NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
549728 | 2lz0 | 18734 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -12.374 14.756 -10.040 2 HA2 GLY 1 1HA GLY 1 -10.201 15.095 -8.960 3 HA3 GLY 1 2HA GLY 1 -11.083 15.836 -7.599 4 H SER 2 H SER 2 -12.136 14.531 -6.092 5 HA SER 2 HA SER 2 -12.289 11.622 -6.607 6 HB2 SER 2 1HB SER 2 -11.890 12.841 -3.872 7 HB3 SER 2 2HB SER 2 -11.786 11.138 -4.330 8 HG SER 2 HG SER 2 -9.895 12.957 -4.140 9 H HIS 3 H HIS 3 -14.175 10.707 -5.598 10 HA HIS 3 HA HIS 3 -15.975 12.307 -3.996 11 HB2 HIS 3 1HB HIS 3 -16.866 10.983 -6.608 12 HB3 HIS 3 2HB HIS 3 -17.955 11.548 -5.342 13 HD1 HIS 3 1HD HIS 3 -17.004 14.484 -4.865 14 HD2 HIS 3 2HD HIS 3 -17.249 12.554 -8.605 15 HE1 HIS 3 1HE HIS 3 -17.305 16.324 -6.601 16 H GLU 4 H GLU 4 -14.755 10.934 -2.559 17 HA GLU 4 HA GLU 4 -15.775 8.244 -2.416 18 HB2 GLU 4 1HB GLU 4 -13.875 8.577 -4.330 19 HB3 GLU 4 2HB GLU 4 -12.799 8.533 -2.941 20 HG2 GLU 4 1HG GLU 4 -13.729 6.309 -2.334 21 HG3 GLU 4 2HG GLU 4 -14.883 6.444 -3.685 22 H GLY 5 H GLY 5 -14.798 7.057 -0.522 23 HA2 GLY 5 1HA GLY 5 -13.107 8.711 1.295 24 HA3 GLY 5 2HA GLY 5 -14.604 7.956 1.845 25 H GLU 6 H GLU 6 -13.375 5.724 -0.329 26 HA GLU 6 HA GLU 6 -12.108 4.171 1.842 27 HB2 GLU 6 1HB GLU 6 -12.772 2.218 0.289 28 HB3 GLU 6 2HB GLU 6 -13.894 2.907 1.418 29 HG2 GLU 6 1HG GLU 6 -13.830 3.913 -1.445 30 HG3 GLU 6 2HG GLU 6 -14.671 2.404 -1.014 31 HA PRO 7 HA PRO 7 -8.685 4.469 -1.134 32 HB2 PRO 7 1HB PRO 7 -6.630 4.769 0.651 33 HB3 PRO 7 2HB PRO 7 -7.658 6.139 0.132 34 HG2 PRO 7 1HG PRO 7 -8.036 4.389 2.597 35 HG3 PRO 7 2HG PRO 7 -7.933 6.166 2.555 36 HD2 PRO 7 1HD PRO 7 -10.294 4.873 2.578 37 HD3 PRO 7 2HD PRO 7 -10.095 6.312 1.522 38 H VAL 8 H VAL 8 -9.480 2.178 -1.442 39 HA VAL 8 HA VAL 8 -7.899 0.200 0.160 40 HB VAL 8 HB VAL 8 -10.183 0.585 1.083 41 HG11 VAL 8 1HG1 VAL 8 -11.201 -0.844 -1.399 42 HG12 VAL 8 2HG1 VAL 8 -12.151 -0.280 -0.016 43 HG13 VAL 8 3HG1 VAL 8 -11.390 0.896 -1.100 44 HG21 VAL 8 3HG2 VAL 8 -9.794 -2.265 0.082 45 HG22 VAL 8 1HG2 VAL 8 -8.971 -1.547 1.492 46 HG23 VAL 8 2HG2 VAL 8 -10.731 -1.721 1.476 47 H VAL 9 H VAL 9 -7.660 -1.907 -0.726 48 HA VAL 9 HA VAL 9 -7.289 -1.803 -3.647 49 HB VAL 9 HB VAL 9 -5.286 -2.102 -2.363 50 HG11 VAL 9 1HG1 VAL 9 -6.362 -4.610 -1.067 51 HG12 VAL 9 2HG1 VAL 9 -4.745 -3.891 -0.912 52 HG13 VAL 9 3HG1 VAL 9 -6.130 -3.045 -0.266 53 HG21 VAL 9 3HG2 VAL 9 -5.955 -4.764 -3.618 54 HG22 VAL 9 1HG2 VAL 9 -5.493 -3.307 -4.526 55 HG23 VAL 9 2HG2 VAL 9 -4.350 -4.056 -3.383 56 H GLY 10 H GLY 10 -9.475 -2.182 -4.283 57 HA2 GLY 10 1HA GLY 10 -10.154 -5.084 -4.257 58 HA3 GLY 10 2HA GLY 10 -11.354 -3.834 -3.881 59 H MET 11 H MET 11 -9.462 -5.360 -6.417 60 HA MET 11 HA MET 11 -9.501 -5.316 -8.645 61 HB2 MET 11 1HB MET 11 -12.387 -4.597 -8.090 62 HB3 MET 11 2HB MET 11 -11.804 -4.973 -9.704 63 HG2 MET 11 1HG MET 11 -11.237 -6.945 -7.494 64 HG3 MET 11 2HG MET 11 -12.858 -6.809 -8.145 65 HE1 MET 11 3HE MET 11 -9.204 -8.560 -10.342 66 HE2 MET 11 1HE MET 11 -9.212 -6.799 -10.156 67 HE3 MET 11 2HE MET 11 -9.219 -7.857 -8.715 68 H ASP 12 H ASP 12 -8.836 -2.618 -7.284 69 HA ASP 12 HA ASP 12 -8.207 -1.415 -9.813 70 HB2 ASP 12 1HB ASP 12 -10.486 -0.363 -8.999 71 HB3 ASP 12 2HB ASP 12 -9.487 0.423 -7.795 72 H LYS 13 H LYS 13 -6.742 0.593 -9.152 73 HA LYS 13 HA LYS 13 -5.190 0.170 -6.703 74 HB2 LYS 13 1HB LYS 13 -4.167 -0.201 -9.548 75 HB3 LYS 13 2HB LYS 13 -3.120 0.408 -8.294 76 HG2 LYS 13 1HG LYS 13 -4.216 -1.696 -6.921 77 HG3 LYS 13 2HG LYS 13 -4.314 -2.394 -8.534 78 HD2 LYS 13 1HD LYS 13 -2.005 -2.104 -8.902 79 HD3 LYS 13 2HD LYS 13 -1.792 -1.098 -7.462 80 HE2 LYS 13 1HE LYS 13 -2.202 -4.045 -7.536 81 HE3 LYS 13 2HE LYS 13 -0.795 -3.148 -6.985 82 HZ1 LYS 13 3HZ LYS 13 -2.278 -2.236 -5.230 83 HZ2 LYS 13 1HZ LYS 13 -2.050 -3.887 -5.173 84 HZ3 LYS 13 2HZ LYS 13 -3.455 -3.300 -5.767 85 H SER 14 H SER 14 -6.746 2.409 -8.643 86 HA SER 14 HA SER 14 -4.708 4.378 -8.331 87 HB2 SER 14 1HB SER 14 -6.682 4.108 -10.076 88 HB3 SER 14 2HB SER 14 -7.643 4.989 -8.885 89 HG SER 14 HG SER 14 -5.276 5.750 -10.233 90 H LEU 15 H LEU 15 -7.372 3.335 -6.338 91 HA LEU 15 HA LEU 15 -7.909 5.883 -5.147 92 HB2 LEU 15 1HB LEU 15 -8.952 3.126 -4.356 93 HB3 LEU 15 2HB LEU 15 -9.624 4.679 -3.929 94 HG LEU 15 HG LEU 15 -11.053 3.961 -5.547 95 HD11 LEU 15 1HD1 LEU 15 -9.095 5.471 -7.317 96 HD12 LEU 15 2HD1 LEU 15 -10.192 6.224 -6.145 97 HD13 LEU 15 3HD1 LEU 15 -10.849 5.302 -7.509 98 HD21 LEU 15 3HD2 LEU 15 -8.864 2.993 -7.397 99 HD22 LEU 15 1HD2 LEU 15 -10.607 2.799 -7.563 100 HD23 LEU 15 2HD2 LEU 15 -9.762 1.984 -6.230 101 H PHE 16 H PHE 16 -5.646 6.193 -4.300 102 HA PHE 16 HA PHE 16 -5.667 5.459 -1.439 103 HB2 PHE 16 1HB PHE 16 -3.149 4.944 -3.060 104 HB3 PHE 16 2HB PHE 16 -3.354 4.737 -1.343 105 HD1 PHE 16 2HD PHE 16 -4.489 3.530 -4.700 106 HD2 PHE 16 1HD PHE 16 -4.132 2.679 -0.513 107 HE1 PHE 16 2HE PHE 16 -5.619 1.356 -5.045 108 HE2 PHE 16 1HE PHE 16 -5.092 0.390 -0.892 109 HZ PHE 16 HZ PHE 16 -5.896 -0.206 -3.191 110 H ALA 17 H ALA 17 -3.787 7.174 -3.995 111 HA ALA 17 HA ALA 17 -2.902 9.255 -2.223 112 HB1 ALA 17 1HB ALA 17 -2.220 10.352 -4.408 113 HB2 ALA 17 2HB ALA 17 -1.609 8.705 -4.237 114 HB3 ALA 17 3HB ALA 17 -3.010 9.027 -5.279 115 H GLY 18 H GLY 18 -5.090 9.541 -1.309 116 HA2 GLY 18 1HA GLY 18 -6.102 12.103 -2.267 117 HA3 GLY 18 2HA GLY 18 -7.276 10.787 -2.399 118 H ASN 19 H ASN 19 -6.603 9.242 -0.092 119 HA ASN 19 HA ASN 19 -7.731 11.081 1.949 120 HB2 ASN 19 1HB ASN 19 -8.687 8.792 1.766 121 HB3 ASN 19 2HB ASN 19 -7.093 8.135 2.215 122 HD21 ASN 19 1HD2 ASN 19 -7.372 7.421 4.417 123 HD22 ASN 19 2HD2 ASN 19 -8.065 8.408 5.652 124 H THR 20 H THR 20 -6.182 12.405 2.721 125 HA THR 20 HA THR 20 -3.427 11.932 2.775 126 HB THR 20 HB THR 20 -3.609 13.976 4.419 127 HG1 THR 20 1HG THR 20 -5.485 14.961 4.542 128 HG21 THR 20 3HG2 THR 20 -4.786 14.092 1.597 129 HG22 THR 20 1HG2 THR 20 -3.057 14.161 2.015 130 HG23 THR 20 2HG2 THR 20 -4.138 15.469 2.514 131 H VAL 21 H VAL 21 -5.473 10.176 4.752 132 HA VAL 21 HA VAL 21 -3.796 10.512 7.183 133 HB VAL 21 HB VAL 21 -6.800 10.382 7.333 134 HG11 VAL 21 1HG1 VAL 21 -6.435 11.676 9.386 135 HG12 VAL 21 2HG1 VAL 21 -5.430 10.226 9.420 136 HG13 VAL 21 3HG1 VAL 21 -4.700 11.797 9.034 137 HG21 VAL 21 3HG2 VAL 21 -6.651 12.200 5.820 138 HG22 VAL 21 1HG2 VAL 21 -6.900 12.883 7.425 139 HG23 VAL 21 2HG2 VAL 21 -5.277 12.904 6.703 140 H ILE 22 H ILE 22 -3.709 8.283 5.308 141 HA ILE 22 HA ILE 22 -4.939 6.083 6.897 142 HB ILE 22 HB ILE 22 -5.836 6.025 4.818 143 HG12 ILE 22 1HG1 ILE 22 -3.680 3.942 4.559 144 HG13 ILE 22 2HG1 ILE 22 -4.885 3.899 5.851 145 HG21 ILE 22 1HG2 ILE 22 -4.717 6.021 2.640 146 HG22 ILE 22 2HG2 ILE 22 -4.168 7.435 3.517 147 HG23 ILE 22 3HG2 ILE 22 -3.121 6.017 3.414 148 HD11 ILE 22 3HD1 ILE 22 -5.579 3.987 2.888 149 HD12 ILE 22 1HD1 ILE 22 -5.606 2.541 3.941 150 HD13 ILE 22 2HD1 ILE 22 -6.706 3.889 4.258 151 H ARG 23 H ARG 23 -3.403 6.007 8.488 152 HA ARG 23 HA ARG 23 -0.600 6.118 7.845 153 HB2 ARG 23 1HB ARG 23 -2.120 5.456 10.364 154 HB3 ARG 23 2HB ARG 23 -0.350 5.434 10.288 155 HG2 ARG 23 1HG ARG 23 -0.239 7.748 9.551 156 HG3 ARG 23 2HG ARG 23 -2.012 7.874 9.503 157 HD2 ARG 23 1HD ARG 23 -0.308 7.364 11.948 158 HD3 ARG 23 2HD ARG 23 -1.091 8.898 11.544 159 HE ARG 23 HE ARG 23 -3.186 7.227 11.505 160 HH11 ARG 23 1HH1 ARG 23 -0.691 7.639 13.986 161 HH12 ARG 23 2HH1 ARG 23 -1.348 6.509 15.103 162 HH21 ARG 23 1HH2 ARG 23 -4.069 5.700 12.902 163 HH22 ARG 23 2HH2 ARG 23 -3.459 5.457 14.498 164 H GLU 24 H GLU 24 -2.811 3.521 7.488 165 HA GLU 24 HA GLU 24 -0.539 1.593 7.382 166 HB2 GLU 24 1HB GLU 24 -3.090 1.387 9.020 167 HB3 GLU 24 2HB GLU 24 -2.258 -0.071 8.449 168 HG2 GLU 24 1HG GLU 24 -0.322 0.341 9.717 169 HG3 GLU 24 2HG GLU 24 -0.758 2.037 10.025 170 H ILE 25 H ILE 25 -0.682 0.344 5.556 171 HA ILE 25 HA ILE 25 -3.327 0.090 4.192 172 HB ILE 25 HB ILE 25 -0.605 0.688 2.977 173 HG12 ILE 25 1HG1 ILE 25 -3.209 2.246 3.060 174 HG13 ILE 25 2HG1 ILE 25 -1.719 2.629 3.837 175 HG21 ILE 25 1HG2 ILE 25 -3.195 -0.090 1.546 176 HG22 ILE 25 2HG2 ILE 25 -1.710 0.489 0.753 177 HG23 ILE 25 3HG2 ILE 25 -1.720 -1.029 1.621 178 HD11 ILE 25 3HD1 ILE 25 -2.297 2.697 0.863 179 HD12 ILE 25 1HD1 ILE 25 -1.929 4.056 1.924 180 HD13 ILE 25 2HD1 ILE 25 -0.658 2.872 1.538 181 H THR 26 H THR 26 -3.836 -1.993 4.830 182 HA THR 26 HA THR 26 -1.859 -4.126 4.512 183 HB THR 26 HB THR 26 -4.883 -4.266 4.826 184 HG1 THR 26 1HG THR 26 -4.076 -3.281 6.595 185 HG21 THR 26 3HG2 THR 26 -2.683 -6.336 5.282 186 HG22 THR 26 1HG2 THR 26 -3.936 -6.387 4.019 187 HG23 THR 26 2HG2 THR 26 -4.398 -6.543 5.717 188 H VAL 27 H VAL 27 -1.726 -5.507 2.705 189 HA VAL 27 HA VAL 27 -3.373 -4.999 0.328 190 HB VAL 27 HB VAL 27 -0.336 -5.283 0.277 191 HG11 VAL 27 1HG1 VAL 27 -0.504 -4.405 -2.006 192 HG12 VAL 27 2HG1 VAL 27 -1.462 -5.875 -1.828 193 HG13 VAL 27 3HG1 VAL 27 -2.279 -4.297 -1.852 194 HG21 VAL 27 3HG2 VAL 27 -0.122 -2.933 -0.333 195 HG22 VAL 27 1HG2 VAL 27 -1.858 -2.675 0.030 196 HG23 VAL 27 2HG2 VAL 27 -0.690 -3.131 1.319 197 H GLN 28 H GLN 28 -3.495 -6.869 -0.993 198 HA GLN 28 HA GLN 28 -2.566 -9.430 0.191 199 HB2 GLN 28 1HB GLN 28 -4.805 -8.572 -1.693 200 HB3 GLN 28 2HB GLN 28 -4.429 -10.265 -1.477 201 HG2 GLN 28 1HG GLN 28 -5.377 -10.397 0.581 202 HG3 GLN 28 2HG GLN 28 -4.764 -8.832 1.098 203 HE21 GLN 28 1HE2 GLN 28 -6.970 -8.917 2.099 204 HE22 GLN 28 2HE2 GLN 28 -8.290 -8.183 1.178 205 HA PRO 29 HA PRO 29 0.031 -10.228 -3.303 206 HB2 PRO 29 1HB PRO 29 -0.407 -12.903 -3.812 207 HB3 PRO 29 2HB PRO 29 0.572 -12.286 -2.450 208 HG2 PRO 29 1HG PRO 29 -2.299 -13.238 -2.455 209 HG3 PRO 29 2HG PRO 29 -1.016 -13.547 -1.238 210 HD2 PRO 29 1HD PRO 29 -2.935 -11.658 -0.907 211 HD3 PRO 29 2HD PRO 29 -1.293 -11.460 -0.258 212 H ASN 30 H ASN 30 0.032 -10.766 -5.535 213 HA ASN 30 HA ASN 30 -0.645 -10.629 -7.645 214 HB2 ASN 30 1HB ASN 30 -2.375 -12.803 -6.506 215 HB3 ASN 30 2HB ASN 30 -2.197 -12.511 -8.236 216 HD21 ASN 30 1HD2 ASN 30 -0.918 -14.513 -5.818 217 HD22 ASN 30 2HD2 ASN 30 0.614 -14.761 -6.593 218 H ILE 31 H ILE 31 -2.129 -8.580 -6.005 219 HA ILE 31 HA ILE 31 -4.611 -8.324 -7.648 220 HB ILE 31 HB ILE 31 -5.101 -8.879 -5.465 221 HG12 ILE 31 1HG1 ILE 31 -5.804 -5.926 -5.635 222 HG13 ILE 31 2HG1 ILE 31 -6.382 -7.062 -6.862 223 HG21 ILE 31 1HG2 ILE 31 -4.557 -7.369 -3.540 224 HG22 ILE 31 2HG2 ILE 31 -3.176 -8.169 -4.287 225 HG23 ILE 31 3HG2 ILE 31 -3.469 -6.461 -4.629 226 HD11 ILE 31 3HD1 ILE 31 -8.052 -6.860 -5.127 227 HD12 ILE 31 1HD1 ILE 31 -7.335 -8.492 -5.116 228 HD13 ILE 31 2HD1 ILE 31 -6.872 -7.303 -3.868 229 H GLY 32 H GLY 32 -2.986 -7.445 -9.117 230 HA2 GLY 32 1HA GLY 32 -2.747 -5.652 -10.572 231 HA3 GLY 32 2HA GLY 32 -3.136 -4.535 -9.280 232 H LEU 33 H LEU 33 -1.136 -3.922 -11.035 233 HA LEU 33 HA LEU 33 1.540 -4.533 -9.859 234 HB2 LEU 33 1HB LEU 33 1.134 -4.330 -12.356 235 HB3 LEU 33 2HB LEU 33 0.755 -2.637 -12.097 236 HG LEU 33 HG LEU 33 2.956 -2.637 -12.799 237 HD11 LEU 33 1HD1 LEU 33 4.400 -1.749 -11.342 238 HD12 LEU 33 2HD1 LEU 33 3.596 -2.499 -9.968 239 HD13 LEU 33 3HD1 LEU 33 2.761 -1.261 -10.974 240 HD21 LEU 33 3HD2 LEU 33 3.454 -5.043 -12.609 241 HD22 LEU 33 1HD2 LEU 33 3.729 -4.749 -10.882 242 HD23 LEU 33 2HD2 LEU 33 4.795 -3.988 -12.096 243 H LEU 34 H LEU 34 2.421 -3.140 -8.532 244 HA LEU 34 HA LEU 34 0.982 -0.872 -7.247 245 HB2 LEU 34 1HB LEU 34 3.566 -2.324 -6.636 246 HB3 LEU 34 2HB LEU 34 3.025 -0.891 -5.788 247 HG LEU 34 HG LEU 34 0.928 -2.968 -5.828 248 HD11 LEU 34 1HD1 LEU 34 2.738 -4.577 -5.902 249 HD12 LEU 34 2HD1 LEU 34 2.093 -4.527 -4.269 250 HD13 LEU 34 3HD1 LEU 34 3.630 -3.727 -4.636 251 HD21 LEU 34 3HD2 LEU 34 2.488 -1.624 -3.600 252 HD22 LEU 34 1HD2 LEU 34 0.963 -2.537 -3.419 253 HD23 LEU 34 2HD2 LEU 34 1.005 -1.027 -4.353 254 H TYR 35 H TYR 35 1.114 0.354 -9.325 255 HA TYR 35 HA TYR 35 3.625 0.616 -10.674 256 HB2 TYR 35 1HB TYR 35 2.508 1.662 -12.362 257 HB3 TYR 35 2HB TYR 35 1.268 0.637 -11.699 258 HD1 TYR 35 2HD TYR 35 -0.461 2.038 -9.938 259 HD2 TYR 35 1HD TYR 35 1.976 3.784 -13.027 260 HE1 TYR 35 2HE TYR 35 -1.887 3.891 -9.883 261 HE2 TYR 35 1HE TYR 35 0.562 5.780 -12.971 262 HH TYR 35 HH TYR 35 -1.006 6.924 -11.581 263 H ASP 36 H ASP 36 3.666 3.483 -11.425 264 HA ASP 36 HA ASP 36 4.815 4.667 -9.007 265 HB2 ASP 36 1HB ASP 36 5.292 6.559 -10.351 266 HB3 ASP 36 2HB ASP 36 5.788 5.109 -11.209 267 H GLY 37 H GLY 37 4.017 6.775 -8.271 268 HA2 GLY 37 1HA GLY 37 2.481 8.257 -7.548 269 HA3 GLY 37 2HA GLY 37 1.618 7.914 -9.040 270 H MET 38 H MET 38 1.640 5.029 -7.001 271 HA MET 38 HA MET 38 -1.091 5.038 -6.632 272 HB2 MET 38 1HB MET 38 1.106 3.401 -5.690 273 HB3 MET 38 2HB MET 38 0.134 3.780 -4.306 274 HG2 MET 38 1HG MET 38 -1.896 3.088 -5.400 275 HG3 MET 38 2HG MET 38 -1.047 2.701 -6.827 276 HE1 MET 38 3HE MET 38 -2.355 1.473 -3.563 277 HE2 MET 38 1HE MET 38 -2.926 0.720 -5.081 278 HE3 MET 38 2HE MET 38 -2.108 -0.268 -3.837 279 H PHE 39 H PHE 39 1.467 6.346 -4.540 280 HA PHE 39 HA PHE 39 -0.468 6.781 -2.340 281 HB2 PHE 39 1HB PHE 39 2.514 6.195 -2.316 282 HB3 PHE 39 2HB PHE 39 1.501 6.385 -0.888 283 HD1 PHE 39 1HD PHE 39 -0.816 4.812 -1.152 284 HD2 PHE 39 2HD PHE 39 3.124 3.902 -2.706 285 HE1 PHE 39 1HE PHE 39 -1.363 2.396 -1.200 286 HE2 PHE 39 2HE PHE 39 2.579 1.530 -2.700 287 HZ PHE 39 HZ PHE 39 0.343 0.740 -1.936 288 H SER 40 H SER 40 0.898 8.749 -4.593 289 HA SER 40 HA SER 40 2.418 10.618 -3.473 290 HB2 SER 40 1HB SER 40 0.090 11.277 -5.297 291 HB3 SER 40 2HB SER 40 1.682 12.058 -5.228 292 HG SER 40 HG SER 40 1.457 10.597 -6.968 293 H GLY 41 H GLY 41 2.349 11.979 -1.829 294 HA2 GLY 41 1HA GLY 41 1.541 13.821 -0.659 295 HA3 GLY 41 2HA GLY 41 -0.022 13.668 -1.460 296 H CYS 42 H CYS 42 1.282 10.825 0.077 297 HA CYS 42 HA CYS 42 -0.872 10.656 2.001 298 HB2 CYS 42 1HB CYS 42 0.357 8.745 2.809 299 HB3 CYS 42 2HB CYS 42 -0.143 8.625 1.136 300 HG CYS 42 HG CYS 42 2.088 9.105 0.004 301 H THR 43 H THR 43 -0.388 12.866 2.996 302 HA THR 43 HA THR 43 1.912 13.427 4.464 303 HB THR 43 HB THR 43 0.328 15.025 5.709 304 HG1 THR 43 1HG THR 43 -1.653 14.330 5.553 305 HG21 THR 43 3HG2 THR 43 -0.083 16.429 3.734 306 HG22 THR 43 1HG2 THR 43 0.220 15.042 2.673 307 HG23 THR 43 2HG2 THR 43 1.541 15.720 3.663 308 H ALA 44 H ALA 44 -0.648 11.170 5.369 309 HA ALA 44 HA ALA 44 1.229 10.423 7.519 310 HB1 ALA 44 1HB ALA 44 -0.496 10.076 9.146 311 HB2 ALA 44 2HB ALA 44 -0.591 11.754 8.585 312 HB3 ALA 44 3HB ALA 44 -1.769 10.565 8.000 313 H LEU 45 H LEU 45 1.592 9.052 5.356 314 HA LEU 45 HA LEU 45 0.299 6.426 6.040 315 HB2 LEU 45 1HB LEU 45 -0.031 6.939 3.745 316 HB3 LEU 45 2HB LEU 45 1.702 7.351 3.570 317 HG LEU 45 HG LEU 45 2.333 5.013 3.808 318 HD11 LEU 45 1HD1 LEU 45 0.482 4.180 5.237 319 HD12 LEU 45 2HD1 LEU 45 0.595 3.245 3.742 320 HD13 LEU 45 3HD1 LEU 45 -0.664 4.483 3.921 321 HD21 LEU 45 3HD2 LEU 45 0.169 5.669 1.751 322 HD22 LEU 45 1HD2 LEU 45 1.325 4.309 1.616 323 HD23 LEU 45 2HD2 LEU 45 1.897 5.986 1.608 324 H GLU 46 H GLU 46 1.566 5.295 7.474 325 HA GLU 46 HA GLU 46 4.517 5.351 7.090 326 HB2 GLU 46 1HB GLU 46 3.147 5.699 9.769 327 HB3 GLU 46 2HB GLU 46 4.874 5.654 9.453 328 HG2 GLU 46 1HG GLU 46 4.749 7.717 8.108 329 HG3 GLU 46 2HG GLU 46 3.021 7.853 8.481 330 H LYS 47 H LYS 47 2.244 3.262 6.594 331 HA LYS 47 HA LYS 47 3.953 1.130 7.420 332 HB2 LYS 47 1HB LYS 47 1.404 1.585 8.938 333 HB3 LYS 47 2HB LYS 47 1.625 -0.036 8.333 334 HG2 LYS 47 1HG LYS 47 4.120 0.679 9.515 335 HG3 LYS 47 2HG LYS 47 2.895 1.269 10.613 336 HD2 LYS 47 1HD LYS 47 1.915 -0.931 10.870 337 HD3 LYS 47 2HD LYS 47 2.783 -1.557 9.473 338 HE2 LYS 47 1HE LYS 47 3.737 -2.419 11.530 339 HE3 LYS 47 2HE LYS 47 4.909 -1.489 10.590 340 HZ1 LYS 47 3HZ LYS 47 3.449 -0.405 12.915 341 HZ2 LYS 47 1HZ LYS 47 4.690 0.312 12.092 342 HZ3 LYS 47 2HZ LYS 47 4.987 -1.044 12.944 343 H LEU 48 H LEU 48 3.489 -0.796 6.337 344 HA LEU 48 HA LEU 48 1.231 -0.924 4.478 345 HB2 LEU 48 1HB LEU 48 3.176 0.074 3.201 346 HB3 LEU 48 2HB LEU 48 4.149 -1.302 3.654 347 HG LEU 48 HG LEU 48 2.151 -2.697 2.528 348 HD11 LEU 48 1HD1 LEU 48 0.641 -0.886 2.098 349 HD12 LEU 48 2HD1 LEU 48 1.267 -1.418 0.535 350 HD13 LEU 48 3HD1 LEU 48 1.887 0.066 1.272 351 HD21 LEU 48 3HD2 LEU 48 4.561 -2.492 1.727 352 HD22 LEU 48 1HD2 LEU 48 3.958 -1.240 0.604 353 HD23 LEU 48 2HD2 LEU 48 3.308 -2.884 0.551 354 H ILE 49 H ILE 49 0.540 -3.165 4.452 355 HA ILE 49 HA ILE 49 2.371 -5.155 5.694 356 HB ILE 49 HB ILE 49 -0.609 -5.009 6.272 357 HG12 ILE 49 1HG1 ILE 49 0.556 -4.718 8.707 358 HG13 ILE 49 2HG1 ILE 49 1.742 -3.853 7.760 359 HG21 ILE 49 1HG2 ILE 49 0.316 -7.295 6.304 360 HG22 ILE 49 2HG2 ILE 49 1.637 -6.761 7.368 361 HG23 ILE 49 3HG2 ILE 49 -0.040 -6.771 7.945 362 HD11 ILE 49 3HD1 ILE 49 0.051 -2.311 8.642 363 HD12 ILE 49 1HD1 ILE 49 -0.107 -2.361 6.878 364 HD13 ILE 49 2HD1 ILE 49 -1.252 -3.258 7.897 365 H LEU 50 H LEU 50 2.399 -7.087 4.675 366 HA LEU 50 HA LEU 50 0.742 -7.344 2.181 367 HB2 LEU 50 1HB LEU 50 3.538 -8.415 2.751 368 HB3 LEU 50 2HB LEU 50 2.606 -8.718 1.303 369 HG LEU 50 HG LEU 50 3.977 -6.210 2.175 370 HD11 LEU 50 1HD1 LEU 50 5.200 -7.779 0.804 371 HD12 LEU 50 2HD1 LEU 50 4.938 -6.245 -0.039 372 HD13 LEU 50 3HD1 LEU 50 3.956 -7.666 -0.461 373 HD21 LEU 50 3HD2 LEU 50 1.688 -6.340 0.211 374 HD22 LEU 50 1HD2 LEU 50 2.915 -5.074 0.131 375 HD23 LEU 50 2HD2 LEU 50 1.900 -5.218 1.564 376 H THR 51 H THR 51 -0.798 -8.882 2.383 377 HA THR 51 HA THR 51 -0.508 -10.995 4.384 378 HB THR 51 HB THR 51 -2.815 -11.383 4.085 379 HG1 THR 51 1HG THR 51 -3.070 -11.395 1.960 380 HG21 THR 51 3HG2 THR 51 -3.866 -9.202 4.429 381 HG22 THR 51 1HG2 THR 51 -2.451 -8.371 3.775 382 HG23 THR 51 2HG2 THR 51 -2.317 -9.272 5.299 383 H GLY 52 H GLY 52 1.323 -11.220 2.189 384 HA2 GLY 52 1HA GLY 52 0.514 -13.861 1.033 385 HA3 GLY 52 2HA GLY 52 1.307 -12.664 0.021 386 H GLU 53 H GLU 53 2.399 -15.237 0.597 387 HA GLU 53 HA GLU 53 4.545 -14.686 2.566 388 HB2 GLU 53 1HB GLU 53 3.306 -17.226 1.470 389 HB3 GLU 53 2HB GLU 53 4.756 -17.198 2.506 390 HG2 GLU 53 1HG GLU 53 3.591 -16.170 4.330 391 HG3 GLU 53 2HG GLU 53 2.127 -15.969 3.362 392 H ASP 54 H ASP 54 4.428 -14.497 -0.868 393 HA ASP 54 HA ASP 54 7.270 -15.078 -0.973 394 HB2 ASP 54 1HB ASP 54 6.919 -16.661 -2.424 395 HB3 ASP 54 2HB ASP 54 5.291 -16.758 -1.850 396 HA PRO 55 HA PRO 55 7.372 -11.090 -2.712 397 HB2 PRO 55 1HB PRO 55 9.753 -11.180 -4.158 398 HB3 PRO 55 2HB PRO 55 9.618 -11.037 -2.383 399 HG2 PRO 55 1HG PRO 55 10.169 -13.471 -4.069 400 HG3 PRO 55 2HG PRO 55 10.908 -13.013 -2.515 401 HD2 PRO 55 1HD PRO 55 8.907 -14.857 -2.658 402 HD3 PRO 55 2HD PRO 55 9.058 -13.722 -1.285 403 H SER 56 H SER 56 7.684 -13.699 -5.075 404 HA SER 56 HA SER 56 7.434 -12.015 -7.417 405 HB2 SER 56 1HB SER 56 6.844 -14.985 -7.028 406 HB3 SER 56 2HB SER 56 6.859 -14.158 -8.589 407 HG SER 56 HG SER 56 8.932 -14.007 -8.567 408 H ALA 57 H ALA 57 5.112 -13.419 -5.158 409 HA ALA 57 HA ALA 57 2.765 -12.943 -6.757 410 HB1 ALA 57 1HB ALA 57 3.171 -13.358 -3.769 411 HB2 ALA 57 2HB ALA 57 1.600 -13.276 -4.588 412 HB3 ALA 57 3HB ALA 57 2.717 -14.562 -5.000 413 H TYR 58 H TYR 58 4.923 -10.585 -5.773 414 HA TYR 58 HA TYR 58 2.729 -8.629 -5.958 415 HB2 TYR 58 1HB TYR 58 5.125 -8.445 -4.102 416 HB3 TYR 58 2HB TYR 58 4.048 -7.110 -4.516 417 HD1 TYR 58 2HD TYR 58 4.111 -10.482 -2.876 418 HD2 TYR 58 1HD TYR 58 2.083 -6.701 -3.294 419 HE1 TYR 58 2HE TYR 58 2.624 -11.103 -1.044 420 HE2 TYR 58 1HE TYR 58 0.555 -7.314 -1.441 421 HH TYR 58 HH TYR 58 0.812 -10.460 0.248 422 H SER 59 H SER 59 3.302 -6.783 -7.216 423 HA SER 59 HA SER 59 5.956 -6.775 -8.507 424 HB2 SER 59 1HB SER 59 3.368 -6.730 -10.031 425 HB3 SER 59 2HB SER 59 4.966 -6.550 -10.708 426 HG SER 59 HG SER 59 4.648 -8.589 -11.052 427 H ALA 60 H ALA 60 6.628 -4.790 -8.818 428 HA ALA 60 HA ALA 60 4.833 -2.439 -8.390 429 HB1 ALA 60 1HB ALA 60 5.711 -3.457 -6.188 430 HB2 ALA 60 2HB ALA 60 7.313 -2.870 -6.703 431 HB3 ALA 60 3HB ALA 60 5.948 -1.735 -6.487 432 H GLY 61 H GLY 61 7.156 -3.604 -10.201 433 HA2 GLY 61 1HA GLY 61 8.093 -2.779 -12.123 434 HA3 GLY 61 2HA GLY 61 7.235 -1.272 -11.773 435 H ASP 62 H ASP 62 8.242 -0.085 -9.912 436 HA ASP 62 HA ASP 62 10.939 0.369 -9.399 437 HB2 ASP 62 1HB ASP 62 11.222 0.657 -11.804 438 HB3 ASP 62 2HB ASP 62 9.872 1.791 -11.865 439 H GLY 63 H GLY 63 7.696 1.532 -10.216 440 HA2 GLY 63 1HA GLY 63 7.921 4.116 -9.024 441 HA3 GLY 63 2HA GLY 63 6.492 3.342 -9.686 442 H LEU 64 H LEU 64 7.689 1.319 -7.346 443 HA LEU 64 HA LEU 64 5.433 0.860 -6.205 444 HB2 LEU 64 1HB LEU 64 7.402 -0.451 -5.698 445 HB3 LEU 64 2HB LEU 64 8.101 0.853 -4.778 446 HG LEU 64 HG LEU 64 6.622 0.646 -2.959 447 HD11 LEU 64 1HD1 LEU 64 4.998 -1.474 -4.419 448 HD12 LEU 64 2HD1 LEU 64 4.436 0.173 -4.044 449 HD13 LEU 64 3HD1 LEU 64 4.801 -0.928 -2.731 450 HD21 LEU 64 3HD2 LEU 64 8.437 -1.034 -3.096 451 HD22 LEU 64 1HD2 LEU 64 7.318 -2.175 -3.875 452 HD23 LEU 64 2HD2 LEU 64 7.033 -1.627 -2.201 453 H ARG 65 H ARG 65 7.653 3.231 -4.568 454 HA ARG 65 HA ARG 65 5.276 4.238 -3.046 455 HB2 ARG 65 1HB ARG 65 6.739 4.594 -1.130 456 HB3 ARG 65 2HB ARG 65 6.624 2.924 -1.624 457 HG2 ARG 65 1HG ARG 65 8.824 2.785 -1.558 458 HG3 ARG 65 2HG ARG 65 8.942 3.800 -2.977 459 HD2 ARG 65 1HD ARG 65 8.766 4.963 -0.163 460 HD3 ARG 65 2HD ARG 65 10.283 4.424 -0.884 461 HE ARG 65 HE ARG 65 8.692 6.325 -2.439 462 HH11 ARG 65 1HH1 ARG 65 11.109 6.118 0.089 463 HH12 ARG 65 2HH1 ARG 65 11.852 7.624 -0.316 464 HH21 ARG 65 1HH2 ARG 65 9.957 8.122 -3.270 465 HH22 ARG 65 2HH2 ARG 65 11.348 8.639 -2.364 466 H ASP 66 H ASP 66 6.017 5.386 -5.613 467 HA ASP 66 HA ASP 66 7.540 7.759 -5.148 468 HB2 ASP 66 1HB ASP 66 6.656 6.755 -7.400 469 HB3 ASP 66 2HB ASP 66 5.256 7.785 -7.115 470 H GLY 67 H GLY 67 7.032 9.730 -4.246 471 HA2 GLY 67 1HA GLY 67 5.897 11.336 -3.147 472 HA3 GLY 67 2HA GLY 67 4.402 10.668 -3.792 473 H ALA 68 H ALA 68 6.437 8.516 -1.910 474 HA ALA 68 HA ALA 68 5.049 9.061 0.631 475 HB1 ALA 68 1HB ALA 68 4.438 6.692 0.821 476 HB2 ALA 68 2HB ALA 68 3.744 7.392 -0.667 477 HB3 ALA 68 3HB ALA 68 5.181 6.346 -0.758 478 H ASP 69 H ASP 69 6.026 7.404 2.325 479 HA ASP 69 HA ASP 69 8.643 6.296 1.839 480 HB2 ASP 69 1HB ASP 69 9.433 8.560 2.210 481 HB3 ASP 69 2HB ASP 69 8.368 8.748 3.606 482 H PHE 70 H PHE 70 7.846 4.299 2.679 483 HA PHE 70 HA PHE 70 7.267 4.284 5.563 484 HB2 PHE 70 1HB PHE 70 5.247 2.855 5.202 485 HB3 PHE 70 2HB PHE 70 5.056 4.503 4.640 486 HD1 PHE 70 1HD PHE 70 5.877 1.008 3.407 487 HD2 PHE 70 2HD PHE 70 4.432 4.955 2.402 488 HE1 PHE 70 1HE PHE 70 5.357 0.244 1.175 489 HE2 PHE 70 2HE PHE 70 3.813 4.137 0.134 490 HZ PHE 70 HZ PHE 70 4.278 1.779 -0.504 491 H LEU 71 H LEU 71 7.075 2.075 6.378 492 HA LEU 71 HA LEU 71 9.136 0.234 5.380 493 HB2 LEU 71 1HB LEU 71 7.403 0.316 7.881 494 HB3 LEU 71 2HB LEU 71 8.575 -0.957 7.544 495 HG LEU 71 HG LEU 71 9.281 1.992 7.888 496 HD11 LEU 71 1HD1 LEU 71 8.428 1.014 9.963 497 HD12 LEU 71 2HD1 LEU 71 10.188 1.207 10.068 498 HD13 LEU 71 3HD1 LEU 71 9.499 -0.392 9.764 499 HD21 LEU 71 3HD2 LEU 71 10.956 0.859 6.527 500 HD22 LEU 71 1HD2 LEU 71 11.031 -0.503 7.677 501 HD23 LEU 71 2HD2 LEU 71 11.606 1.105 8.141 502 H ILE 72 H ILE 72 8.711 -1.971 5.080 503 HA ILE 72 HA ILE 72 6.003 -2.698 4.138 504 HB ILE 72 HB ILE 72 8.731 -3.586 3.252 505 HG12 ILE 72 1HG1 ILE 72 6.889 -1.981 1.490 506 HG13 ILE 72 2HG1 ILE 72 7.859 -1.118 2.662 507 HG21 ILE 72 1HG2 ILE 72 6.067 -4.186 1.915 508 HG22 ILE 72 2HG2 ILE 72 7.663 -4.728 1.381 509 HG23 ILE 72 3HG2 ILE 72 6.985 -5.331 2.892 510 HD11 ILE 72 3HD1 ILE 72 9.070 -1.276 0.559 511 HD12 ILE 72 1HD1 ILE 72 9.903 -2.146 1.858 512 HD13 ILE 72 2HD1 ILE 72 8.999 -3.049 0.632 513 H CYS 73 H CYS 73 5.124 -3.752 5.985 514 HA CYS 73 HA CYS 73 6.736 -5.691 7.417 515 HB2 CYS 73 1HB CYS 73 3.733 -5.182 7.520 516 HB3 CYS 73 2HB CYS 73 4.654 -6.242 8.598 517 HG CYS 73 HG CYS 73 4.895 -2.976 8.166 518 H VAL 74 H VAL 74 6.953 -7.848 6.864 519 HA VAL 74 HA VAL 74 4.878 -9.158 5.187 520 HB VAL 74 HB VAL 74 6.533 -10.339 3.881 521 HG11 VAL 74 1HG1 VAL 74 5.830 -8.089 3.080 522 HG12 VAL 74 2HG1 VAL 74 7.327 -7.425 3.765 523 HG13 VAL 74 3HG1 VAL 74 7.401 -8.639 2.472 524 HG21 VAL 74 3HG2 VAL 74 8.404 -10.666 5.275 525 HG22 VAL 74 1HG2 VAL 74 8.969 -9.698 3.923 526 HG23 VAL 74 2HG2 VAL 74 8.670 -8.916 5.498 527 HA PRO 75 HA PRO 75 5.114 -12.128 8.490 528 HB2 PRO 75 1HB PRO 75 4.956 -14.626 7.239 529 HB3 PRO 75 2HB PRO 75 3.577 -13.558 7.583 530 HG2 PRO 75 1HG PRO 75 5.056 -13.969 5.014 531 HG3 PRO 75 2HG PRO 75 3.313 -13.678 5.255 532 HD2 PRO 75 1HD PRO 75 5.084 -11.756 4.429 533 HD3 PRO 75 2HD PRO 75 3.625 -11.366 5.356 534 H GLU 76 H GLU 76 6.671 -13.483 9.631 535 HA GLU 76 HA GLU 76 9.335 -13.187 8.869 536 HB2 GLU 76 1HB GLU 76 9.973 -14.762 10.577 537 HB3 GLU 76 2HB GLU 76 8.783 -13.607 11.154 538 HG2 GLU 76 1HG GLU 76 7.009 -15.275 10.986 539 HG3 GLU 76 2HG GLU 76 8.114 -16.441 10.267 540 H GLU 77 H GLU 77 7.171 -15.935 8.169 541 HA GLU 77 HA GLU 77 9.310 -17.547 7.176 542 HB2 GLU 77 1HB GLU 77 6.532 -17.957 7.712 543 HB3 GLU 77 2HB GLU 77 6.801 -18.391 6.025 544 HG2 GLU 77 1HG GLU 77 8.886 -19.711 6.932 545 HG3 GLU 77 2HG GLU 77 8.150 -19.509 8.518 546 H ALA 78 H ALA 78 7.911 -14.797 5.790 547 HA ALA 78 HA ALA 78 8.761 -15.553 3.030 548 HB1 ALA 78 1HB ALA 78 7.306 -13.072 4.012 549 HB2 ALA 78 2HB ALA 78 7.580 -13.570 2.333 550 HB3 ALA 78 3HB ALA 78 6.526 -14.539 3.373 551 H LEU 79 H LEU 79 10.125 -14.083 5.814 552 HA LEU 79 HA LEU 79 11.016 -11.653 4.766 553 HB2 LEU 79 1HB LEU 79 10.938 -12.476 7.194 554 HB3 LEU 79 2HB LEU 79 12.463 -13.273 6.915 555 HG LEU 79 HG LEU 79 13.634 -11.227 6.641 556 HD11 LEU 79 1HD1 LEU 79 10.989 -9.735 6.545 557 HD12 LEU 79 2HD1 LEU 79 12.216 -9.848 5.261 558 HD13 LEU 79 3HD1 LEU 79 12.570 -8.973 6.752 559 HD21 LEU 79 3HD2 LEU 79 12.903 -11.880 8.972 560 HD22 LEU 79 1HD2 LEU 79 11.583 -10.711 8.825 561 HD23 LEU 79 2HD2 LEU 79 13.273 -10.154 8.784 562 H ASP 80 H ASP 80 12.780 -14.718 5.020 563 HA ASP 80 HA ASP 80 15.264 -13.845 3.870 564 HB2 ASP 80 1HB ASP 80 14.687 -15.947 5.286 565 HB3 ASP 80 2HB ASP 80 14.104 -16.660 3.783 566 H ARG 81 H ARG 81 12.310 -15.446 2.484 567 HA ARG 81 HA ARG 81 13.153 -15.791 -0.150 568 HB2 ARG 81 1HB ARG 81 10.510 -15.361 1.252 569 HB3 ARG 81 2HB ARG 81 10.565 -15.145 -0.478 570 HG2 ARG 81 1HG ARG 81 11.527 -17.426 -0.733 571 HG3 ARG 81 2HG ARG 81 11.294 -17.675 1.015 572 HD2 ARG 81 1HD ARG 81 8.845 -17.177 0.713 573 HD3 ARG 81 2HD ARG 81 9.123 -16.947 -1.016 574 HE ARG 81 HE ARG 81 9.384 -19.186 -1.366 575 HH11 ARG 81 1HH1 ARG 81 8.969 -18.579 2.107 576 HH12 ARG 81 2HH1 ARG 81 8.740 -20.225 2.536 577 HH21 ARG 81 1HH2 ARG 81 9.107 -21.425 -0.806 578 HH22 ARG 81 2HH2 ARG 81 8.710 -21.858 0.834 579 H TYR 82 H TYR 82 11.500 -12.872 1.259 580 HA TYR 82 HA TYR 82 11.631 -11.345 -1.149 581 HB2 TYR 82 1HB TYR 82 11.291 -10.731 1.799 582 HB3 TYR 82 2HB TYR 82 11.661 -9.424 0.694 583 HD1 TYR 82 2HD TYR 82 9.236 -12.323 0.916 584 HD2 TYR 82 1HD TYR 82 9.913 -8.232 -0.284 585 HE1 TYR 82 2HE TYR 82 6.855 -12.107 0.302 586 HE2 TYR 82 1HE TYR 82 7.537 -8.033 -0.930 587 HH TYR 82 HH TYR 82 5.162 -10.197 0.062 588 H ARG 83 H ARG 83 13.983 -11.758 1.560 589 HA ARG 83 HA ARG 83 15.768 -9.751 0.521 590 HB2 ARG 83 1HB ARG 83 15.963 -11.923 2.613 591 HB3 ARG 83 2HB ARG 83 17.438 -11.146 2.048 592 HG2 ARG 83 1HG ARG 83 16.060 -8.910 2.482 593 HG3 ARG 83 2HG ARG 83 15.065 -9.991 3.494 594 HD2 ARG 83 1HD ARG 83 16.659 -8.859 4.844 595 HD3 ARG 83 2HD ARG 83 17.131 -10.571 4.764 596 HE ARG 83 HE ARG 83 18.328 -8.489 2.995 597 HH11 ARG 83 1HH1 ARG 83 18.953 -11.245 5.224 598 HH12 ARG 83 2HH1 ARG 83 20.656 -11.145 4.988 599 HH21 ARG 83 1HH2 ARG 83 20.444 -8.437 2.704 600 HH22 ARG 83 2HH2 ARG 83 21.559 -9.550 3.466 601 H ARG 84 H ARG 84 15.375 -13.171 -0.360 602 HA ARG 84 HA ARG 84 17.864 -13.062 -1.965 603 HB2 ARG 84 1HB ARG 84 15.716 -15.229 -1.880 604 HB3 ARG 84 2HB ARG 84 17.289 -15.325 -2.679 605 HG2 ARG 84 1HG ARG 84 18.344 -14.853 -0.384 606 HG3 ARG 84 2HG ARG 84 16.729 -15.182 0.261 607 HD2 ARG 84 1HD ARG 84 17.094 -17.319 0.298 608 HD3 ARG 84 2HD ARG 84 17.290 -17.351 -1.465 609 HE ARG 84 HE ARG 84 19.733 -16.435 -0.369 610 HH11 ARG 84 1HH1 ARG 84 17.737 -19.330 -0.084 611 HH12 ARG 84 2HH1 ARG 84 19.064 -20.419 0.140 612 HH21 ARG 84 1HH2 ARG 84 21.434 -17.737 0.043 613 HH22 ARG 84 2HH2 ARG 84 21.304 -19.461 0.332 614 H ASP 85 H ASP 85 14.862 -11.676 -2.454 615 HA ASP 85 HA ASP 85 14.160 -12.716 -5.003 616 HB2 ASP 85 1HB ASP 85 12.601 -11.577 -3.410 617 HB3 ASP 85 2HB ASP 85 13.448 -10.062 -3.740 618 H TYR 86 H TYR 86 14.046 -11.521 -7.043 619 HA TYR 86 HA TYR 86 16.546 -10.048 -7.533 620 HB2 TYR 86 1HB TYR 86 15.592 -12.145 -8.795 621 HB3 TYR 86 2HB TYR 86 14.717 -10.930 -9.730 622 HD1 TYR 86 1HD TYR 86 17.441 -9.001 -9.113 623 HD2 TYR 86 2HD TYR 86 16.565 -12.788 -11.008 624 HE1 TYR 86 1HE TYR 86 19.410 -8.742 -10.587 625 HE2 TYR 86 2HE TYR 86 18.577 -12.529 -12.436 626 HH TYR 86 HH TYR 86 20.893 -11.087 -12.164 627 H PHE 87 H PHE 87 14.014 -8.999 -6.456 628 HA PHE 87 HA PHE 87 14.258 -6.356 -7.743 629 HB2 PHE 87 1HB PHE 87 12.225 -7.186 -8.740 630 HB3 PHE 87 2HB PHE 87 11.556 -7.668 -7.194 631 HD1 PHE 87 2HD PHE 87 12.529 -4.714 -9.267 632 HD2 PHE 87 1HD PHE 87 10.390 -6.082 -5.780 633 HE1 PHE 87 2HE PHE 87 11.357 -2.544 -9.144 634 HE2 PHE 87 1HE PHE 87 9.242 -3.888 -5.633 635 HZ PHE 87 HZ PHE 87 9.677 -2.129 -7.347 636 H TRP 88 H TRP 88 12.339 -7.936 -5.157 637 HA TRP 88 HA TRP 88 12.134 -5.707 -3.542 638 HB2 TRP 88 1HB TRP 88 11.907 -8.660 -2.890 639 HB3 TRP 88 2HB TRP 88 11.557 -7.407 -1.722 640 HD1 TRP 88 HD TRP 88 10.016 -9.151 -4.688 641 HE1 TRP 88 1HE TRP 88 7.581 -8.514 -4.863 642 HE3 TRP 88 3HE TRP 88 10.082 -5.134 -1.532 643 HZ2 TRP 88 2HZ TRP 88 5.951 -6.174 -4.081 644 HZ3 TRP 88 3HZ TRP 88 8.078 -3.692 -1.302 645 HH2 TRP 88 HH TRP 88 6.012 -4.219 -2.567 646 H GLN 89 H GLN 89 14.999 -7.648 -3.732 647 HA GLN 89 HA GLN 89 16.376 -7.021 -1.355 648 HB2 GLN 89 1HB GLN 89 17.063 -7.304 -4.295 649 HB3 GLN 89 2HB GLN 89 18.246 -6.557 -3.230 650 HG2 GLN 89 1HG GLN 89 17.989 -8.511 -1.661 651 HG3 GLN 89 2HG GLN 89 16.963 -9.300 -2.853 652 HE21 GLN 89 1HE2 GLN 89 17.909 -9.907 -4.870 653 HE22 GLN 89 2HE2 GLN 89 19.633 -10.135 -5.122 654 H THR 90 H THR 90 15.796 -4.897 -4.195 655 HA THR 90 HA THR 90 17.251 -2.683 -3.211 656 HB THR 90 HB THR 90 16.447 -3.262 -5.551 657 HG1 THR 90 1HG THR 90 15.888 -0.855 -5.878 658 HG21 THR 90 3HG2 THR 90 14.330 -2.629 -6.317 659 HG22 THR 90 1HG2 THR 90 14.001 -1.646 -4.870 660 HG23 THR 90 2HG2 THR 90 13.995 -3.420 -4.778 661 H TYR 91 H TYR 91 14.193 -3.899 -2.059 662 HA TYR 91 HA TYR 91 13.669 -1.347 -0.629 663 HB2 TYR 91 1HB TYR 91 11.755 -3.556 -1.372 664 HB3 TYR 91 2HB TYR 91 11.375 -2.247 -0.264 665 HD1 TYR 91 2HD TYR 91 10.963 0.109 -1.076 666 HD2 TYR 91 1HD TYR 91 11.933 -3.110 -3.810 667 HE1 TYR 91 2HE TYR 91 10.496 1.565 -2.957 668 HE2 TYR 91 1HE TYR 91 11.490 -1.600 -5.704 669 HH TYR 91 HH TYR 91 11.421 0.928 -6.182 670 H ALA 92 H ALA 92 15.557 -3.881 -0.038 671 HA ALA 92 HA ALA 92 14.485 -5.050 2.364 672 HB1 ALA 92 1HB ALA 92 17.340 -4.922 1.333 673 HB2 ALA 92 2HB ALA 92 16.707 -6.018 2.579 674 HB3 ALA 92 3HB ALA 92 16.154 -6.176 0.909 675 H ALA 93 H ALA 93 15.765 -1.944 1.726 676 HA ALA 93 HA ALA 93 16.727 -1.480 4.410 677 HB1 ALA 93 1HB ALA 93 16.939 0.857 3.686 678 HB2 ALA 93 2HB ALA 93 17.644 -0.212 2.460 679 HB3 ALA 93 3HB ALA 93 16.048 0.519 2.202 680 H TRP 94 H TRP 94 13.612 -1.857 3.131 681 HA TRP 94 HA TRP 94 12.438 -0.308 5.386 682 HB2 TRP 94 1HB TRP 94 11.441 -0.535 2.528 683 HB3 TRP 94 2HB TRP 94 10.506 0.150 3.836 684 HD1 TRP 94 HD TRP 94 11.242 2.575 4.766 685 HE1 TRP 94 1HE TRP 94 12.717 4.431 3.791 686 HE3 TRP 94 3HE TRP 94 13.468 -0.075 1.043 687 HZ2 TRP 94 2HZ TRP 94 14.406 4.778 1.471 688 HZ3 TRP 94 3HZ TRP 94 15.040 1.045 -0.569 689 HH2 TRP 94 HH TRP 94 15.473 3.476 -0.363 690 H ILE 95 H ILE 95 12.647 -3.391 3.780 691 HA ILE 95 HA ILE 95 10.070 -4.336 4.637 692 HB ILE 95 HB ILE 95 12.593 -5.784 3.802 693 HG12 ILE 95 1HG1 ILE 95 9.895 -5.659 2.355 694 HG13 ILE 95 2HG1 ILE 95 11.054 -4.359 2.150 695 HG21 ILE 95 1HG2 ILE 95 11.063 -7.831 3.577 696 HG22 ILE 95 2HG2 ILE 95 11.369 -7.331 5.238 697 HG23 ILE 95 3HG2 ILE 95 9.826 -6.924 4.458 698 HD11 ILE 95 3HD1 ILE 95 12.728 -5.905 1.263 699 HD12 ILE 95 1HD1 ILE 95 11.604 -7.266 1.451 700 HD13 ILE 95 2HD1 ILE 95 11.232 -5.953 0.323 701 H GLN 96 H GLN 96 9.457 -5.442 6.544 702 HA GLN 96 HA GLN 96 11.533 -6.294 8.356 703 HB2 GLN 96 1HB GLN 96 10.262 -5.261 10.326 704 HB3 GLN 96 2HB GLN 96 11.324 -4.226 9.378 705 HG2 GLN 96 1HG GLN 96 9.450 -3.110 8.387 706 HG3 GLN 96 2HG GLN 96 8.308 -4.321 8.997 707 HE21 GLN 96 1HE2 GLN 96 11.064 -2.717 10.793 708 HE22 GLN 96 2HE2 GLN 96 10.010 -2.055 12.010 709 HA PRO 97 HA PRO 97 8.437 -9.378 9.189 710 HB2 PRO 97 1HB PRO 97 8.891 -10.010 11.842 711 HB3 PRO 97 2HB PRO 97 9.881 -10.595 10.472 712 HG2 PRO 97 1HG PRO 97 10.400 -8.259 12.328 713 HG3 PRO 97 2HG PRO 97 11.563 -9.491 11.724 714 HD2 PRO 97 1HD PRO 97 11.346 -6.990 10.662 715 HD3 PRO 97 2HD PRO 97 11.746 -8.398 9.649 716 H MET 98 H MET 98 6.483 -9.720 9.938 717 HA MET 98 HA MET 98 4.952 -7.632 11.246 718 HB2 MET 98 1HB MET 98 4.348 -10.527 10.471 719 HB3 MET 98 2HB MET 98 3.200 -9.502 11.319 720 HG2 MET 98 1HG MET 98 3.561 -7.783 9.470 721 HG3 MET 98 2HG MET 98 4.249 -9.114 8.538 722 HE1 MET 98 3HE MET 98 2.667 -9.650 6.632 723 HE2 MET 98 1HE MET 98 2.741 -11.153 7.593 724 HE3 MET 98 2HE MET 98 1.189 -10.582 6.949 725 H GLU 99 H GLU 99 3.512 -8.423 13.166 726 HA GLU 99 HA GLU 99 4.791 -10.064 15.203 727 HB2 GLU 99 1HB GLU 99 4.012 -7.109 15.439 728 HB3 GLU 99 2HB GLU 99 4.223 -8.191 16.814 729 HG2 GLU 99 1HG GLU 99 6.577 -8.482 16.354 730 HG3 GLU 99 2HG GLU 99 6.426 -7.590 14.819 731 H GLN 100 H GLN 100 2.969 -9.860 17.091 732 HA GLN 100 HA GLN 100 0.242 -9.519 15.984 733 HB2 GLN 100 1HB GLN 100 -0.517 -10.606 18.152 734 HB3 GLN 100 2HB GLN 100 0.152 -11.682 16.920 735 HG2 GLN 100 1HG GLN 100 2.273 -11.822 18.089 736 HG3 GLN 100 2HG GLN 100 1.749 -10.656 19.313 737 HE21 GLN 100 1HE2 GLN 100 2.728 -13.214 19.885 738 HE22 GLN 100 2HE2 GLN 100 1.483 -13.948 20.876 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -23.242 6.011 -12.224 2 HA2 GLY 1 1HA GLY 1 -21.094 7.244 -12.243 3 HA3 GLY 1 2HA GLY 1 -21.639 8.008 -10.733 4 H SER 2 H SER 2 -19.268 6.750 -10.610 5 HA SER 2 HA SER 2 -19.802 4.363 -8.908 6 HB2 SER 2 1HB SER 2 -17.176 5.674 -9.751 7 HB3 SER 2 2HB SER 2 -17.354 4.359 -8.578 8 HG SER 2 HG SER 2 -17.373 3.026 -10.126 9 H HIS 3 H HIS 3 -20.315 4.974 -6.862 10 HA HIS 3 HA HIS 3 -18.939 7.285 -5.685 11 HB2 HIS 3 1HB HIS 3 -21.904 6.729 -5.385 12 HB3 HIS 3 2HB HIS 3 -20.975 7.881 -4.430 13 HD1 HIS 3 1HD HIS 3 -23.103 7.854 -7.412 14 HD2 HIS 3 2HD HIS 3 -19.756 9.974 -5.964 15 HE1 HIS 3 1HE HIS 3 -23.052 10.038 -8.685 16 H GLU 4 H GLU 4 -17.792 5.024 -5.523 17 HA GLU 4 HA GLU 4 -17.776 4.433 -2.741 18 HB2 GLU 4 1HB GLU 4 -18.784 2.392 -4.681 19 HB3 GLU 4 2HB GLU 4 -17.410 1.853 -3.721 20 HG2 GLU 4 1HG GLU 4 -18.574 2.329 -1.638 21 HG3 GLU 4 2HG GLU 4 -19.936 3.034 -2.506 22 H GLY 5 H GLY 5 -15.636 3.292 -2.333 23 HA2 GLY 5 1HA GLY 5 -13.474 2.627 -3.547 24 HA3 GLY 5 2HA GLY 5 -13.616 4.199 -4.328 25 H GLU 6 H GLU 6 -13.903 2.937 -0.988 26 HA GLU 6 HA GLU 6 -12.457 5.247 0.112 27 HB2 GLU 6 1HB GLU 6 -13.965 3.005 1.252 28 HB3 GLU 6 2HB GLU 6 -12.424 3.221 2.044 29 HG2 GLU 6 1HG GLU 6 -13.000 5.714 2.264 30 HG3 GLU 6 2HG GLU 6 -14.603 5.319 1.649 31 HA PRO 7 HA PRO 7 -8.580 3.871 -0.694 32 HB2 PRO 7 1HB PRO 7 -6.962 4.903 1.191 33 HB3 PRO 7 2HB PRO 7 -8.024 5.960 0.228 34 HG2 PRO 7 1HG PRO 7 -8.632 4.789 2.990 35 HG3 PRO 7 2HG PRO 7 -8.725 6.498 2.485 36 HD2 PRO 7 1HD PRO 7 -10.888 4.896 2.479 37 HD3 PRO 7 2HD PRO 7 -10.655 6.126 1.197 38 H VAL 8 H VAL 8 -9.282 1.517 -0.435 39 HA VAL 8 HA VAL 8 -7.243 0.251 1.259 40 HB VAL 8 HB VAL 8 -9.322 0.258 2.610 41 HG11 VAL 8 1HG1 VAL 8 -11.004 0.080 0.831 42 HG12 VAL 8 2HG1 VAL 8 -10.451 -1.567 0.464 43 HG13 VAL 8 3HG1 VAL 8 -11.206 -1.207 2.025 44 HG21 VAL 8 3HG2 VAL 8 -8.541 -2.567 1.836 45 HG22 VAL 8 1HG2 VAL 8 -7.604 -1.504 2.928 46 HG23 VAL 8 2HG2 VAL 8 -9.244 -2.011 3.362 47 H VAL 9 H VAL 9 -6.773 -1.996 0.600 48 HA VAL 9 HA VAL 9 -6.681 -2.163 -2.333 49 HB VAL 9 HB VAL 9 -5.323 -3.841 -0.157 50 HG11 VAL 9 1HG1 VAL 9 -3.873 -4.680 -1.899 51 HG12 VAL 9 2HG1 VAL 9 -5.538 -5.018 -2.360 52 HG13 VAL 9 3HG1 VAL 9 -4.682 -3.670 -3.120 53 HG21 VAL 9 3HG2 VAL 9 -4.577 -1.446 -0.205 54 HG22 VAL 9 1HG2 VAL 9 -3.344 -2.643 -0.535 55 HG23 VAL 9 2HG2 VAL 9 -4.024 -1.721 -1.879 56 H GLY 10 H GLY 10 -8.762 -2.877 -3.035 57 HA2 GLY 10 1HA GLY 10 -9.093 -5.743 -2.744 58 HA3 GLY 10 2HA GLY 10 -10.450 -4.794 -2.113 59 H MET 11 H MET 11 -9.402 -6.326 -4.779 60 HA MET 11 HA MET 11 -9.716 -6.402 -6.943 61 HB2 MET 11 1HB MET 11 -12.331 -5.351 -5.949 62 HB3 MET 11 2HB MET 11 -12.111 -5.492 -7.686 63 HG2 MET 11 1HG MET 11 -11.362 -7.852 -5.978 64 HG3 MET 11 2HG MET 11 -13.053 -7.471 -6.216 65 HE1 MET 11 3HE MET 11 -10.307 -8.543 -9.840 66 HE2 MET 11 1HE MET 11 -10.357 -6.914 -9.162 67 HE3 MET 11 2HE MET 11 -9.697 -8.262 -8.200 68 H ASP 12 H ASP 12 -9.381 -3.144 -5.880 69 HA ASP 12 HA ASP 12 -8.699 -2.409 -8.685 70 HB2 ASP 12 1HB ASP 12 -10.921 -1.462 -7.665 71 HB3 ASP 12 2HB ASP 12 -9.848 -0.405 -6.728 72 H LYS 13 H LYS 13 -6.965 -0.841 -8.813 73 HA LYS 13 HA LYS 13 -5.518 -0.121 -6.378 74 HB2 LYS 13 1HB LYS 13 -4.212 -1.601 -8.660 75 HB3 LYS 13 2HB LYS 13 -3.345 -0.558 -7.528 76 HG2 LYS 13 1HG LYS 13 -4.622 -2.053 -5.705 77 HG3 LYS 13 2HG LYS 13 -4.561 -3.232 -7.033 78 HD2 LYS 13 1HD LYS 13 -2.078 -2.702 -7.218 79 HD3 LYS 13 2HD LYS 13 -2.239 -1.693 -5.790 80 HE2 LYS 13 1HE LYS 13 -2.992 -3.674 -4.478 81 HE3 LYS 13 2HE LYS 13 -2.807 -4.683 -5.931 82 HZ1 LYS 13 3HZ LYS 13 -0.657 -3.219 -4.540 83 HZ2 LYS 13 1HZ LYS 13 -0.467 -4.111 -5.940 84 HZ3 LYS 13 2HZ LYS 13 -0.849 -4.868 -4.546 85 H SER 14 H SER 14 -7.308 1.483 -7.807 86 HA SER 14 HA SER 14 -5.372 3.511 -8.849 87 HB2 SER 14 1HB SER 14 -7.200 4.357 -10.246 88 HB3 SER 14 2HB SER 14 -6.759 2.695 -10.645 89 HG SER 14 HG SER 14 -8.589 1.952 -9.530 90 H LEU 15 H LEU 15 -7.761 2.912 -6.333 91 HA LEU 15 HA LEU 15 -8.198 5.829 -6.023 92 HB2 LEU 15 1HB LEU 15 -9.926 3.801 -4.643 93 HB3 LEU 15 2HB LEU 15 -10.263 5.425 -5.174 94 HG LEU 15 HG LEU 15 -9.815 4.063 -7.597 95 HD11 LEU 15 1HD1 LEU 15 -11.327 2.223 -5.709 96 HD12 LEU 15 2HD1 LEU 15 -9.723 1.909 -6.390 97 HD13 LEU 15 3HD1 LEU 15 -11.136 2.011 -7.462 98 HD21 LEU 15 3HD2 LEU 15 -11.620 5.671 -7.160 99 HD22 LEU 15 1HD2 LEU 15 -12.468 4.440 -6.199 100 HD23 LEU 15 2HD2 LEU 15 -12.193 4.181 -7.935 101 H PHE 16 H PHE 16 -6.071 6.062 -4.967 102 HA PHE 16 HA PHE 16 -6.049 5.151 -2.108 103 HB2 PHE 16 1HB PHE 16 -3.765 5.105 -4.121 104 HB3 PHE 16 2HB PHE 16 -3.536 5.025 -2.387 105 HD1 PHE 16 2HD PHE 16 -5.439 3.280 -5.132 106 HD2 PHE 16 1HD PHE 16 -3.544 2.989 -1.298 107 HE1 PHE 16 2HE PHE 16 -6.233 0.952 -4.898 108 HE2 PHE 16 1HE PHE 16 -4.032 0.568 -1.232 109 HZ PHE 16 HZ PHE 16 -5.424 -0.469 -3.062 110 H ALA 17 H ALA 17 -4.538 7.328 -4.479 111 HA ALA 17 HA ALA 17 -3.233 8.927 -2.533 112 HB1 ALA 17 1HB ALA 17 -2.341 10.046 -4.440 113 HB2 ALA 17 2HB ALA 17 -2.418 8.325 -4.821 114 HB3 ALA 17 3HB ALA 17 -3.635 9.442 -5.488 115 H GLY 18 H GLY 18 -6.106 9.000 -2.137 116 HA2 GLY 18 1HA GLY 18 -6.713 11.900 -2.510 117 HA3 GLY 18 2HA GLY 18 -7.932 10.644 -2.444 118 H ASN 19 H ASN 19 -6.717 9.104 -0.122 119 HA ASN 19 HA ASN 19 -7.722 11.011 1.899 120 HB2 ASN 19 1HB ASN 19 -8.642 8.764 1.914 121 HB3 ASN 19 2HB ASN 19 -7.022 8.092 2.223 122 HD21 ASN 19 1HD2 ASN 19 -7.895 7.226 4.332 123 HD22 ASN 19 2HD2 ASN 19 -8.071 8.313 5.676 124 H THR 20 H THR 20 -6.176 12.452 2.505 125 HA THR 20 HA THR 20 -3.398 11.955 2.884 126 HB THR 20 HB THR 20 -3.638 14.196 4.162 127 HG1 THR 20 1HG THR 20 -6.163 14.274 2.920 128 HG21 THR 20 3HG2 THR 20 -4.139 15.472 2.056 129 HG22 THR 20 1HG2 THR 20 -4.550 13.933 1.257 130 HG23 THR 20 2HG2 THR 20 -2.910 14.227 1.871 131 H VAL 21 H VAL 21 -5.611 10.367 4.642 132 HA VAL 21 HA VAL 21 -4.306 10.811 7.277 133 HB VAL 21 HB VAL 21 -7.273 10.293 6.958 134 HG11 VAL 21 1HG1 VAL 21 -7.442 11.297 9.180 135 HG12 VAL 21 2HG1 VAL 21 -6.265 9.993 9.250 136 HG13 VAL 21 3HG1 VAL 21 -5.710 11.674 9.183 137 HG21 VAL 21 3HG2 VAL 21 -6.962 12.399 5.766 138 HG22 VAL 21 1HG2 VAL 21 -7.625 12.751 7.368 139 HG23 VAL 21 2HG2 VAL 21 -5.895 13.002 7.046 140 H ILE 22 H ILE 22 -4.643 8.559 4.825 141 HA ILE 22 HA ILE 22 -5.260 6.235 6.401 142 HB ILE 22 HB ILE 22 -5.797 6.332 4.046 143 HG12 ILE 22 1HG1 ILE 22 -3.569 4.282 4.445 144 HG13 ILE 22 2HG1 ILE 22 -5.094 4.224 5.340 145 HG21 ILE 22 1HG2 ILE 22 -3.737 7.668 3.239 146 HG22 ILE 22 2HG2 ILE 22 -2.869 6.150 3.231 147 HG23 ILE 22 3HG2 ILE 22 -4.307 6.374 2.214 148 HD11 ILE 22 3HD1 ILE 22 -4.818 4.125 2.310 149 HD12 ILE 22 1HD1 ILE 22 -5.361 2.830 3.416 150 HD13 ILE 22 2HD1 ILE 22 -6.346 4.289 3.228 151 H ARG 23 H ARG 23 -3.887 5.695 7.952 152 HA ARG 23 HA ARG 23 -1.012 6.388 7.688 153 HB2 ARG 23 1HB ARG 23 -2.710 5.406 10.013 154 HB3 ARG 23 2HB ARG 23 -0.964 5.612 10.087 155 HG2 ARG 23 1HG ARG 23 -1.427 8.028 9.235 156 HG3 ARG 23 2HG ARG 23 -3.107 7.731 9.702 157 HD2 ARG 23 1HD ARG 23 -0.649 7.615 11.487 158 HD3 ARG 23 2HD ARG 23 -1.854 8.912 11.453 159 HE ARG 23 HE ARG 23 -3.291 6.569 11.965 160 HH11 ARG 23 1HH1 ARG 23 -0.862 8.600 13.559 161 HH12 ARG 23 2HH1 ARG 23 -1.363 8.190 15.164 162 HH21 ARG 23 1HH2 ARG 23 -3.689 5.709 14.034 163 HH22 ARG 23 2HH2 ARG 23 -2.916 6.389 15.433 164 H GLU 24 H GLU 24 -3.060 3.824 6.936 165 HA GLU 24 HA GLU 24 -0.809 1.866 6.955 166 HB2 GLU 24 1HB GLU 24 -3.459 1.579 8.461 167 HB3 GLU 24 2HB GLU 24 -2.493 0.212 7.963 168 HG2 GLU 24 1HG GLU 24 -1.666 0.418 10.051 169 HG3 GLU 24 2HG GLU 24 -0.508 1.413 9.164 170 H ILE 25 H ILE 25 -0.967 0.315 5.373 171 HA ILE 25 HA ILE 25 -3.476 -0.015 3.887 172 HB ILE 25 HB ILE 25 -0.833 0.548 2.490 173 HG12 ILE 25 1HG1 ILE 25 -3.406 2.180 2.514 174 HG13 ILE 25 2HG1 ILE 25 -1.960 2.614 3.357 175 HG21 ILE 25 1HG2 ILE 25 -3.598 0.109 1.285 176 HG22 ILE 25 2HG2 ILE 25 -2.039 0.182 0.426 177 HG23 ILE 25 3HG2 ILE 25 -2.430 -1.196 1.457 178 HD11 ILE 25 3HD1 ILE 25 -0.747 2.696 1.136 179 HD12 ILE 25 1HD1 ILE 25 -2.307 2.435 0.355 180 HD13 ILE 25 2HD1 ILE 25 -2.058 3.888 1.319 181 H THR 26 H THR 26 -3.756 -2.104 4.711 182 HA THR 26 HA THR 26 -1.621 -4.032 4.457 183 HB THR 26 HB THR 26 -4.274 -5.205 4.347 184 HG1 THR 26 1HG THR 26 -5.316 -4.219 5.834 185 HG21 THR 26 3HG2 THR 26 -3.476 -6.447 6.209 186 HG22 THR 26 1HG2 THR 26 -2.301 -5.196 6.652 187 HG23 THR 26 2HG2 THR 26 -2.066 -6.156 5.178 188 H VAL 27 H VAL 27 -1.129 -5.180 2.568 189 HA VAL 27 HA VAL 27 -2.835 -4.813 0.169 190 HB VAL 27 HB VAL 27 0.179 -5.072 0.132 191 HG11 VAL 27 1HG1 VAL 27 -1.112 -5.559 -1.962 192 HG12 VAL 27 2HG1 VAL 27 -1.779 -3.913 -1.901 193 HG13 VAL 27 3HG1 VAL 27 -0.035 -4.173 -2.137 194 HG21 VAL 27 3HG2 VAL 27 -1.302 -2.442 0.102 195 HG22 VAL 27 1HG2 VAL 27 -0.136 -2.999 1.328 196 HG23 VAL 27 2HG2 VAL 27 0.389 -2.702 -0.330 197 H GLN 28 H GLN 28 -3.285 -6.682 -0.895 198 HA GLN 28 HA GLN 28 -2.355 -9.162 0.370 199 HB2 GLN 28 1HB GLN 28 -4.517 -8.686 -1.748 200 HB3 GLN 28 2HB GLN 28 -4.327 -10.102 -0.731 201 HG2 GLN 28 1HG GLN 28 -4.568 -8.353 1.262 202 HG3 GLN 28 2HG GLN 28 -5.320 -7.345 0.008 203 HE21 GLN 28 1HE2 GLN 28 -6.363 -8.836 2.492 204 HE22 GLN 28 2HE2 GLN 28 -7.771 -9.668 1.848 205 HA PRO 29 HA PRO 29 0.099 -10.491 -3.082 206 HB2 PRO 29 1HB PRO 29 -0.513 -13.183 -3.261 207 HB3 PRO 29 2HB PRO 29 0.502 -12.489 -1.975 208 HG2 PRO 29 1HG PRO 29 -2.456 -13.137 -1.887 209 HG3 PRO 29 2HG PRO 29 -1.197 -13.540 -0.665 210 HD2 PRO 29 1HD PRO 29 -2.794 -11.428 -0.341 211 HD3 PRO 29 2HD PRO 29 -1.076 -11.333 0.093 212 H ASN 30 H ASN 30 -0.105 -10.799 -5.319 213 HA ASN 30 HA ASN 30 -1.004 -10.851 -7.369 214 HB2 ASN 30 1HB ASN 30 -2.931 -12.886 -6.220 215 HB3 ASN 30 2HB ASN 30 -2.380 -12.717 -7.889 216 HD21 ASN 30 1HD2 ASN 30 -1.760 -14.308 -4.920 217 HD22 ASN 30 2HD2 ASN 30 -0.229 -15.007 -5.375 218 H ILE 31 H ILE 31 -2.077 -8.673 -5.933 219 HA ILE 31 HA ILE 31 -4.989 -8.653 -6.576 220 HB ILE 31 HB ILE 31 -4.113 -8.812 -4.159 221 HG12 ILE 31 1HG1 ILE 31 -5.851 -7.158 -3.274 222 HG13 ILE 31 2HG1 ILE 31 -6.251 -6.817 -4.954 223 HG21 ILE 31 1HG2 ILE 31 -3.463 -6.833 -3.050 224 HG22 ILE 31 2HG2 ILE 31 -2.465 -6.922 -4.516 225 HG23 ILE 31 3HG2 ILE 31 -3.874 -5.824 -4.441 226 HD11 ILE 31 3HD1 ILE 31 -7.766 -8.462 -4.020 227 HD12 ILE 31 1HD1 ILE 31 -6.768 -9.236 -5.278 228 HD13 ILE 31 2HD1 ILE 31 -6.408 -9.510 -3.561 229 H GLY 32 H GLY 32 -2.250 -7.288 -7.820 230 HA2 GLY 32 1HA GLY 32 -2.979 -5.831 -9.745 231 HA3 GLY 32 2HA GLY 32 -3.579 -4.702 -8.540 232 H LEU 33 H LEU 33 -1.798 -3.705 -10.328 233 HA LEU 33 HA LEU 33 0.947 -4.101 -9.582 234 HB2 LEU 33 1HB LEU 33 -0.079 -3.481 -11.891 235 HB3 LEU 33 2HB LEU 33 -0.159 -1.827 -11.269 236 HG LEU 33 HG LEU 33 2.407 -2.196 -10.736 237 HD11 LEU 33 1HD1 LEU 33 2.251 -4.675 -11.292 238 HD12 LEU 33 2HD1 LEU 33 3.509 -3.781 -12.157 239 HD13 LEU 33 3HD1 LEU 33 2.000 -4.229 -12.974 240 HD21 LEU 33 3HD2 LEU 33 1.630 -0.634 -12.447 241 HD22 LEU 33 1HD2 LEU 33 1.405 -1.948 -13.602 242 HD23 LEU 33 2HD2 LEU 33 3.036 -1.515 -13.029 243 H LEU 34 H LEU 34 2.253 -2.949 -8.342 244 HA LEU 34 HA LEU 34 1.427 -0.513 -6.879 245 HB2 LEU 34 1HB LEU 34 3.698 -2.509 -6.813 246 HB3 LEU 34 2HB LEU 34 3.919 -0.940 -6.056 247 HG LEU 34 HG LEU 34 1.626 -2.770 -5.354 248 HD11 LEU 34 1HD1 LEU 34 2.964 -3.236 -3.215 249 HD12 LEU 34 2HD1 LEU 34 4.382 -2.645 -4.111 250 HD13 LEU 34 3HD1 LEU 34 3.479 -4.066 -4.678 251 HD21 LEU 34 3HD2 LEU 34 1.573 -1.406 -3.258 252 HD22 LEU 34 1HD2 LEU 34 1.364 -0.374 -4.689 253 HD23 LEU 34 2HD2 LEU 34 2.923 -0.435 -3.872 254 H TYR 35 H TYR 35 1.199 0.687 -8.962 255 HA TYR 35 HA TYR 35 3.510 0.854 -10.694 256 HB2 TYR 35 1HB TYR 35 2.357 2.668 -11.833 257 HB3 TYR 35 2HB TYR 35 1.336 1.270 -11.636 258 HD1 TYR 35 1HD TYR 35 -0.646 1.278 -10.283 259 HD2 TYR 35 2HD TYR 35 1.762 4.800 -10.777 260 HE1 TYR 35 1HE TYR 35 -2.523 2.687 -9.446 261 HE2 TYR 35 2HE TYR 35 -0.099 6.209 -9.932 262 HH TYR 35 HH TYR 35 -2.860 4.890 -8.329 263 H ASP 36 H ASP 36 4.539 3.041 -11.145 264 HA ASP 36 HA ASP 36 5.739 4.111 -8.781 265 HB2 ASP 36 1HB ASP 36 6.995 5.526 -10.352 266 HB3 ASP 36 2HB ASP 36 7.104 3.813 -10.699 267 H GLY 37 H GLY 37 4.814 5.526 -7.510 268 HA2 GLY 37 1HA GLY 37 4.007 7.695 -7.051 269 HA3 GLY 37 2HA GLY 37 3.253 7.763 -8.628 270 H MET 38 H MET 38 2.545 4.814 -7.071 271 HA MET 38 HA MET 38 -0.150 5.058 -7.216 272 HB2 MET 38 1HB MET 38 1.692 3.176 -6.008 273 HB3 MET 38 2HB MET 38 0.314 3.352 -4.942 274 HG2 MET 38 1HG MET 38 -1.077 3.069 -7.166 275 HG3 MET 38 2HG MET 38 0.425 2.341 -7.750 276 HE1 MET 38 3HE MET 38 -1.826 2.337 -4.504 277 HE2 MET 38 1HE MET 38 -2.849 1.964 -5.909 278 HE3 MET 38 2HE MET 38 -2.569 0.726 -4.663 279 H PHE 39 H PHE 39 1.681 6.447 -4.613 280 HA PHE 39 HA PHE 39 -0.785 6.895 -3.001 281 HB2 PHE 39 1HB PHE 39 1.944 6.467 -1.803 282 HB3 PHE 39 2HB PHE 39 0.389 6.394 -1.039 283 HD1 PHE 39 1HD PHE 39 -1.212 4.477 -1.694 284 HD2 PHE 39 2HD PHE 39 3.053 4.336 -2.528 285 HE1 PHE 39 1HE PHE 39 -1.283 2.005 -1.872 286 HE2 PHE 39 2HE PHE 39 2.947 1.955 -2.739 287 HZ PHE 39 HZ PHE 39 0.793 0.736 -2.380 288 H SER 40 H SER 40 0.744 8.581 -5.033 289 HA SER 40 HA SER 40 2.223 10.604 -3.689 290 HB2 SER 40 1HB SER 40 2.339 10.030 -6.125 291 HB3 SER 40 2HB SER 40 0.776 10.830 -6.361 292 HG SER 40 HG SER 40 1.692 12.745 -5.945 293 H GLY 41 H GLY 41 1.218 11.469 -1.932 294 HA2 GLY 41 1HA GLY 41 -0.040 13.604 -1.491 295 HA3 GLY 41 2HA GLY 41 -1.427 12.799 -2.240 296 H CYS 42 H CYS 42 0.028 10.241 -0.681 297 HA CYS 42 HA CYS 42 -1.874 10.441 1.553 298 HB2 CYS 42 1HB CYS 42 0.063 8.248 0.741 299 HB3 CYS 42 2HB CYS 42 -1.212 8.148 1.972 300 HG CYS 42 HG CYS 42 -3.136 8.963 0.206 301 H THR 43 H THR 43 -0.572 12.469 2.409 302 HA THR 43 HA THR 43 2.097 12.028 3.104 303 HB THR 43 HB THR 43 2.111 14.133 4.176 304 HG1 THR 43 1HG THR 43 0.563 15.274 4.748 305 HG21 THR 43 3HG2 THR 43 0.195 14.323 1.810 306 HG22 THR 43 1HG2 THR 43 1.951 14.081 1.684 307 HG23 THR 43 2HG2 THR 43 1.309 15.568 2.391 308 H ALA 44 H ALA 44 -0.718 11.099 5.041 309 HA ALA 44 HA ALA 44 0.925 10.822 7.465 310 HB1 ALA 44 1HB ALA 44 -1.475 11.511 7.497 311 HB2 ALA 44 2HB ALA 44 -1.913 9.884 6.933 312 HB3 ALA 44 3HB ALA 44 -1.093 10.102 8.500 313 H LEU 45 H LEU 45 0.821 9.036 4.646 314 HA LEU 45 HA LEU 45 0.375 6.386 5.749 315 HB2 LEU 45 1HB LEU 45 -0.339 7.039 3.508 316 HB3 LEU 45 2HB LEU 45 1.345 7.378 3.061 317 HG LEU 45 HG LEU 45 1.900 4.974 3.363 318 HD11 LEU 45 1HD1 LEU 45 -1.128 4.683 3.730 319 HD12 LEU 45 2HD1 LEU 45 0.116 4.342 4.964 320 HD13 LEU 45 3HD1 LEU 45 0.032 3.361 3.510 321 HD21 LEU 45 3HD2 LEU 45 -0.364 5.656 1.433 322 HD22 LEU 45 1HD2 LEU 45 0.805 4.333 1.241 323 HD23 LEU 45 2HD2 LEU 45 1.357 6.000 1.188 324 H GLU 46 H GLU 46 1.927 5.289 6.856 325 HA GLU 46 HA GLU 46 4.726 5.462 5.926 326 HB2 GLU 46 1HB GLU 46 3.980 5.610 8.840 327 HB3 GLU 46 2HB GLU 46 5.582 5.750 8.105 328 HG2 GLU 46 1HG GLU 46 4.819 7.854 6.934 329 HG3 GLU 46 2HG GLU 46 3.289 7.768 7.833 330 H LYS 47 H LYS 47 2.163 3.356 6.369 331 HA LYS 47 HA LYS 47 4.105 1.138 6.683 332 HB2 LYS 47 1HB LYS 47 1.389 1.355 8.027 333 HB3 LYS 47 2HB LYS 47 2.142 -0.195 7.651 334 HG2 LYS 47 1HG LYS 47 4.239 0.769 8.920 335 HG3 LYS 47 2HG LYS 47 3.074 1.914 9.614 336 HD2 LYS 47 1HD LYS 47 1.702 -0.022 10.422 337 HD3 LYS 47 2HD LYS 47 2.829 -1.132 9.638 338 HE2 LYS 47 1HE LYS 47 3.398 -1.165 11.925 339 HE3 LYS 47 2HE LYS 47 4.677 -0.275 11.094 340 HZ1 LYS 47 3HZ LYS 47 3.667 1.784 11.897 341 HZ2 LYS 47 1HZ LYS 47 3.966 0.776 13.155 342 HZ3 LYS 47 2HZ LYS 47 2.435 0.958 12.586 343 H LEU 48 H LEU 48 3.609 -0.691 5.584 344 HA LEU 48 HA LEU 48 1.491 -0.893 3.600 345 HB2 LEU 48 1HB LEU 48 3.556 0.238 2.480 346 HB3 LEU 48 2HB LEU 48 4.438 -1.210 2.834 347 HG LEU 48 HG LEU 48 2.475 -2.442 1.532 348 HD11 LEU 48 1HD1 LEU 48 2.307 0.397 0.435 349 HD12 LEU 48 2HD1 LEU 48 0.999 -0.489 1.253 350 HD13 LEU 48 3HD1 LEU 48 1.607 -1.002 -0.344 351 HD21 LEU 48 3HD2 LEU 48 4.835 -2.286 0.738 352 HD22 LEU 48 1HD2 LEU 48 4.450 -0.727 -0.001 353 HD23 LEU 48 2HD2 LEU 48 3.675 -2.161 -0.605 354 H ILE 49 H ILE 49 0.697 -2.784 4.632 355 HA ILE 49 HA ILE 49 2.730 -4.785 5.580 356 HB ILE 49 HB ILE 49 -0.123 -4.295 6.488 357 HG12 ILE 49 1HG1 ILE 49 2.411 -4.255 8.187 358 HG13 ILE 49 2HG1 ILE 49 1.846 -2.810 7.374 359 HG21 ILE 49 1HG2 ILE 49 0.289 -6.725 6.448 360 HG22 ILE 49 2HG2 ILE 49 1.859 -6.501 7.240 361 HG23 ILE 49 3HG2 ILE 49 0.344 -6.181 8.117 362 HD11 ILE 49 3HD1 ILE 49 0.500 -4.413 9.561 363 HD12 ILE 49 1HD1 ILE 49 0.979 -2.713 9.583 364 HD13 ILE 49 2HD1 ILE 49 -0.398 -3.230 8.590 365 H LEU 50 H LEU 50 2.970 -6.578 4.424 366 HA LEU 50 HA LEU 50 1.193 -7.013 2.163 367 HB2 LEU 50 1HB LEU 50 3.975 -7.865 3.000 368 HB3 LEU 50 2HB LEU 50 3.232 -8.484 1.542 369 HG LEU 50 HG LEU 50 3.199 -6.245 0.604 370 HD11 LEU 50 1HD1 LEU 50 4.050 -4.322 1.258 371 HD12 LEU 50 2HD1 LEU 50 4.388 -4.974 2.912 372 HD13 LEU 50 3HD1 LEU 50 2.730 -4.792 2.255 373 HD21 LEU 50 3HD2 LEU 50 5.952 -6.855 1.319 374 HD22 LEU 50 1HD2 LEU 50 5.338 -5.901 -0.040 375 HD23 LEU 50 2HD2 LEU 50 4.986 -7.628 0.069 376 H THR 51 H THR 51 -0.488 -8.446 2.582 377 HA THR 51 HA THR 51 -0.282 -10.384 4.683 378 HB THR 51 HB THR 51 -2.566 -10.784 4.375 379 HG1 THR 51 1HG THR 51 -3.076 -11.053 2.409 380 HG21 THR 51 3HG2 THR 51 -2.271 -7.866 3.581 381 HG22 THR 51 1HG2 THR 51 -2.012 -8.495 5.224 382 HG23 THR 51 2HG2 THR 51 -3.603 -8.637 4.466 383 H GLY 52 H GLY 52 1.576 -10.901 2.300 384 HA2 GLY 52 1HA GLY 52 0.501 -13.552 1.429 385 HA3 GLY 52 2HA GLY 52 1.258 -12.418 0.321 386 H GLU 53 H GLU 53 2.080 -14.989 0.665 387 HA GLU 53 HA GLU 53 4.272 -15.150 2.606 388 HB2 GLU 53 1HB GLU 53 2.730 -17.092 0.863 389 HB3 GLU 53 2HB GLU 53 4.201 -17.606 1.699 390 HG2 GLU 53 1HG GLU 53 3.324 -17.162 3.849 391 HG3 GLU 53 2HG GLU 53 1.886 -16.350 3.187 392 H ASP 54 H ASP 54 4.190 -14.129 -0.638 393 HA ASP 54 HA ASP 54 6.958 -15.081 -1.135 394 HB2 ASP 54 1HB ASP 54 4.767 -16.392 -2.258 395 HB3 ASP 54 2HB ASP 54 5.174 -15.237 -3.510 396 HA PRO 55 HA PRO 55 7.239 -10.944 -2.798 397 HB2 PRO 55 1HB PRO 55 9.496 -11.223 -4.388 398 HB3 PRO 55 2HB PRO 55 9.516 -11.028 -2.611 399 HG2 PRO 55 1HG PRO 55 9.778 -13.527 -4.265 400 HG3 PRO 55 2HG PRO 55 10.644 -13.096 -2.777 401 HD2 PRO 55 1HD PRO 55 8.548 -14.808 -2.783 402 HD3 PRO 55 2HD PRO 55 8.898 -13.723 -1.405 403 H SER 56 H SER 56 7.416 -13.704 -5.127 404 HA SER 56 HA SER 56 7.188 -12.254 -7.446 405 HB2 SER 56 1HB SER 56 5.757 -14.867 -7.166 406 HB3 SER 56 2HB SER 56 6.794 -14.317 -8.483 407 HG SER 56 HG SER 56 8.613 -14.740 -7.127 408 H ALA 57 H ALA 57 4.701 -12.864 -5.124 409 HA ALA 57 HA ALA 57 2.405 -12.381 -6.850 410 HB1 ALA 57 1HB ALA 57 2.681 -12.565 -3.819 411 HB2 ALA 57 2HB ALA 57 1.167 -12.592 -4.743 412 HB3 ALA 57 3HB ALA 57 2.321 -13.918 -4.911 413 H TYR 58 H TYR 58 4.733 -10.199 -5.695 414 HA TYR 58 HA TYR 58 2.747 -7.990 -5.548 415 HB2 TYR 58 1HB TYR 58 5.206 -8.445 -3.810 416 HB3 TYR 58 2HB TYR 58 4.383 -6.896 -3.986 417 HD1 TYR 58 2HD TYR 58 3.680 -10.442 -3.019 418 HD2 TYR 58 1HD TYR 58 2.820 -6.269 -2.396 419 HE1 TYR 58 2HE TYR 58 2.134 -11.039 -1.180 420 HE2 TYR 58 1HE TYR 58 1.185 -6.859 -0.640 421 HH TYR 58 HH TYR 58 0.145 -8.559 0.528 422 H SER 59 H SER 59 3.112 -6.483 -7.030 423 HA SER 59 HA SER 59 5.471 -6.493 -8.761 424 HB2 SER 59 1HB SER 59 3.390 -4.362 -8.876 425 HB3 SER 59 2HB SER 59 4.086 -5.322 -10.181 426 HG SER 59 HG SER 59 2.670 -6.945 -9.736 427 H ALA 60 H ALA 60 6.463 -4.225 -9.236 428 HA ALA 60 HA ALA 60 5.728 -1.974 -7.629 429 HB1 ALA 60 1HB ALA 60 8.463 -3.157 -7.022 430 HB2 ALA 60 2HB ALA 60 7.834 -1.570 -6.555 431 HB3 ALA 60 3HB ALA 60 7.097 -3.032 -5.893 432 H GLY 61 H GLY 61 6.478 -0.104 -8.682 433 HA2 GLY 61 1HA GLY 61 8.372 -0.328 -10.951 434 HA3 GLY 61 2HA GLY 61 7.246 0.997 -10.604 435 H ASP 62 H ASP 62 9.454 2.061 -10.925 436 HA ASP 62 HA ASP 62 11.514 2.036 -8.918 437 HB2 ASP 62 1HB ASP 62 10.568 4.213 -10.850 438 HB3 ASP 62 2HB ASP 62 11.932 4.408 -9.769 439 H GLY 63 H GLY 63 8.649 4.084 -9.433 440 HA2 GLY 63 1HA GLY 63 8.981 5.519 -6.915 441 HA3 GLY 63 2HA GLY 63 7.716 5.742 -8.126 442 H LEU 64 H LEU 64 8.551 2.612 -6.590 443 HA LEU 64 HA LEU 64 6.024 1.682 -5.992 444 HB2 LEU 64 1HB LEU 64 8.258 0.540 -5.640 445 HB3 LEU 64 2HB LEU 64 8.347 1.299 -4.069 446 HG LEU 64 HG LEU 64 6.214 -0.627 -5.079 447 HD11 LEU 64 1HD1 LEU 64 8.534 -1.518 -4.372 448 HD12 LEU 64 2HD1 LEU 64 7.102 -2.216 -3.584 449 HD13 LEU 64 3HD1 LEU 64 8.101 -1.037 -2.727 450 HD21 LEU 64 3HD2 LEU 64 6.365 0.714 -2.367 451 HD22 LEU 64 1HD2 LEU 64 5.408 -0.742 -2.693 452 HD23 LEU 64 2HD2 LEU 64 5.007 0.745 -3.526 453 H ARG 65 H ARG 65 8.213 3.437 -3.789 454 HA ARG 65 HA ARG 65 5.973 4.334 -2.091 455 HB2 ARG 65 1HB ARG 65 7.671 4.579 -0.321 456 HB3 ARG 65 2HB ARG 65 7.492 3.016 -1.035 457 HG2 ARG 65 1HG ARG 65 9.781 3.059 -1.013 458 HG3 ARG 65 2HG ARG 65 9.677 3.997 -2.489 459 HD2 ARG 65 1HD ARG 65 9.798 5.192 0.319 460 HD3 ARG 65 2HD ARG 65 11.232 4.734 -0.593 461 HE ARG 65 HE ARG 65 9.314 6.901 -1.272 462 HH11 ARG 65 1HH1 ARG 65 12.491 5.400 -1.892 463 HH12 ARG 65 2HH1 ARG 65 13.047 6.660 -2.924 464 HH21 ARG 65 1HH2 ARG 65 10.189 8.712 -2.314 465 HH22 ARG 65 2HH2 ARG 65 11.725 8.622 -3.145 466 H ASP 66 H ASP 66 6.613 5.773 -4.670 467 HA ASP 66 HA ASP 66 7.928 8.258 -3.926 468 HB2 ASP 66 1HB ASP 66 7.739 7.395 -6.278 469 HB3 ASP 66 2HB ASP 66 6.010 7.753 -6.228 470 H GLY 67 H GLY 67 7.083 9.986 -2.899 471 HA2 GLY 67 1HA GLY 67 5.558 11.692 -2.599 472 HA3 GLY 67 2HA GLY 67 4.269 10.702 -3.252 473 H ALA 68 H ALA 68 5.658 8.759 -0.992 474 HA ALA 68 HA ALA 68 4.718 10.062 1.427 475 HB1 ALA 68 1HB ALA 68 3.582 8.024 2.261 476 HB2 ALA 68 2HB ALA 68 2.748 8.744 0.883 477 HB3 ALA 68 3HB ALA 68 3.715 7.279 0.658 478 H ASP 69 H ASP 69 5.515 8.071 3.224 479 HA ASP 69 HA ASP 69 8.062 6.932 2.287 480 HB2 ASP 69 1HB ASP 69 8.672 9.174 3.055 481 HB3 ASP 69 2HB ASP 69 7.879 8.887 4.608 482 H PHE 70 H PHE 70 7.120 4.877 2.590 483 HA PHE 70 HA PHE 70 6.489 4.195 5.414 484 HB2 PHE 70 1HB PHE 70 4.818 2.577 4.569 485 HB3 PHE 70 2HB PHE 70 4.431 4.234 4.093 486 HD1 PHE 70 2HD PHE 70 6.164 1.117 2.750 487 HD2 PHE 70 1HD PHE 70 3.826 4.654 1.905 488 HE1 PHE 70 2HE PHE 70 6.179 0.552 0.393 489 HE2 PHE 70 1HE PHE 70 3.656 3.973 -0.425 490 HZ PHE 70 HZ PHE 70 4.844 1.941 -1.242 491 H LEU 71 H LEU 71 6.564 2.041 5.975 492 HA LEU 71 HA LEU 71 8.926 0.529 5.049 493 HB2 LEU 71 1HB LEU 71 8.585 1.188 7.391 494 HB3 LEU 71 2HB LEU 71 7.063 0.322 7.448 495 HG LEU 71 HG LEU 71 8.591 -1.784 6.952 496 HD11 LEU 71 1HD1 LEU 71 10.657 0.149 8.110 497 HD12 LEU 71 2HD1 LEU 71 10.580 -0.269 6.405 498 HD13 LEU 71 3HD1 LEU 71 10.924 -1.522 7.599 499 HD21 LEU 71 3HD2 LEU 71 7.371 -1.151 9.083 500 HD22 LEU 71 1HD2 LEU 71 8.924 -0.466 9.647 501 HD23 LEU 71 2HD2 LEU 71 8.771 -2.193 9.238 502 H ILE 72 H ILE 72 8.702 -1.792 4.907 503 HA ILE 72 HA ILE 72 6.089 -2.749 3.782 504 HB ILE 72 HB ILE 72 8.784 -3.647 2.828 505 HG12 ILE 72 1HG1 ILE 72 6.887 -1.801 1.320 506 HG13 ILE 72 2HG1 ILE 72 8.228 -1.178 2.246 507 HG21 ILE 72 1HG2 ILE 72 6.087 -4.071 1.396 508 HG22 ILE 72 2HG2 ILE 72 7.607 -4.908 1.162 509 HG23 ILE 72 3HG2 ILE 72 6.654 -5.196 2.603 510 HD11 ILE 72 3HD1 ILE 72 8.892 -1.460 -0.073 511 HD12 ILE 72 1HD1 ILE 72 9.811 -2.570 0.960 512 HD13 ILE 72 2HD1 ILE 72 8.462 -3.171 -0.011 513 H CYS 73 H CYS 73 5.320 -3.753 5.632 514 HA CYS 73 HA CYS 73 7.100 -5.635 7.081 515 HB2 CYS 73 1HB CYS 73 4.169 -4.910 7.392 516 HB3 CYS 73 2HB CYS 73 5.028 -5.983 8.492 517 HG CYS 73 HG CYS 73 6.700 -4.299 9.462 518 H VAL 74 H VAL 74 7.021 -7.843 6.731 519 HA VAL 74 HA VAL 74 4.869 -9.053 5.075 520 HB VAL 74 HB VAL 74 6.919 -10.556 4.260 521 HG11 VAL 74 1HG1 VAL 74 6.225 -7.830 3.152 522 HG12 VAL 74 2HG1 VAL 74 7.196 -9.037 2.270 523 HG13 VAL 74 3HG1 VAL 74 5.520 -9.399 2.684 524 HG21 VAL 74 3HG2 VAL 74 8.366 -7.908 4.467 525 HG22 VAL 74 1HG2 VAL 74 8.613 -9.201 5.619 526 HG23 VAL 74 2HG2 VAL 74 8.986 -9.505 3.932 527 HA PRO 75 HA PRO 75 4.928 -11.931 8.423 528 HB2 PRO 75 1HB PRO 75 4.468 -14.398 7.282 529 HB3 PRO 75 2HB PRO 75 3.220 -13.137 7.443 530 HG2 PRO 75 1HG PRO 75 4.859 -13.863 5.025 531 HG3 PRO 75 2HG PRO 75 3.125 -13.444 5.087 532 HD2 PRO 75 1HD PRO 75 5.084 -11.673 4.339 533 HD3 PRO 75 2HD PRO 75 3.600 -11.143 5.138 534 H GLU 76 H GLU 76 6.339 -13.477 9.490 535 HA GLU 76 HA GLU 76 9.032 -13.307 8.836 536 HB2 GLU 76 1HB GLU 76 9.464 -14.932 10.547 537 HB3 GLU 76 2HB GLU 76 8.176 -13.831 11.055 538 HG2 GLU 76 1HG GLU 76 6.481 -15.519 10.529 539 HG3 GLU 76 2HG GLU 76 7.719 -16.656 9.980 540 H GLU 77 H GLU 77 6.758 -15.851 7.893 541 HA GLU 77 HA GLU 77 8.475 -17.757 6.782 542 HB2 GLU 77 1HB GLU 77 5.630 -16.893 6.499 543 HB3 GLU 77 2HB GLU 77 6.255 -17.709 5.093 544 HG2 GLU 77 1HG GLU 77 6.280 -18.802 7.926 545 HG3 GLU 77 2HG GLU 77 5.200 -19.298 6.619 546 H ALA 78 H ALA 78 7.287 -14.710 5.431 547 HA ALA 78 HA ALA 78 8.434 -15.265 2.789 548 HB1 ALA 78 1HB ALA 78 6.185 -14.236 3.097 549 HB2 ALA 78 2HB ALA 78 6.965 -12.820 3.824 550 HB3 ALA 78 3HB ALA 78 7.290 -13.253 2.137 551 H LEU 79 H LEU 79 9.584 -13.955 5.756 552 HA LEU 79 HA LEU 79 10.688 -11.536 5.169 553 HB2 LEU 79 1HB LEU 79 10.689 -12.608 7.439 554 HB3 LEU 79 2HB LEU 79 11.923 -13.728 6.920 555 HG LEU 79 HG LEU 79 13.517 -11.986 6.601 556 HD11 LEU 79 1HD1 LEU 79 11.317 -10.024 7.365 557 HD12 LEU 79 2HD1 LEU 79 12.229 -10.059 5.846 558 HD13 LEU 79 3HD1 LEU 79 13.053 -9.601 7.332 559 HD21 LEU 79 3HD2 LEU 79 13.391 -12.918 8.812 560 HD22 LEU 79 1HD2 LEU 79 12.111 -11.775 9.271 561 HD23 LEU 79 2HD2 LEU 79 13.749 -11.179 8.939 562 H ASP 80 H ASP 80 12.475 -14.566 5.041 563 HA ASP 80 HA ASP 80 14.864 -13.409 3.789 564 HB2 ASP 80 1HB ASP 80 14.616 -15.471 5.390 565 HB3 ASP 80 2HB ASP 80 14.151 -16.369 3.937 566 H ARG 81 H ARG 81 11.955 -14.951 2.814 567 HA ARG 81 HA ARG 81 12.628 -15.844 0.193 568 HB2 ARG 81 1HB ARG 81 10.442 -15.988 1.913 569 HB3 ARG 81 2HB ARG 81 9.831 -14.930 0.640 570 HG2 ARG 81 1HG ARG 81 10.332 -16.599 -1.034 571 HG3 ARG 81 2HG ARG 81 11.153 -17.639 0.165 572 HD2 ARG 81 1HD ARG 81 9.018 -17.804 1.458 573 HD3 ARG 81 2HD ARG 81 8.232 -16.827 0.198 574 HE ARG 81 HE ARG 81 8.320 -18.511 -1.316 575 HH11 ARG 81 1HH1 ARG 81 9.530 -19.719 1.891 576 HH12 ARG 81 2HH1 ARG 81 9.151 -21.335 1.462 577 HH21 ARG 81 1HH2 ARG 81 7.920 -20.738 -1.728 578 HH22 ARG 81 2HH2 ARG 81 8.404 -21.945 -0.609 579 H TYR 82 H TYR 82 11.224 -12.711 1.348 580 HA TYR 82 HA TYR 82 11.292 -11.526 -1.284 581 HB2 TYR 82 1HB TYR 82 11.129 -10.450 1.541 582 HB3 TYR 82 2HB TYR 82 11.469 -9.366 0.192 583 HD1 TYR 82 1HD TYR 82 9.015 -12.160 0.924 584 HD2 TYR 82 2HD TYR 82 9.646 -8.238 -0.764 585 HE1 TYR 82 1HE TYR 82 6.614 -12.008 0.391 586 HE2 TYR 82 2HE TYR 82 7.250 -8.098 -1.315 587 HH TYR 82 HH TYR 82 5.154 -10.882 -1.115 588 H ARG 83 H ARG 83 13.759 -11.656 1.413 589 HA ARG 83 HA ARG 83 15.630 -10.058 -0.090 590 HB2 ARG 83 1HB ARG 83 15.824 -11.867 2.302 591 HB3 ARG 83 2HB ARG 83 17.313 -11.429 1.486 592 HG2 ARG 83 1HG ARG 83 16.631 -8.970 1.664 593 HG3 ARG 83 2HG ARG 83 15.260 -9.507 2.636 594 HD2 ARG 83 1HD ARG 83 16.815 -8.995 4.264 595 HD3 ARG 83 2HD ARG 83 17.036 -10.740 4.099 596 HE ARG 83 HE ARG 83 18.933 -9.553 2.397 597 HH11 ARG 83 1HH1 ARG 83 18.105 -9.739 5.815 598 HH12 ARG 83 2HH1 ARG 83 19.730 -9.568 6.406 599 HH21 ARG 83 1HH2 ARG 83 21.033 -9.367 3.070 600 HH22 ARG 83 2HH2 ARG 83 21.488 -9.410 4.769 601 H ARG 84 H ARG 84 14.721 -13.380 -0.721 602 HA ARG 84 HA ARG 84 17.210 -13.692 -2.297 603 HB2 ARG 84 1HB ARG 84 16.889 -15.892 -2.422 604 HB3 ARG 84 2HB ARG 84 16.365 -15.458 -0.806 605 HG2 ARG 84 1HG ARG 84 13.960 -15.509 -1.967 606 HG3 ARG 84 2HG ARG 84 14.798 -16.506 -3.157 607 HD2 ARG 84 1HD ARG 84 15.663 -17.895 -1.269 608 HD3 ARG 84 2HD ARG 84 14.690 -16.948 -0.132 609 HE ARG 84 HE ARG 84 12.872 -17.847 -2.041 610 HH11 ARG 84 1HH1 ARG 84 14.954 -19.439 0.383 611 HH12 ARG 84 2HH1 ARG 84 14.254 -21.009 0.089 612 HH21 ARG 84 1HH2 ARG 84 11.777 -19.766 -2.084 613 HH22 ARG 84 2HH2 ARG 84 12.515 -21.224 -1.442 614 H ASP 85 H ASP 85 14.468 -11.974 -2.962 615 HA ASP 85 HA ASP 85 13.985 -12.996 -5.661 616 HB2 ASP 85 1HB ASP 85 12.226 -11.783 -4.318 617 HB3 ASP 85 2HB ASP 85 13.224 -10.339 -4.415 618 H TYR 86 H TYR 86 14.649 -12.047 -7.586 619 HA TYR 86 HA TYR 86 17.185 -10.673 -7.538 620 HB2 TYR 86 1HB TYR 86 16.247 -12.528 -9.100 621 HB3 TYR 86 2HB TYR 86 15.528 -11.215 -10.012 622 HD1 TYR 86 2HD TYR 86 18.352 -9.596 -9.016 623 HD2 TYR 86 1HD TYR 86 17.277 -13.060 -11.325 624 HE1 TYR 86 2HE TYR 86 20.395 -9.314 -10.380 625 HE2 TYR 86 1HE TYR 86 19.376 -12.879 -12.623 626 HH TYR 86 HH TYR 86 21.822 -10.374 -11.903 627 H PHE 87 H PHE 87 14.609 -9.383 -6.809 628 HA PHE 87 HA PHE 87 15.135 -6.705 -7.929 629 HB2 PHE 87 1HB PHE 87 13.425 -7.378 -9.429 630 HB3 PHE 87 2HB PHE 87 12.385 -7.936 -8.129 631 HD1 PHE 87 1HD PHE 87 14.264 -4.631 -8.296 632 HD2 PHE 87 2HD PHE 87 10.450 -6.671 -8.400 633 HE1 PHE 87 1HE PHE 87 13.099 -2.468 -8.491 634 HE2 PHE 87 2HE PHE 87 9.307 -4.489 -8.586 635 HZ PHE 87 HZ PHE 87 10.624 -2.388 -8.676 636 H TRP 88 H TRP 88 12.629 -8.173 -5.731 637 HA TRP 88 HA TRP 88 12.375 -5.918 -4.163 638 HB2 TRP 88 1HB TRP 88 12.017 -8.821 -3.356 639 HB3 TRP 88 2HB TRP 88 11.682 -7.504 -2.264 640 HD1 TRP 88 HD TRP 88 10.176 -9.343 -5.128 641 HE1 TRP 88 1HE TRP 88 7.772 -8.578 -5.521 642 HE3 TRP 88 3HE TRP 88 10.216 -5.181 -2.178 643 HZ2 TRP 88 2HZ TRP 88 6.216 -6.220 -4.910 644 HZ3 TRP 88 3HZ TRP 88 8.220 -3.716 -2.071 645 HH2 TRP 88 HH TRP 88 6.189 -4.254 -3.417 646 H GLN 89 H GLN 89 15.065 -8.158 -3.960 647 HA GLN 89 HA GLN 89 16.346 -7.607 -1.600 648 HB2 GLN 89 1HB GLN 89 17.222 -7.781 -4.488 649 HB3 GLN 89 2HB GLN 89 18.429 -7.318 -3.289 650 HG2 GLN 89 1HG GLN 89 18.053 -9.280 -2.009 651 HG3 GLN 89 2HG GLN 89 16.797 -9.866 -3.077 652 HE21 GLN 89 1HE2 GLN 89 18.474 -8.852 -5.552 653 HE22 GLN 89 2HE2 GLN 89 19.759 -10.003 -5.716 654 H THR 90 H THR 90 16.269 -5.326 -4.367 655 HA THR 90 HA THR 90 18.063 -3.500 -3.061 656 HB THR 90 HB THR 90 17.639 -3.715 -5.495 657 HG1 THR 90 1HG THR 90 17.295 -1.037 -4.700 658 HG21 THR 90 3HG2 THR 90 15.330 -1.823 -5.134 659 HG22 THR 90 1HG2 THR 90 15.090 -3.578 -5.259 660 HG23 THR 90 2HG2 THR 90 15.836 -2.685 -6.598 661 H TYR 91 H TYR 91 14.621 -4.014 -2.596 662 HA TYR 91 HA TYR 91 14.406 -1.520 -1.017 663 HB2 TYR 91 1HB TYR 91 12.295 -3.401 -2.106 664 HB3 TYR 91 2HB TYR 91 11.952 -2.141 -0.934 665 HD1 TYR 91 1HD TYR 91 13.105 -2.768 -4.407 666 HD2 TYR 91 2HD TYR 91 11.797 0.219 -1.570 667 HE1 TYR 91 1HE TYR 91 13.175 -1.067 -6.168 668 HE2 TYR 91 2HE TYR 91 11.710 1.905 -3.372 669 HH TYR 91 HH TYR 91 12.386 2.364 -5.628 670 H ALA 92 H ALA 92 15.904 -4.228 -0.291 671 HA ALA 92 HA ALA 92 14.492 -5.384 1.894 672 HB1 ALA 92 1HB ALA 92 17.478 -5.193 1.376 673 HB2 ALA 92 2HB ALA 92 16.689 -6.229 2.570 674 HB3 ALA 92 3HB ALA 92 16.388 -6.513 0.855 675 H ALA 93 H ALA 93 16.091 -2.296 1.532 676 HA ALA 93 HA ALA 93 16.684 -1.684 4.166 677 HB1 ALA 93 1HB ALA 93 17.279 -0.219 2.282 678 HB2 ALA 93 2HB ALA 93 15.560 0.187 2.031 679 HB3 ALA 93 3HB ALA 93 16.384 0.685 3.507 680 H TRP 94 H TRP 94 13.506 -2.108 2.739 681 HA TRP 94 HA TRP 94 12.206 -0.980 5.174 682 HB2 TRP 94 1HB TRP 94 11.178 -1.290 2.338 683 HB3 TRP 94 2HB TRP 94 10.253 -0.673 3.686 684 HD1 TRP 94 HD TRP 94 10.772 1.782 4.556 685 HE1 TRP 94 1HE TRP 94 11.845 3.785 3.484 686 HE3 TRP 94 3HE TRP 94 13.098 -0.583 0.668 687 HZ2 TRP 94 2HZ TRP 94 13.564 4.319 1.220 688 HZ3 TRP 94 3HZ TRP 94 14.494 0.719 -0.955 689 HH2 TRP 94 HH TRP 94 14.731 3.162 -0.678 690 H ILE 95 H ILE 95 12.950 -3.986 3.740 691 HA ILE 95 HA ILE 95 10.292 -5.165 4.177 692 HB ILE 95 HB ILE 95 12.822 -6.309 2.985 693 HG12 ILE 95 1HG1 ILE 95 10.165 -5.601 1.623 694 HG13 ILE 95 2HG1 ILE 95 11.502 -4.483 1.684 695 HG21 ILE 95 1HG2 ILE 95 10.017 -7.493 3.027 696 HG22 ILE 95 2HG2 ILE 95 11.474 -8.229 2.337 697 HG23 ILE 95 3HG2 ILE 95 11.338 -8.049 4.080 698 HD11 ILE 95 3HD1 ILE 95 11.643 -5.529 -0.426 699 HD12 ILE 95 1HD1 ILE 95 12.949 -6.246 0.528 700 HD13 ILE 95 2HD1 ILE 95 11.448 -7.143 0.258 701 H GLN 96 H GLN 96 9.811 -5.901 6.197 702 HA GLN 96 HA GLN 96 11.809 -7.389 7.731 703 HB2 GLN 96 1HB GLN 96 10.958 -5.880 9.785 704 HB3 GLN 96 2HB GLN 96 12.429 -5.551 8.881 705 HG2 GLN 96 1HG GLN 96 11.272 -3.792 7.633 706 HG3 GLN 96 2HG GLN 96 9.756 -4.178 8.477 707 HE21 GLN 96 1HE2 GLN 96 9.657 -3.763 10.826 708 HE22 GLN 96 2HE2 GLN 96 10.813 -2.678 11.585 709 HA PRO 97 HA PRO 97 8.406 -9.732 9.019 710 HB2 PRO 97 1HB PRO 97 8.695 -10.171 11.716 711 HB3 PRO 97 2HB PRO 97 9.613 -10.995 10.422 712 HG2 PRO 97 1HG PRO 97 10.415 -8.585 12.073 713 HG3 PRO 97 2HG PRO 97 11.391 -10.042 11.687 714 HD2 PRO 97 1HD PRO 97 11.714 -7.784 10.280 715 HD3 PRO 97 2HD PRO 97 11.687 -9.350 9.448 716 H MET 98 H MET 98 6.422 -9.859 9.937 717 HA MET 98 HA MET 98 5.125 -7.496 11.104 718 HB2 MET 98 1HB MET 98 4.207 -10.330 10.421 719 HB3 MET 98 2HB MET 98 3.194 -9.171 11.268 720 HG2 MET 98 1HG MET 98 3.608 -7.547 9.386 721 HG3 MET 98 2HG MET 98 4.274 -8.915 8.480 722 HE1 MET 98 3HE MET 98 2.831 -9.390 6.567 723 HE2 MET 98 1HE MET 98 2.752 -10.901 7.508 724 HE3 MET 98 2HE MET 98 1.292 -10.257 6.743 725 H GLU 99 H GLU 99 3.639 -8.204 13.131 726 HA GLU 99 HA GLU 99 5.400 -9.432 15.192 727 HB2 GLU 99 1HB GLU 99 2.968 -7.647 15.580 728 HB3 GLU 99 2HB GLU 99 4.056 -8.261 16.821 729 HG2 GLU 99 1HG GLU 99 5.931 -6.944 15.640 730 HG3 GLU 99 2HG GLU 99 4.649 -6.158 14.701 731 H GLN 100 H GLN 100 3.707 -10.347 16.944 732 HA GLN 100 HA GLN 100 2.641 -12.733 15.858 733 HB2 GLN 100 1HB GLN 100 1.827 -11.498 18.512 734 HB3 GLN 100 2HB GLN 100 1.725 -13.180 18.045 735 HG2 GLN 100 1HG GLN 100 3.542 -13.137 19.484 736 HG3 GLN 100 2HG GLN 100 4.331 -13.042 17.910 737 HE21 GLN 100 1HE2 GLN 100 3.044 -10.900 20.569 738 HE22 GLN 100 2HE2 GLN 100 4.310 -9.673 20.335 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -20.513 13.147 -8.133 2 HA2 GLY 1 1HA GLY 1 -21.719 11.479 -9.484 3 HA3 GLY 1 2HA GLY 1 -20.164 11.157 -10.304 4 H SER 2 H SER 2 -22.184 10.061 -7.846 5 HA SER 2 HA SER 2 -20.155 9.526 -5.824 6 HB2 SER 2 1HB SER 2 -23.030 8.544 -5.990 7 HB3 SER 2 2HB SER 2 -21.966 8.566 -4.567 8 HG SER 2 HG SER 2 -23.298 10.341 -4.493 9 H HIS 3 H HIS 3 -18.615 8.263 -6.757 10 HA HIS 3 HA HIS 3 -19.399 5.692 -8.036 11 HB2 HIS 3 1HB HIS 3 -17.376 7.831 -8.788 12 HB3 HIS 3 2HB HIS 3 -17.236 6.183 -9.347 13 HD1 HIS 3 1HD HIS 3 -20.666 8.007 -9.340 14 HD2 HIS 3 2HD HIS 3 -17.603 6.599 -11.869 15 HE1 HIS 3 1HE HIS 3 -21.489 8.350 -11.733 16 H GLU 4 H GLU 4 -17.920 3.990 -7.733 17 HA GLU 4 HA GLU 4 -16.864 3.793 -5.094 18 HB2 GLU 4 1HB GLU 4 -16.146 1.569 -5.736 19 HB3 GLU 4 2HB GLU 4 -17.771 1.882 -6.330 20 HG2 GLU 4 1HG GLU 4 -16.778 2.342 -8.601 21 HG3 GLU 4 2HG GLU 4 -15.199 1.891 -7.968 22 H GLY 5 H GLY 5 -14.927 4.460 -4.308 23 HA2 GLY 5 1HA GLY 5 -12.415 4.350 -5.558 24 HA3 GLY 5 2HA GLY 5 -13.099 5.938 -5.925 25 H GLU 6 H GLU 6 -12.676 3.693 -3.166 26 HA GLU 6 HA GLU 6 -12.118 5.992 -1.359 27 HB2 GLU 6 1HB GLU 6 -13.984 3.694 -1.111 28 HB3 GLU 6 2HB GLU 6 -12.852 3.795 0.212 29 HG2 GLU 6 1HG GLU 6 -13.444 6.208 0.545 30 HG3 GLU 6 2HG GLU 6 -14.589 6.089 -0.796 31 HA PRO 7 HA PRO 7 -8.215 4.363 -0.914 32 HB2 PRO 7 1HB PRO 7 -7.347 5.132 1.509 33 HB3 PRO 7 2HB PRO 7 -8.006 6.341 0.375 34 HG2 PRO 7 1HG PRO 7 -9.517 4.899 2.607 35 HG3 PRO 7 2HG PRO 7 -9.419 6.655 2.322 36 HD2 PRO 7 1HD PRO 7 -11.479 5.188 1.387 37 HD3 PRO 7 2HD PRO 7 -10.821 6.558 0.454 38 H VAL 8 H VAL 8 -9.227 2.110 -1.146 39 HA VAL 8 HA VAL 8 -8.115 0.321 0.916 40 HB VAL 8 HB VAL 8 -10.478 0.715 1.485 41 HG11 VAL 8 1HG1 VAL 8 -11.431 1.124 -0.749 42 HG12 VAL 8 2HG1 VAL 8 -11.178 -0.583 -1.172 43 HG13 VAL 8 3HG1 VAL 8 -12.301 -0.132 0.132 44 HG21 VAL 8 3HG2 VAL 8 -10.062 -2.141 0.555 45 HG22 VAL 8 1HG2 VAL 8 -9.371 -1.427 2.040 46 HG23 VAL 8 2HG2 VAL 8 -11.124 -1.551 1.844 47 H VAL 9 H VAL 9 -8.079 -2.017 -0.111 48 HA VAL 9 HA VAL 9 -7.429 -1.706 -2.985 49 HB VAL 9 HB VAL 9 -5.390 -1.872 -1.573 50 HG11 VAL 9 1HG1 VAL 9 -6.219 -3.243 0.278 51 HG12 VAL 9 2HG1 VAL 9 -6.293 -4.647 -0.805 52 HG13 VAL 9 3HG1 VAL 9 -4.740 -3.873 -0.444 53 HG21 VAL 9 3HG2 VAL 9 -5.646 -4.398 -3.221 54 HG22 VAL 9 1HG2 VAL 9 -5.519 -2.782 -3.946 55 HG23 VAL 9 2HG2 VAL 9 -4.213 -3.394 -2.925 56 H GLY 10 H GLY 10 -7.757 -3.656 -4.288 57 HA2 GLY 10 1HA GLY 10 -8.723 -6.072 -3.611 58 HA3 GLY 10 2HA GLY 10 -10.179 -5.073 -3.488 59 H MET 11 H MET 11 -10.669 -3.679 -5.366 60 HA MET 11 HA MET 11 -10.106 -5.168 -7.881 61 HB2 MET 11 1HB MET 11 -12.674 -4.155 -6.646 62 HB3 MET 11 2HB MET 11 -12.568 -4.585 -8.355 63 HG2 MET 11 1HG MET 11 -11.501 -6.632 -6.436 64 HG3 MET 11 2HG MET 11 -13.216 -6.346 -6.386 65 HE1 MET 11 3HE MET 11 -10.836 -8.326 -9.793 66 HE2 MET 11 1HE MET 11 -10.443 -6.659 -9.346 67 HE3 MET 11 2HE MET 11 -10.294 -7.971 -8.144 68 H ASP 12 H ASP 12 -9.307 -2.203 -6.659 69 HA ASP 12 HA ASP 12 -9.122 -1.197 -9.405 70 HB2 ASP 12 1HB ASP 12 -11.082 -0.011 -8.340 71 HB3 ASP 12 2HB ASP 12 -9.981 0.599 -7.103 72 H LYS 13 H LYS 13 -7.324 0.294 -9.577 73 HA LYS 13 HA LYS 13 -5.646 0.756 -7.285 74 HB2 LYS 13 1HB LYS 13 -4.677 -0.933 -9.608 75 HB3 LYS 13 2HB LYS 13 -3.577 0.131 -8.741 76 HG2 LYS 13 1HG LYS 13 -4.961 -1.202 -6.690 77 HG3 LYS 13 2HG LYS 13 -4.745 -2.459 -7.898 78 HD2 LYS 13 1HD LYS 13 -2.442 -2.489 -7.599 79 HD3 LYS 13 2HD LYS 13 -2.351 -0.756 -7.234 80 HE2 LYS 13 1HE LYS 13 -3.615 -1.223 -5.079 81 HE3 LYS 13 2HE LYS 13 -3.337 -2.953 -5.385 82 HZ1 LYS 13 3HZ LYS 13 -1.144 -0.986 -5.314 83 HZ2 LYS 13 1HZ LYS 13 -1.069 -2.635 -5.241 84 HZ3 LYS 13 2HZ LYS 13 -1.660 -1.750 -3.953 85 H SER 14 H SER 14 -6.877 2.737 -7.891 86 HA SER 14 HA SER 14 -4.670 4.440 -8.936 87 HB2 SER 14 1HB SER 14 -7.561 4.462 -9.737 88 HB3 SER 14 2HB SER 14 -6.624 5.971 -9.786 89 HG SER 14 HG SER 14 -5.396 5.196 -11.335 90 H LEU 15 H LEU 15 -7.724 4.354 -7.044 91 HA LEU 15 HA LEU 15 -7.607 6.891 -6.028 92 HB2 LEU 15 1HB LEU 15 -9.360 6.216 -4.497 93 HB3 LEU 15 2HB LEU 15 -9.631 5.809 -6.163 94 HG LEU 15 HG LEU 15 -10.276 4.179 -4.309 95 HD11 LEU 15 1HD1 LEU 15 -10.222 3.671 -6.792 96 HD12 LEU 15 2HD1 LEU 15 -10.178 2.319 -5.661 97 HD13 LEU 15 3HD1 LEU 15 -8.689 2.830 -6.457 98 HD21 LEU 15 3HD2 LEU 15 -7.351 3.367 -4.552 99 HD22 LEU 15 1HD2 LEU 15 -8.614 2.469 -3.685 100 HD23 LEU 15 2HD2 LEU 15 -8.117 4.072 -3.109 101 H PHE 16 H PHE 16 -5.028 5.298 -5.196 102 HA PHE 16 HA PHE 16 -5.328 5.279 -2.263 103 HB2 PHE 16 1HB PHE 16 -2.962 4.505 -3.976 104 HB3 PHE 16 2HB PHE 16 -3.018 4.468 -2.219 105 HD1 PHE 16 2HD PHE 16 -4.805 3.118 -5.255 106 HD2 PHE 16 1HD PHE 16 -3.800 2.621 -1.092 107 HE1 PHE 16 2HE PHE 16 -5.823 0.841 -5.261 108 HE2 PHE 16 1HE PHE 16 -4.661 0.279 -1.175 109 HZ PHE 16 HZ PHE 16 -5.685 -0.562 -3.310 110 H ALA 17 H ALA 17 -4.291 7.625 -4.581 111 HA ALA 17 HA ALA 17 -2.874 9.186 -2.463 112 HB1 ALA 17 1HB ALA 17 -1.616 8.977 -4.519 113 HB2 ALA 17 2HB ALA 17 -3.022 9.500 -5.485 114 HB3 ALA 17 3HB ALA 17 -2.245 10.632 -4.360 115 H GLY 18 H GLY 18 -5.041 9.498 -1.330 116 HA2 GLY 18 1HA GLY 18 -6.084 12.021 -2.141 117 HA3 GLY 18 2HA GLY 18 -7.247 10.783 -2.570 118 H ASN 19 H ASN 19 -6.250 9.266 0.125 119 HA ASN 19 HA ASN 19 -7.823 11.015 1.938 120 HB2 ASN 19 1HB ASN 19 -8.544 8.655 1.244 121 HB3 ASN 19 2HB ASN 19 -7.297 8.066 2.342 122 HD21 ASN 19 1HD2 ASN 19 -8.328 7.518 4.375 123 HD22 ASN 19 2HD2 ASN 19 -9.557 8.512 5.064 124 H THR 20 H THR 20 -6.297 12.322 2.675 125 HA THR 20 HA THR 20 -3.600 11.813 3.318 126 HB THR 20 HB THR 20 -4.031 14.249 4.294 127 HG1 THR 20 1HG THR 20 -5.974 15.112 3.373 128 HG21 THR 20 3HG2 THR 20 -3.019 13.796 2.082 129 HG22 THR 20 1HG2 THR 20 -4.117 15.172 2.014 130 HG23 THR 20 2HG2 THR 20 -4.628 13.601 1.364 131 H VAL 21 H VAL 21 -5.312 10.017 4.860 132 HA VAL 21 HA VAL 21 -4.498 10.599 7.642 133 HB VAL 21 HB VAL 21 -6.629 11.673 7.287 134 HG11 VAL 21 1HG1 VAL 21 -7.723 8.929 6.628 135 HG12 VAL 21 2HG1 VAL 21 -8.692 10.386 6.952 136 HG13 VAL 21 3HG1 VAL 21 -7.634 10.350 5.546 137 HG21 VAL 21 3HG2 VAL 21 -6.093 10.750 9.493 138 HG22 VAL 21 1HG2 VAL 21 -7.832 10.787 9.164 139 HG23 VAL 21 2HG2 VAL 21 -6.958 9.252 9.076 140 H ILE 22 H ILE 22 -4.699 8.333 5.059 141 HA ILE 22 HA ILE 22 -5.390 6.039 6.587 142 HB ILE 22 HB ILE 22 -5.906 6.214 4.281 143 HG12 ILE 22 1HG1 ILE 22 -3.852 4.010 4.623 144 HG13 ILE 22 2HG1 ILE 22 -5.403 4.039 5.474 145 HG21 ILE 22 1HG2 ILE 22 -3.048 5.879 3.355 146 HG22 ILE 22 2HG2 ILE 22 -4.492 6.316 2.424 147 HG23 ILE 22 3HG2 ILE 22 -3.752 7.484 3.523 148 HD11 ILE 22 3HD1 ILE 22 -6.605 4.122 3.355 149 HD12 ILE 22 1HD1 ILE 22 -5.057 3.977 2.451 150 HD13 ILE 22 2HD1 ILE 22 -5.608 2.676 3.537 151 H ARG 23 H ARG 23 -4.038 6.015 8.337 152 HA ARG 23 HA ARG 23 -1.143 6.041 8.058 153 HB2 ARG 23 1HB ARG 23 -2.919 5.375 10.423 154 HB3 ARG 23 2HB ARG 23 -1.151 5.260 10.483 155 HG2 ARG 23 1HG ARG 23 -0.938 7.607 9.742 156 HG3 ARG 23 2HG ARG 23 -2.697 7.789 9.736 157 HD2 ARG 23 1HD ARG 23 -0.931 7.203 12.141 158 HD3 ARG 23 2HD ARG 23 -1.579 8.780 11.711 159 HE ARG 23 HE ARG 23 -3.829 7.965 12.076 160 HH11 ARG 23 1HH1 ARG 23 -1.186 6.094 13.611 161 HH12 ARG 23 2HH1 ARG 23 -2.238 5.084 14.521 162 HH21 ARG 23 1HH2 ARG 23 -5.206 6.856 13.591 163 HH22 ARG 23 2HH2 ARG 23 -4.563 5.498 14.482 164 H GLU 24 H GLU 24 -3.273 3.582 7.210 165 HA GLU 24 HA GLU 24 -1.152 1.517 7.486 166 HB2 GLU 24 1HB GLU 24 -3.964 1.310 8.659 167 HB3 GLU 24 2HB GLU 24 -2.858 -0.047 8.457 168 HG2 GLU 24 1HG GLU 24 -1.256 0.985 10.019 169 HG3 GLU 24 2HG GLU 24 -2.368 2.351 10.262 170 H ILE 25 H ILE 25 -1.220 0.117 5.794 171 HA ILE 25 HA ILE 25 -3.708 -0.306 4.264 172 HB ILE 25 HB ILE 25 -1.031 0.425 3.010 173 HG12 ILE 25 1HG1 ILE 25 -3.788 1.666 2.671 174 HG13 ILE 25 2HG1 ILE 25 -2.533 2.303 3.725 175 HG21 ILE 25 1HG2 ILE 25 -2.097 -1.502 1.825 176 HG22 ILE 25 2HG2 ILE 25 -3.578 -0.552 1.622 177 HG23 ILE 25 3HG2 ILE 25 -2.062 -0.063 0.827 178 HD11 ILE 25 3HD1 ILE 25 -1.045 2.625 1.754 179 HD12 ILE 25 1HD1 ILE 25 -2.399 2.153 0.701 180 HD13 ILE 25 2HD1 ILE 25 -2.530 3.597 1.715 181 H THR 26 H THR 26 -4.033 -2.420 4.433 182 HA THR 26 HA THR 26 -1.826 -4.410 4.475 183 HB THR 26 HB THR 26 -4.861 -4.582 4.711 184 HG1 THR 26 1HG THR 26 -3.620 -4.049 6.606 185 HG21 THR 26 3HG2 THR 26 -2.870 -6.866 4.692 186 HG22 THR 26 1HG2 THR 26 -4.060 -6.548 3.387 187 HG23 THR 26 2HG2 THR 26 -4.627 -6.995 4.980 188 H VAL 27 H VAL 27 -1.367 -5.623 2.533 189 HA VAL 27 HA VAL 27 -3.275 -5.364 0.299 190 HB VAL 27 HB VAL 27 -0.284 -5.257 -0.206 191 HG11 VAL 27 1HG1 VAL 27 -2.761 -4.740 -1.899 192 HG12 VAL 27 2HG1 VAL 27 -1.123 -4.339 -2.437 193 HG13 VAL 27 3HG1 VAL 27 -1.542 -6.019 -2.109 194 HG21 VAL 27 3HG2 VAL 27 -2.142 -2.862 -0.104 195 HG22 VAL 27 1HG2 VAL 27 -0.765 -3.214 0.986 196 HG23 VAL 27 2HG2 VAL 27 -0.464 -2.881 -0.712 197 H GLN 28 H GLN 28 -3.520 -7.241 -0.833 198 HA GLN 28 HA GLN 28 -2.282 -9.622 0.371 199 HB2 GLN 28 1HB GLN 28 -4.396 -10.739 -0.323 200 HB3 GLN 28 2HB GLN 28 -4.612 -9.412 0.784 201 HG2 GLN 28 1HG GLN 28 -5.347 -7.966 -1.061 202 HG3 GLN 28 2HG GLN 28 -5.059 -9.290 -2.218 203 HE21 GLN 28 1HE2 GLN 28 -6.845 -8.577 0.843 204 HE22 GLN 28 2HE2 GLN 28 -8.165 -9.700 0.517 205 HA PRO 29 HA PRO 29 -0.135 -10.833 -3.106 206 HB2 PRO 29 1HB PRO 29 -0.745 -13.526 -3.519 207 HB3 PRO 29 2HB PRO 29 0.358 -12.884 -2.263 208 HG2 PRO 29 1HG PRO 29 -2.517 -13.714 -1.995 209 HG3 PRO 29 2HG PRO 29 -1.154 -13.974 -0.845 210 HD2 PRO 29 1HD PRO 29 -2.954 -12.074 -0.444 211 HD3 PRO 29 2HD PRO 29 -1.241 -11.824 -0.029 212 H ASN 30 H ASN 30 -0.268 -10.845 -5.331 213 HA ASN 30 HA ASN 30 -1.181 -10.352 -7.351 214 HB2 ASN 30 1HB ASN 30 -2.885 -12.770 -6.698 215 HB3 ASN 30 2HB ASN 30 -2.568 -12.096 -8.290 216 HD21 ASN 30 1HD2 ASN 30 -1.442 -14.460 -6.022 217 HD22 ASN 30 2HD2 ASN 30 0.073 -14.740 -6.802 218 H ILE 31 H ILE 31 -2.077 -8.260 -6.494 219 HA ILE 31 HA ILE 31 -5.010 -8.162 -6.789 220 HB ILE 31 HB ILE 31 -4.406 -8.699 -4.432 221 HG12 ILE 31 1HG1 ILE 31 -5.988 -6.879 -3.469 222 HG13 ILE 31 2HG1 ILE 31 -6.192 -6.370 -5.142 223 HG21 ILE 31 1HG2 ILE 31 -2.474 -7.131 -4.322 224 HG22 ILE 31 2HG2 ILE 31 -3.636 -5.803 -4.172 225 HG23 ILE 31 3HG2 ILE 31 -3.586 -7.109 -2.941 226 HD11 ILE 31 3HD1 ILE 31 -7.963 -7.962 -4.557 227 HD12 ILE 31 1HD1 ILE 31 -6.866 -8.758 -5.689 228 HD13 ILE 31 2HD1 ILE 31 -6.768 -9.133 -3.969 229 H GLY 32 H GLY 32 -2.850 -7.287 -8.528 230 HA2 GLY 32 1HA GLY 32 -3.423 -5.595 -10.126 231 HA3 GLY 32 2HA GLY 32 -3.665 -4.436 -8.815 232 H LEU 33 H LEU 33 -1.968 -3.591 -10.768 233 HA LEU 33 HA LEU 33 0.808 -4.336 -10.140 234 HB2 LEU 33 1HB LEU 33 0.234 -3.934 -12.451 235 HB3 LEU 33 2HB LEU 33 -0.471 -2.370 -12.060 236 HG LEU 33 HG LEU 33 1.779 -1.471 -11.464 237 HD11 LEU 33 1HD1 LEU 33 3.042 -3.346 -10.781 238 HD12 LEU 33 2HD1 LEU 33 3.763 -2.785 -12.282 239 HD13 LEU 33 3HD1 LEU 33 2.716 -4.222 -12.309 240 HD21 LEU 33 3HD2 LEU 33 0.814 -1.229 -13.730 241 HD22 LEU 33 1HD2 LEU 33 1.554 -2.768 -14.222 242 HD23 LEU 33 2HD2 LEU 33 2.568 -1.368 -13.797 243 H LEU 34 H LEU 34 1.993 -3.331 -8.649 244 HA LEU 34 HA LEU 34 1.303 -0.758 -7.417 245 HB2 LEU 34 1HB LEU 34 3.762 -2.578 -7.335 246 HB3 LEU 34 2HB LEU 34 3.661 -1.047 -6.497 247 HG LEU 34 HG LEU 34 1.620 -3.243 -6.026 248 HD11 LEU 34 1HD1 LEU 34 3.407 -4.452 -5.321 249 HD12 LEU 34 2HD1 LEU 34 3.165 -3.522 -3.862 250 HD13 LEU 34 3HD1 LEU 34 4.428 -3.045 -5.009 251 HD21 LEU 34 3HD2 LEU 34 1.180 -2.133 -3.953 252 HD22 LEU 34 1HD2 LEU 34 1.103 -0.917 -5.236 253 HD23 LEU 34 2HD2 LEU 34 2.522 -1.003 -4.188 254 H TYR 35 H TYR 35 1.146 0.653 -9.204 255 HA TYR 35 HA TYR 35 3.185 0.800 -11.226 256 HB2 TYR 35 1HB TYR 35 1.907 2.663 -12.076 257 HB3 TYR 35 2HB TYR 35 0.943 1.266 -11.757 258 HD1 TYR 35 2HD TYR 35 1.660 4.738 -10.702 259 HD2 TYR 35 1HD TYR 35 -0.973 1.355 -10.230 260 HE1 TYR 35 2HE TYR 35 -0.004 6.207 -9.694 261 HE2 TYR 35 1HE TYR 35 -2.710 2.893 -9.265 262 HH TYR 35 HH TYR 35 -2.323 6.343 -9.248 263 H ASP 36 H ASP 36 3.549 3.598 -11.506 264 HA ASP 36 HA ASP 36 5.497 4.287 -9.498 265 HB2 ASP 36 1HB ASP 36 6.029 6.082 -10.739 266 HB3 ASP 36 2HB ASP 36 5.434 5.022 -11.993 267 H GLY 37 H GLY 37 4.551 7.119 -9.145 268 HA2 GLY 37 1HA GLY 37 3.946 6.902 -6.565 269 HA3 GLY 37 2HA GLY 37 3.499 8.309 -7.516 270 H MET 38 H MET 38 2.298 5.092 -6.708 271 HA MET 38 HA MET 38 -0.478 5.542 -6.753 272 HB2 MET 38 1HB MET 38 1.365 3.715 -5.160 273 HB3 MET 38 2HB MET 38 -0.364 3.756 -4.810 274 HG2 MET 38 1HG MET 38 -0.714 3.327 -7.295 275 HG3 MET 38 2HG MET 38 0.992 2.894 -7.366 276 HE1 MET 38 3HE MET 38 -2.456 0.696 -5.172 277 HE2 MET 38 1HE MET 38 -1.858 2.245 -4.602 278 HE3 MET 38 2HE MET 38 -2.579 2.118 -6.223 279 H PHE 39 H PHE 39 1.845 6.737 -4.482 280 HA PHE 39 HA PHE 39 -0.243 7.287 -2.418 281 HB2 PHE 39 1HB PHE 39 2.621 6.388 -1.971 282 HB3 PHE 39 2HB PHE 39 1.355 6.544 -0.757 283 HD1 PHE 39 2HD PHE 39 -0.849 5.043 -1.311 284 HD2 PHE 39 1HD PHE 39 3.140 4.229 -2.741 285 HE1 PHE 39 2HE PHE 39 -1.475 2.684 -1.795 286 HE2 PHE 39 1HE PHE 39 2.507 1.901 -3.216 287 HZ PHE 39 HZ PHE 39 0.190 1.127 -2.801 288 H SER 40 H SER 40 1.329 9.029 -4.586 289 HA SER 40 HA SER 40 3.080 10.686 -3.003 290 HB2 SER 40 1HB SER 40 3.119 10.446 -5.559 291 HB3 SER 40 2HB SER 40 1.731 11.557 -5.572 292 HG SER 40 HG SER 40 3.708 12.663 -5.755 293 H GLY 41 H GLY 41 2.447 12.035 -1.482 294 HA2 GLY 41 1HA GLY 41 1.171 13.856 -0.645 295 HA3 GLY 41 2HA GLY 41 -0.187 13.419 -1.667 296 H CYS 42 H CYS 42 0.975 10.608 -0.056 297 HA CYS 42 HA CYS 42 -1.223 10.562 1.860 298 HB2 CYS 42 1HB CYS 42 -0.150 8.567 2.695 299 HB3 CYS 42 2HB CYS 42 -0.403 8.467 0.976 300 HG CYS 42 HG CYS 42 2.344 9.188 2.647 301 H THR 43 H THR 43 -0.611 12.820 2.751 302 HA THR 43 HA THR 43 1.648 13.220 4.341 303 HB THR 43 HB THR 43 0.240 15.101 5.281 304 HG1 THR 43 1HG THR 43 -1.763 14.485 5.274 305 HG21 THR 43 3HG2 THR 43 0.158 14.767 2.241 306 HG22 THR 43 1HG2 THR 43 1.472 15.487 3.189 307 HG23 THR 43 2HG2 THR 43 -0.109 16.265 3.128 308 H ALA 44 H ALA 44 -0.417 10.790 5.003 309 HA ALA 44 HA ALA 44 0.479 10.665 7.734 310 HB1 ALA 44 1HB ALA 44 -2.496 10.536 7.157 311 HB2 ALA 44 2HB ALA 44 -1.733 10.293 8.738 312 HB3 ALA 44 3HB ALA 44 -1.693 11.892 7.975 313 H LEU 45 H LEU 45 1.098 9.024 5.273 314 HA LEU 45 HA LEU 45 0.001 6.418 6.281 315 HB2 LEU 45 1HB LEU 45 -0.523 6.878 3.966 316 HB3 LEU 45 2HB LEU 45 1.194 7.238 3.664 317 HG LEU 45 HG LEU 45 1.791 4.888 3.996 318 HD11 LEU 45 1HD1 