 -8.969 0.764 15.121 726 HA LYS 30 HA LYS 30 -8.440 2.686 17.204 727 HB2 LYS 30 2HB LYS 30 -10.916 1.031 16.670 728 HB3 LYS 30 1HB LYS 30 -10.807 2.350 17.829 729 HG2 LYS 30 2HG LYS 30 -10.434 3.936 16.050 730 HG3 LYS 30 1HG LYS 30 -10.419 2.636 14.857 731 HD2 LYS 30 2HD LYS 30 -12.747 2.088 15.480 732 HD3 LYS 30 1HD LYS 30 -12.747 3.459 16.590 733 HE2 LYS 30 2HE LYS 30 -12.342 4.977 14.721 734 HE3 LYS 30 1HE LYS 30 -12.313 3.609 13.610 735 HZ1 LYS 30 3HZ LYS 30 -14.624 3.134 14.226 736 HZ2 LYS 30 1HZ LYS 30 -14.451 4.682 13.556 737 HZ3 LYS 30 2HZ LYS 30 -14.638 4.502 15.228 738 H GLU 31 H GLU 31 -9.217 -0.737 16.975 739 HA GLU 31 HA GLU 31 -9.267 -1.318 19.715 740 HB2 GLU 31 2HB GLU 31 -8.354 -3.103 17.458 741 HB3 GLU 31 1HB GLU 31 -8.783 -3.639 19.072 742 HG2 GLU 31 2HG GLU 31 -11.076 -2.795 18.686 743 HG3 GLU 31 1HG GLU 31 -10.609 -2.429 17.021 744 H LYS 32 H LYS 32 -6.576 -1.559 17.396 745 HA LYS 32 HA LYS 32 -4.833 -2.404 19.568 746 HB2 LYS 32 2HB LYS 32 -4.519 -2.449 16.578 747 HB3 LYS 32 1HB LYS 32 -3.181 -2.798 17.660 748 HG2 LYS 32 2HG LYS 32 -3.999 -4.893 17.114 749 HG3 LYS 32 1HG LYS 32 -4.735 -4.574 18.683 750 HD2 LYS 32 2HD LYS 32 -6.787 -3.799 17.483 751 HD3 LYS 32 1HD LYS 32 -6.036 -4.317 15.971 752 HE2 LYS 32 2HE LYS 32 -5.845 -6.603 16.902 753 HE3 LYS 32 1HE LYS 32 -6.698 -6.063 18.345 754 HZ1 LYS 32 3HZ LYS 32 -7.742 -6.360 15.595 755 HZ2 LYS 32 1HZ LYS 32 -8.551 -5.401 16.739 756 HZ3 LYS 32 2HZ LYS 32 -8.317 -7.055 17.025 757 H ASN 33 H ASN 33 -5.672 0.488 18.354 758 HA ASN 33 HA ASN 33 -4.817 2.582 18.394 759 HB2 ASN 33 2HB ASN 33 -4.153 2.005 20.703 760 HB3 ASN 33 1HB ASN 33 -2.625 1.374 20.099 761 HD21 ASN 33 1HD2 ASN 33 -1.408 2.812 21.285 762 HD22 ASN 33 2HD2 ASN 33 -1.322 4.498 20.895 763 H LEU 34 H LEU 34 -4.504 1.841 16.123 764 HA LEU 34 HA LEU 34 -1.705 2.203 15.299 765 HB2 LEU 34 2HB LEU 34 -3.695 0.260 14.099 766 HB3 LEU 34 1HB LEU 34 -2.094 0.591 13.463 767 HG LEU 34 HG LEU 34 -2.615 -0.616 16.180 768 HD11 LEU 34 1HD1 LEU 34 -1.868 -1.949 13.577 769 HD12 LEU 34 2HD1 LEU 34 -3.396 -2.121 14.442 770 HD13 LEU 34 3HD1 LEU 34 -1.905 -2.733 15.157 771 HD21 LEU 34 3HD2 LEU 34 -0.475 0.550 15.988 772 HD22 LEU 34 1HD2 LEU 34 -0.091 -0.379 14.540 773 HD23 LEU 34 2HD2 LEU 34 -0.243 -1.194 16.097 774 H THR 35 H THR 35 -1.579 2.962 12.999 775 HA THR 35 HA THR 35 -4.090 4.227 12.115 776 HB THR 35 HB THR 35 -2.730 5.741 10.745 777 HG1 THR 35 1HG THR 35 -0.430 4.656 12.044 778 HG21 THR 35 3HG2 THR 35 -1.866 5.661 13.636 779 HG22 THR 35 1HG2 THR 35 -3.283 6.485 12.986 780 HG23 THR 35 2HG2 THR 35 -1.665 7.039 12.553 781 H LEU 36 H LEU 36 -4.462 4.115 9.719 782 HA LEU 36 HA LEU 36 -3.926 1.587 8.599 783 HB2 LEU 36 2HB LEU 36 -4.813 2.410 6.547 784 HB3 LEU 36 1HB LEU 36 -5.769 3.057 7.862 785 HG LEU 36 HG LEU 36 -3.627 4.618 6.420 786 HD11 LEU 36 1HD1 LEU 36 -5.378 3.989 4.873 787 HD12 LEU 36 2HD1 LEU 36 -5.488 5.708 5.256 788 HD13 LEU 36 3HD1 LEU 36 -6.608 4.564 5.998 789 HD21 LEU 36 3HD2 LEU 36 -4.121 5.486 8.636 790 HD22 LEU 36 1HD2 LEU 36 -5.849 5.467 8.282 791 HD23 LEU 36 2HD2 LEU 36 -4.780 6.559 7.402 792 H SER 37 H SER 37 -2.152 4.582 8.493 793 HA SER 37 HA SER 37 -0.149 3.897 6.680 794 HB2 SER 37 2HB SER 37 0.215 5.401 9.284 795 HB3 SER 37 1HB SER 37 1.212 5.532 7.837 796 HG SER 37 HG SER 37 -0.123 7.212 7.633 797 H ASP 38 H ASP 38 -0.420 3.253 10.169 798 HA ASP 38 HA ASP 38 1.989 1.799 10.416 799 HB2 ASP 38 2HB ASP 38 -0.522 1.847 12.084 800 HB3 ASP 38 1HB ASP 38 0.854 0.830 12.494 801 H VAL 39 H VAL 39 -1.345 0.764 9.801 802 HA VAL 39 HA VAL 39 -0.841 -2.016 9.866 803 HB VAL 39 HB VAL 39 -2.967 -0.546 8.288 804 HG11 VAL 39 1HG1 VAL 39 -2.839 -3.433 9.160 805 HG12 VAL 39 2HG1 VAL 39 -2.640 -2.844 7.510 806 HG13 VAL 39 3HG1 VAL 39 -4.190 -2.662 8.332 807 HG21 VAL 39 3HG2 VAL 39 -3.062 -0.038 10.679 808 HG22 VAL 39 1HG2 VAL 39 -3.089 -1.762 11.046 809 HG23 VAL 39 2HG2 VAL 39 -4.435 -1.023 10.179 810 H CYS 40 H CYS 40 -0.763 0.344 7.250 811 HA CYS 40 HA CYS 40 -0.233 -1.463 5.151 812 HB2 CYS 40 2HB CYS 40 -0.869 1.156 5.316 813 HB3 CYS 40 1HB CYS 40 0.857 1.312 4.998 814 HG CYS 40 HG CYS 40 -1.156 1.427 2.762 815 H ARG 41 H ARG 41 1.844 0.399 7.295 816 HA ARG 41 HA ARG 41 4.361 -0.427 6.441 817 HB2 ARG 41 2HB ARG 41 4.011 1.413 7.992 818 HB3 ARG 41 1HB ARG 41 3.331 0.327 9.186 819 HG2 ARG 41 2HG ARG 41 6.147 -0.034 8.256 820 HG3 ARG 41 1HG ARG 41 5.748 1.201 9.447 821 HD2 ARG 41 2HD ARG 41 4.763 -0.516 10.892 822 HD3 ARG 41 1HD ARG 41 5.169 -1.752 9.700 823 HE ARG 41 HE ARG 41 7.485 -0.285 10.461 824 HH11 ARG 41 1HH1 ARG 41 5.283 -2.751 11.615 825 HH12 ARG 41 2HH1 ARG 41 6.454 -3.503 12.656 826 HH21 ARG 41 1HH2 ARG 41 9.035 -1.270 11.841 827 HH22 ARG 41 2HH2 ARG 41 8.577 -2.648 12.797 828 H LEU 42 H LEU 42 2.162 -1.901 8.815 829 HA LEU 42 HA LEU 42 3.901 -3.971 9.637 830 HB2 LEU 42 2HB LEU 42 0.878 -3.951 9.599 831 HB3 LEU 42 1HB LEU 42 1.877 -5.063 10.513 832 HG LEU 42 HG LEU 42 1.782 -2.077 10.959 833 HD11 LEU 42 1HD1 LEU 42 0.510 -2.589 12.964 834 HD12 LEU 42 2HD1 LEU 42 0.528 -4.306 12.559 835 HD13 LEU 42 3HD1 LEU 42 -0.338 -3.166 11.530 836 HD21 LEU 42 3HD2 LEU 42 3.910 -3.039 11.606 837 HD22 LEU 42 1HD2 LEU 42 3.088 -4.303 12.523 838 HD23 LEU 42 2HD2 LEU 42 2.975 -2.622 13.042 839 H ALA 43 H ALA 43 1.774 -3.588 6.944 840 HA ALA 43 HA ALA 43 1.566 -6.320 6.217 841 HB1 ALA 43 1HB ALA 43 1.177 -3.846 4.542 842 HB2 ALA 43 2HB ALA 43 -0.059 -4.637 5.521 843 HB3 ALA 43 3HB ALA 43 0.638 -5.473 4.133 844 H ILE 44 H ILE 44 3.662 -3.657 5.051 845 HA ILE 44 HA ILE 44 4.959 -5.289 3.120 846 HB ILE 44 HB ILE 44 6.850 -3.438 3.504 847 HG12 ILE 44 2HG1 ILE 44 4.293 -2.162 4.499 848 HG13 ILE 44 1HG1 ILE 44 5.793 -2.364 5.402 849 HG21 ILE 44 1HG2 ILE 44 5.690 -2.096 1.770 850 HG22 ILE 44 2HG2 ILE 44 4.266 -3.110 2.006 851 HG23 ILE 44 3HG2 ILE 44 5.767 -3.821 1.418 852 HD11 ILE 44 3HD1 ILE 44 5.534 -0.075 4.628 853 HD12 ILE 44 1HD1 ILE 44 5.428 -0.640 2.960 854 HD13 ILE 44 2HD1 ILE 44 6.928 -0.843 3.865 855 H LYS 45 H LYS 45 5.492 -4.668 6.504 856 HA LYS 45 HA LYS 45 8.039 -5.774 6.730 857 HB2 LYS 45 2HB LYS 45 7.010 -4.595 8.585 858 HB3 LYS 45 1HB LYS 45 5.761 -5.828 8.712 859 HG2 LYS 45 2HG LYS 45 7.325 -7.453 9.464 860 HG3 LYS 45 1HG LYS 45 8.690 -6.399 9.093 861 HD2 LYS 45 2HD LYS 45 8.028 -4.858 10.824 862 HD3 LYS 45 1HD LYS 45 6.560 -5.785 11.138 863 HE2 LYS 45 2HE LYS 45 8.348 -6.209 12.792 864 HE3 LYS 45 1HE LYS 45 7.851 -7.659 11.922 865 HZ1 LYS 45 3HZ LYS 45 10.207 -6.041 11.122 866 HZ2 LYS 45 1HZ LYS 45 9.799 -7.609 10.620 867 HZ3 LYS 45 2HZ LYS 45 10.311 -7.336 12.215 868 H GLU 46 H GLU 46 4.839 -7.353 6.846 869 HA GLU 46 HA GLU 46 5.968 -9.972 7.101 870 HB2 GLU 46 2HB GLU 46 3.685 -9.575 7.876 871 HB3 GLU 46 1HB GLU 46 3.186 -9.131 6.246 872 HG2 GLU 46 2HG GLU 46 3.559 -11.359 5.455 873 HG3 GLU 46 1HG GLU 46 4.280 -11.837 6.988 874 H TYR 47 H TYR 47 5.036 -7.870 4.489 875 HA TYR 47 HA TYR 47 5.017 -9.697 2.384 876 HB2 TYR 47 2HB TYR 47 4.261 -7.331 2.239 877 HB3 TYR 47 1HB TYR 47 5.939 -6.815 2.317 878 HD1 TYR 47 2HD TYR 47 3.385 -8.440 0.229 879 HD2 TYR 47 1HD TYR 47 7.383 -6.981 0.379 880 HE1 TYR 47 2HE TYR 47 3.530 -8.594 -2.218 881 HE2 TYR 47 1HE TYR 47 7.531 -7.131 -2.070 882 HH TYR 47 HH TYR 47 4.819 -7.569 -4.045 883 H LEU 48 H LEU 48 7.654 -7.869 3.861 884 HA LEU 48 HA LEU 48 9.703 -8.747 2.127 885 HB2 LEU 48 2HB LEU 48 9.886 -7.873 5.012 886 HB3 LEU 48 1HB LEU 48 11.243 -8.026 3.913 887 HG LEU 48 HG LEU 48 8.964 -6.062 3.654 888 HD11 LEU 48 1HD1 LEU 48 11.865 -5.675 4.371 889 HD12 LEU 48 2HD1 LEU 48 10.486 -5.490 5.454 890 HD13 LEU 48 3HD1 LEU 48 10.695 -4.383 4.099 891 HD21 LEU 48 3HD2 LEU 48 10.264 -5.119 1.800 892 HD22 LEU 48 1HD2 LEU 48 9.763 -6.778 1.467 893 HD23 LEU 48 2HD2 LEU 48 11.425 -6.440 1.950 894 H ASP 49 H ASP 49 8.756 -9.852 5.367 895 HA ASP 49 HA ASP 49 10.673 -11.912 5.524 896 HB2 ASP 49 2HB ASP 49 9.530 -10.871 7.462 897 HB3 ASP 49 1HB ASP 49 8.051 -11.712 7.006 898 H ASN 50 H ASN 50 7.543 -11.799 4.045 899 HA ASN 50 HA ASN 50 7.031 -14.611 4.090 900 HB2 ASN 50 2HB ASN 50 5.231 -12.910 3.863 901 HB3 ASN 50 1HB ASN 50 5.858 -12.492 2.269 902 HD21 ASN 50 1HD2 ASN 50 4.073 -13.077 1.123 903 HD22 ASN 50 2HD2 ASN 50 3.544 -14.728 0.974 904 H HIS 51 H HIS 51 8.492 -12.378 1.800 905 HA HIS 51 HA HIS 51 8.973 -14.550 -0.083 906 HB2 HIS 51 2HB HIS 51 9.688 -11.609 -0.212 907 HB3 HIS 51 1HB HIS 51 10.035 -12.773 -1.488 908 HD1 HIS 51 1HD HIS 51 8.147 -13.312 -3.104 909 HD2 HIS 51 2HD HIS 51 6.877 -11.101 0.179 910 HE1 HIS 51 1HE HIS 51 5.766 -12.668 -3.598 911 HE2 HIS 51 2HE HIS 51 4.955 -11.528 -1.495 912 H ASP 52 H ASP 52 10.464 -12.815 2.436 913 HA ASP 52 HA ASP 52 12.148 -13.365 3.807 914 HB2 ASP 52 2HB ASP 52 11.205 -15.641 3.444 915 HB3 ASP 52 1HB ASP 52 12.417 -15.894 2.192 916 H LYS 53 H LYS 53 13.337 -14.846 0.811 917 HA LYS 53 HA LYS 53 15.516 -13.029 0.496 918 HB2 LYS 53 2HB LYS 53 16.268 -14.224 2.529 919 HB3 LYS 53 1HB LYS 53 16.104 -15.757 1.687 920 HG2 LYS 53 2HG LYS 53 17.825 -14.897 0.047 921 HG3 LYS 53 1HG LYS 53 18.097 -13.567 1.175 922 HD2 LYS 53 2HD LYS 53 18.581 -15.238 2.948 923 HD3 LYS 53 1HD LYS 53 18.433 -16.513 1.738 924 HE2 LYS 53 2HE LYS 53 20.748 -16.070 1.964 925 HE3 LYS 53 1HE LYS 53 20.244 -15.338 0.442 926 HZ1 LYS 53 3HZ LYS 53 21.663 -13.836 1.643 927 HZ2 LYS 53 1HZ LYS 53 20.675 -13.927 3.021 928 HZ3 LYS 53 2HZ LYS 53 20.093 -13.195 1.609 929 H GLN 54 H GLN 54 14.139 -16.197 -0.009 930 HA GLN 54 HA GLN 54 15.633 -16.674 -2.429 931 HB2 GLN 54 2HB GLN 54 14.291 -18.806 -2.463 932 HB3 GLN 54 1HB GLN 54 15.276 -18.570 -1.027 933 HG2 GLN 54 2HG GLN 54 13.259 -17.763 0.168 934 HG3 GLN 54 1HG GLN 54 12.303 -18.146 -1.261 935 HE21 GLN 54 1HE2 GLN 54 14.080 -19.397 1.420 936 HE22 GLN 54 2HE2 GLN 54 13.533 -21.039 1.296 937 H LYS 55 H LYS 55 14.880 -14.936 -3.720 938 HA LYS 55 HA LYS 55 12.090 -14.916 -4.505 939 HB2 LYS 55 2HB LYS 55 14.420 -13.396 -5.700 940 HB3 LYS 55 1HB LYS 55 12.716 -13.096 -6.007 941 HG2 LYS 55 2HG LYS 55 12.456 -12.569 -3.576 942 HG3 LYS 55 1HG LYS 55 14.211 -12.675 -3.435 943 HD2 LYS 55 2HD LYS 55 14.421 -10.910 -5.153 944 HD3 LYS 55 1HD LYS 55 12.664 -10.770 -5.190 945 HE2 LYS 55 2HE LYS 55 13.491 -9.033 -3.786 946 HE3 LYS 55 1HE LYS 55 12.736 -10.243 -2.747 947 HZ1 LYS 55 3HZ LYS 55 15.642 -9.855 -3.223 948 HZ2 LYS 55 1HZ LYS 55 14.988 -11.159 -2.359 949 HZ3 LYS 55 2HZ LYS 55 14.800 -9.580 -1.776 950 H LYS 56 H LYS 56 11.983 -17.086 -5.217 951 HA LYS 56 HA LYS 56 13.602 -17.832 -7.532 952 HB2 LYS 56 2HB LYS 56 13.120 -19.342 -5.474 953 HB3 LYS 56 1HB LYS 56 11.535 -19.572 -6.202 954 HG2 LYS 56 2HG LYS 56 12.827 -21.398 -6.906 955 HG3 LYS 56 1HG LYS 56 12.757 -20.308 -8.294 956 HD2 LYS 56 2HD LYS 56 14.969 -19.399 -7.633 957 HD3 LYS 56 1HD LYS 56 15.039 -20.598 -6.341 958 HE2 LYS 56 2HE LYS 56 16.298 -21.477 -8.143 959 HE3 LYS 56 1HE LYS 56 14.773 -22.362 -8.123 960 HZ1 LYS 56 3HZ LYS 56 13.969 -20.919 -9.900 961 HZ2 LYS 56 1HZ LYS 56 15.386 -21.728 -10.366 962 HZ3 LYS 56 2HZ LYS 56 15.447 -20.090 -9.919 Start of MODEL 17 1 H1 GLY 2 1HT GLY 2 -19.119 11.939 -13.069 2 H2 GLY 2 2HT GLY 2 -18.565 13.503 -13.424 3 H3 GLY 2 3HT GLY 2 -20.192 13.097 -13.688 4 HA2 GLY 2 1HA GLY 2 -19.919 14.435 -11.686 5 HA3 GLY 2 2HA GLY 2 -20.571 12.836 -11.346 6 H ARG 3 H ARG 3 -19.655 13.710 -9.182 7 HA ARG 3 HA ARG 3 -16.835 12.880 -8.951 8 HB2 ARG 3 2HB ARG 3 -18.482 14.664 -7.146 9 HB3 ARG 3 1HB ARG 3 -16.833 14.157 -6.816 10 HG2 ARG 3 2HG ARG 3 -16.066 15.322 -8.818 11 HG3 ARG 3 1HG ARG 3 -17.723 15.827 -9.159 12 HD2 ARG 3 2HD ARG 3 -17.763 16.988 -6.967 13 HD3 ARG 3 1HD ARG 3 -16.075 16.550 -6.740 14 HE ARG 3 HE ARG 3 -15.449 18.091 -8.374 15 HH11 ARG 3 1HH1 ARG 3 -18.959 17.973 -8.107 16 HH12 ARG 3 2HH1 ARG 3 -19.174 19.557 -8.784 17 HH21 ARG 3 1HH2 ARG 3 -15.769 20.179 -9.274 18 HH22 ARG 3 2HH2 ARG 3 -17.386 20.792 -9.453 19 HA PRO 4 HA PRO 4 -18.403 9.452 -6.532 20 HB2 PRO 4 2HB PRO 4 -15.653 9.098 -5.599 21 HB3 PRO 4 1HB PRO 4 -16.630 8.035 -6.616 22 HG2 PRO 4 2HG PRO 4 -14.506 9.397 -7.575 23 HG3 PRO 4 1HG PRO 4 -15.932 9.033 -8.565 24 HD2 PRO 4 2HD PRO 4 -15.199 11.585 -7.164 25 HD3 PRO 4 1HD PRO 4 -15.856 11.345 -8.802 26 H TYR 5 H TYR 5 -17.001 8.743 -4.127 27 HA TYR 5 HA TYR 5 -18.257 10.693 -2.424 28 HB2 TYR 5 2HB TYR 5 -16.788 8.135 -1.771 29 HB3 TYR 5 1HB TYR 5 -17.644 9.126 -0.596 30 HD1 TYR 5 1HD TYR 5 -20.081 9.211 -0.583 31 HD2 TYR 5 2HD TYR 5 -17.987 6.744 -3.344 32 HE1 TYR 5 1HE TYR 5 -22.161 7.996 -1.067 33 HE2 TYR 5 2HE TYR 5 -20.063 5.519 -3.831 34 HH TYR 5 HH TYR 5 -23.147 6.623 -2.696 35 H LYS 6 H LYS 6 -17.348 12.257 -1.355 36 HA LYS 6 HA LYS 6 -15.867 13.701 -0.461 37 HB2 LYS 6 2HB LYS 6 -14.050 11.308 -0.162 38 HB3 LYS 6 1HB LYS 6 -13.940 12.824 0.722 39 HG2 LYS 6 2HG LYS 6 -16.197 10.838 0.878 40 HG3 LYS 6 1HG LYS 6 -14.932 11.083 2.080 41 HD2 LYS 6 2HD LYS 6 -16.876 13.222 1.219 42 HD3 LYS 6 1HD LYS 6 -17.123 12.177 2.618 43 HE2 LYS 6 2HE LYS 6 -14.768 14.018 2.219 44 HE3 LYS 6 1HE LYS 6 -16.176 14.377 3.217 45 HZ1 LYS 6 3HZ LYS 6 -15.604 12.303 4.487 46 HZ2 LYS 6 1HZ LYS 6 -14.504 13.587 4.651 47 HZ3 LYS 6 2HZ LYS 6 -14.135 12.276 3.646 48 H LEU 7 H LEU 7 -13.471 11.561 -1.968 49 HA LEU 7 HA LEU 7 -12.756 13.658 -3.859 50 HB2 LEU 7 2HB LEU 7 -11.447 14.166 -1.839 51 HB3 LEU 7 1HB LEU 7 -10.803 12.536 -1.841 52 HG LEU 7 HG LEU 7 -9.716 13.008 -4.028 53 HD11 LEU 7 1HD1 LEU 7 -10.636 15.831 -3.514 54 HD12 LEU 7 2HD1 LEU 7 -11.203 14.774 -4.807 55 HD13 LEU 7 3HD1 LEU 7 -9.523 15.319 -4.785 56 HD21 LEU 7 3HD2 LEU 7 -9.008 14.881 -1.778 57 HD22 LEU 7 1HD2 LEU 7 -7.953 14.436 -3.120 58 HD23 LEU 7 2HD2 LEU 7 -8.465 13.213 -1.958 59 H LEU 8 H LEU 8 -13.674 11.965 -5.206 60 HA LEU 8 HA LEU 8 -13.459 10.363 -6.804 61 HB2 LEU 8 2HB LEU 8 -10.521 10.665 -6.203 62 HB3 LEU 8 1HB LEU 8 -11.188 9.838 -7.596 63 HG LEU 8 HG LEU 8 -11.562 12.776 -7.016 64 HD11 LEU 8 1HD1 LEU 8 -9.227 12.258 -7.479 65 HD12 LEU 8 2HD1 LEU 8 -9.957 13.130 -8.826 66 HD13 LEU 8 3HD1 LEU 8 -9.698 11.389 -8.940 67 HD21 LEU 8 3HD2 LEU 8 -12.178 11.117 -9.459 68 HD22 LEU 8 1HD2 LEU 8 -12.360 12.866 -9.330 69 HD23 LEU 8 2HD2 LEU 8 -13.361 11.799 -8.344 70 H ASN 9 H ASN 9 -13.548 9.594 -3.873 71 HA ASN 9 HA ASN 9 -13.303 7.818 -2.484 72 HB2 ASN 9 2HB ASN 9 -14.706 6.757 -4.250 73 HB3 ASN 9 1HB ASN 9 -13.238 6.211 -5.053 74 HD21 ASN 9 1HD2 ASN 9 -13.926 4.067 -4.849 75 HD22 ASN 9 2HD2 ASN 9 -13.838 3.223 -3.343 76 H GLY 10 H GLY 10 -11.084 9.133 -2.672 77 HA2 GLY 10 2HA GLY 10 -9.059 7.108 -2.275 78 HA3 GLY 10 1HA GLY 10 -8.739 8.226 -3.597 79 H ILE 11 H ILE 11 -8.488 7.688 -0.314 80 HA ILE 11 HA ILE 11 -8.362 10.549 0.353 81 HB ILE 11 HB ILE 11 -8.541 8.219 2.275 82 HG12 ILE 11 2HG1 ILE 11 -10.525 8.201 0.863 83 HG13 ILE 11 1HG1 ILE 11 -10.939 8.748 2.485 84 HG21 ILE 11 1HG2 ILE 11 -9.369 9.939 3.853 85 HG22 ILE 11 2HG2 ILE 11 -9.009 11.172 2.643 86 HG23 ILE 11 3HG2 ILE 11 -7.706 10.205 3.335 87 HD11 ILE 11 3HD1 ILE 11 -10.579 10.483 0.052 88 HD12 ILE 11 1HD1 ILE 11 -10.894 11.074 1.684 89 HD13 ILE 11 2HD1 ILE 11 -12.099 10.085 0.857 90 H LYS 12 H LYS 12 -6.694 11.108 2.013 91 HA LYS 12 HA LYS 12 -4.154 10.079 1.010 92 HB2 LYS 12 2HB LYS 12 -4.347 12.401 0.666 93 HB3 LYS 12 1HB LYS 12 -5.058 12.664 2.249 94 HG2 LYS 12 2HG LYS 12 -2.845 13.554 2.233 95 HG3 LYS 12 1HG LYS 12 -2.872 12.130 3.272 96 HD2 LYS 12 2HD LYS 12 -1.896 10.797 1.475 97 HD3 LYS 12 1HD LYS 12 -1.887 12.216 0.422 98 HE2 LYS 12 2HE LYS 12 -0.373 11.894 3.011 99 HE3 LYS 12 1HE LYS 12 0.314 11.855 1.388 100 HZ1 LYS 12 3HZ LYS 12 -0.430 14.158 1.093 101 HZ2 LYS 12 1HZ LYS 12 0.653 14.005 2.386 102 HZ3 LYS 12 2HZ LYS 12 -1.005 14.186 2.687 103 H LEU 13 H LEU 13 -2.783 9.033 2.235 104 HA LEU 13 HA LEU 13 -2.985 9.212 5.149 105 HB2 LEU 13 2HB LEU 13 -2.473 6.776 5.280 106 HB3 LEU 13 1HB LEU 13 -4.058 7.141 4.631 107 HG LEU 13 HG LEU 13 -1.755 6.590 2.785 108 HD11 LEU 13 1HD1 LEU 13 -3.550 4.527 4.056 109 HD12 LEU 13 2HD1 LEU 13 -1.827 4.728 4.362 110 HD13 LEU 13 3HD1 LEU 13 -2.386 4.232 2.764 111 HD21 LEU 13 3HD2 LEU 13 -4.751 6.288 2.571 112 HD22 LEU 13 1HD2 LEU 13 -3.600 5.769 1.341 113 HD23 LEU 13 2HD2 LEU 13 -3.742 7.481 1.747 114 H GLY 14 H GLY 14 -1.079 9.605 6.101 115 HA2 GLY 14 2HA GLY 14 1.305 9.447 4.385 116 HA3 GLY 14 1HA GLY 14 1.126 10.502 5.778 117 H VAL 15 H VAL 15 2.683 7.838 4.726 118 HA VAL 15 HA VAL 15 2.736 6.604 7.400 119 HB VAL 15 HB VAL 15 3.659 5.363 4.787 120 HG11 VAL 15 1HG1 VAL 15 3.701 3.279 6.052 121 HG12 VAL 15 2HG1 VAL 15 3.268 4.165 7.515 122 HG13 VAL 15 3HG1 VAL 15 4.813 4.473 6.723 123 HG21 VAL 15 3HG2 VAL 15 1.646 3.968 4.944 124 HG22 VAL 15 1HG2 VAL 15 1.261 5.677 4.730 125 HG23 VAL 15 2HG2 VAL 15 1.105 4.928 6.319 126 H TYR 16 H TYR 16 4.726 6.298 8.432 127 HA TYR 16 HA TYR 16 7.058 7.584 7.168 128 HB2 TYR 16 2HB TYR 16 6.076 7.521 9.956 129 HB3 TYR 16 1HB TYR 16 7.813 7.293 9.755 130 HD1 TYR 16 2HD TYR 16 8.840 8.985 7.949 131 HD2 TYR 16 1HD TYR 16 5.400 9.711 10.331 132 HE1 TYR 16 2HE TYR 16 9.183 11.387 7.683 133 HE2 TYR 16 1HE TYR 16 5.741 12.135 10.086 134 HH TYR 16 HH TYR 16 8.004 13.451 7.845 135 H ILE 17 H ILE 17 8.724 6.318 6.625 136 HA ILE 17 HA ILE 17 9.130 3.826 8.106 137 HB ILE 17 HB ILE 17 9.477 2.499 6.145 138 HG12 ILE 17 2HG1 ILE 17 8.815 4.961 4.513 139 HG13 ILE 17 1HG1 ILE 17 10.398 4.194 4.632 140 HG21 ILE 17 1HG2 ILE 17 7.218 2.440 5.218 141 HG22 ILE 17 2HG2 ILE 17 6.893 4.029 5.909 142 HG23 ILE 17 3HG2 ILE 17 7.197 2.650 6.968 143 HD11 ILE 17 3HD1 ILE 17 9.317 3.557 2.569 144 HD12 ILE 17 1HD1 ILE 17 7.910 2.976 3.463 145 HD13 ILE 17 2HD1 ILE 17 9.458 2.154 3.636 146 HA PRO 18 HA PRO 18 13.237 5.148 8.472 147 HB2 PRO 18 2HB PRO 18 14.124 2.349 8.160 148 HB3 PRO 18 1HB PRO 18 14.302 3.442 9.535 149 HG2 PRO 18 2HG PRO 18 12.568 1.414 9.607 150 HG3 PRO 18 1HG PRO 18 12.182 2.982 10.344 151 HD2 PRO 18 2HD PRO 18 11.277 1.846 7.721 152 HD3 PRO 18 1HD PRO 18 10.347 2.744 8.939 153 H GLN 19 H GLN 19 15.493 4.953 7.601 154 HA GLN 19 HA GLN 19 15.474 5.543 4.842 155 HB2 GLN 19 2HB GLN 19 17.093 6.559 6.324 156 HB3 GLN 19 1HB GLN 19 17.767 4.988 6.730 157 HG2 GLN 19 2HG GLN 19 19.207 6.180 5.189 158 HG3 GLN 19 1HG GLN 19 18.560 4.721 4.443 159 HE21 GLN 19 1HE2 GLN 19 17.105 4.896 2.755 160 HE22 GLN 19 2HE2 GLN 19 16.856 6.380 1.900 161 H GLU 20 H GLU 20 16.607 2.709 6.635 162 HA GLU 20 HA GLU 20 17.726 1.228 4.578 163 HB2 GLU 20 2HB GLU 20 16.174 0.311 7.002 164 HB3 GLU 20 1HB GLU 20 17.109 -0.764 5.971 165 HG2 GLU 20 2HG GLU 20 18.322 1.622 7.319 166 HG3 GLU 20 1HG GLU 20 18.221 0.040 8.093 167 H TRP 21 H TRP 21 14.398 1.807 5.340 168 HA TRP 21 HA TRP 21 13.305 -0.236 3.656 169 HB2 TRP 21 2HB TRP 21 12.234 2.176 5.078 170 HB3 TRP 21 1HB TRP 21 11.244 1.339 3.893 171 HD1 TRP 21 HD TRP 21 13.419 -0.305 6.692 172 HE1 TRP 21 1HE TRP 21 11.801 -1.671 8.177 173 HE3 TRP 21 3HE TRP 21 9.057 0.922 4.413 174 HZ2 TRP 21 2HZ TRP 21 8.989 -2.131 8.340 175 HZ3 TRP 21 3HZ TRP 21 6.959 0.019 5.273 176 HH2 TRP 21 HH TRP 21 6.905 -1.455 7.181 177 H HIS 22 H HIS 22 13.425 3.317 3.502 178 HA HIS 22 HA HIS 22 12.356 3.633 0.959 179 HB2 HIS 22 2HB HIS 22 12.881 5.440 2.683 180 HB3 HIS 22 1HB HIS 22 14.540 5.390 2.089 181 HD1 HIS 22 1HD HIS 22 15.026 6.514 -0.161 182 HD2 HIS 22 2HD HIS 22 10.999 6.523 0.885 183 HE1 HIS 22 1HE HIS 22 13.905 8.087 -1.775 184 HE2 HIS 22 2HE HIS 22 11.516 8.238 -0.980 185 H ASP 23 H ASP 23 15.625 2.916 1.974 186 HA ASP 23 HA ASP 23 16.948 3.307 -0.461 187 HB2 ASP 23 2HB ASP 23 18.052 3.011 1.739 188 HB3 ASP 23 1HB ASP 23 17.590 1.314 1.723 189 H ARG 24 H ARG 24 15.974 0.127 0.944 190 HA ARG 24 HA ARG 24 16.511 -1.115 -1.602 191 HB2 ARG 24 2HB ARG 24 15.688 -2.127 1.080 192 HB3 ARG 24 1HB ARG 24 15.410 -3.149 -0.324 193 HG2 ARG 24 2HG ARG 24 17.492 -3.802 0.513 194 HG3 ARG 24 1HG ARG 24 17.852 -2.797 -0.891 195 HD2 ARG 24 2HD ARG 24 19.327 -1.914 0.605 196 HD3 ARG 24 1HD ARG 24 17.924 -0.892 0.926 197 HE ARG 24 HE ARG 24 17.854 -3.177 2.586 198 HH11 ARG 24 1HH1 ARG 24 19.540 -0.109 2.214 199 HH12 ARG 24 2HH1 ARG 24 19.996 -0.026 3.898 200 HH21 ARG 24 1HH2 ARG 24 18.517 -3.107 4.743 201 HH22 ARG 24 2HH2 ARG 24 19.447 -1.755 5.331 202 H LEU 25 H LEU 25 13.575 -0.242 0.161 203 HA LEU 25 HA LEU 25 11.817 -1.744 -1.454 204 HB2 LEU 25 2HB LEU 25 11.461 0.598 0.365 205 HB3 LEU 25 1HB LEU 25 10.143 0.124 -0.685 206 HG LEU 25 HG LEU 25 9.856 -0.827 1.535 207 HD11 LEU 25 1HD1 LEU 25 9.614 -3.193 0.903 208 HD12 LEU 25 2HD1 LEU 25 10.559 -2.881 -0.552 209 HD13 LEU 25 3HD1 LEU 25 8.997 -2.095 -0.333 210 HD21 LEU 25 3HD2 LEU 25 11.381 -2.500 2.422 211 HD22 LEU 25 1HD2 LEU 25 12.210 -0.956 2.201 212 HD23 LEU 25 2HD2 LEU 25 12.460 -2.266 1.046 213 H MET 26 H MET 26 12.945 1.624 -1.703 214 HA MET 26 HA MET 26 11.379 2.225 -3.970 215 HB2 MET 26 2HB MET 26 13.921 3.455 -2.928 216 HB3 MET 26 1HB MET 26 13.099 4.045 -4.369 217 HG2 MET 26 2HG MET 26 11.843 3.840 -1.642 218 HG3 MET 26 1HG MET 26 12.547 5.307 -2.321 219 HE1 MET 26 3HE MET 26 11.687 5.046 -5.402 220 HE2 MET 26 1HE MET 26 11.580 6.547 -4.484 221 HE3 MET 26 2HE MET 26 10.185 5.971 -5.396 222 H GLU 27 H GLU 27 14.649 0.842 -3.675 223 HA GLU 27 HA GLU 27 15.154 0.908 -6.462 224 HB2 GLU 27 2HB GLU 27 16.287 -0.875 -4.308 225 HB3 GLU 27 1HB GLU 27 16.869 -0.855 -5.967 226 HG2 GLU 27 2HG GLU 27 16.978 1.362 -3.945 227 HG3 GLU 27 1HG GLU 27 18.325 0.507 -4.696 228 H ILE 28 H ILE 28 13.751 -1.587 -4.364 229 HA ILE 28 HA ILE 28 13.261 -3.492 -6.390 230 HB ILE 28 HB ILE 28 11.639 -2.943 -3.892 231 HG12 ILE 28 2HG1 ILE 28 13.803 -4.998 -4.398 232 HG13 ILE 28 1HG1 ILE 28 14.036 -3.498 -3.505 233 HG21 ILE 28 1HG2 ILE 28 11.690 -5.376 -5.673 234 HG22 ILE 28 2HG2 ILE 28 10.362 -4.227 -5.524 235 HG23 ILE 28 3HG2 ILE 28 10.812 -5.236 -4.151 236 HD11 ILE 28 3HD1 ILE 28 13.746 -5.419 -2.027 237 HD12 ILE 28 1HD1 ILE 28 12.159 -5.723 -2.734 238 HD13 ILE 28 2HD1 ILE 28 12.449 -4.241 -1.821 239 H ALA 29 H ALA 29 11.493 -0.674 -5.294 240 HA ALA 29 HA ALA 29 9.144 -1.023 -6.802 241 HB1 ALA 29 1HB ALA 29 10.404 1.544 -5.848 242 HB2 ALA 29 2HB ALA 29 9.312 0.522 -4.915 243 HB3 ALA 29 3HB ALA 29 8.731 1.335 -6.367 244 H LYS 30 H LYS 30 12.311 0.082 -7.693 245 HA LYS 30 HA LYS 30 11.508 1.446 -10.086 246 HB2 LYS 30 2HB LYS 30 14.218 0.225 -9.524 247 HB3 LYS 30 1HB LYS 30 13.850 1.535 -10.640 248 HG2 LYS 30 2HG LYS 30 13.554 1.737 -7.653 249 HG3 LYS 30 1HG LYS 30 14.996 2.225 -8.541 250 HD2 LYS 30 2HD LYS 30 13.685 3.861 -9.789 251 HD3 LYS 30 1HD LYS 30 12.224 3.346 -8.941 252 HE2 LYS 30 2HE LYS 30 13.203 5.413 -8.001 253 HE3 LYS 30 1HE LYS 30 13.122 4.094 -6.834 254 HZ1 LYS 30 3HZ LYS 30 15.247 5.374 -6.839 255 HZ2 LYS 30 1HZ LYS 30 15.569 4.754 -8.385 256 HZ3 LYS 30 2HZ LYS 30 15.441 3.705 -7.058 257 H GLU 31 H GLU 31 12.710 -1.711 -9.213 258 HA GLU 31 HA GLU 31 12.870 -2.860 -11.769 259 HB2 GLU 31 2HB GLU 31 12.263 -4.175 -9.115 260 HB3 GLU 31 1HB GLU 31 12.791 -5.010 -10.568 261 HG2 GLU 31 2HG GLU 31 14.932 -3.948 -10.478 262 HG3 GLU 31 1HG GLU 31 14.407 -2.898 -9.161 263 H LYS 32 H LYS 32 10.187 -2.510 -9.519 264 HA LYS 32 HA LYS 32 8.510 -4.257 -11.145 265 HB2 LYS 32 2HB LYS 32 8.345 -3.225 -8.350 266 HB3 LYS 32 1HB LYS 32 6.873 -3.749 -9.153 267 HG2 LYS 32 2HG LYS 32 7.794 -5.532 -7.804 268 HG3 LYS 32 1HG LYS 32 7.856 -5.962 -9.511 269 HD2 LYS 32 2HD LYS 32 10.225 -5.384 -9.581 270 HD3 LYS 32 1HD LYS 32 10.167 -4.896 -7.887 271 HE2 LYS 32 2HE LYS 32 9.685 -7.145 -7.198 272 HE3 LYS 32 1HE LYS 32 9.519 -7.667 -8.873 273 HZ1 LYS 32 3HZ LYS 32 12.030 -6.643 -7.662 274 HZ2 LYS 32 1HZ LYS 