LEU 45 -1.212 4.374 4.153 319 HD12 LEU 45 2HD1 LEU 45 -0.081 4.196 5.511 320 HD13 LEU 45 3HD1 LEU 45 0.050 3.149 4.098 321 HD21 LEU 45 3HD2 LEU 45 1.281 5.831 1.779 322 HD22 LEU 45 1HD2 LEU 45 -0.438 5.482 1.992 323 HD23 LEU 45 2HD2 LEU 45 0.740 4.149 1.857 324 H GLU 46 H GLU 46 1.382 5.339 7.586 325 HA GLU 46 HA GLU 46 4.316 5.559 7.022 326 HB2 GLU 46 1HB GLU 46 2.845 5.573 9.681 327 HB3 GLU 46 2HB GLU 46 4.564 5.213 9.531 328 HG2 GLU 46 1HG GLU 46 4.841 7.407 8.283 329 HG3 GLU 46 2HG GLU 46 3.201 7.801 8.817 330 H LYS 47 H LYS 47 1.678 3.297 7.376 331 HA LYS 47 HA LYS 47 3.686 1.112 7.739 332 HB2 LYS 47 1HB LYS 47 0.840 1.403 8.767 333 HB3 LYS 47 2HB LYS 47 1.553 -0.175 8.482 334 HG2 LYS 47 1HG LYS 47 3.522 0.567 9.943 335 HG3 LYS 47 2HG LYS 47 2.509 1.930 10.439 336 HD2 LYS 47 1HD LYS 47 0.932 0.495 11.527 337 HD3 LYS 47 2HD LYS 47 1.421 -0.902 10.578 338 HE2 LYS 47 1HE LYS 47 2.203 -1.204 12.828 339 HE3 LYS 47 2HE LYS 47 3.556 -1.063 11.709 340 HZ1 LYS 47 3HZ LYS 47 3.755 1.295 12.467 341 HZ2 LYS 47 1HZ LYS 47 4.022 0.197 13.641 342 HZ3 LYS 47 2HZ LYS 47 2.586 1.002 13.587 343 H LEU 48 H LEU 48 3.228 -0.844 6.797 344 HA LEU 48 HA LEU 48 1.134 -1.105 4.797 345 HB2 LEU 48 1HB LEU 48 3.275 -0.371 3.565 346 HB3 LEU 48 2HB LEU 48 4.003 -1.835 4.146 347 HG LEU 48 HG LEU 48 2.008 -3.106 3.003 348 HD11 LEU 48 1HD1 LEU 48 1.012 -1.933 1.135 349 HD12 LEU 48 2HD1 LEU 48 1.948 -0.483 1.525 350 HD13 LEU 48 3HD1 LEU 48 0.658 -1.040 2.615 351 HD21 LEU 48 3HD2 LEU 48 3.145 -2.672 0.688 352 HD22 LEU 48 1HD2 LEU 48 4.000 -3.498 1.963 353 HD23 LEU 48 2HD2 LEU 48 4.370 -1.803 1.679 354 H ILE 49 H ILE 49 0.510 -3.384 4.742 355 HA ILE 49 HA ILE 49 2.306 -5.329 6.094 356 HB ILE 49 HB ILE 49 -0.707 -5.095 6.432 357 HG12 ILE 49 1HG1 ILE 49 1.225 -5.317 8.757 358 HG13 ILE 49 2HG1 ILE 49 1.059 -3.744 8.005 359 HG21 ILE 49 1HG2 ILE 49 -0.074 -7.464 6.166 360 HG22 ILE 49 2HG2 ILE 49 1.332 -7.245 7.226 361 HG23 ILE 49 3HG2 ILE 49 -0.298 -7.200 7.907 362 HD11 ILE 49 3HD1 ILE 49 -1.437 -5.246 8.778 363 HD12 ILE 49 1HD1 ILE 49 -0.510 -4.291 9.979 364 HD13 ILE 49 2HD1 ILE 49 -1.200 -3.522 8.547 365 H LEU 50 H LEU 50 2.646 -7.117 4.752 366 HA LEU 50 HA LEU 50 0.926 -7.318 2.317 367 HB2 LEU 50 1HB LEU 50 3.783 -8.205 2.743 368 HB3 LEU 50 2HB LEU 50 2.825 -8.501 1.298 369 HG LEU 50 HG LEU 50 3.976 -5.917 2.324 370 HD11 LEU 50 1HD1 LEU 50 5.024 -5.798 0.177 371 HD12 LEU 50 2HD1 LEU 50 4.138 -7.241 -0.385 372 HD13 LEU 50 3HD1 LEU 50 5.342 -7.375 0.918 373 HD21 LEU 50 3HD2 LEU 50 2.819 -4.848 0.305 374 HD22 LEU 50 1HD2 LEU 50 1.823 -5.139 1.730 375 HD23 LEU 50 2HD2 LEU 50 1.725 -6.234 0.343 376 H THR 51 H THR 51 -0.568 -8.945 2.553 377 HA THR 51 HA THR 51 -0.248 -10.839 4.682 378 HB THR 51 HB THR 51 -2.422 -11.564 4.218 379 HG1 THR 51 1HG THR 51 -2.720 -12.042 2.231 380 HG21 THR 51 3HG2 THR 51 -3.783 -9.608 4.041 381 HG22 THR 51 1HG2 THR 51 -2.517 -8.708 3.197 382 HG23 THR 51 2HG2 THR 51 -2.302 -9.144 4.910 383 H GLY 52 H GLY 52 0.934 -10.955 1.482 384 HA2 GLY 52 1HA GLY 52 0.545 -13.827 0.999 385 HA3 GLY 52 2HA GLY 52 1.415 -12.670 -0.013 386 H GLU 53 H GLU 53 2.777 -14.906 0.113 387 HA GLU 53 HA GLU 53 4.773 -14.557 2.278 388 HB2 GLU 53 1HB GLU 53 4.828 -16.803 2.702 389 HB3 GLU 53 2HB GLU 53 3.109 -16.412 2.558 390 HG2 GLU 53 1HG GLU 53 3.826 -16.953 -0.058 391 HG3 GLU 53 2HG GLU 53 4.886 -18.033 0.836 392 H ASP 54 H ASP 54 4.506 -14.023 -0.948 393 HA ASP 54 HA ASP 54 7.347 -14.859 -1.400 394 HB2 ASP 54 1HB ASP 54 5.527 -16.543 -2.249 395 HB3 ASP 54 2HB ASP 54 5.158 -15.332 -3.465 396 HA PRO 55 HA PRO 55 7.329 -10.754 -3.267 397 HB2 PRO 55 1HB PRO 55 9.617 -10.924 -4.787 398 HB3 PRO 55 2HB PRO 55 9.607 -10.748 -3.015 399 HG2 PRO 55 1HG PRO 55 9.876 -13.306 -4.609 400 HG3 PRO 55 2HG PRO 55 10.886 -12.779 -3.230 401 HD2 PRO 55 1HD PRO 55 8.909 -14.490 -2.883 402 HD3 PRO 55 2HD PRO 55 9.197 -13.203 -1.679 403 H SER 56 H SER 56 7.511 -13.722 -5.229 404 HA SER 56 HA SER 56 6.700 -12.363 -7.684 405 HB2 SER 56 1HB SER 56 6.896 -15.310 -6.958 406 HB3 SER 56 2HB SER 56 6.504 -14.670 -8.563 407 HG SER 56 HG SER 56 8.413 -13.640 -8.677 408 H ALA 57 H ALA 57 4.983 -12.659 -4.896 409 HA ALA 57 HA ALA 57 2.438 -12.782 -6.454 410 HB1 ALA 57 1HB ALA 57 1.322 -13.069 -4.409 411 HB2 ALA 57 2HB ALA 57 2.670 -14.214 -4.394 412 HB3 ALA 57 3HB ALA 57 2.776 -12.713 -3.441 413 H TYR 58 H TYR 58 4.731 -10.492 -5.938 414 HA TYR 58 HA TYR 58 2.768 -8.291 -5.711 415 HB2 TYR 58 1HB TYR 58 5.284 -8.638 -4.046 416 HB3 TYR 58 2HB TYR 58 4.447 -7.105 -4.272 417 HD1 TYR 58 1HD TYR 58 4.039 -10.536 -2.845 418 HD2 TYR 58 2HD TYR 58 2.498 -6.536 -3.069 419 HE1 TYR 58 1HE TYR 58 2.415 -11.086 -1.094 420 HE2 TYR 58 2HE TYR 58 0.763 -7.094 -1.390 421 HH TYR 58 HH TYR 58 0.048 -8.684 0.192 422 H SER 59 H SER 59 2.923 -7.131 -7.469 423 HA SER 59 HA SER 59 5.230 -7.169 -9.268 424 HB2 SER 59 1HB SER 59 2.341 -6.777 -9.412 425 HB3 SER 59 2HB SER 59 3.130 -5.314 -9.992 426 HG SER 59 HG SER 59 4.052 -6.416 -11.620 427 H ALA 60 H ALA 60 5.698 -4.891 -10.195 428 HA ALA 60 HA ALA 60 5.500 -2.411 -8.605 429 HB1 ALA 60 1HB ALA 60 7.280 -3.457 -7.400 430 HB2 ALA 60 2HB ALA 60 8.089 -4.007 -8.896 431 HB3 ALA 60 3HB ALA 60 7.979 -2.283 -8.529 432 H GLY 61 H GLY 61 6.414 -0.803 -9.931 433 HA2 GLY 61 1HA GLY 61 6.611 -1.252 -12.846 434 HA3 GLY 61 2HA GLY 61 6.060 0.237 -12.040 435 H ASP 62 H ASP 62 7.485 1.709 -11.392 436 HA ASP 62 HA ASP 62 10.371 1.056 -11.208 437 HB2 ASP 62 1HB ASP 62 10.542 3.591 -11.799 438 HB3 ASP 62 2HB ASP 62 10.385 2.379 -13.062 439 H GLY 63 H GLY 63 7.913 3.493 -10.200 440 HA2 GLY 63 1HA GLY 63 9.359 3.796 -7.621 441 HA3 GLY 63 2HA GLY 63 8.302 4.970 -8.409 442 H LEU 64 H LEU 64 8.241 1.754 -6.956 443 HA LEU 64 HA LEU 64 5.634 1.049 -6.538 444 HB2 LEU 64 1HB LEU 64 7.032 -0.448 -5.726 445 HB3 LEU 64 2HB LEU 64 8.119 0.709 -4.950 446 HG LEU 64 HG LEU 64 6.588 0.942 -3.055 447 HD11 LEU 64 1HD1 LEU 64 4.880 -1.370 -3.516 448 HD12 LEU 64 2HD1 LEU 64 4.622 -0.148 -4.768 449 HD13 LEU 64 3HD1 LEU 64 4.452 0.301 -3.084 450 HD21 LEU 64 3HD2 LEU 64 7.306 -1.918 -3.732 451 HD22 LEU 64 1HD2 LEU 64 6.861 -1.350 -2.113 452 HD23 LEU 64 2HD2 LEU 64 8.332 -0.734 -2.902 453 H ARG 65 H ARG 65 7.507 3.429 -4.711 454 HA ARG 65 HA ARG 65 5.148 4.709 -3.496 455 HB2 ARG 65 1HB ARG 65 6.467 4.969 -1.333 456 HB3 ARG 65 2HB ARG 65 5.786 3.385 -1.650 457 HG2 ARG 65 1HG ARG 65 7.761 2.387 -1.584 458 HG3 ARG 65 2HG ARG 65 8.519 3.510 -2.728 459 HD2 ARG 65 1HD ARG 65 8.106 4.126 0.207 460 HD3 ARG 65 2HD ARG 65 9.509 3.248 -0.439 461 HE ARG 65 HE ARG 65 9.091 5.788 -1.780 462 HH11 ARG 65 1HH1 ARG 65 10.169 4.332 1.231 463 HH12 ARG 65 2HH1 ARG 65 11.092 5.686 1.746 464 HH21 ARG 65 1HH2 ARG 65 10.856 7.400 -1.374 465 HH22 ARG 65 2HH2 ARG 65 11.691 7.303 0.153 466 H ASP 66 H ASP 66 6.094 5.618 -5.727 467 HA ASP 66 HA ASP 66 8.071 7.681 -5.316 468 HB2 ASP 66 1HB ASP 66 6.824 6.689 -7.546 469 HB3 ASP 66 2HB ASP 66 5.837 8.121 -7.259 470 H GLY 67 H GLY 67 7.756 9.633 -4.277 471 HA2 GLY 67 1HA GLY 67 6.713 11.420 -3.298 472 HA3 GLY 67 2HA GLY 67 5.183 10.846 -3.946 473 H ALA 68 H ALA 68 6.542 8.383 -2.105 474 HA ALA 68 HA ALA 68 5.401 9.296 0.492 475 HB1 ALA 68 1HB ALA 68 4.928 6.580 -0.827 476 HB2 ALA 68 2HB ALA 68 4.404 7.056 0.801 477 HB3 ALA 68 3HB ALA 68 3.731 7.870 -0.622 478 H ASP 69 H ASP 69 6.117 7.796 2.293 479 HA ASP 69 HA ASP 69 8.432 6.105 1.886 480 HB2 ASP 69 1HB ASP 69 9.636 8.183 2.037 481 HB3 ASP 69 2HB ASP 69 8.698 8.702 3.444 482 H PHE 70 H PHE 70 7.379 4.397 2.822 483 HA PHE 70 HA PHE 70 6.615 4.693 5.670 484 HB2 PHE 70 1HB PHE 70 4.540 3.382 5.226 485 HB3 PHE 70 2HB PHE 70 4.530 4.977 4.501 486 HD1 PHE 70 1HD PHE 70 5.357 1.336 3.658 487 HD2 PHE 70 2HD PHE 70 3.952 5.198 2.262 488 HE1 PHE 70 1HE PHE 70 4.707 0.357 1.528 489 HE2 PHE 70 2HE PHE 70 3.345 4.186 0.081 490 HZ PHE 70 HZ PHE 70 3.719 1.757 -0.308 491 H LEU 71 H LEU 71 6.140 2.506 6.629 492 HA LEU 71 HA LEU 71 8.445 0.824 6.085 493 HB2 LEU 71 1HB LEU 71 7.589 1.786 8.303 494 HB3 LEU 71 2HB LEU 71 6.262 0.639 8.205 495 HG LEU 71 HG LEU 71 8.063 0.036 9.747 496 HD11 LEU 71 1HD1 LEU 71 7.732 -2.158 9.461 497 HD12 LEU 71 2HD1 LEU 71 8.270 -2.172 7.772 498 HD13 LEU 71 3HD1 LEU 71 6.623 -1.652 8.215 499 HD21 LEU 71 3HD2 LEU 71 9.853 -0.320 7.305 500 HD22 LEU 71 1HD2 LEU 71 10.273 -0.622 8.990 501 HD23 LEU 71 2HD2 LEU 71 9.941 1.018 8.458 502 H ILE 72 H ILE 72 8.350 -1.325 5.618 503 HA ILE 72 HA ILE 72 5.875 -2.553 4.523 504 HB ILE 72 HB ILE 72 8.683 -3.175 3.694 505 HG12 ILE 72 1HG1 ILE 72 6.672 -1.503 2.101 506 HG13 ILE 72 2HG1 ILE 72 7.976 -0.790 3.064 507 HG21 ILE 72 1HG2 ILE 72 6.033 -3.881 2.371 508 HG22 ILE 72 2HG2 ILE 72 7.642 -4.393 1.862 509 HG23 ILE 72 3HG2 ILE 72 6.977 -4.979 3.373 510 HD11 ILE 72 3HD1 ILE 72 9.608 -2.167 1.759 511 HD12 ILE 72 1HD1 ILE 72 8.260 -2.611 0.683 512 HD13 ILE 72 2HD1 ILE 72 8.751 -0.915 0.841 513 H CYS 73 H CYS 73 5.063 -3.668 6.321 514 HA CYS 73 HA CYS 73 6.845 -5.550 7.733 515 HB2 CYS 73 1HB CYS 73 3.862 -4.979 8.062 516 HB3 CYS 73 2HB CYS 73 4.737 -6.256 8.919 517 HG CYS 73 HG CYS 73 6.343 -4.969 10.258 518 H VAL 74 H VAL 74 6.982 -7.746 7.266 519 HA VAL 74 HA VAL 74 5.050 -9.010 5.379 520 HB VAL 74 HB VAL 74 7.045 -10.079 4.314 521 HG11 VAL 74 1HG1 VAL 74 7.671 -8.215 2.887 522 HG12 VAL 74 2HG1 VAL 74 5.945 -8.119 3.259 523 HG13 VAL 74 3HG1 VAL 74 7.094 -7.049 4.090 524 HG21 VAL 74 3HG2 VAL 74 9.278 -9.060 4.580 525 HG22 VAL 74 1HG2 VAL 74 8.675 -7.950 5.787 526 HG23 VAL 74 2HG2 VAL 74 8.710 -9.703 6.121 527 HA PRO 75 HA PRO 75 5.195 -12.135 8.453 528 HB2 PRO 75 1HB PRO 75 4.994 -14.560 7.141 529 HB3 PRO 75 2HB PRO 75 3.645 -13.414 7.391 530 HG2 PRO 75 1HG PRO 75 5.279 -13.873 4.930 531 HG3 PRO 75 2HG PRO 75 3.542 -13.502 5.077 532 HD2 PRO 75 1HD PRO 75 5.517 -11.639 4.446 533 HD3 PRO 75 2HD PRO 75 3.954 -11.212 5.190 534 H GLU 76 H GLU 76 6.584 -13.438 9.606 535 HA GLU 76 HA GLU 76 9.321 -13.290 9.152 536 HB2 GLU 76 1HB GLU 76 9.569 -14.958 10.937 537 HB3 GLU 76 2HB GLU 76 8.413 -13.691 11.347 538 HG2 GLU 76 1HG GLU 76 6.535 -15.189 10.859 539 HG3 GLU 76 2HG GLU 76 7.635 -16.466 10.341 540 H GLU 77 H GLU 77 7.081 -15.935 8.168 541 HA GLU 77 HA GLU 77 8.962 -17.790 7.375 542 HB2 GLU 77 1HB GLU 77 6.499 -17.978 7.982 543 HB3 GLU 77 2HB GLU 77 6.104 -17.338 6.372 544 HG2 GLU 77 1HG GLU 77 7.179 -19.227 5.316 545 HG3 GLU 77 2HG GLU 77 7.890 -19.718 6.862 546 H ALA 78 H ALA 78 7.991 -14.816 5.816 547 HA ALA 78 HA ALA 78 9.063 -15.706 3.156 548 HB1 ALA 78 1HB ALA 78 6.699 -15.033 3.234 549 HB2 ALA 78 2HB ALA 78 7.194 -13.415 3.833 550 HB3 ALA 78 3HB ALA 78 7.693 -13.964 2.225 551 H LEU 79 H LEU 79 10.075 -14.048 5.906 552 HA LEU 79 HA LEU 79 10.838 -11.533 4.930 553 HB2 LEU 79 1HB LEU 79 10.735 -12.365 7.320 554 HB3 LEU 79 2HB LEU 79 12.285 -13.155 7.044 555 HG LEU 79 HG LEU 79 13.265 -10.869 6.464 556 HD11 LEU 79 1HD1 LEU 79 12.049 -8.868 7.278 557 HD12 LEU 79 2HD1 LEU 79 10.599 -9.864 7.544 558 HD13 LEU 79 3HD1 LEU 79 11.246 -9.620 5.902 559 HD21 LEU 79 3HD2 LEU 79 13.555 -11.901 8.681 560 HD22 LEU 79 1HD2 LEU 79 11.998 -11.241 9.219 561 HD23 LEU 79 2HD2 LEU 79 13.346 -10.151 8.852 562 H ASP 80 H ASP 80 12.503 -14.615 4.674 563 HA ASP 80 HA ASP 80 15.025 -13.423 3.649 564 HB2 ASP 80 1HB ASP 80 14.728 -15.561 5.150 565 HB3 ASP 80 2HB ASP 80 14.303 -16.364 3.644 566 H ARG 81 H ARG 81 12.105 -15.115 2.478 567 HA ARG 81 HA ARG 81 12.620 -15.695 -0.132 568 HB2 ARG 81 1HB ARG 81 10.555 -16.014 1.386 569 HB3 ARG 81 2HB ARG 81 10.049 -14.439 0.787 570 HG2 ARG 81 1HG ARG 81 9.051 -15.862 -0.539 571 HG3 ARG 81 2HG ARG 81 10.398 -15.355 -1.585 572 HD2 ARG 81 1HD ARG 81 11.177 -17.491 -1.711 573 HD3 ARG 81 2HD ARG 81 10.980 -17.669 0.054 574 HE ARG 81 HE ARG 81 8.646 -17.878 -1.769 575 HH11 ARG 81 1HH1 ARG 81 11.015 -19.638 0.174 576 HH12 ARG 81 2HH1 ARG 81 9.886 -20.694 0.970 577 HH21 ARG 81 1HH2 ARG 81 7.066 -19.284 -0.742 578 HH22 ARG 81 2HH2 ARG 81 7.551 -20.442 0.444 579 H TYR 82 H TYR 82 11.144 -12.625 1.001 580 HA TYR 82 HA TYR 82 11.294 -11.355 -1.572 581 HB2 TYR 82 1HB TYR 82 10.872 -10.326 1.242 582 HB3 TYR 82 2HB TYR 82 10.983 -9.231 -0.091 583 HD1 TYR 82 1HD TYR 82 9.008 -12.363 0.811 584 HD2 TYR 82 2HD TYR 82 9.053 -8.525 -1.174 585 HE1 TYR 82 1HE TYR 82 6.546 -12.345 0.800 586 HE2 TYR 82 2HE TYR 82 6.558 -8.572 -1.272 587 HH TYR 82 HH TYR 82 4.748 -10.526 0.845 588 H ARG 83 H ARG 83 13.507 -11.297 1.295 589 HA ARG 83 HA ARG 83 15.270 -9.349 0.139 590 HB2 ARG 83 1HB ARG 83 15.504 -11.420 2.321 591 HB3 ARG 83 2HB ARG 83 16.935 -10.605 1.718 592 HG2 ARG 83 1HG ARG 83 15.483 -8.396 2.160 593 HG3 ARG 83 2HG ARG 83 14.608 -9.477 3.257 594 HD2 ARG 83 1HD ARG 83 16.361 -8.419 4.547 595 HD3 ARG 83 2HD ARG 83 16.866 -10.093 4.277 596 HE ARG 83 HE ARG 83 17.791 -8.267 2.206 597 HH11 ARG 83 1HH1 ARG 83 18.680 -9.268 5.496 598 HH12 ARG 83 2HH1 ARG 83 20.371 -9.400 5.139 599 HH21 ARG 83 1HH2 ARG 83 19.882 -8.229 1.794 600 HH22 ARG 83 2HH2 ARG 83 21.126 -8.741 2.907 601 H ARG 84 H ARG 84 14.915 -12.811 -0.576 602 HA ARG 84 HA ARG 84 17.395 -12.859 -2.151 603 HB2 ARG 84 1HB ARG 84 15.197 -14.859 -1.479 604 HB3 ARG 84 2HB ARG 84 16.361 -15.201 -2.763 605 HG2 ARG 84 1HG ARG 84 18.233 -14.885 -1.217 606 HG3 ARG 84 2HG ARG 84 17.096 -14.528 0.078 607 HD2 ARG 84 1HD ARG 84 16.150 -16.781 -0.043 608 HD3 ARG 84 2HD ARG 84 17.283 -17.184 -1.349 609 HE ARG 84 HE ARG 84 18.830 -16.168 0.729 610 HH11 ARG 84 1HH1 ARG 84 16.567 -18.914 0.608 611 HH12 ARG 84 2HH1 ARG 84 17.511 -19.867 1.683 612 HH21 ARG 84 1HH2 ARG 84 19.851 -17.339 2.304 613 HH22 ARG 84 2HH2 ARG 84 19.321 -18.928 2.740 614 H ASP 85 H ASP 85 14.388 -11.453 -2.811 615 HA ASP 85 HA ASP 85 13.945 -12.521 -5.465 616 HB2 ASP 85 1HB ASP 85 12.277 -11.248 -3.950 617 HB3 ASP 85 2HB ASP 85 13.159 -9.782 -4.422 618 H TYR 86 H TYR 86 14.408 -11.507 -7.527 619 HA TYR 86 HA TYR 86 16.904 -10.109 -7.687 620 HB2 TYR 86 1HB TYR 86 15.724 -11.613 -9.393 621 HB3 TYR 86 2HB TYR 86 14.719 -10.245 -9.795 622 HD1 TYR 86 2HD TYR 86 18.211 -11.548 -9.813 623 HD2 TYR 86 1HD TYR 86 15.582 -8.407 -11.171 624 HE1 TYR 86 2HE TYR 86 19.945 -10.803 -11.403 625 HE2 TYR 86 1HE TYR 86 17.308 -7.660 -12.757 626 HH TYR 86 HH TYR 86 20.243 -9.413 -13.441 627 H PHE 87 H PHE 87 13.448 -9.053 -7.763 628 HA PHE 87 HA PHE 87 14.218 -6.270 -8.284 629 HB2 PHE 87 1HB PHE 87 12.210 -7.562 -9.294 630 HB3 PHE 87 2HB PHE 87 11.419 -7.339 -7.750 631 HD1 PHE 87 2HD PHE 87 11.146 -4.900 -6.872 632 HD2 PHE 87 1HD PHE 87 12.147 -5.880 -10.962 633 HE1 PHE 87 2HE PHE 87 10.625 -2.576 -7.590 634 HE2 PHE 87 1HE PHE 87 11.488 -3.599 -11.664 635 HZ PHE 87 HZ PHE 87 10.758 -1.936 -9.974 636 H TRP 88 H TRP 88 12.232 -7.958 -5.799 637 HA TRP 88 HA TRP 88 11.874 -5.715 -4.239 638 HB2 TRP 88 1HB TRP 88 11.581 -8.647 -3.545 639 HB3 TRP 88 2HB TRP 88 11.302 -7.412 -2.349 640 HD1 TRP 88 HD TRP 88 9.784 -8.722 -5.626 641 HE1 TRP 88 1HE TRP 88 7.410 -7.751 -5.874 642 HE3 TRP 88 3HE TRP 88 9.787 -5.446 -1.696 643 HZ2 TRP 88 2HZ TRP 88 5.948 -5.525 -4.849 644 HZ3 TRP 88 3HZ TRP 88 7.916 -3.842 -1.408 645 HH2 TRP 88 HH TRP 88 6.019 -3.845 -3.045 646 H GLN 89 H GLN 89 14.851 -7.451 -4.206 647 HA GLN 89 HA GLN 89 15.991 -6.790 -1.737 648 HB2 GLN 89 1HB GLN 89 16.909 -6.949 -4.631 649 HB3 GLN 89 2HB GLN 89 17.984 -6.193 -3.440 650 HG2 GLN 89 1HG GLN 89 17.789 -8.155 -1.987 651 HG3 GLN 89 2HG GLN 89 16.759 -8.964 -3.144 652 HE21 GLN 89 1HE2 GLN 89 17.683 -9.627 -5.180 653 HE22 GLN 89 2HE2 GLN 89 19.437 -9.712 -5.451 654 H THR 90 H THR 90 15.389 -4.683 -4.552 655 HA THR 90 HA THR 90 16.869 -2.496 -3.571 656 HB THR 90 HB THR 90 16.202 -2.985 -5.898 657 HG1 THR 90 1HG THR 90 16.746 -0.739 -4.952 658 HG21 THR 90 3HG2 THR 90 14.106 -2.632 -6.800 659 HG22 THR 90 1HG2 THR 90 13.603 -1.524 -5.510 660 HG23 THR 90 2HG2 THR 90 13.655 -3.274 -5.220 661 H TYR 91 H TYR 91 13.775 -3.539 -2.356 662 HA TYR 91 HA TYR 91 13.541 -0.933 -0.907 663 HB2 TYR 91 1HB TYR 91 11.369 -2.816 -1.813 664 HB3 TYR 91 2HB TYR 91 11.130 -1.626 -0.540 665 HD1 TYR 91 1HD TYR 91 11.733 -2.050 -4.156 666 HD2 TYR 91 2HD TYR 91 11.127 0.815 -0.992 667 HE1 TYR 91 1HE TYR 91 11.243 -0.286 -5.841 668 HE2 TYR 91 2HE TYR 91 10.663 2.568 -2.671 669 HH TYR 91 HH TYR 91 10.801 3.081 -5.114 670 H ALA 92 H ALA 92 15.160 -3.540 -0.368 671 HA ALA 92 HA ALA 92 14.078 -4.586 2.097 672 HB1 ALA 92 1HB ALA 92 16.868 -4.729 0.921 673 HB2 ALA 92 2HB ALA 92 16.249 -5.704 2.270 674 HB3 ALA 92 3HB ALA 92 15.567 -5.907 0.648 675 H ALA 93 H ALA 93 15.100 -1.506 1.482 676 HA ALA 93 HA ALA 93 16.458 -1.063 4.001 677 HB1 ALA 93 1HB ALA 93 16.766 0.398 1.935 678 HB2 ALA 93 2HB ALA 93 15.148 1.038 2.257 679 HB3 ALA 93 3HB ALA 93 16.417 1.251 3.457 680 H TRP 94 H TRP 94 13.145 -1.591 3.092 681 HA TRP 94 HA TRP 94 12.236 -0.423 5.699 682 HB2 TRP 94 1HB TRP 94 10.708 -0.453 3.077 683 HB3 TRP 94 2HB TRP 94 10.158 0.194 4.603 684 HD1 TRP 94 HD TRP 94 10.812 2.602 5.254 685 HE1 TRP 94 1HE TRP 94 11.770 4.574 3.919 686 HE3 TRP 94 3HE TRP 94 12.546 0.080 1.142 687 HZ2 TRP 94 2HZ TRP 94 13.596 4.911 1.692 688 HZ3 TRP 94 3HZ TRP 94 13.897 1.284 -0.594 689 HH2 TRP 94 HH TRP 94 14.462 3.652 -0.306 690 H ILE 95 H ILE 95 12.755 -3.341 4.263 691 HA ILE 95 HA ILE 95 10.117 -4.540 4.813 692 HB ILE 95 HB ILE 95 12.602 -5.569 3.438 693 HG12 ILE 95 1HG1 ILE 95 9.781 -5.150 2.367 694 HG13 ILE 95 2HG1 ILE 95 11.033 -3.926 2.265 695 HG21 ILE 95 1HG2 ILE 95 9.972 -7.032 3.865 696 HG22 ILE 95 2HG2 ILE 95 11.343 -7.635 2.922 697 HG23 ILE 95 3HG2 ILE 95 11.497 -7.464 4.666 698 HD11 ILE 95 3HD1 ILE 95 10.994 -5.031 0.167 699 HD12 ILE 95 1HD1 ILE 95 12.467 -5.566 0.985 700 HD13 ILE 95 2HD1 ILE 95 11.060 -6.642 0.907 701 H GLN 96 H GLN 96 9.706 -5.167 6.861 702 HA GLN 96 HA GLN 96 11.749 -6.638 8.412 703 HB2 GLN 96 1HB GLN 96 10.700 -5.379 10.461 704 HB3 GLN 96 2HB GLN 96 12.046 -4.664 9.559 705 HG2 GLN 96 1HG GLN 96 10.476 -3.149 8.463 706 HG3 GLN 96 2HG GLN 96 9.110 -4.006 9.204 707 HE21 GLN 96 1HE2 GLN 96 12.166 -2.164 10.148 708 HE22 GLN 96 2HE2 GLN 96 11.373 -1.515 11.594 709 HA PRO 97 HA PRO 97 8.563 -9.439 9.128 710 HB2 PRO 97 1HB PRO 97 8.603 -10.143 11.813 711 HB3 PRO 97 2HB PRO 97 9.794 -10.665 10.588 712 HG2 PRO 97 1HG PRO 97 9.989 -8.310 12.493 713 HG3 PRO 97 2HG PRO 97 11.210 -9.587 12.187 714 HD2 PRO 97 1HD PRO 97 11.425 -7.232 10.949 715 HD3 PRO 97 2HD PRO 97 11.685 -8.724 10.010 716 H MET 98 H MET 98 6.505 -9.925 10.044 717 HA MET 98 HA MET 98 4.875 -7.748 11.185 718 HB2 MET 98 1HB MET 98 4.280 -10.613 10.279 719 HB3 MET 98 2HB MET 98 3.115 -9.642 11.184 720 HG2 MET 98 1HG MET 98 3.388 -7.845 9.412 721 HG3 MET 98 2HG MET 98 4.172 -9.093 8.426 722 HE1 MET 98 3HE MET 98 1.283 -10.959 6.925 723 HE2 MET 98 1HE MET 98 2.699 -9.945 6.570 724 HE3 MET 98 2HE MET 98 2.853 -11.348 7.657 725 H GLU 99 H GLU 99 3.468 -8.475 13.090 726 HA GLU 99 HA GLU 99 4.865 -10.328 14.942 727 HB2 GLU 99 1HB GLU 99 3.668 -7.579 15.542 728 HB3 GLU 99 2HB GLU 99 4.094 -8.778 16.757 729 HG2 GLU 99 1HG GLU 99 6.445 -8.813 15.540 730 HG3 GLU 99 2HG GLU 99 5.930 -7.246 14.913 731 H GLN 100 H GLN 100 3.067 -10.571 16.891 732 HA GLN 100 HA GLN 100 0.367 -11.019 15.737 733 HB2 GLN 100 1HB GLN 100 0.157 -12.806 17.554 734 HB3 GLN 100 2HB GLN 100 1.010 -13.241 16.079 735 HG2 GLN 100 1HG GLN 100 3.103 -13.295 17.117 736 HG3 GLN 100 2HG GLN 100 2.599 -12.268 18.465 737 HE21 GLN 100 1HE2 GLN 100 3.026 -13.585 20.223 738 HE22 GLN 100 2HE2 GLN 100 2.251 -15.150 20.439 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -19.173 14.690 -2.580 2 HA2 GLY 1 1HA GLY 1 -17.659 12.205 -2.045 3 HA3 GLY 1 2HA GLY 1 -19.314 12.451 -1.443 4 H SER 2 H SER 2 -18.035 10.578 -3.512 5 HA SER 2 HA SER 2 -20.326 10.622 -5.289 6 HB2 SER 2 1HB SER 2 -18.583 10.270 -7.246 7 HB3 SER 2 2HB SER 2 -19.247 11.853 -6.841 8 HG SER 2 HG SER 2 -16.745 11.099 -6.951 9 H HIS 3 H HIS 3 -20.800 8.865 -4.071 10 HA HIS 3 HA HIS 3 -21.033 6.793 -3.473 11 HB2 HIS 3 1HB HIS 3 -18.964 5.849 -5.452 12 HB3 HIS 3 2HB HIS 3 -20.356 4.982 -4.808 13 HD1 HIS 3 1HD HIS 3 -19.517 5.999 -8.024 14 HD2 HIS 3 2HD HIS 3 -22.650 7.191 -5.441 15 HE1 HIS 3 1HE HIS 3 -21.308 6.991 -9.488 16 H GLU 4 H GLU 4 -19.814 4.798 -2.541 17 HA GLU 4 HA GLU 4 -18.127 5.786 -0.435 18 HB2 GLU 4 1HB GLU 4 -19.074 3.077 -1.389 19 HB3 GLU 4 2HB GLU 4 -17.849 3.182 -0.102 20 HG2 GLU 4 1HG GLU 4 -19.284 4.454 1.318 21 HG3 GLU 4 2HG GLU 4 -20.480 4.701 0.034 22 H GLY 5 H GLY 5 -15.962 5.256 0.020 23 HA2 GLY 5 1HA GLY 5 -14.158 3.738 -1.371 24 HA3 GLY 5 2HA GLY 5 -14.215 5.255 -2.287 25 H GLU 6 H GLU 6 -13.918 3.997 1.045 26 HA GLU 6 HA GLU 6 -12.002 5.958 1.936 27 HB2 GLU 6 1HB GLU 6 -12.759 3.084 2.614 28 HB3 GLU 6 2HB GLU 6 -11.159 3.670 2.997 29 HG2 GLU 6 1HG GLU 6 -12.409 5.663 4.165 30 HG3 GLU 6 2HG GLU 6 -13.706 4.454 4.289 31 HA PRO 7 HA PRO 7 -8.662 4.377 -0.691 32 HB2 PRO 7 1HB PRO 7 -6.473 4.859 0.816 33 HB3 PRO 7 2HB PRO 7 -7.416 6.250 0.205 34 HG2 PRO 7 1HG PRO 7 -7.782 4.890 2.952 35 HG3 PRO 7 2HG PRO 7 -7.436 6.578 2.655 36 HD2 PRO 7 1HD PRO 7 -9.943 5.689 2.984 37 HD3 PRO 7 2HD PRO 7 -9.640 6.880 1.681 38 H VAL 8 H VAL 8 -9.491 2.154 -0.628 39 HA VAL 8 HA VAL 8 -7.904 0.372 1.134 40 HB VAL 8 HB VAL 8 -10.906 0.009 0.732 41 HG11 VAL 8 1HG1 VAL 8 -10.632 -1.836 2.394 42 HG12 VAL 8 2HG1 VAL 8 -9.703 -2.148 0.927 43 HG13 VAL 8 3HG1 VAL 8 -8.880 -1.565 2.391 44 HG21 VAL 8 3HG2 VAL 8 -11.122 0.352 3.170 45 HG22 VAL 8 1HG2 VAL 8 -9.401 0.804 3.246 46 HG23 VAL 8 2HG2 VAL 8 -10.556 1.786 2.317 47 H VAL 9 H VAL 9 -7.022 -1.240 -0.050 48 HA VAL 9 HA VAL 9 -7.399 -1.381 -2.869 49 HB VAL 9 HB VAL 9 -5.324 -1.990 -1.746 50 HG11 VAL 9 1HG1 VAL 9 -6.290 -3.157 0.272 51 HG12 VAL 9 2HG1 VAL 9 -6.534 -4.570 -0.748 52 HG13 VAL 9 3HG1 VAL 9 -4.901 -3.931 -0.484 53 HG21 VAL 9 3HG2 VAL 9 -6.535 -4.221 -3.348 54 HG22 VAL 9 1HG2 VAL 9 -5.680 -2.801 -3.970 55 HG23 VAL 9 2HG2 VAL 9 -4.800 -4.017 -3.015 56 H GLY 10 H GLY 10 -9.118 -2.204 -3.973 57 HA2 GLY 10 1HA GLY 10 -10.167 -4.850 -3.158 58 HA3 GLY 10 2HA GLY 10 -11.306 -3.521 -3.453 59 H MET 11 H MET 11 -8.761 -5.500 -4.881 60 HA MET 11 HA MET 11 -7.950 -5.918 -6.894 61 HB2 MET 11 1HB MET 11 -10.787 -5.402 -7.723 62 HB3 MET 11 2HB MET 11 -9.519 -5.868 -8.862 63 HG2 MET 11 1HG MET 11 -9.039 -7.841 -7.275 64 HG3 MET 11 2HG MET 11 -10.563 -7.420 -6.498 65 HE1 MET 11 3HE MET 11 -8.728 -8.900 -9.551 66 HE2 MET 11 1HE MET 11 -10.021 -9.201 -10.734 67 HE3 MET 11 2HE MET 11 -9.499 -7.539 -10.404 68 H ASP 12 H ASP 12 -9.921 -2.906 -7.400 69 HA ASP 12 HA ASP 12 -8.150 -2.119 -9.557 70 HB2 ASP 12 1HB ASP 12 -10.773 -1.405 -8.662 71 HB3 ASP 12 2HB ASP 12 -9.821 0.042 -8.608 72 H LYS 13 H LYS 13 -6.062 -1.948 -8.641 73 HA LYS 13 HA LYS 13 -5.605 -0.095 -6.430 74 HB2 LYS 13 1HB LYS 13 -3.755 -1.587 -8.296 75 HB3 LYS 13 2HB LYS 13 -3.156 -0.215 -7.367 76 HG2 LYS 13 1HG LYS 13 -4.037 -1.266 -5.251 77 HG3 LYS 13 2HG LYS 13 -4.458 -2.702 -6.208 78 HD2 LYS 13 1HD LYS 13 -2.067 -2.844 -6.915 79 HD3 LYS 13 2HD LYS 13 -1.661 -1.499 -5.847 80 HE2 LYS 13 1HE LYS 13 -1.885 -2.759 -3.914 81 HE3 LYS 13 2HE LYS 13 -3.223 -3.701 -4.601 82 HZ1 LYS 13 3HZ LYS 13 -1.629 -4.849 -5.991 83 HZ2 LYS 13 1HZ LYS 13 -1.419 -5.158 -4.399 84 HZ3 LYS 13 2HZ LYS 13 -0.374 -4.167 -5.212 85 H SER 14 H SER 14 -6.912 1.679 -7.292 86 HA SER 14 HA SER 14 -5.154 3.738 -8.220 87 HB2 SER 14 1HB SER 14 -6.797 4.302 -10.125 88 HB3 SER 14 2HB SER 14 -5.583 3.028 -10.365 89 HG SER 14 HG SER 14 -8.304 2.541 -9.656 90 H LEU 15 H LEU 15 -6.235 3.590 -5.739 91 HA LEU 15 HA LEU 15 -7.802 5.949 -5.653 92 HB2 LEU 15 1HB LEU 15 -9.606 4.912 -4.149 93 HB3 LEU 15 2HB LEU 15 -9.771 4.991 -5.883 94 HG LEU 15 HG LEU 15 -9.151 2.627 -6.123 95 HD11 LEU 15 1HD1 LEU 15 -7.691 2.535 -4.160 96 HD12 LEU 15 2HD1 LEU 15 -8.880 1.203 -4.148 97 HD13 LEU 15 3HD1 LEU 15 -9.077 2.630 -3.091 98 HD21 LEU 15 3HD2 LEU 15 -11.182 1.676 -5.216 99 HD22 LEU 15 1HD2 LEU 15 -11.497 3.297 -5.845 100 HD23 LEU 15 2HD2 LEU 15 -11.371 3.040 -4.085 101 H PHE 16 H PHE 16 -5.503 6.162 -4.878 102 HA PHE 16 HA PHE 16 -5.434 5.728 -1.929 103 HB2 PHE 16 1HB PHE 16 -3.089 5.038 -3.786 104 HB3 PHE 16 2HB PHE 16 -3.064 5.113 -2.035 105 HD1 PHE 16 2HD PHE 16 -4.637 3.454 -4.972 106 HD2 PHE 16 1HD PHE 16 -3.786 3.278 -0.784 107 HE1 PHE 16 2HE PHE 16 -5.683 1.195 -4.864 108 HE2 PHE 16 1HE PHE 16 -4.671 0.930 -0.715 109 HZ PHE 16 HZ PHE 16 -5.646 -0.077 -2.752 110 H ALA 17 H ALA 17 -3.897 7.467 -4.690 111 HA ALA 17 HA ALA 17 -3.048 9.646 -3.040 112 HB1 ALA 17 1HB ALA 17 -1.942 9.178 -5.171 113 HB2 ALA 17 2HB ALA 17 -3.476 9.370 -6.055 114 HB3 ALA 17 3HB ALA 17 -2.718 10.766 -5.272 115 H GLY 18 H GLY 18 -5.157 9.778 -1.843 116 HA2 GLY 18 1HA GLY 18 -6.489 12.166 -2.750 117 HA3 GLY 18 2HA GLY 18 -7.559 10.760 -2.834 118 H ASN 19 H ASN 19 -6.339 9.461 -0.333 119 HA ASN 19 HA ASN 19 -7.764 11.239 1.606 120 HB2 ASN 19 1HB ASN 19 -8.703 9.074 0.840 121 HB3 ASN 19 2HB ASN 19 -7.343 8.279 1.545 122 HD21 ASN 19 1HD2 ASN 19 -7.110 8.529 3.982 123 HD22 ASN 19 2HD2 ASN 19 -8.595 8.693 4.935 124 H THR 20 H THR 20 -6.026 12.415 2.324 125 HA THR 20 HA THR 20 -3.466 11.814 3.040 126 HB THR 20 HB THR 20 -4.083 14.016 4.546 127 HG1 THR 20 1HG THR 20 -5.995 14.818 4.088 128 HG21 THR 20 3HG2 THR 20 -2.649 13.931 2.515 129 HG22 THR 20 1HG2 THR 20 -3.700 15.344 2.618 130 HG23 THR 20 2HG2 THR 20 -4.125 14.019 1.506 131 H VAL 21 H VAL 21 -5.544 10.036 4.624 132 HA VAL 21 HA VAL 21 -4.370 10.347 7.318 133 HB VAL 21 HB VAL 21 -7.363 10.172 7.093 134 HG11 VAL 21 1HG1 VAL 21 -7.266 11.185 9.326 135 HG12 VAL 21 2HG1 VAL 21 -6.204 9.776 9.280 136 HG13 VAL 21 3HG1 VAL 21 -5.513 11.407 9.173 137 HG21 VAL 21 3HG2 VAL 21 -5.841 12.801 7.070 138 HG22 VAL 21 1HG2 VAL 21 -6.970 12.219 5.817 139 HG23 VAL 21 2HG2 VAL 21 -7.564 12.629 7.420 140 H ILE 22 H ILE 22 -4.244 8.336 5.026 141 HA ILE 22 HA ILE 22 -5.210 5.912 6.359 142 HB ILE 22 HB ILE 22 -5.827 5.938 4.116 143 HG12 ILE 22 1HG1 ILE 22 -3.315 4.221 4.337 144 HG13 ILE 22 2HG1 ILE 22 -4.900 3.851 5.032 145 HG21 ILE 22 1HG2 ILE 22 -3.864 7.664 3.355 146 HG22 ILE 22 2HG2 ILE 22 -3.149 6.169 2.804 147 HG23 ILE 22 3HG2 ILE 22 -4.774 6.661 2.238 148 HD11 ILE 22 3HD1 ILE 22 -4.794 2.655 2.950 149 HD12 ILE 22 1HD1 ILE 22 -5.876 3.998 2.747 150 HD13 ILE 22 2HD1 ILE 22 -4.245 4.103 2.068 151 H ARG 23 H ARG 23 -3.792 5.211 7.772 152 HA ARG 23 HA ARG 23 -0.937 6.037 7.642 153 HB2 ARG 23 1HB ARG 23 -2.431 4.709 9.930 154 HB3 ARG 23 2HB ARG 23 -0.805 5.381 9.965 155 HG2 ARG 23 1HG ARG 23 -1.809 7.633 9.428 156 HG3 ARG 23 2HG ARG 23 -3.419 6.907 9.641 157 HD2 ARG 23 1HD ARG 23 -2.732 6.224 11.967 158 HD3 ARG 23 2HD ARG 23 -1.209 7.120 11.721 159 HE ARG 23 HE ARG 23 -3.956 8.204 11.965 160 HH11 ARG 23 1HH1 ARG 23 -0.497 8.991 11.713 161 HH12 ARG 23 2HH1 ARG 23 -0.756 10.674 11.409 162 HH21 ARG 23 1HH2 ARG 23 -4.320 10.347 11.696 163 HH22 ARG 23 2HH2 ARG 23 -2.991 11.504 11.709 164 H GLU 24 H GLU 24 -3.078 3.440 7.021 165 HA GLU 24 HA GLU 24 -0.869 1.483 7.186 166 HB2 GLU 24 1HB GLU 24 -2.817 1.913 9.274 167 HB3 GLU 24 2HB GLU 24 -3.215 0.357 8.508 168 HG2 GLU 24 1HG GLU 24 -0.929 -0.425 8.799 169 HG3 GLU 24 2HG GLU 24 -0.405 1.173 9.306 170 H ILE 25 H ILE 25 -0.946 -0.100 5.839 171 HA ILE 25 HA ILE 25 -3.288 -0.453 4.067 172 HB ILE 25 HB ILE 25 -0.430 0.169 3.223 173 HG12 ILE 25 1HG1 ILE 25 -2.917 1.863 3.368 174 HG13 ILE 25 2HG1 ILE 25 -1.351 2.200 4.021 175 HG21 ILE 25 1HG2 ILE 25 -1.299 0.133 0.951 176 HG22 ILE 25 2HG2 ILE 25 -1.816 -1.361 1.732 177 HG23 ILE 25 3HG2 ILE 25 -2.971 -0.016 1.576 178 HD11 ILE 25 3HD1 ILE 25 -1.797 3.676 2.151 179 HD12 ILE 25 1HD1 ILE 25 -0.493 2.563 1.699 180 HD13 ILE 25 2HD1 ILE 25 -2.146 2.326 1.079 181 H THR 26 H THR 26 -3.677 -2.510 4.973 182 HA THR 26 HA THR 26 -1.564 -4.539 4.809 183 HB THR 26 HB THR 26 -4.502 -4.815 5.562 184 HG1 THR 26 1HG THR 26 -3.666 -3.467 7.002 185 HG21 THR 26 3HG2 THR 26 -3.451 -6.952 5.025 186 HG22 THR 26 1HG2 THR 26 -3.650 -6.827 6.780 187 HG23 THR 26 2HG2 THR 26 -2.047 -6.574 6.040 188 H VAL 27 H VAL 27 -1.084 -4.731 2.600 189 HA VAL 27 HA VAL 27 -3.221 -5.115 0.593 190 HB VAL 27 HB VAL 27 -0.269 -5.545 0.045 191 HG11 VAL 27 1HG1 VAL 27 -1.791 -5.981 -1.834 192 HG12 VAL 27 2HG1 VAL 27 -2.540 -4.384 -1.635 193 HG13 VAL 27 3HG1 VAL 27 -0.842 -4.540 -2.155 194 HG21 VAL 27 3HG2 VAL 27 -0.313 -3.353 1.202 195 HG22 VAL 27 1HG2 VAL 27 0.035 -3.176 -0.514 196 HG23 VAL 27 2HG2 VAL 27 -1.599 -2.829 0.080 197 H GLN 28 H GLN 28 -3.108 -7.115 -0.807 198 HA GLN 28 HA GLN 28 -2.101 -9.524 0.596 199 HB2 GLN 28 1HB GLN 28 -4.669 -9.259 -1.022 200 HB3 GLN 28 2HB GLN 28 -4.149 -10.591 -0.016 201 HG2 GLN 28 1HG GLN 28 -4.244 -8.864 1.969 202 HG3 GLN 28 2HG GLN 28 -5.291 -7.959 0.896 203 HE21 GLN 28 1HE2 GLN 28 -4.927 -10.717 2.881 204 HE22 GLN 28 2HE2 GLN 28 -6.592 -11.290 2.823 205 HA PRO 29 HA PRO 29 -0.189 -10.478 -3.195 206 HB2 PRO 29 1HB PRO 29 -0.577 -13.194 -3.550 207 HB3 PRO 29 2HB PRO 29 0.529 -12.476 -2.326 208 HG2 PRO 29 1HG PRO 29 -2.304 -13.453 -1.958 209 HG3 PRO 29 2HG PRO 29 -0.865 -13.757 -0.904 210 HD2 PRO 29 1HD PRO 29 -2.595 -11.883 -0.220 211 HD3 PRO 29 2HD PRO 29 -0.846 -11.602 -0.058 212 H ASN 30 H ASN 30 -0.487 -10.723 -5.330 213 HA ASN 30 HA ASN 30 -1.432 -10.336 -7.289 214 HB2 ASN 30 1HB ASN 30 -3.275 -12.630 -6.786 215 HB3 ASN 30 2HB ASN 30 -2.552 -12.101 -8.290 216 HD21 ASN 30 1HD2 ASN 30 -2.245 -14.178 -5.592 217 HD22 ASN 30 2HD2 ASN 30 -0.602 -14.728 -5.852 218 H ILE 31 H ILE 31 -2.282 -8.306 -6.277 219 HA ILE 31 HA ILE 31 -5.150 -8.021 -6.825 220 HB ILE 31 HB ILE 31 -4.971 -8.693 -4.483 221 HG12 ILE 31 1HG1 ILE 31 -6.138 -6.264 -3.771 222 HG13 ILE 31 2HG1 ILE 31 -6.358 -6.296 -5.508 223 HG21 ILE 31 1HG2 ILE 31 -3.848 -5.998 -3.775 224 HG22 ILE 31 2HG2 ILE 31 -3.948 -7.487 -2.816 225 HG23 ILE 31 3HG2 ILE 31 -2.794 -7.363 -4.159 226 HD11 ILE 31 3HD1 ILE 31 -7.445 -8.540 -5.274 227 HD12 ILE 31 1HD1 ILE 31 -7.149 -8.450 -3.509 228 HD13 ILE 31 2HD1 ILE 31 -8.253 -7.302 -4.282 229 H GLY 32 H GLY 32 -3.422 -7.193 -8.572 230 HA2 GLY 32 1HA GLY 32 -3.631 -5.223 -9.837 231 HA3 GLY 32 2HA GLY 32 -3.773 -4.258 -8.395 232 H LEU 33 H LEU 33 -2.040 -4.018 -10.785 233 HA LEU 33 HA LEU 33 0.732 -4.352 -10.039 234 HB2 LEU 33 1HB LEU 33 0.099 -4.079 -12.343 235 HB3 LEU 33 2HB LEU 33 -0.760 -2.579 -11.993 236 HG LEU 33 HG LEU 33 1.389 -1.440 -11.505 237 HD11 LEU 33 1HD1 LEU 33 2.789 -3.376 -10.817 238 HD12 LEU 33 2HD1 LEU 33 3.522 -2.508 -12.161 239 HD13 LEU 33 3HD1 LEU 33 2.674 -4.042 -12.454 240 HD21 LEU 33 3HD2 LEU 33 1.284 -2.824 -14.217 241 HD22 LEU 33 1HD2 LEU 33 2.164 -1.329 -13.829 242 HD23 LEU 33 2HD2 LEU 33 0.399 -1.354 -13.748 243 H LEU 34 H LEU 34 2.056 -2.934 -8.995 244 HA LEU 34 HA LEU 34 0.843 -0.657 -7.513 245 HB2 LEU 34 1HB LEU 34 3.212 -2.506 -7.161 246 HB3 LEU 34 2HB LEU 34 3.242 -0.904 -6.431 247 HG LEU 34 HG LEU 34 0.776 -2.583 -6.024 248 HD11 LEU 34 1HD1 LEU 34 3.380 -3.085 -4.533 249 HD12 LEU 34 2HD1 LEU 34 2.458 -4.242 -5.498 250 HD13 LEU 34 3HD1 LEU 34 1.778 -3.622 -3.982 251 HD21 LEU 34 3HD2 LEU 34 0.660 -1.356 -4.002 252 HD22 LEU 34 1HD2 LEU 34 1.151 -0.186 -5.242 253 HD23 LEU 34 2HD2 LEU 34 2.371 -0.845 -4.114 254 H TYR 35 H TYR 35 0.690 0.616 -9.521 255 HA TYR 35 HA TYR 35 3.055 1.089 -11.087 256 HB2 TYR 35 1HB TYR 35 1.696 2.633 -12.319 257 HB3 TYR 35 2HB TYR 35 0.778 1.179 -12.015 258 HD1 TYR 35 2HD TYR 35 1.246 4.722 -10.992 259 HD2 TYR 35 1HD TYR 35 -1.361 1.297 -10.858 260 HE1 TYR 35 2HE TYR 35 -0.521 6.138 -10.047 261 HE2 TYR 35 1HE TYR 35 -3.166 2.744 -9.978 262 HH TYR 35 HH TYR 35 -2.716 6.238 -9.564 263 H ASP 36 H ASP 36 3.881 3.272 -11.507 264 HA ASP 36 HA ASP 36 5.069 4.417 -9.156 265 HB2 ASP 36 1HB ASP 36 6.214 4.041 -11.272 266 HB3 ASP 36 2HB ASP 36 5.114 5.131 -12.086 267 H GLY 37 H GLY 37 4.064 5.811 -7.905 268 HA2 GLY 37 1HA GLY 37 3.367 8.062 -7.529 269 HA3 GLY 37 2HA GLY 37 2.541 8.085 -9.086 270 H MET 38 H MET 38 1.771 5.169 -7.522 271 HA MET 38 HA MET 38 -0.945 5.598 -7.026 272 HB2 MET 38 1HB MET 38 1.152 3.742 -5.928 273 HB3 MET 38 2HB MET 38 -0.370 3.827 -5.074 274 HG2 MET 38 1HG MET 38 -0.355 3.314 -8.023 275 HG3 MET 38 2HG MET 38 -0.040 2.046 -6.843 276 HE1 MET 38 3HE MET 38 -3.130 0.947 -5.274 277 HE2 MET 38 1HE MET 38 -1.372 0.852 -5.463 278 HE3 MET 38 2HE MET 38 -2.109 2.098 -4.423 279 H PHE 39 H PHE 39 1.807 6.257 -4.834 280 HA PHE 39 HA PHE 39 -0.094 7.006 -2.679 281 HB2 PHE 39 1HB PHE 39 2.809 6.068 -2.459 282 HB3 PHE 39 2HB PHE 39 1.651 6.236 -1.142 283 HD1 PHE 39 1HD PHE 39 -0.691 4.922 -1.678 284 HD2 PHE 39 2HD PHE 39 3.223 3.723 -3.136 285 HE1 PHE 39 1HE PHE 39 -1.553 2.683 -2.299 286 HE2 PHE 39 2HE PHE 39 2.328 1.662 -3.899 287 HZ PHE 39 HZ PHE 39 -0.073 1.063 -3.480 288 H SER 40 H SER 40 1.042 8.763 -4.878 289 HA SER 40 HA SER 40 2.707 10.709 -3.601 290 HB2 SER 40 1HB SER 40 2.150 10.378 -6.126 291 HB3 SER 40 2HB SER 40 0.661 11.271 -5.778 292 HG SER 40 HG SER 40 3.285 12.083 -5.986 293 H GLY 41 H GLY 41 2.141 11.881 -1.796 294 HA2 GLY 41 1HA GLY 41 0.958 13.610 -0.834 295 HA3 GLY 41 2HA GLY 41 -0.439 13.267 -1.846 296 H CYS 42 H CYS 42 0.883 10.496 -0.257 297 HA CYS 42 HA CYS 42 -1.467 10.242 1.507 298 HB2 CYS 42 1HB CYS 42 0.931 8.431 0.993 299 HB3 CYS 42 2HB CYS 42 -0.472 8.049 2.004 300 HG CYS 42 HG CYS 42 -2.247 8.385 0.138 301 H THR 43 H THR 43 -0.447 12.443 2.600 302 HA THR 43 HA THR 43 2.047 12.289 3.760 303 HB THR 43 HB THR 43 1.397 14.351 4.985 304 HG1 THR 43 1HG THR 43 -0.639 14.124 5.547 305 HG21 THR 43 3HG2 THR 43 0.354 14.315 2.126 306 HG22 THR 43 1HG2 THR 43 2.059 14.483 2.594 307 HG23 THR 43 2HG2 THR 43 0.891 15.731 3.048 308 H ALA 44 H ALA 44 -0.638 10.639 5.114 309 HA ALA 44 HA ALA 44 0.660 10.569 7.805 310 HB1 ALA 44 1HB ALA 44 -1.455 9.746 8.628 311 HB2 ALA 44 2HB ALA 44 -1.741 11.229 7.709 312 HB3 ALA 44 3HB ALA 44 -2.109 9.645 6.982 313 H LEU 45 H LEU 45 0.935 8.855 4.972 314 HA LEU 45 HA LEU 45 0.352 6.167 5.935 315 HB2 LEU 45 1HB LEU 45 -0.154 6.746 3.671 316 HB3 LEU 45 2HB LEU 45 1.501 7.315 3.368 317 HG LEU 45 HG LEU 45 2.366 5.044 3.522 318 HD11 LEU 45 1HD1 LEU 45 0.901 4.026 5.180 319 HD12 LEU 45 2HD1 LEU 45 0.799 3.107 3.688 320 HD13 LEU 45 3HD1 LEU 45 -0.504 4.257 4.122 321 HD21 LEU 45 3HD2 LEU 45 1.572 5.898 1.373 322 HD22 LEU 45 1HD2 LEU 45 -0.061 5.304 1.711 323 HD23 LEU 45 2HD2 LEU 45 1.287 4.152 1.495 324 H GLU 46 H GLU 46 1.761 5.359 7.412 325 HA GLU 46 HA GLU 46 4.674 5.583 6.792 326 HB2 GLU 46 1HB GLU 46 3.339 5.665 9.508 327 HB3 GLU 46 2HB GLU 46 5.077 5.746 9.169 328 HG2 GLU 46 1HG GLU 46 4.637 7.838 7.801 329 HG3 GLU 46 2HG GLU 46 2.959 7.778 8.357 330 H LYS 47 H LYS 47 2.109 3.325 7.144 331 HA LYS 47 HA LYS 47 4.056 1.092 7.450 332 HB2 LYS 47 1HB LYS 47 1.627 1.801 9.032 333 HB3 LYS 47 2HB LYS 47 1.772 0.099 8.616 334 HG2 LYS 47 1HG LYS 47 4.009 1.644 9.933 335 HG3 LYS 47 2HG LYS 47 2.696 0.896 10.863 336 HD2 LYS 47 1HD LYS 47 3.253 -1.322 9.855 337 HD3 LYS 47 2HD LYS 47 4.613 -0.614 9.016 338 HE2 LYS 47 1HE LYS 47 4.209 -1.227 11.933 339 HE3 LYS 47 2HE LYS 47 5.614 -1.545 10.922 340 HZ1 LYS 47 3HZ LYS 47 5.847 1.079 11.069 341 HZ2 LYS 47 1HZ LYS 47 6.210 0.174 12.417 342 HZ3 LYS 47 2HZ LYS 47 4.790 0.916 12.279 343 H LEU 48 H LEU 48 3.742 -0.623 6.159 344 HA LEU 48 HA LEU 48 1.196 -1.048 4.728 345 HB2 LEU 48 1HB LEU 48 2.897 0.104 3.292 346 HB3 LEU 48 2HB LEU 48 4.026 -1.206 3.596 347 HG LEU 48 HG LEU 48 1.597 -2.439 2.697 348 HD11 LEU 48 1HD1 LEU 48 2.448 -0.411 0.649 349 HD12 LEU 48 2HD1 LEU 48 1.184 -0.034 1.825 350 HD13 LEU 48 3HD1 LEU 48 0.987 -1.405 0.739 351 HD21 LEU 48 3HD2 LEU 48 3.707 -3.437 2.238 352 HD22 LEU 48 1HD2 LEU 48 4.273 -2.018 1.324 353 HD23 LEU 48 2HD2 LEU 48 2.968 -3.011 0.675 354 H ILE 49 H ILE 49 0.732 -3.302 4.612 355 HA ILE 49 HA ILE 49 2.689 -5.201 5.760 356 HB ILE 49 HB ILE 49 -0.256 -5.014 6.528 357 HG12 ILE 49 1HG1 ILE 49 1.078 -4.726 8.905 358 HG13 ILE 49 2HG1 ILE 49 2.173 -3.847 7.853 359 HG21 ILE 49 1HG2 ILE 49 0.307 -6.762 8.175 360 HG22 ILE 49 2HG2 ILE 49 0.543 -7.322 6.537 361 HG23 ILE 49 3HG2 ILE 49 1.951 -6.853 7.522 362 HD11 ILE 49 3HD1 ILE 49 0.252 -2.399 7.134 363 HD12 ILE 49 1HD1 ILE 49 -0.810 -3.320 8.218 364 HD13 ILE 49 2HD1 ILE 49 0.532 -2.363 8.880 365 H LEU 50 H LEU 50 2.412 -7.352 4.867 366 HA LEU 50 HA LEU 50 0.816 -7.457 2.342 367 HB2 LEU 50 1HB LEU 50 3.708 -8.264 2.887 368 HB3 LEU 50 2HB LEU 50 2.848 -8.605 1.400 369 HG LEU 50 HG LEU 50 3.632 -5.851 2.452 370 HD11 LEU 50 1HD1 LEU 50 5.079 -5.807 0.449 371 HD12 LEU 50 2HD1 LEU 50 4.533 -7.442 0.017 372 HD13 LEU 50 3HD1 LEU 50 5.477 -7.172 1.496 373 HD21 LEU 50 3HD2 LEU 50 1.960 -6.673 0.065 374 HD22 LEU 50 1HD2 LEU 50 2.860 -5.153 0.071 375 HD23 LEU 50 2HD2 LEU 50 1.613 -5.439 1.289 376 H THR 51 H THR 51 -0.721 -9.029 2.789 377 HA THR 51 HA THR 51 -0.061 -11.286 4.517 378 HB THR 51 HB THR 51 -2.364 -11.842 4.424 379 HG1 THR 51 1HG THR 51 -2.591 -11.673 2.237 380 HG21 THR 51 3HG2 THR 51 -1.860 -9.765 5.698 381 HG22 THR 51 1HG2 THR 51 -3.520 -9.845 5.080 382 HG23 THR 51 2HG2 THR 51 -2.323 -8.819 4.265 383 H GLY 52 H GLY 52 1.740 -11.502 2.503 384 HA2 GLY 52 1HA GLY 52 0.877 -13.906 1.000 385 HA3 GLY 52 2HA GLY 52 1.457 -12.542 0.050 386 H GLU 53 H GLU 53 2.460 -15.443 0.961 387 HA GLU 53 HA GLU 53 4.688 -14.976 2.633 388 HB2 GLU 53 1HB GLU 53 3.123 -16.697 3.068 389 HB3 GLU 53 2HB GLU 53 3.128 -17.203 1.380 390 HG2 GLU 53 1HG GLU 53 5.219 -18.186 1.504 391 HG3 GLU 53 2HG GLU 53 5.453 -17.681 3.255 392 H ASP 54 H ASP 54 4.559 -14.375 -0.627 393 HA ASP 54 HA ASP 54 7.383 -15.153 -1.018 394 HB2 ASP 54 1HB ASP 54 5.662 -16.881 -1.988 395 HB3 ASP 54 2HB ASP 54 5.290 -15.653 -3.176 396 HA PRO 55 HA PRO 55 7.140 -10.980 -2.483 397 HB2 PRO 55 1HB PRO 55 9.397 -10.798 -4.096 398 HB3 PRO 55 2HB PRO 55 9.389 -10.717 -2.314 399 HG2 PRO 55 1HG PRO 55 9.927 -13.113 -4.079 400 HG3 PRO 55 2HG PRO 55 10.842 -12.587 -2.644 401 HD2 PRO 55 1HD PRO 55 9.040 -14.567 -2.451 402 HD3 PRO 55 2HD PRO 55 9.161 -13.337 -1.166 403 H SER 56 H SER 56 7.594 -13.622 -4.842 404 HA SER 56 HA SER 56 7.133 -12.156 -7.215 405 HB2 SER 56 1HB SER 56 6.730 -14.373 -8.218 406 HB3 SER 56 2HB SER 56 8.164 -14.360 -7.167 407 HG SER 56 HG SER 56 7.089 -15.491 -5.611 408 H ALA 57 H ALA 57 4.898 -13.164 -4.791 409 HA ALA 57 HA ALA 57 2.504 -13.335 -6.331 410 HB1 ALA 57 1HB ALA 57 3.085 -14.299 -4.002 411 HB2 ALA 57 2HB ALA 57 2.747 -12.676 -3.377 412 HB3 ALA 57 3HB ALA 57 1.482 -13.607 -4.234 413 H TYR 58 H TYR 58 4.285 -10.657 -6.336 414 HA TYR 58 HA TYR 58 2.051 -8.749 -6.270 415 HB2 TYR 58 1HB TYR 58 4.675 -8.472 -4.779 416 HB3 TYR 58 2HB TYR 58 3.548 -7.162 -4.980 417 HD1 TYR 58 1HD TYR 58 4.030 -10.449 -3.254 418 HD2 TYR 58 2HD TYR 58 1.566 -6.932 -3.657 419 HE1 TYR 58 1HE TYR 58 2.897 -11.032 -1.173 420 HE2 TYR 58 2HE TYR 58 0.390 -7.527 -1.557 421 HH TYR 58 HH TYR 58 1.333 -10.370 0.389 422 H SER 59 H SER 59 3.312 -6.478 -6.892 423 HA SER 59 HA SER 59 5.418 -6.856 -8.854 424 HB2 SER 59 1HB SER 59 3.226 -7.206 -10.090 425 HB3 SER 59 2HB SER 59 2.769 -5.569 -9.617 426 HG SER 59 HG SER 59 4.489 -6.457 -11.558 427 H ALA 60 H ALA 60 5.697 -4.433 -9.818 428 HA ALA 60 HA ALA 60 4.840 -2.135 -8.402 429 HB1 ALA 60 1HB ALA 60 7.732 -2.904 -7.964 430 HB2 ALA 60 2HB ALA 60 6.948 -1.353 -7.558 431 HB3 ALA 60 3HB ALA 60 6.476 -2.829 -6.695 432 H GLY 61 H GLY 61 5.501 -0.262 -9.621 433 HA2 GLY 61 1HA GLY 61 7.112 -0.581 -12.072 434 HA3 GLY 61 2HA GLY 61 6.411 0.914 -11.403 435 H ASP 62 H ASP 62 8.743 1.543 -11.805 436 HA ASP 62 HA ASP 62 10.817 0.513 -10.021 437 HB2 ASP 62 1HB ASP 62 10.632 2.839 -11.950 438 HB3 ASP 62 2HB ASP 62 11.913 2.792 -10.735 439 H GLY 63 H GLY 63 8.880 3.571 -10.080 440 HA2 GLY 63 1HA GLY 63 9.685 4.307 -7.388 441 HA3 GLY 63 2HA GLY 63 8.551 5.147 -8.459 442 H LEU 64 H LEU 64 8.692 1.928 -6.922 443 HA LEU 64 HA LEU 64 6.052 1.240 -6.600 444 HB2 LEU 64 1HB LEU 64 7.831 -0.256 -5.964 445 HB3 LEU 64 2HB LEU 64 8.377 0.815 -4.695 446 HG LEU 64 HG LEU 64 6.515 0.398 -3.323 447 HD11 LEU 64 1HD1 LEU 64 4.721 -1.257 -3.808 448 HD12 LEU 64 2HD1 LEU 64 5.273 -1.347 -5.497 449 HD13 LEU 64 3HD1 LEU 64 4.566 0.139 -4.840 450 HD21 LEU 64 3HD2 LEU 64 6.757 -1.828 -2.689 451 HD22 LEU 64 1HD2 LEU 64 8.324 -1.406 -3.465 452 HD23 LEU 64 2HD2 LEU 64 7.128 -2.367 -4.336 453 H ARG 65 H ARG 65 7.781 3.697 -4.535 454 HA ARG 65 HA ARG 65 5.110 4.384 -3.452 455 HB2 ARG 65 1HB ARG 65 5.954 4.646 -1.179 456 HB3 ARG 65 2HB ARG 65 6.013 2.988 -1.749 457 HG2 ARG 65 1HG ARG 65 8.494 3.316 -2.209 458 HG3 ARG 65 2HG ARG 65 8.386 4.899 -1.477 459 HD2 ARG 65 1HD ARG 65 8.887 3.861 0.453 460 HD3 ARG 65 2HD ARG 65 7.214 3.293 0.487 461 HE ARG 65 HE ARG 65 9.689 1.911 -0.119 462 HH11 ARG 65 1HH1 ARG 65 6.196 1.583 -0.063 463 HH12 ARG 65 2HH1 ARG 65 6.056 0.237 -1.112 464 HH21 ARG 65 1HH2 ARG 65 9.633 -0.123 -1.325 465 HH22 ARG 65 2HH2 ARG 65 8.160 -0.992 -1.525 466 H ASP 66 H ASP 66 6.746 5.581 -5.603 467 HA ASP 66 HA ASP 66 8.037 7.883 -4.779 468 HB2 ASP 66 1HB ASP 66 7.883 7.296 -7.145 469 HB3 ASP 66 2HB ASP 66 6.131 7.670 -7.120 470 H GLY 67 H GLY 67 7.499 9.883 -4.065 471 HA2 GLY 67 1HA GLY 67 6.150 11.656 -3.415 472 HA3 GLY 67 2HA GLY 67 4.725 10.683 -3.755 473 H ALA 68 H ALA 68 6.081 8.440 -2.002 474 HA ALA 68 HA ALA 68 5.905 9.639 0.708 475 HB1 ALA 68 1HB ALA 68 4.653 6.997 -0.189 476 HB2 ALA 68 2HB ALA 68 4.653 7.649 1.466 477 HB3 ALA 68 3HB ALA 68 3.743 8.475 0.193 478 H ASP 69 H ASP 69 6.707 7.746 2.284 479 HA ASP 69 HA ASP 69 8.460 5.817 1.115 480 HB2 ASP 69 1HB ASP 69 10.049 7.699 1.027 481 HB3 ASP 69 2HB ASP 69 9.771 8.010 2.741 482 H PHE 70 H PHE 70 7.553 4.182 2.311 483 HA PHE 70 HA PHE 70 7.165 4.582 5.242 484 HB2 PHE 70 1HB PHE 70 4.962 3.489 4.968 485 HB3 PHE 70 2HB PHE 70 5.074 5.027 4.145 486 HD1 PHE 70 2HD PHE 70 5.467 1.291 3.492 487 HD2 PHE 70 1HD PHE 70 4.402 5.184 1.883 488 HE1 PHE 70 2HE PHE 70 4.561 0.235 1.483 489 HE2 PHE 70 1HE PHE 70 3.498 4.066 -0.181 490 HZ PHE 70 HZ PHE 70 3.443 1.606 -0.263 491 H LEU 71 H LEU 71 6.598 2.495 6.330 492 HA LEU 71 HA LEU 71 8.677 0.577 5.661 493 HB2 LEU 71 1HB LEU 71 8.117 1.525 7.980 494 HB3 LEU 71 2HB LEU 71 6.663 0.521 7.925 495 HG LEU 71 HG LEU 71 8.230 -1.496 7.660 496 HD11 LEU 71 1HD1 LEU 71 10.225 -0.093 6.892 497 HD12 LEU 71 2HD1 LEU 71 10.570 -1.208 8.196 498 HD13 LEU 71 3HD1 LEU 71 10.339 0.516 8.548 499 HD21 LEU 71 3HD2 LEU 71 7.152 -0.967 9.742 500 HD22 LEU 71 1HD2 LEU 71 8.378 0.260 10.146 501 HD23 LEU 71 2HD2 LEU 71 8.800 -1.461 10.093 502 H ILE 72 H ILE 72 8.404 -1.586 5.206 503 HA ILE 72 HA ILE 72 5.761 -2.638 4.440 504 HB ILE 72 HB ILE 72 8.478 -3.647 3.706 505 HG12 ILE 72 1HG1 ILE 72 6.903 -2.269 1.532 506 HG13 ILE 72 2HG1 ILE 72 7.556 -1.179 2.741 507 HG21 ILE 72 1HG2 ILE 72 5.770 -4.192 2.443 508 HG22 ILE 72 2HG2 ILE 72 7.330 -4.815 1.868 509 HG23 ILE 72 3HG2 ILE 72 6.709 -5.318 3.436 510 HD11 ILE 72 3HD1 ILE 72 9.225 -1.441 1.063 511 HD12 ILE 72 1HD1 ILE 72 9.767 -2.308 2.507 512 HD13 ILE 72 2HD1 ILE 72 9.101 -3.217 1.139 513 H CYS 73 H CYS 73 4.997 -4.532 5.438 514 HA CYS 73 HA CYS 73 6.808 -5.989 7.253 515 HB2 CYS 73 1HB CYS 73 3.846 -5.513 7.683 516 HB3 CYS 73 2HB CYS 73 4.910 -6.443 8.736 517 HG CYS 73 HG CYS 73 5.911 -4.663 9.997 518 H VAL 74 H VAL 74 6.723 -8.282 7.032 519 HA VAL 74 HA VAL 74 4.789 -9.534 5.174 520 HB VAL 74 HB VAL 74 6.660 -10.824 4.142 521 HG11 VAL 74 1HG1 VAL 74 5.853 -9.067 2.848 522 HG12 VAL 74 2HG1 VAL 74 6.733 -7.823 3.738 523 HG13 VAL 74 3HG1 VAL 74 7.607 -8.999 2.730 524 HG21 VAL 74 3HG2 VAL 74 8.556 -9.024 5.677 525 HG22 VAL 74 1HG2 VAL 74 8.384 -10.770 5.791 526 HG23 VAL 74 2HG2 VAL 74 8.997 -10.056 4.300 527 HA PRO 75 HA PRO 75 5.114 -12.612 8.460 528 HB2 PRO 75 1HB PRO 75 5.143 -15.077 7.187 529 HB3 PRO 75 2HB PRO 75 3.677 -14.095 7.393 530 HG2 PRO 75 1HG PRO 75 5.459 -14.282 4.968 531 HG3 PRO 75 2HG PRO 75 3.669 -14.326 5.031 532 HD2 PRO 75 1HD PRO 75 5.020 -12.063 4.393 533 HD3 PRO 75 2HD PRO 75 3.529 -12.001 5.356 534 H GLU 76 H GLU 76 6.872 -13.541 9.554 535 HA GLU 76 HA GLU 76 9.471 -13.260 8.807 536 HB2 GLU 76 1HB GLU 76 10.121 -14.940 10.376 537 HB3 GLU 76 2HB GLU 76 8.946 -13.810 11.045 538 HG2 GLU 76 1HG GLU 76 7.305 -15.360 11.278 539 HG3 GLU 76 2HG GLU 76 7.802 -16.361 9.940 540 H GLU 77 H GLU 77 7.410 -16.005 7.905 541 HA GLU 77 HA GLU 77 9.351 -17.820 7.102 542 HB2 GLU 77 1HB GLU 77 6.430 -17.310 6.373 543 HB3 GLU 77 2HB GLU 77 7.340 -18.701 5.795 544 HG2 GLU 77 1HG GLU 77 7.907 -19.267 8.213 545 HG3 GLU 77 2HG GLU 77 6.744 -18.023 8.689 546 H ALA 78 H ALA 78 8.045 -14.992 5.489 547 HA ALA 78 HA ALA 78 9.309 -15.682 2.852 548 HB1 ALA 78 1HB ALA 78 6.855 -14.941 3.134 549 HB2 ALA 78 2HB ALA 78 7.499 -13.340 3.588 550 HB3 ALA 78 3HB ALA 78 7.846 -14.026 1.993 551 H LEU 79 H LEU 79 10.169 -14.065 5.740 552 HA LEU 79 HA LEU 79 10.875 -11.530 4.901 553 HB2 LEU 79 1HB LEU 79 10.821 -12.271 7.237 554 HB3 LEU 79 2HB LEU 79 12.263 -13.268 6.974 555 HG LEU 79 HG LEU 79 13.590 -11.198 6.492 556 HD11 LEU 79 1HD1 LEU 79 10.995 -9.766 7.234 557 HD12 LEU 79 2HD1 LEU 79 11.845 -9.695 5.681 558 HD13 LEU 79 3HD1 LEU 79 12.593 -8.984 7.106 559 HD21 LEU 79 3HD2 LEU 79 13.553 -12.139 8.738 560 HD22 LEU 79 1HD2 LEU 79 12.077 -11.245 9.134 561 HD23 LEU 79 2HD2 LEU 79 13.603 -10.371 8.824 562 H ASP 80 H ASP 80 13.036 -14.398 4.909 563 HA ASP 80 HA ASP 80 15.319 -12.975 3.814 564 HB2 ASP 80 1HB ASP 80 15.123 -15.240 5.199 565 HB3 ASP 80 2HB ASP 80 14.931 -15.971 3.616 566 H ARG 81 H ARG 81 12.585 -14.816 2.554 567 HA ARG 81 HA ARG 81 13.438 -15.198 -0.090 568 HB2 ARG 81 1HB ARG 81 11.378 -16.105 1.325 569 HB3 ARG 81 2HB ARG 81 10.495 -14.738 0.605 570 HG2 ARG 81 1HG ARG 81 11.082 -15.498 -1.637 571 HG3 ARG 81 2HG ARG 81 12.114 -16.730 -0.945 572 HD2 ARG 81 1HD ARG 81 9.102 -16.690 -0.801 573 HD3 ARG 81 2HD ARG 81 10.095 -17.790 -1.754 574 HE ARG 81 HE ARG 81 9.262 -18.141 0.891 575 HH11 ARG 81 1HH1 ARG 81 12.233 -18.714 -1.015 576 HH12 ARG 81 2HH1 ARG 81 12.820 -19.898 0.100 577 HH21 ARG 81 1HH2 ARG 81 10.111 -19.599 2.331 578 HH22 ARG 81 2HH2 ARG 81 11.670 -20.334 2.104 579 H TYR 82 H TYR 82 11.420 -12.560 1.250 580 HA TYR 82 HA TYR 82 11.283 -10.978 -1.150 581 HB2 TYR 82 1HB TYR 82 11.018 -10.374 1.809 582 HB3 TYR 82 2HB TYR 82 11.085 -9.080 0.632 583 HD1 TYR 82 2HD TYR 82 9.141 -12.305 1.120 584 HD2 TYR 82 1HD TYR 82 9.092 -8.188 -0.166 585 HE1 TYR 82 2HE TYR 82 6.681 -12.405 0.929 586 HE2 TYR 82 1HE TYR 82 6.651 -8.289 -0.372 587 HH TYR 82 HH TYR 82 4.783 -11.204 0.668 588 H ARG 83 H ARG 83 13.692 -11.154 1.511 589 HA ARG 83 HA ARG 83 15.214 -8.926 0.480 590 HB2 ARG 83 1HB ARG 83 15.806 -11.121 2.496 591 HB3 ARG 83 2HB ARG 83 16.965 -9.886 2.069 592 HG2 ARG 83 1HG ARG 83 15.243 -8.121 2.688 593 HG3 ARG 83 2HG ARG 83 14.193 -9.414 3.272 594 HD2 ARG 83 1HD ARG 83 15.383 -8.568 5.181 595 HD3 ARG 83 2HD ARG 83 16.056 -10.149 4.802 596 HE ARG 83 HE ARG 83 18.025 -9.209 4.033 597 HH11 ARG 83 1HH1 ARG 83 15.746 -6.626 5.039 598 HH12 ARG 83 2HH1 ARG 83 16.886 -5.351 4.779 599 HH21 ARG 83 1HH2 ARG 83 19.542 -7.426 3.784 600 HH22 ARG 83 2HH2 ARG 83 19.000 -5.788 4.155 601 H ARG 84 H ARG 84 15.154 -12.277 -0.519 602 HA ARG 84 HA ARG 84 17.704 -11.918 -1.996 603 HB2 ARG 84 1HB ARG 84 15.932 -14.310 -1.349 604 HB3 ARG 84 2HB ARG 84 17.217 -14.396 -2.561 605 HG2 ARG 84 1HG ARG 84 18.867 -13.580 -0.910 606 HG3 ARG 84 2HG ARG 84 17.622 -13.614 0.350 607 HD2 ARG 84 1HD ARG 84 17.417 -15.988 0.231 608 HD3 ARG 84 2HD ARG 84 18.306 -16.064 -1.317 609 HE ARG 84 HE ARG 84 19.875 -14.851 0.756 610 HH11 ARG 84 1HH1 ARG 84 18.550 -18.025 -0.028 611 HH12 ARG 84 2HH1 ARG 84 19.680 -18.874 0.937 612 HH21 ARG 84 1HH2 ARG 84 21.686 -16.000 1.595 613 HH22 ARG 84 2HH2 ARG 84 21.624 -17.740 1.710 614 H ASP 85 H ASP 85 14.710 -10.889 -2.630 615 HA ASP 85 HA ASP 85 13.973 -11.967 -5.141 616 HB2 ASP 85 1HB ASP 85 12.594 -10.671 -3.479 617 HB3 ASP 85 2HB ASP 85 13.506 -9.219 -3.933 618 H TYR 86 H TYR 86 13.693 -10.233 -7.108 619 HA TYR 86 HA TYR 86 16.476 -9.371 -7.781 620 HB2 TYR 86 1HB TYR 86 15.246 -11.023 -9.252 621 HB3 TYR 86 2HB TYR 86 14.070 -9.767 -9.603 622 HD1 TYR 86 1HD TYR 86 17.560 -10.887 -10.113 623 HD2 TYR 86 2HD TYR 86 14.649 -7.871 -11.080 624 HE1 TYR 86 1HE TYR 86 19.025 -10.063 -11.948 625 HE2 TYR 86 2HE TYR 86 16.110 -7.017 -12.874 626 HH TYR 86 HH TYR 86 18.001 -7.500 -14.184 627 H PHE 87 H PHE 87 13.272 -8.076 -7.021 628 HA PHE 87 HA PHE 87 14.255 -5.369 -7.783 629 HB2 PHE 87 1HB PHE 87 12.238 -6.020 -8.980 630 HB3 PHE 87 2HB PHE 87 11.434 -6.416 -7.469 631 HD1 PHE 87 2HD PHE 87 13.267 -3.508 -9.097 632 HD2 PHE 87 1HD PHE 87 10.114 -4.770 -6.428 633 HE1 PHE 87 2HE PHE 87 12.540 -1.166 -8.839 634 HE2 PHE 87 1HE PHE 87 9.376 -2.413 -6.212 635 HZ PHE 87 HZ PHE 87 10.544 -0.617 -7.463 636 H TRP 88 H TRP 88 12.328 -7.128 -5.274 637 HA TRP 88 HA TRP 88 12.113 -4.923 -3.559 638 HB2 TRP 88 1HB TRP 88 11.991 -7.890 -2.956 639 HB3 TRP 88 2HB TRP 88 11.650 -6.659 -1.766 640 HD1 TRP 88 HD TRP 88 10.107 -8.319 -4.835 641 HE1 TRP 88 1HE TRP 88 7.691 -7.665 -5.075 642 HE3 TRP 88 3HE TRP 88 9.915 -4.754 -1.153 643 HZ2 TRP 88 2HZ TRP 88 5.883 -5.671 -3.929 644 HZ3 TRP 88 3HZ TRP 88 7.768 -3.589 -0.670 645 HH2 TRP 88 HH TRP 88 5.755 -4.038 -2.050 646 H GLN 89 H GLN 89 14.990 -6.794 -4.027 647 HA GLN 89 HA GLN 89 16.484 -6.422 -1.740 648 HB2 GLN 89 1HB GLN 89 17.159 -6.277 -4.692 649 HB3 GLN 89 2HB GLN 89 18.405 -6.066 -3.431 650 HG2 GLN 89 1HG GLN 89 17.633 -8.205 -2.399 651 HG3 GLN 89 2HG GLN 89 16.567 -8.464 -3.764 652 HE21 GLN 89 1HE2 GLN 89 18.570 -7.412 -5.817 653 HE22 GLN 89 2HE2 GLN 89 19.847 -8.580 -5.882 654 H THR 90 H THR 90 15.757 -3.658 -4.139 655 HA THR 90 HA THR 90 17.705 -2.011 -2.898 656 HB THR 90 HB THR 90 16.007 -0.343 -4.170 657 HG1 THR 90 1HG THR 90 14.980 -1.334 -5.838 658 HG21 THR 90 3HG2 THR 90 18.295 -0.859 -4.888 659 HG22 THR 90 1HG2 THR 90 17.221 -0.955 -6.292 660 HG23 THR 90 2HG2 THR 90 17.788 -2.452 -5.494 661 H TYR 91 H TYR 91 14.237 -2.493 -2.647 662 HA TYR 91 HA TYR 91 13.777 -0.565 -0.556 663 HB2 TYR 91 1HB TYR 91 12.085 -2.768 -1.808 664 HB3 TYR 91 2HB TYR 91 11.481 -1.618 -0.611 665 HD1 TYR 91 1HD TYR 91 12.662 -1.954 -4.148 666 HD2 TYR 91 2HD TYR 91 11.305 0.777 -1.092 667 HE1 TYR 91 1HE TYR 91 12.413 -0.217 -5.840 668 HE2 TYR 91 2HE TYR 91 10.809 2.477 -2.831 669 HH TYR 91 HH TYR 91 11.244 1.886 -6.328 670 H ALA 92 H ALA 92 15.561 -3.307 -0.182 671 HA ALA 92 HA ALA 92 14.127 -4.807 1.750 672 HB1 ALA 92 1HB ALA 92 17.130 -4.604 1.341 673 HB2 ALA 92 2HB ALA 92 16.262 -5.900 2.185 674 HB3 ALA 92 3HB ALA 92 16.033 -5.696 0.447 675 H ALA 93 H ALA 93 15.847 -1.816 1.991 676 HA ALA 93 HA ALA 93 16.488 -1.867 4.715 677 HB1 ALA 93 1HB ALA 93 17.292 -0.225 2.945 678 HB2 ALA 93 2HB ALA 93 15.751 0.617 3.154 679 HB3 ALA 93 3HB ALA 93 16.854 0.466 4.527 680 H TRP 94 H TRP 94 13.363 -1.809 3.299 681 HA TRP 94 HA TRP 94 12.156 -0.785 5.822 682 HB2 TRP 94 1HB TRP 94 11.168 -0.635 2.962 683 HB3 TRP 94 2HB TRP 94 10.196 -0.203 4.357 684 HD1 TRP 94 HD TRP 94 10.644 2.170 5.472 685 HE1 TRP 94 1HE TRP 94 12.005 4.213 4.738 686 HE3 TRP 94 3HE TRP 94 13.180 0.119 1.561 687 HZ2 TRP 94 2HZ TRP 94 14.301 4.707 3.045 688 HZ3 TRP 94 3HZ TRP 94 14.912 1.431 0.323 689 HH2 TRP 94 HH TRP 94 15.488 3.718 1.076 690 H ILE 95 H ILE 95 12.939 -3.687 4.492 691 HA ILE 95 HA ILE 95 10.239 -4.889 4.678 692 HB ILE 95 HB ILE 95 12.858 -5.905 3.540 693 HG12 ILE 95 1HG1 ILE 95 10.195 -5.131 2.250 694 HG13 ILE 95 2HG1 ILE 95 11.657 -4.165 2.230 695 HG21 ILE 95 1HG2 ILE 95 11.770 -7.912 2.806 696 HG22 ILE 95 2HG2 ILE 95 11.429 -7.780 4.526 697 HG23 ILE 95 3HG2 ILE 95 10.182 -7.341 3.351 698 HD11 ILE 95 3HD1 ILE 95 12.747 -6.256 1.057 699 HD12 ILE 95 1HD1 ILE 95 11.058 -6.679 0.706 700 HD13 ILE 95 2HD1 ILE 95 11.732 -5.126 0.154 701 H GLN 96 H GLN 96 9.752 -5.216 6.779 702 HA GLN 96 HA GLN 96 11.602 -6.943 8.332 703 HB2 GLN 96 1HB GLN 96 10.254 -5.781 10.329 704 HB3 GLN 96 2HB GLN 96 11.856 -5.324 9.809 705 HG2 GLN 96 1HG GLN 96 10.689 -3.489 8.437 706 HG3 GLN 96 2HG GLN 96 9.222 -3.903 9.348 707 HE21 GLN 96 1HE2 GLN 96 10.259 -4.373 11.978 708 HE22 GLN 96 2HE2 GLN 96 10.884 -2.836 12.533 709 HA PRO 97 HA PRO 97 8.313 -9.746 8.812 710 HB2 PRO 97 1HB PRO 97 8.556 -10.749 11.367 711 HB3 PRO 97 2HB PRO 97 9.716 -11.095 10.037 712 HG2 PRO 97 1HG PRO 97 9.914 -8.961 12.189 713 HG3 PRO 97 2HG PRO 97 11.154 -10.167 11.701 714 HD2 PRO 97 1HD PRO 97 11.218 -7.665 10.740 715 HD3 PRO 97 2HD PRO 97 11.584 -9.032 9.676 716 H MET 98 H MET 98 6.372 -10.310 10.026 717 HA MET 98 HA MET 98 4.864 -8.078 11.191 718 HB2 MET 98 1HB MET 98 4.231 -10.916 10.274 719 HB3 MET 98 2HB MET 98 3.074 -9.997 11.219 720 HG2 MET 98 1HG MET 98 3.444 -8.092 9.524 721 HG3 MET 98 2HG MET 98 4.178 -9.326 8.495 722 HE1 MET 98 3HE MET 98 2.737 -10.591 6.755 723 HE2 MET 98 1HE MET 98 2.726 -11.727 8.131 724 HE3 MET 98 2HE MET 98 1.230 -11.394 7.233 725 H GLU 99 H GLU 99 3.390 -8.719 13.109 726 HA GLU 99 HA GLU 99 4.843 -9.960 15.361 727 HB2 GLU 99 1HB GLU 99 3.070 -7.679 15.064 728 HB3 GLU 99 2HB GLU 99 2.180 -8.894 15.954 729 HG2 GLU 99 1HG GLU 99 4.992 -8.032 16.716 730 HG3 GLU 99 2HG GLU 99 3.540 -7.179 17.251 731 H GLN 100 H GLN 100 3.118 -11.227 16.718 732 HA GLN 100 HA GLN 100 1.509 -12.960 14.930 733 HB2 GLN 100 1HB GLN 100 2.326 -14.926 16.139 734 HB3 GLN 100 2HB GLN 100 3.627 -14.107 15.288 735 HG2 GLN 100 1HG GLN 100 4.766 -13.590 17.217 736 HG3 GLN 100 2HG GLN 100 3.300 -13.238 18.128 737 HE21 GLN 100 1HE2 GLN 100 4.732 -16.150 16.541 738 HE22 GLN 100 2HE2 GLN 100 4.096 -17.282 17.717 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -13.844 17.048 -7.134 2 HA2 GLY 1 1HA GLY 1 -13.950 14.709 -7.695 3 HA3 GLY 1 2HA GLY 1 -13.193 14.344 -6.133 4 H SER 2 H SER 2 -15.403 12.941 -6.558 5 HA SER 2 HA SER 2 -17.075 13.792 -4.372 6 HB2 SER 2 1HB SER 2 -18.135 14.961 -6.376 7 HB3 SER 2 2HB SER 2 -18.424 13.358 -7.075 8 HG SER 2 HG SER 2 -20.222 13.755 -5.962 9 H HIS 3 H HIS 3 -18.037 11.952 -3.477 10 HA HIS 3 HA HIS 3 -17.923 9.863 -2.719 11 HB2 HIS 3 1HB HIS 3 -19.810 9.663 -4.264 12 HB3 HIS 3 2HB HIS 3 -18.717 9.133 -5.544 13 HD1 HIS 3 1HD HIS 3 -20.448 6.936 -5.449 14 HD2 HIS 3 2HD HIS 3 -17.739 7.513 -2.279 15 HE1 HIS 3 1HE HIS 3 -20.282 4.706 -4.208 16 H GLU 4 H GLU 4 -15.652 9.995 -2.267 17 HA GLU 4 HA GLU 4 -14.353 7.681 -3.449 18 HB2 GLU 4 1HB GLU 4 -13.637 10.182 -4.491 19 HB3 GLU 4 2HB GLU 4 -12.422 9.915 -3.236 20 HG2 GLU 4 1HG GLU 4 -12.125 7.559 -4.262 21 HG3 GLU 4 2HG GLU 4 -13.139 8.107 -5.592 22 H GLY 5 H GLY 5 -11.851 7.910 -2.011 23 HA2 GLY 5 1HA GLY 5 -10.974 8.512 0.067 24 HA3 GLY 5 2HA GLY 5 -12.583 8.881 0.673 25 H GLU 6 H GLU 6 -12.086 5.804 -0.939 26 HA GLU 6 HA GLU 6 -11.697 4.478 1.684 27 HB2 GLU 6 1HB GLU 6 -12.643 2.443 0.771 28 HB3 GLU 6 2HB GLU 6 -13.767 3.776 1.041 29 HG2 GLU 6 1HG GLU 6 -13.794 4.270 -1.397 30 HG3 GLU 6 2HG GLU 6 -12.776 2.872 -1.681 31 HA PRO 7 HA PRO 7 -7.845 4.097 -0.827 32 HB2 PRO 7 1HB PRO 7 -6.069 4.749 1.110 33 HB3 PRO 7 2HB PRO 7 -7.066 6.018 0.342 34 HG2 PRO 7 1HG PRO 7 -7.787 4.516 2.910 35 HG3 PRO 7 2HG PRO 7 -7.563 6.277 2.727 36 HD2 PRO 7 1HD PRO 7 -9.954 5.148 2.542 37 HD3 PRO 7 2HD PRO 7 -9.491 6.400 1.333 38 H VAL 8 H VAL 8 -9.075 1.885 -0.511 39 HA VAL 8 HA VAL 8 -7.678 0.188 1.525 40 HB VAL 8 HB VAL 8 -10.015 0.806 2.039 41 HG11 VAL 8 1HG1 VAL 8 -10.963 0.813 -0.281 42 HG12 VAL 8 2HG1 VAL 8 -10.827 -0.951 -0.311 43 HG13 VAL 8 3HG1 VAL 8 -11.900 -0.161 0.860 44 HG21 VAL 8 3HG2 VAL 8 -8.974 -1.266 2.924 45 HG22 VAL 8 1HG2 VAL 8 -10.744 -1.402 2.721 46 HG23 VAL 8 2HG2 VAL 8 -9.660 -2.168 1.563 47 H VAL 9 H VAL 9 -7.330 -2.073 1.004 48 HA VAL 9 HA VAL 9 -6.817 -2.402 -1.880 49 HB VAL 9 HB VAL 9 -5.701 -4.191 0.285 50 HG11 VAL 9 1HG1 VAL 9 -4.540 -3.441 -2.393 51 HG12 VAL 9 2HG1 VAL 9 -4.286 -4.914 -1.416 52 HG13 VAL 9 3HG1 VAL 9 -5.782 -4.680 -2.286 53 HG21 VAL 9 3HG2 VAL 9 -3.735 -2.914 0.389 54 HG22 VAL 9 1HG2 VAL 9 -4.271 -1.757 -0.826 55 HG23 VAL 9 2HG2 VAL 9 -5.015 -1.808 0.789 56 H GLY 10 H GLY 10 -9.245 -2.368 -1.828 57 HA2 GLY 10 1HA GLY 10 -10.660 -4.848 -1.377 58 HA3 GLY 10 2HA GLY 10 -11.166 -3.481 -2.393 59 H MET 11 H MET 11 -10.266 -3.334 -4.570 60 HA MET 11 HA MET 11 -8.842 -5.728 -5.571 61 HB2 MET 11 1HB MET 11 -11.432 -4.745 -6.805 62 HB3 MET 11 2HB MET 11 -10.371 -5.999 -7.453 63 HG2 MET 11 1HG MET 11 -10.692 -7.221 -5.198 64 HG3 MET 11 2HG MET 11 -12.004 -6.087 -4.902 65 HE1 MET 11 3HE MET 11 -10.765 -9.289 -6.513 66 HE2 MET 11 1HE MET 11 -11.880 -9.602 -7.858 67 HE3 MET 11 2HE MET 11 -10.695 -8.281 -7.974 68 H ASP 12 H ASP 12 -9.733 -2.301 -6.216 69 HA ASP 12 HA ASP 12 -8.077 -2.375 -8.670 70 HB2 ASP 12 1HB ASP 12 -10.410 -1.219 -8.452 71 HB3 ASP 12 2HB ASP 12 -9.575 0.031 -7.584 72 H LYS 13 H LYS 13 -6.138 -1.352 -8.855 73 HA LYS 13 HA LYS 13 -5.099 0.285 -6.582 74 HB2 LYS 13 1HB LYS 13 -3.597 -1.278 -8.710 75 HB3 LYS 13 2HB LYS 13 -2.870 0.080 -7.831 76 HG2 LYS 13 1HG LYS 13 -3.654 -1.001 -5.665 77 HG3 LYS 13 2HG LYS 13 -4.085 -2.423 -6.617 78 HD2 LYS 13 1HD LYS 13 -1.622 -2.403 -7.379 79 HD3 LYS 13 2HD LYS 13 -1.335 -1.268 -6.065 80 HE2 LYS 13 1HE LYS 13 -2.394 -4.134 -5.946 81 HE3 LYS 13 2HE LYS 13 -0.893 -3.519 -5.248 82 HZ1 LYS 13 3HZ LYS 13 -2.342 -2.174 -3.763 83 HZ2 LYS 13 1HZ LYS 13 -2.525 -3.815 -3.598 84 HZ3 LYS 13 2HZ LYS 13 -3.658 -2.940 -4.405 85 H SER 14 H SER 14 -6.197 2.059 -6.935 86 HA SER 14 HA SER 14 -5.088 3.877 -8.856 87 HB2 SER 14 1HB SER 14 -7.081 2.453 -9.984 88 HB3 SER 14 2HB SER 14 -8.080 3.595 -9.106 89 HG SER 14 HG SER 14 -6.930 5.287 -10.200 90 H LEU 15 H LEU 15 -7.942 3.334 -6.785 91 HA LEU 15 HA LEU 15 -8.332 5.900 -5.921 92 HB2 LEU 15 1HB LEU 15 -9.835 4.811 -4.198 93 HB3 LEU 15 2HB LEU 15 -10.133 4.548 -5.901 94 HG LEU 15 HG LEU 15 -9.190 2.307 -5.816 95 HD11 LEU 15 1HD1 LEU 15 -8.622 2.909 -2.903 96 HD12 LEU 15 2HD1 LEU 15 -7.436 2.682 -4.193 97 HD13 LEU 15 3HD1 LEU 15 -8.444 1.315 -3.690 98 HD21 LEU 15 3HD2 LEU 15 -11.539 2.544 -5.275 99 HD22 LEU 15 1HD2 LEU 15 -11.152 2.824 -3.557 100 HD23 LEU 15 2HD2 LEU 15 -10.837 1.252 -4.312 101 H PHE 16 H PHE 16 -5.484 4.846 -5.100 102 HA PHE 16 HA PHE 16 -5.597 5.223 -2.154 103 HB2 PHE 16 1HB PHE 16 -3.291 4.386 -3.946 104 HB3 PHE 16 2HB PHE 16 -3.237 4.542 -2.206 105 HD1 PHE 16 2HD PHE 16 -4.940 2.601 -4.924 106 HD2 PHE 16 1HD PHE 16 -3.824 2.870 -0.786 107 HE1 PHE 16 2HE PHE 16 -5.671 0.242 -4.567 108 HE2 PHE 16 1HE PHE 16 -4.535 0.516 -0.442 109 HZ PHE 16 HZ PHE 16 -5.487 -0.789 -2.365 110 H ALA 17 H ALA 17 -5.301 7.332 -4.775 111 HA ALA 17 HA ALA 17 -3.438 9.107 -3.266 112 HB1 ALA 17 1HB ALA 17 -4.290 9.159 -6.195 113 HB2 ALA 17 2HB ALA 17 -3.205 10.323 -5.406 114 HB3 ALA 17 3HB ALA 17 -2.720 8.621 -5.557 115 H GLY 18 H GLY 18 -5.009 9.669 -1.698 116 HA2 GLY 18 1HA GLY 18 -5.951 12.226 -2.253 117 HA3 GLY 18 2HA GLY 18 -7.364 11.185 -2.351 118 H ASN 19 H ASN 19 -6.208 9.316 -0.019 119 HA ASN 19 HA ASN 19 -7.259 11.172 2.050 120 HB2 ASN 19 1HB ASN 19 -8.351 9.030 1.795 121 HB3 ASN 19 2HB ASN 19 -6.813 8.199 2.046 122 HD21 ASN 19 1HD2 ASN 19 -6.028 7.951 4.108 123 HD22 ASN 19 2HD2 ASN 19 -7.065 8.199 5.510 124 H THR 20 H THR 20 -5.609 12.475 2.724 125 HA THR 20 HA THR 20 -2.886 11.867 2.998 126 HB THR 20 HB THR 20 -3.156 14.162 4.265 127 HG1 THR 20 1HG THR 20 -5.153 15.114 4.069 128 HG21 THR 20 3HG2 THR 20 -4.218 13.847 1.423 129 HG22 THR 20 1HG2 THR 20 -2.512 13.985 1.891 130 HG23 THR 20 2HG2 THR 20 -3.606 15.333 2.149 131 H VAL 21 H VAL 21 -4.691 10.020 4.701 132 HA VAL 21 HA VAL 21 -3.655 10.636 7.424 133 HB VAL 21 HB VAL 21 -6.583 10.023 6.995 134 HG11 VAL 21 1HG1 VAL 21 -6.866 11.235 9.078 135 HG12 VAL 21 2HG1 VAL 21 -5.597 10.042 9.325 136 HG13 VAL 21 3HG1 VAL 21 -5.165 11.744 9.074 137 HG21 VAL 21 3HG2 VAL 21 -5.412 12.837 6.824 138 HG22 VAL 21 1HG2 VAL 21 -6.358 11.994 5.570 139 HG23 VAL 21 2HG2 VAL 21 -7.122 12.451 7.074 140 H ILE 22 H ILE 22 -3.552 8.252 5.202 141 HA ILE 22 HA ILE 22 -4.685 6.073 6.831 142 HB ILE 22 HB ILE 22 -5.515 5.984 4.669 143 HG12 ILE 22 1HG1 ILE 22 -3.225 3.980 4.752 144 HG13 ILE 22 2HG1 ILE 22 -4.681 3.873 5.747 145 HG21 ILE 22 1HG2 ILE 22 -3.725 7.417 3.510 146 HG22 ILE 22 2HG2 ILE 22 -2.788 5.923 3.346 147 HG23 ILE 22 3HG2 ILE 22 -4.393 6.086 2.608 148 HD11 ILE 22 3HD1 ILE 22 -4.939 2.483 3.759 149 HD12 ILE 22 1HD1 ILE 22 -6.070 3.824 3.754 150 HD13 ILE 22 2HD1 ILE 22 -4.650 3.887 2.689 151 H ARG 23 H ARG 23 -3.261 5.594 8.375 152 HA ARG 23 HA ARG 23 -0.375 5.781 7.849 153 HB2 ARG 23 1HB ARG 23 -1.871 4.890 10.334 154 HB3 ARG 23 2HB ARG 23 -0.133 5.154 10.219 155 HG2 ARG 23 1HG ARG 23 -0.447 7.498 9.702 156 HG3 ARG 23 2HG ARG 23 -2.203 7.322 9.632 157 HD2 ARG 23 1HD ARG 23 -2.161 6.673 12.047 158 HD3 ARG 23 2HD ARG 23 -0.456 7.116 12.099 159 HE ARG 23 HE ARG 23 -2.766 8.874 11.971 160 HH11 ARG 23 1HH1 ARG 23 0.734 8.694 11.310 161 HH12 ARG 23 2HH1 ARG 23 0.943 10.353 10.974 162 HH21 ARG 23 1HH2 ARG 23 -2.484 11.148 11.884 163 HH22 ARG 23 2HH2 ARG 23 -0.919 11.821 11.569 164 H GLU 24 H GLU 24 -2.701 3.346 7.330 165 HA GLU 24 HA GLU 24 -0.592 1.250 7.340 166 HB2 GLU 24 1HB GLU 24 -3.211 1.177 8.915 167 HB3 GLU 24 2HB GLU 24 -2.509 -0.303 8.275 168 HG2 GLU 24 1HG GLU 24 -0.370 0.911 9.603 169 HG3 GLU 24 2HG GLU 24 -1.721 1.234 10.630 170 H ILE 25 H ILE 25 -0.690 0.049 5.555 171 HA ILE 25 HA ILE 25 -3.281 -0.184 4.086 172 HB ILE 25 HB ILE 25 -0.570 0.343 2.830 173 HG12 ILE 25 1HG1 ILE 25 -3.051 2.090 2.738 174 HG13 ILE 25 2HG1 ILE 25 -1.751 2.337 3.899 175 HG21 ILE 25 1HG2 ILE 25 -1.783 0.319 0.687 176 HG22 ILE 25 2HG2 ILE 25 -2.125 -1.187 1.537 177 HG23 ILE 25 3HG2 ILE 25 -3.336 0.098 1.534 178 HD11 ILE 25 3HD1 ILE 25 -1.593 2.591 0.877 179 HD12 ILE 25 1HD1 ILE 25 -1.368 3.851 2.101 180 HD13 ILE 25 2HD1 ILE 25 -0.168 2.545 1.939 181 H THR 26 H THR 26 -3.683 -2.192 4.811 182 HA THR 26 HA THR 26 -1.724 -4.383 4.559 183 HB THR 26 HB THR 26 -4.740 -4.547 5.002 184 HG1 THR 26 1HG THR 26 -3.824 -3.369 6.657 185 HG21 THR 26 3HG2 THR 26 -3.905 -6.715 4.338 186 HG22 THR 26 1HG2 THR 26 -3.974 -6.759 6.105 187 HG23 THR 26 2HG2 THR 26 -2.423 -6.516 5.286 188 H VAL 27 H VAL 27 -1.183 -5.190 2.542 189 HA VAL 27 HA VAL 27 -3.162 -5.052 0.352 190 HB VAL 27 HB VAL 27 -0.151 -5.257 0.006 191 HG11 VAL 27 1HG1 VAL 27 -0.592 -4.312 -2.173 192 HG12 VAL 27 2HG1 VAL 27 -1.697 -5.678 -1.941 193 HG13 VAL 27 3HG1 VAL 27 -2.296 -4.015 -1.737 194 HG21 VAL 27 3HG2 VAL 27 -0.494 -3.159 1.282 195 HG22 VAL 27 1HG2 VAL 27 0.004 -2.876 -0.389 196 HG23 VAL 27 2HG2 VAL 27 -1.698 -2.659 0.058 197 H GLN 28 H GLN 28 -3.889 -6.973 -0.433 198 HA GLN 28 HA GLN 28 -2.454 -9.404 0.218 199 HB2 GLN 28 1HB GLN 28 -4.453 -10.286 -1.398 200 HB3 GLN 28 2HB GLN 28 -4.539 -10.107 0.349 201 HG2 GLN 28 1HG GLN 28 -5.649 -7.943 0.054 202 HG3 GLN 28 2HG GLN 28 -5.540 -8.152 -1.715 203 HE21 GLN 28 1HE2 GLN 28 -6.825 -9.644 1.312 204 HE22 GLN 28 2HE2 GLN 28 -7.985 -10.690 0.535 205 HA PRO 29 HA PRO 29 -0.336 -9.941 -3.582 206 HB2 PRO 29 1HB PRO 29 -0.468 -12.622 -4.066 207 HB3 PRO 29 2HB PRO 29 0.501 -11.925 -2.731 208 HG2 PRO 29 1HG PRO 29 -2.209 -13.242 -2.631 209 HG3 PRO 29 2HG PRO 29 -0.865 -13.408 -1.481 210 HD2 PRO 29 1HD PRO 29 -3.052 -11.761 -1.160 211 HD3 PRO 29 2HD PRO 29 -1.522 -11.411 -0.357 212 H ASN 30 H ASN 30 -0.647 -10.580 -5.822 213 HA ASN 30 HA ASN 30 -1.815 -10.230 -7.761 214 HB2 ASN 30 1HB ASN 30 -3.738 -12.283 -6.703 215 HB3 ASN 30 2HB ASN 30 -3.345 -11.916 -8.369 216 HD21 ASN 30 1HD2 ASN 30 -2.434 -13.764 -5.568 217 HD22 ASN 30 2HD2 ASN 30 -0.996 -14.487 -6.291 218 H ILE 31 H ILE 31 -2.442 -8.041 -6.353 219 HA ILE 31 HA ILE 31 -5.345 -7.671 -6.787 220 HB ILE 31 HB ILE 31 -4.790 -8.318 -4.375 221 HG12 ILE 31 1HG1 ILE 31 -6.407 -6.315 -3.611 222 HG13 ILE 31 2HG1 ILE 31 -6.557 -6.072 -5.347 223 HG21 ILE 31 1HG2 ILE 31 -4.057 -5.416 -4.084 224 HG22 ILE 31 2HG2 ILE 31 -3.980 -6.734 -2.881 225 HG23 ILE 31 3HG2 ILE 31 -2.861 -6.716 -4.254 226 HD11 ILE 31 3HD1 ILE 31 -7.343 -8.419 -3.669 227 HD12 ILE 31 1HD1 ILE 31 -8.249 -7.659 -4.981 228 HD13 ILE 31 2HD1 ILE 31 -6.887 -8.731 -5.340 229 H GLY 32 H GLY 32 -2.800 -6.775 -8.183 230 HA2 GLY 32 1HA GLY 32 -3.523 -5.008 -9.758 231 HA3 GLY 32 2HA GLY 32 -3.590 -3.888 -8.391 232 H LEU 33 H LEU 33 -2.025 -3.397 -10.665 233 HA LEU 33 HA LEU 33 0.751 -4.102 -10.125 234 HB2 LEU 33 1HB LEU 33 -0.101 -3.469 -12.435 235 HB3 LEU 33 2HB LEU 33 -0.308 -1.829 -11.829 236 HG LEU 33 HG LEU 33 2.270 -2.075 -11.103 237 HD11 LEU 33 1HD1 LEU 33 2.295 -4.529 -11.691 238 HD12 LEU 33 2HD1 LEU 33 3.532 -3.580 -12.532 239 HD13 LEU 33 3HD1 LEU 33 2.050 -4.085 -13.379 240 HD21 LEU 33 3HD2 LEU 33 1.813 -1.874 -14.094 241 HD22 LEU 33 1HD2 LEU 33 2.942 -0.992 -13.043 242 HD23 LEU 33 2HD2 LEU 33 1.205 -0.626 -12.987 243 H LEU 34 H LEU 34 2.113 -3.033 -8.779 244 HA LEU 34 HA LEU 34 1.334 -0.498 -7.443 245 HB2 LEU 34 1HB LEU 34 3.495 -2.595 -7.091 246 HB3 LEU 34 2HB LEU 34 3.621 -1.016 -6.322 247 HG LEU 34 HG LEU 34 1.183 -2.786 -5.896 248 HD11 LEU 34 1HD1 LEU 34 2.361 -3.538 -3.764 249 HD12 LEU 34 2HD1 LEU 34 3.880 -2.940 -4.523 250 HD13 LEU 34 3HD1 LEU 34 2.941 -4.221 -5.281 251 HD21 LEU 34 3HD2 LEU 34 1.024 -0.422 -5.172 252 HD22 LEU 34 1HD2 LEU 34 2.500 -0.615 -4.224 253 HD23 LEU 34 2HD2 LEU 34 1.034 -1.520 -3.768 254 H TYR 35 H TYR 35 1.444 0.818 -9.330 255 HA TYR 35 HA TYR 35 3.847 0.751 -11.019 256 HB2 TYR 35 1HB TYR 35 2.639 2.834 -12.061 257 HB3 TYR 35 2HB TYR 35 2.138 1.230 -12.390 258 HD1 TYR 35 2HD TYR 35 0.100 0.259 -11.084 259 HD2 TYR 35 1HD TYR 35 0.956 4.478 -11.339 260 HE1 TYR 35 2HE TYR 35 -2.240 0.788 -10.473 261 HE2 TYR 35 1HE TYR 35 -1.331 4.991 -10.706 262 HH TYR 35 HH TYR 35 -3.819 2.503 -10.189 263 H ASP 36 H ASP 36 4.266 3.537 -11.400 264 HA ASP 36 HA ASP 36 5.433 4.462 -8.879 265 HB2 ASP 36 1HB ASP 36 6.280 6.278 -10.184 266 HB3 ASP 36 2HB ASP 36 6.666 4.781 -11.025 267 H GLY 37 H GLY 37 4.647 6.311 -7.816 268 HA2 GLY 37 1HA GLY 37 3.399 8.163 -7.437 269 HA3 GLY 37 2HA GLY 37 2.668 7.971 -9.019 270 H MET 38 H MET 38 1.911 5.087 -7.402 271 HA MET 38 HA MET 38 -0.760 5.537 -7.244 272 HB2 MET 38 1HB MET 38 1.095 3.517 -6.167 273 HB3 MET 38 2HB MET 38 -0.243 3.732 -5.084 274 HG2 MET 38 1HG MET 38 -0.999 3.474 -7.952 275 HG3 MET 38 2HG MET 38 -0.236 2.075 -7.224 276 HE1 MET 38 3HE MET 38 -0.955 0.963 -5.106 277 HE2 MET 38 1HE MET 38 -1.659 2.230 -4.073 278 HE3 MET 38 2HE MET 38 -2.637 0.838 -4.533 279 H PHE 39 H PHE 39 1.754 6.197 -4.862 280 HA PHE 39 HA PHE 39 -0.165 6.951 -2.733 281 HB2 PHE 39 1HB PHE 39 2.785 6.295 -2.457 282 HB3 PHE 39 2HB PHE 39 1.621 6.483 -1.158 283 HD1 PHE 39 1HD PHE 39 -0.574 4.895 -1.414 284 HD2 PHE 39 2HD PHE 39 3.333 4.108 -3.070 285 HE1 PHE 39 1HE PHE 39 -1.191 2.524 -1.733 286 HE2 PHE 39 2HE PHE 39 2.703 1.774 -3.469 287 HZ PHE 39 HZ PHE 39 0.417 0.949 -2.816 288 H SER 40 H SER 40 0.866 8.597 -5.098 289 HA SER 40 HA SER 40 2.352 10.827 -4.051 290 HB2 SER 40 1HB SER 40 1.988 10.274 -6.483 291 HB3 SER 40 2HB SER 40 0.280 10.714 -6.287 292 HG SER 40 HG SER 40 1.578 12.398 -7.122 293 H GLY 41 H GLY 41 1.672 11.761 -2.210 294 HA2 GLY 41 1HA GLY 41 0.222 13.402 -1.247 295 HA3 GLY 41 2HA GLY 41 -1.162 12.654 -2.010 296 H CYS 42 H CYS 42 0.730 10.104 -0.720 297 HA CYS 42 HA CYS 42 -1.084 9.874 1.589 298 HB2 CYS 42 1HB CYS 42 1.238 8.118 0.706 299 HB3 CYS 42 2HB CYS 42 0.062 7.754 1.974 300 HG CYS 42 HG CYS 42 -2.076 8.106 0.341 301 H THR 43 H THR 43 -0.212 12.075 2.323 302 HA THR 43 HA THR 43 2.414 12.465 3.219 303 HB THR 43 HB THR 43 1.320 14.465 4.304 304 HG1 THR 43 1HG THR 43 -0.903 14.717 3.884 305 HG21 THR 43 3HG2 THR 43 1.927 14.397 1.817 306 HG22 THR 43 1HG2 THR 43 0.687 15.560 2.285 307 HG23 THR 43 2HG2 THR 43 0.226 14.047 1.488 308 H ALA 44 H ALA 44 0.150 10.399 4.680 309 HA ALA 44 HA ALA 44 1.590 10.533 7.270 310 HB1 ALA 44 1HB ALA 44 -1.419 10.262 6.924 311 HB2 ALA 44 2HB ALA 44 -0.529 10.224 8.458 312 HB3 ALA 44 3HB ALA 44 -0.576 11.717 7.506 313 H LEU 45 H LEU 45 1.856 8.743 4.835 314 HA LEU 45 HA LEU 45 0.811 6.159 5.731 315 HB2 LEU 45 1HB LEU 45 1.656 7.062 3.337 316 HB3 LEU 45 2HB LEU 45 3.158 6.413 3.879 317 HG LEU 45 HG LEU 45 0.557 5.033 3.793 318 HD11 LEU 45 1HD1 LEU 45 0.824 5.424 1.557 319 HD12 LEU 45 2HD1 LEU 45 1.592 3.821 1.697 320 HD13 LEU 45 3HD1 LEU 45 2.575 5.291 1.683 321 HD21 LEU 45 3HD2 LEU 45 2.340 2.942 3.709 322 HD22 LEU 45 1HD2 LEU 45 0.715 3.110 4.322 323 HD23 LEU 45 2HD2 LEU 45 2.005 3.756 5.290 324 H GLU 46 H GLU 46 1.852 4.801 7.188 325 HA GLU 46 HA GLU 46 4.680 5.419 7.859 326 HB2 GLU 46 1HB GLU 46 2.491 4.994 9.922 327 HB3 GLU 46 2HB GLU 46 4.217 5.259 10.241 328 HG2 GLU 46 1HG GLU 46 4.011 7.483 9.018 329 HG3 GLU 46 2HG GLU 46 2.252 7.223 8.986 330 H LYS 47 H LYS 47 2.081 3.023 7.532 331 HA LYS 47 HA LYS 47 4.029 0.819 7.738 332 HB2 LYS 47 1HB LYS 47 1.635 1.529 9.377 333 HB3 LYS 47 2HB LYS 47 1.487 -0.046 8.688 334 HG2 LYS 47 1HG LYS 47 3.871 0.735 10.395 335 HG3 LYS 47 2HG LYS 47 2.313 0.208 11.034 336 HD2 LYS 47 1HD LYS 47 2.763 -1.813 9.219 337 HD3 LYS 47 2HD LYS 47 4.412 -1.348 9.632 338 HE2 LYS 47 1HE LYS 47 4.075 -2.780 11.375 339 HE3 LYS 47 2HE LYS 47 3.391 -1.334 12.117 340 HZ1 LYS 47 3HZ LYS 47 1.186 -2.188 11.133 341 HZ2 LYS 47 1HZ LYS 47 1.804 -3.010 12.435 342 HZ3 LYS 47 2HZ LYS 47 1.952 -3.628 10.954 343 H LEU 48 H LEU 48 3.414 -1.063 6.609 344 HA LEU 48 HA LEU 48 0.977 -1.209 5.034 345 HB2 LEU 48 1HB LEU 48 2.495 -0.031 3.522 346 HB3 LEU 48 2HB LEU 48 3.815 -1.080 3.933 347 HG LEU 48 HG LEU 48 1.650 -2.732 2.852 348 HD11 LEU 48 1HD1 LEU 48 0.919 -0.743 1.629 349 HD12 LEU 48 2HD1 LEU 48 1.749 -1.869 0.543 350 HD13 LEU 48 3HD1 LEU 48 2.596 -0.433 1.138 351 HD21 LEU 48 3HD2 LEU 48 4.169 -3.080 2.987 352 HD22 LEU 48 1HD2 LEU 48 4.305 -2.052 1.560 353 HD23 LEU 48 2HD2 LEU 48 3.371 -3.544 1.476 354 H ILE 49 H ILE 49 0.583 -3.469 4.587 355 HA ILE 49 HA ILE 49 2.389 -5.448 5.887 356 HB ILE 49 HB ILE 49 -0.567 -5.010 6.394 357 HG12 ILE 49 1HG1 ILE 49 1.601 -5.619 8.439 358 HG13 ILE 49 2HG1 ILE 49 1.426 -3.986 7.823 359 HG21 ILE 49 1HG2 ILE 49 1.106 -7.502 6.817 360 HG22 ILE 49 2HG2 ILE 49 -0.443 -7.231 7.651 361 HG23 ILE 49 3HG2 ILE 49 -0.389 -7.381 5.891 362 HD11 ILE 49 3HD1 ILE 49 -0.662 -5.525 9.368 363 HD12 ILE 49 1HD1 ILE 49 0.233 -4.050 9.827 364 HD13 ILE 49 2HD1 ILE 49 -0.969 -3.975 8.543 365 H LEU 50 H LEU 50 2.480 -7.425 4.707 366 HA LEU 50 HA LEU 50 0.882 -7.509 2.177 367 HB2 LEU 50 1HB LEU 50 3.730 -8.447 2.616 368 HB3 LEU 50 2HB LEU 50 2.793 -8.778 1.181 369 HG LEU 50 HG LEU 50 3.904 -6.131 2.078 370 HD11 LEU 50 1HD1 LEU 50 4.296 -7.630 -0.482 371 HD12 LEU 50 2HD1 LEU 50 5.415 -7.588 0.909 372 HD13 LEU 50 3HD1 LEU 50 5.065 -6.095 0.034 373 HD21 LEU 50 3HD2 LEU 50 2.923 -5.148 -0.005 374 HD22 LEU 50 1HD2 LEU 50 1.811 -5.419 1.338 375 HD23 LEU 50 2HD2 LEU 50 1.820 -6.546 -0.032 376 H THR 51 H THR 51 -0.590 -9.152 2.239 377 HA THR 51 HA THR 51 -0.231 -11.343 4.128 378 HB THR 51 HB THR 51 -2.483 -11.853 3.731 379 HG1 THR 51 1HG THR 51 -3.541 -11.409 2.066 380 HG21 THR 51 3HG2 THR 51 -2.151 -9.622 4.902 381 HG22 THR 51 1HG2 THR 51 -3.712 -9.830 4.076 382 HG23 THR 51 2HG2 THR 51 -2.453 -8.827 3.333 383 H GLY 52 H GLY 52 1.085 -11.018 1.118 384 HA2 GLY 52 1HA GLY 52 0.570 -13.810 0.237 385 HA3 GLY 52 2HA GLY 52 1.395 -12.548 -0.685 386 H GLU 53 H GLU 53 2.460 -15.122 -0.373 387 HA GLU 53 HA GLU 53 4.389 -14.996 1.871 388 HB2 GLU 53 1HB GLU 53 3.003 -17.213 0.334 389 HB3 GLU 53 2HB GLU 53 4.407 -17.538 1.348 390 HG2 GLU 53 1HG GLU 53 3.269 -16.370 3.244 391 HG3 GLU 53 2HG GLU 53 1.803 -16.260 2.259 392 H ASP 54 H ASP 54 4.606 -14.152 -1.300 393 HA ASP 54 HA ASP 54 7.465 -14.830 -1.459 394 HB2 ASP 54 1HB ASP 54 5.958 -16.705 -2.549 395 HB3 ASP 54 2HB ASP 54 5.595 -15.488 -3.758 396 HA PRO 55 HA PRO 55 7.209 -10.746 -3.276 397 HB2 PRO 55 1HB PRO 55 9.594 -10.757 -4.746 398 HB3 PRO 55 2HB PRO 55 9.461 -10.408 -3.001 399 HG2 PRO 55 1HG PRO 55 10.158 -13.010 -4.344 400 HG3 PRO 55 2HG PRO 55 10.888 -12.281 -2.902 401 HD2 PRO 55 1HD PRO 55 9.146 -14.270 -2.700 402 HD3 PRO 55 2HD PRO 55 9.107 -12.917 -1.548 403 H SER 56 H SER 56 7.596 -13.645 -5.267 404 HA SER 56 HA SER 56 7.085 -12.453 -7.846 405 HB2 SER 56 1HB SER 56 6.486 -15.202 -6.720 406 HB3 SER 56 2HB SER 56 6.141 -14.741 -8.384 407 HG SER 56 HG SER 56 8.729 -14.518 -7.197 408 H ALA 57 H ALA 57 4.968 -12.915 -5.072 409 HA ALA 57 HA ALA 57 2.522 -13.086 -6.622 410 HB1 ALA 57 1HB ALA 57 3.076 -14.262 -4.392 411 HB2 ALA 57 2HB ALA 57 2.809 -12.674 -3.631 412 HB3 ALA 57 3HB ALA 57 1.495 -13.453 -4.538 413 H TYR 58 H TYR 58 4.433 -10.506 -6.317 414 HA TYR 58 HA TYR 58 2.280 -8.487 -6.050 415 HB2 TYR 58 1HB TYR 58 4.958 -8.654 -4.609 416 HB3 TYR 58 2HB TYR 58 4.138 -7.125 -4.828 417 HD1 TYR 58 2HD TYR 58 1.913 -6.702 -3.818 418 HD2 TYR 58 1HD TYR 58 4.162 -10.275 -2.965 419 HE1 TYR 58 2HE TYR 58 0.427 -7.159 -1.889 420 HE2 TYR 58 1HE TYR 58 2.697 -10.745 -1.035 421 HH TYR 58 HH TYR 58 0.062 -8.531 -0.009 422 H SER 59 H SER 59 3.175 -6.318 -6.833 423 HA SER 59 HA SER 59 5.307 -6.556 -8.881 424 HB2 SER 59 1HB SER 59 2.783 -4.866 -9.088 425 HB3 SER 59 2HB SER 59 4.115 -4.912 -10.258 426 HG SER 59 HG SER 59 3.668 -7.209 -10.421 427 H ALA 60 H ALA 60 5.752 -3.968 -9.415 428 HA ALA 60 HA ALA 60 5.533 -1.990 -7.595 429 HB1 ALA 60 1HB ALA 60 8.028 -2.183 -6.604 430 HB2 ALA 60 2HB ALA 60 6.650 -2.965 -5.810 431 HB3 ALA 60 3HB ALA 60 7.747 -3.907 -6.821 432 H GLY 61 H GLY 61 7.189 -3.511 -10.039 433 HA2 GLY 61 1HA GLY 61 8.591 -2.980 -11.765 434 HA3 GLY 61 2HA GLY 61 7.665 -1.490 -11.823 435 H ASP 62 H ASP 62 8.599 0.427 -11.063 436 HA ASP 62 HA ASP 62 11.245 0.369 -9.750 437 HB2 ASP 62 1HB ASP 62 10.598 0.995 -12.576 438 HB3 ASP 62 2HB ASP 62 11.432 2.261 -11.751 439 H GLY 63 H GLY 63 8.228 1.150 -9.228 440 HA2 GLY 63 1HA GLY 63 8.717 3.977 -8.374 441 HA3 GLY 63 2HA GLY 63 7.347 3.509 -9.357 442 H LEU 64 H LEU 64 8.125 1.093 -6.989 443 HA LEU 64 HA LEU 64 5.629 0.846 -6.094 444 HB2 LEU 64 1HB LEU 64 7.696 -0.499 -5.471 445 HB3 LEU 64 2HB LEU 64 7.939 0.580 -4.122 446 HG LEU 64 HG LEU 64 5.449 -1.115 -4.505 447 HD11 LEU 64 1HD1 LEU 64 6.531 -2.858 -3.619 448 HD12 LEU 64 2HD1 LEU 64 7.068 -1.952 -2.224 449 HD13 LEU 64 3HD1 LEU 64 8.057 -1.978 -3.696 450 HD21 LEU 64 3HD2 LEU 64 6.405 0.658 -2.235 451 HD22 LEU 64 1HD2 LEU 64 5.274 -0.688 -1.957 452 HD23 LEU 64 2HD2 LEU 64 4.814 0.609 -3.027 453 H ARG 65 H ARG 65 7.955 2.993 -4.419 454 HA ARG 65 HA ARG 65 5.916 3.745 -2.443 455 HB2 ARG 65 1HB ARG 65 8.787 4.734 -2.835 456 HB3 ARG 65 2HB ARG 65 7.769 5.060 -1.425 457 HG2 ARG 65 1HG ARG 65 7.620 2.586 -1.044 458 HG3 ARG 65 2HG ARG 65 8.815 2.350 -2.313 459 HD2 ARG 65 1HD ARG 65 10.536 3.404 -1.032 460 HD3 ARG 65 2HD ARG 65 9.365 4.262 -0.035 461 HE ARG 65 HE ARG 65 9.356 1.315 0.028 462 HH11 ARG 65 1HH1 ARG 65 10.312 4.254 1.820 463 HH12 ARG 65 2HH1 ARG 65 9.720 3.662 3.346 464 HH21 ARG 65 1HH2 ARG 65 8.635 0.543 2.050 465 HH22 ARG 65 2HH2 ARG 65 8.744 1.603 3.443 466 H ASP 66 H ASP 66 6.478 4.981 -5.533 467 HA ASP 66 HA ASP 66 7.530 7.435 -5.030 468 HB2 ASP 66 1HB ASP 66 6.437 6.131 -7.363 469 HB3 ASP 66 2HB ASP 66 5.945 7.823 -7.363 470 H GLY 67 H GLY 67 6.989 9.165 -4.059 471 HA2 GLY 67 1HA GLY 67 5.628 11.095 -3.788 472 HA3 GLY 67 2HA GLY 67 4.190 10.090 -3.946 473 H ALA 68 H ALA 68 5.850 8.171 -2.005 474 HA ALA 68 HA ALA 68 4.994 9.489 0.542 475 HB1 ALA 68 1HB ALA 68 4.169 7.311 1.243 476 HB2 ALA 68 2HB ALA 68 3.488 7.711 -0.337 477 HB3 ALA 68 3HB ALA 68 4.828 6.547 -0.220 478 H ASP 69 H ASP 69 5.691 7.879 2.428 479 HA ASP 69 HA ASP 69 8.282 6.685 2.402 480 HB2 ASP 69 1HB ASP 69 9.111 8.786 3.196 481 HB3 ASP 69 2HB ASP 69 7.632 9.135 4.107 482 H PHE 70 H PHE 70 7.531 4.780 3.221 483 HA PHE 70 HA PHE 70 5.977 4.745 5.704 484 HB2 PHE 70 1HB PHE 70 4.104 3.428 4.851 485 HB3 PHE 70 2HB PHE 70 4.298 4.767 3.916 486 HD1 PHE 70 1HD PHE 70 5.122 1.102 3.753 487 HD2 PHE 70 2HD PHE 70 4.780 4.860 1.634 488 HE1 PHE 70 1HE PHE 70 5.161 -0.082 1.594 489 HE2 PHE 70 2HE PHE 70 4.720 3.642 -0.524 490 HZ PHE 70 HZ PHE 70 4.892 1.164 -0.537 491 H LEU 71 H LEU 71 5.639 2.133 6.122 492 HA LEU 71 HA LEU 71 8.305 0.807 5.678 493 HB2 LEU 71 1HB LEU 71 7.918 1.866 7.973 494 HB3 LEU 71 2HB LEU 71 6.602 0.709 8.195 495 HG LEU 71 HG LEU 71 8.304 -1.153 7.980 496 HD11 LEU 71 1HD1 LEU 71 10.036 0.120 6.719 497 HD12 LEU 71 2HD1 LEU 71 10.687 -0.562 8.212 498 HD13 LEU 71 3HD1 LEU 71 10.276 1.174 8.120 499 HD21 LEU 71 3HD2 LEU 71 7.616 -0.446 10.196 500 HD22 LEU 71 1HD2 LEU 71 8.659 0.982 10.135 501 HD23 LEU 71 2HD2 LEU 71 9.382 -0.628 10.227 502 H ILE 72 H ILE 72 8.247 -1.511 5.526 503 HA ILE 72 HA ILE 72 5.639 -2.673 4.736 504 HB ILE 72 HB ILE 72 8.424 -3.415 3.912 505 HG12 ILE 72 1HG1 ILE 72 6.596 -2.132 1.908 506 HG13 ILE 72 2HG1 ILE 72 7.243 -1.039 3.088 507 HG21 ILE 72 1HG2 ILE 72 7.565 -4.723 2.138 508 HG22 ILE 72 2HG2 ILE 72 6.802 -5.259 3.622 509 HG23 ILE 72 3HG2 ILE 72 5.901 -4.262 2.458 510 HD11 ILE 72 3HD1 ILE 72 9.532 -1.902 2.608 511 HD12 ILE 72 1HD1 ILE 72 8.837 -2.904 1.305 512 HD13 ILE 72 2HD1 ILE 72 8.758 -1.129 1.221 513 H CYS 73 H CYS 73 4.951 -4.470 5.811 514 HA CYS 73 HA CYS 73 6.792 -5.962 7.577 515 HB2 CYS 73 1HB CYS 73 3.809 -5.588 7.958 516 HB3 CYS 73 2HB CYS 73 4.931 -6.386 9.080 517 HG CYS 73 HG CYS 73 6.191 -4.395 9.908 518 H VAL 74 H VAL 74 7.017 -8.153 7.047 519 HA VAL 74 HA VAL 74 4.961 -9.449 5.329 520 HB VAL 74 HB VAL 74 6.765 -10.600 4.089 521 HG11 VAL 74 1HG1 VAL 74 6.781 -7.588 3.869 522 HG12 VAL 74 2HG1 VAL 74 7.593 -8.681 2.729 523 HG13 VAL 74 3HG1 VAL 74 5.850 -8.779 2.960 524 HG21 VAL 74 3HG2 VAL 74 9.093 -9.808 4.164 525 HG22 VAL 74 1HG2 VAL 74 8.703 -8.873 5.626 526 HG23 VAL 74 2HG2 VAL 74 8.561 -10.623 5.638 527 HA PRO 75 HA PRO 75 5.256 -12.416 8.574 528 HB2 PRO 75 1HB PRO 75 4.944 -14.875 7.459 529 HB3 PRO 75 2HB PRO 75 3.611 -13.678 7.444 530 HG2 PRO 75 1HG PRO 75 5.639 -14.244 5.271 531 HG3 PRO 75 2HG PRO 75 3.877 -14.167 5.085 532 HD2 PRO 75 1HD PRO 75 5.420 -12.060 4.488 533 HD3 PRO 75 2HD PRO 75 3.862 -11.792 5.300 534 H GLU 76 H GLU 76 6.810 -13.811 9.598 535 HA GLU 76 HA GLU 76 9.440 -13.380 8.727 536 HB2 GLU 76 1HB GLU 76 10.177 -14.687 10.556 537 HB3 GLU 76 2HB GLU 76 8.755 -13.762 11.040 538 HG2 GLU 76 1HG GLU 76 7.376 -15.909 10.529 539 HG3 GLU 76 2HG GLU 76 8.939 -16.729 10.403 540 H GLU 77 H GLU 77 7.320 -16.153 8.053 541 HA GLU 77 HA GLU 77 9.396 -17.860 7.086 542 HB2 GLU 77 1HB GLU 77 6.596 -18.049 7.520 543 HB3 GLU 77 2HB GLU 77 6.802 -18.397 5.823 544 HG2 GLU 77 1HG GLU 77 8.735 -19.832 7.604 545 HG3 GLU 77 2HG GLU 77 7.050 -20.179 7.926 546 H ALA 78 H ALA 78 7.726 -15.151 5.619 547 HA ALA 78 HA ALA 78 8.787 -15.795 2.917 548 HB1 ALA 78 1HB ALA 78 7.549 -13.936 2.128 549 HB2 ALA 78 2HB ALA 78 6.471 -14.888 3.149 550 HB3 ALA 78 3HB ALA 78 7.184 -13.378 3.770 551 H LEU 79 H LEU 79 9.912 -14.218 5.825 552 HA LEU 79 HA LEU 79 10.513 -11.705 4.822 553 HB2 LEU 79 1HB LEU 79 10.372 -12.234 7.176 554 HB3 LEU 79 2HB LEU 79 11.865 -13.176 7.107 555 HG LEU 79 HG LEU 79 13.165 -11.137 6.672 556 HD11 LEU 79 1HD1 LEU 79 11.523 -9.791 5.385 557 HD12 LEU 79 2HD1 LEU 79 12.089 -8.903 6.804 558 HD13 LEU 79 3HD1 LEU 79 10.497 -9.665 6.844 559 HD21 LEU 79 3HD2 LEU 79 12.584 -11.735 9.049 560 HD22 LEU 79 1HD2 LEU 79 11.170 -10.690 8.944 561 HD23 LEU 79 2HD2 LEU 79 12.801 -9.998 8.816 562 H ASP 80 H ASP 80 12.874 -14.396 5.159 563 HA ASP 80 HA ASP 80 14.994 -13.021 3.738 564 HB2 ASP 80 1HB ASP 80 15.172 -15.041 5.271 565 HB3 ASP 80 2HB ASP 80 14.573 -15.999 3.926 566 H ARG 81 H ARG 81 12.262 -15.043 2.839 567 HA ARG 81 HA ARG 81 12.878 -15.614 0.163 568 HB2 ARG 81 1HB ARG 81 10.972 -16.377 1.804 569 HB3 ARG 81 2HB ARG 81 10.059 -15.049 1.061 570 HG2 ARG 81 1HG ARG 81 10.218 -15.964 -1.079 571 HG3 ARG 81 2HG ARG 81 11.289 -17.289 -0.553 572 HD2 ARG 81 1HD ARG 81 8.560 -16.773 0.683 573 HD3 ARG 81 2HD ARG 81 8.739 -17.851 -0.689 574 HE ARG 81 HE ARG 81 10.624 -18.611 1.289 575 HH11 ARG 81 1HH1 ARG 81 7.054 -18.622 1.043 576 HH12 ARG 81 2HH1 ARG 81 6.888 -19.742 2.378 577 HH21 ARG 81 1HH2 ARG 81 10.404 -19.851 2.978 578 HH22 ARG 81 2HH2 ARG 81 8.907 -20.384 3.610 579 H TYR 82 H TYR 82 11.548 -12.589 1.559 580 HA TYR 82 HA TYR 82 11.386 -11.295 -1.074 581 HB2 TYR 82 1HB TYR 82 11.158 -10.299 1.783 582 HB3 TYR 82 2HB TYR 82 11.305 -9.200 0.432 583 HD1 TYR 82 2HD TYR 82 9.500 -8.879 -1.199 584 HD2 TYR 82 1HD TYR 82 9.051 -11.552 2.140 585 HE1 TYR 82 2HE TYR 82 7.043 -8.997 -1.609 586 HE2 TYR 82 1HE TYR 82 6.636 -11.732 1.707 587 HH TYR 82 HH TYR 82 4.888 -11.052 0.404 588 H ARG 83 H ARG 83 13.748 -11.499 1.642 589 HA ARG 83 HA ARG 83 15.475 -9.443 0.627 590 HB2 ARG 83 1HB ARG 83 16.162 -11.763 2.461 591 HB3 ARG 83 2HB ARG 83 17.191 -10.395 2.074 592 HG2 ARG 83 1HG ARG 83 15.043 -8.958 2.843 593 HG3 ARG 83 2HG ARG 83 14.669 -10.447 3.728 594 HD2 ARG 83 1HD ARG 83 15.929 -9.005 5.157 595 HD3 ARG 83 2HD ARG 83 16.958 -10.386 4.722 596 HE ARG 83 HE ARG 83 17.206 -8.092 2.955 597 HH11 ARG 83 1HH1 ARG 83 18.276 -9.287 6.093 598 HH12 ARG 83 2HH1 ARG 83 19.942 -8.798 5.872 599 HH21 ARG 83 1HH2 ARG 83 19.306 -7.142 2.781 600 HH22 ARG 83 2HH2 ARG 83 20.335 -7.147 4.167 601 H ARG 84 H ARG 84 15.319 -12.900 -0.106 602 HA ARG 84 HA ARG 84 17.759 -12.894 -1.666 603 HB2 ARG 84 1HB ARG 84 17.132 -15.121 -2.325 604 HB3 ARG 84 2HB ARG 84 16.838 -14.921 -0.588 605 HG2 ARG 84 1HG ARG 84 14.430 -14.521 -1.070 606 HG3 ARG 84 2HG ARG 84 14.756 -14.696 -2.779 607 HD2 ARG 84 1HD ARG 84 15.780 -17.026 -1.870 608 HD3 ARG 84 2HD ARG 84 14.522 -16.782 -0.657 609 HE ARG 84 HE ARG 84 12.841 -16.846 -2.371 610 HH11 ARG 84 1HH1 ARG 84 16.066 -17.511 -3.599 611 HH12 ARG 84 2HH1 ARG 84 15.569 -17.980 -5.181 612 HH21 ARG 84 1HH2 ARG 84 12.147 -17.087 -4.615 613 HH22 ARG 84 2HH2 ARG 84 13.328 -17.421 -5.804 614 H ASP 85 H ASP 85 14.914 -11.154 -2.371 615 HA ASP 85 HA ASP 85 14.761 -11.997 -5.188 616 HB2 ASP 85 1HB ASP 85 12.889 -10.820 -3.470 617 HB3 ASP 85 2HB ASP 85 13.492 -9.457 -4.361 618 H TYR 86 H TYR 86 15.929 -11.043 -6.762 619 HA TYR 86 HA TYR 86 17.996 -9.211 -6.129 620 HB2 TYR 86 1HB TYR 86 17.913 -10.811 -8.037 621 HB3 TYR 86 2HB TYR 86 16.743 -9.756 -8.829 622 HD1 TYR 86 1HD TYR 86 20.287 -10.013 -7.677 623 HD2 TYR 86 2HD TYR 86 17.399 -7.628 -9.832 624 HE1 TYR 86 1HE TYR 86 22.111 -8.648 -8.598 625 HE2 TYR 86 2HE TYR 86 19.226 -6.226 -10.729 626 HH TYR 86 HH TYR 86 22.670 -6.769 -9.922 627 H PHE 87 H PHE 87 14.687 -8.658 -7.493 628 HA PHE 87 HA PHE 87 15.089 -5.825 -7.809 629 HB2 PHE 87 1HB PHE 87 13.386 -6.980 -9.040 630 HB3 PHE 87 2HB PHE 87 12.626 -7.580 -7.573 631 HD1 PHE 87 1HD PHE 87 13.655 -3.958 -7.517 632 HD2 PHE 87 2HD PHE 87 10.540 -6.796 -8.490 633 HE1 PHE 87 1HE PHE 87 12.022 -2.160 -7.517 634 HE2 PHE 87 2HE PHE 87 8.894 -4.937 -8.545 635 HZ PHE 87 HZ PHE 87 9.654 -2.612 -8.021 636 H TRP 88 H TRP 88 