32 11.846 -7.247 -9.233 275 HZ3 LYS 32 2HZ LYS 32 11.668 -8.278 -7.898 276 H ASN 33 H ASN 33 9.169 -1.037 -11.117 277 HA ASN 33 HA ASN 33 8.175 0.809 -11.995 278 HB2 ASN 33 2HB ASN 33 6.361 -1.299 -13.169 279 HB3 ASN 33 1HB ASN 33 6.116 0.417 -13.475 280 HD21 ASN 33 1HD2 ASN 33 6.469 0.128 -15.659 281 HD22 ASN 33 2HD2 ASN 33 8.055 -0.112 -16.307 282 H LEU 34 H LEU 34 7.645 0.254 -9.365 283 HA LEU 34 HA LEU 34 4.885 1.241 -9.041 284 HB2 LEU 34 2HB LEU 34 6.331 -0.757 -7.291 285 HB3 LEU 34 1HB LEU 34 4.766 -0.052 -6.927 286 HG LEU 34 HG LEU 34 5.353 -1.832 -9.302 287 HD11 LEU 34 1HD1 LEU 34 5.497 -3.043 -7.182 288 HD12 LEU 34 2HD1 LEU 34 4.073 -3.521 -8.107 289 HD13 LEU 34 3HD1 LEU 34 3.905 -2.435 -6.728 290 HD21 LEU 34 3HD2 LEU 34 2.761 -0.725 -8.227 291 HD22 LEU 34 1HD2 LEU 34 2.912 -1.895 -9.537 292 HD23 LEU 34 2HD2 LEU 34 3.546 -0.262 -9.736 293 H THR 35 H THR 35 4.609 2.385 -6.896 294 HA THR 35 HA THR 35 7.126 3.715 -6.150 295 HB THR 35 HB THR 35 5.783 5.513 -5.196 296 HG1 THR 35 1HG THR 35 3.528 4.011 -6.126 297 HG21 THR 35 3HG2 THR 35 4.896 4.802 -7.993 298 HG22 THR 35 1HG2 THR 35 6.366 5.675 -7.560 299 HG23 THR 35 2HG2 THR 35 4.787 6.400 -7.256 300 H LEU 36 H LEU 36 7.318 4.289 -3.786 301 HA LEU 36 HA LEU 36 7.089 2.027 -2.166 302 HB2 LEU 36 2HB LEU 36 7.758 3.402 -0.320 303 HB3 LEU 36 1HB LEU 36 8.687 3.843 -1.732 304 HG LEU 36 HG LEU 36 6.348 5.425 -0.644 305 HD11 LEU 36 1HD1 LEU 36 8.241 5.432 0.894 306 HD12 LEU 36 2HD1 LEU 36 8.046 7.007 0.124 307 HD13 LEU 36 3HD1 LEU 36 9.317 5.911 -0.419 308 HD21 LEU 36 3HD2 LEU 36 6.672 5.765 -3.041 309 HD22 LEU 36 1HD2 LEU 36 8.380 6.112 -2.769 310 HD23 LEU 36 2HD2 LEU 36 7.146 7.196 -2.128 311 H SER 37 H SER 37 4.965 4.793 -2.570 312 HA SER 37 HA SER 37 3.090 4.280 -0.586 313 HB2 SER 37 2HB SER 37 2.474 5.281 -3.378 314 HB3 SER 37 1HB SER 37 1.561 5.604 -1.904 315 HG SER 37 HG SER 37 2.811 7.264 -1.643 316 H ASP 38 H ASP 38 3.397 2.933 -3.844 317 HA ASP 38 HA ASP 38 1.004 1.438 -3.844 318 HB2 ASP 38 2HB ASP 38 3.582 1.071 -5.374 319 HB3 ASP 38 1HB ASP 38 2.182 0.031 -5.606 320 H VAL 39 H VAL 39 4.348 0.512 -3.107 321 HA VAL 39 HA VAL 39 3.815 -2.216 -2.725 322 HB VAL 39 HB VAL 39 6.036 -0.590 -1.472 323 HG11 VAL 39 1HG1 VAL 39 5.801 -2.779 -0.437 324 HG12 VAL 39 2HG1 VAL 39 7.264 -2.716 -1.419 325 HG13 VAL 39 3HG1 VAL 39 5.834 -3.551 -2.022 326 HG21 VAL 39 3HG2 VAL 39 5.933 -2.033 -4.118 327 HG22 VAL 39 1HG2 VAL 39 7.372 -1.299 -3.413 328 HG23 VAL 39 2HG2 VAL 39 6.004 -0.287 -3.876 329 H CYS 40 H CYS 40 3.621 0.510 -0.530 330 HA CYS 40 HA CYS 40 3.459 -1.028 1.856 331 HB2 CYS 40 2HB CYS 40 4.001 1.513 1.470 332 HB3 CYS 40 1HB CYS 40 2.261 1.729 1.593 333 HG CYS 40 HG CYS 40 2.235 1.867 4.132 334 H ARG 41 H ARG 41 0.829 0.780 0.166 335 HA ARG 41 HA ARG 41 -1.227 -0.560 1.500 336 HB2 ARG 41 2HB ARG 41 -2.713 0.210 -0.324 337 HB3 ARG 41 1HB ARG 41 -1.707 1.478 0.349 338 HG2 ARG 41 2HG ARG 41 -1.598 1.916 -1.899 339 HG3 ARG 41 1HG ARG 41 -0.142 0.955 -1.648 340 HD2 ARG 41 2HD ARG 41 -1.281 -1.030 -2.466 341 HD3 ARG 41 1HD ARG 41 -2.779 -0.109 -2.647 342 HE ARG 41 HE ARG 41 -0.515 0.938 -4.107 343 HH11 ARG 41 1HH1 ARG 41 -3.307 -1.195 -4.256 344 HH12 ARG 41 2HH1 ARG 41 -3.432 -1.091 -5.987 345 HH21 ARG 41 1HH2 ARG 41 -0.657 1.031 -6.369 346 HH22 ARG 41 2HH2 ARG 41 -1.901 0.122 -7.183 347 H LEU 42 H LEU 42 0.641 -1.615 -1.293 348 HA LEU 42 HA LEU 42 -1.059 -3.838 -1.882 349 HB2 LEU 42 2HB LEU 42 1.832 -3.276 -2.516 350 HB3 LEU 42 1HB LEU 42 1.034 -4.761 -3.000 351 HG LEU 42 HG LEU 42 0.215 -1.980 -3.851 352 HD11 LEU 42 1HD1 LEU 42 2.332 -2.678 -4.848 353 HD12 LEU 42 2HD1 LEU 42 1.043 -2.645 -6.051 354 HD13 LEU 42 3HD1 LEU 42 1.590 -4.184 -5.387 355 HD21 LEU 42 3HD2 LEU 42 -0.815 -4.688 -4.702 356 HD22 LEU 42 1HD2 LEU 42 -1.299 -3.134 -5.383 357 HD23 LEU 42 2HD2 LEU 42 -1.678 -3.518 -3.704 358 H ALA 43 H ALA 43 1.344 -3.150 0.460 359 HA ALA 43 HA ALA 43 1.954 -5.797 1.208 360 HB1 ALA 43 1HB ALA 43 2.895 -4.831 3.224 361 HB2 ALA 43 2HB ALA 43 2.129 -3.287 2.851 362 HB3 ALA 43 3HB ALA 43 3.390 -3.922 1.796 363 H ILE 44 H ILE 44 -0.438 -3.416 2.332 364 HA ILE 44 HA ILE 44 -1.454 -5.102 4.392 365 HB ILE 44 HB ILE 44 -3.288 -3.573 4.650 366 HG12 ILE 44 2HG1 ILE 44 -2.351 -2.219 2.108 367 HG13 ILE 44 1HG1 ILE 44 -3.799 -3.213 2.259 368 HG21 ILE 44 1HG2 ILE 44 -0.706 -2.137 4.080 369 HG22 ILE 44 2HG2 ILE 44 -1.200 -2.872 5.606 370 HG23 ILE 44 3HG2 ILE 44 -2.058 -1.461 4.987 371 HD11 ILE 44 3HD1 ILE 44 -3.280 -0.602 3.669 372 HD12 ILE 44 1HD1 ILE 44 -4.714 -1.608 3.874 373 HD13 ILE 44 2HD1 ILE 44 -4.376 -0.868 2.311 374 H LYS 45 H LYS 45 -2.070 -4.750 0.988 375 HA LYS 45 HA LYS 45 -4.466 -6.169 0.790 376 HB2 LYS 45 2HB LYS 45 -3.257 -5.014 -1.101 377 HB3 LYS 45 1HB LYS 45 -2.147 -6.378 -1.137 378 HG2 LYS 45 2HG LYS 45 -4.483 -7.690 -1.315 379 HG3 LYS 45 1HG LYS 45 -4.928 -6.167 -2.087 380 HD2 LYS 45 2HD LYS 45 -4.163 -7.564 -3.826 381 HD3 LYS 45 1HD LYS 45 -2.835 -6.445 -3.501 382 HE2 LYS 45 2HE LYS 45 -1.757 -8.154 -2.107 383 HE3 LYS 45 1HE LYS 45 -3.073 -9.269 -2.468 384 HZ1 LYS 45 3HZ LYS 45 -1.265 -9.779 -3.895 385 HZ2 LYS 45 1HZ LYS 45 -1.088 -8.163 -4.376 386 HZ3 LYS 45 2HZ LYS 45 -2.455 -9.043 -4.852 387 H GLU 46 H GLU 46 -1.111 -7.290 0.867 388 HA GLU 46 HA GLU 46 -1.725 -10.074 0.721 389 HB2 GLU 46 2HB GLU 46 0.480 -8.938 0.132 390 HB3 GLU 46 1HB GLU 46 0.770 -8.793 1.859 391 HG2 GLU 46 2HG GLU 46 1.959 -10.684 1.116 392 HG3 GLU 46 1HG GLU 46 0.557 -11.285 2.000 393 H TYR 47 H TYR 47 -1.308 -7.694 3.217 394 HA TYR 47 HA TYR 47 -1.130 -9.355 5.463 395 HB2 TYR 47 2HB TYR 47 -0.616 -6.944 5.462 396 HB3 TYR 47 1HB TYR 47 -2.320 -6.587 5.225 397 HD1 TYR 47 1HD TYR 47 0.178 -7.877 7.608 398 HD2 TYR 47 2HD TYR 47 -3.845 -6.599 7.063 399 HE1 TYR 47 1HE TYR 47 -0.110 -7.770 10.046 400 HE2 TYR 47 2HE TYR 47 -4.149 -6.494 9.501 401 HH TYR 47 HH TYR 47 -1.503 -6.733 11.700 402 H LEU 48 H LEU 48 -3.897 -7.944 3.783 403 HA LEU 48 HA LEU 48 -5.891 -8.882 5.541 404 HB2 LEU 48 2HB LEU 48 -6.094 -8.234 2.600 405 HB3 LEU 48 1HB LEU 48 -7.455 -8.454 3.681 406 HG LEU 48 HG LEU 48 -5.400 -6.249 3.843 407 HD11 LEU 48 1HD1 LEU 48 -8.305 -6.231 3.055 408 HD12 LEU 48 2HD1 LEU 48 -6.923 -5.949 1.995 409 HD13 LEU 48 3HD1 LEU 48 -7.298 -4.800 3.280 410 HD21 LEU 48 3HD2 LEU 48 -6.154 -6.889 6.064 411 HD22 LEU 48 1HD2 LEU 48 -7.834 -6.773 5.545 412 HD23 LEU 48 2HD2 LEU 48 -6.830 -5.325 5.605 413 H ASP 49 H ASP 49 -4.556 -10.171 2.556 414 HA ASP 49 HA ASP 49 -6.311 -12.307 2.202 415 HB2 ASP 49 2HB ASP 49 -4.736 -11.431 0.503 416 HB3 ASP 49 1HB ASP 49 -3.405 -12.160 1.395 417 H ASN 50 H ASN 50 -3.184 -12.205 3.878 418 HA ASN 50 HA ASN 50 -3.269 -15.024 4.416 419 HB2 ASN 50 2HB ASN 50 -1.345 -12.854 5.228 420 HB3 ASN 50 1HB ASN 50 -1.171 -14.524 5.755 421 HD21 ASN 50 1HD2 ASN 50 -1.054 -12.339 3.063 422 HD22 ASN 50 2HD2 ASN 50 -0.267 -13.416 1.964 423 H HIS 51 H HIS 51 -4.225 -12.166 6.199 424 HA HIS 51 HA HIS 51 -4.134 -13.653 8.700 425 HB2 HIS 51 2HB HIS 51 -4.231 -11.665 9.823 426 HB3 HIS 51 1HB HIS 51 -3.566 -11.095 8.302 427 HD1 HIS 51 1HD HIS 51 -5.663 -9.834 10.646 428 HD2 HIS 51 2HD HIS 51 -6.230 -10.547 6.593 429 HE1 HIS 51 1HE HIS 51 -7.536 -8.300 9.943 430 HE2 HIS 51 2HE HIS 51 -8.013 -8.929 7.540 431 H ASP 52 H ASP 52 -6.366 -12.992 6.234 432 HA ASP 52 HA ASP 52 -8.526 -14.019 7.950 433 HB2 ASP 52 2HB ASP 52 -8.850 -11.627 7.256 434 HB3 ASP 52 1HB ASP 52 -8.889 -12.171 5.582 435 H LYS 53 H LYS 53 -8.226 -16.125 7.415 436 HA LYS 53 HA LYS 53 -7.717 -16.890 4.672 437 HB2 LYS 53 2HB LYS 53 -7.935 -18.541 7.199 438 HB3 LYS 53 1HB LYS 53 -7.450 -19.164 5.624 439 HG2 LYS 53 2HG LYS 53 -5.501 -17.710 5.622 440 HG3 LYS 53 1HG LYS 53 -5.994 -17.024 7.173 441 HD2 LYS 53 2HD LYS 53 -5.737 -19.199 8.231 442 HD3 LYS 53 1HD LYS 53 -5.308 -19.922 6.680 443 HE2 LYS 53 2HE LYS 53 -3.312 -19.499 7.997 444 HE3 LYS 53 1HE LYS 53 -3.329 -18.482 6.560 445 HZ1 LYS 53 3HZ LYS 53 -4.190 -17.570 9.254 446 HZ2 LYS 53 1HZ LYS 53 -3.990 -16.613 7.867 447 HZ3 LYS 53 2HZ LYS 53 -2.640 -17.309 8.615 448 H GLN 54 H GLN 54 -10.026 -18.086 7.109 449 HA GLN 54 HA GLN 54 -12.208 -18.666 7.021 450 HB2 GLN 54 2HB GLN 54 -12.220 -16.988 4.515 451 HB3 GLN 54 1HB GLN 54 -13.654 -17.615 5.313 452 HG2 GLN 54 2HG GLN 54 -11.677 -15.673 6.486 453 HG3 GLN 54 1HG GLN 54 -13.284 -15.286 5.873 454 HE21 GLN 54 1HE2 GLN 54 -15.108 -16.000 7.036 455 HE22 GLN 54 2HE2 GLN 54 -14.991 -16.391 8.721 456 H LYS 55 H LYS 55 -12.340 -20.812 6.757 457 HA LYS 55 HA LYS 55 -12.319 -21.897 4.028 458 HB2 LYS 55 2HB LYS 55 -12.574 -23.304 6.697 459 HB3 LYS 55 1HB LYS 55 -12.528 -24.108 5.134 460 HG2 LYS 55 2HG LYS 55 -10.266 -23.161 4.774 461 HG3 LYS 55 1HG LYS 55 -10.321 -22.516 6.418 462 HD2 LYS 55 2HD LYS 55 -10.601 -24.776 7.302 463 HD3 LYS 55 1HD LYS 55 -10.580 -25.425 5.662 464 HE2 LYS 55 2HE LYS 55 -8.419 -25.728 6.698 465 HE3 LYS 55 1HE LYS 55 -8.292 -24.571 5.375 466 HZ1 LYS 55 3HZ LYS 55 -7.115 -24.016 7.529 467 HZ2 LYS 55 1HZ LYS 55 -8.645 -23.702 8.184 468 HZ3 LYS 55 2HZ LYS 55 -8.081 -22.796 6.863 469 H LYS 56 H LYS 56 -14.421 -20.436 6.053 470 HA LYS 56 HA LYS 56 -16.740 -21.690 4.789 471 HB2 LYS 56 2HB LYS 56 -16.471 -22.723 7.027 472 HB3 LYS 56 1HB LYS 56 -16.517 -21.126 7.757 473 HG2 LYS 56 2HG LYS 56 -18.806 -20.827 6.901 474 HG3 LYS 56 1HG LYS 56 -18.747 -22.464 6.243 475 HD2 LYS 56 2HD LYS 56 -18.380 -23.343 8.507 476 HD3 LYS 56 1HD LYS 56 -18.483 -21.705 9.151 477 HE2 LYS 56 2HE LYS 56 -20.599 -22.823 9.451 478 HE3 LYS 56 1HE LYS 56 -20.778 -21.533 8.260 479 HZ1 LYS 56 3HZ LYS 56 -20.613 -23.193 6.506 480 HZ2 LYS 56 1HZ LYS 56 -21.901 -23.549 7.549 481 HZ3 LYS 56 2HZ LYS 56 -20.453 -24.424 7.659 482 H1 GLY 2 1HT GLY 2 18.850 13.157 17.091 483 H2 GLY 2 2HT GLY 2 18.604 14.772 16.636 484 H3 GLY 2 3HT GLY 2 19.661 14.401 17.907 485 HA2 GLY 2 1HA GLY 2 20.880 14.957 15.893 486 HA3 GLY 2 2HA GLY 2 21.168 13.299 16.406 487 H ARG 3 H ARG 3 21.839 13.520 13.970 488 HA ARG 3 HA ARG 3 19.508 12.691 12.358 489 HB2 ARG 3 2HB ARG 3 22.078 14.008 11.443 490 HB3 ARG 3 1HB ARG 3 20.787 13.461 10.378 491 HG2 ARG 3 2HG ARG 3 19.262 15.063 11.303 492 HG3 ARG 3 1HG ARG 3 20.431 15.530 12.537 493 HD2 ARG 3 2HD ARG 3 21.938 16.328 10.746 494 HD3 ARG 3 1HD ARG 3 20.684 15.955 9.560 495 HE ARG 3 HE ARG 3 19.325 17.549 11.176 496 HH11 ARG 3 1HH1 ARG 3 22.532 17.976 9.788 497 HH12 ARG 3 2HH1 ARG 3 22.520 19.696 9.994 498 HH21 ARG 3 1HH2 ARG 3 19.316 19.810 11.421 499 HH22 ARG 3 2HH2 ARG 3 20.692 20.740 10.903 500 HA PRO 4 HA PRO 4 21.898 8.866 12.769 501 HB2 PRO 4 2HB PRO 4 19.455 7.582 11.815 502 HB3 PRO 4 1HB PRO 4 20.262 7.417 13.376 503 HG2 PRO 4 2HG PRO 4 17.878 8.669 13.089 504 HG3 PRO 4 1HG PRO 4 19.061 9.129 14.326 505 HD2 PRO 4 2HD PRO 4 18.476 10.426 11.687 506 HD3 PRO 4 1HD PRO 4 18.799 11.174 13.268 507 H TYR 5 H TYR 5 19.484 9.096 10.168 508 HA TYR 5 HA TYR 5 21.593 8.642 8.197 509 HB2 TYR 5 2HB TYR 5 19.032 7.047 8.417 510 HB3 TYR 5 1HB TYR 5 20.019 7.088 6.961 511 HD1 TYR 5 1HD TYR 5 22.350 6.192 7.044 512 HD2 TYR 5 2HD TYR 5 19.607 5.650 10.247 513 HE1 TYR 5 1HE TYR 5 23.747 4.371 7.920 514 HE2 TYR 5 2HE TYR 5 20.997 3.824 11.136 515 HH TYR 5 HH TYR 5 24.172 3.230 10.031 516 H LYS 6 H LYS 6 21.331 10.880 7.888 517 HA LYS 6 HA LYS 6 20.616 12.732 6.824 518 HB2 LYS 6 2HB LYS 6 19.018 10.749 5.196 519 HB3 LYS 6 1HB LYS 6 19.231 12.444 4.780 520 HG2 LYS 6 2HG LYS 6 21.469 10.446 5.060 521 HG3 LYS 6 1HG LYS 6 20.718 10.927 3.538 522 HD2 LYS 6 2HD LYS 6 21.975 12.904 5.424 523 HD3 LYS 6 1HD LYS 6 22.890 12.092 4.154 524 HE2 LYS 6 2HE LYS 6 20.383 13.676 3.628 525 HE3 LYS 6 1HE LYS 6 21.999 14.384 3.581 526 HZ1 LYS 6 3HZ LYS 6 21.239 13.719 1.377 527 HZ2 LYS 6 1HZ LYS 6 21.063 12.115 1.897 528 HZ3 LYS 6 2HZ LYS 6 22.602 12.825 1.842 529 H LEU 7 H LEU 7 17.527 11.164 6.251 530 HA LEU 7 HA LEU 7 16.258 13.388 7.649 531 HB2 LEU 7 2HB LEU 7 15.608 12.773 5.312 532 HB3 LEU 7 1HB LEU 7 14.988 11.254 5.929 533 HG LEU 7 HG LEU 7 13.331 12.485 7.281 534 HD11 LEU 7 1HD1 LEU 7 14.410 14.931 5.884 535 HD12 LEU 7 2HD1 LEU 7 14.606 14.552 7.595 536 HD13 LEU 7 3HD1 LEU 7 12.999 14.872 6.940 537 HD21 LEU 7 3HD2 LEU 7 13.337 13.202 4.349 538 HD22 LEU 7 1HD2 LEU 7 11.932 13.236 5.415 539 HD23 LEU 7 2HD2 LEU 7 12.727 11.705 5.055 540 H LEU 8 H LEU 8 17.277 12.043 9.569 541 HA LEU 8 HA LEU 8 16.848 11.057 11.573 542 HB2 LEU 8 2HB LEU 8 13.969 11.427 10.746 543 HB3 LEU 8 1HB LEU 8 14.527 11.085 12.373 544 HG LEU 8 HG LEU 8 15.189 13.587 10.814 545 HD11 LEU 8 1HD1 LEU 8 12.834 13.517 11.382 546 HD12 LEU 8 2HD1 LEU 8 13.671 14.697 12.391 547 HD13 LEU 8 3HD1 LEU 8 13.227 13.124 13.057 548 HD21 LEU 8 3HD2 LEU 8 15.697 12.851 13.694 549 HD22 LEU 8 1HD2 LEU 8 16.044 14.409 12.945 550 HD23 LEU 8 2HD2 LEU 8 16.916 12.966 12.424 551 H ASN 9 H ASN 9 16.755 9.396 8.967 552 HA ASN 9 HA ASN 9 16.436 7.248 8.305 553 HB2 ASN 9 2HB ASN 9 17.699 6.780 10.427 554 HB3 ASN 9 1HB ASN 9 16.157 6.608 11.255 555 HD21 ASN 9 1HD2 ASN 9 16.566 4.468 11.804 556 HD22 ASN 9 2HD2 ASN 9 16.528 3.189 10.638 557 H GLY 10 H GLY 10 14.268 8.861 8.126 558 HA2 GLY 10 2HA GLY 10 12.118 6.933 8.179 559 HA3 GLY 10 1HA GLY 10 11.883 8.307 9.254 560 H ILE 11 H ILE 11 11.123 7.173 6.317 561 HA ILE 11 HA ILE 11 11.333 9.771 4.936 562 HB ILE 11 HB ILE 11 10.840 7.058 3.690 563 HG12 ILE 11 2HG1 ILE 11 13.062 7.101 4.727 564 HG13 ILE 11 1HG1 ILE 11 13.186 7.098 2.971 565 HG21 ILE 11 1HG2 ILE 11 10.021 8.897 2.350 566 HG22 ILE 11 2HG2 ILE 11 11.452 8.192 1.595 567 HG23 ILE 11 3HG2 ILE 11 11.578 9.715 2.476 568 HD11 ILE 11 3HD1 ILE 11 13.540 9.462 4.800 569 HD12 ILE 11 1HD1 ILE 11 13.570 9.539 3.039 570 HD13 ILE 11 2HD1 ILE 11 14.801 8.619 3.906 571 H LYS 12 H LYS 12 9.502 10.678 4.006 572 HA LYS 12 HA LYS 12 6.981 9.631 5.074 573 HB2 LYS 12 2HB LYS 12 7.631 11.937 5.698 574 HB3 LYS 12 1HB LYS 12 7.624 12.385 3.997 575 HG2 LYS 12 2HG LYS 12 5.589 13.123 5.072 576 HG3 LYS 12 1HG LYS 12 5.231 11.869 3.882 577 HD2 LYS 12 2HD LYS 12 5.102 10.204 5.659 578 HD3 LYS 12 1HD LYS 12 5.493 11.437 6.860 579 HE2 LYS 12 2HE LYS 12 3.065 11.428 5.072 580 HE3 LYS 12 1HE LYS 12 3.086 10.950 6.768 581 HZ1 LYS 12 3HZ LYS 12 2.300 13.186 6.597 582 HZ2 LYS 12 1HZ LYS 12 3.641 13.659 5.673 583 HZ3 LYS 12 2HZ LYS 12 3.843 13.236 7.300 584 H LEU 13 H LEU 13 5.726 8.579 3.745 585 HA LEU 13 HA LEU 13 5.827 9.235 0.881 586 HB2 LEU 13 2HB LEU 13 5.069 6.790 0.607 587 HB3 LEU 13 1HB LEU 13 6.756 7.115 0.945 588 HG LEU 13 HG LEU 13 4.912 6.480 3.219 589 HD11 LEU 13 1HD1 LEU 13 6.187 4.457 1.379 590 HD12 LEU 13 2HD1 LEU 13 4.458 4.735 1.589 591 HD13 LEU 13 3HD1 LEU 13 5.418 4.095 2.923 592 HD21 LEU 13 3HD2 LEU 13 6.986 5.495 4.130 593 HD22 LEU 13 1HD2 LEU 13 7.176 7.208 3.740 594 HD23 LEU 13 2HD2 LEU 13 7.839 5.975 2.663 595 H GLY 14 H GLY 14 3.956 9.429 -0.218 596 HA2 GLY 14 2HA GLY 14 1.531 9.515 1.441 597 HA3 GLY 14 1HA GLY 14 1.789 10.412 -0.048 598 H VAL 15 H VAL 15 0.245 7.825 1.290 599 HA VAL 15 HA VAL 15 0.145 6.347 -1.254 600 HB VAL 15 HB VAL 15 -0.891 5.418 1.437 601 HG11 VAL 15 1HG1 VAL 15 -1.881 4.289 -0.493 602 HG12 VAL 15 2HG1 VAL 15 -0.861 3.199 0.445 603 HG13 VAL 15 3HG1 VAL 15 -0.267 3.872 -1.074 604 HG21 VAL 15 3HG2 VAL 15 1.145 4.056 1.601 605 HG22 VAL 15 1HG2 VAL 15 1.501 5.783 1.612 606 HG23 VAL 15 2HG2 VAL 15 1.772 4.837 0.149 607 H TYR 16 H TYR 16 -1.964 5.673 -2.043 608 HA TYR 16 HA TYR 16 -4.245 7.166 -0.970 609 HB2 TYR 16 2HB TYR 16 -3.127 7.329 -3.722 610 HB3 TYR 16 1HB TYR 16 -4.879 7.342 -3.544 611 HD1 TYR 16 1HD TYR 16 -1.769 9.160 -2.802 612 HD2 TYR 16 2HD TYR 16 -6.015 9.212 -2.561 613 HE1 TYR 16 1HE TYR 16 -1.706 11.552 -2.253 614 HE2 TYR 16 2HE TYR 16 -5.960 11.600 -2.015 615 HH TYR 16 HH TYR 16 -4.520 13.293 -1.205 616 H ILE 17 H ILE 17 -5.899 5.899 -0.620 617 HA ILE 17 HA ILE 17 -6.513 3.717 -2.436 618 HB ILE 17 HB ILE 17 -6.901 2.144 -0.510 619 HG12 ILE 17 2HG1 ILE 17 -5.099 4.089 0.947 620 HG13 ILE 17 1HG1 ILE 17 -6.797 3.789 1.305 621 HG21 ILE 17 1HG2 ILE 17 -5.064 1.801 -2.039 622 HG22 ILE 17 2HG2 ILE 17 -4.560 1.392 -0.400 623 HG23 ILE 17 3HG2 ILE 17 -4.055 2.920 -1.121 624 HD11 ILE 17 3HD1 ILE 17 -6.290 1.513 1.949 625 HD12 ILE 17 1HD1 ILE 17 -5.297 2.647 2.865 626 HD13 ILE 17 2HD1 ILE 17 -4.596 1.747 1.518 627 HA PRO 18 HA PRO 18 -10.772 4.645 -1.849 628 HB2 PRO 18 2HB PRO 18 -11.735 2.169 -0.938 629 HB3 PRO 18 1HB PRO 18 -11.615 2.693 -2.621 630 HG2 PRO 18 2HG PRO 18 -9.753 0.997 -1.022 631 HG3 PRO 18 1HG PRO 18 -10.199 0.874 -2.734 632 HD2 PRO 18 2HD PRO 18 -7.841 1.876 -2.006 633 HD3 PRO 18 1HD PRO 18 -8.753 2.593 -3.354 634 H GLN 19 H GLN 19 -12.211 5.288 -0.313 635 HA GLN 19 HA GLN 19 -11.226 5.599 2.342 636 HB2 GLN 19 2HB GLN 19 -13.303 6.753 2.780 637 HB3 GLN 19 1HB GLN 19 -12.682 7.251 1.210 638 HG2 GLN 19 2HG GLN 19 -14.225 5.405 0.276 639 HG3 GLN 19 1HG GLN 19 -15.018 5.506 1.848 640 HE21 GLN 19 1HE2 GLN 19 -16.147 7.346 2.411 641 HE22 GLN 19 2HE2 GLN 19 -16.583 8.550 1.249 642 H GLU 20 H GLU 20 -13.507 3.460 0.789 643 HA GLU 20 HA GLU 20 -14.638 2.167 2.958 644 HB2 GLU 20 2HB GLU 20 -13.653 0.895 0.397 645 HB3 GLU 20 1HB GLU 20 -14.827 0.199 1.505 646 HG2 GLU 20 2HG GLU 20 -16.328 2.112 1.047 647 HG3 GLU 20 1HG GLU 20 -15.163 2.694 -0.144 648 H TRP 21 H TRP 21 -11.416 1.871 1.618 649 HA TRP 21 HA TRP 21 -10.731 -0.421 3.221 650 HB2 TRP 21 2HB TRP 21 -9.678 0.858 0.932 651 HB3 TRP 21 1HB TRP 21 -8.444 0.997 2.181 652 HD1 TRP 21 HD TRP 21 -10.547 -2.144 2.322 653 HE1 TRP 21 1HE TRP 21 -9.135 -4.148 1.531 654 HE3 TRP 21 3HE TRP 21 -6.506 0.381 0.495 655 HZ2 TRP 21 2HZ TRP 21 -6.635 -4.590 0.285 656 HZ3 TRP 21 3HZ TRP 21 -4.652 -0.898 -0.483 657 HH2 TRP 21 HH TRP 21 -4.711 -3.325 -0.585 658 H HIS 22 H HIS 22 -10.341 3.063 3.321 659 HA HIS 22 HA HIS 22 -8.607 3.204 5.545 660 HB2 HIS 22 2HB HIS 22 -10.650 5.109 4.414 661 HB3 HIS 22 1HB HIS 22 -9.810 5.475 5.917 662 HD1 HIS 22 1HD HIS 22 -7.762 6.826 5.631 663 HD2 HIS 22 2HD HIS 22 -8.636 4.590 2.226 664 HE1 HIS 22 1HE HIS 22 -6.049 7.494 3.919 665 HE2 HIS 22 2HE HIS 22 -6.669 6.225 1.833 666 H ASP 23 H ASP 23 -12.128 3.143 5.268 667 HA ASP 23 HA ASP 23 -12.771 3.611 7.936 668 HB2 ASP 23 2HB ASP 23 -14.447 3.756 6.202 669 HB3 ASP 23 1HB ASP 23 -14.269 2.043 5.834 670 H ARG 24 H ARG 24 -12.527 0.442 6.269 671 HA ARG 24 HA ARG 24 -13.057 -0.920 8.733 672 HB2 ARG 24 2HB ARG 24 -12.464 -1.792 5.951 673 HB3 ARG 24 1HB ARG 24 -12.210 -2.949 7.251 674 HG2 ARG 24 2HG ARG 24 -14.377 -3.389 6.601 675 HG3 ARG 24 1HG ARG 24 -14.606 -2.310 7.976 676 HD2 ARG 24 2HD ARG 24 -16.083 -1.527 6.334 677 HD3 ARG 24 1HD ARG 24 -14.707 -0.423 6.271 678 HE ARG 24 HE ARG 24 -14.119 -2.347 4.424 679 HH11 ARG 24 1HH1 ARG 24 -16.789 -0.128 4.891 680 HH12 ARG 24 2HH1 ARG 24 -17.220 -0.089 3.209 681 HH21 ARG 24 1HH2 ARG 24 -14.652 -2.288 2.215 682 HH22 ARG 24 2HH2 ARG 24 -16.006 -1.335 1.682 683 H LEU 25 H LEU 25 -10.129 -0.166 6.909 684 HA LEU 25 HA LEU 25 -8.413 -1.833 8.425 685 HB2 LEU 25 2HB LEU 25 -8.078 0.350 6.482 686 HB3 LEU 25 1HB LEU 25 -6.761 0.172 7.625 687 HG LEU 25 HG LEU 25 -6.308 -1.049 5.557 688 HD11 LEU 25 1HD1 LEU 25 -5.774 -3.221 6.519 689 HD12 LEU 25 2HD1 LEU 25 -6.855 -2.897 7.874 690 HD13 LEU 25 3HD1 LEU 25 -5.404 -1.919 7.649 691 HD21 LEU 25 3HD2 LEU 25 -7.642 -3.003 4.934 692 HD22 LEU 25 1HD2 LEU 25 -8.595 -1.522 4.871 693 HD23 LEU 25 2HD2 LEU 25 -8.785 -2.634 6.225 694 H MET 26 H MET 26 -9.241 1.614 8.714 695 HA MET 26 HA MET 26 -7.518 2.137 10.871 696 HB2 MET 26 2HB MET 26 -9.955 3.512 9.809 697 HB3 MET 26 1HB MET 26 -9.191 4.066 11.293 698 HG2 MET 26 2HG MET 26 -7.722 3.735 8.696 699 HG3 MET 26 1HG MET 26 -8.482 5.246 9.206 700 HE1 MET 26 3HE MET 26 -6.437 6.125 12.443 701 HE2 MET 26 1HE MET 26 -7.955 5.229 12.360 702 HE3 MET 26 2HE MET 26 -7.710 6.647 11.339 703 H GLU 27 H GLU 27 -10.817 0.897 10.806 704 HA GLU 27 HA GLU 27 -11.226 1.171 13.602 705 HB2 GLU 27 2HB GLU 27 -12.568 -0.513 11.505 706 HB3 GLU 27 1HB GLU 27 -13.040 -0.582 13.201 707 HG2 GLU 27 2HG GLU 27 -13.117 1.820 11.390 708 HG3 GLU 27 1HG GLU 27 -14.494 0.937 12.053 709 H ILE 28 H ILE 28 -10.049 -1.522 11.611 710 HA ILE 28 HA ILE 28 -9.584 -3.303 13.759 711 HB ILE 28 HB ILE 28 -8.062 -3.054 11.151 712 HG12 ILE 28 2HG1 ILE 28 -10.358 -4.874 11.913 713 HG13 ILE 28 1HG1 ILE 28 -10.482 -3.469 10.862 714 HG21 ILE 28 1HG2 ILE 28 -6.787 -4.294 12.809 715 HG22 ILE 28 2HG2 ILE 28 -7.384 -5.379 11.552 716 HG23 ILE 28 3HG2 ILE 28 -8.179 -5.329 13.125 717 HD11 ILE 28 3HD1 ILE 28 -10.414 -5.530 9.580 718 HD12 ILE 28 1HD1 ILE 28 -8.864 -5.946 10.312 719 HD13 ILE 28 2HD1 ILE 28 -8.990 -4.541 9.254 720 H ALA 29 H ALA 29 -7.762 -0.700 12.311 721 HA ALA 29 HA ALA 29 -5.389 -0.961 13.794 722 HB1 ALA 29 1HB ALA 29 -5.555 0.372 11.752 723 HB2 ALA 29 2HB ALA 29 -4.922 1.324 13.096 724 HB3 ALA 29 3HB ALA 29 -6.600 1.521 12.589 725 H LYS 30 H LYS 30 -8.524 0.219 14.686 726 HA LYS 30 HA LYS 30 -7.631 1.835 16.884 727 HB2 LYS 30 2HB LYS 30 -10.347 0.556 16.477 728 HB3 LYS 30 1HB LYS 30 -9.970 1.852 17.603 729 HG2 LYS 30 2HG LYS 30 -9.807 2.067 14.606 730 HG3 LYS 30 1HG LYS 30 -11.150 2.632 15.600 731 HD2 LYS 30 2HD LYS 30 -9.613 4.153 16.771 732 HD3 LYS 30 1HD LYS 30 -8.299 3.607 15.727 733 HE2 LYS 30 2HE LYS 30 -9.233 5.717 14.938 734 HE3 LYS 30 1HE LYS 30 -9.504 4.425 13.769 735 HZ1 LYS 30 3HZ LYS 30 -11.458 5.868 14.140 736 HZ2 LYS 30 1HZ LYS 30 -11.520 5.337 15.751 737 HZ3 LYS 30 2HZ LYS 30 -11.769 4.235 14.481 738 H GLU 31 H GLU 31 -8.749 -1.437 16.392 739 HA GLU 31 HA GLU 31 -8.747 -2.327 19.050 740 HB2 GLU 31 2HB GLU 31 -7.899 -3.995 16.692 741 HB3 GLU 31 1HB GLU 31 -8.679 -4.532 18.171 742 HG2 GLU 31 2HG GLU 31 -10.724 -3.401 17.531 743 HG3 GLU 31 1HG GLU 31 -9.948 -2.801 16.065 744 H LYS 32 H LYS 32 -6.184 -1.949 16.694 745 HA LYS 32 HA LYS 32 -4.252 -3.303 18.403 746 HB2 LYS 32 2HB LYS 32 -4.211 -2.318 15.569 747 HB3 LYS 32 1HB LYS 32 -2.713 -2.718 16.391 748 HG2 LYS 32 2HG LYS 32 -3.495 -4.572 15.029 749 HG3 LYS 32 1HG LYS 32 -3.496 -5.003 16.737 750 HD2 LYS 32 2HD LYS 32 -5.885 -4.702 16.858 751 HD3 LYS 32 1HD LYS 32 -5.931 -4.096 15.202 752 HE2 LYS 32 2HE LYS 32 -5.313 -6.235 14.332 753 HE3 LYS 32 1HE LYS 32 -4.984 -6.857 15.948 754 HZ1 LYS 32 3HZ LYS 32 -7.669 -5.981 15.013 755 HZ2 LYS 32 1HZ LYS 32 -7.293 -6.744 16.481 756 HZ3 LYS 32 2HZ LYS 32 -7.133 -7.595 15.022 757 H ASN 33 H ASN 33 -5.423 -0.233 18.151 758 HA ASN 33 HA ASN 33 -4.789 1.802 18.947 759 HB2 ASN 33 2HB ASN 33 -2.464 0.296 20.180 760 HB3 ASN 33 1HB ASN 33 -2.965 1.931 20.599 761 HD21 ASN 33 1HD2 ASN 33 -5.805 1.314 20.459 762 HD22 ASN 33 2HD2 ASN 33 -6.160 0.375 21.864 763 H LEU 34 H LEU 34 -4.122 1.175 16.373 764 HA LEU 34 HA LEU 34 -1.597 2.607 15.937 765 HB2 LEU 34 2HB LEU 34 -2.523 0.109 14.509 766 HB3 LEU 34 1HB LEU 34 -1.132 1.070 14.041 767 HG LEU 34 HG LEU 34 -1.403 -0.385 16.675 768 HD11 LEU 34 1HD1 LEU 34 -1.262 -1.967 14.849 769 HD12 LEU 34 2HD1 LEU 34 0.257 -1.932 15.744 770 HD13 LEU 34 3HD1 LEU 34 0.133 -1.112 14.187 771 HD21 LEU 34 3HD2 LEU 34 0.951 0.994 15.392 772 HD22 LEU 34 1HD2 LEU 34 0.978 0.098 16.910 773 HD23 LEU 34 2HD2 LEU 34 0.036 1.584 16.779 774 H THR 35 H THR 35 -1.470 3.415 13.631 775 HA THR 35 HA THR 35 -4.152 4.124 12.649 776 HB THR 35 HB THR 35 -2.998 5.835 11.271 777 HG1 THR 35 1HG THR 35 -0.685 4.900 12.681 778 HG21 THR 35 3HG2 THR 35 -2.329 5.991 14.211 779 HG22 THR 35 1HG2 THR 35 -3.872 6.433 13.481 780 HG23 THR 35 2HG2 THR 35 -2.420 7.354 13.096 781 H LEU 36 H LEU 36 -4.372 4.140 10.189 782 HA LEU 36 HA LEU 36 -3.781 1.582 9.210 783 HB2 LEU 36 2HB LEU 36 -4.772 