13.121 -7.627 -5.328 637 HA TRP 88 HA TRP 88 12.629 -5.322 -3.812 638 HB2 TRP 88 1HB TRP 88 12.508 -8.225 -2.957 639 HB3 TRP 88 2HB TRP 88 12.109 -6.910 -1.905 640 HD1 TRP 88 HD TRP 88 10.713 -8.603 -5.069 641 HE1 TRP 88 1HE TRP 88 8.185 -8.077 -5.206 642 HE3 TRP 88 3HE TRP 88 10.401 -5.077 -1.394 643 HZ2 TRP 88 2HZ TRP 88 6.283 -6.436 -3.816 644 HZ3 TRP 88 3HZ TRP 88 8.216 -4.062 -0.782 645 HH2 TRP 88 HH TRP 88 6.152 -4.750 -1.978 646 H GLN 89 H GLN 89 15.610 -7.092 -3.833 647 HA GLN 89 HA GLN 89 17.089 -6.205 -1.720 648 HB2 GLN 89 1HB GLN 89 17.654 -5.628 -4.663 649 HB3 GLN 89 2HB GLN 89 18.732 -5.086 -3.426 650 HG2 GLN 89 1HG GLN 89 19.041 -7.449 -2.662 651 HG3 GLN 89 2HG GLN 89 18.168 -7.963 -4.105 652 HE21 GLN 89 1HE2 GLN 89 19.041 -7.010 -6.270 653 HE22 GLN 89 2HE2 GLN 89 20.787 -6.904 -6.390 654 H THR 90 H THR 90 15.951 -3.985 -4.282 655 HA THR 90 HA THR 90 17.298 -1.727 -3.322 656 HB THR 90 HB THR 90 16.267 -2.307 -5.585 657 HG1 THR 90 1HG THR 90 15.799 -0.005 -5.974 658 HG21 THR 90 3HG2 THR 90 13.966 -2.674 -4.698 659 HG22 THR 90 1HG2 THR 90 14.067 -1.620 -6.119 660 HG23 THR 90 2HG2 THR 90 13.816 -0.906 -4.506 661 H TYR 91 H TYR 91 14.484 -3.244 -2.028 662 HA TYR 91 HA TYR 91 13.716 -0.872 -0.425 663 HB2 TYR 91 1HB TYR 91 12.195 -3.330 -1.380 664 HB3 TYR 91 2HB TYR 91 11.552 -2.204 -0.186 665 HD1 TYR 91 1HD TYR 91 11.729 0.362 -0.803 666 HD2 TYR 91 2HD TYR 91 11.594 -2.869 -3.708 667 HE1 TYR 91 1HE TYR 91 10.933 1.927 -2.548 668 HE2 TYR 91 2HE TYR 91 10.687 -1.335 -5.358 669 HH TYR 91 HH TYR 91 10.124 0.901 -5.839 670 H ALA 92 H ALA 92 15.806 -3.329 0.124 671 HA ALA 92 HA ALA 92 14.544 -4.886 2.148 672 HB1 ALA 92 1HB ALA 92 17.487 -4.400 1.576 673 HB2 ALA 92 2HB ALA 92 16.847 -5.622 2.693 674 HB3 ALA 92 3HB ALA 92 16.482 -5.747 0.973 675 H ALA 93 H ALA 93 16.023 -1.707 2.218 676 HA ALA 93 HA ALA 93 16.578 -1.635 4.971 677 HB1 ALA 93 1HB ALA 93 17.579 -0.085 3.357 678 HB2 ALA 93 2HB ALA 93 15.997 0.717 3.149 679 HB3 ALA 93 3HB ALA 93 16.830 0.757 4.715 680 H TRP 94 H TRP 94 13.471 -1.554 3.462 681 HA TRP 94 HA TRP 94 12.258 -0.391 5.942 682 HB2 TRP 94 1HB TRP 94 11.191 -0.165 3.119 683 HB3 TRP 94 2HB TRP 94 10.491 0.526 4.568 684 HD1 TRP 94 HD TRP 94 11.601 2.691 5.621 685 HE1 TRP 94 1HE TRP 94 13.336 4.377 4.782 686 HE3 TRP 94 3HE TRP 94 13.053 0.282 1.359 687 HZ2 TRP 94 2HZ TRP 94 15.262 4.546 2.655 688 HZ3 TRP 94 3HZ TRP 94 14.718 1.340 -0.174 689 HH2 TRP 94 HH TRP 94 15.879 3.416 0.484 690 H ILE 95 H ILE 95 12.909 -3.259 5.033 691 HA ILE 95 HA ILE 95 10.170 -4.416 5.080 692 HB ILE 95 HB ILE 95 12.830 -5.262 3.936 693 HG12 ILE 95 1HG1 ILE 95 10.002 -5.163 2.797 694 HG13 ILE 95 2HG1 ILE 95 11.238 -3.932 2.583 695 HG21 ILE 95 1HG2 ILE 95 12.176 -7.508 3.516 696 HG22 ILE 95 2HG2 ILE 95 11.963 -7.239 5.235 697 HG23 ILE 95 3HG2 ILE 95 10.557 -7.254 4.154 698 HD11 ILE 95 3HD1 ILE 95 12.688 -5.689 1.458 699 HD12 ILE 95 1HD1 ILE 95 11.263 -6.754 1.464 700 HD13 ILE 95 2HD1 ILE 95 11.224 -5.207 0.596 701 H GLN 96 H GLN 96 9.532 -5.136 6.976 702 HA GLN 96 HA GLN 96 11.447 -6.376 8.862 703 HB2 GLN 96 1HB GLN 96 9.967 -5.441 10.723 704 HB3 GLN 96 2HB GLN 96 11.102 -4.368 9.938 705 HG2 GLN 96 1HG GLN 96 9.332 -3.172 8.870 706 HG3 GLN 96 2HG GLN 96 8.181 -4.494 9.167 707 HE21 GLN 96 1HE2 GLN 96 10.513 -2.834 11.476 708 HE22 GLN 96 2HE2 GLN 96 9.215 -2.364 12.554 709 HA PRO 97 HA PRO 97 8.458 -9.670 9.160 710 HB2 PRO 97 1HB PRO 97 8.337 -10.268 11.857 711 HB3 PRO 97 2HB PRO 97 9.677 -10.740 10.774 712 HG2 PRO 97 1HG PRO 97 9.498 -8.326 12.600 713 HG3 PRO 97 2HG PRO 97 10.864 -9.473 12.414 714 HD2 PRO 97 1HD PRO 97 10.896 -7.126 11.185 715 HD3 PRO 97 2HD PRO 97 11.494 -8.545 10.330 716 H MET 98 H MET 98 6.369 -10.253 10.334 717 HA MET 98 HA MET 98 4.660 -7.890 10.946 718 HB2 MET 98 1HB MET 98 4.051 -10.808 10.253 719 HB3 MET 98 2HB MET 98 2.836 -9.699 10.875 720 HG2 MET 98 1HG MET 98 3.612 -8.115 8.953 721 HG3 MET 98 2HG MET 98 4.230 -9.616 8.244 722 HE1 MET 98 3HE MET 98 1.219 -10.921 6.495 723 HE2 MET 98 1HE MET 98 2.794 -10.131 6.267 724 HE3 MET 98 2HE MET 98 2.653 -11.555 7.333 725 H GLU 99 H GLU 99 2.952 -8.353 12.644 726 HA GLU 99 HA GLU 99 4.034 -9.706 15.049 727 HB2 GLU 99 1HB GLU 99 1.588 -7.902 14.709 728 HB3 GLU 99 2HB GLU 99 2.163 -8.628 16.210 729 HG2 GLU 99 1HG GLU 99 4.344 -7.342 15.862 730 HG3 GLU 99 2HG GLU 99 3.480 -6.412 14.615 731 H GLN 100 H GLN 100 2.205 -10.755 16.230 732 HA GLN 100 HA GLN 100 0.874 -12.483 16.613 733 HB2 GLN 100 1HB GLN 100 -0.616 -11.737 14.637 734 HB3 GLN 100 2HB GLN 100 0.225 -12.994 13.710 735 HG2 GLN 100 1HG GLN 100 -0.519 -14.691 15.344 736 HG3 GLN 100 2HG GLN 100 -1.219 -13.439 16.369 737 HE21 GLN 100 1HE2 GLN 100 -3.442 -13.264 16.173 738 HE22 GLN 100 2HE2 GLN 100 -4.330 -13.787 14.761 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -12.442 17.716 -6.113 2 HA2 GLY 1 1HA GLY 1 -14.067 17.424 -8.576 3 HA3 GLY 1 2HA GLY 1 -12.421 16.753 -8.433 4 H SER 2 H SER 2 -15.412 15.503 -8.530 5 HA SER 2 HA SER 2 -15.863 14.307 -6.060 6 HB2 SER 2 1HB SER 2 -17.037 12.570 -7.693 7 HB3 SER 2 2HB SER 2 -17.664 14.196 -7.423 8 HG SER 2 HG SER 2 -16.833 13.094 -9.705 9 H HIS 3 H HIS 3 -15.495 12.200 -5.257 10 HA HIS 3 HA HIS 3 -14.146 10.063 -6.324 11 HB2 HIS 3 1HB HIS 3 -11.985 10.143 -5.172 12 HB3 HIS 3 2HB HIS 3 -12.037 11.385 -6.392 13 HD1 HIS 3 1HD HIS 3 -12.861 13.980 -5.037 14 HD2 HIS 3 2HD HIS 3 -11.025 10.814 -2.916 15 HE1 HIS 3 1HE HIS 3 -11.844 14.996 -2.985 16 H GLU 4 H GLU 4 -13.697 8.475 -4.696 17 HA GLU 4 HA GLU 4 -15.589 8.806 -2.491 18 HB2 GLU 4 1HB GLU 4 -15.598 6.936 -4.187 19 HB3 GLU 4 2HB GLU 4 -14.125 6.311 -3.429 20 HG2 GLU 4 1HG GLU 4 -15.270 5.862 -1.379 21 HG3 GLU 4 2HG GLU 4 -16.609 6.951 -1.818 22 H GLY 5 H GLY 5 -15.002 7.786 -0.330 23 HA2 GLY 5 1HA GLY 5 -12.370 8.849 0.524 24 HA3 GLY 5 2HA GLY 5 -13.867 8.874 1.435 25 H GLU 6 H GLU 6 -13.250 5.784 -0.184 26 HA GLU 6 HA GLU 6 -12.342 4.601 2.351 27 HB2 GLU 6 1HB GLU 6 -13.970 3.679 -0.005 28 HB3 GLU 6 2HB GLU 6 -12.910 2.548 0.781 29 HG2 GLU 6 1HG GLU 6 -14.244 3.768 2.938 30 HG3 GLU 6 2HG GLU 6 -15.484 3.599 1.699 31 HA PRO 7 HA PRO 7 -8.508 4.574 -0.271 32 HB2 PRO 7 1HB PRO 7 -6.692 5.168 1.647 33 HB3 PRO 7 2HB PRO 7 -7.720 6.446 0.948 34 HG2 PRO 7 1HG PRO 7 -8.209 4.855 3.521 35 HG3 PRO 7 2HG PRO 7 -8.196 6.619 3.326 36 HD2 PRO 7 1HD PRO 7 -10.509 5.211 3.232 37 HD3 PRO 7 2HD PRO 7 -10.210 6.619 2.152 38 H VAL 8 H VAL 8 -9.294 2.276 -0.361 39 HA VAL 8 HA VAL 8 -7.460 0.540 1.160 40 HB VAL 8 HB VAL 8 -10.343 -0.359 0.846 41 HG11 VAL 8 1HG1 VAL 8 -9.671 -1.784 2.847 42 HG12 VAL 8 2HG1 VAL 8 -8.795 -2.141 1.369 43 HG13 VAL 8 3HG1 VAL 8 -8.029 -1.198 2.650 44 HG21 VAL 8 3HG2 VAL 8 -10.625 1.629 2.209 45 HG22 VAL 8 1HG2 VAL 8 -10.838 0.185 3.194 46 HG23 VAL 8 2HG2 VAL 8 -9.321 1.106 3.305 47 H VAL 9 H VAL 9 -7.110 -1.458 0.119 48 HA VAL 9 HA VAL 9 -7.384 -1.450 -2.767 49 HB VAL 9 HB VAL 9 -5.388 -2.320 -1.569 50 HG11 VAL 9 1HG1 VAL 9 -7.077 -4.664 -0.673 51 HG12 VAL 9 2HG1 VAL 9 -5.330 -4.438 -0.450 52 HG13 VAL 9 3HG1 VAL 9 -6.458 -3.379 0.387 53 HG21 VAL 9 3HG2 VAL 9 -4.980 -4.212 -2.964 54 HG22 VAL 9 1HG2 VAL 9 -6.711 -4.528 -3.176 55 HG23 VAL 9 2HG2 VAL 9 -5.977 -3.075 -3.887 56 H GLY 10 H GLY 10 -8.660 -2.963 -3.929 57 HA2 GLY 10 1HA GLY 10 -10.499 -4.806 -2.569 58 HA3 GLY 10 2HA GLY 10 -11.238 -3.485 -3.490 59 H MET 11 H MET 11 -10.320 -3.203 -5.740 60 HA MET 11 HA MET 11 -8.823 -5.456 -6.906 61 HB2 MET 11 1HB MET 11 -11.525 -4.544 -8.018 62 HB3 MET 11 2HB MET 11 -10.351 -5.537 -8.881 63 HG2 MET 11 1HG MET 11 -10.538 -7.106 -6.767 64 HG3 MET 11 2HG MET 11 -12.048 -6.237 -6.494 65 HE1 MET 11 3HE MET 11 -10.200 -7.633 -9.812 66 HE2 MET 11 1HE MET 11 -10.022 -8.786 -8.466 67 HE3 MET 11 2HE MET 11 -11.020 -9.204 -9.880 68 H ASP 12 H ASP 12 -10.525 -2.325 -7.513 69 HA ASP 12 HA ASP 12 -8.803 -1.794 -9.790 70 HB2 ASP 12 1HB ASP 12 -11.281 -1.297 -9.686 71 HB3 ASP 12 2HB ASP 12 -10.926 -0.008 -8.541 72 H LYS 13 H LYS 13 -6.838 -0.817 -9.595 73 HA LYS 13 HA LYS 13 -6.073 0.060 -6.959 74 HB2 LYS 13 1HB LYS 13 -4.610 -0.477 -9.558 75 HB3 LYS 13 2HB LYS 13 -3.776 0.353 -8.263 76 HG2 LYS 13 1HG LYS 13 -4.966 -2.458 -8.034 77 HG3 LYS 13 2HG LYS 13 -3.277 -1.964 -8.195 78 HD2 LYS 13 1HD LYS 13 -3.431 -0.714 -6.059 79 HD3 LYS 13 2HD LYS 13 -5.054 -1.321 -5.824 80 HE2 LYS 13 1HE LYS 13 -3.561 -2.662 -4.538 81 HE3 LYS 13 2HE LYS 13 -4.256 -3.597 -5.855 82 HZ1 LYS 13 3HZ LYS 13 -2.119 -4.136 -6.219 83 HZ2 LYS 13 1HZ LYS 13 -1.527 -2.819 -5.372 84 HZ3 LYS 13 2HZ LYS 13 -1.963 -2.687 -6.940 85 H SER 14 H SER 14 -7.757 1.944 -8.875 86 HA SER 14 HA SER 14 -5.942 4.166 -8.875 87 HB2 SER 14 1HB SER 14 -8.114 5.229 -9.922 88 HB3 SER 14 2HB SER 14 -7.230 3.942 -10.767 89 HG SER 14 HG SER 14 -9.019 3.053 -10.884 90 H LEU 15 H LEU 15 -7.473 2.998 -6.301 91 HA LEU 15 HA LEU 15 -9.065 5.350 -5.542 92 HB2 LEU 15 1HB LEU 15 -8.862 2.533 -4.408 93 HB3 LEU 15 2HB LEU 15 -10.041 3.738 -3.916 94 HG LEU 15 HG LEU 15 -9.843 2.593 -6.739 95 HD11 LEU 15 1HD1 LEU 15 -11.773 1.968 -4.473 96 HD12 LEU 15 2HD1 LEU 15 -10.501 0.906 -5.129 97 HD13 LEU 15 3HD1 LEU 15 -11.877 1.348 -6.142 98 HD21 LEU 15 3HD2 LEU 15 -10.844 4.817 -6.803 99 HD22 LEU 15 1HD2 LEU 15 -11.922 4.413 -5.450 100 HD23 LEU 15 2HD2 LEU 15 -12.102 3.601 -7.028 101 H PHE 16 H PHE 16 -5.873 4.880 -4.944 102 HA PHE 16 HA PHE 16 -6.016 4.719 -2.025 103 HB2 PHE 16 1HB PHE 16 -3.621 4.788 -3.907 104 HB3 PHE 16 2HB PHE 16 -3.512 4.722 -2.175 105 HD1 PHE 16 2HD PHE 16 -5.137 2.963 -5.069 106 HD2 PHE 16 1HD PHE 16 -3.615 2.670 -1.068 107 HE1 PHE 16 2HE PHE 16 -5.744 0.582 -5.015 108 HE2 PHE 16 1HE PHE 16 -4.070 0.217 -1.077 109 HZ PHE 16 HZ PHE 16 -5.117 -0.831 -3.098 110 H ALA 17 H ALA 17 -4.652 6.970 -4.388 111 HA ALA 17 HA ALA 17 -3.644 8.847 -2.572 112 HB1 ALA 17 1HB ALA 17 -3.198 10.201 -4.587 113 HB2 ALA 17 2HB ALA 17 -2.639 8.529 -4.725 114 HB3 ALA 17 3HB ALA 17 -4.128 9.041 -5.553 115 H GLY 18 H GLY 18 -5.377 9.454 -1.231 116 HA2 GLY 18 1HA GLY 18 -6.756 11.830 -1.993 117 HA3 GLY 18 2HA GLY 18 -7.930 10.511 -1.916 118 H ASN 19 H ASN 19 -6.014 9.337 0.339 119 HA ASN 19 HA ASN 19 -7.024 11.155 2.530 120 HB2 ASN 19 1HB ASN 19 -8.090 8.942 2.453 121 HB3 ASN 19 2HB ASN 19 -6.499 8.189 2.732 122 HD21 ASN 19 1HD2 ASN 19 -8.962 8.075 4.630 123 HD22 ASN 19 2HD2 ASN 19 -8.320 8.840 6.052 124 H THR 20 H THR 20 -5.336 12.418 3.326 125 HA THR 20 HA THR 20 -2.573 11.647 3.033 126 HB THR 20 HB THR 20 -2.152 13.667 4.445 127 HG1 THR 20 1HG THR 20 -3.755 13.931 5.727 128 HG21 THR 20 3HG2 THR 20 -2.891 15.323 2.867 129 HG22 THR 20 1HG2 THR 20 -4.090 14.203 2.203 130 HG23 THR 20 2HG2 THR 20 -2.359 13.868 2.000 131 H VAL 21 H VAL 21 -4.668 10.175 5.163 132 HA VAL 21 HA VAL 21 -3.015 10.574 7.602 133 HB VAL 21 HB VAL 21 -6.028 10.207 7.491 134 HG11 VAL 21 1HG1 VAL 21 -5.971 11.458 9.643 135 HG12 VAL 21 2HG1 VAL 21 -5.136 9.919 9.714 136 HG13 VAL 21 3HG1 VAL 21 -4.195 11.433 9.589 137 HG21 VAL 21 3HG2 VAL 21 -6.334 12.618 7.695 138 HG22 VAL 21 1HG2 VAL 21 -4.579 12.888 7.475 139 HG23 VAL 21 2HG2 VAL 21 -5.599 12.238 6.158 140 H ILE 22 H ILE 22 -4.001 8.244 5.399 141 HA ILE 22 HA ILE 22 -4.596 5.982 7.019 142 HB ILE 22 HB ILE 22 -5.424 6.107 4.807 143 HG12 ILE 22 1HG1 ILE 22 -3.122 4.091 4.836 144 HG13 ILE 22 2HG1 ILE 22 -4.649 3.914 5.701 145 HG21 ILE 22 1HG2 ILE 22 -2.685 6.109 3.501 146 HG22 ILE 22 2HG2 ILE 22 -4.275 6.418 2.780 147 HG23 ILE 22 3HG2 ILE 22 -3.528 7.616 3.824 148 HD11 ILE 22 3HD1 ILE 22 -4.232 4.044 2.699 149 HD12 ILE 22 1HD1 ILE 22 -4.842 2.689 3.660 150 HD13 ILE 22 2HD1 ILE 22 -5.827 4.164 3.493 151 H ARG 23 H ARG 23 -3.030 5.620 8.571 152 HA ARG 23 HA ARG 23 -0.210 5.724 7.728 153 HB2 ARG 23 1HB ARG 23 -1.273 4.906 10.441 154 HB3 ARG 23 2HB ARG 23 0.387 5.277 9.969 155 HG2 ARG 23 1HG ARG 23 -0.925 7.581 9.163 156 HG3 ARG 23 2HG ARG 23 -1.854 7.119 10.586 157 HD2 ARG 23 1HD ARG 23 0.195 7.140 11.948 158 HD3 ARG 23 2HD ARG 23 1.177 7.471 10.495 159 HE ARG 23 HE ARG 23 -1.036 9.304 11.041 160 HH11 ARG 23 1HH1 ARG 23 2.559 8.907 11.504 161 HH12 ARG 23 2HH1 ARG 23 2.671 10.532 12.063 162 HH21 ARG 23 1HH2 ARG 23 -0.574 11.501 11.087 163 HH22 ARG 23 2HH2 ARG 23 1.015 12.072 11.454 164 H GLU 24 H GLU 24 -2.624 3.405 7.404 165 HA GLU 24 HA GLU 24 -0.657 1.184 7.358 166 HB2 GLU 24 1HB GLU 24 -3.093 1.392 9.169 167 HB3 GLU 24 2HB GLU 24 -2.735 -0.164 8.430 168 HG2 GLU 24 1HG GLU 24 -0.517 -0.219 9.417 169 HG3 GLU 24 2HG GLU 24 -0.794 1.356 10.194 170 H ILE 25 H ILE 25 -1.005 -0.085 5.610 171 HA ILE 25 HA ILE 25 -3.757 -0.363 4.539 172 HB ILE 25 HB ILE 25 -1.411 -0.534 2.652 173 HG12 ILE 25 1HG1 ILE 25 -2.594 2.067 3.585 174 HG13 ILE 25 2HG1 ILE 25 -0.943 1.591 3.427 175 HG21 ILE 25 1HG2 ILE 25 -3.076 -0.161 0.967 176 HG22 ILE 25 2HG2 ILE 25 -3.682 -1.388 2.067 177 HG23 ILE 25 3HG2 ILE 25 -4.295 0.272 2.185 178 HD11 ILE 25 3HD1 ILE 25 -1.593 3.231 1.716 179 HD12 ILE 25 1HD1 ILE 25 -1.031 1.702 0.995 180 HD13 ILE 25 2HD1 ILE 25 -2.762 2.106 1.053 181 H THR 26 H THR 26 -4.248 -2.522 4.696 182 HA THR 26 HA THR 26 -2.079 -4.560 4.722 183 HB THR 26 HB THR 26 -5.102 -4.965 4.785 184 HG1 THR 26 1HG THR 26 -4.339 -3.762 6.587 185 HG21 THR 26 3HG2 THR 26 -2.783 -6.781 5.611 186 HG22 THR 26 1HG2 THR 26 -3.790 -6.980 4.160 187 HG23 THR 26 2HG2 THR 26 -4.517 -7.165 5.761 188 H VAL 27 H VAL 27 -1.688 -5.780 2.773 189 HA VAL 27 HA VAL 27 -3.581 -5.444 0.531 190 HB VAL 27 HB VAL 27 -0.605 -5.454 0.002 191 HG11 VAL 27 1HG1 VAL 27 -1.283 -4.256 -2.045 192 HG12 VAL 27 2HG1 VAL 27 -2.192 -5.758 -1.877 193 HG13 VAL 27 3HG1 VAL 27 -2.963 -4.207 -1.477 194 HG21 VAL 27 3HG2 VAL 27 -0.775 -3.547 1.514 195 HG22 VAL 27 1HG2 VAL 27 -0.500 -3.042 -0.143 196 HG23 VAL 27 2HG2 VAL 27 -2.133 -2.892 0.558 197 H GLN 28 H GLN 28 -3.723 -7.258 -0.762 198 HA GLN 28 HA GLN 28 -2.468 -9.758 0.215 199 HB2 GLN 28 1HB GLN 28 -4.815 -9.023 -1.619 200 HB3 GLN 28 2HB GLN 28 -4.265 -10.662 -1.503 201 HG2 GLN 28 1HG GLN 28 -4.998 -9.145 1.024 202 HG3 GLN 28 2HG GLN 28 -6.273 -9.707 -0.047 203 HE21 GLN 28 1HE2 GLN 28 -5.910 -10.573 2.693 204 HE22 GLN 28 2HE2 GLN 28 -5.378 -12.248 2.690 205 HA PRO 29 HA PRO 29 0.040 -10.054 -3.455 206 HB2 PRO 29 1HB PRO 29 -0.026 -12.715 -4.045 207 HB3 PRO 29 2HB PRO 29 0.866 -12.056 -2.648 208 HG2 PRO 29 1HG PRO 29 -1.915 -13.252 -2.713 209 HG3 PRO 29 2HG PRO 29 -0.605 -13.631 -1.560 210 HD2 PRO 29 1HD PRO 29 -2.586 -11.913 -0.943 211 HD3 PRO 29 2HD PRO 29 -0.917 -11.605 -0.409 212 H ASN 30 H ASN 30 -0.150 -10.890 -5.761 213 HA ASN 30 HA ASN 30 -1.160 -10.775 -7.785 214 HB2 ASN 30 1HB ASN 30 -2.985 -12.781 -6.460 215 HB3 ASN 30 2HB ASN 30 -2.593 -12.640 -8.174 216 HD21 ASN 30 1HD2 ASN 30 -1.807 -14.400 -5.428 217 HD22 ASN 30 2HD2 ASN 30 -0.180 -14.813 -5.710 218 H ILE 31 H ILE 31 -2.176 -8.543 -6.214 219 HA ILE 31 HA ILE 31 -4.940 -8.351 -7.291 220 HB ILE 31 HB ILE 31 -4.844 -9.065 -4.967 221 HG12 ILE 31 1HG1 ILE 31 -6.357 -6.450 -5.170 222 HG13 ILE 31 2HG1 ILE 31 -6.744 -7.793 -6.249 223 HG21 ILE 31 1HG2 ILE 31 -4.250 -6.216 -4.178 224 HG22 ILE 31 2HG2 ILE 31 -4.222 -7.687 -3.197 225 HG23 ILE 31 3HG2 ILE 31 -2.960 -7.394 -4.412 226 HD11 ILE 31 3HD1 ILE 31 -6.788 -7.918 -3.218 227 HD12 ILE 31 1HD1 ILE 31 -8.171 -7.970 -4.339 228 HD13 ILE 31 2HD1 ILE 31 -7.019 -9.305 -4.319 229 H GLY 32 H GLY 32 -3.266 -7.341 -8.920 230 HA2 GLY 32 1HA GLY 32 -3.603 -5.499 -10.283 231 HA3 GLY 32 2HA GLY 32 -4.141 -4.535 -8.904 232 H LEU 33 H LEU 33 -2.333 -3.581 -10.777 233 HA LEU 33 HA LEU 33 0.381 -4.082 -10.216 234 HB2 LEU 33 1HB LEU 33 -0.617 -3.233 -12.340 235 HB3 LEU 33 2HB LEU 33 -0.893 -1.673 -11.561 236 HG LEU 33 HG LEU 33 1.542 -1.308 -11.367 237 HD11 LEU 33 1HD1 LEU 33 2.345 -3.650 -11.064 238 HD12 LEU 33 2HD1 LEU 33 3.147 -2.874 -12.404 239 HD13 LEU 33 3HD1 LEU 33 1.835 -4.035 -12.714 240 HD21 LEU 33 3HD2 LEU 33 0.703 -2.245 -14.103 241 HD22 LEU 33 1HD2 LEU 33 2.063 -1.150 -13.746 242 HD23 LEU 33 2HD2 LEU 33 0.396 -0.647 -13.412 243 H LEU 34 H LEU 34 2.025 -2.275 -9.530 244 HA LEU 34 HA LEU 34 0.926 -0.280 -7.637 245 HB2 LEU 34 1HB LEU 34 3.320 -2.083 -7.314 246 HB3 LEU 34 2HB LEU 34 2.952 -0.728 -6.264 247 HG LEU 34 HG LEU 34 1.171 -3.112 -6.693 248 HD11 LEU 34 1HD1 LEU 34 3.374 -3.795 -5.706 249 HD12 LEU 34 2HD1 LEU 34 1.922 -4.233 -4.804 250 HD13 LEU 34 3HD1 LEU 34 2.916 -2.880 -4.256 251 HD21 LEU 34 3HD2 LEU 34 0.017 -1.145 -5.725 252 HD22 LEU 34 1HD2 LEU 34 1.269 -1.021 -4.478 253 HD23 LEU 34 2HD2 LEU 34 0.185 -2.419 -4.486 254 H TYR 35 H TYR 35 1.115 1.250 -9.426 255 HA TYR 35 HA TYR 35 3.661 1.268 -10.909 256 HB2 TYR 35 1HB TYR 35 2.554 3.028 -12.262 257 HB3 TYR 35 2HB TYR 35 1.767 1.471 -12.276 258 HD1 TYR 35 1HD TYR 35 1.500 4.967 -11.031 259 HD2 TYR 35 2HD TYR 35 -0.494 1.167 -11.452 260 HE1 TYR 35 1HE TYR 35 -0.670 6.058 -10.603 261 HE2 TYR 35 2HE TYR 35 -2.653 2.237 -10.998 262 HH TYR 35 HH TYR 35 -3.766 4.252 -10.807 263 H ASP 36 H ASP 36 4.852 3.297 -11.220 264 HA ASP 36 HA ASP 36 5.454 4.549 -8.742 265 HB2 ASP 36 1HB ASP 36 7.076 5.771 -9.791 266 HB3 ASP 36 2HB ASP 36 6.988 4.334 -10.792 267 H GLY 37 H GLY 37 4.564 6.168 -7.702 268 HA2 GLY 37 1HA GLY 37 3.466 8.233 -7.394 269 HA3 GLY 37 2HA GLY 37 3.005 8.253 -9.079 270 H MET 38 H MET 38 2.100 5.203 -7.574 271 HA MET 38 HA MET 38 -0.667 5.722 -7.677 272 HB2 MET 38 1HB MET 38 1.011 3.517 -7.390 273 HB3 MET 38 2HB MET 38 0.271 3.610 -5.795 274 HG2 MET 38 1HG MET 38 -1.941 3.724 -6.980 275 HG3 MET 38 2HG MET 38 -1.082 3.506 -8.494 276 HE1 MET 38 3HE MET 38 -1.514 2.023 -4.958 277 HE2 MET 38 1HE MET 38 -2.995 1.463 -5.794 278 HE3 MET 38 2HE MET 38 -1.775 0.291 -5.292 279 H PHE 39 H PHE 39 1.730 6.113 -5.088 280 HA PHE 39 HA PHE 39 -0.373 6.799 -3.098 281 HB2 PHE 39 1HB PHE 39 2.568 6.134 -2.703 282 HB3 PHE 39 2HB PHE 39 1.382 6.380 -1.431 283 HD1 PHE 39 1HD PHE 39 -0.722 4.808 -1.418 284 HD2 PHE 39 2HD PHE 39 2.940 3.970 -3.521 285 HE1 PHE 39 1HE PHE 39 -1.365 2.416 -1.604 286 HE2 PHE 39 2HE PHE 39 2.291 1.620 -3.745 287 HZ PHE 39 HZ PHE 39 0.100 0.830 -2.832 288 H SER 40 H SER 40 0.295 8.689 -5.166 289 HA SER 40 HA SER 40 2.432 10.456 -4.358 290 HB2 SER 40 1HB SER 40 1.736 10.184 -6.708 291 HB3 SER 40 2HB SER 40 0.109 10.775 -6.324 292 HG SER 40 HG SER 40 0.890 12.584 -6.858 293 H GLY 41 H GLY 41 2.183 11.346 -2.349 294 HA2 GLY 41 1HA GLY 41 1.392 13.193 -1.072 295 HA3 GLY 41 2HA GLY 41 -0.173 13.106 -1.869 296 H CYS 42 H CYS 42 0.981 9.971 -0.864 297 HA CYS 42 HA CYS 42 -0.979 9.827 1.314 298 HB2 CYS 42 1HB CYS 42 1.099 7.882 0.246 299 HB3 CYS 42 2HB CYS 42 -0.016 7.516 1.568 300 HG CYS 42 HG CYS 42 -1.235 8.819 -1.173 301 H THR 43 H THR 43 0.248 11.836 2.263 302 HA THR 43 HA THR 43 2.929 11.596 2.935 303 HB THR 43 HB THR 43 2.427 13.813 4.104 304 HG1 THR 43 1HG THR 43 0.401 14.636 3.747 305 HG21 THR 43 3HG2 THR 43 1.459 13.427 1.235 306 HG22 THR 43 1HG2 THR 43 3.101 13.803 1.745 307 HG23 THR 43 2HG2 THR 43 1.806 14.983 1.968 308 H ALA 44 H ALA 44 0.295 10.410 4.917 309 HA ALA 44 HA ALA 44 2.203 10.247 7.213 310 HB1 ALA 44 1HB ALA 44 -0.800 9.938 7.334 311 HB2 ALA 44 2HB ALA 44 0.345 10.098 8.664 312 HB3 ALA 44 3HB ALA 44 0.044 11.493 7.615 313 H LEU 45 H LEU 45 1.772 8.424 4.670 314 HA LEU 45 HA LEU 45 0.788 5.936 5.742 315 HB2 LEU 45 1HB LEU 45 1.040 6.750 3.308 316 HB3 LEU 45 2HB LEU 45 2.687 6.220 3.373 317 HG LEU 45 HG LEU 45 0.225 4.700 3.995 318 HD11 LEU 45 1HD1 LEU 45 -0.036 5.129 1.710 319 HD12 LEU 45 2HD1 LEU 45 0.679 3.504 1.677 320 HD13 LEU 45 3HD1 LEU 45 1.686 4.923 1.388 321 HD21 LEU 45 3HD2 LEU 45 2.191 2.759 3.429 322 HD22 LEU 45 1HD2 LEU 45 0.612 2.721 4.180 323 HD23 LEU 45 2HD2 LEU 45 1.901 3.448 5.079 324 H GLU 46 H GLU 46 1.807 4.825 7.352 325 HA GLU 46 HA GLU 46 4.789 4.934 7.457 326 HB2 GLU 46 1HB GLU 46 2.752 5.028 9.709 327 HB3 GLU 46 2HB GLU 46 4.457 4.728 9.930 328 HG2 GLU 46 1HG GLU 46 4.731 6.954 8.430 329 HG3 GLU 46 2HG GLU 46 3.131 7.292 9.096 330 H LYS 47 H LYS 47 2.072 2.807 7.181 331 HA LYS 47 HA LYS 47 3.943 0.575 7.389 332 HB2 LYS 47 1HB LYS 47 1.326 0.954 8.926 333 HB3 LYS 47 2HB LYS 47 1.905 -0.660 8.517 334 HG2 LYS 47 1HG LYS 47 4.116 0.091 9.638 335 HG3 LYS 47 2HG LYS 47 3.149 1.368 10.393 336 HD2 LYS 47 1HD LYS 47 1.770 -0.225 11.545 337 HD3 LYS 47 2HD LYS 47 2.271 -1.524 10.456 338 HE2 LYS 47 1HE LYS 47 3.264 -1.812 12.674 339 HE3 LYS 47 2HE LYS 47 4.490 -1.618 11.415 340 HZ1 LYS 47 3HZ LYS 47 4.836 0.634 12.129 341 HZ2 LYS 47 1HZ LYS 47 4.935 -0.342 13.457 342 HZ3 LYS 47 2HZ LYS 47 3.592 0.520 13.241 343 H LEU 48 H LEU 48 3.324 -1.279 6.366 344 HA LEU 48 HA LEU 48 1.071 -1.255 4.512 345 HB2 LEU 48 1HB LEU 48 2.833 0.076 3.284 346 HB3 LEU 48 2HB LEU 48 3.890 -1.329 3.358 347 HG LEU 48 HG LEU 48 1.406 -2.406 2.477 348 HD11 LEU 48 1HD1 LEU 48 0.553 -1.078 0.766 349 HD12 LEU 48 2HD1 LEU 48 1.884 0.117 0.893 350 HD13 LEU 48 3HD1 LEU 48 0.682 -0.036 2.194 351 HD21 LEU 48 3HD2 LEU 48 2.453 -2.681 0.306 352 HD22 LEU 48 1HD2 LEU 48 3.543 -3.114 1.638 353 HD23 LEU 48 2HD2 LEU 48 3.759 -1.584 0.762 354 H ILE 49 H ILE 49 0.359 -3.162 5.104 355 HA ILE 49 HA ILE 49 2.282 -5.298 5.871 356 HB ILE 49 HB ILE 49 -0.720 -5.145 6.371 357 HG12 ILE 49 1HG1 ILE 49 0.463 -4.933 8.833 358 HG13 ILE 49 2HG1 ILE 49 1.605 -4.018 7.867 359 HG21 ILE 49 1HG2 ILE 49 -0.155 -6.955 8.015 360 HG22 ILE 49 2HG2 ILE 49 0.160 -7.446 6.354 361 HG23 ILE 49 3HG2 ILE 49 1.509 -6.959 7.412 362 HD11 ILE 49 3HD1 ILE 49 -0.135 -2.590 8.883 363 HD12 ILE 49 1HD1 ILE 49 -0.207 -2.504 7.119 364 HD13 ILE 49 2HD1 ILE 49 -1.395 -3.481 8.009 365 H LEU 50 H LEU 50 2.340 -7.183 4.751 366 HA LEU 50 HA LEU 50 0.709 -7.362 2.237 367 HB2 LEU 50 1HB LEU 50 3.601 -8.095 2.737 368 HB3 LEU 50 2HB LEU 50 2.725 -8.469 1.265 369 HG LEU 50 HG LEU 50 3.665 -5.763 2.278 370 HD11 LEU 50 1HD1 LEU 50 4.142 -7.382 -0.268 371 HD12 LEU 50 2HD1 LEU 50 5.285 -7.159 1.070 372 HD13 LEU 50 3HD1 LEU 50 4.813 -5.775 0.070 373 HD21 LEU 50 3HD2 LEU 50 2.676 -4.886 0.110 374 HD22 LEU 50 1HD2 LEU 50 1.527 -5.188 1.417 375 HD23 LEU 50 2HD2 LEU 50 1.663 -6.351 0.085 376 H THR 51 H THR 51 -0.448 -9.232 2.094 377 HA THR 51 HA THR 51 0.111 -11.372 4.063 378 HB THR 51 HB THR 51 -2.227 -11.732 4.044 379 HG1 THR 51 1HG THR 51 -2.896 -11.535 2.084 380 HG21 THR 51 3HG2 THR 51 -1.935 -8.707 3.843 381 HG22 THR 51 1HG2 THR 51 -1.461 -9.653 5.288 382 HG23 THR 51 2HG2 THR 51 -3.153 -9.613 4.749 383 H GLY 52 H GLY 52 1.669 -11.471 1.725 384 HA2 GLY 52 1HA GLY 52 0.751 -14.017 0.549 385 HA3 GLY 52 2HA GLY 52 1.310 -12.745 -0.555 386 H GLU 53 H GLU 53 2.432 -15.414 0.263 387 HA GLU 53 HA GLU 53 4.515 -14.887 2.171 388 HB2 GLU 53 1HB GLU 53 3.997 -17.375 0.509 389 HB3 GLU 53 2HB GLU 53 5.049 -17.252 1.918 390 HG2 GLU 53 1HG GLU 53 3.255 -16.898 3.413 391 HG3 GLU 53 2HG GLU 53 2.070 -16.782 2.096 392 H ASP 54 H ASP 54 4.652 -13.925 -0.998 393 HA ASP 54 HA ASP 54 7.513 -14.679 -1.406 394 HB2 ASP 54 1HB ASP 54 5.999 -16.453 -2.314 395 HB3 ASP 54 2HB ASP 54 5.134 -15.247 -3.269 396 HA PRO 55 HA PRO 55 7.197 -10.508 -3.065 397 HB2 PRO 55 1HB PRO 55 9.544 -10.371 -4.543 398 HB3 PRO 55 2HB PRO 55 9.446 -10.210 -2.770 399 HG2 PRO 55 1HG PRO 55 10.216 -12.612 -4.403 400 HG3 PRO 55 2HG PRO 55 10.882 -12.073 -2.853 401 HD2 PRO 55 1HD PRO 55 9.112 -14.098 -2.979 402 HD3 PRO 55 2HD PRO 55 9.165 -12.932 -1.619 403 H SER 56 H SER 56 7.863 -13.150 -5.450 404 HA SER 56 HA SER 56 7.238 -11.428 -7.705 405 HB2 SER 56 1HB SER 56 7.707 -14.426 -7.475 406 HB3 SER 56 2HB SER 56 7.577 -13.517 -8.996 407 HG SER 56 HG SER 56 9.752 -13.944 -8.082 408 H ALA 57 H ALA 57 5.303 -12.983 -5.414 409 HA ALA 57 HA ALA 57 2.906 -13.217 -7.102 410 HB1 ALA 57 1HB ALA 57 3.278 -14.536 -5.002 411 HB2 ALA 57 2HB ALA 57 3.171 -13.017 -4.075 412 HB3 ALA 57 3HB ALA 57 1.780 -13.591 -5.021 413 H TYR 58 H TYR 58 4.722 -10.533 -5.885 414 HA TYR 58 HA TYR 58 2.308 -8.819 -5.785 415 HB2 TYR 58 1HB TYR 58 5.045 -8.491 -4.580 416 HB3 TYR 58 2HB TYR 58 4.012 -7.106 -4.885 417 HD1 TYR 58 1HD TYR 58 4.266 -10.283 -3.030 418 HD2 TYR 58 2HD TYR 58 1.967 -6.697 -3.662 419 HE1 TYR 58 1HE TYR 58 2.829 -10.892 -1.131 420 HE2 TYR 58 2HE TYR 58 0.542 -7.245 -1.694 421 HH TYR 58 HH TYR 58 0.905 -10.355 0.035 422 H SER 59 H SER 59 2.752 -6.560 -6.618 423 HA SER 59 HA SER 59 3.981 -6.539 -9.237 424 HB2 SER 59 1HB SER 59 2.333 -4.362 -9.026 425 HB3 SER 59 2HB SER 59 1.744 -5.910 -9.607 426 HG SER 59 HG SER 59 0.349 -5.343 -7.986 427 H ALA 60 H ALA 60 4.244 -3.839 -9.325 428 HA ALA 60 HA ALA 60 5.324 -1.998 -8.757 429 HB1 ALA 60 1HB ALA 60 6.737 -1.660 -6.856 430 HB2 ALA 60 2HB ALA 60 5.177 -2.268 -6.281 431 HB3 ALA 60 3HB ALA 60 6.585 -3.349 -6.339 432 H GLY 61 H GLY 61 7.237 -1.443 -9.657 433 HA2 GLY 61 1HA GLY 61 9.667 -2.957 -9.254 434 HA3 GLY 61 2HA GLY 61 9.027 -3.218 -10.891 435 H ASP 62 H ASP 62 7.922 -0.481 -11.004 436 HA ASP 62 HA ASP 62 10.111 1.043 -12.067 437 HB2 ASP 62 1HB ASP 62 8.186 2.772 -12.142 438 HB3 ASP 62 2HB ASP 62 8.050 1.327 -13.136 439 H GLY 63 H GLY 63 8.018 1.134 -9.182 440 HA2 GLY 63 1HA GLY 63 9.812 2.560 -7.405 441 HA3 GLY 63 2HA GLY 63 8.886 3.663 -8.445 442 H LEU 64 H LEU 64 8.309 0.868 -6.296 443 HA LEU 64 HA LEU 64 5.574 0.944 -6.107 444 HB2 LEU 64 1HB LEU 64 6.786 -0.758 -4.845 445 HB3 LEU 64 2HB LEU 64 7.563 0.460 -3.835 446 HG LEU 64 HG LEU 64 5.300 1.055 -2.843 447 HD11 LEU 64 1HD1 LEU 64 4.378 -1.306 -4.474 448 HD12 LEU 64 2HD1 LEU 64 3.883 0.379 -4.693 449 HD13 LEU 64 3HD1 LEU 64 3.407 -0.477 -3.230 450 HD21 LEU 64 3HD2 LEU 64 6.326 -0.355 -1.394 451 HD22 LEU 64 1HD2 LEU 64 6.447 -1.671 -2.577 452 HD23 LEU 64 2HD2 LEU 64 4.902 -1.318 -1.779 453 H ARG 65 H ARG 65 7.722 2.765 -3.856 454 HA ARG 65 HA ARG 65 5.310 3.825 -2.595 455 HB2 ARG 65 1HB ARG 65 8.220 4.566 -2.112 456 HB3 ARG 65 2HB ARG 65 6.827 4.940 -1.093 457 HG2 ARG 65 1HG ARG 65 6.591 2.295 -0.974 458 HG3 ARG 65 2HG ARG 65 8.268 2.321 -1.404 459 HD2 ARG 65 1HD ARG 65 7.353 4.180 0.809 460 HD3 ARG 65 2HD ARG 65 7.447 2.446 1.127 461 HE ARG 65 HE ARG 65 9.633 2.449 1.078 462 HH11 ARG 65 1HH1 ARG 65 8.781 5.777 -0.267 463 HH12 ARG 65 2HH1 ARG 65 10.468 6.116 -0.383 464 HH21 ARG 65 1HH2 ARG 65 11.803 3.138 0.750 465 HH22 ARG 65 2HH2 ARG 65 12.074 4.696 0.092 466 H ASP 66 H ASP 66 7.029 4.852 -5.317 467 HA ASP 66 HA ASP 66 8.089 7.234 -4.853 468 HB2 ASP 66 1HB ASP 66 7.928 5.893 -7.036 469 HB3 ASP 66 2HB ASP 66 6.453 6.838 -7.357 470 H GLY 67 H GLY 67 7.354 8.992 -3.812 471 HA2 GLY 67 1HA GLY 67 5.931 10.979 -3.892 472 HA3 GLY 67 2HA GLY 67 4.584 9.925 -4.340 473 H ALA 68 H ALA 68 5.977 8.067 -2.047 474 HA ALA 68 HA ALA 68 5.557 9.677 0.366 475 HB1 ALA 68 1HB ALA 68 4.067 7.058 -0.146 476 HB2 ALA 68 2HB ALA 68 4.071 7.963 1.386 477 HB3 ALA 68 3HB ALA 68 3.333 8.673 -0.057 478 H ASP 69 H ASP 69 6.201 8.218 2.370 479 HA ASP 69 HA ASP 69 8.176 6.133 1.718 480 HB2 ASP 69 1HB ASP 69 9.431 8.272 1.799 481 HB3 ASP 69 2HB ASP 69 8.917 8.473 3.477 482 H PHE 70 H PHE 70 6.592 4.774 2.425 483 HA PHE 70 HA PHE 70 5.831 4.832 5.287 484 HB2 PHE 70 1HB PHE 70 3.969 3.303 4.607 485 HB3 PHE 70 2HB PHE 70 4.038 4.703 3.673 486 HD1 PHE 70 2HD PHE 70 5.362 1.147 3.349 487 HD2 PHE 70 1HD PHE 70 3.917 4.727 1.384 488 HE1 PHE 70 2HE PHE 70 5.215 -0.058 1.219 489 HE2 PHE 70 1HE PHE 70 3.638 3.457 -0.716 490 HZ PHE 70 HZ PHE 70 4.232 1.051 -0.795 491 H LEU 71 H LEU 71 5.582 2.190 5.884 492 HA LEU 71 HA LEU 71 8.304 1.029 5.481 493 HB2 LEU 71 1HB LEU 71 7.267 2.087 7.842 494 HB3 LEU 71 2HB LEU 71 6.882 0.389 8.013 495 HG LEU 71 HG LEU 71 9.610 1.710 7.671 496 HD11 LEU 71 1HD1 LEU 71 10.003 0.859 9.948 497 HD12 LEU 71 2HD1 LEU 71 8.394 0.124 9.983 498 HD13 LEU 71 3HD1 LEU 71 8.577 1.896 9.921 499 HD21 LEU 71 3HD2 LEU 71 10.528 -0.595 8.084 500 HD22 LEU 71 1HD2 LEU 71 9.725 -0.358 6.529 501 HD23 LEU 71 2HD2 LEU 71 8.888 -1.239 7.832 502 H ILE 72 H ILE 72 8.224 -1.360 5.628 503 HA ILE 72 HA ILE 72 5.587 -2.457 4.750 504 HB ILE 72 HB ILE 72 8.259 -3.503 3.884 505 HG12 ILE 72 1HG1 ILE 72 6.341 -1.944 2.131 506 HG13 ILE 72 2HG1 ILE 72 7.561 -1.070 3.026 507 HG21 ILE 72 1HG2 ILE 72 6.898 -4.725 2.201 508 HG22 ILE 72 2HG2 ILE 72 6.454 -5.163 3.826 509 HG23 ILE 72 3HG2 ILE 72 5.417 -4.049 2.925 510 HD11 ILE 72 3HD1 ILE 72 8.346 -3.414 1.287 511 HD12 ILE 72 1HD1 ILE 72 8.206 -1.765 0.685 512 HD13 ILE 72 2HD1 ILE 72 9.369 -2.133 1.974 513 H CYS 73 H CYS 73 4.857 -4.359 5.716 514 HA CYS 73 HA CYS 73 6.722 -5.845 7.465 515 HB2 CYS 73 1HB CYS 73 3.837 -5.061 8.049 516 HB3 CYS 73 2HB CYS 73 4.634 -6.452 8.810 517 HG CYS 73 HG CYS 73 6.431 -5.434 10.067 518 H VAL 74 H VAL 74 6.804 -7.979 7.133 519 HA VAL 74 HA VAL 74 4.790 -9.344 5.460 520 HB VAL 74 HB VAL 74 6.559 -10.408 4.143 521 HG11 VAL 74 1HG1 VAL 74 5.644 -8.306 3.232 522 HG12 VAL 74 2HG1 VAL 74 6.912 -7.385 4.030 523 HG13 VAL 74 3HG1 VAL 74 7.328 -8.526 2.758 524 HG21 VAL 74 3HG2 VAL 74 8.404 -10.457 5.669 525 HG22 VAL 74 1HG2 VAL 74 8.887 -9.631 4.176 526 HG23 VAL 74 2HG2 VAL 74 8.543 -8.689 5.638 527 HA PRO 75 HA PRO 75 5.397 -12.184 8.813 528 HB2 PRO 75 1HB PRO 75 4.995 -14.686 7.738 529 HB3 PRO 75 2HB PRO 75 3.676 -13.494 8.000 530 HG2 PRO 75 1HG PRO 75 5.151 -14.162 5.458 531 HG3 PRO 75 2HG PRO 75 3.405 -13.846 5.684 532 HD2 PRO 75 1HD PRO 75 5.196 -11.989 4.768 533 HD3 PRO 75 2HD PRO 75 3.698 -11.556 5.633 534 H GLU 76 H GLU 76 7.054 -13.528 9.780 535 HA GLU 76 HA GLU 76 9.587 -13.164 8.760 536 HB2 GLU 76 1HB GLU 76 10.469 -14.683 10.390 537 HB3 GLU 76 2HB GLU 76 9.243 -13.616 11.065 538 HG2 GLU 76 1HG GLU 76 7.600 -15.421 11.052 539 HG3 GLU 76 2HG GLU 76 8.723 -16.506 10.229 540 H GLU 77 H GLU 77 7.443 -15.854 8.115 541 HA GLU 77 HA GLU 77 9.316 -17.621 6.920 542 HB2 GLU 77 1HB GLU 77 6.488 -17.541 7.423 543 HB3 GLU 77 2HB GLU 77 6.677 -17.896 5.713 544 HG2 GLU 77 1HG GLU 77 8.149 -19.754 6.169 545 HG3 GLU 77 2HG GLU 77 8.215 -19.360 7.897 546 H ALA 78 H ALA 78 7.696 -14.772 5.669 547 HA ALA 78 HA ALA 78 8.579 -15.336 2.879 548 HB1 ALA 78 1HB ALA 78 7.115 -13.573 2.250 549 HB2 ALA 78 2HB ALA 78 6.226 -14.619 3.379 550 HB3 ALA 78 3HB ALA 78 6.884 -13.059 3.936 551 H LEU 79 H LEU 79 9.513 -13.628 5.750 552 HA LEU 79 HA LEU 79 10.380 -11.206 4.788 553 HB2 LEU 79 1HB LEU 79 10.239 -11.914 7.160 554 HB3 LEU 79 2HB LEU 79 11.736 -12.834 6.964 555 HG LEU 79 HG LEU 79 12.887 -10.647 6.377 556 HD11 LEU 79 1HD1 LEU 79 11.727 -8.547 7.113 557 HD12 LEU 79 2HD1 LEU 79 10.218 -9.469 7.270 558 HD13 LEU 79 3HD1 LEU 79 11.000 -9.276 5.684 559 HD21 LEU 79 3HD2 LEU 79 12.930 -11.666 8.666 560 HD22 LEU 79 1HD2 LEU 79 11.477 -10.755 9.078 561 HD23 LEU 79 2HD2 LEU 79 12.983 -9.888 8.727 562 H ASP 80 H ASP 80 12.429 -14.146 5.020 563 HA ASP 80 HA ASP 80 14.686 -12.939 3.757 564 HB2 ASP 80 1HB ASP 80 14.211 -15.333 5.035 565 HB3 ASP 80 2HB ASP 80 14.306 -15.868 3.367 566 H ARG 81 H ARG 81 11.733 -14.267 2.436 567 HA ARG 81 HA ARG 81 12.582 -14.851 -0.206 568 HB2 ARG 81 1HB ARG 81 10.203 -14.989 1.382 569 HB3 ARG 81 2HB ARG 81 9.795 -13.939 0.061 570 HG2 ARG 81 1HG ARG 81 9.378 -15.822 -1.078 571 HG3 ARG 81 2HG ARG 81 11.112 -16.093 -1.161 572 HD2 ARG 81 1HD ARG 81 10.488 -18.071 -0.212 573 HD3 ARG 81 2HD ARG 81 10.722 -17.106 1.265 574 HE ARG 81 HE ARG 81 8.057 -16.792 0.455 575 HH11 ARG 81 1HH1 ARG 81 10.005 -19.252 2.146 576 HH12 ARG 81 2HH1 ARG 81 8.635 -20.270 2.439 577 HH21 ARG 81 1HH2 ARG 81 6.350 -18.156 0.775 578 HH22 ARG 81 2HH2 ARG 81 6.481 -19.650 1.626 579 H TYR 82 H TYR 82 10.896 -11.869 1.125 580 HA TYR 82 HA TYR 82 11.254 -10.449 -1.328 581 HB2 TYR 82 1HB TYR 82 10.928 -9.416 1.525 582 HB3 TYR 82 2HB TYR 82 10.849 -8.426 0.090 583 HD1 TYR 82 2HD TYR 82 9.088 -10.956 2.088 584 HD2 TYR 82 1HD TYR 82 8.826 -8.331 -1.310 585 HE1 TYR 82 2HE TYR 82 6.661 -11.402 1.949 586 HE2 TYR 82 1HE TYR 82 6.379 -8.728 -1.417 587 HH TYR 82 HH TYR 82 4.770 -11.207 0.575 588 H ARG 83 H ARG 83 13.466 -11.025 1.396 589 HA ARG 83 HA ARG 83 15.372 -8.940 0.680 590 HB2 ARG 83 1HB ARG 83 15.559 -11.374 2.482 591 HB3 ARG 83 2HB ARG 83 16.857 -10.218 2.214 592 HG2 ARG 83 1HG ARG 83 14.955 -8.415 2.806 593 HG3 ARG 83 2HG ARG 83 14.199 -9.755 3.611 594 HD2 ARG 83 1HD ARG 83 17.100 -9.452 4.222 595 HD3 ARG 83 2HD ARG 83 16.115 -8.057 4.648 596 HE ARG 83 HE ARG 83 15.073 -9.176 6.290 597 HH11 ARG 83 1HH1 ARG 83 16.833 -11.515 4.346 598 HH12 ARG 83 2HH1 ARG 83 16.617 -12.874 5.408 599 HH21 ARG 83 1HH2 ARG 83 14.807 -10.884 7.797 600 HH22 ARG 83 2HH2 ARG 83 15.340 -12.495 7.437 601 H ARG 84 H ARG 84 14.830 -12.123 -0.707 602 HA ARG 84 HA ARG 84 17.518 -11.946 -1.974 603 HB2 ARG 84 1HB ARG 84 17.482 -14.180 -2.306 604 HB3 ARG 84 2HB ARG 84 16.716 -13.975 -0.736 605 HG2 ARG 84 1HG ARG 84 14.484 -13.993 -2.337 606 HG3 ARG 84 2HG ARG 84 15.596 -14.913 -3.351 607 HD2 ARG 84 1HD ARG 84 16.117 -16.248 -1.195 608 HD3 ARG 84 2HD ARG 84 14.678 -15.492 -0.503 609 HE ARG 84 HE ARG 84 14.089 -16.600 -3.086 610 HH11 ARG 84 1HH1 ARG 84 14.688 -17.752 0.215 611 HH12 ARG 84 2HH1 ARG 84 13.840 -19.255 -0.015 612 HH21 ARG 84 1HH2 ARG 84 13.284 -18.550 -3.494 613 HH22 ARG 84 2HH2 ARG 84 13.110 -19.791 -2.285 614 H ASP 85 H ASP 85 14.399 -10.998 -2.707 615 HA ASP 85 HA ASP 85 14.029 -11.743 -5.400 616 HB2 ASP 85 1HB ASP 85 12.390 -10.592 -3.765 617 HB3 ASP 85 2HB ASP 85 13.298 -9.096 -4.149 618 H TYR 86 H TYR 86 14.384 -10.569 -7.388 619 HA TYR 86 HA TYR 86 16.875 -9.243 -7.624 620 HB2 TYR 86 1HB TYR 86 15.476 -10.504 -9.365 621 HB3 TYR 86 2HB TYR 86 14.504 -9.046 -9.531 622 HD1 TYR 86 2HD TYR 86 18.080 -10.129 -9.434 623 HD2 TYR 86 1HD TYR 86 15.202 -7.438 -11.176 624 HE1 TYR 86 2HE TYR 86 19.828 -9.220 -10.921 625 HE2 TYR 86 1HE TYR 86 16.947 -6.518 -12.658 626 HH TYR 86 HH TYR 86 19.518 -6.357 -12.550 627 H PHE 87 H PHE 87 13.527 -7.944 -7.441 628 HA PHE 87 HA PHE 87 14.465 -5.158 -7.698 629 HB2 PHE 87 1HB PHE 87 12.475 -5.661 -8.914 630 HB3 PHE 87 2HB PHE 87 11.777 -6.560 -7.589 631 HD1 PHE 87 2HD PHE 87 12.977 -3.030 -8.282 632 HD2 PHE 87 1HD PHE 87 10.067 -5.589 -6.392 633 HE1 PHE 87 2HE PHE 87 11.636 -1.051 -7.643 634 HE2 PHE 87 1HE PHE 87 8.752 -3.625 -5.724 635 HZ PHE 87 HZ PHE 87 9.489 -1.341 -6.401 636 H TRP 88 H TRP 88 12.497 -7.116 -5.397 637 HA TRP 88 HA TRP 88 12.214 -5.013 -3.607 638 HB2 TRP 88 1HB TRP 88 11.905 -7.981 -3.048 639 HB3 TRP 88 2HB TRP 88 11.510 -6.730 -1.911 640 HD1 TRP 88 HD TRP 88 10.156 -8.293 -5.140 641 HE1 TRP 88 1HE TRP 88 7.807 -7.478 -5.577 642 HE3 TRP 88 3HE TRP 88 9.982 -4.636 -1.579 643 HZ2 TRP 88 2HZ TRP 88 6.013 -5.517 -4.447 644 HZ3 TRP 88 3HZ TRP 88 7.944 -3.273 -1.297 645 HH2 TRP 88 HH TRP 88 5.924 -3.729 -2.693 646 H GLN 89 H GLN 89 15.165 -6.956 -3.811 647 HA GLN 89 HA GLN 89 16.429 -6.533 -1.420 648 HB2 GLN 89 1HB GLN 89 17.146 -6.388 -4.365 649 HB3 GLN 89 2HB GLN 89 18.317 -5.766 -3.209 650 HG2 GLN 89 1HG GLN 89 18.362 -7.861 -2.014 651 HG3 GLN 89 2HG GLN 89 17.139 -8.563 -3.037 652 HE21 GLN 89 1HE2 GLN 89 17.701 -9.162 -5.125 653 HE22 GLN 89 2HE2 GLN 89 19.303 -9.044 -5.842 654 H THR 90 H THR 90 15.912 -4.089 -4.007 655 HA THR 90 HA THR 90 17.505 -2.110 -2.800 656 HB THR 90 HB THR 90 16.578 -2.254 -5.154 657 HG1 THR 90 1HG THR 90 16.446 0.092 -5.283 658 HG21 THR 90 3HG2 THR 90 14.232 -0.672 -4.053 659 HG22 THR 90 1HG2 THR 90 14.152 -2.409 -4.410 660 HG23 THR 90 2HG2 THR 90 14.498 -1.257 -5.719 661 H TYR 91 H TYR 91 14.206 -3.036 -1.962 662 HA TYR 91 HA TYR 91 13.834 -0.637 -0.280 663 HB2 TYR 91 1HB TYR 91 11.997 -2.822 -1.286 664 HB3 TYR 91 2HB TYR 91 11.508 -1.743 0.001 665 HD1 TYR 91 1HD TYR 91 11.319 0.718 -0.321 666 HD2 TYR 91 2HD TYR 91 11.880 -2.029 -3.613 667 HE1 TYR 91 1HE TYR 91 10.501 2.437 -1.883 668 HE2 TYR 91 2HE TYR 91 11.075 -0.285 -5.169 669 HH TYR 91 HH TYR 91 10.237 2.994 -4.244 670 H ALA 92 H ALA 92 15.765 -3.063 0.448 671 HA ALA 92 HA ALA 92 14.490 -4.544 2.509 672 HB1 ALA 92 1HB ALA 92 16.790 -5.218 3.058 673 HB2 ALA 92 2HB ALA 92 16.458 -5.337 1.319 674 HB3 ALA 92 3HB ALA 92 17.431 -3.983 1.951 675 H ALA 93 H ALA 93 15.895 -1.340 2.414 676 HA ALA 93 HA ALA 93 16.293 -1.012 5.191 677 HB1 ALA 93 1HB ALA 93 17.212 0.543 3.398 678 HB2 ALA 93 2HB ALA 93 15.572 1.154 3.175 679 HB3 ALA 93 3HB ALA 93 16.389 1.375 4.722 680 H TRP 94 H TRP 94 13.339 -1.475 3.546 681 HA TRP 94 HA TRP 94 11.847 -0.273 5.818 682 HB2 TRP 94 1HB TRP 94 11.012 -0.334 2.903 683 HB3 TRP 94 2HB TRP 94 10.037 0.246 4.228 684 HD1 TRP 94 HD TRP 94 10.411 2.642 5.101 685 HE1 TRP 94 1HE TRP 94 11.588 4.733 4.068 686 HE3 TRP 94 3HE TRP 94 13.195 0.350 1.548 687 HZ2 TRP 94 2HZ TRP 94 13.827 5.219 2.357 688 HZ3 TRP 94 3HZ TRP 94 14.809 1.660 0.133 689 HH2 TRP 94 HH TRP 94 15.139 4.076 0.562 690 H ILE 95 H ILE 95 12.934 -3.132 5.240 691 HA ILE 95 HA ILE 95 10.290 -4.495 5.141 692 HB ILE 95 HB ILE 95 12.886 -5.215 3.820 693 HG12 ILE 95 1HG1 ILE 95 9.977 -5.144 2.850 694 HG13 ILE 95 2HG1 ILE 95 11.065 -3.772 2.728 695 HG21 ILE 95 1HG2 ILE 95 10.532 -7.109 4.266 696 HG22 ILE 95 2HG2 ILE 95 11.951 -7.423 3.240 697 HG23 ILE 95 3HG2 ILE 95 12.159 -7.274 4.971 698 HD11 ILE 95 3HD1 ILE 95 11.434 -6.420 1.296 699 HD12 ILE 95 1HD1 ILE 95 10.942 -4.870 0.598 700 HD13 ILE 95 2HD1 ILE 95 12.574 -5.050 1.258 701 H GLN 96 H GLN 96 9.716 -4.944 7.099 702 HA GLN 96 HA GLN 96 11.592 -6.356 8.910 703 HB2 GLN 96 1HB GLN 96 9.975 -5.321 10.705 704 HB3 GLN 96 2HB GLN 96 11.364 -4.404 10.114 705 HG2 GLN 96 1HG GLN 96 9.887 -3.100 8.659 706 HG3 GLN 96 2HG GLN 96 8.486 -4.049 9.204 707 HE21 GLN 96 1HE2 GLN 96 7.872 -3.902 11.549 708 HE22 GLN 96 2HE2 GLN 96 8.581 -2.633 12.522 709 HA PRO 97 HA PRO 97 8.503 -9.473 9.225 710 HB2 PRO 97 1HB PRO 97 8.479 -10.180 11.894 711 HB3 PRO 97 2HB PRO 97 9.754 -10.633 10.733 712 HG2 PRO 97 1HG PRO 97 9.739 -8.306 12.677 713 HG3 PRO 97 2HG PRO 97 11.051 -9.488 12.364 714 HD2 PRO 97 1HD PRO 97 11.081 -7.056 11.227 715 HD3 PRO 97 2HD PRO 97 11.603 -8.489 10.308 716 H MET 98 H MET 98 6.406 -9.998 10.076 717 HA MET 98 HA MET 98 4.692 -7.800 11.035 718 HB2 MET 98 1HB MET 98 4.210 -10.748 10.406 719 HB3 MET 98 2HB MET 98 2.994 -9.711 11.149 720 HG2 MET 98 1HG MET 98 3.525 -8.131 9.121 721 HG3 MET 98 2HG MET 98 4.033 -9.657 8.376 722 HE1 MET 98 3HE MET 98 0.799 -10.612 6.831 723 HE2 MET 98 1HE MET 98 2.413 -9.929 6.557 724 HE3 MET 98 2HE MET 98 2.231 -11.458 7.460 725 H GLU 99 H GLU 99 3.183 -8.596 12.880 726 HA GLU 99 HA GLU 99 4.752 -9.746 15.110 727 HB2 GLU 99 1HB GLU 99 3.360 -8.529 16.591 728 HB3 GLU 99 2HB GLU 99 4.071 -7.420 15.435 729 HG2 GLU 99 1HG GLU 99 1.758 -7.837 14.128 730 HG3 GLU 99 2HG GLU 99 1.193 -8.323 15.727 731 H GLN 100 H GLN 100 2.529 -10.348 16.693 732 HA GLN 100 HA GLN 100 1.310 -12.615 15.261 733 HB2 GLN 100 1HB GLN 100 2.117 -14.114 16.968 734 HB3 GLN 100 2HB GLN 100 3.472 -13.224 16.352 735 HG2 GLN 100 1HG GLN 100 4.006 -13.033 18.531 736 HG3 GLN 100 2HG GLN 100 2.937 -11.639 18.502 737 HE21 GLN 100 1HE2 GLN 100 0.713 -11.988 19.334 738 HE22 GLN 100 2HE2 GLN 100 0.354 -13.352 20.420 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -21.534 11.532 -10.853 2 HA2 GLY 1 1HA GLY 1 -18.900 10.974 -12.095 3 HA3 GLY 1 2HA GLY 1 -19.189 12.218 -10.853 4 H SER 2 H SER 2 -17.384 9.807 -10.738 5 HA SER 2 HA SER 2 -18.629 7.699 -9.368 6 HB2 SER 2 1HB SER 2 -15.699 8.522 -9.186 7 HB3 SER 2 2HB SER 2 -16.389 6.906 -9.017 8 HG SER 2 HG SER 2 -15.744 6.874 -11.006 9 H HIS 3 H HIS 3 -18.805 7.156 -7.210 10 HA HIS 3 HA HIS 3 -17.781 8.950 -5.120 11 HB2 HIS 3 1HB HIS 3 -20.017 9.119 -4.077 12 HB3 HIS 3 2HB HIS 3 -19.902 9.957 -5.614 13 HD1 HIS 3 1HD HIS 3 -21.313 6.575 -4.300 14 HD2 HIS 3 2HD HIS 3 -21.815 9.503 -7.299 15 HE1 HIS 3 1HE HIS 3 -23.466 5.973 -5.547 16 H GLU 4 H GLU 4 -16.883 6.437 -5.921 17 HA GLU 4 HA GLU 4 -17.212 5.009 -3.409 18 HB2 GLU 4 1HB GLU 4 -18.019 3.866 -6.079 19 HB3 GLU 4 2HB GLU 4 -16.927 2.876 -5.114 20 HG2 GLU 4 1HG GLU 4 -18.541 3.218 -3.143 21 HG3 GLU 4 2HG GLU 4 -19.690 3.823 -4.353 22 H GLY 5 H GLY 5 -15.282 4.210 -2.767 23 HA2 GLY 5 1HA GLY 5 -13.337 2.850 -3.649 24 HA3 GLY 5 2HA GLY 5 -12.972 4.275 -4.639 25 H GLU 6 H GLU 6 -13.492 3.202 -1.285 26 HA GLU 6 HA GLU 6 -12.126 5.444 -0.054 27 HB2 GLU 6 1HB GLU 6 -13.399 2.861 0.783 28 HB3 GLU 6 2HB GLU 6 -12.029 3.356 1.757 29 HG2 GLU 6 1HG GLU 6 -13.192 5.721 1.790 30 HG3 GLU 6 2HG GLU 6 -14.627 4.851 1.271 31 HA PRO 7 HA PRO 7 -7.946 4.014 -0.478 32 HB2 PRO 7 1HB PRO 7 -6.700 4.767 1.802 33 HB3 PRO 7 2HB PRO 7 -7.469 5.996 0.750 34 HG2 PRO 7 1HG PRO 7 -8.741 4.573 3.151 35 HG3 PRO 7 2HG PRO 7 -8.581 6.321 2.940 36 HD2 PRO 7 1HD PRO 7 -10.826 5.114 2.232 37 HD3 PRO 7 2HD PRO 7 -10.137 6.358 1.145 38 H VAL 8 H VAL 8 -9.123 1.798 -0.441 39 HA VAL 8 HA VAL 8 -7.966 0.090 1.703 40 HB VAL 8 HB VAL 8 -10.337 0.629 2.182 41 HG11 VAL 8 1HG1 VAL 8 -11.021 -0.964 -0.327 42 HG12 VAL 8 2HG1 VAL 8 -12.158 -0.337 0.892 43 HG13 VAL 8 3HG1 VAL 8 -11.242 0.780 -0.113 44 HG21 VAL 8 3HG2 VAL 8 -9.281 -1.437 3.005 45 HG22 VAL 8 1HG2 VAL 8 -11.011 -1.632 2.723 46 HG23 VAL 8 2HG2 VAL 8 -9.849 -2.309 1.559 47 H VAL 9 H VAL 9 -7.292 -1.974 0.998 48 HA VAL 9 HA VAL 9 -6.932 -2.196 -1.902 49 HB VAL 9 HB VAL 9 -5.783 -4.001 0.251 50 HG11 VAL 9 1HG1 VAL 9 -4.426 -4.850 -1.526 51 HG12 VAL 9 2HG1 VAL 9 -6.058 -4.867 -2.157 52 HG13 VAL 9 3HG1 VAL 9 -4.957 -3.571 -2.664 53 HG21 VAL 9 3HG2 VAL 9 -3.744 -2.839 -0.024 54 HG22 VAL 9 1HG2 VAL 9 -4.390 -1.770 -1.261 55 HG23 VAL 9 2HG2 VAL 9 -4.937 -1.648 0.431 56 H GLY 10 H GLY 10 -8.801 -2.675 -2.818 57 HA2 GLY 10 1HA GLY 10 -9.733 -5.452 -2.622 58 HA3 GLY 10 2HA GLY 10 -10.948 -4.176 -2.539 59 H MET 11 H MET 11 -8.412 -5.604 -4.436 60 HA MET 11 HA MET 11 -7.754 -5.679 -6.542 61 HB2 MET 11 1HB MET 11 -10.687 -5.192 -7.068 62 HB3 MET 11 2HB MET 11 -9.511 -5.753 -8.258 63 HG2 MET 11 1HG MET 11 -8.979 -7.654 -6.599 64 HG3 MET 11 2HG MET 11 -10.458 -7.175 -5.762 65 HE1 MET 11 3HE MET 11 -9.309 -7.543 -9.543 66 HE2 MET 11 1HE MET 11 -8.802 -9.034 -8.728 67 HE3 MET 11 2HE MET 11 -10.077 -9.081 -9.961 68 H ASP 12 H ASP 12 -9.105 -2.489 -5.847 69 HA ASP 12 HA ASP 12 -8.067 -1.577 -8.476 70 HB2 ASP 12 1HB ASP 12 -10.436 -1.156 -7.978 71 HB3 ASP 12 2HB ASP 12 -9.951 -0.086 -6.650 72 H LYS 13 H LYS 13 -5.959 -1.109 -8.281 73 HA LYS 13 HA LYS 13 -4.805 0.010 -5.845 74 HB2 LYS 13 1HB LYS 13 -3.731 -0.832 -8.536 75 HB3 LYS 13 2HB LYS 13 -2.686 0.005 -7.408 76 HG2 LYS 13 1HG LYS 13 -4.134 -2.579 -6.739 77 HG3 LYS 13 2HG LYS 13 -2.467 -2.394 -7.338 78 HD2 LYS 13 1HD LYS 13 -1.744 -1.244 -5.393 79 HD3 LYS 13 2HD LYS 13 -3.384 -1.220 -4.719 80 HE2 LYS 13 1HE LYS 13 -1.968 -2.944 -3.676 81 HE3 LYS 13 2HE LYS 13 -3.394 -3.619 -4.482 82 HZ1 LYS 13 3HZ LYS 13 -2.103 -4.417 -6.216 83 HZ2 LYS 13 1HZ LYS 13 -1.251 -4.832 -4.882 84 HZ3 LYS 13 2HZ LYS 13 -0.769 -3.578 -5.831 85 H SER 14 H SER 14 -6.818 1.753 -7.213 86 HA SER 14 HA SER 14 -5.054 4.070 -7.794 87 HB2 SER 14 1HB SER 14 -7.097 4.443 -9.540 88 HB3 SER 14 2HB SER 14 -5.575 3.662 -9.906 89 HG SER 14 HG SER 14 -7.993 2.322 -9.212 90 H LEU 15 H LEU 15 -6.425 3.350 -5.310 91 HA LEU 15 HA LEU 15 -8.339 5.633 -5.039 92 HB2 LEU 15 1HB LEU 15 -8.241 2.940 -3.611 93 HB3 LEU 15 2HB LEU 15 -9.420 4.212 -3.325 94 HG LEU 15 HG LEU 15 -9.092 2.723 -5.954 95 HD11 LEU 15 1HD1 LEU 15 -11.279 1.687 -5.314 96 HD12 LEU 15 2HD1 LEU 15 -11.089 2.404 -3.690 97 HD13 LEU 15 3HD1 LEU 15 -9.915 1.227 -4.283 98 HD21 LEU 15 3HD2 LEU 15 -9.965 4.863 -6.495 99 HD22 LEU 15 1HD2 LEU 15 -10.959 4.942 -5.042 100 HD23 LEU 15 2HD2 LEU 15 -11.390 3.839 -6.366 101 H PHE 16 H PHE 16 -5.224 5.022 -4.213 102 HA PHE 16 HA PHE 16 -5.530 5.192 -1.299 103 HB2 PHE 16 1HB PHE 16 -3.049 4.788 -3.016 104 HB3 PHE 16 2HB PHE 16 -3.122 4.723 -1.259 105 HD1 PHE 16 2HD PHE 16 -4.638 3.115 -4.342 106 HD2 PHE 16 1HD PHE 16 -3.693 2.784 -0.166 107 HE1 PHE 16 2HE PHE 16 -5.797 0.930 -4.247 108 HE2 PHE 16 1HE PHE 16 -4.693 0.521 -0.119 109 HZ PHE 16 HZ PHE 16 -5.838 -0.368 -2.168 110 H ALA 17 H ALA 17 -4.301 7.173 -3.928 111 HA ALA 17 HA ALA 17 -2.965 9.169 -2.425 112 HB1 ALA 17 1HB ALA 17 -3.178 10.369 -4.699 113 HB2 ALA 17 2HB ALA 17 -2.428 8.770 -4.770 114 HB3 ALA 17 3HB ALA 17 -4.131 8.992 -5.243 115 H GLY 18 H GLY 18 -5.755 8.597 -1.736 116 HA2 GLY 18 1HA GLY 18 -7.006 11.294 -2.019 117 HA3 GLY 18 2HA GLY 18 -7.929 9.797 -1.967 118 H ASN 19 H ASN 19 -5.838 8.983 0.399 119 HA ASN 19 HA ASN 19 -7.292 10.588 2.463 120 HB2 ASN 19 1HB ASN 19 -8.028 8.258 2.217 121 HB3 ASN 19 2HB ASN 19 -6.394 7.714 2.713 122 HD21 ASN 19 1HD2 ASN 19 -7.451 6.691 4.733 123 HD22 ASN 19 2HD2 ASN 19 -7.942 7.778 6.003 124 H THR 20 H THR 20 -5.977 12.054 3.358 125 HA THR 20 HA THR 20 -3.126 11.831 3.148 126 HB THR 20 HB THR 20 -3.403 14.184 4.195 127 HG1 THR 20 1HG THR 20 -5.495 14.989 4.231 128 HG21 THR 20 3HG2 THR 20 -3.321 13.612 1.742 129 HG22 THR 20 1HG2 THR 20 -4.211 15.111 2.122 130 HG23 THR 20 2HG2 THR 20 -5.090 13.620 1.710 131 H VAL 21 H VAL 21 -4.804 10.171 5.294 132 HA VAL 21 HA VAL 21 -3.006 10.741 7.578 133 HB VAL 21 HB VAL 21 -5.127 12.022 7.734 134 HG11 VAL 21 1HG1 VAL 21 -7.186 10.908 8.387 135 HG12 VAL 21 2HG1 VAL 21 -6.676 10.363 6.790 136 HG13 VAL 21 3HG1 VAL 21 -6.428 9.311 8.200 137 HG21 VAL 21 3HG2 VAL 21 -5.472 11.604 10.092 138 HG22 VAL 21 1HG2 VAL 21 -4.647 10.053 9.988 139 HG23 VAL 21 2HG2 VAL 21 -3.747 11.552 9.691 140 H ILE 22 H ILE 22 -4.038 8.363 5.436 141 HA ILE 22 HA ILE 22 -4.413 6.210 7.318 142 HB ILE 22 HB ILE 22 -5.509 6.220 5.170 143 HG12 ILE 22 1HG1 ILE 22 -3.545 3.918 5.321 144 HG13 ILE 22 2HG1 ILE 22 -4.930 4.120 6.385 145 HG21 ILE 22 1HG2 ILE 22 -4.499 5.976 3.033 146 HG22 ILE 22 2HG2 ILE 22 -3.619 7.283 3.806 147 HG23 ILE 22 3HG2 ILE 22 -2.896 5.679 3.729 148 HD11 ILE 22 3HD1 ILE 22 -6.449 4.164 4.399 149 HD12 ILE 22 1HD1 ILE 22 -5.052 3.789 3.364 150 HD13 ILE 22 2HD1 ILE 22 -5.573 2.625 4.599 151 H ARG 23 H ARG 23 -2.728 5.885 8.654 152 HA ARG 23 HA ARG 23 0.013 6.169 7.689 153 HB2 ARG 23 1HB ARG 23 -0.933 5.076 10.372 154 HB3 ARG 23 2HB ARG 23 0.697 5.601 9.932 155 HG2 ARG 23 1HG ARG 23 -0.346 7.892 9.411 156 HG3 ARG 23 2HG ARG 23 -1.796 7.317 10.246 157 HD2 ARG 23 1HD ARG 23 -0.496 7.010 12.309 158 HD3 ARG 23 2HD ARG 23 0.989 7.493 11.487 159 HE ARG 23 HE ARG 23 -1.298 9.178 12.274 160 HH11 ARG 23 1HH1 ARG 23 1.961 9.150 10.778 161 HH12 ARG 23 2HH1 ARG 23 1.837 10.748 10.141 162 HH21 ARG 23 1HH2 ARG 23 -1.366 11.424 11.522 163 HH22 ARG 23 2HH2 ARG 23 -0.033 12.042 10.623 164 H GLU 24 H GLU 24 -2.275 3.677 7.485 165 HA GLU 24 HA GLU 24 -0.203 1.556 7.395 166 HB2 GLU 24 1HB GLU 24 -2.544 1.763 9.307 167 HB3 GLU 24 2HB GLU 24 -1.961 0.178 8.798 168 HG2 GLU 24 1HG GLU 24 0.138 0.421 9.770 169 HG3 GLU 24 2HG GLU 24 0.006 2.187 9.906 170 H ILE 25 H ILE 25 -0.526 0.325 5.679 171 HA ILE 25 HA ILE 25 -3.262 -0.004 4.513 172 HB ILE 25 HB ILE 25 -0.637 0.756 3.203 173 HG12 ILE 25 1HG1 ILE 25 -3.375 2.085 3.024 174 HG13 ILE 25 2HG1 ILE 25 -2.113 2.558 4.156 175 HG21 ILE 25 1HG2 ILE 25 -1.618 -0.985 1.804 176 HG22 ILE 25 2HG2 ILE 25 -3.195 -0.174 1.815 177 HG23 ILE 25 3HG2 ILE 25 -1.798 0.550 0.987 178 HD11 ILE 25 3HD1 ILE 25 -0.570 2.950 2.238 179 HD12 ILE 25 1HD1 ILE 25 -1.941 2.748 1.141 180 HD13 ILE 25 2HD1 ILE 25 -1.952 4.062 2.327 181 H THR 26 H THR 26 -3.636 -2.099 5.129 182 HA THR 26 HA THR 26 -1.656 -4.209 4.702 183 HB THR 26 HB THR 26 -4.682 -4.407 5.065 184 HG1 THR 26 1HG THR 26 -3.689 -3.434 6.876 185 HG21 THR 26 3HG2 THR 26 -2.414 -6.449 5.311 186 HG22 THR 26 1HG2 THR 26 -3.748 -6.474 4.128 187 HG23 THR 26 2HG2 THR 26 -4.085 -6.734 5.834 188 H VAL 27 H VAL 27 -1.438 -5.464 2.822 189 HA VAL 27 HA VAL 27 -3.303 -5.093 0.559 190 HB VAL 27 HB VAL 27 -0.313 -5.379 0.126 191 HG11 VAL 27 1HG1 VAL 27 -0.796 -4.163 -1.966 192 HG12 VAL 27 2HG1 VAL 27 -1.830 -5.574 -1.840 193 HG13 VAL 27 3HG1 VAL 27 -2.463 -3.945 -1.501 194 HG21 VAL 27 3HG2 VAL 27 -1.718 -2.728 0.548 195 HG22 VAL 27 1HG2 VAL 27 -0.380 -3.380 1.525 196 HG23 VAL 27 2HG2 VAL 27 -0.087 -2.924 -0.150 197 H GLN 28 H GLN 28 -2.943 -6.985 -1.071 198 HA GLN 28 HA GLN 28 -1.994 -9.417 0.249 199 HB2 GLN 28 1HB GLN 28 -4.000 -10.378 -1.326 200 HB3 GLN 28 2HB GLN 28 -4.147 -10.045 0.381 201 HG2 GLN 28 1HG GLN 28 -5.126 -7.791 -0.233 202 HG3 GLN 28 2HG GLN 28 -5.117 -8.359 -1.926 203 HE21 GLN 28 1HE2 GLN 28 -6.446 -8.813 1.334 204 HE22 GLN 28 2HE2 GLN 28 -7.656 -10.004 0.904 205 HA PRO 29 HA PRO 29 0.255 -9.910 -3.538 206 HB2 PRO 29 1HB PRO 29 0.071 -12.592 -4.179 207 HB3 PRO 29 2HB PRO 29 1.090 -11.909 -2.878 208 HG2 PRO 29 1HG PRO 29 -1.505 -13.359 -2.696 209 HG3 PRO 29 2HG PRO 29 -0.171 -13.314 -1.514 210 HD2 PRO 29 1HD PRO 29 -2.562 -11.871 -1.381 211 HD3 PRO 29 2HD PRO 29 -1.122 -11.480 -0.434 212 H ASN 30 H ASN 30 0.127 -10.389 -5.846 213 HA ASN 30 HA ASN 30 -0.812 -9.964 -7.858 214 HB2 ASN 30 1HB ASN 30 -2.635 -12.189 -6.900 215 HB3 ASN 30 2HB ASN 30 -2.516 -11.654 -8.567 216 HD21 ASN 30 1HD2 ASN 30 -1.922 -14.275 -7.318 217 HD22 ASN 30 2HD2 ASN 30 -0.358 -14.707 -7.944 218 H ILE 31 H ILE 31 -2.191 -8.352 -5.560 219 HA ILE 31 HA ILE 31 -4.897 -8.077 -6.640 220 HB ILE 31 HB ILE 31 -4.419 -8.457 -4.268 221 HG12 ILE 31 1HG1 ILE 31 -6.011 -6.589 -3.453 222 HG13 ILE 31 2HG1 ILE 31 -6.127 -6.109 -5.142 223 HG21 ILE 31 1HG2 ILE 31 -3.603 -6.849 -2.830 224 HG22 ILE 31 2HG2 ILE 31 -2.532 -6.710 -4.253 225 HG23 ILE 31 3HG2 ILE 31 -3.822 -5.529 -3.982 226 HD11 ILE 31 3HD1 ILE 31 -7.952 -7.623 -4.427 227 HD12 ILE 31 1HD1 ILE 31 -6.948 -8.426 -5.661 228 HD13 ILE 31 2HD1 ILE 31 -6.753 -8.838 -3.937 229 H GLY 32 H GLY 32 -3.474 -7.258 -8.626 230 HA2 GLY 32 1HA GLY 32 -3.746 -5.473 -10.120 231 HA3 GLY 32 2HA GLY 32 -4.183 -4.413 -8.789 232 H LEU 33 H LEU 33 -2.299 -3.876 -10.983 233 HA LEU 33 HA LEU 33 0.389 -4.192 -10.004 234 HB2 LEU 33 1HB LEU 33 -0.111 -3.951 -12.399 235 HB3 LEU 33 2HB LEU 33 -0.732 -2.320 -12.122 236 HG LEU 33 HG LEU 33 1.549 -1.558 -11.400 237 HD11 LEU 33 1HD1 LEU 33 2.646 -3.383 -10.468 238 HD12 LEU 33 2HD1 LEU 33 3.475 -3.131 -11.986 239 HD13 LEU 33 3HD1 LEU 33 2.299 -4.451 -11.850 240 HD21 LEU 33 3HD2 LEU 33 1.317 -2.966 -14.074 241 HD22 LEU 33 1HD2 LEU 33 2.595 -1.795 -13.664 242 HD23 LEU 33 2HD2 LEU 33 0.902 -1.285 -13.687 243 H LEU 34 H LEU 34 1.654 -2.818 -8.884 244 HA LEU 34 HA LEU 34 0.615 -0.273 -7.774 245 HB2 LEU 34 1HB LEU 34 2.978 -2.112 -7.304 246 HB3 LEU 34 2HB LEU 34 2.960 -0.486 -6.644 247 HG LEU 34 HG LEU 34 0.444 -2.004 -6.173 248 HD11 LEU 34 1HD1 LEU 34 2.978 -3.021 -4.885 249 HD12 LEU 34 2HD1 LEU 34 2.014 -3.899 -6.092 250 HD13 LEU 34 3HD1 LEU 34 1.311 -3.529 -4.517 251 HD21 LEU 34 3HD2 LEU 34 2.393 -0.749 -4.237 252 HD22 LEU 34 1HD2 LEU 34 0.688 -1.189 -3.923 253 HD23 LEU 34 2HD2 LEU 34 1.100 0.132 -5.053 254 H TYR 35 H TYR 35 0.623 1.155 -9.514 255 HA TYR 35 HA TYR 35 2.913 1.322 -11.339 256 HB2 TYR 35 1HB TYR 35 1.732 3.289 -12.223 257 HB3 TYR 35 2HB TYR 35 0.808 1.815 -12.299 258 HD1 TYR 35 1HD TYR 35 -1.198 1.455 -10.864 259 HD2 TYR 35 2HD TYR 35 0.906 5.221 -10.964 260 HE1 TYR 35 1HE TYR 35 -3.167 2.581 -9.895 261 HE2 TYR 35 2HE TYR 35 -1.055 6.354 -10.003 262 HH TYR 35 HH TYR 35 -3.177 5.611 -8.492 263 H ASP 36 H ASP 36 4.039 3.577 -11.454 264 HA ASP 36 HA ASP 36 4.868 4.324 -8.721 265 HB2 ASP 36 1HB ASP 36 6.505 5.811 -9.883 266 HB3 ASP 36 2HB ASP 36 6.744 4.086 -10.061 267 H GLY 37 H GLY 37 4.247 6.150 -7.727 268 HA2 GLY 37 1HA GLY 37 3.399 8.313 -7.529 269 HA3 GLY 37 2HA GLY 37 2.759 8.255 -9.170 270 H MET 38 H MET 38 1.850 5.278 -7.801 271 HA MET 38 HA MET 38 -0.799 5.618 -7.532 272 HB2 MET 38 1HB MET 38 0.792 3.581 -7.615 273 HB3 MET 38 2HB MET 38 0.926 3.725 -5.845 274 HG2 MET 38 1HG MET 38 -1.635 3.614 -7.331 275 HG3 MET 38 2HG MET 38 -0.793 2.128 -6.892 276 HE1 MET 38 3HE MET 38 -0.811 1.009 -4.555 277 HE2 MET 38 1HE MET 38 -2.327 1.209 -3.646 278 HE3 MET 38 2HE MET 38 -2.369 0.878 -5.393 279 H PHE 39 H PHE 39 1.692 6.029 -5.012 280 HA PHE 39 HA PHE 39 -0.387 6.651 -3.006 281 HB2 PHE 39 1HB PHE 39 2.612 6.270 -2.726 282 HB3 PHE 39 2HB PHE 39 1.484 6.510 -1.401 283 HD1 PHE 39 2HD PHE 39 -0.528 4.835 -1.202 284 HD2 PHE 39 1HD PHE 39 3.098 4.037 -3.390 285 HE1 PHE 39 2HE PHE 39 -0.973 2.408 -1.051 286 HE2 PHE 39 1HE PHE 39 2.695 1.633 -3.215 287 HZ PHE 39 HZ PHE 39 0.638 0.779 -2.033 288 H SER 40 H SER 40 0.727 8.615 -5.291 289 HA SER 40 HA SER 40 2.166 10.660 -3.955 290 HB2 SER 40 1HB SER 40 1.914 10.216 -6.451 291 HB3 SER 40 2HB SER 40 0.357 11.055 -6.357 292 HG SER 40 HG SER 40 2.477 12.158 -6.908 293 H GLY 41 H GLY 41 1.550 11.840 -2.280 294 HA2 GLY 41 1HA GLY 41 0.164 13.526 -1.344 295 HA3 GLY 41 2HA GLY 41 -1.235 12.888 -2.195 296 H CYS 42 H CYS 42 0.344 10.200 -0.898 297 HA CYS 42 HA CYS 42 -1.453 9.965 1.424 298 HB2 CYS 42 1HB CYS 42 0.848 8.197 0.507 299 HB3 CYS 42 2HB CYS 42 -0.312 7.829 1.789 300 HG CYS 42 HG CYS 42 -0.835 8.405 -1.386 301 H THR 43 H THR 43 -0.541 12.128 2.163 302 HA THR 43 HA THR 43 2.151 12.385 2.950 303 HB THR 43 HB THR 43 1.127 14.582 3.901 304 HG1 THR 43 1HG THR 43 -0.946 15.004 3.235 305 HG21 THR 43 3HG2 THR 43 0.861 13.729 0.981 306 HG22 THR 43 1HG2 THR 43 2.213 14.561 1.752 307 HG23 THR 43 2HG2 THR 43 0.654 15.388 1.540 308 H ALA 44 H ALA 44 0.105 10.374 4.535 309 HA ALA 44 HA ALA 44 1.672 10.815 7.038 310 HB1 ALA 44 1HB ALA 44 -0.261 10.041 8.326 311 HB2 ALA 44 2HB ALA 44 -0.714 11.461 7.390 312 HB3 ALA 44 3HB ALA 44 -1.189 9.833 6.832 313 H LEU 45 H LEU 45 1.712 8.851 4.440 314 HA LEU 45 HA LEU 45 1.102 6.286 5.583 315 HB2 LEU 45 1HB LEU 45 1.489 7.137 3.082 316 HB3 LEU 45 2HB LEU 45 3.103 6.565 3.310 317 HG LEU 45 HG LEU 45 0.607 5.102 3.832 318 HD11 LEU 45 1HD1 LEU 45 1.291 3.879 1.494 319 HD12 LEU 45 2HD1 LEU 45 2.005 5.473 1.261 320 HD13 LEU 45 3HD1 LEU 45 0.282 5.348 1.593 321 HD21 LEU 45 3HD2 LEU 45 2.491 3.084 3.412 322 HD22 LEU 45 1HD2 LEU 45 0.926 3.137 4.176 323 HD23 LEU 45 2HD2 LEU 45 2.243 3.884 5.018 324 H GLU 46 H GLU 46 2.221 5.299 7.226 325 HA GLU 46 HA GLU 46 5.188 5.611 7.273 326 HB2 GLU 46 1HB GLU 46 3.412 5.356 9.727 327 HB3 GLU 46 2HB GLU 46 5.171 5.581 9.668 328 HG2 GLU 46 1HG GLU 46 4.694 7.771 8.393 329 HG3 GLU 46 2HG GLU 46 3.024 7.574 8.921 330 H LYS 47 H LYS 47 2.546 3.333 7.060 331 HA LYS 47 HA LYS 47 4.435 1.091 7.357 332 HB2 LYS 47 1HB LYS 47 2.388 1.958 9.294 333 HB3 LYS 47 2HB LYS 47 2.005 0.365 8.680 334 HG2 LYS 47 1HG LYS 47 4.747 1.061 9.783 335 HG3 LYS 47 2HG LYS 47 3.414 0.482 10.780 336 HD2 LYS 47 1HD LYS 47 3.624 -1.280 8.491 337 HD3 LYS 47 2HD LYS 47 5.231 -1.088 9.169 338 HE2 LYS 47 1HE LYS 47 2.841 -1.635 10.953 339 HE3 LYS 47 2HE LYS 47 3.573 -2.963 10.053 340 HZ1 LYS 47 3HZ LYS 47 5.056 -1.247 11.944 341 HZ2 LYS 47 1HZ LYS 47 5.619 -2.608 11.177 342 HZ3 LYS 47 2HZ LYS 47 4.440 -2.728 12.295 343 H LEU 48 H LEU 48 3.889 -0.687 6.139 344 HA LEU 48 HA LEU 48 1.260 -0.923 4.837 345 HB2 LEU 48 1HB LEU 48 2.865 0.308 3.354 346 HB3 LEU 48 2HB LEU 48 4.001 -1.019 3.495 347 HG LEU 48 HG LEU 48 1.479 -2.141 2.626 348 HD11 LEU 48 1HD1 LEU 48 0.981 0.213 1.865 349 HD12 LEU 48 2HD1 LEU 48 1.047 -0.970 0.562 350 HD13 LEU 48 3HD1 LEU 48 2.415 0.149 0.843 351 HD21 LEU 48 3HD2 LEU 48 2.728 -2.815 0.688 352 HD22 LEU 48 1HD2 LEU 48 3.683 -3.079 2.157 353 HD23 LEU 48 2HD2 LEU 48 4.047 -1.704 1.084 354 H ILE 49 H ILE 49 0.712 -3.177 4.584 355 HA ILE 49 HA ILE 49 2.671 -5.151 5.661 356 HB ILE 49 HB ILE 49 -0.293 -5.065 6.387 357 HG12 ILE 49 1HG1 ILE 49 0.982 -4.784 8.775 358 HG13 ILE 49 2HG1 ILE 49 2.108 -3.894 7.771 359 HG21 ILE 49 1HG2 ILE 49 0.365 -6.824 8.021 360 HG22 ILE 49 2HG2 ILE 49 0.610 -7.338 6.365 361 HG23 ILE 49 3HG2 ILE 49 2.006 -6.823 7.350 362 HD11 ILE 49 3HD1 ILE 49 0.421 -2.413 8.789 363 HD12 ILE 49 1HD1 ILE 49 0.216 -2.407 7.029 364 HD13 ILE 49 2HD1 ILE 49 -0.887 -3.353 8.050 365 H LEU 50 H LEU 50 2.618 -7.128 4.647 366 HA LEU 50 HA LEU 50 0.979 -7.275 2.153 367 HB2 LEU 50 1HB LEU 50 3.865 -8.137 2.678 368 HB3 LEU 50 2HB LEU 50 2.999 -8.389 1.183 369 HG LEU 50 HG LEU 50 3.891 -5.725 2.370 370 HD11 LEU 50 1HD1 LEU 50 5.616 -6.996 1.155 371 HD12 LEU 50 2HD1 LEU 50 5.167 -5.530 0.287 372 HD13 LEU 50 3HD1 LEU 50 4.554 -7.115 -0.261 373 HD21 LEU 50 3HD2 LEU 50 1.967 -6.292 0.116 374 HD22 LEU 50 1HD2 LEU 50 2.978 -4.856 0.080 375 HD23 LEU 50 2HD2 LEU 50 1.836 -5.097 1.413 376 H THR 51 H THR 51 -0.568 -8.769 2.580 377 HA THR 51 HA THR 51 -0.133 -11.039 4.323 378 HB THR 51 HB THR 51 -2.489 -11.526 3.926 379 HG1 THR 51 1HG THR 51 -2.452 -9.307 2.169 380 HG21 THR 51 3HG2 THR 51 -2.213 -8.515 3.967 381 HG22 THR 51 1HG2 THR 51 -1.882 -9.521 5.408 382 HG23 THR 51 2HG2 THR 51 -3.508 -9.478 4.676 383 H GLY 52 H GLY 52 1.781 -11.359 2.301 384 HA2 GLY 52 1HA GLY 52 0.901 -13.890 1.093 385 HA3 GLY 52 2HA GLY 52 1.368 -12.643 -0.062 386 H GLU 53 H GLU 53 2.687 -15.147 0.333 387 HA GLU 53 HA GLU 53 4.878 -14.618 2.182 388 HB2 GLU 53 1HB GLU 53 4.875 -16.866 2.764 389 HB3 GLU 53 2HB GLU 53 3.201 -16.309 2.722 390 HG2 GLU 53 1HG GLU 53 3.522 -17.091 0.143 391 HG3 GLU 53 2HG GLU 53 4.690 -18.157 0.922 392 H ASP 54 H ASP 54 4.633 -14.509 -1.157 393 HA ASP 54 HA ASP 54 7.492 -15.064 -1.327 394 HB2 ASP 54 1HB ASP 54 7.118 -16.556 -2.882 395 HB3 ASP 54 2HB ASP 54 5.486 -16.667 -2.309 396 HA PRO 55 HA PRO 55 7.476 -11.000 -2.976 397 HB2 PRO 55 1HB PRO 55 9.967 -10.882 -4.134 398 HB3 PRO 55 2HB PRO 55 9.687 -10.916 -2.374 399 HG2 PRO 55 1HG PRO 55 10.481 -13.164 -4.226 400 HG3 PRO 55 2HG PRO 55 11.082 -12.829 -2.590 401 HD2 PRO 55 1HD PRO 55 9.153 -14.706 -3.142 402 HD3 PRO 55 2HD PRO 55 9.228 -13.805 -1.599 403 H SER 56 H SER 56 7.735 -13.582 -5.372 404 HA SER 56 HA SER 56 7.808 -11.806 -7.725 405 HB2 SER 56 1HB SER 56 7.208 -14.749 -7.293 406 HB3 SER 56 2HB SER 56 6.782 -13.954 -8.812 407 HG SER 56 HG SER 56 9.418 -13.760 -7.773 408 H ALA 57 H ALA 57 5.372 -13.344 -5.647 409 HA ALA 57 HA ALA 57 3.136 -12.580 -7.275 410 HB1 ALA 57 1HB ALA 57 3.317 -13.408 -4.349 411 HB2 ALA 57 2HB ALA 57 1.816 -13.355 -5.313 412 HB3 ALA 57 3HB ALA 57 3.100 -14.494 -5.721 413 H TYR 58 H TYR 58 5.069 -10.351 -5.954 414 HA TYR 58 HA TYR 58 2.815 -8.502 -5.383 415 HB2 TYR 58 1HB TYR 58 5.350 -8.965 -3.793 416 HB3 TYR 58 2HB TYR 58 4.672 -7.361 -3.907 417 HD1 TYR 58 2HD TYR 58 2.298 -6.899 -3.280 418 HD2 TYR 58 1HD TYR 58 4.271 -10.598 -2.329 419 HE1 TYR 58 2HE TYR 58 0.649 -7.292 -1.465 420 HE2 TYR 58 1HE TYR 58 2.645 -11.021 -0.574 421 HH TYR 58 HH TYR 58 0.806 -10.287 0.494 422 H SER 59 H SER 59 2.821 -6.752 -6.678 423 HA SER 59 HA SER 59 4.943 -6.498 -8.640 424 HB2 SER 59 1HB SER 59 2.654 -4.585 -8.488 425 HB3 SER 59 2HB SER 59 3.314 -5.475 -9.876 426 HG SER 59 HG SER 59 2.158 -7.223 -9.313 427 H ALA 60 H ALA 60 5.796 -4.336 -9.177 428 HA ALA 60 HA ALA 60 4.846 -2.000 -7.957 429 HB1 ALA 60 1HB ALA 60 7.741 -2.696 -7.300 430 HB2 ALA 60 2HB ALA 60 6.944 -1.135 -7.040 431 HB3 ALA 60 3HB ALA 60 6.432 -2.563 -6.118 432 H GLY 61 H GLY 61 5.950 -0.106 -8.937 433 HA2 GLY 61 1HA GLY 61 7.313 -0.590 -11.521 434 HA3 GLY 61 2HA GLY 61 6.575 0.927 -10.930 435 H ASP 62 H ASP 62 8.902 1.493 -11.582 436 HA ASP 62 HA ASP 62 11.233 0.677 -10.256 437 HB2 ASP 62 1HB ASP 62 10.960 2.049 -12.338 438 HB3 ASP 62 2HB ASP 62 10.436 3.402 -11.360 439 H GLY 63 H GLY 63 8.925 3.222 -9.592 440 HA2 GLY 63 1HA GLY 63 10.001 3.799 -6.911 441 HA3 GLY 63 2HA GLY 63 9.038 4.886 -7.954 442 H LEU 64 H LEU 64 8.950 1.827 -6.179 443 HA LEU 64 HA LEU 64 6.185 1.264 -6.111 444 HB2 LEU 64 1HB LEU 64 7.733 -0.286 -5.196 445 HB3 LEU 64 2HB LEU 64 8.354 0.885 -4.036 446 HG LEU 64 HG LEU 64 6.257 0.857 -2.770 447 HD11 LEU 64 1HD1 LEU 64 5.250 -1.170 -4.812 448 HD12 LEU 64 2HD1 LEU 64 4.591 0.451 -4.546 449 HD13 LEU 64 3HD1 LEU 64 4.474 -0.768 -3.268 450 HD21 LEU 64 3HD2 LEU 64 7.963 -0.778 -2.222 451 HD22 LEU 64 1HD2 LEU 64 7.350 -1.880 -3.459 452 HD23 LEU 64 2HD2 LEU 64 6.351 -1.510 -2.023 453 H ARG 65 H ARG 65 8.029 3.095 -3.696 454 HA ARG 65 HA ARG 65 5.574 4.171 -2.495 455 HB2 ARG 65 1HB ARG 65 7.118 4.958 -0.718 456 HB3 ARG 65 2HB ARG 65 7.235 3.241 -1.015 457 HG2 ARG 65 1HG ARG 65 9.414 3.369 -1.401 458 HG3 ARG 65 2HG ARG 65 9.214 4.525 -2.713 459 HD2 ARG 65 1HD ARG 65 9.303 5.298 0.226 460 HD3 ARG 65 2HD ARG 65 10.706 5.209 -0.830 461 HE ARG 65 HE ARG 65 8.540 6.919 -1.838 462 HH11 ARG 65 1HH1 ARG 65 11.165 6.981 0.485 463 HH12 ARG 65 2HH1 ARG 65 11.872 8.462 -0.108 464 HH21 ARG 65 1HH2 ARG 65 9.380 9.046 -2.555 465 HH22 ARG 65 2HH2 ARG 65 10.643 9.739 -1.634 466 H ASP 66 H ASP 66 6.741 5.139 -5.235 467 HA ASP 66 HA ASP 66 7.758 7.755 -4.960 468 HB2 ASP 66 1HB ASP 66 7.675 6.432 -7.052 469 HB3 ASP 66 2HB ASP 66 5.920 6.637 -7.104 470 H GLY 67 H GLY 67 6.841 9.595 -4.255 471 HA2 GLY 67 1HA GLY 67 5.224 11.230 -4.013 472 HA3 GLY 67 2HA GLY 67 3.994 10.080 -4.531 473 H ALA 68 H ALA 68 5.801 8.567 -2.138 474 HA ALA 68 HA ALA 68 4.693 9.824 0.242 475 HB1 ALA 68 1HB ALA 68 4.176 6.874 -0.398 476 HB2 ALA 68 2HB ALA 68 3.746 7.720 1.111 477 HB3 ALA 68 3HB ALA 68 2.939 8.156 -0.401 478 H ASP 69 H ASP 69 5.618 7.828 2.041 479 HA ASP 69 HA ASP 69 7.988 6.547 1.231 480 HB2 ASP 69 1HB ASP 69 9.098 8.733 1.359 481 HB3 ASP 69 2HB ASP 69 8.398 9.024 2.947 482 H PHE 70 H PHE 70 7.225 4.734 2.281 483 HA PHE 70 HA PHE 70 6.358 4.954 5.109 484 HB2 PHE 70 1HB PHE 70 4.303 3.615 4.480 485 HB3 PHE 70 2HB PHE 70 4.426 5.022 3.643 486 HD1 PHE 70 1HD PHE 70 5.517 1.394 3.107 487 HD2 PHE 70 2HD PHE 70 4.251 5.136 1.337 488 HE1 PHE 70 1HE PHE 70 5.297 0.316 0.900 489 HE2 PHE 70 2HE PHE 70 3.988 4.024 -0.845 490 HZ PHE 70 HZ PHE 70 4.531 1.603 -1.076 491 H LEU 71 H LEU 71 6.153 2.754 6.014 492 HA LEU 71 HA LEU 71 8.615 1.161 5.442 493 HB2 LEU 71 1HB LEU 71 7.898 2.177 7.721 494 HB3 LEU 71 2HB LEU 71 6.658 0.936 7.756 495 HG LEU 71 HG LEU 71 8.588 -0.778 7.609 496 HD11 LEU 71 1HD1 LEU 71 10.174 1.753 8.315 497 HD12 LEU 71 2HD1 LEU 71 10.355 0.801 6.831 498 HD13 LEU 71 3HD1 LEU 71 10.792 0.091 8.379 499 HD21 LEU 71 3HD2 LEU 71 8.108 1.129 9.935 500 HD22 LEU 71 1HD2 LEU 71 9.091 -0.327 10.104 501 HD23 LEU 71 2HD2 LEU 71 7.389 -0.463 9.657 502 H ILE 72 H ILE 72 8.484 -1.151 5.231 503 HA ILE 72 HA ILE 72 5.813 -2.244 4.453 504 HB ILE 72 HB ILE 72 8.539 -2.724 3.254 505 HG12 ILE 72 1HG1 ILE 72 6.037 -1.476 2.073 506 HG13 ILE 72 2HG1 ILE 72 7.359 -0.520 2.708 507 HG21 ILE 72 1HG2 ILE 72 7.387 -4.156 1.596 508 HG22 ILE 72 2HG2 ILE 72 7.244 -4.819 3.202 509 HG23 ILE 72 3HG2 ILE 72 5.858 -3.962 2.485 510 HD11 ILE 72 3HD1 ILE 72 7.750 -2.402 0.376 511 HD12 ILE 72 1HD1 ILE 72 7.350 -0.685 0.241 512 HD13 ILE 72 2HD1 ILE 72 8.861 -1.167 0.997 513 H CYS 73 H CYS 73 5.189 -4.238 5.270 514 HA CYS 73 HA CYS 73 7.179 -5.784 6.825 515 HB2 CYS 73 1HB CYS 73 4.251 -5.473 7.570 516 HB3 CYS 73 2HB CYS 73 5.518 -6.320 8.483 517 HG CYS 73 HG CYS 73 5.379 -3.164 7.629 518 H VAL 74 H VAL 74 6.984 -8.043 6.684 519 HA VAL 74 HA VAL 74 5.127 -9.158 4.647 520 HB VAL 74 HB VAL 74 7.033 -10.430 3.746 521 HG11 VAL 74 1HG1 VAL 74 8.110 -8.643 2.493 522 HG12 VAL 74 2HG1 VAL 74 6.385 -8.316 2.698 523 HG13 VAL 74 3HG1 VAL 74 7.582 -7.435 3.672 524 HG21 VAL 74 3HG2 VAL 74 8.819 -8.786 5.572 525 HG22 VAL 74 1HG2 VAL 74 8.543 -10.535 5.646 526 HG23 VAL 74 2HG2 VAL 74 9.368 -9.838 4.247 527 HA PRO 75 HA PRO 75 4.490 -12.080 7.743 528 HB2 PRO 75 1HB PRO 75 4.389 -14.601 6.486 529 HB3 PRO 75 2HB PRO 75 3.071 -13.401 6.525 530 HG2 PRO 75 1HG PRO 75 5.021 -13.985 4.353 531 HG3 PRO 75 2HG PRO 75 3.304 -13.521 4.216 532 HD2 PRO 75 1HD PRO 75 5.382 -11.765 3.809 533 HD3 PRO 75 2HD PRO 75 3.805 -11.261 4.450 534 H GLU 76 H GLU 76 5.547 -13.451 9.198 535 HA GLU 76 HA GLU 76 8.331 -13.333 9.225 536 HB2 GLU 76 1HB GLU 76 8.198 -14.540 11.283 537 HB3 GLU 76 2HB GLU 76 6.764 -13.516 11.150 538 HG2 GLU 76 1HG GLU 76 5.596 -15.683 10.193 539 HG3 GLU 76 2HG GLU 76 6.976 -16.535 10.880 540 H GLU 77 H GLU 77 6.353 -15.870 7.785 541 HA GLU 77 HA GLU 77 8.437 -17.859 7.647 542 HB2 GLU 77 1HB GLU 77 5.685 -17.407 6.370 543 HB3 GLU 77 2HB GLU 77 6.697 -18.791 6.028 544 HG2 GLU 77 1HG GLU 77 6.743 -18.961 8.724 545 HG3 GLU 77 2HG GLU 77 5.195 -18.157 8.526 546 H ALA 78 H ALA 78 7.548 -15.072 5.774 547 HA ALA 78 HA ALA 78 8.928 -16.037 3.313 548 HB1 ALA 78 1HB ALA 78 6.640 -15.192 3.206 549 HB2 ALA 78 2HB ALA 78 7.214 -13.595 3.805 550 HB3 ALA 78 3HB ALA 78 7.789 -14.242 2.247 551 H LEU 79 H LEU 79 9.693 -14.398 6.134 552 HA LEU 79 HA LEU 79 10.578 -11.930 5.353 553 HB2 LEU 79 1HB LEU 79 10.262 -12.778 7.670 554 HB3 LEU 79 2HB LEU 79 11.774 -13.689 7.530 555 HG LEU 79 HG LEU 79 13.021 -11.531 7.236 556 HD11 LEU 79 1HD1 LEU 79 11.323 -10.062 6.295 557 HD12 LEU 79 2HD1 LEU 79 11.833 -9.401 7.849 558 HD13 LEU 79 3HD1 LEU 79 10.285 -10.267 7.722 559 HD21 LEU 79 3HD2 LEU 79 11.208 -11.881 9.673 560 HD22 LEU 79 1HD2 LEU 79 12.592 -10.786 9.639 561 HD23 LEU 79 2HD2 LEU 79 12.843 -12.526 9.439 562 H ASP 80 H ASP 80 12.616 -14.894 5.458 563 HA ASP 80 HA ASP 80 14.990 -13.601 4.343 564 HB2 ASP 80 1HB ASP 80 15.152 -15.711 5.573 565 HB3 ASP 80 2HB ASP 80 14.062 -16.463 4.416 566 H ARG 81 H ARG 81 12.321 -15.538 3.058 567 HA ARG 81 HA ARG 81 13.002 -15.795 0.374 568 HB2 ARG 81 1HB ARG 81 10.582 -15.973 1.937 569 HB3 ARG 81 2HB ARG 81 10.182 -15.139 0.437 570 HG2 ARG 81 1HG ARG 81 11.067 -17.024 -0.864 571 HG3 ARG 81 2HG ARG 81 11.627 -17.806 0.627 572 HD2 ARG 81 1HD ARG 81 9.234 -17.807 1.454 573 HD3 ARG 81 2HD ARG 81 8.725 -17.205 -0.122 574 HE ARG 81 HE ARG 81 9.791 -19.859 0.607 575 HH11 ARG 81 1HH1 ARG 81 8.578 -17.794 -2.011 576 HH12 ARG 81 2HH1 ARG 81 8.427 -19.092 -3.157 577 HH21 ARG 81 1HH2 ARG 81 9.366 -21.633 -0.920 578 HH22 ARG 81 2HH2 ARG 81 9.061 -21.220 -2.571 579 H TYR 82 H TYR 82 11.175 -12.937 1.677 580 HA TYR 82 HA TYR 82 11.309 -11.483 -0.806 581 HB2 TYR 82 1HB TYR 82 10.905 -10.639 2.096 582 HB3 TYR 82 2HB TYR 82 11.048 -9.464 0.811 583 HD1 TYR 82 2HD TYR 82 8.912 -12.150 2.163 584 HD2 TYR 82 1HD TYR 82 9.247 -8.991 -0.741 585 HE1 TYR 82 2HE TYR 82 6.471 -12.230 1.827 586 HE2 TYR 82 1HE TYR 82 6.765 -9.023 -1.032 587 HH TYR 82 HH TYR 82 4.678 -11.284 0.833 588 H ARG 83 H ARG 83 13.513 -11.589 2.074 589 HA ARG 83 HA ARG 83 15.287 -9.554 1.046 590 HB2 ARG 83 1HB ARG 83 15.650 -11.788 3.095 591 HB3 ARG 83 2HB ARG 83 16.908 -10.623 2.710 592 HG2 ARG 83 1HG ARG 83 15.403 -8.765 3.316 593 HG3 ARG 83 2HG ARG 83 14.135 -9.902 3.752 594 HD2 ARG 83 1HD ARG 83 15.635 -10.966 5.439 595 HD3 ARG 83 2HD ARG 83 16.877 -9.761 5.084 596 HE ARG 83 HE ARG 83 14.743 -9.501 6.882 597 HH11 ARG 83 1HH1 ARG 83 16.479 -7.505 4.550 598 HH12 ARG 83 2HH1 ARG 83 15.739 -6.009 5.012 599 HH21 ARG 83 1HH2 ARG 83 13.967 -7.645 7.689 600 HH22 ARG 83 2HH2 ARG 83 14.142 -6.087 6.956 601 H ARG 84 H ARG 84 14.875 -12.906 0.195 602 HA ARG 84 HA ARG 84 17.356 -12.918 -1.401 603 HB2 ARG 84 1HB ARG 84 15.344 -15.048 -0.624 604 HB3 ARG 84 2HB ARG 84 16.648 -15.291 -1.790 605 HG2 ARG 84 1HG ARG 84 18.290 -14.430 -0.019 606 HG3 ARG 84 2HG ARG 84 16.955 -14.529 1.134 607 HD2 ARG 84 1HD ARG 84 18.339 -16.509 1.246 608 HD3 ARG 84 2HD ARG 84 16.716 -16.931 0.649 609 HE ARG 84 HE ARG 84 18.311 -16.412 -1.589 610 HH11 ARG 84 1HH1 ARG 84 18.267 -18.781 1.063 611 HH12 ARG 84 2HH1 ARG 84 19.037 -20.033 0.144 612 HH21 ARG 84 1HH2 ARG 84 19.159 -18.196 -2.872 613 HH22 ARG 84 2HH2 ARG 84 19.573 -19.675 -2.078 614 H ASP 85 H ASP 85 14.733 -11.263 -2.103 615 HA ASP 85 HA ASP 85 14.001 -12.466 -4.630 616 HB2 ASP 85 1HB ASP 85 12.515 -11.027 -3.150 617 HB3 ASP 85 2HB ASP 85 13.531 -9.655 -3.611 618 H TYR 86 H TYR 86 14.085 -10.721 -6.574 619 HA TYR 86 HA TYR 86 16.875 -9.735 -6.887 620 HB2 TYR 86 1HB TYR 86 15.866 -11.646 -8.364 621 HB3 TYR 86 2HB TYR 86 14.798 -10.424 -9.009 622 HD1 TYR 86 2HD TYR 86 15.994 -8.299 -10.116 623 HD2 TYR 86 1HD TYR 86 17.834 -12.168 -9.502 624 HE1 TYR 86 2HE TYR 86 17.663 -7.766 -11.802 625 HE2 TYR 86 1HE TYR 86 19.517 -11.623 -11.222 626 HH TYR 86 HH TYR 86 19.328 -8.640 -13.133 627 H PHE 87 H PHE 87 13.459 -8.730 -6.955 628 HA PHE 87 HA PHE 87 14.289 -6.043 -7.827 629 HB2 PHE 87 1HB PHE 87 12.298 -7.144 -8.837 630 HB3 PHE 87 2HB PHE 87 11.558 -7.250 -7.261 631 HD1 PHE 87 2HD PHE 87 13.325 -4.034 -7.584 632 HD2 PHE 87 1HD PHE 87 9.752 -6.199 -8.700 633 HE1 PHE 87 2HE PHE 87 12.174 -1.913 -8.019 634 HE2 PHE 87 1HE PHE 87 8.573 -4.049 -9.035 635 HZ PHE 87 HZ PHE 87 9.812 -1.911 -8.753 636 H TRP 88 H TRP 88 12.447 -7.694 -5.199 637 HA TRP 88 HA TRP 88 12.217 -5.374 -3.620 638 HB2 TRP 88 1HB TRP 88 12.021 -8.294 -2.781 639 HB3 TRP 88 2HB TRP 88 11.605 -6.947 -1.758 640 HD1 TRP 88 HD TRP 88 10.246 -8.901 -4.737 641 HE1 TRP 88 1HE TRP 88 7.859 -8.271 -5.183 642 HE3 TRP 88 3HE TRP 88 9.954 -4.898 -1.580 643 HZ2 TRP 88 2HZ TRP 88 6.180 -5.894 -4.685 644 HZ3 TRP 88 3HZ TRP 88 7.960 -3.451 -1.600 645 HH2 TRP 88 HH TRP 88 6.101 -3.883 -3.186 646 H GLN 89 H GLN 89 15.075 -7.327 -3.952 647 HA GLN 89 HA GLN 89 16.558 -6.896 -1.895 648 HB2 GLN 89 1HB GLN 89 18.532 -6.099 -3.416 649 HB3 GLN 89 2HB GLN 89 18.016 -7.772 -3.082 650 HG2 GLN 89 1HG GLN 89 16.717 -7.937 -4.905 651 HG3 GLN 89 2HG GLN 89 16.672 -6.182 -5.031 652 HE21 GLN 89 1HE2 GLN 89 19.136 -8.912 -5.035 653 HE22 GLN 89 2HE2 GLN 89 20.029 -8.318 -6.416 654 H THR 90 H THR 90 16.187 -4.385 -4.300 655 HA THR 90 HA THR 90 17.614 -2.432 -2.746 656 HB THR 90 HB THR 90 17.732 -2.441 -5.068 657 HG1 THR 90 1HG THR 90 16.378 -0.054 -4.482 658 HG21 THR 90 3HG2 THR 90 15.927 -1.619 -6.562 659 HG22 THR 90 1HG2 THR 90 14.769 -1.800 -5.216 660 HG23 THR 90 2HG2 THR 90 15.665 -3.198 -5.876 661 H TYR 91 H TYR 91 14.398 -3.486 -2.272 662 HA TYR 91 HA TYR 91 13.866 -1.043 -0.679 663 HB2 TYR 91 1HB TYR 91 11.897 -3.094 -1.699 664 HB3 TYR 91 2HB TYR 91 11.542 -1.871 -0.523 665 HD1 TYR 91 1HD TYR 91 12.803 -2.190 -4.098 666 HD2 TYR 91 2HD TYR 91 10.992 0.339 -1.063 667 HE1 TYR 91 1HE TYR 91 12.228 -0.504 -5.827 668 HE2 TYR 91 2HE TYR 91 10.516 2.037 -2.781 669 HH TYR 91 HH TYR 91 11.231 1.656 -6.257 670 H ALA 92 H ALA 92 15.444 -3.935 -0.251 671 HA ALA 92 HA ALA 92 14.090 -5.015 2.013 672 HB1 ALA 92 1HB ALA 92 16.927 -5.497 1.088 673 HB2 ALA 92 2HB ALA 92 15.995 -6.482 2.222 674 HB3 ALA 92 3HB ALA 92 15.488 -6.377 0.526 675 H ALA 93 H ALA 93 15.715 -2.147 1.792 676 HA ALA 93 HA ALA 93 16.937 -2.117 4.373 677 HB1 ALA 93 1HB ALA 93 16.242 0.138 2.452 678 HB2 ALA 93 2HB ALA 93 17.123 0.354 3.972 679 HB3 ALA 93 3HB ALA 93 17.829 -0.629 2.687 680 H TRP 94 H TRP 94 13.657 -1.921 3.269 681 HA TRP 94 HA TRP 94 12.750 -0.643 5.816 682 HB2 TRP 94 1HB TRP 94 11.448 -0.339 3.085 683 HB3 TRP 94 2HB TRP 94 10.906 0.353 4.586 684 HD1 TRP 94 HD TRP 94 11.919 2.586 5.378 685 HE1 TRP 94 1HE TRP 94 13.379 4.365 4.290 686 HE3 TRP 94 3HE TRP 94 13.328 -0.017 1.244 687 HZ2 TRP 94 2HZ TRP 94 15.119 4.560 1.957 688 HZ3 TRP 94 3HZ TRP 94 14.825 1.031 -0.473 689 HH2 TRP 94 HH TRP 94 15.733 3.287 -0.106 690 H ILE 95 H ILE 95 13.180 -3.493 5.402 691 HA ILE 95 HA ILE 95 10.340 -4.477 5.249 692 HB ILE 95 HB ILE 95 12.923 -5.972 4.627 693 HG12 ILE 95 1HG1 ILE 95 10.495 -5.164 2.949 694 HG13 ILE 95 2HG1 ILE 95 12.122 -4.484 2.865 695 HG21 ILE 95 1HG2 ILE 95 11.336 -7.485 5.819 696 HG22 ILE 95 2HG2 ILE 95 10.055 -7.029 4.670 697 HG23 ILE 95 3HG2 ILE 95 11.487 -7.932 4.134 698 HD11 ILE 95 3HD1 ILE 95 12.922 -6.817 2.190 699 HD12 ILE 95 1HD1 ILE 95 11.198 -7.192 1.918 700 HD13 ILE 95 2HD1 ILE 95 11.987 -5.871 1.019 701 H GLN 96 H GLN 96 9.509 -5.460 7.042 702 HA GLN 96 HA GLN 96 11.304 -6.601 9.064 703 HB2 GLN 96 1HB GLN 96 9.454 -5.769 10.754 704 HB3 GLN 96 2HB GLN 96 11.009 -5.010 10.486 705 HG2 GLN 96 1HG GLN 96 8.688 -4.046 8.800 706 HG3 GLN 96 2HG GLN 96 8.720 -3.763 10.526 707 HE21 GLN 96 1HE2 GLN 96 10.469 -2.539 11.502 708 HE22 GLN 96 2HE2 GLN 96 11.427 -1.440 10.513 709 HA PRO 97 HA PRO 97 8.132 -9.815 8.959 710 HB2 PRO 97 1HB PRO 97 7.915 -10.599 11.598 711 HB3 PRO 97 2HB PRO 97 9.234 -11.105 10.502 712 HG2 PRO 97 1HG PRO 97 9.236 -8.862 12.537 713 HG3 PRO 97 2HG PRO 97 10.511 -10.087 12.239 714 HD2 PRO 97 1HD PRO 97 10.671 -7.578 11.241 715 HD3 PRO 97 2HD PRO 97 11.244 -8.978 10.298 716 H MET 98 H MET 98 5.914 -9.932 9.277 717 HA MET 98 HA MET 98 4.529 -7.577 10.281 718 HB2 MET 98 1HB MET 98 2.746 -8.350 9.097 719 HB3 MET 98 2HB MET 98 3.999 -9.191 8.219 720 HG2 MET 98 1HG MET 98 3.424 -11.266 9.274 721 HG3 MET 98 2HG MET 98 2.423 -10.451 10.466 722 HE1 MET 98 3HE MET 98 2.281 -9.407 6.633 723 HE2 MET 98 1HE MET 98 2.611 -11.150 6.523 724 HE3 MET 98 2HE MET 98 1.028 -10.517 6.057 725 H GLU 99 H GLU 99 2.730 -7.814 11.943 726 HA GLU 99 HA GLU 99 3.127 -9.926 13.950 727 HB2 GLU 99 1HB GLU 99 3.459 -6.935 14.318 728 HB3 GLU 99 2HB GLU 99 2.961 -7.982 15.651 729 HG2 GLU 99 1HG GLU 99 4.946 -9.335 15.502 730 HG3 GLU 99 2HG GLU 99 5.447 -8.561 13.998 731 H GLN 100 H GLN 100 1.207 -8.888 15.723 732 HA GLN 100 HA GLN 100 -1.267 -8.535 14.163 733 HB2 GLN 100 1HB GLN 100 -0.867 -10.508 16.466 734 HB3 GLN 100 2HB GLN 100 -2.439 -10.007 15.841 735 HG2 GLN 100 1HG GLN 100 -1.952 -11.030 13.657 736 HG3 GLN 100 2HG GLN 100 -0.324 -11.457 14.204 737 HE21 GLN 100 1HE2 GLN 100 -3.303 -12.895 13.707 738 HE22 GLN 100 2HE2 GLN 100 -3.078 -14.192 14.885 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -21.276 9.747 -13.290 2 HA2 GLY 1 1HA GLY 1 -22.223 7.618 -11.451 3 HA3 GLY 1 2HA GLY 1 -21.227 7.324 -12.895 4 H SER 2 H SER 2 -20.580 6.596 -10.201 5 HA SER 2 HA SER 2 -18.681 8.449 -9.035 6 HB2 SER 2 1HB SER 2 -20.200 6.782 -7.865 7 HB3 SER 2 2HB SER 2 -19.219 5.480 -8.558 8 HG SER 2 HG SER 2 -17.722 5.889 -7.160 9 H HIS 3 H HIS 3 -16.372 7.699 -8.750 10 HA HIS 3 HA HIS 3 -15.442 5.467 -10.226 11 HB2 HIS 3 1HB HIS 3 -13.710 6.500 -11.576 12 HB3 HIS 3 2HB HIS 3 -15.310 6.836 -12.166 13 HD1 HIS 3 1HD HIS 3 -16.029 9.588 -10.757 14 HD2 HIS 3 2HD HIS 3 -12.300 8.494 -12.406 15 HE1 HIS 3 1HE HIS 3 -14.989 11.697 -11.610 16 H GLU 4 H GLU 4 -15.673 6.068 -7.569 17 HA GLU 4 HA GLU 4 -12.990 5.615 -6.659 18 HB2 GLU 4 1HB GLU 4 -12.909 7.452 -5.067 19 HB3 GLU 4 2HB GLU 4 -12.963 8.084 -6.696 20 HG2 GLU 4 1HG GLU 4 -15.585 7.797 -5.172 21 HG3 GLU 4 2HG GLU 4 -14.476 9.070 -4.730 22 H GLY 5 H GLY 5 -13.158 5.591 -4.030 23 HA2 GLY 5 1HA GLY 5 -15.749 5.179 -2.882 24 HA3 GLY 5 2HA GLY 5 -14.863 3.643 -3.014 25 H GLU 6 H GLU 6 -12.816 3.431 -1.912 26 HA GLU 6 HA GLU 6 -12.104 5.528 0.051 27 HB2 GLU 6 1HB GLU 6 -12.534 2.543 0.561 28 HB3 GLU 6 2HB GLU 6 -11.689 3.607 1.680 29 HG2 GLU 6 1HG GLU 6 -13.708 4.994 1.960 30 HG3 GLU 6 2HG GLU 6 -14.579 3.980 0.808 31 HA PRO 7 HA PRO 7 -7.945 4.291 -1.305 32 HB2 PRO 7 1HB PRO 7 -6.416 5.140 0.780 33 HB3 PRO 7 2HB PRO 7 -7.239 6.356 -0.247 34 HG2 PRO 7 1HG PRO 7 -8.191 5.228 2.405 35 HG3 PRO 7 2HG PRO 7 -8.132 6.909 1.887 36 HD2 PRO 7 1HD PRO 7 -10.407 5.455 1.738 37 HD3 PRO 7 2HD PRO 7 -9.995 6.689 0.514 38 H VAL 8 H VAL 8 -8.610 2.035 -1.306 39 HA VAL 8 HA VAL 8 -7.421 0.496 0.878 40 HB VAL 8 HB VAL 8 -9.858 1.036 1.427 41 HG11 VAL 8 1HG1 VAL 8 -10.829 0.801 -0.806 42 HG12 VAL 8 2HG1 VAL 8 -10.448 -0.937 -0.824 43 HG13 VAL 8 3HG1 VAL 8 -11.595 -0.286 0.337 44 HG21 VAL 8 3HG2 VAL 8 -10.353 -1.183 2.288 45 HG22 VAL 8 1HG2 VAL 8 -9.122 -1.910 1.226 46 HG23 VAL 8 2HG2 VAL 8 -8.658 -0.781 2.531 47 H VAL 9 H VAL 9 -6.899 -1.635 0.225 48 HA VAL 9 HA VAL 9 -6.718 -1.980 -2.706 49 HB VAL 9 HB VAL 9 -5.727 -3.846 -0.502 50 HG11 VAL 9 1HG1 VAL 9 -5.961 -4.734 -2.876 51 HG12 VAL 9 2HG1 VAL 9 -4.903 -3.425 -3.434 52 HG13 VAL 9 3HG1 VAL 9 -4.291 -4.688 -2.327 53 HG21 VAL 9 3HG2 VAL 9 -4.133 -1.666 -1.869 54 HG22 VAL 9 1HG2 VAL 9 -4.635 -1.677 -0.165 55 HG23 VAL 9 2HG2 VAL 9 -3.558 -2.919 -0.752 56 H GLY 10 H GLY 10 -8.684 -2.322 -3.470 57 HA2 GLY 10 1HA GLY 10 -10.368 -4.457 -2.243 58 HA3 GLY 10 2HA GLY 10 -11.007 -3.052 -3.109 59 H MET 11 H MET 11 -10.318 -2.814 -5.381 60 HA MET 11 HA MET 11 -9.639 -5.318 -6.831 61 HB2 MET 11 1HB MET 11 -12.171 -3.739 -6.889 62 HB3 MET 11 2HB MET 11 -11.513 -4.047 -8.483 63 HG2 MET 11 1HG MET 11 -11.643 -6.332 -6.549 64 HG3 MET 11 2HG MET 11 -13.135 -5.728 -7.239 65 HE1 MET 11 3HE MET 11 -10.239 -5.360 -9.853 66 HE2 MET 11 1HE MET 11 -9.504 -6.476 -8.690 67 HE3 MET 11 2HE MET 11 -9.934 -7.038 -10.323 68 H ASP 12 H ASP 12 -10.032 -1.741 -7.036 69 HA ASP 12 HA ASP 12 -8.147 -1.687 -9.343 70 HB2 ASP 12 1HB ASP 12 -10.400 -0.289 -9.177 71 HB3 ASP 12 2HB ASP 12 -9.435 0.783 -8.181 72 H LYS 13 H LYS 13 -6.554 0.246 -9.022 73 HA LYS 13 HA LYS 13 -5.482 0.266 -6.263 74 HB2 LYS 13 1HB LYS 13 -4.000 -0.539 -8.776 75 HB3 LYS 13 2HB LYS 13 -3.188 0.072 -7.342 76 HG2 LYS 13 1HG LYS 13 -4.630 -1.690 -6.032 77 HG3 LYS 13 2HG LYS 13 -4.764 -2.531 -7.617 78 HD2 LYS 13 1HD LYS 13 -2.366 -2.656 -7.781 79 HD3 LYS 13 2HD LYS 13 -2.161 -1.696 -6.293 80 HE2 LYS 13 1HE LYS 13 -3.703 -3.461 -5.172 81 HE3 LYS 13 2HE LYS 13 -3.408 -4.456 -6.594 82 HZ1 LYS 13 3HZ LYS 13 -1.047 -4.262 -6.123 83 HZ2 LYS 13 1HZ LYS 13 -1.842 -4.984 -4.896 84 HZ3 LYS 13 2HZ LYS 13 -1.415 -3.388 -4.729 85 H SER 14 H SER 14 -6.743 2.305 -8.512 86 HA SER 14 HA SER 14 -4.660 4.229 -8.310 87 HB2 SER 14 1HB SER 14 -6.563 5.627 -9.447 88 HB3 SER 14 2HB SER 14 -5.961 4.182 -10.291 89 HG SER 14 HG SER 14 -8.220 4.284 -10.251 90 H LEU 15 H LEU 15 -7.494 3.642 -6.420 91 HA LEU 15 HA LEU 15 -8.086 6.333 -5.820 92 HB2 LEU 15 1HB LEU 15 -9.129 3.831 -4.427 93 HB3 LEU 15 2HB LEU 15 -9.857 5.417 -4.430 94 HG LEU 15 HG LEU 15 -11.191 4.276 -5.851 95 HD11 LEU 15 1HD1 LEU 15 -9.247 5.579 -7.786 96 HD12 LEU 15 2HD1 LEU 15 -10.486 6.434 -6.837 97 HD13 LEU 15 3HD1 LEU 15 -10.960 5.229 -8.053 98 HD21 LEU 15 3HD2 LEU 15 -9.877 2.244 -6.094 99 HD22 LEU 15 1HD2 LEU 15 -8.890 3.028 -7.356 100 HD23 LEU 15 2HD2 LEU 15 -10.623 2.785 -7.608 101 H PHE 16 H PHE 16 -5.379 5.604 -4.782 102 HA PHE 16 HA PHE 16 -5.776 5.628 -1.822 103 HB2 PHE 16 1HB PHE 16 -3.322 5.024 -3.497 104 HB3 PHE 16 2HB PHE 16 -3.342 5.105 -1.744 105 HD1 PHE 16 2HD PHE 16 -4.999 3.386 -4.650 106 HD2 PHE 16 1HD PHE 16 -3.947 3.244 -0.502 107 HE1 PHE 16 2HE PHE 16 -5.911 1.087 -4.498 108 HE2 PHE 16 1HE PHE 16 -4.678 0.827 -0.405 109 HZ PHE 16 HZ PHE 16 -5.615 -0.206 -2.475 110 H ALA 17 H ALA 17 -3.962 7.261 -4.405 111 HA ALA 17 HA ALA 17 -2.959 9.456 -2.888 112 HB1 ALA 17 1HB ALA 17 -2.688 10.454 -5.179 113 HB2 ALA 17 2HB ALA 17 -2.008 8.818 -5.055 114 HB3 ALA 17 3HB ALA 17 -3.572 9.080 -5.864 115 H GLY 18 H GLY 18 -4.794 10.106 -1.552 116 HA2 GLY 18 1HA GLY 18 -6.155 12.322 -2.499 117 HA3 GLY 18 2HA GLY 18 -7.272 10.976 -2.715 118 H ASN 19 H ASN 19 -6.118 9.587 -0.122 119 HA ASN 19 HA ASN 19 -7.361 11.546 1.770 120 HB2 ASN 19 1HB ASN 19 -8.341 9.206 1.444 121 HB3 ASN 19 2HB ASN 19 -6.954 8.637 2.376 122 HD21 ASN 19 1HD2 ASN 19 -7.915 8.123 4.393 123 HD22 ASN 19 2HD2 ASN 19 -8.826 9.228 5.324 124 H THR 20 H THR 20 -5.815 12.785 2.573 125 HA THR 20 HA THR 20 -3.125 12.081 3.117 126 HB THR 20 HB THR 20 -3.327 14.422 4.251 127 HG1 THR 20 1HG THR 20 -5.246 15.521 3.462 128 HG21 THR 20 3HG2 THR 20 -2.517 14.113 1.935 129 HG22 THR 20 1HG2 THR 20 -3.504 15.569 2.076 130 HG23 THR 20 2HG2 THR 20 -4.189 14.110 1.329 131 H VAL 21 H VAL 21 -4.986 10.240 4.509 132 HA VAL 21 HA VAL 21 -4.395 10.773 7.367 133 HB VAL 21 HB VAL 21 -7.175 10.040 6.458 134 HG11 VAL 21 1HG1 VAL 21 -7.853 11.019 8.581 135 HG12 VAL 21 2HG1 VAL 21 -6.629 9.789 8.831 136 HG13 VAL 21 3HG1 VAL 21 -6.178 11.490 8.934 137 HG21 VAL 21 3HG2 VAL 21 -6.205 12.891 6.772 138 HG22 VAL 21 1HG2 VAL 21 -6.870 12.162 5.292 139 HG23 VAL 21 2HG2 VAL 21 -7.907 12.402 6.689 140 H ILE 22 H ILE 22 -4.409 8.470 4.776 141 HA ILE 22 HA ILE 22 -5.233 6.250 6.412 142 HB ILE 22 HB ILE 22 -5.812 6.261 4.144 143 HG12 ILE 22 1HG1 ILE 22 -3.722 4.101 4.476 144 HG13 ILE 22 2HG1 ILE 22 -5.151 4.185 5.517 145 HG21 ILE 22 1HG2 ILE 22 -2.922 6.052 3.233 146 HG22 ILE 22 2HG2 ILE 22 -4.384 6.121 2.233 147 HG23 ILE 22 3HG2 ILE 22 -3.875 7.539 3.138 148 HD11 ILE 22 3HD1 ILE 22 -5.233 3.991 2.493 149 HD12 ILE 22 1HD1 ILE 22 -5.623 2.710 3.668 150 HD13 ILE 22 2HD1 ILE 22 -6.628 4.165 3.587 151 H ARG 23 H ARG 23 -3.931 6.100 8.131 152 HA ARG 23 HA ARG 23 -1.064 6.370 7.948 153 HB2 ARG 23 1HB ARG 23 -3.013 5.572 10.145 154 HB3 ARG 23 2HB ARG 23 -1.263 5.518 10.394 155 HG2 ARG 23 1HG ARG 23 -0.978 7.826 9.909 156 HG3 ARG 23 2HG ARG 23 -2.620 7.999 9.273 157 HD2 ARG 23 1HD ARG 23 -3.587 7.933 11.468 158 HD3 ARG 23 2HD ARG 23 -2.054 7.411 12.187 159 HE ARG 23 HE ARG 23 -1.264 9.523 12.185 160 HH11 ARG 23 1HH1 ARG 23 -4.334 9.715 10.433 161 HH12 ARG 23 2HH1 ARG 23 -4.059 11.331 9.830 162 HH21 ARG 23 1HH2 ARG 23 -0.848 11.584 11.323 163 HH22 ARG 23 2HH2 ARG 23 -1.998 12.402 10.325 164 H GLU 24 H GLU 24 -3.054 3.762 7.068 165 HA GLU 24 HA GLU 24 -0.822 1.813 7.276 166 HB2 GLU 24 1HB GLU 24 -3.547 1.535 8.628 167 HB3 GLU 24 2HB GLU 24 -2.494 0.165 8.290 168 HG2 GLU 24 1HG GLU 24 -0.875 0.817 9.868 169 HG3 GLU 24 2HG GLU 24 -1.559 2.451 10.036 170 H ILE 25 H ILE 25 -0.878 0.513 5.438 171 HA ILE 25 HA ILE 25 -3.544 0.017 4.190 172 HB ILE 25 HB ILE 25 -0.963 0.579 2.696 173 HG12 ILE 25 1HG1 ILE 25 -3.490 2.263 2.844 174 HG13 ILE 25 2HG1 ILE 25 -2.034 2.609 3.702 175 HG21 ILE 25 1HG2 ILE 25 -3.797 0.077 1.665 176 HG22 ILE 25 2HG2 ILE 25 -2.349 0.355 0.665 177 HG23 ILE 25 3HG2 ILE 25 -2.490 -1.113 1.616 178 HD11 ILE 25 3HD1 ILE 25 -0.805 2.766 1.521 179 HD12 ILE 25 1HD1 ILE 25 -2.364 2.589 0.713 180 HD13 ILE 25 2HD1 ILE 25 -2.086 3.990 1.746 181 H THR 26 H THR 26 -3.946 -2.084 4.548 182 HA THR 26 HA THR 26 -1.737 -4.056 4.384 183 HB THR 26 HB THR 26 -4.718 -4.427 4.911 184 HG1 THR 26 1HG THR 26 -3.690 -3.131 6.483 185 HG21 THR 26 3HG2 THR 26 -3.924 -6.565 5.944 186 HG22 THR 26 1HG2 THR 26 -2.290 -6.239 5.321 187 HG23 THR 26 2HG2 THR 26 -3.653 -6.495 4.201 188 H VAL 27 H VAL 27 -1.447 -5.353 2.510 189 HA VAL 27 HA VAL 27 -3.287 -4.972 0.193 190 HB VAL 27 HB VAL 27 -0.273 -5.300 0.065 191 HG11 VAL 27 1HG1 VAL 27 -2.097 -4.023 -1.982 192 HG12 VAL 27 2HG1 VAL 27 -0.402 -4.503 -2.166 193 HG13 VAL 27 3HG1 VAL 27 -1.661 -5.726 -1.993 194 HG21 VAL 27 3HG2 VAL 27 -1.701 -2.635 0.155 195 HG22 VAL 27 1HG2 VAL 27 -0.488 -3.244 1.297 196 HG23 VAL 27 2HG2 VAL 27 -0.016 -2.886 -0.364 197 H GLN 28 H GLN 28 -4.126 -6.975 -0.472 198 HA GLN 28 HA GLN 28 -2.750 -9.406 0.340 199 HB2 GLN 28 1HB GLN 28 -5.283 -8.765 -1.219 200 HB3 GLN 28 2HB GLN 28 -4.704 -10.407 -1.070 201 HG2 GLN 28 1HG GLN 28 -5.194 -10.575 1.151 202 HG3 GLN 28 2HG GLN 28 -4.820 -8.906 1.514 203 HE21 GLN 28 1HE2 GLN 28 -6.492 -7.518 1.887 204 HE22 GLN 28 2HE2 GLN 28 -8.141 -7.812 1.429 205 HA PRO 29 HA PRO 29 -0.341 -9.927 -3.319 206 HB2 PRO 29 1HB PRO 29 -0.364 -12.644 -3.723 207 HB3 PRO 29 2HB PRO 29 0.525 -11.847 -2.384 208 HG2 PRO 29 1HG PRO 29 -2.164 -13.229 -2.310 209 HG3 PRO 29 2HG PRO 29 -0.818 -13.302 -1.121 210 HD2 PRO 29 1HD PRO 29 -3.027 -11.725 -0.808 211 HD3 PRO 29 2HD PRO 29 -1.418 -11.288 -0.152 212 H ASN 30 H ASN 30 -0.398 -10.515 -5.549 213 HA ASN 30 HA ASN 30 -1.309 -10.611 -7.629 214 HB2 ASN 30 1HB ASN 30 -2.661 -12.936 -6.259 215 HB3 ASN 30 2HB ASN 30 -2.606 -12.697 -7.980 216 HD21 ASN 30 1HD2 ASN 30 -1.090 -14.580 -5.720 217 HD22 ASN 30 2HD2 ASN 30 0.440 -14.691 -6.575 218 H ILE 31 H ILE 31 -2.658 -8.590 -6.130 219 HA ILE 31 HA ILE 31 -5.288 -8.609 -7.482 220 HB ILE 31 HB ILE 31 -5.529 -9.392 -5.261 221 HG12 ILE 31 1HG1 ILE 31 -6.927 -6.750 -5.131 222 HG13 ILE 31 2HG1 ILE 31 -7.239 -7.783 -6.525 223 HG21 ILE 31 1HG2 ILE 31 -5.282 -7.880 -3.314 224 HG22 ILE 31 2HG2 ILE 31 -3.775 -8.310 -4.116 225 HG23 ILE 31 3HG2 ILE 31 -4.484 -6.695 -4.379 226 HD11 ILE 31 3HD1 ILE 31 -7.490 -8.727 -3.656 227 HD12 ILE 31 1HD1 ILE 31 -8.841 -8.218 -4.688 228 HD13 ILE 31 2HD1 ILE 31 -7.894 -9.646 -5.110 229 H GLY 32 H GLY 32 -2.681 -7.326 -8.161 230 HA2 GLY 32 1HA GLY 32 -3.262 -5.759 -9.963 231 HA3 GLY 32 2HA GLY 32 -3.702 -4.598 -8.715 232 H LEU 33 H LEU 33 -1.701 -4.116 -10.706 233 HA LEU 33 HA LEU 33 0.950 -4.463 -9.649 234 HB2 LEU 33 1HB LEU 33 0.580 -4.190 -12.015 235 HB3 LEU 33 2HB LEU 33 -0.309 -2.699 -11.753 236 HG LEU 33 HG LEU 33 1.687 -1.500 -11.107 237 HD11 LEU 33 1HD1 LEU 33 3.283 -4.024 -11.688 238 HD12 LEU 33 2HD1 LEU 33 3.004 -3.352 -10.061 239 HD13 LEU 33 3HD1 LEU 33 3.909 -2.427 -11.248 240 HD21 LEU 33 3HD2 LEU 33 1.003 -1.746 -13.511 241 HD22 LEU 33 1HD2 LEU 33 2.123 -3.107 -13.669 242 HD23 LEU 33 2HD2 LEU 33 2.729 -1.474 -13.314 243 H LEU 34 H LEU 34 1.965 -3.284 -8.094 244 HA LEU 34 HA LEU 34 0.750 -0.835 -6.978 245 HB2 LEU 34 1HB LEU 34 3.267 -2.408 -6.293 246 HB3 LEU 34 2HB LEU 34 2.730 -0.959 -5.491 247 HG LEU 34 HG LEU 34 0.682 -3.075 -5.600 248 HD11 LEU 34 1HD1 LEU 34 1.631 -4.399 -3.736 249 HD12 LEU 34 2HD1 LEU 34 3.174 -3.548 -3.938 250 HD13 LEU 34 3HD1 LEU 34 2.549 -4.565 -5.239 251 HD21 LEU 34 3HD2 LEU 34 0.427 -0.976 -4.312 252 HD22 LEU 34 1HD2 LEU 34 1.842 -1.402 -3.338 253 HD23 LEU 34 2HD2 LEU 34 0.379 -2.391 -3.233 254 H TYR 35 H TYR 35 0.912 0.385 -9.035 255 HA TYR 35 HA TYR 35 3.447 0.612 -10.374 256 HB2 TYR 35 1HB TYR 35 2.317 2.345 -11.720 257 HB3 TYR 35 2HB TYR 35 1.516 0.804 -11.674 258 HD1 TYR 35 1HD TYR 35 -0.646 0.494 -10.433 259 HD2 TYR 35 2HD TYR 35 1.204 4.364 -10.931 260 HE1 TYR 35 1HE TYR 35 -2.824 1.590 -10.025 261 HE2 TYR 35 2HE TYR 35 -0.960 5.453 -10.620 262 HH TYR 35 HH TYR 35 -3.293 5.092 -10.534 263 H ASP 36 H ASP 36 4.370 2.988 -10.870 264 HA ASP 36 HA ASP 36 5.273 3.965 -8.273 265 HB2 ASP 36 1HB ASP 36 6.791 5.339 -9.585 266 HB3 ASP 36 2HB ASP 36 6.908 3.635 -10.023 267 H GLY 37 H GLY 37 4.776 5.918 -7.405 268 HA2 GLY 37 1HA GLY 37 3.632 7.883 -7.062 269 HA3 GLY 37 2HA GLY 37 3.012 7.826 -8.706 270 H MET 38 H MET 38 2.191 4.781 -7.344 271 HA MET 38 HA MET 38 -0.498 5.264 -7.279 272 HB2 MET 38 1HB MET 38 1.050 3.098 -7.178 273 HB3 MET 38 2HB MET 38 0.735 3.216 -5.440 274 HG2 MET 38 1HG MET 38 -1.754 3.363 -6.242 275 HG3 MET 38 2HG MET 38 -1.095 2.778 -7.773 276 HE1 MET 38 3HE MET 38 -1.492 2.355 -4.091 277 HE2 MET 38 1HE MET 38 -2.896 1.440 -4.698 278 HE3 MET 38 2HE MET 38 -1.608 0.607 -3.795 279 H PHE 39 H PHE 39 1.794 6.006 -4.710 280 HA PHE 39 HA PHE 39 -0.416 6.433 -2.753 281 HB2 PHE 39 1HB PHE 39 2.504 5.786 -2.218 282 HB3 PHE 39 2HB PHE 39 1.258 6.041 -1.006 283 HD1 PHE 39 1HD PHE 39 -0.863 4.459 -1.131 284 HD2 PHE 39 2HD PHE 39 2.937 3.563 -2.966 285 HE1 PHE 39 1HE PHE 39 -1.421 2.035 -1.159 286 HE2 PHE 39 2HE PHE 39 2.407 1.185 -2.940 287 HZ PHE 39 HZ PHE 39 0.235 0.377 -2.002 288 H SER 40 H SER 40 0.997 8.267 -4.927 289 HA SER 40 HA SER 40 2.359 10.328 -3.721 290 HB2 SER 40 1HB SER 40 0.317 10.261 -5.957 291 HB3 SER 40 2HB SER 40 1.290 11.694 -5.564 292 HG SER 40 HG SER 40 3.101 10.688 -6.037 293 H GLY 41 H GLY 41 1.986 11.568 -2.059 294 HA2 GLY 41 1HA GLY 41 0.927 13.137 -0.777 295 HA3 GLY 41 2HA GLY 41 -0.484 13.049 -1.833 296 H CYS 42 H CYS 42 0.255 9.868 -0.705 297 HA CYS 42 HA CYS 42 -1.765 9.938 1.439 298 HB2 CYS 42 1HB CYS 42 0.293 7.798 0.725 299 HB3 CYS 42 2HB CYS 42 -1.087 7.629 1.823 300 HG CYS 42 HG CYS 42 -2.918 8.230 -0.085 301 H THR 43 H THR 43 -0.638 11.882 2.443 302 HA THR 43 HA THR 43 2.043 11.870 3.159 303 HB THR 43 HB THR 43 1.230 13.797 4.677 304 HG1 THR 43 1HG THR 43 -0.978 14.397 4.050 305 HG21 THR 43 3HG2 THR 43 1.976 13.959 2.237 306 HG22 THR 43 1HG2 THR 43 0.909 15.243 2.804 307 HG23 THR 43 2HG2 THR 43 0.262 13.932 1.792 308 H ALA 44 H ALA 44 -0.745 11.332 5.299 309 HA ALA 44 HA ALA 44 0.679 10.713 7.655 310 HB1 ALA 44 1HB ALA 44 -1.466 9.839 8.441 311 HB2 ALA 44 2HB ALA 44 -1.771 11.297 7.492 312 HB3 ALA 44 3HB ALA 44 -2.072 9.695 6.785 313 H LEU 45 H LEU 45 0.842 8.841 4.862 314 HA LEU 45 HA LEU 45 0.386 6.219 5.999 315 HB2 LEU 45 1HB LEU 45 -0.117 6.831 3.640 316 HB3 LEU 45 2HB LEU 45 1.618 7.087 3.369 317 HG LEU 45 HG LEU 45 2.073 4.708 3.819 318 HD11 LEU 45 1HD1 LEU 45 0.162 3.116 3.813 319 HD12 LEU 45 2HD1 LEU 45 -0.969 4.485 3.964 320 HD13 LEU 45 3HD1 LEU 45 0.179 4.113 5.264 321 HD21 LEU 45 3HD2 LEU 45 -0.043 5.251 1.681 322 HD22 LEU 45 1HD2 LEU 45 1.166 3.939 1.673 323 HD23 LEU 45 2HD2 LEU 45 1.678 5.625 1.533 324 H GLU 46 H GLU 46 1.847 5.618 7.548 325 HA GLU 46 HA GLU 46 4.683 5.468 6.637 326 HB2 GLU 46 1HB GLU 46 5.320 5.327 8.964 327 HB3 GLU 46 2HB GLU 46 4.639 6.899 8.512 328 HG2 GLU 46 1HG GLU 46 2.625 6.466 9.737 329 HG3 GLU 46 2HG GLU 46 2.956 4.729 9.795 330 H LYS 47 H LYS 47 1.857 3.555 7.331 331 HA LYS 47 HA LYS 47 3.652 1.190 7.493 332 HB2 LYS 47 1HB LYS 47 0.916 1.678 8.723 333 HB3 LYS 47 2HB LYS 47 1.618 0.072 8.514 334 HG2 LYS 47 1HG LYS 47 3.708 1.194 9.765 335 HG3 LYS 47 2HG LYS 47 2.467 2.300 10.366 336 HD2 LYS 47 1HD LYS 47 1.159 0.435 11.262 337 HD3 LYS 47 2HD LYS 47 2.243 -0.745 10.467 338 HE2 LYS 47 1HE LYS 47 4.112 -0.001 11.821 339 HE3 LYS 47 2HE LYS 47 3.116 1.217 12.629 340 HZ1 LYS 47 3HZ LYS 47 1.787 -0.590 13.555 341 HZ2 LYS 47 1HZ LYS 47 3.375 -0.815 13.915 342 HZ3 LYS 47 2HZ LYS 47 2.730 -1.708 12.725 343 H LEU 48 H LEU 48 3.318 -0.576 6.393 344 HA LEU 48 HA LEU 48 1.146 -0.821 4.478 345 HB2 LEU 48 1HB LEU 48 2.989 0.468 3.375 346 HB3 LEU 48 2HB LEU 48 4.073 -0.883 3.671 347 HG LEU 48 HG LEU 48 3.414 -0.875 1.463 348 HD11 LEU 48 1HD1 LEU 48 2.879 -2.969 0.935 349 HD12 LEU 48 2HD1 LEU 48 1.758 -3.187 2.279 350 HD13 LEU 48 3HD1 LEU 48 3.522 -3.138 2.577 351 HD21 LEU 48 3HD2 LEU 48 0.497 -1.055 2.137 352 HD22 LEU 48 1HD2 LEU 48 1.212 -0.993 0.525 353 HD23 LEU 48 2HD2 LEU 48 1.336 0.417 1.595 354 H ILE 49 H ILE 49 0.777 -2.986 4.172 355 HA ILE 49 HA ILE 49 2.493 -4.985 5.565 356 HB ILE 49 HB ILE 49 -0.501 -4.709 6.118 357 HG12 ILE 49 1HG1 ILE 49 0.721 -4.594 8.567 358 HG13 ILE 49 2HG1 ILE 49 1.920 -3.769 7.600 359 HG21 ILE 49 1HG2 ILE 49 1.581 -6.667 7.162 360 HG22 ILE 49 2HG2 ILE 49 -0.092 -6.558 7.738 361 HG23 ILE 49 3HG2 ILE 49 0.228 -7.072 6.090 362 HD11 ILE 49 3HD1 ILE 49 0.394 -2.174 8.623 363 HD12 ILE 49 1HD1 ILE 49 0.172 -2.126 6.866 364 HD13 ILE 49 2HD1 ILE 49 -1.005 -2.981 7.886 365 H LEU 50 H LEU 50 2.543 -6.926 4.516 366 HA LEU 50 HA LEU 50 0.932 -7.154 1.997 367 HB2 LEU 50 1HB LEU 50 3.786 -7.988 2.611 368 HB3 LEU 50 2HB LEU 50 2.933 -8.399 1.130 369 HG LEU 50 HG LEU 50 3.802 -5.633 2.076 370 HD11 LEU 50 1HD1 LEU 50 5.254 -5.682 0.111 371 HD12 LEU 50 2HD1 LEU 50 4.630 -7.289 -0.345 372 HD13 LEU 50 3HD1 LEU 50 5.584 -7.088 1.133 373 HD21 LEU 50 3HD2 LEU 50 2.181 -6.431 -0.363 374 HD22 LEU 50 1HD2 LEU 50 3.025 -4.882 -0.225 375 HD23 LEU 50 2HD2 LEU 50 1.733 -5.285 0.921 376 H THR 51 H THR 51 -0.576 -8.783 2.236 377 HA THR 51 HA THR 51 -0.196 -10.681 4.377 378 HB THR 51 HB THR 51 -2.452 -11.245 4.180 379 HG1 THR 51 1HG THR 51 -3.005 -11.542 2.163 380 HG21 THR 51 3HG2 THR 51 -2.344 -8.306 3.392 381 HG22 THR 51 1HG2 THR 51 -2.045 -8.926 5.033 382 HG23 THR 51 2HG2 THR 51 -3.633 -9.144 4.269 383 H GLY 52 H GLY 52 1.051 -10.832 1.359 384 HA2 GLY 52 1HA GLY 52 0.506 -13.705 0.878 385 HA3 GLY 52 2HA GLY 52 1.360 -12.595 -0.198 386 H GLU 53 H GLU 53 2.669 -14.820 0.049 387 HA GLU 53 HA GLU 53 4.686 -14.542 2.209 388 HB2 GLU 53 1HB GLU 53 4.427 -16.615 2.902 389 HB3 GLU 53 2HB GLU 53 2.757 -16.191 2.550 390 HG2 GLU 53 1HG GLU 53 4.003 -17.262 0.160 391 HG3 GLU 53 2HG GLU 53 4.416 -18.251 1.540 392 H ASP 54 H ASP 54 4.454 -14.138 -0.974 393 HA ASP 54 HA ASP 54 7.161 -15.190 -1.576 394 HB2 ASP 54 1HB ASP 54 5.705 -16.907 -2.402 395 HB3 ASP 54 2HB ASP 54 4.552 -15.732 -3.029 396 HA PRO 55 HA PRO 55 7.175 -11.006 -3.095 397 HB2 PRO 55 1HB PRO 55 9.459 -11.043 -4.691 398 HB3 PRO 55 2HB PRO 55 9.434 -10.853 -2.927 399 HG2 PRO 55 1HG PRO 55 10.067 -13.278 -4.554 400 HG3 PRO 55 2HG PRO 55 10.693 -12.826 -2.963 401 HD2 PRO 55 1HD PRO 55 8.738 -14.744 -3.407 402 HD3 PRO 55 2HD PRO 55 8.946 -13.848 -1.875 403 H SER 56 H SER 56 7.289 -13.647 -5.487 404 HA SER 56 HA SER 56 6.798 -11.903 -7.763 405 HB2 SER 56 1HB SER 56 6.783 -14.937 -7.482 406 HB3 SER 56 2HB SER 56 6.824 -13.997 -8.988 407 HG SER 56 HG SER 56 8.818 -13.052 -8.188 408 H ALA 57 H ALA 57 4.896 -13.574 -5.399 409 HA ALA 57 HA ALA 57 2.354 -13.378 -6.675 410 HB1 ALA 57 1HB ALA 57 2.933 -13.012 -3.704 411 HB2 ALA 57 2HB ALA 57 1.449 -13.621 -4.456 412 HB3 ALA 57 3HB ALA 57 2.919 -14.604 -4.505 413 H TYR 58 H TYR 58 4.461 -10.798 -5.991 414 HA TYR 58 HA TYR 58 2.188 -8.878 -6.098 415 HB2 TYR 58 1HB TYR 58 4.746 -8.716 -4.489 416 HB3 TYR 58 2HB TYR 58 3.784 -7.307 -4.886 417 HD1 TYR 58 1HD TYR 58 3.899 -10.391 -2.895 418 HD2 TYR 58 2HD TYR 58 1.587 -6.894 -3.889 419 HE1 TYR 58 1HE TYR 58 2.547 -10.713 -0.854 420 HE2 TYR 58 2HE TYR 58 0.208 -7.219 -1.861 421 HH TYR 58 HH TYR 58 -0.124 -8.496 0.079 422 H SER 59 H SER 59 2.913 -6.754 -7.016 423 HA SER 59 HA SER 59 5.245 -6.857 -8.815 424 HB2 SER 59 1HB SER 59 2.497 -5.909 -9.680 425 HB3 SER 59 2HB SER 59 3.952 -6.023 -10.671 426 HG SER 59 HG SER 59 2.037 -7.799 -10.268 427 H ALA 60 H ALA 60 6.206 -4.868 -8.811 428 HA ALA 60 HA ALA 60 4.900 -2.453 -7.703 429 HB1 ALA 60 1HB ALA 60 7.068 -1.885 -6.680 430 HB2 ALA 60 2HB ALA 60 6.305 -3.294 -5.907 431 HB3 ALA 60 3HB ALA 60 7.656 -3.521 -7.029 432 H GLY 61 H GLY 61 6.381 -0.559 -8.554 433 HA2 GLY 61 1HA GLY 61 7.307 -1.083 -11.342 434 HA3 GLY 61 2HA GLY 61 6.431 0.362 -10.800 435 H ASP 62 H ASP 62 8.129 1.835 -11.294 436 HA ASP 62 HA ASP 62 10.823 1.398 -10.295 437 HB2 ASP 62 1HB ASP 62 9.414 3.502 -11.898 438 HB3 ASP 62 2HB ASP 62 10.860 3.991 -11.021 439 H GLY 63 H GLY 63 8.023 2.405 -8.666 440 HA2 GLY 63 1HA GLY 63 9.561 3.626 -6.463 441 HA3 GLY 63 2HA GLY 63 8.467 4.678 -7.372 442 H LEU 64 H LEU 64 8.451 1.391 -5.931 443 HA LEU 64 HA LEU 64 5.839 0.835 -5.593 444 HB2 LEU 64 1HB LEU 64 7.576 -0.667 -4.872 445 HB3 LEU 64 2HB LEU 64 8.030 0.388 -3.536 446 HG LEU 64 HG LEU 64 5.913 -0.011 -2.395 447 HD11 LEU 64 1HD1 LEU 64 4.275 -0.158 -4.132 448 HD12 LEU 64 2HD1 LEU 64 4.296 -1.726 -3.348 449 HD13 LEU 64 3HD1 LEU 64 5.112 -1.517 -4.904 450 HD21 LEU 64 3HD2 LEU 64 6.032 -2.451 -2.036 451 HD22 LEU 64 1HD2 LEU 64 7.619 -1.674 -2.028 452 HD23 LEU 64 2HD2 LEU 64 7.107 -2.594 -3.456 453 H ARG 65 H ARG 65 7.723 3.017 -3.469 454 HA ARG 65 HA ARG 65 5.237 3.692 -1.966 455 HB2 ARG 65 1HB ARG 65 6.594 4.008 0.009 456 HB3 ARG 65 2HB ARG 65 6.867 2.391 -0.651 457 HG2 ARG 65 1HG ARG 65 8.990 3.204 -1.682 458 HG3 ARG 65 2HG ARG 65 8.697 4.780 -0.943 459 HD2 ARG 65 1HD ARG 65 8.482 3.112 1.238 460 HD3 ARG 65 2HD ARG 65 9.683 2.250 0.281 461 HE ARG 65 HE ARG 65 9.992 4.703 1.783 462 HH11 ARG 65 1HH1 ARG 65 11.370 3.681 -1.313 463 HH12 ARG 65 2HH1 ARG 65 12.995 3.767 -0.746 464 HH21 ARG 65 1HH2 ARG 65 11.894 5.539 2.156 465 HH22 ARG 65 2HH2 ARG 65 13.295 5.195 1.193 466 H ASP 66 H ASP 66 6.468 4.979 -4.507 467 HA ASP 66 HA ASP 66 7.781 7.363 -3.671 468 HB2 ASP 66 1HB ASP 66 7.820 6.313 -5.996 469 HB3 ASP 66 2HB ASP 66 6.231 7.033 -6.270 470 H GLY 67 H GLY 67 7.036 9.518 -3.520 471 HA2 GLY 67 1HA GLY 67 5.596 11.226 -3.159 472 HA3 GLY 67 2HA GLY 67 4.283 10.212 -3.738 473 H ALA 68 H ALA 68 5.740 8.398 -1.419 474 HA ALA 68 HA ALA 68 4.739 9.599 1.054 475 HB1 ALA 68 1HB ALA 68 3.697 7.383 1.660 476 HB2 ALA 68 2HB ALA 68 2.878 8.118 0.273 477 HB3 ALA 68 3HB ALA 68 4.036 6.790 0.025 478 H ASP 69 H ASP 69 5.547 7.793 2.825 479 HA ASP 69 HA ASP 69 7.922 6.382 1.915 480 HB2 ASP 69 1HB ASP 69 8.873 8.647 2.208 481 HB3 ASP 69 2HB ASP 69 8.330 8.671 3.879 482 H PHE 70 H PHE 70 7.088 4.504 2.694 483 HA PHE 70 HA PHE 70 6.408 4.351 5.580 484 HB2 PHE 70 1HB PHE 70 4.617 2.767 4.930 485 HB3 PHE 70 2HB PHE 70 4.359 4.430 4.418 486 HD1 PHE 70 1HD PHE 70 5.621 1.107 3.232 487 HD2 PHE 70 2HD PHE 70 3.872 4.896 2.157 488 HE1 PHE 70 1HE PHE 70 5.304 0.312 0.934 489 HE2 PHE 70 2HE PHE 70 3.434 4.061 -0.129 490 HZ PHE 70 HZ PHE 70 4.149 1.771 -0.772 491 H LEU 71 H LEU 71 6.346 2.167 6.338 492 HA LEU 71 HA LEU 71 8.713 0.560 5.455 493 HB2 LEU 71 1HB LEU 71 7.176 0.770 8.080 494 HB3 LEU 71 2HB LEU 71 8.229 -0.595 7.739 495 HG LEU 71 HG LEU 71 9.167 2.310 7.797 496 HD11 LEU 71 1HD1 LEU 71 8.429 1.381 10.028 497 HD12 LEU 71 2HD1 LEU 71 10.181 1.698 9.941 498 HD13 LEU 71 3HD1 LEU 71 9.558 0.044 9.773 499 HD21 LEU 71 3HD2 LEU 71 10.673 -0.353 7.641 500 HD22 LEU 71 1HD2 LEU 71 11.433 1.228 7.923 501 HD23 LEU 71 2HD2 LEU 71 10.631 0.917 6.391 502 H ILE 72 H ILE 72 8.425 -1.684 5.234 503 HA ILE 72 HA ILE 72 5.695 -2.475 4.364 504 HB ILE 72 HB ILE 72 8.448 -2.966 3.203 505 HG12 ILE 72 1HG1 ILE 72 6.051 -1.489 2.022 506 HG13 ILE 72 2HG1 ILE 72 7.313 -0.643 2.901 507 HG21 ILE 72 1HG2 ILE 72 7.277 -4.113 1.329 508 HG22 ILE 72 2HG2 ILE 72 7.022 -4.957 2.852 509 HG23 ILE 72 3HG2 ILE 72 5.734 -3.931 2.185 510 HD11 ILE 72 3HD1 ILE 72 7.703 -0.377 0.565 511 HD12 ILE 72 1HD1 ILE 72 9.011 -1.324 1.291 512 HD13 ILE 72 2HD1 ILE 72 7.736 -2.128 0.316 513 H CYS 73 H CYS 73 4.962 -3.829 5.991 514 HA CYS 73 HA CYS 73 6.916 -5.566 7.319 515 HB2 CYS 73 1HB CYS 73 3.950 -5.202 7.878 516 HB3 CYS 73 2HB CYS 73 5.122 -6.128 8.848 517 HG CYS 73 HG CYS 73 4.979 -2.879 8.238 518 H VAL 74 H VAL 74 7.010 -7.785 7.072 519 HA VAL 74 HA VAL 74 5.102 -9.194 5.291 520 HB VAL 74 HB VAL 74 6.996 -10.193 4.119 521 HG11 VAL 74 1HG1 VAL 74 7.312 -7.174 3.985 522 HG12 VAL 74 2HG1 VAL 74 7.697 -8.383 2.730 523 HG13 VAL 74 3HG1 VAL 74 6.011 -8.111 3.203 524 HG21 VAL 74 3HG2 VAL 74 8.753 -8.423 5.887 525 HG22 VAL 74 1HG2 VAL 74 8.803 -10.192 5.642 526 HG23 VAL 74 2HG2 VAL 74 9.303 -9.127 4.363 527 HA PRO 75 HA PRO 75 5.488 -12.224 8.526 528 HB2 PRO 75 1HB PRO 75 5.261 -14.669 7.276 529 HB3 PRO 75 2HB PRO 75 3.896 -13.560 7.516 530 HG2 PRO 75 1HG PRO 75 5.514 -14.019 5.042 531 HG3 PRO 75 2HG PRO 75 3.755 -13.743 5.180 532 HD2 PRO 75 1HD PRO 75 5.606 -11.804 4.483 533 HD3 PRO 75 2HD PRO 75 4.041 -11.431 5.257 534 H GLU 76 H GLU 76 7.152 -13.328 9.570 535 HA GLU 76 HA GLU 76 9.749 -13.027 8.647 536 HB2 GLU 76 1HB GLU 76 10.567 -14.398 10.384 537 HB3 GLU 76 2HB GLU 76 9.288 -13.333 10.989 538 HG2 GLU 76 1HG GLU 76 7.773 -15.132 11.249 539 HG3 GLU 76 2HG GLU 76 8.733 -16.237 10.258 540 H GLU 77 H GLU 77 7.648 -15.794 8.155 541 HA GLU 77 HA GLU 77 9.371 -17.721 7.170 542 HB2 GLU 77 1HB GLU 77 7.054 -17.708 8.197 543 HB3 GLU 77 2HB GLU 77 6.409 -17.156 6.651 544 HG2 GLU 77 1HG GLU 77 6.933 -19.243 5.630 545 HG3 GLU 77 2HG GLU 77 8.032 -19.684 6.957 546 H ALA 78 H ALA 78 8.184 -14.796 5.628 547 HA ALA 78 HA ALA 78 9.051 -15.806 2.949 548 HB1 ALA 78 1HB ALA 78 7.663 -14.083 2.000 549 HB2 ALA 78 2HB ALA 78 6.707 -15.090 3.104 550 HB3 ALA 78 3HB ALA 78 7.259 -13.452 3.601 551 H LEU 79 H LEU 79 10.348 -14.117 5.545 552 HA LEU 79 HA LEU 79 11.063 -11.670 4.427 553 HB2 LEU 79 1HB LEU 79 11.176 -12.326 6.848 554 HB3 LEU 79 2HB LEU 79 12.641 -13.223 6.508 555 HG LEU 79 HG LEU 79 13.821 -11.166 5.875 556 HD11 LEU 79 1HD1 LEU 79 12.000 -9.779 4.929 557 HD12 LEU 79 2HD1 LEU 79 12.850 -8.919 6.219 558 HD13 LEU 79 3HD1 LEU 79 11.268 -9.630 6.541 559 HD21 LEU 79 3HD2 LEU 79 13.782 -11.812 8.259 560 HD22 LEU 79 1HD2 LEU 79 12.311 -10.838 8.500 561 HD23 LEU 79 2HD2 LEU 79 13.825 -10.041 8.094 562 H ASP 80 H ASP 80 12.940 -14.718 4.481 563 HA ASP 80 HA ASP 80 15.344 -13.581 3.364 564 HB2 ASP 80 1HB ASP 80 14.768 -15.995 4.513 565 HB3 ASP 80 2HB ASP 80 14.775 -16.448 2.793 566 H ARG 81 H ARG 81 12.536 -15.278 2.048 567 HA ARG 81 HA ARG 81 13.118 -15.511 -0.647 568 HB2 ARG 81 1HB ARG 81 10.825 -15.612 1.088 569 HB3 ARG 81 2HB ARG 81 10.340 -14.700 -0.309 570 HG2 ARG 81 1HG ARG 81 10.612 -16.508 -1.776 571 HG3 ARG 81 2HG ARG 81 11.769 -17.326 -0.703 572 HD2 ARG 81 1HD ARG 81 9.985 -17.683 0.981 573 HD3 ARG 81 2HD ARG 81 8.826 -16.887 -0.090 574 HE ARG 81 HE ARG 81 8.788 -18.692 -1.522 575 HH11 ARG 81 1HH1 ARG 81 11.318 -19.619 0.769 576 HH12 ARG 81 2HH1 ARG 81 10.569 -21.144 1.174 577 HH21 ARG 81 1HH2 ARG 81 7.799 -20.687 -0.941 578 HH22 ARG 81 2HH2 ARG 81 8.643 -21.801 0.086 579 H TYR 82 H TYR 82 11.508 -12.613 0.868 580 HA TYR 82 HA TYR 82 11.559 -11.161 -1.645 581 HB2 TYR 82 1HB TYR 82 11.075 -10.335 1.236 582 HB3 TYR 82 2HB TYR 82 11.173 -9.173 -0.064 583 HD1 TYR 82 1HD TYR 82 9.365 -12.513 0.320 584 HD2 TYR 82 2HD TYR 82 9.111 -8.297 -0.631 585 HE1 TYR 82 1HE TYR 82 6.943 -12.720 0.044 586 HE2 TYR 82 2HE TYR 82 6.686 -8.539 -1.000 587 HH TYR 82 HH TYR 82 5.170 -11.570 -1.324 588 H ARG 83 H ARG 83 13.652 -11.247 1.303 589 HA ARG 83 HA ARG 83 15.346 -9.078 0.501 590 HB2 ARG 83 1HB ARG 83 15.715 -11.488 2.337 591 HB3 ARG 83 2HB ARG 83 17.032 -10.388 1.982 592 HG2 ARG 83 1HG ARG 83 15.363 -8.483 2.721 593 HG3 ARG 83 2HG ARG 83 14.431 -9.799 3.444 594 HD2 ARG 83 1HD ARG 83 15.927 -8.943 5.131 595 HD3 ARG 83 2HD ARG 83 16.542 -10.527 4.647 596 HE ARG 83 HE ARG 83 17.823 -8.795 2.934 597 HH11 ARG 83 1HH1 ARG 83 17.624 -8.893 6.484 598 HH12 ARG 83 2HH1 ARG 83 19.191 -8.210 6.710 599 HH21 ARG 83 1HH2 ARG 83 19.892 -8.181 3.198 600 HH22 ARG 83 2HH2 ARG 83 20.653 -8.215 4.781 601 H ARG 84 H ARG 84 15.294 -12.425 -0.560 602 HA ARG 84 HA ARG 84 17.867 -12.245 -1.967 603 HB2 ARG 84 1HB ARG 84 15.607 -14.303 -1.758 604 HB3 ARG 84 2HB ARG 84 16.861 -14.439 -2.962 605 HG2 ARG 84 1HG ARG 84 18.434 -14.114 -0.784 606 HG3 ARG 84 2HG ARG 84 17.007 -14.774 0.009 607 HD2 ARG 84 1HD ARG 84 18.671 -16.497 -0.577 608 HD3 ARG 84 2HD ARG 84 17.069 -16.770 -1.261 609 HE ARG 84 HE ARG 84 17.952 -16.576 -3.366 610 HH11 ARG 84 1HH1 ARG 84 20.277 -14.956 -1.181 611 HH12 ARG 84 2HH1 ARG 84 21.306 -14.436 -2.476 612 HH21 ARG 84 1HH2 ARG 84 19.287 -15.719 -5.042 613 HH22 ARG 84 2HH2 ARG 84 20.790 -14.954 -4.712 614 H ASP 85 H ASP 85 14.726 -11.099 -2.634 615 HA ASP 85 HA ASP 85 14.267 -12.315 -5.127 616 HB2 ASP 85 1HB ASP 85 12.576 -11.235 -3.630 617 HB3 ASP 85 2HB ASP 85 13.265 -9.669 -4.106 618 H TYR 86 H TYR 86 14.520 -11.646 -7.242 619 HA TYR 86 HA TYR 86 16.740 -9.977 -7.944 620 HB2 TYR 86 1HB TYR 86 15.693 -12.167 -8.895 621 HB3 TYR 86 2HB TYR 86 14.621 -11.110 -9.784 622 HD1 TYR 86 2HD TYR 86 17.492 -9.176 -9.875 623 HD2 TYR 86 1HD TYR 86 15.990 -12.946 -11.355 624 HE1 TYR 86 2HE TYR 86 19.290 -9.234 -11.548 625 HE2 TYR 86 1HE TYR 86 17.786 -13.021 -13.023 626 HH TYR 86 HH TYR 86 19.827 -12.149 -13.593 627 H PHE 87 H PHE 87 14.551 -8.700 -6.742 628 HA PHE 87 HA PHE 87 14.367 -6.322 -8.307 629 HB2 PHE 87 1HB PHE 87 12.463 -7.433 -9.305 630 HB3 PHE 87 2HB PHE 87 11.747 -7.744 -7.738 631 HD1 PHE 87 2HD PHE 87 12.878 -4.309 -7.614 632 HD2 PHE 87 1HD PHE 87 9.860 -6.937 -9.277 633 HE1 PHE 87 2HE PHE 87 11.349 -2.417 -7.861 634 HE2 PHE 87 1HE PHE 87 8.363 -4.997 -9.554 635 HZ PHE 87 HZ PHE 87 9.106 -2.749 -8.864 636 H TRP 88 H TRP 88 12.487 -7.843 -5.619 637 HA TRP 88 HA TRP 88 12.196 -5.496 -4.136 638 HB2 TRP 88 1HB TRP 88 12.040 -8.358 -3.127 639 HB3 TRP 88 2HB TRP 88 11.652 -6.974 -2.182 640 HD1 TRP 88 HD TRP 88 10.245 -8.875 -5.246 641 HE1 TRP 88 1HE TRP 88 7.768 -8.396 -5.416 642 HE3 TRP 88 3HE TRP 88 9.932 -5.329 -1.633 643 HZ2 TRP 88 2HZ TRP 88 5.827 -6.665 -4.080 644 HZ3 TRP 88 3HZ TRP 88 7.760 -4.268 -1.073 645 HH2 TRP 88 HH TRP 88 5.683 -4.957 -2.280 646 H GLN 89 H GLN 89 15.147 -7.452 -4.157 647 HA GLN 89 HA GLN 89 16.403 -7.009 -1.829 648 HB2 GLN 89 1HB GLN 89 17.168 -6.971 -4.747 649 HB3 GLN 89 2HB GLN 89 18.367 -6.334 -3.623 650 HG2 GLN 89 1HG GLN 89 18.307 -8.337 -2.316 651 HG3 GLN 89 2HG GLN 89 17.082 -9.073 -3.341 652 HE21 GLN 89 1HE2 GLN 89 17.637 -9.563 -5.535 653 HE22 GLN 89 2HE2 GLN 89 19.280 -9.861 -6.061 654 H THR 90 H THR 90 16.000 -4.485 -4.348 655 HA THR 90 HA THR 90 17.738 -2.647 -3.034 656 HB THR 90 HB THR 90 17.293 -2.707 -5.444 657 HG1 THR 90 1HG THR 90 16.821 -0.287 -4.058 658 HG21 THR 90 3HG2 THR 90 14.744 -2.959 -5.253 659 HG22 THR 90 1HG2 THR 90 15.367 -1.843 -6.468 660 HG23 THR 90 2HG2 THR 90 14.707 -1.207 -4.950 661 H TYR 91 H TYR 91 14.599 -3.512 -1.995 662 HA TYR 91 HA TYR 91 14.406 -0.943 -0.486 663 HB2 TYR 91 1HB TYR 91 12.182 -2.799 -1.373 664 HB3 TYR 91 2HB TYR 91 11.996 -1.503 -0.210 665 HD1 TYR 91 1HD TYR 91 12.740 -2.168 -3.805 666 HD2 TYR 91 2HD TYR 91 11.611 0.737 -0.792 667 HE1 TYR 91 1HE TYR 91 11.947 -0.650 -5.559 668 HE2 TYR 91 2HE TYR 91 10.800 2.256 -2.590 669 HH TYR 91 HH TYR 91 10.356 1.088 -5.826 670 H ALA 92 H ALA 92 15.895 -3.666 0.100 671 HA ALA 92 HA ALA 92 14.379 -4.947 2.175 672 HB1 ALA 92 1HB ALA 92 17.359 -4.917 1.667 673 HB2 ALA 92 2HB ALA 92 16.502 -6.038 2.739 674 HB3 ALA 92 3HB ALA 92 16.209 -6.084 0.990 675 H ALA 93 H ALA 93 16.438 -2.093 2.090 676 HA ALA 93 HA ALA 93 16.777 -1.685 4.813 677 HB1 ALA 93 1HB ALA 93 17.011 0.728 4.204 678 HB2 ALA 93 2HB ALA 93 17.929 -0.353 3.151 679 HB3 ALA 93 3HB ALA 93 16.396 0.356 2.588 680 H TRP 94 H TRP 94 13.674 -1.742 3.255 681 HA TRP 94 HA TRP 94 12.484 -0.380 5.632 682 HB2 TRP 94 1HB TRP 94 11.512 -0.231 2.765 683 HB3 TRP 94 2HB TRP 94 10.688 0.453 4.154 684 HD1 TRP 94 HD TRP 94 11.723 2.690 5.253 685 HE1 TRP 94 1HE TRP 94 13.350 4.455 4.368 686 HE3 TRP 94 3HE TRP 94 13.454 0.196 1.171 687 HZ2 TRP 94 2HZ TRP 94 15.431 4.606 2.370 688 HZ3 TRP 94 3HZ TRP 94 15.270 1.193 -0.259 689 HH2 TRP 94 HH TRP 94 16.256 3.372 0.356 690 H ILE 95 H ILE 95 12.993 -3.352 4.457 691 HA ILE 95 HA ILE 95 10.208 -4.336 4.764 692 HB ILE 95 HB ILE 95 12.714 -5.681 3.725 693 HG12 ILE 95 1HG1 ILE 95 10.079 -5.101 2.299 694 HG13 ILE 95 2HG1 ILE 95 11.481 -4.050 2.214 695 HG21 ILE 95 1HG2 ILE 95 11.314 -7.308 5.001 696 HG22 ILE 95 2HG2 ILE 95 9.901 -6.835 4.039 697 HG23 ILE 95 3HG2 ILE 95 11.283 -7.665 3.286 698 HD11 ILE 95 3HD1 ILE 95 11.624 -5.373 0.263 699 HD12 ILE 95 1HD1 ILE 95 12.821 -6.054 1.358 700 HD13 ILE 95 2HD1 ILE 95 11.260 -6.873 1.138 701 H GLN 96 H GLN 96 9.620 -5.115 6.743 702 HA GLN 96 HA GLN 96 11.683 -6.319 8.471 703 HB2 GLN 96 1HB GLN 96 10.425 -5.219 10.449 704 HB3 GLN 96 2HB GLN 96 11.661 -4.290 9.613 705 HG2 GLN 96 1HG GLN 96 10.116 -2.860 8.652 706 HG3 GLN 96 2HG GLN 96 8.752 -3.973 8.812 707 HE21 GLN 96 1HE2 GLN 96 7.979 -4.487 11.042 708 HE22 GLN 96 2HE2 GLN 96 8.183 -3.285 12.296 709 HA PRO 97 HA PRO 97 8.581 -9.301 9.246 710 HB2 PRO 97 1HB PRO 97 8.930 -9.853 11.991 711 HB3 PRO 97 2HB PRO 97 9.797 -10.599 10.629 712 HG2 PRO 97 1HG PRO 97 10.658 -8.333 12.392 713 HG3 PRO 97 2HG PRO 97 11.653 -9.625 11.653 714 HD2 PRO 97 1HD PRO 97 11.555 -7.054 10.697 715 HD3 PRO 97 2HD PRO 97 11.787 -8.474 9.630 716 H MET 98 H MET 98 6.677 -9.701 9.818 717 HA MET 98 HA MET 98 4.976 -7.648 11.079 718 HB2 MET 98 1HB MET 98 4.421 -10.521 10.176 719 HB3 MET 98 2HB MET 98 3.215 -9.493 10.966 720 HG2 MET 98 1HG MET 98 3.863 -7.727 9.179 721 HG3 MET 98 2HG MET 98 4.546 -9.110 8.318 722 HE1 MET 98 3HE MET 98 1.366 -11.125 7.347 723 HE2 MET 98 1HE MET 98 3.110 -10.901 7.120 724 HE3 MET 98 2HE MET 98 2.489 -11.463 8.697 725 H GLU 99 H GLU 99 3.702 -8.031 12.880 726 HA GLU 99 HA GLU 99 4.946 -9.538 15.137 727 HB2 GLU 99 1HB GLU 99 3.531 -6.899 14.822 728 HB3 GLU 99 2HB GLU 99 3.081 -7.788 16.228 729 HG2 GLU 99 1HG GLU 99 5.995 -7.276 15.503 730 HG3 GLU 99 2HG GLU 99 5.022 -6.186 16.506 731 H GLN 100 H GLN 100 2.969 -9.897 16.757 732 HA GLN 100 HA GLN 100 0.721 -11.211 15.337 733 HB2 GLN 100 1HB GLN 100 1.884 -11.964 17.749 734 HB3 GLN 100 2HB GLN 100 0.538 -10.987 18.311 735 HG2 GLN 100 1HG GLN 100 0.211 -13.243 16.280 736 HG3 GLN 100 2HG GLN 100 0.165 -13.504 18.010 737 HE21 GLN 100 1HE2 GLN 100 -1.423 -10.645 16.350 738 HE22 GLN 100 2HE2 GLN 100 -3.000 -11.120 16.936 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -13.801 13.107 -5.832 2 HA2 GLY 1 1HA GLY 1 -15.923 11.683 -7.340 3 HA3 GLY 1 2HA GLY 1 -15.020 10.914 -6.025 4 H SER 2 H SER 2 -17.953 11.907 -6.501 5 HA SER 2 HA SER 2 -18.384 13.855 -4.353 6 HB2 SER 2 1HB SER 2 -20.784 13.470 -5.090 7 HB3 SER 2 2HB SER 2 -19.694 14.096 -6.343 8 HG SER 2 HG SER 2 -20.323 11.326 -6.005 9 H HIS 3 H HIS 3 -18.471 13.103 -2.225 10 HA HIS 3 HA HIS 3 -18.895 11.812 -0.446 11 HB2 HIS 3 1HB HIS 3 -21.392 11.098 -2.019 12 HB3 HIS 3 2HB HIS 3 -21.159 10.881 -0.282 13 HD1 HIS 3 1HD HIS 3 -20.739 13.320 1.115 14 HD2 HIS 3 2HD HIS 3 -22.503 13.318 -2.725 15 HE1 HIS 3 1HE HIS 3 -22.060 15.489 0.928 16 H GLU 4 H GLU 4 -16.995 10.688 -1.746 17 HA GLU 4 HA GLU 4 -17.318 7.837 -1.244 18 HB2 GLU 4 1HB GLU 4 -17.077 8.994 -3.985 19 HB3 GLU 4 2HB GLU 4 -15.906 7.737 -3.650 20 HG2 GLU 4 1HG GLU 4 -17.499 6.074 -3.379 21 HG3 GLU 4 2HG GLU 4 -18.768 7.181 -2.890 22 H GLY 5 H GLY 5 -14.807 6.952 -1.871 23 HA2 GLY 5 1HA GLY 5 -12.479 7.930 -1.823 24 HA3 GLY 5 2HA GLY 5 -12.978 8.805 -0.373 25 H GLU 6 H GLU 6 -12.574 5.595 -1.763 26 HA GLU 6 HA GLU 6 -12.399 4.376 0.950 27 HB2 GLU 6 1HB GLU 6 -13.010 2.258 -0.253 28 HB3 GLU 6 2HB GLU 6 -14.267 3.439 0.041 29 HG2 GLU 6 1HG GLU 6 -12.867 3.541 -2.637 30 HG3 GLU 6 2HG GLU 6 -13.956 2.206 -2.320 31 HA PRO 7 HA PRO 7 -8.160 4.002 -0.872 32 HB2 PRO 7 1HB PRO 7 -6.685 4.601 1.308 33 HB3 PRO 7 2HB PRO 7 -7.619 5.868 0.466 34 HG2 PRO 7 1HG PRO 7 -8.551 4.219 2.876 35 HG3 PRO 7 2HG PRO 7 -8.439 5.997 2.781 36 HD2 PRO 7 1HD PRO 7 -10.748 4.730 2.225 37 HD3 PRO 7 2HD PRO 7 -10.228 6.108 1.211 38 H VAL 8 H VAL 8 -9.332 1.735 -0.855 39 HA VAL 8 HA VAL 8 -7.806 -0.084 0.904 40 HB VAL 8 HB VAL 8 -10.069 0.464 1.870 41 HG11 VAL 8 1HG1 VAL 8 -11.365 0.450 -0.265 42 HG12 VAL 8 2HG1 VAL 8 -11.134 -1.314 -0.353 43 HG13 VAL 8 3HG1 VAL 8 -12.050 -0.598 0.984 44 HG21 VAL 8 3HG2 VAL 8 -10.509 -1.781 2.619 45 HG22 VAL 8 1HG2 VAL 8 -9.590 -2.474 1.282 46 HG23 VAL 8 2HG2 VAL 8 -8.758 -1.521 2.535 47 H VAL 9 H VAL 9 -8.038 -2.415 0.064 48 HA VAL 9 HA VAL 9 -7.271 -2.103 -2.775 49 HB VAL 9 HB VAL 9 -5.446 -2.224 -1.266 50 HG11 VAL 9 1HG1 VAL 9 -6.385 -3.358 0.676 51 HG12 VAL 9 2HG1 VAL 9 -6.384 -4.894 -0.216 52 HG13 VAL 9 3HG1 VAL 9 -4.863 -4.037 0.148 53 HG21 VAL 9 3HG2 VAL 9 -5.282 -3.275 -3.473 54 HG22 VAL 9 1HG2 VAL 9 -4.169 -3.954 -2.258 55 HG23 VAL 9 2HG2 VAL 9 -5.619 -4.851 -2.706 56 H GLY 10 H GLY 10 -9.540 -2.429 -3.230 57 HA2 GLY 10 1HA GLY 10 -10.402 -5.283 -3.237 58 HA3 GLY 10 2HA GLY 10 -11.458 -3.865 -3.258 59 H MET 11 H MET 11 -9.000 -5.596 -5.063 60 HA MET 11 HA MET 11 -8.493 -5.893 -7.227 61 HB2 MET 11 1HB MET 11 -11.470 -5.506 -7.564 62 HB3 MET 11 2HB MET 11 -10.379 -6.233 -8.740 63 HG2 MET 11 1HG MET 11 -11.345 -8.059 -7.687 64 HG3 MET 11 2HG MET 11 -9.748 -7.941 -6.971 65 HE1 MET 11 3HE MET 11 -10.150 -9.380 -4.851 66 HE2 MET 11 1HE MET 11 -9.325 -7.851 -4.475 67 HE3 MET 11 2HE MET 11 -10.601 -8.455 -3.399 68 H ASP 12 H ASP 12 -8.897 -2.779 -6.297 69 HA ASP 12 HA ASP 12 -8.218 -1.824 -9.033 70 HB2 ASP 12 1HB ASP 12 -10.651 -1.421 -8.306 71 HB3 ASP 12 2HB ASP 12 -10.016 -0.275 -7.140 72 H LYS 13 H LYS 13 -6.327 -0.786 -9.027 73 HA LYS 13 HA LYS 13 -5.367 0.628 -6.590 74 HB2 LYS 13 1HB LYS 13 -3.778 -0.372 -8.985 75 HB3 LYS 13 2HB LYS 13 -3.131 0.520 -7.614 76 HG2 LYS 13 1HG LYS 13 -4.379 -2.263 -7.506 77 HG3 LYS 13 2HG LYS 13 -2.661 -1.863 -7.601 78 HD2 LYS 13 1HD LYS 13 -2.882 -0.652 -5.411 79 HD3 LYS 13 2HD LYS 13 -4.508 -1.360 -5.250 80 HE2 LYS 13 1HE LYS 13 -3.648 -3.577 -5.211 81 HE3 LYS 13 2HE LYS 13 -2.163 -3.115 -6.029 82 HZ1 LYS 13 3HZ LYS 13 -1.447 -2.004 -4.017 83 HZ2 LYS 13 1HZ LYS 13 -1.652 -3.614 -3.870 84 HZ3 LYS 13 2HZ LYS 13 -2.778 -2.585 -3.209 85 H SER 14 H SER 14 -6.819 2.367 -7.126 86 HA SER 14 HA SER 14 -5.461 4.280 -8.875 87 HB2 SER 14 1HB SER 14 -7.340 2.729 -10.098 88 HB3 SER 14 2HB SER 14 -8.397 3.998 -9.468 89 HG SER 14 HG SER 14 -6.060 4.272 -11.073 90 H LEU 15 H LEU 15 -6.632 3.814 -5.908 91 HA LEU 15 HA LEU 15 -8.283 6.307 -5.755 92 HB2 LEU 15 1HB LEU 15 -8.826 3.845 -4.095 93 HB3 LEU 15 2HB LEU 15 -9.840 5.229 -4.433 94 HG LEU 15 HG LEU 15 -9.530 4.243 -6.992 95 HD11 LEU 15 1HD1 LEU 15 -9.597 1.903 -7.029 96 HD12 LEU 15 2HD1 LEU 15 -9.760 1.764 -5.266 97 HD13 LEU 15 3HD1 LEU 15 -8.223 2.264 -5.971 98 HD21 LEU 15 3HD2 LEU 15 -11.636 4.822 -6.108 99 HD22 LEU 15 1HD2 LEU 15 -11.614 3.458 -4.948 100 HD23 LEU 15 2HD2 LEU 15 -11.737 3.168 -6.703 101 H PHE 16 H PHE 16 -5.356 5.242 -4.726 102 HA PHE 16 HA PHE 16 -5.824 5.380 -1.837 103 HB2 PHE 16 1HB PHE 16 -3.354 4.694 -3.493 104 HB3 PHE 16 2HB PHE 16 -3.424 4.721 -1.736 105 HD1 PHE 16 2HD PHE 16 -5.182 3.162 -4.705 106 HD2 PHE 16 1HD PHE 16 -4.005 2.790 -0.581 107 HE1 PHE 16 2HE PHE 16 -6.108 0.862 -4.635 108 HE2 PHE 16 1HE PHE 16 -4.753 0.419 -0.598 109 HZ PHE 16 HZ PHE 16 -5.840 -0.514 -2.631 110 H ALA 17 H ALA 17 -4.092 7.275 -4.296 111 HA ALA 17 HA ALA 17 -2.968 9.239 -2.539 112 HB1 ALA 17 1HB ALA 17 -2.023 8.720 -4.739 113 HB2 ALA 17 2HB ALA 17 -3.562 9.134 -5.532 114 HB3 ALA 17 3HB ALA 17 -2.596 10.393 -4.762 115 H GLY 18 H GLY 18 -5.595 9.012 -1.693 116 HA2 GLY 18 1HA GLY 18 -6.700 11.699 -2.357 117 HA3 GLY 18 2HA GLY 18 -7.768 10.292 -2.426 118 H ASN 19 H ASN 19 -6.371 9.006 -0.002 119 HA ASN 19 HA ASN 19 -7.886 10.632 1.968 120 HB2 ASN 19 1HB ASN 19 -8.640 8.352 1.520 121 HB3 ASN 19 2HB ASN 19 -7.073 7.726 2.057 122 HD21 ASN 19 1HD2 ASN 19 -6.611 7.750 4.340 123 HD22 ASN 19 2HD2 ASN 19 -7.883 8.064 5.519 124 H THR 20 H THR 20 -6.395 12.105 2.641 125 HA THR 20 HA THR 20 -3.703 11.768 3.260 126 HB THR 20 HB THR 20 -4.318 14.096 4.366 127 HG1 THR 20 1HG THR 20 -6.310 14.574 4.415 128 HG21 THR 20 3HG2 THR 20 -4.499 15.097 2.159 129 HG22 THR 20 1HG2 THR 20 -5.039 13.575 1.447 130 HG23 THR 20 2HG2 THR 20 -3.378 13.743 2.068 131 H VAL 21 H VAL 21 -5.408 9.798 4.827 132 HA VAL 21 HA VAL 21 -4.423 10.393 7.549 133 HB VAL 21 HB VAL 21 -7.326 9.625 7.287 134 HG11 VAL 21 1HG1 VAL 21 -6.241 9.555 9.529 135 HG12 VAL 21 2HG1 VAL 21 -5.773 11.254 9.353 136 HG13 VAL 21 3HG1 VAL 21 -7.478 10.805 9.472 137 HG21 VAL 21 3HG2 VAL 21 -7.309 11.676 5.931 138 HG22 VAL 21 1HG2 VAL 21 -8.090 11.937 7.474 139 HG23 VAL 21 2HG2 VAL 21 -6.444 12.538 7.229 140 H ILE 22 H ILE 22 -4.272 8.221 5.127 141 HA ILE 22 HA ILE 22 -4.994 5.857 6.719 142 HB ILE 22 HB ILE 22 -5.790 5.843 4.485 143 HG12 ILE 22 1HG1 ILE 22 -3.569 3.800 4.785 144 HG13 ILE 22 2HG1 ILE 22 -5.049 3.797 5.744 145 HG21 ILE 22 1HG2 ILE 22 -4.516 5.835 2.481 146 HG22 ILE 22 2HG2 ILE 22 -3.874 7.202 3.395 147 HG23 ILE 22 3HG2 ILE 22 -2.979 5.683 3.349 148 HD11 ILE 22 3HD1 ILE 22 -4.948 3.555 2.720 149 HD12 ILE 22 1HD1 ILE 22 -5.318 2.273 3.891 150 HD13 ILE 22 2HD1 ILE 22 -6.422 3.653 3.715 151 H ARG 23 H ARG 23 -3.547 5.620 8.254 152 HA ARG 23 HA ARG 23 -0.679 6.166 7.858 153 HB2 ARG 23 1HB ARG 23 -2.455 5.310 10.155 154 HB3 ARG 23 2HB ARG 23 -0.738 4.871 10.215 155 HG2 ARG 23 1HG ARG 23 -0.011 7.092 10.010 156 HG3 ARG 23 2HG ARG 23 -1.620 7.702 9.581 157 HD2 ARG 23 1HD ARG 23 -2.402 7.407 11.833 158 HD3 ARG 23 2HD ARG 23 -0.907 6.563 12.300 159 HE ARG 23 HE ARG 23 0.101 8.853 11.347 160 HH11 ARG 23 1HH1 ARG 23 -2.453 8.377 13.792 161 HH12 ARG 23 2HH1 ARG 23 -2.032 9.856 14.620 162 HH21 ARG 23 1HH2 ARG 23 0.621 10.753 12.507 163 HH22 ARG 23 2HH2 ARG 23 -0.256 11.136 13.945 164 H GLU 24 H GLU 24 -2.932 3.527 7.459 165 HA GLU 24 HA GLU 24 -0.639 1.611 7.335 166 HB2 GLU 24 1HB GLU 24 -3.295 1.148 8.737 167 HB3 GLU 24 2HB GLU 24 -1.931 0.026 8.580 168 HG2 GLU 24 1HG GLU 24 -0.535 1.939 9.697 169 HG3 GLU 24 2HG GLU 24 -2.101 2.573 10.212 170 H ILE 25 H ILE 25 -0.543 0.504 5.506 171 HA ILE 25 HA ILE 25 -3.065 -0.050 3.998 172 HB ILE 25 HB ILE 25 -0.362 0.616 2.793 173 HG12 ILE 25 1HG1 ILE 25 -2.925 2.240 3.086 174 HG13 ILE 25 2HG1 ILE 25 -1.383 2.593 3.781 175 HG21 ILE 25 1HG2 ILE 25 -3.061 0.308 1.400 176 HG22 ILE 25 2HG2 ILE 25 -1.449 0.422 0.657 177 HG23 ILE 25 3HG2 ILE 25 -1.931 -1.025 1.550 178 HD11 ILE 25 3HD1 ILE 25 -0.475 2.934 1.447 179 HD12 ILE 25 1HD1 ILE 25 -2.137 2.726 0.845 180 HD13 ILE 25 2HD1 ILE 25 -1.752 4.073 1.917 181 H THR 26 H THR 26 -3.314 -1.986 5.044 182 HA THR 26 HA THR 26 -1.473 -4.186 4.708 183 HB THR 26 HB THR 26 -4.508 -4.308 4.927 184 HG1 THR 26 1HG THR 26 -3.921 -3.015 6.624 185 HG21 THR 26 3HG2 THR 26 -3.304 -6.443 4.505 186 HG22 THR 26 1HG2 THR 26 -4.027 -6.413 6.128 187 HG23 THR 26 2HG2 THR 26 -2.288 -6.151 5.933 188 H VAL 27 H VAL 27 -1.152 -5.290 2.791 189 HA VAL 27 HA VAL 27 -3.032 -4.938 0.536 190 HB VAL 27 HB VAL 27 -0.037 -5.296 0.256 191 HG11 VAL 27 1HG1 VAL 27 -1.438 -5.817 -1.756 192 HG12 VAL 27 2HG1 VAL 27 -2.129 -4.188 -1.643 193 HG13 VAL 27 3HG1 VAL 27 -0.398 -4.422 -2.004 194 HG21 VAL 27 3HG2 VAL 27 -1.569 -2.673 0.194 195 HG22 VAL 27 1HG2 VAL 27 -0.289 -3.117 1.356 196 HG23 VAL 27 2HG2 VAL 27 0.114 -2.886 -0.343 197 H GLN 28 H GLN 28 -2.997 -6.855 -0.922 198 HA GLN 28 HA GLN 28 -2.349 -9.362 0.500 199 HB2 GLN 28 1HB GLN 28 -4.824 -8.809 -1.207 200 HB3 GLN 28 2HB GLN 28 -4.450 -10.293 -0.337 201 HG2 GLN 28 1HG GLN 28 -4.512 -8.835 1.818 202 HG3 GLN 28 2HG GLN 28 -5.283 -7.611 0.813 203 HE21 GLN 28 1HE2 GLN 28 -5.886 -10.318 2.754 204 HE22 GLN 28 2HE2 GLN 28 -7.472 -10.754 2.172 205 HA PRO 29 HA PRO 29 -0.175 -10.192 -3.156 206 HB2 PRO 29 1HB PRO 29 -0.445 -12.902 -3.582 207 HB3 PRO 29 2HB PRO 29 0.520 -12.183 -2.265 208 HG2 PRO 29 1HG PRO 29 -2.307 -13.277 -2.161 209 HG3 PRO 29 2HG PRO 29 -0.975 -13.540 -0.989 210 HD2 PRO 29 1HD PRO 29 -2.923 -11.722 -0.559 211 HD3 PRO 29 2HD PRO 29 -1.241 -11.412 -0.049 212 H ASN 30 H ASN 30 -0.246 -10.501 -5.342 213 HA ASN 30 HA ASN 30 -1.025 -10.495 -7.434 214 HB2 ASN 30 1HB ASN 30 -3.016 -12.557 -6.534 215 HB3 ASN 30 2HB ASN 30 -2.353 -12.327 -8.134 216 HD21 ASN 30 1HD2 ASN 30 -2.037 -14.250 -5.405 217 HD22 ASN 30 2HD2 ASN 30 -0.396 -14.793 -5.676 218 H ILE 31 H ILE 31 -2.466 -8.598 -5.531 219 HA ILE 31 HA ILE 31 -4.762 -8.031 -7.306 220 HB ILE 31 HB ILE 31 -5.626 -8.812 -5.292 221 HG12 ILE 31 1HG1 ILE 31 -6.976 -7.194 -6.343 222 HG13 ILE 31 2HG1 ILE 31 -7.092 -7.027 -4.605 223 HG21 ILE 31 1HG2 ILE 31 -5.252 -7.464 -3.136 224 HG22 ILE 31 2HG2 ILE 31 -4.020 -8.598 -3.708 225 HG23 ILE 31 3HG2 ILE 31 -3.783 -6.872 -3.962 226 HD11 ILE 31 3HD1 ILE 31 -5.316 -5.109 -4.924 227 HD12 ILE 31 1HD1 ILE 31 -5.918 -5.104 -6.592 228 HD13 ILE 31 2HD1 ILE 31 -7.026 -4.806 -5.231 229 H GLY 32 H GLY 32 -3.620 -7.047 -8.521 230 HA2 GLY 32 1HA GLY 32 -3.509 -4.979 -9.651 231 HA3 GLY 32 2HA GLY 32 -3.578 -4.171 -8.099 232 H LEU 33 H LEU 33 -1.862 -3.998 -10.660 233 HA LEU 33 HA LEU 33 0.865 -4.335 -9.912 234 HB2 LEU 33 1HB LEU 33 0.108 -3.786 -12.246 235 HB3 LEU 33 2HB LEU 33 -0.387 -2.188 -11.680 236 HG LEU 33 HG LEU 33 2.092 -1.934 -10.885 237 HD11 LEU 33 1HD1 LEU 33 3.769 -3.201 -11.957 238 HD12 LEU 33 2HD1 LEU 33 2.607 -3.992 -13.050 239 HD13 LEU 33 3HD1 LEU 33 2.605 -4.396 -11.337 240 HD21 LEU 33 3HD2 LEU 33 1.643 -1.985 -13.871 241 HD22 LEU 33 1HD2 LEU 33 2.827 -1.034 -12.932 242 HD23 LEU 33 2HD2 LEU 33 1.092 -0.698 -12.786 243 H LEU 34 H LEU 34 2.130 -3.176 -8.530 244 HA LEU 34 HA LEU 34 1.093 -0.686 -7.249 245 HB2 LEU 34 1HB LEU 34 3.558 -2.456 -6.705 246 HB3 LEU 34 2HB LEU 34 3.209 -0.931 -5.914 247 HG LEU 34 HG LEU 34 1.006 -2.986 -5.845 248 HD11 LEU 34 1HD1 LEU 34 3.633 -3.376 -4.407 249 HD12 LEU 34 2HD1 LEU 34 2.753 -4.478 -5.460 250 HD13 LEU 34 3HD1 LEU 34 2.099 -4.104 -3.860 251 HD21 LEU 34 3HD2 LEU 34 0.739 -2.094 -3.558 252 HD22 LEU 34 1HD2 LEU 34 0.699 -0.804 -4.798 253 HD23 LEU 34 2HD2 LEU 34 2.149 -1.053 -3.812 254 H TYR 35 H TYR 35 1.768 1.194 -8.216 255 HA TYR 35 HA TYR 35 4.051 1.119 -10.068 256 HB2 TYR 35 1HB TYR 35 2.731 2.298 -11.733 257 HB3 TYR 35 2HB TYR 35 2.096 0.715 -11.392 258 HD1 TYR 35 1HD TYR 35 1.477 4.331 -11.091 259 HD2 TYR 35 2HD TYR 35 -0.188 0.406 -10.471 260 HE1 TYR 35 1HE TYR 35 -0.772 5.318 -10.984 261 HE2 TYR 35 2HE TYR 35 -2.465 1.377 -10.501 262 HH TYR 35 HH TYR 35 -2.973 4.813 -11.399 263 H ASP 36 H ASP 36 4.253 3.634 -10.841 264 HA ASP 36 HA ASP 36 5.050 4.881 -8.401 265 HB2 ASP 36 1HB ASP 36 6.202 6.434 -9.716 266 HB3 ASP 36 2HB ASP 36 6.336 4.925 -10.603 267 H GLY 37 H GLY 37 4.528 6.968 -7.727 268 HA2 GLY 37 1HA GLY 37 3.187 8.684 -7.112 269 HA3 GLY 37 2HA GLY 37 2.442 8.595 -8.708 270 H MET 38 H MET 38 1.838 5.577 -7.520 271 HA MET 38 HA MET 38 -0.849 5.820 -7.460 272 HB2 MET 38 1HB MET 38 0.870 3.815 -7.436 273 HB3 MET 38 2HB MET 38 0.444 3.691 -5.739 274 HG2 MET 38 1HG MET 38 -1.380 3.541 -8.165 275 HG3 MET 38 2HG MET 38 -0.731 2.193 -7.277 276 HE1 MET 38 3HE MET 38 -2.704 1.635 -4.203 277 HE2 MET 38 1HE MET 38 -1.618 1.011 -5.477 278 HE3 MET 38 2HE MET 38 -1.089 2.346 -4.440 279 H PHE 39 H PHE 39 1.322 6.172 -4.712 280 HA PHE 39 HA PHE 39 -0.902 6.655 -2.789 281 HB2 PHE 39 1HB PHE 39 2.081 6.252 -2.302 282 HB3 PHE 39 2HB PHE 39 0.860 6.463 -1.051 283 HD1 PHE 39 1HD PHE 39 -1.221 4.831 -1.217 284 HD2 PHE 39 2HD PHE 39 2.716 3.997 -2.757 285 HE1 PHE 39 1HE PHE 39 -1.813 2.424 -1.443 286 HE2 PHE 39 2HE PHE 39 2.081 1.624 -3.085 287 HZ PHE 39 HZ PHE 39 -0.217 0.848 -2.454 288 H SER 40 H SER 40 0.935 8.583 -4.854 289 HA SER 40 HA SER 40 2.358 10.262 -3.198 290 HB2 SER 40 1HB SER 40 2.332 10.014 -5.754 291 HB3 SER 40 2HB SER 40 1.054 11.243 -5.756 292 HG SER 40 HG SER 40 3.619 11.606 -5.714 293 H GLY 41 H GLY 41 1.856 11.757 -1.730 294 HA2 GLY 41 1HA GLY 41 0.791 13.728 -1.014 295 HA3 GLY 41 2HA GLY 41 -0.674 13.303 -1.908 296 H CYS 42 H CYS 42 0.599 10.574 -0.261 297 HA CYS 42 HA CYS 42 -1.550 10.364 1.623 298 HB2 CYS 42 1HB CYS 42 -0.179 8.420 2.348 299 HB3 CYS 42 2HB CYS 42 -0.636 8.410 0.654 300 HG CYS 42 HG CYS 42 2.220 9.538 1.922 301 H THR 43 H THR 43 -1.070 12.621 2.706 302 HA THR 43 HA THR 43 1.253 13.249 3.948 303 HB THR 43 HB THR 43 -0.140 14.816 5.334 304 HG1 THR 43 1HG THR 43 -2.268 14.631 5.335 305 HG21 THR 43 3HG2 THR 43 0.402 15.315 2.908 306 HG22 THR 43 1HG2 THR 43 -1.058 16.108 3.541 307 HG23 THR 43 2HG2 THR 43 -1.205 14.691 2.492 308 H ALA 44 H ALA 44 -0.517 10.640 5.084 309 HA ALA 44 HA ALA 44 0.755 10.833 7.764 310 HB1 ALA 44 1HB ALA 44 -2.020 9.736 7.175 311 HB2 ALA 44 2HB ALA 44 -1.244 9.883 8.763 312 HB3 ALA 44 3HB ALA 44 -1.693 11.345 7.858 313 H LEU 45 H LEU 45 0.947 9.061 4.903 314 HA LEU 45 HA LEU 45 0.490 6.398 5.965 315 HB2 LEU 45 1HB LEU 45 0.051 6.919 3.703 316 HB3 LEU 45 2HB LEU 45 1.717 7.494 3.438 317 HG LEU 45 HG LEU 45 2.542 5.167 3.666 318 HD11 LEU 45 1HD1 LEU 45 0.848 3.305 3.659 319 HD12 LEU 45 2HD1 LEU 45 -0.420 4.513 3.991 320 HD13 LEU 45 3HD1 LEU 45 0.860 4.206 5.172 321 HD21 LEU 45 3HD2 LEU 45 1.461 4.357 1.536 322 HD22 LEU 45 1HD2 LEU 45 1.985 6.045 1.470 323 HD23 LEU 45 2HD2 LEU 45 0.271 5.688 1.689 324 H GLU 46 H GLU 46 1.855 5.246 7.241 325 HA GLU 46 HA GLU 46 4.738 5.336 6.741 326 HB2 GLU 46 1HB GLU 46 5.028 5.397 9.290 327 HB3 GLU 46 2HB GLU 46 4.947 6.866 8.276 328 HG2 GLU 46 1HG GLU 46 2.509 7.013 8.891 329 HG3 GLU 46 2HG GLU 46 2.787 5.590 9.884 330 H LYS 47 H LYS 47 2.197 3.274 6.801 331 HA LYS 47 HA LYS 47 3.994 1.106 7.650 332 HB2 LYS 47 1HB LYS 47 1.798 2.122 9.258 333 HB3 LYS 47 2HB LYS 47 1.392 0.501 8.736 334 HG2 LYS 47 1HG LYS 47 4.184 0.996 9.827 335 HG3 LYS 47 2HG LYS 47 2.849 1.064 10.952 336 HD2 LYS 47 1HD LYS 47 2.095 -1.212 10.352 337 HD3 LYS 47 2HD LYS 47 3.249 -1.278 9.030 338 HE2 LYS 47 1HE LYS 47 4.187 -2.629 10.702 339 HE3 LYS 47 2HE LYS 47 5.116 -1.134 10.695 340 HZ1 LYS 47 3HZ LYS 47 3.758 -0.446 12.654 341 HZ2 LYS 47 1HZ LYS 47 4.712 -1.731 12.900 342 HZ3 LYS 47 2HZ LYS 47 3.099 -1.964 12.703 343 H LEU 48 H LEU 48 3.986 -0.449 6.234 344 HA LEU 48 HA LEU 48 1.562 -0.949 4.583 345 HB2 LEU 48 1HB LEU 48 3.521 -0.027 3.265 346 HB3 LEU 48 2HB LEU 48 4.514 -1.299 3.926 347 HG LEU 48 HG LEU 48 2.441 -2.816 2.855 348 HD11 LEU 48 1HD1 LEU 48 2.900 -0.528 0.957 349 HD12 LEU 48 2HD1 LEU 48 1.419 -0.763 1.933 350 HD13 LEU 48 3HD1 LEU 48 1.889 -1.997 0.749 351 HD21 LEU 48 3HD2 LEU 48 4.687 -3.376 2.572 352 HD22 LEU 48 1HD2 LEU 48 5.048 -1.924 1.604 353 HD23 LEU 48 2HD2 LEU 48 4.005 -3.198 0.952 354 H ILE 49 H ILE 49 0.924 -3.111 4.606 355 HA ILE 49 HA ILE 49 2.791 -5.102 5.737 356 HB ILE 49 HB ILE 49 -0.183 -5.098 6.385 357 HG12 ILE 49 1HG1 ILE 49 0.946 -4.775 8.828 358 HG13 ILE 49 2HG1 ILE 49 2.058 -3.796 7.904 359 HG21 ILE 49 1HG2 ILE 49 2.144 -6.757 7.455 360 HG22 ILE 49 2HG2 ILE 49 0.469 -6.844 8.032 361 HG23 ILE 49 3HG2 ILE 49 0.839 -7.325 6.382 362 HD11 ILE 49 3HD1 ILE 49 0.153 -2.419 7.065 363 HD12 ILE 49 1HD1 ILE 49 -0.966 -3.469 7.963 364 HD13 ILE 49 2HD1 ILE 49 0.208 -2.466 8.839 365 H LEU 50 H LEU 50 2.610 -7.100 4.693 366 HA LEU 50 HA LEU 50 0.883 -7.214 2.250 367 HB2 LEU 50 1HB LEU 50 3.688 -8.363 2.647 368 HB3 LEU 50 2HB LEU 50 2.698 -8.560 1.222 369 HG LEU 50 HG LEU 50 4.102 -6.040 2.169 370 HD11 LEU 50 1HD1 LEU 50 4.232 -7.535 -0.488 371 HD12 LEU 50 2HD1 LEU 50 5.401 -7.739 0.819 372 HD13 LEU 50 3HD1 LEU 50 5.248 -6.167 0.031 373 HD21 LEU 50 3HD2 LEU 50 3.168 -5.011 0.024 374 HD22 LEU 50 1HD2 LEU 50 2.027 -5.184 1.360 375 HD23 LEU 50 2HD2 LEU 50 1.997 -6.337 0.004 376 H THR 51 H THR 51 -0.414 -9.062 2.244 377 HA THR 51 HA THR 51 0.171 -11.151 4.268 378 HB THR 51 HB THR 51 -2.165 -11.600 4.304 379 HG1 THR 51 1HG THR 51 -3.039 -11.357 2.432 380 HG21 THR 51 3HG2 THR 51 -1.262 -9.524 5.514 381 HG22 THR 51 1HG2 THR 51 -3.000 -9.560 5.213 382 HG23 THR 51 2HG2 THR 51 -1.951 -8.571 4.171 383 H GLY 52 H GLY 52 1.710 -11.272 1.957 384 HA2 GLY 52 1HA GLY 52 0.749 -13.771 0.641 385 HA3 GLY 52 2HA GLY 52 1.428 -12.467 -0.336 386 H GLU 53 H GLU 53 2.510 -15.030 -0.221 387 HA GLU 53 HA GLU 53 4.551 -14.999 1.879 388 HB2 GLU 53 1HB GLU 53 3.090 -17.210 0.396 389 HB3 GLU 53 2HB GLU 53 4.390 -17.485 1.560 390 HG2 GLU 53 1HG GLU 53 3.019 -16.093 3.226 391 HG3 GLU 53 2HG GLU 53 1.687 -16.194 2.089 392 H ASP 54 H ASP 54 4.712 -14.150 -1.288 393 HA ASP 54 HA ASP 54 7.547 -14.928 -1.425 394 HB2 ASP 54 1HB ASP 54 6.199 -16.850 -2.507 395 HB3 ASP 54 2HB ASP 54 5.635 -15.680 -3.693 396 HA PRO 55 HA PRO 55 7.573 -10.869 -3.207 397 HB2 PRO 55 1HB PRO 55 9.877 -11.016 -4.796 398 HB3 PRO 55 2HB PRO 55 9.840 -10.727 -3.031 399 HG2 PRO 55 1HG PRO 55 10.280 -13.319 -4.522 400 HG3 PRO 55 2HG PRO 55 11.121 -12.727 -3.063 401 HD2 PRO 55 1HD PRO 55 9.248 -14.545 -2.818 402 HD3 PRO 55 2HD PRO 55 9.327 -13.195 -1.677 403 H SER 56 H SER 56 7.670 -13.626 -5.387 404 HA SER 56 HA SER 56 6.917 -12.043 -7.769 405 HB2 SER 56 1HB SER 56 6.897 -15.020 -7.170 406 HB3 SER 56 2HB SER 56 6.254 -14.341 -8.669 407 HG SER 56 HG SER 56 8.915 -13.864 -7.747 408 H ALA 57 H ALA 57 5.149 -12.991 -4.949 409 HA ALA 57 HA ALA 57 2.576 -13.249 -6.308 410 HB1 ALA 57 1HB ALA 57 3.075 -12.804 -3.348 411 HB2 ALA 57 2HB ALA 57 1.671 -13.541 -4.141 412 HB3 ALA 57 3HB ALA 57 3.215 -14.406 -4.124 413 H TYR 58 H TYR 58 4.486 -10.653 -6.232 414 HA TYR 58 HA TYR 58 2.338 -8.665 -5.994 415 HB2 TYR 58 1HB TYR 58 4.974 -8.732 -4.471 416 HB3 TYR 58 2HB TYR 58 4.155 -7.221 -4.788 417 HD1 TYR 58 1HD TYR 58 1.860 -6.765 -3.828 418 HD2 TYR 58 2HD TYR 58 4.093 -10.333 -2.847 419 HE1 TYR 58 1HE TYR 58 0.393 -7.147 -1.885 420 HE2 TYR 58 2HE TYR 58 2.584 -10.751 -0.960 421 HH TYR 58 HH TYR 58 0.746 -10.045 0.202 422 H SER 59 H SER 59 3.509 -6.455 -6.718 423 HA SER 59 HA SER 59 5.536 -6.805 -8.809 424 HB2 SER 59 1HB SER 59 3.043 -5.120 -9.223 425 HB3 SER 59 2HB SER 59 4.284 -5.573 -10.409 426 HG SER 59 HG SER 59 3.502 -7.787 -10.018 427 H ALA 60 H ALA 60 6.135 -4.321 -9.492 428 HA ALA 60 HA ALA 60 5.409 -2.333 -7.479 429 HB1 ALA 60 1HB ALA 60 7.908 -2.051 -6.831 430 HB2 ALA 60 2HB ALA 60 7.033 -3.471 -6.206 431 HB3 ALA 60 3HB ALA 60 8.152 -3.626 -7.599 432 H GLY 61 H GLY 61 6.128 -2.891 -10.515 433 HA2 GLY 61 1HA GLY 61 6.718 -1.625 -12.367 434 HA3 GLY 61 2HA GLY 61 6.209 -0.218 -11.415 435 H ASP 62 H ASP 62 7.717 1.108 -10.783 436 HA ASP 62 HA ASP 62 10.238 0.225 -9.711 437 HB2 ASP 62 1HB ASP 62 10.661 0.613 -12.182 438 HB3 ASP 62 2HB ASP 62 10.513 2.345 -11.877 439 H GLY 63 H GLY 63 7.921 1.196 -8.806 440 HA2 GLY 63 1HA GLY 63 8.559 3.763 -7.443 441 HA3 GLY 63 2HA GLY 63 7.302 3.823 -8.670 442 H LEU 64 H LEU 64 7.697 0.990 -6.565 443 HA LEU 64 HA LEU 64 5.059 0.728 -5.891 444 HB2 LEU 64 1HB LEU 64 6.769 -0.919 -5.428 445 HB3 LEU 64 2HB LEU 64 7.452 0.020 -4.107 446 HG LEU 64 HG LEU 64 4.582 -1.073 -4.213 447 HD11 LEU 64 1HD1 LEU 64 6.177 -2.933 -4.290 448 HD12 LEU 64 2HD1 LEU 64 5.238 -2.920 -2.809 449 HD13 LEU 64 3HD1 LEU 64 6.906 -2.356 -2.772 450 HD21 LEU 64 3HD2 LEU 64 4.275 0.255 -2.416 451 HD22 LEU 64 1HD2 LEU 64 6.018 0.434 -2.117 452 HD23 LEU 64 2HD2 LEU 64 5.162 -0.979 -1.522 453 H ARG 65 H ARG 65 7.375 2.769 -4.115 454 HA ARG 65 HA ARG 65 5.143 3.857 -2.474 455 HB2 ARG 65 1HB ARG 65 6.727 4.138 -0.705 456 HB3 ARG 65 2HB ARG 65 6.743 2.463 -1.215 457 HG2 ARG 65 1HG ARG 65 8.945 2.519 -1.646 458 HG3 ARG 65 2HG ARG 65 8.766 3.902 -2.735 459 HD2 ARG 65 1HD ARG 65 8.613 5.360 -0.632 460 HD3 ARG 65 2HD ARG 65 9.135 3.929 0.274 461 HE ARG 65 HE ARG 65 11.245 4.135 -0.540 462 HH11 ARG 65 1HH1 ARG 65 9.232 6.744 -1.860 463 HH12 ARG 65 2HH1 ARG 65 10.388 7.247 -3.059 464 HH21 ARG 65 1HH2 ARG 65 12.863 4.880 -2.074 465 HH22 ARG 65 2HH2 ARG 65 12.588 6.395 -2.893 466 H ASP 66 H ASP 66 6.037 4.852 -5.181 467 HA ASP 66 HA ASP 66 7.725 7.127 -4.854 468 HB2 ASP 66 1HB ASP 66 6.069 5.996 -6.967 469 HB3 ASP 66 2HB ASP 66 5.851 7.733 -6.894 470 H GLY 67 H GLY 67 7.314 9.297 -4.447 471 HA2 GLY 67 1HA GLY 67 6.131 11.164 -3.719 472 HA3 GLY 67 2HA GLY 67 4.641 10.232 -3.735 473 H ALA 68 H ALA 68 5.862 8.013 -2.146 474 HA ALA 68 HA ALA 68 5.570 9.212 0.564 475 HB1 ALA 68 1HB ALA 68 3.816 7.598 -0.420 476 HB2 ALA 68 2HB ALA 68 5.080 6.350 -0.399 477 HB3 ALA 68 3HB ALA 68 4.534 7.088 1.116 478 H ASP 69 H ASP 69 6.515 7.569 2.239 479 HA ASP 69 HA ASP 69 8.658 5.903 1.404 480 HB2 ASP 69 1HB ASP 69 9.908 8.048 1.377 481 HB3 ASP 69 2HB ASP 69 9.419 8.321 3.046 482 H PHE 70 H PHE 70 7.942 4.207 2.533 483 HA PHE 70 HA PHE 70 7.421 4.438 5.425 484 HB2 PHE 70 1HB PHE 70 5.348 3.066 5.110 485 HB3 PHE 70 2HB PHE 70 5.237 4.693 4.459 486 HD1 PHE 70 2HD PHE 70 5.952 1.131 3.430 487 HD2 PHE 70 1HD PHE 70 4.529 5.011 2.183 488 HE1 PHE 70 2HE PHE 70 5.480 0.234 1.226 489 HE2 PHE 70 1HE PHE 70 3.918 4.045 -0.059 490 HZ PHE 70 HZ PHE 70 4.411 1.669 -0.535 491 H LEU 71 H LEU 71 7.201 2.221 6.352 492 HA LEU 71 HA LEU 71 9.305 0.434 5.294 493 HB2 LEU 71 1HB LEU 71 7.800 0.516 7.946 494 HB3 LEU 71 2HB LEU 71 8.906 -0.778 7.504 495 HG LEU 71 HG LEU 71 9.741 2.141 7.708 496 HD11 LEU 71 1HD1 LEU 71 9.058 1.259 9.908 497 HD12 LEU 71 2HD1 LEU 71 10.803 1.503 9.841 498 HD13 LEU 71 3HD1 LEU 71 10.124 -0.135 9.694 499 HD21 LEU 71 3HD2 LEU 71 11.221 0.905 6.259 500 HD22 LEU 71 1HD2 LEU 71 11.383 -0.406 7.451 501 HD23 LEU 71 2HD2 LEU 71 12.040 1.224 7.781 502 H ILE 72 H ILE 72 8.975 -1.643 4.822 503 HA ILE 72 HA ILE 72 6.276 -2.515 4.003 504 HB ILE 72 HB ILE 72 9.014 -3.622 3.426 505 HG12 ILE 72 1HG1 ILE 72 7.342 -2.343 1.247 506 HG13 ILE 72 2HG1 ILE 72 8.145 -1.250 2.344 507 HG21 ILE 72 1HG2 ILE 72 8.067 -5.057 1.793 508 HG22 ILE 72 2HG2 ILE 72 7.089 -5.289 3.234 509 HG23 ILE 72 3HG2 ILE 72 6.476 -4.318 1.885 510 HD11 ILE 72 3HD1 ILE 72 9.514 -3.483 0.810 511 HD12 ILE 72 1HD1 ILE 72 9.592 -1.749 0.437 512 HD13 ILE 72 2HD1 ILE 72 10.304 -2.362 1.946 513 H CYS 73 H CYS 73 5.315 -4.228 5.146 514 HA CYS 73 HA CYS 73 7.016 -5.728 7.039 515 HB2 CYS 73 1HB CYS 73 4.066 -5.151 7.349 516 HB3 CYS 73 2HB CYS 73 5.111 -6.007 8.489 517 HG CYS 73 HG CYS 73 5.141 -2.909 7.420 518 H VAL 74 H VAL 74 6.920 -7.973 6.743 519 HA VAL 74 HA VAL 74 4.838 -9.095 4.940 520 HB VAL 74 HB VAL 74 6.529 -10.592 3.930 521 HG11 VAL 74 1HG1 VAL 74 5.890 -8.641 2.712 522 HG12 VAL 74 2HG1 VAL 74 7.140 -7.657 3.478 523 HG13 VAL 74 3HG1 VAL 74 7.592 -9.001 2.409 524 HG21 VAL 74 3HG2 VAL 74 8.239 -10.675 5.609 525 HG22 VAL 74 1HG2 VAL 74 8.926 -10.133 4.075 526 HG23 VAL 74 2HG2 VAL 74 8.627 -8.967 5.388 527 HA PRO 75 HA PRO 75 4.515 -11.902 8.254 528 HB2 PRO 75 1HB PRO 75 4.199 -14.421 7.133 529 HB3 PRO 75 2HB PRO 75 2.913 -13.192 7.228 530 HG2 PRO 75 1HG PRO 75 4.724 -13.832 4.896 531 HG3 PRO 75 2HG PRO 75 2.965 -13.508 4.872 532 HD2 PRO 75 1HD PRO 75 4.769 -11.622 4.203 533 HD3 PRO 75 2HD PRO 75 3.300 -11.205 5.111 534 H GLU 76 H GLU 76 5.842 -13.084 9.594 535 HA GLU 76 HA GLU 76 8.515 -13.126 9.307 536 HB2 GLU 76 1HB GLU 76 8.686 -14.780 11.099 537 HB3 GLU 76 2HB GLU 76 7.523 -13.520 11.454 538 HG2 GLU 76 1HG GLU 76 5.666 -14.955 10.997 539 HG3 GLU 76 2HG GLU 76 6.673 -16.240 10.354 540 H GLU 77 H GLU 77 6.411 -15.773 8.199 541 HA GLU 77 HA GLU 77 8.535 -17.585 7.874 542 HB2 GLU 77 1HB GLU 77 5.902 -17.821 8.174 543 HB3 GLU 77 2HB GLU 77 5.920 -17.896 6.419 544 HG2 GLU 77 1HG GLU 77 7.965 -19.628 7.676 545 HG3 GLU 77 2HG GLU 77 6.347 -19.955 8.260 546 H ALA 78 H ALA 78 7.040 -15.225 5.737 547 HA ALA 78 HA ALA 78 8.471 -16.121 3.296 548 HB1 ALA 78 1HB ALA 78 6.751 -13.665 3.779 549 HB2 ALA 78 2HB ALA 78 7.235 -14.387 2.223 550 HB3 ALA 78 3HB ALA 78 6.123 -15.263 3.289 551 H LEU 79 H LEU 79 9.183 -14.257 6.047 552 HA LEU 79 HA LEU 79 10.210 -11.910 5.132 553 HB2 LEU 79 1HB LEU 79 9.900 -12.678 7.496 554 HB3 LEU 79 2HB LEU 79 11.420 -13.560 7.372 555 HG LEU 79 HG LEU 79 12.594 -11.359 6.942 556 HD11 LEU 79 1HD1 LEU 79 10.781 -9.950 6.125 557 HD12 LEU 79 2HD1 LEU 79 11.371 -9.273 7.638 558 HD13 LEU 79 3HD1 LEU 79 9.853 -10.201 7.611 559 HD21 LEU 79 3HD2 LEU 79 10.952 -11.641 9.497 560 HD22 LEU 79 1HD2 LEU 79 12.372 -10.597 9.314 561 HD23 LEU 79 2HD2 LEU 79 12.544 -12.355 9.180 562 H ASP 80 H ASP 80 11.911 -15.014 5.110 563 HA ASP 80 HA ASP 80 14.453 -13.879 4.173 564 HB2 ASP 80 1HB ASP 80 14.166 -16.049 5.440 565 HB3 ASP 80 2HB ASP 80 13.505 -16.744 3.951 566 H ARG 81 H ARG 81 11.716 -15.565 2.617 567 HA ARG 81 HA ARG 81 12.597 -15.796 0.014 568 HB2 ARG 81 1HB ARG 81 10.000 -15.756 1.384 569 HB3 ARG 81 2HB ARG 81 9.859 -15.031 -0.206 570 HG2 ARG 81 1HG ARG 81 10.794 -17.064 -1.250 571 HG3 ARG 81 2HG ARG 81 10.990 -17.789 0.359 572 HD2 ARG 81 1HD ARG 81 8.498 -17.288 0.714 573 HD3 ARG 81 2HD ARG 81 8.401 -16.969 -1.016 574 HE ARG 81 HE ARG 81 8.939 -19.233 -1.495 575 HH11 ARG 81 1HH1 ARG 81 7.827 -18.581 1.820 576 HH12 ARG 81 2HH1 ARG 81 7.853 -20.214 2.339 577 HH21 ARG 81 1HH2 ARG 81 8.848 -21.491 -0.860 578 HH22 ARG 81 2HH2 ARG 81 8.306 -21.916 0.724 579 H TYR 82 H TYR 82 10.827 -12.906 1.292 580 HA TYR 82 HA TYR 82 11.094 -11.475 -1.199 581 HB2 TYR 82 1HB TYR 82 10.596 -10.565 1.643 582 HB3 TYR 82 2HB TYR 82 10.655 -9.463 0.287 583 HD1 TYR 82 2HD TYR 82 8.722 -12.068 2.008 584 HD2 TYR 82 1HD TYR 82 8.778 -9.313 -1.306 585 HE1 TYR 82 2HE TYR 82 6.281 -12.286 1.807 586 HE2 TYR 82 1HE TYR 82 6.301 -9.497 -1.476 587 HH TYR 82 HH TYR 82 4.431 -11.583 0.780 588 H ARG 83 H ARG 83 13.161 -11.621 1.803 589 HA ARG 83 HA ARG 83 14.758 -9.394 1.195 590 HB2 ARG 83 1HB ARG 83 14.853 -11.670 3.090 591 HB3 ARG 83 2HB ARG 83 16.423 -11.162 2.536 592 HG2 ARG 83 1HG ARG 83 15.483 -8.693 3.072 593 HG3 ARG 83 2HG ARG 83 14.346 -9.590 4.084 594 HD2 ARG 83 1HD ARG 83 16.303 -8.863 5.383 595 HD3 ARG 83 2HD ARG 83 16.238 -10.622 5.274 596 HE ARG 83 HE ARG 83 18.027 -10.659 3.749 597 HH11 ARG 83 1HH1 ARG 83 17.576 -7.294 4.845 598 HH12 ARG 83 2HH1 ARG 83 18.582 -6.614 3.632 599 HH21 ARG 83 1HH2 ARG 83 19.450 -9.862 2.315 600 HH22 ARG 83 2HH2 ARG 83 19.758 -8.159 2.102 601 H ARG 84 H ARG 84 15.263 -12.844 0.414 602 HA ARG 84 HA ARG 84 17.834 -12.463 -0.756 603 HB2 ARG 84 1HB ARG 84 17.671 -14.763 -1.421 604 HB3 ARG 84 2HB ARG 84 17.004 -14.578 0.197 605 HG2 ARG 84 1HG ARG 84 14.734 -14.665 -0.655 606 HG3 ARG 84 2HG ARG 84 15.305 -14.650 -2.331 607 HD2 ARG 84 1HD ARG 84 16.602 -16.795 -1.643 608 HD3 ARG 84 2HD ARG 84 15.456 -16.836 -0.279 609 HE ARG 84 HE ARG 84 14.248 -16.426 -2.917 610 HH11 ARG 84 1HH1 ARG 84 15.241 -18.950 -0.642 611 HH12 ARG 84 2HH1 ARG 84 14.190 -20.163 -1.281 612 HH21 ARG 84 1HH2 ARG 84 12.935 -17.986 -3.840 613 HH22 ARG 84 2HH2 ARG 84 12.762 -19.557 -3.088 614 H ASP 85 H ASP 85 14.871 -11.512 -2.143 615 HA ASP 85 HA ASP 85 15.227 -12.566 -4.789 616 HB2 ASP 85 1HB ASP 85 13.063 -11.599 -3.642 617 HB3 ASP 85 2HB ASP 85 13.662 -10.047 -4.173 618 H TYR 86 H TYR 86 16.197 -11.702 -6.636 619 HA TYR 86 HA TYR 86 18.188 -9.746 -6.291 620 HB2 TYR 86 1HB TYR 86 18.031 -11.556 -8.035 621 HB3 TYR 86 2HB TYR 86 16.822 -10.596 -8.869 622 HD1 TYR 86 1HD TYR 86 17.454 -8.242 -9.701 623 HD2 TYR 86 2HD TYR 86 20.359 -11.195 -8.486 624 HE1 TYR 86 1HE TYR 86 19.223 -6.938 -10.791 625 HE2 TYR 86 2HE TYR 86 22.153 -9.867 -9.559 626 HH TYR 86 HH TYR 86 22.357 -8.028 -11.367 627 H PHE 87 H PHE 87 14.768 -9.398 -7.378 628 HA PHE 87 HA PHE 87 15.056 -6.626 -8.202 629 HB2 PHE 87 1HB PHE 87 13.362 -8.228 -9.133 630 HB3 PHE 87 2HB PHE 87 12.542 -8.240 -7.589 631 HD1 PHE 87 2HD PHE 87 11.831 -5.753 -6.652 632 HD2 PHE 87 1HD PHE 87 12.471 -6.861 -10.788 633 HE1 PHE 87 2HE PHE 87 10.560 -3.772 -7.379 634 HE2 PHE 87 1HE PHE 87 11.011 -5.002 -11.485 635 HZ PHE 87 HZ PHE 87 10.091 -3.419 -9.799 636 H TRP 88 H TRP 88 13.196 -8.207 -5.534 637 HA TRP 88 HA TRP 88 12.566 -5.743 -4.289 638 HB2 TRP 88 1HB TRP 88 12.471 -8.566 -3.243 639 HB3 TRP 88 2HB TRP 88 12.157 -7.204 -2.208 640 HD1 TRP 88 HD TRP 88 10.638 -8.937 -5.278 641 HE1 TRP 88 1HE TRP 88 8.113 -8.465 -5.315 642 HE3 TRP 88 3HE TRP 88 10.482 -5.400 -1.627 643 HZ2 TRP 88 2HZ TRP 88 6.280 -6.656 -3.980 644 HZ3 TRP 88 3HZ TRP 88 8.308 -4.320 -0.987 645 HH2 TRP 88 HH TRP 88 6.208 -4.965 -2.161 646 H GLN 89 H GLN 89 15.524 -7.692 -3.851 647 HA GLN 89 HA GLN 89 16.655 -6.673 -1.675 648 HB2 GLN 89 1HB GLN 89 17.697 -7.424 -4.363 649 HB3 GLN 89 2HB GLN 89 18.692 -6.238 -3.563 650 HG2 GLN 89 1HG GLN 89 18.406 -7.771 -1.451 651 HG3 GLN 89 2HG GLN 89 17.975 -9.031 -2.594 652 HE21 GLN 89 1HE2 GLN 89 19.794 -8.517 -4.735 653 HE22 GLN 89 2HE2 GLN 89 21.381 -8.896 -4.104 654 H THR 90 H THR 90 16.097 -4.665 -4.516 655 HA THR 90 HA THR 90 17.785 -2.502 -3.798 656 HB THR 90 HB THR 90 16.652 -2.927 -5.986 657 HG1 THR 90 1HG THR 90 16.054 -0.516 -6.109 658 HG21 THR 90 3HG2 THR 90 14.459 -2.251 -6.461 659 HG22 THR 90 1HG2 THR 90 14.248 -1.485 -4.875 660 HG23 THR 90 2HG2 THR 90 14.334 -3.261 -5.014 661 H TYR 91 H TYR 91 14.475 -3.318 -2.731 662 HA TYR 91 HA TYR 91 14.259 -0.913 -1.084 663 HB2 TYR 91 1HB TYR 91 12.349 -3.160 -1.781 664 HB3 TYR 91 2HB TYR 91 11.971 -1.920 -0.611 665 HD1 TYR 91 1HD TYR 91 11.900 0.526 -1.262 666 HD2 TYR 91 2HD TYR 91 11.959 -2.704 -4.136 667 HE1 TYR 91 1HE TYR 91 10.914 2.015 -2.965 668 HE2 TYR 91 2HE TYR 91 10.919 -1.219 -5.821 669 HH TYR 91 HH TYR 91 10.939 2.185 -5.477 670 H ALA 92 H ALA 92 16.147 -3.498 -0.451 671 HA ALA 92 HA ALA 92 14.753 -4.865 1.598 672 HB1 ALA 92 1HB ALA 92 17.733 -4.786 1.013 673 HB2 ALA 92 2HB ALA 92 16.903 -5.933 2.092 674 HB3 ALA 92 3HB ALA 92 16.541 -5.948 0.369 675 H ALA 93 H ALA 93 16.495 -1.868 1.674 676 HA ALA 93 HA ALA 93 17.223 -1.912 4.380 677 HB1 ALA 93 1HB ALA 93 17.424 0.546 4.164 678 HB2 ALA 93 2HB ALA 93 18.155 -0.295 2.785 679 HB3 ALA 93 3HB ALA 93 16.561 0.482 2.620 680 H TRP 94 H TRP 94 14.033 -1.679 2.967 681 HA TRP 94 HA TRP 94 12.974 -0.294 5.390 682 HB2 TRP 94 1HB TRP 94 11.919 -0.380 2.551 683 HB3 TRP 94 2HB TRP 94 11.144 0.439 3.902 684 HD1 TRP 94 HD TRP 94 12.538 2.528 5.033 685 HE1 TRP 94 1HE TRP 94 14.388 4.028 4.173 686 HE3 TRP 94 3HE TRP 94 13.637 0.031 0.744 687 HZ2 TRP 94 2HZ TRP 94 16.044 4.247 1.780 688 HZ3 TRP 94 3HZ TRP 94 15.456 0.868 -0.805 689 HH2 TRP 94 HH TRP 94 16.629 2.974 -0.274 690 H ILE 95 H ILE 95 13.385 -3.305 4.416 691 HA ILE 95 HA ILE 95 10.674 -4.377 4.686 692 HB ILE 95 HB ILE 95 13.460 -5.372 4.019 693 HG12 ILE 95 1HG1 ILE 95 10.783 -5.297 2.536 694 HG13 ILE 95 2HG1 ILE 95 12.155 -4.223 2.291 695 HG21 ILE 95 1HG2 ILE 95 11.139 -7.279 4.183 696 HG22 ILE 95 2HG2 ILE 95 12.831 -7.603 3.785 697 HG23 ILE 95 3HG2 ILE 95 12.399 -7.163 5.432 698 HD11 ILE 95 3HD1 ILE 95 11.839 -7.083 1.446 699 HD12 ILE 95 1HD1 ILE 95 12.390 -5.656 0.524 700 HD13 ILE 95 2HD1 ILE 95 13.462 -6.429 1.711 701 H GLN 96 H GLN 96 9.816 -5.160 6.522 702 HA GLN 96 HA GLN 96 11.517 -6.318 8.617 703 HB2 GLN 96 1HB GLN 96 9.931 -5.156 10.317 704 HB3 GLN 96 2HB GLN 96 11.345 -4.322 9.662 705 HG2 GLN 96 1HG GLN 96 9.936 -2.940 8.260 706 HG3 GLN 96 2HG GLN 96 8.509 -3.897 8.700 707 HE21 GLN 96 1HE2 GLN 96 10.886 -3.161 11.264 708 HE22 GLN 96 2HE2 GLN 96 9.806 -2.064 12.103 709 HA PRO 97 HA PRO 97 8.199 -9.325 8.901 710 HB2 PRO 97 1HB PRO 97 7.922 -9.805 11.596 711 HB3 PRO 97 2HB PRO 97 9.291 -10.395 10.621 712 HG2 PRO 97 1HG PRO 97 9.153 -7.870 12.308 713 HG3 PRO 97 2HG PRO 97 10.417 -9.144 12.340 714 HD2 PRO 97 1HD PRO 97 10.803 -6.912 10.928 715 HD3 PRO 97 2HD PRO 97 11.266 -8.476 10.222 716 H MET 98 H MET 98 6.029 -9.694 10.099 717 HA MET 98 HA MET 98 4.538 -7.138 10.381 718 HB2 MET 98 1HB MET 98 2.681 -8.183 9.502 719 HB3 MET 98 2HB MET 98 3.955 -8.963 8.581 720 HG2 MET 98 1HG MET 98 3.707 -10.983 9.789 721 HG3 MET 98 2HG MET 98 2.798 -10.235 11.063 722 HE1 MET 98 3HE MET 98 2.532 -10.914 7.138 723 HE2 MET 98 1HE MET 98 0.788 -10.703 6.900 724 HE3 MET 98 2HE MET 98 1.808 -9.306 7.307 725 H GLU 99 H GLU 99 2.549 -7.466 12.019 726 HA GLU 99 HA GLU 99 3.648 -8.725 14.462 727 HB2 GLU 99 1HB GLU 99 2.250 -7.173 15.709 728 HB3 GLU 99 2HB GLU 99 3.478 -6.398 14.731 729 HG2 GLU 99 1HG GLU 99 1.722 -5.865 13.011 730 HG3 GLU 99 2HG GLU 99 0.513 -6.543 14.113 731 H GLN 100 H GLN 100 1.476 -9.002 15.952 732 HA GLN 100 HA GLN 100 -0.640 -10.416 14.496 733 HB2 GLN 100 1HB GLN 100 0.519 -11.224 17.207 734 HB3 GLN 100 2HB GLN 100 -1.011 -11.791 16.565 735 HG2 GLN 100 1HG GLN 100 0.063 -13.140 14.910 736 HG3 GLN 100 2HG GLN 100 1.610 -12.311 15.138 737 HE21 GLN 100 1HE2 GLN 100 -0.561 -14.763 16.570 738 HE22 GLN 100 2HE2 GLN 100 0.630 -15.358 17.707 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -24.552 7.483 -11.658 2 HA2 GLY 1 1HA GLY 1 -23.403 9.693 -10.047 3 HA3 GLY 1 2HA GLY 1 -24.341 8.347 -9.359 4 H SER 2 H SER 2 -21.685 8.950 -8.539 5 HA SER 2 HA SER 2 -20.650 6.282 -8.771 6 HB2 SER 2 1HB SER 2 -19.009 8.580 -9.878 7 HB3 SER 2 2HB SER 2 -18.304 7.033 -9.363 8 HG SER 2 HG SER 2 -20.531 6.878 -10.991 9 H HIS 3 H HIS 3 -21.211 6.204 -6.698 10 HA HIS 3 HA HIS 3 -20.050 8.064 -4.684 11 HB2 HIS 3 1HB HIS 3 -22.486 8.387 -5.185 12 HB3 HIS 3 2HB HIS 3 -22.775 6.686 -4.871 13 HD1 HIS 3 1HD HIS 3 -24.551 7.455 -2.978 14 HD2 HIS 3 2HD HIS 3 -20.501 8.377 -2.307 15 HE1 HIS 3 1HE HIS 3 -24.377 8.203 -0.553 16 H GLU 4 H GLU 4 -18.438 6.054 -5.428 17 HA GLU 4 HA GLU 4 -18.386 4.337 -3.163 18 HB2 GLU 4 1HB GLU 4 -20.130 3.463 -5.171 19 HB3 GLU 4 2HB GLU 4 -18.680 2.627 -5.635 20 HG2 GLU 4 1HG GLU 4 -19.958 2.606 -2.866 21 HG3 GLU 4 2HG GLU 4 -20.159 1.344 -4.078 22 H GLY 5 H GLY 5 -16.149 4.912 -2.930 23 HA2 GLY 5 1HA GLY 5 -14.145 3.627 -4.431 24 HA3 GLY 5 2HA GLY 5 -14.357 5.242 -5.122 25 H GLU 6 H GLU 6 -13.291 3.414 -2.325 26 HA GLU 6 HA GLU 6 -12.534 5.883 -0.859 27 HB2 GLU 6 1HB GLU 6 -12.839 4.698 1.154 28 HB3 GLU 6 2HB GLU 6 -14.213 4.302 0.153 29 HG2 GLU 6 1HG GLU 6 -12.995 2.179 -0.548 30 HG3 GLU 6 2HG GLU 6 -11.728 2.585 0.629 31 HA PRO 7 HA PRO 7 -8.277 4.670 -1.350 32 HB2 PRO 7 1HB PRO 7 -6.980 5.632 0.840 33 HB3 PRO 7 2HB PRO 7 -7.772 6.772 -0.280 34 HG2 PRO 7 1HG PRO 7 -8.865 5.546 2.306 35 HG3 PRO 7 2HG PRO 7 -8.932 7.249 1.816 36 HD2 PRO 7 1HD PRO 7 -11.012 5.570 1.519 37 HD3 PRO 7 2HD PRO 7 -10.716 6.886 0.347 38 H VAL 8 H VAL 8 -9.314 2.445 -1.146 39 HA VAL 8 HA VAL 8 -7.615 0.862 0.682 40 HB VAL 8 HB VAL 8 -10.019 1.053 1.581 41 HG11 VAL 8 1HG1 VAL 8 -11.701 -0.409 0.709 42 HG12 VAL 8 2HG1 VAL 8 -11.152 0.609 -0.634 43 HG13 VAL 8 3HG1 VAL 8 -10.612 -1.075 -0.517 44 HG21 VAL 8 3HG2 VAL 8 -8.284 -0.589 2.335 45 HG22 VAL 8 1HG2 VAL 8 -9.944 -1.155 2.481 46 HG23 VAL 8 2HG2 VAL 8 -8.940 -1.764 1.163 47 H VAL 9 H VAL 9 -7.491 -1.475 -0.203 48 HA VAL 9 HA VAL 9 -7.335 -1.339 -3.149 49 HB VAL 9 HB VAL 9 -5.226 -1.791 -2.255 50 HG11 VAL 9 1HG1 VAL 9 -6.410 -3.822 -0.400 51 HG12 VAL 9 2HG1 VAL 9 -4.683 -3.668 -0.758 52 HG13 VAL 9 3HG1 VAL 9 -5.543 -2.334 0.001 53 HG21 VAL 9 3HG2 VAL 9 -4.597 -3.776 -3.337 54 HG22 VAL 9 1HG2 VAL 9 -6.183 -4.542 -3.034 55 HG23 VAL 9 2HG2 VAL 9 -6.036 -3.222 -4.168 56 H GLY 10 H GLY 10 -9.440 -1.673 -3.764 57 HA2 GLY 10 1HA GLY 10 -10.808 -4.178 -2.965 58 HA3 GLY 10 2HA GLY 10 -11.458 -2.888 -3.963 59 H MET 11 H MET 11 -10.751 -2.638 -6.130 60 HA MET 11 HA MET 11 -9.142 -4.829 -7.334 61 HB2 MET 11 1HB MET 11 -11.646 -3.671 -8.595 62 HB3 MET 11 2HB MET 11 -10.551 -4.886 -9.258 63 HG2 MET 11 1HG MET 11 -11.203 -6.034 -6.838 64 HG3 MET 11 2HG MET 11 -12.675 -5.139 -7.208 65 HE1 MET 11 3HE MET 11 -10.603 -8.333 -7.720 66 HE2 MET 11 1HE MET 11 -10.921 -8.810 -9.404 67 HE3 MET 11 2HE MET 11 -9.961 -7.358 -9.054 68 H ASP 12 H ASP 12 -10.519 -1.505 -7.846 69 HA ASP 12 HA ASP 12 -8.658 -1.213 -10.091 70 HB2 ASP 12 1HB ASP 12 -11.233 -0.147 -9.539 71 HB3 ASP 12 2HB ASP 12 -10.132 1.223 -9.532 72 H LYS 13 H LYS 13 -6.646 -0.311 -9.960 73 HA LYS 13 HA LYS 13 -5.820 0.360 -7.317 74 HB2 LYS 13 1HB LYS 13 -4.478 -0.239 -9.933 75 HB3 LYS 13 2HB LYS 13 -3.539 0.637 -8.747 76 HG2 LYS 13 1HG LYS 13 -4.732 -2.168 -8.245 77 HG3 LYS 13 2HG LYS 13 -3.064 -1.654 -8.536 78 HD2 LYS 13 1HD LYS 13 -2.789 -1.383 -6.361 79 HD3 LYS 13 2HD LYS 13 -4.024 -0.129 -6.329 80 HE2 LYS 13 1HE LYS 13 -4.463 -3.114 -6.035 81 HE3 LYS 13 2HE LYS 13 -4.676 -1.874 -4.807 82 HZ1 LYS 13 3HZ LYS 13 -6.716 -2.747 -5.972 83 HZ2 LYS 13 1HZ LYS 13 -6.292 -1.985 -7.306 84 HZ3 LYS 13 2HZ LYS 13 -6.656 -1.125 -5.926 85 H SER 14 H SER 14 -7.252 2.631 -9.210 86 HA SER 14 HA SER 14 -5.337 4.729 -8.260 87 HB2 SER 14 1HB SER 14 -7.274 4.762 -10.574 88 HB3 SER 14 2HB SER 14 -6.209 6.092 -10.084 89 HG SER 14 HG SER 14 -5.304 4.882 -11.711 90 H LEU 15 H LEU 15 -6.634 4.099 -6.179 91 HA LEU 15 HA LEU 15 -8.625 6.288 -5.817 92 HB2 LEU 15 1HB LEU 15 -8.853 3.443 -4.762 93 HB3 LEU 15 2HB LEU 15 -9.866 4.780 -4.233 94 HG LEU 15 HG LEU 15 -9.778 3.809 -7.120 95 HD11 LEU 15 1HD1 LEU 15 -12.022 2.806 -6.575 96 HD12 LEU 15 2HD1 LEU 15 -11.682 3.123 -4.857 97 HD13 LEU 15 3HD1 LEU 15 -10.646 2.028 -5.793 98 HD21 LEU 15 3HD2 LEU 15 -11.906 5.043 -7.322 99 HD22 LEU 15 1HD2 LEU 15 -10.563 6.125 -6.928 100 HD23 LEU 15 2HD2 LEU 15 -11.710 5.647 -5.646 101 H PHE 16 H PHE 16 -5.606 5.592 -5.057 102 HA PHE 16 HA PHE 16 -5.778 5.486 -2.092 103 HB2 PHE 16 1HB PHE 16 -3.381 5.121 -3.944 104 HB3 PHE 16 2HB PHE 16 -3.367 4.965 -2.200 105 HD1 PHE 16 2HD PHE 16 -4.933 3.597 -5.318 106 HD2 PHE 16 1HD PHE 16 -3.885 2.914 -1.217 107 HE1 PHE 16 2HE PHE 16 -5.844 1.315 -5.481 108 HE2 PHE 16 1HE PHE 16 -4.588 0.507 -1.442 109 HZ PHE 16 HZ PHE 16 -5.602 -0.245 -3.616 110 H ALA 17 H ALA 17 -3.966 7.249 -4.632 111 HA ALA 17 HA ALA 17 -3.129 9.444 -2.996 112 HB1 ALA 17 1HB ALA 17 -3.435 9.179 -6.010 113 HB2 ALA 17 2HB ALA 17 -2.750 10.578 -5.170 114 HB3 ALA 17 3HB ALA 17 -1.945 9.009 -5.046 115 H GLY 18 H GLY 18 -4.972 10.153 -1.871 116 HA2 GLY 18 1HA GLY 18 -6.905 11.912 -2.808 117 HA3 GLY 18 2HA GLY 18 -7.594 10.287 -3.023 118 H ASN 19 H ASN 19 -5.800 9.577 -0.373 119 HA ASN 19 HA ASN 19 -7.109 11.529 1.460 120 HB2 ASN 19 1HB ASN 19 -8.403 9.349 1.217 121 HB3 ASN 19 2HB ASN 19 -7.049 8.582 2.053 122 HD21 ASN 19 1HD2 ASN 19 -8.903 8.099 3.786 123 HD22 ASN 19 2HD2 ASN 19 -9.112 9.377 4.921 124 H THR 20 H THR 20 -6.035 12.121 3.231 125 HA THR 20 HA THR 20 -3.116 11.867 3.024 126 HB THR 20 HB THR 20 -3.394 14.244 4.046 127 HG1 THR 20 1HG THR 20 -5.424 15.132 3.755 128 HG21 THR 20 3HG2 THR 20 -2.763 14.043 1.770 129 HG22 THR 20 1HG2 THR 20 -4.065 15.228 1.840 130 HG23 THR 20 2HG2 THR 20 -4.395 13.581 1.253 131 H VAL 21 H VAL 21 -5.010 10.312 4.919 132 HA VAL 21 HA VAL 21 -3.662 10.806 7.530 133 HB VAL 21 HB VAL 21 -5.684 12.129 7.329 134 HG11 VAL 21 1HG1 VAL 21 -7.064 10.809 5.848 135 HG12 VAL 21 2HG1 VAL 21 -7.209 9.514 7.062 136 HG13 VAL 21 3HG1 VAL 21 -7.927 11.118 7.351 137 HG21 VAL 21 3HG2 VAL 21 -6.648 11.665 9.441 138 HG22 VAL 21 1HG2 VAL 21 -6.116 9.979 9.414 139 HG23 VAL 21 2HG2 VAL 21 -4.920 11.283 9.535 140 H ILE 22 H ILE 22 -3.626 8.600 5.294 141 HA ILE 22 HA ILE 22 -4.962 6.354 6.649 142 HB ILE 22 HB ILE 22 -5.700 6.522 4.513 143 HG12 ILE 22 1HG1 ILE 22 -3.612 4.344 4.275 144 HG13 ILE 22 2HG1 ILE 22 -5.020 4.293 5.341 145 HG21 ILE 22 1HG2 ILE 22 -4.430 6.696 2.439 146 HG22 ILE 22 2HG2 ILE 22 -3.819 7.971 3.482 147 HG23 ILE 22 3HG2 ILE 22 -2.890 6.481 3.300 148 HD11 ILE 22 3HD1 ILE 22 -5.041 4.427 2.315 149 HD12 ILE 22 1HD1 ILE 22 -5.591 3.115 3.378 150 HD13 ILE 22 2HD1 ILE 22 -6.487 4.643 3.353 151 H ARG 23 H ARG 23 -3.639 6.014 8.319 152 HA ARG 23 HA ARG 23 -0.759 5.643 7.818 153 HB2 ARG 23 1HB ARG 23 -2.380 5.843 10.366 154 HB3 ARG 23 2HB ARG 23 -0.645 5.459 10.335 155 HG2 ARG 23 1HG ARG 23 -0.126 7.491 9.134 156 HG3 ARG 23 2HG ARG 23 -1.840 7.990 9.173 157 HD2 ARG 23 1HD ARG 23 -0.068 7.451 11.581 158 HD3 ARG 23 2HD ARG 23 -0.370 9.060 10.891 159 HE ARG 23 HE ARG 23 -2.888 7.949 11.384 160 HH11 ARG 23 1HH1 ARG 23 -0.027 8.742 13.306 161 HH12 ARG 23 2HH1 ARG 23 -0.937 9.336 14.669 162 HH21 ARG 23 1HH2 ARG 23 -4.069 8.380 13.242 163 HH22 ARG 23 2HH2 ARG 23 -3.270 8.771 14.752 164 H GLU 24 H GLU 24 -2.927 3.564 6.954 165 HA GLU 24 HA GLU 24 -0.989 1.490 7.335 166 HB2 GLU 24 1HB GLU 24 -3.924 0.867 7.936 167 HB3 GLU 24 2HB GLU 24 -2.609 -0.295 7.866 168 HG2 GLU 24 1HG GLU 24 -1.666 0.582 9.933 169 HG3 GLU 24 2HG GLU 24 -2.918 1.843 10.006 170 H ILE 25 H ILE 25 -0.998 0.198 5.434 171 HA ILE 25 HA ILE 25 -3.535 -0.014 3.948 172 HB ILE 25 HB ILE 25 -0.902 0.643 2.572 173 HG12 ILE 25 1HG1 ILE 25 -3.571 2.117 2.646 174 HG13 ILE 25 2HG1 ILE 25 -2.132 2.605 3.451 175 HG21 ILE 25 1HG2 ILE 25 -3.605 -0.055 1.322 176 HG22 ILE 25 2HG2 ILE 25 -2.096 0.317 0.452 177 HG23 ILE 25 3HG2 ILE 25 -2.221 -1.154 1.401 178 HD11 ILE 25 3HD1 ILE 25 -0.997 2.811 1.190 179 HD12 ILE 25 1HD1 ILE 25 -2.586 2.538 0.463 180 HD13 ILE 25 2HD1 ILE 25 -2.332 3.953 1.489 181 H THR 26 H THR 26 -3.925 -2.091 4.543 182 HA THR 26 HA THR 26 -1.846 -4.145 4.423 183 HB THR 26 HB THR 26 -4.889 -4.445 4.285 184 HG1 THR 26 1HG THR 26 -4.590 -3.371 6.121 185 HG21 THR 26 3HG2 THR 26 -2.711 -6.295 5.356 186 HG22 THR 26 1HG2 THR 26 -3.539 -6.476 3.786 187 HG23 THR 26 2HG2 THR 26 -4.460 -6.626 5.285 188 H VAL 27 H VAL 27 -1.463 -5.442 2.466 189 HA VAL 27 HA VAL 27 -3.231 -5.012 0.128 190 HB VAL 27 HB VAL 27 -0.231 -5.292 -0.217 191 HG11 VAL 27 1HG1 VAL 27 -0.688 -4.363 -2.440 192 HG12 VAL 27 2HG1 VAL 27 -1.746 -5.744 -2.160 193 HG13 VAL 27 3HG1 VAL 27 -2.397 -4.109 -2.018 194 HG21 VAL 27 3HG2 VAL 27 -0.026 -2.905 -0.671 195 HG22 VAL 27 1HG2 VAL 27 -1.703 -2.644 -0.138 196 HG23 VAL 27 2HG2 VAL 27 -0.454 -3.183 1.021 197 H GLN 28 H GLN 28 -3.981 -6.988 -0.585 198 HA GLN 28 HA GLN 28 -2.624 -9.450 0.321 199 HB2 GLN 28 1HB GLN 28 -5.190 -8.976 -1.257 200 HB3 GLN 28 2HB GLN 28 -4.524 -10.529 -0.762 201 HG2 GLN 28 1HG GLN 28 -5.782 -10.368 1.013 202 HG3 GLN 28 2HG GLN 28 -4.544 -9.310 1.647 203 HE21 GLN 28 1HE2 GLN 28 -5.107 -7.315 2.360 204 HE22 GLN 28 2HE2 GLN 28 -6.613 -6.521 1.936 205 HA PRO 29 HA PRO 29 -0.365 -9.849 -3.475 206 HB2 PRO 29 1HB PRO 29 -0.293 -12.529 -3.936 207 HB3 PRO 29 2HB PRO 29 0.625 -11.724 -2.617 208 HG2 PRO 29 1HG PRO 29 -1.990 -13.209 -2.508 209 HG3 PRO 29 2HG PRO 29 -0.607 -13.289 -1.355 210 HD2 PRO 29 1HD PRO 29 -2.821 -11.786 -0.839 211 HD3 PRO 29 2HD PRO 29 -1.193 -11.301 -0.306 212 H ASN 30 H ASN 30 -0.472 -10.714 -5.699 213 HA ASN 30 HA ASN 30 -1.489 -10.501 -7.752 214 HB2 ASN 30 1HB ASN 30 -2.704 -12.942 -6.446 215 HB3 ASN 30 2HB ASN 30 -2.993 -12.543 -8.131 216 HD21 ASN 30 1HD2 ASN 30 -0.961 -14.456 -6.310 217 HD22 ASN 30 2HD2 ASN 30 0.423 -14.430 -7.382 218 H ILE 31 H ILE 31 -2.674 -8.513 -6.248 219 HA ILE 31 HA ILE 31 -5.356 -8.449 -7.499 220 HB ILE 31 HB ILE 31 -5.570 -9.374 -5.289 221 HG12 ILE 31 1HG1 ILE 31 -6.847 -6.703 -4.946 222 HG13 ILE 31 2HG1 ILE 31 -7.240 -7.575 -6.432 223 HG21 ILE 31 1HG2 ILE 31 -5.146 -8.060 -3.281 224 HG22 ILE 31 2HG2 ILE 31 -3.684 -8.243 -4.229 225 HG23 ILE 31 3HG2 ILE 31 -4.545 -6.695 -4.262 226 HD11 ILE 31 3HD1 ILE 31 -8.845 -8.030 -4.627 227 HD12 ILE 31 1HD1 ILE 31 -7.972 -9.507 -5.122 228 HD13 ILE 31 2HD1 ILE 31 -7.515 -8.678 -3.619 229 H GLY 32 H GLY 32 -2.459 -6.837 -7.535 230 HA2 GLY 32 1HA GLY 32 -3.497 -4.676 -8.842 231 HA3 GLY 32 2HA GLY 32 -3.300 -4.118 -7.179 232 H LEU 33 H LEU 33 -1.928 -3.893 -10.027 233 HA LEU 33 HA LEU 33 0.875 -4.208 -9.540 234 HB2 LEU 33 1HB LEU 33 0.026 -3.784 -11.783 235 HB3 LEU 33 2HB LEU 33 -0.763 -2.293 -11.237 236 HG LEU 33 HG LEU 33 1.459 -1.280 -10.767 237 HD11 LEU 33 1HD1 LEU 33 3.507 -2.348 -11.678 238 HD12 LEU 33 2HD1 LEU 33 2.585 -3.832 -11.985 239 HD13 LEU 33 3HD1 LEU 33 2.848 -3.256 -10.324 240 HD21 LEU 33 3HD2 LEU 33 1.234 -2.323 -13.605 241 HD22 LEU 33 1HD2 LEU 33 2.035 -0.850 -13.029 242 HD23 LEU 33 2HD2 LEU 33 0.289 -0.961 -12.924 243 H LEU 34 H LEU 34 2.263 -2.907 -8.366 244 HA LEU 34 HA LEU 34 1.153 -0.579 -6.949 245 HB2 LEU 34 1HB LEU 34 3.511 -2.397 -6.435 246 HB3 LEU 34 2HB LEU 34 3.273 -0.853 -5.626 247 HG LEU 34 HG LEU 34 0.917 -2.681 -5.589 248 HD11 LEU 34 1HD1 LEU 34 3.352 -3.317 -3.900 249 HD12 LEU 34 2HD1 LEU 34 2.659 -4.339 -5.158 250 HD13 LEU 34 3HD1 LEU 34 1.735 -4.018 -3.684 251 HD21 LEU 34 3HD2 LEU 34 2.373 -1.116 -3.427 252 HD22 LEU 34 1HD2 LEU 34 0.735 -1.804 -3.302 253 HD23 LEU 34 2HD2 LEU 34 1.055 -0.466 -4.436 254 H TYR 35 H TYR 35 1.198 0.710 -8.942 255 HA TYR 35 HA TYR 35 3.715 0.980 -10.377 256 HB2 TYR 35 1HB TYR 35 2.503 2.525 -11.798 257 HB3 TYR 35 2HB TYR 35 1.631 1.033 -11.597 258 HD1 TYR 35 2HD TYR 35 1.759 4.583 -10.460 259 HD2 TYR 35 1HD TYR 35 -0.668 1.042 -10.820 260 HE1 TYR 35 2HE TYR 35 -0.254 5.933 -10.000 261 HE2 TYR 35 1HE TYR 35 -2.708 2.410 -10.425 262 HH TYR 35 HH TYR 35 -3.570 4.626 -10.220 263 H ASP 36 H ASP 36 4.638 3.197 -10.863 264 HA ASP 36 HA ASP 36 5.380 4.565 -8.441 265 HB2 ASP 36 1HB ASP 36 6.763 5.923 -9.890 266 HB3 ASP 36 2HB ASP 36 6.999 4.214 -10.219 267 H GLY 37 H GLY 37 4.106 6.009 -7.474 268 HA2 GLY 37 1HA GLY 37 3.295 8.288 -7.578 269 HA3 GLY 37 2HA GLY 37 2.517 7.937 -9.115 270 H MET 38 H MET 38 2.021 5.163 -7.389 271 HA MET 38 HA MET 38 -0.735 5.365 -7.127 272 HB2 MET 38 1HB MET 38 1.367 3.605 -5.850 273 HB3 MET 38 2HB MET 38 -0.233 3.629 -5.141 274 HG2 MET 38 1HG MET 38 -1.153 3.209 -7.493 275 HG3 MET 38 2HG MET 38 0.516 2.774 -7.920 276 HE1 MET 38 3HE MET 38 -2.309 0.593 -4.994 277 HE2 MET 38 1HE MET 38 -2.031 2.350 -4.940 278 HE3 MET 38 2HE MET 38 -2.801 1.605 -6.365 279 H PHE 39 H PHE 39 1.706 5.799 -4.572 280 HA PHE 39 HA PHE 39 -0.395 6.581 -2.634 281 HB2 PHE 39 1HB PHE 39 2.566 5.909 -2.281 282 HB3 PHE 39 2HB PHE 39 1.374 6.077 -1.000 283 HD1 PHE 39 2HD PHE 39 -0.827 4.491 -1.394 284 HD2 PHE 39 1HD PHE 39 3.141 3.652 -2.924 285 HE1 PHE 39 2HE PHE 39 -1.348 2.066 -1.507 286 HE2 PHE 39 1HE PHE 39 2.649 1.302 -2.964 287 HZ PHE 39 HZ PHE 39 0.381 0.453 -2.242 288 H SER 40 H SER 40 1.053 8.332 -4.838 289 HA SER 40 HA SER 40 2.632 10.183 -3.370 290 HB2 SER 40 1HB SER 40 2.781 9.681 -5.824 291 HB3 SER 40 2HB SER 40 1.246 10.535 -6.058 292 HG SER 40 HG SER 40 3.157 11.736 -6.458 293 H GLY 41 H GLY 41 1.871 11.474 -1.841 294 HA2 GLY 41 1HA GLY 41 0.543 13.398 -1.232 295 HA3 GLY 41 2HA GLY 41 -0.799 12.778 -2.189 296 H CYS 42 H CYS 42 0.348 10.036 -0.686 297 HA CYS 42 HA CYS 42 -1.572 10.210 1.538 298 HB2 CYS 42 1HB CYS 42 0.410 8.034 0.781 299 HB3 CYS 42 2HB CYS 42 -0.882 7.932 1.986 300 HG CYS 42 HG CYS 42 -2.902 8.143 0.431 301 H THR 43 H THR 43 -0.441 12.180 2.338 302 HA THR 43 HA THR 43 2.249 12.195 3.205 303 HB THR 43 HB THR 43 1.431 14.401 4.210 304 HG1 THR 43 1HG THR 43 -0.655 15.001 3.493 305 HG21 THR 43 3HG2 THR 43 1.039 15.489 2.046 306 HG22 THR 43 1HG2 THR 43 0.706 13.929 1.279 307 HG23 THR 43 2HG2 THR 43 2.323 14.287 1.896 308 H ALA 44 H ALA 44 -0.062 10.386 4.561 309 HA ALA 44 HA ALA 44 1.238 10.355 7.199 310 HB1 ALA 44 1HB ALA 44 -0.880 11.721 7.447 311 HB2 ALA 44 2HB ALA 44 -1.770 10.346 6.786 312 HB3 ALA 44 3HB ALA 44 -0.937 10.187 8.343 313 H LEU 45 H LEU 45 1.791 8.746 5.046 314 HA LEU 45 HA LEU 45 0.417 6.176 5.765 315 HB2 LEU 45 1HB LEU 45 -0.214 6.861 3.588 316 HB3 LEU 45 2HB LEU 45 1.479 7.164 3.125 317 HG LEU 45 HG LEU 45 1.942 4.707 3.373 318 HD11 LEU 45 1HD1 LEU 45 0.083 4.040 4.902 319 HD12 LEU 45 2HD1 LEU 45 -0.036 3.181 3.369 320 HD13 LEU 45 3HD1 LEU 45 -1.094 4.548 3.671 321 HD21 LEU 45 3HD2 LEU 45 1.475 5.823 1.240 322 HD22 LEU 45 1HD2 LEU 45 -0.272 5.539 1.451 323 HD23 LEU 45 2HD2 LEU 45 0.842 4.183 1.246 324 H GLU 46 H GLU 46 1.747 5.303 7.186 325 HA GLU 46 HA GLU 46 4.642 5.159 6.538 326 HB2 GLU 46 1HB GLU 46 5.099 5.261 8.842 327 HB3 GLU 46 2HB GLU 46 4.181 6.689 8.340 328 HG2 GLU 46 1HG GLU 46 2.158 5.802 9.378 329 HG3 GLU 46 2HG GLU 46 2.978 4.271 9.707 330 H LYS 47 H LYS 47 1.870 3.114 6.977 331 HA LYS 47 HA LYS 47 3.665 0.804 7.539 332 HB2 LYS 47 1HB LYS 47 1.144 1.778 8.858 333 HB3 LYS 47 2HB LYS 47 1.292 0.048 8.661 334 HG2 LYS 47 1HG LYS 47 3.708 1.480 9.733 335 HG3 LYS 47 2HG LYS 47 2.294 1.448 10.776 336 HD2 LYS 47 1HD LYS 47 2.314 -0.877 11.024 337 HD3 LYS 47 2HD LYS 47 3.097 -1.145 9.463 338 HE2 LYS 47 1HE LYS 47 4.672 -1.703 11.169 339 HE3 LYS 47 2HE LYS 47 5.187 -0.283 10.259 340 HZ1 LYS 47 3HZ LYS 47 4.394 1.080 12.176 341 HZ2 LYS 47 1HZ LYS 47 5.575 0.022 12.581 342 HZ3 LYS 47 2HZ LYS 47 4.027 -0.337 12.975 343 H LEU 48 H LEU 48 3.661 -0.655 6.046 344 HA LEU 48 HA LEU 48 1.207 -1.123 4.441 345 HB2 LEU 48 1HB LEU 48 3.300 -0.304 3.191 346 HB3 LEU 48 2HB LEU 48 4.077 -1.773 3.694 347 HG LEU 48 HG LEU 48 1.710 -2.798 2.615 348 HD11 LEU 48 1HD1 LEU 48 1.356 -1.563 0.485 349 HD12 LEU 48 2HD1 LEU 48 2.463 -0.307 1.074 350 HD13 LEU 48 3HD1 LEU 48 0.933 -0.607 1.911 351 HD21 LEU 48 3HD2 LEU 48 3.103 -3.212 0.569 352 HD22 LEU 48 1HD2 LEU 48 3.827 -3.678 2.112 353 HD23 LEU 48 2HD2 LEU 48 4.376 -2.199 1.301 354 H ILE 49 H ILE 49 0.505 -3.293 4.469 355 HA ILE 49 HA ILE 49 2.232 -5.274 5.859 356 HB ILE 49 HB ILE 49 -0.771 -4.931 6.324 357 HG12 ILE 49 1HG1 ILE 49 0.409 -4.780 8.779 358 HG13 ILE 49 2HG1 ILE 49 1.673 -4.067 7.806 359 HG21 ILE 49 1HG2 ILE 49 -0.044 -7.299 6.337 360 HG22 ILE 49 2HG2 ILE 49 1.301 -6.890 7.426 361 HG23 ILE 49 3HG2 ILE 49 -0.370 -6.767 7.989 362 HD11 ILE 49 3HD1 ILE 49 0.352 -2.322 8.762 363 HD12 ILE 49 1HD1 ILE 49 0.114 -2.305 7.012 364 HD13 ILE 49 2HD1 ILE 49 -1.143 -3.003 8.053 365 H LEU 50 H LEU 50 2.411 -7.134 4.813 366 HA LEU 50 HA LEU 50 0.860 -7.416 2.263 367 HB2 LEU 50 1HB LEU 50 3.660 -8.365 2.971 368 HB3 LEU 50 2HB LEU 50 2.803 -8.768 1.492 369 HG LEU 50 HG LEU 50 3.806 -6.038 2.371 370 HD11 LEU 50 1HD1 LEU 50 4.296 -7.696 -0.133 371 HD12 LEU 50 2HD1 LEU 50 5.395 -7.577 1.258 372 HD13 LEU 50 3HD1 LEU 50 5.055 -6.140 0.278 373 HD21 LEU 50 3HD2 LEU 50 1.790 -6.706 0.217 374 HD22 LEU 50 1HD2 LEU 50 2.864 -5.326 0.031 375 HD23 LEU 50 2HD2 LEU 50 1.744 -5.400 1.409 376 H THR 51 H THR 51 -0.698 -8.898 2.406 377 HA THR 51 HA THR 51 -0.443 -10.991 4.407 378 HB THR 51 HB THR 51 -2.648 -11.329 4.368 379 HG1 THR 51 1HG THR 51 -2.746 -11.931 2.200 380 HG21 THR 51 3HG2 THR 51 -2.665 -8.550 3.154 381 HG22 THR 51 1HG2 THR 51 -2.247 -8.905 4.848 382 HG23 THR 51 2HG2 THR 51 -3.864 -9.275 4.241 383 H GLY 52 H GLY 52 1.177 -10.916 1.750 384 HA2 GLY 52 1HA GLY 52 0.604 -13.684 0.811 385 HA3 GLY 52 2HA GLY 52 1.514 -12.458 -0.083 386 H GLU 53 H GLU 53 2.791 -14.728 0.148 387 HA GLU 53 HA GLU 53 4.795 -14.486 2.326 388 HB2 GLU 53 1HB GLU 53 3.014 -16.788 1.492 389 HB3 GLU 53 2HB GLU 53 4.582 -17.122 2.221 390 HG2 GLU 53 1HG GLU 53 4.052 -16.167 4.270 391 HG3 GLU 53 2HG GLU 53 2.763 -15.163 3.617 392 H ASP 54 H ASP 54 4.865 -13.517 -0.464 393 HA ASP 54 HA ASP 54 7.368 -14.765 -1.251 394 HB2 ASP 54 1HB ASP 54 5.321 -16.185 -2.215 395 HB3 ASP 54 2HB ASP 54 5.110 -14.841 -3.311 396 HA PRO 55 HA PRO 55 7.657 -10.632 -3.095 397 HB2 PRO 55 1HB PRO 55 9.787 -11.084 -4.821 398 HB3 PRO 55 2HB PRO 55 9.936 -10.727 -3.080 399 HG2 PRO 55 1HG PRO 55 10.059 -13.399 -4.457 400 HG3 PRO 55 2HG PRO 55 11.007 -12.827 -3.065 401 HD2 PRO 55 1HD PRO 55 8.933 -14.486 -2.746 402 HD3 PRO 55 2HD PRO 55 9.318 -13.220 -1.560 403 H SER 56 H SER 56 7.641 -13.525 -5.261 404 HA SER 56 HA SER 56 6.949 -11.865 -7.552 405 HB2 SER 56 1HB SER 56 6.919 -14.885 -7.224 406 HB3 SER 56 2HB SER 56 6.811 -13.992 -8.750 407 HG SER 56 HG SER 56 8.859 -12.995 -8.100 408 H ALA 57 H ALA 57 5.061 -13.229 -4.989 409 HA ALA 57 HA ALA 57 2.563 -13.445 -6.425 410 HB1 ALA 57 1HB ALA 57 3.042 -12.972 -3.458 411 HB2 ALA 57 2HB ALA 57 1.554 -13.543 -4.237 412 HB3 ALA 57 3HB ALA 57 2.984 -14.576 -4.256 413 H TYR 58 H TYR 58 4.427 -10.716 -5.737 414 HA TYR 58 HA TYR 58 2.063 -8.906 -5.669 415 HB2 TYR 58 1HB TYR 58 4.812 -8.726 -4.411 416 HB3 TYR 58 2HB TYR 58 3.894 -7.268 -4.738 417 HD1 TYR 58 1HD TYR 58 1.644 -6.899 -3.729 418 HD2 TYR 58 2HD TYR 58 4.135 -10.236 -2.644 419 HE1 TYR 58 1HE TYR 58 0.201 -7.311 -1.777 420 HE2 TYR 58 2HE TYR 58 2.700 -10.651 -0.641 421 HH TYR 58 HH TYR 58 -0.067 -8.536 0.190 422 H SER 59 H SER 59 3.397 -6.574 -6.469 423 HA SER 59 HA SER 59 4.919 -7.035 -8.839 424 HB2 SER 59 1HB SER 59 2.241 -5.574 -8.897 425 HB3 SER 59 2HB SER 59 3.417 -5.602 -10.224 426 HG SER 59 HG SER 59 2.782 -8.095 -9.331 427 H ALA 60 H ALA 60 5.613 -4.684 -9.580 428 HA ALA 60 HA ALA 60 5.073 -2.397 -7.873 429 HB1 ALA 60 1HB ALA 60 7.364 -2.112 -7.064 430 HB2 ALA 60 2HB ALA 60 6.610 -3.553 -6.365 431 HB3 ALA 60 3HB ALA 60 7.813 -3.725 -7.662 432 H GLY 61 H GLY 61 5.490 -0.654 -9.160 433 HA2 GLY 61 1HA GLY 61 6.969 -0.870 -11.710 434 HA3 GLY 61 2HA GLY 61 6.185 0.579 -11.023 435 H ASP 62 H ASP 62 8.380 1.560 -11.435 436 HA ASP 62 HA ASP 62 10.691 0.684 -9.947 437 HB2 ASP 62 1HB ASP 62 10.979 2.199 -11.844 438 HB3 ASP 62 2HB ASP 62 9.979 3.437 -11.053 439 H GLY 63 H GLY 63 8.480 3.425 -9.445 440 HA2 GLY 63 1HA GLY 63 9.483 3.947 -6.788 441 HA3 GLY 63 2HA GLY 63 8.267 4.844 -7.718 442 H LEU 64 H LEU 64 8.608 1.605 -6.254 443 HA LEU 64 HA LEU 64 6.005 0.885 -5.744 444 HB2 LEU 64 1HB LEU 64 7.827 -0.562 -5.132 445 HB3 LEU 64 2HB LEU 64 8.388 0.554 -3.879 446 HG LEU 64 HG LEU 64 6.425 0.166 -2.507 447 HD11 LEU 64 1HD1 LEU 64 4.596 -0.057 -3.994 448 HD12 LEU 64 2HD1 LEU 64 4.776 -1.656 -3.284 449 HD13 LEU 64 3HD1 LEU 64 5.404 -1.373 -4.908 450 HD21 LEU 64 3HD2 LEU 64 6.623 -2.174 -1.982 451 HD22 LEU 64 1HD2 LEU 64 8.252 -1.531 -2.360 452 HD23 LEU 64 2HD2 LEU 64 7.368 -2.514 -3.544 453 H ARG 65 H ARG 65 7.987 3.083 -3.633 454 HA ARG 65 HA ARG 65 5.476 3.899 -2.237 455 HB2 ARG 65 1HB ARG 65 6.769 4.515 -0.299 456 HB3 ARG 65 2HB ARG 65 7.013 2.817 -0.694 457 HG2 ARG 65 1HG ARG 65 9.198 3.285 -1.625 458 HG3 ARG 65 2HG ARG 65 9.000 5.006 -1.372 459 HD2 ARG 65 1HD ARG 65 8.501 3.878 1.172 460 HD3 ARG 65 2HD ARG 65 9.842 2.933 0.519 461 HE ARG 65 HE ARG 65 10.066 5.471 1.688 462 HH11 ARG 65 1HH1 ARG 65 11.271 3.823 -1.185 463 HH12 ARG 65 2HH1 ARG 65 12.622 4.891 -1.391 464 HH21 ARG 65 1HH2 ARG 65 11.599 7.073 1.212 465 HH22 ARG 65 2HH2 ARG 65 12.704 6.836 -0.087 466 H ASP 66 H ASP 66 6.087 5.061 -4.812 467 HA ASP 66 HA ASP 66 7.625 7.428 -4.400 468 HB2 ASP 66 1HB ASP 66 7.042 6.463 -6.663 469 HB3 ASP 66 2HB ASP 66 5.461 7.253 -6.488 470 H GLY 67 H GLY 67 7.186 9.218 -3.300 471 HA2 GLY 67 1HA GLY 67 6.037 11.001 -2.510 472 HA3 GLY 67 2HA GLY 67 4.581 10.354 -3.239 473 H ALA 68 H ALA 68 6.026 8.066 -1.089 474 HA ALA 68 HA ALA 68 5.057 9.264 1.379 475 HB1 ALA 68 1HB ALA 68 3.052 8.003 0.642 476 HB2 ALA 68 2HB ALA 68 4.041 6.544 0.412 477 HB3 ALA 68 3HB ALA 68 3.802 7.213 2.042 478 H ASP 69 H ASP 69 5.829 7.731 3.260 479 HA ASP 69 HA ASP 69 8.134 6.077 2.454 480 HB2 ASP 69 1HB ASP 69 9.087 8.291 2.886 481 HB3 ASP 69 2HB ASP 69 8.366 8.295 4.498 482 H PHE 70 H PHE 70 7.090 4.296 2.979 483 HA PHE 70 HA PHE 70 6.235 3.927 5.791 484 HB2 PHE 70 1HB PHE 70 4.544 2.318 4.888 485 HB3 PHE 70 2HB PHE 70 4.267 3.969 4.383 486 HD1 PHE 70 1HD PHE 70 5.582 0.656 3.274 487 HD2 PHE 70 2HD PHE 70 4.179 4.558 2.087 488 HE1 PHE 70 1HE PHE 70 5.562 -0.068 0.919 489 HE2 PHE 70 2HE PHE 70 4.083 3.815 -0.280 490 HZ PHE 70 HZ PHE 70 4.777 1.499 -0.884 491 H LEU 71 H LEU 71 6.223 1.631 6.408 492 HA LEU 71 HA LEU 71 8.612 0.153 5.357 493 HB2 LEU 71 1HB LEU 71 7.278 0.201 8.083 494 HB3 LEU 71 2HB LEU 71 8.458 -1.027 7.603 495 HG LEU 71 HG LEU 71 9.002 1.955 7.851 496 HD11 LEU 71 1HD1 LEU 71 8.636 0.860 10.021 497 HD12 LEU 71 2HD1 LEU 71 10.356 1.230 9.821 498 HD13 LEU 71 3HD1 LEU 71 9.771 -0.436 9.597 499 HD21 LEU 71 3HD2 LEU 71 10.480 0.953 6.163 500 HD22 LEU 71 1HD2 LEU 71 10.887 -0.373 7.283 501 HD23 LEU 71 2HD2 LEU 71 11.380 1.299 7.637 502 H ILE 72 H ILE 72 8.388 -2.120 5.293 503 HA ILE 72 HA ILE 72 5.714 -3.033 4.398 504 HB ILE 72 HB ILE 72 8.476 -3.857 3.538 505 HG12 ILE 72 1HG1 ILE 72 6.623 -2.352 1.693 506 HG13 ILE 72 2HG1 ILE 72 7.541 -1.414 2.856 507 HG21 ILE 72 1HG2 ILE 72 5.821 -4.480 2.191 508 HG22 ILE 72 2HG2 ILE 72 7.419 -5.101 1.761 509 HG23 ILE 72 3HG2 ILE 72 6.656 -5.590 3.269 510 HD11 ILE 72 3HD1 ILE 72 8.752 -1.662 0.739 511 HD12 ILE 72 1HD1 ILE 72 9.622 -2.358 2.131 512 HD13 ILE 72 2HD1 ILE 72 8.795 -3.423 0.986 513 H CYS 73 H CYS 73 4.874 -4.102 6.152 514 HA CYS 73 HA CYS 73 6.521 -5.893 7.765 515 HB2 CYS 73 1HB CYS 73 3.487 -5.862 7.570 516 HB3 CYS 73 2HB CYS 73 4.478 -6.410 8.929 517 HG CYS 73 HG CYS 73 3.732 -3.451 7.762 518 H VAL 74 H VAL 74 6.958 -8.015 7.184 519 HA VAL 74 HA VAL 74 5.110 -9.442 5.377 520 HB VAL 74 HB VAL 74 6.985 -10.495 4.213 521 HG11 VAL 74 1HG1 VAL 74 5.998 -8.368 3.330 522 HG12 VAL 74 2HG1 VAL 74 7.355 -7.489 4.065 523 HG13 VAL 74 3HG1 VAL 74 7.655 -8.684 2.798 524 HG21 VAL 74 3HG2 VAL 74 8.764 -10.387 5.899 525 HG22 VAL 74 1HG2 VAL 74 9.294 -9.668 4.378 526 HG23 VAL 74 2HG2 VAL 74 8.845 -8.621 5.740 527 HA PRO 75 HA PRO 75 5.670 -12.363 8.702 528 HB2 PRO 75 1HB PRO 75 5.488 -14.834 7.485 529 HB3 PRO 75 2HB PRO 75 4.072 -13.764 7.767 530 HG2 PRO 75 1HG PRO 75 5.632 -14.162 5.243 531 HG3 PRO 75 2HG PRO 75 3.868 -14.015 5.458 532 HD2 PRO 75 1HD PRO 75 5.436 -11.921 4.648 533 HD3 PRO 75 2HD PRO 75 3.960 -11.683 5.609 534 H GLU 76 H GLU 76 7.531 -13.343 9.722 535 HA GLU 76 HA GLU 76 10.063 -13.105 8.756 536 HB2 GLU 76 1HB GLU 76 9.821 -13.230 10.971 537 HB3 