2.196 7.192 784 HB3 LEU 36 1HB LEU 36 -5.600 3.156 8.397 785 HG LEU 36 HG LEU 36 -3.376 4.224 6.655 786 HD11 LEU 36 1HD1 LEU 36 -5.249 3.504 5.276 787 HD12 LEU 36 2HD1 LEU 36 -5.143 5.264 5.328 788 HD13 LEU 36 3HD1 LEU 36 -6.362 4.423 6.289 789 HD21 LEU 36 3HD2 LEU 36 -4.277 6.406 7.310 790 HD22 LEU 36 1HD2 LEU 36 -3.731 5.486 8.713 791 HD23 LEU 36 2HD2 LEU 36 -5.453 5.607 8.354 792 H SER 37 H SER 37 -2.064 4.604 8.935 793 HA SER 37 HA SER 37 -0.127 3.949 7.053 794 HB2 SER 37 2HB SER 37 0.258 5.582 9.574 795 HB3 SER 37 1HB SER 37 1.216 5.683 8.096 796 HG SER 37 HG SER 37 -0.183 7.098 7.464 797 H ASP 38 H ASP 38 -0.204 3.355 10.547 798 HA ASP 38 HA ASP 38 2.344 2.146 10.732 799 HB2 ASP 38 2HB ASP 38 -0.084 1.723 12.488 800 HB3 ASP 38 1HB ASP 38 1.560 1.240 12.886 801 H VAL 39 H VAL 39 -0.911 0.850 10.296 802 HA VAL 39 HA VAL 39 -0.191 -1.874 10.348 803 HB VAL 39 HB VAL 39 -2.519 -0.603 8.890 804 HG11 VAL 39 1HG1 VAL 39 -2.111 -2.894 8.170 805 HG12 VAL 39 2HG1 VAL 39 -3.592 -2.793 9.119 806 HG13 VAL 39 3HG1 VAL 39 -2.121 -3.438 9.848 807 HG21 VAL 39 3HG2 VAL 39 -2.366 -1.681 11.704 808 HG22 VAL 39 1HG2 VAL 39 -3.823 -1.094 10.900 809 HG23 VAL 39 2HG2 VAL 39 -2.499 0.018 11.246 810 H CYS 40 H CYS 40 -0.144 0.542 7.812 811 HA CYS 40 HA CYS 40 0.011 -1.203 5.616 812 HB2 CYS 40 2HB CYS 40 -0.337 1.430 5.791 813 HB3 CYS 40 1HB CYS 40 1.395 1.458 5.470 814 HG CYS 40 HG CYS 40 0.229 -0.565 3.285 815 H ARG 41 H ARG 41 2.721 0.686 7.027 816 HA ARG 41 HA ARG 41 4.727 -0.819 5.849 817 HB2 ARG 41 2HB ARG 41 6.166 0.136 7.738 818 HB3 ARG 41 1HB ARG 41 5.389 1.259 6.637 819 HG2 ARG 41 2HG ARG 41 4.897 2.303 8.563 820 HG3 ARG 41 1HG ARG 41 3.524 1.200 8.534 821 HD2 ARG 41 2HD ARG 41 4.659 -0.319 10.033 822 HD3 ARG 41 1HD ARG 41 6.120 0.677 9.976 823 HE ARG 41 HE ARG 41 3.802 2.122 10.848 824 HH11 ARG 41 1HH1 ARG 41 6.435 0.071 11.922 825 HH12 ARG 41 2HH1 ARG 41 6.344 0.622 13.567 826 HH21 ARG 41 1HH2 ARG 41 3.709 2.872 12.993 827 HH22 ARG 41 2HH2 ARG 41 4.831 2.239 14.170 828 H LEU 42 H LEU 42 3.027 -1.424 8.910 829 HA LEU 42 HA LEU 42 4.839 -3.421 9.800 830 HB2 LEU 42 2HB LEU 42 1.935 -2.942 10.438 831 HB3 LEU 42 1HB LEU 42 2.872 -4.224 11.181 832 HG LEU 42 HG LEU 42 3.453 -1.268 11.398 833 HD11 LEU 42 1HD1 LEU 42 1.479 -1.939 12.658 834 HD12 LEU 42 2HD1 LEU 42 2.816 -1.553 13.740 835 HD13 LEU 42 3HD1 LEU 42 2.395 -3.236 13.423 836 HD21 LEU 42 3HD2 LEU 42 4.809 -3.639 12.680 837 HD22 LEU 42 1HD2 LEU 42 5.140 -1.945 13.042 838 HD23 LEU 42 2HD2 LEU 42 5.497 -2.591 11.439 839 H ALA 43 H ALA 43 2.116 -3.435 7.629 840 HA ALA 43 HA ALA 43 1.970 -6.261 7.328 841 HB1 ALA 43 1HB ALA 43 1.081 -4.089 5.437 842 HB2 ALA 43 2HB ALA 43 0.114 -4.775 6.741 843 HB3 ALA 43 3HB ALA 43 0.600 -5.785 5.378 844 H ILE 44 H ILE 44 3.937 -3.718 5.937 845 HA ILE 44 HA ILE 44 5.002 -5.234 3.784 846 HB ILE 44 HB ILE 44 6.135 -2.846 5.251 847 HG12 ILE 44 2HG1 ILE 44 4.784 -3.208 2.575 848 HG13 ILE 44 1HG1 ILE 44 4.216 -2.262 3.947 849 HG21 ILE 44 1HG2 ILE 44 7.234 -4.213 2.794 850 HG22 ILE 44 2HG2 ILE 44 7.987 -4.167 4.389 851 HG23 ILE 44 3HG2 ILE 44 7.802 -2.681 3.457 852 HD11 ILE 44 3HD1 ILE 44 6.681 -1.637 2.333 853 HD12 ILE 44 1HD1 ILE 44 6.001 -0.670 3.640 854 HD13 ILE 44 2HD1 ILE 44 5.107 -0.865 2.134 855 H LYS 45 H LYS 45 5.974 -4.731 7.150 856 HA LYS 45 HA LYS 45 8.355 -6.190 7.033 857 HB2 LYS 45 2HB LYS 45 7.609 -4.735 8.950 858 HB3 LYS 45 1HB LYS 45 6.524 -6.035 9.429 859 HG2 LYS 45 2HG LYS 45 8.374 -7.520 9.806 860 HG3 LYS 45 1HG LYS 45 9.509 -6.328 9.173 861 HD2 LYS 45 2HD LYS 45 9.619 -6.301 11.574 862 HD3 LYS 45 1HD LYS 45 8.860 -4.806 11.028 863 HE2 LYS 45 2HE LYS 45 6.696 -5.587 11.633 864 HE3 LYS 45 1HE LYS 45 7.296 -7.221 11.913 865 HZ1 LYS 45 3HZ LYS 45 6.941 -6.037 13.989 866 HZ2 LYS 45 1HZ LYS 45 8.026 -4.820 13.509 867 HZ3 LYS 45 2HZ LYS 45 8.586 -6.397 13.777 868 H GLU 46 H GLU 46 5.020 -7.196 7.393 869 HA GLU 46 HA GLU 46 5.575 -9.968 7.832 870 HB2 GLU 46 2HB GLU 46 3.415 -8.862 8.409 871 HB3 GLU 46 1HB GLU 46 3.095 -8.649 6.695 872 HG2 GLU 46 2HG GLU 46 1.845 -10.518 7.456 873 HG3 GLU 46 1HG GLU 46 3.153 -11.118 6.438 874 H TYR 47 H TYR 47 4.948 -7.911 5.077 875 HA TYR 47 HA TYR 47 4.641 -9.847 3.093 876 HB2 TYR 47 2HB TYR 47 4.050 -7.420 2.931 877 HB3 TYR 47 1HB TYR 47 5.764 -7.056 2.786 878 HD1 TYR 47 1HD TYR 47 2.945 -8.810 1.139 879 HD2 TYR 47 2HD TYR 47 6.849 -7.174 0.693 880 HE1 TYR 47 1HE TYR 47 2.772 -9.071 -1.299 881 HE2 TYR 47 2HE TYR 47 6.688 -7.439 -1.747 882 HH TYR 47 HH TYR 47 3.713 -8.234 -3.314 883 H LEU 48 H LEU 48 7.497 -8.065 4.185 884 HA LEU 48 HA LEU 48 9.327 -9.199 2.355 885 HB2 LEU 48 2HB LEU 48 9.841 -8.027 5.087 886 HB3 LEU 48 1HB LEU 48 11.060 -8.332 3.865 887 HG LEU 48 HG LEU 48 8.793 -6.352 3.626 888 HD11 LEU 48 1HD1 LEU 48 10.558 -4.667 3.760 889 HD12 LEU 48 2HD1 LEU 48 11.750 -5.938 4.033 890 HD13 LEU 48 3HD1 LEU 48 10.484 -5.645 5.227 891 HD21 LEU 48 3HD2 LEU 48 9.421 -7.317 1.469 892 HD22 LEU 48 1HD2 LEU 48 11.110 -6.913 1.779 893 HD23 LEU 48 2HD2 LEU 48 9.916 -5.629 1.586 894 H ASP 49 H ASP 49 8.557 -9.942 5.716 895 HA ASP 49 HA ASP 49 10.450 -11.958 6.124 896 HB2 ASP 49 2HB ASP 49 9.111 -10.764 7.869 897 HB3 ASP 49 1HB ASP 49 7.722 -11.738 7.401 898 H ASN 50 H ASN 50 7.315 -12.032 4.621 899 HA ASN 50 HA ASN 50 6.964 -14.866 4.806 900 HB2 ASN 50 2HB ASN 50 5.084 -13.254 4.728 901 HB3 ASN 50 1HB ASN 50 5.528 -12.847 3.075 902 HD21 ASN 50 1HD2 ASN 50 4.112 -15.205 5.167 903 HD22 ASN 50 2HD2 ASN 50 3.446 -16.205 3.920 904 H HIS 51 H HIS 51 8.464 -12.722 2.504 905 HA HIS 51 HA HIS 51 8.303 -14.710 0.375 906 HB2 HIS 51 2HB HIS 51 8.666 -13.022 -1.103 907 HB3 HIS 51 1HB HIS 51 8.187 -12.004 0.246 908 HD1 HIS 51 1HD HIS 51 10.337 -11.056 1.702 909 HD2 HIS 51 2HD HIS 51 11.094 -12.432 -2.148 910 HE1 HIS 51 1HE HIS 51 12.554 -10.063 1.053 911 HE2 HIS 51 2HE HIS 51 13.079 -11.073 -1.192 912 H ASP 52 H ASP 52 10.452 -13.821 2.852 913 HA ASP 52 HA ASP 52 12.811 -14.730 1.361 914 HB2 ASP 52 2HB ASP 52 12.819 -12.504 2.573 915 HB3 ASP 52 1HB ASP 52 12.763 -13.414 4.080 916 H LYS 53 H LYS 53 13.491 -16.738 1.641 917 HA LYS 53 HA LYS 53 12.967 -18.058 4.218 918 HB2 LYS 53 2HB LYS 53 12.693 -19.317 1.479 919 HB3 LYS 53 1HB LYS 53 12.514 -20.160 3.013 920 HG2 LYS 53 2HG LYS 53 10.582 -18.791 3.560 921 HG3 LYS 53 1HG LYS 53 10.774 -17.895 2.053 922 HD2 LYS 53 2HD LYS 53 10.355 -19.925 0.775 923 HD3 LYS 53 1HD LYS 53 10.225 -20.855 2.269 924 HE2 LYS 53 2HE LYS 53 8.020 -20.318 1.374 925 HE3 LYS 53 1HE LYS 53 8.284 -19.530 2.929 926 HZ1 LYS 53 3HZ LYS 53 8.698 -17.465 1.827 927 HZ2 LYS 53 1HZ LYS 53 7.239 -18.085 1.232 928 HZ3 LYS 53 2HZ LYS 53 8.652 -18.196 0.298 929 H GLN 54 H GLN 54 14.627 -18.954 1.191 930 HA GLN 54 HA GLN 54 16.751 -19.582 0.720 931 HB2 GLN 54 2HB GLN 54 17.348 -17.996 3.217 932 HB3 GLN 54 1HB GLN 54 18.597 -18.719 2.213 933 HG2 GLN 54 2HG GLN 54 16.578 -16.702 1.254 934 HG3 GLN 54 1HG GLN 54 18.228 -16.325 1.750 935 HE21 GLN 54 1HE2 GLN 54 19.951 -17.009 0.453 936 HE22 GLN 54 2HE2 GLN 54 19.726 -17.492 -1.193 937 H LYS 55 H LYS 55 16.706 -21.754 0.832 938 HA LYS 55 HA LYS 55 16.878 -23.097 3.415 939 HB2 LYS 55 2HB LYS 55 16.631 -24.136 0.593 940 HB3 LYS 55 1HB LYS 55 16.770 -25.177 2.000 941 HG2 LYS 55 2HG LYS 55 14.678 -24.295 2.878 942 HG3 LYS 55 1HG LYS 55 14.546 -23.211 1.487 943 HD2 LYS 55 2HD LYS 55 14.399 -25.082 -0.018 944 HD3 LYS 55 1HD LYS 55 14.696 -26.215 1.299 945 HE2 LYS 55 2HE LYS 55 12.592 -25.569 2.345 946 HE3 LYS 55 1HE LYS 55 12.304 -24.390 1.065 947 HZ1 LYS 55 3HZ LYS 55 11.111 -26.523 0.763 948 HZ2 LYS 55 1HZ LYS 55 12.605 -27.306 0.594 949 HZ3 LYS 55 2HZ LYS 55 12.128 -26.130 -0.534 950 H LYS 56 H LYS 56 18.903 -22.106 0.827 951 HA LYS 56 HA LYS 56 21.015 -23.997 1.515 952 HB2 LYS 56 2HB LYS 56 20.529 -23.603 -0.863 953 HB3 LYS 56 1HB LYS 56 20.889 -21.895 -0.656 954 HG2 LYS 56 2HG LYS 56 23.201 -22.443 -0.098 955 HG3 LYS 56 1HG LYS 56 22.840 -24.160 -0.297 956 HD2 LYS 56 2HD LYS 56 22.222 -23.722 -2.647 957 HD3 LYS 56 1HD LYS 56 22.687 -22.033 -2.430 958 HE2 LYS 56 2HE LYS 56 24.480 -23.298 -3.486 959 HE3 LYS 56 1HE LYS 56 24.964 -22.723 -1.890 960 HZ1 LYS 56 3HZ LYS 56 24.473 -24.930 -0.999 961 HZ2 LYS 56 1HZ LYS 56 25.644 -25.006 -2.221 962 HZ3 LYS 56 2HZ LYS 56 24.050 -25.473 -2.546 Start of MODEL 18 1 H1 GLY 2 1HT GLY 2 -24.852 3.731 -12.969 2 H2 GLY 2 2HT GLY 2 -25.054 4.438 -11.443 3 H3 GLY 2 3HT GLY 2 -26.127 3.234 -11.970 4 HA2 GLY 2 1HA GLY 2 -24.535 2.377 -10.350 5 HA3 GLY 2 2HA GLY 2 -24.410 1.582 -11.914 6 H ARG 3 H ARG 3 -22.814 3.501 -9.554 7 HA ARG 3 HA ARG 3 -20.302 3.192 -10.980 8 HB2 ARG 3 2HB ARG 3 -21.305 5.357 -11.777 9 HB3 ARG 3 1HB ARG 3 -21.230 5.936 -10.120 10 HG2 ARG 3 2HG ARG 3 -18.804 5.716 -10.141 11 HG3 ARG 3 1HG ARG 3 -18.869 5.106 -11.797 12 HD2 ARG 3 2HD ARG 3 -19.674 7.842 -10.819 13 HD3 ARG 3 1HD ARG 3 -18.306 7.443 -11.862 14 HE ARG 3 HE ARG 3 -20.390 6.517 -13.286 15 HH11 ARG 3 1HH1 ARG 3 -19.711 9.631 -11.816 16 HH12 ARG 3 2HH1 ARG 3 -20.789 10.499 -12.868 17 HH21 ARG 3 1HH2 ARG 3 -21.779 7.658 -14.682 18 HH22 ARG 3 2HH2 ARG 3 -21.933 9.385 -14.527 19 HA PRO 4 HA PRO 4 -19.251 2.704 -6.650 20 HB2 PRO 4 2HB PRO 4 -16.540 2.154 -7.508 21 HB3 PRO 4 1HB PRO 4 -17.735 1.036 -6.849 22 HG2 PRO 4 2HG PRO 4 -16.861 0.957 -9.436 23 HG3 PRO 4 1HG PRO 4 -18.454 0.381 -8.916 24 HD2 PRO 4 2HD PRO 4 -17.706 2.966 -10.224 25 HD3 PRO 4 1HD PRO 4 -19.121 1.926 -10.504 26 H TYR 5 H TYR 5 -19.349 4.846 -5.950 27 HA TYR 5 HA TYR 5 -17.274 6.729 -6.694 28 HB2 TYR 5 2HB TYR 5 -19.294 7.103 -4.482 29 HB3 TYR 5 1HB TYR 5 -18.468 8.339 -5.420 30 HD1 TYR 5 1HD TYR 5 -19.060 8.495 -7.931 31 HD2 TYR 5 2HD TYR 5 -21.413 6.389 -5.078 32 HE1 TYR 5 1HE TYR 5 -21.000 8.616 -9.443 33 HE2 TYR 5 2HE TYR 5 -23.348 6.496 -6.581 34 HH TYR 5 HH TYR 5 -24.141 7.939 -8.447 35 H LYS 6 H LYS 6 -18.012 4.508 -4.176 36 HA LYS 6 HA LYS 6 -16.212 5.683 -2.251 37 HB2 LYS 6 2HB LYS 6 -16.822 3.685 -0.889 38 HB3 LYS 6 1HB LYS 6 -18.201 4.644 -1.406 39 HG2 LYS 6 2HG LYS 6 -18.782 3.038 -3.079 40 HG3 LYS 6 1HG LYS 6 -17.286 2.139 -2.806 41 HD2 LYS 6 2HD LYS 6 -18.001 1.548 -0.577 42 HD3 LYS 6 1HD LYS 6 -19.445 2.547 -0.740 43 HE2 LYS 6 2HE LYS 6 -18.832 0.183 -2.502 44 HE3 LYS 6 1HE LYS 6 -19.802 0.082 -1.034 45 HZ1 LYS 6 3HZ LYS 6 -21.315 0.322 -2.782 46 HZ2 LYS 6 1HZ LYS 6 -20.416 1.549 -3.533 47 HZ3 LYS 6 2HZ LYS 6 -21.230 1.862 -2.077 48 H LEU 7 H LEU 7 -15.875 3.669 -4.908 49 HA LEU 7 HA LEU 7 -13.508 2.318 -3.848 50 HB2 LEU 7 2HB LEU 7 -15.141 1.033 -5.188 51 HB3 LEU 7 1HB LEU 7 -14.845 2.098 -6.550 52 HG LEU 7 HG LEU 7 -12.489 1.323 -6.607 53 HD11 LEU 7 1HD1 LEU 7 -12.255 0.679 -4.269 54 HD12 LEU 7 2HD1 LEU 7 -11.860 -0.668 -5.337 55 HD13 LEU 7 3HD1 LEU 7 -13.415 -0.629 -4.503 56 HD21 LEU 7 3HD2 LEU 7 -14.573 -0.850 -6.773 57 HD22 LEU 7 1HD2 LEU 7 -12.974 -0.895 -7.517 58 HD23 LEU 7 2HD2 LEU 7 -14.160 0.299 -8.046 59 H LEU 8 H LEU 8 -14.475 4.935 -5.891 60 HA LEU 8 HA LEU 8 -11.793 5.264 -6.977 61 HB2 LEU 8 2HB LEU 8 -14.334 6.817 -7.468 62 HB3 LEU 8 1HB LEU 8 -12.798 7.152 -8.245 63 HG LEU 8 HG LEU 8 -14.422 4.623 -8.541 64 HD11 LEU 8 1HD1 LEU 8 -15.397 6.496 -9.725 65 HD12 LEU 8 2HD1 LEU 8 -14.671 5.363 -10.865 66 HD13 LEU 8 3HD1 LEU 8 -13.838 6.865 -10.466 67 HD21 LEU 8 3HD2 LEU 8 -12.039 4.141 -8.615 68 HD22 LEU 8 1HD2 LEU 8 -11.802 5.420 -9.805 69 HD23 LEU 8 2HD2 LEU 8 -12.752 3.993 -10.222 70 H ASN 9 H ASN 9 -13.995 6.743 -4.689 71 HA ASN 9 HA ASN 9 -12.219 8.953 -4.139 72 HB2 ASN 9 2HB ASN 9 -14.668 9.209 -3.894 73 HB3 ASN 9 1HB ASN 9 -14.664 7.983 -2.632 74 HD21 ASN 9 1HD2 ASN 9 -15.424 9.272 -1.024 75 HD22 ASN 9 2HD2 ASN 9 -14.535 10.607 -0.358 76 H GLY 10 H GLY 10 -11.049 9.232 -2.203 77 HA2 GLY 10 2HA GLY 10 -10.756 7.014 -0.387 78 HA3 GLY 10 1HA GLY 10 -9.405 7.206 -1.495 79 H ILE 11 H ILE 11 -8.935 7.371 1.141 80 HA ILE 11 HA ILE 11 -8.800 10.251 1.738 81 HB ILE 11 HB ILE 11 -8.533 7.952 3.683 82 HG12 ILE 11 2HG1 ILE 11 -10.803 8.044 2.765 83 HG13 ILE 11 1HG1 ILE 11 -10.782 8.528 4.456 84 HG21 ILE 11 1HG2 ILE 11 -8.811 10.918 4.139 85 HG22 ILE 11 2HG2 ILE 11 -7.377 9.936 4.443 86 HG23 ILE 11 3HG2 ILE 11 -8.836 9.689 5.404 87 HD11 ILE 11 3HD1 ILE 11 -10.954 10.372 2.082 88 HD12 ILE 11 1HD1 ILE 11 -10.871 10.880 3.769 89 HD13 ILE 11 2HD1 ILE 11 -12.260 9.958 3.195 90 H LYS 12 H LYS 12 -6.860 11.096 2.556 91 HA LYS 12 HA LYS 12 -4.509 9.716 1.483 92 HB2 LYS 12 2HB LYS 12 -4.969 11.915 0.557 93 HB3 LYS 12 1HB LYS 12 -5.018 12.616 2.167 94 HG2 LYS 12 2HG LYS 12 -2.941 13.183 1.141 95 HG3 LYS 12 1HG LYS 12 -2.628 12.035 2.443 96 HD2 LYS 12 2HD LYS 12 -2.500 10.220 0.790 97 HD3 LYS 12 1HD LYS 12 -2.784 11.391 -0.501 98 HE2 LYS 12 2HE LYS 12 -0.463 11.437 1.421 99 HE3 LYS 12 1HE LYS 12 -0.400 10.836 -0.235 100 HZ1 LYS 12 3HZ LYS 12 0.424 13.137 0.043 101 HZ2 LYS 12 1HZ LYS 12 -1.140 13.622 0.489 102 HZ3 LYS 12 2HZ LYS 12 -0.849 13.009 -1.064 103 H LEU 13 H LEU 13 -3.286 8.689 2.878 104 HA LEU 13 HA LEU 13 -3.136 9.661 5.644 105 HB2 LEU 13 2HB LEU 13 -2.373 7.299 6.155 106 HB3 LEU 13 1HB LEU 13 -4.057 7.498 5.714 107 HG LEU 13 HG LEU 13 -2.135 6.784 3.548 108 HD11 LEU 13 1HD1 LEU 13 -3.166 4.826 5.598 109 HD12 LEU 13 2HD1 LEU 13 -1.482 5.290 5.356 110 HD13 LEU 13 3HD1 LEU 13 -2.344 4.407 4.095 111 HD21 LEU 13 3HD2 LEU 13 -4.075 5.522 2.746 112 HD22 LEU 13 1HD2 LEU 13 -4.493 7.209 3.042 113 HD23 LEU 13 2HD2 LEU 13 -4.970 5.964 4.200 114 H GLY 14 H GLY 14 -1.046 9.116 6.748 115 HA2 GLY 14 2HA GLY 14 1.202 9.348 4.869 116 HA3 GLY 14 1HA GLY 14 1.031 10.502 6.180 117 H VAL 15 H VAL 15 2.720 7.951 5.269 118 HA VAL 15 HA VAL 15 2.808 6.647 7.909 119 HB VAL 15 HB VAL 15 4.042 5.637 5.337 120 HG11 VAL 15 1HG1 VAL 15 4.936 4.627 7.359 121 HG12 VAL 15 2HG1 VAL 15 3.979 3.460 6.447 122 HG13 VAL 15 3HG1 VAL 15 3.304 4.216 7.890 123 HG21 VAL 15 3HG2 VAL 15 2.091 4.177 5.075 124 HG22 VAL 15 1HG2 VAL 15 1.655 5.882 4.962 125 HG23 VAL 15 2HG2 VAL 15 1.314 4.982 6.439 126 H TYR 16 H TYR 16 4.993 6.046 8.692 127 HA TYR 16 HA TYR 16 7.164 7.660 7.558 128 HB2 TYR 16 2HB TYR 16 6.266 7.500 10.381 129 HB3 TYR 16 1HB TYR 16 8.003 7.489 10.099 130 HD1 TYR 16 1HD TYR 16 9.111 9.387 9.091 131 HD2 TYR 16 2HD TYR 16 4.954 9.503 9.964 132 HE1 TYR 16 1HE TYR 16 9.136 11.819 8.826 133 HE2 TYR 16 2HE TYR 16 4.964 11.946 9.705 134 HH TYR 16 HH TYR 16 7.735 13.659 8.453 135 H ILE 17 H ILE 17 8.803 6.499 6.936 136 HA ILE 17 HA ILE 17 9.429 3.980 8.286 137 HB ILE 17 HB ILE 17 9.751 2.791 6.174 138 HG12 ILE 17 2HG1 ILE 17 8.525 5.231 4.868 139 HG13 ILE 17 1HG1 ILE 17 10.206 4.725 4.723 140 HG21 ILE 17 1HG2 ILE 17 6.986 3.946 6.498 141 HG22 ILE 17 2HG2 ILE 17 7.635 2.512 7.294 142 HG23 ILE 17 3HG2 ILE 17 7.381 2.510 5.549 143 HD11 ILE 17 3HD1 ILE 17 7.821 3.150 3.776 144 HD12 ILE 17 1HD1 ILE 17 9.515 2.697 3.587 145 HD13 ILE 17 2HD1 ILE 17 8.887 4.123 2.759 146 HA PRO 18 HA PRO 18 13.548 5.443 8.103 147 HB2 PRO 18 2HB PRO 18 14.916 3.082 7.998 148 HB3 PRO 18 1HB PRO 18 14.142 3.702 9.460 149 HG2 PRO 18 2HG PRO 18 13.150 1.655 7.514 150 HG3 PRO 18 1HG PRO 18 13.084 1.638 9.286 151 HD2 PRO 18 2HD PRO 18 10.947 2.298 7.790 152 HD3 PRO 18 1HD PRO 18 11.268 3.062 9.362 153 H GLN 19 H GLN 19 15.500 5.519 6.857 154 HA GLN 19 HA GLN 19 15.052 5.586 4.058 155 HB2 GLN 19 2HB GLN 19 17.397 6.240 3.882 156 HB3 GLN 19 1HB GLN 19 16.601 7.125 5.177 157 HG2 GLN 19 2HG GLN 19 18.147 6.446 6.603 158 HG3 GLN 19 1HG GLN 19 17.715 4.763 6.283 159 HE21 GLN 19 1HE2 GLN 19 18.465 4.867 3.494 160 HE22 GLN 19 2HE2 GLN 19 20.197 4.879 3.442 161 H GLU 20 H GLU 20 16.181 3.163 6.207 162 HA GLU 20 HA GLU 20 17.488 1.353 4.575 163 HB2 GLU 20 2HB GLU 20 15.354 0.782 6.650 164 HB3 GLU 20 1HB GLU 20 16.472 -0.407 6.000 165 HG2 GLU 20 2HG GLU 20 17.368 2.060 7.457 166 HG3 GLU 20 1HG GLU 20 17.041 0.523 8.257 167 H TRP 21 H TRP 21 14.077 2.132 4.802 168 HA TRP 21 HA TRP 21 13.237 0.069 2.973 169 HB2 TRP 21 2HB TRP 21 11.830 2.453 4.179 170 HB3 TRP 21 1HB TRP 21 11.056 1.338 3.058 171 HD1 TRP 21 HD TRP 21 13.303 0.169 5.993 172 HE1 TRP 21 1HE TRP 21 11.815 -1.184 7.616 173 HE3 TRP 21 3HE TRP 21 8.804 0.931 3.734 174 HZ2 TRP 21 2HZ TRP 21 9.058 -1.810 7.882 175 HZ3 TRP 21 3HZ TRP 21 6.789 -0.055 4.727 176 HH2 TRP 21 HH TRP 21 6.904 -1.388 6.748 177 H HIS 22 H HIS 22 13.765 3.562 2.923 178 HA HIS 22 HA HIS 22 12.774 3.994 0.334 179 HB2 HIS 22 2HB HIS 22 14.639 5.508 2.111 180 HB3 HIS 22 1HB HIS 22 14.470 5.996 0.422 181 HD1 HIS 22 1HD HIS 22 12.937 7.946 0.362 182 HD2 HIS 22 2HD HIS 22 11.651 5.025 3.032 183 HE1 HIS 22 1HE HIS 22 10.714 8.745 1.220 184 HE2 HIS 22 2HE HIS 22 9.899 6.904 2.734 185 H ASP 23 H ASP 23 16.172 3.533 1.366 186 HA ASP 23 HA ASP 23 17.206 3.574 -1.245 187 HB2 ASP 23 2HB ASP 23 18.593 3.815 0.801 188 HB3 ASP 23 1HB ASP 23 18.350 2.102 1.134 189 H ARG 24 H ARG 24 16.464 0.751 0.830 190 HA ARG 24 HA ARG 24 17.223 -1.037 -1.295 191 HB2 ARG 24 2HB ARG 24 16.169 -1.485 1.488 192 HB3 ARG 24 1HB ARG 24 16.377 -2.813 0.356 193 HG2 ARG 24 2HG ARG 24 18.309 -2.742 1.723 194 HG3 ARG 24 1HG ARG 24 18.770 -2.141 0.130 195 HD2 ARG 24 2HD ARG 24 18.370 0.185 1.062 196 HD3 ARG 24 1HD ARG 24 18.306 -0.571 2.650 197 HE ARG 24 HE ARG 24 20.635 -0.362 0.888 198 HH11 ARG 24 1HH1 ARG 24 19.334 -1.424 3.989 199 HH12 ARG 24 2HH1 ARG 24 20.901 -1.505 4.735 200 HH21 ARG 24 1HH2 ARG 24 22.656 -0.512 1.871 201 HH22 ARG 24 2HH2 ARG 24 22.789 -1.008 3.535 202 H LEU 25 H LEU 25 14.133 -0.440 0.407 203 HA LEU 25 HA LEU 25 12.762 -2.327 -1.190 204 HB2 LEU 25 2HB LEU 25 11.633 -0.058 0.441 205 HB3 LEU 25 1HB LEU 25 10.697 -1.366 -0.258 206 HG LEU 25 HG LEU 25 12.716 -1.537 1.968 207 HD11 LEU 25 1HD1 LEU 25 10.835 -2.432 3.230 208 HD12 LEU 25 2HD1 LEU 25 9.792 -2.240 1.821 209 HD13 LEU 25 3HD1 LEU 25 10.482 -0.820 2.609 210 HD21 LEU 25 3HD2 LEU 25 12.338 -3.949 1.986 211 HD22 LEU 25 1HD2 LEU 25 13.065 -3.430 0.464 212 HD23 LEU 25 2HD2 LEU 25 11.344 -3.810 0.535 213 H MET 26 H MET 26 13.111 1.225 -1.449 214 HA MET 26 HA MET 26 11.265 1.362 -3.621 215 HB2 MET 26 2HB MET 26 13.369 3.352 -2.773 216 HB3 MET 26 1HB MET 26 12.129 3.654 -3.983 217 HG2 MET 26 2HG MET 26 10.404 3.259 -2.263 218 HG3 MET 26 1HG MET 26 11.681 3.055 -1.070 219 HE1 MET 26 3HE MET 26 10.958 7.013 -3.328 220 HE2 MET 26 1HE MET 26 9.969 5.574 -3.570 221 HE3 MET 26 2HE MET 26 11.662 5.570 -4.064 222 H GLU 27 H GLU 27 14.706 0.732 -3.405 223 HA GLU 27 HA GLU 27 15.261 0.959 -6.165 224 HB2 GLU 27 2HB GLU 27 17.049 0.731 -4.511 225 HB3 GLU 27 1HB GLU 27 16.483 -0.882 -4.096 226 HG2 GLU 27 2HG GLU 27 17.008 -1.636 -6.367 227 HG3 GLU 27 1HG GLU 27 17.607 -0.022 -6.750 228 H ILE 28 H ILE 28 14.119 -1.725 -4.173 229 HA ILE 28 HA ILE 28 13.819 -3.606 -6.269 230 HB ILE 28 HB ILE 28 12.290 -3.393 -3.663 231 HG12 ILE 28 2HG1 ILE 28 14.710 -5.073 -4.371 232 HG13 ILE 28 1HG1 ILE 28 14.752 -3.599 -3.408 233 HG21 ILE 28 1HG2 ILE 28 11.794 -5.771 -3.979 234 HG22 ILE 28 2HG2 ILE 28 12.581 -5.724 -5.557 235 HG23 ILE 28 3HG2 ILE 28 11.115 -4.784 -5.275 236 HD11 ILE 28 3HD1 ILE 28 14.838 -5.591 -2.015 237 HD12 ILE 28 1HD1 ILE 28 13.298 -6.132 -2.680 238 HD13 ILE 28 2HD1 ILE 28 13.371 -4.660 -1.709 239 H ALA 29 H ALA 29 11.804 -1.067 -4.976 240 HA ALA 29 HA ALA 29 9.413 -1.658 -6.319 241 HB1 ALA 29 1HB ALA 29 8.779 0.647 -5.847 242 HB2 ALA 29 2HB ALA 29 10.449 1.026 -5.422 243 HB3 ALA 29 3HB ALA 29 9.524 -0.109 -4.438 244 H LYS 30 H LYS 30 12.364 -0.144 -7.409 245 HA LYS 30 HA LYS 30 11.164 0.929 -9.795 246 HB2 LYS 30 2HB LYS 30 14.064 0.442 -9.095 247 HB3 LYS 30 1HB LYS 30 13.514 1.276 -10.546 248 HG2 LYS 30 2HG LYS 30 12.423 2.967 -9.102 249 HG3 LYS 30 1HG LYS 30 13.127 2.167 -7.697 250 HD2 LYS 30 2HD LYS 30 15.356 2.604 -8.517 251 HD3 LYS 30 1HD LYS 30 14.706 3.293 -10.004 252 HE2 LYS 30 2HE LYS 30 14.318 4.388 -7.219 253 HE3 LYS 30 1HE LYS 30 15.402 5.041 -8.446 254 HZ1 LYS 30 3HZ LYS 30 13.419 5.422 -9.857 255 HZ2 LYS 30 1HZ LYS 30 13.400 6.320 -8.418 256 HZ3 LYS 30 2HZ LYS 30 12.432 4.938 -8.565 257 H GLU 31 H GLU 31 12.944 -1.927 -8.876 258 HA GLU 31 HA GLU 31 13.088 -3.168 -11.385 259 HB2 GLU 31 2HB GLU 31 14.396 -4.047 -9.609 260 HB3 GLU 31 1HB GLU 31 12.999 -4.216 -8.561 261 HG2 GLU 31 2HG GLU 31 13.803 -6.369 -9.344 262 HG3 GLU 31 1HG GLU 31 12.169 -6.042 -9.916 263 H LYS 32 H LYS 32 10.540 -3.037 -8.959 264 HA LYS 32 HA LYS 32 8.878 -4.880 -10.484 265 HB2 LYS 32 2HB LYS 32 8.891 -3.849 -7.717 266 HB3 LYS 32 1HB LYS 32 7.304 -4.156 -8.406 267 HG2 LYS 32 2HG LYS 32 8.170 -6.070 -7.138 268 HG3 LYS 32 1HG LYS 32 7.887 -6.459 -8.833 269 HD2 LYS 32 2HD LYS 32 10.295 -6.163 -9.278 270 HD3 LYS 32 1HD LYS 32 10.551 -5.837 -7.562 271 HE2 LYS 32 2HE LYS 32 9.852 -8.049 -6.969 272 HE3 LYS 32 1HE LYS 32 9.332 -8.384 -8.620 273 HZ1 LYS 32 3HZ LYS 32 11.621 -8.256 -9.343 274 HZ2 LYS 32 1HZ LYS 32 11.471 -9.407 -8.108 275 HZ3 LYS 32 2HZ LYS 32 12.141 -7.884 -7.773 276 H ASN 33 H ASN 33 9.457 -1.640 -10.514 277 HA ASN 33 HA ASN 33 8.493 0.126 -11.555 278 HB2 ASN 33 2HB ASN 33 6.745 -2.046 -12.710 279 HB3 ASN 33 1HB ASN 33 6.659 -0.361 -13.214 280 HD21 ASN 33 1HD2 ASN 33 7.407 -2.769 -14.715 281 HD22 ASN 33 2HD2 ASN 33 9.002 -2.470 -15.327 282 H LEU 34 H LEU 34 7.778 -0.233 -8.961 283 HA LEU 34 HA LEU 34 5.054 0.877 -8.895 284 HB2 LEU 34 2HB LEU 34 6.240 -1.139 -6.982 285 HB3 LEU 34 1HB LEU 34 4.728 -0.287 -6.714 286 HG LEU 34 HG LEU 34 5.222 -2.120 -9.060 287 HD11 LEU 34 1HD1 LEU 34 3.866 -3.756 -7.848 288 HD12 LEU 34 2HD1 LEU 34 3.829 -2.686 -6.446 289 HD13 LEU 34 3HD1 LEU 34 5.358 -3.385 -6.985 290 HD21 LEU 34 3HD2 LEU 34 3.482 -0.455 -9.422 291 HD22 LEU 34 1HD2 LEU 34 2.703 -0.923 -7.912 292 HD23 LEU 34 2HD2 LEU 34 2.781 -2.065 -9.253 293 H THR 35 H THR 35 4.688 2.166 -6.866 294 HA THR 35 HA THR 35 7.200 3.410 -5.965 295 HB THR 35 HB THR 35 4.652 4.711 -5.240 296 HG1 THR 35 1HG THR 35 3.912 4.380 -7.226 297 HG21 THR 35 3HG2 THR 35 7.180 5.712 -6.559 298 HG22 THR 35 1HG2 THR 35 6.839 5.742 -4.828 299 HG23 THR 35 2HG2 THR 35 5.873 6.717 -5.936 300 H LEU 36 H LEU 36 7.232 4.064 -3.619 301 HA LEU 36 HA LEU 36 6.772 1.872 -1.967 302 HB2 LEU 36 2HB LEU 36 7.340 3.275 -0.099 303 HB3 LEU 36 1HB LEU 36 8.397 3.625 -1.448 304 HG LEU 36 HG LEU 36 6.036 5.343 -0.669 305 HD11 LEU 36 1HD1 LEU 36 8.965 5.672 -0.029 306 HD12 LEU 36 2HD1 LEU 36 7.682 5.300 1.123 307 HD13 LEU 36 3HD1 LEU 36 7.702 6.859 0.298 308 HD21 LEU 36 3HD2 LEU 36 7.198 7.044 -2.041 309 HD22 LEU 36 1HD2 LEU 36 6.669 5.648 -2.983 310 HD23 LEU 36 2HD2 LEU 36 8.364 5.815 -2.530 311 H SER 37 H SER 37 4.790 4.786 -2.352 312 HA SER 37 HA SER 37 2.790 4.167 -0.523 313 HB2 SER 37 2HB SER 37 2.376 5.507 -3.204 314 HB3 SER 37 1HB SER 37 1.416 5.721 -1.739 315 HG SER 37 HG SER 37 2.735 7.278 -1.297 316 H ASP 38 H ASP 38 3.129 3.199 -3.924 317 HA ASP 38 HA ASP 38 0.674 1.816 -4.120 318 HB2 ASP 38 2HB ASP 38 3.249 1.472 -5.672 319 HB3 ASP 38 1HB ASP 38 1.739 0.666 -6.083 320 H VAL 39 H VAL 39 3.975 0.712 -3.427 321 HA VAL 39 HA VAL 39 3.355 -2.031 -3.215 322 HB VAL 39 HB VAL 39 5.604 -0.512 -1.878 323 HG11 VAL 39 1HG1 VAL 39 5.230 -2.696 -0.848 324 HG12 VAL 39 2HG1 VAL 39 6.744 -2.666 -1.751 325 HG13 VAL 39 3HG1 VAL 39 5.328 -3.465 -2.433 326 HG21 VAL 39 3HG2 VAL 39 6.963 -1.293 -3.776 327 HG22 VAL 39 1HG2 VAL 39 5.652 -0.231 -4.286 328 HG23 VAL 39 2HG2 VAL 39 5.512 -1.973 -4.515 329 H CYS 40 H CYS 40 3.347 0.587 -0.861 330 HA CYS 40 HA CYS 40 2.936 -1.030 1.436 331 HB2 CYS 40 2HB CYS 40 3.607 1.535 1.090 332 HB3 CYS 40 1HB CYS 40 1.873 1.774 1.308 333 HG CYS 40 HG CYS 40 3.164 -0.194 3.648 334 H ARG 41 H ARG 41 0.717 0.725 -0.681 335 HA