GLU 76 2HB GLU 76 8.620 -14.520 10.929 538 HG2 GLU 76 1HG GLU 76 10.193 -16.212 10.736 539 HG3 GLU 76 2HG GLU 76 11.324 -15.116 9.945 540 H GLU 77 H GLU 77 7.837 -15.937 8.593 541 HA GLU 77 HA GLU 77 9.638 -17.675 7.386 542 HB2 GLU 77 1HB GLU 77 7.240 -17.888 8.532 543 HB3 GLU 77 2HB GLU 77 6.649 -17.800 6.863 544 HG2 GLU 77 1HG GLU 77 7.714 -19.829 6.301 545 HG3 GLU 77 2HG GLU 77 8.926 -19.642 7.583 546 H ALA 78 H ALA 78 8.362 -14.873 5.960 547 HA ALA 78 HA ALA 78 9.112 -15.860 3.256 548 HB1 ALA 78 1HB ALA 78 7.674 -14.265 2.261 549 HB2 ALA 78 2HB ALA 78 6.721 -15.230 3.394 550 HB3 ALA 78 3HB ALA 78 7.235 -13.563 3.826 551 H LEU 79 H LEU 79 10.170 -13.951 5.897 552 HA LEU 79 HA LEU 79 10.794 -11.501 4.743 553 HB2 LEU 79 1HB LEU 79 10.821 -11.960 7.120 554 HB3 LEU 79 2HB LEU 79 12.235 -13.009 6.945 555 HG LEU 79 HG LEU 79 13.573 -11.015 6.201 556 HD11 LEU 79 1HD1 LEU 79 12.621 -8.748 6.645 557 HD12 LEU 79 2HD1 LEU 79 11.027 -9.483 6.921 558 HD13 LEU 79 3HD1 LEU 79 11.804 -9.574 5.320 559 HD21 LEU 79 3HD2 LEU 79 13.567 -11.758 8.541 560 HD22 LEU 79 1HD2 LEU 79 12.126 -10.774 8.875 561 HD23 LEU 79 2HD2 LEU 79 13.673 -9.994 8.462 562 H ASP 80 H ASP 80 13.160 -14.164 5.229 563 HA ASP 80 HA ASP 80 15.099 -12.931 3.538 564 HB2 ASP 80 1HB ASP 80 15.249 -14.809 5.395 565 HB3 ASP 80 2HB ASP 80 15.145 -15.891 4.031 566 H ARG 81 H ARG 81 12.406 -14.828 2.884 567 HA ARG 81 HA ARG 81 12.952 -15.894 0.255 568 HB2 ARG 81 1HB ARG 81 10.995 -16.271 2.145 569 HB3 ARG 81 2HB ARG 81 10.152 -15.167 1.038 570 HG2 ARG 81 1HG ARG 81 10.613 -16.683 -0.814 571 HG3 ARG 81 2HG ARG 81 11.380 -17.827 0.314 572 HD2 ARG 81 1HD ARG 81 9.161 -17.704 1.662 573 HD3 ARG 81 2HD ARG 81 8.468 -16.925 0.223 574 HE ARG 81 HE ARG 81 9.764 -19.251 -0.624 575 HH11 ARG 81 1HH1 ARG 81 6.997 -18.592 1.605 576 HH12 ARG 81 2HH1 ARG 81 6.295 -20.133 1.328 577 HH21 ARG 81 1HH2 ARG 81 8.789 -21.252 -0.935 578 HH22 ARG 81 2HH2 ARG 81 7.413 -21.727 0.017 579 H TYR 82 H TYR 82 11.340 -12.868 1.477 580 HA TYR 82 HA TYR 82 11.123 -11.663 -1.134 581 HB2 TYR 82 1HB TYR 82 11.149 -10.530 1.698 582 HB3 TYR 82 2HB TYR 82 11.175 -9.494 0.291 583 HD1 TYR 82 1HD TYR 82 9.262 -9.397 -1.300 584 HD2 TYR 82 2HD TYR 82 9.048 -11.548 2.422 585 HE1 TYR 82 1HE TYR 82 6.788 -9.518 -1.493 586 HE2 TYR 82 2HE TYR 82 6.603 -11.801 2.150 587 HH TYR 82 HH TYR 82 5.067 -11.128 -0.859 588 H ARG 83 H ARG 83 13.632 -11.425 1.500 589 HA ARG 83 HA ARG 83 15.290 -9.581 0.216 590 HB2 ARG 83 1HB ARG 83 16.127 -11.884 2.028 591 HB3 ARG 83 2HB ARG 83 17.214 -10.662 1.435 592 HG2 ARG 83 1HG ARG 83 15.363 -8.981 2.461 593 HG3 ARG 83 2HG ARG 83 15.035 -10.388 3.487 594 HD2 ARG 83 1HD ARG 83 16.699 -9.015 4.595 595 HD3 ARG 83 2HD ARG 83 17.503 -10.489 4.025 596 HE ARG 83 HE ARG 83 17.591 -8.349 2.092 597 HH11 ARG 83 1HH1 ARG 83 19.202 -9.426 5.085 598 HH12 ARG 83 2HH1 ARG 83 20.646 -8.522 4.784 599 HH21 ARG 83 1HH2 ARG 83 19.659 -7.377 1.568 600 HH22 ARG 83 2HH2 ARG 83 20.844 -7.274 2.821 601 H ARG 84 H ARG 84 15.217 -13.099 -0.498 602 HA ARG 84 HA ARG 84 17.640 -12.877 -2.085 603 HB2 ARG 84 1HB ARG 84 17.415 -15.180 -2.535 604 HB3 ARG 84 2HB ARG 84 17.072 -14.857 -0.844 605 HG2 ARG 84 1HG ARG 84 14.615 -14.962 -1.380 606 HG3 ARG 84 2HG ARG 84 15.040 -15.448 -3.029 607 HD2 ARG 84 1HD ARG 84 16.524 -17.219 -1.537 608 HD3 ARG 84 2HD ARG 84 15.171 -16.955 -0.448 609 HE ARG 84 HE ARG 84 13.641 -17.626 -2.275 610 HH11 ARG 84 1HH1 ARG 84 17.069 -18.588 -2.730 611 HH12 ARG 84 2HH1 ARG 84 16.625 -20.165 -3.297 612 HH21 ARG 84 1HH2 ARG 84 13.160 -19.482 -3.376 613 HH22 ARG 84 2HH2 ARG 84 14.394 -20.538 -4.003 614 H ASP 85 H ASP 85 14.691 -11.579 -2.903 615 HA ASP 85 HA ASP 85 14.397 -12.564 -5.564 616 HB2 ASP 85 1HB ASP 85 12.646 -11.265 -4.207 617 HB3 ASP 85 2HB ASP 85 13.618 -9.827 -4.516 618 H TYR 86 H TYR 86 14.582 -11.145 -7.471 619 HA TYR 86 HA TYR 86 17.275 -10.082 -7.823 620 HB2 TYR 86 1HB TYR 86 15.946 -11.315 -9.504 621 HB3 TYR 86 2HB TYR 86 14.763 -10.019 -9.551 622 HD1 TYR 86 1HD TYR 86 15.533 -7.657 -10.348 623 HD2 TYR 86 2HD TYR 86 17.911 -11.233 -10.824 624 HE1 TYR 86 1HE TYR 86 16.727 -6.607 -12.230 625 HE2 TYR 86 2HE TYR 86 19.108 -10.199 -12.686 626 HH TYR 86 HH TYR 86 19.172 -8.388 -14.176 627 H PHE 87 H PHE 87 13.915 -8.762 -7.481 628 HA PHE 87 HA PHE 87 14.950 -6.052 -8.005 629 HB2 PHE 87 1HB PHE 87 13.190 -7.043 -9.438 630 HB3 PHE 87 2HB PHE 87 12.174 -7.254 -8.025 631 HD1 PHE 87 2HD PHE 87 11.201 -5.211 -6.824 632 HD2 PHE 87 1HD PHE 87 13.277 -4.940 -10.612 633 HE1 PHE 87 2HE PHE 87 10.240 -2.958 -7.217 634 HE2 PHE 87 1HE PHE 87 12.296 -2.702 -10.974 635 HZ PHE 87 HZ PHE 87 10.780 -1.709 -9.278 636 H TRP 88 H TRP 88 12.787 -7.782 -5.656 637 HA TRP 88 HA TRP 88 12.195 -5.515 -4.067 638 HB2 TRP 88 1HB TRP 88 12.349 -8.455 -3.364 639 HB3 TRP 88 2HB TRP 88 11.996 -7.239 -2.160 640 HD1 TRP 88 HD TRP 88 10.454 -8.745 -5.337 641 HE1 TRP 88 1HE TRP 88 7.916 -8.193 -5.372 642 HE3 TRP 88 3HE TRP 88 10.198 -5.561 -1.338 643 HZ2 TRP 88 2HZ TRP 88 6.082 -6.698 -3.887 644 HZ3 TRP 88 3HZ TRP 88 7.992 -4.600 -0.655 645 HH2 TRP 88 HH TRP 88 5.928 -5.179 -1.906 646 H GLN 89 H GLN 89 15.166 -7.407 -4.086 647 HA GLN 89 HA GLN 89 16.569 -6.640 -1.996 648 HB2 GLN 89 1HB GLN 89 17.247 -6.906 -4.916 649 HB3 GLN 89 2HB GLN 89 18.432 -6.068 -3.928 650 HG2 GLN 89 1HG GLN 89 18.426 -7.955 -2.329 651 HG3 GLN 89 2HG GLN 89 17.480 -8.895 -3.489 652 HE21 GLN 89 1HE2 GLN 89 18.439 -8.925 -5.815 653 HE22 GLN 89 2HE2 GLN 89 20.180 -9.013 -5.955 654 H THR 90 H THR 90 16.010 -4.356 -4.689 655 HA THR 90 HA THR 90 17.638 -2.349 -3.514 656 HB THR 90 HB THR 90 16.849 -2.536 -5.908 657 HG1 THR 90 1HG THR 90 16.598 -0.087 -5.899 658 HG21 THR 90 3HG2 THR 90 14.454 -0.934 -4.951 659 HG22 THR 90 1HG2 THR 90 14.384 -2.676 -5.280 660 HG23 THR 90 2HG2 THR 90 14.789 -1.550 -6.586 661 H TYR 91 H TYR 91 14.375 -3.368 -2.718 662 HA TYR 91 HA TYR 91 13.845 -1.009 -1.040 663 HB2 TYR 91 1HB TYR 91 12.149 -3.298 -2.079 664 HB3 TYR 91 2HB TYR 91 11.606 -2.266 -0.765 665 HD1 TYR 91 2HD TYR 91 11.373 0.185 -1.027 666 HD2 TYR 91 1HD TYR 91 12.153 -2.406 -4.401 667 HE1 TYR 91 2HE TYR 91 10.747 2.003 -2.572 668 HE2 TYR 91 1HE TYR 91 11.535 -0.569 -5.955 669 HH TYR 91 HH TYR 91 10.755 1.664 -6.123 670 H ALA 92 H ALA 92 15.855 -3.484 -0.456 671 HA ALA 92 HA ALA 92 14.632 -4.936 1.673 672 HB1 ALA 92 1HB ALA 92 16.393 -5.924 0.360 673 HB2 ALA 92 2HB ALA 92 17.518 -4.609 0.789 674 HB3 ALA 92 3HB ALA 92 16.966 -5.754 2.024 675 H ALA 93 H ALA 93 15.739 -1.670 1.623 676 HA ALA 93 HA ALA 93 16.628 -1.690 4.361 677 HB1 ALA 93 1HB ALA 93 16.608 0.773 4.186 678 HB2 ALA 93 2HB ALA 93 17.490 0.037 2.845 679 HB3 ALA 93 3HB ALA 93 15.845 0.662 2.601 680 H TRP 94 H TRP 94 13.454 -1.690 2.863 681 HA TRP 94 HA TRP 94 12.256 -0.390 5.273 682 HB2 TRP 94 1HB TRP 94 11.195 -0.658 2.453 683 HB3 TRP 94 2HB TRP 94 10.323 0.033 3.808 684 HD1 TRP 94 HD TRP 94 10.718 2.551 4.393 685 HE1 TRP 94 1HE TRP 94 12.027 4.446 3.349 686 HE3 TRP 94 3HE TRP 94 13.386 -0.140 0.982 687 HZ2 TRP 94 2HZ TRP 94 14.273 4.718 1.501 688 HZ3 TRP 94 3HZ TRP 94 15.167 0.955 -0.391 689 HH2 TRP 94 HH TRP 94 15.700 3.344 -0.040 690 H ILE 95 H ILE 95 12.782 -3.498 4.132 691 HA ILE 95 HA ILE 95 10.076 -4.529 4.691 692 HB ILE 95 HB ILE 95 12.613 -5.971 3.851 693 HG12 ILE 95 1HG1 ILE 95 10.244 -5.234 2.059 694 HG13 ILE 95 2HG1 ILE 95 11.717 -4.287 2.129 695 HG21 ILE 95 1HG2 ILE 95 11.110 -7.842 3.281 696 HG22 ILE 95 2HG2 ILE 95 10.892 -7.404 4.972 697 HG23 ILE 95 3HG2 ILE 95 9.697 -6.884 3.770 698 HD11 ILE 95 3HD1 ILE 95 13.022 -6.365 1.497 699 HD12 ILE 95 1HD1 ILE 95 11.459 -7.115 1.109 700 HD13 ILE 95 2HD1 ILE 95 11.986 -5.650 0.252 701 H GLN 96 H GLN 96 9.545 -5.518 6.623 702 HA GLN 96 HA GLN 96 11.686 -6.410 8.410 703 HB2 GLN 96 1HB GLN 96 10.411 -5.344 10.364 704 HB3 GLN 96 2HB GLN 96 11.482 -4.329 9.419 705 HG2 GLN 96 1HG GLN 96 9.717 -3.085 8.550 706 HG3 GLN 96 2HG GLN 96 8.535 -4.377 8.751 707 HE21 GLN 96 1HE2 GLN 96 10.831 -3.010 11.251 708 HE22 GLN 96 2HE2 GLN 96 9.552 -2.840 12.399 709 HA PRO 97 HA PRO 97 8.783 -9.658 9.205 710 HB2 PRO 97 1HB PRO 97 9.183 -10.264 11.871 711 HB3 PRO 97 2HB PRO 97 10.294 -10.722 10.545 712 HG2 PRO 97 1HG PRO 97 10.478 -8.351 12.412 713 HG3 PRO 97 2HG PRO 97 11.780 -9.488 11.937 714 HD2 PRO 97 1HD PRO 97 11.506 -7.058 10.754 715 HD3 PRO 97 2HD PRO 97 11.985 -8.480 9.797 716 H MET 98 H MET 98 6.870 -10.229 10.468 717 HA MET 98 HA MET 98 5.187 -7.928 11.213 718 HB2 MET 98 1HB MET 98 4.671 -10.910 10.782 719 HB3 MET 98 2HB MET 98 3.427 -9.825 11.365 720 HG2 MET 98 1HG MET 98 4.442 -8.460 9.220 721 HG3 MET 98 2HG MET 98 4.442 -10.149 8.692 722 HE1 MET 98 3HE MET 98 3.001 -8.889 6.732 723 HE2 MET 98 1HE MET 98 2.682 -10.614 7.039 724 HE3 MET 98 2HE MET 98 1.334 -9.488 6.768 725 H GLU 99 H GLU 99 3.545 -8.820 12.919 726 HA GLU 99 HA GLU 99 4.677 -10.121 15.272 727 HB2 GLU 99 1HB GLU 99 3.836 -7.244 15.191 728 HB3 GLU 99 2HB GLU 99 3.080 -8.131 16.482 729 HG2 GLU 99 1HG GLU 99 6.045 -8.236 15.961 730 HG3 GLU 99 2HG GLU 99 5.296 -7.045 17.030 731 H GLN 100 H GLN 100 2.722 -10.256 16.853 732 HA GLN 100 HA GLN 100 0.124 -10.712 15.456 733 HB2 GLN 100 1HB GLN 100 1.598 -12.671 17.255 734 HB3 GLN 100 2HB GLN 100 -0.166 -12.695 17.149 735 HG2 GLN 100 1HG GLN 100 -0.165 -13.206 14.835 736 HG3 GLN 100 2HG GLN 100 1.518 -12.697 14.650 737 HE21 GLN 100 1HE2 GLN 100 -0.466 -15.392 16.056 738 HE22 GLN 100 2HE2 GLN 100 0.864 -16.523 15.915 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -9.275 8.014 -10.161 2 HA2 GLY 1 1HA GLY 1 -11.673 7.602 -10.005 3 HA3 GLY 1 2HA GLY 1 -11.419 7.193 -8.300 4 H SER 2 H SER 2 -13.327 9.130 -9.009 5 HA SER 2 HA SER 2 -12.200 11.567 -7.815 6 HB2 SER 2 1HB SER 2 -13.550 12.867 -9.600 7 HB3 SER 2 2HB SER 2 -11.985 12.181 -10.050 8 HG SER 2 HG SER 2 -14.566 11.356 -10.791 9 H HIS 3 H HIS 3 -13.612 12.642 -6.567 10 HA HIS 3 HA HIS 3 -15.118 12.738 -4.921 11 HB2 HIS 3 1HB HIS 3 -17.157 12.020 -7.032 12 HB3 HIS 3 2HB HIS 3 -17.507 12.693 -5.455 13 HD1 HIS 3 1HD HIS 3 -16.704 15.352 -5.085 14 HD2 HIS 3 2HD HIS 3 -16.997 13.713 -8.966 15 HE1 HIS 3 1HE HIS 3 -16.856 17.316 -6.684 16 H GLU 4 H GLU 4 -13.701 10.405 -4.781 17 HA GLU 4 HA GLU 4 -15.700 8.702 -3.486 18 HB2 GLU 4 1HB GLU 4 -14.934 7.991 -6.104 19 HB3 GLU 4 2HB GLU 4 -13.834 7.063 -5.071 20 HG2 GLU 4 1HG GLU 4 -15.958 6.428 -3.757 21 HG3 GLU 4 2HG GLU 4 -16.851 6.975 -5.180 22 H GLY 5 H GLY 5 -14.742 7.375 -1.805 23 HA2 GLY 5 1HA GLY 5 -11.871 7.880 -1.214 24 HA3 GLY 5 2HA GLY 5 -13.128 8.502 -0.134 25 H GLU 6 H GLU 6 -12.159 5.522 -1.799 26 HA GLU 6 HA GLU 6 -12.439 3.919 0.700 27 HB2 GLU 6 1HB GLU 6 -13.599 3.611 -1.908 28 HB3 GLU 6 2HB GLU 6 -12.958 2.089 -1.274 29 HG2 GLU 6 1HG GLU 6 -14.943 3.824 0.252 30 HG3 GLU 6 2HG GLU 6 -15.416 2.494 -0.813 31 HA PRO 7 HA PRO 7 -8.255 4.063 -1.330 32 HB2 PRO 7 1HB PRO 7 -6.820 4.939 0.835 33 HB3 PRO 7 2HB PRO 7 -7.880 6.059 -0.069 34 HG2 PRO 7 1HG PRO 7 -8.470 4.584 2.504 35 HG3 PRO 7 2HG PRO 7 -8.853 6.280 2.097 36 HD2 PRO 7 1HD PRO 7 -10.621 4.161 1.960 37 HD3 PRO 7 2HD PRO 7 -10.837 5.575 0.896 38 H VAL 8 H VAL 8 -9.136 1.726 -1.213 39 HA VAL 8 HA VAL 8 -7.686 0.053 0.782 40 HB VAL 8 HB VAL 8 -10.615 -0.119 -0.038 41 HG11 VAL 8 1HG1 VAL 8 -10.632 -1.843 1.835 42 HG12 VAL 8 2HG1 VAL 8 -9.833 -2.357 0.353 43 HG13 VAL 8 3HG1 VAL 8 -8.867 -1.853 1.763 44 HG21 VAL 8 3HG2 VAL 8 -10.315 1.715 1.551 45 HG22 VAL 8 1HG2 VAL 8 -11.055 0.355 2.375 46 HG23 VAL 8 2HG2 VAL 8 -9.312 0.688 2.599 47 H VAL 9 H VAL 9 -6.977 -1.905 0.056 48 HA VAL 9 HA VAL 9 -6.660 -2.190 -2.823 49 HB VAL 9 HB VAL 9 -5.647 -3.938 -0.532 50 HG11 VAL 9 1HG1 VAL 9 -4.668 -3.743 -3.406 51 HG12 VAL 9 2HG1 VAL 9 -4.128 -4.872 -2.128 52 HG13 VAL 9 3HG1 VAL 9 -5.722 -5.040 -2.806 53 HG21 VAL 9 3HG2 VAL 9 -4.754 -1.662 -0.346 54 HG22 VAL 9 1HG2 VAL 9 -3.550 -2.852 -0.771 55 HG23 VAL 9 2HG2 VAL 9 -4.168 -1.762 -2.030 56 H GLY 10 H GLY 10 -8.949 -2.282 -3.214 57 HA2 GLY 10 1HA GLY 10 -10.068 -5.042 -3.019 58 HA3 GLY 10 2HA GLY 10 -11.027 -3.596 -2.648 59 H MET 11 H MET 11 -9.013 -5.062 -5.164 60 HA MET 11 HA MET 11 -9.035 -5.141 -7.394 61 HB2 MET 11 1HB MET 11 -12.017 -4.992 -6.891 62 HB3 MET 11 2HB MET 11 -11.315 -5.336 -8.471 63 HG2 MET 11 1HG MET 11 -11.183 -7.453 -7.957 64 HG3 MET 11 2HG MET 11 -9.935 -7.077 -6.781 65 HE1 MET 11 3HE MET 11 -11.388 -9.183 -4.141 66 HE2 MET 11 1HE MET 11 -10.268 -9.123 -5.519 67 HE3 MET 11 2HE MET 11 -10.205 -7.878 -4.255 68 H ASP 12 H ASP 12 -9.261 -2.136 -6.162 69 HA ASP 12 HA ASP 12 -8.680 -1.257 -8.872 70 HB2 ASP 12 1HB ASP 12 -10.934 -0.245 -8.359 71 HB3 ASP 12 2HB ASP 12 -10.165 0.610 -7.003 72 H LYS 13 H LYS 13 -7.126 0.521 -8.852 73 HA LYS 13 HA LYS 13 -5.598 0.877 -6.364 74 HB2 LYS 13 1HB LYS 13 -4.556 -0.457 -8.864 75 HB3 LYS 13 2HB LYS 13 -3.488 0.373 -7.724 76 HG2 LYS 13 1HG LYS 13 -4.788 -1.068 -5.916 77 HG3 LYS 13 2HG LYS 13 -5.106 -2.153 -7.286 78 HD2 LYS 13 1HD LYS 13 -2.855 -2.625 -7.597 79 HD3 LYS 13 2HD LYS 13 -2.291 -1.189 -6.731 80 HE2 LYS 13 1HE LYS 13 -2.976 -2.067 -4.600 81 HE3 LYS 13 2HE LYS 13 -3.778 -3.450 -5.374 82 HZ1 LYS 13 3HZ LYS 13 -1.718 -4.253 -6.124 83 HZ2 LYS 13 1HZ LYS 13 -1.598 -4.075 -4.541 84 HZ3 LYS 13 2HZ LYS 13 -0.866 -2.970 -5.546 85 H SER 14 H SER 14 -7.361 2.686 -7.943 86 HA SER 14 HA SER 14 -5.351 4.844 -8.130 87 HB2 SER 14 1HB SER 14 -6.207 3.834 -10.358 88 HB3 SER 14 2HB SER 14 -7.724 4.659 -10.002 89 HG SER 14 HG SER 14 -6.066 5.780 -11.298 90 H LEU 15 H LEU 15 -7.049 3.935 -5.918 91 HA LEU 15 HA LEU 15 -8.870 6.270 -5.505 92 HB2 LEU 15 1HB LEU 15 -8.895 3.476 -4.297 93 HB3 LEU 15 2HB LEU 15 -9.992 4.767 -3.827 94 HG LEU 15 HG LEU 15 -9.854 3.634 -6.634 95 HD11 LEU 15 1HD1 LEU 15 -11.862 2.379 -6.100 96 HD12 LEU 15 2HD1 LEU 15 -11.864 3.008 -4.434 97 HD13 LEU 15 3HD1 LEU 15 -10.572 1.924 -4.990 98 HD21 LEU 15 3HD2 LEU 15 -12.061 4.726 -6.902 99 HD22 LEU 15 1HD2 LEU 15 -10.782 5.897 -6.583 100 HD23 LEU 15 2HD2 LEU 15 -11.910 5.431 -5.282 101 H PHE 16 H PHE 16 -5.760 5.574 -4.771 102 HA PHE 16 HA PHE 16 -5.987 5.446 -1.832 103 HB2 PHE 16 1HB PHE 16 -3.673 5.024 -3.772 104 HB3 PHE 16 2HB PHE 16 -3.490 5.046 -2.053 105 HD1 PHE 16 2HD PHE 16 -5.470 3.351 -4.768 106 HD2 PHE 16 1HD PHE 16 -3.829 3.106 -0.801 107 HE1 PHE 16 2HE PHE 16 -6.391 1.043 -4.503 108 HE2 PHE 16 1HE PHE 16 -4.580 0.714 -0.643 109 HZ PHE 16 HZ PHE 16 -5.854 -0.267 -2.530 110 H ALA 17 H ALA 17 -4.623 7.517 -4.379 111 HA ALA 17 HA ALA 17 -3.534 9.479 -2.533 112 HB1 ALA 17 1HB ALA 17 -2.529 9.205 -4.716 113 HB2 ALA 17 2HB ALA 17 -4.075 9.521 -5.540 114 HB3 ALA 17 3HB ALA 17 -3.263 10.817 -4.641 115 H GLY 18 H GLY 18 -5.314 9.792 -1.164 116 HA2 GLY 18 1HA GLY 18 -6.471 12.299 -1.756 117 HA3 GLY 18 2HA GLY 18 -7.763 11.078 -1.790 118 H ASN 19 H ASN 19 -6.807 9.297 0.190 119 HA ASN 19 HA ASN 19 -7.793 10.831 2.442 120 HB2 ASN 19 1HB ASN 19 -8.530 8.546 1.681 121 HB3 ASN 19 2HB ASN 19 -7.117 7.890 2.517 122 HD21 ASN 19 1HD2 ASN 19 -7.746 7.195 4.643 123 HD22 ASN 19 2HD2 ASN 19 -8.927 7.986 5.597 124 H THR 20 H THR 20 -6.262 12.187 3.135 125 HA THR 20 HA THR 20 -3.528 11.659 3.584 126 HB THR 20 HB THR 20 -3.733 13.998 4.656 127 HG1 THR 20 1HG THR 20 -5.881 13.862 5.291 128 HG21 THR 20 3HG2 THR 20 -4.232 15.095 2.517 129 HG22 THR 20 1HG2 THR 20 -4.900 13.591 1.867 130 HG23 THR 20 2HG2 THR 20 -3.176 13.691 2.279 131 H VAL 21 H VAL 21 -5.042 9.743 5.208 132 HA VAL 21 HA VAL 21 -3.700 10.230 7.781 133 HB VAL 21 HB VAL 21 -5.977 11.303 7.843 134 HG11 VAL 21 1HG1 VAL 21 -7.939 9.985 8.153 135 HG12 VAL 21 2HG1 VAL 21 -7.176 9.489 6.624 136 HG13 VAL 21 3HG1 VAL 21 -7.019 8.471 8.067 137 HG21 VAL 21 3HG2 VAL 21 -6.466 10.666 10.114 138 HG22 VAL 21 1HG2 VAL 21 -5.419 9.250 9.988 139 HG23 VAL 21 2HG2 VAL 21 -4.725 10.880 9.866 140 H ILE 22 H ILE 22 -4.283 8.153 5.279 141 HA ILE 22 HA ILE 22 -4.884 5.739 6.670 142 HB ILE 22 HB ILE 22 -5.528 6.088 4.437 143 HG12 ILE 22 1HG1 ILE 22 -3.513 3.831 4.504 144 HG13 ILE 22 2HG1 ILE 22 -5.030 3.827 5.424 145 HG21 ILE 22 1HG2 ILE 22 -3.035 7.164 3.834 146 HG22 ILE 22 2HG2 ILE 22 -3.018 5.629 3.003 147 HG23 ILE 22 3HG2 ILE 22 -4.331 6.797 2.698 148 HD11 ILE 22 3HD1 ILE 22 -6.268 4.131 3.288 149 HD12 ILE 22 1HD1 ILE 22 -4.731 3.927 2.410 150 HD13 ILE 22 2HD1 ILE 22 -5.366 2.609 3.423 151 H ARG 23 H ARG 23 -3.435 5.670 8.296 152 HA ARG 23 HA ARG 23 -0.544 5.682 7.807 153 HB2 ARG 23 1HB ARG 23 -2.165 5.254 10.322 154 HB3 ARG 23 2HB ARG 23 -0.405 5.126 10.305 155 HG2 ARG 23 1HG ARG 23 -0.157 7.410 9.443 156 HG3 ARG 23 2HG ARG 23 -1.909 7.615 9.381 157 HD2 ARG 23 1HD ARG 23 -0.222 7.187 11.870 158 HD3 ARG 23 2HD ARG 23 -0.977 8.708 11.365 159 HE ARG 23 HE ARG 23 -3.148 7.218 11.449 160 HH11 ARG 23 1HH1 ARG 23 -0.722 7.590 13.986 161 HH12 ARG 23 2HH1 ARG 23 -1.544 6.616 15.148 162 HH21 ARG 23 1HH2 ARG 23 -4.325 6.051 12.952 163 HH22 ARG 23 2HH2 ARG 23 -3.697 5.702 14.536 164 H GLU 24 H GLU 24 -2.597 3.326 6.936 165 HA GLU 24 HA GLU 24 -0.632 1.184 7.183 166 HB2 GLU 24 1HB GLU 24 -3.185 1.344 8.743 167 HB3 GLU 24 2HB GLU 24 -2.927 -0.168 7.908 168 HG2 GLU 24 1HG GLU 24 -1.045 -0.739 9.136 169 HG3 GLU 24 2HG GLU 24 -0.745 0.907 9.670 170 H ILE 25 H ILE 25 -0.799 -0.071 5.346 171 HA ILE 25 HA ILE 25 -3.403 -0.342 3.986 172 HB ILE 25 HB ILE 25 -0.719 0.188 2.629 173 HG12 ILE 25 1HG1 ILE 25 -3.282 1.844 2.676 174 HG13 ILE 25 2HG1 ILE 25 -1.780 2.231 3.445 175 HG21 ILE 25 1HG2 ILE 25 -1.856 -0.139 0.502 176 HG22 ILE 25 2HG2 ILE 25 -2.140 -1.566 1.489 177 HG23 ILE 25 3HG2 ILE 25 -3.422 -0.355 1.322 178 HD11 ILE 25 3HD1 ILE 25 -2.245 2.089 0.450 179 HD12 ILE 25 1HD1 ILE 25 -2.011 3.544 1.431 180 HD13 ILE 25 2HD1 ILE 25 -0.678 2.396 1.221 181 H THR 26 H THR 26 -3.822 -2.549 4.021 182 HA THR 26 HA THR 26 -1.529 -4.416 4.159 183 HB THR 26 HB THR 26 -4.500 -4.820 4.704 184 HG1 THR 26 1HG THR 26 -3.495 -3.666 6.385 185 HG21 THR 26 3HG2 THR 26 -2.088 -6.660 5.021 186 HG22 THR 26 1HG2 THR 26 -3.443 -6.877 3.883 187 HG23 THR 26 2HG2 THR 26 -3.718 -7.003 5.623 188 H VAL 27 H VAL 27 -0.969 -5.314 2.208 189 HA VAL 27 HA VAL 27 -2.946 -5.346 -0.021 190 HB VAL 27 HB VAL 27 0.036 -5.543 -0.416 191 HG11 VAL 27 1HG1 VAL 27 -1.632 -5.997 -2.294 192 HG12 VAL 27 2HG1 VAL 27 -2.067 -4.276 -2.191 193 HG13 VAL 27 3HG1 VAL 27 -0.407 -4.765 -2.613 194 HG21 VAL 27 3HG2 VAL 27 0.081 -3.104 -0.889 195 HG22 VAL 27 1HG2 VAL 27 -1.533 -2.964 -0.159 196 HG23 VAL 27 2HG2 VAL 27 -0.149 -3.480 0.824 197 H GLN 28 H GLN 28 -3.825 -7.304 -0.169 198 HA GLN 28 HA GLN 28 -2.513 -9.788 0.506 199 HB2 GLN 28 1HB GLN 28 -4.981 -8.994 -1.093 200 HB3 GLN 28 2HB GLN 28 -4.521 -10.677 -0.828 201 HG2 GLN 28 1HG GLN 28 -4.762 -10.526 1.521 202 HG3 GLN 28 2HG GLN 28 -4.826 -8.765 1.519 203 HE21 GLN 28 1HE2 GLN 28 -6.875 -7.842 1.626 204 HE22 GLN 28 2HE2 GLN 28 -8.330 -8.770 1.369 205 HA PRO 29 HA PRO 29 -0.189 -10.500 -3.179 206 HB2 PRO 29 1HB PRO 29 -0.614 -13.178 -3.741 207 HB3 PRO 29 2HB PRO 29 0.440 -12.583 -2.424 208 HG2 PRO 29 1HG PRO 29 -2.420 -13.535 -2.266 209 HG3 PRO 29 2HG PRO 29 -1.064 -13.896 -1.144 210 HD2 PRO 29 1HD PRO 29 -2.908 -12.040 -0.544 211 HD3 PRO 29 2HD PRO 29 -1.188 -11.822 -0.119 212 H ASN 30 H ASN 30 -0.321 -10.748 -5.402 213 HA ASN 30 HA ASN 30 -1.253 -10.314 -7.421 214 HB2 ASN 30 1HB ASN 30 -2.663 -12.845 -6.594 215 HB3 ASN 30 2HB ASN 30 -2.517 -12.253 -8.249 216 HD21 ASN 30 1HD2 ASN 30 -1.184 -14.440 -6.199 217 HD22 ASN 30 2HD2 ASN 30 0.391 -14.602 -6.938 218 H ILE 31 H ILE 31 -2.398 -8.472 -5.960 219 HA ILE 31 HA ILE 31 -5.092 -8.181 -7.158 220 HB ILE 31 HB ILE 31 -5.635 -8.902 -5.046 221 HG12 ILE 31 1HG1 ILE 31 -6.028 -5.888 -4.960 222 HG13 ILE 31 2HG1 ILE 31 -6.747 -6.872 -6.243 223 HG21 ILE 31 1HG2 ILE 31 -3.785 -6.770 -3.969 224 HG22 ILE 31 2HG2 ILE 31 -4.946 -7.688 -2.978 225 HG23 ILE 31 3HG2 ILE 31 -3.645 -8.523 -3.838 226 HD11 ILE 31 3HD1 ILE 31 -7.840 -8.300 -4.632 227 HD12 ILE 31 1HD1 ILE 31 -7.185 -7.344 -3.276 228 HD13 ILE 31 2HD1 ILE 31 -8.327 -6.600 -4.410 229 H GLY 32 H GLY 32 -4.105 -7.141 -8.568 230 HA2 GLY 32 1HA GLY 32 -3.364 -5.484 -9.957 231 HA3 GLY 32 2HA GLY 32 -3.731 -4.351 -8.647 232 H LEU 33 H LEU 33 -1.517 -4.326 -10.621 233 HA LEU 33 HA LEU 33 0.900 -4.808 -9.134 234 HB2 LEU 33 1HB LEU 33 1.608 -4.950 -11.192 235 HB3 LEU 33 2HB LEU 33 0.300 -4.014 -11.832 236 HG LEU 33 HG LEU 33 2.710 -2.717 -10.446 237 HD11 LEU 33 1HD1 LEU 33 3.577 -3.750 -12.437 238 HD12 LEU 33 2HD1 LEU 33 3.476 -1.984 -12.538 239 HD13 LEU 33 3HD1 LEU 33 2.287 -2.989 -13.400 240 HD21 LEU 33 3HD2 LEU 33 1.257 -1.074 -12.205 241 HD22 LEU 33 1HD2 LEU 33 1.463 -1.082 -10.434 242 HD23 LEU 33 2HD2 LEU 33 0.088 -1.914 -11.151 243 H LEU 34 H LEU 34 2.396 -3.143 -8.403 244 HA LEU 34 HA LEU 34 1.092 -0.795 -7.133 245 HB2 LEU 34 1HB LEU 34 3.651 -2.341 -6.426 246 HB3 LEU 34 2HB LEU 34 3.125 -0.840 -5.687 247 HG LEU 34 HG LEU 34 1.178 -3.116 -5.626 248 HD11 LEU 34 1HD1 LEU 34 3.745 -3.185 -4.021 249 HD12 LEU 34 2HD1 LEU 34 3.115 -4.379 -5.156 250 HD13 LEU 34 3HD1 LEU 34 2.276 -4.121 -3.620 251 HD21 LEU 34 3HD2 LEU 34 0.693 -0.925 -4.574 252 HD22 LEU 34 1HD2 LEU 34 2.076 -1.158 -3.490 253 HD23 LEU 34 2HD2 LEU 34 0.688 -2.259 -3.390 254 H TYR 35 H TYR 35 1.701 1.046 -8.342 255 HA TYR 35 HA TYR 35 4.128 0.897 -10.036 256 HB2 TYR 35 1HB TYR 35 2.875 2.181 -11.645 257 HB3 TYR 35 2HB TYR 35 2.170 0.691 -11.372 258 HD1 TYR 35 2HD TYR 35 1.781 4.284 -10.479 259 HD2 TYR 35 1HD TYR 35 -0.197 0.470 -10.720 260 HE1 TYR 35 2HE TYR 35 -0.386 5.356 -9.915 261 HE2 TYR 35 1HE TYR 35 -2.360 1.560 -10.228 262 HH TYR 35 HH TYR 35 -3.272 3.594 -9.188 263 H ASP 36 H ASP 36 4.596 3.351 -10.840 264 HA ASP 36 HA ASP 36 5.645 4.651 -8.518 265 HB2 ASP 36 1HB ASP 36 6.468 6.343 -10.064 266 HB3 ASP 36 2HB ASP 36 6.862 4.716 -10.617 267 H GLY 37 H GLY 37 4.775 6.149 -7.269 268 HA2 GLY 37 1HA GLY 37 3.370 7.781 -6.473 269 HA3 GLY 37 2HA GLY 37 3.139 8.288 -8.153 270 H MET 38 H MET 38 2.339 5.238 -6.474 271 HA MET 38 HA MET 38 -0.470 5.205 -7.316 272 HB2 MET 38 1HB MET 38 1.439 3.341 -6.090 273 HB3 MET 38 2HB MET 38 0.034 3.500 -5.054 274 HG2 MET 38 1HG MET 38 -1.354 3.158 -7.242 275 HG3 MET 38 2HG MET 38 0.172 2.551 -7.896 276 HE1 MET 38 3HE MET 38 -2.978 1.875 -5.790 277 HE2 MET 38 1HE MET 38 -2.453 0.672 -4.585 278 HE3 MET 38 2HE MET 38 -1.851 2.337 -4.507 279 H PHE 39 H PHE 39 1.479 6.164 -4.527 280 HA PHE 39 HA PHE 39 -0.951 6.734 -2.903 281 HB2 PHE 39 1HB PHE 39 1.900 6.329 -1.973 282 HB3 PHE 39 2HB PHE 39 0.440 6.290 -1.002 283 HD1 PHE 39 1HD PHE 39 -1.317 4.417 -1.638 284 HD2 PHE 39 2HD PHE 39 2.888 4.240 -2.640 285 HE1 PHE 39 1HE PHE 39 -1.492 1.976 -2.011 286 HE2 PHE 39 2HE PHE 39 2.707 1.868 -3.059 287 HZ PHE 39 HZ PHE 39 0.509 0.683 -2.751 288 H SER 40 H SER 40 -0.005 8.639 -4.903 289 HA SER 40 HA SER 40 1.949 10.413 -3.928 290 HB2 SER 40 1HB SER 40 1.166 10.047 -6.310 291 HB3 SER 40 2HB SER 40 -0.282 10.993 -5.915 292 HG SER 40 HG SER 40 1.053 12.452 -6.682 293 H GLY 41 H GLY 41 1.755 11.521 -2.061 294 HA2 GLY 41 1HA GLY 41 1.002 13.433 -0.916 295 HA3 GLY 41 2HA GLY 41 -0.559 13.354 -1.722 296 H CYS 42 H CYS 42 0.461 10.258 -0.481 297 HA CYS 42 HA CYS 42 -1.369 10.469 1.807 298 HB2 CYS 42 1HB CYS 42 0.457 8.201 0.931 299 HB3 CYS 42 2HB CYS 42 -0.764 8.155 2.216 300 HG CYS 42 HG CYS 42 -2.013 6.952 0.383 301 H THR 43 H THR 43 -0.220 12.326 2.672 302 HA THR 43 HA THR 43 2.439 12.306 3.667 303 HB THR 43 HB THR 43 1.447 14.391 4.869 304 HG1 THR 43 1HG THR 43 -0.633 14.753 3.349 305 HG21 THR 43 3HG2 THR 43 2.669 14.447 2.696 306 HG22 THR 43 1HG2 THR 43 1.392 15.668 2.799 307 HG23 THR 43 2HG2 THR 43 1.134 14.191 1.844 308 H ALA 44 H ALA 44 -0.174 10.552 4.836 309 HA ALA 44 HA ALA 44 1.170 10.181 7.446 310 HB1 ALA 44 1HB ALA 44 -1.096 10.070 8.500 311 HB2 ALA 44 2HB ALA 44 -0.734 11.693 7.866 312 HB3 ALA 44 3HB ALA 44 -1.798 10.609 6.959 313 H LEU 45 H LEU 45 1.732 8.669 5.288 314 HA LEU 45 HA LEU 45 0.401 6.069 5.914 315 HB2 LEU 45 1HB LEU 45 -0.357 6.693 3.735 316 HB3 LEU 45 2HB LEU 45 1.263 7.232 3.263 317 HG LEU 45 HG LEU 45 2.072 4.875 3.322 318 HD11 LEU 45 1HD1 LEU 45 0.381 3.899 4.896 319 HD12 LEU 45 2HD1 LEU 45 0.458 3.035 3.360 320 HD13 LEU 45 3HD1 LEU 45 -0.873 4.168 3.666 321 HD21 LEU 45 3HD2 LEU 45 0.910 4.256 1.237 322 HD22 LEU 45 1HD2 LEU 45 1.374 5.957 1.255 323 HD23 LEU 45 2HD2 LEU 45 -0.320 5.490 1.542 324 H GLU 46 H GLU 46 1.892 4.978 7.108 325 HA GLU 46 HA GLU 46 4.731 5.088 6.242 326 HB2 GLU 46 1HB GLU 46 3.808 5.453 9.093 327 HB3 GLU 46 2HB GLU 46 5.479 5.405 8.502 328 HG2 GLU 46 1HG GLU 46 4.881 7.333 6.934 329 HG3 GLU 46 2HG GLU 46 3.395 7.528 7.881 330 H LYS 47 H LYS 47 2.311 2.960 6.380 331 HA LYS 47 HA LYS 47 4.231 0.806 6.881 332 HB2 LYS 47 1HB LYS 47 1.501 0.988 8.236 333 HB3 LYS 47 2HB LYS 47 2.265 -0.553 7.844 334 HG2 LYS 47 1HG LYS 47 4.360 0.368 9.076 335 HG3 LYS 47 2HG LYS 47 3.251 1.567 9.768 336 HD2 LYS 47 1HD LYS 47 1.899 -0.175 10.776 337 HD3 LYS 47 2HD LYS 47 2.706 -1.431 9.812 338 HE2 LYS 47 1HE LYS 47 3.399 -1.372 12.224 339 HE3 LYS 47 2HE LYS 47 4.719 -1.297 11.051 340 HZ1 LYS 47 3HZ LYS 47 4.934 1.045 11.448 341 HZ2 LYS 47 1HZ LYS 47 4.976 0.272 12.889 342 HZ3 LYS 47 2HZ LYS 47 3.644 1.098 12.439 343 H LEU 48 H LEU 48 3.801 -1.022 5.750 344 HA LEU 48 HA LEU 48 1.533 -1.166 3.897 345 HB2 LEU 48 1HB LEU 48 3.286 0.035 2.602 346 HB3 LEU 48 2HB LEU 48 4.434 -1.250 2.945 347 HG LEU 48 HG LEU 48 2.678 -2.860 1.816 348 HD11 LEU 48 1HD1 LEU 48 1.630 -0.125 1.060 349 HD12 LEU 48 2HD1 LEU 48 0.726 -1.469 1.782 350 HD13 LEU 48 3HD1 LEU 48 1.283 -1.539 0.093 351 HD21 LEU 48 3HD2 LEU 48 3.902 -0.778 -0.002 352 HD22 LEU 48 1HD2 LEU 48 3.436 -2.423 -0.423 353 HD23 LEU 48 2HD2 LEU 48 4.788 -2.170 0.692 354 H ILE 49 H ILE 49 0.784 -2.987 4.904 355 HA ILE 49 HA ILE 49 2.645 -5.161 5.631 356 HB ILE 49 HB ILE 49 -0.373 -5.022 6.049 357 HG12 ILE 49 1HG1 ILE 49 0.829 -4.819 8.563 358 HG13 ILE 49 2HG1 ILE 49 1.904 -3.846 7.569 359 HG21 ILE 49 1HG2 ILE 49 0.080 -6.838 7.711 360 HG22 ILE 49 2HG2 ILE 49 0.539 -7.343 6.094 361 HG23 ILE 49 3HG2 ILE 49 1.790 -6.852 7.258 362 HD11 ILE 49 3HD1 ILE 49 -1.098 -3.460 7.846 363 HD12 ILE 49 1HD1 ILE 49 0.186 -2.494 8.608 364 HD13 ILE 49 2HD1 ILE 49 -0.022 -2.451 6.845 365 H LEU 50 H LEU 50 2.679 -7.095 4.504 366 HA LEU 50 HA LEU 50 1.090 -7.289 1.989 367 HB2 LEU 50 1HB LEU 50 3.994 -8.025 2.463 368 HB3 LEU 50 2HB LEU 50 3.124 -8.220 0.944 369 HG LEU 50 HG LEU 50 3.765 -5.544 2.290 370 HD11 LEU 50 1HD1 LEU 50 5.033 -6.707 -0.217 371 HD12 LEU 50 2HD1 LEU 50 5.805 -6.605 1.383 372 HD13 LEU 50 3HD1 LEU 50 5.366 -5.142 0.521 373 HD21 LEU 50 3HD2 LEU 50 1.768 -5.339 0.948 374 HD22 LEU 50 1HD2 LEU 50 2.545 -6.176 -0.421 375 HD23 LEU 50 2HD2 LEU 50 3.105 -4.575 0.099 376 H THR 51 H THR 51 -0.202 -9.136 2.145 377 HA THR 51 HA THR 51 0.241 -10.835 4.455 378 HB THR 51 HB THR 51 -1.964 -11.481 4.291 379 HG1 THR 51 1HG THR 51 -2.212 -12.249 2.323 380 HG21 THR 51 3HG2 THR 51 -2.068 -8.757 2.916 381 HG22 THR 51 1HG2 THR 51 -1.832 -9.025 4.662 382 HG23 THR 51 2HG2 THR 51 -3.332 -9.522 3.866 383 H GLY 52 H GLY 52 1.461 -11.195 1.354 384 HA2 GLY 52 1HA GLY 52 0.657 -14.000 0.975 385 HA3 GLY 52 2HA GLY 52 1.453 -12.966 -0.189 386 H GLU 53 H GLU 53 2.174 -15.677 0.485 387 HA GLU 53 HA GLU 53 4.415 -15.599 2.305 388 HB2 GLU 53 1HB GLU 53 3.225 -17.760 0.572 389 HB3 GLU 53 2HB GLU 53 4.594 -18.012 1.653 390 HG2 GLU 53 1HG GLU 53 3.418 -17.917 3.568 391 HG3 GLU 53 2HG GLU 53 2.109 -16.962 2.869 392 H ASP 54 H ASP 54 4.305 -14.788 -1.162 393 HA ASP 54 HA ASP 54 7.143 -15.201 -1.272 394 HB2 ASP 54 1HB ASP 54 6.975 -16.517 -2.964 395 HB3 ASP 54 2HB ASP 54 5.450 -16.963 -2.309 396 HA PRO 55 HA PRO 55 6.967 -11.085 -2.674 397 HB2 PRO 55 1HB PRO 55 9.422 -10.791 -3.847 398 HB3 PRO 55 2HB PRO 55 9.192 -11.123 -2.111 399 HG2 PRO 55 1HG PRO 55 9.872 -13.085 -4.296 400 HG3 PRO 55 2HG PRO 55 10.651 -12.917 -2.704 401 HD2 PRO 55 1HD PRO 55 8.676 -14.753 -3.196 402 HD3 PRO 55 2HD PRO 55 8.887 -13.961 -1.610 403 H SER 56 H SER 56 7.302 -13.534 -5.072 404 HA SER 56 HA SER 56 7.281 -11.828 -7.454 405 HB2 SER 56 1HB SER 56 8.397 -14.105 -7.221 406 HB3 SER 56 2HB SER 56 6.778 -14.828 -7.210 407 HG SER 56 HG SER 56 6.538 -14.355 -9.272 408 H ALA 57 H ALA 57 4.969 -13.396 -5.359 409 HA ALA 57 HA ALA 57 2.607 -13.136 -6.889 410 HB1 ALA 57 1HB ALA 57 1.499 -13.435 -4.746 411 HB2 ALA 57 2HB ALA 57 2.955 -14.444 -4.737 412 HB3 ALA 57 3HB ALA 57 2.949 -12.927 -3.854 413 H TYR 58 H TYR 58 4.560 -10.556 -6.466 414 HA TYR 58 HA TYR 58 2.401 -8.575 -6.233 415 HB2 TYR 58 1HB TYR 58 4.893 -8.697 -4.480 416 HB3 TYR 58 2HB TYR 58 3.931 -7.255 -4.681 417 HD1 TYR 58 1HD TYR 58 3.762 -10.785 -3.434 418 HD2 TYR 58 2HD TYR 58 1.995 -6.844 -3.420 419 HE1 TYR 58 1HE TYR 58 2.415 -11.403 -1.474 420 HE2 TYR 58 2HE TYR 58 0.620 -7.470 -1.476 421 HH TYR 58 HH TYR 58 0.160 -9.036 0.068 422 H SER 59 H SER 59 3.598 -6.310 -6.506 423 HA SER 59 HA SER 59 5.452 -6.298 -8.806 424 HB2 SER 59 1HB SER 59 2.877 -4.747 -8.661 425 HB3 SER 59 2HB SER 59 3.886 -4.908 -10.070 426 HG SER 59 HG SER 59 3.276 -7.308 -9.815 427 H ALA 60 H ALA 60 5.365 -3.489 -9.202 428 HA ALA 60 HA ALA 60 5.546 -1.823 -6.999 429 HB1 ALA 60 1HB ALA 60 8.089 -1.799 -6.614 430 HB2 ALA 60 2HB ALA 60 7.159 -3.094 -5.850 431 HB3 ALA 60 3HB ALA 60 8.095 -3.410 -7.347 432 H GLY 61 H GLY 61 6.427 -2.671 -10.143 433 HA2 GLY 61 1HA GLY 61 6.779 -1.448 -12.047 434 HA3 GLY 61 2HA GLY 61 6.309 -0.020 -11.100 435 H ASP 62 H ASP 62 7.834 1.360 -10.449 436 HA ASP 62 HA ASP 62 10.701 0.570 -10.325 437 HB2 ASP 62 1HB ASP 62 10.200 1.596 -12.575 438 HB3 ASP 62 2HB ASP 62 9.716 3.072 -11.734 439 H GLY 63 H GLY 63 7.983 2.105 -8.956 440 HA2 GLY 63 1HA GLY 63 9.564 3.935 -7.220 441 HA3 GLY 63 2HA GLY 63 8.350 4.574 -8.324 442 H LEU 64 H LEU 64 8.267 1.554 -6.438 443 HA LEU 64 HA LEU 64 5.622 1.446 -5.846 444 HB2 LEU 64 1HB LEU 64 6.985 -0.391 -5.266 445 HB3 LEU 64 2HB LEU 64 8.067 0.586 -4.285 446 HG LEU 64 HG LEU 64 6.343 0.792 -2.511 447 HD11 LEU 64 1HD1 LEU 64 4.302 0.522 -3.941 448 HD12 LEU 64 2HD1 LEU 64 4.334 -0.612 -2.579 449 HD13 LEU 64 3HD1 LEU 64 4.775 -1.167 -4.214 450 HD21 LEU 64 3HD2 LEU 64 7.993 -1.001 -2.408 451 HD22 LEU 64 1HD2 LEU 64 6.958 -2.035 -3.407 452 HD23 LEU 64 2HD2 LEU 64 6.435 -1.557 -1.773 453 H ARG 65 H ARG 65 8.014 2.986 -3.682 454 HA ARG 65 HA ARG 65 5.767 4.093 -2.102 455 HB2 ARG 65 1HB ARG 65 7.481 4.481 -0.329 456 HB3 ARG 65 2HB ARG 65 7.132 2.822 -0.752 457 HG2 ARG 65 1HG ARG 65 9.258 2.362 -1.249 458 HG3 ARG 65 2HG ARG 65 9.414 3.741 -2.328 459 HD2 ARG 65 1HD ARG 65 9.804 3.778 0.694 460 HD3 ARG 65 2HD ARG 65 11.087 3.804 -0.510 461 HE ARG 65 HE ARG 65 9.794 6.016 0.544 462 HH11 ARG 65 1HH1 ARG 65 11.389 4.969 -2.385 463 HH12 ARG 65 2HH1 ARG 65 11.323 6.498 -3.177 464 HH21 ARG 65 1HH2 ARG 65 9.022 7.826 -0.782 465 HH22 ARG 65 2HH2 ARG 65 9.932 8.244 -2.171 466 H ASP 66 H ASP 66 7.043 5.194 -4.769 467 HA ASP 66 HA ASP 66 8.149 7.726 -3.989 468 HB2 ASP 66 1HB ASP 66 8.381 6.508 -6.245 469 HB3 ASP 66 2HB ASP 66 6.768 7.132 -6.619 470 H GLY 67 H GLY 67 7.012 9.818 -4.466 471 HA2 GLY 67 1HA GLY 67 5.358 11.326 -4.031 472 HA3 GLY 67 2HA GLY 67 4.184 10.082 -4.468 473 H ALA 68 H ALA 68 6.135 9.025 -1.900 474 HA ALA 68 HA ALA 68 5.072 10.408 0.319 475 HB1 ALA 68 1HB ALA 68 4.228 7.560 0.614 476 HB2 ALA 68 2HB ALA 68 3.412 9.061 1.101 477 HB3 ALA 68 3HB ALA 68 3.255 8.493 -0.545 478 H ASP 69 H ASP 69 5.704 8.365 2.309 479 HA ASP 69 HA ASP 69 7.926 6.823 1.430 480 HB2 ASP 69 1HB ASP 69 9.192 8.896 1.844 481 HB3 ASP 69 2HB ASP 69 8.562 8.955 3.503 482 H PHE 70 H PHE 70 7.234 5.008 2.273 483 HA PHE 70 HA PHE 70 6.505 4.877 5.166 484 HB2 PHE 70 1HB PHE 70 4.865 3.106 4.589 485 HB3 PHE 70 2HB PHE 70 4.487 4.651 3.868 486 HD1 PHE 70 1HD PHE 70 5.902 1.236 3.094 487 HD2 PHE 70 2HD PHE 70 4.241 4.930 1.532 488 HE1 PHE 70 1HE PHE 70 5.671 0.221 0.872 489 HE2 PHE 70 2HE PHE 70 3.935 3.848 -0.655 490 HZ PHE 70 HZ PHE 70 4.526 1.443 -0.964 491 H LEU 71 H LEU 71 6.494 2.533 5.958 492 HA LEU 71 HA LEU 71 8.970 1.100 5.179 493 HB2 LEU 71 1HB LEU 71 8.662 2.214 7.469 494 HB3 LEU 71 2HB LEU 71 7.330 1.113 7.760 495 HG LEU 71 HG LEU 71 8.920 -0.806 7.683 496 HD11 LEU 71 1HD1 LEU 71 11.051 1.372 7.442 497 HD12 LEU 71 2HD1 LEU 71 10.657 0.169 6.204 498 HD13 LEU 71 3HD1 LEU 71 11.352 -0.358 7.739 499 HD21 LEU 71 3HD2 LEU 71 10.141 -0.134 9.807 500 HD22 LEU 71 1HD2 LEU 71 8.404 0.223 9.830 501 HD23 LEU 71 2HD2 LEU 71 9.575 1.523 9.558 502 H ILE 72 H ILE 72 8.774 -1.339 5.283 503 HA ILE 72 HA ILE 72 6.072 -2.209 4.393 504 HB ILE 72 HB ILE 72 8.830 -3.022 3.385 505 HG12 ILE 72 1HG1 ILE 72 6.587 -1.455 2.040 506 HG13 ILE 72 2HG1 ILE 72 8.064 -0.739 2.673 507 HG21 ILE 72 1HG2 ILE 72 6.049 -3.941 2.521 508 HG22 ILE 72 2HG2 ILE 72 7.565 -4.348 1.683 509 HG23 ILE 72 3HG2 ILE 72 7.305 -4.929 3.306 510 HD11 ILE 72 3HD1 ILE 72 9.413 -2.040 1.065 511 HD12 ILE 72 1HD1 ILE 72 7.898 -2.642 0.326 512 HD13 ILE 72 2HD1 ILE 72 8.270 -0.916 0.310 513 H CYS 73 H CYS 73 5.282 -4.128 5.178 514 HA CYS 73 HA CYS 73 6.876 -5.574 7.230 515 HB2 CYS 73 1HB CYS 73 3.894 -5.180 7.424 516 HB3 CYS 73 2HB CYS 73 5.051 -5.648 8.674 517 HG CYS 73 HG CYS 73 4.170 -3.406 9.365 518 H VAL 74 H VAL 74 6.838 -7.829 6.880 519 HA VAL 74 HA VAL 74 4.841 -8.967 4.982 520 HB VAL 74 HB VAL 74 6.614 -10.279 3.909 521 HG11 VAL 74 1HG1 VAL 74 7.854 -8.318 2.779 522 HG12 VAL 74 2HG1 VAL 74 6.087 -8.423 2.699 523 HG13 VAL 74 3HG1 VAL 74 6.832 -7.263 3.761 524 HG21 VAL 74 3HG2 VAL 74 8.620 -8.771 5.606 525 HG22 VAL 74 1HG2 VAL 74 8.273 -10.501 5.627 526 HG23 VAL 74 2HG2 VAL 74 9.000 -9.780 4.193 527 HA PRO 75 HA PRO 75 4.636 -11.790 8.266 528 HB2 PRO 75 1HB PRO 75 4.411 -14.377 7.211 529 HB3 PRO 75 2HB PRO 75 3.077 -13.190 7.193 530 HG2 PRO 75 1HG PRO 75 5.049 -13.829 4.987 531 HG3 PRO 75 2HG PRO 75 3.276 -13.626 4.854 532 HD2 PRO 75 1HD PRO 75 4.988 -11.615 4.211 533 HD3 PRO 75 2HD PRO 75 3.436 -11.296 5.032 534 H GLU 76 H GLU 76 6.148 -12.945 9.546 535 HA GLU 76 HA GLU 76 8.894 -12.926 8.943 536 HB2 GLU 76 1HB GLU 76 9.127 -14.443 10.893 537 HB3 GLU 76 2HB GLU 76 8.097 -13.032 11.203 538 HG2 GLU 76 1HG GLU 76 6.095 -14.340 10.976 539 HG3 GLU 76 2HG GLU 76 6.986 -15.756 10.449 540 H GLU 77 H GLU 77 6.458 -15.433 8.279 541 HA GLU 77 HA GLU 77 8.099 -17.546 7.710 542 HB2 GLU 77 1HB GLU 77 5.507 -17.301 7.949 543 HB3 GLU 77 2HB GLU 77 5.505 -16.920 6.217 544 HG2 GLU 77 1HG GLU 77 6.619 -19.078 5.754 545 HG3 GLU 77 2HG GLU 77 6.755 -19.366 7.496 546 H ALA 78 H ALA 78 7.368 -14.751 5.706 547 HA ALA 78 HA ALA 78 8.645 -16.007 3.329 548 HB1 ALA 78 1HB ALA 78 6.289 -15.201 3.207 549 HB2 ALA 78 2HB ALA 78 6.905 -13.536 3.414 550 HB3 ALA 78 3HB ALA 78 7.415 -14.523 2.024 551 H LEU 79 H LEU 79 9.373 -13.962 5.871 552 HA LEU 79 HA LEU 79 10.355 -11.615 4.847 553 HB2 LEU 79 1HB LEU 79 9.995 -12.177 7.205 554 HB3 LEU 79 2HB LEU 79 11.384 -13.265 7.184 555 HG LEU 79 HG LEU 79 12.897 -11.325 6.779 556 HD11 LEU 79 1HD1 LEU 79 11.947 -9.017 7.168 557 HD12 LEU 79 2HD1 LEU 79 10.323 -9.703 7.066 558 HD13 LEU 79 3HD1 LEU 79 11.392 -9.752 5.648 559 HD21 LEU 79 3HD2 LEU 79 11.011 -10.928 9.137 560 HD22 LEU 79 1HD2 LEU 79 12.705 -10.407 9.035 561 HD23 LEU 79 2HD2 LEU 79 12.302 -12.128 9.079 562 H ASP 80 H ASP 80 12.158 -14.687 5.172 563 HA ASP 80 HA ASP 80 14.664 -13.450 4.269 564 HB2 ASP 80 1HB ASP 80 14.415 -15.492 5.823 565 HB3 ASP 80 2HB ASP 80 14.073 -16.398 4.342 566 H ARG 81 H ARG 81 12.090 -15.440 2.861 567 HA ARG 81 HA ARG 81 13.078 -15.962 0.255 568 HB2 ARG 81 1HB ARG 81 10.486 -15.903 1.616 569 HB3 ARG 81 2HB ARG 81 10.340 -15.111 0.065 570 HG2 ARG 81 1HG ARG 81 11.384 -17.246 -0.954 571 HG3 ARG 81 2HG ARG 81 11.090 -17.979 0.636 572 HD2 ARG 81 1HD ARG 81 8.720 -17.015 0.493 573 HD3 ARG 81 2HD ARG 81 9.051 -16.580 -1.183 574 HE ARG 81 HE ARG 81 8.506 -19.189 -0.004 575 HH11 ARG 81 1HH1 ARG 81 9.880 -17.771 -2.945 576 HH12 ARG 81 2HH1 ARG 81 8.952 -18.755 -4.034 577 HH21 ARG 81 1HH2 ARG 81 6.964 -20.127 -1.424 578 HH22 ARG 81 2HH2 ARG 81 7.171 -20.089 -3.120 579 H TYR 82 H TYR 82 11.266 -13.101 1.451 580 HA TYR 82 HA TYR 82 11.334 -11.634 -0.996 581 HB2 TYR 82 1HB TYR 82 10.991 -10.873 1.927 582 HB3 TYR 82 2HB TYR 82 11.003 -9.678 0.651 583 HD1 TYR 82 2HD TYR 82 9.203 -13.069 0.584 584 HD2 TYR 82 1HD TYR 82 8.923 -8.769 0.710 585 HE1 TYR 82 2HE TYR 82 6.753 -13.231 0.447 586 HE2 TYR 82 1HE TYR 82 6.492 -8.937 0.629 587 HH TYR 82 HH TYR 82 4.725 -11.979 0.946 588 H ARG 83 H ARG 83 13.502 -11.649 1.879 589 HA ARG 83 HA ARG 83 15.329 -9.675 0.807 590 HB2 ARG 83 1HB ARG 83 15.345 -11.613 3.114 591 HB3 ARG 83 2HB ARG 83 16.867 -10.916 2.575 592 HG2 ARG 83 1HG ARG 83 15.745 -8.623 2.686 593 HG3 ARG 83 2HG ARG 83 14.423 -9.401 3.571 594 HD2 ARG 83 1HD ARG 83 15.769 -9.884 5.419 595 HD3 ARG 83 2HD ARG 83 17.259 -9.910 4.492 596 HE ARG 83 HE ARG 83 16.023 -7.649 5.766 597 HH11 ARG 83 1HH1 ARG 83 18.010 -8.474 2.945 598 HH12 ARG 83 2HH1 ARG 83 18.908 -6.967 2.988 599 HH21 ARG 83 1HH2 ARG 83 17.246 -5.589 5.691 600 HH22 ARG 83 2HH2 ARG 83 18.546 -5.458 4.544 601 H ARG 84 H ARG 84 14.886 -12.997 0.002 602 HA ARG 84 HA ARG 84 17.459 -13.028 -1.480 603 HB2 ARG 84 1HB ARG 84 15.465 -15.149 -0.572 604 HB3 ARG 84 2HB ARG 84 16.822 -15.505 -1.643 605 HG2 ARG 84 1HG ARG 84 18.439 -14.771 -0.017 606 HG3 ARG 84 2HG ARG 84 17.197 -14.170 1.084 607 HD2 ARG 84 1HD ARG 84 16.382 -16.352 1.577 608 HD3 ARG 84 2HD ARG 84 17.320 -17.064 0.242 609 HE ARG 84 HE ARG 84 18.988 -15.676 2.126 610 HH11 ARG 84 1HH1 ARG 84 17.013 -18.555 2.044 611 HH12 ARG 84 2HH1 ARG 84 18.006 -19.540 3.020 612 HH21 ARG 84 1HH2 ARG 84 20.565 -16.995 3.245 613 HH22 ARG 84 2HH2 ARG 84 20.202 -18.637 3.612 614 H ASP 85 H ASP 85 14.766 -11.549 -2.246 615 HA ASP 85 HA ASP 85 14.011 -12.941 -4.684 616 HB2 ASP 85 1HB ASP 85 12.509 -11.418 -3.281 617 HB3 ASP 85 2HB ASP 85 13.467 -10.074 -3.922 618 H TYR 86 H TYR 86 14.212 -11.909 -6.888 619 HA TYR 86 HA TYR 86 16.919 -10.863 -7.301 620 HB2 TYR 86 1HB TYR 86 15.739 -12.623 -8.701 621 HB3 TYR 86 2HB TYR 86 14.705 -11.334 -9.314 622 HD1 TYR 86 2HD TYR 86 15.718 -9.503 -10.723 623 HD2 TYR 86 1HD TYR 86 17.979 -12.920 -9.434 624 HE1 TYR 86 2HE TYR 86 17.447 -9.016 -12.448 625 HE2 TYR 86 1HE TYR 86 19.743 -12.414 -11.105 626 HH TYR 86 HH TYR 86 20.287 -11.087 -12.959 627 H PHE 87 H PHE 87 13.535 -9.613 -7.357 628 HA PHE 87 HA PHE 87 14.458 -7.031 -8.479 629 HB2 PHE 87 1HB PHE 87 12.413 -8.113 -9.389 630 HB3 PHE 87 2HB PHE 87 11.662 -8.032 -7.801 631 HD1 PHE 87 1HD PHE 87 10.989 -5.827 -6.825 632 HD2 PHE 87 2HD PHE 87 12.704 -6.109 -10.781 633 HE1 PHE 87 1HE PHE 87 10.316 -3.493 -7.297 634 HE2 PHE 87 2HE PHE 87 11.992 -3.780 -11.240 635 HZ PHE 87 HZ PHE 87 10.812 -2.459 -9.502 636 H TRP 88 H TRP 88 12.668 -8.354 -5.645 637 HA TRP 88 HA TRP 88 12.460 -5.810 -4.418 638 HB2 TRP 88 1HB TRP 88 12.047 -8.593 -3.298 639 HB3 TRP 88 2HB TRP 88 11.749 -7.141 -2.385 640 HD1 TRP 88 HD TRP 88 10.214 -9.210 -5.190 641 HE1 TRP 88 1HE TRP 88 7.761 -8.607 -5.347 642 HE3 TRP 88 3HE TRP 88 10.323 -4.932 -2.402 643 HZ2 TRP 88 2HZ TRP 88 6.064 -6.358 -4.527 644 HZ3 TRP 88 3HZ TRP 88 8.299 -3.580 -2.099 645 HH2 TRP 88 HH TRP 88 6.138 -4.284 -3.158 646 H GLN 89 H GLN 89 15.343 -7.906 -4.237 647 HA GLN 89 HA GLN 89 16.425 -7.257 -1.861 648 HB2 GLN 89 1HB GLN 89 17.386 -7.848 -4.611 649 HB3 GLN 89 2HB GLN 89 18.539 -6.960 -3.608 650 HG2 GLN 89 1HG GLN 89 18.124 -8.616 -1.794 651 HG3 GLN 89 2HG GLN 89 17.110 -9.556 -2.842 652 HE21 GLN 89 1HE2 GLN 89 18.142 -10.128 -4.999 653 HE22 GLN 89 2HE2 GLN 89 19.823 -10.677 -5.006 654 H THR 90 H THR 90 16.296 -4.971 -4.568 655 HA THR 90 HA THR 90 17.785 -2.923 -3.361 656 HB THR 90 HB THR 90 17.108 -2.931 -5.704 657 HG1 THR 90 1HG THR 90 16.145 -0.531 -5.337 658 HG21 THR 90 3HG2 THR 90 14.685 -3.561 -5.359 659 HG22 THR 90 1HG2 THR 90 14.984 -2.250 -6.510 660 HG23 THR 90 2HG2 THR 90 14.395 -1.871 -4.881 661 H TYR 91 H TYR 91 14.295 -3.635 -2.869 662 HA TYR 91 HA TYR 91 13.859 -1.307 -1.210 663 HB2 TYR 91 1HB TYR 91 12.170 -3.743 -1.831 664 HB3 TYR 91 2HB TYR 91 11.650 -2.463 -0.754 665 HD1 TYR 91 1HD TYR 91 11.111 -0.206 -1.535 666 HD2 TYR 91 2HD TYR 91 12.308 -3.301 -4.298 667 HE1 TYR 91 1HE TYR 91 10.323 1.179 -3.436 668 HE2 TYR 91 2HE TYR 91 11.562 -1.900 -6.192 669 HH TYR 91 HH TYR 91 10.948 0.274 -6.784 670 H ALA 92 H ALA 92 15.803 -3.787 -0.481 671 HA ALA 92 HA ALA 92 14.633 -4.969 1.832 672 HB1 ALA 92 1HB ALA 92 16.415 -6.071 0.535 673 HB2 ALA 92 2HB ALA 92 17.550 -4.777 1.021 674 HB3 ALA 92 3HB ALA 92 16.856 -5.860 2.235 675 H ALA 93 H ALA 93 16.228 -1.922 1.322 676 HA ALA 93 HA ALA 93 17.044 -1.446 3.982 677 HB1 ALA 93 1HB ALA 93 17.020 0.946 3.287 678 HB2 ALA 93 2HB ALA 93 17.853 -0.091 2.123 679 HB3 ALA 93 3HB ALA 93 16.195 0.485 1.786 680 H TRP 94 H TRP 94 13.799 -1.915 2.886 681 HA TRP 94 HA TRP 94 12.783 -0.415 5.247 682 HB2 TRP 94 1HB TRP 94 11.458 -0.510 2.523 683 HB3 TRP 94 2HB TRP 94 10.888 0.340 3.937 684 HD1 TRP 94 HD TRP 94 12.432 2.419 4.824 685 HE1 TRP 94 1HE TRP 94 14.015 4.042 3.574 686 HE3 TRP 94 3HE TRP 94 12.937 -0.164 0.480 687 HZ2 TRP 94 2HZ TRP 94 15.357 4.139 1.080 688 HZ3 TRP 94 3HZ TRP 94 14.341 0.772 -1.403 689 HH2 TRP 94 HH TRP 94 15.540 2.913 -1.092 690 H ILE 95 H ILE 95 13.368 -3.406 4.551 691 HA ILE 95 HA ILE 95 10.633 -4.542 4.679 692 HB ILE 95 HB ILE 95 13.406 -5.706 4.198 693 HG12 ILE 95 1HG1 ILE 95 10.845 -5.522 2.537 694 HG13 ILE 95 2HG1 ILE 95 12.286 -4.531 2.327 695 HG21 ILE 95 1HG2 ILE 95 12.523 -7.921 3.974 696 HG22 ILE 95 2HG2 ILE 95 12.003 -7.337 5.555 697 HG23 ILE 95 3HG2 ILE 95 10.858 -7.362 4.196 698 HD11 ILE 95 3HD1 ILE 95 12.475 -6.105 0.639 699 HD12 ILE 95 1HD1 ILE 95 13.533 -6.765 1.906 700 HD13 ILE 95 2HD1 ILE 95 11.915 -7.450 1.656 701 H GLN 96 H GLN 96 9.764 -5.124 6.581 702 HA GLN 96 HA GLN 96 11.519 -6.316 8.635 703 HB2 GLN 96 1HB GLN 96 10.029 -5.211 10.412 704 HB3 GLN 96 2HB GLN 96 11.259 -4.261 9.595 705 HG2 GLN 96 1HG GLN 96 9.583 -3.105 8.303 706 HG3 GLN 96 2HG GLN 96 8.310 -4.214 8.864 707 HE21 GLN 96 1HE2 GLN 96 10.898 -2.809 10.946 708 HE22 GLN 96 2HE2 GLN 96 9.830 -1.736 11.815 709 HA PRO 97 HA PRO 97 8.256 -9.372 8.871 710 HB2 PRO 97 1HB PRO 97 8.030 -9.920 11.579 711 HB3 PRO 97 2HB PRO 97 9.318 -10.547 10.526 712 HG2 PRO 97 1HG PRO 97 9.377 -8.142 12.354 713 HG3 PRO 97 2HG PRO 97 10.626 -9.413 12.158 714 HD2 PRO 97 1HD PRO 97 10.817 -6.992 10.961 715 HD3 PRO 97 2HD PRO 97 11.390 -8.438 10.126 716 H MET 98 H MET 98 6.105 -9.753 10.132 717 HA MET 98 HA MET 98 4.698 -7.185 10.613 718 HB2 MET 98 1HB MET 98 2.899 -7.989 9.458 719 HB3 MET 98 2HB MET 98 4.113 -8.881 8.623 720 HG2 MET 98 1HG MET 98 3.502 -10.890 9.699 721 HG3 MET 98 2HG MET 98 2.604 -10.058 10.968 722 HE1 MET 98 3HE MET 98 2.609 -11.008 7.147 723 HE2 MET 98 1HE MET 98 1.051 -10.396 6.602 724 HE3 MET 98 2HE MET 98 2.342 -9.258 7.041 725 H GLU 99 H GLU 99 3.099 -7.266 12.446 726 HA GLU 99 HA GLU 99 3.537 -9.397 14.425 727 HB2 GLU 99 1HB GLU 99 4.166 -6.435 14.716 728 HB3 GLU 99 2HB GLU 99 3.777 -7.443 16.104 729 HG2 GLU 99 1HG GLU 99 5.649 -8.955 15.617 730 HG3 GLU 99 2HG GLU 99 6.053 -8.026 14.169 731 H GLN 100 H GLN 100 2.037 -8.650 16.437 732 HA GLN 100 HA GLN 100 -0.655 -8.324 15.251 733 HB2 GLN 100 1HB GLN 100 0.262 -9.622 17.856 734 HB3 GLN 100 2HB GLN 100 -1.421 -9.396 17.372 735 HG2 GLN 100 1HG GLN 100 -1.028 -10.782 15.337 736 HG3 GLN 100 2HG GLN 100 0.648 -11.035 15.835 737 HE21 GLN 100 1HE2 GLN 100 -2.607 -11.262 17.436 738 HE22 GLN 100 2HE2 GLN 100 -2.377 -12.886 18.045 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -15.567 14.467 -11.801 2 HA2 GLY 1 1HA GLY 1 -15.769 12.149 -10.990 3 HA3 GLY 1 2HA GLY 1 -13.997 12.110 -10.967 4 H SER 2 H SER 2 -14.866 11.376 -8.744 5 HA SER 2 HA SER 2 -13.694 13.173 -6.949 6 HB2 SER 2 1HB SER 2 -15.508 12.837 -5.191 7 HB3 SER 2 2HB SER 2 -15.899 13.993 -6.469 8 HG SER 2 HG SER 2 -17.227 11.812 -5.737 9 H HIS 3 H HIS 3 -13.603 11.558 -4.726 10 HA HIS 3 HA HIS 3 -13.353 8.797 -5.821 11 HB2 HIS 3 1HB HIS 3 -11.310 8.449 -4.750 12 HB3 HIS 3 2HB HIS 3 -11.154 9.877 -5.761 13 HD1 HIS 3 1HD HIS 3 -11.375 8.937 -2.011 14 HD2 HIS 3 2HD HIS 3 -10.345 12.086 -4.618 15 HE1 HIS 3 1HE HIS 3 -9.993 10.600 -0.643 16 H GLU 4 H GLU 4 -13.591 7.166 -4.439 17 HA GLU 4 HA GLU 4 -15.548 7.385 -2.432 18 HB2 GLU 4 1HB GLU 4 -13.585 5.097 -2.977 19 HB3 GLU 4 2HB GLU 4 -15.092 5.013 -2.070 20 HG2 GLU 4 1HG GLU 4 -15.800 4.151 -4.046 21 HG3 GLU 4 2HG GLU 4 -16.241 5.838 -4.271 22 H GLY 5 H GLY 5 -15.237 6.417 -0.155 23 HA2 GLY 5 1HA GLY 5 -13.068 7.910 1.203 24 HA3 GLY 5 2HA GLY 5 -14.532 7.233 1.920 25 H GLU 6 H GLU 6 -12.954 4.994 -0.179 26 HA GLU 6 HA GLU 6 -12.024 3.452 2.185 27 HB2 GLU 6 1HB GLU 6 -12.586 1.459 0.835 28 HB3 GLU 6 2HB GLU 6 -13.922 2.440 1.425 29 HG2 GLU 6 1HG GLU 6 -14.281 3.420 -0.773 30 HG3 GLU 6 2HG GLU 6 -12.882 2.587 -1.456 31 HA PRO 7 HA PRO 7 -8.260 3.946 -0.373 32 HB2 PRO 7 1HB PRO 7 -6.469 4.571 1.551 33 HB3 PRO 7 2HB PRO 7 -7.680 5.756 0.996 34 HG2 PRO 7 1HG PRO 7 -8.002 3.836 3.377 35 HG3 PRO 7 2HG PRO 7 -8.083 5.614 3.427 36 HD2 PRO 7 1HD PRO 7 -10.301 4.124 3.165 37 HD3 PRO 7 2HD PRO 7 -10.108 5.622 2.193 38 H VAL 8 H VAL 8 -9.091 1.536 -0.375 39 HA VAL 8 HA VAL 8 -7.241 -0.207 1.175 40 HB VAL 8 HB VAL 8 -10.232 -0.727 0.942 41 HG11 VAL 8 1HG1 VAL 8 -9.778 -2.334 2.825 42 HG12 VAL 8 2HG1 VAL 8 -8.981 -2.798 1.344 43 HG13 VAL 8 3HG1 VAL 8 -8.041 -2.017 2.649 44 HG21 VAL 8 3HG2 VAL 8 -10.062 1.202 2.369 45 HG22 VAL 8 1HG2 VAL 8 -10.282 -0.194 3.419 46 HG23 VAL 8 2HG2 VAL 8 -8.660 0.506 3.233 47 H VAL 9 H VAL 9 -7.351 -2.508 0.250 48 HA VAL 9 HA VAL 9 -6.929 -2.128 -2.650 49 HB VAL 9 HB VAL 9 -5.872 -4.284 -0.782 50 HG11 VAL 9 1HG1 VAL 9 -4.235 -4.591 -2.677 51 HG12 VAL 9 2HG1 VAL 9 -5.875 -4.913 -3.182 52 HG13 VAL 9 3HG1 VAL 9 -5.163 -3.376 -3.621 53 HG21 VAL 9 3HG2 VAL 9 -3.824 -3.249 -0.662 54 HG22 VAL 9 1HG2 VAL 9 -4.293 -1.900 -1.701 55 HG23 VAL 9 2HG2 VAL 9 -4.991 -2.093 -0.076 56 H GLY 10 H GLY 10 -9.343 -2.133 -2.826 57 HA2 GLY 10 1HA GLY 10 -10.509 -4.834 -2.760 58 HA3 GLY 10 2HA GLY 10 -11.369 -3.323 -2.921 59 H MET 11 H MET 11 -8.938 -5.271 -4.557 60 HA MET 11 HA MET 11 -8.461 -5.798 -6.684 61 HB2 MET 11 1HB MET 11 -11.487 -5.755 -6.827 62 HB3 MET 11 2HB MET 11 -10.474 -6.276 -8.166 63 HG2 MET 11 1HG MET 11 -9.305 -7.825 -6.416 64 HG3 MET 11 2HG MET 11 -10.767 -7.563 -5.465 65 HE1 MET 11 3HE MET 11 -8.993 -9.236 -8.413 66 HE2 MET 11 1HE MET 11 -10.281 -9.856 -9.459 67 HE3 MET 11 2HE MET 11 -9.962 -8.111 -9.391 68 H ASP 12 H ASP 12 -8.757 -2.672 -6.170 69 HA ASP 12 HA ASP 12 -7.669 -2.431 -8.831 70 HB2 ASP 12 1HB ASP 12 -9.912 -1.368 -9.129 71 HB3 ASP 12 2HB ASP 12 -9.499 -0.227 -7.865 72 H LYS 13 H LYS 13 -6.329 -0.338 -8.925 73 HA LYS 13 HA LYS 13 -4.866 -0.047 -6.353 74 HB2 LYS 13 1HB LYS 13 -3.936 -0.369 -9.197 75 HB3 LYS 13 2HB LYS 13 -2.863 0.258 -7.974 76 HG2 LYS 13 1HG LYS 13 -4.245 -2.447 -7.720 77 HG3 LYS 13 2HG LYS 13 -2.702 -2.114 -8.497 78 HD2 LYS 13 1HD LYS 13 -2.093 -3.013 -6.508 79 HD3 LYS 13 2HD LYS 13 -1.756 -1.297 -6.364 80 HE2 LYS 13 1HE LYS 13 -3.940 -1.062 -5.083 81 HE3 LYS 13 2HE LYS 13 -4.177 -2.809 -5.302 82 HZ1 LYS 13 3HZ LYS 13 -2.038 -1.490 -3.716 83 HZ2 LYS 13 1HZ LYS 13 -2.090 -3.114 -4.063 84 HZ3 LYS 13 2HZ LYS 13 -3.267 -2.398 -3.171 85 H SER 14 H SER 14 -6.909 1.821 -8.212 86 HA SER 14 HA SER 14 -5.147 4.129 -8.083 87 HB2 SER 14 1HB SER 14 -7.140 5.356 -8.890 88 HB3 SER 14 2HB SER 14 -6.745 3.947 -9.884 89 HG SER 14 HG SER 14 -8.427 2.815 -9.023 90 H LEU 15 H LEU 15 -7.396 2.658 -5.858 91 HA LEU 15 HA LEU 15 -8.278 5.037 -4.556 92 HB2 LEU 15 1HB LEU 15 -8.483 2.167 -3.546 93 HB3 LEU 15 2HB LEU 15 -9.444 3.543 -3.065 94 HG LEU 15 HG LEU 15 -10.852 2.260 -4.334 95 HD11 LEU 15 1HD1 LEU 15 -11.004 4.615 -5.041 96 HD12 LEU 15 2HD1 LEU 15 -11.431 3.500 -6.349 97 HD13 LEU 15 3HD1 LEU 15 -9.853 4.300 -6.361 98 HD21 LEU 15 3HD2 LEU 15 -10.485 1.167 -6.365 99 HD22 LEU 15 1HD2 LEU 15 -9.096 0.776 -5.343 100 HD23 LEU 15 2HD2 LEU 15 -8.944 1.968 -6.662 101 H PHE 16 H PHE 16 -5.810 5.705 -4.167 102 HA PHE 16 HA PHE 16 -5.160 4.961 -1.345 103 HB2 PHE 16 1HB PHE 16 -3.089 4.776 -3.569 104 HB3 PHE 16 2HB PHE 16 -2.798 4.589 -1.857 105 HD1 PHE 16 2HD PHE 16 -4.575 3.136 -4.783 106 HD2 PHE 16 1HD PHE 16 -3.283 2.592 -0.770 107 HE1 PHE 16 2HE PHE 16 -5.722 0.921 -4.739 108 HE2 PHE 16 1HE PHE 16 -4.272 0.268 -0.767 109 HZ PHE 16 HZ PHE 16 -5.579 -0.490 -2.755 110 H ALA 17 H ALA 17 -4.194 7.033 -4.104 111 HA ALA 17 HA ALA 17 -3.021 9.051 -2.394 112 HB1 ALA 17 1HB ALA 17 -3.721 9.036 -5.367 113 HB2 ALA 17 2HB ALA 17 -2.770 10.286 -4.540 114 HB3 ALA 17 3HB ALA 17 -2.141 8.635 -4.653 115 H GLY 18 H GLY 18 -5.123 9.020 -1.090 116 HA2 GLY 18 1HA GLY 18 -6.359 11.594 -1.652 117 HA3 GLY 18 2HA GLY 18 -7.516 10.256 -1.695 118 H ASN 19 H ASN 19 -6.114 8.719 0.514 119 HA ASN 19 HA ASN 19 -7.584 10.273 2.553 120 HB2 ASN 19 1HB ASN 19 -8.151 7.843 2.079 121 HB3 ASN 19 2HB ASN 19 -6.653 7.420 2.898 122 HD21 ASN 19 1HD2 ASN 19 -7.374 6.700 5.045 123 HD22 ASN 19 2HD2 ASN 19 -8.429 7.710 6.004 124 H THR 20 H THR 20 -6.049 11.791 3.039 125 HA THR 20 HA THR 20 -3.305 11.507 3.474 126 HB THR 20 HB THR 20 -3.697 13.933 4.310 127 HG1 THR 20 1HG THR 20 -5.767 14.711 3.916 128 HG21 THR 20 3HG2 THR 20 -4.927 13.040 1.647 129 HG22 THR 20 1HG2 THR 20 -3.223 13.436 1.946 130 HG23 THR 20 2HG2 THR 20 -4.465 14.692 2.059 131 H VAL 21 H VAL 21 -4.847 9.824 5.397 132 HA VAL 21 HA VAL 21 -3.542 10.538 7.945 133 HB VAL 21 HB VAL 21 -5.850 11.408 7.901 134 HG11 VAL 21 1HG1 VAL 21 -6.885 9.692 6.439 135 HG12 VAL 21 2HG1 VAL 21 -6.753 8.504 7.758 136 HG13 VAL 21 3HG1 VAL 21 -7.776 9.947 7.932 137 HG21 VAL 21 3HG2 VAL 21 -6.571 10.571 10.030 138 HG22 VAL 21 1HG2 VAL 21 -5.519 9.156 9.897 139 HG23 VAL 21 2HG2 VAL 21 -4.808 10.785 10.023 140 H ILE 22 H ILE 22 -4.358 8.159 5.510 141 HA ILE 22 HA ILE 22 -4.633 5.898 7.132 142 HB ILE 22 HB ILE 22 -5.450 5.973 4.901 143 HG12 ILE 22 1HG1 ILE 22 -3.289 3.859 5.209 144 HG13 ILE 22 2HG1 ILE 22 -4.902 3.810 5.939 145 HG21 ILE 22 1HG2 ILE 22 -2.735 5.623 3.625 146 HG22 ILE 22 2HG2 ILE 22 -4.296 6.126 2.908 147 HG23 ILE 22 3HG2 ILE 22 -3.369 7.232 3.908 148 HD11 ILE 22 3HD1 ILE 22 -4.907 2.407 3.957 149 HD12 ILE 22 1HD1 ILE 22 -5.883 3.851 3.659 150 HD13 ILE 22 2HD1 ILE 22 -4.268 3.712 2.951 151 H ARG 23 H ARG 23 -3.196 5.607 8.689 152 HA ARG 23 HA ARG 23 -0.308 5.609 8.218 153 HB2 ARG 23 1HB ARG 23 -1.902 4.690 10.654 154 HB3 ARG 23 2HB ARG 23 -0.158 4.934 10.564 155 HG2 ARG 23 1HG ARG 23 -0.941 7.377 9.700 156 HG3 ARG 23 2HG ARG 23 -2.369 6.957 10.645 157 HD2 ARG 23 1HD ARG 23 -1.292 7.679 12.473 158 HD3 ARG 23 2HD ARG 23 -0.219 6.290 12.352 159 HE ARG 23 HE ARG 23 1.468 7.603 11.591 160 HH11 ARG 23 1HH1 ARG 23 -1.518 9.454 11.540 161 HH12 ARG 23 2HH1 ARG 23 -0.846 10.959 11.016 162 HH21 ARG 23 1HH2 ARG 23 2.453 9.537 10.759 163 HH22 ARG 23 2HH2 ARG 23 1.522 10.944 10.359 164 H GLU 24 H GLU 24 -2.663 3.365 7.329 165 HA GLU 24 HA GLU 24 -0.643 1.269 7.293 166 HB2 GLU 24 1HB GLU 24 -2.646 1.422 9.358 167 HB3 GLU 24 2HB GLU 24 -3.126 0.105 8.285 168 HG2 GLU 24 1HG GLU 24 -0.720 -0.704 8.391 169 HG3 GLU 24 2HG GLU 24 -0.444 0.544 9.609 170 H ILE 25 H ILE 25 -0.817 0.011 5.582 171 HA ILE 25 HA ILE 25 -3.456 -0.318 4.260 172 HB ILE 25 HB ILE 25 -1.042 -0.084 2.479 173 HG12 ILE 25 1HG1 ILE 25 -2.391 2.262 3.745 174 HG13 ILE 25 2HG1 ILE 25 -0.716 1.955 3.408 175 HG21 ILE 25 1HG2 ILE 25 -3.245 -1.051 1.752 176 HG22 ILE 25 2HG2 ILE 25 -3.978 0.548 2.024 177 HG23 ILE 25 3HG2 ILE 25 -2.691 0.333 0.804 178 HD11 ILE 25 3HD1 ILE 25 -1.546 3.739 1.991 179 HD12 ILE 25 1HD1 ILE 25 -1.130 2.334 0.981 180 HD13 ILE 25 2HD1 ILE 25 -2.829 2.709 1.369 181 H THR 26 H THR 26 -3.822 -2.443 4.647 182 HA THR 26 HA THR 26 -1.624 -4.399 4.418 183 HB THR 26 HB THR 26 -4.613 -4.833 4.809 184 HG1 THR 26 1HG THR 26 -4.097 -5.009 6.950 185 HG21 THR 26 3HG2 THR 26 -3.838 -7.041 5.696 186 HG22 THR 26 1HG2 THR 26 -2.185 -6.656 5.193 187 HG23 THR 26 2HG2 THR 26 -3.477 -6.858 3.981 188 H VAL 27 H VAL 27 -1.416 -5.773 2.540 189 HA VAL 27 HA VAL 27 -3.285 -5.371 0.258 190 HB VAL 27 HB VAL 27 -0.253 -5.502 -0.009 191 HG11 VAL 27 1HG1 VAL 27 -0.528 -4.771 -2.238 192 HG12 VAL 27 2HG1 VAL 27 -1.768 -6.016 -2.017 193 HG13 VAL 27 3HG1 VAL 27 -2.221 -4.306 -1.965 194 HG21 VAL 27 3HG2 VAL 27 -0.531 -3.466 1.175 195 HG22 VAL 27 1HG2 VAL 27 -0.341 -3.036 -0.529 196 HG23 VAL 27 2HG2 VAL 27 -1.947 -3.001 0.226 197 H GLN 28 H GLN 28 -4.091 -7.380 -0.239 198 HA GLN 28 HA GLN 28 -2.666 -9.820 0.567 199 HB2 GLN 28 1HB GLN 28 -5.091 -9.387 -1.233 200 HB3 GLN 28 2HB GLN 28 -4.494 -10.946 -0.740 201 HG2 GLN 28 1HG GLN 28 -5.990 -10.798 0.933 202 HG3 GLN 28 2HG GLN 28 -4.752 -9.823 1.733 203 HE21 GLN 28 1HE2 GLN 28 -5.693 -7.911 2.609 204 HE22 GLN 28 2HE2 GLN 28 -6.984 -7.031 1.811 205 HA PRO 29 HA PRO 29 -0.217 -10.336 -3.025 206 HB2 PRO 29 1HB PRO 29 -0.497 -13.017 -3.663 207 HB3 PRO 29 2HB PRO 29 0.499 -12.382 -2.319 208 HG2 PRO 29 1HG PRO 29 -2.330 -13.468 -2.194 209 HG3 PRO 29 2HG PRO 29 -0.954 -13.823 -1.094 210 HD2 PRO 29 1HD PRO 29 -2.804 -12.066 -0.389 211 HD3 PRO 29 2HD PRO 29 -1.083 -11.750 -0.053 212 H ASN 30 H ASN 30 -0.270 -10.778 -5.256 213 HA ASN 30 HA ASN 30 -1.075 -10.379 -7.320 214 HB2 ASN 30 1HB ASN 30 -2.601 -12.841 -6.488 215 HB3 ASN 30 2HB ASN 30 -2.349 -12.307 -8.149 216 HD21 ASN 30 1HD2 ASN 30 -1.008 -14.245 -5.718 217 HD22 ASN 30 2HD2 ASN 30 0.601 -14.407 -6.373 218 H ILE 31 H ILE 31 -2.154 -8.363 -6.203 219 HA ILE 31 HA ILE 31 -4.893 -8.145 -7.267 220 HB ILE 31 HB ILE 31 -5.240 -8.923 -5.092 221 HG12 ILE 31 1HG1 ILE 31 -6.004 -5.983 -5.106 222 HG13 ILE 31 2HG1 ILE 31 -6.619 -7.090 -6.325 223 HG21 ILE 31 1HG2 ILE 31 -3.062 -7.950 -4.185 224 HG22 ILE 31 2HG2 ILE 31 -3.928 -6.453 -3.955 225 HG23 ILE 31 3HG2 ILE 31 -4.432 -7.939 -3.079 226 HD11 ILE 31 3HD1 ILE 31 -7.616 -8.525 -4.727 227 HD12 ILE 31 1HD1 ILE 31 -6.919 -7.629 -3.358 228 HD13 ILE 31 2HD1 ILE 31 -8.156 -6.863 -4.367 229 H GLY 32 H GLY 32 -3.476 -7.238 -8.743 230 HA2 GLY 32 1HA GLY 32 -3.433 -5.371 -10.080 231 HA3 GLY 32 2HA GLY 32 -3.684 -4.354 -8.667 232 H LEU 33 H LEU 33 -2.013 -3.423 -10.472 233 HA LEU 33 HA LEU 33 0.787 -4.126 -9.934 234 HB2 LEU 33 1HB LEU 33 0.027 -3.577 -12.197 235 HB3 LEU 33 2HB LEU 33 -0.552 -2.002 -11.650 236 HG LEU 33 HG LEU 33 1.753 -1.281 -11.207 237 HD11 LEU 33 1HD1 LEU 33 2.527 -4.011 -12.330 238 HD12 LEU 33 2HD1 LEU 33 2.919 -3.330 -10.717 239 HD13 LEU 33 3HD1 LEU 33 3.641 -2.632 -12.143 240 HD21 LEU 33 3HD2 LEU 33 1.347 -2.407 -14.010 241 HD22 LEU 33 1HD2 LEU 33 2.429 -1.085 -13.543 242 HD23 LEU 33 2HD2 LEU 33 0.683 -0.875 -13.393 243 H LEU 34 H LEU 34 2.152 -3.006 -8.654 244 HA LEU 34 HA LEU 34 1.310 -0.491 -7.309 245 HB2 LEU 34 1HB LEU 34 3.600 -2.464 -6.975 246 HB3 LEU 34 2HB LEU 34 3.693 -0.850 -6.290 247 HG LEU 34 HG LEU 34 1.310 -2.648 -5.725 248 HD11 LEU 34 1HD1 LEU 34 3.111 -4.051 -5.017 249 HD12 LEU 34 2HD1 LEU 34 2.444 -3.313 -3.565 250 HD13 LEU 34 3HD1 LEU 34 3.973 -2.700 -4.255 251 HD21 LEU 34 3HD2 LEU 34 2.690 -0.509 -4.043 252 HD22 LEU 34 1HD2 LEU 34 1.113 -1.278 -3.713 253 HD23 LEU 34 2HD2 LEU 34 1.322 -0.189 -5.104 254 H TYR 35 H TYR 35 1.900 1.359 -8.441 255 HA TYR 35 HA TYR 35 4.021 1.171 -10.493 256 HB2 TYR 35 1HB TYR 35 2.617 2.625 -11.964 257 HB3 TYR 35 2HB TYR 35 2.083 0.973 -11.806 258 HD1 TYR 35 1HD TYR 35 0.012 0.404 -10.536 259 HD2 TYR 35 2HD TYR 35 1.200 4.461 -11.280 260 HE1 TYR 35 1HE TYR 35 -2.266 1.175 -9.953 261 HE2 TYR 35 2HE TYR 35 -1.052 5.259 -10.656 262 HH TYR 35 HH TYR 35 -3.188 4.648 -10.047 263 H ASP 36 H ASP 36 4.391 3.690 -11.244 264 HA ASP 36 HA ASP 36 5.450 4.996 -8.908 265 HB2 ASP 36 1HB ASP 36 6.155 6.702 -10.497 266 HB3 ASP 36 2HB ASP 36 6.525 5.110 -11.147 267 H GLY 37 H GLY 37 4.852 7.129 -8.269 268 HA2 GLY 37 1HA GLY 37 3.505 8.798 -7.563 269 HA3 GLY 37 2HA GLY 37 2.643 8.639 -9.087 270 H MET 38 H MET 38 2.241 5.668 -7.646 271 HA MET 38 HA MET 38 -0.438 5.824 -7.291 272 HB2 MET 38 1HB MET 38 1.397 3.908 -7.356 273 HB3 MET 38 2HB MET 38 1.183 3.876 -5.604 274 HG2 MET 38 1HG MET 38 -1.077 3.672 -7.593 275 HG3 MET 38 2HG MET 38 -0.080 2.317 -7.055 276 HE1 MET 38 3HE MET 38 -2.200 0.878 -4.476 277 HE2 MET 38 1HE MET 38 -1.927 0.826 -6.243 278 HE3 MET 38 2HE MET 38 -0.539 0.875 -5.141 279 H PHE 39 H PHE 39 1.988 6.561 -4.937 280 HA PHE 39 HA PHE 39 -0.058 7.085 -2.833 281 HB2 PHE 39 1HB PHE 39 2.924 6.696 -2.416 282 HB3 PHE 39 2HB PHE 39 1.667 6.726 -1.190 283 HD1 PHE 39 2HD PHE 39 -0.418 5.041 -1.837 284 HD2 PHE 39 1HD PHE 39 3.718 4.538 -2.994 285 HE1 PHE 39 2HE PHE 39 -0.859 2.670 -2.328 286 HE2 PHE 39 1HE PHE 39 3.277 2.144 -3.450 287 HZ PHE 39 HZ PHE 39 0.985 1.216 -3.166 288 H SER 40 H SER 40 0.836 9.022 -5.070 289 HA SER 40 HA SER 40 2.365 11.091 -3.934 290 HB2 SER 40 1HB SER 40 1.634 10.629 -6.378 291 HB3 SER 40 2HB SER 40 0.222 11.617 -5.965 292 HG SER 40 HG SER 40 1.544 13.132 -6.503 293 H GLY 41 H GLY 41 2.046 11.889 -2.034 294 HA2 GLY 41 1HA GLY 41 1.175 13.569 -0.680 295 HA3 GLY 41 2HA GLY 41 -0.311 13.605 -1.629 296 H CYS 42 H CYS 42 0.866 10.462 -0.473 297 HA CYS 42 HA CYS 42 -1.269 10.256 1.569 298 HB2 CYS 42 1HB CYS 42 1.117 8.441 1.035 299 HB3 CYS 42 2HB CYS 42 -0.264 8.098 2.074 300 HG CYS 42 HG CYS 42 -0.340 6.693 -0.145 301 H THR 43 H THR 43 -0.675 12.280 2.626 302 HA THR 43 HA THR 43 1.827 12.749 3.842 303 HB THR 43 HB THR 43 0.352 14.651 4.861 304 HG1 THR 43 1HG THR 43 -1.601 14.856 3.513 305 HG21 THR 43 3HG2 THR 43 0.302 15.836 2.720 306 HG22 THR 43 1HG2 THR 43 0.513 14.316 1.830 307 HG23 THR 43 2HG2 THR 43 1.813 14.927 2.877 308 H ALA 44 H ALA 44 0.069 10.234 4.847 309 HA ALA 44 HA ALA 44 1.115 10.601 7.605 310 HB1 ALA 44 1HB ALA 44 -1.286 11.100 7.689 311 HB2 ALA 44 2HB ALA 44 -1.623 9.546 6.875 312 HB3 ALA 44 3HB ALA 44 -0.943 9.565 8.511 313 H LEU 45 H LEU 45 1.519 8.794 4.914 314 HA LEU 45 HA LEU 45 0.898 6.187 5.891 315 HB2 LEU 45 1HB LEU 45 1.378 7.127 3.438 316 HB3 LEU 45 2HB LEU 45 2.962 6.493 3.690 317 HG LEU 45 HG LEU 45 0.444 5.079 4.164 318 HD11 LEU 45 1HD1 LEU 45 0.184 5.612 1.908 319 HD12 LEU 45 2HD1 LEU 45 0.775 3.941 1.823 320 HD13 LEU 45 3HD1 LEU 45 1.880 5.303 1.543 321 HD21 LEU 45 3HD2 LEU 45 2.304 3.061 3.591 322 HD22 LEU 45 1HD2 LEU 45 0.757 3.092 4.392 323 HD23 LEU 45 2HD2 LEU 45 2.096 3.777 5.239 324 H GLU 46 H GLU 46 1.909 5.086 7.489 325 HA GLU 46 HA GLU 46 4.871 5.180 7.523 326 HB2 GLU 46 1HB GLU 46 4.832 4.796 9.874 327 HB3 GLU 46 2HB GLU 46 4.154 6.361 9.413 328 HG2 GLU 46 1HG GLU 46 1.891 5.521 9.785 329 HG3 GLU 46 2HG GLU 46 2.536 3.891 10.072 330 H LYS 47 H LYS 47 1.978 2.938 7.832 331 HA LYS 47 HA LYS 47 4.008 0.796 7.335 332 HB2 LYS 47 1HB LYS 47 1.608 0.920 9.124 333 HB3 LYS 47 2HB LYS 47 1.934 -0.591 8.287 334 HG2 LYS 47 1HG LYS 47 4.402 -0.217 9.227 335 HG3 LYS 47 2HG LYS 47 3.555 0.791 10.418 336 HD2 LYS 47 1HD LYS 47 2.072 -1.171 10.966 337 HD3 LYS 47 2HD LYS 47 2.876 -2.098 9.691 338 HE2 LYS 47 1HE LYS 47 4.049 -2.857 11.508 339 HE3 LYS 47 2HE LYS 47 5.092 -1.539 10.970 340 HZ1 LYS 47 3HZ LYS 47 4.767 -1.420 13.316 341 HZ2 LYS 47 1HZ LYS 47 3.170 -1.610 13.191 342 HZ3 LYS 47 2HZ LYS 47 3.864 -0.174 12.710 343 H LEU 48 H LEU 48 3.775 -0.619 5.849 344 HA LEU 48 HA LEU 48 1.239 -0.989 4.360 345 HB2 LEU 48 1HB LEU 48 3.043 -0.018 2.908 346 HB3 LEU 48 2HB LEU 48 4.140 -1.277 3.438 347 HG LEU 48 HG LEU 48 2.436 -2.968 2.400 348 HD11 LEU 48 1HD1 LEU 48 1.534 -0.309 1.224 349 HD12 LEU 48 2HD1 LEU 48 0.543 -1.546 2.010 350 HD13 LEU 48 3HD1 LEU 48 1.242 -1.847 0.412 351 HD21 LEU 48 3HD2 LEU 48 3.848 -1.094 0.472 352 HD22 LEU 48 1HD2 LEU 48 3.406 -2.768 0.195 353 HD23 LEU 48 2HD2 LEU 48 4.652 -2.402 1.390 354 H ILE 49 H ILE 49 0.615 -3.223 4.494 355 HA ILE 49 HA ILE 49 2.612 -5.127 5.585 356 HB ILE 49 HB ILE 49 -0.352 -5.156 6.257 357 HG12 ILE 49 1HG1 ILE 49 0.960 -4.985 8.685 358 HG13 ILE 49 2HG1 ILE 49 1.974 -3.960 7.680 359 HG21 ILE 49 1HG2 ILE 49 1.969 -6.924 7.250 360 HG22 ILE 49 2HG2 ILE 49 0.305 -6.999 7.827 361 HG23 ILE 49 3HG2 ILE 49 0.658 -7.435 6.163 362 HD11 ILE 49 3HD1 ILE 49 0.276 -2.688 8.836 363 HD12 ILE 49 1HD1 ILE 49 -0.010 -2.597 7.082 364 HD13 ILE 49 2HD1 ILE 49 -1.019 -3.656 8.099 365 H LEU 50 H LEU 50 2.643 -7.075 4.476 366 HA LEU 50 HA LEU 50 0.896 -7.329 2.088 367 HB2 LEU 50 1HB LEU 50 3.748 -8.256 2.516 368 HB3 LEU 50 2HB LEU 50 2.801 -8.499 1.063 369 HG LEU 50 HG LEU 50 3.931 -5.867 2.113 370 HD11 LEU 50 1HD1 LEU 50 4.388 -7.430 -0.459 371 HD12 LEU 50 2HD1 LEU 50 5.522 -7.300 0.900 372 HD13 LEU 50 3HD1 LEU 50 5.138 -5.864 -0.045 373 HD21 LEU 50 3HD2 LEU 50 3.021 -4.884 -0.023 374 HD22 LEU 50 1HD2 LEU 50 1.794 -5.271 1.184 375 HD23 LEU 50 2HD2 LEU 50 2.032 -6.343 -0.214 376 H THR 51 H THR 51 0.194 -9.555 1.745 377 HA THR 51 HA THR 51 0.405 -11.220 4.181 378 HB THR 51 HB THR 51 -1.774 -11.688 4.273 379 HG1 THR 51 1HG THR 51 -2.197 -12.326 2.199 380 HG21 THR 51 3HG2 THR 51 -2.033 -8.923 3.024 381 HG22 THR 51 1HG2 THR 51 -1.369 -9.188 4.643 382 HG23 THR 51 2HG2 THR 51 -3.035 -9.660 4.290 383 H GLY 52 H GLY 52 1.744 -11.245 1.288 384 HA2 GLY 52 1HA GLY 52 0.925 -13.982 0.413 385 HA3 GLY 52 2HA GLY 52 1.896 -12.821 -0.502 386 H GLU 53 H GLU 53 2.724 -15.475 -0.292 387 HA GLU 53 HA GLU 53 4.960 -15.370 1.676 388 HB2 GLU 53 1HB GLU 53 3.460 -17.807 0.698 389 HB3 GLU 53 2HB GLU 53 4.757 -17.760 1.875 390 HG2 GLU 53 1HG GLU 53 3.386 -17.433 3.550 391 HG3 GLU 53 2HG GLU 53 2.782 -15.937 2.865 392 H ASP 54 H ASP 54 4.861 -14.679 -1.438 393 HA ASP 54 HA ASP 54 7.613 -15.547 -1.571 394 HB2 ASP 54 1HB ASP 54 5.709 -16.970 -3.207 395 HB3 ASP 54 2HB ASP 54 6.635 -15.939 -4.274 396 HA PRO 55 HA PRO 55 7.617 -11.469 -3.225 397 HB2 PRO 55 1HB PRO 55 10.181 -11.355 -4.388 398 HB3 PRO 55 2HB PRO 55 9.831 -11.191 -2.659 399 HG2 PRO 55 1HG PRO 55 10.819 -13.568 -4.214 400 HG3 PRO 55 2HG PRO 55 11.177 -13.142 -2.525 401 HD2 PRO 55 1HD PRO 55 9.396 -15.081 -3.393 402 HD3 PRO 55 2HD PRO 55 9.359 -14.308 -1.785 403 H SER 56 H SER 56 7.567 -14.092 -5.432 404 HA SER 56 HA SER 56 7.034 -12.191 -7.670 405 HB2 SER 56 1HB SER 56 6.842 -15.213 -7.681 406 HB3 SER 56 2HB SER 56 6.739 -14.114 -9.074 407 HG SER 56 HG SER 56 8.921 -14.738 -7.411 408 H ALA 57 H ALA 57 5.324 -12.612 -4.976 409 HA ALA 57 HA ALA 57 2.741 -13.304 -6.247 410 HB1 ALA 57 1HB ALA 57 1.858 -13.372 -4.037 411 HB2 ALA 57 2HB ALA 57 3.391 -14.254 -4.016 412 HB3 ALA 57 3HB ALA 57 3.302 -12.596 -3.353 413 H TYR 58 H TYR 58 4.577 -10.477 -5.888 414 HA TYR 58 HA TYR 58 2.167 -8.753 -6.123 415 HB2 TYR 58 1HB TYR 58 4.791 -8.169 -4.687 416 HB3 TYR 58 2HB TYR 58 3.620 -6.997 -5.013 417 HD1 TYR 58 2HD TYR 58 4.283 -10.080 -2.902 418 HD2 TYR 58 1HD TYR 58 1.520 -6.858 -3.864 419 HE1 TYR 58 2HE TYR 58 2.912 -10.638 -0.947 420 HE2 TYR 58 1HE TYR 58 0.201 -7.406 -1.861 421 HH TYR 58 HH TYR 58 -0.006 -8.760 -0.037 422 H SER 59 H SER 59 2.938 -6.552 -7.052 423 HA SER 59 HA SER 59 5.008 -6.860 -9.167 424 HB2 SER 59 1HB SER 59 2.584 -5.061 -9.318 425 HB3 SER 59 2HB SER 59 3.672 -5.533 -10.627 426 HG SER 59 HG SER 59 2.772 -7.735 -10.230 427 H ALA 60 H ALA 60 5.818 -4.507 -9.739 428 HA ALA 60 HA ALA 60 5.334 -2.196 -8.192 429 HB1 ALA 60 1HB ALA 60 7.623 -1.980 -7.193 430 HB2 ALA 60 2HB ALA 60 6.462 -2.998 -6.318 431 HB3 ALA 60 3HB ALA 60 7.745 -3.750 -7.259 432 H GLY 61 H GLY 61 5.547 -0.823 -9.807 433 HA2 GLY 61 1HA GLY 61 7.318 -0.981 -12.067 434 HA3 GLY 61 2HA GLY 61 6.340 0.377 -11.481 435 H ASP 62 H ASP 62 8.479 1.351 -12.101 436 HA ASP 62 HA ASP 62 10.953 0.530 -10.973 437 HB2 ASP 62 1HB ASP 62 10.580 1.810 -13.113 438 HB3 ASP 62 2HB ASP 62 10.238 3.254 -12.150 439 H GLY 63 H GLY 63 8.696 3.047 -10.077 440 HA2 GLY 63 1HA GLY 63 10.193 3.796 -7.618 441 HA3 GLY 63 2HA GLY 63 9.044 4.785 -8.555 442 H LEU 64 H LEU 64 9.249 1.759 -6.665 443 HA LEU 64 HA LEU 64 6.461 1.169 -6.315 444 HB2 LEU 64 1HB LEU 64 8.247 -0.274 -5.599 445 HB3 LEU 64 2HB LEU 64 8.715 0.858 -4.323 446 HG LEU 64 HG LEU 64 5.944 -0.409 -4.444 447 HD11 LEU 64 1HD1 LEU 64 7.616 -2.201 -4.365 448 HD12 LEU 64 2HD1 LEU 64 6.814 -2.039 -2.796 449 HD13 LEU 64 3HD1 LEU 64 8.459 -1.399 -3.029 450 HD21 LEU 64 3HD2 LEU 64 7.555 0.878 -2.183 451 HD22 LEU 64 1HD2 LEU 64 6.082 -0.080 -1.924 452 HD23 LEU 64 2HD2 LEU 64 5.984 1.415 -2.819 453 H ARG 65 H ARG 65 8.598 3.477 -4.601 454 HA ARG 65 HA ARG 65 6.534 4.042 -2.596 455 HB2 ARG 65 1HB ARG 65 9.318 5.276 -2.987 456 HB3 ARG 65 2HB ARG 65 8.261 5.458 -1.579 457 HG2 ARG 65 1HG ARG 65 8.378 2.973 -1.238 458 HG3 ARG 65 2HG ARG 65 9.610 2.905 -2.496 459 HD2 ARG 65 1HD ARG 65 11.115 4.320 -1.210 460 HD3 ARG 65 2HD ARG 65 9.810 4.764 -0.091 461 HE ARG 65 HE ARG 65 10.706 1.953 -0.335 462 HH11 ARG 65 1HH1 ARG 65 10.615 4.812 1.862 463 HH12 ARG 65 2HH1 ARG 65 10.280 3.870 3.244 464 HH21 ARG 65 1HH2 ARG 65 9.752 0.819 1.481 465 HH22 ARG 65 2HH2 ARG 65 9.462 1.746 2.932 466 H ASP 66 H ASP 66 7.008 5.362 -5.655 467 HA ASP 66 HA ASP 66 7.659 7.985 -5.202 468 HB2 ASP 66 1HB ASP 66 6.544 6.433 -7.428 469 HB3 ASP 66 2HB ASP 66 5.978 8.113 -7.428 470 H GLY 67 H GLY 67 6.734 9.419 -3.903 471 HA2 GLY 67 1HA GLY 67 4.961 11.121 -3.996 472 HA3 GLY 67 2HA GLY 67 3.809 9.788 -4.106 473 H ALA 68 H ALA 68 5.658 8.440 -1.885 474 HA ALA 68 HA ALA 68 5.016 10.080 0.469 475 HB1 ALA 68 1HB ALA 68 3.874 7.266 0.126 476 HB2 ALA 68 2HB ALA 68 3.720 8.305 1.565 477 HB3 ALA 68 3HB ALA 68 2.953 8.782 0.047 478 H ASP 69 H ASP 69 5.710 8.331 2.504 479 HA ASP 69 HA ASP 69 7.829 6.574 1.635 480 HB2 ASP 69 1HB ASP 69 9.052 8.765 1.802 481 HB3 ASP 69 2HB ASP 69 8.688 8.783 3.529 482 H PHE 70 H PHE 70 6.915 4.899 2.513 483 HA PHE 70 HA PHE 70 6.203 4.816 5.413 484 HB2 PHE 70 1HB PHE 70 4.130 3.546 4.799 485 HB3 PHE 70 2HB PHE 70 4.264 4.918 3.948 486 HD1 PHE 70 1HD PHE 70 5.331 1.338 3.550 487 HD2 PHE 70 2HD PHE 70 4.052 4.932 1.555 488 HE1 PHE 70 1HE PHE 70 5.329 0.146 1.428 489 HE2 PHE 70 2HE PHE 70 3.881 3.680 -0.557 490 HZ PHE 70 HZ PHE 70 4.476 1.260 -0.647 491 H LEU 71 H LEU 71 6.154 2.600 6.156 492 HA LEU 71 HA LEU 71 8.638 1.053 5.382 493 HB2 LEU 71 1HB LEU 71 6.975 1.257 7.906 494 HB3 LEU 71 2HB LEU 71 7.776 -0.254 7.599 495 HG LEU 71 HG LEU 71 9.258 2.401 7.746 496 HD11 LEU 71 1HD1 LEU 71 8.812 0.156 9.771 497 HD12 LEU 71 2HD1 LEU 71 8.211 1.822 9.892 498 HD13 LEU 71 3HD1 LEU 71 9.948 1.505 9.985 499 HD21 LEU 71 3HD2 LEU 71 10.518 0.746 6.465 500 HD22 LEU 71 1HD2 LEU 71 10.168 -0.524 7.663 501 HD23 LEU 71 2HD2 LEU 71 11.225 0.837 8.073 502 H ILE 72 H ILE 72 8.595 -1.243 5.062 503 HA ILE 72 HA ILE 72 5.977 -2.263 4.110 504 HB ILE 72 HB ILE 72 8.767 -3.084 3.331 505 HG12 ILE 72 1HG1 ILE 72 6.779 -1.693 1.507 506 HG13 ILE 72 2HG1 ILE 72 7.841 -0.729 2.512 507 HG21 ILE 72 1HG2 ILE 72 5.980 -3.966 2.394 508 HG22 ILE 72 2HG2 ILE 72 7.465 -4.324 1.510 509 HG23 ILE 72 3HG2 ILE 72 7.240 -4.963 3.132 510 HD11 ILE 72 3HD1 ILE 72 8.769 -2.803 0.514 511 HD12 ILE 72 1HD1 ILE 72 8.827 -1.038 0.326 512 HD13 ILE 72 2HD1 ILE 72 9.810 -1.832 1.581 513 H CYS 73 H CYS 73 5.079 -3.854 5.362 514 HA CYS 73 HA CYS 73 6.852 -5.438 7.110 515 HB2 CYS 73 1HB CYS 73 3.882 -5.029 7.413 516 HB3 CYS 73 2HB CYS 73 5.016 -5.741 8.581 517 HG CYS 73 HG CYS 73 4.703 -2.697 7.425 518 H VAL 74 H VAL 74 6.736 -7.676 6.877 519 HA VAL 74 HA VAL 74 4.796 -8.856 4.949 520 HB VAL 74 HB VAL 74 6.716 -10.314 4.108 521 HG11 VAL 74 1HG1 VAL 74 6.715 -7.355 3.436 522 HG12 VAL 74 2HG1 VAL 74 7.598 -8.589 2.522 523 HG13 VAL 74 3HG1 VAL 74 5.847 -8.694 2.645 524 HG21 VAL 74 3HG2 VAL 74 8.429 -9.933 5.734 525 HG22 VAL 74 1HG2 VAL 74 9.004 -9.398 4.168 526 HG23 VAL 74 2HG2 VAL 74 8.481 -8.200 5.381 527 HA PRO 75 HA PRO 75 4.373 -11.649 8.258 528 HB2 PRO 75 1HB PRO 75 4.165 -14.211 7.145 529 HB3 PRO 75 2HB PRO 75 2.858 -13.004 7.154 530 HG2 PRO 75 1HG PRO 75 4.774 -13.666 4.938 531 HG3 PRO 75 2HG PRO 75 3.022 -13.325 4.823 532 HD2 PRO 75 1HD PRO 75 4.917 -11.451 4.227 533 HD3 PRO 75 2HD PRO 75 3.370 -11.008 4.984 534 H GLU 76 H GLU 76 5.699 -12.855 9.628 535 HA GLU 76 HA GLU 76 8.458 -12.785 9.324 536 HB2 GLU 76 1HB GLU 76 8.690 -14.052 11.257 537 HB3 GLU 76 2HB GLU 76 7.207 -13.117 11.441 538 HG2 GLU 76 1HG GLU 76 5.939 -15.193 10.716 539 HG3 GLU 76 2HG GLU 76 7.463 -16.082 10.766 540 H GLU 77 H GLU 77 6.315 -15.387 8.169 541 HA GLU 77 HA GLU 77 8.304 -17.307 7.657 542 HB2 GLU 77 1HB GLU 77 5.459 -16.789 6.708 543 HB3 GLU 77 2HB GLU 77 6.410 -18.181 6.194 544 HG2 GLU 77 1HG GLU 77 6.839 -18.670 8.677 545 HG3 GLU 77 2HG GLU 77 5.580 -17.496 9.034 546 H ALA 78 H ALA 78 7.294 -14.444 5.837 547 HA ALA 78 HA ALA 78 8.457 -15.479 3.304 548 HB1 ALA 78 1HB ALA 78 7.389 -13.527 2.328 549 HB2 ALA 78 2HB ALA 78 6.228 -14.430 3.305 550 HB3 ALA 78 3HB ALA 78 6.941 -12.919 3.929 551 H LEU 79 H LEU 79 9.661 -13.904 6.004 552 HA LEU 79 HA LEU 79 10.668 -11.539 5.023 553 HB2 LEU 79 1HB LEU 79 10.419 -12.322 7.410 554 HB3 LEU 79 2HB LEU 79 11.901 -13.218 7.240 555 HG LEU 79 HG LEU 79 13.193 -11.181 6.942 556 HD11 LEU 79 1HD1 LEU 79 10.574 -9.623 7.084 557 HD12 LEU 79 2HD1 LEU 79 11.670 -9.715 5.694 558 HD13 LEU 79 3HD1 LEU 79 12.184 -8.912 7.174 559 HD21 LEU 79 3HD2 LEU 79 11.181 -10.900 9.231 560 HD22 LEU 79 1HD2 LEU 79 12.782 -10.153 9.170 561 HD23 LEU 79 2HD2 LEU 79 12.642 -11.909 9.262 562 H ASP 80 H ASP 80 12.461 -14.653 5.160 563 HA ASP 80 HA ASP 80 14.983 -13.469 4.171 564 HB2 ASP 80 1HB ASP 80 14.743 -15.539 5.708 565 HB3 ASP 80 2HB ASP 80 14.189 -16.401 4.276 566 H ARG 81 H ARG 81 12.205 -15.322 2.910 567 HA ARG 81 HA ARG 81 13.062 -15.917 0.254 568 HB2 ARG 81 1HB ARG 81 10.450 -15.350 1.659 569 HB3 ARG 81 2HB ARG 81 10.470 -15.248 -0.076 570 HG2 ARG 81 1HG ARG 81 11.138 -17.591 -0.272 571 HG3 ARG 81 2HG ARG 81 11.211 -17.716 1.504 572 HD2 ARG 81 1HD ARG 81 8.796 -16.893 1.553 573 HD3 ARG 81 2HD ARG 81 8.762 -17.153 -0.184 574 HE ARG 81 HE ARG 81 8.560 -19.058 1.960 575 HH11 ARG 81 1HH1 ARG 81 9.091 -18.694 -1.535 576 HH12 ARG 81 2HH1 ARG 81 8.647 -20.315 -1.862 577 HH21 ARG 81 1HH2 ARG 81 8.049 -21.222 1.470 578 HH22 ARG 81 2HH2 ARG 81 8.115 -21.807 -0.153 579 H TYR 82 H TYR 82 11.429 -12.975 1.567 580 HA TYR 82 HA TYR 82 11.556 -11.599 -0.944 581 HB2 TYR 82 1HB TYR 82 10.917 -10.812 1.912 582 HB3 TYR 82 2HB TYR 82 11.029 -9.610 0.636 583 HD1 TYR 82 1HD TYR 82 9.468 -13.110 0.481 584 HD2 TYR 82 2HD TYR 82 8.829 -8.840 0.423 585 HE1 TYR 82 1HE TYR 82 7.159 -13.469 -0.159 586 HE2 TYR 82 2HE TYR 82 6.485 -9.219 -0.220 587 HH TYR 82 HH TYR 82 5.410 -12.162 -1.535 588 H ARG 83 H ARG 83 13.799 -11.739 1.833 589 HA ARG 83 HA ARG 83 15.588 -9.726 0.718 590 HB2 ARG 83 1HB ARG 83 15.896 -11.815 2.888 591 HB3 ARG 83 2HB ARG 83 17.245 -10.849 2.332 592 HG2 ARG 83 1HG ARG 83 15.616 -8.793 2.774 593 HG3 ARG 83 2HG ARG 83 14.761 -9.982 3.751 594 HD2 ARG 83 1HD ARG 83 16.032 -9.478 5.431 595 HD3 ARG 83 2HD ARG 83 17.382 -10.285 4.639 596 HE ARG 83 HE ARG 83 16.878 -7.432 5.036 597 HH11 ARG 83 1HH1 ARG 83 18.462 -9.329 2.599 598 HH12 ARG 83 2HH1 ARG 83 19.944 -8.503 2.609 599 HH21 ARG 83 1HH2 ARG 83 18.651 -5.963 4.709 600 HH22 ARG 83 2HH2 ARG 83 19.964 -6.434 3.688 601 H ARG 84 H ARG 84 15.050 -13.102 -0.011 602 HA ARG 84 HA ARG 84 17.592 -13.328 -1.482 603 HB2 ARG 84 1HB ARG 84 15.326 -15.271 -0.853 604 HB3 ARG 84 2HB ARG 84 16.611 -15.641 -1.987 605 HG2 ARG 84 1HG ARG 84 18.266 -14.995 -0.079 606 HG3 ARG 84 2HG ARG 84 16.868 -15.133 0.987 607 HD2 ARG 84 1HD ARG 84 18.182 -17.144 0.984 608 HD3 ARG 84 2HD ARG 84 16.543 -17.455 0.380 609 HE ARG 84 HE ARG 84 18.246 -16.787 -1.812 610 HH11 ARG 84 1HH1 ARG 84 18.140 -19.534 0.510 611 HH12 ARG 84 2HH1 ARG 84 19.062 -20.521 -0.562 612 HH21 ARG 84 1HH2 ARG 84 19.450 -18.141 -3.088 613 HH22 ARG 84 2HH2 ARG 84 19.823 -19.775 -2.577 614 H ASP 85 H ASP 85 14.880 -11.641 -2.326 615 HA ASP 85 HA ASP 85 14.477 -12.920 -4.946 616 HB2 ASP 85 1HB ASP 85 12.652 -11.720 -3.638 617 HB3 ASP 85 2HB ASP 85 13.468 -10.207 -4.067 618 H TYR 86 H TYR 86 14.775 -11.772 -7.017 619 HA TYR 86 HA TYR 86 17.373 -10.505 -7.162 620 HB2 TYR 86 1HB TYR 86 16.277 -12.004 -8.875 621 HB3 TYR 86 2HB TYR 86 15.202 -10.668 -9.282 622 HD1 TYR 86 2HD TYR 86 18.828 -11.566 -8.998 623 HD2 TYR 86 1HD TYR 86 15.912 -9.016 -10.882 624 HE1 TYR 86 2HE TYR 86 20.573 -10.721 -10.514 625 HE2 TYR 86 1HE TYR 86 17.670 -8.143 -12.409 626 HH TYR 86 HH TYR 86 21.089 -9.223 -12.198 627 H PHE 87 H PHE 87 13.948 -9.375 -7.361 628 HA PHE 87 HA PHE 87 14.867 -6.611 -7.849 629 HB2 PHE 87 1HB PHE 87 13.184 -7.422 -9.347 630 HB3 PHE 87 2HB PHE 87 12.210 -8.047 -8.025 631 HD1 PHE 87 1HD PHE 87 13.732 -4.569 -7.946 632 HD2 PHE 87 2HD PHE 87 10.202 -6.983 -8.627 633 HE1 PHE 87 1HE PHE 87 12.347 -2.537 -7.981 634 HE2 PHE 87 2HE PHE 87 8.830 -4.936 -8.624 635 HZ PHE 87 HZ PHE 87 9.896 -2.696 -8.330 636 H TRP 88 H TRP 88 12.649 -8.406 -5.573 637 HA TRP 88 HA TRP 88 12.171 -6.053 -4.060 638 HB2 TRP 88 1HB TRP 88 11.771 -8.972 -3.393 639 HB3 TRP 88 2HB TRP 88 11.473 -7.719 -2.208 640 HD1 TRP 88 HD TRP 88 9.905 -9.318 -5.210 641 HE1 TRP 88 1HE TRP 88 7.577 -8.201 -5.702 642 HE3 TRP 88 3HE TRP 88 10.158 -5.366 -1.977 643 HZ2 TRP 88 2HZ TRP 88 6.091 -5.959 -4.795 644 HZ3 TRP 88 3HZ TRP 88 8.206 -3.864 -1.681 645 HH2 TRP 88 HH TRP 88 6.156 -4.177 -3.072 646 H GLN 89 H GLN 89 15.133 -7.900 -4.023 647 HA GLN 89 HA GLN 89 16.264 -7.223 -1.615 648 HB2 GLN 89 1HB GLN 89 17.129 -7.776 -4.417 649 HB3 GLN 89 2HB GLN 89 18.233 -6.774 -3.480 650 HG2 GLN 89 1HG GLN 89 17.955 -8.508 -1.605 651 HG3 GLN 89 2HG GLN 89 17.144 -9.531 -2.706 652 HE21 GLN 89 1HE2 GLN 89 18.328 -10.077 -4.688 653 HE22 GLN 89 2HE2 GLN 89 20.081 -10.352 -4.637 654 H THR 90 H THR 90 16.109 -5.049 -4.524 655 HA THR 90 HA THR 90 17.567 -2.998 -3.420 656 HB THR 90 HB THR 90 16.626 -3.075 -5.736 657 HG1 THR 90 1HG THR 90 16.003 -0.587 -5.428 658 HG21 THR 90 3HG2 THR 90 14.527 -2.231 -6.330 659 HG22 THR 90 1HG2 THR 90 14.186 -1.666 -4.680 660 HG23 THR 90 2HG2 THR 90 14.214 -3.406 -5.042 661 H TYR 91 H TYR 91 14.129 -3.609 -2.818 662 HA TYR 91 HA TYR 91 13.850 -1.338 -1.066 663 HB2 TYR 91 1HB TYR 91 12.000 -3.504 -2.054 664 HB3 TYR 91 2HB TYR 91 11.507 -2.392 -0.781 665 HD1 TYR 91 1HD TYR 91 11.952 0.151 -1.173 666 HD2 TYR 91 2HD TYR 91 11.741 -2.732 -4.399 667 HE1 TYR 91 1HE TYR 91 11.554 1.968 -2.773 668 HE2 TYR 91 2HE TYR 91 11.244 -0.893 -5.977 669 HH TYR 91 HH TYR 91 11.384 2.544 -5.045 670 H ALA 92 H ALA 92 15.636 -3.928 -0.301 671 HA ALA 92 HA ALA 92 14.411 -5.200 1.873 672 HB1 ALA 92 1HB ALA 92 16.680 -5.864 2.481 673 HB2 ALA 92 2HB ALA 92 16.453 -5.969 0.728 674 HB3 ALA 92 3HB ALA 92 17.368 -4.615 1.412 675 H ALA 93 H ALA 93 16.233 -2.190 1.661 676 HA ALA 93 HA ALA 93 16.894 -1.883 4.307 677 HB1 ALA 93 1HB ALA 93 16.384 0.298 2.251 678 HB2 ALA 93 2HB ALA 93 17.338 0.474 3.734 679 HB3 ALA 93 3HB ALA 93 17.904 -0.613 2.457 680 H TRP 94 H TRP 94 13.728 -1.885 3.244 681 HA TRP 94 HA TRP 94 12.782 -0.390 5.632 682 HB2 TRP 94 1HB TRP 94 11.469 -0.282 2.915 683 HB3 TRP 94 2HB TRP 94 11.057 0.641 4.334 684 HD1 TRP 94 HD TRP 94 12.616 2.666 5.033 685 HE1 TRP 94 1HE TRP 94 14.205 4.166 3.698 686 HE3 TRP 94 3HE TRP 94 13.168 -0.229 0.888 687 HZ2 TRP 94 2HZ TRP 94 15.723 4.009 1.240 688 HZ3 TRP 94 3HZ TRP 94 14.698 0.528 -0.998 689 HH2 TRP 94 HH TRP 94 15.933 2.616 -0.803 690 H ILE 95 H ILE 95 13.064 -3.452 4.603 691 HA ILE 95 HA ILE 95 10.202 -4.172 4.905 692 HB ILE 95 HB ILE 95 12.497 -5.925 3.987 693 HG12 ILE 95 1HG1 ILE 95 10.130 -4.807 2.388 694 HG13 ILE 95 2HG1 ILE 95 11.728 -4.092 2.390 695 HG21 ILE 95 1HG2 ILE 95 10.740 -7.233 5.126 696 HG22 ILE 95 2HG2 ILE 95 9.472 -6.378 4.212 697 HG23 ILE 95 3HG2 ILE 95 10.579 -7.485 3.400 698 HD11 ILE 95 3HD1 ILE 95 12.641 -6.344 1.594 699 HD12 ILE 95 1HD1 ILE 95 10.962 -6.807 1.293 700 HD13 ILE 95 2HD1 ILE 95 11.658 -5.416 0.441 701 H GLN 96 H GLN 96 9.463 -5.022 6.781 702 HA GLN 96 HA GLN 96 11.296 -6.298 8.716 703 HB2 GLN 96 1HB GLN 96 9.876 -5.035 10.483 704 HB3 GLN 96 2HB GLN 96 11.204 -4.217 9.656 705 HG2 GLN 96 1HG GLN 96 9.615 -2.987 8.277 706 HG3 GLN 96 2HG GLN 96 8.259 -3.909 8.943 707 HE21 GLN 96 1HE2 GLN 96 11.146 -2.408 10.582 708 HE22 GLN 96 2HE2 GLN 96 10.169 -1.426 11.648 709 HA PRO 97 HA PRO 97 7.872 -9.082 9.337 710 HB2 PRO 97 1HB PRO 97 7.802 -9.508 12.063 711 HB3 PRO 97 2HB PRO 97 8.971 -10.268 10.943 712 HG2 PRO 97 1HG PRO 97 9.351 -7.809 12.660 713 HG3 PRO 97 2HG PRO 97 10.479 -9.177 12.420 714 HD2 PRO 97 1HD PRO 97 10.740 -6.817 11.085 715 HD3 PRO 97 2HD PRO 97 11.131 -8.366 10.298 716 H MET 98 H MET 98 5.793 -9.256 9.967 717 HA MET 98 HA MET 98 4.300 -6.805 10.430 718 HB2 MET 98 1HB MET 98 2.431 -8.074 9.736 719 HB3 MET 98 2HB MET 98 3.786 -8.695 8.780 720 HG2 MET 98 1HG MET 98 3.943 -10.631 10.019 721 HG3 MET 98 2HG MET 98 2.815 -10.096 11.263 722 HE1 MET 98 3HE MET 98 2.878 -10.105 7.362 723 HE2 MET 98 1HE MET 98 1.407 -10.976 6.916 724 HE3 MET 98 2HE MET 98 1.305 -9.315 7.528 725 H GLU 99 H GLU 99 2.583 -6.742 12.233 726 HA GLU 99 HA GLU 99 3.432 -8.267 14.616 727 HB2 GLU 99 1HB GLU 99 2.546 -6.599 15.961 728 HB3 GLU 99 2HB GLU 99 3.660 -5.894 14.820 729 HG2 GLU 99 1HG GLU 99 1.228 -5.552 13.546 730 HG3 GLU 99 2HG GLU 99 0.793 -5.374 15.243 731 H GLN 100 H GLN 100 1.001 -7.999 16.009 732 HA GLN 100 HA GLN 100 -0.299 -10.331 14.710 733 HB2 GLN 100 1HB GLN 100 1.037 -10.743 16.803 734 HB3 GLN 100 2HB GLN 100 -0.056 -9.661 17.668 735 HG2 GLN 100 1HG GLN 100 -0.655 -11.939 18.147 736 HG3 GLN 100 2HG GLN 100 -1.949 -11.212 17.207 737 HE21 GLN 100 1HE2 GLN 100 -2.045 -11.746 14.904 738 HE22 GLN 100 2HE2 GLN 100 -1.279 -13.211 14.258 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -13.977 15.603 -8.005 2 HA2 GLY 1 1HA GLY 1 -13.454 13.954 -6.239 3 HA3 GLY 1 2HA GLY 1 -15.191 14.299 -6.359 4 H SER 2 H SER 2 -12.817 11.785 -6.442 5 HA SER 2 HA SER 2 -14.879 9.767 -6.947 6 HB2 SER 2 1HB SER 2 -12.353 9.265 -8.432 7 HB3 SER 2 2HB SER 2 -14.015 8.895 -8.864 8 HG SER 2 HG SER 2 -13.915 10.507 -10.168 9 H HIS 3 H HIS 3 -14.559 8.207 -5.303 10 HA HIS 3 HA HIS 3 -12.074 7.044 -4.628 11 HB2 HIS 3 1HB HIS 3 -11.945 9.380 -3.377 12 HB3 HIS 3 2HB HIS 3 -13.223 8.741 -2.367 13 HD1 HIS 3 1HD HIS 3 -9.500 8.000 -3.287 14 HD2 HIS 3 2HD HIS 3 -12.432 7.358 -0.303 15 HE1 HIS 3 1HE HIS 3 -8.306 6.951 -1.313 16 H GLU 4 H GLU 4 -12.464 5.186 -3.118 17 HA GLU 4 HA GLU 4 -15.306 4.521 -3.154 18 HB2 GLU 4 1HB GLU 4 -12.861 2.790 -2.781 19 HB3 GLU 4 2HB GLU 4 -14.532 2.220 -2.565 20 HG2 GLU 4 1HG GLU 4 -15.078 3.210 -4.839 21 HG3 GLU 4 2HG GLU 4 -13.349 3.458 -5.097 22 H GLY 5 H GLY 5 -14.794 6.543 -1.465 23 HA2 GLY 5 1HA GLY 5 -15.799 7.240 0.474 24 HA3 GLY 5 2HA GLY 5 -16.120 5.558 0.897 25 H GLU 6 H GLU 6 -13.484 4.562 0.912 26 HA GLU 6 HA GLU 6 -11.852 6.203 2.676 27 HB2 GLU 6 1HB GLU 6 -11.764 4.470 4.439 28 HB3 GLU 6 2HB GLU 6 -13.361 5.152 4.226 29 HG2 GLU 6 1HG GLU 6 -13.542 2.906 2.619 30 HG3 GLU 6 2HG GLU 6 -12.397 2.370 3.859 31 HA PRO 7 HA PRO 7 -8.885 4.266 0.245 32 HB2 PRO 7 1HB PRO 7 -6.554 4.389 1.645 33 HB3 PRO 7 2HB PRO 7 -7.457 5.859 1.165 34 HG2 PRO 7 1HG PRO 7 -7.578 4.421 3.850 35 HG3 PRO 7 2HG PRO 7 -7.336 6.161 3.540 36 HD2 PRO 7 1HD PRO 7 -9.753 5.082 4.134 37 HD3 PRO 7 2HD PRO 7 -9.593 6.452 3.006 38 H VAL 8 H VAL 8 -9.452 2.090 -0.217 39 HA VAL 8 HA VAL 8 -8.102 -0.008 1.354 40 HB VAL 8 HB VAL 8 -10.945 -0.475 0.405 41 HG11 VAL 8 1HG1 VAL 8 -9.679 -2.430 1.182 42 HG12 VAL 8 2HG1 VAL 8 -9.277 -1.601 2.706 43 HG13 VAL 8 3HG1 VAL 8 -10.950 -2.071 2.334 44 HG21 VAL 8 3HG2 VAL 8 -10.270 0.883 3.027 45 HG22 VAL 8 1HG2 VAL 8 -11.383 1.433 1.755 46 HG23 VAL 8 2HG2 VAL 8 -11.809 0.030 2.717 47 H VAL 9 H VAL 9 -8.256 -2.189 0.006 48 HA VAL 9 HA VAL 9 -7.574 -1.397 -2.766 49 HB VAL 9 HB VAL 9 -5.587 -1.961 -1.541 50 HG11 VAL 9 1HG1 VAL 9 -6.642 -4.683 -0.816 51 HG12 VAL 9 2HG1 VAL 9 -5.070 -3.966 -0.442 52 HG13 VAL 9 3HG1 VAL 9 -6.518 -3.307 0.310 53 HG21 VAL 9 3HG2 VAL 9 -6.087 -2.971 -3.933 54 HG22 VAL 9 1HG2 VAL 9 -4.634 -3.460 -3.072 55 HG23 VAL 9 2HG2 VAL 9 -6.081 -4.505 -3.097 56 H GLY 10 H GLY 10 -8.848 -2.105 -4.310 57 HA2 GLY 10 1HA GLY 10 -9.393 -4.988 -4.431 58 HA3 GLY 10 2HA GLY 10 -10.799 -3.897 -4.495 59 H MET 11 H MET 11 -7.728 -4.706 -6.049 60 HA MET 11 HA MET 11 -6.760 -4.430 -8.035 61 HB2 MET 11 1HB MET 11 -9.615 -4.657 -8.952 62 HB3 MET 11 2HB MET 11 -8.250 -4.569 -10.066 63 HG2 MET 11 1HG MET 11 -7.182 -6.484 -9.055 64 HG3 MET 11 2HG MET 11 -8.403 -6.579 -7.781 65 HE1 MET 11 3HE MET 11 -11.377 -8.333 -9.287 66 HE2 MET 11 1HE MET 11 -10.457 -7.875 -7.832 67 HE3 MET 11 2HE MET 11 -11.198 -6.622 -8.858 68 H ASP 12 H ASP 12 -9.162 -1.966 -7.566 69 HA ASP 12 HA ASP 12 -8.787 0.187 -9.019 70 HB2 ASP 12 1HB ASP 12 -9.647 1.278 -6.959 71 HB3 ASP 12 2HB ASP 12 -10.416 -0.257 -7.270 72 H LYS 13 H LYS 13 -6.010 -0.463 -8.999 73 HA LYS 13 HA LYS 13 -4.637 1.182 -6.981 74 HB2 LYS 13 1HB LYS 13 -3.561 -0.198 -9.482 75 HB3 LYS 13 2HB LYS 13 -2.587 0.667 -8.321 76 HG2 LYS 13 1HG LYS 13 -4.114 -1.942 -7.826 77 HG3 LYS 13 2HG LYS 13 -2.386 -1.700 -7.908 78 HD2 LYS 13 1HD LYS 13 -2.265 -1.320 -5.730 79 HD3 LYS 13 2HD LYS 13 -3.462 -0.033 -5.782 80 HE2 LYS 13 1HE LYS 13 -3.958 -3.021 -5.635 81 HE3 LYS 13 2HE LYS 13 -4.259 -1.830 -4.363 82 HZ1 LYS 13 3HZ LYS 13 -5.640 -1.671 -6.977 83 HZ2 LYS 13 1HZ LYS 13 -6.159 -1.024 -5.558 84 HZ3 LYS 13 2HZ LYS 13 -6.214 -2.616 -5.778 85 H SER 14 H SER 14 -6.084 2.992 -7.552 86 HA SER 14 HA SER 14 -4.374 5.050 -8.701 87 HB2 SER 14 1HB SER 14 -6.497 3.870 -10.291 88 HB3 SER 14 2HB SER 14 -6.881 5.556 -9.980 89 HG SER 14 HG SER 14 -5.219 6.193 -11.088 90 H LEU 15 H LEU 15 -6.507 4.092 -6.260 91 HA LEU 15 HA LEU 15 -7.691 6.807 -5.929 92 HB2 LEU 15 1HB LEU 15 -8.297 4.204 -4.543 93 HB3 LEU 15 2HB LEU 15 -9.218 5.687 -4.396 94 HG LEU 15 HG LEU 15 -8.957 4.006 -6.937 95 HD11 LEU 15 1HD1 LEU 15 -11.226 4.266 -4.930 96 HD12 LEU 15 2HD1 LEU 15 -10.223 2.834 -5.202 97 HD13 LEU 15 3HD1 LEU 15 -11.308 3.377 -6.479 98 HD21 LEU 15 3HD2 LEU 15 -10.853 5.425 -7.742 99 HD22 LEU 15 1HD2 LEU 15 -9.364 6.347 -7.499 100 HD23 LEU 15 2HD2 LEU 15 -10.669 6.453 -6.308 101 H PHE 16 H PHE 16 -5.087 4.966 -4.685 102 HA PHE 16 HA PHE 16 -5.567 5.199 -1.928 103 HB2 PHE 16 1HB PHE 16 -2.998 4.623 -3.464 104 HB3 PHE 16 2HB PHE 16 -3.148 4.524 -1.720 105 HD1 PHE 16 2HD PHE 16 -4.905 3.220 -4.832 106 HD2 PHE 16 1HD PHE 16 -3.731 2.494 -0.742 107 HE1 PHE 16 2HE PHE 16 -5.783 0.964 -4.994 108 HE2 PHE 16 1HE PHE 16 -4.707 0.207 -0.899 109 HZ PHE 16 HZ PHE 16 -5.706 -0.545 -3.083 110 H ALA 17 H ALA 17 -3.660 7.244 -4.094 111 HA ALA 17 HA ALA 17 -2.706 9.158 -2.201 112 HB1 ALA 17 1HB ALA 17 -2.417 10.521 -4.271 113 HB2 ALA 17 2HB ALA 17 -1.723 8.893 -4.405 114 HB3 ALA 17 3HB ALA 17 -3.274 9.266 -5.180 115 H GLY 18 H GLY 18 -5.475 8.531 -1.632 116 HA2 GLY 18 1HA GLY 18 -6.887 11.050 -2.326 117 HA3 GLY 18 2HA GLY 18 -7.689 9.520 -1.937 118 H ASN 19 H ASN 19 -6.034 8.875 0.436 119 HA ASN 19 HA ASN 19 -7.069 11.009 2.269 120 HB2 ASN 19 1HB ASN 19 -7.953 8.641 2.574 121 HB3 ASN 19 2HB ASN 19 -6.310 8.181 3.045 122 HD21 ASN 19 1HD2 ASN 19 -7.210 7.630 5.304 123 HD22 ASN 19 2HD2 ASN 19 -7.682 8.938 6.322 124 H THR 20 H THR 20 -5.709 11.616 4.058 125 HA THR 20 HA THR 20 -2.779 11.281 3.579 126 HB THR 20 HB THR 20 -2.657 13.631 4.438 127 HG1 THR 20 1HG THR 20 -5.121 14.401 3.759 128 HG21 THR 20 3HG2 THR 20 -4.338 13.301 1.924 129 HG22 THR 20 1HG2 THR 20 -2.589 13.074 2.037 130 HG23 THR 20 2HG2 THR 20 -3.277 14.672 2.356 131 H VAL 21 H VAL 21 -4.681 9.777 5.311 132 HA VAL 21 HA VAL 21 -3.447 10.151 7.962 133 HB VAL 21 HB VAL 21 -6.458 9.867 7.784 134 HG11 VAL 21 1HG1 VAL 21 -4.576 11.165 9.797 135 HG12 VAL 21 2HG1 VAL 21 -6.336 10.976 9.998 136 HG13 VAL 21 3HG1 VAL 21 -5.296 9.555 9.971 137 HG21 VAL 21 3HG2 VAL 21 -5.022 12.546 7.750 138 HG22 VAL 21 1HG2 VAL 21 -6.112 11.927 6.486 139 HG23 VAL 21 2HG2 VAL 21 -6.752 12.303 8.078 140 H ILE 22 H ILE 22 -3.394 8.153 5.648 141 HA ILE 22 HA ILE 22 -4.501 5.746 6.920 142 HB ILE 22 HB ILE 22 -5.179 5.812 4.723 143 HG12 ILE 22 1HG1 ILE 22 -2.700 4.112 4.652 144 HG13 ILE 22 2HG1 ILE 22 -4.074 3.768 5.696 145 HG21 ILE 22 1HG2 ILE 22 -3.894 6.150 2.710 146 HG22 ILE 22 2HG2 ILE 22 -3.654 7.561 3.731 147 HG23 ILE 22 3HG2 ILE 22 -2.395 6.313 3.626 148 HD11 ILE 22 3HD1 ILE 22 -4.335 2.432 3.726 149 HD12 ILE 22 1HD1 ILE 22 -5.579 3.660 3.742 150 HD13 ILE 22 2HD1 ILE 22 -4.175 3.845 2.663 151 H ARG 23 H ARG 23 -3.211 5.152 8.479 152 HA ARG 23 HA ARG 23 -0.294 5.443 8.200 153 HB2 ARG 23 1HB ARG 23 -2.151 5.864 10.529 154 HB3 ARG 23 2HB ARG 23 -0.525 5.214 10.826 155 HG2 ARG 23 1HG ARG 23 0.512 7.006 9.624 156 HG3 ARG 23 2HG ARG 23 -1.053 7.764 9.244 157 HD2 ARG 23 1HD ARG 23 -0.023 7.241 12.052 158 HD3 ARG 23 2HD ARG 23 0.376 8.716 11.168 159 HE ARG 23 HE ARG 23 -2.186 7.955 12.377 160 HH11 ARG 23 1HH1 ARG 23 -0.444 10.460 10.477 161 HH12 ARG 23 2HH1 ARG 23 -1.749 11.566 10.560 162 HH21 ARG 23 1HH2 ARG 23 -3.726 9.504 12.678 163 HH22 ARG 23 2HH2 ARG 23 -3.668 11.032 11.850 164 H GLU 24 H GLU 24 -2.452 3.190 7.569 165 HA GLU 24 HA GLU 24 -0.326 1.346 7.508 166 HB2 GLU 24 1HB GLU 24 -2.809 0.565 9.192 167 HB3 GLU 24 2HB GLU 24 -1.876 -0.639 8.320 168 HG2 GLU 24 1HG GLU 24 0.144 0.089 9.602 169 HG3 GLU 24 2HG GLU 24 -0.905 1.058 10.636 170 H ILE 25 H ILE 25 -0.686 -0.125 5.725 171 HA ILE 25 HA ILE 25 -3.426 -0.165 4.637 172 HB ILE 25 HB ILE 25 -1.202 -0.321 2.610 173 HG12 ILE 25 1HG1 ILE 25 -2.132 2.248 3.825 174 HG13 ILE 25 2HG1 ILE 25 -0.506 1.694 3.533 175 HG21 ILE 25 1HG2 ILE 25 -4.130 0.490 2.635 176 HG22 ILE 25 2HG2 ILE 25 -3.146 0.483 1.184 177 HG23 ILE 25 3HG2 ILE 25 -3.455 -1.028 2.047 178 HD11 ILE 25 3HD1 ILE 25 -0.800 2.011 1.107 179 HD12 ILE 25 1HD1 ILE 25 -2.472 2.578 1.378 180 HD13 ILE 25 2HD1 ILE 25 -1.125 3.505 2.016 181 H THR 26 H THR 26 -4.096 -2.243 4.645 182 HA THR 26 HA THR 26 -2.053 -4.401 4.615 183 HB THR 26 HB THR 26 -5.098 -4.541 4.782 184 HG1 THR 26 1HG THR 26 -4.000 -3.503 6.537 185 HG21 THR 26 3HG2 THR 26 -4.724 -6.823 5.549 186 HG22 THR 26 1HG2 THR 26 -2.954 -6.624 5.418 187 HG23 THR 26 2HG2 THR 26 -3.978 -6.638 3.958 188 H VAL 27 H VAL 27 -1.487 -5.236 2.612 189 HA VAL 27 HA VAL 27 -3.382 -4.978 0.354 190 HB VAL 27 HB VAL 27 -0.433 -5.149 -0.178 191 HG11 VAL 27 1HG1 VAL 27 -2.732 -3.878 -1.708 192 HG12 VAL 27 2HG1 VAL 27 -1.044 -3.904 -2.236 193 HG13 VAL 27 3HG1 VAL 27 -1.923 -5.413 -2.105 194 HG21 VAL 27 3HG2 VAL 27 -0.461 -3.212 1.258 195 HG22 VAL 27 1HG2 VAL 27 -0.287 -2.701 -0.423 196 HG23 VAL 27 2HG2 VAL 27 -1.879 -2.556 0.393 197 H GLN 28 H GLN 28 -2.887 -6.713 -1.278 198 HA GLN 28 HA GLN 28 -2.418 -9.264 0.105 199 HB2 GLN 28 1HB GLN 28 -4.795 -8.610 -1.696 200 HB3 GLN 28 2HB GLN 28 -4.550 -10.044 -0.708 201 HG2 GLN 28 1HG GLN 28 -4.758 -8.673 1.362 202 HG3 GLN 28 2HG GLN 28 -5.031 -7.230 0.380 203 HE21 GLN 28 1HE2 GLN 28 -6.479 -10.239 1.512 204 HE22 GLN 28 2HE2 GLN 28 -8.104 -9.806 1.006 205 HA PRO 29 HA PRO 29 -0.188 -10.073 -3.504 206 HB2 PRO 29 1HB PRO 29 -0.481 -12.738 -4.017 207 HB3 PRO 29 2HB PRO 29 0.427 -12.081 -2.608 208 HG2 PRO 29 1HG PRO 29 -2.342 -13.165 -2.726 209 HG3 PRO 29 2HG PRO 29 -1.106 -13.450 -1.458 210 HD2 PRO 29 1HD PRO 29 -3.116 -11.630 -1.139 211 HD3 PRO 29 2HD PRO 29 -1.497 -11.417 -0.414 212 H ASN 30 H ASN 30 -0.300 -10.512 -5.713 213 HA ASN 30 HA ASN 30 -1.209 -10.025 -7.788 214 HB2 ASN 30 1HB ASN 30 -3.227 -12.153 -7.080 215 HB3 ASN 30 2HB ASN 30 -2.517 -11.781 -8.654 216 HD21 ASN 30 1HD2 ASN 30 0.339 -11.710 -7.365 217 HD22 ASN 30 2HD2 ASN 30 0.670 -13.423 -7.392 218 H ILE 31 H ILE 31 -2.384 -8.065 -6.000 219 HA ILE 31 HA ILE 31 -5.162 -7.886 -7.056 220 HB ILE 31 HB ILE 31 -4.898 -8.488 -4.684 221 HG12 ILE 31 1HG1 ILE 31 -6.550 -5.965 -4.958 222 HG13 ILE 31 2HG1 ILE 31 -6.929 -7.370 -5.955 223 HG21 ILE 31 1HG2 ILE 31 -4.315 -5.543 -4.273 224 HG22 ILE 31 2HG2 ILE 31 -4.430 -6.820 -3.025 225 HG23 ILE 31 3HG2 ILE 31 -3.107 -6.794 -4.196 226 HD11 ILE 31 3HD1 ILE 31 -6.710 -7.458 -2.923 227 HD12 ILE 31 1HD1 ILE 31 -8.217 -7.366 -3.853 228 HD13 ILE 31 2HD1 ILE 31 -7.169 -8.794 -4.019 229 H GLY 32 H GLY 32 -2.479 -6.747 -8.075 230 HA2 GLY 32 1HA GLY 32 -3.136 -5.067 -9.847 231 HA3 GLY 32 2HA GLY 32 -3.390 -3.954 -8.495 232 H LEU 33 H LEU 33 -1.424 -3.784 -10.714 233 HA LEU 33 HA LEU 33 1.234 -4.120 -9.619 234 HB2 LEU 33 1HB LEU 33 0.582 -3.860 -12.075 235 HB3 LEU 33 2HB LEU 33 0.277 -2.168 -11.752 236 HG LEU 33 HG LEU 33 2.473 -2.315 -12.674 237 HD11 LEU 33 1HD1 LEU 33 3.298 -1.881 -9.969 238 HD12 LEU 33 2HD1 LEU 33 2.174 -0.831 -10.877 239 HD13 LEU 33 3HD1 LEU 33 3.782 -1.151 -11.512 240 HD21 LEU 33 3HD2 LEU 33 4.279 -3.688 -11.889 241 HD22 LEU 33 1HD2 LEU 33 2.910 -4.733 -12.255 242 HD23 LEU 33 2HD2 LEU 33 3.255 -4.282 -10.568 243 H LEU 34 H LEU 34 2.300 -2.704 -8.369 244 HA LEU 34 HA LEU 34 0.892 -0.444 -7.016 245 HB2 LEU 34 1HB LEU 34 3.576 -1.837 -6.555 246 HB3 LEU 34 2HB LEU 34 3.036 -0.394 -5.713 247 HG LEU 34 HG LEU 34 1.058 -2.586 -5.555 248 HD11 LEU 34 1HD1 LEU 34 3.779 -3.012 -4.233 249 HD12 LEU 34 2HD1 LEU 34 3.082 -4.022 -5.486 250 HD13 LEU 34 3HD1 LEU 34 2.298 -3.948 -3.914 251 HD21 LEU 34 3HD2 LEU 34 1.053 -1.932 -3.214 252 HD22 LEU 34 1HD2 LEU 34 1.093 -0.476 -4.234 253 HD23 LEU 34 2HD2 LEU 34 2.584 -1.027 -3.428 254 H TYR 35 H TYR 35 0.826 0.778 -9.090 255 HA TYR 35 HA TYR 35 3.208 0.981 -10.622 256 HB2 TYR 35 1HB TYR 35 2.024 1.990 -12.249 257 HB3 TYR 35 2HB TYR 35 0.798 1.038 -11.443 258 HD1 TYR 35 2HD TYR 35 -0.996 2.209 -10.135 259 HD2 TYR 35 1HD TYR 35 2.034 4.403 -12.295 260 HE1 TYR 35 2HE TYR 35 -2.380 4.293 -10.040 261 HE2 TYR 35 1HE TYR 35 0.726 6.446 -12.135 262 HH TYR 35 HH TYR 35 -1.273 7.391 -11.481 263 H ASP 36 H ASP 36 3.959 3.147 -11.522 264 HA ASP 36 HA ASP 36 5.175 4.576 -9.311 265 HB2 ASP 36 1HB ASP 36 6.424 3.936 -11.233 266 HB3 ASP 36 2HB ASP 36 5.350 4.848 -12.311 267 H GLY 37 H GLY 37 3.806 5.778 -8.258 268 HA2 GLY 37 1HA GLY 37 3.196 8.182 -8.107 269 HA3 GLY 37 2HA GLY 37 2.351 8.019 -9.639 270 H MET 38 H MET 38 1.667 5.195 -8.022 271 HA MET 38 HA MET 38 -1.036 5.658 -7.694 272 HB2 MET 38 1HB MET 38 0.650 3.540 -7.798 273 HB3 MET 38 2HB MET 38 0.359 3.548 -6.058 274 HG2 MET 38 1HG MET 38 -1.838 3.550 -8.093 275 HG3 MET 38 2HG MET 38 -1.004 2.077 -7.569 276 HE1 MET 38 3HE MET 38 -2.028 1.453 -3.989 277 HE2 MET 38 1HE MET 38 -1.251 0.822 -5.462 278 HE3 MET 38 2HE MET 38 -0.515 2.177 -4.574 279 H PHE 39 H PHE 39 1.552 5.886 -5.234 280 HA PHE 39 HA PHE 39 -0.423 6.606 -3.120 281 HB2 PHE 39 1HB PHE 39 2.535 5.971 -2.905 282 HB3 PHE 39 2HB PHE 39 1.436 6.239 -1.566 283 HD1 PHE 39 1HD PHE 39 -0.776 4.649 -1.636 284 HD2 PHE 39 2HD PHE 39 3.057 3.771 -3.340 285 HE1 PHE 39 1HE PHE 39 -1.229 2.231 -1.403 286 HE2 PHE 39 2HE PHE 39 2.698 1.387 -3.049 287 HZ PHE 39 HZ PHE 39 0.530 0.553 -2.077 288 H SER 40 H SER 40 0.721 8.445 -5.372 289 HA SER 40 HA SER 40 2.663 10.167 -4.055 290 HB2 SER 40 1HB SER 40 2.710 9.757 -6.478 291 HB3 SER 40 2HB SER 40 1.099 10.470 -6.651 292 HG SER 40 HG SER 40 1.972 12.468 -5.979 293 H GLY 41 H GLY 41 1.726 10.934 -2.199 294 HA2 GLY 41 1HA GLY 41 0.553 13.157 -1.625 295 HA3 GLY 41 2HA GLY 41 -0.856 12.432 -2.386 296 H CYS 42 H CYS 42 0.533 9.754 -0.959 297 HA CYS 42 HA CYS 42 -1.208 9.839 1.396 298 HB2 CYS 42 1HB CYS 42 0.953 7.852 0.547 299 HB3 CYS 42 2HB CYS 42 -0.228 7.616 1.839 300 HG CYS 42 HG CYS 42 -2.364 7.851 0.263 301 H THR 43 H THR 43 -0.127 11.935 2.136 302 HA THR 43 HA THR 43 2.569 12.031 2.813 303 HB THR 43 HB THR 43 1.649 14.142 4.111 304 HG1 THR 43 1HG THR 43 -0.422 14.250 4.134 305 HG21 THR 43 3HG2 THR 43 2.773 14.272 1.955 306 HG22 THR 43 1HG2 THR 43 1.307 15.260 1.887 307 HG23 THR 43 2HG2 THR 43 1.338 13.675 1.102 308 H ALA 44 H ALA 44 0.219 10.290 4.635 309 HA ALA 44 HA ALA 44 1.819 10.597 7.123 310 HB1 ALA 44 1HB ALA 44 -0.464 11.406 7.371 311 HB2 ALA 44 2HB ALA 44 -1.106 9.853 6.759 312 HB3 ALA 44 3HB ALA 44 -0.230 9.922 8.292 313 H LEU 45 H LEU 45 2.296 8.720 4.701 314 HA LEU 45 HA LEU 45 1.347 6.126 5.718 315 HB2 LEU 45 1HB LEU 45 1.621 6.988 3.232 316 HB3 LEU 45 2HB LEU 45 3.228 6.398 3.363 317 HG LEU 45 HG LEU 45 0.668 5.011 3.882 318 HD11 LEU 45 1HD1 LEU 45 0.536 5.332 1.608 319 HD12 LEU 45 2HD1 LEU 45 1.184 3.682 1.668 320 HD13 LEU 45 3HD1 LEU 45 2.260 5.054 1.377 321 HD21 LEU 45 3HD2 LEU 45 2.343 2.836 3.522 322 HD22 LEU 45 1HD2 LEU 45 0.898 3.138 4.512 323 HD23 LEU 45 2HD2 LEU 45 2.413 3.758 5.059 324 H GLU 46 H GLU 46 2.418 5.088 7.216 325 HA GLU 46 HA GLU 46 5.391 5.351 7.485 326 HB2 GLU 46 1HB GLU 46 3.331 4.878 9.680 327 HB3 GLU 46 2HB GLU 46 5.073 5.007 9.893 328 HG2 GLU 46 1HG GLU 46 5.007 7.385 9.191 329 HG3 GLU 46 2HG GLU 46 3.256 7.269 8.972 330 H LYS 47 H LYS 47 2.742 3.189 7.089 331 HA LYS 47 HA LYS 47 4.400 0.754 7.388 332 HB2 LYS 47 1HB LYS 47 1.979 1.526 9.056 333 HB3 LYS 47 2HB LYS 47 2.135 -0.128 8.507 334 HG2 LYS 47 1HG LYS 47 4.478 -0.100 9.657 335 HG3 LYS 47 2HG LYS 47 3.809 1.315 10.525 336 HD2 LYS 47 1HD LYS 47 1.796 0.022 11.082 337 HD3 LYS 47 2HD LYS 47 2.450 -1.413 10.258 338 HE2 LYS 47 1HE LYS 47 4.211 -1.567 11.944 339 HE3 LYS 47 2HE LYS 47 3.611 -0.085 12.725 340 HZ1 LYS 47 3HZ LYS 47 2.503 -1.674 13.904 341 HZ2 LYS 47 1HZ LYS 47 2.452 -2.762 12.712 342 HZ3 LYS 47 2HZ LYS 47 1.390 -1.495 12.678 343 H LEU 48 H LEU 48 3.611 -0.970 6.231 344 HA LEU 48 HA LEU 48 1.023 -0.984 4.876 345 HB2 LEU 48 1HB LEU 48 2.697 0.176 3.390 346 HB3 LEU 48 2HB LEU 48 3.758 -1.203 3.532 347 HG LEU 48 HG LEU 48 1.115 -2.104 2.678 348 HD11 LEU 48 1HD1 LEU 48 2.411 -0.008 0.900 349 HD12 LEU 48 2HD1 LEU 48 0.877 0.169 1.767 350 HD13 LEU 48 3HD1 LEU 48 1.038 -1.055 0.479 351 HD21 LEU 48 3HD2 LEU 48 3.198 -3.359 2.366 352 HD22 LEU 48 1HD2 LEU 48 3.827 -2.097 1.280 353 HD23 LEU 48 2HD2 LEU 48 2.402 -3.025 0.809 354 H ILE 49 H ILE 49 0.479 -3.267 4.519 355 HA ILE 49 HA ILE 49 2.299 -5.230 5.810 356 HB ILE 49 HB ILE 49 -0.708 -5.029 6.321 357 HG12 ILE 49 1HG1 ILE 49 0.460 -4.705 8.777 358 HG13 ILE 49 2HG1 ILE 49 1.631 -3.879 7.772 359 HG21 ILE 49 1HG2 ILE 49 -0.235 -6.747 8.063 360 HG22 ILE 49 2HG2 ILE 49 0.176 -7.344 6.460 361 HG23 ILE 49 3HG2 ILE 49 1.460 -6.793 7.560 362 HD11 ILE 49 3HD1 ILE 49 -0.185 -2.387 6.920 363 HD12 ILE 49 1HD1 ILE 49 -1.332 -3.247 7.972 364 HD13 ILE 49 2HD1 ILE 49 0.027 -2.324 8.675 365 H LEU 50 H LEU 50 2.255 -7.199 4.807 366 HA LEU 50 HA LEU 50 0.613 -7.328 2.259 367 HB2 LEU 50 1HB LEU 50 3.503 -8.097 2.716 368 HB3 LEU 50 2HB LEU 50 2.610 -8.453 1.247 369 HG LEU 50 HG LEU 50 3.194 -5.630 2.260 370 HD11 LEU 50 1HD1 LEU 50 4.763 -5.546 0.352 371 HD12 LEU 50 2HD1 LEU 50 4.415 -7.261 0.008 372 HD13 LEU 50 3HD1 LEU 50 5.215 -6.789 1.525 373 HD21 LEU 50 3HD2 LEU 50 2.586 -5.008 -0.068 374 HD22 LEU 50 1HD2 LEU 50 1.325 -5.306 1.131 375 HD23 LEU 50 2HD2 LEU 50 1.687 -6.553 -0.085 376 H THR 51 H THR 51 -0.868 -8.972 2.398 377 HA THR 51 HA THR 51 -0.439 -11.170 4.202 378 HB THR 51 HB THR 51 -2.686 -11.838 3.585 379 HG1 THR 51 1HG THR 51 -3.708 -11.035 1.906 380 HG21 THR 51 3HG2 THR 51 -2.566 -8.811 3.879 381 HG22 THR 51 1HG2 THR 51 -2.401 -9.967 5.216 382 HG23 THR 51 2HG2 THR 51 -3.914 -9.872 4.307 383 H GLY 52 H GLY 52 1.327 -11.052 1.664 384 HA2 GLY 52 1HA GLY 52 0.548 -13.677 0.423 385 HA3 GLY 52 2HA GLY 52 1.571 -12.503 -0.373 386 H GLU 53 H GLU 53 2.671 -14.942 -0.204 387 HA GLU 53 HA GLU 53 4.544 -14.907 2.106 388 HB2 GLU 53 1HB GLU 53 2.833 -17.186 1.065 389 HB3 GLU 53 2HB GLU 53 4.249 -17.431 2.090 390 HG2 GLU 53 1HG GLU 53 3.265 -15.939 3.822 391 HG3 GLU 53 2HG GLU 53 1.803 -15.791 2.846 392 H ASP 54 H ASP 54 4.730 -14.061 -0.889 393 HA ASP 54 HA ASP 54 7.441 -14.984 -1.203 394 HB2 ASP 54 1HB ASP 54 5.934 -16.829 -2.247 395 HB3 ASP 54 2HB ASP 54 5.514 -15.637 -3.469 396 HA PRO 55 HA PRO 55 7.312 -10.891 -2.993 397 HB2 PRO 55 1HB PRO 55 9.700 -10.867 -4.395 398 HB3 PRO 55 2HB PRO 55 9.526 -10.702 -2.622 399 HG2 PRO 55 1HG PRO 55 10.223 -13.192 -4.159 400 HG3 PRO 55 2HG PRO 55 10.957 -12.576 -2.663 401 HD2 PRO 55 1HD PRO 55 9.158 -14.507 -2.551 402 HD3 PRO 55 2HD PRO 55 9.209 -13.214 -1.329 403 H SER 56 H SER 56 7.738 -13.733 -5.027 404 HA SER 56 HA SER 56 7.049 -12.495 -7.555 405 HB2 SER 56 1HB SER 56 6.729 -15.352 -6.547 406 HB3 SER 56 2HB SER 56 6.381 -14.833 -8.195 407 HG SER 56 HG SER 56 8.885 -14.114 -7.169 408 H ALA 57 H ALA 57 5.117 -12.940 -4.693 409 HA ALA 57 HA ALA 57 2.608 -13.299 -6.116 410 HB1 ALA 57 1HB ALA 57 1.628 -13.391 -4.051 411 HB2 ALA 57 2HB ALA 57 3.201 -14.126 -3.765 412 HB3 ALA 57 3HB ALA 57 2.903 -12.450 -3.242 413 H TYR 58 H TYR 58 4.632 -10.651 -6.026 414 HA TYR 58 HA TYR 58 2.404 -8.703 -6.205 415 HB2 TYR 58 1HB TYR 58 4.911 -8.503 -4.487 416 HB3 TYR 58 2HB TYR 58 3.931 -7.111 -4.916 417 HD1 TYR 58 2HD TYR 58 4.001 -10.236 -2.934 418 HD2 TYR 58 1HD TYR 58 1.795 -6.659 -3.911 419 HE1 TYR 58 2HE TYR 58 2.544 -10.632 -1.007 420 HE2 TYR 58 1HE TYR 58 0.311 -7.035 -1.949 421 HH TYR 58 HH TYR 58 0.497 -10.000 0.030 422 H SER 59 H SER 59 3.288 -6.581 -7.046 423 HA SER 59 HA SER 59 5.702 -6.650 -8.643 424 HB2 SER 59 1HB SER 59 2.970 -6.378 -9.954 425 HB3 SER 59 2HB SER 59 4.517 -6.221 -10.779 426 HG SER 59 HG SER 59 4.536 -8.561 -9.537 427 H ALA 60 H ALA 60 6.264 -4.473 -9.343 428 HA ALA 60 HA ALA 60 4.663 -2.134 -8.396 429 HB1 ALA 60 1HB ALA 60 6.186 -2.777 -6.528 430 HB2 ALA 60 2HB ALA 60 7.556 -2.752 -7.668 431 HB3 ALA 60 3HB ALA 60 6.660 -1.262 -7.333 432 H GLY 61 H GLY 61 5.391 -0.181 -9.258 433 HA2 GLY 61 1HA GLY 61 6.403 -0.410 -12.014 434 HA3 GLY 61 2HA GLY 61 5.664 1.008 -11.215 435 H ASP 62 H ASP 62 7.567 2.052 -12.216 436 HA ASP 62 HA ASP 62 10.229 1.478 -11.336 437 HB2 ASP 62 1HB ASP 62 9.552 2.769 -13.415 438 HB3 ASP 62 2HB ASP 62 9.173 4.153 -12.368 439 H GLY 63 H GLY 63 7.599 3.274 -9.920 440 HA2 GLY 63 1HA GLY 63 9.280 4.117 -7.617 441 HA3 GLY 63 2HA GLY 63 8.101 5.179 -8.396 442 H LEU 64 H LEU 64 8.382 1.984 -6.855 443 HA LEU 64 HA LEU 64 5.755 1.165 -6.372 444 HB2 LEU 64 1HB LEU 64 7.495 -0.264 -5.656 445 HB3 LEU 64 2HB LEU 64 8.302 1.009 -4.725 446 HG LEU 64 HG LEU 64 6.424 0.956 -3.038 447 HD11 LEU 64 1HD1 LEU 64 4.622 0.058 -4.411 448 HD12 LEU 64 2HD1 LEU 64 4.918 -1.016 -3.042 449 HD13 LEU 64 3HD1 LEU 64 5.517 -1.448 -4.675 450 HD21 LEU 64 3HD2 LEU 64 8.388 -0.259 -2.526 451 HD22 LEU 64 1HD2 LEU 64 7.847 -1.618 -3.537 452 HD23 LEU 64 2HD2 LEU 64 6.945 -1.179 -2.039 453 H ARG 65 H ARG 65 7.707 3.644 -4.568 454 HA ARG 65 HA ARG 65 5.263 4.339 -2.989 455 HB2 ARG 65 1HB ARG 65 6.639 4.652 -1.036 456 HB3 ARG 65 2HB ARG 65 6.833 3.017 -1.648 457 HG2 ARG 65 1HG ARG 65 9.051 3.256 -1.810 458 HG3 ARG 65 2HG ARG 65 8.887 4.671 -2.827 459 HD2 ARG 65 1HD ARG 65 8.384 5.883 -0.504 460 HD3 ARG 65 2HD ARG 65 9.305 4.493 0.115 461 HE ARG 65 HE ARG 65 11.204 5.226 -0.903 462 HH11 ARG 65 1HH1 ARG 65 8.566 7.449 -1.815 463 HH12 ARG 65 2HH1 ARG 65 9.617 8.516 -2.702 464 HH21 ARG 65 1HH2 ARG 65 12.522 6.605 -2.036 465 HH22 ARG 65 2HH2 ARG 65 11.901 7.947 -2.975 466 H ASP 66 H ASP 66 6.474 5.554 -5.519 467 HA ASP 66 HA ASP 66 7.758 7.967 -5.028 468 HB2 ASP 66 1HB ASP 66 7.257 7.055 -7.286 469 HB3 ASP 66 2HB ASP 66 5.573 7.570 -7.113 470 H GLY 67 H GLY 67 7.285 9.779 -3.893 471 HA2 GLY 67 1HA GLY 67 6.079 11.492 -2.995 472 HA3 GLY 67 2HA GLY 67 4.679 10.932 -3.923 473 H ALA 68 H ALA 68 5.959 8.459 -1.897 474 HA ALA 68 HA ALA 68 4.682 9.361 0.577 475 HB1 ALA 68 1HB ALA 68 3.051 7.807 -0.462 476 HB2 ALA 68 2HB ALA 68 4.318 6.564 -0.591 477 HB3 ALA 68 3HB ALA 68 3.763 7.124 1.009 478 H ASP 69 H ASP 69 5.653 7.777 2.412 479 HA ASP 69 HA ASP 69 8.273 6.604 1.692 480 HB2 ASP 69 1HB ASP 69 8.738 9.005 2.007 481 HB3 ASP 69 2HB ASP 69 7.995 8.949 3.608 482 H PHE 70 H PHE 70 7.067 4.664 2.329 483 HA PHE 70 HA PHE 70 6.275 4.531 5.204 484 HB2 PHE 70 1HB PHE 70 4.283 3.301 4.467 485 HB3 PHE 70 2HB PHE 70 4.468 4.703 3.604 486 HD1 PHE 70 2HD PHE 70 5.419 1.013 3.235 487 HD2 PHE 70 1HD PHE 70 4.451 4.739 1.246 488 HE1 PHE 70 2HE PHE 70 5.232 -0.151 1.064 489 HE2 PHE 70 1HE PHE 70 4.222 3.525 -0.898 490 HZ PHE 70 HZ PHE 70 4.630 1.082 -0.995 491 H LEU 71 H LEU 71 5.995 2.250 5.917 492 HA LEU 71 HA LEU 71 8.401 0.608 5.259 493 HB2 LEU 71 1HB LEU 71 8.291 1.750 7.429 494 HB3 LEU 71 2HB LEU 71 6.795 0.872 7.812 495 HG LEU 71 HG LEU 71 8.075 -1.221 7.869 496 HD11 LEU 71 1HD1 LEU 71 10.593 0.485 7.956 497 HD12 LEU 71 2HD1 LEU 71 10.035 -0.303 6.478 498 HD13 LEU 71 3HD1 LEU 71 10.427 -1.286 7.915 499 HD21 LEU 71 3HD2 LEU 71 9.302 -0.552 10.028 500 HD22 LEU 71 1HD2 LEU 71 7.601 -0.067 9.893 501 HD23 LEU 71 2HD2 LEU 71 8.870 1.126 9.658 502 H ILE 72 H ILE 72 8.131 -1.647 5.562 503 HA ILE 72 HA ILE 72 5.526 -2.742 4.584 504 HB ILE 72 HB ILE 72 8.270 -3.441 3.603 505 HG12 ILE 72 1HG1 ILE 72 6.198 -1.830 2.053 506 HG13 ILE 72 2HG1 ILE 72 7.398 -1.005 3.038 507 HG21 ILE 72 1HG2 ILE 72 7.041 -4.499 1.703 508 HG22 ILE 72 2HG2 ILE 72 6.705 -5.249 3.239 509 HG23 ILE 72 3HG2 ILE 72 5.504 -4.156 2.507 510 HD11 ILE 72 3HD1 ILE 72 7.984 -2.828 0.716 511 HD12 ILE 72 1HD1 ILE 72 8.213 -1.074 0.826 512 HD13 ILE 72 2HD1 ILE 72 9.202 -2.162 1.832 513 H CYS 73 H CYS 73 4.725 -4.040 6.227 514 HA CYS 73 HA CYS 73 6.509 -5.737 7.794 515 HB2 CYS 73 1HB CYS 73 3.534 -5.241 8.144 516 HB3 CYS 73 2HB CYS 73 4.617 -5.951 9.346 517 HG CYS 73 HG CYS 73 5.779 -3.930 10.121 518 H VAL 74 H VAL 74 6.983 -7.742 7.000 519 HA VAL 74 HA VAL 74 4.816 -9.225 5.551 520 HB VAL 74 HB VAL 74 6.548 -10.263 4.228 521 HG11 VAL 74 1HG1 VAL 74 6.931 -7.241 4.321 522 HG12 VAL 74 2HG1 VAL 74 7.444 -8.297 3.028 523 HG13 VAL 74 3HG1 VAL 74 5.716 -8.166 3.367 524 HG21 VAL 74 3HG2 VAL 74 8.906 -9.685 4.324 525 HG22 VAL 74 1HG2 VAL 74 8.631 -8.625 5.725 526 HG23 VAL 74 2HG2 VAL 74 8.400 -10.380 5.863 527 HA PRO 75 HA PRO 75 5.216 -12.202 8.778 528 HB2 PRO 75 1HB PRO 75 4.903 -14.674 7.629 529 HB3 PRO 75 2HB PRO 75 3.567 -13.501 7.843 530 HG2 PRO 75 1HG PRO 75 5.198 -14.046 5.365 531 HG3 PRO 75 2HG PRO 75 3.429 -13.831 5.500 532 HD2 PRO 75 1HD PRO 75 5.141 -11.826 4.721 533 HD3 PRO 75 2HD PRO 75 3.635 -11.490 5.607 534 H GLU 76 H GLU 76 6.816 -13.510 9.795 535 HA GLU 76 HA GLU 76 9.478 -13.217 8.984 536 HB2 GLU 76 1HB GLU 76 9.983 -14.814 10.780 537 HB3 GLU 76 2HB GLU 76 8.813 -13.581 11.258 538 HG2 GLU 76 1HG GLU 76 6.969 -15.316 10.771 539 HG3 GLU 76 2HG GLU 76 8.259 -16.501 10.563 540 H GLU 77 H GLU 77 7.178 -15.779 8.190 541 HA GLU 77 HA GLU 77 8.924 -17.720 7.064 542 HB2 GLU 77 1HB GLU 77 5.998 -16.934 6.797 543 HB3 GLU 77 2HB GLU 77 6.717 -18.144 5.763 544 HG2 GLU 77 1HG GLU 77 7.546 -19.320 7.894 545 HG3 GLU 77 2HG GLU 77 6.397 -18.277 8.749 546 H ALA 78 H ALA 78 7.685 -14.623 5.805 547 HA ALA 78 HA ALA 78 8.637 -15.348 3.099 548 HB1 ALA 78 1HB ALA 78 6.366 -14.414 3.382 549 HB2 ALA 78 2HB ALA 78 7.085 -12.916 4.042 550 HB3 ALA 78 3HB ALA 78 7.407 -13.412 2.371 551 H LEU 79 H LEU 79 9.895 -13.905 5.897 552 HA LEU 79 HA LEU 79 10.755 -11.446 4.992 553 HB2 LEU 79 1HB LEU 79 10.687 -12.334 7.367 554 HB3 LEU 79 2HB LEU 79 12.232 -13.122 7.057 555 HG LEU 79 HG LEU 79 13.195 -10.815 6.517 556 HD11 LEU 79 1HD1 LEU 79 11.895 -8.852 7.415 557 HD12 LEU 79 2HD1 LEU 79 10.483 -9.914 7.616 558 HD13 LEU 79 3HD1 LEU 79 11.134 -9.580 6.003 559 HD21 LEU 79 3HD2 LEU 79 11.983 -11.253 9.276 560 HD22 LEU 79 1HD2 LEU 79 13.281 -10.101 8.909 561 HD23 LEU 79 2HD2 LEU 79 13.547 -11.854 8.708 562 H ASP 80 H ASP 80 12.735 -14.479 4.984 563 HA ASP 80 HA ASP 80 14.959 -13.071 3.712 564 HB2 ASP 80 1HB ASP 80 14.962 -15.173 5.312 565 HB3 ASP 80 2HB ASP 80 14.804 -16.069 3.806 566 H ARG 81 H ARG 81 12.267 -15.083 2.688 567 HA ARG 81 HA ARG 81 12.837 -15.557 -0.054 568 HB2 ARG 81 1HB ARG 81 10.420 -15.364 1.676 569 HB3 ARG 81 2HB ARG 81 10.128 -14.892 0.010 570 HG2 ARG 81 1HG ARG 81 10.966 -17.068 -0.768 571 HG3 ARG 81 2HG ARG 81 11.291 -17.554 0.903 572 HD2 ARG 81 1HD ARG 81 8.875 -17.263 1.452 573 HD3 ARG 81 2HD ARG 81 8.550 -16.812 -0.235 574 HE ARG 81 HE ARG 81 9.640 -19.155 -0.687 575 HH11 ARG 81 1HH1 ARG 81 7.125 -18.396 1.716 576 HH12 ARG 81 2HH1 ARG 81 6.734 -20.034 2.021 577 HH21 ARG 81 1HH2 ARG 81 9.055 -21.268 -0.404 578 HH22 ARG 81 2HH2 ARG 81 7.786 -21.751 0.692 579 H TYR 82 H TYR 82 11.217 -12.689 1.458 580 HA TYR 82 HA TYR 82 11.077 -11.175 -0.937 581 HB2 TYR 82 1HB TYR 82 11.008 -10.553 2.037 582 HB3 TYR 82 2HB TYR 82 11.099 -9.252 0.868 583 HD1 TYR 82 2HD TYR 82 9.054 -12.474 0.713 584 HD2 TYR 82 1HD TYR 82 9.065 -8.170 0.965 585 HE1 TYR 82 2HE TYR 82 6.619 -12.448 0.319 586 HE2 TYR 82 1HE TYR 82 6.642 -8.157 0.582 587 HH TYR 82 HH TYR 82 4.683 -10.403 1.079 588 H ARG 83 H ARG 83 13.678 -11.459 1.512 589 HA ARG 83 HA ARG 83 15.243 -9.275 0.482 590 HB2 ARG 83 1HB ARG 83 15.891 -11.620 2.285 591 HB3 ARG 83 2HB ARG 83 17.103 -10.445 1.790 592 HG2 ARG 83 1HG ARG 83 15.777 -8.591 2.738 593 HG3 ARG 83 2HG ARG 83 14.493 -9.713 3.189 594 HD2 ARG 83 1HD ARG 83 15.878 -9.202 5.146 595 HD3 ARG 83 2HD ARG 83 16.037 -10.907 4.700 596 HE ARG 83 HE ARG 83 17.997 -8.891 3.708 597 HH11 ARG 83 1HH1 ARG 83 17.452 -11.305 6.256 598 HH12 ARG 83 2HH1 ARG 83 19.021 -12.016 6.079 599 HH21 ARG 83 1HH2 ARG 83 20.087 -9.845 3.510 600 HH22 ARG 83 2HH2 ARG 83 20.655 -10.852 4.836 601 H ARG 84 H ARG 84 15.060 -12.679 -0.538 602 HA ARG 84 HA ARG 84 17.482 -12.343 -2.168 603 HB2 ARG 84 1HB ARG 84 17.404 -14.625 -2.646 604 HB3 ARG 84 2HB ARG 84 17.185 -14.359 -0.920 605 HG2 ARG 84 1HG ARG 84 14.734 -14.690 -1.223 606 HG3 ARG 84 2HG ARG 84 15.024 -15.064 -2.937 607 HD2 ARG 84 1HD ARG 84 16.640 -16.857 -2.045 608 HD3 ARG 84 2HD ARG 84 15.919 -16.559 -0.442 609 HE ARG 84 HE ARG 84 13.978 -16.971 -2.561 610 HH11 ARG 84 1HH1 ARG 84 15.774 -18.671 -0.043 611 HH12 ARG 84 2HH1 ARG 84 14.833 -20.132 -0.160 612 HH21 ARG 84 1HH2 ARG 84 12.656 -18.742 -2.624 613 HH22 ARG 84 2HH2 ARG 84 12.978 -20.140 -1.640 614 H ASP 85 H ASP 85 14.505 -11.122 -2.695 615 HA ASP 85 HA ASP 85 13.859 -11.967 -5.339 616 HB2 ASP 85 1HB ASP 85 12.360 -10.655 -3.757 617 HB3 ASP 85 2HB ASP 85 13.385 -9.259 -4.090 618 H TYR 86 H TYR 86 14.323 -10.990 -7.345 619 HA TYR 86 HA TYR 86 16.830 -9.803 -7.809 620 HB2 TYR 86 1HB TYR 86 15.208 -11.044 -9.393 621 HB3 TYR 86 2HB TYR 86 14.330 -9.537 -9.553 622 HD1 TYR 86 2HD TYR 86 17.443 -11.349 -10.283 623 HD2 TYR 86 1HD TYR 86 15.261 -7.693 -10.950 624 HE1 TYR 86 2HE TYR 86 18.924 -10.841 -12.176 625 HE2 TYR 86 1HE TYR 86 16.736 -7.168 -12.870 626 HH TYR 86 HH TYR 86 19.415 -9.374 -13.853 627 H PHE 87 H PHE 87 13.646 -8.192 -7.353 628 HA PHE 87 HA PHE 87 14.907 -5.572 -7.932 629 HB2 PHE 87 1HB PHE 87 13.007 -6.212 -9.285 630 HB3 PHE 87 2HB PHE 87 12.051 -6.545 -7.855 631 HD1 PHE 87 1HD PHE 87 11.067 -4.736 -6.498 632 HD2 PHE 87 2HD PHE 87 13.279 -3.928 -10.123 633 HE1 PHE 87 1HE PHE 87 9.998 -2.499 -6.663 634 HE2 PHE 87 2HE PHE 87 12.166 -1.713 -10.295 635 HZ PHE 87 HZ PHE 87 10.522 -1.005 -8.571 636 H TRP 88 H TRP 88 12.683 -7.165 -5.575 637 HA TRP 88 HA TRP 88 12.447 -4.937 -3.859 638 HB2 TRP 88 1HB TRP 88 12.052 -7.885 -3.234 639 HB3 TRP 88 2HB TRP 88 11.675 -6.598 -2.142 640 HD1 TRP 88 HD TRP 88 10.166 -8.496 -4.980 641 HE1 TRP 88 1HE TRP 88 7.757 -7.742 -5.302 642 HE3 TRP 88 3HE TRP 88 10.238 -4.383 -1.987 643 HZ2 TRP 88 2HZ TRP 88 6.073 -5.526 -4.460 644 HZ3 TRP 88 3HZ TRP 88 8.184 -3.073 -1.619 645 HH2 TRP 88 HH TRP 88 6.107 -3.601 -2.885 646 H GLN 89 H GLN 89 15.263 -7.080 -4.067 647 HA GLN 89 HA GLN 89 16.546 -6.707 -1.726 648 HB2 GLN 89 1HB GLN 89 17.256 -6.727 -4.658 649 HB3 GLN 89 2HB GLN 89 18.481 -6.036 -3.573 650 HG2 GLN 89 1HG GLN 89 18.380 -7.988 -2.160 651 HG3 GLN 89 2HG GLN 89 17.168 -8.743 -3.171 652 HE21 GLN 89 1HE2 GLN 89 17.728 -9.148 -5.439 653 HE22 GLN 89 2HE2 GLN 89 19.407 -9.297 -5.974 654 H THR 90 H THR 90 16.118 -4.076 -4.134 655 HA THR 90 HA THR 90 17.726 -2.256 -2.581 656 HB THR 90 HB THR 90 17.186 -1.983 -4.986 657 HG1 THR 90 1HG THR 90 17.044 0.249 -4.845 658 HG21 THR 90 3HG2 THR 90 15.158 -0.973 -5.740 659 HG22 THR 90 1HG2 THR 90 14.574 -0.751 -4.085 660 HG23 THR 90 2HG2 THR 90 14.687 -2.392 -4.771 661 H TYR 91 H TYR 91 14.172 -2.840 -2.630 662 HA TYR 91 HA TYR 91 13.660 -0.930 -0.583 663 HB2 TYR 91 1HB TYR 91 11.945 -3.094 -1.780 664 HB3 TYR 91 2HB TYR 91 11.348 -1.942 -0.587 665 HD1 TYR 91 2HD TYR 91 11.084 0.528 -1.141 666 HD2 TYR 91 1HD TYR 91 12.272 -2.398 -4.127 667 HE1 TYR 91 2HE TYR 91 10.778 2.180 -2.875 668 HE2 TYR 91 1HE TYR 91 11.958 -0.689 -5.882 669 HH TYR 91 HH TYR 91 11.526 1.563 -6.349 670 H ALA 92 H ALA 92 15.473 -3.577 -0.038 671 HA ALA 92 HA ALA 92 14.133 -5.106 1.938 672 HB1 ALA 92 1HB ALA 92 17.084 -4.568 1.479 673 HB2 ALA 92 2HB ALA 92 16.425 -5.831 2.532 674 HB3 ALA 92 3HB ALA 92 16.139 -5.905 0.786 675 H ALA 93 H ALA 93 15.836 -2.024 2.044 676 HA ALA 93 HA ALA 93 16.339 -1.812 4.767 677 HB1 ALA 93 1HB ALA 93 17.200 -0.198 3.112 678 HB2 ALA 93 2HB ALA 93 15.554 0.406 2.819 679 HB3 ALA 93 3HB ALA 93 16.330 0.645 4.397 680 H TRP 94 H TRP 94 13.233 -1.806 3.196 681 HA TRP 94 HA TRP 94 11.936 -0.671 5.610 682 HB2 TRP 94 1HB TRP 94 11.029 -0.669 2.713 683 HB3 TRP 94 2HB TRP 94 10.116 -0.010 4.059 684 HD1 TRP 94 HD TRP 94 11.231 2.133 5.360 685 HE1 TRP 94 1HE TRP 94 12.747 4.006 4.538 686 HE3 TRP 94 3HE TRP 94 12.774 -0.034 1.059 687 HZ2 TRP 94 2HZ TRP 94 14.483 4.464 2.225 688 HZ3 TRP 94 3HZ TRP 94 14.487 1.102 -0.438 689 HH2 TRP 94 HH TRP 94 15.331 3.328 0.172 690 H ILE 95 H ILE 95 12.627 -3.674 4.497 691 HA ILE 95 HA ILE 95 9.842 -4.703 4.763 692 HB ILE 95 HB ILE 95 12.309 -5.878 3.475 693 HG12 ILE 95 1HG1 ILE 95 9.530 -5.306 2.315 694 HG13 ILE 95 2HG1 ILE 95 10.792 -4.090 2.298 695 HG21 ILE 95 1HG2 ILE 95 9.547 -7.149 3.825 696 HG22 ILE 95 2HG2 ILE 95 10.911 -7.846 2.929 697 HG23 ILE 95 3HG2 ILE 95 11.006 -7.668 4.677 698 HD11 ILE 95 3HD1 ILE 95 11.023 -6.789 0.923 699 HD12 ILE 95 1HD1 ILE 95 10.669 -5.230 0.160 700 HD13 ILE 95 2HD1 ILE 95 12.232 -5.490 0.931 701 H GLN 96 H GLN 96 9.484 -4.731 6.899 702 HA GLN 96 HA GLN 96 11.487 -6.009 8.722 703 HB2 GLN 96 1HB GLN 96 9.881 -5.195 10.539 704 HB3 GLN 96 2HB GLN 96 10.819 -3.986 9.729 705 HG2 GLN 96 1HG GLN 96 8.921 -3.084 8.662 706 HG3 GLN 96 2HG GLN 96 8.021 -4.590 8.753 707 HE21 GLN 96 1HE2 GLN 96 7.634 -5.405 11.262 708 HE22 GLN 96 2HE2 GLN 96 7.220 -4.058 12.319 709 HA PRO 97 HA PRO 97 8.643 -9.475 9.074 710 HB2 PRO 97 1HB PRO 97 8.878 -10.232 11.667 711 HB3 PRO 97 2HB PRO 97 10.218 -10.434 10.503 712 HG2 PRO 97 1HG PRO 97 9.788 -8.125 12.441 713 HG3 PRO 97 2HG PRO 97 11.279 -9.081 12.233 714 HD2 PRO 97 1HD PRO 97 11.016 -6.753 11.026 715 HD3 PRO 97 2HD PRO 97 11.767 -8.075 10.141 716 H MET 98 H MET 98 6.596 -10.047 10.166 717 HA MET 98 HA MET 98 5.045 -7.808 11.329 718 HB2 MET 98 1HB MET 98 4.332 -10.666 10.511 719 HB3 MET 98 2HB MET 98 3.224 -9.607 11.379 720 HG2 MET 98 1HG MET 98 3.687 -7.924 9.456 721 HG3 MET 98 2HG MET 98 4.211 -9.329 8.564 722 HE1 MET 98 3HE MET 98 1.045 -10.800 7.229 723 HE2 MET 98 1HE MET 98 2.526 -9.936 6.764 724 HE3 MET 98 2HE MET 98 2.613 -11.344 7.857 725 H GLU 99 H GLU 99 3.655 -8.466 13.203 726 HA GLU 99 HA GLU 99 5.012 -10.137 15.273 727 HB2 GLU 99 1HB GLU 99 3.215 -7.691 15.574 728 HB3 GLU 99 2HB GLU 99 3.821 -8.679 16.900 729 HG2 GLU 99 1HG GLU 99 6.031 -7.760 15.182 730 HG3 GLU 99 2HG GLU 99 5.045 -6.419 15.740 731 H GLN 100 H GLN 100 2.694 -10.317 16.872 732 HA GLN 100 HA GLN 100 0.556 -11.313 15.128 733 HB2 GLN 100 1HB GLN 100 2.159 -13.200 16.098 734 HB3 GLN 100 2HB GLN 100 1.207 -12.972 17.570 735 HG2 GLN 100 1HG GLN 100 -0.870 -13.347 16.232 736 HG3 GLN 100 2HG GLN 100 0.126 -13.573 14.788 737 HE21 GLN 100 1HE2 GLN 100 1.914 -15.398 15.053 738 HE22 GLN 100 2HE2 GLN 100 1.301 -16.863 15.818 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -20.614 8.061 -12.960 2 HA2 GLY 1 1HA GLY 1 -20.967 6.830 -10.298 3 HA3 GLY 1 2HA GLY 1 -19.950 6.173 -11.604 4 H SER 2 H SER 2 -20.145 8.288 -8.904 5 HA SER 2 HA SER 2 -17.334 8.732 -8.777 6 HB2 SER 2 1HB SER 2 -19.309 11.047 -9.071 7 HB3 SER 2 2HB SER 2 -17.729 11.230 -8.303 8 HG SER 2 HG SER 2 -18.338 11.278 -10.892 9 H HIS 3 H HIS 3 -17.387 10.270 -6.462 10 HA HIS 3 HA HIS 3 -17.909 10.317 -4.271 11 HB2 HIS 3 1HB HIS 3 -20.753 9.718 -5.167 12 HB3 HIS 3 2HB HIS 3 -20.258 10.323 -3.597 13 HD1 HIS 3 1HD HIS 3 -22.300 12.044 -5.231 14 HD2 HIS 3 2HD HIS 3 -18.103 12.449 -5.315 15 HE1 HIS 3 1HE HIS 3 -21.808 14.458 -5.883 16 H GLU 4 H GLU 4 -16.794 7.965 -5.287 17 HA GLU 4 HA GLU 4 -17.233 6.313 -3.002 18 HB2 GLU 4 1HB GLU 4 -18.486 5.516 -5.527 19 HB3 GLU 4 2HB GLU 4 -17.204 4.381 -5.144 20 HG2 GLU 4 1HG GLU 4 -19.399 5.180 -3.193 21 HG3 GLU 4 2HG GLU 4 -19.487 3.793 -4.268 22 H GLY 5 H GLY 5 -15.436 4.807 -2.781 23 HA2 GLY 5 1HA GLY 5 -13.368 3.910 -3.888 24 HA3 GLY 5 2HA GLY 5 -13.009 5.566 -4.394 25 H GLU 6 H GLU 6 -13.318 3.418 -1.568 26 HA GLU 6 HA GLU 6 -12.099 5.257 0.328 27 HB2 GLU 6 1HB GLU 6 -13.930 3.744 0.954 28 HB3 GLU 6 2HB GLU 6 -13.115 2.380 0.203 29 HG2 GLU 6 1HG GLU 6 -12.920 2.082 2.502 30 HG3 GLU 6 2HG GLU 6 -11.341 2.492 1.866 31 HA PRO 7 HA PRO 7 -8.089 3.906 -1.090 32 HB2 PRO 7 1HB PRO 7 -6.381 4.767 0.829 33 HB3 PRO 7 2HB PRO 7 -7.429 5.914 -0.061 34 HG2 PRO 7 1HG PRO 7 -8.127 4.525 2.574 35 HG3 PRO 7 2HG PRO 7 -7.993 6.280 2.297 36 HD2 PRO 7 1HD PRO 7 -10.365 5.151 2.050 37 HD3 PRO 7 2HD PRO 7 -9.850 6.245 0.739 38 H VAL 8 H VAL 8 -9.083 1.598 -0.731 39 HA VAL 8 HA VAL 8 -7.320 0.053 1.140 40 HB VAL 8 HB VAL 8 -10.328 -0.194 0.810 41 HG11 VAL 8 1HG1 VAL 8 -8.476 -1.821 2.611 42 HG12 VAL 8 2HG1 VAL 8 -10.236 -1.943 2.513 43 HG13 VAL 8 3HG1 VAL 8 -9.253 -2.449 1.145 44 HG21 VAL 8 3HG2 VAL 8 -8.724 0.401 3.338 45 HG22 VAL 8 1HG2 VAL 8 -9.464 1.662 2.374 46 HG23 VAL 8 2HG2 VAL 8 -10.485 0.435 3.125 47 H VAL 9 H VAL 9 -6.749 -1.983 0.533 48 HA VAL 9 HA VAL 9 -6.716 -2.502 -2.340 49 HB VAL 9 HB VAL 9 -5.429 -4.096 -0.089 50 HG11 VAL 9 1HG1 VAL 9 -4.393 -5.363 -1.670 51 HG12 VAL 9 2HG1 VAL 9 -5.657 -4.836 -2.777 52 HG13 VAL 9 3HG1 VAL 9 -4.093 -4.025 -2.746 53 HG21 VAL 9 3HG2 VAL 9 -4.254 -1.868 -1.807 54 HG22 VAL 9 1HG2 VAL 9 -4.584 -1.770 -0.058 55 HG23 VAL 9 2HG2 VAL 9 -3.381 -2.883 -0.659 56 H GLY 10 H GLY 10 -8.777 -2.874 -2.864 57 HA2 GLY 10 1HA GLY 10 -9.701 -5.644 -2.453 58 HA3 GLY 10 2HA GLY 10 -10.860 -4.360 -2.302 59 H MET 11 H MET 11 -8.534 -5.812 -4.453 60 HA MET 11 HA MET 11 -8.278 -5.944 -6.662 61 HB2 MET 11 1HB MET 11 -10.587 -6.994 -5.785 62 HB3 MET 11 2HB MET 11 -11.224 -5.950 -7.067 63 HG2 MET 11 1HG MET 11 -9.560 -6.998 -8.630 64 HG3 MET 11 2HG MET 11 -9.000 -8.013 -7.316 65 HE1 MET 11 3HE MET 11 -9.378 -9.482 -9.679 66 HE2 MET 11 1HE MET 11 -9.311 -10.393 -8.154 67 HE3 MET 11 2HE MET 11 -10.553 -10.779 -9.359 68 H ASP 12 H ASP 12 -9.366 -2.855 -5.916 69 HA ASP 12 HA ASP 12 -8.844 -2.131 -8.768 70 HB2 ASP 12 1HB ASP 12 -11.187 -1.807 -7.916 71 HB3 ASP 12 2HB ASP 12 -10.570 -0.546 -6.847 72 H LYS 13 H LYS 13 -6.534 -1.893 -8.455 73 HA LYS 13 HA LYS 13 -5.560 0.072 -6.511 74 HB2 LYS 13 1HB LYS 13 -4.190 -1.418 -8.775 75 HB3 LYS 13 2HB LYS 13 -3.394 -0.284 -7.689 76 HG2 LYS 13 1HG LYS 13 -4.307 -3.092 -7.135 77 HG3 LYS 13 2HG LYS 13 -2.764 -2.355 -6.941 78 HD2 LYS 13 1HD LYS 13 -3.200 -2.069 -4.770 79 HD3 LYS 13 2HD LYS 13 -4.572 -1.039 -5.111 80 HE2 LYS 13 1HE LYS 13 -4.492 -4.062 -4.877 81 HE3 LYS 13 2HE LYS 13 -5.333 -2.904 -3.822 82 HZ1 LYS 13 3HZ LYS 13 -6.103 -3.444 -6.615 83 HZ2 LYS 13 1HZ LYS 13 -6.940 -2.546 -5.470 84 HZ3 LYS 13 2HZ LYS 13 -6.758 -4.168 -5.315 85 H SER 14 H SER 14 -7.251 1.575 -7.348 86 HA SER 14 HA SER 14 -5.751 3.499 -9.025 87 HB2 SER 14 1HB SER 14 -7.835 4.047 -10.224 88 HB3 SER 14 2HB SER 14 -7.374 2.357 -10.502 89 HG SER 14 HG SER 14 -9.148 1.732 -9.535 90 H LEU 15 H LEU 15 -7.708 2.862 -6.257 91 HA LEU 15 HA LEU 15 -8.285 5.703 -5.744 92 HB2 LEU 15 1HB LEU 15 -9.974 4.536 -4.090 93 HB3 LEU 15 2HB LEU 15 -10.345 5.022 -5.704 94 HG LEU 15 HG LEU 15 -9.358 2.263 -5.815 95 HD11 LEU 15 1HD1 LEU 15 -11.570 2.674 -3.807 96 HD12 LEU 15 2HD1 LEU 15 -9.965 1.980 -3.533 97 HD13 LEU 15 3HD1 LEU 15 -11.126 1.134 -4.578 98 HD21 LEU 15 3HD2 LEU 15 -10.743 3.519 -7.412 99 HD22 LEU 15 1HD2 LEU 15 -12.101 3.464 -6.272 100 HD23 LEU 15 2HD2 LEU 15 -11.456 1.950 -6.960 101 H PHE 16 H PHE 16 -6.227 6.065 -4.719 102 HA PHE 16 HA PHE 16 -6.134 5.091 -1.944 103 HB2 PHE 16 1HB PHE 16 -3.747 4.757 -3.809 104 HB3 PHE 16 2HB PHE 16 -3.640 4.773 -2.061 105 HD1 PHE 16 2HD PHE 16 -5.256 2.953 -4.920 106 HD2 PHE 16 1HD PHE 16 -4.175 2.967 -0.785 107 HE1 PHE 16 2HE PHE 16 -6.179 0.661 -4.669 108 HE2 PHE 16 1HE PHE 16 -4.907 0.578 -0.571 109 HZ PHE 16 HZ PHE 16 -5.941 -0.547 -2.552 110 H ALA 17 H ALA 17 -4.463 7.101 -4.364 111 HA ALA 17 HA ALA 17 -3.463 9.075 -2.502 112 HB1 ALA 17 1HB ALA 17 -3.676 9.014 -5.536 113 HB2 ALA 17 2HB ALA 17 -2.865 10.271 -4.580 114 HB3 ALA 17 3HB ALA 17 -2.252 8.618 -4.540 115 H GLY 18 H GLY 18 -5.326 9.821 -1.364 116 HA2 GLY 18 1HA GLY 18 -7.038 11.782 -2.581 117 HA3 GLY 18 2HA GLY 18 -7.890 10.230 -2.430 118 H ASN 19 H ASN 19 -6.819 9.277 0.024 119 HA ASN 19 HA ASN 19 -7.945 11.287 1.941 120 HB2 ASN 19 1HB ASN 19 -9.108 9.024 1.566 121 HB3 ASN 19 2HB ASN 19 -7.669 8.331 2.324 122 HD21 ASN 19 1HD2 ASN 19 -9.431 7.503 3.997 123 HD22 ASN 19 2HD2 ASN 19 -9.589 8.573 5.328 124 H THR 20 H THR 20 -6.748 11.996 3.627 125 HA THR 20 HA THR 20 -3.895 11.762 3.173 126 HB THR 20 HB THR 20 -4.113 13.987 4.488 127 HG1 THR 20 1HG THR 20 -5.942 14.447 5.303 128 HG21 THR 20 3HG2 THR 20 -5.823 13.705 1.968 129 HG22 THR 20 1HG2 THR 20 -4.057 13.889 1.999 130 HG23 THR 20 2HG2 THR 20 -5.093 15.194 2.600 131 H VAL 21 H VAL 21 -5.632 10.015 5.244 132 HA VAL 21 HA VAL 21 -3.980 10.506 7.680 133 HB VAL 21 HB VAL 21 -5.963 11.844 7.803 134 HG11 VAL 21 1HG1 VAL 21 -7.491 10.747 6.311 135 HG12 VAL 21 2HG1 VAL 21 -7.566 9.317 7.342 136 HG13 VAL 21 3HG1 VAL 21 -8.249 10.871 7.896 137 HG21 VAL 21 3HG2 VAL 21 -5.131 10.708 9.882 138 HG22 VAL 21 1HG2 VAL 21 -6.831 11.235 9.924 139 HG23 VAL 21 2HG2 VAL 21 -6.441 9.535 9.707 140 H ILE 22 H ILE 22 -4.051 8.394 5.511 141 HA ILE 22 HA ILE 22 -4.832 5.987 7.064 142 HB ILE 22 HB ILE 22 -5.970 5.972 5.081 143 HG12 ILE 22 1HG1 ILE 22 -3.531 4.174 4.744 144 HG13 ILE 22 2HG1 ILE 22 -4.887 3.884 5.845 145 HG21 ILE 22 1HG2 ILE 22 -3.461 6.272 3.363 146 HG22 ILE 22 2HG2 ILE 22 -5.164 6.316 2.848 147 HG23 ILE 22 3HG2 ILE 22 -4.497 7.651 3.756 148 HD11 ILE 22 3HD1 ILE 22 -6.430 3.723 3.955 149 HD12 ILE 22 1HD1 ILE 22 -5.111 4.091 2.816 150 HD13 ILE 22 2HD1 ILE 22 -5.051 2.608 3.767 151 H ARG 23 H ARG 23 -3.256 5.853 8.449 152 HA ARG 23 HA ARG 23 -0.463 6.323 7.816 153 HB2 ARG 23 1HB ARG 23 -1.914 5.210 10.230 154 HB3 ARG 23 2HB ARG 23 -0.164 5.410 10.164 155 HG2 ARG 23 1HG ARG 23 -0.345 7.818 9.802 156 HG3 ARG 23 2HG ARG 23 -2.114 7.720 9.798 157 HD2 ARG 23 1HD ARG 23 -0.295 6.986 12.131 158 HD3 ARG 23 2HD ARG 23 -1.243 8.475 11.976 159 HE ARG 23 HE ARG 23 -2.959 6.217 11.641 160 HH11 ARG 23 1HH1 ARG 23 -1.400 8.165 14.149 161 HH12 ARG 23 2HH1 ARG 23 -2.651 7.898 15.317 162 HH21 ARG 23 1HH2 ARG 23 -4.357 5.513 13.277 163 HH22 ARG 23 2HH2 ARG 23 -4.506 6.528 14.697 164 H GLU 24 H GLU 24 -2.637 3.613 7.462 165 HA GLU 24 HA GLU 24 -0.370 1.683 7.381 166 HB2 GLU 24 1HB GLU 24 -3.075 1.502 8.775 167 HB3 GLU 24 2HB GLU 24 -1.984 0.134 8.579 168 HG2 GLU 24 1HG GLU 24 -0.473 0.902 10.177 169 HG3 GLU 24 2HG GLU 24 -0.954 2.590 10.006 170 H ILE 25 H ILE 25 -0.384 0.732 5.368 171 HA ILE 25 HA ILE 25 -3.038 0.210 4.057 172 HB ILE 25 HB ILE 25 -0.310 0.890 2.965 173 HG12 ILE 25 1HG1 ILE 25 -2.270 2.597 3.530 174 HG13 ILE 25 2HG1 ILE 25 -1.251 2.810 2.137 175 HG21 ILE 25 1HG2 ILE 25 -1.077 0.386 0.689 176 HG22 ILE 25 2HG2 ILE 25 -0.991 -1.071 1.669 177 HG23 ILE 25 3HG2 ILE 25 -2.569 -0.369 1.349 178 HD11 ILE 25 3HD1 ILE 25 -3.567 3.216 1.570 179 HD12 ILE 25 1HD1 ILE 25 -2.918 1.875 0.648 180 HD13 ILE 25 2HD1 ILE 25 -4.002 1.545 2.023 181 H THR 26 H THR 26 -3.539 -1.883 3.694 182 HA THR 26 HA THR 26 -1.499 -4.007 4.177 183 HB THR 26 HB THR 26 -4.529 -3.934 4.585 184 HG1 THR 26 1HG THR 26 -3.407 -2.825 6.213 185 HG21 THR 26 3HG2 THR 26 -3.540 -6.242 3.981 186 HG22 THR 26 1HG2 THR 26 -4.432 -6.112 5.506 187 HG23 THR 26 2HG2 THR 26 -2.661 -6.119 5.529 188 H VAL 27 H VAL 27 -1.231 -5.456 2.336 189 HA VAL 27 HA VAL 27 -3.029 -5.129 0.010 190 HB VAL 27 HB VAL 27 -0.052 -5.449 -0.328 191 HG11 VAL 27 1HG1 VAL 27 -1.976 -3.952 -2.110 192 HG12 VAL 27 2HG1 VAL 27 -0.356 -4.546 -2.486 193 HG13 VAL 27 3HG1 VAL 27 -1.678 -5.694 -2.262 194 HG21 VAL 27 3HG2 VAL 27 -0.064 -3.455 1.026 195 HG22 VAL 27 1HG2 VAL 27 0.217 -2.993 -0.652 196 HG23 VAL 27 2HG2 VAL 27 -1.390 -2.764 0.067 197 H GLN 28 H GLN 28 -3.755 -7.149 -0.706 198 HA GLN 28 HA GLN 28 -2.410 -9.606 0.218 199 HB2 GLN 28 1HB GLN 28 -4.753 -9.509 -1.696 200 HB3 GLN 28 2HB GLN 28 -4.308 -10.751 -0.567 201 HG2 GLN 28 1HG GLN 28 -6.270 -9.846 0.283 202 HG3 GLN 28 2HG GLN 28 -4.990 -9.235 1.333 203 HE21 GLN 28 1HE2 GLN 28 -6.413 -7.396 1.989 204 HE22 GLN 28 2HE2 GLN 28 -6.766 -6.116 0.833 205 HA PRO 29 HA PRO 29 -0.185 -10.007 -3.598 206 HB2 PRO 29 1HB PRO 29 -0.251 -12.708 -4.135 207 HB3 PRO 29 2HB PRO 29 0.720 -11.974 -2.815 208 HG2 PRO 29 1HG PRO 29 -1.995 -13.310 -2.653 209 HG3 PRO 29 2HG PRO 29 -0.588 -13.503 -1.550 210 HD2 PRO 29 1HD PRO 29 -2.637 -11.899 -0.928 211 HD3 PRO 29 2HD PRO 29 -0.952 -11.466 -0.523 212 H ASN 30 H ASN 30 -0.291 -10.772 -5.866 213 HA ASN 30 HA ASN 30 -1.259 -10.725 -7.923 214 HB2 ASN 30 1HB ASN 30 -2.946 -12.864 -6.608 215 HB3 ASN 30 2HB ASN 30 -2.727 -12.653 -8.347 216 HD21 ASN 30 1HD2 ASN 30 -2.084 -15.008 -6.857 217 HD22 ASN 30 2HD2 ASN 30 -0.341 -15.266 -7.004 218 H ILE 31 H ILE 31 -2.417 -8.660 -6.296 219 HA ILE 31 HA ILE 31 -5.043 -8.410 -7.627 220 HB ILE 31 HB ILE 31 -5.247 -9.430 -5.446 221 HG12 ILE 31 1HG1 ILE 31 -6.634 -6.777 -5.315 222 HG13 ILE 31 2HG1 ILE 31 -6.920 -7.826 -6.701 223 HG21 ILE 31 1HG2 ILE 31 -4.927 -8.150 -3.391 224 HG22 ILE 31 2HG2 ILE 31 -3.437 -8.246 -4.302 225 HG23 ILE 31 3HG2 ILE 31 -4.366 -6.741 -4.328 226 HD11 ILE 31 3HD1 ILE 31 -8.549 -8.105 -4.762 227 HD12 ILE 31 1HD1 ILE 31 -7.770 -9.598 -5.369 228 HD13 ILE 31 2HD1 ILE 31 -7.197 -8.837 -3.863 229 H GLY 32 H GLY 32 -2.456 -7.168 -8.264 230 HA2 GLY 32 1HA GLY 32 -3.177 -5.515 -9.874 231 HA3 GLY 32 2HA GLY 32 -3.598 -4.437 -8.564 232 H LEU 33 H LEU 33 -2.015 -3.565 -10.576 233 HA LEU 33 HA LEU 33 0.808 -3.915 -9.963 234 HB2 LEU 33 1HB LEU 33 0.082 -3.726 -12.281 235 HB3 LEU 33 2HB LEU 33 -0.653 -2.144 -11.960 236 HG LEU 33 HG LEU 33 1.565 -1.155 -11.524 237 HD11 LEU 33 1HD1 LEU 33 3.630 -2.496 -12.070 238 HD12 LEU 33 2HD1 LEU 33 2.613 -3.958 -12.075 239 HD13 LEU 33 3HD1 LEU 33 2.834 -3.006 -10.584 240 HD21 LEU 33 3HD2 LEU 33 0.704 -1.178 -13.825 241 HD22 LEU 33 1HD2 LEU 33 1.459 -2.766 -14.113 242 HD23 LEU 33 2HD2 LEU 33 2.464 -1.334 -13.813 243 H LEU 34 H LEU 34 1.842 -2.766 -8.463 244 HA LEU 34 HA LEU 34 0.747 -0.307 -7.332 245 HB2 LEU 34 1HB LEU 34 3.255 -1.946 -6.826 246 HB3 LEU 34 2HB LEU 34 2.922 -0.418 -6.009 247 HG LEU 34 HG LEU 34 0.677 -2.339 -5.913 248 HD11 LEU 34 1HD1 LEU 34 1.698 -3.695 -4.017 249 HD12 LEU 34 2HD1 LEU 34 3.284 -3.165 -4.622 250 HD13 LEU 34 3HD1 LEU 34 2.198 -4.097 -5.655 251 HD21 LEU 34 3HD2 LEU 34 0.539 -1.643 -3.598 252 HD22 LEU 34 1HD2 LEU 34 0.835 -0.210 -4.606 253 HD23 LEU 34 2HD2 LEU 34 2.168 -0.925 -3.676 254 H TYR 35 H TYR 35 0.684 1.025 -9.231 255 HA TYR 35 HA TYR 35 3.065 1.502 -10.796 256 HB2 TYR 35 1HB TYR 35 1.756 3.292 -11.848 257 HB3 TYR 35 2HB TYR 35 0.948 1.753 -11.847 258 HD1 TYR 35 2HD TYR 35 1.006 5.084 -10.116 259 HD2 TYR 35 1HD TYR 35 -1.259 1.543 -11.033 260 HE1 TYR 35 2HE TYR 35 -1.035 6.200 -9.291 261 HE2 TYR 35 1HE TYR 35 -3.326 2.683 -10.282 262 HH TYR 35 HH TYR 35 -3.329 5.986 -8.885 263 H ASP 36 H ASP 36 3.854 3.840 -11.107 264 HA ASP 36 HA ASP 36 5.065 4.652 -8.624 265 HB2 ASP 36 1HB ASP 36 6.221 6.313 -10.004 266 HB3 ASP 36 2HB ASP 36 6.371 4.680 -10.650 267 H GLY 37 H GLY 37 4.392 6.092 -7.254 268 HA2 GLY 37 1HA GLY 37 3.286 7.875 -6.323 269 HA3 GLY 37 2HA GLY 37 2.856 8.439 -7.931 270 H MET 38 H MET 38 2.067 5.123 -6.836 271 HA MET 38 HA MET 38 -0.799 5.433 -6.906 272 HB2 MET 38 1HB MET 38 1.141 3.335 -6.130 273 HB3 MET 38 2HB MET 38 -0.153 3.485 -4.954 274 HG2 MET 38 1HG MET 38 -1.787 3.429 -6.948 275 HG3 MET 38 2HG MET 38 -0.402 2.902 -7.900 276 HE1 MET 38 3HE MET 38 -2.580 0.500 -4.584 277 HE2 MET 38 1HE MET 38 -1.544 1.866 -4.120 278 HE3 MET 38 2HE MET 38 -2.955 2.144 -5.158 279 H PHE 39 H PHE 39 1.720 5.982 -4.500 280 HA PHE 39 HA PHE 39 -0.265 6.784 -2.452 281 HB2 PHE 39 1HB PHE 39 2.675 6.068 -2.170 282 HB3 PHE 39 2HB PHE 39 1.518 6.305 -0.866 283 HD1 PHE 39 1HD PHE 39 -0.781 4.806 -1.264 284 HD2 PHE 39 2HD PHE 39 3.187 3.780 -2.650 285 HE1 PHE 39 1HE PHE 39 -1.455 2.448 -1.475 286 HE2 PHE 39 2HE PHE 39 2.514 1.435 -2.850 287 HZ PHE 39 HZ PHE 39 0.189 0.738 -2.278 288 H SER 40 H SER 40 0.645 8.554 -4.737 289 HA SER 40 HA SER 40 2.413 10.516 -3.572 290 HB2 SER 40 1HB SER 40 1.294 10.003 -6.169 291 HB3 SER 40 2HB SER 40 0.882 11.662 -5.708 292 HG SER 40 HG SER 40 2.963 12.142 -5.453 293 H GLY 41 H GLY 41 2.018 11.908 -2.086 294 HA2 GLY 41 1HA GLY 41 0.937 13.753 -1.162 295 HA3 GLY 41 2HA GLY 41 -0.500 13.411 -2.120 296 H CYS 42 H CYS 42 0.615 10.592 -0.436 297 HA CYS 42 HA CYS 42 -1.576 10.678 1.508 298 HB2 CYS 42 1HB CYS 42 0.769 8.745 1.289 299 HB3 CYS 42 2HB CYS 42 -0.737 8.554 2.217 300 HG CYS 42 HG CYS 42 -2.178 9.034 -0.136 301 H THR 43 H THR 43 -1.184 12.508 2.789 302 HA THR 43 HA THR 43 1.405 13.259 3.681 303 HB THR 43 HB THR 43 -0.210 15.075 4.790 304 HG1 THR 43 1HG THR 43 -2.115 15.228 3.576 305 HG21 THR 43 3HG2 THR 43 -0.290 16.258 2.627 306 HG22 THR 43 1HG2 THR 43 0.160 14.765 1.779 307 HG23 THR 43 2HG2 THR 43 1.294 15.527 2.912 308 H ALA 44 H ALA 44 -0.773 11.051 5.086 309 HA ALA 44 HA ALA 44 1.147 10.995 7.303 310 HB1 ALA 44 1HB ALA 44 -0.606 10.570 8.996 311 HB2 ALA 44 2HB ALA 44 -0.743 12.206 8.328 312 HB3 ALA 44 3HB ALA 44 -1.870 10.939 7.815 313 H LEU 45 H LEU 45 1.649 9.459 5.403 314 HA LEU 45 HA LEU 45 0.429 6.775 6.032 315 HB2 LEU 45 1HB LEU 45 -0.147 7.279 3.800 316 HB3 LEU 45 2HB LEU 45 1.490 7.828 3.421 317 HG LEU 45 HG LEU 45 2.315 5.476 3.693 318 HD11 LEU 45 1HD1 LEU 45 -0.627 4.716 3.918 319 HD12 LEU 45 2HD1 LEU 45 0.566 4.563 5.221 320 HD13 LEU 45 3HD1 LEU 45 0.743 3.603 3.752 321 HD21 LEU 45 3HD2 LEU 45 1.359 4.677 1.599 322 HD22 LEU 45 1HD2 LEU 45 1.684 6.413 1.509 323 HD23 LEU 45 2HD2 LEU 45 0.017 5.833 1.728 324 H GLU 46 H GLU 46 1.816 5.731 7.409 325 HA GLU 46 HA GLU 46 4.688 5.665 6.667 326 HB2 GLU 46 1HB GLU 46 3.809 6.156 9.510 327 HB3 GLU 46 2HB GLU 46 5.434 6.137 8.830 328 HG2 GLU 46 1HG GLU 46 4.794 8.141 7.390 329 HG3 GLU 46 2HG GLU 46 3.353 8.301 8.414 330 H LYS 47 H LYS 47 2.451 3.564 6.450 331 HA LYS 47 HA LYS 47 4.215 1.486 7.381 332 HB2 LYS 47 1HB LYS 47 1.607 1.951 8.841 333 HB3 LYS 47 2HB LYS 47 1.899 0.329 8.301 334 HG2 LYS 47 1HG LYS 47 4.354 1.058 9.476 335 HG3 LYS 47 2HG LYS 47 3.159 1.808 10.514 336 HD2 LYS 47 1HD LYS 47 2.029 -0.303 10.906 337 HD3 LYS 47 2HD LYS 47 2.960 -1.113 9.625 338 HE2 LYS 47 1HE LYS 47 5.040 -0.777 10.900 339 HE3 LYS 47 2HE LYS 47 4.122 -0.022 12.208 340 HZ1 LYS 47 3HZ LYS 47 3.947 -2.827 11.290 341 HZ2 LYS 47 1HZ LYS 47 2.898 -2.153 12.383 342 HZ3 LYS 47 2HZ LYS 47 4.507 -2.285 12.720 343 H LEU 48 H LEU 48 3.977 -0.378 6.248 344 HA LEU 48 HA LEU 48 1.662 -0.724 4.453 345 HB2 LEU 48 1HB LEU 48 3.909 0.118 3.428 346 HB3 LEU 48 2HB LEU 48 4.550 -1.400 3.802 347 HG LEU 48 HG LEU 48 3.844 -1.010 1.471 348 HD11 LEU 48 1HD1 LEU 48 2.287 -3.411 2.096 349 HD12 LEU 48 2HD1 LEU 48 3.918 -3.378 2.782 350 HD13 LEU 48 3HD1 LEU 48 3.676 -3.151 1.034 351 HD21 LEU 48 3HD2 LEU 48 1.599 -1.134 0.742 352 HD22 LEU 48 1HD2 LEU 48 1.708 0.111 1.997 353 HD23 LEU 48 2HD2 LEU 48 1.026 -1.475 2.399 354 H ILE 49 H ILE 49 1.155 -2.953 4.230 355 HA ILE 49 HA ILE 49 2.669 -4.974 5.796 356 HB ILE 49 HB ILE 49 -0.366 -4.525 5.909 357 HG12 ILE 49 1HG1 ILE 49 0.521 -4.575 8.521 358 HG13 ILE 49 2HG1 ILE 49 1.852 -3.772 7.722 359 HG21 ILE 49 1HG2 ILE 49 -0.429 -6.409 7.482 360 HG22 ILE 49 2HG2 ILE 49 0.247 -6.980 5.963 361 HG23 ILE 49 3HG2 ILE 49 1.319 -6.619 7.322 362 HD11 ILE 49 3HD1 ILE 49 -1.036 -2.838 7.643 363 HD12 ILE 49 1HD1 ILE 49 0.264 -2.175 8.662 364 HD13 ILE 49 2HD1 ILE 49 0.356 -2.001 6.912 365 H LEU 50 H LEU 50 2.674 -6.992 4.683 366 HA LEU 50 HA LEU 50 0.937 -7.196 2.249 367 HB2 LEU 50 1HB LEU 50 3.808 -8.201 2.600 368 HB3 LEU 50 2HB LEU 50 2.814 -8.512 1.203 369 HG LEU 50 HG LEU 50 3.903 -5.804 2.069 370 HD11 LEU 50 1HD1 LEU 50 5.193 -5.952 -0.027 371 HD12 LEU 50 2HD1 LEU 50 4.485 -7.556 -0.365 372 HD13 LEU 50 3HD1 LEU 50 5.559 -7.326 1.020 373 HD21 LEU 50 3HD2 LEU 50 2.137 -6.554 -0.297 374 HD22 LEU 50 1HD2 LEU 50 2.966 -4.996 -0.105 375 HD23 LEU 50 2HD2 LEU 50 1.718 -5.469 1.029 376 H THR 51 H THR 51 -0.582 -8.637 2.700 377 HA THR 51 HA THR 51 0.075 -11.057 4.233 378 HB THR 51 HB THR 51 -1.708 -9.815 5.108 379 HG1 THR 51 1HG THR 51 -2.092 -11.929 5.385 380 HG21 THR 51 3HG2 THR 51 -2.899 -9.937 2.347 381 HG22 THR 51 1HG2 THR 51 -2.603 -8.537 3.380 382 HG23 THR 51 2HG2 THR 51 -3.893 -9.654 3.794 383 H GLY 52 H GLY 52 1.487 -11.315 2.260 384 HA2 GLY 52 1HA GLY 52 0.362 -13.580 0.774 385 HA3 GLY 52 2HA GLY 52 1.334 -12.374 -0.108 386 H GLU 53 H GLU 53 2.448 -14.809 -0.103 387 HA GLU 53 HA GLU 53 4.391 -14.923 2.152 388 HB2 GLU 53 1HB GLU 53 2.571 -17.049 1.008 389 HB3 GLU 53 2HB GLU 53 4.022 -17.465 1.931 390 HG2 GLU 53 1HG GLU 53 3.207 -16.284 3.893 391 HG3 GLU 53 2HG GLU 53 1.811 -15.665 3.008 392 H ASP 54 H ASP 54 4.381 -14.257 -1.070 393 HA ASP 54 HA ASP 54 7.105 -15.353 -1.366 394 HB2 ASP 54 1HB ASP 54 5.402 -16.995 -2.376 395 HB3 ASP 54 2HB ASP 54 4.965 -15.714 -3.498 396 HA PRO 55 HA PRO 55 7.487 -11.235 -2.858 397 HB2 PRO 55 1HB PRO 55 9.851 -11.411 -4.343 398 HB3 PRO 55 2HB PRO 55 9.744 -11.281 -2.572 399 HG2 PRO 55 1HG PRO 55 10.088 -13.737 -4.312 400 HG3 PRO 55 2HG PRO 55 10.899 -13.379 -2.760 401 HD2 PRO 55 1HD PRO 55 8.838 -15.071 -2.852 402 HD3 PRO 55 2HD PRO 55 9.031 -13.930 -1.500 403 H SER 56 H SER 56 7.584 -13.852 -5.304 404 HA SER 56 HA SER 56 7.372 -12.000 -7.534 405 HB2 SER 56 1HB SER 56 6.777 -14.974 -7.414 406 HB3 SER 56 2HB SER 56 7.017 -14.001 -8.870 407 HG SER 56 HG SER 56 9.141 -13.514 -8.058 408 H ALA 57 H ALA 57 5.090 -13.247 -5.239 409 HA ALA 57 HA ALA 57 2.721 -13.208 -6.883 410 HB1 ALA 57 1HB ALA 57 3.115 -14.530 -4.754 411 HB2 ALA 57 2HB ALA 57 2.950 -13.000 -3.858 412 HB3 ALA 57 3HB ALA 57 1.605 -13.619 -4.841 413 H TYR 58 H TYR 58 4.434 -10.641 -6.696 414 HA TYR 58 HA TYR 58 2.289 -8.714 -6.250 415 HB2 TYR 58 1HB TYR 58 4.958 -8.750 -4.761 416 HB3 TYR 58 2HB TYR 58 4.058 -7.270 -5.004 417 HD1 TYR 58 1HD TYR 58 1.733 -7.004 -4.042 418 HD2 TYR 58 2HD TYR 58 4.284 -10.339 -3.027 419 HE1 TYR 58 1HE TYR 58 0.397 -7.398 -2.019 420 HE2 TYR 58 2HE TYR 58 2.930 -10.754 -1.000 421 HH TYR 58 HH TYR 58 0.175 -8.652 -0.035 422 H SER 59 H SER 59 3.162 -6.478 -7.107 423 HA SER 59 HA SER 59 5.414 -6.712 -8.947 424 HB2 SER 59 1HB SER 59 2.777 -5.401 -9.728 425 HB3 SER 59 2HB SER 59 4.226 -5.611 -10.723 426 HG SER 59 HG SER 59 3.796 -7.944 -10.529 427 H ALA 60 H ALA 60 6.134 -4.452 -9.528 428 HA ALA 60 HA ALA 60 4.791 -2.185 -8.302 429 HB1 ALA 60 1HB ALA 60 6.874 -1.249 -7.403 430 HB2 ALA 60 2HB ALA 60 6.423 -2.741 -6.527 431 HB3 ALA 60 3HB ALA 60 7.737 -2.754 -7.719 432 H GLY 61 H GLY 61 5.724 -0.213 -9.360 433 HA2 GLY 61 1HA GLY 61 6.895 -0.639 -12.041 434 HA3 GLY 61 2HA GLY 61 6.151 0.846 -11.408 435 H ASP 62 H ASP 62 8.076 2.020 -11.885 436 HA ASP 62 HA ASP 62 10.687 1.240 -11.042 437 HB2 ASP 62 1HB ASP 62 9.423 3.497 -12.433 438 HB3 ASP 62 2HB ASP 62 10.631 4.070 -11.299 439 H GLY 63 H GLY 63 8.071 2.741 -9.307 440 HA2 GLY 63 1HA GLY 63 9.802 3.419 -6.992 441 HA3 GLY 63 2HA GLY 63 8.853 4.685 -7.789 442 H LEU 64 H LEU 64 8.578 1.447 -6.402 443 HA LEU 64 HA LEU 64 5.901 0.990 -6.126 444 HB2 LEU 64 1HB LEU 64 7.541 -0.582 -5.424 445 HB3 LEU 64 2HB LEU 64 8.191 0.480 -4.192 446 HG LEU 64 HG LEU 64 6.290 0.201 -2.766 447 HD11 LEU 64 1HD1 LEU 64 4.413 -1.264 -3.262 448 HD12 LEU 64 2HD1 LEU 64 4.953 -1.395 -4.961 449 HD13 LEU 64 3HD1 LEU 64 4.411 0.169 -4.281 450 HD21 LEU 64 3HD2 LEU 64 7.961 -1.588 -2.694 451 HD22 LEU 64 1HD2 LEU 64 7.170 -2.425 -4.039 452 HD23 LEU 64 2HD2 LEU 64 6.358 -2.303 -2.466 453 H ARG 65 H ARG 65 7.836 2.647 -3.643 454 HA ARG 65 HA ARG 65 5.416 3.697 -2.286 455 HB2 ARG 65 1HB ARG 65 7.001 4.330 -0.500 456 HB3 ARG 65 2HB ARG 65 7.049 2.629 -0.851 457 HG2 ARG 65 1HG ARG 65 9.242 2.699 -1.522 458 HG3 ARG 65 2HG ARG 65 8.994 4.102 -2.531 459 HD2 ARG 65 1HD ARG 65 8.887 5.355 -0.166 460 HD3 ARG 65 2HD ARG 65 9.820 3.908 0.325 461 HE ARG 65 HE ARG 65 11.592 4.626 -0.878 462 HH11 ARG 65 1HH1 ARG 65 8.878 6.854 -1.684 463 HH12 ARG 65 2HH1 ARG 65 9.820 7.666 -2.908 464 HH21 ARG 65 1HH2 ARG 65 12.779 5.878 -2.313 465 HH22 ARG 65 2HH2 ARG 65 12.180 7.346 -2.984 466 H ASP 66 H ASP 66 6.641 4.803 -5.018 467 HA ASP 66 HA ASP 66 7.854 7.272 -4.351 468 HB2 ASP 66 1HB ASP 66 7.943 6.406 -6.622 469 HB3 ASP 66 2HB ASP 66 6.177 6.554 -6.772 470 H GLY 67 H GLY 67 7.018 9.337 -4.058 471 HA2 GLY 67 1HA GLY 67 5.390 10.928 -3.590 472 HA3 GLY 67 2HA GLY 67 4.159 9.699 -3.880 473 H ALA 68 H ALA 68 5.913 8.015 -1.791 474 HA ALA 68 HA ALA 68 5.393 9.473 0.736 475 HB1 ALA 68 1HB ALA 68 4.573 6.584 0.211 476 HB2 ALA 68 2HB ALA 68 4.375 7.485 1.734 477 HB3 ALA 68 3HB ALA 68 3.437 7.954 0.307 478 H ASP 69 H ASP 69 6.344 7.812 2.544 479 HA ASP 69 HA ASP 69 8.613 6.238 1.681 480 HB2 ASP 69 1HB ASP 69 9.607 8.503 1.724 481 HB3 ASP 69 2HB ASP 69 9.119 8.681 3.412 482 H PHE 70 H PHE 70 7.849 4.469 2.705 483 HA PHE 70 HA PHE 70 7.282 4.549 5.600 484 HB2 PHE 70 1HB PHE 70 5.222 3.195 5.192 485 HB3 PHE 70 2HB PHE 70 5.135 4.835 4.611 486 HD1 PHE 70 1HD PHE 70 6.085 1.382 3.344 487 HD2 PHE 70 2HD PHE 70 4.274 5.209 2.452 488 HE1 PHE 70 1HE PHE 70 5.484 0.591 1.138 489 HE2 PHE 70 2HE PHE 70 3.609 4.356 0.212 490 HZ PHE 70 HZ PHE 70 4.184 2.008 -0.445 491 H LEU 71 H LEU 71 7.053 2.265 6.429 492 HA LEU 71 HA LEU 71 9.126 0.496 5.208 493 HB2 LEU 71 1HB LEU 71 7.827 0.494 7.964 494 HB3 LEU 71 2HB LEU 71 9.056 -0.638 7.429 495 HG LEU 71 HG LEU 71 9.461 2.361 7.848 496 HD11 LEU 71 1HD1 LEU 71 11.028 1.620 9.614 497 HD12 LEU 71 2HD1 LEU 71 10.581 -0.077 9.316 498 HD13 LEU 71 3HD1 LEU 71 9.391 1.076 9.949 499 HD21 LEU 71 3HD2 LEU 71 10.813 1.676 6.004 500 HD22 LEU 71 1HD2 LEU 71 11.323 0.194 6.849 501 HD23 LEU 71 2HD2 LEU 71 11.867 1.822 7.401 502 H ILE 72 H ILE 72 8.820 -1.690 5.016 503 HA ILE 72 HA ILE 72 6.057 -2.517 4.317 504 HB ILE 72 HB ILE 72 8.687 -3.541 3.306 505 HG12 ILE 72 1HG1 ILE 72 6.803 -1.612 1.885 506 HG13 ILE 72 2HG1 ILE 72 8.431 -1.273 2.504 507 HG21 ILE 72 1HG2 ILE 72 5.916 -3.906 2.067 508 HG22 ILE 72 2HG2 ILE 72 7.381 -4.850 1.727 509 HG23 ILE 72 3HG2 ILE 72 6.534 -5.069 3.249 510 HD11 ILE 72 3HD1 ILE 72 8.649 -1.651 0.170 511 HD12 ILE 72 1HD1 ILE 72 9.302 -3.068 0.938 512 HD13 ILE 72 2HD1 ILE 72 7.665 -3.123 0.228 513 H CYS 73 H CYS 73 5.175 -3.553 6.012 514 HA CYS 73 HA CYS 73 6.756 -5.523 7.557 515 HB2 CYS 73 1HB CYS 73 3.760 -5.124 7.624 516 HB3 CYS 73 2HB CYS 73 4.800 -5.869 8.852 517 HG CYS 73 HG CYS 73 4.578 -2.759 7.818 518 H VAL 74 H VAL 74 6.876 -7.747 7.030 519 HA VAL 74 HA VAL 74 4.845 -8.958 5.240 520 HB VAL 74 HB VAL 74 6.549 -10.074 3.932 521 HG11 VAL 74 1HG1 VAL 74 7.481 -8.304 2.630 522 HG12 VAL 74 2HG1 VAL 74 5.874 -7.791 3.200 523 HG13 VAL 74 3HG1 VAL 74 7.324 -7.152 3.977 524 HG21 VAL 74 3HG2 VAL 74 8.329 -10.375 5.549 525 HG22 VAL 74 1HG2 VAL 74 8.952 -9.539 4.117 526 HG23 VAL 74 2HG2 VAL 74 8.628 -8.625 5.606 527 HA PRO 75 HA PRO 75 5.047 -11.897 8.454 528 HB2 PRO 75 1HB PRO 75 4.547 -14.374 7.385 529 HB3 PRO 75 2HB PRO 75 3.330 -13.070 7.426 530 HG2 PRO 75 1HG PRO 75 5.130 -13.869 5.133 531 HG3 PRO 75 2HG PRO 75 3.375 -13.535 5.087 532 HD2 PRO 75 1HD PRO 75 5.252 -11.680 4.385 533 HD3 PRO 75 2HD PRO 75 3.716 -11.218 5.147 534 H GLU 76 H GLU 76 6.338 -13.539 9.529 535 HA GLU 76 HA GLU 76 9.042 -13.208 8.932 536 HB2 GLU 76 1HB GLU 76 9.587 -14.550 10.803 537 HB3 GLU 76 2HB GLU 76 8.187 -13.538 11.175 538 HG2 GLU 76 1HG GLU 76 6.686 -15.464 10.831 539 HG3 GLU 76 2HG GLU 76 8.075 -16.503 10.476 540 H GLU 77 H GLU 77 6.924 -15.724 7.914 541 HA GLU 77 HA GLU 77 8.841 -17.704 7.053 542 HB2 GLU 77 1HB GLU 77 5.916 -17.107 6.704 543 HB3 GLU 77 2HB GLU 77 6.645 -17.979 5.376 544 HG2 GLU 77 1HG GLU 77 6.792 -18.878 8.275 545 HG3 GLU 77 2HG GLU 77 5.630 -19.468 7.081 546 H ALA 78 H ALA 78 7.401 -14.813 5.531 547 HA ALA 78 HA ALA 78 8.536 -15.478 2.901 548 HB1 ALA 78 1HB ALA 78 7.447 -13.426 2.158 549 HB2 ALA 78 2HB ALA 78 6.308 -14.405 3.097 550 HB3 ALA 78 3HB ALA 78 7.079 -12.977 3.835 551 H LEU 79 H LEU 79 9.648 -14.079 5.771 552 HA LEU 79 HA LEU 79 10.800 -11.719 4.961 553 HB2 LEU 79 1HB LEU 79 10.358 -12.702 7.304 554 HB3 LEU 79 2HB LEU 79 11.931 -13.469 7.138 555 HG LEU 79 HG LEU 79 12.777 -11.014 6.613 556 HD11 LEU 79 1HD1 LEU 79 11.408 -9.240 7.635 557 HD12 LEU 79 2HD1 LEU 79 10.183 -10.424 8.135 558 HD13 LEU 79 3HD1 LEU 79 10.416 -10.072 6.435 559 HD21 LEU 79 3HD2 LEU 79 13.315 -12.218 8.711 560 HD22 LEU 79 1HD2 LEU 79 11.761 -11.725 9.410 561 HD23 LEU 79 2HD2 LEU 79 12.991 -10.503 9.029 562 H ASP 80 H ASP 80 12.420 -14.985 5.077 563 HA ASP 80 HA ASP 80 14.916 -13.830 4.013 564 HB2 ASP 80 1HB ASP 80 14.169 -16.191 5.384 565 HB3 ASP 80 2HB ASP 80 14.516 -16.748 3.757 566 H ARG 81 H ARG 81 11.983 -15.258 2.773 567 HA ARG 81 HA ARG 81 12.791 -15.940 0.145 568 HB2 ARG 81 1HB ARG 81 10.384 -15.926 1.675 569 HB3 ARG 81 2HB ARG 81 10.030 -14.937 0.264 570 HG2 ARG 81 1HG ARG 81 10.829 -16.833 -1.195 571 HG3 ARG 81 2HG ARG 81 11.123 -17.772 0.283 572 HD2 ARG 81 1HD ARG 81 8.570 -17.144 0.790 573 HD3 ARG 81 2HD ARG 81 8.503 -16.933 -0.955 574 HE ARG 81 HE ARG 81 8.859 -19.193 -1.297 575 HH11 ARG 81 1HH1 ARG 81 8.667 -18.543 2.233 576 HH12 ARG 81 2HH1 ARG 81 9.325 -20.074 2.671 577 HH21 ARG 81 1HH2 ARG 81 8.958 -21.406 -0.627 578 HH22 ARG 81 2HH2 ARG 81 8.818 -21.776 1.064 579 H TYR 82 H TYR 82 11.150 -12.841 1.229 580 HA TYR 82 HA TYR 82 11.473 -11.680 -1.340 581 HB2 TYR 82 1HB TYR 82 10.643 -9.721 -0.455 582 HB3 TYR 82 2HB TYR 82 9.968 -10.892 0.652 583 HD1 TYR 82 2HD TYR 82 12.743 -8.429 0.159 584 HD2 TYR 82 1HD TYR 82 10.546 -10.804 3.001 585 HE1 TYR 82 2HE TYR 82 14.025 -7.426 1.997 586 HE2 TYR 82 1HE TYR 82 11.780 -9.684 4.858 587 HH TYR 82 HH TYR 82 13.446 -8.084 5.454 588 H ARG 83 H ARG 83 13.602 -11.657 1.528 589 HA ARG 83 HA ARG 83 15.346 -9.667 0.673 590 HB2 ARG 83 1HB ARG 83 15.699 -12.187 2.374 591 HB3 ARG 83 2HB ARG 83 17.084 -11.154 2.128 592 HG2 ARG 83 1HG ARG 83 15.691 -9.177 2.920 593 HG3 ARG 83 2HG ARG 83 14.406 -10.335 3.213 594 HD2 ARG 83 1HD ARG 83 16.725 -9.679 4.831 595 HD3 ARG 83 2HD ARG 83 15.123 -10.261 5.291 596 HE ARG 83 HE ARG 83 16.436 -12.477 4.190 597 HH11 ARG 83 1HH1 ARG 83 16.812 -10.332 6.960 598 HH12 ARG 83 2HH1 ARG 83 17.818 -11.461 7.840 599 HH21 ARG 83 1HH2 ARG 83 17.629 -14.062 5.590 600 HH22 ARG 83 2HH2 ARG 83 18.348 -13.434 7.020 601 H ARG 84 H ARG 84 15.324 -13.125 -0.088 602 HA ARG 84 HA ARG 84 17.786 -13.141 -1.598 603 HB2 ARG 84 1HB ARG 84 15.555 -15.080 -0.904 604 HB3 ARG 84 2HB ARG 84 16.675 -15.486 -2.179 605 HG2 ARG 84 1HG ARG 84 18.592 -14.996 -0.619 606 HG3 ARG 84 2HG ARG 84 17.415 -14.853 0.701 607 HD2 ARG 84 1HD ARG 84 16.740 -17.144 0.448 608 HD3 ARG 84 2HD ARG 84 17.578 -17.315 -1.098 609 HE ARG 84 HE ARG 84 18.681 -17.395 1.590 610 HH11 ARG 84 1HH1 ARG 84 19.489 -17.220 -1.869 611 HH12 ARG 84 2HH1 ARG 84 21.128 -17.752 -1.678 612 HH21 ARG 84 1HH2 ARG 84 20.915 -17.790 1.899 613 HH22 ARG 84 2HH2 ARG 84 21.959 -18.133 0.563 614 H ASP 85 H ASP 85 14.905 -11.686 -2.511 615 HA ASP 85 HA ASP 85 14.505 -12.860 -5.080 616 HB2 ASP 85 1HB ASP 85 12.787 -11.638 -3.730 617 HB3 ASP 85 2HB ASP 85 13.694 -10.138 -4.020 618 H TYR 86 H TYR 86 14.476 -11.361 -7.070 619 HA TYR 86 HA TYR 86 17.163 -10.253 -7.513 620 HB2 TYR 86 1HB TYR 86 15.978 -11.986 -9.008 621 HB3 TYR 86 2HB TYR 86 14.967 -10.656 -9.553 622 HD1 TYR 86 1HD TYR 86 15.957 -8.800 -10.883 623 HD2 TYR 86 2HD TYR 86 18.312 -12.188 -9.634 624 HE1 TYR 86 1HE TYR 86 17.808 -8.060 -12.387 625 HE2 TYR 86 2HE TYR 86 20.113 -11.521 -11.191 626 HH TYR 86 HH TYR 86 20.997 -9.722 -12.345 627 H PHE 87 H PHE 87 13.824 -9.093 -7.104 628 HA PHE 87 HA PHE 87 14.710 -6.352 -7.849 629 HB2 PHE 87 1HB PHE 87 12.837 -7.234 -9.152 630 HB3 PHE 87 2HB PHE 87 11.945 -7.573 -7.673 631 HD1 PHE 87 1HD PHE 87 13.754 -4.322 -7.589 632 HD2 PHE 87 2HD PHE 87 10.141 -6.317 -8.861 633 HE1 PHE 87 1HE PHE 87 12.627 -2.157 -7.784 634 HE2 PHE 87 2HE PHE 87 9.025 -4.090 -9.039 635 HZ PHE 87 HZ PHE 87 10.263 -2.027 -8.499 636 H TRP 88 H TRP 88 12.618 -8.070 -5.443 637 HA TRP 88 HA TRP 88 12.342 -5.827 -3.761 638 HB2 TRP 88 1HB TRP 88 12.117 -8.794 -3.122 639 HB3 TRP 88 2HB TRP 88 11.657 -7.515 -2.018 640 HD1 TRP 88 HD TRP 88 10.355 -9.403 -5.022 641 HE1 TRP 88 1HE TRP 88 7.926 -8.785 -5.444 642 HE3 TRP 88 3HE TRP 88 10.051 -5.391 -1.896 643 HZ2 TRP 88 2HZ TRP 88 6.207 -6.424 -4.881 644 HZ3 TRP 88 3HZ TRP 88 8.014 -4.013 -1.824 645 HH2 TRP 88 HH TRP 88 6.105 -4.501 -3.319 646 H GLN 89 H GLN 89 15.093 -7.697 -4.187 647 HA GLN 89 HA GLN 89 16.589 -7.578 -2.052 648 HB2 GLN 89 1HB GLN 89 18.637 -7.119 -3.442 649 HB3 GLN 89 2HB GLN 89 17.736 -8.652 -3.434 650 HG2 GLN 89 1HG GLN 89 16.513 -8.197 -5.191 651 HG3 GLN 89 2HG GLN 89 16.876 -6.482 -5.064 652 HE21 GLN 89 1HE2 GLN 89 18.417 -9.654 -5.805 653 HE22 GLN 89 2HE2 GLN 89 19.535 -9.002 -7.020 654 H THR 90 H THR 90 16.598 -4.868 -4.314 655 HA THR 90 HA THR 90 18.095 -3.078 -2.700 656 HB THR 90 HB THR 90 18.103 -2.456 -4.886 657 HG1 THR 90 1HG THR 90 17.563 -0.453 -4.853 658 HG21 THR 90 3HG2 THR 90 15.093 -2.727 -5.041 659 HG22 THR 90 1HG2 THR 90 16.338 -3.666 -5.905 660 HG23 THR 90 2HG2 THR 90 16.092 -1.968 -6.298 661 H TYR 91 H TYR 91 14.546 -3.502 -2.921 662 HA TYR 91 HA TYR 91 13.970 -1.455 -0.998 663 HB2 TYR 91 1HB TYR 91 12.314 -3.654 -2.274 664 HB3 TYR 91 2HB TYR 91 11.665 -2.690 -1.006 665 HD1 TYR 91 1HD TYR 91 13.105 -2.477 -4.428 666 HD2 TYR 91 2HD TYR 91 10.889 -0.349 -1.380 667 HE1 TYR 91 1HE TYR 91 12.810 -0.557 -5.953 668 HE2 TYR 91 2HE TYR 91 10.611 1.537 -2.882 669 HH TYR 91 HH TYR 91 12.218 1.716 -6.054 670 H ALA 92 H ALA 92 15.528 -4.376 -0.331 671 HA ALA 92 HA ALA 92 14.213 -5.358 1.989 672 HB1 ALA 92 1HB ALA 92 15.945 -6.600 0.698 673 HB2 ALA 92 2HB ALA 92 17.173 -5.480 1.344 674 HB3 ALA 92 3HB ALA 92 16.256 -6.517 2.443 675 H ALA 93 H ALA 93 16.172 -2.499 1.514 676 HA ALA 93 HA ALA 93 17.120 -2.267 4.139 677 HB1 ALA 93 1HB ALA 93 18.004 -0.931 2.280 678 HB2 ALA 93 2HB ALA 93 16.464 -0.054 2.161 679 HB3 ALA 93 3HB ALA 93 17.464 0.121 3.609 680 H TRP 94 H TRP 94 13.857 -1.880 3.002 681 HA TRP 94 HA TRP 94 13.072 -0.555 5.570 682 HB2 TRP 94 1HB TRP 94 11.778 -0.389 2.869 683 HB3 TRP 94 2HB TRP 94 11.174 0.391 4.256 684 HD1 TRP 94 HD TRP 94 12.426 2.729 4.911 685 HE1 TRP 94 1HE TRP 94 13.896 4.290 3.614 686 HE3 TRP 94 3HE TRP 94 13.513 -0.308 0.955 687 HZ2 TRP 94 2HZ TRP 94 15.859 4.065 1.419 688 HZ3 TRP 94 3HZ TRP 94 15.209 0.411 -0.754 689 HH2 TRP 94 HH TRP 94 16.388 2.564 -0.506 690 H ILE 95 H ILE 95 13.021 -3.556 4.076 691 HA ILE 95 HA ILE 95 10.204 -4.142 4.693 692 HB ILE 95 HB ILE 95 12.378 -5.900 3.524 693 HG12 ILE 95 1HG1 ILE 95 9.908 -4.857 2.093 694 HG13 ILE 95 2HG1 ILE 95 11.395 -3.939 2.079 695 HG21 ILE 95 1HG2 ILE 95 9.363 -6.309 3.925 696 HG22 ILE 95 2HG2 ILE 95 10.383 -7.397 2.968 697 HG23 ILE 95 3HG2 ILE 95 10.657 -7.237 4.705 698 HD11 ILE 95 3HD1 ILE 95 10.890 -6.667 0.844 699 HD12 ILE 95 1HD1 ILE 95 11.269 -5.140 0.033 700 HD13 ILE 95 2HD1 ILE 95 12.514 -5.963 0.963 701 H GLN 96 H GLN 96 9.574 -5.265 6.528 702 HA GLN 96 HA GLN 96 11.584 -6.353 8.395 703 HB2 GLN 96 1HB GLN 96 10.055 -5.121 10.192 704 HB3 GLN 96 2HB GLN 96 11.508 -4.383 9.538 705 HG2 GLN 96 1HG GLN 96 10.308 -2.869 8.201 706 HG3 GLN 96 2HG GLN 96 8.807 -3.766 8.295 707 HE21 GLN 96 1HE2 GLN 96 10.217 -3.625 11.458 708 HE22 GLN 96 2HE2 GLN 96 9.249 -2.277 12.011 709 HA PRO 97 HA PRO 97 8.414 -9.336 9.093 710 HB2 PRO 97 1HB PRO 97 8.462 -9.783 11.840 711 HB3 PRO 97 2HB PRO 97 9.612 -10.453 10.647 712 HG2 PRO 97 1HG PRO 97 9.937 -8.016 12.395 713 HG3 PRO 97 2HG PRO 97 11.130 -9.302 12.049 714 HD2 PRO 97 1HD PRO 97 11.181 -6.905 10.778 715 HD3 PRO 97 2HD PRO 97 11.588 -8.414 9.916 716 H MET 98 H MET 98 6.414 -9.812 10.356 717 HA MET 98 HA MET 98 4.773 -7.389 10.877 718 HB2 MET 98 1HB MET 98 4.082 -10.353 10.481 719 HB3 MET 98 2HB MET 98 2.930 -9.150 11.031 720 HG2 MET 98 1HG MET 98 3.733 -7.806 8.920 721 HG3 MET 98 2HG MET 98 4.181 -9.421 8.367 722 HE1 MET 98 3HE MET 98 2.592 -8.513 6.362 723 HE2 MET 98 1HE MET 98 2.597 -10.278 6.593 724 HE3 MET 98 2HE MET 98 1.070 -9.439 6.290 725 H GLU 99 H GLU 99 3.169 -7.896 12.660 726 HA GLU 99 HA GLU 99 4.136 -9.503 14.910 727 HB2 GLU 99 1HB GLU 99 2.956 -6.697 14.999 728 HB3 GLU 99 2HB GLU 99 2.735 -7.773 16.324 729 HG2 GLU 99 1HG GLU 99 5.542 -7.203 15.341 730 HG3 GLU 99 2HG GLU 99 4.693 -6.055 16.366 731 H GLN 100 H GLN 100 2.189 -10.045 16.132 732 HA GLN 100 HA GLN 100 0.164 -10.730 16.562 733 HB2 GLN 100 1HB GLN 100 -0.050 -8.176 16.122 734 HB3 GLN 100 2HB GLN 100 -0.949 -8.639 14.674 735 HG2 GLN 100 1HG GLN 100 -2.362 -10.112 16.259 736 HG3 GLN 100 2HG GLN 100 -1.545 -9.280 17.585 737 HE21 GLN 100 1HE2 GLN 100 -1.537 -6.572 16.220 738 HE22 GLN 100 2HE2 GLN 100 -3.237 -6.113 16.168 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -18.725 14.403 -1.140 2 HA2 GLY 1 1HA GLY 1 -17.251 12.537 -0.618 3 HA3 GLY 1 2HA GLY 1 -16.942 13.294 0.957 4 H SER 2 H SER 2 -19.515 11.861 -1.094 5 HA SER 2 HA SER 2 -20.489 10.358 1.150 6 HB2 SER 2 1HB SER 2 -22.902 11.115 0.679 7 HB3 SER 2 2HB SER 2 -21.870 12.131 1.686 8 HG SER 2 HG SER 2 -21.981 13.678 0.304 9 H HIS 3 H HIS 3 -19.370 8.891 -0.355 10 HA HIS 3 HA HIS 3 -21.149 7.631 -2.200 11 HB2 HIS 3 1HB HIS 3 -19.690 7.717 -4.157 12 HB3 HIS 3 2HB HIS 3 -20.150 9.347 -3.712 13 HD1 HIS 3 1HD HIS 3 -18.131 10.972 -2.885 14 HD2 HIS 3 2HD HIS 3 -17.107 6.995 -3.826 15 HE1 HIS 3 1HE HIS 3 -15.607 10.899 -2.955 16 H GLU 4 H GLU 4 -19.987 5.590 -3.091 17 HA GLU 4 HA GLU 4 -18.629 4.348 -0.823 18 HB2 GLU 4 1HB GLU 4 -19.558 3.265 -3.509 19 HB3 GLU 4 2HB GLU 4 -18.855 2.282 -2.232 20 HG2 GLU 4 1HG GLU 4 -20.781 2.208 -1.022 21 HG3 GLU 4 2HG GLU 4 -21.045 3.913 -1.162 22 H GLY 5 H GLY 5 -16.362 4.636 -0.732 23 HA2 GLY 5 1HA GLY 5 -14.528 4.073 -2.736 24 HA3 GLY 5 2HA GLY 5 -15.010 5.745 -3.042 25 H GLU 6 H GLU 6 -14.462 3.839 -0.099 26 HA GLU 6 HA GLU 6 -12.926 5.874 1.252 27 HB2 GLU 6 1HB GLU 6 -12.392 3.869 2.805 28 HB3 GLU 6 2HB GLU 6 -14.013 4.495 2.719 29 HG2 GLU 6 1HG GLU 6 -13.253 2.145 0.974 30 HG3 GLU 6 2HG GLU 6 -13.505 1.905 2.701 31 HA PRO 7 HA PRO 7 -8.831 4.955 -0.267 32 HB2 PRO 7 1HB PRO 7 -7.207 5.372 1.914 33 HB3 PRO 7 2HB PRO 7 -8.075 6.698 1.110 34 HG2 PRO 7 1HG PRO 7 -8.948 5.076 3.545 35 HG3 PRO 7 2HG PRO 7 -8.891 6.856 3.399 36 HD2 PRO 7 1HD PRO 7 -11.180 5.565 3.039 37 HD3 PRO 7 2HD PRO 7 -10.746 6.896 1.932 38 H VAL 8 H VAL 8 -9.698 2.617 -0.476 39 HA VAL 8 HA VAL 8 -7.947 0.801 1.091 40 HB VAL 8 HB VAL 8 -10.868 0.100 0.701 41 HG11 VAL 8 1HG1 VAL 8 -10.446 -1.486 2.516 42 HG12 VAL 8 2HG1 VAL 8 -9.202 -1.715 1.309 43 HG13 VAL 8 3HG1 VAL 8 -8.808 -0.821 2.778 44 HG21 VAL 8 3HG2 VAL 8 -11.375 0.706 3.016 45 HG22 VAL 8 1HG2 VAL 8 -9.746 1.423 3.199 46 HG23 VAL 8 2HG2 VAL 8 -10.935 2.129 2.089 47 H VAL 9 H VAL 9 -7.265 -0.961 0.038 48 HA VAL 9 HA VAL 9 -7.691 -1.351 -2.776 49 HB VAL 9 HB VAL 9 -5.622 -1.856 -1.447 50 HG11 VAL 9 1HG1 VAL 9 -6.789 -3.000 0.484 51 HG12 VAL 9 2HG1 VAL 9 -6.969 -4.404 -0.545 52 HG13 VAL 9 3HG1 VAL 9 -5.336 -3.804 -0.133 53 HG21 VAL 9 3HG2 VAL 9 -6.530 -4.292 -2.993 54 HG22 VAL 9 1HG2 VAL 9 -5.999 -2.765 -3.743 55 HG23 VAL 9 2HG2 VAL 9 -4.888 -3.698 -2.723 56 H GLY 10 H GLY 10 -8.333 -3.481 -3.613 57 HA2 GLY 10 1HA GLY 10 -10.237 -5.207 -2.535 58 HA3 GLY 10 2HA GLY 10 -11.080 -3.832 -3.301 59 H MET 11 H MET 11 -10.889 -3.567 -5.560 60 HA MET 11 HA MET 11 -8.995 -5.292 -7.063 61 HB2 MET 11 1HB MET 11 -12.007 -5.356 -7.417 62 HB3 MET 11 2HB MET 11 -10.857 -5.991 -8.609 63 HG2 MET 11 1HG MET 11 -9.823 -7.387 -6.839 64 HG3 MET 11 2HG MET 11 -11.101 -6.929 -5.728 65 HE1 MET 11 3HE MET 11 -10.491 -9.711 -5.786 66 HE2 MET 11 1HE MET 11 -11.148 -10.770 -7.054 67 HE3 MET 11 2HE MET 11 -9.782 -9.694 -7.415 68 H ASP 12 H ASP 12 -9.187 -2.332 -6.516 69 HA ASP 12 HA ASP 12 -8.269 -1.869 -9.206 70 HB2 ASP 12 1HB ASP 12 -10.808 -0.873 -8.824 71 HB3 ASP 12 2HB ASP 12 -9.851 0.446 -8.218 72 H LYS 13 H LYS 13 -6.801 0.053 -9.221 73 HA LYS 13 HA LYS 13 -5.564 0.396 -6.577 74 HB2 LYS 13 1HB LYS 13 -4.519 -0.326 -9.287 75 HB3 LYS 13 2HB LYS 13 -3.459 0.168 -7.974 76 HG2 LYS 13 1HG LYS 13 -5.215 -2.329 -7.977 77 HG3 LYS 13 2HG LYS 13 -3.491 -2.097 -8.092 78 HD2 LYS 13 1HD LYS 13 -3.573 -1.092 -5.733 79 HD3 LYS 13 2HD LYS 13 -5.229 -1.662 -5.673 80 HE2 LYS 13 1HE LYS 13 -4.127 -3.431 -4.685 81 HE3 LYS 13 2HE LYS 13 -4.162 -3.996 -6.358 82 HZ1 LYS 13 3HZ LYS 13 -1.951 -2.661 -4.915 83 HZ2 LYS 13 1HZ LYS 13 -1.857 -3.075 -6.532 84 HZ3 LYS 13 2HZ LYS 13 -1.972 -4.232 -5.366 85 H SER 14 H SER 14 -7.053 2.739 -8.456 86 HA SER 14 HA SER 14 -4.758 4.567 -8.109 87 HB2 SER 14 1HB SER 14 -5.576 5.593 -9.829 88 HB3 SER 14 2HB SER 14 -6.935 4.492 -9.892 89 HG SER 14 HG SER 14 -6.683 7.032 -8.720 90 H LEU 15 H LEU 15 -7.328 3.516 -6.210 91 HA LEU 15 HA LEU 15 -8.315 5.815 -5.037 92 HB2 LEU 15 1HB LEU 15 -8.370 2.939 -4.017 93 HB3 LEU 15 2HB LEU 15 -9.420 4.220 -3.468 94 HG LEU 15 HG LEU 15 -10.648 2.822 -4.886 95 HD11 LEU 15 1HD1 LEU 15 -11.257 5.171 -5.074 96 HD12 LEU 15 2HD1 LEU 15 -11.509 4.320 -6.607 97 HD13 LEU 15 3HD1 LEU 15 -10.104 5.388 -6.417 98 HD21 LEU 15 3HD2 LEU 15 -8.862 3.390 -7.262 99 HD22 LEU 15 1HD2 LEU 15 -10.241 2.321 -7.146 100 HD23 LEU 15 2HD2 LEU 15 -8.775 1.891 -6.264 101 H PHE 16 H PHE 16 -5.331 5.688 -4.559 102 HA PHE 16 HA PHE 16 -5.194 5.424 -1.572 103 HB2 PHE 16 1HB PHE 16 -3.073 4.864 -3.650 104 HB3 PHE 16 2HB PHE 16 -2.876 4.708 -1.911 105 HD1 PHE 16 2HD PHE 16 -4.687 3.422 -4.924 106 HD2 PHE 16 1HD PHE 16 -3.692 2.827 -0.806 107 HE1 PHE 16 2HE PHE 16 -6.027 1.317 -4.901 108 HE2 PHE 16 1HE PHE 16 -4.828 0.596 -0.863 109 HZ PHE 16 HZ PHE 16 -5.981 -0.146 -2.946 110 H ALA 17 H ALA 17 -4.221 7.350 -4.397 111 HA ALA 17 HA ALA 17 -2.795 9.319 -2.763 112 HB1 ALA 17 1HB ALA 17 -1.990 8.859 -5.033 113 HB2 ALA 17 2HB ALA 17 -3.612 9.142 -5.708 114 HB3 ALA 17 3HB ALA 17 -2.702 10.488 -5.024 115 H GLY 18 H GLY 18 -5.080 9.117 -1.504 116 HA2 GLY 18 1HA GLY 18 -6.471 11.657 -2.135 117 HA3 GLY 18 2HA GLY 18 -7.426 10.172 -2.181 118 H ASN 19 H ASN 19 -5.781 9.108 0.280 119 HA ASN 19 HA ASN 19 -6.942 10.943 2.349 120 HB2 ASN 19 1HB ASN 19 -8.021 8.767 2.156 121 HB3 ASN 19 2HB ASN 19 -6.459 7.960 2.386 122 HD21 ASN 19 1HD2 ASN 19 -6.035 7.320 4.439 123 HD22 ASN 19 2HD2 ASN 19 -6.953 7.805 5.837 124 H THR 20 H THR 20 -5.776 11.486 4.124 125 HA THR 20 HA THR 20 -2.876 11.474 3.760 126 HB THR 20 HB THR 20 -3.390 13.841 4.732 127 HG1 THR 20 1HG THR 20 -5.595 14.431 4.475 128 HG21 THR 20 3HG2 THR 20 -4.118 14.686 2.559 129 HG22 THR 20 1HG2 THR 20 -4.677 13.088 2.056 130 HG23 THR 20 2HG2 THR 20 -2.951 13.388 2.319 131 H VAL 21 H VAL 21 -4.586 9.740 5.622 132 HA VAL 21 HA VAL 21 -3.281 10.226 8.227 133 HB VAL 21 HB VAL 21 -5.185 11.749 8.088 134 HG11 VAL 21 1HG1 VAL 21 -7.480 11.003 8.117 135 HG12 VAL 21 2HG1 VAL 21 -6.686 10.525 6.626 136 HG13 VAL 21 3HG1 VAL 21 -6.989 9.314 7.895 137 HG21 VAL 21 3HG2 VAL 21 -6.096 11.380 10.230 138 HG22 VAL 21 1HG2 VAL 21 -5.773 9.641 10.183 139 HG23 VAL 21 2HG2 VAL 21 -4.419 10.797 10.261 140 H ILE 22 H ILE 22 -3.026 8.145 6.220 141 HA ILE 22 HA ILE 22 -4.247 5.774 7.489 142 HB ILE 22 HB ILE 22 -5.258 5.899 5.417 143 HG12 ILE 22 1HG1 ILE 22 -2.837 4.189 4.820 144 HG13 ILE 22 2HG1 ILE 22 -4.120 3.738 5.937 145 HG21 ILE 22 1HG2 ILE 22 -3.919 7.753 4.345 146 HG22 ILE 22 2HG2 ILE 22 -2.628 6.582 4.016 147 HG23 ILE 22 3HG2 ILE 22 -4.198 6.407 3.251 148 HD11 ILE 22 3HD1 ILE 22 -4.393 4.198 2.942 149 HD12 ILE 22 1HD1 ILE 22 -4.543 2.684 3.831 150 HD13 ILE 22 2HD1 ILE 22 -5.778 3.938 4.054 151 H ARG 23 H ARG 23 -2.629 5.233 8.899 152 HA ARG 23 HA ARG 23 0.162 5.355 7.927 153 HB2 ARG 23 1HB ARG 23 -0.831 4.485 10.655 154 HB3 ARG 23 2HB ARG 23 0.830 4.785 10.196 155 HG2 ARG 23 1HG ARG 23 0.603 7.103 10.120 156 HG3 ARG 23 2HG ARG 23 -1.137 7.040 9.857 157 HD2 ARG 23 1HD ARG 23 -1.247 6.005 12.261 158 HD3 ARG 23 2HD ARG 23 0.403 6.635 12.415 159 HE ARG 23 HE ARG 23 -0.408 8.743 12.574 160 HH11 ARG 23 1HH1 ARG 23 -3.040 6.706 11.234 161 HH12 ARG 23 2HH1 ARG 23 -4.271 7.885 11.543 162 HH21 ARG 23 1HH2 ARG 23 -2.102 10.378 12.779 163 HH22 ARG 23 2HH2 ARG 23 -3.732 9.958 12.397 164 H GLU 24 H GLU 24 -2.335 3.017 7.721 165 HA GLU 24 HA GLU 24 -0.301 0.915 7.424 166 HB2 GLU 24 1HB GLU 24 -2.799 0.718 9.174 167 HB3 GLU 24 2HB GLU 24 -1.974 -0.699 8.540 168 HG2 GLU 24 1HG GLU 24 0.102 -0.037 9.696 169 HG3 GLU 24 2HG GLU 24 -0.708 1.370 10.383 170 H ILE 25 H ILE 25 -0.635 -0.284 5.652 171 HA ILE 25 HA ILE 25 -3.315 -0.339 4.374 172 HB ILE 25 HB ILE 25 -0.708 0.014 2.877 173 HG12 ILE 25 1HG1 ILE 25 -2.351 2.193 3.987 174 HG13 ILE 25 2HG1 ILE 25 -0.671 1.983 3.891 175 HG21 ILE 25 1HG2 ILE 25 -3.513 0.594 1.905 176 HG22 ILE 25 2HG2 ILE 25 -2.033 0.373 0.940 177 HG23 ILE 25 3HG2 ILE 25 -2.775 -1.012 1.776 178 HD11 ILE 25 3HD1 ILE 25 -1.323 3.798 2.428 179 HD12 ILE 25 1HD1 ILE 25 -0.705 2.454 1.455 180 HD13 ILE 25 2HD1 ILE 25 -2.461 2.757 1.565 181 H THR 26 H THR 26 -3.768 -2.517 4.757 182 HA THR 26 HA THR 26 -1.629 -4.504 4.635 183 HB THR 26 HB THR 26 -4.567 -4.767 5.338 184 HG1 THR 26 1HG THR 26 -3.675 -3.459 6.811 185 HG21 THR 26 3HG2 THR 26 -3.792 -6.793 6.569 186 HG22 THR 26 1HG2 THR 26 -2.179 -6.612 5.839 187 HG23 THR 26 2HG2 THR 26 -3.591 -6.952 4.807 188 H VAL 27 H VAL 27 -1.057 -4.904 2.416 189 HA VAL 27 HA VAL 27 -3.263 -5.157 0.445 190 HB VAL 27 HB VAL 27 -0.358 -5.185 -0.360 191 HG11 VAL 27 1HG1 VAL 27 -1.245 -4.125 -2.360 192 HG12 VAL 27 2HG1 VAL 27 -2.169 -5.594 -2.017 193 HG13 VAL 27 3HG1 VAL 27 -2.866 -4.013 -1.620 194 HG21 VAL 27 3HG2 VAL 27 -1.937 -2.787 0.544 195 HG22 VAL 27 1HG2 VAL 27 -0.303 -3.280 1.032 196 HG23 VAL 27 2HG2 VAL 27 -0.570 -2.665 -0.616 197 H GLN 28 H GLN 28 -3.843 -7.044 -0.402 198 HA GLN 28 HA GLN 28 -2.388 -9.455 0.398 199 HB2 GLN 28 1HB GLN 28 -4.910 -9.207 -1.293 200 HB3 GLN 28 2HB GLN 28 -4.323 -10.628 -0.441 201 HG2 GLN 28 1HG GLN 28 -4.470 -8.866 1.663 202 HG3 GLN 28 2HG GLN 28 -5.741 -8.219 0.642 203 HE21 GLN 28 1HE2 GLN 28 -4.551 -11.098 2.316 204 HE22 GLN 28 2HE2 GLN 28 -6.143 -11.800 2.615 205 HA PRO 29 HA PRO 29 -0.193 -9.906 -3.419 206 HB2 PRO 29 1HB PRO 29 -0.171 -12.623 -3.824 207 HB3 PRO 29 2HB PRO 29 0.781 -11.816 -2.538 208 HG2 PRO 29 1HG PRO 29 -1.940 -13.135 -2.314 209 HG3 PRO 29 2HG PRO 29 -0.530 -13.380 -1.254 210 HD2 PRO 29 1HD PRO 29 -2.516 -11.719 -0.576 211 HD3 PRO 29 2HD PRO 29 -0.826 -11.248 -0.261 212 H ASN 30 H ASN 30 -0.336 -10.648 -5.623 213 HA ASN 30 HA ASN 30 -1.371 -10.591 -7.639 214 HB2 ASN 30 1HB ASN 30 -2.760 -12.954 -6.362 215 HB3 ASN 30 2HB ASN 30 -2.708 -12.626 -8.080 216 HD21 ASN 30 1HD2 ASN 30 -1.604 -15.077 -6.801 217 HD22 ASN 30 2HD2 ASN 30 0.139 -14.978 -6.983 218 H ILE 31 H ILE 31 -2.484 -8.515 -6.372 219 HA ILE 31 HA ILE 31 -5.375 -8.675 -7.039 220 HB ILE 31 HB ILE 31 -4.951 -9.233 -4.714 221 HG12 ILE 31 1HG1 ILE 31 -6.559 -6.702 -4.658 222 HG13 ILE 31 2HG1 ILE 31 -7.079 -8.005 -5.734 223 HG21 ILE 31 1HG2 ILE 31 -4.243 -7.644 -3.116 224 HG22 ILE 31 2HG2 ILE 31 -3.075 -7.589 -4.425 225 HG23 ILE 31 3HG2 ILE 31 -4.282 -6.300 -4.292 226 HD11 ILE 31 3HD1 ILE 31 -7.167 -9.596 -3.916 227 HD12 ILE 31 1HD1 ILE 31 -6.585 -8.376 -2.762 228 HD13 ILE 31 2HD1 ILE 31 -8.168 -8.176 -3.543 229 H GLY 32 H GLY 32 -2.549 -6.835 -7.583 230 HA2 GLY 32 1HA GLY 32 -3.671 -5.653 -9.599 231 HA3 GLY 32 2HA GLY 32 -4.004 -4.419 -8.387 232 H LEU 33 H LEU 33 -2.321 -4.002 -10.675 233 HA LEU 33 HA LEU 33 0.461 -4.177 -10.158 234 HB2 LEU 33 1HB LEU 33 -0.328 -3.627 -12.342 235 HB3 LEU 33 2HB LEU 33 -1.257 -2.256 -11.752 236 HG LEU 33 HG LEU 33 0.872 -1.020 -11.291 237 HD11 LEU 33 1HD1 LEU 33 2.399 -3.071 -11.073 238 HD12 LEU 33 2HD1 LEU 33 2.994 -1.779 -12.143 239 HD13 LEU 33 3HD1 LEU 33 2.248 -3.232 -12.811 240 HD21 LEU 33 3HD2 LEU 33 1.423 -0.584 -13.656 241 HD22 LEU 33 1HD2 LEU 33 -0.327 -0.674 -13.390 242 HD23 LEU 33 2HD2 LEU 33 0.526 -2.041 -14.133 243 H LEU 34 H LEU 34 1.942 -2.566 -9.411 244 HA LEU 34 HA LEU 34 0.842 -0.358 -7.740 245 HB2 LEU 34 1HB LEU 34 3.281 -2.103 -7.325 246 HB3 LEU 34 2HB LEU 34 2.880 -0.693 -6.357 247 HG LEU 34 HG LEU 34 0.773 -2.837 -6.533 248 HD11 LEU 34 1HD1 LEU 34 2.423 -4.381 -6.210 249 HD12 LEU 34 2HD1 LEU 34 1.948 -4.015 -4.566 250 HD13 LEU 34 3HD1 LEU 34 3.457 -3.325 -5.267 251 HD21 LEU 34 3HD2 LEU 34 0.414 -0.794 -5.282 252 HD22 LEU 34 1HD2 LEU 34 1.849 -1.111 -4.292 253 HD23 LEU 34 2HD2 LEU 34 0.445 -2.197 -4.190 254 H TYR 35 H TYR 35 0.953 1.084 -9.653 255 HA TYR 35 HA TYR 35 3.422 1.284 -11.117 256 HB2 TYR 35 1HB TYR 35 2.306 3.225 -12.220 257 HB3 TYR 35 2HB TYR 35 1.476 1.692 -12.329 258 HD1 TYR 35 1HD TYR 35 1.449 4.970 -10.553 259 HD2 TYR 35 2HD TYR 35 -0.766 1.468 -11.643 260 HE1 TYR 35 1HE TYR 35 -0.614 6.082 -9.781 261 HE2 TYR 35 2HE TYR 35 -2.869 2.559 -10.827 262 HH TYR 35 HH TYR 35 -2.982 5.932 -9.844 263 H ASP 36 H ASP 36 4.243 3.840 -11.453 264 HA ASP 36 HA ASP 36 5.486 4.486 -8.897 265 HB2 ASP 36 1HB ASP 36 6.732 6.109 -10.148 266 HB3 ASP 36 2HB ASP 36 6.776 4.577 -10.988 267 H GLY 37 H GLY 37 4.753 6.010 -7.547 268 HA2 GLY 37 1HA GLY 37 3.745 8.001 -6.859 269 HA3 GLY 37 2HA GLY 37 3.098 8.228 -8.481 270 H MET 38 H MET 38 2.338 4.986 -7.496 271 HA MET 38 HA MET 38 -0.392 5.434 -7.299 272 HB2 MET 38 1HB MET 38 1.206 3.250 -7.502 273 HB3 MET 38 2HB MET 38 0.878 3.179 -5.764 274 HG2 MET 38 1HG MET 38 -1.614 3.498 -6.530 275 HG3 MET 38 2HG MET 38 -0.979 3.075 -8.113 276 HE1 MET 38 3HE MET 38 -3.191 0.992 -5.805 277 HE2 MET 38 1HE MET 38 -2.038 0.331 -4.680 278 HE3 MET 38 2HE MET 38 -2.205 2.092 -4.788 279 H PHE 39 H PHE 39 1.973 6.296 -4.955 280 HA PHE 39 HA PHE 39 -0.069 6.435 -2.794 281 HB2 PHE 39 1HB PHE 39 2.911 5.837 -2.576 282 HB3 PHE 39 2HB PHE 39 1.779 5.994 -1.225 283 HD1 PHE 39 1HD PHE 39 -0.273 4.438 -1.166 284 HD2 PHE 39 2HD PHE 39 3.197 3.616 -3.642 285 HE1 PHE 39 1HE PHE 39 -1.006 2.090 -1.463 286 HE2 PHE 39 2HE PHE 39 2.357 1.423 -4.103 287 HZ PHE 39 HZ PHE 39 0.324 0.541 -2.915 288 H SER 40 H SER 40 1.090 8.436 -5.014 289 HA SER 40 HA SER 40 2.479 10.449 -3.530 290 HB2 SER 40 1HB SER 40 2.109 11.803 -5.537 291 HB3 SER 40 2HB SER 40 2.656 10.167 -5.956 292 HG SER 40 HG SER 40 -0.055 10.940 -5.883 293 H GLY 41 H GLY 41 1.459 11.149 -1.681 294 HA2 GLY 41 1HA GLY 41 0.093 13.145 -1.162 295 HA3 GLY 41 2HA GLY 41 -1.275 12.325 -1.934 296 H CYS 42 H CYS 42 0.346 9.813 -0.486 297 HA CYS 42 HA CYS 42 -1.514 9.654 1.736 298 HB2 CYS 42 1HB CYS 42 0.918 7.934 1.086 299 HB3 CYS 42 2HB CYS 42 -0.424 7.533 2.171 300 HG CYS 42 HG CYS 42 -2.267 7.857 0.112 301 H THR 43 H THR 43 -0.479 11.962 2.463 302 HA THR 43 HA THR 43 2.085 11.951 3.632 303 HB THR 43 HB THR 43 1.229 14.251 4.452 304 HG1 THR 43 1HG THR 43 -0.683 14.875 3.359 305 HG21 THR 43 3HG2 THR 43 1.301 15.164 2.173 306 HG22 THR 43 1HG2 THR 43 1.032 13.550 1.486 307 HG23 THR 43 2HG2 THR 43 2.522 13.903 2.381 308 H ALA 44 H ALA 44 0.332 9.877 4.881 309 HA ALA 44 HA ALA 44 1.540 10.346 7.461 310 HB1 ALA 44 1HB ALA 44 -0.371 9.618 8.816 311 HB2 ALA 44 2HB ALA 44 -0.802 11.073 7.907 312 HB3 ALA 44 3HB ALA 44 -1.369 9.476 7.355 313 H LEU 45 H LEU 45 1.726 8.549 4.866 314 HA LEU 45 HA LEU 45 1.016 5.911 5.789 315 HB2 LEU 45 1HB LEU 45 1.425 6.900 3.339 316 HB3 LEU 45 2HB LEU 45 3.049 6.322 3.609 317 HG LEU 45 HG LEU 45 0.513 4.856 3.855 318 HD11 LEU 45 1HD1 LEU 45 1.341 3.614 1.684 319 HD12 LEU 45 2HD1 LEU 45 2.226 5.128 1.496 320 HD13 LEU 45 3HD1 LEU 45 0.491 5.191 1.661 321 HD21 LEU 45 3HD2 LEU 45 0.790 3.118 4.674 322 HD22 LEU 45 1HD2 LEU 45 2.323 3.678 5.194 323 HD23 LEU 45 2HD2 LEU 45 2.190 2.720 3.675 324 H GLU 46 H GLU 46 2.124 4.783 7.309 325 HA GLU 46 HA GLU 46 5.080 5.106 7.341 326 HB2 GLU 46 1HB GLU 46 3.282 4.888 9.771 327 HB3 GLU 46 2HB GLU 46 5.063 4.906 9.779 328 HG2 GLU 46 1HG GLU 46 5.036 7.100 8.591 329 HG3 GLU 46 2HG GLU 46 3.282 7.179 8.713 330 H LYS 47 H LYS 47 2.373 2.815 7.296 331 HA LYS 47 HA LYS 47 4.377 0.647 7.014 332 HB2 LYS 47 1HB LYS 47 1.954 0.738 8.825 333 HB3 LYS 47 2HB LYS 47 2.584 -0.770 8.195 334 HG2 LYS 47 1HG LYS 47 4.859 0.038 9.228 335 HG3 LYS 47 2HG LYS 47 3.854 1.135 10.182 336 HD2 LYS 47 1HD LYS 47 2.565 -0.667 11.097 337 HD3 LYS 47 2HD LYS 47 3.209 -1.839 9.925 338 HE2 LYS 47 1HE LYS 47 5.450 -1.624 10.910 339 HE3 LYS 47 2HE LYS 47 4.806 -0.508 12.132 340 HZ1 LYS 47 3HZ LYS 47 4.712 -2.499 13.233 341 HZ2 LYS 47 1HZ LYS 47 4.470 -3.403 11.920 342 HZ3 LYS 47 2HZ LYS 47 3.216 -2.526 12.545 343 H LEU 48 H LEU 48 3.738 -1.037 5.806 344 HA LEU 48 HA LEU 48 1.160 -1.126 4.367 345 HB2 LEU 48 1HB LEU 48 2.735 0.062 2.881 346 HB3 LEU 48 2HB LEU 48 3.938 -1.192 3.127 347 HG LEU 48 HG LEU 48 1.711 -2.667 2.232 348 HD11 LEU 48 1HD1 LEU 48 0.438 -0.919 1.442 349 HD12 LEU 48 2HD1 LEU 48 1.285 -1.447 -0.002 350 HD13 LEU 48 3HD1 LEU 48 1.831 0.026 0.817 351 HD21 LEU 48 3HD2 LEU 48 2.988 -3.024 0.220 352 HD22 LEU 48 1HD2 LEU 48 4.042 -3.053 1.626 353 HD23 LEU 48 2HD2 LEU 48 4.012 -1.626 0.548 354 H ILE 49 H ILE 49 0.467 -3.106 4.993 355 HA ILE 49 HA ILE 49 2.507 -5.107 5.875 356 HB ILE 49 HB ILE 49 -0.451 -5.110 6.555 357 HG12 ILE 49 1HG1 ILE 49 0.939 -4.877 8.924 358 HG13 ILE 49 2HG1 ILE 49 1.982 -3.944 7.851 359 HG21 ILE 49 1HG2 ILE 49 1.873 -6.875 7.528 360 HG22 ILE 49 2HG2 ILE 49 0.203 -6.945 8.105 361 HG23 ILE 49 3HG2 ILE 49 0.552 -7.394 6.445 362 HD11 ILE 49 3HD1 ILE 49 0.052 -2.465 7.264 363 HD12 ILE 49 1HD1 ILE 49 -0.935 -3.387 8.421 364 HD13 ILE 49 2HD1 ILE 49 0.481 -2.471 8.981 365 H LEU 50 H LEU 50 2.526 -7.126 4.776 366 HA LEU 50 HA LEU 50 0.829 -7.224 2.313 367 HB2 LEU 50 1HB LEU 50 3.718 -8.074 2.623 368 HB3 LEU 50 2HB LEU 50 2.705 -8.533 1.271 369 HG LEU 50 HG LEU 50 3.543 -5.662 1.915 370 HD11 LEU 50 1HD1 LEU 50 5.346 -6.991 1.006 371 HD12 LEU 50 2HD1 LEU 50 4.794 -5.847 -0.217 372 HD13 LEU 50 3HD1 LEU 50 4.301 -7.547 -0.323 373 HD21 LEU 50 3HD2 LEU 50 2.624 -5.120 -0.286 374 HD22 LEU 50 1HD2 LEU 50 1.510 -5.299 1.081 375 HD23 LEU 50 2HD2 LEU 50 1.639 -6.600 -0.115 376 H THR 51 H THR 51 -0.084 -9.249 1.844 377 HA THR 51 HA THR 51 0.124 -11.252 4.057 378 HB THR 51 HB THR 51 -2.144 -11.561 4.103 379 HG1 THR 51 1HG THR 51 -2.361 -11.835 1.909 380 HG21 THR 51 3HG2 THR 51 -2.080 -8.623 3.336 381 HG22 THR 51 1HG2 THR 51 -1.626 -9.276 4.931 382 HG23 THR 51 2HG2 THR 51 -3.283 -9.469 4.334 383 H GLY 52 H GLY 52 1.785 -11.238 1.667 384 HA2 GLY 52 1HA GLY 52 0.908 -13.785 0.367 385 HA3 GLY 52 2HA GLY 52 1.656 -12.446 -0.538 386 H GLU 53 H GLU 53 2.610 -15.206 -0.198 387 HA GLU 53 HA GLU 53 4.675 -14.959 1.873 388 HB2 GLU 53 1HB GLU 53 3.465 -17.407 0.583 389 HB3 GLU 53 2HB GLU 53 4.510 -17.369 2.015 390 HG2 GLU 53 1HG GLU 53 2.797 -15.924 3.147 391 HG3 GLU 53 2HG GLU 53 1.697 -16.174 1.785 392 H ASP 54 H ASP 54 4.766 -14.349 -1.309 393 HA ASP 54 HA ASP 54 7.630 -14.987 -1.453 394 HB2 ASP 54 1HB ASP 54 6.118 -16.811 -2.663 395 HB3 ASP 54 2HB ASP 54 5.830 -15.562 -3.850 396 HA PRO 55 HA PRO 55 7.220 -10.813 -3.061 397 HB2 PRO 55 1HB PRO 55 9.686 -10.459 -4.174 398 HB3 PRO 55 2HB PRO 55 9.376 -10.554 -2.424 399 HG2 PRO 55 1HG PRO 55 10.280 -12.832 -4.186 400 HG3 PRO 55 2HG PRO 55 11.010 -12.265 -2.663 401 HD2 PRO 55 1HD PRO 55 9.326 -14.295 -2.627 402 HD3 PRO 55 2HD PRO 55 9.236 -13.044 -1.367 403 H SER 56 H SER 56 7.745 -13.553 -4.992 404 HA SER 56 HA SER 56 7.407 -12.547 -7.661 405 HB2 SER 56 1HB SER 56 8.017 -14.873 -7.160 406 HB3 SER 56 2HB SER 56 6.481 -15.121 -6.308 407 HG SER 56 HG SER 56 6.833 -14.597 -9.076 408 H ALA 57 H ALA 57 5.149 -12.861 -4.953 409 HA ALA 57 HA ALA 57 2.787 -13.121 -6.553 410 HB1 ALA 57 1HB ALA 57 1.742 -13.431 -4.461 411 HB2 ALA 57 2HB ALA 57 3.358 -14.105 -4.229 412 HB3 ALA 57 3HB ALA 57 2.979 -12.493 -3.585 413 H TYR 58 H TYR 58 4.475 -10.488 -6.674 414 HA TYR 58 HA TYR 58 2.225 -8.583 -6.550 415 HB2 TYR 58 1HB TYR 58 4.872 -8.275 -5.093 416 HB3 TYR 58 2HB TYR 58 3.811 -6.920 -5.424 417 HD1 TYR 58 2HD TYR 58 4.144 -10.071 -3.470 418 HD2 TYR 58 1HD TYR 58 1.781 -6.527 -4.170 419 HE1 TYR 58 2HE TYR 58 2.832 -10.538 -1.437 420 HE2 TYR 58 1HE TYR 58 0.483 -6.974 -2.126 421 HH TYR 58 HH TYR 58 0.258 -8.346 -0.239 422 H SER 59 H SER 59 3.470 -6.299 -7.326 423 HA SER 59 HA SER 59 5.295 -6.725 -9.543 424 HB2 SER 59 1HB SER 59 2.855 -6.933 -10.424 425 HB3 SER 59 2HB SER 59 2.645 -5.261 -9.982 426 HG SER 59 HG SER 59 4.882 -5.829 -11.566 427 H ALA 60 H ALA 60 5.874 -4.378 -10.377 428 HA ALA 60 HA ALA 60 4.839 -2.158 -8.879 429 HB1 ALA 60 1HB ALA 60 7.821 -2.643 -8.737 430 HB2 ALA 60 2HB ALA 60 6.921 -1.232 -8.163 431 HB3 ALA 60 3HB ALA 60 6.645 -2.784 -7.375 432 H GLY 61 H GLY 61 5.797 -0.102 -9.956 433 HA2 GLY 61 1HA GLY 61 5.582 -0.560 -12.886 