ARG 41 HA ARG 41 -1.715 -0.040 0.452 336 HB2 ARG 41 2HB ARG 41 -1.564 1.728 -1.173 337 HB3 ARG 41 1HB ARG 41 -0.919 0.636 -2.381 338 HG2 ARG 41 2HG ARG 41 -3.648 0.137 -1.295 339 HG3 ARG 41 1HG ARG 41 -3.404 1.431 -2.467 340 HD2 ARG 41 2HD ARG 41 -2.197 -0.329 -3.879 341 HD3 ARG 41 1HD ARG 41 -2.927 -1.517 -2.798 342 HE ARG 41 HE ARG 41 -4.615 0.426 -4.228 343 HH11 ARG 41 1HH1 ARG 41 -3.691 -2.881 -3.558 344 HH12 ARG 41 2HH1 ARG 41 -4.979 -3.571 -4.503 345 HH21 ARG 41 1HH2 ARG 41 -6.308 -0.474 -5.466 346 HH22 ARG 41 2HH2 ARG 41 -6.456 -2.194 -5.600 347 H LEU 42 H LEU 42 0.188 -1.612 -2.123 348 HA LEU 42 HA LEU 42 -1.604 -3.785 -2.489 349 HB2 LEU 42 2HB LEU 42 1.371 -3.696 -3.023 350 HB3 LEU 42 1HB LEU 42 0.234 -4.852 -3.691 351 HG LEU 42 HG LEU 42 0.203 -1.886 -4.246 352 HD11 LEU 42 1HD1 LEU 42 1.159 -4.184 -5.954 353 HD12 LEU 42 2HD1 LEU 42 2.177 -2.964 -5.190 354 HD13 LEU 42 3HD1 LEU 42 1.043 -2.499 -6.458 355 HD21 LEU 42 3HD2 LEU 42 -2.003 -2.911 -4.419 356 HD22 LEU 42 1HD2 LEU 42 -1.354 -4.163 -5.479 357 HD23 LEU 42 2HD2 LEU 42 -1.387 -2.483 -6.014 358 H ALA 43 H ALA 43 0.826 -3.037 -0.198 359 HA ALA 43 HA ALA 43 1.382 -5.663 0.682 360 HB1 ALA 43 1HB ALA 43 2.509 -4.607 2.547 361 HB2 ALA 43 2HB ALA 43 1.780 -3.057 2.126 362 HB3 ALA 43 3HB ALA 43 2.935 -3.815 1.030 363 H ILE 44 H ILE 44 -0.867 -3.135 1.766 364 HA ILE 44 HA ILE 44 -1.672 -4.518 4.101 365 HB ILE 44 HB ILE 44 -3.892 -3.011 3.407 366 HG12 ILE 44 2HG1 ILE 44 -1.378 -1.533 2.594 367 HG13 ILE 44 1HG1 ILE 44 -2.699 -2.004 1.526 368 HG21 ILE 44 1HG2 ILE 44 -1.503 -2.370 5.114 369 HG22 ILE 44 2HG2 ILE 44 -3.013 -3.134 5.608 370 HG23 ILE 44 3HG2 ILE 44 -2.999 -1.439 5.124 371 HD11 ILE 44 3HD1 ILE 44 -2.873 -0.025 3.791 372 HD12 ILE 44 1HD1 ILE 44 -4.213 -0.526 2.760 373 HD13 ILE 44 2HD1 ILE 44 -2.848 0.348 2.066 374 H LYS 45 H LYS 45 -2.980 -4.406 0.796 375 HA LYS 45 HA LYS 45 -5.190 -6.055 1.375 376 HB2 LYS 45 2HB LYS 45 -4.766 -4.726 -0.778 377 HB3 LYS 45 1HB LYS 45 -3.794 -6.104 -1.289 378 HG2 LYS 45 2HG LYS 45 -5.770 -7.563 -0.912 379 HG3 LYS 45 1HG LYS 45 -6.718 -6.117 -0.574 380 HD2 LYS 45 2HD LYS 45 -6.145 -5.282 -2.839 381 HD3 LYS 45 1HD LYS 45 -5.349 -6.825 -3.163 382 HE2 LYS 45 2HE LYS 45 -8.264 -6.339 -2.579 383 HE3 LYS 45 1HE LYS 45 -7.554 -6.941 -4.076 384 HZ1 LYS 45 3HZ LYS 45 -6.796 -8.912 -2.780 385 HZ2 LYS 45 1HZ LYS 45 -8.483 -8.775 -2.900 386 HZ3 LYS 45 2HZ LYS 45 -7.698 -8.347 -1.463 387 H GLU 46 H GLU 46 -1.859 -6.793 0.544 388 HA GLU 46 HA GLU 46 -2.195 -9.601 0.207 389 HB2 GLU 46 2HB GLU 46 -0.265 -8.233 -0.661 390 HB3 GLU 46 1HB GLU 46 0.302 -8.083 0.995 391 HG2 GLU 46 2HG GLU 46 1.581 -9.807 0.156 392 HG3 GLU 46 1HG GLU 46 0.290 -10.651 1.009 393 H TYR 47 H TYR 47 -1.541 -7.446 2.853 394 HA TYR 47 HA TYR 47 -0.743 -9.303 4.792 395 HB2 TYR 47 2HB TYR 47 -0.402 -6.877 5.007 396 HB3 TYR 47 1HB TYR 47 -2.141 -6.637 5.109 397 HD1 TYR 47 1HD TYR 47 0.818 -7.947 6.872 398 HD2 TYR 47 2HD TYR 47 -3.312 -6.969 7.170 399 HE1 TYR 47 1HE TYR 47 0.953 -8.140 9.319 400 HE2 TYR 47 2HE TYR 47 -3.190 -7.163 9.618 401 HH TYR 47 HH TYR 47 -0.232 -7.350 11.302 402 H LEU 48 H LEU 48 -3.894 -7.929 3.964 403 HA LEU 48 HA LEU 48 -5.381 -9.330 5.911 404 HB2 LEU 48 2HB LEU 48 -6.291 -8.326 3.212 405 HB3 LEU 48 1HB LEU 48 -7.338 -8.781 4.543 406 HG LEU 48 HG LEU 48 -5.413 -6.453 4.530 407 HD11 LEU 48 1HD1 LEU 48 -7.331 -6.084 3.091 408 HD12 LEU 48 2HD1 LEU 48 -7.452 -5.094 4.546 409 HD13 LEU 48 3HD1 LEU 48 -8.422 -6.560 4.393 410 HD21 LEU 48 3HD2 LEU 48 -7.405 -7.343 6.616 411 HD22 LEU 48 1HD2 LEU 48 -6.461 -5.854 6.660 412 HD23 LEU 48 2HD2 LEU 48 -5.649 -7.416 6.758 413 H ASP 49 H ASP 49 -4.695 -9.990 2.503 414 HA ASP 49 HA ASP 49 -6.164 -12.357 2.268 415 HB2 ASP 49 2HB ASP 49 -4.404 -10.839 0.660 416 HB3 ASP 49 1HB ASP 49 -3.814 -12.499 0.637 417 H ASN 50 H ASN 50 -2.889 -11.798 3.431 418 HA ASN 50 HA ASN 50 -2.206 -14.589 3.502 419 HB2 ASN 50 2HB ASN 50 -0.474 -12.860 3.223 420 HB3 ASN 50 1HB ASN 50 -0.848 -12.223 4.822 421 HD21 ASN 50 1HD2 ASN 50 1.186 -12.579 5.634 422 HD22 ASN 50 2HD2 ASN 50 1.815 -14.157 5.957 423 H HIS 51 H HIS 51 -3.539 -12.264 5.759 424 HA HIS 51 HA HIS 51 -3.239 -14.114 7.991 425 HB2 HIS 51 2HB HIS 51 -4.183 -11.273 7.757 426 HB3 HIS 51 1HB HIS 51 -4.529 -12.209 9.208 427 HD1 HIS 51 1HD HIS 51 -2.895 -11.657 10.974 428 HD2 HIS 51 2HD HIS 51 -1.151 -11.649 7.194 429 HE1 HIS 51 1HE HIS 51 -0.459 -11.126 11.345 430 HE2 HIS 51 2HE HIS 51 0.612 -11.321 9.063 431 H ASP 52 H ASP 52 -5.407 -13.652 5.522 432 HA ASP 52 HA ASP 52 -7.659 -14.705 7.063 433 HB2 ASP 52 2HB ASP 52 -8.095 -12.909 5.399 434 HB3 ASP 52 1HB ASP 52 -7.520 -13.981 4.127 435 H LYS 53 H LYS 53 -5.671 -15.496 4.233 436 HA LYS 53 HA LYS 53 -6.730 -18.092 3.886 437 HB2 LYS 53 2HB LYS 53 -5.416 -16.674 2.205 438 HB3 LYS 53 1HB LYS 53 -3.970 -17.210 3.047 439 HG2 LYS 53 2HG LYS 53 -4.380 -18.551 1.063 440 HG3 LYS 53 1HG LYS 53 -4.507 -19.529 2.524 441 HD2 LYS 53 2HD LYS 53 -6.282 -20.025 0.883 442 HD3 LYS 53 1HD LYS 53 -6.924 -19.446 2.418 443 HE2 LYS 53 2HE LYS 53 -7.068 -17.163 1.398 444 HE3 LYS 53 1HE LYS 53 -6.617 -17.887 -0.146 445 HZ1 LYS 53 3HZ LYS 53 -8.586 -19.354 0.097 446 HZ2 LYS 53 1HZ LYS 53 -8.972 -17.710 -0.066 447 HZ3 LYS 53 2HZ LYS 53 -9.047 -18.448 1.459 448 H GLN 54 H GLN 54 -3.704 -16.941 5.371 449 HA GLN 54 HA GLN 54 -2.549 -17.649 7.189 450 HB2 GLN 54 2HB GLN 54 -4.957 -19.402 7.680 451 HB3 GLN 54 1HB GLN 54 -3.664 -19.103 8.831 452 HG2 GLN 54 2HG GLN 54 -4.273 -16.828 9.054 453 HG3 GLN 54 1HG GLN 54 -5.390 -16.927 7.691 454 HE21 GLN 54 1HE2 GLN 54 -7.365 -17.952 7.954 455 HE22 GLN 54 2HE2 GLN 54 -8.012 -18.338 9.513 456 H LYS 55 H LYS 55 -0.742 -18.754 6.661 457 HA LYS 55 HA LYS 55 -0.924 -21.545 5.867 458 HB2 LYS 55 2HB LYS 55 1.474 -21.533 5.751 459 HB3 LYS 55 1HB LYS 55 0.911 -20.032 5.034 460 HG2 LYS 55 2HG LYS 55 1.503 -18.804 7.010 461 HG3 LYS 55 1HG LYS 55 1.917 -20.296 7.858 462 HD2 LYS 55 2HD LYS 55 3.673 -20.697 6.130 463 HD3 LYS 55 1HD LYS 55 3.322 -19.096 5.473 464 HE2 LYS 55 2HE LYS 55 4.289 -19.724 8.260 465 HE3 LYS 55 1HE LYS 55 5.237 -18.997 6.964 466 HZ1 LYS 55 3HZ LYS 55 4.486 -17.299 8.468 467 HZ2 LYS 55 1HZ LYS 55 2.874 -17.799 8.311 468 HZ3 LYS 55 2HZ LYS 55 3.680 -17.111 6.988 469 H LYS 56 H LYS 56 -0.334 -19.586 8.640 470 HA LYS 56 HA LYS 56 -0.745 -21.824 10.421 471 HB2 LYS 56 2HB LYS 56 1.671 -21.859 10.226 472 HB3 LYS 56 1HB LYS 56 1.756 -20.121 10.482 473 HG2 LYS 56 2HG LYS 56 0.765 -20.514 12.751 474 HG3 LYS 56 1HG LYS 56 1.005 -22.239 12.470 475 HD2 LYS 56 2HD LYS 56 3.369 -21.954 12.307 476 HD3 LYS 56 1HD LYS 56 3.210 -20.194 12.310 477 HE2 LYS 56 2HE LYS 56 2.526 -22.062 14.578 478 HE3 LYS 56 1HE LYS 56 3.929 -20.997 14.490 479 HZ1 LYS 56 3HZ LYS 56 2.130 -20.077 15.849 480 HZ2 LYS 56 1HZ LYS 56 1.098 -20.084 14.503 481 HZ3 LYS 56 2HZ LYS 56 2.475 -19.092 14.513 482 H1 GLY 2 1HT GLY 2 27.494 2.022 19.260 483 H2 GLY 2 2HT GLY 2 28.549 3.296 18.889 484 H3 GLY 2 3HT GLY 2 28.884 1.728 18.335 485 HA2 GLY 2 1HA GLY 2 28.024 3.104 16.552 486 HA3 GLY 2 2HA GLY 2 26.954 1.758 16.919 487 H ARG 3 H ARG 3 25.994 3.867 15.557 488 HA ARG 3 HA ARG 3 23.766 4.693 17.094 489 HB2 ARG 3 2HB ARG 3 25.386 6.302 18.040 490 HB3 ARG 3 1HB ARG 3 25.784 6.857 16.420 491 HG2 ARG 3 2HG ARG 3 23.533 7.705 16.123 492 HG3 ARG 3 1HG ARG 3 23.067 7.072 17.701 493 HD2 ARG 3 2HD ARG 3 25.235 9.121 17.274 494 HD3 ARG 3 1HD ARG 3 23.562 9.519 17.671 495 HE ARG 3 HE ARG 3 24.689 7.671 19.539 496 HH11 ARG 3 1HH1 ARG 3 24.611 11.079 18.671 497 HH12 ARG 3 2HH1 ARG 3 24.934 11.619 20.289 498 HH21 ARG 3 1HH2 ARG 3 25.111 8.395 21.667 499 HH22 ARG 3 2HH2 ARG 3 25.230 10.103 21.992 500 HA PRO 4 HA PRO 4 23.102 4.510 12.681 501 HB2 PRO 4 2HB PRO 4 20.584 3.590 12.753 502 HB3 PRO 4 1HB PRO 4 21.965 2.565 13.157 503 HG2 PRO 4 2HG PRO 4 19.977 3.862 14.949 504 HG3 PRO 4 1HG PRO 4 20.818 2.314 15.134 505 HD2 PRO 4 2HD PRO 4 21.491 4.745 16.369 506 HD3 PRO 4 1HD PRO 4 22.501 3.289 16.299 507 H TYR 5 H TYR 5 23.060 6.554 11.911 508 HA TYR 5 HA TYR 5 20.892 8.375 12.530 509 HB2 TYR 5 2HB TYR 5 23.121 8.564 10.479 510 HB3 TYR 5 1HB TYR 5 21.986 9.852 10.861 511 HD1 TYR 5 2HD TYR 5 24.632 7.719 12.381 512 HD2 TYR 5 1HD TYR 5 22.466 11.375 12.570 513 HE1 TYR 5 2HE TYR 5 26.145 8.515 14.142 514 HE2 TYR 5 1HE TYR 5 23.977 12.181 14.336 515 HH TYR 5 HH TYR 5 25.491 11.311 16.008 516 H LYS 6 H LYS 6 21.386 5.760 10.586 517 HA LYS 6 HA LYS 6 19.566 6.512 8.468 518 HB2 LYS 6 2HB LYS 6 19.884 4.081 7.819 519 HB3 LYS 6 1HB LYS 6 21.330 5.080 7.796 520 HG2 LYS 6 2HG LYS 6 22.154 4.113 9.783 521 HG3 LYS 6 1HG LYS 6 20.601 3.354 10.146 522 HD2 LYS 6 2HD LYS 6 20.838 1.888 8.236 523 HD3 LYS 6 1HD LYS 6 22.335 2.690 7.768 524 HE2 LYS 6 2HE LYS 6 22.030 1.371 10.445 525 HE3 LYS 6 1HE LYS 6 22.489 0.453 9.014 526 HZ1 LYS 6 3HZ LYS 6 24.330 2.127 8.741 527 HZ2 LYS 6 1HZ LYS 6 24.477 1.068 10.060 528 HZ3 LYS 6 2HZ LYS 6 23.972 2.665 10.311 529 H LEU 7 H LEU 7 19.537 4.748 11.486 530 HA LEU 7 HA LEU 7 16.827 3.774 10.989 531 HB2 LEU 7 2HB LEU 7 18.591 2.268 11.938 532 HB3 LEU 7 1HB LEU 7 18.602 3.270 13.377 533 HG LEU 7 HG LEU 7 16.243 2.697 13.789 534 HD11 LEU 7 1HD1 LEU 7 15.202 0.885 12.506 535 HD12 LEU 7 2HD1 LEU 7 16.576 0.888 11.400 536 HD13 LEU 7 3HD1 LEU 7 15.526 2.301 11.507 537 HD21 LEU 7 3HD2 LEU 7 18.050 0.312 13.424 538 HD22 LEU 7 1HD2 LEU 7 16.611 0.375 14.442 539 HD23 LEU 7 2HD2 LEU 7 18.008 1.380 14.828 540 H LEU 8 H LEU 8 18.581 6.156 12.782 541 HA LEU 8 HA LEU 8 16.233 6.972 14.295 542 HB2 LEU 8 2HB LEU 8 19.002 8.163 14.058 543 HB3 LEU 8 1HB LEU 8 17.729 8.838 15.056 544 HG LEU 8 HG LEU 8 19.002 6.119 15.424 545 HD11 LEU 8 1HD1 LEU 8 20.491 7.968 15.991 546 HD12 LEU 8 2HD1 LEU 8 19.970 7.098 17.434 547 HD13 LEU 8 3HD1 LEU 8 19.248 8.658 17.035 548 HD21 LEU 8 3HD2 LEU 8 16.937 7.578 17.075 549 HD22 LEU 8 1HD2 LEU 8 17.722 6.060 17.513 550 HD23 LEU 8 2HD2 LEU 8 16.661 6.131 16.107 551 H ASN 9 H ASN 9 15.670 6.957 11.653 552 HA ASN 9 HA ASN 9 15.316 9.742 10.947 553 HB2 ASN 9 2HB ASN 9 17.602 8.835 10.046 554 HB3 ASN 9 1HB ASN 9 16.605 7.954 8.896 555 HD21 ASN 9 1HD2 ASN 9 18.561 9.996 8.401 556 HD22 ASN 9 2HD2 ASN 9 17.753 11.291 7.583 557 H GLY 10 H GLY 10 13.769 9.950 9.198 558 HA2 GLY 10 2HA GLY 10 12.404 7.612 8.235 559 HA3 GLY 10 1HA GLY 10 11.505 8.479 9.477 560 H ILE 11 H ILE 11 11.043 8.054 6.561 561 HA ILE 11 HA ILE 11 11.036 10.868 5.662 562 HB ILE 11 HB ILE 11 10.802 8.483 3.834 563 HG12 ILE 11 2HG1 ILE 11 12.924 8.255 5.061 564 HG13 ILE 11 1HG1 ILE 11 13.195 8.636 3.363 565 HG21 ILE 11 1HG2 ILE 11 11.588 10.065 2.136 566 HG22 ILE 11 2HG2 ILE 11 11.648 11.334 3.359 567 HG23 ILE 11 3HG2 ILE 11 10.102 10.612 2.911 568 HD11 ILE 11 3HD1 ILE 11 13.351 10.576 5.655 569 HD12 ILE 11 1HD1 ILE 11 13.597 10.970 3.954 570 HD13 ILE 11 2HD1 ILE 11 14.714 9.878 4.775 571 H LYS 12 H LYS 12 9.156 11.528 4.391 572 HA LYS 12 HA LYS 12 6.729 10.246 5.422 573 HB2 LYS 12 2HB LYS 12 6.921 12.599 5.938 574 HB3 LYS 12 1HB LYS 12 7.227 12.992 4.255 575 HG2 LYS 12 2HG LYS 12 4.961 13.583 4.931 576 HG3 LYS 12 1HG LYS 12 4.965 12.353 3.668 577 HD2 LYS 12 2HD LYS 12 4.455 10.631 5.243 578 HD3 LYS 12 1HD LYS 12 4.698 11.729 6.603 579 HE2 LYS 12 2HE LYS 12 2.594 12.150 4.494 580 HE3 LYS 12 1HE LYS 12 2.299 11.259 5.987 581 HZ1 LYS 12 3HZ LYS 12 3.372 14.014 6.013 582 HZ2 LYS 12 1HZ LYS 12 2.626 13.160 7.273 583 HZ3 LYS 12 2HZ LYS 12 1.709 13.712 5.955 584 H LEU 13 H LEU 13 5.445 9.148 4.164 585 HA LEU 13 HA LEU 13 5.638 9.469 1.253 586 HB2 LEU 13 2HB LEU 13 5.383 6.973 1.077 587 HB3 LEU 13 1HB LEU 13 6.935 7.527 1.673 588 HG LEU 13 HG LEU 13 4.807 6.724 3.627 589 HD11 LEU 13 1HD1 LEU 13 6.662 4.847 2.167 590 HD12 LEU 13 2HD1 LEU 13 4.902 4.876 2.057 591 HD13 LEU 13 3HD1 LEU 13 5.682 4.430 3.573 592 HD21 LEU 13 3HD2 LEU 13 6.782 6.090 4.958 593 HD22 LEU 13 1HD2 LEU 13 6.816 7.794 4.494 594 HD23 LEU 13 2HD2 LEU 13 7.827 6.624 3.641 595 H GLY 14 H GLY 14 3.762 9.308 0.154 596 HA2 GLY 14 2HA GLY 14 1.351 9.142 1.823 597 HA3 GLY 14 1HA GLY 14 1.474 9.970 0.277 598 H VAL 15 H VAL 15 0.254 7.309 1.770 599 HA VAL 15 HA VAL 15 0.258 5.755 -0.729 600 HB VAL 15 HB VAL 15 -0.533 4.811 2.048 601 HG11 VAL 15 1HG1 VAL 15 -1.764 3.653 0.289 602 HG12 VAL 15 2HG1 VAL 15 -0.601 2.581 1.069 603 HG13 VAL 15 3HG1 VAL 15 -0.247 3.260 -0.520 604 HG21 VAL 15 3HG2 VAL 15 1.933 4.208 0.426 605 HG22 VAL 15 1HG2 VAL 15 1.516 3.491 1.982 606 HG23 VAL 15 2HG2 VAL 15 1.862 5.218 1.872 607 H TYR 16 H TYR 16 -1.677 5.313 -1.762 608 HA TYR 16 HA TYR 16 -4.020 6.769 -0.725 609 HB2 TYR 16 2HB TYR 16 -2.703 7.376 -2.996 610 HB3 TYR 16 1HB TYR 16 -3.794 6.145 -3.617 611 HD1 TYR 16 1HD TYR 16 -5.445 7.713 -0.967 612 HD2 TYR 16 2HD TYR 16 -4.305 8.358 -5.013 613 HE1 TYR 16 1HE TYR 16 -7.199 9.400 -1.181 614 HE2 TYR 16 2HE TYR 16 -6.071 10.054 -5.241 615 HH TYR 16 HH TYR 16 -7.720 11.352 -2.553 616 H ILE 17 H ILE 17 -5.784 5.527 -0.292 617 HA ILE 17 HA ILE 17 -6.133 3.026 -1.776 618 HB ILE 17 HB ILE 17 -6.602 1.722 0.253 619 HG12 ILE 17 2HG1 ILE 17 -5.502 4.108 1.747 620 HG13 ILE 17 1HG1 ILE 17 -7.186 3.590 1.751 621 HG21 ILE 17 1HG2 ILE 17 -3.846 2.936 0.184 622 HG22 ILE 17 2HG2 ILE 17 -4.406 1.551 -0.752 623 HG23 ILE 17 3HG2 ILE 17 -4.279 1.436 1.003 624 HD11 ILE 17 3HD1 ILE 17 -6.009 2.879 3.768 625 HD12 ILE 17 1HD1 ILE 17 -4.857 1.982 2.775 626 HD13 ILE 17 2HD1 ILE 17 -6.553 1.500 2.813 627 HA PRO 18 HA PRO 18 -10.418 3.905 -2.044 628 HB2 PRO 18 2HB PRO 18 -10.868 1.179 -0.923 629 HB3 PRO 18 1HB PRO 18 -11.534 1.921 -2.383 630 HG2 PRO 18 2HG PRO 18 -9.578 0.138 -2.566 631 HG3 PRO 18 1HG PRO 18 -9.585 1.575 -3.605 632 HD2 PRO 18 2HD PRO 18 -7.930 0.986 -1.195 633 HD3 PRO 18 1HD PRO 18 -7.497 1.862 -2.677 634 H GLN 19 H GLN 19 -12.173 4.526 -0.883 635 HA GLN 19 HA GLN 19 -11.756 5.371 1.743 636 HB2 GLN 19 2HB GLN 19 -14.103 6.054 1.733 637 HB3 GLN 19 1HB GLN 19 -13.320 6.473 0.216 638 HG2 GLN 19 2HG GLN 19 -14.345 4.540 -0.858 639 HG3 GLN 19 1HG GLN 19 -15.103 4.093 0.667 640 HE21 GLN 19 1HE2 GLN 19 -16.850 5.262 1.416 641 HE22 GLN 19 2HE2 GLN 19 -17.714 6.387 0.420 642 H GLU 20 H GLU 20 -13.666 2.635 0.534 643 HA GLU 20 HA GLU 20 -14.740 1.824 2.988 644 HB2 GLU 20 2HB GLU 20 -14.048 0.123 0.591 645 HB3 GLU 20 1HB GLU 20 -15.109 -0.353 1.910 646 HG2 GLU 20 2HG GLU 20 -15.557 1.857 -0.072 647 HG3 GLU 20 1HG GLU 20 -16.438 0.335 0.053 648 H TRP 21 H TRP 21 -11.623 1.304 1.573 649 HA TRP 21 HA TRP 21 -10.912 -0.831 3.382 650 HB2 TRP 21 2HB TRP 21 -10.109 -0.548 0.968 651 HB3 TRP 21 1HB TRP 21 -9.080 0.747 1.571 652 HD1 TRP 21 HD TRP 21 -9.276 -2.067 4.011 653 HE1 TRP 21 1HE TRP 21 -7.124 -3.474 3.887 654 HE3 TRP 21 3HE TRP 21 -7.301 -0.144 -0.284 655 HZ2 TRP 21 2HZ TRP 21 -4.892 -3.737 2.180 656 HZ3 TRP 21 3HZ TRP 21 -5.157 -1.023 -1.096 657 HH2 TRP 21 HH TRP 21 -3.974 -2.773 0.112 658 H HIS 22 H HIS 22 -10.234 2.587 2.899 659 HA HIS 22 HA HIS 22 -8.512 3.082 5.033 660 HB2 HIS 22 2HB HIS 22 -8.990 4.797 3.399 661 HB3 HIS 22 1HB HIS 22 -10.703 4.778 3.806 662 HD1 HIS 22 1HD HIS 22 -11.477 6.277 5.676 663 HD2 HIS 22 2HD HIS 22 -7.328 6.068 5.363 664 HE1 HIS 22 1HE HIS 22 -10.586 8.086 7.178 665 HE2 HIS 22 2HE HIS 22 -8.080 8.011 6.901 666 H ASP 23 H ASP 23 -12.044 2.995 4.917 667 HA ASP 23 HA ASP 23 -12.600 3.749 7.549 668 HB2 ASP 23 2HB ASP 23 -14.299 3.671 5.801 669 HB3 ASP 23 1HB ASP 23 -14.140 1.922 5.691 670 H ARG 24 H ARG 24 -12.253 0.462 6.187 671 HA ARG 24 HA ARG 24 -12.784 -0.762 8.721 672 HB2 ARG 24 2HB ARG 24 -11.945 -1.787 6.038 673 HB3 ARG 24 1HB ARG 24 -11.810 -2.835 7.439 674 HG2 ARG 24 2HG ARG 24 -13.887 -3.223 6.234 675 HG3 ARG 24 1HG ARG 24 -14.199 -2.613 7.859 676 HD2 ARG 24 2HD ARG 24 -14.736 -0.460 7.044 677 HD3 ARG 24 1HD ARG 24 -14.097 -0.831 5.443 678 HE ARG 24 HE ARG 24 -16.288 -2.520 6.247 679 HH11 ARG 24 1HH1 ARG 24 -15.447 0.549 4.796 680 HH12 ARG 24 2HH1 ARG 24 -16.879 0.620 3.808 681 HH21 ARG 24 1HH2 ARG 24 -18.173 -2.413 4.999 682 HH22 ARG 24 2HH2 ARG 24 -18.434 -1.059 3.936 683 H LEU 25 H LEU 25 -9.896 0.165 6.976 684 HA LEU 25 HA LEU 25 -8.027 -1.304 8.472 685 HB2 LEU 25 2HB LEU 25 -7.944 1.079 6.725 686 HB3 LEU 25 1HB LEU 25 -6.605 0.900 7.843 687 HG LEU 25 HG LEU 25 -7.464 -1.035 5.688 688 HD11 LEU 25 1HD1 LEU 25 -5.232 -0.603 4.804 689 HD12 LEU 25 2HD1 LEU 25 -4.939 0.548 6.107 690 HD13 LEU 25 3HD1 LEU 25 -6.188 0.874 4.906 691 HD21 LEU 25 3HD2 LEU 25 -5.288 -1.360 7.753 692 HD22 LEU 25 1HD2 LEU 25 -5.598 -2.440 6.395 693 HD23 LEU 25 2HD2 LEU 25 -6.792 -2.278 7.684 694 H MET 26 H MET 26 -9.174 2.037 8.878 695 HA MET 26 HA MET 26 -7.630 2.470 11.205 696 HB2 MET 26 2HB MET 26 -9.981 3.953 10.059 697 HB3 MET 26 1HB MET 26 -9.134 4.476 11.511 698 HG2 MET 26 2HG MET 26 -7.048 4.598 10.228 699 HG3 MET 26 1HG MET 26 -7.928 4.132 8.772 700 HE1 MET 26 3HE MET 26 -8.669 8.060 11.090 701 HE2 MET 26 1HE MET 26 -7.453 6.867 11.552 702 HE3 MET 26 2HE MET 26 -9.169 6.477 11.680 703 H GLU 27 H GLU 27 -10.790 1.076 10.723 704 HA GLU 27 HA GLU 27 -11.586 1.206 13.435 705 HB2 GLU 27 2HB GLU 27 -13.146 0.690 11.600 706 HB3 GLU 27 1HB GLU 27 -12.322 -0.840 11.338 707 HG2 GLU 27 2HG GLU 27 -13.153 -1.773 13.279 708 HG3 GLU 27 1HG GLU 27 -13.479 -0.202 14.011 709 H ILE 28 H ILE 28 -9.808 -1.221 11.563 710 HA ILE 28 HA ILE 28 -9.271 -2.968 13.736 711 HB ILE 28 HB ILE 28 -7.637 -2.493 11.231 712 HG12 ILE 28 2HG1 ILE 28 -9.735 -4.597 11.814 713 HG13 ILE 28 1HG1 ILE 28 -9.976 -3.183 10.792 714 HG21 ILE 28 1HG2 ILE 28 -6.331 -3.605 12.955 715 HG22 ILE 28 2HG2 ILE 28 -6.710 -4.727 11.646 716 HG23 ILE 28 3HG2 ILE 28 -7.605 -4.807 13.164 717 HD11 ILE 28 3HD1 ILE 28 -9.577 -5.153 9.447 718 HD12 ILE 28 1HD1 ILE 28 -8.050 -5.440 10.282 719 HD13 ILE 28 2HD1 ILE 28 -8.244 -4.012 9.266 720 H ALA 29 H ALA 29 -7.790 -0.073 12.492 721 HA ALA 29 HA ALA 29 -5.422 -0.082 14.016 722 HB1 ALA 29 1HB ALA 29 -5.764 1.347 12.057 723 HB2 ALA 29 2HB ALA 29 -5.278 2.280 13.472 724 HB3 ALA 29 3HB ALA 29 -6.962 2.282 12.953 725 H LYS 30 H LYS 30 -8.705 0.608 14.865 726 HA LYS 30 HA LYS 30 -8.094 2.005 17.303 727 HB2 LYS 30 2HB LYS 30 -10.572 0.505 16.434 728 HB3 LYS 30 1HB LYS 30 -10.456 1.466 17.900 729 HG2 LYS 30 2HG LYS 30 -10.226 3.485 16.655 730 HG3 LYS 30 1HG LYS 30 -10.067 2.594 15.138 731 HD2 LYS 30 2HD LYS 30 -12.319 1.934 15.161 732 HD3 LYS 30 1HD LYS 30 -12.508 2.343 16.866 733 HE2 LYS 30 2HE LYS 30 -11.980 4.358 14.690 734 HE3 LYS 30 1HE LYS 30 -13.587 3.947 15.290 735 HZ1 LYS 30 3HZ LYS 30 -11.362 5.179 16.824 736 HZ2 LYS 30 1HZ LYS 30 -12.800 4.615 17.532 737 HZ3 LYS 30 2HZ LYS 30 -12.847 5.890 16.412 738 H GLU 31 H GLU 31 -8.989 -1.259 16.382 739 HA GLU 31 HA GLU 31 -8.980 -2.441 18.893 740 HB2 GLU 31 2HB GLU 31 -9.920 -3.655 17.105 741 HB3 GLU 31 1HB GLU 31 -8.469 -3.509 16.129 742 HG2 GLU 31 2HG GLU 31 -8.815 -5.776 16.976 743 HG3 GLU 31 1HG GLU 31 -7.306 -5.071 17.543 744 H LYS 32 H LYS 32 -6.295 -1.897 16.646 745 HA LYS 32 HA LYS 32 -4.470 -3.225 18.497 746 HB2 LYS 32 2HB LYS 32 -4.467 -2.667 15.629 747 HB3 LYS 32 1HB LYS 32 -2.916 -2.369 16.400 748 HG2 LYS 32 2HG LYS 32 -3.064 -4.634 15.512 749 HG3 LYS 32 1HG LYS 32 -2.882 -4.637 17.266 750 HD2 LYS 32 2HD LYS 32 -5.327 -4.959 17.477 751 HD3 LYS 32 1HD LYS 32 -5.441 -5.053 15.719 752 HE2 LYS 32 2HE LYS 32 -3.983 -7.002 15.718 753 HE3 LYS 32 1HE LYS 32 -3.819 -6.896 17.470 754 HZ1 LYS 32 3HZ LYS 32 -6.330 -7.422 15.974 755 HZ2 LYS 32 1HZ LYS 32 -6.209 -7.267 17.657 756 HZ3 LYS 32 2HZ LYS 32 -5.442 -8.558 16.873 757 H ASN 33 H ASN 33 -5.636 -0.177 18.115 758 HA ASN 33 HA ASN 33 -5.031 1.896 18.816 759 HB2 ASN 33 2HB ASN 33 -2.998 0.353 20.445 760 HB3 ASN 33 1HB ASN 33 -3.378 2.059 20.668 761 HD21 ASN 33 1HD2 ASN 33 -4.425 -1.192 21.124 762 HD22 ASN 33 2HD2 ASN 33 -5.790 -0.846 22.135 763 H LEU 34 H LEU 34 -4.126 1.280 16.401 764 HA LEU 34 HA LEU 34 -1.428 2.449 16.237 765 HB2 LEU 34 2HB LEU 34 -2.552 0.160 14.614 766 HB3 LEU 34 1HB LEU 34 -1.059 1.001 14.229 767 HG LEU 34 HG LEU 34 -1.574 -0.590 16.742 768 HD11 LEU 34 1HD1 LEU 34 0.063 -2.158 15.780 769 HD12 LEU 34 2HD1 LEU 34 0.064 -1.212 14.290 770 HD13 LEU 34 3HD1 LEU 34 -1.406 -2.035 14.814 771 HD21 LEU 34 3HD2 LEU 34 0.817 -0.294 17.156 772 HD22 LEU 34 1HD2 LEU 34 -0.023 1.256 17.115 773 HD23 LEU 34 2HD2 LEU 34 0.938 0.737 15.730 774 H THR 35 H THR 35 -1.041 3.314 13.935 775 HA THR 35 HA THR 35 -3.542 4.501 12.943 776 HB THR 35 HB THR 35 -2.145 6.076 11.687 777 HG1 THR 35 1HG THR 35 0.084 4.730 12.892 778 HG21 THR 35 3HG2 THR 35 -1.256 5.877 14.566 779 HG22 THR 35 1HG2 THR 35 -2.728 6.663 13.995 780 HG23 THR 35 2HG2 THR 35 -1.151 7.310 13.546 781 H LEU 36 H LEU 36 -3.985 4.409 10.640 782 HA LEU 36 HA LEU 36 -3.568 1.840 9.579 783 HB2 LEU 36 2HB LEU 36 -4.735 2.515 7.658 784 HB3 LEU 36 1HB LEU 36 -5.444 3.422 8.977 785 HG LEU 36 HG LEU 36 -3.383 4.582 7.106 786 HD11 LEU 36 1HD1 LEU 36 -6.390 4.771 6.969 787 HD12 LEU 36 2HD1 LEU 36 -5.356 3.893 5.842 788 HD13 LEU 36 3HD1 LEU 36 -5.248 5.651 5.951 789 HD21 LEU 36 3HD2 LEU 36 -5.359 5.882 8.978 790 HD22 LEU 36 1HD2 LEU 36 -4.217 6.714 7.924 791 HD23 LEU 36 2HD2 LEU 36 -3.624 5.727 9.258 792 H SER 37 H SER 37 -1.787 4.796 9.246 793 HA SER 37 HA SER 37 -0.063 4.191 7.154 794 HB2 SER 37 2HB SER 37 0.643 5.624 9.728 795 HB3 SER 37 1HB SER 37 1.436 5.810 8.163 796 HG SER 37 HG SER 37 0.063 7.424 8.034 797 H ASP 38 H ASP 38 0.153 3.372 10.604 798 HA ASP 38 HA ASP 38 2.648 2.060 10.475 799 HB2 ASP 38 2HB ASP 38 0.368 1.762 12.440 800 HB3 ASP 38 1HB ASP 38 1.927 0.970 12.630 801 H VAL 39 H VAL 39 -0.652 0.985 9.978 802 HA VAL 39 HA VAL 39 -0.184 -1.787 10.135 803 HB VAL 39 HB VAL 39 -2.307 -0.412 8.480 804 HG11 VAL 39 1HG1 VAL 39 -2.027 -2.787 7.978 805 HG12 VAL 39 2HG1 VAL 39 -3.563 -2.480 8.790 806 HG13 VAL 39 3HG1 VAL 39 -2.214 -3.173 9.689 807 HG21 VAL 39 3HG2 VAL 39 -2.383 0.403 10.765 808 HG22 VAL 39 1HG2 VAL 39 -2.361 -1.253 11.377 809 HG23 VAL 39 2HG2 VAL 39 -3.748 -0.672 10.456 810 H CYS 40 H CYS 40 -0.156 0.425 7.342 811 HA CYS 40 HA CYS 40 0.252 -1.622 5.426 812 HB2 CYS 40 2HB CYS 40 1.152 1.222 5.008 813 HB3 CYS 40 1HB CYS 40 0.504 0.080 3.839 814 HG CYS 40 HG CYS 40 -1.362 1.497 6.341 815 H ARG 41 H ARG 41 2.541 0.721 6.822 816 HA ARG 41 HA ARG 41 4.923 -0.283 5.974 817 HB2 ARG 41 2HB ARG 41 5.136 1.679 7.121 818 HB3 ARG 41 1HB ARG 41 3.970 1.221 8.347 819 HG2 ARG 41 2HG ARG 41 6.504 -0.269 8.411 820 HG3 ARG 41 1HG ARG 41 6.618 1.458 8.769 821 HD2 ARG 41 2HD ARG 41 4.773 1.157 10.423 822 HD3 ARG 41 1HD ARG 41 4.871 -0.583 10.139 823 HE ARG 41 HE ARG 41 7.418 0.081 10.792 824 HH11 ARG 41 1HH1 ARG 41 4.343 0.765 12.326 825 HH12 ARG 41 2HH1 ARG 41 4.977 0.698 13.940 826 HH21 ARG 41 1HH2 ARG 41 8.267 0.002 12.909 827 HH22 ARG 41 2HH2 ARG 41 7.225 0.273 14.272 828 H LEU 42 H LEU 42 3.123 -1.396 8.874 829 HA LEU 42 HA LEU 42 5.037 -3.366 9.594 830 HB2 LEU 42 2HB LEU 42 2.094 -3.115 10.210 831 HB3 LEU 42 1HB LEU 42 3.112 -4.373 10.885 832 HG LEU 42 HG LEU 42 3.551 -1.413 11.294 833 HD11 LEU 42 1HD1 LEU 42 2.342 -3.480 13.130 834 HD12 LEU 42 2HD1 LEU 42 1.488 -2.140 12.364 835 HD13 LEU 42 3HD1 LEU 42 2.733 -1.819 13.571 836 HD21 LEU 42 3HD2 LEU 42 4.811 -3.829 12.600 837 HD22 LEU 42 1HD2 LEU 42 5.110 -2.146 13.034 838 HD23 LEU 42 2HD2 LEU 42 5.596 -2.748 11.448 839 H ALA 43 H ALA 43 2.423 -3.262 7.349 840 HA ALA 43 HA ALA 43 2.191 -6.067 6.978 841 HB1 ALA 43 1HB ALA 43 0.369 -4.507 6.484 842 HB2 ALA 43 2HB ALA 43 0.786 -5.504 5.090 843 HB3 ALA 43 3HB ALA 43 1.322 -3.825 5.168 844 H ILE 44 H ILE 44 4.252 -3.577 5.619 845 HA ILE 44 HA ILE 44 5.167 -5.126 3.407 846 HB ILE 44 HB ILE 44 6.554 -2.850 4.848 847 HG12 ILE 44 2HG1 ILE 44 4.830 -2.984 2.371 848 HG13 ILE 44 1HG1 ILE 44 4.584 -2.009 3.816 849 HG21 ILE 44 1HG2 ILE 44 7.250 -4.145 2.211 850 HG22 ILE 44 2HG2 ILE 44 8.170 -4.286 3.708 851 HG23 ILE 44 3HG2 ILE 44 8.031 -2.723 2.903 852 HD11 ILE 44 3HD1 ILE 44 6.782 -1.614 1.798 853 HD12 ILE 44 1HD1 ILE 44 6.515 -0.641 3.242 854 HD13 ILE 44 2HD1 ILE 44 5.319 -0.641 1.949 855 H LYS 45 H LYS 45 6.217 -4.622 6.723 856 HA LYS 45 HA LYS 45 8.483 -6.242 6.722 857 HB2 LYS 45 2HB LYS 45 7.986 -4.827 8.605 858 HB3 LYS 45 1HB LYS 45 6.475 -5.673 8.901 859 HG2 LYS 45 2HG LYS 45 7.683 -7.671 9.538 860 HG3 LYS 45 1HG LYS 45 9.220 -6.882 9.175 861 HD2 LYS 45 2HD LYS 45 7.254 -5.848 11.211 862 HD3 LYS 45 1HD LYS 45 8.579 -6.941 11.607 863 HE2 LYS 45 2HE LYS 45 8.876 -4.216 10.347 864 HE3 LYS 45 1HE LYS 45 9.141 -4.589 12.051 865 HZ1 LYS 45 3HZ LYS 45 11.250 -4.606 11.036 866 HZ2 LYS 45 1HZ LYS 45 10.711 -5.527 9.715 867 HZ3 LYS 45 2HZ LYS 45 10.844 -6.240 11.248 868 H GLU 46 H GLU 46 5.085 -7.047 7.131 869 HA GLU 46 HA GLU 46 5.467 -9.813 7.668 870 HB2 GLU 46 2HB GLU 46 3.394 -8.478 8.197 871 HB3 GLU 46 1HB GLU 46 3.038 -8.461 6.475 872 HG2 GLU 46 2HG GLU 46 1.736 -10.174 7.503 873 HG3 GLU 46 1HG GLU 46 2.981 -10.938 6.516 874 H TYR 47 H TYR 47 4.906 -7.861 4.842 875 HA TYR 47 HA TYR 47 4.444 -9.860 2.964 876 HB2 TYR 47 2HB TYR 47 4.010 -7.424 2.651 877 HB3 TYR 47 1HB TYR 47 5.743 -7.158 2.532 878 HD1 TYR 47 2HD TYR 47 6.971 -7.840 0.535 879 HD2 TYR 47 1HD TYR 47 2.769 -8.409 0.833 880 HE1 TYR 47 2HE TYR 47 6.853 -8.202 -1.894 881 HE2 TYR 47 1HE TYR 47 2.636 -8.770 -1.591 882 HH TYR 47 HH TYR 47 3.845 -8.333 -3.585 883 H LEU 48 H LEU 48 7.439 -8.253 3.935 884 HA LEU 48 HA LEU 48 9.139 -9.559 2.108 885 HB2 LEU 48 2HB LEU 48 9.797 -8.431 4.833 886 HB3 LEU 48 1HB LEU 48 10.963 -8.834 3.589 887 HG LEU 48 HG LEU 48 8.857 -6.683 3.372 888 HD11 LEU 48 1HD1 LEU 48 11.835 -6.501 3.787 889 HD12 LEU 48 2HD1 LEU 48 10.589 -6.097 4.967 890 HD13 LEU 48 3HD1 LEU 48 10.754 -5.139 3.496 891 HD21 LEU 48 3HD2 LEU 48 10.075 -6.043 1.332 892 HD22 LEU 48 1HD2 LEU 48 9.369 -7.655 1.208 893 HD23 LEU 48 2HD2 LEU 48 11.097 -7.470 1.511 894 H ASP 49 H ASP 49 8.109 -10.360 5.382 895 HA ASP 49 HA ASP 49 9.917 -12.448 5.847 896 HB2 ASP 49 2HB ASP 49 8.640 -11.420 7.646 897 HB3 ASP 49 1HB ASP 49 7.140 -12.058 6.973 898 H ASN 50 H ASN 50 6.528 -12.637 4.688 899 HA ASN 50 HA ASN 50 6.736 -15.499 4.528 900 HB2 ASN 50 2HB ASN 50 4.438 -15.521 3.806 901 HB3 ASN 50 1HB ASN 50 4.607 -14.401 5.150 902 HD21 ASN 50 1HD2 ASN 50 4.218 -12.256 4.842 903 HD22 ASN 50 2HD2 ASN 50 3.547 -11.615 3.389 904 H HIS 51 H HIS 51 7.378 -12.925 2.351 905 HA HIS 51 HA HIS 51 7.098 -14.614 -0.004 906 HB2 HIS 51 2HB HIS 51 7.810 -11.740 0.443 907 HB3 HIS 51 1HB HIS 51 8.269 -12.509 -1.072 908 HD1 HIS 51 1HD HIS 51 6.540 -12.605 -2.846 909 HD2 HIS 51 2HD HIS 51 4.903 -11.822 0.899 910 HE1 HIS 51 1HE HIS 51 4.104 -12.112 -3.256 911 HE2 HIS 51 2HE HIS 51 3.109 -11.723 -0.972 912 H ASP 52 H ASP 52 9.489 -13.790 2.288 913 HA ASP 52 HA ASP 52 11.666 -14.776 0.612 914 HB2 ASP 52 2HB ASP 52 12.155 -12.846 2.012 915 HB3 ASP 52 1HB ASP 52 11.610 -13.706 3.445 916 H LYS 53 H LYS 53 9.452 -15.796 3.027 917 HA LYS 53 HA LYS 53 10.925 -18.201 3.703 918 HB2 LYS 53 2HB LYS 53 9.655 -17.110 5.466 919 HB3 LYS 53 1HB LYS 53 8.185 -17.208 4.511 920 HG2 LYS 53 2HG LYS 53 8.058 -18.887 6.169 921 HG3 LYS 53 1HG LYS 53 8.370 -19.701 4.636 922 HD2 LYS 53 2HD LYS 53 9.740 -20.699 6.345 923 HD3 LYS 53 1HD LYS 53 10.780 -19.799 5.243 924 HE2 LYS 53 2HE LYS 53 10.901 -17.956 6.817 925 HE3 LYS 53 1HE LYS 53 9.776 -18.777 7.899 926 HZ1 LYS 53 3HZ LYS 53 11.419 -20.578 8.113 927 HZ2 LYS 53 1HZ LYS 53 12.019 -19.093 8.670 928 HZ3 LYS 53 2HZ LYS 53 12.508 -19.690 7.160 929 H GLN 54 H GLN 54 7.657 -17.539 2.407 930 HA GLN 54 HA GLN 54 6.228 -18.754 1.145 931 HB2 GLN 54 2HB GLN 54 8.852 -19.496 -0.112 932 HB3 GLN 54 1HB GLN 54 7.338 -20.172 -0.701 933 HG2 GLN 54 2HG GLN 54 6.498 -17.906 -1.102 934 HG3 GLN 54 1HG GLN 54 8.041 -17.248 -0.553 935 HE21 GLN 54 1HE2 GLN 54 9.819 -17.383 -1.884 936 HE22 GLN 54 2HE2 GLN 54 9.717 -17.860 -3.548 937 H LYS 55 H LYS 55 5.175 -20.104 2.450 938 HA LYS 55 HA LYS 55 6.477 -22.385 3.631 939 HB2 LYS 55 2HB LYS 55 4.495 -22.675 4.912 940 HB3 LYS 55 1HB LYS 55 4.806 -20.949 4.831 941 HG2 LYS 55 2HG LYS 55 3.079 -20.668 3.165 942 HG3 LYS 55 1HG LYS 55 2.820 -22.414 3.103 943 HD2 LYS 55 2HD LYS 55 2.277 -22.296 5.564 944 HD3 LYS 55 1HD LYS 55 2.264 -20.541 5.391 945 HE2 LYS 55 2HE LYS 55 0.529 -22.452 3.835 946 HE3 LYS 55 1HE LYS 55 0.012 -21.551 5.257 947 HZ1 LYS 55 3HZ LYS 55 -0.721 -20.408 3.325 948 HZ2 LYS 55 1HZ LYS 55 0.817 -20.438 2.623 949 HZ3 LYS 55 2HZ LYS 55 0.528 -19.489 3.999 950 H LYS 56 H LYS 56 5.567 -22.070 0.624 951 HA LYS 56 HA LYS 56 4.622 -24.831 0.444 952 HB2 LYS 56 2HB LYS 56 3.058 -24.275 -1.336 953 HB3 LYS 56 1HB LYS 56 2.667 -23.369 0.117 954 HG2 LYS 56 2HG LYS 56 3.693 -21.380 -0.825 955 HG3 LYS 56 1HG LYS 56 4.149 -22.285 -2.269 956 HD2 LYS 56 2HD LYS 56 1.681 -22.786 -2.563 957 HD3 LYS 56 1HD LYS 56 1.384 -21.571 -1.319 958 HE2 LYS 56 2HE LYS 56 1.172 -20.591 -3.536 959 HE3 LYS 56 1HE LYS 56 2.551 -19.899 -2.680 960 HZ1 LYS 56 3HZ LYS 56 3.065 -20.438 -5.001 961 HZ2 LYS 56 1HZ LYS 56 2.725 -22.073 -4.700 962 HZ3 LYS 56 2HZ LYS 56 4.030 -21.319 -3.925 Start of MODEL 19 1 H1 GLY 2 1HT GLY 2 -20.307 20.283 -5.053 2 H2 GLY 2 2HT GLY 2 -20.555 20.138 -6.724 3 H3 GLY 2 3HT GLY 2 -19.118 20.818 -6.142 4 HA2 GLY 2 1HA GLY 2 -19.998 17.998 -5.873 5 HA3 GLY 2 2HA GLY 2 -18.680 18.593 -6.870 6 H ARG 3 H ARG 3 -16.984 17.573 -5.967 7 HA ARG 3 HA ARG 3 -15.380 16.970 -4.482 8 HB2 ARG 3 2HB ARG 3 -15.023 19.373 -4.255 9 HB3 ARG 3 1HB ARG 3 -16.305 19.478 -3.059 10 HG2 ARG 3 2HG ARG 3 -14.098 19.565 -2.031 11 HG3 ARG 3 1HG ARG 3 -15.002 18.144 -1.506 12 HD2 ARG 3 2HD ARG 3 -12.713 17.527 -1.950 13 HD3 ARG 3 1HD ARG 3 -13.765 16.788 -3.157 14 HE ARG 3 HE ARG 3 -12.867 19.210 -4.209 15 HH11 ARG 3 1HH1 ARG 3 -11.509 16.124 -3.223 16 HH12 ARG 3 2HH1 ARG 3 -10.203 16.188 -4.359 17 HH21 ARG 3 1HH2 ARG 3 -11.127 19.313 -5.675 18 HH22 ARG 3 2HH2 ARG 3 -9.971 18.010 -5.744 19 HA PRO 4 HA PRO 4 -18.571 14.857 -1.878 20 HB2 PRO 4 2HB PRO 4 -17.010 12.492 -2.666 21 HB3 PRO 4 1HB PRO 4 -18.741 12.798 -2.832 22 HG2 PRO 4 2HG PRO 4 -17.108 12.752 -4.962 23 HG3 PRO 4 1HG PRO 4 -18.496 13.854 -4.871 24 HD2 PRO 4 2HD PRO 4 -15.593 14.416 -4.387 25 HD3 PRO 4 1HD PRO 4 -16.796 15.386 -5.266 26 H TYR 5 H TYR 5 -18.231 13.391 -0.020 27 HA TYR 5 HA TYR 5 -15.935 14.302 1.486 28 HB2 TYR 5 2HB TYR 5 -18.239 12.496 2.239 29 HB3 TYR 5 1HB TYR 5 -16.994 13.038 3.360 30 HD1 TYR 5 1HD TYR 5 -16.839 15.451 3.951 31 HD2 TYR 5 2HD TYR 5 -20.057 13.906 1.635 32 HE1 TYR 5 1HE TYR 5 -18.160 17.463 4.452 33 HE2 TYR 5 2HE TYR 5 -21.385 15.913 2.132 34 HH TYR 5 HH TYR 5 -20.028 18.712 3.557 35 H LYS 6 H LYS 6 -16.688 11.681 -0.467 36 HA LYS 6 HA LYS 6 -14.757 9.868 0.731 37 HB2 LYS 6 2HB LYS 6 -15.361 8.366 -1.107 38 HB3 LYS 6 1HB LYS 6 -16.806 8.960 -0.299 39 HG2 LYS 6 2HG LYS 6 -17.377 10.359 -2.076 40 HG3 LYS 6 1HG LYS 6 -15.754 10.307 -2.765 41 HD2 LYS 6 2HD LYS 6 -16.098 7.919 -3.300 42 HD3 LYS 6 1HD LYS 6 -17.747 8.042 -2.682 43 HE2 LYS 6 2HE LYS 6 -16.715 9.817 -4.876 44 HE3 LYS 6 1HE LYS 6 -17.430 8.238 -5.201 45 HZ1 LYS 6 3HZ LYS 6 -18.875 10.235 -3.581 46 HZ2 LYS 6 1HZ LYS 6 -19.492 8.927 -4.462 47 HZ3 LYS 6 2HZ LYS 6 -18.924 10.303 -5.277 48 H LEU 7 H LEU 7 -14.500 12.604 -0.909 49 HA LEU 7 HA LEU 7 -13.138 13.600 -2.404 50 HB2 LEU 7 2HB LEU 7 -11.289 11.301 -1.748 51 HB3 LEU 7 1HB LEU 7 -10.826 12.753 -2.614 52 HG LEU 7 HG LEU 7 -11.767 12.644 0.255 53 HD11 LEU 7 1HD1 LEU 7 -9.033 13.182 -0.896 54 HD12 LEU 7 2HD1 LEU 7 -9.531 11.699 -0.082 55 HD13 LEU 7 3HD1 LEU 7 -9.474 13.218 0.811 56 HD21 LEU 7 3HD2 LEU 7 -10.769 14.960 -1.402 57 HD22 LEU 7 1HD2 LEU 7 -11.100 15.003 0.330 58 HD23 LEU 7 2HD2 LEU 7 -12.416 14.732 -0.813 59 H LEU 8 H LEU 8 -11.766 10.528 -3.298 60 HA LEU 8 HA LEU 8 -13.638 10.191 -5.494 61 HB2 LEU 8 2HB LEU 8 -10.698 10.699 -5.870 62 HB3 LEU 8 1HB LEU 8 -11.625 9.788 -7.047 63 HG LEU 8 HG LEU 8 -12.173 12.646 -6.225 64 HD11 LEU 8 1HD1 LEU 8 -10.144 12.463 -7.540 65 HD12 LEU 8 2HD1 LEU 8 -11.433 13.184 -8.504 66 HD13 LEU 8 3HD1 LEU 8 -10.988 11.494 -8.746 67 HD21 LEU 8 3HD2 LEU 8 -13.464 10.905 -8.324 68 HD22 LEU 8 1HD2 LEU 8 -13.772 12.625 -8.086 69 HD23 LEU 8 2HD2 LEU 8 -14.213 11.468 -6.831 70 H ASN 9 H ASN 9 -13.818 8.637 -3.516 71 HA ASN 9 HA ASN 9 -13.962 6.458 -2.915 72 HB2 ASN 9 2HB ASN 9 -12.601 6.038 -5.573 73 HB3 ASN 9 1HB ASN 9 -13.036 4.706 -4.511 74 HD21 ASN 9 1HD2 ASN 9 -14.413 3.860 -6.051 75 HD22 ASN 9 2HD2 ASN 9 -15.945 4.571 -6.419 76 H GLY 10 H GLY 10 -11.582 8.223 -2.353 77 HA2 GLY 10 2HA GLY 10 -9.988 6.254 -1.004 78 HA3 GLY 10 1HA GLY 10 -9.157 6.967 -2.380 79 H ILE 11 H ILE 11 -8.397 7.161 0.360 80 HA ILE 11 HA ILE 11 -8.625 10.075 0.757 81 HB ILE 11 HB ILE 11 -8.536 8.055 3.012 82 HG12 ILE 11 2HG1 ILE 11 -10.685 7.928 1.775 83 HG13 ILE 11 1HG1 ILE 11 -10.877 8.504 3.427 84 HG21 ILE 11 1HG2 ILE 11 -9.093 9.963 4.433 85 HG22 ILE 11 2HG2 ILE 11 -9.055 11.024 3.026 86 HG23 ILE 11 3HG2 ILE 11 -7.579 10.224 3.566 87 HD11 ILE 11 3HD1 ILE 11 -12.281 9.750 1.890 88 HD12 ILE 11 1HD1 ILE 11 -10.865 10.203 0.942 89 HD13 ILE 11 2HD1 ILE 11 -11.044 10.799 2.590 90 H LYS 12 H LYS 12 -6.751 11.018 1.843 91 HA LYS 12 HA LYS 12 -4.323 9.607 0.989 92 HB2 LYS 12 2HB LYS 12 -4.835 11.763 -0.084 93 HB3 LYS 12 1HB LYS 12 -4.829 12.546 1.486 94 HG2 LYS 12 2HG LYS 12 -2.784 12.979 0.236 95 HG3 LYS 12 1HG LYS 12 -2.459 12.102 1.729 96 HD2 LYS 12 2HD LYS 12 -1.858 10.185 0.630 97 HD3 LYS 12 1HD LYS 12 -2.882 10.536 -0.763 98 HE2 LYS 12 2HE LYS 12 -0.371 10.695 -1.126 99 HE3 LYS 12 1HE LYS 12 -1.340 12.068 -1.653 100 HZ1 LYS 12 3HZ LYS 12 0.031 11.992 0.980 101 HZ2 LYS 12 1HZ LYS 12 -0.657 13.332 0.200 102 HZ3 LYS 12 2HZ LYS 12 0.755 12.620 -0.419 103 H LEU 13 H LEU 13 -2.743 9.094 2.366 104 HA LEU 13 HA LEU 13 -2.840 10.109 5.122 105 HB2 LEU 13 2HB LEU 13 -2.227 7.806 5.881 106 HB3 LEU 13 1HB LEU 13 -3.851 7.957 5.236 107 HG LEU 13 HG LEU 13 -1.698 7.061 3.378 108 HD11 LEU 13 1HD1 LEU 13 -1.303 5.729 5.392 109 HD12 LEU 13 2HD1 LEU 13 -1.971 4.748 4.088 110 HD13 LEU 13 3HD1 LEU 13 -3.005 5.267 5.420 111 HD21 LEU 13 3HD2 LEU 13 -3.975 7.447 2.558 112 HD22 LEU 13 1HD2 LEU 13 -4.599 6.303 3.749 113 HD23 LEU 13 2HD2 LEU 13 -3.541 5.740 2.456 114 H GLY 14 H GLY 14 -0.779 9.628 6.314 115 HA2 GLY 14 2HA GLY 14 1.527 9.665 4.475 116 HA3 GLY 14 1HA GLY 14 1.342 10.895 5.716 117 H VAL 15 H VAL 15 3.429 8.803 5.247 118 HA VAL 15 HA VAL 15 3.230 7.377 7.826 119 HB VAL 15 HB VAL 15 4.506 6.148 5.385 120 HG11 VAL 15 1HG1 VAL 15 3.410 4.923 7.910 121 HG12 VAL 15 2HG1 VAL 15 5.113 5.192 7.538 122 HG13 VAL 15 3HG1 VAL 15 4.171 4.051 6.579 123 HG21 VAL 15 3HG2 VAL 15 2.205 6.567 4.756 124 HG22 VAL 15 1HG2 VAL 15 1.637 5.803 6.242 125 HG23 VAL 15 2HG2 VAL 15 2.464 4.843 5.016 126 H TYR 16 H TYR 16 5.376 6.647 8.639 127 HA TYR 16 HA TYR 16 7.681 8.004 7.428 128 HB2 TYR 16 2HB TYR 16 6.769 8.135 10.242 129 HB3 TYR 16 1HB TYR 16 8.493 7.893 9.987 130 HD1 TYR 16 1HD TYR 16 9.748 9.532 8.584 131 HD2 TYR 16 2HD TYR 16 5.814 10.297 10.002 132 HE1 TYR 16 1HE TYR 16 10.088 11.922 8.189 133 HE2 TYR 16 2HE TYR 16 6.139 12.702 9.616 134 HH TYR 16 HH TYR 16 7.879 14.308 9.373 135 H ILE 17 H ILE 17 9.414 6.790 7.182 136 HA ILE 17 HA ILE 17 9.929 4.473 8.813 137 HB ILE 17 HB ILE 17 10.354 3.058 6.689 138 HG12 ILE 17 2HG1 ILE 17 8.269 4.979 5.638 139 HG13 ILE 17 1HG1 ILE 17 9.919 4.819 5.047 140 HG21 ILE 17 1HG2 ILE 17 7.549 3.554 7.668 141 HG22 ILE 17 2HG2 ILE 17 8.735 2.469 8.393 142 HG23 ILE 17 3HG2 ILE 17 8.091 2.125 6.788 143 HD11 ILE 17 3HD1 ILE 17 8.307 3.710 3.587 144 HD12 ILE 17 1HD1 ILE 17 7.804 2.677 4.927 145 HD13 ILE 17 2HD1 ILE 17 9.445 2.562 4.291 146 HA PRO 18 HA PRO 18 13.970 5.881 8.403 147 HB2 PRO 18 2HB PRO 18 15.032 3.147 8.357 148 HB3 PRO 18 1HB PRO 18 15.182 4.394 9.598 149 HG2 PRO 18 2HG PRO 18 13.647 2.202 9.930 150 HG3 PRO 18 1HG PRO 18 13.229 3.772 10.643 151 HD2 PRO 18 2HD PRO 18 12.123 2.430 8.210 152 HD3 PRO 18 1HD PRO 18 11.284 3.376 9.460 153 H GLN 19 H GLN 19 16.196 5.317 7.398 154 HA GLN 19 HA GLN 19 16.075 5.888 4.685 155 HB2 GLN 19 2HB GLN 19 18.006 6.481 5.977 156 HB3 GLN 19 1HB GLN 19 18.318 4.802 6.387 157 HG2 GLN 19 2HG GLN 19 19.904 5.458 4.754 158 HG3 GLN 19 1HG GLN 19 18.759 4.366 3.979 159 HE21 GLN 19 1HE2 GLN 19 17.344 5.168 2.431 160 HE22 GLN 19 2HE2 GLN 19 17.583 6.709 1.681 161 H GLU 20 H GLU 20 17.207 2.836 6.166 162 HA GLU 20 HA GLU 20 17.595 1.524 3.716 163 HB2 GLU 20 2HB GLU 20 17.174 0.350 6.462 164 HB3 GLU 20 1HB GLU 20 17.780 -0.535 5.066 165 HG2 GLU 20 2HG GLU 20 19.641 1.147 4.939 166 HG3 GLU 20 1HG GLU 20 19.090 1.759 6.497 167 H TRP 21 H TRP 21 14.689 2.248 5.267 168 HA TRP 21 HA TRP 21 13.171 0.052 4.185 169 HB2 TRP 21 2HB TRP 21 12.583 2.537 5.709 170 HB3 TRP 21 1HB TRP 21 11.293 1.915 4.685 171 HD1 TRP 21 HD TRP 21 13.632 0.480 7.459 172 HE1 TRP 21 1HE TRP 21 12.211 -1.111 8.911 173 HE3 TRP 21 3HE TRP 21 9.241 0.790 4.891 174 HZ2 TRP 21 2HZ TRP 21 9.540 -2.085 8.951 175 HZ3 TRP 21 3HZ TRP 21 7.303 -0.485 5.692 176 HH2 TRP 21 HH TRP 21 7.438 -1.887 7.674 177 H HIS 22 H HIS 22 13.330 3.556 3.547 178 HA HIS 22 HA HIS 22 11.909 3.509 1.123 179 HB2 HIS 22 2HB HIS 22 13.969 5.419 2.226 180 HB3 HIS 22 1HB HIS 22 13.242 5.660 0.638 181 HD1 HIS 22 1HD HIS 22 11.402 7.302 0.741 182 HD2 HIS 22 2HD HIS 22 11.679 5.061 4.240 183 HE1 HIS 22 1HE HIS 22 9.545 8.119 2.224 184 HE2 HIS 22 2HE HIS 22 9.852 6.884 4.393 185 H ASP 23 H ASP 23 15.263 2.986 1.896 186 HA ASP 23 HA ASP 23 16.387 3.126 -0.651 187 HB2 ASP 23 2HB ASP 23 17.700 3.094 1.407 188 HB3 ASP 23 1HB ASP 23 17.214 1.430 1.711 189 H ARG 24 H ARG 24 15.327 0.177 1.108 190 HA ARG 24 HA ARG 24 15.772 -1.459 -1.219 191 HB2 ARG 24 2HB ARG 24 14.660 -1.945 1.516 192 HB3 ARG 24 1HB ARG 24 14.408 -3.143 0.258 193 HG2 ARG 24 2HG ARG 24 16.313 -3.750 1.590 194 HG3 ARG 24 1HG ARG 24 16.849 -3.313 -0.030 195 HD2 ARG 24 2HD ARG 24 17.961 -1.470 0.690 196 HD3 ARG 24 1HD ARG 24 16.812 -1.152 1.990 197 HE ARG 24 HE ARG 24 18.127 -3.470 2.704 198 HH11 ARG 24 1HH1 ARG 24 19.190 -0.237 1.859 199 HH12 ARG 24 2HH1 ARG 24 20.420 -0.192 3.089 200 HH21 ARG 24 1HH2 ARG 24 19.753 -3.415 4.300 201 HH22 ARG 24 2HH2 ARG 24 20.710 -1.979 4.509 202 H LEU 25 H LEU 25 12.980 0.057 0.300 203 HA LEU 25 HA LEU 25 11.004 -1.307 -1.159 204 HB2 LEU 25 2HB LEU 25 11.058 1.394 0.158 205 HB3 LEU 25 1HB LEU 25 9.635 0.812 -0.691 206 HG LEU 25 HG LEU 25 10.922 -0.403 1.757 207 HD11 LEU 25 1HD1 LEU 25 8.779 0.135 2.814 208 HD12 LEU 25 2HD1 LEU 25 8.233 0.890 1.317 209 HD13 LEU 25 3HD1 LEU 25 9.591 1.577 2.207 210 HD21 LEU 25 3HD2 LEU 25 9.112 -2.046 1.704 211 HD22 LEU 25 1HD2 LEU 25 10.136 -2.169 0.273 212 HD23 LEU 25 2HD2 LEU 25 8.557 -1.390 0.163 213 H MET 26 H MET 26 12.541 1.856 -1.783 214 HA MET 26 HA MET 26 11.185 2.235 -4.243 215 HB2 MET 26 2HB MET 26 13.698 3.529 -3.190 216 HB3 MET 26 1HB MET 26 12.868 4.023 -4.660 217 HG2 MET 26 2HG MET 26 10.841 4.463 -3.310 218 HG3 MET 26 1HG MET 26 11.775 4.102 -1.862 219 HE1 MET 26 3HE MET 26 14.635 5.389 -2.807 220 HE2 MET 26 1HE MET 26 13.975 5.504 -1.174 221 HE3 MET 26 2HE MET 26 14.500 6.961 -2.019 222 H GLU 27 H GLU 27 14.134 0.559 -3.410 223 HA GLU 27 HA GLU 27 15.180 0.395 -6.036 224 HB2 GLU 27 2HB GLU 27 16.524 -0.120 -4.033 225 HB3 GLU 27 1HB GLU 27 15.526 -1.535 -3.731 226 HG2 GLU 27 2HG GLU 27 16.303 -2.599 -5.715 227 HG3 GLU 27 1HG GLU 27 17.139 -1.137 -6.234 228 H ILE 28 H ILE 28 13.173 -1.857 -4.137 229 HA ILE 28 HA ILE 28 12.642 -3.680 -6.222 230 HB ILE 28 HB ILE 28 10.837 -2.884 -3.924 231 HG12 ILE 28 2HG1 ILE 28 12.789 -5.188 -4.162 232 HG13 ILE 28 1HG1 ILE 28 13.064 -3.722 -3.228 233 HG21 ILE 28 1HG2 ILE 28 9.585 -4.018 -5.669 234 HG22 ILE 28 2HG2 ILE 28 9.762 -5.069 -4.265 235 HG23 ILE 28 3HG2 ILE 28 10.763 -5.330 -5.692 236 HD11 ILE 28 3HD1 ILE 28 12.379 -5.565 -1.803 237 HD12 ILE 28 1HD1 ILE 28 10.890 -5.743 -2.730 238 HD13 ILE 28 2HD1 ILE 28 11.174 -4.277 -1.793 239 H ALA 29 H ALA 29 11.235 -0.620 -5.323 240 HA ALA 29 HA ALA 29 8.982 -0.610 -7.000 241 HB1 ALA 29 1HB ALA 29 9.305 0.945 -5.139 242 HB2 ALA 29 2HB ALA 29 8.966 1.795 -6.647 243 HB3 ALA 29 3HB ALA 29 10.614 1.728 -6.024 244 H LYS 30 H LYS 30 12.351 -0.103 -7.691 245 HA LYS 30 HA LYS 30 11.909 1.210 -10.221 246 HB2 LYS 30 2HB LYS 30 14.394 -0.203 -9.224 247 HB3 LYS 30 1HB LYS 30 14.305 0.923 -10.573 248 HG2 LYS 30 2HG LYS 30 13.858 2.752 -9.097 249 HG3 LYS 30 1HG LYS 30 13.706 1.661 -7.718 250 HD2 LYS 30 2HD LYS 30 16.081 0.982 -8.097 251 HD3 LYS 30 1HD LYS 30 16.192 2.249 -9.318 252 HE2 LYS 30 2HE LYS 30 15.673 3.935 -7.631 253 HE3 LYS 30 1HE LYS 30 15.501 2.674 -6.411 254 HZ1 LYS 30 3HZ LYS 30 18.000 3.343 -7.883 255 HZ2 LYS 30 1HZ LYS 30 17.842 2.116 -6.724 256 HZ3 LYS 30 2HZ LYS 30 17.662 3.740 -6.271 257 H GLU 31 H GLU 31 12.634 -2.003 -9.054 258 HA GLU 31 HA GLU 31 13.053 -3.282 -11.508 259 HB2 GLU 31 2HB GLU 31 13.719 -4.258 -9.379 260 HB3 GLU 31 1HB GLU 31 12.038 -4.388 -8.884 261 HG2 GLU 31 2HG GLU 31 12.977 -6.532 -9.603 262 HG3 GLU 31 1HG GLU 31 11.618 -6.023 -10.606 263 H LYS 32 H LYS 32 10.087 -3.205 -9.501 264 HA LYS 32 HA LYS 32 8.657 -4.505 -11.687 265 HB2 LYS 32 2HB LYS 32 8.312 -4.358 -8.783 266 HB3 LYS 32 1HB LYS 32 6.807 -4.219 -9.684 267 HG2 LYS 32 2HG LYS 32 7.252 -6.528 -9.086 268 HG3 LYS 32 1HG LYS 32 7.295 -6.317 -10.835 269 HD2 LYS 32 2HD LYS 32 9.792 -6.133 -10.650 270 HD3 LYS 32 1HD LYS 32 9.633 -6.609 -8.960 271 HE2 LYS 32 2HE LYS 32 8.667 -8.232 -11.312 272 HE3 LYS 32 1HE LYS 32 10.187 -8.498 -10.464 273 HZ1 LYS 32 3HZ LYS 32 7.475 -8.708 -9.259 274 HZ2 LYS 32 1HZ LYS 32 8.946 -8.970 -8.449 275 HZ3 LYS 32 2HZ LYS 32 8.470 -10.009 -9.704 276 H ASN 33 H ASN 33 9.284 -1.415 -10.889 277 HA ASN 33 HA ASN 33 8.445 0.606 -11.460 278 HB2 ASN 33 2HB ASN 33 8.130 -0.350 -13.693 279 HB3 ASN 33 1HB ASN 33 6.562 -0.989 -13.214 280 HD21 ASN 33 1HD2 ASN 33 5.622 0.175 -14.928 281 HD22 ASN 33 2HD2 ASN 33 5.334 1.878 -14.800 282 H LEU 34 H LEU 34 7.833 0.388 -9.191 283 HA LEU 34 HA LEU 34 4.963 0.932 -8.846 284 HB2 LEU 34 2HB LEU 34 6.699 -0.648 -6.929 285 HB3 LEU 34 1HB LEU 34 5.015 -0.222 -6.683 286 HG LEU 34 HG LEU 34 6.000 -2.038 -8.888 287 HD11 LEU 34 1HD1 LEU 34 5.095 -3.859 -7.543 288 HD12 LEU 34 2HD1 LEU 34 4.731 -2.724 -6.243 289 HD13 LEU 34 3HD1 LEU 34 6.405 -3.030 -6.703 290 HD21 LEU 34 3HD2 LEU 34 3.228 -1.438 -7.856 291 HD22 LEU 34 1HD2 LEU 34 3.633 -2.649 -9.075 292 HD23 LEU 34 2HD2 LEU 34 3.896 -0.938 -9.411 293 H THR 35 H THR 35 4.613 2.283 -6.835 294 HA THR 35 HA THR 35 7.036 3.812 -6.176 295 HB THR 35 HB THR 35 5.557 5.500 -5.183 296 HG1 THR 35 1HG THR 35 3.414 3.853 -6.131 297 HG21 THR 35 3HG2 THR 35 4.673 4.746 -7.972 298 HG22 THR 35 1HG2 THR 35 6.115 5.680 -7.570 299 HG23 THR 35 2HG2 THR 35 4.514 6.334 -7.222 300 H LEU 36 H LEU 36 7.255 4.396 -3.815 301 HA LEU 36 HA LEU 36 7.242 2.095 -2.231 302 HB2 LEU 36 2HB LEU 36 7.929 3.452 -0.412 303 HB3 LEU 36 1HB LEU 36 8.665 4.118 -1.851 304 HG LEU 36 HG LEU 36 6.211 5.260 -0.505 305 HD11 LEU 36 1HD1 LEU 36 8.165 5.418 0.930 306 HD12 LEU 36 2HD1 LEU 36 7.723 7.004 0.301 307 HD13 LEU 36 3HD1 LEU 36 9.092 6.133 -0.389 308 HD21 LEU 36 3HD2 LEU 36 6.705 7.240 -1.891 309 HD22 LEU 36 1HD2 LEU 36 6.303 5.826 -2.863 310 HD23 LEU 36 2HD2 LEU 36 7.984 6.335 -2.701 311 H SER 37 H SER 37 4.933 4.703 -2.555 312 HA SER 37 HA SER 37 3.116 4.023 -0.563 313 HB2 SER 37 2HB SER 37 2.424 5.141 -3.288 314 HB3 SER 37 1HB SER 37 1.553 5.385 -1.771 315 HG SER 37 HG SER 37 2.751 7.128 -1.687 316 H ASP 38 H ASP 38 3.471 2.808 -3.875 317 HA ASP 38 HA ASP 38 1.149 1.218 -3.958 318 HB2 ASP 38 2HB ASP 38 3.790 0.982 -5.395 319 HB3 ASP 38 1HB ASP 38 2.499 -0.186 -5.634 320 H VAL 39 H VAL 39 4.423 0.566 -2.844 321 HA VAL 39 HA VAL 39 4.134 -2.207 -2.490 322 HB VAL 39 HB VAL 39 5.965 -0.342 -0.968 323 HG11 VAL 39 1HG1 VAL 39 7.366 -2.313 -0.645 324 HG12 VAL 39 2HG1 VAL 39 6.167 -3.308 -1.471 325 HG13 VAL 39 3HG1 VAL 39 5.768 -2.542 0.066 326 HG21 VAL 39 3HG2 VAL 39 6.265 -0.082 -3.363 327 HG22 VAL 39 1HG2 VAL 39 6.414 -1.830 -3.554 328 HG23 VAL 39 2HG2 VAL 39 7.643 -0.932 -2.663 329 H CYS 40 H CYS 40 3.478 0.513 -0.323 330 HA CYS 40 HA CYS 40 3.101 -1.087 1.996 331 HB2 CYS 40 2HB CYS 40 1.879 1.657 1.531 332 HB3 CYS 40 1HB CYS 40 2.300 0.902 3.063 333 HG CYS 40 HG CYS 40 4.665 1.770 0.749 334 H ARG 41 H ARG 41 0.642 0.626 0.032 335 HA ARG 41 HA ARG 41 -1.557 -0.645 1.063 336 HB2 ARG 41 2HB ARG 41 -2.718 0.033 -0.999 337 HB3 ARG 41 1HB ARG 41 -1.762 1.320 -0.291 338 HG2 ARG 41 2HG ARG 41 -1.186 1.628 -2.440 339 HG3 ARG 41 1HG ARG 41 0.022 0.407 -2.042 340 HD2 ARG 41 2HD ARG 41 -1.210 -1.309 -3.068 341 HD3 ARG 41 1HD ARG 41 -2.672 -0.320 -3.139 342 HE ARG 41 HE ARG 41 -0.322 0.542 -4.657 343 HH11 ARG 41 1HH1 ARG 41 -3.565 -0.823 -4.712 344 HH12 ARG 41 2HH1 ARG 41 -3.826 -0.424 -6.377 345 HH21 ARG 41 1HH2 ARG 41 -0.687 1.082 -6.830 346 HH22 ARG 41 2HH2 ARG 41 -2.205 0.657 -7.580 347 H LEU 42 H LEU 42 0.586 -1.812 -1.536 348 HA LEU 42 HA LEU 42 -1.037 -4.098 -2.095 349 HB2 LEU 42 2HB LEU 42 1.890 -3.574 -2.605 350 HB3 LEU 42 1HB LEU 42 1.051 -5.015 -3.145 351 HG LEU 42 HG LEU 42 0.410 -2.188 -4.002 352 HD11 LEU 42 1HD1 LEU 42 1.719 -4.450 -5.505 353 HD12 LEU 42 2HD1 LEU 42 2.522 -2.995 -4.919 354 HD13 LEU 42 3HD1 LEU 42 1.287 -2.875 -6.172 355 HD21 LEU 42 3HD2 LEU 42 -1.576 -3.594 -3.965 356 HD22 LEU 42 1HD2 LEU 42 -0.735 -4.830 -4.904 357 HD23 LEU 42 2HD2 LEU 42 -1.082 -3.259 -5.625 358 H ALA 43 H ALA 43 1.225 -3.270 0.347 359 HA ALA 43 HA ALA 43 1.931 -5.883 1.155 360 HB1 ALA 43 1HB ALA 43 1.980 -3.330 2.736 361 HB2 ALA 43 2HB ALA 43 3.288 -3.948 1.726 362 HB3 ALA 43 3HB ALA 43 2.790 -4.834 3.169 363 H ILE 44 H ILE 44 -0.483 -3.541 2.325 364 HA ILE 44 HA ILE 44 -1.520 -5.291 4.311 365 HB ILE 44 HB ILE 44 -3.592 -3.751 4.156 366 HG12 ILE 44 2HG1 ILE 44 -1.592 -2.149 2.552 367 HG13 ILE 44 1HG1 ILE 44 -3.148 -2.749 1.986 368 HG21 ILE 44 1HG2 ILE 44 -2.038 -3.679 5.982 369 HG22 ILE 44 2HG2 ILE 44 -2.455 -2.033 5.503 370 HG23 ILE 44 3HG2 ILE 44 -0.905 -2.726 5.025 371 HD11 ILE 44 3HD1 ILE 44 -4.300 -1.300 3.561 372 HD12 ILE 44 1HD1 ILE 44 -3.237 -0.369 2.506 373 HD13 ILE 44 2HD1 ILE 44 -2.753 -0.709 4.168 374 H LYS 45 H LYS 45 -2.078 -4.891 0.912 375 HA LYS 45 HA LYS 45 -4.516 -6.243 0.727 376 HB2 LYS 45 2HB LYS 45 -3.312 -5.033 -1.148 377 HB3 LYS 45 1HB LYS 45 -2.287 -6.455 -1.300 378 HG2 LYS 45 2HG LYS 45 -3.973 -6.671 -2.934 379 HG3 LYS 45 1HG LYS 45 -4.398 -7.795 -1.639 380 HD2 LYS 45 2HD LYS 45 -5.893 -5.973 -0.718 381 HD3 LYS 45 1HD LYS 45 -5.607 -5.097 -2.220 382 HE2 LYS 45 2HE LYS 45 -6.976 -7.750 -1.851 383 HE3 LYS 45 1HE LYS 45 -7.656 -6.256 -2.492 384 HZ1 LYS 45 3HZ LYS 45 -5.696 -8.064 -3.778 385 HZ2 LYS 45 1HZ LYS 45 -5.991 -6.493 -4.348 386 HZ3 LYS 45 2HZ LYS 45 -7.239 -7.640 -4.329 387 H GLU 46 H GLU 46 -1.177 -7.496 0.636 388 HA GLU 46 HA GLU 46 -2.007 -10.236 0.510 389 HB2 GLU 46 2HB GLU 46 0.180 -9.462 -0.370 390 HB3 GLU 46 1HB GLU 46 0.687 -9.084 1.272 391 HG2 GLU 46 2HG GLU 46 0.541 -11.416 1.888 392 HG3 GLU 46 1HG GLU 46 -0.066 -11.828 0.285 393 H TYR 47 H TYR 47 -1.373 -7.914 2.978 394 HA TYR 47 HA TYR 47 -1.147 -9.604 5.200 395 HB2 TYR 47 2HB TYR 47 -0.695 -7.155 5.212 396 HB3 TYR 47 