434 HA3 GLY 61 2HA GLY 61 5.232 0.927 -12.016 435 H ASP 62 H ASP 62 6.765 2.505 -11.946 436 HA ASP 62 HA ASP 62 9.463 1.841 -13.048 437 HB2 ASP 62 1HB ASP 62 8.042 3.481 -14.285 438 HB3 ASP 62 2HB ASP 62 8.105 4.554 -12.885 439 H GLY 63 H GLY 63 7.778 2.874 -10.253 440 HA2 GLY 63 1HA GLY 63 10.180 2.361 -8.751 441 HA3 GLY 63 2HA GLY 63 9.231 3.806 -8.280 442 H LEU 64 H LEU 64 8.103 3.118 -6.588 443 HA LEU 64 HA LEU 64 6.016 1.076 -6.826 444 HB2 LEU 64 1HB LEU 64 7.917 -0.355 -6.398 445 HB3 LEU 64 2HB LEU 64 8.398 0.560 -4.985 446 HG LEU 64 HG LEU 64 7.183 -1.746 -4.814 447 HD11 LEU 64 1HD1 LEU 64 6.181 -1.186 -2.635 448 HD12 LEU 64 2HD1 LEU 64 6.339 0.545 -2.985 449 HD13 LEU 64 3HD1 LEU 64 7.768 -0.490 -2.867 450 HD21 LEU 64 3HD2 LEU 64 4.640 -0.050 -4.895 451 HD22 LEU 64 1HD2 LEU 64 4.829 -1.778 -4.592 452 HD23 LEU 64 2HD2 LEU 64 5.210 -1.124 -6.194 453 H ARG 65 H ARG 65 7.952 3.011 -4.460 454 HA ARG 65 HA ARG 65 5.456 3.477 -2.896 455 HB2 ARG 65 1HB ARG 65 6.906 3.885 -1.004 456 HB3 ARG 65 2HB ARG 65 7.249 2.328 -1.732 457 HG2 ARG 65 1HG ARG 65 9.419 2.937 -1.575 458 HG3 ARG 65 2HG ARG 65 9.117 3.875 -3.018 459 HD2 ARG 65 1HD ARG 65 8.329 5.578 -0.901 460 HD3 ARG 65 2HD ARG 65 9.697 4.674 -0.242 461 HE ARG 65 HE ARG 65 10.170 5.700 -2.930 462 HH11 ARG 65 1HH1 ARG 65 10.338 6.557 0.537 463 HH12 ARG 65 2HH1 ARG 65 11.182 8.020 0.272 464 HH21 ARG 65 1HH2 ARG 65 11.313 7.694 -3.269 465 HH22 ARG 65 2HH2 ARG 65 11.686 8.705 -1.909 466 H ASP 66 H ASP 66 6.559 4.966 -5.369 467 HA ASP 66 HA ASP 66 7.854 7.311 -4.588 468 HB2 ASP 66 1HB ASP 66 6.501 6.310 -7.068 469 HB3 ASP 66 2HB ASP 66 6.871 8.036 -6.975 470 H GLY 67 H GLY 67 7.275 9.415 -4.420 471 HA2 GLY 67 1HA GLY 67 5.995 11.231 -3.804 472 HA3 GLY 67 2HA GLY 67 4.527 10.315 -4.117 473 H ALA 68 H ALA 68 5.425 8.039 -2.309 474 HA ALA 68 HA ALA 68 4.889 9.305 0.331 475 HB1 ALA 68 1HB ALA 68 4.434 6.457 -0.635 476 HB2 ALA 68 2HB ALA 68 3.984 7.125 0.957 477 HB3 ALA 68 3HB ALA 68 3.187 7.725 -0.482 478 H ASP 69 H ASP 69 5.719 7.564 2.044 479 HA ASP 69 HA ASP 69 8.322 6.360 1.641 480 HB2 ASP 69 1HB ASP 69 8.878 8.750 1.730 481 HB3 ASP 69 2HB ASP 69 7.995 8.932 3.258 482 H PHE 70 H PHE 70 7.370 4.499 2.527 483 HA PHE 70 HA PHE 70 6.229 4.590 5.247 484 HB2 PHE 70 1HB PHE 70 4.205 3.298 4.470 485 HB3 PHE 70 2HB PHE 70 4.344 4.710 3.723 486 HD1 PHE 70 1HD PHE 70 5.335 1.138 3.135 487 HD2 PHE 70 2HD PHE 70 4.376 4.940 1.367 488 HE1 PHE 70 1HE PHE 70 5.335 0.109 0.901 489 HE2 PHE 70 2HE PHE 70 4.245 3.850 -0.894 490 HZ PHE 70 HZ PHE 70 4.774 1.450 -1.091 491 H LEU 71 H LEU 71 5.930 2.181 5.927 492 HA LEU 71 HA LEU 71 8.425 0.673 5.174 493 HB2 LEU 71 1HB LEU 71 6.705 0.628 7.704 494 HB3 LEU 71 2HB LEU 71 7.796 -0.668 7.342 495 HG LEU 71 HG LEU 71 8.785 2.191 7.464 496 HD11 LEU 71 1HD1 LEU 71 7.807 1.634 9.637 497 HD12 LEU 71 2HD1 LEU 71 9.587 1.662 9.726 498 HD13 LEU 71 3HD1 LEU 71 8.723 0.105 9.682 499 HD21 LEU 71 3HD2 LEU 71 10.164 -0.524 7.548 500 HD22 LEU 71 1HD2 LEU 71 10.947 1.014 7.909 501 HD23 LEU 71 2HD2 LEU 71 10.295 0.746 6.294 502 H ILE 72 H ILE 72 8.310 -1.641 4.935 503 HA ILE 72 HA ILE 72 5.681 -2.700 4.060 504 HB ILE 72 HB ILE 72 8.433 -3.256 3.031 505 HG12 ILE 72 1HG1 ILE 72 6.016 -1.925 1.685 506 HG13 ILE 72 2HG1 ILE 72 7.327 -0.988 2.371 507 HG21 ILE 72 1HG2 ILE 72 7.438 -4.657 1.285 508 HG22 ILE 72 2HG2 ILE 72 7.023 -5.270 2.849 509 HG23 ILE 72 3HG2 ILE 72 5.804 -4.365 1.913 510 HD11 ILE 72 3HD1 ILE 72 8.710 -1.359 0.619 511 HD12 ILE 72 1HD1 ILE 72 8.010 -2.926 0.178 512 HD13 ILE 72 2HD1 ILE 72 7.149 -1.421 -0.190 513 H CYS 73 H CYS 73 4.996 -3.887 5.766 514 HA CYS 73 HA CYS 73 6.887 -5.389 7.415 515 HB2 CYS 73 1HB CYS 73 3.942 -4.884 7.935 516 HB3 CYS 73 2HB CYS 73 5.175 -5.304 9.131 517 HG CYS 73 HG CYS 73 6.304 -3.107 9.347 518 H VAL 74 H VAL 74 7.106 -7.625 6.909 519 HA VAL 74 HA VAL 74 4.883 -8.849 5.318 520 HB VAL 74 HB VAL 74 6.640 -10.139 4.186 521 HG11 VAL 74 1HG1 VAL 74 7.145 -7.138 4.106 522 HG12 VAL 74 2HG1 VAL 74 7.631 -8.300 2.872 523 HG13 VAL 74 3HG1 VAL 74 5.908 -8.019 3.184 524 HG21 VAL 74 3HG2 VAL 74 8.377 -10.164 5.960 525 HG22 VAL 74 1HG2 VAL 74 9.000 -9.625 4.387 526 HG23 VAL 74 2HG2 VAL 74 8.686 -8.441 5.664 527 HA PRO 75 HA PRO 75 4.496 -11.918 8.359 528 HB2 PRO 75 1HB PRO 75 4.257 -14.351 6.951 529 HB3 PRO 75 2HB PRO 75 2.947 -13.186 7.266 530 HG2 PRO 75 1HG PRO 75 4.588 -13.556 4.783 531 HG3 PRO 75 2HG PRO 75 2.868 -13.094 4.914 532 HD2 PRO 75 1HD PRO 75 4.878 -11.314 4.364 533 HD3 PRO 75 2HD PRO 75 3.409 -10.847 5.249 534 H GLU 76 H GLU 76 5.725 -13.309 9.607 535 HA GLU 76 HA GLU 76 8.454 -13.072 9.293 536 HB2 GLU 76 1HB GLU 76 8.802 -14.525 11.138 537 HB3 GLU 76 2HB GLU 76 7.400 -13.504 11.454 538 HG2 GLU 76 1HG GLU 76 5.884 -15.336 11.116 539 HG3 GLU 76 2HG GLU 76 7.132 -16.375 10.458 540 H GLU 77 H GLU 77 6.475 -15.823 8.208 541 HA GLU 77 HA GLU 77 8.658 -17.567 7.654 542 HB2 GLU 77 1HB GLU 77 5.808 -17.603 7.349 543 HB3 GLU 77 2HB GLU 77 6.493 -18.011 5.780 544 HG2 GLU 77 1HG GLU 77 7.270 -19.450 8.334 545 HG3 GLU 77 2HG GLU 77 5.967 -19.952 7.279 546 H ALA 78 H ALA 78 7.108 -14.974 5.769 547 HA ALA 78 HA ALA 78 8.362 -15.752 3.238 548 HB1 ALA 78 1HB ALA 78 7.167 -13.897 2.344 549 HB2 ALA 78 2HB ALA 78 6.076 -14.729 3.446 550 HB3 ALA 78 3HB ALA 78 6.852 -13.207 3.954 551 H LEU 79 H LEU 79 9.152 -13.776 5.955 552 HA LEU 79 HA LEU 79 10.198 -11.507 5.046 553 HB2 LEU 79 1HB LEU 79 9.976 -12.167 7.400 554 HB3 LEU 79 2HB LEU 79 11.372 -13.230 7.248 555 HG LEU 79 HG LEU 79 12.856 -11.286 6.878 556 HD11 LEU 79 1HD1 LEU 79 11.283 -9.689 5.832 557 HD12 LEU 79 2HD1 LEU 79 12.011 -8.986 7.278 558 HD13 LEU 79 3HD1 LEU 79 10.345 -9.602 7.344 559 HD21 LEU 79 3HD2 LEU 79 12.488 -12.098 9.155 560 HD22 LEU 79 1HD2 LEU 79 11.019 -11.114 9.314 561 HD23 LEU 79 2HD2 LEU 79 12.602 -10.332 9.183 562 H ASP 80 H ASP 80 12.287 -14.435 5.340 563 HA ASP 80 HA ASP 80 14.525 -13.053 4.182 564 HB2 ASP 80 1HB ASP 80 14.324 -15.259 5.731 565 HB3 ASP 80 2HB ASP 80 14.433 -16.044 4.141 566 H ARG 81 H ARG 81 11.968 -15.019 2.787 567 HA ARG 81 HA ARG 81 13.071 -15.451 0.163 568 HB2 ARG 81 1HB ARG 81 10.478 -15.767 1.511 569 HB3 ARG 81 2HB ARG 81 10.258 -15.030 -0.063 570 HG2 ARG 81 1HG ARG 81 11.435 -16.877 -1.159 571 HG3 ARG 81 2HG ARG 81 11.784 -17.607 0.423 572 HD2 ARG 81 1HD ARG 81 9.272 -17.669 0.847 573 HD3 ARG 81 2HD ARG 81 9.033 -17.120 -0.810 574 HE ARG 81 HE ARG 81 9.512 -19.175 -1.613 575 HH11 ARG 81 1HH1 ARG 81 10.315 -19.140 1.860 576 HH12 ARG 81 2HH1 ARG 81 10.267 -20.844 2.040 577 HH21 ARG 81 1HH2 ARG 81 9.562 -21.486 -1.365 578 HH22 ARG 81 2HH2 ARG 81 9.581 -22.158 0.238 579 H TYR 82 H TYR 82 11.148 -12.852 1.669 580 HA TYR 82 HA TYR 82 10.940 -11.243 -0.691 581 HB2 TYR 82 1HB TYR 82 10.540 -10.831 2.278 582 HB3 TYR 82 2HB TYR 82 10.710 -9.414 1.278 583 HD1 TYR 82 1HD TYR 82 8.844 -12.720 1.070 584 HD2 TYR 82 2HD TYR 82 8.701 -8.418 0.591 585 HE1 TYR 82 1HE TYR 82 6.439 -12.845 0.533 586 HE2 TYR 82 2HE TYR 82 6.355 -8.588 -0.062 587 HH TYR 82 HH TYR 82 4.496 -11.506 0.538 588 H ARG 83 H ARG 83 13.384 -11.415 1.898 589 HA ARG 83 HA ARG 83 14.849 -9.081 1.097 590 HB2 ARG 83 1HB ARG 83 15.511 -11.549 2.774 591 HB3 ARG 83 2HB ARG 83 16.726 -10.374 2.375 592 HG2 ARG 83 1HG ARG 83 14.930 -8.606 3.287 593 HG3 ARG 83 2HG ARG 83 14.277 -10.030 4.101 594 HD2 ARG 83 1HD ARG 83 15.857 -8.970 5.589 595 HD3 ARG 83 2HD ARG 83 16.574 -10.484 5.026 596 HE ARG 83 HE ARG 83 17.299 -8.343 3.270 597 HH11 ARG 83 1HH1 ARG 83 18.128 -9.681 6.445 598 HH12 ARG 83 2HH1 ARG 83 19.741 -9.043 6.438 599 HH21 ARG 83 1HH2 ARG 83 19.312 -7.675 3.153 600 HH22 ARG 83 2HH2 ARG 83 20.518 -7.954 4.387 601 H ARG 84 H ARG 84 15.065 -12.427 -0.065 602 HA ARG 84 HA ARG 84 17.629 -11.894 -1.368 603 HB2 ARG 84 1HB ARG 84 17.551 -14.207 -2.104 604 HB3 ARG 84 2HB ARG 84 17.280 -14.033 -0.373 605 HG2 ARG 84 1HG ARG 84 14.858 -14.349 -0.702 606 HG3 ARG 84 2HG ARG 84 15.090 -14.420 -2.459 607 HD2 ARG 84 1HD ARG 84 16.732 -16.378 -1.820 608 HD3 ARG 84 2HD ARG 84 15.846 -16.397 -0.276 609 HE ARG 84 HE ARG 84 14.218 -16.446 -2.754 610 HH11 ARG 84 1HH1 ARG 84 15.671 -18.515 -0.198 611 HH12 ARG 84 2HH1 ARG 84 14.474 -19.739 -0.396 612 HH21 ARG 84 1HH2 ARG 84 12.904 -18.099 -3.151 613 HH22 ARG 84 2HH2 ARG 84 13.027 -19.632 -2.314 614 H ASP 85 H ASP 85 14.914 -10.507 -2.331 615 HA ASP 85 HA ASP 85 14.338 -11.757 -4.825 616 HB2 ASP 85 1HB ASP 85 12.856 -10.288 -3.283 617 HB3 ASP 85 2HB ASP 85 13.698 -8.911 -4.037 618 H TYR 86 H TYR 86 14.381 -10.603 -7.014 619 HA TYR 86 HA TYR 86 17.065 -9.454 -7.426 620 HB2 TYR 86 1HB TYR 86 16.097 -11.319 -8.836 621 HB3 TYR 86 2HB TYR 86 15.010 -10.122 -9.524 622 HD1 TYR 86 1HD TYR 86 15.983 -8.053 -10.660 623 HD2 TYR 86 2HD TYR 86 18.347 -11.490 -9.635 624 HE1 TYR 86 1HE TYR 86 17.805 -7.266 -12.196 625 HE2 TYR 86 2HE TYR 86 20.147 -10.716 -11.190 626 HH TYR 86 HH TYR 86 20.099 -7.557 -12.715 627 H PHE 87 H PHE 87 13.580 -8.518 -7.504 628 HA PHE 87 HA PHE 87 14.288 -5.820 -8.494 629 HB2 PHE 87 1HB PHE 87 12.204 -6.783 -9.329 630 HB3 PHE 87 2HB PHE 87 11.608 -7.025 -7.700 631 HD1 PHE 87 1HD PHE 87 12.412 -4.489 -10.292 632 HD2 PHE 87 2HD PHE 87 10.790 -5.114 -6.340 633 HE1 PHE 87 1HE PHE 87 11.523 -2.183 -10.287 634 HE2 PHE 87 2HE PHE 87 9.949 -2.780 -6.327 635 HZ PHE 87 HZ PHE 87 10.312 -1.313 -8.309 636 H TRP 88 H TRP 88 12.541 -7.238 -5.709 637 HA TRP 88 HA TRP 88 12.411 -4.791 -4.305 638 HB2 TRP 88 1HB TRP 88 11.970 -7.635 -3.374 639 HB3 TRP 88 2HB TRP 88 11.602 -6.237 -2.431 640 HD1 TRP 88 HD TRP 88 10.236 -8.295 -5.326 641 HE1 TRP 88 1HE TRP 88 7.825 -7.517 -5.810 642 HE3 TRP 88 3HE TRP 88 10.040 -4.143 -2.302 643 HZ2 TRP 88 2HZ TRP 88 6.068 -5.415 -5.021 644 HZ3 TRP 88 3HZ TRP 88 7.908 -2.890 -2.081 645 HH2 TRP 88 HH TRP 88 5.924 -3.531 -3.419 646 H GLN 89 H GLN 89 15.133 -6.733 -4.490 647 HA GLN 89 HA GLN 89 16.434 -6.770 -2.234 648 HB2 GLN 89 1HB GLN 89 18.612 -6.176 -3.460 649 HB3 GLN 89 2HB GLN 89 17.736 -7.727 -3.529 650 HG2 GLN 89 1HG GLN 89 16.547 -7.200 -5.398 651 HG3 GLN 89 2HG GLN 89 16.977 -5.501 -5.146 652 HE21 GLN 89 1HE2 GLN 89 18.435 -8.694 -5.766 653 HE22 GLN 89 2HE2 GLN 89 19.544 -8.175 -7.040 654 H THR 90 H THR 90 16.499 -3.951 -4.293 655 HA THR 90 HA THR 90 17.941 -2.181 -2.690 656 HB THR 90 HB THR 90 17.524 -1.740 -4.997 657 HG1 THR 90 1HG THR 90 16.568 0.439 -4.727 658 HG21 THR 90 3HG2 THR 90 15.251 -2.757 -5.168 659 HG22 THR 90 1HG2 THR 90 15.461 -1.201 -5.995 660 HG23 THR 90 2HG2 THR 90 14.628 -1.243 -4.440 661 H TYR 91 H TYR 91 14.449 -2.959 -2.555 662 HA TYR 91 HA TYR 91 13.936 -0.844 -0.713 663 HB2 TYR 91 1HB TYR 91 12.218 -3.147 -1.638 664 HB3 TYR 91 2HB TYR 91 11.681 -1.903 -0.536 665 HD1 TYR 91 2HD TYR 91 11.509 0.451 -1.177 666 HD2 TYR 91 1HD TYR 91 12.600 -2.555 -4.080 667 HE1 TYR 91 2HE TYR 91 11.028 2.035 -3.041 668 HE2 TYR 91 1HE TYR 91 12.074 -0.991 -5.908 669 HH TYR 91 HH TYR 91 11.851 1.379 -6.357 670 H ALA 92 H ALA 92 15.884 -3.359 0.041 671 HA ALA 92 HA ALA 92 14.531 -4.721 2.118 672 HB1 ALA 92 1HB ALA 92 17.518 -4.291 1.731 673 HB2 ALA 92 2HB ALA 92 16.745 -5.530 2.757 674 HB3 ALA 92 3HB ALA 92 16.548 -5.615 1.018 675 H ALA 93 H ALA 93 16.144 -1.604 2.019 676 HA ALA 93 HA ALA 93 16.550 -1.289 4.757 677 HB1 ALA 93 1HB ALA 93 15.935 0.873 2.722 678 HB2 ALA 93 2HB ALA 93 16.644 1.126 4.327 679 HB3 ALA 93 3HB ALA 93 17.547 0.215 3.098 680 H TRP 94 H TRP 94 13.488 -1.590 3.174 681 HA TRP 94 HA TRP 94 12.140 -0.288 5.484 682 HB2 TRP 94 1HB TRP 94 11.235 -0.277 2.588 683 HB3 TRP 94 2HB TRP 94 10.395 0.450 3.939 684 HD1 TRP 94 HD TRP 94 11.450 2.724 4.979 685 HE1 TRP 94 1HE TRP 94 12.993 4.501 3.972 686 HE3 TRP 94 3HE TRP 94 13.031 0.183 0.893 687 HZ2 TRP 94 2HZ TRP 94 14.842 4.726 1.759 688 HZ3 TRP 94 3HZ TRP 94 14.711 1.204 -0.712 689 HH2 TRP 94 HH TRP 94 15.640 3.450 -0.230 690 H ILE 95 H ILE 95 13.013 -3.205 4.744 691 HA ILE 95 HA ILE 95 10.315 -4.471 4.792 692 HB ILE 95 HB ILE 95 13.016 -5.722 4.233 693 HG12 ILE 95 1HG1 ILE 95 10.621 -5.191 2.416 694 HG13 ILE 95 2HG1 ILE 95 12.140 -4.283 2.440 695 HG21 ILE 95 1HG2 ILE 95 11.723 -7.784 3.733 696 HG22 ILE 95 2HG2 ILE 95 11.457 -7.296 5.396 697 HG23 ILE 95 3HG2 ILE 95 10.212 -6.950 4.173 698 HD11 ILE 95 3HD1 ILE 95 13.337 -6.448 1.905 699 HD12 ILE 95 1HD1 ILE 95 11.734 -7.071 1.450 700 HD13 ILE 95 2HD1 ILE 95 12.401 -5.629 0.633 701 H GLN 96 H GLN 96 9.569 -5.038 6.731 702 HA GLN 96 HA GLN 96 11.415 -6.063 8.791 703 HB2 GLN 96 1HB GLN 96 9.890 -4.893 10.521 704 HB3 GLN 96 2HB GLN 96 11.148 -3.969 9.719 705 HG2 GLN 96 1HG GLN 96 9.552 -2.783 8.403 706 HG3 GLN 96 2HG GLN 96 8.273 -3.944 8.765 707 HE21 GLN 96 1HE2 GLN 96 10.619 -2.244 11.031 708 HE22 GLN 96 2HE2 GLN 96 9.325 -1.704 12.061 709 HA PRO 97 HA PRO 97 8.243 -9.169 9.075 710 HB2 PRO 97 1HB PRO 97 8.009 -9.714 11.761 711 HB3 PRO 97 2HB PRO 97 9.374 -10.243 10.742 712 HG2 PRO 97 1HG PRO 97 9.221 -7.808 12.545 713 HG3 PRO 97 2HG PRO 97 10.536 -9.024 12.442 714 HD2 PRO 97 1HD PRO 97 10.677 -6.647 11.160 715 HD3 PRO 97 2HD PRO 97 11.299 -8.122 10.379 716 H MET 98 H MET 98 6.088 -9.634 10.174 717 HA MET 98 HA MET 98 4.523 -7.156 10.575 718 HB2 MET 98 1HB MET 98 2.764 -8.146 9.582 719 HB3 MET 98 2HB MET 98 4.040 -9.054 8.789 720 HG2 MET 98 1HG MET 98 3.587 -10.987 9.933 721 HG3 MET 98 2HG MET 98 2.714 -10.197 11.237 722 HE1 MET 98 3HE MET 98 2.506 -10.965 7.319 723 HE2 MET 98 1HE MET 98 0.812 -10.548 7.002 724 HE3 MET 98 2HE MET 98 1.983 -9.279 7.408 725 H GLU 99 H GLU 99 2.690 -7.273 12.208 726 HA GLU 99 HA GLU 99 3.120 -9.090 14.457 727 HB2 GLU 99 1HB GLU 99 3.821 -6.222 14.365 728 HB3 GLU 99 2HB GLU 99 2.583 -6.488 15.575 729 HG2 GLU 99 1HG GLU 99 3.916 -8.321 16.556 730 HG3 GLU 99 2HG GLU 99 5.151 -8.071 15.313 731 H GLN 100 H GLN 100 1.389 -8.156 16.152 732 HA GLN 100 HA GLN 100 -1.166 -7.353 15.062 733 HB2 GLN 100 1HB GLN 100 -0.924 -9.680 17.021 734 HB3 GLN 100 2HB GLN 100 -2.409 -8.949 16.417 735 HG2 GLN 100 1HG GLN 100 -1.845 -9.767 14.130 736 HG3 GLN 100 2HG GLN 100 -0.414 -10.590 14.784 737 HE21 GLN 100 1HE2 GLN 100 -0.895 -12.139 16.713 738 HE22 GLN 100 2HE2 GLN 100 -2.367 -13.074 16.604 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -21.631 10.490 -6.686 2 HA2 GLY 1 1HA GLY 1 -23.246 12.314 -4.994 3 HA3 GLY 1 2HA GLY 1 -23.793 10.688 -5.494 4 H SER 2 H SER 2 -23.322 9.030 -4.119 5 HA SER 2 HA SER 2 -20.971 9.222 -2.334 6 HB2 SER 2 1HB SER 2 -23.308 7.738 -1.316 7 HB3 SER 2 2HB SER 2 -22.263 8.920 -0.521 8 HG SER 2 HG SER 2 -24.155 9.914 -0.573 9 H HIS 3 H HIS 3 -20.111 7.052 -1.761 10 HA HIS 3 HA HIS 3 -21.359 4.696 -2.458 11 HB2 HIS 3 1HB HIS 3 -19.928 3.676 -4.036 12 HB3 HIS 3 2HB HIS 3 -20.482 5.157 -4.779 13 HD1 HIS 3 1HD HIS 3 -18.489 7.266 -4.661 14 HD2 HIS 3 2HD HIS 3 -17.384 3.249 -3.948 15 HE1 HIS 3 1HE HIS 3 -15.983 7.127 -5.009 16 H GLU 4 H GLU 4 -19.596 2.833 -1.939 17 HA GLU 4 HA GLU 4 -18.515 3.694 0.669 18 HB2 GLU 4 1HB GLU 4 -19.345 1.023 -0.493 19 HB3 GLU 4 2HB GLU 4 -18.578 1.195 1.096 20 HG2 GLU 4 1HG GLU 4 -20.378 2.430 1.999 21 HG3 GLU 4 2HG GLU 4 -21.065 2.824 0.420 22 H GLY 5 H GLY 5 -16.795 4.794 -0.613 23 HA2 GLY 5 1HA GLY 5 -14.666 3.020 -1.684 24 HA3 GLY 5 2HA GLY 5 -15.068 4.645 -2.267 25 H GLU 6 H GLU 6 -13.418 2.794 0.115 26 HA GLU 6 HA GLU 6 -12.134 5.253 1.161 27 HB2 GLU 6 1HB GLU 6 -11.865 4.242 3.249 28 HB3 GLU 6 2HB GLU 6 -13.518 3.895 2.817 29 HG2 GLU 6 1HG GLU 6 -11.228 1.922 2.471 30 HG3 GLU 6 2HG GLU 6 -12.197 2.038 3.923 31 HA PRO 7 HA PRO 7 -8.626 4.093 -0.992 32 HB2 PRO 7 1HB PRO 7 -6.504 5.072 0.400 33 HB3 PRO 7 2HB PRO 7 -7.835 6.155 -0.056 34 HG2 PRO 7 1HG PRO 7 -7.526 4.610 2.552 35 HG3 PRO 7 2HG PRO 7 -7.759 6.359 2.360 36 HD2 PRO 7 1HD PRO 7 -9.817 4.743 2.874 37 HD3 PRO 7 2HD PRO 7 -10.015 6.078 1.689 38 H VAL 8 H VAL 8 -9.261 1.730 -0.434 39 HA VAL 8 HA VAL 8 -7.121 0.231 1.001 40 HB VAL 8 HB VAL 8 -10.149 0.084 0.971 41 HG11 VAL 8 1HG1 VAL 8 -10.091 -1.924 2.375 42 HG12 VAL 8 2HG1 VAL 8 -9.526 -2.273 0.748 43 HG13 VAL 8 3HG1 VAL 8 -8.357 -2.114 2.090 44 HG21 VAL 8 3HG2 VAL 8 -9.814 0.224 3.411 45 HG22 VAL 8 1HG2 VAL 8 -8.052 0.160 3.200 46 HG23 VAL 8 2HG2 VAL 8 -8.972 1.555 2.624 47 H VAL 9 H VAL 9 -6.764 -1.972 0.352 48 HA VAL 9 HA VAL 9 -6.615 -2.179 -2.537 49 HB VAL 9 HB VAL 9 -5.489 -4.048 -0.393 50 HG11 VAL 9 1HG1 VAL 9 -5.363 -3.986 -3.422 51 HG12 VAL 9 2HG1 VAL 9 -3.896 -4.404 -2.552 52 HG13 VAL 9 3HG1 VAL 9 -5.374 -5.350 -2.310 53 HG21 VAL 9 3HG2 VAL 9 -3.883 -2.018 -1.925 54 HG22 VAL 9 1HG2 VAL 9 -4.597 -1.665 -0.333 55 HG23 VAL 9 2HG2 VAL 9 -3.481 -2.983 -0.516 56 H GLY 10 H GLY 10 -9.047 -2.117 -2.550 57 HA2 GLY 10 1HA GLY 10 -10.222 -4.859 -2.557 58 HA3 GLY 10 2HA GLY 10 -11.077 -3.339 -2.766 59 H MET 11 H MET 11 -8.359 -5.053 -4.280 60 HA MET 11 HA MET 11 -7.653 -5.375 -6.342 61 HB2 MET 11 1HB MET 11 -10.242 -6.124 -6.484 62 HB3 MET 11 2HB MET 11 -10.207 -4.899 -7.767 63 HG2 MET 11 1HG MET 11 -8.114 -6.069 -8.623 64 HG3 MET 11 2HG MET 11 -8.381 -7.301 -7.391 65 HE1 MET 11 3HE MET 11 -9.414 -9.718 -9.981 66 HE2 MET 11 1HE MET 11 -7.948 -8.758 -9.665 67 HE3 MET 11 2HE MET 11 -8.847 -9.450 -8.315 68 H ASP 12 H ASP 12 -9.848 -2.560 -6.620 69 HA ASP 12 HA ASP 12 -8.581 -1.304 -8.785 70 HB2 ASP 12 1HB ASP 12 -10.496 -0.601 -6.639 71 HB3 ASP 12 2HB ASP 12 -9.545 0.766 -7.166 72 H LYS 13 H LYS 13 -6.296 -0.916 -8.895 73 HA LYS 13 HA LYS 13 -5.025 0.555 -6.664 74 HB2 LYS 13 1HB LYS 13 -3.948 -0.817 -9.169 75 HB3 LYS 13 2HB LYS 13 -2.983 0.184 -8.097 76 HG2 LYS 13 1HG LYS 13 -4.265 -2.509 -7.386 77 HG3 LYS 13 2HG LYS 13 -2.577 -2.079 -7.627 78 HD2 LYS 13 1HD LYS 13 -2.312 -1.624 -5.503 79 HD3 LYS 13 2HD LYS 13 -3.567 -0.386 -5.541 80 HE2 LYS 13 1HE LYS 13 -3.872 -3.348 -5.027 81 HE3 LYS 13 2HE LYS 13 -4.131 -2.019 -3.885 82 HZ1 LYS 13 3HZ LYS 13 -6.032 -1.328 -5.357 83 HZ2 LYS 13 1HZ LYS 13 -6.235 -2.845 -4.743 84 HZ3 LYS 13 2HZ LYS 13 -5.756 -2.642 -6.280 85 H SER 14 H SER 14 -6.468 2.249 -7.075 86 HA SER 14 HA SER 14 -5.706 4.140 -9.213 87 HB2 SER 14 1HB SER 14 -8.307 3.956 -9.776 88 HB3 SER 14 2HB SER 14 -7.135 2.815 -10.469 89 HG SER 14 HG SER 14 -9.074 1.827 -9.438 90 H LEU 15 H LEU 15 -7.110 3.508 -6.067 91 HA LEU 15 HA LEU 15 -8.441 6.163 -6.013 92 HB2 LEU 15 1HB LEU 15 -9.306 3.591 -4.695 93 HB3 LEU 15 2HB LEU 15 -10.210 5.096 -4.796 94 HG LEU 15 HG LEU 15 -9.534 3.365 -7.195 95 HD11 LEU 15 1HD1 LEU 15 -12.070 3.492 -5.570 96 HD12 LEU 15 2HD1 LEU 15 -10.954 2.119 -5.669 97 HD13 LEU 15 3HD1 LEU 15 -11.864 2.632 -7.096 98 HD21 LEU 15 3HD2 LEU 15 -11.340 4.687 -8.273 99 HD22 LEU 15 1HD2 LEU 15 -9.958 5.680 -7.799 100 HD23 LEU 15 2HD2 LEU 15 -11.444 5.705 -6.825 101 H PHE 16 H PHE 16 -5.725 4.968 -4.765 102 HA PHE 16 HA PHE 16 -6.149 5.091 -1.903 103 HB2 PHE 16 1HB PHE 16 -3.571 5.079 -3.544 104 HB3 PHE 16 2HB PHE 16 -3.654 5.074 -1.799 105 HD1 PHE 16 2HD PHE 16 -4.969 3.157 -4.780 106 HD2 PHE 16 1HD PHE 16 -3.700 3.020 -0.665 107 HE1 PHE 16 2HE PHE 16 -5.597 0.800 -4.656 108 HE2 PHE 16 1HE PHE 16 -4.199 0.595 -0.611 109 HZ PHE 16 HZ PHE 16 -5.262 -0.486 -2.587 110 H ALA 17 H ALA 17 -4.289 7.150 -4.168 111 HA ALA 17 HA ALA 17 -3.561 9.219 -2.519 112 HB1 ALA 17 1HB ALA 17 -3.389 10.579 -4.598 113 HB2 ALA 17 2HB ALA 17 -2.587 9.014 -4.696 114 HB3 ALA 17 3HB ALA 17 -4.160 9.262 -5.492 115 H GLY 18 H GLY 18 -5.185 9.848 -1.134 116 HA2 GLY 18 1HA GLY 18 -6.536 12.217 -1.862 117 HA3 GLY 18 2HA GLY 18 -7.738 10.915 -1.757 118 H ASN 19 H ASN 19 -6.577 9.315 0.262 119 HA ASN 19 HA ASN 19 -7.280 10.902 2.615 120 HB2 ASN 19 1HB ASN 19 -8.004 8.573 2.290 121 HB3 ASN 19 2HB ASN 19 -6.305 8.050 2.408 122 HD21 ASN 19 1HD2 ASN 19 -7.944 6.863 4.230 123 HD22 ASN 19 2HD2 ASN 19 -7.705 7.599 5.783 124 H THR 20 H THR 20 -5.826 12.253 3.509 125 HA THR 20 HA THR 20 -2.961 11.794 3.486 126 HB THR 20 HB THR 20 -3.162 14.057 4.723 127 HG1 THR 20 1HG THR 20 -5.149 14.181 5.458 128 HG21 THR 20 3HG2 THR 20 -4.484 13.865 1.978 129 HG22 THR 20 1HG2 THR 20 -2.737 13.980 2.286 130 HG23 THR 20 2HG2 THR 20 -3.805 15.324 2.718 131 H VAL 21 H VAL 21 -5.074 10.081 5.257 132 HA VAL 21 HA VAL 21 -3.551 10.203 7.779 133 HB VAL 21 HB VAL 21 -6.581 10.163 7.864 134 HG11 VAL 21 1HG1 VAL 21 -4.424 11.157 9.793 135 HG12 VAL 21 2HG1 VAL 21 -6.166 11.067 10.131 136 HG13 VAL 21 3HG1 VAL 21 -5.239 9.584 9.893 137 HG21 VAL 21 3HG2 VAL 21 -6.632 12.575 8.370 138 HG22 VAL 21 1HG2 VAL 21 -4.958 12.730 7.823 139 HG23 VAL 21 2HG2 VAL 21 -6.238 12.242 6.679 140 H ILE 22 H ILE 22 -3.094 8.226 5.964 141 HA ILE 22 HA ILE 22 -4.454 5.882 7.154 142 HB ILE 22 HB ILE 22 -5.539 6.040 5.166 143 HG12 ILE 22 1HG1 ILE 22 -3.379 3.953 4.781 144 HG13 ILE 22 2HG1 ILE 22 -4.678 3.857 5.964 145 HG21 ILE 22 1HG2 ILE 22 -2.960 6.137 3.548 146 HG22 ILE 22 2HG2 ILE 22 -4.640 6.271 2.952 147 HG23 ILE 22 3HG2 ILE 22 -3.946 7.561 3.911 148 HD11 ILE 22 3HD1 ILE 22 -5.245 2.557 3.982 149 HD12 ILE 22 1HD1 ILE 22 -6.365 3.909 4.229 150 HD13 ILE 22 2HD1 ILE 22 -5.109 3.991 2.956 151 H ARG 23 H ARG 23 -2.887 5.700 8.592 152 HA ARG 23 HA ARG 23 -0.072 5.750 7.907 153 HB2 ARG 23 1HB ARG 23 -1.518 4.851 10.413 154 HB3 ARG 23 2HB ARG 23 0.247 4.814 10.214 155 HG2 ARG 23 1HG ARG 23 0.202 7.268 9.642 156 HG3 ARG 23 2HG ARG 23 -1.529 7.287 10.036 157 HD2 ARG 23 1HD ARG 23 -0.912 6.406 12.343 158 HD3 ARG 23 2HD ARG 23 0.789 6.583 11.887 159 HE ARG 23 HE ARG 23 0.678 8.840 12.081 160 HH11 ARG 23 1HH1 ARG 23 -2.681 7.571 12.300 161 HH12 ARG 23 2HH1 ARG 23 -3.286 9.030 12.970 162 HH21 ARG 23 1HH2 ARG 23 -0.254 10.787 12.908 163 HH22 ARG 23 2HH2 ARG 23 -1.977 10.934 13.089 164 H GLU 24 H GLU 24 -2.501 3.312 7.557 165 HA GLU 24 HA GLU 24 -0.391 1.263 7.240 166 HB2 GLU 24 1HB GLU 24 -2.354 1.419 9.403 167 HB3 GLU 24 2HB GLU 24 -2.620 -0.015 8.439 168 HG2 GLU 24 1HG GLU 24 -0.096 -0.431 8.610 169 HG3 GLU 24 2HG GLU 24 -0.076 0.839 9.837 170 H ILE 25 H ILE 25 -0.605 0.255 5.500 171 HA ILE 25 HA ILE 25 -3.256 -0.105 4.172 172 HB ILE 25 HB ILE 25 -0.638 0.573 2.790 173 HG12 ILE 25 1HG1 ILE 25 -3.102 2.326 2.988 174 HG13 ILE 25 2HG1 ILE 25 -1.683 2.481 4.025 175 HG21 ILE 25 1HG2 ILE 25 -3.476 0.299 1.662 176 HG22 ILE 25 2HG2 ILE 25 -1.991 0.632 0.725 177 HG23 ILE 25 3HG2 ILE 25 -2.208 -0.931 1.502 178 HD11 ILE 25 3HD1 ILE 25 -1.761 2.888 1.014 179 HD12 ILE 25 1HD1 ILE 25 -1.488 4.107 2.265 180 HD13 ILE 25 2HD1 ILE 25 -0.266 2.846 1.979 181 H THR 26 H THR 26 -3.361 -2.121 5.101 182 HA THR 26 HA THR 26 -1.349 -4.163 4.446 183 HB THR 26 HB THR 26 -4.268 -4.488 5.230 184 HG1 THR 26 1HG THR 26 -2.882 -3.802 6.916 185 HG21 THR 26 3HG2 THR 26 -2.056 -6.569 4.821 186 HG22 THR 26 1HG2 THR 26 -3.574 -6.453 3.892 187 HG23 THR 26 2HG2 THR 26 -3.616 -6.881 5.601 188 H VAL 27 H VAL 27 -1.216 -5.398 2.602 189 HA VAL 27 HA VAL 27 -3.050 -4.947 0.334 190 HB VAL 27 HB VAL 27 -0.044 -5.308 0.065 191 HG11 VAL 27 1HG1 VAL 27 -1.859 -3.848 -1.886 192 HG12 VAL 27 2HG1 VAL 27 -0.228 -4.459 -2.140 193 HG13 VAL 27 3HG1 VAL 27 -1.566 -5.588 -1.998 194 HG21 VAL 27 3HG2 VAL 27 -1.498 -2.649 0.212 195 HG22 VAL 27 1HG2 VAL 27 -0.194 -3.219 1.288 196 HG23 VAL 27 2HG2 VAL 27 0.162 -2.875 -0.411 197 H GLN 28 H GLN 28 -2.920 -6.793 -1.159 198 HA GLN 28 HA GLN 28 -1.984 -9.327 0.032 199 HB2 GLN 28 1HB GLN 28 -4.519 -8.770 -1.611 200 HB3 GLN 28 2HB GLN 28 -3.955 -10.343 -1.081 201 HG2 GLN 28 1HG GLN 28 -5.455 -9.983 0.572 202 HG3 GLN 28 2HG GLN 28 -4.037 -9.268 1.335 203 HE21 GLN 28 1HE2 GLN 28 -4.257 -7.175 2.102 204 HE22 GLN 28 2HE2 GLN 28 -5.624 -6.127 1.728 205 HA PRO 29 HA PRO 29 0.073 -9.678 -3.894 206 HB2 PRO 29 1HB PRO 29 0.016 -12.355 -4.402 207 HB3 PRO 29 2HB PRO 29 1.055 -11.619 -3.137 208 HG2 PRO 29 1HG PRO 29 -1.630 -12.989 -2.825 209 HG3 PRO 29 2HG PRO 29 -0.163 -13.190 -1.821 210 HD2 PRO 29 1HD PRO 29 -2.179 -11.562 -1.062 211 HD3 PRO 29 2HD PRO 29 -0.481 -11.172 -0.710 212 H ASN 30 H ASN 30 -0.278 -10.603 -6.128 213 HA ASN 30 HA ASN 30 -1.451 -10.583 -8.071 214 HB2 ASN 30 1HB ASN 30 -3.302 -12.430 -6.551 215 HB3 ASN 30 2HB ASN 30 -3.035 -12.383 -8.285 216 HD21 ASN 30 1HD2 ASN 30 -2.145 -13.949 -5.484 217 HD22 ASN 30 2HD2 ASN 30 -0.635 -14.657 -5.962 218 H ILE 31 H ILE 31 -2.320 -8.360 -6.328 219 HA ILE 31 HA ILE 31 -5.160 -8.021 -7.184 220 HB ILE 31 HB ILE 31 -4.833 -8.656 -4.834 221 HG12 ILE 31 1HG1 ILE 31 -6.061 -5.901 -4.883 222 HG13 ILE 31 2HG1 ILE 31 -6.724 -7.184 -5.907 223 HG21 ILE 31 1HG2 ILE 31 -3.926 -7.107 -3.237 224 HG22 ILE 31 2HG2 ILE 31 -2.749 -7.277 -4.557 225 HG23 ILE 31 3HG2 ILE 31 -3.743 -5.834 -4.486 226 HD11 ILE 31 3HD1 ILE 31 -6.392 -7.478 -2.918 227 HD12 ILE 31 1HD1 ILE 31 -7.896 -7.018 -3.754 228 HD13 ILE 31 2HD1 ILE 31 -7.155 -8.604 -4.071 229 H GLY 32 H GLY 32 -2.183 -6.923 -7.925 230 HA2 GLY 32 1HA GLY 32 -2.841 -5.319 -9.812 231 HA3 GLY 32 2HA GLY 32 -3.064 -4.148 -8.515 232 H LEU 33 H LEU 33 -1.358 -3.391 -10.345 233 HA LEU 33 HA LEU 33 1.429 -4.034 -9.573 234 HB2 LEU 33 1HB LEU 33 1.056 -3.957 -11.974 235 HB3 LEU 33 2HB LEU 33 0.186 -2.444 -11.843 236 HG LEU 33 HG LEU 33 2.328 -1.316 -11.067 237 HD11 LEU 33 1HD1 LEU 33 3.580 -3.240 -10.278 238 HD12 LEU 33 2HD1 LEU 33 4.440 -2.471 -11.606 239 HD13 LEU 33 3HD1 LEU 33 3.524 -3.980 -11.906 240 HD21 LEU 33 3HD2 LEU 33 1.528 -1.143 -13.374 241 HD22 LEU 33 1HD2 LEU 33 2.367 -2.657 -13.801 242 HD23 LEU 33 2HD2 LEU 33 3.291 -1.213 -13.320 243 H LEU 34 H LEU 34 2.429 -2.783 -8.157 244 HA LEU 34 HA LEU 34 1.306 -0.204 -7.273 245 HB2 LEU 34 1HB LEU 34 3.724 -1.829 -6.407 246 HB3 LEU 34 2HB LEU 34 3.268 -0.290 -5.722 247 HG LEU 34 HG LEU 34 0.947 -2.034 -5.745 248 HD11 LEU 34 1HD1 LEU 34 3.415 -3.196 -4.435 249 HD12 LEU 34 2HD1 LEU 34 2.445 -3.879 -5.776 250 HD13 LEU 34 3HD1 LEU 34 1.745 -3.768 -4.161 251 HD21 LEU 34 3HD2 LEU 34 2.550 -1.128 -3.330 252 HD22 LEU 34 1HD2 LEU 34 0.836 -1.596 -3.392 253 HD23 LEU 34 2HD2 LEU 34 1.377 -0.097 -4.190 254 H TYR 35 H TYR 35 1.628 1.354 -8.762 255 HA TYR 35 HA TYR 35 4.207 1.461 -10.239 256 HB2 TYR 35 1HB TYR 35 2.935 2.780 -11.918 257 HB3 TYR 35 2HB TYR 35 2.403 1.131 -11.747 258 HD1 TYR 35 2HD TYR 35 1.579 4.605 -10.530 259 HD2 TYR 35 1HD TYR 35 0.122 0.672 -11.487 260 HE1 TYR 35 2HE TYR 35 -0.731 5.428 -10.282 261 HE2 TYR 35 1HE TYR 35 -2.214 1.485 -11.246 262 HH TYR 35 HH TYR 35 -3.500 3.369 -11.182 263 H ASP 36 H ASP 36 4.510 3.894 -11.015 264 HA ASP 36 HA ASP 36 5.274 5.311 -8.660 265 HB2 ASP 36 1HB ASP 36 6.301 6.851 -10.137 266 HB3 ASP 36 2HB ASP 36 6.598 5.236 -10.767 267 H GLY 37 H GLY 37 4.027 6.564 -7.450 268 HA2 GLY 37 1HA GLY 37 2.678 8.347 -6.949 269 HA3 GLY 37 2HA GLY 37 2.333 8.561 -8.662 270 H MET 38 H MET 38 1.754 5.415 -7.071 271 HA MET 38 HA MET 38 -1.178 5.626 -7.128 272 HB2 MET 38 1HB MET 38 0.862 3.700 -6.035 273 HB3 MET 38 2HB MET 38 -0.642 3.855 -5.132 274 HG2 MET 38 1HG MET 38 -1.966 3.337 -7.079 275 HG3 MET 38 2HG MET 38 -0.508 3.210 -8.079 276 HE1 MET 38 3HE MET 38 -0.870 1.767 -4.308 277 HE2 MET 38 1HE MET 38 -2.500 1.573 -5.003 278 HE3 MET 38 2HE MET 38 -1.491 0.154 -4.703 279 H PHE 39 H PHE 39 1.448 5.873 -4.700 280 HA PHE 39 HA PHE 39 -0.485 6.721 -2.685 281 HB2 PHE 39 1HB PHE 39 2.519 6.308 -2.506 282 HB3 PHE 39 2HB PHE 39 1.407 6.443 -1.144 283 HD1 PHE 39 2HD PHE 39 -0.738 4.686 -1.376 284 HD2 PHE 39 1HD PHE 39 3.231 4.147 -2.989 285 HE1 PHE 39 2HE PHE 39 -0.979 2.241 -1.178 286 HE2 PHE 39 1HE PHE 39 3.037 1.770 -2.756 287 HZ PHE 39 HZ PHE 39 0.921 0.732 -1.835 288 H SER 40 H SER 40 0.194 8.640 -4.897 289 HA SER 40 HA SER 40 1.712 10.851 -3.985 290 HB2 SER 40 1HB SER 40 0.808 10.567 -6.272 291 HB3 SER 40 2HB SER 40 -0.840 10.763 -5.645 292 HG SER 40 HG SER 40 -0.592 12.780 -5.733 293 H GLY 41 H GLY 41 1.472 12.046 -2.222 294 HA2 GLY 41 1HA GLY 41 0.415 13.441 -0.697 295 HA3 GLY 41 2HA GLY 41 -1.135 13.030 -1.430 296 H CYS 42 H CYS 42 0.565 10.155 -0.424 297 HA CYS 42 HA CYS 42 -1.205 9.863 1.921 298 HB2 CYS 42 1HB CYS 42 1.018 8.003 1.096 299 HB3 CYS 42 2HB CYS 42 -0.348 7.711 2.183 300 HG CYS 42 HG CYS 42 -0.508 8.443 -1.002 301 H THR 43 H THR 43 -0.274 12.006 2.713 302 HA THR 43 HA THR 43 2.393 12.390 3.426 303 HB THR 43 HB THR 43 1.213 14.263 4.822 304 HG1 THR 43 1HG THR 43 -0.930 14.491 4.464 305 HG21 THR 43 3HG2 THR 43 0.620 14.052 1.831 306 HG22 THR 43 1HG2 THR 43 2.136 14.634 2.551 307 HG23 THR 43 2HG2 THR 43 0.633 15.539 2.798 308 H ALA 44 H ALA 44 -0.188 10.833 5.212 309 HA ALA 44 HA ALA 44 1.705 10.284 7.442 310 HB1 ALA 44 1HB ALA 44 -0.076 11.777 8.258 311 HB2 ALA 44 2HB ALA 44 -1.307 10.657 7.639 312 HB3 ALA 44 3HB ALA 44 -0.235 10.139 8.946 313 H LEU 45 H LEU 45 2.077 8.730 5.480 314 HA LEU 45 HA LEU 45 0.694 6.158 6.095 315 HB2 LEU 45 1HB LEU 45 0.697 6.965 3.738 316 HB3 LEU 45 2HB LEU 45 2.448 6.975 3.771 317 HG LEU 45 HG LEU 45 0.574 4.639 3.545 318 HD11 LEU 45 1HD1 LEU 45 2.882 5.623 2.005 319 HD12 LEU 45 2HD1 LEU 45 1.184 5.585 1.572 320 HD13 LEU 45 3HD1 LEU 45 2.057 4.052 1.735 321 HD21 LEU 45 3HD2 LEU 45 2.098 2.982 3.956 322 HD22 LEU 45 1HD2 LEU 45 1.305 3.763 5.317 323 HD23 LEU 45 2HD2 LEU 45 2.987 4.186 4.954 324 H GLU 46 H GLU 46 2.017 4.819 7.450 325 HA GLU 46 HA GLU 46 4.922 5.121 7.035 326 HB2 GLU 46 1HB GLU 46 5.211 4.425 9.435 327 HB3 GLU 46 2HB GLU 46 4.920 6.117 9.004 328 HG2 GLU 46 1HG GLU 46 2.574 5.924 9.694 329 HG3 GLU 46 2HG GLU 46 2.811 4.184 9.915 330 H LYS 47 H LYS 47 2.237 2.812 7.134 331 HA LYS 47 HA LYS 47 4.308 0.680 6.787 332 HB2 LYS 47 1HB LYS 47 1.864 0.757 8.554 333 HB3 LYS 47 2HB LYS 47 2.448 -0.752 7.890 334 HG2 LYS 47 1HG LYS 47 4.770 -0.033 8.921 335 HG3 LYS 47 2HG LYS 47 3.776 1.053 9.918 336 HD2 LYS 47 1HD LYS 47 2.385 -0.844 10.649 337 HD3 LYS 47 2HD LYS 47 3.251 -1.940 9.553 338 HE2 LYS 47 1HE LYS 47 5.349 -1.564 10.843 339 HE3 LYS 47 2HE LYS 47 4.460 -0.502 11.947 340 HZ1 LYS 47 3HZ LYS 47 3.926 -3.399 11.542 341 HZ2 LYS 47 1HZ LYS 47 3.012 -2.404 12.466 342 HZ3 LYS 47 2HZ LYS 47 4.595 -2.715 12.856 343 H LEU 48 H LEU 48 3.899 -0.947 5.493 344 HA LEU 48 HA LEU 48 1.455 -1.133 3.863 345 HB2 LEU 48 1HB LEU 48 3.326 0.112 2.633 346 HB3 LEU 48 2HB LEU 48 4.297 -1.328 2.789 347 HG LEU 48 HG LEU 48 2.124 -2.502 1.686 348 HD11 LEU 48 1HD1 LEU 48 0.789 -0.484 1.613 349 HD12 LEU 48 2HD1 LEU 48 1.173 -0.945 -0.049 350 HD13 LEU 48 3HD1 LEU 48 2.055 0.399 0.705 351 HD21 LEU 48 3HD2 LEU 48 4.448 -2.456 0.693 352 HD22 LEU 48 1HD2 LEU 48 3.987 -0.938 -0.122 353 HD23 LEU 48 2HD2 LEU 48 3.115 -2.418 -0.479 354 H ILE 49 H ILE 49 0.751 -3.034 4.856 355 HA ILE 49 HA ILE 49 2.793 -5.118 5.484 356 HB ILE 49 HB ILE 49 -0.112 -5.005 6.326 357 HG12 ILE 49 1HG1 ILE 49 1.510 -4.799 8.634 358 HG13 ILE 49 2HG1 ILE 49 2.319 -3.753 7.477 359 HG21 ILE 49 1HG2 ILE 49 2.143 -6.886 7.216 360 HG22 ILE 49 2HG2 ILE 49 0.536 -6.795 7.955 361 HG23 ILE 49 3HG2 ILE 49 0.687 -7.329 6.297 362 HD11 ILE 49 3HD1 ILE 49 0.204 -2.523 7.098 363 HD12 ILE 49 1HD1 ILE 49 -0.611 -3.620 8.241 364 HD13 ILE 49 2HD1 ILE 49 0.688 -2.551 8.815 365 H LEU 50 H LEU 50 2.648 -7.190 4.529 366 HA LEU 50 HA LEU 50 1.016 -7.292 2.026 367 HB2 LEU 50 1HB LEU 50 3.874 -8.169 2.580 368 HB3 LEU 50 2HB LEU 50 3.040 -8.333 1.050 369 HG LEU 50 HG LEU 50 3.956 -5.749 2.394 370 HD11 LEU 50 1HD1 LEU 50 4.715 -7.231 -0.138 371 HD12 LEU 50 2HD1 LEU 50 5.728 -6.992 1.297 372 HD13 LEU 50 3HD1 LEU 50 5.326 -5.613 0.276 373 HD21 LEU 50 3HD2 LEU 50 2.354 -6.089 -0.166 374 HD22 LEU 50 1HD2 LEU 50 3.214 -4.602 0.304 375 HD23 LEU 50 2HD2 LEU 50 1.876 -5.187 1.283 376 H THR 51 H THR 51 -0.502 -9.002 2.309 377 HA THR 51 HA THR 51 0.031 -11.081 4.180 378 HB THR 51 HB THR 51 -2.028 -12.116 3.370 379 HG1 THR 51 1HG THR 51 -2.827 -11.665 1.495 380 HG21 THR 51 3HG2 THR 51 -3.594 -10.306 3.838 381 HG22 THR 51 1HG2 THR 51 -2.337 -9.085 3.570 382 HG23 THR 51 2HG2 THR 51 -2.214 -10.205 4.939 383 H GLY 52 H GLY 52 1.662 -10.859 1.280 384 HA2 GLY 52 1HA GLY 52 0.855 -13.505 0.229 385 HA3 GLY 52 2HA GLY 52 1.878 -12.351 -0.610 386 H GLU 53 H GLU 53 2.030 -15.278 0.342 387 HA GLU 53 HA GLU 53 4.149 -15.469 2.231 388 HB2 GLU 53 1HB GLU 53 2.628 -17.291 0.376 389 HB3 GLU 53 2HB GLU 53 4.029 -17.943 1.177 390 HG2 GLU 53 1HG GLU 53 3.175 -17.744 3.312 391 HG3 GLU 53 2HG GLU 53 2.125 -16.388 2.909 392 H ASP 54 H ASP 54 4.329 -14.729 -1.136 393 HA ASP 54 HA ASP 54 7.203 -15.523 -1.287 394 HB2 ASP 54 1HB ASP 54 5.484 -17.156 -2.394 395 HB3 ASP 54 2HB ASP 54 5.115 -15.856 -3.491 396 HA PRO 55 HA PRO 55 7.330 -11.308 -2.747 397 HB2 PRO 55 1HB PRO 55 9.691 -11.407 -4.239 398 HB3 PRO 55 2HB PRO 55 9.590 -11.214 -2.466 399 HG2 PRO 55 1HG PRO 55 10.070 -13.720 -4.077 400 HG3 PRO 55 2HG PRO 55 10.868 -13.234 -2.553 401 HD2 PRO 55 1HD PRO 55 8.931 -15.040 -2.511 402 HD3 PRO 55 2HD PRO 55 9.051 -13.802 -1.245 403 H SER 56 H SER 56 7.769 -13.993 -5.082 404 HA SER 56 HA SER 56 7.418 -12.430 -7.436 405 HB2 SER 56 1HB SER 56 7.136 -14.600 -8.557 406 HB3 SER 56 2HB SER 56 8.503 -14.614 -7.421 407 HG SER 56 HG SER 56 7.257 -15.730 -5.942 408 H ALA 57 H ALA 57 5.083 -13.313 -5.107 409 HA ALA 57 HA ALA 57 2.771 -13.437 -6.861 410 HB1 ALA 57 1HB ALA 57 2.843 -12.953 -3.878 411 HB2 ALA 57 2HB ALA 57 1.565 -13.707 -4.877 412 HB3 ALA 57 3HB ALA 57 3.075 -14.561 -4.603 413 H TYR 58 H TYR 58 4.780 -10.842 -5.990 414 HA TYR 58 HA TYR 58 2.609 -8.809 -5.995 415 HB2 TYR 58 1HB TYR 58 5.232 -9.091 -4.545 416 HB3 TYR 58 2HB TYR 58 4.660 -7.526 -4.914 417 HD1 TYR 58 1HD TYR 58 2.457 -6.637 -4.012 418 HD2 TYR 58 2HD TYR 58 4.122 -10.457 -2.819 419 HE1 TYR 58 1HE TYR 58 0.929 -6.705 -2.098 420 HE2 TYR 58 2HE TYR 58 2.623 -10.475 -0.883 421 HH TYR 58 HH TYR 58 0.644 -9.527 0.036 422 H SER 59 H SER 59 3.795 -6.479 -6.726 423 HA SER 59 HA SER 59 5.496 -6.720 -9.005 424 HB2 SER 59 1HB SER 59 2.753 -5.648 -9.602 425 HB3 SER 59 2HB SER 59 3.999 -6.166 -10.715 426 HG SER 59 HG SER 59 3.530 -8.259 -10.295 427 H ALA 60 H ALA 60 6.580 -4.805 -8.916 428 HA ALA 60 HA ALA 60 5.338 -2.452 -7.534 429 HB1 ALA 60 1HB ALA 60 7.670 -2.366 -6.389 430 HB2 ALA 60 2HB ALA 60 6.618 -3.720 -5.937 431 HB3 ALA 60 3HB ALA 60 7.957 -3.954 -7.082 432 H GLY 61 H GLY 61 6.641 -3.269 -10.329 433 HA2 GLY 61 1HA GLY 61 7.800 -2.284 -12.100 434 HA3 GLY 61 2HA GLY 61 6.915 -0.850 -11.598 435 H ASP 62 H ASP 62 7.999 0.782 -10.812 436 HA ASP 62 HA ASP 62 10.853 0.685 -9.918 437 HB2 ASP 62 1HB ASP 62 9.779 1.915 -12.407 438 HB3 ASP 62 2HB ASP 62 10.708 3.022 -11.420 439 H GLY 63 H GLY 63 7.707 1.668 -9.281 440 HA2 GLY 63 1HA GLY 63 8.483 4.265 -7.988 441 HA3 GLY 63 2HA GLY 63 7.106 4.107 -9.063 442 H LEU 64 H LEU 64 7.918 1.502 -6.883 443 HA LEU 64 HA LEU 64 5.397 1.140 -5.827 444 HB2 LEU 64 1HB LEU 64 7.035 -0.520 -5.584 445 HB3 LEU 64 2HB LEU 64 8.170 0.565 -4.757 446 HG LEU 64 HG LEU 64 6.738 0.633 -2.761 447 HD11 LEU 64 1HD1 LEU 64 4.505 0.277 -3.762 448 HD12 LEU 64 2HD1 LEU 64 4.837 -0.960 -2.548 449 HD13 LEU 64 3HD1 LEU 64 4.997 -1.359 -4.271 450 HD21 LEU 64 3HD2 LEU 64 8.444 -0.984 -2.749 451 HD22 LEU 64 1HD2 LEU 64 7.549 -2.041 -3.849 452 HD23 LEU 64 2HD2 LEU 64 6.971 -1.812 -2.179 453 H ARG 65 H ARG 65 8.062 3.074 -4.383 454 HA ARG 65 HA ARG 65 6.001 4.343 -2.662 455 HB2 ARG 65 1HB ARG 65 7.603 4.812 -0.974 456 HB3 ARG 65 2HB ARG 65 7.426 3.099 -1.212 457 HG2 ARG 65 1HG ARG 65 9.585 2.792 -1.356 458 HG3 ARG 65 2HG ARG 65 9.700 3.800 -2.788 459 HD2 ARG 65 1HD ARG 65 9.724 4.959 0.035 460 HD3 ARG 65 2HD ARG 65 11.187 4.373 -0.769 461 HE ARG 65 HE ARG 65 9.546 6.280 -2.252 462 HH11 ARG 65 1HH1 ARG 65 12.191 6.365 0.049 463 HH12 ARG 65 2HH1 ARG 65 13.158 7.403 -0.954 464 HH21 ARG 65 1HH2 ARG 65 10.749 7.846 -3.414 465 HH22 ARG 65 2HH2 ARG 65 12.351 8.250 -2.837 466 H ASP 66 H ASP 66 5.672 5.404 -4.696 467 HA ASP 66 HA ASP 66 7.480 7.796 -4.916 468 HB2 ASP 66 1HB ASP 66 7.339 6.142 -6.945 469 HB3 ASP 66 2HB ASP 66 5.745 6.841 -7.185 470 H GLY 67 H GLY 67 6.502 9.701 -4.347 471 HA2 GLY 67 1HA GLY 67 4.715 11.194 -4.111 472 HA3 GLY 67 2HA GLY 67 3.564 9.891 -4.401 473 H ALA 68 H ALA 68 5.527 8.344 -2.386 474 HA ALA 68 HA ALA 68 5.183 9.633 0.150 475 HB1 ALA 68 1HB ALA 68 3.796 6.951 -0.366 476 HB2 ALA 68 2HB ALA 68 3.977 7.722 1.208 477 HB3 ALA 68 3HB ALA 68 2.960 8.490 -0.036 478 H ASP 69 H ASP 69 6.110 8.054 1.866 479 HA ASP 69 HA ASP 69 7.944 6.040 0.915 480 HB2 ASP 69 1HB ASP 69 9.304 8.108 0.929 481 HB3 ASP 69 2HB ASP 69 8.900 8.356 2.629 482 H PHE 70 H PHE 70 7.158 4.518 1.989 483 HA PHE 70 HA PHE 70 6.126 4.706 4.785 484 HB2 PHE 70 1HB PHE 70 4.289 3.094 3.918 485 HB3 PHE 70 2HB PHE 70 4.382 4.604 3.172 486 HD1 PHE 70 2HD PHE 70 5.780 1.099 2.734 487 HD2 PHE 70 1HD PHE 70 4.503 4.769 0.817 488 HE1 PHE 70 2HE PHE 70 5.849 0.014 0.527 489 HE2 PHE 70 1HE PHE 70 4.514 3.621 -1.342 490 HZ PHE 70 HZ PHE 70 5.059 1.221 -1.485 491 H LEU 71 H LEU 71 5.895 2.127 5.476 492 HA LEU 71 HA LEU 71 8.610 0.910 5.077 493 HB2 LEU 71 1HB LEU 71 7.935 1.873 7.414 494 HB3 LEU 71 2HB LEU 71 6.766 0.552 7.471 495 HG LEU 71 HG LEU 71 8.746 -1.050 7.197 496 HD11 LEU 71 1HD1 LEU 71 10.951 -0.157 7.765 497 HD12 LEU 71 2HD1 LEU 71 10.293 1.501 7.854 498 HD13 LEU 71 3HD1 LEU 71 10.379 0.644 6.314 499 HD21 LEU 71 3HD2 LEU 71 9.467 -0.745 9.565 500 HD22 LEU 71 1HD2 LEU 71 7.706 -0.648 9.371 501 HD23 LEU 71 2HD2 LEU 71 8.665 0.825 9.597 502 H ILE 72 H ILE 72 8.616 -1.472 4.987 503 HA ILE 72 HA ILE 72 6.009 -2.523 4.044 504 HB ILE 72 HB ILE 72 8.809 -3.137 3.073 505 HG12 ILE 72 1HG1 ILE 72 6.483 -1.516 1.951 506 HG13 ILE 72 2HG1 ILE 72 8.076 -0.901 2.365 507 HG21 ILE 72 1HG2 ILE 72 7.324 -5.110 2.930 508 HG22 ILE 72 2HG2 ILE 72 6.104 -4.133 2.074 509 HG23 ILE 72 3HG2 ILE 72 7.690 -4.479 1.337 510 HD11 ILE 72 3HD1 ILE 72 9.023 -2.256 0.440 511 HD12 ILE 72 1HD1 ILE 72 7.344 -2.604 -0.021 512 HD13 ILE 72 2HD1 ILE 72 7.953 -0.933 0.020 513 H CYS 73 H CYS 73 5.235 -4.343 4.951 514 HA CYS 73 HA CYS 73 6.924 -5.678 7.018 515 HB2 CYS 73 1HB CYS 73 3.967 -5.176 7.289 516 HB3 CYS 73 2HB CYS 73 5.117 -5.622 8.542 517 HG CYS 73 HG CYS 73 6.256 -3.405 8.874 518 H VAL 74 H VAL 74 6.974 -7.901 6.763 519 HA VAL 74 HA VAL 74 4.878 -9.176 5.057 520 HB VAL 74 HB VAL 74 6.670 -10.637 4.178 521 HG11 VAL 74 1HG1 VAL 74 7.072 -7.667 3.616 522 HG12 VAL 74 2HG1 VAL 74 7.707 -8.995 2.637 523 HG13 VAL 74 3HG1 VAL 74 5.967 -8.796 2.797 524 HG21 VAL 74 3HG2 VAL 74 9.028 -9.994 4.330 525 HG22 VAL 74 1HG2 VAL 74 8.636 -8.695 5.472 526 HG23 VAL 74 2HG2 VAL 74 8.377 -10.398 5.928 527 HA PRO 75 HA PRO 75 4.610 -11.961 8.466 528 HB2 PRO 75 1HB PRO 75 4.273 -14.449 7.245 529 HB3 PRO 75 2HB PRO 75 2.966 -13.269 7.480 530 HG2 PRO 75 1HG PRO 75 4.608 -13.825 5.022 531 HG3 PRO 75 2HG PRO 75 2.862 -13.440 5.121 532 HD2 PRO 75 1HD PRO 75 4.743 -11.592 4.405 533 HD3 PRO 75 2HD PRO 75 3.295 -11.149 5.348 534 H GLU 76 H GLU 76 5.944 -13.446 9.602 535 HA GLU 76 HA GLU 76 8.653 -13.326 9.013 536 HB2 GLU 76 1HB GLU 76 9.160 -14.544 10.889 537 HB3 GLU 76 2HB GLU 76 7.609 -13.795 11.272 538 HG2 GLU 76 1HG GLU 76 6.476 -15.930 10.686 539 HG3 GLU 76 2HG GLU 76 8.041 -16.685 10.364 540 H GLU 77 H GLU 77 6.417 -15.984 8.002 541 HA GLU 77 HA GLU 77 8.353 -17.869 7.300 542 HB2 GLU 77 1HB GLU 77 5.557 -17.135 6.382 543 HB3 GLU 77 2HB GLU 77 6.444 -18.386 5.561 544 HG2 GLU 77 1HG GLU 77 6.599 -19.748 7.549 545 HG3 GLU 77 2HG GLU 77 5.870 -18.472 8.527 546 H ALA 78 H ALA 78 7.106 -14.990 5.676 547 HA ALA 78 HA ALA 78 8.336 -15.666 3.080 548 HB1 ALA 78 1HB ALA 78 6.720 -13.238 3.965 549 HB2 ALA 78 2HB ALA 78 7.107 -13.757 2.317 550 HB3 ALA 78 3HB ALA 78 6.025 -14.746 3.300 551 H LEU 79 H LEU 79 9.373 -14.151 5.988 552 HA LEU 79 HA LEU 79 10.267 -11.661 5.086 553 HB2 LEU 79 1HB LEU 79 9.834 -12.268 7.402 554 HB3 LEU 79 2HB LEU 79 11.227 -13.342 7.409 555 HG LEU 79 HG LEU 79 12.719 -11.329 7.011 556 HD11 LEU 79 1HD1 LEU 79 11.103 -9.754 6.050 557 HD12 LEU 79 2HD1 LEU 79 11.772 -9.093 7.541 558 HD13 LEU 79 3HD1 LEU 79 10.138 -9.793 7.538 559 HD21 LEU 79 3HD2 LEU 79 12.653 -12.157 9.174 560 HD22 LEU 79 1HD2 LEU 79 10.962 -11.755 9.422 561 HD23 LEU 79 2HD2 LEU 79 12.158 -10.461 9.445 562 H ASP 80 H ASP 80 12.418 -14.457 5.831 563 HA ASP 80 HA ASP 80 14.776 -13.368 4.590 564 HB2 ASP 80 1HB ASP 80 14.767 -15.201 6.209 565 HB3 ASP 80 2HB ASP 80 13.857 -16.198 5.083 566 H ARG 81 H ARG 81 12.142 -15.361 3.483 567 HA ARG 81 HA ARG 81 12.860 -16.053 0.889 568 HB2 ARG 81 1HB ARG 81 10.552 -16.152 2.461 569 HB3 ARG 81 2HB ARG 81 10.036 -15.171 1.096 570 HG2 ARG 81 1HG ARG 81 10.706 -16.925 -0.468 571 HG3 ARG 81 2HG ARG 81 11.310 -17.930 0.870 572 HD2 ARG 81 1HD ARG 81 8.452 -16.898 0.674 573 HD3 ARG 81 2HD ARG 81 8.948 -18.461 0.066 574 HE ARG 81 HE ARG 81 9.232 -17.687 2.939 575 HH11 ARG 81 1HH1 ARG 81 7.880 -20.036 0.602 576 HH12 ARG 81 2HH1 ARG 81 7.787 -21.283 1.817 577 HH21 ARG 81 1HH2 ARG 81 8.780 -19.175 4.462 578 HH22 ARG 81 2HH2 ARG 81 8.029 -20.692 4.071 579 H TYR 82 H TYR 82 11.060 -13.041 1.744 580 HA TYR 82 HA TYR 82 11.194 -11.857 -0.865 581 HB2 TYR 82 1HB TYR 82 10.658 -10.835 1.939 582 HB3 TYR 82 2HB TYR 82 10.924 -9.704 0.632 583 HD1 TYR 82 1HD TYR 82 8.882 -12.913 0.813 584 HD2 TYR 82 2HD TYR 82 8.964 -8.660 0.051 585 HE1 TYR 82 1HE TYR 82 6.446 -12.933 0.426 586 HE2 TYR 82 2HE TYR 82 6.526 -8.693 -0.267 587 HH TYR 82 HH TYR 82 4.613 -11.589 0.479 588 H ARG 83 H ARG 83 13.251 -11.567 2.074 589 HA ARG 83 HA ARG 83 15.018 -9.600 1.035 590 HB2 ARG 83 1HB ARG 83 15.305 -11.808 3.101 591 HB3 ARG 83 2HB ARG 83 16.723 -10.959 2.548 592 HG2 ARG 83 1HG ARG 83 15.334 -8.762 3.100 593 HG3 ARG 83 2HG ARG 83 14.310 -9.854 4.036 594 HD2 ARG 83 1HD ARG 83 16.016 -8.799 5.458 595 HD3 ARG 83 2HD ARG 83 16.300 -10.551 5.368 596 HE ARG 83 HE ARG 83 17.738 -9.318 3.285 597 HH11 ARG 83 1HH1 ARG 83 17.910 -9.280 6.857 598 HH12 ARG 83 2HH1 ARG 83 19.576 -8.787 6.870 599 HH21 ARG 83 1HH2 ARG 83 20.009 -9.360 3.404 600 HH22 ARG 83 2HH2 ARG 83 20.847 -9.028 4.890 601 H ARG 84 H ARG 84 15.009 -13.123 0.577 602 HA ARG 84 HA ARG 84 17.382 -13.119 -1.079 603 HB2 ARG 84 1HB ARG 84 15.271 -15.175 -0.317 604 HB3 ARG 84 2HB ARG 84 16.623 -15.571 -1.380 605 HG2 ARG 84 1HG ARG 84 18.262 -15.091 0.269 606 HG3 ARG 84 2HG ARG 84 17.086 -14.352 1.371 607 HD2 ARG 84 1HD ARG 84 15.963 -16.465 1.712 608 HD3 ARG 84 2HD ARG 84 16.937 -17.227 0.445 609 HE ARG 84 HE ARG 84 17.924 -16.165 3.048 610 HH11 ARG 84 1HH1 ARG 84 17.727 -18.875 0.856 611 HH12 ARG 84 2HH1 ARG 84 19.170 -19.679 1.379 612 HH21 ARG 84 1HH2 ARG 84 20.033 -17.071 3.660 613 HH22 ARG 84 2HH2 ARG 84 20.379 -18.718 3.185 614 H ASP 85 H ASP 85 14.545 -11.742 -2.023 615 HA ASP 85 HA ASP 85 14.112 -13.005 -4.598 616 HB2 ASP 85 1HB ASP 85 12.519 -11.385 -3.390 617 HB3 ASP 85 2HB ASP 85 13.694 -10.106 -3.801 618 H TYR 86 H TYR 86 14.425 -11.622 -6.580 619 HA TYR 86 HA TYR 86 17.202 -10.742 -6.956 620 HB2 TYR 86 1HB TYR 86 15.808 -12.069 -8.573 621 HB3 TYR 86 2HB TYR 86 14.763 -10.670 -8.789 622 HD1 TYR 86 2HD TYR 86 18.240 -11.902 -9.196 623 HD2 TYR 86 1HD TYR 86 15.439 -8.774 -10.175 624 HE1 TYR 86 2HE TYR 86 19.873 -10.961 -10.776 625 HE2 TYR 86 1HE TYR 86 17.073 -7.826 -11.776 626 HH TYR 86 HH TYR 86 20.052 -9.470 -12.666 627 H PHE 87 H PHE 87 13.901 -9.216 -7.166 628 HA PHE 87 HA PHE 87 15.102 -6.586 -7.608 629 HB2 PHE 87 1HB PHE 87 13.112 -7.346 -8.838 630 HB3 PHE 87 2HB PHE 87 12.236 -7.566 -7.331 631 HD1 PHE 87 1HD PHE 87 13.722 -5.022 -9.612 632 HD2 PHE 87 2HD PHE 87 11.108 -5.746 -6.251 633 HE1 PHE 87 1HE PHE 87 12.744 -2.751 -9.871 634 HE2 PHE 87 2HE PHE 87 10.198 -3.453 -6.474 635 HZ PHE 87 HZ PHE 87 10.983 -1.975 -8.319 636 H TRP 88 H TRP 88 12.870 -8.052 -5.175 637 HA TRP 88 HA TRP 88 12.587 -5.784 -3.614 638 HB2 TRP 88 1HB TRP 88 12.341 -8.711 -2.830 639 HB3 TRP 88 2HB TRP 88 11.890 -7.380 -1.780 640 HD1 TRP 88 HD TRP 88 10.490 -9.411 -4.597 641 HE1 TRP 88 1HE TRP 88 8.200 -8.595 -5.230 642 HE3 TRP 88 3HE TRP 88 10.578 -5.028 -2.011 643 HZ2 TRP 88 2HZ TRP 88 6.620 -6.105 -4.842 644 HZ3 TRP 88 3HZ TRP 88 8.664 -3.486 -2.094 645 HH2 TRP 88 HH TRP 88 6.657 -4.036 -3.503 646 H GLN 89 H GLN 89 15.376 -7.777 -3.620 647 HA GLN 89 HA GLN 89 16.759 -7.177 -1.283 648 HB2 GLN 89 1HB GLN 89 17.501 -7.280 -4.231 649 HB3 GLN 89 2HB GLN 89 18.715 -6.817 -3.035 650 HG2 GLN 89 1HG GLN 89 18.357 -8.860 -1.805 651 HG3 GLN 89 2HG GLN 89 17.108 -9.391 -2.926 652 HE21 GLN 89 1HE2 GLN 89 18.196 -8.939 -5.455 653 HE22 GLN 89 2HE2 GLN 89 19.695 -9.799 -5.644 654 H THR 90 H THR 90 16.314 -4.974 -4.069 655 HA THR 90 HA THR 90 17.999 -2.978 -2.890 656 HB THR 90 HB THR 90 17.409 -3.278 -5.314 657 HG1 THR 90 1HG THR 90 17.535 -1.026 -5.702 658 HG21 THR 90 3HG2 THR 90 14.997 -1.554 -4.754 659 HG22 THR 90 1HG2 THR 90 14.913 -3.326 -4.874 660 HG23 THR 90 2HG2 THR 90 15.481 -2.382 -6.256 661 H TYR 91 H TYR 91 14.545 -3.672 -2.459 662 HA TYR 91 HA TYR 91 14.123 -1.219 -0.919 663 HB2 TYR 91 1HB TYR 91 12.338 -3.526 -1.716 664 HB3 TYR 91 2HB TYR 91 11.824 -2.270 -0.591 665 HD1 TYR 91 1HD TYR 91 11.692 0.120 -1.257 666 HD2 TYR 91 2HD TYR 91 12.530 -2.991 -4.137 667 HE1 TYR 91 1HE TYR 91 11.332 1.730 -3.085 668 HE2 TYR 91 2HE TYR 91 12.126 -1.378 -5.959 669 HH TYR 91 HH TYR 91 10.999 1.927 -5.519 670 H ALA 92 H ALA 92 15.940 -3.794 -0.101 671 HA ALA 92 HA ALA 92 14.670 -4.717 2.318 672 HB1 ALA 92 1HB ALA 92 17.545 -5.037 1.418 673 HB2 ALA 92 2HB ALA 92 16.697 -5.989 2.648 674 HB3 ALA 92 3HB ALA 92 16.207 -6.123 0.948 675 H ALA 93 H ALA 93 15.825 -1.696 1.739 676 HA ALA 93 HA ALA 93 17.152 -1.339 4.308 677 HB1 ALA 93 1HB ALA 93 16.110 0.714 2.312 678 HB2 ALA 93 2HB ALA 93 17.089 1.059 3.750 679 HB3 ALA 93 3HB ALA 93 17.776 0.106 2.424 680 H TRP 94 H TRP 94 13.887 -1.842 3.344 681 HA TRP 94 HA TRP 94 12.835 -0.374 5.713 682 HB2 TRP 94 1HB TRP 94 11.694 -0.357 2.920 683 HB3 TRP 94 2HB TRP 94 10.995 0.449 4.284 684 HD1 TRP 94 HD TRP 94 12.319 2.644 5.200 685 HE1 TRP 94 1HE TRP 94 13.596 4.428 3.861 686 HE3 TRP 94 3HE TRP 94 13.255 -0.065 0.979 687 HZ2 TRP 94 2HZ TRP 94 15.043 4.577 1.362 688 HZ3 TRP 94 3HZ TRP 94 14.606 0.944 -0.891 689 HH2 TRP 94 HH TRP 94 15.501 3.230 -0.670 690 H ILE 95 H ILE 95 13.258 -3.398 5.072 691 HA ILE 95 HA ILE 95 10.425 -4.307 4.929 692 HB ILE 95 HB ILE 95 13.008 -5.892 4.605 693 HG12 ILE 95 1HG1 ILE 95 10.853 -5.199 2.545 694 HG13 ILE 95 2HG1 ILE 95 12.419 -4.416 2.678 695 HG21 ILE 95 1HG2 ILE 95 11.526 -7.806 4.014 696 HG22 ILE 95 2HG2 ILE 95 11.218 -7.267 5.650 697 HG23 ILE 95 3HG2 ILE 95 10.094 -6.807 4.353 698 HD11 ILE 95 3HD1 ILE 95 11.910 -7.270 1.833 699 HD12 ILE 95 1HD1 ILE 95 12.639 -5.942 0.913 700 HD13 ILE 95 2HD1 ILE 95 13.523 -6.656 2.279 701 H GLN 96 H GLN 96 9.539 -5.203 6.799 702 HA GLN 96 HA GLN 96 11.392 -6.262 8.838 703 HB2 GLN 96 1HB GLN 96 9.710 -5.328 10.608 704 HB3 GLN 96 2HB GLN 96 10.990 -4.292 9.984 705 HG2 GLN 96 1HG GLN 96 9.476 -3.025 8.691 706 HG3 GLN 96 2HG GLN 96 8.229 -4.268 8.732 707 HE21 GLN 96 1HE2 GLN 96 10.114 -2.831 11.515 708 HE22 GLN 96 2HE2 GLN 96 8.679 -2.179 12.281 709 HA PRO 97 HA PRO 97 8.224 -9.438 9.026 710 HB2 PRO 97 1HB PRO 97 8.226 -10.144 11.669 711 HB3 PRO 97 2HB PRO 97 9.503 -10.623 10.533 712 HG2 PRO 97 1HG PRO 97 9.461 -8.275 12.434 713 HG3 PRO 97 2HG PRO 97 10.778 -9.472 12.227 714 HD2 PRO 97 1HD PRO 97 10.836 -7.049 11.051 715 HD3 PRO 97 2HD PRO 97 11.432 -8.471 10.170 716 H MET 98 H MET 98 6.054 -9.760 9.998 717 HA MET 98 HA MET 98 4.742 -7.177 10.446 718 HB2 MET 98 1HB MET 98 2.965 -8.077 9.452 719 HB3 MET 98 2HB MET 98 4.152 -9.214 8.845 720 HG2 MET 98 1HG MET 98 3.383 -10.970 10.033 721 HG3 MET 98 2HG MET 98 2.609 -9.971 11.278 722 HE1 MET 98 3HE MET 98 0.871 -10.360 6.964 723 HE2 MET 98 1HE MET 98 2.329 -9.405 7.304 724 HE3 MET 98 2HE MET 98 2.361 -11.169 7.475 725 H GLU 99 H GLU 99 2.929 -7.009 12.210 726 HA GLU 99 HA GLU 99 3.194 -8.787 14.509 727 HB2 GLU 99 1HB GLU 99 4.116 -5.884 14.454 728 HB3 GLU 99 2HB GLU 99 3.355 -6.539 15.864 729 HG2 GLU 99 1HG GLU 99 5.178 -8.489 15.576 730 HG3 GLU 99 2HG GLU 99 6.048 -7.216 14.726 731 H GLN 100 H GLN 100 1.679 -7.814 16.283 732 HA GLN 100 HA GLN 100 -0.835 -6.732 15.134 733 HB2 GLN 100 1HB GLN 100 -1.780 -6.901 17.372 734 HB3 GLN 100 2HB GLN 100 -1.278 -8.479 16.806 735 HG2 GLN 100 1HG GLN 100 0.641 -8.488 18.286 736 HG3 GLN 100 2HG GLN 100 0.343 -6.809 18.755 737 HE21 GLN 100 1HE2 GLN 100 -1.508 -9.944 18.635 738 HE22 GLN 100 2HE2 GLN 100 -2.357 -9.619 20.143 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -20.240 12.223 -2.701 2 HA2 GLY 1 1HA GLY 1 -20.897 12.771 -0.462 3 HA3 GLY 1 2HA GLY 1 -22.446 13.359 -1.091 4 H SER 2 H SER 2 -20.581 10.503 -0.206 5 HA SER 2 HA SER 2 -23.049 9.214 0.420 6 HB2 SER 2 1HB SER 2 -21.730 8.327 -1.970 7 HB3 SER 2 2HB SER 2 -21.382 7.120 -0.723 8 HG SER 2 HG SER 2 -23.484 6.744 -0.441 9 H HIS 3 H HIS 3 -22.371 7.166 1.826 10 HA HIS 3 HA HIS 3 -20.251 8.212 3.635 11 HB2 HIS 3 1HB HIS 3 -21.599 7.251 5.442 12 HB3 HIS 3 2HB HIS 3 -22.514 8.429 4.513 13 HD1 HIS 3 1HD HIS 3 -22.147 4.545 4.588 14 HD2 HIS 3 2HD HIS 3 -24.868 7.650 3.695 15 HE1 HIS 3 1HE HIS 3 -24.323 3.418 3.928 16 H GLU 4 H GLU 4 -19.340 6.610 1.491 17 HA GLU 4 HA GLU 4 -18.310 4.369 2.996 18 HB2 GLU 4 1HB GLU 4 -20.733 3.977 1.720 19 HB3 GLU 4 2HB GLU 4 -19.656 3.587 0.402 20 HG2 GLU 4 1HG GLU 4 -18.927 2.296 2.992 21 HG3 GLU 4 2HG GLU 4 -20.567 1.925 2.453 22 H GLY 5 H GLY 5 -16.671 3.123 1.572 23 HA2 GLY 5 1HA GLY 5 -15.204 3.010 -0.214 24 HA3 GLY 5 2HA GLY 5 -15.664 4.604 -0.782 25 H GLU 6 H GLU 6 -13.728 2.861 1.628 26 HA GLU 6 HA GLU 6 -12.282 5.296 2.479 27 HB2 GLU 6 1HB GLU 6 -10.978 3.714 3.907 28 HB3 GLU 6 2HB GLU 6 -12.663 3.743 4.250 29 HG2 GLU 6 1HG GLU 6 -11.294 1.676 2.459 30 HG3 GLU 6 2HG GLU 6 -11.370 1.491 4.205 31 HA PRO 7 HA PRO 7 -8.748 4.285 -0.256 32 HB2 PRO 7 1HB PRO 7 -6.632 4.813 1.402 33 HB3 PRO 7 2HB PRO 7 -7.563 6.141 0.662 34 HG2 PRO 7 1HG PRO 7 -7.890 4.983 3.433 35 HG3 PRO 7 2HG PRO 7 -7.843 6.683 2.967 36 HD2 PRO 7 1HD PRO 7 -10.138 5.435 3.438 37 HD3 PRO 7 2HD PRO 7 -10.098 6.591 2.136 38 H VAL 8 H VAL 8 -8.873 2.035 -0.553 39 HA VAL 8 HA VAL 8 -7.296 0.372 1.247 40 HB VAL 8 HB VAL 8 -9.541 0.286 2.262 41 HG11 VAL 8 1HG1 VAL 8 -10.542 -0.945 -0.340 42 HG12 VAL 8 2HG1 VAL 8 -11.473 -0.669 1.144 43 HG13 VAL 8 3HG1 VAL 8 -10.887 0.703 0.199 44 HG21 VAL 8 3HG2 VAL 8 -8.140 -1.754 2.388 45 HG22 VAL 8 1HG2 VAL 8 -9.867 -2.067 2.469 46 HG23 VAL 8 2HG2 VAL 8 -9.006 -2.410 0.981 47 H VAL 9 H VAL 9 -6.858 -1.736 0.286 48 HA VAL 9 HA VAL 9 -6.915 -1.819 -2.614 49 HB VAL 9 HB VAL 9 -6.140 -3.934 -0.563 50 HG11 VAL 9 1HG1 VAL 9 -6.622 -4.556 -3.081 51 HG12 VAL 9 2HG1 VAL 9 -5.010 -3.852 -3.386 52 HG13 VAL 9 3HG1 VAL 9 -5.213 -5.206 -2.255 53 HG21 VAL 9 3HG2 VAL 9 -4.661 -1.809 -0.528 54 HG22 VAL 9 1HG2 VAL 9 -3.936 -3.391 -0.651 55 HG23 VAL 9 2HG2 VAL 9 -4.049 -2.375 -2.086 56 H GLY 10 H GLY 10 -9.297 -1.393 -2.800 57 HA2 GLY 10 1HA GLY 10 -10.924 -3.835 -2.560 58 HA3 GLY 10 2HA GLY 10 -11.345 -2.281 -3.373 59 H MET 11 H MET 11 -11.834 -3.991 -5.324 60 HA MET 11 HA MET 11 -9.707 -5.206 -6.620 61 HB2 MET 11 1HB MET 11 -12.316 -4.007 -7.603 62 HB3 MET 11 2HB MET 11 -11.146 -4.592 -8.786 63 HG2 MET 11 1HG MET 11 -11.697 -6.446 -6.498 64 HG3 MET 11 2HG MET 11 -13.043 -6.128 -7.584 65 HE1 MET 11 3HE MET 11 -9.145 -6.324 -8.670 66 HE2 MET 11 1HE MET 11 -9.354 -7.485 -7.328 67 HE3 MET 11 2HE MET 11 -9.055 -8.068 -8.983 68 H ASP 12 H ASP 12 -10.622 -1.656 -7.137 69 HA ASP 12 HA ASP 12 -8.784 -1.786 -9.457 70 HB2 ASP 12 1HB ASP 12 -11.050 -0.644 -9.613 71 HB3 ASP 12 2HB ASP 12 -10.383 0.620 -8.588 72 H LYS 13 H LYS 13 -6.639 -1.281 -9.196 73 HA LYS 13 HA LYS 13 -5.734 0.196 -6.787 74 HB2 LYS 13 1HB LYS 13 -4.136 -1.053 -9.048 75 HB3 LYS 13 2HB LYS 13 -3.486 -0.297 -7.613 76 HG2 LYS 13 1HG LYS 13 -5.110 -2.896 -7.684 77 HG3 LYS 13 2HG LYS 13 -3.407 -2.685 -7.452 78 HD2 LYS 13 1HD LYS 13 -3.968 -2.908 -5.297 79 HD3 LYS 13 2HD LYS 13 -4.342 -1.195 -5.356 80 HE2 LYS 13 1HE LYS 13 -6.467 -3.123 -6.361 81 HE3 LYS 13 2HE LYS 13 -6.145 -3.269 -4.679 82 HZ1 LYS 13 3HZ LYS 13 -7.112 -0.866 -6.072 83 HZ2 LYS 13 1HZ LYS 13 -6.690 -0.862 -4.455 84 HZ3 LYS 13 2HZ LYS 13 -7.895 -1.816 -5.030 85 H SER 14 H SER 14 -6.773 2.201 -7.262 86 HA SER 14 HA SER 14 -4.991 3.897 -8.922 87 HB2 SER 14 1HB SER 14 -6.824 3.026 -10.382 88 HB3 SER 14 2HB SER 14 -8.013 3.729 -9.268 89 HG SER 14 HG SER 14 -6.585 5.727 -9.762 90 H LEU 15 H LEU 15 -6.559 3.526 -5.965 91 HA LEU 15 HA LEU 15 -7.651 6.291 -5.875 92 HB2 LEU 15 1HB LEU 15 -8.696 3.804 -4.500 93 HB3 LEU 15 2HB LEU 15 -9.502 5.360 -4.682 94 HG LEU 15 HG LEU 15 -8.932 3.370 -6.911 95 HD11 LEU 15 1HD1 LEU 15 -11.537 4.222 -5.593 96 HD12 LEU 15 2HD1 LEU 15 -10.681 2.704 -5.275 97 HD13 LEU 15 3HD1 LEU 15 -11.334 3.035 -6.896 98 HD21 LEU 15 3HD2 LEU 15 -10.504 5.983 -7.024 99 HD22 LEU 15 1HD2 LEU 15 -10.347 4.777 -8.320 100 HD23 LEU 15 2HD2 LEU 15 -8.935 5.705 -7.804 101 H PHE 16 H PHE 16 -4.964 5.509 -4.821 102 HA PHE 16 HA PHE 16 -5.360 5.328 -1.874 103 HB2 PHE 16 1HB PHE 16 -3.017 4.678 -3.675 104 HB3 PHE 16 2HB PHE 16 -2.952 4.703 -1.930 105 HD1 PHE 16 2HD PHE 16 -5.016 3.179 -4.682 106 HD2 PHE 16 1HD PHE 16 -3.156 2.696 -0.848 107 HE1 PHE 16 2HE PHE 16 -5.772 0.864 -4.652 108 HE2 PHE 16 1HE PHE 16 -3.845 0.298 -0.840 109 HZ PHE 16 HZ PHE 16 -5.158 -0.617 -2.737 110 H ALA 17 H ALA 17 -3.613 7.270 -4.354 111 HA ALA 17 HA ALA 17 -2.490 9.145 -2.498 112 HB1 ALA 17 1HB ALA 17 -2.096 10.383 -4.716 113 HB2 ALA 17 2HB ALA 17 -1.438 8.747 -4.659 114 HB3 ALA 17 3HB ALA 17 -2.963 9.066 -5.514 115 H GLY 18 H GLY 18 -5.338 8.789 -2.048 116 HA2 GLY 18 1HA GLY 18 -6.391 11.504 -2.740 117 HA3 GLY 18 2HA GLY 18 -7.380 10.046 -2.647 118 H ASN 19 H ASN 19 -5.943 9.088 -0.022 119 HA ASN 19 HA ASN 19 -6.910 11.360 1.696 120 HB2 ASN 19 1HB ASN 19 -8.314 9.273 1.612 121 HB3 ASN 19 2HB ASN 19 -6.917 8.420 2.315 122 HD21 ASN 19 1HD2 ASN 19 -7.708 8.033 4.445 123 HD22 ASN 19 2HD2 ASN 19 -8.436 9.301 5.405 124 H THR 20 H THR 20 -5.401 12.364 2.849 125 HA THR 20 HA THR 20 -2.711 11.473 3.024 126 HB THR 20 HB THR 20 -2.624 13.713 4.293 127 HG1 THR 20 1HG THR 20 -4.491 14.185 5.070 128 HG21 THR 20 3HG2 THR 20 -3.126 15.093 2.341 129 HG22 THR 20 1HG2 THR 20 -4.004 13.757 1.568 130 HG23 THR 20 2HG2 THR 20 -2.256 13.639 1.863 131 H VAL 21 H VAL 21 -4.776 9.786 4.657 132 HA VAL 21 HA VAL 21 -3.736 10.336 7.410 133 HB VAL 21 HB VAL 21 -6.697 9.949 6.988 134 HG11 VAL 21 1HG1 VAL 21 -5.657 9.969 9.303 135 HG12 VAL 21 2HG1 VAL 21 -5.134 11.636 8.978 136 HG13 VAL 21 3HG1 VAL 21 -6.862 11.236 9.049 137 HG21 VAL 21 3HG2 VAL 21 -5.315 12.636 6.739 138 HG22 VAL 21 1HG2 VAL 21 -6.298 11.849 5.487 139 HG23 VAL 21 2HG2 VAL 21 -7.064 12.402 6.969 140 H ILE 22 H ILE 22 -3.766 8.008 5.233 141 HA ILE 22 HA ILE 22 -4.902 5.847 6.927 142 HB ILE 22 HB ILE 22 -5.823 5.758 4.824 143 HG12 ILE 22 1HG1 ILE 22 -3.599 3.712 5.119 144 HG13 ILE 22 2HG1 ILE 22 -5.248 3.631 5.741 145 HG21 ILE 22 1HG2 ILE 22 -4.809 5.826 2.722 146 HG22 ILE 22 2HG2 ILE 22 -4.122 7.190 3.568 147 HG23 ILE 22 3HG2 ILE 22 -3.153 5.717 3.392 148 HD11 ILE 22 3HD1 ILE 22 -6.022 3.702 3.331 149 HD12 ILE 22 1HD1 ILE 22 -4.325 3.492 2.848 150 HD13 ILE 22 2HD1 ILE 22 -5.127 2.230 3.803 151 H ARG 23 H ARG 23 -3.434 5.675 8.462 152 HA ARG 23 HA ARG 23 -0.553 5.667 7.906 153 HB2 ARG 23 1HB ARG 23 -2.239 5.421 10.410 154 HB3 ARG 23 2HB ARG 23 -0.523 4.989 10.437 155 HG2 ARG 23 1HG ARG 23 0.071 7.192 9.488 156 HG3 ARG 23 2HG ARG 23 -1.637 7.670 9.493 157 HD2 ARG 23 1HD ARG 23 -1.681 7.627 11.915 158 HD3 ARG 23 2HD ARG 23 -0.043 6.930 11.980 159 HE ARG 23 HE ARG 23 0.502 9.112 10.580 160 HH11 ARG 23 1HH1 ARG 23 -1.027 8.733 13.716 161 HH12 ARG 23 2HH1 ARG 23 -0.486 10.304 14.230 162 HH21 ARG 23 1HH2 ARG 23 0.926 11.155 11.182 163 HH22 ARG 23 2HH2 ARG 23 0.381 11.863 12.675 164 H GLU 24 H GLU 24 -2.928 3.218 7.563 165 HA GLU 24 HA GLU 24 -0.746 1.256 7.562 166 HB2 GLU 24 1HB GLU 24 -2.890 1.408 9.571 167 HB3 GLU 24 2HB GLU 24 -3.069 -0.063 8.618 168 HG2 GLU 24 1HG GLU 24 -0.678 -0.584 9.031 169 HG3 GLU 24 2HG GLU 24 -0.577 0.870 10.051 170 H ILE 25 H ILE 25 -0.896 -0.109 5.926 171 HA ILE 25 HA ILE 25 -3.453 -0.360 4.405 172 HB ILE 25 HB ILE 25 -0.774 -0.112 3.039 173 HG12 ILE 25 1HG1 ILE 25 -2.554 2.168 3.851 174 HG13 ILE 25 2HG1 ILE 25 -0.873 1.924 4.098 175 HG21 ILE 25 1HG2 ILE 25 -2.718 -1.204 1.855 176 HG22 ILE 25 2HG2 ILE 25 -3.609 0.322 2.013 177 HG23 ILE 25 3HG2 ILE 25 -2.115 0.244 1.045 178 HD11 ILE 25 3HD1 ILE 25 -0.467 2.180 1.643 179 HD12 ILE 25 1HD1 ILE 25 -2.200 2.547 1.442 180 HD13 ILE 25 2HD1 ILE 25 -1.189 3.609 2.424 181 H THR 26 H THR 26 -3.824 -2.421 5.296 182 HA THR 26 HA THR 26 -1.956 -4.641 4.890 183 HB THR 26 HB THR 26 -4.958 -4.448 5.403 184 HG1 THR 26 1HG THR 26 -3.842 -3.851 7.245 185 HG21 THR 26 3HG2 THR 26 -3.329 -6.938 5.908 186 HG22 THR 26 1HG2 THR 26 -4.102 -6.708 4.330 187 HG23 THR 26 2HG2 THR 26 -5.077 -6.754 5.825 188 H VAL 27 H VAL 27 -1.784 -5.943 3.026 189 HA VAL 27 HA VAL 27 -3.698 -5.510 0.799 190 HB VAL 27 HB VAL 27 -0.739 -5.877 0.285 191 HG11 VAL 27 1HG1 VAL 27 -1.758 -4.450 -1.834 192 HG12 VAL 27 2HG1 VAL 27 -1.607 -6.189 -1.772 193 HG13 VAL 27 3HG1 VAL 27 -3.150 -5.419 -1.383 194 HG21 VAL 27 3HG2 VAL 27 -0.736 -3.797 1.488 195 HG22 VAL 27 1HG2 VAL 27 -0.517 -3.476 -0.230 196 HG23 VAL 27 2HG2 VAL 27 -2.110 -3.185 0.535 197 H GLN 28 H GLN 28 -3.461 -7.380 -0.911 198 HA GLN 28 HA GLN 28 -2.614 -9.956 0.350 199 HB2 GLN 28 1HB GLN 28 -4.913 -9.203 -1.519 200 HB3 GLN 28 2HB GLN 28 -4.364 -10.861 -1.362 201 HG2 GLN 28 1HG GLN 28 -5.343 -11.188 0.640 202 HG3 GLN 28 2HG GLN 28 -4.865 -9.602 1.247 203 HE21 GLN 28 1HE2 GLN 28 -6.480 -8.395 1.753 204 HE22 GLN 28 2HE2 GLN 28 -7.768 -8.000 0.703 205 HA PRO 29 HA PRO 29 0.053 -10.388 -3.160 206 HB2 PRO 29 1HB PRO 29 -0.173 -13.071 -3.812 207 HB3 PRO 29 2HB PRO 29 0.767 -12.443 -2.426 208 HG2 PRO 29 1HG PRO 29 -2.030 -13.591 -2.439 209 HG3 PRO 29 2HG PRO 29 -0.711 -13.883 -1.256 210 HD2 PRO 29 1HD PRO 29 -2.711 -12.163 -0.725 211 HD3 PRO 29 2HD PRO 29 -1.030 -11.814 -0.226 212 H ASN 30 H ASN 30 0.060 -10.598 -5.408 213 HA ASN 30 HA ASN 30 -0.809 -10.036 -7.446 214 HB2 ASN 30 1HB ASN 30 -2.308 -12.610 -6.897 215 HB3 ASN 30 2HB ASN 30 -2.002 -11.893 -8.482 216 HD21 ASN 30 1HD2 ASN 30 -0.895 -14.322 -6.537 217 HD22 ASN 30 2HD2 ASN 30 0.744 -14.394 -7.103 218 H ILE 31 H ILE 31 -1.981 -8.118 -6.347 219 HA ILE 31 HA ILE 31 -4.827 -8.216 -7.090 220 HB ILE 31 HB ILE 31 -4.596 -8.987 -4.758 221 HG12 ILE 31 1HG1 ILE 31 -6.722 -8.404 -5.559 222 HG13 ILE 31 2HG1 ILE 31 -6.529 -7.858 -3.894 223 HG21 ILE 31 1HG2 ILE 31 -4.035 -6.119 -4.031 224 HG22 ILE 31 2HG2 ILE 31 -4.137 -7.541 -2.963 225 HG23 ILE 31 3HG2 ILE 31 -2.819 -7.376 -4.147 226 HD11 ILE 31 3HD1 ILE 31 -6.708 -6.189 -6.412 227 HD12 ILE 31 1HD1 ILE 31 -7.732 -6.158 -4.963 228 HD13 ILE 31 2HD1 ILE 31 -6.070 -5.547 -4.884 229 H GLY 32 H GLY 32 -3.155 -7.219 -8.682 230 HA2 GLY 32 1HA GLY 32 -3.162 -5.460 -10.072 231 HA3 GLY 32 2HA GLY 32 -3.957 -4.446 -8.862 232 H LEU 33 H LEU 33 -2.224 -3.168 -10.204 233 HA LEU 33 HA LEU 33 0.534 -3.774 -9.373 234 HB2 LEU 33 1HB LEU 33 -0.080 -3.913 -11.784 235 HB3 LEU 33 2HB LEU 33 -0.663 -2.252 -11.727 236 HG LEU 33 HG LEU 33 1.649 -1.436 -11.293 237 HD11 LEU 33 1HD1 LEU 33 3.551 -2.962 -11.694 238 HD12 LEU 33 2HD1 LEU 33 2.433 -4.339 -11.775 239 HD13 LEU 33 3HD1 LEU 33 2.654 -3.443 -10.252 240 HD21 LEU 33 3HD2 LEU 33 1.345 -3.183 -13.765 241 HD22 LEU 33 1HD2 LEU 33 2.461 -1.802 -13.574 242 HD23 LEU 33 2HD2 LEU 33 0.704 -1.552 -13.556 243 H LEU 34 H LEU 34 1.830 -2.633 -8.410 244 HA LEU 34 HA LEU 34 1.090 -0.103 -7.266 245 HB2 LEU 34 1HB LEU 34 3.436 -2.026 -6.913 246 HB3 LEU 34 2HB LEU 34 3.316 -0.455 -6.126 247 HG LEU 34 HG LEU 34 0.903 -1.391 -5.561 248 HD11 LEU 34 1HD1 LEU 34 0.764 -3.693 -5.004 249 HD12 LEU 34 2HD1 LEU 34 2.403 -4.003 -5.551 250 HD13 LEU 34 3HD1 LEU 34 1.119 -3.555 -6.715 251 HD21 LEU 34 3HD2 LEU 34 2.674 -0.730 -3.933 252 HD22 LEU 34 1HD2 LEU 34 3.465 -2.318 -4.183 253 HD23 LEU 34 2HD2 LEU 34 1.858 -2.217 -3.418 254 H TYR 35 H TYR 35 0.963 0.812 -9.560 255 HA TYR 35 HA TYR 35 3.411 1.296 -11.010 256 HB2 TYR 35 1HB TYR 35 2.147 2.859 -12.342 257 HB3 TYR 35 2HB TYR 35 1.250 1.372 -12.136 258 HD1 TYR 35 1HD TYR 35 1.377 4.989 -11.308 259 HD2 TYR 35 2HD TYR 35 -0.880 1.326 -10.925 260 HE1 TYR 35 1HE TYR 35 -0.576 6.286 -10.518 261 HE2 TYR 35 2HE TYR 35 -2.843 2.630 -10.192 262 HH TYR 35 HH TYR 35 -2.787 6.158 -9.619 263 H ASP 36 H ASP 36 4.240 3.546 -11.416 264 HA ASP 36 HA ASP 36 4.947 4.746 -8.866 265 HB2 ASP 36 1HB ASP 36 6.524 6.061 -10.220 266 HB3 ASP 36 2HB ASP 36 6.733 4.323 -10.358 267 H GLY 37 H GLY 37 3.645 6.096 -7.957 268 HA2 GLY 37 1HA GLY 37 2.952 8.458 -8.093 269 HA3 GLY 37 2HA GLY 37 2.077 8.051 -9.562 270 H MET 38 H MET 38 1.486 5.325 -8.071 271 HA MET 38 HA MET 38 -1.159 5.679 -7.491 272 HB2 MET 38 1HB MET 38 0.656 3.608 -7.496 273 HB3 MET 38 2HB MET 38 0.231 3.637 -5.797 274 HG2 MET 38 1HG MET 38 -2.003 3.717 -7.766 275 HG3 MET 38 2HG MET 38 -0.979 2.294 -7.778 276 HE1 MET 38 3HE MET 38 -1.588 0.153 -6.464 277 HE2 MET 38 1HE MET 38 -0.480 0.916 -5.325 278 HE3 MET 38 2HE MET 38 -2.020 0.231 -4.740 279 H PHE 39 H PHE 39 1.508 6.099 -5.300 280 HA PHE 39 HA PHE 39 -0.307 6.908 -3.060 281 HB2 PHE 39 1HB PHE 39 2.604 6.129 -2.806 282 HB3 PHE 39 2HB PHE 39 1.405 6.240 -1.530 283 HD1 PHE 39 2HD PHE 39 -0.862 4.693 -2.737 284 HD2 PHE 39 1HD PHE 39 3.342 3.926 -2.626 285 HE1 PHE 39 2HE PHE 39 -1.321 2.290 -3.045 286 HE2 PHE 39 1HE PHE 39 2.932 1.522 -3.009 287 HZ PHE 39 HZ PHE 39 0.596 0.691 -3.289 288 H SER 40 H SER 40 1.167 8.614 -5.386 289 HA SER 40 HA SER 40 2.910 10.357 -3.939 290 HB2 SER 40 1HB SER 40 3.038 10.117 -6.367 291 HB3 SER 40 2HB SER 40 1.379 10.703 -6.543 292 HG SER 40 HG SER 40 3.492 12.287 -5.439 293 H GLY 41 H GLY 41 2.128 11.293 -2.111 294 HA2 GLY 41 1HA GLY 41 0.856 13.356 -1.430 295 HA3 GLY 41 2HA GLY 41 -0.546 12.625 -2.207 296 H CYS 42 H CYS 42 0.972 9.964 -0.820 297 HA CYS 42 HA CYS 42 -0.850 10.025 1.481 298 HB2 CYS 42 1HB CYS 42 1.249 7.960 0.789 299 HB3 CYS 42 2HB CYS 42 -0.085 7.828 1.954 300 HG CYS 42 HG CYS 42 -1.993 8.371 0.140 301 H THR 43 H THR 43 0.063 12.046 2.404 302 HA THR 43 HA THR 43 2.739 12.286 3.206 303 HB THR 43 HB THR 43 1.912 14.246 4.463 304 HG1 THR 43 1HG THR 43 0.017 13.719 5.269 305 HG21 THR 43 3HG2 THR 43 1.100 15.531 2.641 306 HG22 THR 43 1HG2 THR 43 0.426 14.116 1.808 307 HG23 THR 43 2HG2 THR 43 2.184 14.332 1.932 308 H ALA 44 H ALA 44 0.117 10.621 4.821 309 HA ALA 44 HA ALA 44 1.750 10.356 7.307 310 HB1 ALA 44 1HB ALA 44 -0.271 10.316 8.601 311 HB2 ALA 44 2HB ALA 44 -0.380 11.746 7.554 312 HB3 ALA 44 3HB ALA 44 -1.295 10.274 7.173 313 H LEU 45 H LEU 45 2.265 8.660 5.175 314 HA LEU 45 HA LEU 45 0.758 6.146 5.790 315 HB2 LEU 45 1HB LEU 45 1.231 7.042 3.406 316 HB3 LEU 45 2HB LEU 45 2.863 6.519 3.631 317 HG LEU 45 HG LEU 45 0.339 5.019 3.686 318 HD11 LEU 45 1HD1 LEU 45 1.367 3.747 1.679 319 HD12 LEU 45 2HD1 LEU 45 2.455 5.154 1.663 320 HD13 LEU 45 3HD1 LEU 45 0.738 5.392 1.518 321 HD21 LEU 45 3HD2 LEU 45 2.006 3.820 5.305 322 HD22 LEU 45 1HD2 LEU 45 1.862 2.815 3.837 323 HD23 LEU 45 2HD2 LEU 45 0.456 3.351 4.750 324 H GLU 46 H GLU 46 1.718 5.196 7.630 325 HA GLU 46 HA GLU 46 4.686 5.215 7.655 326 HB2 GLU 46 1HB GLU 46 4.634 4.985 10.011 327 HB3 GLU 46 2HB GLU 46 3.888 6.458 9.393 328 HG2 GLU 46 1HG GLU 46 1.650 5.493 9.748 329 HG3 GLU 46 2HG GLU 46 2.433 4.016 10.331 330 H LYS 47 H LYS 47 1.908 3.034 7.518 331 HA LYS 47 HA LYS 47 3.839 0.802 7.578 332 HB2 LYS 47 1HB LYS 47 1.720 1.622 9.487 333 HB3 LYS 47 2HB LYS 47 1.362 0.059 8.831 334 HG2 LYS 47 1HG LYS 47 4.105 0.527 9.996 335 HG3 LYS 47 2HG LYS 47 2.702 0.386 11.067 336 HD2 LYS 47 1HD LYS 47 2.110 -1.768 9.761 337 HD3 LYS 47 2HD LYS 47 3.747 -1.680 9.133 338 HE2 LYS 47 1HE LYS 47 2.863 -1.812 12.060 339 HE3 LYS 47 2HE LYS 47 3.426 -3.191 11.142 340 HZ1 LYS 47 3HZ LYS 47 5.613 -2.300 11.104 341 HZ2 LYS 47 1HZ LYS 47 5.093 -2.155 12.636 342 HZ3 LYS 47 2HZ LYS 47 5.122 -0.826 11.717 343 H LEU 48 H LEU 48 3.280 -1.042 6.485 344 HA LEU 48 HA LEU 48 0.727 -1.335 5.114 345 HB2 LEU 48 1HB LEU 48 2.064 -0.213 3.446 346 HB3 LEU 48 2HB LEU 48 3.482 -1.177 3.829 347 HG LEU 48 HG LEU 48 1.278 -2.931 2.990 348 HD11 LEU 48 1HD1 LEU 48 1.315 -2.282 0.633 349 HD12 LEU 48 2HD1 LEU 48 2.137 -0.761 1.090 350 HD13 LEU 48 3HD1 LEU 48 0.491 -1.116 1.658 351 HD21 LEU 48 3HD2 LEU 48 3.660 -3.587 3.047 352 HD22 LEU 48 1HD2 LEU 48 4.007 -2.433 1.719 353 HD23 LEU 48 2HD2 LEU 48 2.939 -3.773 1.448 354 H ILE 49 H ILE 49 0.323 -3.590 4.845 355 HA ILE 49 HA ILE 49 2.342 -5.463 5.913 356 HB ILE 49 HB ILE 49 -0.643 -5.618 6.530 357 HG12 ILE 49 1HG1 ILE 49 0.461 -5.345 9.002 358 HG13 ILE 49 2HG1 ILE 49 1.600 -4.355 8.112 359 HG21 ILE 49 1HG2 ILE 49 1.732 -7.221 7.564 360 HG22 ILE 49 2HG2 ILE 49 0.055 -7.380 8.109 361 HG23 ILE 49 3HG2 ILE 49 0.462 -7.808 6.463 362 HD11 ILE 49 3HD1 ILE 49 -0.375 -2.966 7.297 363 HD12 ILE 49 1HD1 ILE 49 -1.425 -3.998 8.290 364 HD13 ILE 49 2HD1 ILE 49 -0.187 -2.995 9.057 365 H LEU 50 H LEU 50 2.136 -7.574 4.861 366 HA LEU 50 HA LEU 50 0.303 -7.614 2.495 367 HB2 LEU 50 1HB LEU 50 3.197 -8.632 2.652 368 HB3 LEU 50 2HB LEU 50 2.171 -8.914 1.293 369 HG LEU 50 HG LEU 50 3.215 -6.207 2.181 370 HD11 LEU 50 1HD1 LEU 50 4.744 -6.325 0.309 371 HD12 LEU 50 2HD1 LEU 50 3.987 -7.833 -0.272 372 HD13 LEU 50 3HD1 LEU 50 4.930 -7.820 1.219 373 HD21 LEU 50 3HD2 LEU 50 1.348 -5.555 1.166 374 HD22 LEU 50 1HD2 LEU 50 1.519 -6.715 -0.163 375 HD23 LEU 50 2HD2 LEU 50 2.667 -5.352 0.003 376 H THR 51 H THR 51 -1.016 -9.399 2.523 377 HA THR 51 HA THR 51 -0.395 -11.619 4.358 378 HB THR 51 HB THR 51 -2.606 -12.347 4.113 379 HG1 THR 51 1HG THR 51 -2.793 -12.117 1.936 380 HG21 THR 51 3HG2 THR 51 -3.938 -10.679 4.976 381 HG22 THR 51 1HG2 THR 51 -3.302 -9.425 3.924 382 HG23 THR 51 2HG2 THR 51 -2.336 -10.029 5.327 383 H GLY 52 H GLY 52 1.443 -11.412 2.289 384 HA2 GLY 52 1HA GLY 52 0.970 -13.894 0.730 385 HA3 GLY 52 2HA GLY 52 1.493 -12.426 -0.112 386 H GLU 53 H GLU 53 2.963 -14.811 -0.031 387 HA GLU 53 HA GLU 53 4.982 -14.499 2.129 388 HB2 GLU 53 1HB GLU 53 3.644 -16.883 0.810 389 HB3 GLU 53 2HB GLU 53 5.050 -17.020 1.867 390 HG2 GLU 53 1HG GLU 53 3.866 -16.055 3.743 391 HG3 GLU 53 2HG GLU 53 2.412 -15.793 2.759 392 H ASP 54 H ASP 54 4.980 -13.838 -1.105 393 HA ASP 54 HA ASP 54 7.815 -14.595 -1.363 394 HB2 ASP 54 1HB ASP 54 6.542 -16.600 -2.137 395 HB3 ASP 54 2HB ASP 54 5.684 -15.602 -3.315 396 HA PRO 55 HA PRO 55 7.676 -10.658 -3.343 397 HB2 PRO 55 1HB PRO 55 9.970 -10.758 -4.915 398 HB3 PRO 55 2HB PRO 55 9.934 -10.468 -3.154 399 HG2 PRO 55 1HG PRO 55 10.439 -13.072 -4.600 400 HG3 PRO 55 2HG PRO 55 11.304 -12.413 -3.184 401 HD2 PRO 55 1HD PRO 55 9.471 -14.272 -2.848 402 HD3 PRO 55 2HD PRO 55 9.568 -12.913 -1.713 403 H SER 56 H SER 56 8.031 -13.524 -5.421 404 HA SER 56 HA SER 56 7.201 -12.123 -7.842 405 HB2 SER 56 1HB SER 56 7.294 -15.109 -7.288 406 HB3 SER 56 2HB SER 56 7.239 -14.318 -8.863 407 HG SER 56 HG SER 56 9.337 -15.006 -7.526 408 H ALA 57 H ALA 57 5.479 -13.048 -5.048 409 HA ALA 57 HA ALA 57 2.921 -13.460 -6.452 410 HB1 ALA 57 1HB ALA 57 3.557 -14.542 -4.179 411 HB2 ALA 57 2HB ALA 57 3.304 -12.920 -3.490 412 HB3 ALA 57 3HB ALA 57 1.973 -13.746 -4.320 413 H TYR 58 H TYR 58 4.909 -10.817 -6.160 414 HA TYR 58 HA TYR 58 2.615 -8.952 -6.085 415 HB2 TYR 58 1HB TYR 58 5.188 -8.800 -4.463 416 HB3 TYR 58 2HB TYR 58 4.298 -7.354 -4.919 417 HD1 TYR 58 1HD TYR 58 2.057 -6.811 -4.034 418 HD2 TYR 58 2HD TYR 58 4.204 -10.387 -2.819 419 HE1 TYR 58 1HE TYR 58 0.414 -7.213 -2.274 420 HE2 TYR 58 2HE TYR 58 2.601 -10.708 -0.974 421 HH TYR 58 HH TYR 58 -0.229 -8.553 -0.610 422 H SER 59 H SER 59 3.203 -6.851 -6.917 423 HA SER 59 HA SER 59 5.307 -6.799 -8.970 424 HB2 SER 59 1HB SER 59 2.368 -6.050 -9.370 425 HB3 SER 59 2HB SER 59 3.678 -5.840 -10.548 426 HG SER 59 HG SER 59 2.614 -8.317 -9.572 427 H ALA 60 H ALA 60 5.485 -4.451 -9.759 428 HA ALA 60 HA ALA 60 4.636 -2.097 -8.440 429 HB1 ALA 60 1HB ALA 60 6.898 -1.547 -7.471 430 HB2 ALA 60 2HB ALA 60 5.877 -2.640 -6.524 431 HB3 ALA 60 3HB ALA 60 7.230 -3.290 -7.435 432 H GLY 61 H GLY 61 6.467 -0.415 -9.290 433 HA2 GLY 61 1HA GLY 61 7.377 -1.189 -12.002 434 HA3 GLY 61 2HA GLY 61 6.376 0.253 -11.707 435 H ASP 62 H ASP 62 7.961 1.776 -12.210 436 HA ASP 62 HA ASP 62 10.679 1.519 -11.230 437 HB2 ASP 62 1HB ASP 62 9.215 3.233 -13.166 438 HB3 ASP 62 2HB ASP 62 10.540 4.040 -12.327 439 H GLY 63 H GLY 63 7.990 2.418 -9.543 440 HA2 GLY 63 1HA GLY 63 9.527 3.672 -7.483 441 HA3 GLY 63 2HA GLY 63 8.508 4.847 -8.361 442 H LEU 64 H LEU 64 8.416 1.722 -6.693 443 HA LEU 64 HA LEU 64 5.695 1.161 -6.332 444 HB2 LEU 64 1HB LEU 64 7.416 -0.301 -5.635 445 HB3 LEU 64 2HB LEU 64 8.001 0.811 -4.411 446 HG LEU 64 HG LEU 64 5.156 -0.289 -4.329 447 HD11 LEU 64 1HD1 LEU 64 6.312 -2.318 -4.269 448 HD12 LEU 64 2HD1 LEU 64 6.162 -1.935 -2.547 449 HD13 LEU 64 3HD1 LEU 64 7.699 -1.658 -3.433 450 HD21 LEU 64 3HD2 LEU 64 7.002 1.105 -2.392 451 HD22 LEU 64 1HD2 LEU 64 5.742 0.028 -1.771 452 HD23 LEU 64 2HD2 LEU 64 5.297 1.405 -2.770 453 H ARG 65 H ARG 65 7.665 3.666 -4.579 454 HA ARG 65 HA ARG 65 5.213 4.677 -3.280 455 HB2 ARG 65 1HB ARG 65 6.662 5.172 -1.307 456 HB3 ARG 65 2HB ARG 65 6.355 3.470 -1.580 457 HG2 ARG 65 1HG ARG 65 8.477 2.965 -1.898 458 HG3 ARG 65 2HG ARG 65 8.846 4.389 -2.897 459 HD2 ARG 65 1HD ARG 65 10.079 5.124 -1.214 460 HD3 ARG 65 2HD ARG 65 8.619 5.389 -0.276 461 HE ARG 65 HE ARG 65 10.642 3.436 0.143 462 HH11 ARG 65 1HH1 ARG 65 7.131 3.771 0.330 463 HH12 ARG 65 2HH1 ARG 65 6.929 2.534 1.549 464 HH21 ARG 65 1HH2 ARG 65 10.284 1.564 1.591 465 HH22 ARG 65 2HH2 ARG 65 8.845 1.716 2.558 466 H ASP 66 H ASP 66 6.510 5.597 -5.816 467 HA ASP 66 HA ASP 66 7.889 7.998 -5.431 468 HB2 ASP 66 1HB ASP 66 7.164 6.955 -7.639 469 HB3 ASP 66 2HB ASP 66 5.576 7.681 -7.380 470 H GLY 67 H GLY 67 7.433 9.810 -4.245 471 HA2 GLY 67 1HA GLY 67 6.277 11.518 -3.289 472 HA3 GLY 67 2HA GLY 67 4.841 10.971 -4.111 473 H ALA 68 H ALA 68 6.241 8.483 -2.120 474 HA ALA 68 HA ALA 68 4.964 9.389 0.366 475 HB1 ALA 68 1HB ALA 68 3.233 7.961 -0.662 476 HB2 ALA 68 2HB ALA 68 4.422 6.653 -0.885 477 HB3 ALA 68 3HB ALA 68 3.935 7.160 0.751 478 H ASP 69 H ASP 69 5.685 7.815 2.202 479 HA ASP 69 HA ASP 69 8.079 6.204 1.680 480 HB2 ASP 69 1HB ASP 69 8.953 8.494 1.827 481 HB3 ASP 69 2HB ASP 69 8.204 8.716 3.396 482 H PHE 70 H PHE 70 7.070 4.431 2.532 483 HA PHE 70 HA PHE 70 5.992 4.565 5.326 484 HB2 PHE 70 1HB PHE 70 3.906 3.374 4.653 485 HB3 PHE 70 2HB PHE 70 4.151 4.719 3.698 486 HD1 PHE 70 1HD PHE 70 4.703 1.003 3.720 487 HD2 PHE 70 2HD PHE 70 4.470 4.557 1.269 488 HE1 PHE 70 1HE PHE 70 4.493 -0.378 1.710 489 HE2 PHE 70 2HE PHE 70 4.147 3.134 -0.729 490 HZ PHE 70 HZ PHE 70 4.096 0.662 -0.509 491 H LEU 71 H LEU 71 5.584 2.302 6.130 492 HA LEU 71 HA LEU 71 8.076 0.681 5.615 493 HB2 LEU 71 1HB LEU 71 7.554 1.718 7.888 494 HB3 LEU 71 2HB LEU 71 6.240 0.547 8.015 495 HG LEU 71 HG LEU 71 8.089 -1.258 7.702 496 HD11 LEU 71 1HD1 LEU 71 10.343 -0.618 8.373 497 HD12 LEU 71 2HD1 LEU 71 9.837 1.081 8.595 498 HD13 LEU 71 3HD1 LEU 71 9.881 0.370 6.976 499 HD21 LEU 71 3HD2 LEU 71 6.939 -0.901 9.799 500 HD22 LEU 71 1HD2 LEU 71 7.931 0.519 10.165 501 HD23 LEU 71 2HD2 LEU 71 8.667 -1.097 10.125 502 H ILE 72 H ILE 72 7.979 -1.559 5.303 503 HA ILE 72 HA ILE 72 5.394 -2.763 4.514 504 HB ILE 72 HB ILE 72 8.203 -3.289 3.618 505 HG12 ILE 72 1HG1 ILE 72 6.305 -2.047 1.667 506 HG13 ILE 72 2HG1 ILE 72 6.834 -0.983 2.938 507 HG21 ILE 72 1HG2 ILE 72 6.935 -5.258 3.120 508 HG22 ILE 72 2HG2 ILE 72 5.630 -4.333 2.330 509 HG23 ILE 72 3HG2 ILE 72 7.238 -4.419 1.614 510 HD11 ILE 72 3HD1 ILE 72 8.372 -0.736 1.181 511 HD12 ILE 72 1HD1 ILE 72 9.197 -1.654 2.454 512 HD13 ILE 72 2HD1 ILE 72 8.606 -2.490 0.998 513 H CYS 73 H CYS 73 4.694 -4.545 5.655 514 HA CYS 73 HA CYS 73 6.558 -5.947 7.471 515 HB2 CYS 73 1HB CYS 73 3.607 -5.345 7.828 516 HB3 CYS 73 2HB CYS 73 4.633 -6.207 8.992 517 HG CYS 73 HG CYS 73 5.930 -4.411 9.851 518 H VAL 74 H VAL 74 6.947 -8.029 6.850 519 HA VAL 74 HA VAL 74 4.843 -9.468 5.268 520 HB VAL 74 HB VAL 74 6.749 -10.710 4.248 521 HG11 VAL 74 1HG1 VAL 74 6.954 -7.706 3.830 522 HG12 VAL 74 2HG1 VAL 74 7.444 -8.963 2.699 523 HG13 VAL 74 3HG1 VAL 74 5.731 -8.789 3.097 524 HG21 VAL 74 3HG2 VAL 74 8.573 -8.666 5.566 525 HG22 VAL 74 1HG2 VAL 74 8.481 -10.395 5.965 526 HG23 VAL 74 2HG2 VAL 74 9.030 -9.883 4.361 527 HA PRO 75 HA PRO 75 5.051 -12.510 8.552 528 HB2 PRO 75 1HB PRO 75 5.040 -14.949 7.238 529 HB3 PRO 75 2HB PRO 75 3.591 -13.946 7.518 530 HG2 PRO 75 1HG PRO 75 5.246 -14.188 5.018 531 HG3 PRO 75 2HG PRO 75 3.468 -14.071 5.173 532 HD2 PRO 75 1HD PRO 75 5.059 -11.946 4.499 533 HD3 PRO 75 2HD PRO 75 3.545 -11.751 5.405 534 H GLU 76 H GLU 76 6.837 -13.229 9.697 535 HA GLU 76 HA GLU 76 9.365 -12.745 8.794 536 HB2 GLU 76 1HB GLU 76 10.301 -13.992 10.592 537 HB3 GLU 76 2HB GLU 76 8.943 -13.004 11.133 538 HG2 GLU 76 1HG GLU 76 7.526 -14.811 11.393 539 HG3 GLU 76 2HG GLU 76 8.458 -15.899 10.410 540 H GLU 77 H GLU 77 7.608 -15.751 8.383 541 HA GLU 77 HA GLU 77 9.714 -17.422 7.734 542 HB2 GLU 77 1HB GLU 77 7.156 -17.761 8.287 543 HB3 GLU 77 2HB GLU 77 6.930 -17.731 6.546 544 HG2 GLU 77 1HG GLU 77 8.893 -19.577 8.008 545 HG3 GLU 77 2HG GLU 77 7.212 -20.007 7.694 546 H ALA 78 H ALA 78 7.953 -15.081 5.774 547 HA ALA 78 HA ALA 78 9.203 -15.872 3.192 548 HB1 ALA 78 1HB ALA 78 6.818 -15.248 3.313 549 HB2 ALA 78 2HB ALA 78 7.274 -13.637 3.935 550 HB3 ALA 78 3HB ALA 78 7.765 -14.133 2.303 551 H LEU 79 H LEU 79 10.186 -14.039 5.937 552 HA LEU 79 HA LEU 79 10.649 -11.537 4.790 553 HB2 LEU 79 1HB LEU 79 10.646 -11.935 7.180 554 HB3 LEU 79 2HB LEU 79 12.131 -12.885 7.069 555 HG LEU 79 HG LEU 79 13.394 -10.874 6.367 556 HD11 LEU 79 1HD1 LEU 79 10.742 -9.405 6.771 557 HD12 LEU 79 2HD1 LEU 79 11.625 -9.586 5.233 558 HD13 LEU 79 3HD1 LEU 79 12.324 -8.633 6.536 559 HD21 LEU 79 3HD2 LEU 79 13.154 -11.466 8.759 560 HD22 LEU 79 1HD2 LEU 79 11.711 -10.461 8.861 561 HD23 LEU 79 2HD2 LEU 79 13.289 -9.715 8.524 562 H ASP 80 H ASP 80 13.023 -14.198 5.106 563 HA ASP 80 HA ASP 80 15.179 -12.798 3.766 564 HB2 ASP 80 1HB ASP 80 15.322 -14.856 5.256 565 HB3 ASP 80 2HB ASP 80 14.739 -15.795 3.900 566 H ARG 81 H ARG 81 12.478 -14.730 2.754 567 HA ARG 81 HA ARG 81 13.133 -15.427 0.127 568 HB2 ARG 81 1HB ARG 81 11.223 -16.087 1.831 569 HB3 ARG 81 2HB ARG 81 10.305 -14.823 1.002 570 HG2 ARG 81 1HG ARG 81 10.296 -15.900 -1.015 571 HG3 ARG 81 2HG ARG 81 11.567 -17.054 -0.556 572 HD2 ARG 81 1HD ARG 81 8.931 -16.844 0.957 573 HD3 ARG 81 2HD ARG 81 9.096 -17.910 -0.423 574 HE ARG 81 HE ARG 81 11.207 -18.707 0.995 575 HH11 ARG 81 1HH1 ARG 81 7.814 -18.337 2.039 576 HH12 ARG 81 2HH1 ARG 81 8.045 -19.224 3.505 577 HH21 ARG 81 1HH2 ARG 81 11.509 -19.737 3.020 578 HH22 ARG 81 2HH2 ARG 81 10.149 -19.978 4.075 579 H TYR 82 H TYR 82 11.142 -12.664 1.303 580 HA TYR 82 HA TYR 82 11.012 -11.270 -1.202 581 HB2 TYR 82 1HB TYR 82 10.769 -10.381 1.701 582 HB3 TYR 82 2HB TYR 82 10.680 -9.247 0.376 583 HD1 TYR 82 1HD TYR 82 8.840 -9.373 -1.331 584 HD2 TYR 82 2HD TYR 82 8.814 -11.690 2.300 585 HE1 TYR 82 1HE TYR 82 6.370 -9.664 -1.519 586 HE2 TYR 82 2HE TYR 82 6.384 -12.017 2.095 587 HH TYR 82 HH TYR 82 4.492 -11.465 0.949 588 H ARG 83 H ARG 83 13.321 -11.026 1.562 589 HA ARG 83 HA ARG 83 14.718 -8.776 0.586 590 HB2 ARG 83 1HB ARG 83 15.388 -11.056 2.459 591 HB3 ARG 83 2HB ARG 83 16.683 -10.054 1.870 592 HG2 ARG 83 1HG ARG 83 15.134 -8.031 2.637 593 HG3 ARG 83 2HG ARG 83 14.309 -9.263 3.599 594 HD2 ARG 83 1HD ARG 83 16.089 -8.149 4.908 595 HD3 ARG 83 2HD ARG 83 16.473 -9.860 4.656 596 HE ARG 83 HE ARG 83 17.559 -8.250 2.543 597 HH11 ARG 83 1HH1 ARG 83 18.192 -8.914 5.929 598 HH12 ARG 83 2HH1 ARG 83 19.925 -9.049 5.738 599 HH21 ARG 83 1HH2 ARG 83 19.690 -8.889 2.221 600 HH22 ARG 83 2HH2 ARG 83 20.807 -8.913 3.565 601 H ARG 84 H ARG 84 15.277 -12.198 -0.175 602 HA ARG 84 HA ARG 84 17.688 -11.681 -1.682 603 HB2 ARG 84 1HB ARG 84 15.809 -14.033 -1.377 604 HB3 ARG 84 2HB ARG 84 17.220 -14.116 -2.437 605 HG2 ARG 84 1HG ARG 84 18.734 -13.798 -0.613 606 HG3 ARG 84 2HG ARG 84 17.410 -13.537 0.537 607 HD2 ARG 84 1HD ARG 84 16.585 -15.792 0.186 608 HD3 ARG 84 2HD ARG 84 17.765 -16.094 -1.102 609 HE ARG 84 HE ARG 84 18.149 -16.088 1.797 610 HH11 ARG 84 1HH1 ARG 84 19.823 -16.283 -1.356 611 HH12 ARG 84 2HH1 ARG 84 21.422 -16.212 -0.653 612 HH21 ARG 84 1HH2 ARG 84 20.223 -16.384 2.669 613 HH22 ARG 84 2HH2 ARG 84 21.646 -16.413 1.695 614 H ASP 85 H ASP 85 14.586 -10.679 -2.569 615 HA ASP 85 HA ASP 85 14.277 -11.869 -5.127 616 HB2 ASP 85 1HB ASP 85 12.513 -10.670 -3.816 617 HB3 ASP 85 2HB ASP 85 13.360 -9.187 -4.085 618 H TYR 86 H TYR 86 14.298 -10.613 -7.146 619 HA TYR 86 HA TYR 86 16.879 -9.232 -7.417 620 HB2 TYR 86 1HB TYR 86 15.830 -11.365 -8.773 621 HB3 TYR 86 2HB TYR 86 15.276 -10.075 -9.840 622 HD1 TYR 86 1HD TYR 86 17.810 -8.280 -9.082 623 HD2 TYR 86 2HD TYR 86 17.345 -12.372 -10.308 624 HE1 TYR 86 1HE TYR 86 20.021 -8.185 -10.239 625 HE2 TYR 86 2HE TYR 86 19.601 -12.324 -11.380 626 HH TYR 86 HH TYR 86 21.331 -10.849 -12.145 627 H PHE 87 H PHE 87 14.206 -8.178 -6.649 628 HA PHE 87 HA PHE 87 14.362 -5.564 -8.032 629 HB2 PHE 87 1HB PHE 87 12.703 -6.654 -9.331 630 HB3 PHE 87 2HB PHE 87 11.888 -7.297 -7.939 631 HD1 PHE 87 2HD PHE 87 12.936 -3.696 -8.100 632 HD2 PHE 87 1HD PHE 87 9.733 -6.544 -8.521 633 HE1 PHE 87 2HE PHE 87 11.336 -1.851 -8.432 634 HE2 PHE 87 1HE PHE 87 8.150 -4.708 -8.927 635 HZ PHE 87 HZ PHE 87 8.960 -2.349 -8.880 636 H TRP 88 H TRP 88 12.294 -7.233 -5.564 637 HA TRP 88 HA TRP 88 11.892 -4.924 -3.979 638 HB2 TRP 88 1HB TRP 88 11.721 -7.900 -3.337 639 HB3 TRP 88 2HB TRP 88 11.391 -6.657 -2.139 640 HD1 TRP 88 HD TRP 88 9.838 -8.258 -5.229 641 HE1 TRP 88 1HE TRP 88 7.383 -7.630 -5.353 642 HE3 TRP 88 3HE TRP 88 9.782 -4.700 -1.595 643 HZ2 TRP 88 2HZ TRP 88 5.539 -5.825 -3.914 644 HZ3 TRP 88 3HZ TRP 88 7.639 -3.660 -0.856 645 HH2 TRP 88 HH TRP 88 5.519 -4.245 -1.984 646 H GLN 89 H GLN 89 14.758 -6.710 -4.261 647 HA GLN 89 HA GLN 89 16.185 -6.605 -2.171 648 HB2 GLN 89 1HB GLN 89 18.203 -5.728 -3.526 649 HB3 GLN 89 2HB GLN 89 17.502 -7.416 -3.558 650 HG2 GLN 89 1HG GLN 89 16.213 -6.998 -5.342 651 HG3 GLN 89 2HG GLN 89 16.326 -5.284 -5.096 652 HE21 GLN 89 1HE2 GLN 89 18.564 -7.994 -5.852 653 HE22 GLN 89 2HE2 GLN 89 19.557 -7.026 -6.960 654 H THR 90 H THR 90 16.064 -3.712 -4.192 655 HA THR 90 HA THR 90 17.415 -1.864 -2.563 656 HB THR 90 HB THR 90 17.107 -1.049 -4.653 657 HG1 THR 90 1HG THR 90 15.474 0.630 -4.598 658 HG21 THR 90 3HG2 THR 90 14.974 -1.013 -5.971 659 HG22 THR 90 1HG2 THR 90 14.288 -2.094 -4.749 660 HG23 THR 90 2HG2 THR 90 15.695 -2.592 -5.706 661 H TYR 91 H TYR 91 13.932 -2.581 -2.688 662 HA TYR 91 HA TYR 91 13.197 -0.768 -0.669 663 HB2 TYR 91 1HB TYR 91 11.737 -3.093 -1.944 664 HB3 TYR 91 2HB TYR 91 10.985 -1.976 -0.886 665 HD1 TYR 91 2HD TYR 91 10.876 0.525 -1.508 666 HD2 TYR 91 1HD TYR 91 12.210 -2.478 -4.313 667 HE1 TYR 91 2HE TYR 91 10.409 2.064 -3.405 668 HE2 TYR 91 1HE TYR 91 11.725 -0.961 -6.180 669 HH TYR 91 HH TYR 91 11.268 1.347 -6.724 670 H ALA 92 H ALA 92 14.948 -3.600 -0.188 671 HA ALA 92 HA ALA 92 13.632 -4.881 1.966 672 HB1 ALA 92 1HB ALA 92 16.609 -4.652 1.387 673 HB2 ALA 92 2HB ALA 92 15.834 -5.835 2.456 674 HB3 ALA 92 3HB ALA 92 15.501 -5.887 0.711 675 H ALA 93 H ALA 93 15.403 -1.851 1.871 676 HA ALA 93 HA ALA 93 16.313 -1.890 4.496 677 HB1 ALA 93 1HB ALA 93 16.754 -0.178 2.526 678 HB2 ALA 93 2HB ALA 93 15.489 0.768 3.351 679 HB3 ALA 93 3HB ALA 93 16.945 0.289 4.214 680 H TRP 94 H TRP 94 13.040 -1.492 3.385 681 HA TRP 94 HA TRP 94 12.110 -0.502 6.040 682 HB2 TRP 94 1HB TRP 94 10.848 -0.213 3.312 683 HB3 TRP 94 2HB TRP 94 10.183 0.405 4.793 684 HD1 TRP 94 HD TRP 94 10.925 2.744 5.601 685 HE1 TRP 94 1HE TRP 94 12.261 4.624 4.493 686 HE3 TRP 94 3HE TRP 94 13.142 0.116 1.789 687 HZ2 TRP 94 2HZ TRP 94 14.130 4.940 2.369 688 HZ3 TRP 94 3HZ TRP 94 14.627 1.250 0.192 689 HH2 TRP 94 HH TRP 94 15.140 3.678 0.459 690 H ILE 95 H ILE 95 12.553 -3.393 4.713 691 HA ILE 95 HA ILE 95 9.776 -4.399 5.037 692 HB ILE 95 HB ILE 95 12.219 -5.557 3.665 693 HG12 ILE 95 1HG1 ILE 95 9.398 -4.942 2.681 694 HG13 ILE 95 2HG1 ILE 95 10.726 -3.807 2.519 695 HG21 ILE 95 1HG2 ILE 95 9.503 -6.901 4.082 696 HG22 ILE 95 2HG2 ILE 95 10.875 -7.553 3.156 697 HG23 ILE 95 3HG2 ILE 95 11.008 -7.364 4.897 698 HD11 ILE 95 3HD1 ILE 95 10.495 -6.517 1.162 699 HD12 ILE 95 1HD1 ILE 95 10.364 -4.901 0.449 700 HD13 ILE 95 2HD1 ILE 95 11.916 -5.453 1.061 701 H GLN 96 H GLN 96 9.298 -5.062 7.039 702 HA GLN 96 HA GLN 96 11.412 -6.358 8.703 703 HB2 GLN 96 1HB GLN 96 9.969 -5.589 10.670 704 HB3 GLN 96 2HB GLN 96 10.989 -4.385 9.894 705 HG2 GLN 96 1HG GLN 96 9.131 -3.278 8.962 706 HG3 GLN 96 2HG GLN 96 8.086 -4.700 9.105 707 HE21 GLN 96 1HE2 GLN 96 10.142 -3.369 11.889 708 HE22 GLN 96 2HE2 GLN 96 8.677 -3.193 12.829 709 HA PRO 97 HA PRO 97 8.460 -9.728 8.985 710 HB2 PRO 97 1HB PRO 97 8.780 -10.663 11.540 711 HB3 PRO 97 2HB PRO 97 9.993 -10.925 10.251 712 HG2 PRO 97 1HG PRO 97 9.968 -8.807 12.404 713 HG3 PRO 97 2HG PRO 97 11.339 -9.841 11.884 714 HD2 PRO 97 1HD PRO 97 11.008 -7.281 11.025 715 HD3 PRO 97 2HD PRO 97 11.718 -8.516 9.974 716 H MET 98 H MET 98 6.484 -10.283 10.074 717 HA MET 98 HA MET 98 4.890 -8.117 11.115 718 HB2 MET 98 1HB MET 98 4.509 -10.903 10.100 719 HB3 MET 98 2HB MET 98 3.352 -10.392 11.291 720 HG2 MET 98 1HG MET 98 3.134 -8.228 9.865 721 HG3 MET 98 2HG MET 98 3.950 -9.161 8.611 722 HE1 MET 98 3HE MET 98 2.557 -9.934 6.775 723 HE2 MET 98 1HE MET 98 2.781 -11.506 7.589 724 HE3 MET 98 2HE MET 98 1.187 -11.049 6.958 725 H GLU 99 H GLU 99 3.251 -9.206 12.953 726 HA GLU 99 HA GLU 99 4.877 -9.849 15.341 727 HB2 GLU 99 1HB GLU 99 2.973 -9.060 16.650 728 HB3 GLU 99 2HB GLU 99 3.553 -7.790 15.580 729 HG2 GLU 99 1HG GLU 99 1.728 -8.324 13.992 730 HG3 GLU 99 2HG GLU 99 1.126 -9.581 15.086 731 H GLN 100 H GLN 100 2.986 -11.096 16.846 732 HA GLN 100 HA GLN 100 1.625 -13.227 15.470 733 HB2 GLN 100 1HB GLN 100 3.894 -13.707 17.456 734 HB3 GLN 100 2HB GLN 100 2.586 -14.851 17.263 735 HG2 GLN 100 1HG GLN 100 4.278 -14.031 14.876 736 HG3 GLN 100 2HG GLN 100 4.818 -15.239 16.030 737 HE21 GLN 100 1HE2 GLN 100 2.989 -17.013 16.559 738 HE22 GLN 100 2HE2 GLN 100 2.406 -17.757 15.085 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -22.221 7.973 -7.361 2 HA2 GLY 1 1HA GLY 1 -22.897 9.090 -5.319 3 HA3 GLY 1 2HA GLY 1 -24.591 8.836 -5.799 4 H SER 2 H SER 2 -22.145 7.620 -3.848 5 HA SER 2 HA SER 2 -23.308 4.921 -3.713 6 HB2 SER 2 1HB SER 2 -20.352 5.446 -4.243 7 HB3 SER 2 2HB SER 2 -21.160 3.876 -4.055 8 HG SER 2 HG SER 2 -21.053 4.053 -6.127 9 H HIS 3 H HIS 3 -21.336 3.818 -1.984 10 HA HIS 3 HA HIS 3 -21.099 5.654 0.301 11 HB2 HIS 3 1HB HIS 3 -23.276 4.497 0.555 12 HB3 HIS 3 2HB HIS 3 -22.475 2.935 0.340 13 HD1 HIS 3 1HD HIS 3 -22.183 1.779 2.601 14 HD2 HIS 3 2HD