1HB TYR 47 -2.419 -6.861 5.048 397 HD1 TYR 47 2HD TYR 47 0.203 -8.104 7.329 398 HD2 TYR 47 1HD TYR 47 -3.870 -6.944 6.943 399 HE1 TYR 47 2HE TYR 47 -0.010 -8.047 9.776 400 HE2 TYR 47 1HE TYR 47 -4.092 -6.887 9.394 401 HH TYR 47 HH TYR 47 -1.349 -7.101 11.494 402 H LEU 48 H LEU 48 -3.964 -8.057 3.701 403 HA LEU 48 HA LEU 48 -5.923 -9.355 5.287 404 HB2 LEU 48 2HB LEU 48 -6.177 -8.255 2.484 405 HB3 LEU 48 1HB LEU 48 -7.508 -8.644 3.558 406 HG LEU 48 HG LEU 48 -5.468 -6.459 3.985 407 HD11 LEU 48 1HD1 LEU 48 -8.394 -6.354 3.273 408 HD12 LEU 48 2HD1 LEU 48 -7.042 -5.919 2.226 409 HD13 LEU 48 3HD1 LEU 48 -7.388 -4.962 3.668 410 HD21 LEU 48 3HD2 LEU 48 -6.176 -7.419 6.106 411 HD22 LEU 48 1HD2 LEU 48 -7.868 -7.242 5.636 412 HD23 LEU 48 2HD2 LEU 48 -6.868 -5.811 5.888 413 H ASP 49 H ASP 49 -4.320 -10.147 2.281 414 HA ASP 49 HA ASP 49 -5.953 -12.244 1.406 415 HB2 ASP 49 2HB ASP 49 -4.245 -11.136 0.027 416 HB3 ASP 49 1HB ASP 49 -2.980 -11.863 1.011 417 H ASN 50 H ASN 50 -3.207 -12.235 3.618 418 HA ASN 50 HA ASN 50 -3.126 -15.105 3.778 419 HB2 ASN 50 2HB ASN 50 -1.582 -12.867 4.988 420 HB3 ASN 50 1HB ASN 50 -1.547 -14.428 5.805 421 HD21 ASN 50 1HD2 ASN 50 -0.726 -12.685 2.910 422 HD22 ASN 50 2HD2 ASN 50 0.366 -13.866 2.275 423 H HIS 51 H HIS 51 -4.412 -12.511 5.811 424 HA HIS 51 HA HIS 51 -4.960 -14.468 7.914 425 HB2 HIS 51 2HB HIS 51 -5.211 -11.457 7.939 426 HB3 HIS 51 1HB HIS 51 -5.564 -12.508 9.307 427 HD1 HIS 51 1HD HIS 51 -3.435 -13.958 10.192 428 HD2 HIS 51 2HD HIS 51 -2.592 -10.700 7.740 429 HE1 HIS 51 1HE HIS 51 -0.993 -13.453 10.538 430 HE2 HIS 51 2HE HIS 51 -0.502 -11.456 9.076 431 H ASP 52 H ASP 52 -6.591 -12.575 5.539 432 HA ASP 52 HA ASP 52 -8.706 -12.360 4.848 433 HB2 ASP 52 2HB ASP 52 -8.551 -14.793 4.680 434 HB3 ASP 52 1HB ASP 52 -9.149 -14.953 6.327 435 H LYS 53 H LYS 53 -9.387 -13.860 8.013 436 HA LYS 53 HA LYS 53 -10.709 -11.396 8.854 437 HB2 LYS 53 2HB LYS 53 -12.080 -14.047 8.474 438 HB3 LYS 53 1HB LYS 53 -12.702 -12.843 9.596 439 HG2 LYS 53 2HG LYS 53 -13.071 -11.284 7.853 440 HG3 LYS 53 1HG LYS 53 -12.175 -12.267 6.696 441 HD2 LYS 53 2HD LYS 53 -13.888 -14.007 6.844 442 HD3 LYS 53 1HD LYS 53 -14.784 -13.025 8.009 443 HE2 LYS 53 2HE LYS 53 -15.216 -11.346 6.395 444 HE3 LYS 53 1HE LYS 53 -14.068 -12.047 5.258 445 HZ1 LYS 53 3HZ LYS 53 -16.316 -12.539 4.608 446 HZ2 LYS 53 1HZ LYS 53 -16.648 -13.255 6.107 447 HZ3 LYS 53 2HZ LYS 53 -15.529 -13.973 5.056 448 H GLN 54 H GLN 54 -10.475 -14.804 9.908 449 HA GLN 54 HA GLN 54 -10.161 -15.723 11.969 450 HB2 GLN 54 2HB GLN 54 -8.302 -13.381 12.430 451 HB3 GLN 54 1HB GLN 54 -8.266 -14.934 13.252 452 HG2 GLN 54 2HG GLN 54 -7.591 -14.361 10.381 453 HG3 GLN 54 1HG GLN 54 -6.500 -14.899 11.657 454 HE21 GLN 54 1HE2 GLN 54 -6.555 -17.048 12.315 455 HE22 GLN 54 2HE2 GLN 54 -7.301 -18.281 11.360 456 H LYS 55 H LYS 55 -12.389 -15.097 12.347 457 HA LYS 55 HA LYS 55 -13.240 -12.582 13.112 458 HB2 LYS 55 2HB LYS 55 -14.526 -15.249 13.678 459 HB3 LYS 55 1HB LYS 55 -15.329 -13.692 13.824 460 HG2 LYS 55 2HG LYS 55 -14.940 -13.294 11.424 461 HG3 LYS 55 1HG LYS 55 -14.219 -14.899 11.300 462 HD2 LYS 55 2HD LYS 55 -17.049 -14.300 12.155 463 HD3 LYS 55 1HD LYS 55 -16.556 -14.892 10.569 464 HE2 LYS 55 2HE LYS 55 -15.651 -16.918 11.625 465 HE3 LYS 55 1HE LYS 55 -16.198 -16.331 13.196 466 HZ1 LYS 55 3HZ LYS 55 -17.899 -17.035 10.866 467 HZ2 LYS 55 1HZ LYS 55 -18.479 -16.315 12.290 468 HZ3 LYS 55 2HZ LYS 55 -17.795 -17.867 12.339 469 H LYS 56 H LYS 56 -12.754 -11.457 14.818 470 HA LYS 56 HA LYS 56 -12.511 -12.763 17.429 471 HB2 LYS 56 2HB LYS 56 -10.679 -11.270 16.867 472 HB3 LYS 56 1HB LYS 56 -11.797 -9.970 16.487 473 HG2 LYS 56 2HG LYS 56 -11.856 -11.100 19.236 474 HG3 LYS 56 1HG LYS 56 -10.491 -10.078 18.781 475 HD2 LYS 56 2HD LYS 56 -12.025 -8.291 18.146 476 HD3 LYS 56 1HD LYS 56 -13.403 -9.315 18.544 477 HE2 LYS 56 2HE LYS 56 -11.281 -8.435 20.497 478 HE3 LYS 56 1HE LYS 56 -12.858 -7.668 20.310 479 HZ1 LYS 56 3HZ LYS 56 -12.341 -10.462 21.182 480 HZ2 LYS 56 1HZ LYS 56 -13.882 -9.813 20.899 481 HZ3 LYS 56 2HZ LYS 56 -12.915 -9.193 22.143 482 H1 GLY 2 1HT GLY 2 25.077 21.124 8.705 483 H2 GLY 2 2HT GLY 2 25.419 21.390 10.344 484 H3 GLY 2 3HT GLY 2 23.822 21.451 9.792 485 HA2 GLY 2 1HA GLY 2 25.526 19.026 9.744 486 HA3 GLY 2 2HA GLY 2 24.330 19.379 10.984 487 H ARG 3 H ARG 3 22.585 18.219 10.716 488 HA ARG 3 HA ARG 3 20.715 17.300 9.823 489 HB2 ARG 3 2HB ARG 3 20.478 19.538 8.719 490 HB3 ARG 3 1HB ARG 3 21.313 18.879 7.319 491 HG2 ARG 3 2HG ARG 3 18.962 18.846 6.898 492 HG3 ARG 3 1HG ARG 3 19.511 17.182 7.110 493 HD2 ARG 3 2HD ARG 3 17.386 17.636 8.275 494 HD3 ARG 3 1HD ARG 3 18.674 17.160 9.384 495 HE ARG 3 HE ARG 3 18.757 19.908 9.332 496 HH11 ARG 3 1HH1 ARG 3 16.319 17.510 10.134 497 HH12 ARG 3 2HH1 ARG 3 15.512 18.535 11.280 498 HH21 ARG 3 1HH2 ARG 3 17.700 21.243 10.847 499 HH22 ARG 3 2HH2 ARG 3 16.309 20.641 11.701 500 HA PRO 4 HA PRO 4 22.815 13.816 7.827 501 HB2 PRO 4 2HB PRO 4 20.652 12.160 8.303 502 HB3 PRO 4 1HB PRO 4 22.006 12.389 9.412 503 HG2 PRO 4 2HG PRO 4 19.291 13.627 9.450 504 HG3 PRO 4 1HG PRO 4 20.292 13.068 10.803 505 HD2 PRO 4 2HD PRO 4 20.051 15.677 10.187 506 HD3 PRO 4 1HD PRO 4 21.566 14.996 10.817 507 H TYR 5 H TYR 5 22.153 12.415 6.021 508 HA TYR 5 HA TYR 5 20.794 14.037 4.051 509 HB2 TYR 5 2HB TYR 5 21.961 11.276 3.657 510 HB3 TYR 5 1HB TYR 5 21.671 12.507 2.433 511 HD1 TYR 5 1HD TYR 5 23.055 14.655 2.559 512 HD2 TYR 5 2HD TYR 5 24.024 11.140 4.744 513 HE1 TYR 5 1HE TYR 5 25.356 15.472 2.841 514 HE2 TYR 5 2HE TYR 5 26.323 11.948 5.038 515 HH TYR 5 HH TYR 5 27.883 13.500 3.920 516 H LYS 6 H LYS 6 20.154 11.353 6.054 517 HA LYS 6 HA LYS 6 17.733 10.616 4.617 518 HB2 LYS 6 2HB LYS 6 17.551 8.990 6.630 519 HB3 LYS 6 1HB LYS 6 18.788 8.700 5.417 520 HG2 LYS 6 2HG LYS 6 20.454 9.763 6.866 521 HG3 LYS 6 1HG LYS 6 19.209 10.027 8.090 522 HD2 LYS 6 2HD LYS 6 18.899 7.661 8.366 523 HD3 LYS 6 1HD LYS 6 19.976 7.317 7.011 524 HE2 LYS 6 2HE LYS 6 20.815 8.710 9.547 525 HE3 LYS 6 1HE LYS 6 21.022 6.986 9.245 526 HZ1 LYS 6 3HZ LYS 6 23.046 8.191 8.764 527 HZ2 LYS 6 1HZ LYS 6 22.231 9.187 7.658 528 HZ3 LYS 6 2HZ LYS 6 22.406 7.533 7.335 529 H LEU 7 H LEU 7 17.854 13.231 5.591 530 HA LEU 7 HA LEU 7 16.635 14.805 6.644 531 HB2 LEU 7 2HB LEU 7 14.653 12.553 6.974 532 HB3 LEU 7 1HB LEU 7 14.308 14.243 7.282 533 HG LEU 7 HG LEU 7 15.027 13.042 4.604 534 HD11 LEU 7 1HD1 LEU 7 12.431 14.136 5.678 535 HD12 LEU 7 2HD1 LEU 7 12.788 12.449 5.310 536 HD13 LEU 7 3HD1 LEU 7 12.720 13.640 4.010 537 HD21 LEU 7 3HD2 LEU 7 14.330 15.879 5.362 538 HD22 LEU 7 1HD2 LEU 7 14.499 15.272 3.714 539 HD23 LEU 7 2HD2 LEU 7 15.894 15.300 4.791 540 H LEU 8 H LEU 8 15.263 12.315 8.690 541 HA LEU 8 HA LEU 8 17.090 12.940 10.867 542 HB2 LEU 8 2HB LEU 8 14.127 13.457 10.936 543 HB3 LEU 8 1HB LEU 8 15.040 13.164 12.403 544 HG LEU 8 HG LEU 8 15.615 15.405 10.462 545 HD11 LEU 8 1HD1 LEU 8 14.602 16.857 12.148 546 HD12 LEU 8 2HD1 LEU 8 14.154 15.441 13.101 547 HD13 LEU 8 3HD1 LEU 8 13.436 15.698 11.509 548 HD21 LEU 8 3HD2 LEU 8 16.641 14.826 13.241 549 HD22 LEU 8 1HD2 LEU 8 16.991 16.276 12.298 550 HD23 LEU 8 2HD2 LEU 8 17.562 14.703 11.741 551 H ASN 9 H ASN 9 17.071 10.658 9.450 552 HA ASN 9 HA ASN 9 17.122 8.405 9.694 553 HB2 ASN 9 2HB ASN 9 16.268 9.056 12.520 554 HB3 ASN 9 1HB ASN 9 16.681 7.434 11.969 555 HD21 ASN 9 1HD2 ASN 9 17.940 9.206 13.973 556 HD22 ASN 9 2HD2 ASN 9 19.597 9.341 13.491 557 H GLY 10 H GLY 10 14.686 9.986 9.001 558 HA2 GLY 10 2HA GLY 10 12.902 7.772 8.659 559 HA3 GLY 10 1HA GLY 10 12.294 8.961 9.807 560 H ILE 11 H ILE 11 11.410 8.177 7.029 561 HA ILE 11 HA ILE 11 11.727 10.823 5.748 562 HB ILE 11 HB ILE 11 11.371 8.282 4.169 563 HG12 ILE 11 2HG1 ILE 11 13.446 8.040 5.470 564 HG13 ILE 11 1HG1 ILE 11 13.777 8.233 3.752 565 HG21 ILE 11 1HG2 ILE 11 12.299 9.633 2.347 566 HG22 ILE 11 2HG2 ILE 11 12.432 11.008 3.443 567 HG23 ILE 11 3HG2 ILE 11 10.844 10.359 3.030 568 HD11 ILE 11 3HD1 ILE 11 14.389 10.541 4.096 569 HD12 ILE 11 1HD1 ILE 11 15.331 9.496 5.161 570 HD13 ILE 11 2HD1 ILE 11 13.971 10.423 5.806 571 H LYS 12 H LYS 12 9.928 11.568 4.534 572 HA LYS 12 HA LYS 12 7.429 10.570 5.684 573 HB2 LYS 12 2HB LYS 12 7.942 12.876 6.185 574 HB3 LYS 12 1HB LYS 12 8.183 13.237 4.484 575 HG2 LYS 12 2HG LYS 12 6.056 14.096 5.333 576 HG3 LYS 12 1HG LYS 12 5.829 12.916 4.042 577 HD2 LYS 12 2HD LYS 12 5.237 11.215 5.631 578 HD3 LYS 12 1HD LYS 12 5.646 12.272 6.982 579 HE2 LYS 12 2HE LYS 12 3.218 12.118 6.605 580 HE3 LYS 12 1HE LYS 12 3.829 13.762 6.413 581 HZ1 LYS 12 3HZ LYS 12 2.241 13.124 4.679 582 HZ2 LYS 12 1HZ LYS 12 3.284 11.886 4.177 583 HZ3 LYS 12 2HZ LYS 12 3.763 13.505 4.037 584 H LEU 13 H LEU 13 5.931 9.671 4.499 585 HA LEU 13 HA LEU 13 5.973 9.976 1.586 586 HB2 LEU 13 2HB LEU 13 5.532 7.556 1.341 587 HB3 LEU 13 1HB LEU 13 7.120 7.904 1.990 588 HG LEU 13 HG LEU 13 4.854 7.221 3.838 589 HD11 LEU 13 1HD1 LEU 13 4.914 5.459 2.139 590 HD12 LEU 13 2HD1 LEU 13 5.493 4.872 3.697 591 HD13 LEU 13 3HD1 LEU 13 6.643 5.252 2.416 592 HD21 LEU 13 3HD2 LEU 13 6.926 8.092 4.805 593 HD22 LEU 13 1HD2 LEU 13 7.845 6.834 3.977 594 HD23 LEU 13 2HD2 LEU 13 6.688 6.397 5.235 595 H GLY 14 H GLY 14 3.946 9.070 0.591 596 HA2 GLY 14 2HA GLY 14 1.659 9.121 2.402 597 HA3 GLY 14 1HA GLY 14 1.704 10.316 1.111 598 H VAL 15 H VAL 15 0.282 7.561 1.897 599 HA VAL 15 HA VAL 15 0.447 6.402 -0.801 600 HB VAL 15 HB VAL 15 -0.569 5.051 1.724 601 HG11 VAL 15 1HG1 VAL 15 0.028 3.932 -1.008 602 HG12 VAL 15 2HG1 VAL 15 -1.576 4.170 -0.311 603 HG13 VAL 15 3HG1 VAL 15 -0.465 3.002 0.407 604 HG21 VAL 15 3HG2 VAL 15 2.066 4.706 0.307 605 HG22 VAL 15 1HG2 VAL 15 1.499 3.776 1.694 606 HG23 VAL 15 2HG2 VAL 15 1.827 5.502 1.863 607 H TYR 16 H TYR 16 -1.455 6.000 -1.956 608 HA TYR 16 HA TYR 16 -3.886 7.290 -0.875 609 HB2 TYR 16 2HB TYR 16 -2.674 8.151 -3.052 610 HB3 TYR 16 1HB TYR 16 -3.463 6.756 -3.784 611 HD1 TYR 16 1HD TYR 16 -4.782 8.966 -1.135 612 HD2 TYR 16 2HD TYR 16 -5.056 7.749 -5.197 613 HE1 TYR 16 1HE TYR 16 -6.823 10.294 -1.380 614 HE2 TYR 16 2HE TYR 16 -7.109 9.077 -5.461 615 HH TYR 16 HH TYR 16 -8.106 11.392 -3.183 616 H ILE 17 H ILE 17 -5.529 5.914 -0.441 617 HA ILE 17 HA ILE 17 -5.735 3.453 -1.996 618 HB ILE 17 HB ILE 17 -5.917 2.001 -0.066 619 HG12 ILE 17 2HG1 ILE 17 -5.186 4.420 1.597 620 HG13 ILE 17 1HG1 ILE 17 -6.761 3.629 1.571 621 HG21 ILE 17 1HG2 ILE 17 -3.736 2.243 -1.073 622 HG22 ILE 17 2HG2 ILE 17 -3.581 2.020 0.671 623 HG23 ILE 17 3HG2 ILE 17 -3.384 3.624 -0.034 624 HD11 ILE 17 3HD1 ILE 17 -5.567 2.910 3.514 625 HD12 ILE 17 1HD1 ILE 17 -4.161 2.467 2.539 626 HD13 ILE 17 2HD1 ILE 17 -5.661 1.556 2.381 627 HA PRO 18 HA PRO 18 -10.082 3.853 -2.027 628 HB2 PRO 18 2HB PRO 18 -10.186 1.061 -0.984 629 HB3 PRO 18 1HB PRO 18 -10.962 1.758 -2.410 630 HG2 PRO 18 2HG PRO 18 -8.830 0.208 -2.673 631 HG3 PRO 18 1HG PRO 18 -9.018 1.659 -3.679 632 HD2 PRO 18 2HD PRO 18 -7.262 1.206 -1.307 633 HD3 PRO 18 1HD PRO 18 -6.953 2.142 -2.786 634 H GLN 19 H GLN 19 -11.871 4.206 -0.767 635 HA GLN 19 HA GLN 19 -11.430 4.758 1.985 636 HB2 GLN 19 2HB GLN 19 -13.758 5.436 2.051 637 HB3 GLN 19 1HB GLN 19 -13.004 6.053 0.588 638 HG2 GLN 19 2HG GLN 19 -14.250 4.743 -0.778 639 HG3 GLN 19 1HG GLN 19 -14.376 3.438 0.405 640 HE21 GLN 19 1HE2 GLN 19 -15.926 3.586 2.041 641 HE22 GLN 19 2HE2 GLN 19 -17.296 4.635 1.912 642 H GLU 20 H GLU 20 -12.890 2.098 0.244 643 HA GLU 20 HA GLU 20 -14.164 0.692 2.284 644 HB2 GLU 20 2HB GLU 20 -12.510 -0.445 0.018 645 HB3 GLU 20 1HB GLU 20 -13.737 -1.311 0.930 646 HG2 GLU 20 2HG GLU 20 -15.478 -0.085 -0.019 647 HG3 GLU 20 1HG GLU 20 -14.393 1.182 -0.590 648 H TRP 21 H TRP 21 -10.793 1.005 1.483 649 HA TRP 21 HA TRP 21 -9.843 -1.006 3.276 650 HB2 TRP 21 2HB TRP 21 -8.573 1.241 1.736 651 HB3 TRP 21 1HB TRP 21 -7.650 0.319 2.913 652 HD1 TRP 21 HD TRP 21 -10.060 -1.777 0.891 653 HE1 TRP 21 1HE TRP 21 -8.703 -3.134 -0.840 654 HE3 TRP 21 3HE TRP 21 -5.598 0.559 1.433 655 HZ2 TRP 21 2HZ TRP 21 -6.007 -3.178 -1.825 656 HZ3 TRP 21 3HZ TRP 21 -3.691 -0.168 0.103 657 HH2 TRP 21 HH TRP 21 -3.867 -1.975 -1.476 658 H HIS 22 H HIS 22 -10.124 2.512 3.290 659 HA HIS 22 HA HIS 22 -8.884 3.025 5.720 660 HB2 HIS 22 2HB HIS 22 -11.073 4.445 4.230 661 HB3 HIS 22 1HB HIS 22 -10.522 5.026 5.800 662 HD1 HIS 22 1HD HIS 22 -8.535 6.509 5.804 663 HD2 HIS 22 2HD HIS 22 -8.907 4.396 2.237 664 HE1 HIS 22 1HE HIS 22 -6.736 7.407 4.289 665 HE2 HIS 22 2HE HIS 22 -7.084 6.229 2.088 666 H ASP 23 H ASP 23 -12.279 2.214 5.064 667 HA ASP 23 HA ASP 23 -13.256 2.465 7.667 668 HB2 ASP 23 2HB ASP 23 -14.747 2.194 5.775 669 HB3 ASP 23 1HB ASP 23 -14.110 0.585 5.457 670 H ARG 24 H ARG 24 -11.985 -0.444 6.032 671 HA ARG 24 HA ARG 24 -12.347 -2.110 8.320 672 HB2 ARG 24 2HB ARG 24 -11.050 -2.392 5.661 673 HB3 ARG 24 1HB ARG 24 -10.531 -3.500 6.920 674 HG2 ARG 24 2HG ARG 24 -12.283 -4.464 5.539 675 HG3 ARG 24 1HG ARG 24 -12.811 -4.274 7.208 676 HD2 ARG 24 2HD ARG 24 -14.198 -2.462 6.677 677 HD3 ARG 24 1HD ARG 24 -13.432 -2.224 5.105 678 HE ARG 24 HE ARG 24 -14.460 -4.750 4.970 679 HH11 ARG 24 1HH1 ARG 24 -15.888 -1.638 5.785 680 HH12 ARG 24 2HH1 ARG 24 -17.420 -2.029 5.053 681 HH21 ARG 24 1HH2 ARG 24 -16.466 -5.240 4.017 682 HH22 ARG 24 2HH2 ARG 24 -17.742 -4.058 4.041 683 H LEU 25 H LEU 25 -9.576 -0.381 6.976 684 HA LEU 25 HA LEU 25 -7.640 -1.442 8.742 685 HB2 LEU 25 2HB LEU 25 -7.673 1.150 7.196 686 HB3 LEU 25 1HB LEU 25 -6.279 0.538 8.065 687 HG LEU 25 HG LEU 25 -7.604 -0.791 5.696 688 HD11 LEU 25 1HD1 LEU 25 -4.930 0.573 5.971 689 HD12 LEU 25 2HD1 LEU 25 -6.333 1.210 5.115 690 HD13 LEU 25 3HD1 LEU 25 -5.531 -0.251 4.532 691 HD21 LEU 25 3HD2 LEU 25 -5.154 -1.605 7.260 692 HD22 LEU 25 1HD2 LEU 25 -5.752 -2.374 5.792 693 HD23 LEU 25 2HD2 LEU 25 -6.711 -2.435 7.272 694 H MET 26 H MET 26 -9.709 1.426 8.895 695 HA MET 26 HA MET 26 -8.451 2.586 11.127 696 HB2 MET 26 2HB MET 26 -11.223 2.896 10.014 697 HB3 MET 26 1HB MET 26 -10.704 3.755 11.458 698 HG2 MET 26 2HG MET 26 -8.843 4.730 10.138 699 HG3 MET 26 1HG MET 26 -9.515 3.962 8.699 700 HE1 MET 26 3HE MET 26 -12.664 4.270 9.359 701 HE2 MET 26 1HE MET 26 -12.000 4.570 7.752 702 HE3 MET 26 2HE MET 26 -13.044 5.771 8.513 703 H GLU 27 H GLU 27 -11.085 0.204 10.923 704 HA GLU 27 HA GLU 27 -11.619 0.260 13.707 705 HB2 GLU 27 2HB GLU 27 -13.158 -0.772 12.064 706 HB3 GLU 27 1HB GLU 27 -11.994 -2.071 11.824 707 HG2 GLU 27 2HG GLU 27 -12.268 -2.853 14.038 708 HG3 GLU 27 1HG GLU 27 -13.171 -1.414 14.506 709 H ILE 28 H ILE 28 -9.421 -1.707 11.751 710 HA ILE 28 HA ILE 28 -8.389 -3.264 13.881 711 HB ILE 28 HB ILE 28 -7.019 -2.433 11.310 712 HG12 ILE 28 2HG1 ILE 28 -8.560 -4.952 11.976 713 HG13 ILE 28 1HG1 ILE 28 -9.165 -3.633 10.979 714 HG21 ILE 28 1HG2 ILE 28 -6.379 -4.655 13.247 715 HG22 ILE 28 2HG2 ILE 28 -5.407 -3.215 12.936 716 HG23 ILE 28 3HG2 ILE 28 -5.617 -4.428 11.673 717 HD11 ILE 28 3HD1 ILE 28 -8.390 -5.496 9.626 718 HD12 ILE 28 1HD1 ILE 28 -6.789 -5.369 10.351 719 HD13 ILE 28 2HD1 ILE 28 -7.407 -4.058 9.347 720 H ALA 29 H ALA 29 -7.654 -0.117 12.605 721 HA ALA 29 HA ALA 29 -5.236 0.394 13.939 722 HB1 ALA 29 1HB ALA 29 -6.048 1.684 12.021 723 HB2 ALA 29 2HB ALA 29 -5.662 2.728 13.390 724 HB3 ALA 29 3HB ALA 29 -7.343 2.348 13.017 725 H LYS 30 H LYS 30 -8.561 0.574 14.976 726 HA LYS 30 HA LYS 30 -8.010 2.115 17.350 727 HB2 LYS 30 2HB LYS 30 -10.419 0.396 16.704 728 HB3 LYS 30 1HB LYS 30 -10.330 1.643 17.942 729 HG2 LYS 30 2HG LYS 30 -10.222 3.368 16.322 730 HG3 LYS 30 1HG LYS 30 -9.977 2.212 15.011 731 HD2 LYS 30 2HD LYS 30 -12.246 1.279 15.530 732 HD3 LYS 30 1HD LYS 30 -12.471 2.619 16.659 733 HE2 LYS 30 2HE LYS 30 -12.223 4.219 14.865 734 HE3 LYS 30 1HE LYS 30 -11.856 2.929 13.721 735 HZ1 LYS 30 3HZ LYS 30 -14.439 3.383 15.120 736 HZ2 LYS 30 1HZ LYS 30 -14.108 2.045 14.132 737 HZ3 LYS 30 2HZ LYS 30 -14.127 3.604 13.465 738 H GLU 31 H GLU 31 -8.308 -1.203 16.415 739 HA GLU 31 HA GLU 31 -8.303 -2.428 18.938 740 HB2 GLU 31 2HB GLU 31 -8.884 -3.576 16.844 741 HB3 GLU 31 1HB GLU 31 -7.223 -3.429 16.295 742 HG2 GLU 31 2HG GLU 31 -7.620 -5.658 17.078 743 HG3 GLU 31 1HG GLU 31 -6.504 -4.842 18.173 744 H LYS 32 H LYS 32 -5.655 -1.492 16.775 745 HA LYS 32 HA LYS 32 -3.710 -2.551 18.676 746 HB2 LYS 32 2HB LYS 32 -3.715 -1.979 15.789 747 HB3 LYS 32 1HB LYS 32 -2.208 -1.610 16.615 748 HG2 LYS 32 2HG LYS 32 -1.960 -3.803 15.845 749 HG3 LYS 32 1HG LYS 32 -2.313 -3.958 17.564 750 HD2 LYS 32 2HD LYS 32 -4.666 -4.440 17.012 751 HD3 LYS 32 1HD LYS 32 -4.266 -4.341 15.294 752 HE2 LYS 32 2HE LYS 32 -2.565 -6.147 15.695 753 HE3 LYS 32 1HE LYS 32 -3.235 -6.325 17.314 754 HZ1 LYS 32 3HZ LYS 32 -4.698 -6.735 14.758 755 HZ2 LYS 32 1HZ LYS 32 -5.380 -6.868 16.306 756 HZ3 LYS 32 2HZ LYS 32 -4.172 -7.949 15.816 757 H ASN 33 H ASN 33 -5.191 0.371 18.253 758 HA ASN 33 HA ASN 33 -4.719 2.550 18.710 759 HB2 ASN 33 2HB ASN 33 -2.668 1.174 20.435 760 HB3 ASN 33 1HB ASN 33 -2.756 2.929 20.358 761 HD21 ASN 33 1HD2 ASN 33 -3.322 3.130 22.496 762 HD22 ASN 33 2HD2 ASN 33 -4.886 2.694 23.096 763 H LEU 34 H LEU 34 -3.923 1.768 16.332 764 HA LEU 34 HA LEU 34 -1.379 3.155 15.837 765 HB2 LEU 34 2HB LEU 34 -2.252 0.503 14.675 766 HB3 LEU 34 1HB LEU 34 -0.918 1.455 14.045 767 HG LEU 34 HG LEU 34 -1.049 0.283 16.825 768 HD11 LEU 34 1HD1 LEU 34 0.559 -0.574 14.425 769 HD12 LEU 34 2HD1 LEU 34 -0.831 -1.431 15.092 770 HD13 LEU 34 3HD1 LEU 34 0.647 -1.271 16.042 771 HD21 LEU 34 3HD2 LEU 34 1.312 0.936 16.946 772 HD22 LEU 34 1HD2 LEU 34 0.258 2.334 16.737 773 HD23 LEU 34 2HD2 LEU 34 1.173 1.708 15.367 774 H THR 35 H THR 35 -1.212 3.673 13.392 775 HA THR 35 HA THR 35 -3.898 4.429 12.452 776 HB THR 35 HB THR 35 -2.773 5.991 10.931 777 HG1 THR 35 1HG THR 35 -0.352 5.104 12.184 778 HG21 THR 35 3HG2 THR 35 -3.348 6.768 13.185 779 HG22 THR 35 1HG2 THR 35 -1.881 7.551 12.591 780 HG23 THR 35 2HG2 THR 35 -1.767 6.243 13.768 781 H LEU 36 H LEU 36 -4.341 4.175 10.117 782 HA LEU 36 HA LEU 36 -3.683 1.655 9.062 783 HB2 LEU 36 2HB LEU 36 -4.728 2.359 7.022 784 HB3 LEU 36 1HB LEU 36 -5.668 2.935 8.379 785 HG LEU 36 HG LEU 36 -3.714 4.717 6.945 786 HD11 LEU 36 1HD1 LEU 36 -5.620 5.540 5.633 787 HD12 LEU 36 2HD1 LEU 36 -6.626 4.259 6.310 788 HD13 LEU 36 3HD1 LEU 36 -5.254 3.851 5.281 789 HD21 LEU 36 3HD2 LEU 36 -5.224 6.481 7.802 790 HD22 LEU 36 1HD2 LEU 36 -4.457 5.548 9.086 791 HD23 LEU 36 2HD2 LEU 36 -6.141 5.243 8.659 792 H SER 37 H SER 37 -2.138 4.759 8.754 793 HA SER 37 HA SER 37 -0.245 4.180 6.803 794 HB2 SER 37 2HB SER 37 0.204 5.771 9.341 795 HB3 SER 37 1HB SER 37 1.078 5.936 7.816 796 HG SER 37 HG SER 37 -0.393 7.468 7.605 797 H ASP 38 H ASP 38 -0.210 3.550 10.297 798 HA ASP 38 HA ASP 38 2.311 2.270 10.375 799 HB2 ASP 38 2HB ASP 38 -0.069 1.978 12.219 800 HB3 ASP 38 1HB ASP 38 1.527 1.310 12.538 801 H VAL 39 H VAL 39 -0.997 1.004 10.189 802 HA VAL 39 HA VAL 39 -0.315 -1.718 10.265 803 HB VAL 39 HB VAL 39 -2.713 -0.456 8.914 804 HG11 VAL 39 1HG1 VAL 39 -2.416 -2.759 8.227 805 HG12 VAL 39 2HG1 VAL 39 -3.803 -2.624 9.308 806 HG13 VAL 39 3HG1 VAL 39 -2.275 -3.267 9.910 807 HG21 VAL 39 3HG2 VAL 39 -2.524 0.231 11.251 808 HG22 VAL 39 1HG2 VAL 39 -2.395 -1.457 11.745 809 HG23 VAL 39 2HG2 VAL 39 -3.889 -0.862 11.019 810 H CYS 40 H CYS 40 -0.458 0.574 7.622 811 HA CYS 40 HA CYS 40 -0.368 -1.297 5.516 812 HB2 CYS 40 2HB CYS 40 -0.902 1.280 5.540 813 HB3 CYS 40 1HB CYS 40 0.823 1.443 5.230 814 HG CYS 40 HG CYS 40 -0.256 -0.775 3.149 815 H ARG 41 H ARG 41 2.279 0.708 6.905 816 HA ARG 41 HA ARG 41 4.301 -0.712 5.537 817 HB2 ARG 41 2HB ARG 41 5.865 0.397 7.164 818 HB3 ARG 41 1HB ARG 41 4.856 1.472 6.215 819 HG2 ARG 41 2HG ARG 41 4.746 2.436 8.286 820 HG3 ARG 41 1HG ARG 41 3.308 1.417 8.308 821 HD2 ARG 41 2HD ARG 41 4.486 -0.275 9.578 822 HD3 ARG 41 1HD ARG 41 5.981 0.664 9.480 823 HE ARG 41 HE ARG 41 3.908 2.214 10.635 824 HH11 ARG 41 1HH1 ARG 41 6.126 -0.385 11.396 825 HH12 ARG 41 2HH1 ARG 41 6.115 -0.070 13.104 826 HH21 ARG 41 1HH2 ARG 41 3.879 2.645 12.872 827 HH22 ARG 41 2HH2 ARG 41 4.837 1.654 13.938 828 H LEU 42 H LEU 42 2.689 -1.316 8.589 829 HA LEU 42 HA LEU 42 4.526 -3.265 9.546 830 HB2 LEU 42 2HB LEU 42 1.595 -2.800 10.059 831 HB3 LEU 42 1HB LEU 42 2.465 -4.132 10.795 832 HG LEU 42 HG LEU 42 3.132 -1.208 11.162 833 HD11 LEU 42 1HD1 LEU 42 1.017 -1.833 12.222 834 HD12 LEU 42 2HD1 LEU 42 2.268 -1.510 13.422 835 HD13 LEU 42 3HD1 LEU 42 1.821 -3.173 13.040 836 HD21 LEU 42 3HD2 LEU 42 4.637 -2.019 12.911 837 HD22 LEU 42 1HD2 LEU 42 5.086 -2.663 11.332 838 HD23 LEU 42 2HD2 LEU 42 4.235 -3.684 12.491 839 H ALA 43 H ALA 43 1.825 -3.323 7.338 840 HA ALA 43 HA ALA 43 1.787 -6.149 7.034 841 HB1 ALA 43 1HB ALA 43 0.747 -4.024 5.174 842 HB2 ALA 43 2HB ALA 43 -0.151 -4.752 6.506 843 HB3 ALA 43 3HB ALA 43 0.342 -5.740 5.132 844 H ILE 44 H ILE 44 3.728 -3.584 5.760 845 HA ILE 44 HA ILE 44 4.803 -4.992 3.546 846 HB ILE 44 HB ILE 44 6.079 -2.840 5.250 847 HG12 ILE 44 2HG1 ILE 44 4.680 -2.713 2.569 848 HG13 ILE 44 1HG1 ILE 44 4.050 -2.098 4.094 849 HG21 ILE 44 1HG2 ILE 44 7.784 -4.145 4.102 850 HG22 ILE 44 2HG2 ILE 44 7.653 -2.533 3.397 851 HG23 ILE 44 3HG2 ILE 44 6.942 -3.919 2.569 852 HD11 ILE 44 3HD1 ILE 44 5.797 -0.442 4.191 853 HD12 ILE 44 1HD1 ILE 44 4.944 -0.325 2.655 854 HD13 ILE 44 2HD1 ILE 44 6.535 -1.086 2.726 855 H LYS 45 H LYS 45 5.682 -4.738 6.955 856 HA LYS 45 HA LYS 45 7.918 -6.400 6.956 857 HB2 LYS 45 2HB LYS 45 7.099 -5.043 8.889 858 HB3 LYS 45 1HB LYS 45 5.806 -6.210 9.110 859 HG2 LYS 45 2HG LYS 45 7.429 -6.760 10.703 860 HG3 LYS 45 1HG LYS 45 7.612 -7.954 9.421 861 HD2 LYS 45 2HD LYS 45 9.257 -5.512 9.186 862 HD3 LYS 45 1HD LYS 45 9.672 -6.611 10.500 863 HE2 LYS 45 2HE LYS 45 9.379 -7.444 7.619 864 HE3 LYS 45 1HE LYS 45 10.915 -7.019 8.371 865 HZ1 LYS 45 3HZ LYS 45 9.157 -9.333 8.968 866 HZ2 LYS 45 1HZ LYS 45 10.362 -8.819 10.049 867 HZ3 LYS 45 2HZ LYS 45 10.786 -9.334 8.491 868 H GLU 46 H GLU 46 4.481 -7.134 7.065 869 HA GLU 46 HA GLU 46 4.702 -9.945 7.440 870 HB2 GLU 46 2HB GLU 46 2.645 -8.533 7.844 871 HB3 GLU 46 1HB GLU 46 2.471 -8.391 6.103 872 HG2 GLU 46 2HG GLU 46 1.022 -10.091 6.557 873 HG3 GLU 46 1HG GLU 46 2.486 -10.993 6.174 874 H TYR 47 H TYR 47 4.361 -7.813 4.675 875 HA TYR 47 HA TYR 47 4.067 -9.689 2.637 876 HB2 TYR 47 2HB TYR 47 3.646 -7.243 2.465 877 HB3 TYR 47 1HB TYR 47 5.378 -6.964 2.520 878 HD1 TYR 47 2HD TYR 47 2.584 -8.163 0.484 879 HD2 TYR 47 1HD TYR 47 6.759 -7.369 0.576 880 HE1 TYR 47 2HE TYR 47 2.654 -8.295 -1.970 881 HE2 TYR 47 1HE TYR 47 6.840 -7.487 -1.877 882 HH TYR 47 HH TYR 47 4.124 -7.391 -3.816 883 H LEU 48 H LEU 48 6.924 -8.247 4.094 884 HA LEU 48 HA LEU 48 8.844 -9.472 2.419 885 HB2 LEU 48 2HB LEU 48 9.108 -8.533 5.276 886 HB3 LEU 48 1HB LEU 48 10.445 -8.930 4.213 887 HG LEU 48 HG LEU 48 8.497 -6.656 3.817 888 HD11 LEU 48 1HD1 LEU 48 11.410 -6.655 4.593 889 HD12 LEU 48 2HD1 LEU 48 10.055 -6.284 5.659 890 HD13 LEU 48 3HD1 LEU 48 10.414 -5.230 4.292 891 HD21 LEU 48 3HD2 LEU 48 10.921 -7.474 2.218 892 HD22 LEU 48 1HD2 LEU 48 9.995 -5.990 1.989 893 HD23 LEU 48 2HD2 LEU 48 9.243 -7.556 1.686 894 H ASP 49 H ASP 49 7.600 -10.333 5.628 895 HA ASP 49 HA ASP 49 9.238 -12.587 5.992 896 HB2 ASP 49 2HB ASP 49 6.709 -11.631 7.263 897 HB3 ASP 49 1HB ASP 49 7.362 -13.216 7.679 898 H ASN 50 H ASN 50 6.222 -12.219 4.279 899 HA ASN 50 HA ASN 50 5.550 -14.994 4.234 900 HB2 ASN 50 2HB ASN 50 4.733 -12.689 2.455 901 HB3 ASN 50 1HB ASN 50 4.102 -14.319 2.268 902 HD21 ASN 50 1HD2 ASN 50 2.779 -11.790 2.898 903 HD22 ASN 50 2HD2 ASN 50 1.939 -12.059 4.392 904 H HIS 51 H HIS 51 7.474 -12.877 2.210 905 HA HIS 51 HA HIS 51 7.895 -15.028 0.261 906 HB2 HIS 51 2HB HIS 51 8.832 -12.152 0.144 907 HB3 HIS 51 1HB HIS 51 8.905 -13.328 -1.161 908 HD1 HIS 51 1HD HIS 51 7.476 -10.724 -1.677 909 HD2 HIS 51 2HD HIS 51 5.549 -14.076 -0.170 910 HE1 HIS 51 1HE HIS 51 5.050 -10.408 -2.227 911 HE2 HIS 51 2HE HIS 51 3.881 -12.306 -1.060 912 H ASP 52 H ASP 52 9.181 -14.113 3.086 913 HA ASP 52 HA ASP 52 11.149 -14.180 4.166 914 HB2 ASP 52 2HB ASP 52 11.267 -16.468 3.417 915 HB3 ASP 52 1HB ASP 52 11.935 -15.972 1.866 916 H LYS 53 H LYS 53 12.773 -14.446 1.049 917 HA LYS 53 HA LYS 53 13.425 -11.609 1.046 918 HB2 LYS 53 2HB LYS 53 15.566 -13.748 1.202 919 HB3 LYS 53 1HB LYS 53 15.863 -12.050 0.867 920 HG2 LYS 53 2HG LYS 53 14.948 -11.493 3.094 921 HG3 LYS 53 1HG LYS 53 14.781 -13.218 3.423 922 HD2 LYS 53 2HD LYS 53 17.220 -13.475 3.046 923 HD3 LYS 53 1HD LYS 53 17.338 -11.725 2.856 924 HE2 LYS 53 2HE LYS 53 16.450 -11.441 5.130 925 HE3 LYS 53 1HE LYS 53 16.398 -13.192 5.315 926 HZ1 LYS 53 3HZ LYS 53 18.379 -12.451 6.329 927 HZ2 LYS 53 1HZ LYS 53 18.796 -11.474 5.004 928 HZ3 LYS 53 2HZ LYS 53 18.849 -13.160 4.861 929 H GLN 54 H GLN 54 14.518 -14.665 -0.395 930 HA GLN 54 HA GLN 54 14.566 -15.454 -2.511 931 HB2 GLN 54 2HB GLN 54 12.737 -13.134 -3.139 932 HB3 GLN 54 1HB GLN 54 13.163 -14.412 -4.270 933 HG2 GLN 54 2HG GLN 54 11.721 -14.789 -1.656 934 HG3 GLN 54 1HG GLN 54 10.977 -14.783 -3.257 935 HE21 GLN 54 1HE2 GLN 54 11.296 -16.531 -4.627 936 HE22 GLN 54 2HE2 GLN 54 11.918 -18.048 -4.061 937 H LYS 55 H LYS 55 16.532 -15.336 -3.236 938 HA LYS 55 HA LYS 55 17.710 -12.761 -3.959 939 HB2 LYS 55 2HB LYS 55 18.955 -15.515 -3.827 940 HB3 LYS 55 1HB LYS 55 19.816 -14.005 -4.094 941 HG2 LYS 55 2HG LYS 55 19.278 -13.237 -1.889 942 HG3 LYS 55 1HG LYS 55 18.234 -14.631 -1.612 943 HD2 LYS 55 2HD LYS 55 21.223 -14.691 -2.026 944 HD3 LYS 55 1HD LYS 55 20.379 -14.921 -0.494 945 HE2 LYS 55 2HE LYS 55 19.205 -16.878 -1.594 946 HE3 LYS 55 1HE LYS 55 20.366 -16.716 -2.912 947 HZ1 LYS 55 3HZ LYS 55 22.129 -16.903 -1.120 948 HZ2 LYS 55 1HZ LYS 55 21.255 -18.317 -1.472 949 HZ3 LYS 55 2HZ LYS 55 20.886 -17.416 -0.086 950 H LYS 56 H LYS 56 17.375 -12.103 -5.963 951 HA LYS 56 HA LYS 56 16.777 -14.091 -8.019 952 HB2 LYS 56 2HB LYS 56 15.135 -12.319 -7.689 953 HB3 LYS 56 1HB LYS 56 16.366 -11.097 -7.964 954 HG2 LYS 56 2HG LYS 56 16.547 -11.668 -10.254 955 HG3 LYS 56 1HG LYS 56 15.568 -13.121 -10.036 956 HD2 LYS 56 2HD LYS 56 13.608 -11.833 -9.629 957 HD3 LYS 56 1HD LYS 56 14.540 -10.340 -9.509 958 HE2 LYS 56 2HE LYS 56 14.261 -12.021 -11.998 959 HE3 LYS 56 1HE LYS 56 13.343 -10.554 -11.655 960 HZ1 LYS 56 3HZ LYS 56 15.558 -9.413 -11.451 961 HZ2 LYS 56 1HZ LYS 56 15.131 -9.912 -13.016 962 HZ3 LYS 56 2HZ LYS 56 16.258 -10.807 -12.122 Start of MODEL 20 1 H1 GLY 2 1HT GLY 2 -12.923 4.123 -16.047 2 H2 GLY 2 2HT GLY 2 -13.341 2.822 -15.038 3 H3 GLY 2 3HT GLY 2 -12.303 4.041 -14.469 4 HA2 GLY 2 1HA GLY 2 -14.059 5.659 -14.551 5 HA3 GLY 2 2HA GLY 2 -15.140 4.451 -15.232 6 H ARG 3 H ARG 3 -14.908 6.091 -12.610 7 HA ARG 3 HA ARG 3 -15.443 5.837 -10.413 8 HB2 ARG 3 2HB ARG 3 -16.730 3.351 -11.541 9 HB3 ARG 3 1HB ARG 3 -16.927 3.858 -9.871 10 HG2 ARG 3 2HG ARG 3 -17.995 5.904 -10.575 11 HG3 ARG 3 1HG ARG 3 -17.704 5.504 -12.271 12 HD2 ARG 3 2HD ARG 3 -19.134 3.571 -12.099 13 HD3 ARG 3 1HD ARG 3 -19.356 3.845 -10.372 14 HE ARG 3 HE ARG 3 -20.224 6.155 -11.499 15 HH11 ARG 3 1HH1 ARG 3 -21.032 2.775 -12.010 16 HH12 ARG 3 2HH1 ARG 3 -22.667 3.106 -12.480 17 HH21 ARG 3 1HH2 ARG 3 -22.368 6.590 -12.075 18 HH22 ARG 3 2HH2 ARG 3 -23.429 5.285 -12.530 19 HA PRO 4 HA PRO 4 -11.762 2.964 -9.751 20 HB2 PRO 4 2HB PRO 4 -11.025 5.319 -8.096 21 HB3 PRO 4 1HB PRO 4 -10.023 4.348 -9.179 22 HG2 PRO 4 2HG PRO 4 -10.815 6.789 -9.887 23 HG3 PRO 4 1HG PRO 4 -10.750 5.470 -11.074 24 HD2 PRO 4 2HD PRO 4 -13.116 6.650 -9.673 25 HD3 PRO 4 1HD PRO 4 -12.959 6.102 -11.355 26 H TYR 5 H TYR 5 -12.472 1.476 -8.406 27 HA TYR 5 HA TYR 5 -13.091 0.371 -6.541 28 HB2 TYR 5 2HB TYR 5 -12.407 2.922 -5.063 29 HB3 TYR 5 1HB TYR 5 -12.640 1.332 -4.339 30 HD1 TYR 5 1HD TYR 5 -11.066 -0.555 -5.151 31 HD2 TYR 5 2HD TYR 5 -10.279 3.581 -5.762 32 HE1 TYR 5 1HE TYR 5 -8.690 -1.065 -5.515 33 HE2 TYR 5 2HE TYR 5 -7.899 3.081 -6.121 34 HH TYR 5 HH TYR 5 -6.747 -0.050 -6.676 35 H LYS 6 H LYS 6 -14.206 3.607 -5.552 36 HA LYS 6 HA LYS 6 -16.962 2.587 -5.753 37 HB2 LYS 6 2HB LYS 6 -15.829 4.719 -3.942 38 HB3 LYS 6 1HB LYS 6 -17.545 4.399 -4.121 39 HG2 LYS 6 2HG LYS 6 -15.604 2.290 -3.234 40 HG3 LYS 6 1HG LYS 6 -16.379 3.408 -2.113 41 HD2 LYS 6 2HD LYS 6 -17.831 1.624 -2.026 42 HD3 LYS 6 1HD LYS 6 -18.573 2.607 -3.288 43 HE2 LYS 6 2HE LYS 6 -18.586 0.402 -4.108 44 HE3 LYS 6 1HE LYS 6 -17.264 1.212 -4.948 45 HZ1 LYS 6 3HZ LYS 6 -15.722 0.222 -3.322 46 HZ2 LYS 6 1HZ LYS 6 -16.564 -0.951 -4.218 47 HZ3 LYS 6 2HZ LYS 6 -17.020 -0.615 -2.622 48 H LEU 7 H LEU 7 -15.968 5.932 -5.348 49 HA LEU 7 HA LEU 7 -16.435 6.501 -8.174 50 HB2 LEU 7 2HB LEU 7 -18.612 6.810 -7.049 51 HB3 LEU 7 1HB LEU 7 -17.865 7.931 -5.928 52 HG LEU 7 HG LEU 7 -17.388 9.469 -7.801 53 HD11 LEU 7 1HD1 LEU 7 -18.402 9.094 -9.976 54 HD12 LEU 7 2HD1 LEU 7 -18.992 7.520 -9.447 55 HD13 LEU 7 3HD1 LEU 7 -17.257 7.808 -9.593 56 HD21 LEU 7 3HD2 LEU 7 -19.414 9.747 -6.485 57 HD22 LEU 7 1HD2 LEU 7 -20.274 8.634 -7.550 58 HD23 LEU 7 2HD2 LEU 7 -19.699 10.182 -8.171 59 H LEU 8 H LEU 8 -14.146 6.755 -8.087 60 HA LEU 8 HA LEU 8 -12.208 7.922 -7.980 61 HB2 LEU 8 2HB LEU 8 -14.196 10.146 -7.655 62 HB3 LEU 8 1HB LEU 8 -12.479 10.469 -7.532 63 HG LEU 8 HG LEU 8 -13.189 11.004 -9.749 64 HD11 LEU 8 1HD1 LEU 8 -11.717 8.379 -9.755 65 HD12 LEU 8 2HD1 LEU 8 -11.000 9.977 -9.546 66 HD13 LEU 8 3HD1 LEU 8 -11.761 9.545 -11.077 67 HD21 LEU 8 3HD2 LEU 8 -15.230 9.687 -9.851 68 HD22 LEU 8 1HD2 LEU 8 -14.283 8.200 -9.925 69 HD23 LEU 8 2HD2 LEU 8 -14.207 9.361 -11.251 70 H ASN 9 H ASN 9 -13.232 6.637 -5.610 71 HA ASN 9 HA ASN 9 -12.577 8.407 -3.415 72 HB2 ASN 9 2HB ASN 9 -13.519 5.543 -3.488 73 HB3 ASN 9 1HB ASN 9 -13.083 6.375 -1.997 74 HD21 ASN 9 1HD2 ASN 9 -14.394 8.056 -1.248 75 HD22 ASN 9 2HD2 ASN 9 -16.000 8.288 -1.837 76 H GLY 10 H GLY 10 -10.590 8.766 -2.947 77 HA2 GLY 10 2HA GLY 10 -8.786 6.607 -2.329 78 HA3 GLY 10 1HA GLY 10 -8.291 7.583 -3.713 79 H ILE 11 H ILE 11 -7.843 7.241 -0.513 80 HA ILE 11 HA ILE 11 -7.885 10.135 0.052 81 HB ILE 11 HB ILE 11 -7.876 7.948 2.124 82 HG12 ILE 11 2HG1 ILE 11 -9.868 7.670 0.704 83 HG13 ILE 11 1HG1 ILE 11 -10.297 8.210 2.324 84 HG21 ILE 11 1HG2 ILE 11 -8.647 10.857 2.238 85 HG22 ILE 11 2HG2 ILE 11 -7.195 10.129 2.926 86 HG23 ILE 11 3HG2 ILE 11 -8.782 9.715 3.574 87 HD11 ILE 11 3HD1 ILE 11 -10.547 10.493 1.488 88 HD12 ILE 11 1HD1 ILE 11 -11.620 9.362 0.664 89 HD13 ILE 11 2HD1 ILE 11 -10.156 9.933 -0.138 90 H LYS 12 H LYS 12 -6.163 11.013 1.310 91 HA LYS 12 HA LYS 12 -3.627 9.747 0.571 92 HB2 LYS 12 2HB LYS 12 -4.088 11.985 -0.314 93 HB3 LYS 12 1HB LYS 12 -4.287 12.603 1.320 94 HG2 LYS 12 2HG LYS 12 -2.149 13.272 0.676 95 HG3 LYS 12 1HG LYS 12 -1.879 11.867 1.707 96 HD2 LYS 12 2HD LYS 12 -1.515 10.461 -0.194 97 HD3 LYS 12 1HD LYS 12 -2.000 11.750 -1.300 98 HE2 LYS 12 2HE LYS 12 -0.086 13.097 -0.484 99 HE3 LYS 12 1HE LYS 12 0.424 11.722 0.494 100 HZ1 LYS 12 3HZ LYS 12 1.664 11.766 -1.540 101 HZ2 LYS 12 1HZ LYS 12 0.249 11.826 -2.473 102 HZ3 LYS 12 2HZ LYS 12 0.621 10.434 -1.582 103 H LEU 13 H LEU 13 -2.563 8.747 2.088 104 HA LEU 13 HA LEU 13 -2.757 9.674 4.874 105 HB2 LEU 13 2HB LEU 13 -2.253 7.261 5.462 106 HB3 LEU 13 1HB LEU 13 -3.848 7.585 4.815 107 HG LEU 13 HG LEU 13 -1.712 6.690 2.928 108 HD11 LEU 13 1HD1 LEU 13 -2.203 4.360 3.405 109 HD12 LEU 13 2HD1 LEU 13 -3.275 4.836 4.722 110 HD13 LEU 13 3HD1 LEU 13 -1.543 5.153 4.836 111 HD21 LEU 13 3HD2 LEU 13 -4.692 6.237 3.130 112 HD22 LEU 13 1HD2 LEU 13 -3.653 5.598 1.856 113 HD23 LEU 13 2HD2 LEU 13 -3.870 7.343 2.023 114 H GLY 14 H GLY 14 -0.879 9.851 6.028 115 HA2 GLY 14 2HA GLY 14 1.568 9.678 4.397 116 HA3 GLY 14 1HA GLY 14 1.339 10.741 5.777 117 H VAL 15 H VAL 15 2.888 8.041 4.786 118 HA VAL 15 HA VAL 15 2.860 6.813 7.461 119 HB VAL 15 HB VAL 15 3.988 5.650 4.894 120 HG11 VAL 15 1HG1 VAL 15 5.009 4.744 6.917 121 HG12 VAL 15 2HG1 VAL 15 4.011 3.540 6.105 122 HG13 VAL 15 3HG1 VAL 15 3.410 4.352 7.551 123 HG21 VAL 15 3HG2 VAL 15 2.006 4.224 4.842 124 HG22 VAL 15 1HG2 VAL 15 1.579 5.928 4.698 125 HG23 VAL 15 2HG2 VAL 15 1.346 5.087 6.230 126 H TYR 16 H TYR 16 4.951 6.221 8.403 127 HA TYR 16 HA TYR 16 7.204 7.794 7.355 128 HB2 TYR 16 2HB TYR 16 6.073 7.714 10.095 129 HB3 TYR 16 1HB TYR 16 7.828 7.721 9.969 130 HD1 TYR 16 1HD TYR 16 8.753 9.503 8.243 131 HD2 TYR 16 2HD TYR 16 5.015 9.772 10.239 132 HE1 TYR 16 1HE TYR 16 8.763 11.924 7.890 133 HE2 TYR 16 2HE TYR 16 5.005 12.206 9.900 134 HH TYR 16 HH TYR 16 6.626 14.018 9.517 135 H ILE 17 H ILE 17 8.852 6.554 6.792 136 HA ILE 17 HA ILE 17 9.252 4.012 8.221 137 HB ILE 17 HB ILE 17 9.703 2.833 6.165 138 HG12 ILE 17 2HG1 ILE 17 9.044 5.406 4.721 139 HG13 ILE 17 1HG1 ILE 17 10.653 4.705 4.873 140 HG21 ILE 17 1HG2 ILE 17 7.390 2.887 6.916 141 HG22 ILE 17 2HG2 ILE 17 7.472 2.837 5.156 142 HG23 ILE 17 3HG2 ILE 17 7.108 4.353 5.979 143 HD11 ILE 17 3HD1 ILE 17 9.684 4.238 2.694 144 HD12 ILE 17 1HD1 ILE 17 8.309 3.446 3.462 145 HD13 ILE 17 2HD1 ILE 17 9.923 2.751 3.609 146 HA PRO 18 HA PRO 18 13.550 5.111 8.654 147 HB2 PRO 18 2HB PRO 18 14.007 2.235 8.042 148 HB3 PRO 18 1HB PRO 18 14.563 3.194 9.418 149 HG2 PRO 18 2HG PRO 18 12.573 1.453 9.703 150 HG3 PRO 18 1HG PRO 18 12.531 3.022 10.529 151 HD2 PRO 18 2HD PRO 18 11.059 2.115 8.093 152 HD3 PRO 18 1HD PRO 18 10.514 3.161 9.421 153 H GLN 19 H GLN 19 15.498 5.238 7.419 154 HA GLN 19 HA GLN 19 14.850 5.730 4.684 155 HB2 GLN 19 2HB GLN 19 17.063 6.735 4.530 156 HB3 GLN 19 1HB GLN 19 16.206 7.304 5.956 157 HG2 GLN 19 2HG GLN 19 17.517 5.905 7.383 158 HG3 GLN 19 1HG GLN 19 18.256 5.106 5.995 159 HE21 GLN 19 1HE2 GLN 19 18.559 7.567 4.487 160 HE22 GLN 19 2HE2 GLN 19 19.876 8.425 5.224 161 H GLU 20 H GLU 20 17.025 3.418 6.310 162 HA GLU 20 HA GLU 20 18.200 2.427 3.939 163 HB2 GLU 20 2HB GLU 20 18.776 0.417 5.291 164 HB3 GLU 20 1HB GLU 20 19.259 1.938 6.027 165 HG2 GLU 20 2HG GLU 20 16.654 0.708 6.760 166 HG3 GLU 20 1HG GLU 20 18.147 0.077 7.450 167 H TRP 21 H TRP 21 15.273 1.686 5.619 168 HA TRP 21 HA TRP 21 14.632 -0.622 4.011 169 HB2 TRP 21 2HB TRP 21 14.038 -0.479 6.398 170 HB3 TRP 21 1HB TRP 21 13.055 0.940 6.072 171 HD1 TRP 21 HD TRP 21 13.033 -2.597 4.414 172 HE1 TRP 21 1HE TRP 21 10.601 -3.452 4.501 173 HE3 TRP 21 3HE TRP 21 10.885 1.305 6.885 174 HZ2 TRP 21 2HZ TRP 21 8.110 -2.585 5.494 175 HZ3 TRP 21 3HZ TRP 21 8.478 1.218 7.370 176 HH2 TRP 21 HH TRP 21 7.107 -0.685 6.691 177 H HIS 22 H HIS 22 13.958 2.766 4.160 178 HA HIS 22 HA HIS 22 11.893 2.997 2.263 179 HB2 HIS 22 2HB HIS 22 12.686 4.810 3.785 180 HB3 HIS 22 1HB HIS 22 14.177 4.909 2.859 181 HD1 HIS 22 1HD HIS 22 14.176 6.428 0.852 182 HD2 HIS 22 2HD HIS 22 10.365 5.740 2.378 183 HE1 HIS 22 1HE HIS 22 12.671 8.080 -0.306 184 HE2 HIS 22 2HE HIS 22 10.421 7.793 0.801 185 H ASP 23 H ASP 23 15.418 3.190 1.960 186 HA ASP 23 HA ASP 23 15.553 3.688 -0.792 187 HB2 ASP 23 2HB ASP 23 17.421 4.046 0.766 188 HB3 ASP 23 1HB ASP 23 17.575 2.306 0.982 189 H ARG 24 H ARG 24 15.615 0.612 0.980 190 HA ARG 24 HA ARG 24 16.202 -0.923 -1.356 191 HB2 ARG 24 2HB ARG 24 15.633 -1.479 1.482 192 HB3 ARG 24 1HB ARG 24 15.170 -2.754 0.363 193 HG2 ARG 24 2HG ARG 24 17.458 -2.981 1.333 194 HG3 ARG 24 1HG ARG 24 17.395 -2.986 -0.429 195 HD2 ARG 24 2HD ARG 24 18.078 -0.656 -0.477 196 HD3 ARG 24 1HD ARG 24 18.085 -0.600 1.285 197 HE ARG 24 HE ARG 24 19.789 -2.655 0.620 198 HH11 ARG 24 1HH1 ARG 24 19.615 0.742 -0.251 199 HH12 ARG 24 2HH1 ARG 24 21.340 0.947 -0.264 200 HH21 ARG 24 1HH2 ARG 24 22.037 -2.399 0.544 201 HH22 ARG 24 2HH2 ARG 24 22.718 -0.850 0.161 202 H LEU 25 H LEU 25 13.216 -0.094 0.338 203 HA LEU 25 HA LEU 25 11.555 -1.741 -1.261 204 HB2 LEU 25 2HB LEU 25 11.139 0.483 0.643 205 HB3 LEU 25 1HB LEU 25 9.864 0.218 -0.532 206 HG LEU 25 HG LEU 25 9.448 -0.954 1.609 207 HD11 LEU 25 1HD1 LEU 25 8.454 -1.826 -0.420 208 HD12 LEU 25 2HD1 LEU 25 8.931 -3.149 0.643 209 HD13 LEU 25 3HD1 LEU 25 9.917 -2.749 -0.764 210 HD21 LEU 25 3HD2 LEU 25 11.915 -2.516 0.861 211 HD22 LEU 25 1HD2 LEU 25 10.787 -2.952 2.144 212 HD23 LEU 25 2HD2 LEU 25 11.724 -1.462 2.262 213 H MET 26 H MET 26 12.865 1.478 -1.654 214 HA MET 26 HA MET 26 11.289 2.230 -3.869 215 HB2 MET 26 2HB MET 26 14.037 3.087 -2.990 216 HB3 MET 26 1HB MET 26 13.229 3.778 -4.389 217 HG2 MET 26 2HG MET 26 11.375 4.486 -2.939 218 HG3 MET 26 1HG MET 26 12.251 3.854 -1.545 219 HE1 MET 26 3HE MET 26 13.691 5.668 -4.698 220 HE2 MET 26 1HE MET 26 13.776 7.343 -4.154 221 HE3 MET 26 2HE MET 26 12.208 6.572 -4.396 222 H GLU 27 H GLU 27 14.347 0.468 -3.640 223 HA GLU 27 HA GLU 27 14.765 0.324 -6.437 224 HB2 GLU 27 2HB GLU 27 16.578 -0.098 -4.841 225 HB3 GLU 27 1HB GLU 27 15.746 -1.538 -4.268 226 HG2 GLU 27 2HG GLU 27 16.041 -2.631 -6.368 227 HG3 GLU 27 1HG GLU 27 16.669 -1.157 -7.102 228 H ILE 28 H ILE 28 13.140 -1.795 -4.128 229 HA ILE 28 HA ILE 28 12.436 -3.825 -5.968 230 HB ILE 28 HB ILE 28 10.961 -2.925 -3.478 231 HG12 ILE 28 2HG1 ILE 28 12.948 -5.176 -3.884 232 HG13 ILE 28 1HG1 ILE 28 13.306 -3.641 -3.099 233 HG21 ILE 28 1HG2 ILE 28 9.524 -4.227 -4.970 234 HG22 ILE 28 2HG2 ILE 28 9.912 -5.131 -3.506 235 HG23 ILE 28 3HG2 ILE 28 10.734 -5.508 -5.020 236 HD11 ILE 28 3HD1 ILE 28 11.305 -5.670 -2.129 237 HD12 ILE 28 1HD1 ILE 28 11.732 -4.157 -1.330 238 HD13 ILE 28 2HD1 ILE 28 12.933 -5.438 -1.491 239 H ALA 29 H ALA 29 10.911 -0.809 -5.019 240 HA ALA 29 HA ALA 29 8.509 -1.093 -6.476 241 HB1 ALA 29 1HB ALA 29 8.781 0.522 -4.662 242 HB2 ALA 29 2HB ALA 29 8.259 1.312 -6.150 243 HB3 ALA 29 3HB ALA 29 9.943 1.425 -5.635 244 H LYS 30 H LYS 30 11.714 -0.078 -7.349 245 HA LYS 30 HA LYS 30 10.990 1.209 -9.801 246 HB2 LYS 30 2HB LYS 30 13.074 1.675 -8.486 247 HB3 LYS 30 1HB LYS 30 13.663 0.080 -8.949 248 HG2 LYS 30 2HG LYS 30 13.428 0.843 -11.351 249 HG3 LYS 30 1HG LYS 30 13.195 2.469 -10.706 250 HD2 LYS 30 2HD LYS 30 15.597 0.697 -10.258 251 HD3 LYS 30 1HD LYS 30 15.529 2.114 -11.307 252 HE2 LYS 30 2HE LYS 30 15.171 3.554 -9.401 253 HE3 LYS 30 1HE LYS 30 15.072 2.161 -8.326 254 HZ1 LYS 30 3HZ LYS 30 17.470 2.979 -9.877 255 HZ2 LYS 30 1HZ LYS 30 17.376 1.647 -8.831 256 HZ3 LYS 30 2HZ LYS 30 17.243 3.222 -8.215 257 H GLU 31 H GLU 31 12.062 -1.943 -8.801 258 HA GLU 31 HA GLU 31 12.512 -3.070 -11.340 259 HB2 GLU 31 2HB GLU 31 13.312 -3.950 -9.123 260 HB3 GLU 31 1HB GLU 31 11.673 -4.506 -8.817 261 HG2 GLU 31 2HG GLU 31 13.065 -6.317 -9.604 262 HG3 GLU 31 1HG GLU 31 11.797 -5.954 -10.777 263 H LYS 32 H LYS 32 9.638 -2.924 -9.267 264 HA LYS 32 HA LYS 32 8.161 -4.584 -11.162 265 HB2 LYS 32 2HB LYS 32 7.636 -3.766 -8.324 266 HB3 LYS 32 1HB LYS 32 6.338 -4.395 -9.327 267 HG2 LYS 32 2HG LYS 32 7.167 -6.228 -8.106 268 HG3 LYS 32 1HG LYS 32 7.794 -6.412 -9.743 269 HD2 LYS 32 2HD LYS 32 9.921 -5.376 -8.987 270 HD3 LYS 32 1HD LYS 32 9.282 -5.365 -7.342 271 HE2 LYS 32 2HE LYS 32 9.704 -7.808 -9.058 272 HE3 LYS 32 1HE LYS 32 10.754 -7.285 -7.744 273 HZ1 LYS 32 3HZ LYS 32 7.919 -8.155 -7.489 274 HZ2 LYS 32 1HZ LYS 32 8.876 -7.582 -6.213 275 HZ3 LYS 32 2HZ LYS 32 9.292 -9.024 -6.999 276 H ASN 33 H ASN 33 8.720 -1.380 -10.843 277 HA ASN 33 HA ASN 33 7.775 0.505 -11.677 278 HB2 ASN 33 2HB ASN 33 6.014 -1.505 -13.063 279 HB3 ASN 33 1HB ASN 33 5.777 0.229 -13.260 280 HD21 ASN 33 1HD2 ASN 33 7.384 1.456 -14.264 281 HD22 ASN 33 2HD2 ASN 33 8.562 0.715 -15.295 282 H LEU 34 H LEU 34 7.257 0.154 -9.199 283 HA LEU 34 HA LEU 34 4.494 1.075 -8.836 284 HB2 LEU 34 2HB LEU 34 6.000 -0.865 -7.066 285 HB3 LEU 34 1HB LEU 34 4.473 -0.112 -6.641 286 HG LEU 34 HG LEU 34 4.849 -1.949 -9.006 287 HD11 LEU 34 1HD1 LEU 34 5.232 -3.159 -6.925 288 HD12 LEU 34 2HD1 LEU 34 3.697 -3.631 -7.654 289 HD13 LEU 34 3HD1 LEU 34 3.718 -2.536 -6.271 290 HD21 LEU 34 3HD2 LEU 34 2.399 -2.025 -8.978 291 HD22 LEU 34 1HD2 LEU 34 3.002 -0.390 -9.252 292 HD23 LEU 34 2HD2 LEU 34 2.383 -0.846 -7.664 293 H THR 35 H THR 35 4.340 2.359 -6.737 294 HA THR 35 HA THR 35 6.926 3.634 -6.161 295 HB THR 35 HB THR 35 5.662 5.448 -5.107 296 HG1 THR 35 1HG THR 35 3.292 4.108 -5.989 297 HG21 THR 35 3HG2 THR 35 4.620 4.757 -7.857 298 HG22 THR 35 1HG2 THR 35 6.102 5.640 -7.494 299 HG23 THR 35 2HG2 THR 35 4.535 6.349 -7.102 300 H LEU 36 H LEU 36 7.289 4.206 -3.822 301 HA LEU 36 HA LEU 36 7.141 1.988 -2.145 302 HB2 LEU 36 2HB LEU 36 7.800 3.452 -0.334 303 HB3 LEU 36 1HB LEU 36 8.715 3.823 -1.778 304 HG LEU 36 HG LEU 36 6.334 5.444 -0.872 305 HD11 LEU 36 1HD1 LEU 36 8.077 5.480 0.837 306 HD12 LEU 36 2HD1 LEU 36 7.951 7.036 0.015 307 HD13 LEU 36 3HD1 LEU 36 9.267 5.932 -0.383 308 HD21 LEU 36 3HD2 LEU 36 8.545 5.958 -2.859 309 HD22 LEU 36 1HD2 LEU 36 7.399 7.178 -2.307 310 HD23 LEU 36 2HD2 LEU 36 6.825 5.775 -3.202 311 H SER 37 H SER 37 4.978 4.738 -2.485 312 HA SER 37 HA SER 37 3.160 4.169 -0.458 313 HB2 SER 37 2HB SER 37 2.479 5.266 -3.197 314 HB3 SER 37 1HB SER 37 1.631 5.566 -1.680 315 HG SER 37 HG SER 37 2.884 7.274 -1.663 316 H ASP 38 H ASP 38 3.318 2.978 -3.803 317 HA ASP 38 HA ASP 38 0.933 1.481 -3.746 318 HB2 ASP 38 2HB ASP 38 3.431 1.182 -5.416 319 HB3 ASP 38 1HB ASP 38 2.025 0.145 -5.622 320 H VAL 39 H VAL 39 4.304 0.511 -3.153 321 HA VAL 39 HA VAL 39 3.731 -2.226 -2.729 322 HB VAL 39 HB VAL 39 6.055 -0.659 -1.599 323 HG11 VAL 39 1HG1 VAL 39 7.219 -2.832 -1.673 324 HG12 VAL 39 2HG1 VAL 39 5.709 -3.599 -2.166 325 HG13 VAL 39 3HG1 VAL 39 5.836 -2.838 -0.580 326 HG21 VAL 39 3HG2 VAL 39 7.287 -1.331 -3.597 327 HG22 VAL 39 1HG2 VAL 39 5.893 -0.333 -4.012 328 HG23 VAL 39 2HG2 VAL 39 5.829 -2.080 -4.250 329 H CYS 40 H CYS 40 3.817 0.539 -0.543 330 HA CYS 40 HA CYS 40 3.621 -0.977 1.848 331 HB2 CYS 40 2HB CYS 40 4.268 1.539 1.463 332 HB3 CYS 40 1HB CYS 40 2.536 1.831 1.587 333 HG CYS 40 HG CYS 40 3.500 -0.029 4.104 334 H ARG 41 H ARG 41 1.154 0.848 0.032 335 HA ARG 41 HA ARG 41 -1.110 -0.067 1.289 336 HB2 ARG 41 2HB ARG 41 -1.268 1.665 -0.360 337 HB3 ARG 41 1HB ARG 41 -0.640 0.609 -1.617 338 HG2 ARG 41 2HG ARG 41 -3.069 -0.377 -0.321 339 HG3 ARG 41 1HG ARG 41 -3.266 1.148 -1.185 340 HD2 ARG 41 2HD ARG 41 -1.787 -1.031 -2.549 341 HD3 ARG 41 1HD ARG 41 -3.531 -1.213 -2.374 342 HE ARG 41 HE ARG 41 -2.256 1.116 -3.695 343 HH11 ARG 41 1HH1 ARG 41 -4.759 -1.337 -3.502 344 HH12 ARG 41 2HH1 ARG 41 -5.642 -0.719 -4.861 345 HH21 ARG 41 1HH2 ARG 41 -3.428 1.929 -5.493 346 HH22 ARG 41 2HH2 ARG 41 -4.901 1.140 -5.976 347 H LEU 42 H LEU 42 0.597 -1.596 -1.438 348 HA LEU 42 HA LEU 42 -1.175 -3.802 -1.650 349 HB2 LEU 42 2HB LEU 42 1.698 -3.536 -2.545 350 HB3 LEU 42 1HB LEU 42 0.619 -4.840 -3.003 351 HG LEU 42 HG LEU 42 0.207 -1.927 -3.687 352 HD11 LEU 42 1HD1 LEU 42 1.136 -4.238 -5.389 353 HD12 LEU 42 2HD1 LEU 42 2.109 -2.862 -4.873 354 HD13 LEU 42 3HD1 LEU 42 0.755 -2.619 -5.975 355 HD21 LEU 42 3HD2 LEU 42 -1.558 -2.773 -5.167 356 HD22 LEU 42 1HD2 LEU 42 -1.895 -3.139 -3.474 357 HD23 LEU 42 2HD2 LEU 42 -1.293 -4.403 -4.547 358 H ALA 43 H ALA 43 1.373 -3.033 0.486 359 HA ALA 43 HA ALA 43 1.978 -5.654 1.360 360 HB1 ALA 43 1HB ALA 43 3.457 -3.755 1.796 361 HB2 ALA 43 2HB ALA 43 3.003 -4.590 3.283 362 HB3 ALA 43 3HB ALA 43 2.235 -3.059 2.861 363 H ILE 44 H ILE 44 -0.402 -3.207 2.276 364 HA ILE 44 HA ILE 44 -1.527 -4.646 4.462 365 HB ILE 44 HB ILE 44 -2.965 -2.696 2.636 366 HG12 ILE 44 2HG1 ILE 44 -1.400 -2.222 5.181 367 HG13 ILE 44 1HG1 ILE 44 -1.088 -1.540 3.589 368 HG21 ILE 44 1HG2 ILE 44 -3.613 -3.656 5.419 369 HG22 ILE 44 2HG2 ILE 44 -4.479 -4.065 3.936 370 HG23 ILE 44 3HG2 ILE 44 -4.493 -2.406 4.537 371 HD11 ILE 44 3HD1 ILE 44 -2.076 0.115 5.054 372 HD12 ILE 44 1HD1 ILE 44 -3.477 -0.928 5.308 373 HD13 ILE 44 2HD1 ILE 44 -3.152 -0.261 3.707 374 H LYS 45 H LYS 45 -2.159 -4.481 1.018 375 HA LYS 45 HA LYS 45 -4.352 -6.191 0.883 376 HB2 LYS 45 2HB LYS 45 -3.741 -4.867 -1.023 377 HB3 LYS 45 1HB LYS 45 -2.158 -5.623 -1.110 378 HG2 LYS 45 2HG LYS 45 -3.097 -7.683 -1.838 379 HG3 LYS 45 1HG LYS 45 -4.736 -7.109 -1.529 380 HD2 LYS 45 2HD LYS 45 -4.537 -5.472 -3.291 381 HD3 LYS 45 1HD LYS 45 -2.842 -5.897 -3.541 382 HE2 LYS 45 2HE LYS 45 -5.085 -7.879 -3.845 383 HE3 LYS 45 1HE LYS 45 -4.513 -6.877 -5.177 384 HZ1 LYS 45 3HZ LYS 45 -3.533 -9.206 -4.896 385 HZ2 LYS 45 1HZ LYS 45 -2.632 -8.543 -3.624 386 HZ3 LYS 45 2HZ LYS 45 -2.466 -7.929 -5.197 387 H GLU 46 H GLU 46 -0.886 -6.887 0.876 388 HA GLU 46 HA GLU 46 -1.149 -9.695 0.455 389 HB2 GLU 46 2HB GLU 46 0.918 -8.256 0.066 390 HB3 GLU 46 1HB GLU 46 1.138 -8.254 1.808 391 HG2 GLU 46 2HG GLU 46 2.558 -9.925 1.035 392 HG3 GLU 46 1HG GLU 46 1.150 -10.794 1.644 393 H TYR 47 H TYR 47 -1.037 -7.545 3.181 394 HA TYR 47 HA TYR 47 -0.743 -9.393 5.258 395 HB2 TYR 47 2HB TYR 47 -0.633 -6.803 5.272 396 HB3 TYR 47 1HB TYR 47 -2.379 -6.870 5.458 397 HD1 TYR 47 1HD TYR 47 0.798 -7.942 7.017 398 HD2 TYR 47 2HD TYR 47 -3.339 -7.161 7.595 399 HE1 TYR 47 1HE TYR 47 1.116 -8.121 9.441 400 HE2 TYR 47 2HE TYR 47 -3.036 -7.343 10.033 401 HH TYR 47 HH TYR 47 0.082 -7.400 11.479 402 H LEU 48 H LEU 48 -3.616 -7.950 3.784 403 HA LEU 48 HA LEU 48 -5.506 -9.402 5.319 404 HB2 LEU 48 2HB LEU 48 -5.855 -8.124 2.605 405 HB3 LEU 48 1HB LEU 48 -7.143 -8.603 3.694 406 HG LEU 48 HG LEU 48 -5.119 -6.418 4.197 407 HD11 LEU 48 1HD1 LEU 48 -6.749 -5.794 2.512 408 HD12 LEU 48 2HD1 LEU 48 -7.051 -4.918 4.011 409 HD13 LEU 48 3HD1 LEU 48 -8.068 -6.291 3.573 410 HD21 LEU 48 3HD2 LEU 48 -7.448 -7.362 5.867 411 HD22 LEU 48 1HD2 LEU 48 -6.500 -5.906 6.170 412 HD23 LEU 48 2HD2 LEU 48 -5.737 -7.492 6.275 413 H ASP 49 H ASP 49 -4.134 -9.876 2.088 414 HA ASP 49 HA ASP 49 -5.846 -11.876 1.181 415 HB2 ASP 49 2HB ASP 49 -4.145 -10.573 -0.152 416 HB3 ASP 49 1HB ASP 49 -2.913 -11.647 0.495 417 H ASN 50 H ASN 50 -2.728 -12.214 2.856 418 HA ASN 50 HA ASN 50 -2.835 -15.084 2.680 419 HB2 ASN 50 2HB ASN 50 -0.909 -13.205 4.044 420 HB3 ASN 50 1HB ASN 50 -0.731 -14.963 4.062 421 HD21 ASN 50 1HD2 ASN 50 -0.618 -12.090 2.159 422 HD22 ASN 50 2HD2 ASN 50 0.147 -12.777 0.763 423 H HIS 51 H HIS 51 -3.992 -12.774 4.920 424 HA HIS 51 HA HIS 51 -4.078 -14.720 7.095 425 HB2 HIS 51 2HB HIS 51 -4.996 -11.842 6.947 426 HB3 HIS 51 1HB HIS 51 -5.226 -12.866 8.359 427 HD1 HIS 51 1HD HIS 51 -3.736 -10.633 9.218 428 HD2 HIS 51 2HD HIS 51 -1.792 -13.662 7.125 429 HE1 HIS 51 1HE HIS 51 -1.287 -10.374 9.756 430 HE2 HIS 51 2HE HIS 51 -0.113 -12.055 8.285 431 H ASP 52 H ASP 52 -6.198 -13.031 4.870 432 HA ASP 52 HA ASP 52 -8.516 -14.542 5.806 433 HB2 ASP 52 2HB ASP 52 -8.783 -12.134 5.340 434 HB3 ASP 52 1HB ASP 52 -8.262 -12.396 3.681 435 H LYS 53 H LYS 53 -7.804 -16.586 5.154 436 HA LYS 53 HA LYS 53 -6.898 -17.093 2.480 437 HB2 LYS 53 2HB LYS 53 -7.608 -18.972 4.735 438 HB3 LYS 53 1HB LYS 53 -6.849 -19.457 3.227 439 HG2 LYS 53 2HG LYS 53 -4.911 -18.055 3.757 440 HG3 LYS 53 1HG LYS 53 -5.674 -17.590 5.278 441 HD2 LYS 53 2HD LYS 53 -4.026 -19.365 5.615 442 HD3 LYS 53 1HD LYS 53 -5.656 -19.917 6.010 443 HE2 LYS 53 2HE LYS 53 -4.482 -21.630 4.757 444 HE3 LYS 53 1HE LYS 53 -5.812 -20.981 3.799 445 HZ1 LYS 53 3HZ LYS 53 -2.933 -20.294 3.511 446 HZ2 LYS 53 1HZ LYS 53 -4.193 -19.569 2.631 447 HZ3 LYS 53 2HZ LYS 53 -3.864 -21.222 2.438 448 H GLN 54 H GLN 54 -9.725 -18.200 4.354 449 HA GLN 54 HA GLN 54 -11.754 -19.024 3.742 450 HB2 GLN 54 2HB GLN 54 -11.257 -17.566 1.137 451 HB3 GLN 54 1HB GLN 54 -12.805 -18.167 1.705 452 HG2 GLN 54 2HG GLN 54 -12.642 -16.616 3.629 453 HG3 GLN 54 1HG GLN 54 -11.173 -15.952 2.916 454 HE21 GLN 54 1HE2 GLN 54 -12.052 -13.906 2.647 455 HE22 GLN 54 2HE2 GLN 54 -13.275 -13.574 1.464 456 H LYS 55 H LYS 55 -12.881 -20.243 1.747 457 HA LYS 55 HA LYS 55 -12.919 -21.868 0.170 458 HB2 LYS 55 2HB LYS 55 -10.111 -20.894 -0.356 459 HB3 LYS 55 1HB LYS 55 -10.999 -21.998 -1.399 460 HG2 LYS 55 2HG LYS 55 -12.606 -20.323 -1.939 461 HG3 LYS 55 1HG LYS 55 -11.963 -19.234 -0.706 462 HD2 LYS 55 2HD LYS 55 -11.247 -18.612 -2.976 463 HD3 LYS 55 1HD LYS 55 -9.887 -19.022 -1.928 464 HE2 LYS 55 2HE LYS 55 -9.558 -20.011 -4.103 465 HE3 LYS 55 1HE LYS 55 -9.846 -21.280 -2.916 466 HZ1 LYS 55 3HZ LYS 55 -11.876 -20.192 -4.793 467 HZ2 LYS 55 1HZ LYS 55 -12.125 -21.449 -3.679 468 HZ3 LYS 55 2HZ LYS 55 -11.057 -21.661 -4.979 469 H LYS 56 H LYS 56 -12.346 -22.786 2.765 470 HA LYS 56 HA LYS 56 -10.384 -24.911 2.299 471 HB2 LYS 56 2HB LYS 56 -11.920 -24.161 4.789 472 HB3 LYS 56 1HB LYS 56 -10.818 -25.527 4.682 473 HG2 LYS 56 2HG LYS 56 -9.021 -23.876 4.060 474 HG3 LYS 56 1HG LYS 56 -10.164 -22.600 4.494 475 HD2 LYS 56 2HD LYS 56 -9.151 -24.796 6.304 476 HD3 LYS 56 1HD LYS 56 -8.694 -23.092 6.368 477 HE2 LYS 56 2HE LYS 56 -10.979 -22.480 6.928 478 HE3 LYS 56 1HE LYS 56 -11.481 -24.165 6.791 479 HZ1 LYS 56 3HZ LYS 56 -9.611 -23.023 8.798 480 HZ2 LYS 56 1HZ LYS 56 -9.925 -24.681 8.619 481 HZ3 LYS 56 2HZ LYS 56 -11.165 -23.633 9.083 482 H1 GLY 2 1HT GLY 2 18.431 6.177 23.647 483 H2 GLY 2 2HT GLY 2 18.780 6.738 22.088 484 H3 GLY 2 3HT GLY 2 19.689 5.472 22.754 485 HA2 GLY 2 1HA GLY 2 17.785 4.020 22.736 486 HA3 GLY 2 2HA GLY 2 16.786 5.337 22.138 487 H ARG 3 H ARG 3 18.902 6.333 20.342 488 HA ARG 3 HA ARG 3 19.507 6.139 18.171 489 HB2 ARG 3 2HB ARG 3 19.908 3.337 19.143 490 HB3 ARG 3 1HB ARG 3 20.111 3.706 17.435 491 HG2 ARG 3 2HG ARG 3 21.829 5.326 17.949 492 HG3 ARG 3 1HG ARG 3 21.586 5.068 19.678 493 HD2 ARG 3 2HD ARG 3 22.453 2.884 19.579 494 HD3 ARG 3 1HD ARG 3 22.348 2.834 17.818 495 HE ARG 3 HE ARG 3 24.072 4.826 18.145 496 HH11 ARG 3 1HH1 ARG 3 23.991 1.679 19.730 497 HH12 ARG 3 2HH1 ARG 3 25.721 1.607 19.910 498 HH21 ARG 3 1HH2 ARG 3 26.316 4.704 18.394 499 HH22 ARG 3 2HH2 ARG 3 27.028 3.323 19.168 500 HA PRO 4 HA PRO 4 15.326 5.101 16.630 501 HB2 PRO 4 2HB PRO 4 15.857 7.419 14.910 502 HB3 PRO 4 1HB PRO 4 14.513 7.133 16.020 503 HG2 PRO 4 2HG PRO 4 16.423 8.963 16.529 504 HG3 PRO 4 1HG PRO 4 15.630 8.040 17.817 505 HD2 PRO 4 2HD PRO 4 18.324 7.620 16.570 506 HD3 PRO 4 1HD PRO 4 17.845 7.522 18.279 507 H TYR 5 H TYR 5 16.403 3.249 15.758 508 HA TYR 5 HA TYR 5 17.059 1.859 14.115 509 HB2 TYR 5 2HB TYR 5 16.304 4.189 12.354 510 HB3 TYR 5 1HB TYR 5 16.889 2.656 11.714 511 HD1 TYR 5 1HD TYR 5 15.568 0.580 12.109 512 HD2 TYR 5 2HD TYR 5 14.057 4.432 13.094 513 HE1 TYR 5 1HE TYR 5 13.294 -0.343 12.204 514 HE2 TYR 5 2HE TYR 5 11.777 3.518 13.196 515 HH TYR 5 HH TYR 5 11.151 0.158 13.220 516 H LYS 6 H LYS 6 18.277 4.979 12.888 517 HA LYS 6 HA LYS 6 21.014 4.061 13.389 518 HB2 LYS 6 2HB LYS 6 20.128 5.175 10.713 519 HB3 LYS 6 1HB LYS 6 21.745 4.642 11.143 520 HG2 LYS 6 2HG LYS 6 19.365 2.809 11.092 521 HG3 LYS 6 1HG LYS 6 20.421 3.083 9.706 522 HD2 LYS 6 2HD LYS 6 22.320 2.238 10.940 523 HD3 LYS 6 1HD LYS 6 21.333 2.067 12.394 524 HE2 LYS 6 2HE LYS 6 21.660 -0.071 11.223 525 HE3 LYS 6 1HE LYS 6 19.963 0.397 11.315 526 HZ1 LYS 6 3HZ LYS 6 20.113 1.210 9.030 527 HZ2 LYS 6 1HZ LYS 6 20.507 -0.439 9.128 528 HZ3 LYS 6 2HZ LYS 6 21.739 0.713 8.954 529 H LEU 7 H LEU 7 19.396 6.707 11.658 530 HA LEU 7 HA LEU 7 20.387 8.639 13.608 531 HB2 LEU 7 2HB LEU 7 22.136 8.416 11.861 532 HB3 LEU 7 1HB LEU 7 20.950 8.844 10.645 533 HG LEU 7 HG LEU 7 20.693 11.066 11.731 534 HD11 LEU 7 1HD1 LEU 7 22.381 11.777 13.355 535 HD12 LEU 7 2HD1 LEU 7 23.012 10.132 13.411 536 HD13 LEU 7 3HD1 LEU 7 21.378 10.466 13.980 537 HD21 LEU 7 3HD2 LEU 7 23.487 10.321 10.882 538 HD22 LEU 7 1HD2 LEU 7 22.836 11.957 10.948 539 HD23 LEU 7 2HD2 LEU 7 22.160 10.784 9.819 540 H LEU 8 H LEU 8 17.962 8.311 13.865 541 HA LEU 8 HA LEU 8 15.824 9.059 13.689 542 HB2 LEU 8 2HB LEU 8 17.308 11.360 12.441 543 HB3 LEU 8 1HB LEU 8 15.561 11.358 12.530 544 HG LEU 8 HG LEU 8 16.428 12.664 14.336 545 HD11 LEU 8 1HD1 LEU 8 15.459 11.504 16.262 546 HD12 LEU 8 2HD1 LEU 8 15.426 10.007 15.329 547 HD13 LEU 8 3HD1 LEU 8 14.444 11.382 14.824 548 HD21 LEU 8 3HD2 LEU 8 17.882 11.721 16.073 549 HD22 LEU 8 1HD2 LEU 8 18.666 11.745 14.493 550 HD23 LEU 8 2HD2 LEU 8 18.023 10.233 15.136 551 H ASN 9 H ASN 9 16.000 7.106 12.123 552 HA ASN 9 HA ASN 9 15.831 7.760 9.311 553 HB2 ASN 9 2HB ASN 9 15.670 5.119 10.778 554 HB3 ASN 9 1HB ASN 9 15.554 5.274 9.030 555 HD21 ASN 9 1HD2 ASN 9 17.389 4.086 8.616 556 HD22 ASN 9 2HD2 ASN 9 18.974 4.673 8.989 557 H GLY 10 H GLY 10 14.006 8.749 8.783 558 HA2 GLY 10 2HA GLY 10 11.572 7.229 8.771 559 HA3 GLY 10 1HA GLY 10 11.513 8.582 9.896 560 H ILE 11 H ILE 11 11.186 7.599 6.685 561 HA ILE 11 HA ILE 11 11.364 10.361 5.682 562 HB ILE 11 HB ILE 11 11.144 7.821 4.049 563 HG12 ILE 11 2HG1 ILE 11 13.218 7.787 5.346 564 HG13 ILE 11 1HG1 ILE 11 13.559 8.053 3.638 565 HG21 ILE 11 1HG2 ILE 11 11.942 10.626 3.273 566 HG22 ILE 11 2HG2 ILE 11 10.419 9.830 2.874 567 HG23 ILE 11 3HG2 ILE 11 11.933 9.224 2.203 568 HD11 ILE 11 3HD1 ILE 11 14.945 9.474 5.031 569 HD12 ILE 11 1HD1 ILE 11 13.506 10.172 5.775 570 HD13 ILE 11 2HD1 ILE 11 13.833 10.441 4.063 571 H LYS 12 H LYS 12 9.650 11.138 4.303 572 HA LYS 12 HA LYS 12 7.057 10.260 5.347 573 HB2 LYS 12 2HB LYS 12 7.626 12.581 5.755 574 HB3 LYS 12 1HB LYS 12 7.980 12.833 4.054 575 HG2 LYS 12 2HG LYS 12 5.898 13.824 4.376 576 HG3 LYS 12 1HG LYS 12 5.534 12.270 3.624 577 HD2 LYS 12 2HD LYS 12 5.014 11.337 5.833 578 HD3 LYS 12 1HD LYS 12 5.363 12.904 6.571 579 HE2 LYS 12 2HE LYS 12 3.583 13.887 5.114 580 HE3 LYS 12 1HE LYS 12 3.167 12.249 4.611 581 HZ1 LYS 12 3HZ LYS 12 2.975 13.397 7.343 582 HZ2 LYS 12 1HZ LYS 12 2.792 11.745 7.011 583 HZ3 LYS 12 2HZ LYS 12 1.707 12.868 6.351 584 H LEU 13 H LEU 13 5.746 9.138 4.079 585 HA LEU 13 HA LEU 13 5.831 9.586 1.182 586 HB2 LEU 13 2HB LEU 13 5.434 7.119 0.893 587 HB3 LEU 13 1HB LEU 13 7.046 7.578 1.398 588 HG LEU 13 HG LEU 13 5.041 6.740 3.465 589 HD11 LEU 13 1HD1 LEU 13 5.771 4.420 3.200 590 HD12 LEU 13 2HD1 LEU 13 6.708 4.876 1.776 591 HD13 LEU 13 3HD1 LEU 13 4.949 5.001 1.752 592 HD21 LEU 13 3HD2 LEU 13 8.042 6.486 3.227 593 HD22 LEU 13 1HD2 LEU 13 7.071 5.954 4.599 594 HD23 LEU 13 2HD2 LEU 13 7.175 7.672 4.208 595 H GLY 14 H GLY 14 3.902 9.688 0.201 596 HA2 GLY 14 2HA GLY 14 1.556 9.408 1.954 597 HA3 GLY 14 1HA GLY 14 1.651 10.441 0.536 598 H VAL 15 H VAL 15 0.323 7.703 1.680 599 HA VAL 15 HA VAL 15 0.388 6.276 -0.895 600 HB VAL 15 HB VAL 15 -0.609 5.285 1.796 601 HG11 VAL 15 1HG1 VAL 15 -1.625 4.133 -0.095 602 HG12 VAL 15 2HG1 VAL 15 -0.530 3.072 0.789 603 HG13 VAL 15 3HG1 VAL 15 -0.025 3.778 -0.746 604 HG21 VAL 15 3HG2 VAL 15 1.765 5.715 1.922 605 HG22 VAL 15 1HG2 VAL 15 2.036 4.805 0.435 606 HG23 VAL 15 2HG2 VAL 15 1.467 3.976 1.886 607 H TYR 16 H TYR 16 -1.596 5.611 -1.864 608 HA TYR 16 HA TYR 16 -4.003 6.991 -0.871 609 HB2 TYR 16 2HB TYR 16 -2.955 6.592 -3.630 610 HB3 TYR 16 1HB TYR 16 -4.700 6.517 -3.398 611 HD1 TYR 16 1HD TYR 16 -5.290 8.494 -1.467 612 HD2 TYR 16 2HD TYR 16 -2.412 8.644 -4.586 613 HE1 TYR 16 1HE TYR 16 -5.465 10.929 -1.483 614 HE2 TYR 16 2HE TYR 16 -2.570 11.100 -4.619 615 HH TYR 16 HH TYR 16 -4.300 12.834 -3.984 616 H ILE 17 H ILE 17 -5.445 5.630 -0.036 617 HA ILE 17 HA ILE 17 -5.928 3.126 -1.475 618 HB ILE 17 HB ILE 17 -6.160 1.800 0.493 619 HG12 ILE 17 2HG1 ILE 17 -5.509 4.273 2.112 620 HG13 ILE 17 1HG1 ILE 17 -7.075 3.463 2.041 621 HG21 ILE 17 1HG2 ILE 17 -3.872 1.826 1.395 622 HG22 ILE 17 2HG2 ILE 17 -3.607 3.392 0.630 623 HG23 ILE 17 3HG2 ILE 17 -3.908 1.965 -0.363 624 HD11 ILE 17 3HD1 ILE 17 -6.020 2.781 4.052 625 HD12 ILE 17 1HD1 ILE 17 -4.512 2.413 3.208 626 HD13 ILE 17 2HD1 ILE 17 -5.935 1.409 2.937 627 HA PRO 18 HA PRO 18 -10.114 4.314 -1.605 628 HB2 PRO 18 2HB PRO 18 -11.342 1.870 -1.221 629 HB3 PRO 18 1HB PRO 18 -10.661 2.425 -2.752 630 HG2 PRO 18 2HG PRO 18 -9.467 0.621 -0.692 631 HG3 PRO 18 1HG PRO 18 -9.422 0.492 -2.460 632 HD2 PRO 18 2HD PRO 18 -7.318 1.396 -1.079 633 HD3 PRO 18 1HD PRO 18 -7.751 2.091 -2.658 634 H GLN 19 H GLN 19 -12.093 4.466 -0.437 635 HA GLN 19 HA GLN 19 -11.682 4.961 2.314 636 HB2 GLN 19 2HB GLN 19 -13.952 5.717 2.376 637 HB3 GLN 19 1HB GLN 19 -13.264 6.227 0.844 638 HG2 GLN 19 2HG GLN 19 -15.065 5.363 -0.114 639 HG3 GLN 19 1HG GLN 19 -14.396 3.777 0.264 640 HE21 GLN 19 1HE2 GLN 19 -14.752 4.255 3.171 641 HE22 GLN 19 2HE2 GLN 19 -16.441 4.030 3.471 642 H GLU 20 H GLU 20 -13.087 2.279 0.556 643 HA GLU 20 HA GLU 20 -14.293 0.944 2.693 644 HB2 GLU 20 2HB GLU 20 -13.831 -1.138 1.265 645 HB3 GLU 20 1HB GLU 20 -14.860 0.123 0.600 646 HG2 GLU 20 2HG GLU 20 -12.757 1.009 -0.514 647 HG3 GLU 20 1HG GLU 20 -12.027 -0.536 -0.094 648 H TRP 21 H TRP 21 -10.963 1.279 1.809 649 HA TRP 21 HA TRP 21 -10.006 -0.773 3.583 650 HB2 TRP 21 2HB TRP 21 -8.720 1.435 2.013 651 HB3 TRP 21 1HB TRP 21 -7.811 0.615 3.276 652 HD1 TRP 21 HD TRP 21 -10.156 -1.123 0.723 653 HE1 TRP 21 1HE TRP 21 -8.718 -2.762 -0.655 654 HE3 TRP 21 3HE TRP 21 -5.577 0.037 2.642 655 HZ2 TRP 21 2HZ TRP 21 -5.974 -3.448 -0.895 656 HZ3 TRP 21 3HZ TRP 21 -3.605 -1.132 1.787 657 HH2 TRP 21 HH TRP 21 -3.797 -2.820 0.062 658 H HIS 22 H HIS 22 -10.287 2.762 3.635 659 HA HIS 22 HA HIS 22 -9.147 3.160 6.168 660 HB2 HIS 22 2HB HIS 22 -11.116 4.738 4.538 661 HB3 HIS 22 1HB HIS 22 -10.714 5.238 6.180 662 HD1 HIS 22 1HD HIS 22 -8.885 6.878 6.278 663 HD2 HIS 22 2HD HIS 22 -8.531 4.380 2.972 664 HE1 HIS 22 1HE HIS 22 -6.855 7.687 5.039 665 HE2 HIS 22 2HE HIS 22 -6.743 6.253 2.969 666 H ASP 23 H ASP 23 -12.403 2.310 5.184 667 HA ASP 23 HA ASP 23 -13.696 2.568 7.653 668 HB2 ASP 23 2HB ASP 23 -14.719 2.134 5.352 669 HB3 ASP 23 1HB ASP 23 -14.308 0.440 5.598 670 H ARG 24 H ARG 24 -12.371 -0.402 6.155 671 HA ARG 24 HA ARG 24 -12.869 -1.937 8.521 672 HB2 ARG 24 2HB ARG 24 -11.606 -2.506 5.869 673 HB3 ARG 24 1HB ARG 24 -11.364 -3.638 7.191 674 HG2 ARG 24 2HG ARG 24 -13.193 -4.395 5.857 675 HG3 ARG 24 1HG ARG 24 -13.826 -3.837 7.405 676 HD2 ARG 24 2HD ARG 24 -14.445 -1.700 6.352 677 HD3 ARG 24 1HD ARG 24 -13.865 -2.314 4.804 678 HE ARG 24 HE ARG 24 -15.690 -4.172 5.700 679 HH11 ARG 24 1HH1 ARG 24 -15.743 -0.766 4.877 680 HH12 ARG 24 2HH1 ARG 24 -17.428 -0.756 4.466 681 HH21 ARG 24 1HH2 ARG 24 -17.891 -4.184 5.105 682 HH22 ARG 24 2HH2 ARG 24 -18.653 -2.703 4.594 683 H LEU 25 H LEU 25 -9.933 -0.706 6.963 684 HA LEU 25 HA LEU 25 -8.118 -1.970 8.712 685 HB2 LEU 25 2HB LEU 25 -7.956 0.250 6.736 686 HB3 LEU 25 1HB LEU 25 -6.640 0.077 7.879 687 HG LEU 25 HG LEU 25 -6.104 -1.027 5.781 688 HD11 LEU 25 1HD1 LEU 25 -5.208 -2.002 7.813 689 HD12 LEU 25 2HD1 LEU 25 -5.574 -3.262 6.634 690 HD13 LEU 25 3HD1 LEU 25 -6.657 -2.989 7.998 691 HD21 LEU 25 3HD2 LEU 25 -8.561 -2.700 6.281 692 HD22 LEU 25 1HD2 LEU 25 -7.364 -2.989 5.019 693 HD23 LEU 25 2HD2 LEU 25 -8.342 -1.523 4.985 694 H MET 26 H MET 26 -9.334 1.385 8.662 695 HA MET 26 HA MET 26 -7.796 2.140 10.912 696 HB2 MET 26 2HB MET 26 -10.169 3.452 9.603 697 HB3 MET 26 1HB MET 26 -9.302 4.162 10.961 698 HG2 MET 26 2HG MET 26 -7.271 4.256 9.678 699 HG3 MET 26 1HG MET 26 -8.041 3.412 8.333 700 HE1 MET 26 3HE MET 26 -9.685 6.178 10.595 701 HE2 MET 26 1HE MET 26 -9.294 7.650 9.706 702 HE3 MET 26 2HE MET 26 -8.013 6.726 10.492 703 H GLU 27 H GLU 27 -11.023 0.738 10.625 704 HA GLU 27 HA GLU 27 -11.726 1.245 13.320 705 HB2 GLU 27 2HB GLU 27 -13.386 0.549 11.646 706 HB3 GLU 27 1HB GLU 27 -12.620 -1.030 11.543 707 HG2 GLU 27 2HG GLU 27 -13.259 -1.587 13.750 708 HG3 GLU 27 1HG GLU 27 -13.743 0.069 14.101 709 H ILE 28 H ILE 28 -10.005 -1.424 11.763 710 HA ILE 28 HA ILE 28 -9.597 -2.942 14.133 711 HB ILE 28 HB ILE 28 -7.920 -2.837 11.612 712 HG12 ILE 28 2HG1 ILE 28 -10.042 -4.826 12.458 713 HG13 ILE 28 1HG1 ILE 28 -10.288 -3.537 11.285 714 HG21 ILE 28 1HG2 ILE 28 -7.018 -4.993 12.325 715 HG22 ILE 28 2HG2 ILE 28 -7.944 -4.891 13.823 716 HG23 ILE 28 3HG2 ILE 28 -6.656 -3.729 13.500 717 HD11 ILE 28 3HD1 ILE 28 -8.365 -5.836 11.012 718 HD12 ILE 28 1HD1 ILE 28 -8.594 -4.541 9.837 719 HD13 ILE 28 2HD1 ILE 28 -9.912 -5.662 10.182 720 H ALA 29 H ALA 29 -7.829 -0.394 12.509 721 HA ALA 29 HA ALA 29 -5.526 -0.378 14.136 722 HB1 ALA 29 1HB ALA 29 -5.617 0.685 11.936 723 HB2 ALA 29 2HB ALA 29 -5.104 1.826 13.179 724 HB3 ALA 29 3HB ALA 29 -6.755 1.881 12.558 725 H LYS 30 H LYS 30 -8.712 0.865 14.589 726 HA LYS 30 HA LYS 30 -8.055 2.759 16.634 727 HB2 LYS 30 2HB LYS 30 -10.086 2.932 15.236 728 HB3 LYS 30 1HB LYS 30 -10.679 1.425 15.927 729 HG2 LYS 30 2HG LYS 30 -10.692 2.541 18.159 730 HG3 LYS 30 1HG LYS 30 -10.297 4.055 17.340 731 HD2 LYS 30 2HD LYS 30 -12.735 2.348 16.836 732 HD3 LYS 30 1HD LYS 30 -12.702 3.866 17.735 733 HE2 LYS 30 2HE LYS 30 -12.030 5.067 15.742 734 HE3 LYS 30 1HE LYS 30 -11.930 3.561 14.833 735 HZ1 LYS 30 3HZ LYS 30 -14.284 3.265 15.044 736 HZ2 LYS 30 1HZ LYS 30 -13.993 4.817 14.424 737 HZ3 LYS 30 2HZ LYS 30 -14.420 4.618 16.054 738 H GLU 31 H GLU 31 -9.215 -0.530 16.466 739 HA GLU 31 HA GLU 31 -9.644 -0.981 19.204 740 HB2 GLU 31 2HB GLU 31 -10.442 -2.389 17.266 741 HB3 GLU 31 1HB GLU 31 -8.807 -3.021 17.141 742 HG2 GLU 31 2HG GLU 31 -10.225 -4.552 18.354 743 HG3 GLU 31 1HG GLU 31 -8.974 -3.898 19.413 744 H LYS 32 H LYS 32 -6.804 -1.443 17.140 745 HA LYS 32 HA LYS 32 -5.301 -2.596 19.356 746 HB2 LYS 32 2HB LYS 32 -5.040 -2.582 16.418 747 HB3 LYS 32 1HB LYS 32 -3.524 -2.536 17.306 748 HG2 LYS 32 2HG LYS 32 -4.149 -4.814 16.754 749 HG3 LYS 32 1HG LYS 32 -4.142 -4.564 18.498 750 HD2 LYS 32 2HD LYS 32 -6.577 -4.332 18.474 751 HD3 LYS 32 1HD LYS 32 -6.585 -4.588 16.726 752 HE2 LYS 32 2HE LYS 32 -5.564 -6.562 18.767 753 HE3 LYS 32 1HE LYS 32 -7.154 -6.627 18.012 754 HZ1 LYS 32 3HZ LYS 32 -4.576 -6.765 16.537 755 HZ2 LYS 32 1HZ LYS 32 -6.128 -6.941 15.877 756 HZ3 LYS 32 2HZ LYS 32 -5.524 -8.108 16.949 757 H ASN 33 H ASN 33 -5.890 0.445 18.275 758 HA ASN 33 HA ASN 33 -4.976 2.479 18.644 759 HB2 ASN 33 2HB ASN 33 -3.391 0.849 20.608 760 HB3 ASN 33 1HB ASN 33 -3.054 2.562 20.377 761 HD21 ASN 33 1HD2 ASN 33 -4.564 4.075 20.992 762 HD22 ASN 33 2HD2 ASN 33 -5.892 3.692 22.038 763 H LEU 34 H LEU 34 -4.268 1.352 16.375 764 HA LEU 34 HA LEU 34 -1.478 2.222 15.978 765 HB2 LEU 34 2HB LEU 34 -3.005 0.048 14.526 766 HB3 LEU 34 1HB LEU 34 -1.440 0.660 14.025 767 HG LEU 34 HG LEU 34 -1.933 -0.683 16.680 768 HD11 LEU 34 1HD1 LEU 34 -2.382 -2.245 14.869 769 HD12 LEU 34 2HD1 LEU 34 -0.868 -2.651 15.681 770 HD13 LEU 34 3HD1 LEU 34 -0.842 -1.835 14.115 771 HD21 LEU 34 3HD2 LEU 34 0.510 -0.899 16.693 772 HD22 LEU 34 1HD2 LEU 34 -0.000 0.788 16.648 773 HD23 LEU 34 2HD2 LEU 34 0.593 0.008 15.182 774 H THR 35 H THR 35 -1.137 3.114 13.735 775 HA THR 35 HA THR 35 -3.622 4.305 12.702 776 HB THR 35 HB THR 35 -2.216 5.875 11.460 777 HG1 THR 35 1HG THR 35 -0.016 4.537 12.713 778 HG21 THR 35 3HG2 THR 35 -2.847 6.487 13.738 779 HG22 THR 35 1HG2 THR 35 -1.247 7.117 13.344 780 HG23 THR 35 2HG2 THR 35 -1.405 5.687 14.363 781 H LEU 36 H LEU 36 -3.965 4.256 10.368 782 HA LEU 36 HA LEU 36 -3.455 1.776 9.174 783 HB2 LEU 36 2HB LEU 36 -4.354 2.676 7.144 784 HB3 LEU 36 1HB LEU 36 -5.297 3.270 8.493 785 HG LEU 36 HG LEU 36 -3.170 4.894 7.092 786 HD11 LEU 36 1HD1 LEU 36 -4.952 4.324 5.539 787 HD12 LEU 36 2HD1 LEU 36 -5.032 6.028 5.984 788 HD13 LEU 36 3HD1 LEU 36 -6.159 4.876 6.700 789 HD21 LEU 36 3HD2 LEU 36 -5.352 5.636 9.043 790 HD22 LEU 36 1HD2 LEU 36 -4.363 6.794 8.151 791 HD23 LEU 36 2HD2 LEU 36 -3.611 5.708 9.319 792 H SER 37 H SER 37 -1.661 4.745 9.206 793 HA SER 37 HA SER 37 0.249 4.249 7.240 794 HB2 SER 37 2HB SER 37 0.681 5.592 9.918 795 HB3 SER 37 1HB SER 37 1.632 5.833 8.452 796 HG SER 37 HG SER 37 0.265 7.357 8.020 797 H ASP 38 H ASP 38 0.160 3.286 10.667 798 HA ASP 38 HA ASP 38 2.663 1.984 10.720 799 HB2 ASP 38 2HB ASP 38 0.190 1.437 12.384 800 HB3 ASP 38 1HB ASP 38 1.783 0.772 12.715 801 H VAL 39 H VAL 39 -0.591 0.870 9.994 802 HA VAL 39 HA VAL 39 -0.045 -1.883 9.848 803 HB VAL 39 HB VAL 39 -2.179 -0.341 8.357 804 HG11 VAL 39 1HG1 VAL 39 -1.826 -2.595 7.470 805 HG12 VAL 39 2HG1 VAL 39 -3.382 -2.464 8.289 806 HG13 VAL 39 3HG1 VAL 39 -2.030 -3.264 9.090 807 HG21 VAL 39 3HG2 VAL 39 -2.284 0.056 10.766 808 HG22 VAL 39 1HG2 VAL 39 -2.291 -1.684 11.057 809 HG23 VAL 39 2HG2 VAL 39 -3.647 -0.924 10.224 810 H CYS 40 H CYS 40 0.107 0.666 7.394 811 HA CYS 40 HA CYS 40 0.520 -1.020 5.181 812 HB2 CYS 40 2HB CYS 40 0.223 1.701 5.589 813 HB3 CYS 40 1HB CYS 40 1.869 1.581 4.993 814 HG CYS 40 HG CYS 40 0.465 -0.257 2.927 815 H ARG 41 H ARG 41 2.947 0.952 6.894 816 HA ARG 41 HA ARG 41 5.289 -0.133 6.064 817 HB2 ARG 41 2HB ARG 41 5.093 1.779 7.587 818 HB3 ARG 41 1HB ARG 41 4.540 0.721 8.873 819 HG2 ARG 41 2HG ARG 41 7.225 0.310 7.620 820 HG3 ARG 41 1HG ARG 41 6.986 1.538 8.860 821 HD2 ARG 41 2HD ARG 41 6.374 -0.068 10.471 822 HD3 ARG 41 1HD ARG 41 6.166 -1.335 9.254 823 HE ARG 41 HE ARG 41 8.664 -1.094 8.920 824 HH11 ARG 41 1HH1 ARG 41 7.204 -0.342 12.038 825 HH12 ARG 41 2HH1 ARG 41 8.616 -0.796 12.932 826 HH21 ARG 41 1HH2 ARG 41 10.508 -1.666 10.104 827 HH22 ARG 41 2HH2 ARG 41 10.495 -1.530 11.842 828 H LEU 42 H LEU 42 3.399 -1.344 8.855 829 HA LEU 42 HA LEU 42 5.233 -3.405 9.493 830 HB2 LEU 42 2HB LEU 42 2.301 -3.148 10.167 831 HB3 LEU 42 1HB LEU 42 3.384 -4.333 10.871 832 HG LEU 42 HG LEU 42 3.683 -1.341 11.147 833 HD11 LEU 42 1HD1 LEU 42 2.688 -3.402 13.112 834 HD12 LEU 42 2HD1 LEU 42 1.718 -2.156 12.327 835 HD13 LEU 42 3HD1 LEU 42 2.984 -1.699 13.465 836 HD21 LEU 42 3HD2 LEU 42 5.346 -1.922 12.861 837 HD22 LEU 42 1HD2 LEU 42 5.813 -2.503 11.262 838 HD23 LEU 42 2HD2 LEU 42 5.158 -3.628 12.451 839 H ALA 43 H ALA 43 2.557 -3.201 7.296 840 HA ALA 43 HA ALA 43 2.327 -6.000 6.886 841 HB1 ALA 43 1HB ALA 43 0.470 -4.477 6.430 842 HB2 ALA 43 2HB ALA 43 0.893 -5.429 5.006 843 HB3 ALA 43 3HB ALA 43 1.397 -3.743 5.123 844 H ILE 44 H ILE 44 4.418 -3.524 5.604 845 HA ILE 44 HA ILE 44 5.265 -5.030 3.327 846 HB ILE 44 HB ILE 44 6.930 -2.968 4.783 847 HG12 ILE 44 2HG1 ILE 44 4.930 -2.601 2.550 848 HG13 ILE 44 1HG1 ILE 44 4.829 -1.921 4.170 849 HG21 ILE 44 1HG2 ILE 44 8.176 -4.358 3.228 850 HG22 ILE 44 2HG2 ILE 44 8.019 -2.720 2.592 851 HG23 ILE 44 3HG2 ILE 44 7.006 -4.015 1.955 852 HD11 ILE 44 3HD1 ILE 44 5.529 -0.246 2.552 853 HD12 ILE 44 1HD1 ILE 44 6.918 -1.239 2.111 854 HD13 ILE 44 2HD1 ILE 44 6.800 -0.558 3.734 855 H LYS 45 H LYS 45 6.230 -4.810 6.704 856 HA LYS 45 HA LYS 45 8.478 -6.480 6.560 857 HB2 LYS 45 2HB LYS 45 7.870 -5.246 8.611 858 HB3 LYS 45 1HB LYS 45 6.487 -6.312 8.830 859 HG2 LYS 45 2HG LYS 45 8.022 -8.229 9.008 860 HG3 LYS 45 1HG LYS 45 9.388 -7.123 8.868 861 HD2 LYS 45 2HD LYS 45 8.661 -5.982 10.914 862 HD3 LYS 45 1HD LYS 45 7.312 -7.114 11.056 863 HE2 LYS 45 2HE LYS 45 10.240 -7.838 11.091 864 HE3 LYS 45 1HE LYS 45 9.183 -7.759 12.499 865 HZ1 LYS 45 3HZ LYS 45 8.912 -9.634 10.199 866 HZ2 LYS 45 1HZ LYS 45 7.831 -9.527 11.507 867 HZ3 LYS 45 2HZ LYS 45 9.429 -10.026 11.767 868 H GLU 46 H GLU 46 5.039 -7.232 6.889 869 HA GLU 46 HA GLU 46 5.316 -10.056 6.984 870 HB2 GLU 46 2HB GLU 46 3.253 -9.111 7.718 871 HB3 GLU 46 1HB GLU 46 3.052 -8.212 6.223 872 HG2 GLU 46 2HG GLU 46 1.509 -9.947 6.077 873 HG3 GLU 46 1HG GLU 46 2.856 -10.475 5.074 874 H TYR 47 H TYR 47 5.056 -7.683 4.435 875 HA TYR 47 HA TYR 47 4.604 -9.368 2.268 876 HB2 TYR 47 2HB TYR 47 4.468 -6.876 2.245 877 HB3 TYR 47 1HB TYR 47 6.222 -6.811 2.315 878 HD1 TYR 47 1HD TYR 47 3.328 -7.646 0.225 879 HD2 TYR 47 2HD TYR 47 7.555 -7.219 0.352 880 HE1 TYR 47 1HE TYR 47 3.395 -7.679 -2.228 881 HE2 TYR 47 2HE TYR 47 7.639 -7.256 -2.108 882 HH TYR 47 HH TYR 47 4.829 -6.958 -4.038 883 H LEU 48 H LEU 48 7.597 -8.296 3.800 884 HA LEU 48 HA LEU 48 9.356 -9.721 2.085 885 HB2 LEU 48 2HB LEU 48 9.802 -8.789 4.923 886 HB3 LEU 48 1HB LEU 48 11.052 -9.295 3.800 887 HG LEU 48 HG LEU 48 9.289 -6.861 3.509 888 HD11 LEU 48 1HD1 LEU 48 12.221 -7.141 4.152 889 HD12 LEU 48 2HD1 LEU 48 10.954 -6.614 5.259 890 HD13 LEU 48 3HD1 LEU 48 11.374 -5.622 3.862 891 HD21 LEU 48 3HD2 LEU 48 11.548 -7.859 1.773 892 HD22 LEU 48 1HD2 LEU 48 10.712 -6.315 1.591 893 HD23 LEU 48 2HD2 LEU 48 9.839 -7.827 1.338 894 H ASP 49 H ASP 49 8.301 -10.367 5.427 895 HA ASP 49 HA ASP 49 9.668 -12.792 5.721 896 HB2 ASP 49 2HB ASP 49 7.451 -11.434 7.166 897 HB3 ASP 49 1HB ASP 49 7.722 -13.139 7.509 898 H ASN 50 H ASN 50 6.566 -12.126 4.283 899 HA ASN 50 HA ASN 50 5.650 -14.850 4.439 900 HB2 ASN 50 2HB ASN 50 4.244 -12.691 4.416 901 HB3 ASN 50 1HB ASN 50 4.483 -12.705 2.672 902 HD21 ASN 50 1HD2 ASN 50 2.178 -13.111 4.591 903 HD22 ASN 50 2HD2 ASN 50 1.395 -14.537 4.006 904 H HIS 51 H HIS 51 7.267 -12.848 2.051 905 HA HIS 51 HA HIS 51 6.938 -14.927 0.028 906 HB2 HIS 51 2HB HIS 51 8.011 -12.120 -0.091 907 HB3 HIS 51 1HB HIS 51 8.271 -13.257 -1.409 908 HD1 HIS 51 1HD HIS 51 6.105 -14.094 -2.690 909 HD2 HIS 51 2HD HIS 51 5.502 -10.975 0.004 910 HE1 HIS 51 1HE HIS 51 3.865 -13.107 -3.274 911 HE2 HIS 51 2HE HIS 51 3.494 -11.249 -1.616 912 H ASP 52 H ASP 52 9.105 -14.106 2.444 913 HA ASP 52 HA ASP 52 11.092 -15.931 1.304 914 HB2 ASP 52 2HB ASP 52 11.849 -13.593 0.884 915 HB3 ASP 52 1HB ASP 52 11.799 -13.298 2.616 916 H LYS 53 H LYS 53 10.692 -17.555 2.677 917 HA LYS 53 HA LYS 53 10.078 -17.042 5.465 918 HB2 LYS 53 2HB LYS 53 9.211 -18.901 3.649 919 HB3 LYS 53 1HB LYS 53 10.368 -19.830 4.591 920 HG2 LYS 53 2HG LYS 53 8.180 -20.111 5.519 921 HG3 LYS 53 1HG LYS 53 9.164 -19.176 6.647 922 HD2 LYS 53 2HD LYS 53 6.878 -18.272 6.412 923 HD3 LYS 53 1HD LYS 53 8.116 -17.120 5.912 924 HE2 LYS 53 2HE LYS 53 6.223 -17.139 4.363 925 HE3 LYS 53 1HE LYS 53 7.712 -17.661 3.577 926 HZ1 LYS 53 3HZ LYS 53 6.995 -19.956 3.806 927 HZ2 LYS 53 1HZ LYS 53 5.837 -19.053 2.957 928 HZ3 LYS 53 2HZ LYS 53 5.571 -19.462 4.582 929 H GLN 54 H GLN 54 12.529 -18.807 3.595 930 HA GLN 54 HA GLN 54 14.590 -19.623 4.107 931 HB2 GLN 54 2HB GLN 54 14.489 -17.600 6.351 932 HB3 GLN 54 1HB GLN 54 15.933 -18.396 5.754 933 HG2 GLN 54 2HG GLN 54 15.660 -17.271 3.601 934 HG3 GLN 54 1HG GLN 54 14.212 -16.467 4.215 935 HE21 GLN 54 1HE2 GLN 54 15.070 -14.417 3.986 936 HE22 GLN 54 2HE2 GLN 54 16.326 -13.819 5.027 937 H LYS 55 H LYS 55 15.935 -20.062 6.435 938 HA LYS 55 HA LYS 55 16.104 -21.060 8.445 939 HB2 LYS 55 2HB LYS 55 13.090 -20.957 8.577 940 HB3 LYS 55 1HB LYS 55 14.175 -21.322 9.913 941 HG2 LYS 55 2HG LYS 55 15.188 -19.025 9.506 942 HG3 LYS 55 1HG LYS 55 13.782 -18.713 8.488 943 HD2 LYS 55 2HD LYS 55 13.372 -17.859 10.706 944 HD3 LYS 55 1HD LYS 55 12.322 -19.248 10.414 945 HE2 LYS 55 2HE LYS 55 13.303 -19.321 12.653 946 HE3 LYS 55 1HE LYS 55 13.847 -20.676 11.665 947 HZ1 LYS 55 3HZ LYS 55 15.675 -19.714 12.905 948 HZ2 LYS 55 1HZ LYS 55 15.391 -18.192 12.209 949 HZ3 LYS 55 2HZ LYS 55 15.916 -19.482 11.245 950 H LYS 56 H LYS 56 16.713 -22.683 6.707 951 HA LYS 56 HA LYS 56 15.451 -25.185 7.556 952 HB2 LYS 56 2HB LYS 56 16.289 -24.526 4.721 953 HB3 LYS 56 1HB LYS 56 15.880 -26.140 5.281 954 HG2 LYS 56 2HG LYS 56 13.617 -25.269 5.878 955 HG3 LYS 56 1HG LYS 56 14.060 -23.758 5.082 956 HD2 LYS 56 2HD LYS 56 14.007 -26.485 3.793 957 HD3 LYS 56 1HD LYS 56 12.792 -25.224 3.583 958 HE2 LYS 56 2HE LYS 56 14.424 -23.774 2.548 959 HE3 LYS 56 1HE LYS 56 15.705 -24.945 2.856 960 HZ1 LYS 56 3HZ LYS 56 14.885 -25.012 0.563 961 HZ2 LYS 56 1HZ LYS 56 13.342 -25.434 1.125 962 HZ3 LYS 56 2HZ LYS 56 14.654 -26.488 1.366
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