HIS 3 -21.763 5.972 2.727 15 HE1 HIS 3 1HE HIS 3 -21.600 2.375 5.024 16 H GLU 4 H GLU 4 -19.069 5.175 -1.387 17 HA GLU 4 HA GLU 4 -17.306 3.522 0.195 18 HB2 GLU 4 1HB GLU 4 -16.489 2.356 -1.941 19 HB3 GLU 4 2HB GLU 4 -17.961 1.755 -1.212 20 HG2 GLU 4 1HG GLU 4 -18.457 3.836 -3.290 21 HG3 GLU 4 2HG GLU 4 -17.604 2.436 -3.882 22 H GLY 5 H GLY 5 -15.073 3.961 -0.307 23 HA2 GLY 5 1HA GLY 5 -13.796 5.490 -2.094 24 HA3 GLY 5 2HA GLY 5 -14.661 6.738 -1.188 25 H GLU 6 H GLU 6 -13.874 4.123 1.050 26 HA GLU 6 HA GLU 6 -11.871 5.593 2.354 27 HB2 GLU 6 1HB GLU 6 -13.585 3.978 3.278 28 HB3 GLU 6 2HB GLU 6 -12.826 2.712 2.318 29 HG2 GLU 6 1HG GLU 6 -12.032 2.248 4.313 30 HG3 GLU 6 2HG GLU 6 -10.725 3.163 3.660 31 HA PRO 7 HA PRO 7 -8.676 4.441 -0.514 32 HB2 PRO 7 1HB PRO 7 -6.413 5.034 0.911 33 HB3 PRO 7 2HB PRO 7 -7.651 6.268 0.516 34 HG2 PRO 7 1HG PRO 7 -7.598 4.523 3.033 35 HG3 PRO 7 2HG PRO 7 -7.441 6.285 3.007 36 HD2 PRO 7 1HD PRO 7 -9.806 5.210 3.346 37 HD3 PRO 7 2HD PRO 7 -9.682 6.471 2.085 38 H VAL 8 H VAL 8 -9.555 2.065 -0.197 39 HA VAL 8 HA VAL 8 -7.375 0.375 0.948 40 HB VAL 8 HB VAL 8 -10.280 -0.410 0.782 41 HG11 VAL 8 1HG1 VAL 8 -8.645 -2.260 1.152 42 HG12 VAL 8 2HG1 VAL 8 -8.016 -1.403 2.582 43 HG13 VAL 8 3HG1 VAL 8 -9.679 -2.018 2.559 44 HG21 VAL 8 3HG2 VAL 8 -10.457 0.116 3.233 45 HG22 VAL 8 1HG2 VAL 8 -8.927 1.017 3.095 46 HG23 VAL 8 2HG2 VAL 8 -10.372 1.512 2.172 47 H VAL 9 H VAL 9 -6.605 -1.343 -0.117 48 HA VAL 9 HA VAL 9 -6.813 -1.381 -2.961 49 HB VAL 9 HB VAL 9 -4.809 -2.139 -1.951 50 HG11 VAL 9 1HG1 VAL 9 -4.677 -4.283 -0.627 51 HG12 VAL 9 2HG1 VAL 9 -5.336 -2.893 0.232 52 HG13 VAL 9 3HG1 VAL 9 -6.421 -4.157 -0.374 53 HG21 VAL 9 3HG2 VAL 9 -6.123 -4.666 -2.972 54 HG22 VAL 9 1HG2 VAL 9 -5.576 -3.332 -4.016 55 HG23 VAL 9 2HG2 VAL 9 -4.407 -4.230 -3.020 56 H GLY 10 H GLY 10 -8.408 -2.117 -4.237 57 HA2 GLY 10 1HA GLY 10 -9.814 -4.624 -3.570 58 HA3 GLY 10 2HA GLY 10 -10.787 -3.160 -3.765 59 H MET 11 H MET 11 -8.141 -4.899 -5.376 60 HA MET 11 HA MET 11 -7.457 -5.244 -7.451 61 HB2 MET 11 1HB MET 11 -10.430 -5.258 -7.934 62 HB3 MET 11 2HB MET 11 -9.308 -5.404 -9.281 63 HG2 MET 11 1HG MET 11 -9.207 -7.195 -6.834 64 HG3 MET 11 2HG MET 11 -10.088 -7.576 -8.300 65 HE1 MET 11 3HE MET 11 -7.096 -10.074 -8.373 66 HE2 MET 11 1HE MET 11 -7.921 -9.432 -6.934 67 HE3 MET 11 2HE MET 11 -8.867 -9.882 -8.369 68 H ASP 12 H ASP 12 -9.849 -2.558 -7.732 69 HA ASP 12 HA ASP 12 -8.319 -1.034 -9.664 70 HB2 ASP 12 1HB ASP 12 -10.656 -0.504 -9.238 71 HB3 ASP 12 2HB ASP 12 -10.313 -0.183 -7.539 72 H LYS 13 H LYS 13 -6.298 -0.454 -9.281 73 HA LYS 13 HA LYS 13 -5.449 0.366 -6.569 74 HB2 LYS 13 1HB LYS 13 -3.929 -0.563 -9.039 75 HB3 LYS 13 2HB LYS 13 -3.120 0.160 -7.677 76 HG2 LYS 13 1HG LYS 13 -4.683 -2.447 -7.544 77 HG3 LYS 13 2HG LYS 13 -2.954 -2.204 -7.696 78 HD2 LYS 13 1HD LYS 13 -3.029 -0.885 -5.511 79 HD3 LYS 13 2HD LYS 13 -4.674 -1.495 -5.340 80 HE2 LYS 13 1HE LYS 13 -3.108 -2.820 -4.031 81 HE3 LYS 13 2HE LYS 13 -3.847 -3.798 -5.292 82 HZ1 LYS 13 3HZ LYS 13 -1.117 -2.685 -5.346 83 HZ2 LYS 13 1HZ LYS 13 -1.777 -3.546 -6.553 84 HZ3 LYS 13 2HZ LYS 13 -1.526 -4.269 -5.127 85 H SER 14 H SER 14 -6.689 2.406 -6.939 86 HA SER 14 HA SER 14 -4.460 4.250 -7.379 87 HB2 SER 14 1HB SER 14 -6.908 4.391 -9.102 88 HB3 SER 14 2HB SER 14 -6.278 5.914 -8.447 89 HG SER 14 HG SER 14 -5.367 4.771 -10.524 90 H LEU 15 H LEU 15 -7.395 3.424 -5.731 91 HA LEU 15 HA LEU 15 -8.249 5.847 -4.816 92 HB2 LEU 15 1HB LEU 15 -8.486 3.205 -3.312 93 HB3 LEU 15 2HB LEU 15 -9.531 4.606 -3.153 94 HG LEU 15 HG LEU 15 -10.754 3.048 -4.360 95 HD11 LEU 15 1HD1 LEU 15 -10.966 5.317 -5.238 96 HD12 LEU 15 2HD1 LEU 15 -11.192 4.090 -6.506 97 HD13 LEU 15 3HD1 LEU 15 -9.675 4.997 -6.421 98 HD21 LEU 15 3HD2 LEU 15 -8.771 1.631 -5.094 99 HD22 LEU 15 1HD2 LEU 15 -8.724 2.682 -6.551 100 HD23 LEU 15 2HD2 LEU 15 -10.166 1.770 -6.170 101 H PHE 16 H PHE 16 -5.268 4.773 -3.890 102 HA PHE 16 HA PHE 16 -5.381 5.134 -1.025 103 HB2 PHE 16 1HB PHE 16 -2.857 5.160 -2.700 104 HB3 PHE 16 2HB PHE 16 -3.044 4.755 -1.011 105 HD1 PHE 16 2HD PHE 16 -3.628 3.631 -4.529 106 HD2 PHE 16 1HD PHE 16 -3.766 2.629 -0.378 107 HE1 PHE 16 2HE PHE 16 -4.253 1.331 -5.132 108 HE2 PHE 16 1HE PHE 16 -4.278 0.227 -0.971 109 HZ PHE 16 HZ PHE 16 -4.709 -0.365 -3.322 110 H ALA 17 H ALA 17 -4.059 7.077 -3.767 111 HA ALA 17 HA ALA 17 -3.251 9.240 -2.084 112 HB1 ALA 17 1HB ALA 17 -3.655 9.044 -5.105 113 HB2 ALA 17 2HB ALA 17 -2.797 10.363 -4.288 114 HB3 ALA 17 3HB ALA 17 -2.140 8.717 -4.233 115 H GLY 18 H GLY 18 -6.073 8.447 -2.166 116 HA2 GLY 18 1HA GLY 18 -7.393 11.106 -2.523 117 HA3 GLY 18 2HA GLY 18 -8.238 9.561 -2.699 118 H ASN 19 H ASN 19 -6.058 9.205 -0.095 119 HA ASN 19 HA ASN 19 -7.577 10.943 1.711 120 HB2 ASN 19 1HB ASN 19 -8.353 8.465 1.985 121 HB3 ASN 19 2HB ASN 19 -6.733 8.236 2.680 122 HD21 ASN 19 1HD2 ASN 19 -8.203 7.662 4.756 123 HD22 ASN 19 2HD2 ASN 19 -8.647 9.058 5.674 124 H THR 20 H THR 20 -6.341 11.422 3.611 125 HA THR 20 HA THR 20 -3.483 11.820 2.903 126 HB THR 20 HB THR 20 -4.240 13.965 4.427 127 HG1 THR 20 1HG THR 20 -6.496 13.460 2.811 128 HG21 THR 20 3HG2 THR 20 -3.237 14.143 2.248 129 HG22 THR 20 1HG2 THR 20 -4.706 15.137 2.263 130 HG23 THR 20 2HG2 THR 20 -4.710 13.548 1.452 131 H VAL 21 H VAL 21 -5.215 10.070 5.078 132 HA VAL 21 HA VAL 21 -3.507 10.696 7.417 133 HB VAL 21 HB VAL 21 -5.524 12.061 7.411 134 HG11 VAL 21 1HG1 VAL 21 -7.106 9.473 7.387 135 HG12 VAL 21 2HG1 VAL 21 -7.775 11.082 7.696 136 HG13 VAL 21 3HG1 VAL 21 -7.054 10.738 6.135 137 HG21 VAL 21 3HG2 VAL 21 -5.729 9.994 9.614 138 HG22 VAL 21 1HG2 VAL 21 -4.672 11.431 9.599 139 HG23 VAL 21 2HG2 VAL 21 -6.420 11.621 9.606 140 H ILE 22 H ILE 22 -4.248 8.347 5.305 141 HA ILE 22 HA ILE 22 -4.905 6.095 7.008 142 HB ILE 22 HB ILE 22 -5.800 5.969 4.889 143 HG12 ILE 22 1HG1 ILE 22 -3.309 4.330 4.352 144 HG13 ILE 22 2HG1 ILE 22 -4.326 3.981 5.756 145 HG21 ILE 22 1HG2 ILE 22 -4.633 7.712 3.625 146 HG22 ILE 22 2HG2 ILE 22 -3.154 6.731 3.585 147 HG23 ILE 22 3HG2 ILE 22 -4.600 6.209 2.716 148 HD11 ILE 22 3HD1 ILE 22 -6.263 3.655 4.392 149 HD12 ILE 22 1HD1 ILE 22 -5.334 4.057 2.918 150 HD13 ILE 22 2HD1 ILE 22 -4.974 2.590 3.848 151 H ARG 23 H ARG 23 -3.343 5.681 8.506 152 HA ARG 23 HA ARG 23 -0.513 6.049 7.820 153 HB2 ARG 23 1HB ARG 23 -1.756 5.109 10.427 154 HB3 ARG 23 2HB ARG 23 -0.025 5.381 10.140 155 HG2 ARG 23 1HG ARG 23 -0.627 7.711 9.354 156 HG3 ARG 23 2HG ARG 23 -2.235 7.424 10.062 157 HD2 ARG 23 1HD ARG 23 0.384 7.220 11.594 158 HD3 ARG 23 2HD ARG 23 -0.468 8.743 11.394 159 HE ARG 23 HE ARG 23 -1.087 6.544 13.136 160 HH11 ARG 23 1HH1 ARG 23 -2.568 9.388 11.540 161 HH12 ARG 23 2HH1 ARG 23 -3.405 9.882 12.981 162 HH21 ARG 23 1HH2 ARG 23 -2.407 7.113 14.885 163 HH22 ARG 23 2HH2 ARG 23 -3.647 8.342 14.743 164 H GLU 24 H GLU 24 -2.651 3.551 7.114 165 HA GLU 24 HA GLU 24 -0.509 1.501 7.157 166 HB2 GLU 24 1HB GLU 24 -2.667 1.877 9.086 167 HB3 GLU 24 2HB GLU 24 -2.969 0.399 8.208 168 HG2 GLU 24 1HG GLU 24 -0.692 -0.428 8.754 169 HG3 GLU 24 2HG GLU 24 -0.322 1.136 9.476 170 H ILE 25 H ILE 25 -0.753 -0.045 5.600 171 HA ILE 25 HA ILE 25 -3.258 -0.274 4.067 172 HB ILE 25 HB ILE 25 -0.598 0.359 2.780 173 HG12 ILE 25 1HG1 ILE 25 -3.064 2.113 2.886 174 HG13 ILE 25 2HG1 ILE 25 -1.562 2.395 3.730 175 HG21 ILE 25 1HG2 ILE 25 -3.228 0.256 1.299 176 HG22 ILE 25 2HG2 ILE 25 -1.578 0.127 0.652 177 HG23 ILE 25 3HG2 ILE 25 -2.295 -1.223 1.547 178 HD11 ILE 25 3HD1 ILE 25 -1.924 2.414 0.735 179 HD12 ILE 25 1HD1 ILE 25 -1.688 3.811 1.777 180 HD13 ILE 25 2HD1 ILE 25 -0.373 2.610 1.564 181 H THR 26 H THR 26 -3.507 -2.454 4.693 182 HA THR 26 HA THR 26 -1.260 -4.319 4.336 183 HB THR 26 HB THR 26 -4.130 -4.778 5.222 184 HG1 THR 26 1HG THR 26 -3.205 -4.827 7.225 185 HG21 THR 26 3HG2 THR 26 -1.706 -6.651 5.108 186 HG22 THR 26 1HG2 THR 26 -3.262 -6.855 4.264 187 HG23 THR 26 2HG2 THR 26 -3.199 -6.977 6.026 188 H VAL 27 H VAL 27 -0.751 -4.459 2.215 189 HA VAL 27 HA VAL 27 -2.841 -4.842 0.175 190 HB VAL 27 HB VAL 27 0.113 -5.029 -0.397 191 HG11 VAL 27 1HG1 VAL 27 -0.572 -4.136 -2.555 192 HG12 VAL 27 2HG1 VAL 27 -1.610 -5.497 -2.160 193 HG13 VAL 27 3HG1 VAL 27 -2.222 -3.847 -1.963 194 HG21 VAL 27 3HG2 VAL 27 0.242 -2.609 -0.857 195 HG22 VAL 27 1HG2 VAL 27 -1.375 -2.391 -0.135 196 HG23 VAL 27 2HG2 VAL 27 0.003 -2.915 0.864 197 H GLN 28 H GLN 28 -2.974 -6.831 -1.029 198 HA GLN 28 HA GLN 28 -1.655 -9.232 0.200 199 HB2 GLN 28 1HB GLN 28 -4.195 -9.246 -1.458 200 HB3 GLN 28 2HB GLN 28 -3.599 -10.455 -0.340 201 HG2 GLN 28 1HG GLN 28 -5.225 -9.632 0.998 202 HG3 GLN 28 2HG GLN 28 -3.981 -8.506 1.481 203 HE21 GLN 28 1HE2 GLN 28 -4.925 -6.375 1.626 204 HE22 GLN 28 2HE2 GLN 28 -6.171 -5.875 0.511 205 HA PRO 29 HA PRO 29 0.273 -9.810 -3.743 206 HB2 PRO 29 1HB PRO 29 0.032 -12.520 -4.199 207 HB3 PRO 29 2HB PRO 29 1.161 -11.809 -2.998 208 HG2 PRO 29 1HG PRO 29 -1.613 -12.955 -2.526 209 HG3 PRO 29 2HG PRO 29 -0.112 -13.255 -1.580 210 HD2 PRO 29 1HD PRO 29 -1.892 -11.505 -0.716 211 HD3 PRO 29 2HD PRO 29 -0.149 -11.148 -0.601 212 H ASN 30 H ASN 30 -0.212 -10.587 -5.970 213 HA ASN 30 HA ASN 30 -1.411 -10.765 -7.806 214 HB2 ASN 30 1HB ASN 30 -2.988 -12.508 -5.909 215 HB3 ASN 30 2HB ASN 30 -3.374 -12.398 -7.609 216 HD21 ASN 30 1HD2 ASN 30 -1.749 -14.513 -5.627 217 HD22 ASN 30 2HD2 ASN 30 -0.539 -15.001 -6.770 218 H ILE 31 H ILE 31 -2.967 -8.871 -5.445 219 HA ILE 31 HA ILE 31 -5.338 -8.345 -7.036 220 HB ILE 31 HB ILE 31 -5.564 -8.893 -4.800 221 HG12 ILE 31 1HG1 ILE 31 -6.388 -5.985 -4.859 222 HG13 ILE 31 2HG1 ILE 31 -7.020 -7.107 -6.056 223 HG21 ILE 31 1HG2 ILE 31 -3.809 -6.496 -4.208 224 HG22 ILE 31 2HG2 ILE 31 -4.889 -7.222 -2.983 225 HG23 ILE 31 3HG2 ILE 31 -3.626 -8.188 -3.731 226 HD11 ILE 31 3HD1 ILE 31 -7.301 -7.398 -3.063 227 HD12 ILE 31 1HD1 ILE 31 -8.573 -6.995 -4.229 228 HD13 ILE 31 2HD1 ILE 31 -7.813 -8.602 -4.270 229 H GLY 32 H GLY 32 -3.439 -7.401 -8.621 230 HA2 GLY 32 1HA GLY 32 -3.410 -5.482 -10.005 231 HA3 GLY 32 2HA GLY 32 -3.988 -4.490 -8.674 232 H LEU 33 H LEU 33 -1.967 -3.505 -10.128 233 HA LEU 33 HA LEU 33 0.695 -4.383 -9.442 234 HB2 LEU 33 1HB LEU 33 -0.227 -3.380 -11.602 235 HB3 LEU 33 2HB LEU 33 -0.321 -1.832 -10.763 236 HG LEU 33 HG LEU 33 2.067 -1.648 -10.629 237 HD11 LEU 33 1HD1 LEU 33 3.562 -3.391 -11.633 238 HD12 LEU 33 2HD1 LEU 33 2.163 -4.472 -11.791 239 HD13 LEU 33 3HD1 LEU 33 2.743 -3.949 -10.185 240 HD21 LEU 33 3HD2 LEU 33 0.837 -1.142 -12.771 241 HD22 LEU 33 1HD2 LEU 33 1.309 -2.741 -13.376 242 HD23 LEU 33 2HD2 LEU 33 2.544 -1.510 -12.997 243 H LEU 34 H LEU 34 2.426 -2.776 -8.506 244 HA LEU 34 HA LEU 34 1.223 -0.740 -6.711 245 HB2 LEU 34 1HB LEU 34 3.696 -2.415 -6.236 246 HB3 LEU 34 2HB LEU 34 3.266 -0.983 -5.316 247 HG LEU 34 HG LEU 34 1.388 -3.358 -5.511 248 HD11 LEU 34 1HD1 LEU 34 2.308 -4.128 -3.368 249 HD12 LEU 34 2HD1 LEU 34 3.488 -2.800 -3.372 250 HD13 LEU 34 3HD1 LEU 34 3.574 -4.086 -4.598 251 HD21 LEU 34 3HD2 LEU 34 0.325 -1.318 -4.756 252 HD22 LEU 34 1HD2 LEU 34 1.616 -1.007 -3.583 253 HD23 LEU 34 2HD2 LEU 34 0.528 -2.395 -3.369 254 H TYR 35 H TYR 35 1.226 0.567 -8.563 255 HA TYR 35 HA TYR 35 3.738 0.970 -9.985 256 HB2 TYR 35 1HB TYR 35 2.502 1.850 -11.658 257 HB3 TYR 35 2HB TYR 35 1.372 0.716 -10.988 258 HD1 TYR 35 2HD TYR 35 -0.263 1.997 -8.952 259 HD2 TYR 35 1HD TYR 35 1.821 3.921 -12.226 260 HE1 TYR 35 2HE TYR 35 -2.044 3.720 -9.123 261 HE2 TYR 35 1HE TYR 35 0.233 5.765 -12.122 262 HH TYR 35 HH TYR 35 -1.447 6.698 -10.419 263 H ASP 36 H ASP 36 4.079 3.389 -10.722 264 HA ASP 36 HA ASP 36 5.009 4.603 -8.252 265 HB2 ASP 36 1HB ASP 36 6.391 5.940 -9.507 266 HB3 ASP 36 2HB ASP 36 6.291 4.502 -10.525 267 H GLY 37 H GLY 37 4.617 6.676 -7.588 268 HA2 GLY 37 1HA GLY 37 3.448 8.602 -7.167 269 HA3 GLY 37 2HA GLY 37 2.650 8.418 -8.735 270 H MET 38 H MET 38 1.960 5.507 -7.229 271 HA MET 38 HA MET 38 -0.719 6.117 -6.997 272 HB2 MET 38 1HB MET 38 -1.077 4.018 -6.148 273 HB3 MET 38 2HB MET 38 0.166 3.874 -7.379 274 HG2 MET 38 1HG MET 38 1.836 3.713 -5.486 275 HG3 MET 38 2HG MET 38 0.434 3.638 -4.408 276 HE1 MET 38 3HE MET 38 -1.549 2.052 -4.907 277 HE2 MET 38 1HE MET 38 -1.393 0.399 -5.562 278 HE3 MET 38 2HE MET 38 -0.839 0.786 -3.915 279 H PHE 39 H PHE 39 1.630 6.989 -4.668 280 HA PHE 39 HA PHE 39 -0.414 7.181 -2.509 281 HB2 PHE 39 1HB PHE 39 2.578 6.792 -2.231 282 HB3 PHE 39 2HB PHE 39 1.398 6.877 -0.928 283 HD1 PHE 39 2HD PHE 39 -0.622 5.150 -1.114 284 HD2 PHE 39 1HD PHE 39 3.236 4.619 -2.964 285 HE1 PHE 39 2HE PHE 39 -1.005 2.702 -1.220 286 HE2 PHE 39 1HE PHE 39 2.885 2.181 -2.996 287 HZ PHE 39 HZ PHE 39 0.786 1.196 -2.097 288 H SER 40 H SER 40 0.631 9.152 -4.748 289 HA SER 40 HA SER 40 2.106 11.200 -3.394 290 HB2 SER 40 1HB SER 40 0.389 11.419 -5.869 291 HB3 SER 40 2HB SER 40 1.699 12.515 -5.378 292 HG SER 40 HG SER 40 1.770 9.928 -6.443 293 H GLY 41 H GLY 41 1.163 11.834 -1.513 294 HA2 GLY 41 1HA GLY 41 -0.179 13.778 -0.725 295 HA3 GLY 41 2HA GLY 41 -1.534 13.143 -1.658 296 H CYS 42 H CYS 42 -0.118 10.377 -0.543 297 HA CYS 42 HA CYS 42 -1.783 10.183 1.874 298 HB2 CYS 42 1HB CYS 42 0.346 8.268 0.823 299 HB3 CYS 42 2HB CYS 42 -0.891 7.959 2.049 300 HG CYS 42 HG CYS 42 -2.955 8.393 0.401 301 H THR 43 H THR 43 -0.600 12.301 2.570 302 HA THR 43 HA THR 43 2.169 12.303 3.013 303 HB THR 43 HB THR 43 1.528 14.234 4.650 304 HG1 THR 43 1HG THR 43 -0.775 14.663 3.439 305 HG21 THR 43 3HG2 THR 43 0.635 14.327 1.727 306 HG22 THR 43 1HG2 THR 43 2.290 14.561 2.321 307 HG23 THR 43 2HG2 THR 43 1.035 15.724 2.758 308 H ALA 44 H ALA 44 -0.485 11.568 5.343 309 HA ALA 44 HA ALA 44 1.555 10.548 7.253 310 HB1 ALA 44 1HB ALA 44 -1.395 11.121 7.625 311 HB2 ALA 44 2HB ALA 44 -0.283 10.434 8.833 312 HB3 ALA 44 3HB ALA 44 -0.040 12.099 8.244 313 H LEU 45 H LEU 45 1.561 9.185 5.114 314 HA LEU 45 HA LEU 45 0.475 6.540 6.017 315 HB2 LEU 45 1HB LEU 45 -0.287 6.936 3.777 316 HB3 LEU 45 2HB LEU 45 1.332 7.464 3.276 317 HG LEU 45 HG LEU 45 2.196 5.153 3.656 318 HD11 LEU 45 1HD1 LEU 45 -0.758 4.499 4.009 319 HD12 LEU 45 2HD1 LEU 45 0.500 4.316 5.238 320 HD13 LEU 45 3HD1 LEU 45 0.561 3.314 3.788 321 HD21 LEU 45 3HD2 LEU 45 -0.101 5.447 1.682 322 HD22 LEU 45 1HD2 LEU 45 1.238 4.265 1.589 323 HD23 LEU 45 2HD2 LEU 45 1.561 5.989 1.435 324 H GLU 46 H GLU 46 2.035 5.432 7.133 325 HA GLU 46 HA GLU 46 4.848 5.659 6.157 326 HB2 GLU 46 1HB GLU 46 4.039 5.710 9.061 327 HB3 GLU 46 2HB GLU 46 5.678 5.688 8.397 328 HG2 GLU 46 1HG GLU 46 5.237 7.900 7.301 329 HG3 GLU 46 2HG GLU 46 3.701 7.986 8.201 330 H LYS 47 H LYS 47 2.266 3.488 6.855 331 HA LYS 47 HA LYS 47 4.253 1.280 7.090 332 HB2 LYS 47 1HB LYS 47 1.695 1.712 8.650 333 HB3 LYS 47 2HB LYS 47 2.171 0.106 8.171 334 HG2 LYS 47 1HG LYS 47 4.458 0.622 9.252 335 HG3 LYS 47 2HG LYS 47 3.672 2.016 10.003 336 HD2 LYS 47 1HD LYS 47 2.226 0.658 11.303 337 HD3 LYS 47 2HD LYS 47 2.298 -0.679 10.146 338 HE2 LYS 47 1HE LYS 47 3.463 -1.420 12.044 339 HE3 LYS 47 2HE LYS 47 4.656 -1.119 10.763 340 HZ1 LYS 47 3HZ LYS 47 5.244 0.936 11.875 341 HZ2 LYS 47 1HZ LYS 47 5.335 -0.337 12.910 342 HZ3 LYS 47 2HZ LYS 47 4.082 0.683 13.032 343 H LEU 48 H LEU 48 3.661 -0.641 6.146 344 HA LEU 48 HA LEU 48 1.388 -0.832 4.357 345 HB2 LEU 48 1HB LEU 48 3.219 0.428 3.043 346 HB3 LEU 48 2HB LEU 48 4.232 -0.987 3.241 347 HG LEU 48 HG LEU 48 1.815 -2.050 2.238 348 HD11 LEU 48 1HD1 LEU 48 1.216 -0.741 0.316 349 HD12 LEU 48 2HD1 LEU 48 2.548 0.409 0.599 350 HD13 LEU 48 3HD1 LEU 48 1.194 0.356 1.713 351 HD21 LEU 48 3HD2 LEU 48 3.064 -2.389 0.146 352 HD22 LEU 48 1HD2 LEU 48 4.031 -2.816 1.581 353 HD23 LEU 48 2HD2 LEU 48 4.327 -1.292 0.716 354 H ILE 49 H ILE 49 0.885 -3.061 4.389 355 HA ILE 49 HA ILE 49 3.017 -4.936 5.334 356 HB ILE 49 HB ILE 49 0.084 -5.133 6.088 357 HG12 ILE 49 1HG1 ILE 49 1.554 -5.016 8.448 358 HG13 ILE 49 2HG1 ILE 49 2.426 -3.888 7.437 359 HG21 ILE 49 1HG2 ILE 49 2.470 -6.881 6.904 360 HG22 ILE 49 2HG2 ILE 49 0.844 -6.992 7.569 361 HG23 ILE 49 3HG2 ILE 49 1.099 -7.372 5.870 362 HD11 ILE 49 3HD1 ILE 49 0.302 -2.635 7.020 363 HD12 ILE 49 1HD1 ILE 49 -0.520 -3.774 8.124 364 HD13 ILE 49 2HD1 ILE 49 0.756 -2.717 8.736 365 H LEU 50 H LEU 50 3.159 -6.829 4.184 366 HA LEU 50 HA LEU 50 1.458 -7.059 1.752 367 HB2 LEU 50 1HB LEU 50 4.384 -7.730 2.170 368 HB3 LEU 50 2HB LEU 50 3.474 -8.088 0.714 369 HG LEU 50 HG LEU 50 4.292 -5.369 1.791 370 HD11 LEU 50 1HD1 LEU 50 5.531 -5.250 -0.343 371 HD12 LEU 50 2HD1 LEU 50 4.902 -6.841 -0.810 372 HD13 LEU 50 3HD1 LEU 50 6.005 -6.683 0.581 373 HD21 LEU 50 3HD2 LEU 50 3.298 -4.503 -0.407 374 HD22 LEU 50 1HD2 LEU 50 2.149 -4.903 0.880 375 HD23 LEU 50 2HD2 LEU 50 2.405 -6.021 -0.475 376 H THR 51 H THR 51 -0.020 -8.552 2.573 377 HA THR 51 HA THR 51 0.897 -10.894 4.068 378 HB THR 51 HB THR 51 -0.920 -9.829 5.046 379 HG1 THR 51 1HG THR 51 -1.090 -12.075 5.056 380 HG21 THR 51 3HG2 THR 51 -2.363 -10.006 2.387 381 HG22 THR 51 1HG2 THR 51 -1.828 -8.538 3.251 382 HG23 THR 51 2HG2 THR 51 -3.107 -9.528 3.929 383 H GLY 52 H GLY 52 2.183 -11.278 2.051 384 HA2 GLY 52 1HA GLY 52 0.815 -13.537 0.646 385 HA3 GLY 52 2HA GLY 52 1.966 -12.519 -0.216 386 H GLU 53 H GLU 53 2.060 -15.442 0.422 387 HA GLU 53 HA GLU 53 4.017 -15.788 2.500 388 HB2 GLU 53 1HB GLU 53 1.947 -17.251 1.423 389 HB3 GLU 53 2HB GLU 53 3.329 -18.010 0.651 390 HG2 GLU 53 1HG GLU 53 4.363 -18.279 2.930 391 HG3 GLU 53 2HG GLU 53 2.879 -17.559 3.611 392 H ASP 54 H ASP 54 4.136 -15.322 -0.894 393 HA ASP 54 HA ASP 54 7.034 -15.977 -1.045 394 HB2 ASP 54 1HB ASP 54 4.838 -16.998 -2.765 395 HB3 ASP 54 2HB ASP 54 5.971 -16.045 -3.668 396 HA PRO 55 HA PRO 55 7.147 -11.722 -2.401 397 HB2 PRO 55 1HB PRO 55 9.379 -11.817 -4.119 398 HB3 PRO 55 2HB PRO 55 9.402 -11.591 -2.366 399 HG2 PRO 55 1HG PRO 55 10.039 -14.025 -3.931 400 HG3 PRO 55 2HG PRO 55 10.533 -13.620 -2.262 401 HD2 PRO 55 1HD PRO 55 8.576 -15.470 -2.983 402 HD3 PRO 55 2HD PRO 55 8.783 -14.712 -1.366 403 H SER 56 H SER 56 7.623 -14.116 -5.052 404 HA SER 56 HA SER 56 7.556 -12.379 -7.114 405 HB2 SER 56 1HB SER 56 6.468 -15.196 -7.251 406 HB3 SER 56 2HB SER 56 7.370 -14.315 -8.500 407 HG SER 56 HG SER 56 9.207 -14.389 -7.124 408 H ALA 57 H ALA 57 4.695 -13.562 -5.477 409 HA ALA 57 HA ALA 57 2.798 -13.136 -7.614 410 HB1 ALA 57 1HB ALA 57 2.625 -14.779 -5.650 411 HB2 ALA 57 2HB ALA 57 2.121 -13.378 -4.691 412 HB3 ALA 57 3HB ALA 57 1.196 -13.816 -6.103 413 H TYR 58 H TYR 58 4.600 -10.821 -6.094 414 HA TYR 58 HA TYR 58 2.447 -8.759 -6.177 415 HB2 TYR 58 1HB TYR 58 5.090 -8.911 -4.685 416 HB3 TYR 58 2HB TYR 58 4.407 -7.368 -5.104 417 HD1 TYR 58 2HD TYR 58 2.069 -6.709 -4.142 418 HD2 TYR 58 1HD TYR 58 4.363 -10.064 -2.772 419 HE1 TYR 58 2HE TYR 58 0.687 -6.811 -2.122 420 HE2 TYR 58 1HE TYR 58 2.761 -10.400 -0.908 421 HH TYR 58 HH TYR 58 0.358 -7.946 0.019 422 H SER 59 H SER 59 3.010 -6.860 -7.329 423 HA SER 59 HA SER 59 5.460 -6.863 -8.967 424 HB2 SER 59 1HB SER 59 2.662 -6.281 -10.003 425 HB3 SER 59 2HB SER 59 4.165 -5.921 -10.878 426 HG SER 59 HG SER 59 2.820 -8.119 -11.052 427 H ALA 60 H ALA 60 6.237 -4.788 -9.241 428 HA ALA 60 HA ALA 60 5.124 -2.335 -8.086 429 HB1 ALA 60 1HB ALA 60 7.451 -3.813 -6.820 430 HB2 ALA 60 2HB ALA 60 7.081 -2.100 -6.591 431 HB3 ALA 60 3HB ALA 60 5.930 -3.340 -6.050 432 H GLY 61 H GLY 61 6.438 -0.545 -8.828 433 HA2 GLY 61 1HA GLY 61 8.047 -1.235 -11.222 434 HA3 GLY 61 2HA GLY 61 7.177 0.258 -10.917 435 H ASP 62 H ASP 62 9.131 1.333 -11.498 436 HA ASP 62 HA ASP 62 11.601 0.924 -10.109 437 HB2 ASP 62 1HB ASP 62 11.033 1.859 -12.540 438 HB3 ASP 62 2HB ASP 62 10.996 3.412 -11.704 439 H GLY 63 H GLY 63 8.848 2.195 -8.942 440 HA2 GLY 63 1HA GLY 63 10.141 3.509 -6.721 441 HA3 GLY 63 2HA GLY 63 9.209 4.606 -7.775 442 H LEU 64 H LEU 64 8.905 1.468 -6.037 443 HA LEU 64 HA LEU 64 6.121 1.054 -6.173 444 HB2 LEU 64 1HB LEU 64 7.835 -0.473 -5.243 445 HB3 LEU 64 2HB LEU 64 7.941 0.493 -3.773 446 HG LEU 64 HG LEU 64 5.406 -0.866 -4.782 447 HD11 LEU 64 1HD1 LEU 64 7.264 -2.475 -4.178 448 HD12 LEU 64 2HD1 LEU 64 5.782 -2.650 -3.222 449 HD13 LEU 64 3HD1 LEU 64 7.192 -1.825 -2.539 450 HD21 LEU 64 3HD2 LEU 64 4.775 -0.753 -2.262 451 HD22 LEU 64 1HD2 LEU 64 4.643 0.725 -3.182 452 HD23 LEU 64 2HD2 LEU 64 6.056 0.467 -2.127 453 H ARG 65 H ARG 65 8.018 3.081 -3.916 454 HA ARG 65 HA ARG 65 5.558 4.052 -2.550 455 HB2 ARG 65 1HB ARG 65 7.031 4.552 -0.640 456 HB3 ARG 65 2HB ARG 65 6.956 2.850 -1.026 457 HG2 ARG 65 1HG ARG 65 9.117 2.645 -1.402 458 HG3 ARG 65 2HG ARG 65 9.242 4.128 -2.364 459 HD2 ARG 65 1HD ARG 65 9.166 3.995 0.681 460 HD3 ARG 65 2HD ARG 65 10.632 4.079 -0.317 461 HE ARG 65 HE ARG 65 8.862 6.214 -1.031 462 HH11 ARG 65 1HH1 ARG 65 10.825 5.311 1.904 463 HH12 ARG 65 2HH1 ARG 65 11.166 6.984 2.192 464 HH21 ARG 65 1HH2 ARG 65 9.494 8.400 -0.448 465 HH22 ARG 65 2HH2 ARG 65 10.439 8.599 1.017 466 H ASP 66 H ASP 66 6.222 5.157 -5.053 467 HA ASP 66 HA ASP 66 7.608 7.709 -4.588 468 HB2 ASP 66 1HB ASP 66 6.613 6.278 -6.894 469 HB3 ASP 66 2HB ASP 66 5.867 7.880 -6.859 470 H GLY 67 H GLY 67 6.726 9.210 -3.303 471 HA2 GLY 67 1HA GLY 67 5.210 11.017 -3.310 472 HA3 GLY 67 2HA GLY 67 3.888 9.957 -3.784 473 H ALA 68 H ALA 68 5.266 8.144 -1.541 474 HA ALA 68 HA ALA 68 4.569 9.640 0.904 475 HB1 ALA 68 1HB ALA 68 2.620 8.195 0.509 476 HB2 ALA 68 2HB ALA 68 3.694 6.770 0.375 477 HB3 ALA 68 3HB ALA 68 3.537 7.637 1.918 478 H ASP 69 H ASP 69 5.466 8.032 2.846 479 HA ASP 69 HA ASP 69 8.089 6.954 2.039 480 HB2 ASP 69 1HB ASP 69 8.237 9.416 2.510 481 HB3 ASP 69 2HB ASP 69 7.605 9.094 4.127 482 H PHE 70 H PHE 70 7.336 4.884 2.525 483 HA PHE 70 HA PHE 70 6.707 4.416 5.397 484 HB2 PHE 70 1HB PHE 70 4.942 2.814 4.675 485 HB3 PHE 70 2HB PHE 70 4.578 4.474 4.247 486 HD1 PHE 70 2HD PHE 70 5.967 1.256 2.827 487 HD2 PHE 70 1HD PHE 70 4.038 5.038 2.035 488 HE1 PHE 70 2HE PHE 70 5.604 0.584 0.514 489 HE2 PHE 70 1HE PHE 70 3.615 4.329 -0.289 490 HZ PHE 70 HZ PHE 70 4.378 2.089 -1.070 491 H LEU 71 H LEU 71 6.743 2.165 5.974 492 HA LEU 71 HA LEU 71 9.068 0.698 4.796 493 HB2 LEU 71 1HB LEU 71 7.607 0.508 7.465 494 HB3 LEU 71 2HB LEU 71 8.797 -0.681 6.945 495 HG LEU 71 HG LEU 71 9.416 2.282 7.232 496 HD11 LEU 71 1HD1 LEU 71 8.801 1.308 9.371 497 HD12 LEU 71 2HD1 LEU 71 10.528 1.623 9.317 498 HD13 LEU 71 3HD1 LEU 71 9.927 -0.049 9.087 499 HD21 LEU 71 3HD2 LEU 71 11.788 1.417 7.296 500 HD22 LEU 71 1HD2 LEU 71 10.998 1.195 5.743 501 HD23 LEU 71 2HD2 LEU 71 11.182 -0.188 6.862 502 H ILE 72 H ILE 72 8.846 -1.604 4.606 503 HA ILE 72 HA ILE 72 6.125 -2.409 3.683 504 HB ILE 72 HB ILE 72 8.871 -2.987 2.565 505 HG12 ILE 72 1HG1 ILE 72 6.470 -1.466 1.407 506 HG13 ILE 72 2HG1 ILE 72 7.865 -0.665 2.111 507 HG21 ILE 72 1HG2 ILE 72 6.113 -3.986 1.752 508 HG22 ILE 72 2HG2 ILE 72 7.550 -4.168 0.733 509 HG23 ILE 72 3HG2 ILE 72 7.501 -4.965 2.289 510 HD11 ILE 72 3HD1 ILE 72 9.330 -1.408 0.331 511 HD12 ILE 72 1HD1 ILE 72 8.035 -2.384 -0.375 512 HD13 ILE 72 2HD1 ILE 72 7.894 -0.627 -0.337 513 H CYS 73 H CYS 73 5.508 -3.443 5.595 514 HA CYS 73 HA CYS 73 7.303 -5.395 6.780 515 HB2 CYS 73 1HB CYS 73 4.438 -4.631 7.443 516 HB3 CYS 73 2HB CYS 73 5.378 -5.824 8.350 517 HG CYS 73 HG CYS 73 6.954 -4.396 9.501 518 H VAL 74 H VAL 74 6.744 -7.652 6.987 519 HA VAL 74 HA VAL 74 4.900 -8.830 4.973 520 HB VAL 74 HB VAL 74 6.954 -10.387 4.533 521 HG11 VAL 74 1HG1 VAL 74 7.678 -9.022 2.630 522 HG12 VAL 74 2HG1 VAL 74 5.934 -9.097 2.797 523 HG13 VAL 74 3HG1 VAL 74 6.794 -7.619 3.293 524 HG21 VAL 74 3HG2 VAL 74 8.483 -7.877 5.332 525 HG22 VAL 74 1HG2 VAL 74 8.416 -9.405 6.256 526 HG23 VAL 74 2HG2 VAL 74 9.167 -9.350 4.662 527 HA PRO 75 HA PRO 75 4.392 -11.728 8.211 528 HB2 PRO 75 1HB PRO 75 4.098 -14.198 6.972 529 HB3 PRO 75 2HB PRO 75 2.829 -12.942 7.043 530 HG2 PRO 75 1HG PRO 75 4.725 -13.575 4.798 531 HG3 PRO 75 2HG PRO 75 2.992 -13.135 4.702 532 HD2 PRO 75 1HD PRO 75 5.007 -11.339 4.222 533 HD3 PRO 75 2HD PRO 75 3.473 -10.846 4.981 534 H GLU 76 H GLU 76 5.662 -12.883 9.528 535 HA GLU 76 HA GLU 76 8.450 -12.847 9.258 536 HB2 GLU 76 1HB GLU 76 8.500 -14.164 11.310 537 HB3 GLU 76 2HB GLU 76 7.211 -12.981 11.383 538 HG2 GLU 76 1HG GLU 76 5.638 -14.915 10.605 539 HG3 GLU 76 2HG GLU 76 6.997 -15.984 10.932 540 H GLU 77 H GLU 77 6.250 -15.438 8.325 541 HA GLU 77 HA GLU 77 8.110 -17.510 7.974 542 HB2 GLU 77 1HB GLU 77 5.526 -17.370 8.210 543 HB3 GLU 77 2HB GLU 77 5.469 -17.042 6.477 544 HG2 GLU 77 1HG GLU 77 7.019 -19.428 7.447 545 HG3 GLU 77 2HG GLU 77 5.278 -19.472 7.617 546 H ALA 78 H ALA 78 6.906 -14.998 5.757 547 HA ALA 78 HA ALA 78 8.414 -16.036 3.413 548 HB1 ALA 78 1HB ALA 78 6.070 -15.113 3.247 549 HB2 ALA 78 2HB ALA 78 6.726 -13.507 3.679 550 HB3 ALA 78 3HB ALA 78 7.252 -14.330 2.189 551 H LEU 79 H LEU 79 9.315 -14.299 6.114 552 HA LEU 79 HA LEU 79 10.186 -11.859 5.227 553 HB2 LEU 79 1HB LEU 79 10.014 -12.533 7.553 554 HB3 LEU 79 2HB LEU 79 11.390 -13.619 7.373 555 HG LEU 79 HG LEU 79 12.818 -11.633 6.814 556 HD11 LEU 79 1HD1 LEU 79 11.141 -10.011 6.041 557 HD12 LEU 79 2HD1 LEU 79 11.998 -9.355 7.438 558 HD13 LEU 79 3HD1 LEU 79 10.361 -10.020 7.636 559 HD21 LEU 79 3HD2 LEU 79 12.842 -12.512 9.065 560 HD22 LEU 79 1HD2 LEU 79 11.333 -11.671 9.478 561 HD23 LEU 79 2HD2 LEU 79 12.814 -10.746 9.202 562 H ASP 80 H ASP 80 12.119 -14.832 5.232 563 HA ASP 80 HA ASP 80 14.584 -13.691 4.195 564 HB2 ASP 80 1HB ASP 80 14.386 -16.001 5.253 565 HB3 ASP 80 2HB ASP 80 13.567 -16.521 3.780 566 H ARG 81 H ARG 81 11.744 -15.262 2.654 567 HA ARG 81 HA ARG 81 12.664 -15.756 0.137 568 HB2 ARG 81 1HB ARG 81 9.926 -14.641 0.863 569 HB3 ARG 81 2HB ARG 81 10.380 -15.513 -0.514 570 HG2 ARG 81 1HG ARG 81 10.782 -17.120 1.905 571 HG3 ARG 81 2HG ARG 81 9.157 -16.475 1.613 572 HD2 ARG 81 1HD ARG 81 8.769 -18.238 0.401 573 HD3 ARG 81 2HD ARG 81 9.579 -17.344 -0.864 574 HE ARG 81 HE ARG 81 11.234 -19.103 0.845 575 HH11 ARG 81 1HH1 ARG 81 9.148 -18.916 -2.010 576 HH12 ARG 81 2HH1 ARG 81 9.854 -20.225 -2.856 577 HH21 ARG 81 1HH2 ARG 81 11.965 -21.001 -0.015 578 HH22 ARG 81 2HH2 ARG 81 11.577 -21.514 -1.635 579 H TYR 82 H TYR 82 11.107 -12.687 1.257 580 HA TYR 82 HA TYR 82 11.365 -11.451 -1.340 581 HB2 TYR 82 1HB TYR 82 10.860 -10.340 1.444 582 HB3 TYR 82 2HB TYR 82 11.037 -9.310 0.054 583 HD1 TYR 82 2HD TYR 82 9.013 -12.480 0.777 584 HD2 TYR 82 1HD TYR 82 9.091 -8.449 -0.810 585 HE1 TYR 82 2HE TYR 82 6.544 -12.480 0.650 586 HE2 TYR 82 1HE TYR 82 6.645 -8.475 -0.987 587 HH TYR 82 HH TYR 82 4.692 -9.639 -0.417 588 H ARG 83 H ARG 83 13.492 -11.531 1.651 589 HA ARG 83 HA ARG 83 15.277 -9.546 0.541 590 HB2 ARG 83 1HB ARG 83 15.224 -11.425 2.848 591 HB3 ARG 83 2HB ARG 83 16.815 -11.274 2.123 592 HG2 ARG 83 1HG ARG 83 16.558 -8.727 2.260 593 HG3 ARG 83 2HG ARG 83 15.089 -9.019 3.201 594 HD2 ARG 83 1HD ARG 83 16.788 -8.804 4.852 595 HD3 ARG 83 2HD ARG 83 16.563 -10.538 4.697 596 HE ARG 83 HE ARG 83 18.593 -9.594 2.883 597 HH11 ARG 83 1HH1 ARG 83 17.947 -10.651 6.184 598 HH12 ARG 83 2HH1 ARG 83 19.611 -10.913 6.594 599 HH21 ARG 83 1HH2 ARG 83 20.793 -10.094 3.364 600 HH22 ARG 83 2HH2 ARG 83 21.218 -10.796 4.906 601 H ARG 84 H ARG 84 14.676 -12.903 -0.315 602 HA ARG 84 HA ARG 84 17.254 -13.076 -1.650 603 HB2 ARG 84 1HB ARG 84 14.932 -15.022 -1.508 604 HB3 ARG 84 2HB ARG 84 16.424 -15.304 -2.387 605 HG2 ARG 84 1HG ARG 84 17.653 -14.779 -0.157 606 HG3 ARG 84 2HG ARG 84 16.085 -15.000 0.611 607 HD2 ARG 84 1HD ARG 84 15.854 -17.224 -0.214 608 HD3 ARG 84 2HD ARG 84 17.282 -17.068 -1.262 609 HE ARG 84 HE ARG 84 17.435 -16.901 1.701 610 HH11 ARG 84 1HH1 ARG 84 17.768 -19.153 -0.961 611 HH12 ARG 84 2HH1 ARG 84 19.063 -20.050 -0.230 612 HH21 ARG 84 1HH2 ARG 84 19.287 -17.919 2.579 613 HH22 ARG 84 2HH2 ARG 84 19.858 -19.415 1.884 614 H ASP 85 H ASP 85 14.302 -11.722 -2.715 615 HA ASP 85 HA ASP 85 14.604 -12.551 -5.512 616 HB2 ASP 85 1HB ASP 85 12.462 -11.539 -4.416 617 HB3 ASP 85 2HB ASP 85 13.231 -10.004 -4.664 618 H TYR 86 H TYR 86 16.007 -11.666 -6.996 619 HA TYR 86 HA TYR 86 18.025 -9.761 -6.560 620 HB2 TYR 86 1HB TYR 86 17.530 -11.400 -8.519 621 HB3 TYR 86 2HB TYR 86 16.523 -10.142 -9.182 622 HD1 TYR 86 1HD TYR 86 17.828 -7.698 -9.398 623 HD2 TYR 86 2HD TYR 86 19.679 -11.597 -9.276 624 HE1 TYR 86 1HE TYR 86 19.778 -6.832 -10.659 625 HE2 TYR 86 2HE TYR 86 21.587 -10.747 -10.561 626 HH TYR 86 HH TYR 86 22.214 -8.968 -12.001 627 H PHE 87 H PHE 87 14.607 -9.301 -7.525 628 HA PHE 87 HA PHE 87 14.799 -6.446 -7.945 629 HB2 PHE 87 1HB PHE 87 13.081 -7.777 -9.024 630 HB3 PHE 87 2HB PHE 87 12.479 -8.363 -7.485 631 HD1 PHE 87 2HD PHE 87 13.336 -4.818 -8.518 632 HD2 PHE 87 1HD PHE 87 10.247 -7.620 -7.365 633 HE1 PHE 87 2HE PHE 87 11.670 -3.013 -8.567 634 HE2 PHE 87 1HE PHE 87 8.588 -5.796 -7.428 635 HZ PHE 87 HZ PHE 87 9.316 -3.462 -8.041 636 H TRP 88 H TRP 88 12.887 -8.162 -5.421 637 HA TRP 88 HA TRP 88 12.560 -5.920 -3.840 638 HB2 TRP 88 1HB TRP 88 12.463 -8.838 -3.035 639 HB3 TRP 88 2HB TRP 88 11.958 -7.528 -2.004 640 HD1 TRP 88 HD TRP 88 10.693 -9.632 -4.904 641 HE1 TRP 88 1HE TRP 88 8.256 -8.991 -5.442 642 HE3 TRP 88 3HE TRP 88 10.279 -5.458 -1.989 643 HZ2 TRP 88 2HZ TRP 88 6.447 -6.916 -4.780 644 HZ3 TRP 88 3HZ TRP 88 8.140 -4.230 -1.869 645 HH2 TRP 88 HH TRP 88 6.192 -4.946 -3.259 646 H GLN 89 H GLN 89 15.437 -8.046 -3.818 647 HA GLN 89 HA GLN 89 16.745 -7.305 -1.569 648 HB2 GLN 89 1HB GLN 89 17.538 -7.732 -4.441 649 HB3 GLN 89 2HB GLN 89 18.737 -6.991 -3.387 650 HG2 GLN 89 1HG GLN 89 18.503 -8.783 -1.787 651 HG3 GLN 89 2HG GLN 89 17.313 -9.610 -2.761 652 HE21 GLN 89 1HE2 GLN 89 19.862 -8.123 -4.609 653 HE22 GLN 89 2HE2 GLN 89 21.008 -9.453 -4.593 654 H THR 90 H THR 90 16.465 -5.117 -4.400 655 HA THR 90 HA THR 90 18.295 -3.218 -3.271 656 HB THR 90 HB THR 90 17.582 -3.362 -5.674 657 HG1 THR 90 1HG THR 90 17.796 -1.156 -5.981 658 HG21 THR 90 3HG2 THR 90 15.094 -3.344 -5.162 659 HG22 THR 90 1HG2 THR 90 15.625 -2.257 -6.446 660 HG23 THR 90 2HG2 THR 90 15.238 -1.600 -4.846 661 H TYR 91 H TYR 91 14.736 -3.515 -2.989 662 HA TYR 91 HA TYR 91 14.548 -1.244 -1.224 663 HB2 TYR 91 1HB TYR 91 12.495 -3.357 -1.973 664 HB3 TYR 91 2HB TYR 91 12.191 -1.991 -0.940 665 HD1 TYR 91 2HD TYR 91 12.043 0.288 -1.703 666 HD2 TYR 91 1HD TYR 91 12.714 -2.959 -4.490 667 HE1 TYR 91 2HE TYR 91 11.139 1.674 -3.519 668 HE2 TYR 91 1HE TYR 91 11.824 -1.578 -6.311 669 HH TYR 91 HH TYR 91 10.846 0.440 -6.907 670 H ALA 92 H ALA 92 16.143 -3.986 -0.493 671 HA ALA 92 HA ALA 92 14.672 -5.087 1.662 672 HB1 ALA 92 1HB ALA 92 16.775 -6.189 2.302 673 HB2 ALA 92 2HB ALA 92 16.457 -6.342 0.566 674 HB3 ALA 92 3HB ALA 92 17.656 -5.154 1.150 675 H ALA 93 H ALA 93 16.507 -2.179 1.455 676 HA ALA 93 HA ALA 93 17.254 -1.904 4.125 677 HB1 ALA 93 1HB ALA 93 18.115 -0.420 2.423 678 HB2 ALA 93 2HB ALA 93 16.488 0.209 2.069 679 HB3 ALA 93 3HB ALA 93 17.258 0.568 3.621 680 H TRP 94 H TRP 94 14.021 -1.931 2.821 681 HA TRP 94 HA TRP 94 12.963 -0.418 5.159 682 HB2 TRP 94 1HB TRP 94 11.945 -0.460 2.318 683 HB3 TRP 94 2HB TRP 94 11.205 0.383 3.657 684 HD1 TRP 94 HD TRP 94 12.717 2.426 4.764 685 HE1 TRP 94 1HE TRP 94 14.400 4.000 3.753 686 HE3 TRP 94 3HE TRP 94 13.613 -0.117 0.447 687 HZ2 TRP 94 2HZ TRP 94 16.193 4.022 1.406 688 HZ3 TRP 94 3HZ TRP 94 15.329 0.747 -1.215 689 HH2 TRP 94 HH TRP 94 16.599 2.792 -0.706 690 H ILE 95 H ILE 95 13.366 -3.500 4.333 691 HA ILE 95 HA ILE 95 10.636 -4.475 4.680 692 HB ILE 95 HB ILE 95 13.314 -5.887 4.379 693 HG12 ILE 95 1HG1 ILE 95 10.940 -5.544 2.521 694 HG13 ILE 95 2HG1 ILE 95 12.426 -4.618 2.394 695 HG21 ILE 95 1HG2 ILE 95 12.001 -7.972 3.992 696 HG22 ILE 95 2HG2 ILE 95 11.779 -7.377 5.631 697 HG23 ILE 95 3HG2 ILE 95 10.514 -7.101 4.407 698 HD11 ILE 95 3HD1 ILE 95 12.707 -6.164 0.747 699 HD12 ILE 95 1HD1 ILE 95 13.633 -6.877 2.087 700 HD13 ILE 95 2HD1 ILE 95 12.016 -7.510 1.692 701 H GLN 96 H GLN 96 9.870 -5.492 6.570 702 HA GLN 96 HA GLN 96 11.647 -6.481 8.583 703 HB2 GLN 96 1HB GLN 96 10.197 -5.144 10.392 704 HB3 GLN 96 2HB GLN 96 11.733 -4.555 9.754 705 HG2 GLN 96 1HG GLN 96 10.373 -3.128 8.144 706 HG3 GLN 96 2HG GLN 96 8.931 -3.655 9.008 707 HE21 GLN 96 1HE2 GLN 96 12.177 -2.184 9.496 708 HE22 GLN 96 2HE2 GLN 96 11.656 -1.068 10.752 709 HA PRO 97 HA PRO 97 8.137 -9.166 9.017 710 HB2 PRO 97 1HB PRO 97 7.993 -9.817 11.701 711 HB3 PRO 97 2HB PRO 97 9.204 -10.467 10.558 712 HG2 PRO 97 1HG PRO 97 9.497 -8.166 12.498 713 HG3 PRO 97 2HG PRO 97 10.645 -9.499 12.178 714 HD2 PRO 97 1HD PRO 97 10.945 -7.029 11.033 715 HD3 PRO 97 2HD PRO 97 11.366 -8.526 10.151 716 H MET 98 H MET 98 5.971 -9.346 9.785 717 HA MET 98 HA MET 98 4.594 -6.857 10.287 718 HB2 MET 98 1HB MET 98 2.626 -8.080 9.735 719 HB3 MET 98 2HB MET 98 3.896 -8.667 8.679 720 HG2 MET 98 1HG MET 98 4.129 -10.658 9.888 721 HG3 MET 98 2HG MET 98 3.105 -10.101 11.203 722 HE1 MET 98 3HE MET 98 1.488 -9.174 7.726 723 HE2 MET 98 1HE MET 98 2.720 -10.345 7.218 724 HE3 MET 98 2HE MET 98 0.993 -10.760 7.122 725 H GLU 99 H GLU 99 2.470 -7.294 11.869 726 HA GLU 99 HA GLU 99 3.244 -8.510 14.409 727 HB2 GLU 99 1HB GLU 99 2.060 -6.647 15.525 728 HB3 GLU 99 2HB GLU 99 3.601 -6.258 14.817 729 HG2 GLU 99 1HG GLU 99 2.500 -5.175 12.905 730 HG3 GLU 99 2HG GLU 99 0.914 -5.580 13.612 731 H GLN 100 H GLN 100 0.723 -8.174 15.607 732 HA GLN 100 HA GLN 100 -1.085 -9.637 13.746 733 HB2 GLN 100 1HB GLN 100 -0.064 -11.015 15.675 734 HB3 GLN 100 2HB GLN 100 -1.022 -9.988 16.754 735 HG2 GLN 100 1HG GLN 100 -3.098 -10.715 15.546 736 HG3 GLN 100 2HG GLN 100 -2.101 -11.738 14.504 737 HE21 GLN 100 1HE2 GLN 100 -3.364 -13.616 15.276 738 HE22 GLN 100 2HE2 GLN 100 -3.174 -14.221 16.909 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -22.203 12.075 -5.950 2 HA2 GLY 1 1HA GLY 1 -23.152 10.461 -8.257 3 HA3 GLY 1 2HA GLY 1 -21.524 10.353 -7.544 4 H SER 2 H SER 2 -21.434 8.462 -6.484 5 HA SER 2 HA SER 2 -23.701 7.405 -4.973 6 HB2 SER 2 1HB SER 2 -21.535 6.269 -6.296 7 HB3 SER 2 2HB SER 2 -21.039 6.127 -4.613 8 HG SER 2 HG SER 2 -22.952 4.953 -4.192 9 H HIS 3 H HIS 3 -22.530 6.350 -2.767 10 HA HIS 3 HA HIS 3 -21.132 8.334 -1.137 11 HB2 HIS 3 1HB HIS 3 -23.503 8.797 -0.682 12 HB3 HIS 3 2HB HIS 3 -23.857 7.075 -0.545 13 HD1 HIS 3 1HD HIS 3 -24.433 6.709 1.979 14 HD2 HIS 3 2HD HIS 3 -21.023 9.098 1.242 15 HE1 HIS 3 1HE HIS 3 -23.401 7.215 4.230 16 H GLU 4 H GLU 4 -19.414 6.834 -1.692 17 HA GLU 4 HA GLU 4 -19.167 4.737 0.212 18 HB2 GLU 4 1HB GLU 4 -20.536 3.797 -1.986 19 HB3 GLU 4 2HB GLU 4 -18.881 3.569 -2.534 20 HG2 GLU 4 1HG GLU 4 -18.457 2.426 -0.256 21 HG3 GLU 4 2HG GLU 4 -20.209 2.505 -0.013 22 H GLY 5 H GLY 5 -16.920 3.732 0.033 23 HA2 GLY 5 1HA GLY 5 -15.029 3.276 -1.370 24 HA3 GLY 5 2HA GLY 5 -15.202 4.842 -2.136 25 H GLU 6 H GLU 6 -14.270 3.169 0.786 26 HA GLU 6 HA GLU 6 -12.731 5.427 1.847 27 HB2 GLU 6 1HB GLU 6 -11.743 3.303 3.160 28 HB3 GLU 6 2HB GLU 6 -13.072 4.251 3.708 29 HG2 GLU 6 1HG GLU 6 -13.423 1.720 2.062 30 HG3 GLU 6 2HG GLU 6 -13.297 1.716 3.829 31 HA PRO 7 HA PRO 7 -9.199 4.581 -0.722 32 HB2 PRO 7 1HB PRO 7 -7.059 5.241 0.820 33 HB3 PRO 7 2HB PRO 7 -8.307 6.454 0.399 34 HG2 PRO 7 1HG PRO 7 -8.254 4.701 2.900 35 HG3 PRO 7 2HG PRO 7 -8.257 6.459 2.894 36 HD2 PRO 7 1HD PRO 7 -10.544 5.156 3.127 37 HD3 PRO 7 2HD PRO 7 -10.480 6.498 1.949 38 H VAL 8 H VAL 8 -9.921 2.178 -0.581 39 HA VAL 8 HA VAL 8 -7.810 0.556 0.802 40 HB VAL 8 HB VAL 8 -10.786 -0.074 0.810 41 HG11 VAL 8 1HG1 VAL 8 -10.146 -1.762 2.491 42 HG12 VAL 8 2HG1 VAL 8 -9.309 -2.082 0.992 43 HG13 VAL 8 3HG1 VAL 8 -8.437 -1.301 2.335 44 HG21 VAL 8 3HG2 VAL 8 -10.722 0.422 3.227 45 HG22 VAL 8 1HG2 VAL 8 -9.044 0.999 3.074 46 HG23 VAL 8 2HG2 VAL 8 -10.373 1.862 2.272 47 H VAL 9 H VAL 9 -7.250 -1.363 -0.123 48 HA VAL 9 HA VAL 9 -7.536 -1.495 -2.984 49 HB VAL 9 HB VAL 9 -5.499 -2.074 -1.715 50 HG11 VAL 9 1HG1 VAL 9 -6.602 -4.720 -0.819 51 HG12 VAL 9 2HG1 VAL 9 -5.093 -3.873 -0.399 52 HG13 VAL 9 3HG1 VAL 9 -6.623 -3.283 0.208 53 HG21 VAL 9 3HG2 VAL 9 -4.844 -4.025 -3.007 54 HG22 VAL 9 1HG2 VAL 9 -6.544 -4.364 -3.391 55 HG23 VAL 9 2HG2 VAL 9 -5.801 -2.883 -3.992 56 H GLY 10 H GLY 10 -9.020 -2.543 -4.193 57 HA2 GLY 10 1HA GLY 10 -10.254 -5.053 -3.249 58 HA3 GLY 10 2HA GLY 10 -11.346 -3.754 -3.558 59 H MET 11 H MET 11 -8.895 -5.811 -4.977 60 HA MET 11 HA MET 11 -8.159 -6.218 -7.091 61 HB2 MET 11 1HB MET 11 -11.128 -6.070 -7.692 62 HB3 MET 11 2HB MET 11 -9.892 -6.876 -8.659 63 HG2 MET 11 1HG MET 11 -10.790 -8.646 -7.581 64 HG3 MET 11 2HG MET 11 -9.434 -8.285 -6.529 65 HE1 MET 11 3HE MET 11 -9.963 -7.338 -3.773 66 HE2 MET 11 1HE MET 11 -11.075 -8.617 -3.287 67 HE3 MET 11 2HE MET 11 -9.770 -8.983 -4.419 68 H ASP 12 H ASP 12 -8.219 -3.313 -6.402 69 HA ASP 12 HA ASP 12 -8.180 -2.206 -9.135 70 HB2 ASP 12 1HB ASP 12 -10.481 -1.855 -7.954 71 HB3 ASP 12 2HB ASP 12 -9.622 -0.769 -6.870 72 H LYS 13 H LYS 13 -6.193 -1.218 -9.298 73 HA LYS 13 HA LYS 13 -5.238 0.317 -6.975 74 HB2 LYS 13 1HB LYS 13 -3.625 -0.666 -9.334 75 HB3 LYS 13 2HB LYS 13 -3.034 0.240 -7.939 76 HG2 LYS 13 1HG LYS 13 -4.168 -2.609 -7.885 77 HG3 LYS 13 2HG LYS 13 -2.490 -2.086 -7.785 78 HD2 LYS 13 1HD LYS 13 -2.882 -0.931 -5.682 79 HD3 LYS 13 2HD LYS 13 -4.584 -1.372 -5.717 80 HE2 LYS 13 1HE LYS 13 -3.270 -2.760 -4.186 81 HE3 LYS 13 2HE LYS 13 -4.099 -3.676 -5.438 82 HZ1 LYS 13 3HZ LYS 13 -1.833 -4.418 -5.097 83 HZ2 LYS 13 1HZ LYS 13 -1.240 -2.942 -5.542 84 HZ3 LYS 13 2HZ LYS 13 -2.054 -3.904 -6.621 85 H SER 14 H SER 14 -6.681 1.972 -7.305 86 HA SER 14 HA SER 14 -5.704 4.018 -9.092 87 HB2 SER 14 1HB SER 14 -7.503 2.416 -10.309 88 HB3 SER 14 2HB SER 14 -8.646 3.441 -9.437 89 HG SER 14 HG SER 14 -6.550 4.174 -11.229 90 H LEU 15 H LEU 15 -6.216 3.398 -6.070 91 HA LEU 15 HA LEU 15 -7.704 5.784 -5.313 92 HB2 LEU 15 1HB LEU 15 -9.248 4.436 -3.875 93 HB3 LEU 15 2HB LEU 15 -9.633 4.623 -5.562 94 HG LEU 15 HG LEU 15 -8.173 2.121 -4.619 95 HD11 LEU 15 1HD1 LEU 15 -10.127 2.325 -3.161 96 HD12 LEU 15 2HD1 LEU 15 -10.337 1.008 -4.329 97 HD13 LEU 15 3HD1 LEU 15 -11.185 2.552 -4.584 98 HD21 LEU 15 3HD2 LEU 15 -10.208 1.635 -6.609 99 HD22 LEU 15 1HD2 LEU 15 -8.454 1.534 -6.781 100 HD23 LEU 15 2HD2 LEU 15 -9.321 3.055 -7.127 101 H PHE 16 H PHE 16 -5.242 5.884 -4.613 102 HA PHE 16 HA PHE 16 -5.215 5.060 -1.771 103 HB2 PHE 16 1HB PHE 16 -2.843 4.432 -3.555 104 HB3 PHE 16 2HB PHE 16 -2.902 4.276 -1.816 105 HD1 PHE 16 2HD PHE 16 -4.446 3.061 -4.986 106 HD2 PHE 16 1HD PHE 16 -3.754 2.373 -0.809 107 HE1 PHE 16 2HE PHE 16 -5.606 0.851 -5.136 108 HE2 PHE 16 1HE PHE 16 -4.670 0.050 -1.035 109 HZ PHE 16 HZ PHE 16 -5.610 -0.657 -3.276 110 H ALA 17 H ALA 17 -4.488 7.555 -4.030 111 HA ALA 17 HA ALA 17 -2.846 8.937 -1.979 112 HB1 ALA 17 1HB ALA 17 -2.943 9.262 -5.002 113 HB2 ALA 17 2HB ALA 17 -2.071 10.360 -3.922 114 HB3 ALA 17 3HB ALA 17 -1.578 8.667 -4.038 115 H GLY 18 H GLY 18 -5.749 8.650 -2.211 116 HA2 GLY 18 1HA GLY 18 -6.589 11.479 -2.699 117 HA3 GLY 18 2HA GLY 18 -7.594 10.052 -2.941 118 H ASN 19 H ASN 19 -6.321 9.202 -0.018 119 HA ASN 19 HA ASN 19 -7.743 11.276 1.587 120 HB2 ASN 19 1HB ASN 19 -9.220 9.275 1.417 121 HB3 ASN 19 2HB ASN 19 -7.898 8.267 1.981 122 HD21 ASN 19 1HD2 ASN 19 -7.965 7.896 4.204 123 HD22 ASN 19 2HD2 ASN 19 -8.738 8.957 5.366 124 H THR 20 H THR 20 -5.960 12.165 2.670 125 HA THR 20 HA THR 20 -3.530 10.725 2.882 126 HB THR 20 HB THR 20 -2.818 12.862 4.000 127 HG1 THR 20 1HG THR 20 -4.712 14.479 3.650 128 HG21 THR 20 3HG2 THR 20 -4.477 13.348 1.495 129 HG22 THR 20 1HG2 THR 20 -2.925 12.504 1.477 130 HG23 THR 20 2HG2 THR 20 -2.997 14.190 2.002 131 H VAL 21 H VAL 21 -5.878 9.828 4.659 132 HA VAL 21 HA VAL 21 -4.721 10.068 7.392 133 HB VAL 21 HB VAL 21 -7.695 10.165 6.816 134 HG11 VAL 21 1HG1 VAL 21 -7.809 11.281 8.998 135 HG12 VAL 21 2HG1 VAL 21 -6.970 9.743 9.184 136 HG13 VAL 21 3HG1 VAL 21 -6.040 11.253 9.144 137 HG21 VAL 21 3HG2 VAL 21 -5.826 12.563 6.924 138 HG22 VAL 21 1HG2 VAL 21 -6.870 12.074 5.573 139 HG23 VAL 21 2HG2 VAL 21 -7.593 12.638 7.067 140 H ILE 22 H ILE 22 -4.209 7.963 5.709 141 HA ILE 22 HA ILE 22 -5.390 5.631 7.107 142 HB ILE 22 HB ILE 22 -6.418 5.476 5.114 143 HG12 ILE 22 1HG1 ILE 22 -3.926 3.796 4.723 144 HG13 ILE 22 2HG1 ILE 22 -5.344 3.391 5.700 145 HG21 ILE 22 1HG2 ILE 22 -4.909 7.250 3.882 146 HG22 ILE 22 2HG2 ILE 22 -4.034 5.852 3.290 147 HG23 ILE 22 3HG2 ILE 22 -5.773 6.072 2.941 148 HD11 ILE 22 3HD1 ILE 22 -5.454 2.257 3.528 149 HD12 ILE 22 1HD1 ILE 22 -6.755 3.446 3.698 150 HD13 ILE 22 2HD1 ILE 22 -5.361 3.815 2.672 151 H ARG 23 H ARG 23 -3.847 5.207 8.479 152 HA ARG 23 HA ARG 23 -1.074 6.012 7.973 153 HB2 ARG 23 1HB ARG 23 -2.355 4.779 10.438 154 HB3 ARG 23 2HB ARG 23 -0.706 5.420 10.316 155 HG2 ARG 23 1HG ARG 23 -1.611 7.668 9.761 156 HG3 ARG 23 2HG ARG 23 -3.258 7.041 9.959 157 HD2 ARG 23 1HD ARG 23 -2.578 6.351 12.311 158 HD3 ARG 23 2HD ARG 23 -1.104 7.305 12.080 159 HE ARG 23 HE ARG 23 -2.814 9.186 11.459 160 HH11 ARG 23 1HH1 ARG 23 -2.835 7.100 14.264 161 HH12 ARG 23 2HH1 ARG 23 -4.157 7.909 15.065 162 HH21 ARG 23 1HH2 ARG 23 -4.588 10.339 12.557 163 HH22 ARG 23 2HH2 ARG 23 -5.251 9.650 13.984 164 H GLU 24 H GLU 24 -2.908 3.242 7.391 165 HA GLU 24 HA GLU 24 -0.571 1.465 7.230 166 HB2 GLU 24 1HB GLU 24 -3.109 0.803 8.821 167 HB3 GLU 24 2HB GLU 24 -1.905 -0.364 8.281 168 HG2 GLU 24 1HG GLU 24 -0.295 1.374 9.648 169 HG3 GLU 24 2HG GLU 24 -1.795 1.565 10.544 170 H ILE 25 H ILE 25 -0.695 0.697 5.194 171 HA ILE 25 HA ILE 25 -3.377 0.258 3.966 172 HB ILE 25 HB ILE 25 -0.746 0.793 2.589 173 HG12 ILE 25 1HG1 ILE 25 -3.261 2.498 2.709 174 HG13 ILE 25 2HG1 ILE 25 -1.861 2.740 3.749 175 HG21 ILE 25 1HG2 ILE 25 -2.079 0.750 0.495 176 HG22 ILE 25 2HG2 ILE 25 -2.271 -0.795 1.318 177 HG23 ILE 25 3HG2 ILE 25 -3.560 0.405 1.413 178 HD11 ILE 25 3HD1 ILE 25 -0.452 3.093 1.682 179 HD12 ILE 25 1HD1 ILE 25 -1.971 3.086 0.747 180 HD13 ILE 25 2HD1 ILE 25 -1.706 4.320 1.979 181 H THR 26 H THR 26 -3.890 -1.783 4.455 182 HA THR 26 HA THR 26 -1.910 -3.957 4.314 183 HB THR 26 HB THR 26 -4.947 -4.139 4.426 184 HG1 THR 26 1HG THR 26 -4.797 -3.936 6.541 185 HG21 THR 26 3HG2 THR 26 -4.479 -6.383 5.400 186 HG22 THR 26 1HG2 THR 26 -2.734 -6.127 5.153 187 HG23 THR 26 2HG2 THR 26 -3.826 -6.256 3.759 188 H VAL 27 H VAL 27 -1.634 -5.317 2.512 189 HA VAL 27 HA VAL 27 -3.343 -5.073 0.151 190 HB VAL 27 HB VAL 27 -0.326 -5.242 -0.148 191 HG11 VAL 27 1HG1 VAL 27 -0.789 -4.325 -2.414 192 HG12 VAL 27 2HG1 VAL 27 -1.576 -5.866 -2.120 193 HG13 VAL 27 3HG1 VAL 27 -2.530 -4.362 -2.047 194 HG21 VAL 27 3HG2 VAL 27 -1.876 -2.640 -0.162 195 HG22 VAL 27 1HG2 VAL 27 -0.578 -3.105 0.958 196 HG23 VAL 27 2HG2 VAL 27 -0.200 -2.867 -0.744 197 H GLN 28 H GLN 28 -3.025 -7.106 -1.202 198 HA GLN 28 HA GLN 28 -1.955 -9.359 0.331 199 HB2 GLN 28 1HB GLN 28 -4.140 -10.557 -0.200 200 HB3 GLN 28 2HB GLN 28 -4.156 -9.311 1.031 201 HG2 GLN 28 1HG GLN 28 -5.236 -7.747 -0.549 202 HG3 GLN 28 2HG GLN 28 -5.174 -9.003 -1.808 203 HE21 GLN 28 1HE2 GLN 28 -6.215 -8.580 1.621 204 HE22 GLN 28 2HE2 GLN 28 -7.637 -9.590 1.527 205 HA PRO 29 HA PRO 29 -0.104 -10.581 -3.221 206 HB2 PRO 29 1HB PRO 29 -0.404 -13.334 -3.462 207 HB3 PRO 29 2HB PRO 29 0.649 -12.515 -2.275 208 HG2 PRO 29 1HG PRO 29 -2.107 -13.660 -1.887 209 HG3 PRO 29 2HG PRO 29 -0.703 -13.704 -0.767 210 HD2 PRO 29 1HD PRO 29 -2.740 -11.983 -0.457 211 HD3 PRO 29 2HD PRO 29 -1.077 -11.538 -0.016 212 H ASN 30 H ASN 30 -0.319 -10.836 -5.390 213 HA ASN 30 HA ASN 30 -1.265 -10.527 -7.367 214 HB2 ASN 30 1HB ASN 30 -3.068 -12.825 -6.692 215 HB3 ASN 30 2HB ASN 30 -2.497 -12.330 -8.273 216 HD21 ASN 30 1HD2 ASN 30 -1.812 -14.264 -5.500 217 HD22 ASN 30 2HD2 ASN 30 -0.228 -14.841 -5.977 218 H ILE 31 H ILE 31 -2.078 -8.454 -6.356 219 HA ILE 31 HA ILE 31 -5.003 -8.213 -6.726 220 HB ILE 31 HB ILE 31 -4.488 -8.552 -4.340 221 HG12 ILE 31 1HG1 ILE 31 -5.831 -6.593 -3.480 222 HG13 ILE 31 2HG1 ILE 31 -5.885 -5.966 -5.135 223 HG21 ILE 31 1HG2 ILE 31 -3.479 -6.953 -2.997 224 HG22 ILE 31 2HG2 ILE 31 -2.392 -7.113 -4.398 225 HG23 ILE 31 3HG2 ILE 31 -3.485 -5.712 -4.284 226 HD11 ILE 31 3HD1 ILE 31 -7.031 -8.074 -5.834 227 HD12 ILE 31 1HD1 ILE 31 -6.972 -8.620 -4.138 228 HD13 ILE 31 2HD1 ILE 31 -7.916 -7.177 -4.589 229 H GLY 32 H GLY 32 -3.094 -7.661 -8.655 230 HA2 GLY 32 1HA GLY 32 -3.018 -6.072 -10.318 231 HA3 GLY 32 2HA GLY 32 -3.817 -4.913 -9.257 232 H LEU 33 H LEU 33 -1.786 -4.196 -10.934 233 HA LEU 33 HA LEU 33 0.902 -4.423 -9.993 234 HB2 LEU 33 1HB LEU 33 0.447 -4.225 -12.309 235 HB3 LEU 33 2HB LEU 33 -0.504 -2.751 -12.067 236 HG LEU 33 HG LEU 33 1.498 -1.459 -11.606 237 HD11 LEU 33 1HD1 LEU 33 3.750 -2.381 -11.972 238 HD12 LEU 33 2HD1 LEU 33 3.082 -4.015 -12.152 239 HD13 LEU 33 3HD1 LEU 33 2.992 -3.158 -10.582 240 HD21 LEU 33 3HD2 LEU 33 0.667 -1.771 -13.917 241 HD22 LEU 33 1HD2 LEU 33 1.693 -3.201 -14.106 242 HD23 LEU 33 2HD2 LEU 33 2.421 -1.594 -13.904 243 H LEU 34 H LEU 34 1.989 -3.291 -8.589 244 HA LEU 34 HA LEU 34 0.810 -0.859 -7.374 245 HB2 LEU 34 1HB LEU 34 3.416 -2.279 -6.742 246 HB3 LEU 34 2HB LEU 34 2.784 -0.901 -5.881 247 HG LEU 34 HG LEU 34 1.115 -3.448 -6.097 248 HD11 LEU 34 1HD1 LEU 34 3.269 -4.180 -5.247 249 HD12 LEU 34 2HD1 LEU 34 2.079 -4.170 -3.933 250 HD13 LEU 34 3HD1 LEU 34 3.286 -2.868 -4.066 251 HD21 LEU 34 3HD2 LEU 34 0.239 -2.575 -3.904 252 HD22 LEU 34 1HD2 LEU 34 -0.019 -1.445 -5.256 253 HD23 LEU 34 2HD2 LEU 34 1.275 -1.143 -4.107 254 H TYR 35 H TYR 35 0.841 0.362 -9.396 255 HA TYR 35 HA TYR 35 3.319 0.922 -10.774 256 HB2 TYR 35 1HB TYR 35 2.004 2.618 -11.937 257 HB3 TYR 35 2HB TYR 35 1.196 1.052 -11.931 258 HD1 TYR 35 1HD TYR 35 -0.859 0.694 -10.527 259 HD2 TYR 35 2HD TYR 35 1.006 4.553 -10.895 260 HE1 TYR 35 1HE TYR 35 -2.851 1.769 -9.543 261 HE2 TYR 35 2HE TYR 35 -0.957 5.631 -9.868 262 HH TYR 35 HH TYR 35 -3.117 5.290 -9.113 263 H ASP 36 H ASP 36 4.067 3.319 -10.976 264 HA ASP 36 HA ASP 36 4.757 4.185 -8.281 265 HB2 ASP 36 1HB ASP 36 6.382 5.583 -9.357 266 HB3 ASP 36 2HB ASP 36 6.465 3.989 -10.107 267 H GLY 37 H GLY 37 4.306 6.186 -7.431 268 HA2 GLY 37 1HA GLY 37 3.273 8.252 -7.219 269 HA3 GLY 37 2HA GLY 37 2.593 8.098 -8.834 270 H MET 38 H MET 38 1.945 5.246 -7.175 271 HA MET 38 HA MET 38 -0.821 5.517 -6.821 272 HB2 MET 38 1HB MET 38 1.337 3.715 -5.714 273 HB3 MET 38 2HB MET 38 -0.213 3.726 -4.889 274 HG2 MET 38 1HG MET 38 -1.348 3.245 -7.056 275 HG3 MET 38 2HG MET 38 0.250 3.052 -7.789 276 HE1 MET 38 3HE MET 38 -2.572 1.296 -5.658 277 HE2 MET 38 1HE MET 38 -1.605 0.334 -4.524 278 HE3 MET 38 2HE MET 38 -1.560 2.096 -4.429 279 H PHE 39 H PHE 39 1.763 6.640 -4.751 280 HA PHE 39 HA PHE 39 -0.115 7.149 -2.494 281 HB2 PHE 39 1HB PHE 39 2.740 6.215 -2.441 282 HB3 PHE 39 2HB PHE 39 1.713 6.389 -1.024 283 HD1 PHE 39 2HD PHE 39 -0.387 4.817 -0.926 284 HD2 PHE 39 1HD PHE 39 3.050 4.132 -3.455 285 HE1 PHE 39 2HE PHE 39 -1.025 2.416 -1.191 286 HE2 PHE 39 1HE PHE 39 2.428 1.787 -3.695 287 HZ PHE 39 HZ PHE 39 0.371 0.894 -2.566 288 H SER 40 H SER 40 1.023 9.034 -4.646 289 HA SER 40 HA SER 40 2.997 10.696 -3.319 290 HB2 SER 40 1HB SER 40 2.561 10.542 -5.842 291 HB3 SER 40 2HB SER 40 1.127 11.545 -5.560 292 HG SER 40 HG SER 40 2.854 12.851 -6.081 293 H GLY 41 H GLY 41 2.598 11.814 -1.525 294 HA2 GLY 41 1HA GLY 41 1.700 13.692 -0.506 295 HA3 GLY 41 2HA GLY 41 0.227 13.573 -1.451 296 H CYS 42 H CYS 42 1.065 10.575 -0.015 297 HA CYS 42 HA CYS 42 -1.202 10.556 1.757 298 HB2 CYS 42 1HB CYS 42 1.184 8.709 1.530 299 HB3 CYS 42 2HB CYS 42 -0.341 8.360 2.388 300 HG CYS 42 HG CYS 42 -0.107 7.077 0.030 301 H THR 43 H THR 43 -0.531 12.634 3.000 302 HA THR 43 HA THR 43 1.821 12.759 4.404 303 HB THR 43 HB THR 43 0.734 14.575 5.781 304 HG1 THR 43 1HG THR 43 -1.390 13.916 5.786 305 HG21 THR 43 3HG2 THR 43 1.844 15.028 3.611 306 HG22 THR 43 1HG2 THR 43 0.489 16.119 3.920 307 HG23 THR 43 2HG2 THR 43 0.299 14.783 2.775 308 H ALA 44 H ALA 44 -1.164 11.100 5.665 309 HA ALA 44 HA ALA 44 0.545 10.338 7.983 310 HB1 ALA 44 1HB ALA 44 -1.448 10.042 9.294 311 HB2 ALA 44 2HB ALA 44 -1.416 11.707 8.709 312 HB3 ALA 44 3HB ALA 44 -2.494 10.520 7.957 313 H LEU 45 H LEU 45 1.194 9.064 5.880 314 HA LEU 45 HA LEU 45 0.115 6.336 6.401 315 HB2 LEU 45 1HB LEU 45 -0.433 6.604 4.181 316 HB3 LEU 45 2HB LEU 45 0.957 7.618 3.869 317 HG LEU 45 HG LEU 45 0.684 4.974 3.058 318 HD11 LEU 45 1HD1 LEU 45 3.111 6.623 3.130 319 HD12 LEU 45 2HD1 LEU 45 1.773 6.688 1.956 320 HD13 LEU 45 3HD1 LEU 45 2.685 5.214 2.072 321 HD21 LEU 45 3HD2 LEU 45 1.907 3.461 3.965 322 HD22 LEU 45 1HD2 LEU 45 0.937 4.104 5.290 323 HD23 LEU 45 2HD2 LEU 45 2.669 4.554 5.107 324 H GLU 46 H GLU 46 1.514 5.291 7.642 325 HA GLU 46 HA GLU 46 4.386 5.674 7.226 326 HB2 GLU 46 1HB GLU 46 4.479 5.263 9.849 327 HB3 GLU 46 2HB GLU 46 4.659 6.797 8.994 328 HG2 GLU 46 1HG GLU 46 2.146 7.154 9.269 329 HG3 GLU 46 2HG GLU 46 2.168 5.662 10.194 330 H LYS 47 H LYS 47 1.925 3.367 7.182 331 HA LYS 47 HA LYS 47 4.051 1.344 7.009 332 HB2 LYS 47 1HB LYS 47 1.590 1.070 8.766 333 HB3 LYS 47 2HB LYS 47 2.498 -0.306 8.129 334 HG2 LYS 47 1HG LYS 47 4.581 0.786 9.231 335 HG3 LYS 47 2HG LYS 47 3.440 1.783 10.131 336 HD2 LYS 47 1HD LYS 47 2.593 0.035 11.352 337 HD3 LYS 47 2HD LYS 47 2.809 -1.134 10.036 338 HE2 LYS 47 1HE LYS 47 5.135 -1.372 10.431 339 HE3 LYS 47 2HE LYS 47 5.127 -0.109 11.692 340 HZ1 LYS 47 3HZ LYS 47 3.448 -2.545 11.871 341 HZ2 LYS 47 1HZ LYS 47 3.772 -1.448 13.035 342 HZ3 LYS 47 2HZ LYS 47 4.974 -2.464 12.525 343 H LEU 48 H LEU 48 3.515 -0.489 5.926 344 HA LEU 48 HA LEU 48 1.082 -0.704 4.282 345 HB2 LEU 48 1HB LEU 48 2.925 0.480 3.045 346 HB3 LEU 48 2HB LEU 48 3.977 -0.886 3.347 347 HG LEU 48 HG LEU 48 3.297 -0.955 1.147 348 HD11 LEU 48 1HD1 LEU 48 2.651 -3.025 0.721 349 HD12 LEU 48 2HD1 LEU 48 1.541 -3.131 2.088 350 HD13 LEU 48 3HD1 LEU 48 3.309 -3.157 2.350 351 HD21 LEU 48 3HD2 LEU 48 1.106 -0.961 0.219 352 HD22 LEU 48 1HD2 LEU 48 1.308 0.470 1.242 353 HD23 LEU 48 2HD2 LEU 48 0.386 -0.940 1.814 354 H ILE 49 H ILE 49 0.699 -2.979 3.961 355 HA ILE 49 HA ILE 49 2.393 -4.904 5.471 356 HB ILE 49 HB ILE 49 -0.602 -4.676 6.049 357 HG12 ILE 49 1HG1 ILE 49 0.540 -4.218 8.470 358 HG13 ILE 49 2HG1 ILE 49 1.763 -3.490 7.460 359 HG21 ILE 49 1HG2 ILE 49 1.546 -6.384 7.433 360 HG22 ILE 49 2HG2 ILE 49 -0.162 -6.306 7.852 361 HG23 ILE 49 3HG2 ILE 49 0.309 -6.987 6.308 362 HD11 ILE 49 3HD1 ILE 49 0.257 -1.778 8.151 363 HD12 ILE 49 1HD1 ILE 49 -0.063 -2.029 6.432 364 HD13 ILE 49 2HD1 ILE 49 -1.167 -2.721 7.642 365 H LEU 50 H LEU 50 2.265 -6.978 4.649 366 HA LEU 50 HA LEU 50 0.777 -7.268 2.073 367 HB2 LEU 50 1HB LEU 50 3.659 -8.018 2.762 368 HB3 LEU 50 2HB LEU 50 2.851 -8.418 1.258 369 HG LEU 50 HG LEU 50 3.566 -5.622 2.241 370 HD11 LEU 50 1HD1 LEU 50 4.585 -7.177 -0.171 371 HD12 LEU 50 2HD1 LEU 50 5.469 -6.970 1.353 372 HD13 LEU 50 3HD1 LEU 50 5.099 -5.563 0.360 373 HD21 LEU 50 3HD2 LEU 50 1.566 -5.322 1.000 374 HD22 LEU 50 1HD2 LEU 50 2.014 -6.549 -0.188 375 HD23 LEU 50 2HD2 LEU 50 2.851 -4.995 -0.171 376 H THR 51 H THR 51 -0.776 -8.774 2.616 377 HA THR 51 HA THR 51 -0.175 -10.936 4.459 378 HB THR 51 HB THR 51 -2.383 -11.441 4.484 379 HG1 THR 51 1HG THR 51 -2.419 -11.775 2.230 380 HG21 THR 51 3HG2 THR 51 -3.708 -9.495 4.658 381 HG22 THR 51 1HG2 THR 51 -2.767 -8.611 3.454 382 HG23 THR 51 2HG2 THR 51 -2.072 -8.958 5.048 383 H GLY 52 H GLY 52 1.735 -11.206 2.471 384 HA2 GLY 52 1HA GLY 52 0.960 -13.647 1.027 385 HA3 GLY 52 2HA GLY 52 1.574 -12.326 0.048 386 H GLU 53 H GLU 53 2.812 -14.942 0.584 387 HA GLU 53 HA GLU 53 4.794 -14.374 2.679 388 HB2 GLU 53 1HB GLU 53 3.755 -16.926 1.454 389 HB3 GLU 53 2HB GLU 53 5.113 -16.887 2.586 390 HG2 GLU 53 1HG GLU 53 3.722 -15.782 4.269 391 HG3 GLU 53 2HG GLU 53 2.312 -15.839 3.195 392 H ASP 54 H ASP 54 4.775 -13.541 -0.363 393 HA ASP 54 HA ASP 54 7.495 -14.378 -0.993 394 HB2 ASP 54 1HB ASP 54 6.083 -14.643 -3.380 395 HB3 ASP 54 2HB ASP 54 6.648 -15.929 -2.311 396 HA PRO 55 HA PRO 55 7.511 -10.262 -2.866 397 HB2 PRO 55 1HB PRO 55 9.673 -10.578 -4.534 398 HB3 PRO 55 2HB PRO 55 9.819 -10.347 -2.779 399 HG2 PRO 55 1HG PRO 55 9.931 -12.947 -4.329 400 HG3 PRO 55 2HG PRO 55 10.980 -12.443 -3.009 401 HD2 PRO 55 1HD PRO 55 8.884 -14.103 -2.655 402 HD3 PRO 55 2HD PRO 55 9.376 -12.937 -1.395 403 H SER 56 H SER 56 7.887 -13.183 -4.912 404 HA SER 56 HA SER 56 7.317 -12.081 -7.353 405 HB2 SER 56 1HB SER 56 6.843 -14.945 -6.434 406 HB3 SER 56 2HB SER 56 7.197 -14.405 -8.080 407 HG SER 56 HG SER 56 8.913 -14.998 -6.130 408 H ALA 57 H ALA 57 4.977 -12.964 -4.920 409 HA ALA 57 HA ALA 57 2.738 -13.270 -6.757 410 HB1 ALA 57 1HB ALA 57 2.773 -12.872 -3.738 411 HB2 ALA 57 2HB ALA 57 1.426 -13.460 -4.742 412 HB3 ALA 57 3HB ALA 57 2.875 -14.449 -4.558 413 H TYR 58 H TYR 58 4.536 -10.583 -6.145 414 HA TYR 58 HA TYR 58 2.174 -8.791 -6.258 415 HB2 TYR 58 1HB TYR 58 4.784 -8.385 -4.766 416 HB3 TYR 58 2HB TYR 58 3.646 -7.098 -5.107 417 HD1 TYR 58 2HD TYR 58 4.057 -10.318 -3.285 418 HD2 TYR 58 1HD TYR 58 1.632 -6.802 -3.829 419 HE1 TYR 58 2HE TYR 58 2.824 -10.876 -1.229 420 HE2 TYR 58 1HE TYR 58 0.371 -7.332 -1.763 421 HH TYR 58 HH TYR 58 1.146 -10.211 0.245 422 H SER 59 H SER 59 2.936 -6.621 -7.135 423 HA SER 59 HA SER 59 4.772 -6.880 -9.436 424 HB2 SER 59 1HB SER 59 2.665 -5.515 -10.510 425 HB3 SER 59 2HB SER 59 2.935 -7.210 -10.751 426 HG SER 59 HG SER 59 1.473 -6.458 -8.515 427 H ALA 60 H ALA 60 5.992 -5.037 -9.487 428 HA ALA 60 HA ALA 60 4.867 -2.506 -8.437 429 HB1 ALA 60 1HB ALA 60 7.110 -1.962 -7.564 430 HB2 ALA 60 2HB ALA 60 6.413 -3.383 -6.723 431 HB3 ALA 60 3HB ALA 60 7.660 -3.596 -7.970 432 H GLY 61 H GLY 61 5.934 -0.657 -9.522 433 HA2 GLY 61 1HA GLY 61 6.722 -1.210 -12.314 434 HA3 GLY 61 2HA GLY 61 6.106 0.315 -11.651 435 H ASP 62 H ASP 62 7.697 1.772 -11.708 436 HA ASP 62 HA ASP 62 10.472 0.941 -11.014 437 HB2 ASP 62 1HB ASP 62 9.349 2.582 -13.151 438 HB3 ASP 62 2HB ASP 62 10.515 3.498 -12.214 439 H GLY 63 H GLY 63 8.056 1.843 -9.227 440 HA2 GLY 63 1HA GLY 63 9.746 2.868 -7.190 441 HA3 GLY 63 2HA GLY 63 8.812 4.188 -7.891 442 H LEU 64 H LEU 64 8.556 1.024 -6.293 443 HA LEU 64 HA LEU 64 5.749 0.713 -6.234 444 HB2 LEU 64 1HB LEU 64 7.537 -0.938 -5.471 445 HB3 LEU 64 2HB LEU 64 7.630 -0.048 -3.959 446 HG LEU 64 HG LEU 64 5.171 -1.436 -5.104 447 HD11 LEU 64 1HD1 LEU 64 6.664 -2.184 -2.553 448 HD12 LEU 64 2HD1 LEU 64 6.998 -2.946 -4.152 449 HD13 LEU 64 3HD1 LEU 64 5.425 -3.096 -3.396 450 HD21 LEU 64 3HD2 LEU 64 4.336 -1.165 -2.624 451 HD22 LEU 64 1HD2 LEU 64 4.176 0.194 -3.733 452 HD23 LEU 64 2HD2 LEU 64 5.518 0.146 -2.563 453 H ARG 65 H ARG 65 7.920 2.340 -3.944 454 HA ARG 65 HA ARG 65 5.629 3.777 -2.716 455 HB2 ARG 65 1HB ARG 65 6.907 4.079 -0.806 456 HB3 ARG 65 2HB ARG 65 6.995 2.389 -1.213 457 HG2 ARG 65 1HG ARG 65 9.243 2.415 -1.316 458 HG3 ARG 65 2HG ARG 65 9.275 3.804 -2.387 459 HD2 ARG 65 1HD ARG 65 8.563 5.024 -0.027 460 HD3 ARG 65 2HD ARG 65 9.541 3.698 0.597 461 HE ARG 65 HE ARG 65 10.356 6.124 -0.543 462 HH11 ARG 65 1HH1 ARG 65 11.420 2.705 -0.398 463 HH12 ARG 65 2HH1 ARG 65 13.012 3.093 -0.988 464 HH21 ARG 65 1HH2 ARG 65 12.506 6.534 -1.241 465 HH22 ARG 65 2HH2 ARG 65 13.599 5.189 -1.555 466 H ASP 66 H ASP 66 6.378 4.579 -5.267 467 HA ASP 66 HA ASP 66 8.074 6.941 -5.002 468 HB2 ASP 66 1HB ASP 66 7.555 5.743 -7.156 469 HB3 ASP 66 2HB ASP 66 5.931 6.422 -7.074 470 H GLY 67 H GLY 67 7.427 8.977 -4.385 471 HA2 GLY 67 1HA GLY 67 5.909 10.712 -4.077 472 HA3 GLY 67 2HA GLY 67 4.588 9.562 -4.009 473 H ALA 68 H ALA 68 6.677 8.145 -1.832 474 HA ALA 68 HA ALA 68 6.493 9.978 0.372 475 HB1 ALA 68 1HB ALA 68 4.153 9.024 0.329 476 HB2 ALA 68 2HB ALA 68 4.858 7.410 0.591 477 HB3 ALA 68 3HB ALA 68 5.048 8.683 1.812 478 H ASP 69 H ASP 69 7.069 8.344 2.454 479 HA ASP 69 HA ASP 69 8.948 6.218 1.650 480 HB2 ASP 69 1HB ASP 69 10.304 8.261 2.082 481 HB3 ASP 69 2HB ASP 69 9.669 8.291 3.735 482 H PHE 70 H PHE 70 7.094 4.949 2.134 483 HA PHE 70 HA PHE 70 6.230 4.883 4.988 484 HB2 PHE 70 1HB PHE 70 4.287 3.538 4.169 485 HB3 PHE 70 2HB PHE 70 4.499 4.984 3.342 486 HD1 PHE 70 2HD PHE 70 5.425 1.328 3.065 487 HD2 PHE 70 1HD PHE 70 4.529 5.002 0.951 488 HE1 PHE 70 2HE PHE 70 5.200 0.076 0.933 489 HE2 PHE 70 1HE PHE 70 4.077 3.716 -1.087 490 HZ PHE 70 HZ PHE 70 4.372 1.259 -1.107 491 H LEU 71 H LEU 71 5.974 2.645 5.810 492 HA LEU 71 HA LEU 71 8.450 1.031 5.228 493 HB2 LEU 71 1HB LEU 71 8.070 2.197 7.515 494 HB3 LEU 71 2HB LEU 71 6.786 1.040 7.781 495 HG LEU 71 HG LEU 71 8.555 -0.796 7.512 496 HD11 LEU 71 1HD1 LEU 71 10.436 1.592 7.746 497 HD12 LEU 71 2HD1 LEU 71 10.259 0.588 6.291 498 HD13 LEU 71 3HD1 LEU 71 10.909 -0.133 7.772 499 HD21 LEU 71 3HD2 LEU 71 9.543 -0.366 9.772 500 HD22 LEU 71 1HD2 LEU 71 7.793 -0.077 9.727 501 HD23 LEU 71 2HD2 LEU 71 8.919 1.288 9.698 502 H ILE 72 H ILE 72 8.266 -1.304 5.223 503 HA ILE 72 HA ILE 72 5.583 -2.251 4.392 504 HB ILE 72 HB ILE 72 8.300 -3.255 3.639 505 HG12 ILE 72 1HG1 ILE 72 6.540 -1.843 1.633 506 HG13 ILE 72 2HG1 ILE 72 7.441 -0.837 2.739 507 HG21 ILE 72 1HG2 ILE 72 5.562 -3.905 2.464 508 HG22 ILE 72 2HG2 ILE 72 7.119 -4.469 1.824 509 HG23 ILE 72 3HG2 ILE 72 6.587 -5.003 3.409 510 HD11 ILE 72 3HD1 ILE 72 9.504 -2.086 2.153 511 HD12 ILE 72 1HD1 ILE 72 8.572 -2.886 0.851 512 HD13 ILE 72 2HD1 ILE 72 8.818 -1.124 0.849 513 H CYS 73 H CYS 73 4.893 -4.308 5.163 514 HA CYS 73 HA CYS 73 6.471 -5.549 7.317 515 HB2 CYS 73 1HB CYS 73 3.450 -5.380 7.322 516 HB3 CYS 73 2HB CYS 73 4.503 -5.872 8.643 517 HG CYS 73 HG CYS 73 4.173 -2.935 7.156 518 H VAL 74 H VAL 74 6.642 -7.828 6.953 519 HA VAL 74 HA VAL 74 4.798 -9.167 5.051 520 HB VAL 74 HB VAL 74 6.709 -10.429 4.093 521 HG11 VAL 74 1HG1 VAL 74 6.773 -7.452 3.611 522 HG12 VAL 74 2HG1 VAL 74 7.629 -8.661 2.626 523 HG13 VAL 74 3HG1 VAL 74 5.873 -8.711 2.762 524 HG21 VAL 74 3HG2 VAL 74 9.026 -9.640 4.275 525 HG22 VAL 74 1HG2 VAL 74 8.551 -8.595 5.635 526 HG23 VAL 74 2HG2 VAL 74 8.393 -10.351 5.752 527 HA PRO 75 HA PRO 75 4.972 -12.200 8.314 528 HB2 PRO 75 1HB PRO 75 5.075 -14.653 6.933 529 HB3 PRO 75 2HB PRO 75 3.600 -13.738 7.293 530 HG2 PRO 75 1HG PRO 75 5.188 -13.854 4.769 531 HG3 PRO 75 2HG PRO 75 3.405 -13.716 4.959 532 HD2 PRO 75 1HD PRO 75 5.026 -11.628 4.281 533 HD3 PRO 75 2HD PRO 75 3.517 -11.429 5.192 534 H GLU 76 H GLU 76 6.561 -13.238 9.476 535 HA GLU 76 HA GLU 76 9.214 -12.858 8.768 536 HB2 GLU 76 1HB GLU 76 9.890 -14.122 10.612 537 HB3 GLU 76 2HB GLU 76 8.520 -13.099 11.015 538 HG2 GLU 76 1HG GLU 76 7.144 -14.882 11.385 539 HG3 GLU 76 2HG GLU 76 8.053 -16.009 10.374 540 H GLU 77 H GLU 77 7.251 -15.625 8.011 541 HA GLU 77 HA GLU 77 9.469 -17.301 7.161 542 HB2 GLU 77 1HB GLU 77 6.690 -17.700 7.647 543 HB3 GLU 77 2HB GLU 77 6.949 -18.142 5.960 544 HG2 GLU 77 1HG GLU 77 8.597 -19.165 8.319 545 HG3 GLU 77 2HG GLU 77 7.229 -20.021 7.619 546 H ALA 78 H ALA 78 8.122 -14.546 5.731 547 HA ALA 78 HA ALA 78 9.121 -15.336 2.998 548 HB1 ALA 78 1HB ALA 78 8.035 -13.328 2.236 549 HB2 ALA 78 2HB ALA 78 6.886 -14.205 3.264 550 HB3 ALA 78 3HB ALA 78 7.726 -12.779 3.898 551 H LEU 79 H LEU 79 10.379 -14.029 5.910 552 HA LEU 79 HA LEU 79 11.279 -11.598 4.996 553 HB2 LEU 79 1HB LEU 79 11.064 -12.563 7.399 554 HB3 LEU 79 2HB LEU 79 12.698 -13.173 7.160 555 HG LEU 79 HG LEU 79 13.205 -10.644 6.432 556 HD11 LEU 79 1HD1 LEU 79 11.750 -8.990 7.476 557 HD12 LEU 79 2HD1 LEU 79 10.781 -10.262 8.248 558 HD13 LEU 79 3HD1 LEU 79 10.692 -10.049 6.517 559 HD21 LEU 79 3HD2 LEU 79 12.635 -11.463 9.295 560 HD22 LEU 79 1HD2 LEU 79 13.583 -10.045 8.819 561 HD23 LEU 79 2HD2 LEU 79 14.165 -11.684 8.421 562 H ASP 80 H ASP 80 13.024 -14.712 4.811 563 HA ASP 80 HA ASP 80 15.443 -13.348 3.712 564 HB2 ASP 80 1HB ASP 80 15.094 -15.768 5.032 565 HB3 ASP 80 2HB ASP 80 15.169 -16.264 3.341 566 H ARG 81 H ARG 81 12.498 -14.966 2.674 567 HA ARG 81 HA ARG 81 13.156 -15.605 0.014 568 HB2 ARG 81 1HB ARG 81 11.097 -16.320 1.343 569 HB3 ARG 81 2HB ARG 81 10.387 -14.745 0.923 570 HG2 ARG 81 1HG ARG 81 10.867 -15.268 -1.498 571 HG3 ARG 81 2HG ARG 81 11.375 -16.889 -0.982 572 HD2 ARG 81 1HD ARG 81 8.673 -15.900 -0.155 573 HD3 ARG 81 2HD ARG 81 8.930 -16.324 -1.840 574 HE ARG 81 HE ARG 81 9.206 -18.536 -1.349 575 HH11 ARG 81 1HH1 ARG 81 8.106 -16.793 1.578 576 HH12 ARG 81 2HH1 ARG 81 8.090 -18.246 2.538 577 HH21 ARG 81 1HH2 ARG 81 8.830 -20.458 -0.031 578 HH22 ARG 81 2HH2 ARG 81 8.275 -20.216 1.602 579 H TYR 82 H TYR 82 11.314 -12.649 1.069 580 HA TYR 82 HA TYR 82 11.537 -11.288 -1.371 581 HB2 TYR 82 1HB TYR 82 10.782 -9.407 -0.340 582 HB3 TYR 82 2HB TYR 82 10.195 -10.629 0.766 583 HD1 TYR 82 1HD TYR 82 12.927 -8.121 0.230 584 HD2 TYR 82 2HD TYR 82 10.843 -10.613 3.058 585 HE1 TYR 82 1HE TYR 82 14.139 -7.025 2.084 586 HE2 TYR 82 2HE TYR 82 11.999 -9.428 4.915 587 HH TYR 82 HH TYR 82 13.135 -6.988 5.192 588 H ARG 83 H ARG 83 13.890 -11.393 1.340 589 HA ARG 83 HA ARG 83 15.503 -9.338 0.318 590 HB2 ARG 83 1HB ARG 83 16.111 -11.722 2.151 591 HB3 ARG 83 2HB ARG 83 17.352 -10.562 1.728 592 HG2 ARG 83 1HG ARG 83 15.869 -8.711 2.515 593 HG3 ARG 83 2HG ARG 83 14.668 -9.931 2.926 594 HD2 ARG 83 1HD ARG 83 15.487 -9.494 4.963 595 HD3 ARG 83 2HD ARG 83 16.528 -10.863 4.538 596 HE ARG 83 HE ARG 83 17.185 -8.110 5.058 597 HH11 ARG 83 1HH1 ARG 83 18.604 -11.047 3.852 598 HH12 ARG 83 2HH1 ARG 83 19.985 -10.387 3.091 599 HH21 ARG 83 1HH2 ARG 83 19.021 -7.023 4.051 600 HH22 ARG 83 2HH2 ARG 83 20.181 -7.974 3.160 601 H ARG 84 H ARG 84 15.208 -12.645 -0.774 602 HA ARG 84 HA ARG 84 17.700 -12.503 -2.399 603 HB2 ARG 84 1HB ARG 84 15.789 -14.807 -1.788 604 HB3 ARG 84 2HB ARG 84 17.236 -14.909 -2.809 605 HG2 ARG 84 1HG ARG 84 18.589 -14.042 -0.849 606 HG3 ARG 84 2HG ARG 84 17.167 -14.227 0.158 607 HD2 ARG 84 1HD ARG 84 17.082 -16.649 -0.399 608 HD3 ARG 84 2HD ARG 84 18.553 -16.470 -1.374 609 HE ARG 84 HE ARG 84 18.248 -16.307 1.566 610 HH11 ARG 84 1HH1 ARG 84 20.461 -15.497 -1.129 611 HH12 ARG 84 2HH1 ARG 84 21.859 -15.446 -0.104 612 HH21 ARG 84 1HH2 ARG 84 19.931 -15.995 2.844 613 HH22 ARG 84 2HH2 ARG 84 21.547 -15.629 2.283 614 H ASP 85 H ASP 85 14.658 -11.292 -2.825 615 HA ASP 85 HA ASP 85 13.953 -12.429 -5.376 616 HB2 ASP 85 1HB ASP 85 12.400 -11.126 -3.890 617 HB3 ASP 85 2HB ASP 85 13.355 -9.683 -4.262 618 H TYR 86 H TYR 86 13.989 -11.196 -7.413 619 HA TYR 86 HA TYR 86 16.601 -10.164 -8.028 620 HB2 TYR 86 1HB TYR 86 14.830 -11.515 -9.440 621 HB3 TYR 86 2HB TYR 86 14.195 -9.922 -9.843 622 HD1 TYR 86 1HD TYR 86 17.160 -12.163 -9.917 623 HD2 TYR 86 2HD TYR 86 15.419 -8.507 -11.404 624 HE1 TYR 86 1HE TYR 86 18.848 -12.109 -11.724 625 HE2 TYR 86 2HE TYR 86 17.173 -8.404 -13.191 626 HH TYR 86 HH TYR 86 19.436 -11.086 -13.709 627 H PHE 87 H PHE 87 13.319 -8.721 -7.584 628 HA PHE 87 HA PHE 87 14.336 -6.027 -8.242 629 HB2 PHE 87 1HB PHE 87 12.340 -6.861 -9.368 630 HB3 PHE 87 2HB PHE 87 11.546 -7.177 -7.835 631 HD1 PHE 87 1HD PHE 87 12.673 -4.551 -10.201 632 HD2 PHE 87 2HD PHE 87 10.567 -5.363 -6.513 633 HE1 PHE 87 1HE PHE 87 11.728 -2.254 -10.220 634 HE2 PHE 87 2HE PHE 87 9.633 -3.061 -6.555 635 HZ PHE 87 HZ PHE 87 10.214 -1.514 -8.422 636 H TRP 88 H TRP 88 12.347 -7.615 -5.700 637 HA TRP 88 HA TRP 88 12.074 -5.394 -4.015 638 HB2 TRP 88 1HB TRP 88 11.859 -8.359 -3.476 639 HB3 TRP 88 2HB TRP 88 11.566 -7.159 -2.255 640 HD1 TRP 88 HD TRP 88 10.035 -8.346 -5.618 641 HE1 TRP 88 1HE TRP 88 7.568 -7.758 -5.620 642 HE3 TRP 88 3HE TRP 88 9.921 -5.539 -1.389 643 HZ2 TRP 88 2HZ TRP 88 5.732 -6.208 -3.986 644 HZ3 TRP 88 3HZ TRP 88 7.772 -4.596 -0.538 645 HH2 TRP 88 HH TRP 88 5.666 -4.948 -1.835 646 H GLN 89 H GLN 89 14.965 -7.418 -4.238 647 HA GLN 89 HA GLN 89 16.328 -6.940 -1.914 648 HB2 GLN 89 1HB GLN 89 16.961 -7.164 -4.850 649 HB3 GLN 89 2HB GLN 89 18.189 -6.372 -3.867 650 HG2 GLN 89 1HG GLN 89 18.045 -8.261 -2.255 651 HG3 GLN 89 2HG GLN 89 17.026 -9.144 -3.380 652 HE21 GLN 89 1HE2 GLN 89 17.954 -9.461 -5.607 653 HE22 GLN 89 2HE2 GLN 89 19.702 -9.549 -5.852 654 H THR 90 H THR 90 15.766 -4.546 -4.541 655 HA THR 90 HA THR 90 17.561 -2.616 -3.510 656 HB THR 90 HB THR 90 16.542 -2.681 -5.791 657 HG1 THR 90 1HG THR 90 17.623 -0.844 -5.022 658 HG21 THR 90 3HG2 THR 90 14.175 -1.217 -4.592 659 HG22 THR 90 1HG2 THR 90 14.130 -2.935 -5.062 660 HG23 THR 90 2HG2 THR 90 14.435 -1.679 -6.273 661 H TYR 91 H TYR 91 14.183 -3.335 -2.667 662 HA TYR 91 HA TYR 91 13.922 -1.062 -0.869 663 HB2 TYR 91 1HB TYR 91 12.098 -3.355 -1.684 664 HB3 TYR 91 2HB TYR 91 11.656 -2.148 -0.503 665 HD1 TYR 91 1HD TYR 91 11.761 0.307 -1.129 666 HD2 TYR 91 2HD TYR 91 11.794 -2.866 -4.063 667 HE1 TYR 91 1HE TYR 91 10.928 1.898 -2.840 668 HE2 TYR 91 2HE TYR 91 11.000 -1.257 -5.785 669 HH TYR 91 HH TYR 91 10.789 2.164 -5.274 670 H ALA 92 H ALA 92 15.889 -3.591 -0.255 671 HA ALA 92 HA ALA 92 14.507 -4.918 1.888 672 HB1 ALA 92 1HB ALA 92 17.472 -4.933 1.227 673 HB2 ALA 92 2HB ALA 92 16.600 -6.097 2.234 674 HB3 ALA 92 3HB ALA 92 16.257 -6.016 0.497 675 H ALA 93 H ALA 93 15.628 -1.771 1.870 676 HA ALA 93 HA ALA 93 16.588 -1.853 4.593 677 HB1 ALA 93 1HB ALA 93 15.970 0.614 2.940 678 HB2 ALA 93 2HB ALA 93 16.861 0.539 4.457 679 HB3 ALA 93 3HB ALA 93 17.543 -0.208 3.004 680 H TRP 94 H TRP 94 13.448 -1.715 3.087 681 HA TRP 94 HA TRP 94 12.258 -0.440 5.525 682 HB2 TRP 94 1HB TRP 94 11.110 -0.552 2.720 683 HB3 TRP 94 2HB TRP 94 10.399 0.215 4.081 684 HD1 TRP 94 HD TRP 94 10.805 2.698 4.387 685 HE1 TRP 94 1HE TRP 94 12.185 4.468 3.181 686 HE3 TRP 94 3HE TRP 94 13.604 -0.326 1.393 687 HZ2 TRP 94 2HZ TRP 94 14.435 4.546 1.380 688 HZ3 TRP 94 3HZ TRP 94 15.386 0.623 -0.092 689 HH2 TRP 94 HH TRP 94 15.832 3.063 -0.054 690 H ILE 95 H ILE 95 12.653 -3.533 4.375 691 HA ILE 95 HA ILE 95 9.808 -4.336 4.640 692 HB ILE 95 HB ILE 95 12.186 -5.781 3.457 693 HG12 ILE 95 1HG1 ILE 95 9.893 -4.597 1.856 694 HG13 ILE 95 2HG1 ILE 95 11.378 -3.739 2.129 695 HG21 ILE 95 1HG2 ILE 95 10.293 -7.285 4.237 696 HG22 ILE 95 2HG2 ILE 95 9.217 -6.433 3.091 697 HG23 ILE 95 3HG2 ILE 95 10.574 -7.372 2.515 698 HD11 ILE 95 3HD1 ILE 95 12.650 -5.656 1.006 699 HD12 ILE 95 1HD1 ILE 95 11.089 -6.385 0.621 700 HD13 ILE 95 2HD1 ILE 95 11.523 -4.801 -0.030 701 H GLN 96 H GLN 96 9.478 -4.522 6.870 702 HA GLN 96 HA GLN 96 11.375 -6.228 8.436 703 HB2 GLN 96 1HB GLN 96 10.009 -5.270 10.402 704 HB3 GLN 96 2HB GLN 96 11.201 -4.231 9.600 705 HG2 GLN 96 1HG GLN 96 9.479 -2.974 8.549 706 HG3 GLN 96 2HG GLN 96 8.252 -4.188 8.938 707 HE21 GLN 96 1HE2 GLN 96 10.679 -3.036 11.404 708 HE22 GLN 96 2HE2 GLN 96 9.432 -2.202 12.320 709 HA PRO 97 HA PRO 97 8.283 -9.389 8.909 710 HB2 PRO 97 1HB PRO 97 8.608 -10.277 11.496 711 HB3 PRO 97 2HB PRO 97 9.756 -10.628 10.177 712 HG2 PRO 97 1HG PRO 97 9.924 -8.453 12.280 713 HG3 PRO 97 2HG PRO 97 11.215 -9.564 11.740 714 HD2 PRO 97 1HD PRO 97 11.009 -7.024 10.802 715 HD3 PRO 97 2HD PRO 97 11.557 -8.356 9.754 716 H MET 98 H MET 98 6.223 -9.730 9.664 717 HA MET 98 HA MET 98 4.753 -7.746 11.196 718 HB2 MET 98 1HB MET 98 4.094 -10.504 10.098 719 HB3 MET 98 2HB MET 98 2.942 -9.561 11.042 720 HG2 MET 98 1HG MET 98 3.331 -7.669 9.400 721 HG3 MET 98 2HG MET 98 4.117 -8.884 8.363 722 HE1 MET 98 3HE MET 98 2.793 -9.628 6.412 723 HE2 MET 98 1HE MET 98 2.746 -11.086 7.438 724 HE3 MET 98 2HE MET 98 1.291 -10.551 6.576 725 H GLU 99 H GLU 99 3.227 -8.900 12.993 726 HA GLU 99 HA GLU 99 5.078 -9.928 15.042 727 HB2 GLU 99 1HB GLU 99 3.352 -7.750 15.042 728 HB3 GLU 99 2HB GLU 99 2.354 -8.991 15.800 729 HG2 GLU 99 1HG GLU 99 4.254 -9.451 17.367 730 HG3 GLU 99 2HG GLU 99 5.191 -8.205 16.523 731 H GLN 100 H GLN 100 3.522 -11.081 16.804 732 HA GLN 100 HA GLN 100 1.435 -12.694 15.667 733 HB2 GLN 100 1HB GLN 100 3.318 -13.893 17.746 734 HB3 GLN 100 2HB GLN 100 1.934 -14.632 16.953 735 HG2 GLN 100 1HG GLN 100 3.376 -14.300 14.751 736 HG3 GLN 100 2HG GLN 100 4.716 -14.139 15.882 737 HE21 GLN 100 1HE2 GLN 100 4.838 -16.203 14.059 738 HE22 GLN 100 2HE2 GLN 100 4.349 -17.730 14.703 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -7.656 14.229 -8.987 2 HA2 GLY 1 1HA GLY 1 -10.201 15.658 -8.404 3 HA3 GLY 1 2HA GLY 1 -9.434 15.558 -9.996 4 H SER 2 H SER 2 -11.146 13.686 -7.448 5 HA SER 2 HA SER 2 -11.725 11.531 -9.357 6 HB2 SER 2 1HB SER 2 -10.862 10.800 -6.579 7 HB3 SER 2 2HB SER 2 -10.775 9.882 -8.084 8 HG SER 2 HG SER 2 -8.818 10.453 -7.191 9 H HIS 3 H HIS 3 -13.226 9.848 -8.006 10 HA HIS 3 HA HIS 3 -15.045 11.278 -6.173 11 HB2 HIS 3 1HB HIS 3 -15.605 11.628 -8.690 12 HB3 HIS 3 2HB HIS 3 -15.999 9.911 -8.709 13 HD1 HIS 3 1HD HIS 3 -17.046 13.154 -6.870 14 HD2 HIS 3 2HD HIS 3 -18.389 9.264 -7.776 15 HE1 HIS 3 1HE HIS 3 -19.487 13.033 -6.119 16 H GLU 4 H GLU 4 -13.350 9.475 -5.223 17 HA GLU 4 HA GLU 4 -15.162 7.302 -4.483 18 HB2 GLU 4 1HB GLU 4 -13.636 6.852 -6.676 19 HB3 GLU 4 2HB GLU 4 -12.419 6.434 -5.482 20 HG2 GLU 4 1HG GLU 4 -15.264 5.362 -5.420 21 HG3 GLU 4 2HG GLU 4 -14.069 4.676 -6.511 22 H GLY 5 H GLY 5 -14.673 6.519 -2.350 23 HA2 GLY 5 1HA GLY 5 -12.502 8.015 -0.948 24 HA3 GLY 5 2HA GLY 5 -14.150 7.856 -0.376 25 H GLU 6 H GLU 6 -12.899 4.870 -1.847 26 HA GLU 6 HA GLU 6 -12.405 3.717 0.803 27 HB2 GLU 6 1HB GLU 6 -13.402 2.740 -1.854 28 HB3 GLU 6 2HB GLU 6 -12.593 1.661 -0.738 29 HG2 GLU 6 1HG GLU 6 -14.185 2.156 1.035 30 HG3 GLU 6 2HG GLU 6 -14.958 3.385 0.034 31 HA PRO 7 HA PRO 7 -8.166 3.856 -0.857 32 HB2 PRO 7 1HB PRO 7 -6.841 4.521 1.411 33 HB3 PRO 7 2HB PRO 7 -7.632 5.766 0.421 34 HG2 PRO 7 1HG PRO 7 -8.760 4.300 2.859 35 HG3 PRO 7 2HG PRO 7 -8.740 6.056 2.583 36 HD2 PRO 7 1HD PRO 7 -10.916 4.566 2.035 37 HD3 PRO 7 2HD PRO 7 -10.443 5.931 0.972 38 H VAL 8 H VAL 8 -9.090 1.554 -0.919 39 HA VAL 8 HA VAL 8 -7.645 -0.187 1.008 40 HB VAL 8 HB VAL 8 -10.551 -0.446 0.107 41 HG11 VAL 8 1HG1 VAL 8 -10.635 -2.515 1.504 42 HG12 VAL 8 2HG1 VAL 8 -9.697 -2.711 0.042 43 HG13 VAL 8 3HG1 VAL 8 -8.861 -2.497 1.607 44 HG21 VAL 8 3HG2 VAL 8 -10.882 -0.551 2.648 45 HG22 VAL 8 1HG2 VAL 8 -9.189 -0.073 2.810 46 HG23 VAL 8 2HG2 VAL 8 -10.358 1.006 2.021 47 H VAL 9 H VAL 9 -7.413 -2.448 0.022 48 HA VAL 9 HA VAL 9 -6.487 -2.126 -2.768 49 HB VAL 9 HB VAL 9 -5.557 -4.206 -0.757 50 HG11 VAL 9 1HG1 VAL 9 -4.016 -4.856 -2.291 51 HG12 VAL 9 2HG1 VAL 9 -5.177 -4.237 -3.481 52 HG13 VAL 9 3HG1 VAL 9 -3.796 -3.266 -2.995 53 HG21 VAL 9 3HG2 VAL 9 -3.872 -1.801 -1.318 54 HG22 VAL 9 1HG2 VAL 9 -5.020 -1.812 0.042 55 HG23 VAL 9 2HG2 VAL 9 -3.769 -3.011 -0.054 56 H GLY 10 H GLY 10 -8.847 -2.334 -3.230 57 HA2 GLY 10 1HA GLY 10 -9.696 -5.194 -3.510 58 HA3 GLY 10 2HA GLY 10 -10.775 -3.792 -3.512 59 H MET 11 H MET 11 -8.179 -5.379 -5.222 60 HA MET 11 HA MET 11 -7.306 -5.446 -7.269 61 HB2 MET 11 1HB MET 11 -10.213 -5.010 -7.951 62 HB3 MET 11 2HB MET 11 -8.993 -5.294 -9.184 63 HG2 MET 11 1HG MET 11 -9.507 -7.184 -6.860 64 HG3 MET 11 2HG MET 11 -10.197 -7.343 -8.471 65 HE1 MET 11 3HE MET 11 -8.937 -9.916 -7.658 66 HE2 MET 11 1HE MET 11 -9.453 -9.529 -9.311 67 HE3 MET 11 2HE MET 11 -7.860 -10.267 -9.023 68 H ASP 12 H ASP 12 -9.400 -2.535 -7.449 69 HA ASP 12 HA ASP 12 -8.075 -1.349 -9.632 70 HB2 ASP 12 1HB ASP 12 -10.359 -0.836 -8.732 71 HB3 ASP 12 2HB ASP 12 -9.626 -0.011 -7.383 72 H LYS 13 H LYS 13 -5.764 -0.949 -9.538 73 HA LYS 13 HA LYS 13 -4.797 0.601 -7.185 74 HB2 LYS 13 1HB LYS 13 -3.303 -0.830 -9.408 75 HB3 LYS 13 2HB LYS 13 -2.573 0.157 -8.150 76 HG2 LYS 13 1HG LYS 13 -4.035 -2.509 -7.643 77 HG3 LYS 13 2HG LYS 13 -2.326 -2.217 -7.718 78 HD2 LYS 13 1HD LYS 13 -2.272 -1.687 -5.568 79 HD3 LYS 13 2HD LYS 13 -3.397 -0.362 -5.821 80 HE2 LYS 13 1HE LYS 13 -4.004 -3.269 -5.191 81 HE3 LYS 13 2HE LYS 13 -4.352 -1.834 -4.209 82 HZ1 LYS 13 3HZ LYS 13 -6.395 -2.425 -5.174 83 HZ2 LYS 13 1HZ LYS 13 -5.720 -2.729 -6.654 84 HZ3 LYS 13 2HZ LYS 13 -5.911 -1.200 -6.091 85 H SER 14 H SER 14 -6.355 2.252 -8.098 86 HA SER 14 HA SER 14 -4.546 4.173 -9.460 87 HB2 SER 14 1HB SER 14 -7.069 3.162 -10.536 88 HB3 SER 14 2HB SER 14 -7.136 4.900 -10.295 89 HG SER 14 HG SER 14 -5.629 5.196 -11.719 90 H LEU 15 H LEU 15 -6.627 3.576 -6.726 91 HA LEU 15 HA LEU 15 -7.181 6.442 -6.455 92 HB2 LEU 15 1HB LEU 15 -9.110 5.826 -5.187 93 HB3 LEU 15 2HB LEU 15 -9.121 5.304 -6.842 94 HG LEU 15 HG LEU 15 -10.028 3.795 -4.947 95 HD11 LEU 15 1HD1 LEU 15 -9.882 3.169 -7.323 96 HD12 LEU 15 2HD1 LEU 15 -9.677 1.826 -6.207 97 HD13 LEU 15 3HD1 LEU 15 -8.262 2.505 -7.047 98 HD21 LEU 15 3HD2 LEU 15 -8.499 2.113 -4.084 99 HD22 LEU 15 1HD2 LEU 15 -8.041 3.739 -3.530 100 HD23 LEU 15 2HD2 LEU 15 -7.119 2.951 -4.835 101 H PHE 16 H PHE 16 -4.711 4.891 -5.202 102 HA PHE 16 HA PHE 16 -5.309 4.994 -2.353 103 HB2 PHE 16 1HB PHE 16 -2.659 4.568 -3.819 104 HB3 PHE 16 2HB PHE 16 -2.863 4.631 -2.056 105 HD1 PHE 16 2HD PHE 16 -4.381 2.888 -5.051 106 HD2 PHE 16 1HD PHE 16 -3.230 2.693 -0.896 107 HE1 PHE 16 2HE PHE 16 -5.338 0.624 -4.891 108 HE2 PHE 16 1HE PHE 16 -4.026 0.355 -0.792 109 HZ PHE 16 HZ PHE 16 -5.107 -0.661 -2.776 110 H ALA 17 H ALA 17 -3.569 7.064 -4.642 111 HA ALA 17 HA ALA 17 -2.573 8.962 -2.721 112 HB1 ALA 17 1HB ALA 17 -1.408 8.476 -4.838 113 HB2 ALA 17 2HB ALA 17 -2.832 8.990 -5.767 114 HB3 ALA 17 3HB ALA 17 -1.910 10.167 -4.830 115 H GLY 18 H GLY 18 -5.162 8.854 -2.047 116 HA2 GLY 18 1HA GLY 18 -6.073 11.597 -2.705 117 HA3 GLY 18 2HA GLY 18 -7.249 10.293 -2.784 118 H ASN 19 H ASN 19 -6.187 8.725 -0.493 119 HA ASN 19 HA ASN 19 -7.590 10.367 1.470 120 HB2 ASN 19 1HB ASN 19 -8.090 7.981 1.067 121 HB3 ASN 19 2HB ASN 19 -6.529 7.545 1.798 122 HD21 ASN 19 1HD2 ASN 19 -6.389 7.656 4.119 123 HD22 ASN 19 2HD2 ASN 19 -7.765 8.088 5.101 124 H THR 20 H THR 20 -6.353 11.949 2.319 125 HA THR 20 HA THR 20 -3.595 11.839 2.976 126 HB THR 20 HB THR 20 -4.413 14.098 4.086 127 HG1 THR 20 1HG THR 20 -6.440 14.692 3.550 128 HG21 THR 20 3HG2 THR 20 -4.564 15.172 1.872 129 HG22 THR 20 1HG2 THR 20 -4.791 13.589 1.108 130 HG23 THR 20 2HG2 THR 20 -3.258 13.982 1.906 131 H VAL 21 H VAL 21 -5.726 9.985 4.513 132 HA VAL 21 HA VAL 21 -4.460 10.268 7.125 133 HB VAL 21 HB VAL 21 -6.305 11.853 7.171 134 HG11 VAL 21 1HG1 VAL 21 -8.287 9.567 6.890 135 HG12 VAL 21 2HG1 VAL 21 -8.630 11.276 7.133 136 HG13 VAL 21 3HG1 VAL 21 -7.907 10.744 5.614 137 HG21 VAL 21 3HG2 VAL 21 -6.799 9.521 9.034 138 HG22 VAL 21 1HG2 VAL 21 -5.570 10.779 9.239 139 HG23 VAL 21 2HG2 VAL 21 -7.290 11.198 9.279 140 H ILE 22 H ILE 22 -3.741 8.371 5.555 141 HA ILE 22 HA ILE 22 -4.966 5.973 6.793 142 HB ILE 22 HB ILE 22 -5.865 5.901 4.639 143 HG12 ILE 22 1HG1 ILE 22 -3.608 3.890 4.763 144 HG13 ILE 22 2HG1 ILE 22 -5.137 3.804 5.655 145 HG21 ILE 22 1HG2 ILE 22 -4.779 6.092 2.550 146 HG22 ILE 22 2HG2 ILE 22 -3.923 7.298 3.506 147 HG23 ILE 22 3HG2 ILE 22 -3.185 5.736 3.231 148 HD11 ILE 22 3HD1 ILE 22 -6.363 3.808 3.500 149 HD12 ILE 22 1HD1 ILE 22 -4.813 3.736 2.607 150 HD13 ILE 22 2HD1 ILE 22 -5.296 2.411 3.691 151 H ARG 23 H ARG 23 -3.465 5.861 8.306 152 HA ARG 23 HA ARG 23 -0.624 6.089 7.666 153 HB2 ARG 23 1HB ARG 23 -2.215 5.996 10.129 154 HB3 ARG 23 2HB ARG 23 -0.696 5.098 10.222 155 HG2 ARG 23 1HG ARG 23 -0.794 7.855 8.991 156 HG3 ARG 23 2HG ARG 23 -0.602 7.707 10.698 157 HD2 ARG 23 1HD ARG 23 1.467 6.567 10.567 158 HD3 ARG 23 2HD ARG 23 1.245 6.177 8.873 159 HE ARG 23 HE ARG 23 1.952 8.257 8.222 160 HH11 ARG 23 1HH1 ARG 23 1.989 8.165 11.804 161 HH12 ARG 23 2HH1 ARG 23 2.773 9.702 11.854 162 HH21 ARG 23 1HH2 ARG 23 2.939 10.232 8.417 163 HH22 ARG 23 2HH2 ARG 23 3.216 10.937 9.973 164 H GLU 24 H GLU 24 -2.827 3.479 7.356 165 HA GLU 24 HA GLU 24 -0.583 1.512 7.391 166 HB2 GLU 24 1HB GLU 24 -3.325 1.242 8.702 167 HB3 GLU 24 2HB GLU 24 -2.214 -0.104 8.430 168 HG2 GLU 24 1HG GLU 24 -0.580 0.893 9.963 169 HG3 GLU 24 2HG GLU 24 -1.644 2.282 10.228 170 H ILE 25 H ILE 25 -0.691 0.191 5.568 171 HA ILE 25 HA ILE 25 -3.292 -0.020 4.123 172 HB ILE 25 HB ILE 25 -0.542 0.503 2.983 173 HG12 ILE 25 1HG1 ILE 25 -3.049 2.189 3.091 174 HG13 ILE 25 2HG1 ILE 25 -1.535 2.495 3.892 175 HG21 ILE 25 1HG2 ILE 25 -1.842 -1.102 1.577 176 HG22 ILE 25 2HG2 ILE 25 -3.162 0.072 1.490 177 HG23 ILE 25 3HG2 ILE 25 -1.575 0.428 0.759 178 HD11 ILE 25 3HD1 ILE 25 -2.080 2.646 0.920 179 HD12 ILE 25 1HD1 ILE 25 -1.736 3.977 2.011 180 HD13 ILE 25 2HD1 ILE 25 -0.456 2.794 1.638 181 H THR 26 H THR 26 -3.924 -2.113 4.190 182 HA THR 26 HA THR 26 -1.859 -4.249 4.425 183 HB THR 26 HB THR 26 -4.885 -4.306 4.742 184 HG1 THR 26 1HG THR 26 -3.777 -3.296 6.414 185 HG21 THR 26 3HG2 THR 26 -4.530 -6.596 5.628 186 HG22 THR 26 1HG2 THR 26 -2.807 -6.501 5.204 187 HG23 THR 26 2HG2 THR 26 -4.053 -6.510 3.928 188 H VAL 27 H VAL 27 -1.095 -4.854 2.406 189 HA VAL 27 HA VAL 27 -2.935 -4.950 0.066 190 HB VAL 27 HB VAL 27 0.089 -5.048 -0.025 191 HG11 VAL 27 1HG1 VAL 27 -1.327 -5.731 -2.060 192 HG12 VAL 27 2HG1 VAL 27 -1.831 -4.037 -2.139 193 HG13 VAL 27 3HG1 VAL 27 -0.129 -4.458 -2.314 194 HG21 VAL 27 3HG2 VAL 27 0.069 -2.663 -0.642 195 HG22 VAL 27 1HG2 VAL 27 -1.658 -2.589 -0.178 196 HG23 VAL 27 2HG2 VAL 27 -0.387 -2.933 1.040 197 H GLN 28 H GLN 28 -3.858 -6.910 0.058 198 HA GLN 28 HA GLN 28 -2.416 -9.350 0.641 199 HB2 GLN 28 1HB GLN 28 -4.492 -10.437 -0.239 200 HB3 GLN 28 2HB GLN 28 -4.721 -9.320 1.084 201 HG2 GLN 28 1HG GLN 28 -5.563 -7.617 -0.490 202 HG3 GLN 28 2HG GLN 28 -5.252 -8.769 -1.833 203 HE21 GLN 28 1HE2 GLN 28 -6.996 -8.584 1.324 204 HE22 GLN 28 2HE2 GLN 28 -8.108 -9.848 0.913 205 HA PRO 29 HA PRO 29 -0.359 -10.082 -3.076 206 HB2 PRO 29 1HB PRO 29 -0.610 -12.775 -3.578 207 HB3 PRO 29 2HB PRO 29 0.367 -12.110 -2.235 208 HG2 PRO 29 1HG PRO 29 -2.461 -13.184 -2.145 209 HG3 PRO 29 2HG PRO 29 -1.114 -13.509 -1.006 210 HD2 PRO 29 1HD PRO 29 -3.015 -11.734 -0.450 211 HD3 PRO 29 2HD PRO 29 -1.334 -11.439 0.036 212 H ASN 30 H ASN 30 -0.538 -10.848 -5.312 213 HA ASN 30 HA ASN 30 -1.514 -10.693 -7.352 214 HB2 ASN 30 1HB ASN 30 -3.565 -12.567 -6.164 215 HB3 ASN 30 2HB ASN 30 -2.996 -12.488 -7.826 216 HD21 ASN 30 1HD2 ASN 30 -0.027 -12.443 -7.019 217 HD22 ASN 30 2HD2 ASN 30 0.226 -14.119 -6.573 218 H ILE 31 H ILE 31 -2.483 -8.399 -5.830 219 HA ILE 31 HA ILE 31 -5.214 -8.153 -6.970 220 HB ILE 31 HB ILE 31 -5.387 -8.804 -4.692 221 HG12 ILE 31 1HG1 ILE 31 -6.422 -5.991 -4.750 222 HG13 ILE 31 2HG1 ILE 31 -6.965 -7.154 -5.968 223 HG21 ILE 31 1HG2 ILE 31 -3.685 -8.042 -3.491 224 HG22 ILE 31 2HG2 ILE 31 -3.725 -6.383 -4.147 225 HG23 ILE 31 3HG2 ILE 31 -4.917 -6.921 -2.946 226 HD11 ILE 31 3HD1 ILE 31 -7.200 -7.582 -2.983 227 HD12 ILE 31 1HD1 ILE 31 -8.504 -7.142 -4.106 228 HD13 ILE 31 2HD1 ILE 31 -7.706 -8.716 -4.254 229 H GLY 32 H GLY 32 -2.454 -7.213 -7.803 230 HA2 GLY 32 1HA GLY 32 -2.906 -5.890 -9.759 231 HA3 GLY 32 2HA GLY 32 -3.607 -4.625 -8.750 232 H LEU 33 H LEU 33 -1.708 -4.044 -10.615 233 HA LEU 33 HA LEU 33 0.980 -3.919 -9.693 234 HB2 LEU 33 1HB LEU 33 0.389 -3.776 -12.049 235 HB3 LEU 33 2HB LEU 33 -0.580 -2.322 -11.749 236 HG LEU 33 HG LEU 33 1.559 -1.131 -11.036 237 HD11 LEU 33 1HD1 LEU 33 2.989 -3.014 -10.480 238 HD12 LEU 33 2HD1 LEU 33 3.685 -2.119 -11.828 239 HD13 LEU 33 3HD1 LEU 33 2.857 -3.659 -12.141 240 HD21 LEU 33 3HD2 LEU 33 2.346 -0.802 -13.314 241 HD22 LEU 33 1HD2 LEU 33 0.579 -0.807 -13.230 242 HD23 LEU 33 2HD2 LEU 33 1.438 -2.238 -13.844 243 H LEU 34 H LEU 34 1.790 -2.780 -8.116 244 HA LEU 34 HA LEU 34 0.606 -0.254 -7.199 245 HB2 LEU 34 1HB LEU 34 3.192 -1.710 -6.489 246 HB3 LEU 34 2HB LEU 34 2.634 -0.200 -5.757 247 HG LEU 34 HG LEU 34 0.467 -2.091 -5.642 248 HD11 LEU 34 1HD1 LEU 34 3.034 -3.302 -4.569 249 HD12 LEU 34 2HD1 LEU 34 2.027 -3.896 -5.884 250 HD13 LEU 34 3HD1 LEU 34 1.361 -3.888 -4.256 251 HD21 LEU 34 3HD2 LEU 34 0.550 -1.780 -3.277 252 HD22 LEU 34 1HD2 LEU 34 0.979 -0.229 -4.024 253 HD23 LEU 34 2HD2 LEU 34 2.237 -1.243 -3.328 254 H TYR 35 H TYR 35 0.670 1.120 -8.984 255 HA TYR 35 HA TYR 35 2.936 1.210 -10.775 256 HB2 TYR 35 1HB TYR 35 1.656 2.817 -11.990 257 HB3 TYR 35 2HB TYR 35 0.569 1.537 -11.497 258 HD1 TYR 35 1HD TYR 35 1.482 5.079 -11.171 259 HD2 TYR 35 2HD TYR 35 -1.217 2.007 -9.802 260 HE1 TYR 35 1HE TYR 35 0.150 6.796 -10.035 261 HE2 TYR 35 2HE TYR 35 -2.567 3.718 -8.649 262 HH TYR 35 HH TYR 35 -1.758 7.217 -8.790 263 H ASP 36 H ASP 36 3.673 3.624 -11.378 264 HA ASP 36 HA ASP 36 5.406 4.400 -9.261 265 HB2 ASP 36 1HB ASP 36 6.246 4.641 -11.379 266 HB3 ASP 36 2HB ASP 36 4.821 5.500 -11.998 267 H GLY 37 H GLY 37 5.279 5.828 -7.719 268 HA2 GLY 37 1HA GLY 37 4.522 7.617 -6.437 269 HA3 GLY 37 2HA GLY 37 3.780 8.275 -7.894 270 H MET 38 H MET 38 2.926 5.055 -6.904 271 HA MET 38 HA MET 38 0.254 5.155 -7.007 272 HB2 MET 38 1HB MET 38 2.238 3.394 -5.863 273 HB3 MET 38 2HB MET 38 0.922 3.484 -4.710 274 HG2 MET 38 1HG MET 38 0.471 2.952 -7.646 275 HG3 MET 38 2HG MET 38 0.854 1.706 -6.465 276 HE1 MET 38 3HE MET 38 -2.120 0.970 -4.427 277 HE2 MET 38 1HE MET 38 -0.786 0.270 -5.347 278 HE3 MET 38 2HE MET 38 -0.474 1.550 -4.134 279 H PHE 39 H PHE 39 2.125 6.179 -4.246 280 HA PHE 39 HA PHE 39 -0.291 6.608 -2.572 281 HB2 PHE 39 1HB PHE 39 2.629 6.235 -1.816 282 HB3 PHE 39 2HB PHE 39 1.263 6.326 -0.710 283 HD1 PHE 39 1HD PHE 39 -0.555 4.491 -0.843 284 HD2 PHE 39 2HD PHE 39 3.319 4.101 -2.738 285 HE1 PHE 39 1HE PHE 39 -0.784 2.015 -0.882 286 HE2 PHE 39 2HE PHE 39 3.127 1.698 -2.677 287 HZ PHE 39 HZ PHE 39 1.062 0.599 -1.744 288 H SER 40 H SER 40 1.254 8.527 -4.623 289 HA SER 40 HA SER 40 2.655 10.447 -3.313 290 HB2 SER 40 1HB SER 40 2.389 10.274 -5.738 291 HB3 SER 40 2HB SER 40 0.719 10.865 -5.596 292 HG SER 40 HG SER 40 1.934 12.593 -6.063 293 H GLY 41 H GLY 41 2.257 11.706 -1.573 294 HA2 GLY 41 1HA GLY 41 1.247 13.380 -0.374 295 HA3 GLY 41 2HA GLY 41 -0.029 13.489 -1.571 296 H CYS 42 H CYS 42 0.584 10.306 -0.231 297 HA CYS 42 HA CYS 42 -1.689 10.421 1.639 298 HB2 CYS 42 1HB CYS 42 0.489 8.336 1.271 299 HB3 CYS 42 2HB CYS 42 -0.950 8.208 2.296 300 HG CYS 42 HG CYS 42 -0.842 8.687 -0.929 301 H THR 43 H THR 43 -0.969 12.369 2.730 302 HA THR 43 HA THR 43 1.690 12.708 3.693 303 HB THR 43 HB THR 43 0.559 14.827 4.647 304 HG1 THR 43 1HG THR 43 -1.478 15.236 3.662 305 HG21 THR 43 3HG2 THR 43 1.752 14.742 2.464 306 HG22 THR 43 1HG2 THR 43 0.397 15.882 2.464 307 HG23 THR 43 2HG2 THR 43 0.235 14.316 1.658 308 H ALA 44 H ALA 44 -0.886 10.950 4.999 309 HA ALA 44 HA ALA 44 0.770 10.624 7.384 310 HB1 ALA 44 1HB ALA 44 -1.053 12.050 8.197 311 HB2 ALA 44 2HB ALA 44 -2.252 10.912 7.551 312 HB3 ALA 44 3HB ALA 44 -1.145 10.407 8.855 313 H LEU 45 H LEU 45 1.354 9.185 5.673 314 HA LEU 45 HA LEU 45 0.239 6.444 6.042 315 HB2 LEU 45 1HB LEU 45 -0.371 6.941 3.817 316 HB3 LEU 45 2HB LEU 45 1.227 7.639 3.473 317 HG LEU 45 HG LEU 45 2.267 5.395 3.723 318 HD11 LEU 45 1HD1 LEU 45 0.800 3.381 3.726 319 HD12 LEU 45 2HD1 LEU 45 -0.604 4.436 4.011 320 HD13 LEU 45 3HD1 LEU 45 0.664 4.276 5.234 321 HD21 LEU 45 3HD2 LEU 45 1.394 4.490 1.611 322 HD22 LEU 45 1HD2 LEU 45 1.649 6.242 1.551 323 HD23 LEU 45 2HD2 LEU 45 0.003 5.603 1.718 324 H GLU 46 H GLU 46 1.792 5.192 7.051 325 HA GLU 46 HA GLU 46 4.520 5.438 6.062 326 HB2 GLU 46 1HB GLU 46 3.989 5.724 9.026 327 HB3 GLU 46 2HB GLU 46 5.554 5.375 8.317 328 HG2 GLU 46 1HG GLU 46 5.223 7.483 6.871 329 HG3 GLU 46 2HG GLU 46 3.914 7.874 8.001 330 H LYS 47 H LYS 47 1.985 3.379 7.588 331 HA LYS 47 HA LYS 47 3.964 1.152 7.519 332 HB2 LYS 47 1HB LYS 47 1.337 1.610 8.960 333 HB3 LYS 47 2HB LYS 47 1.764 -0.020 8.459 334 HG2 LYS 47 1HG LYS 47 4.098 0.632 9.590 335 HG3 LYS 47 2HG LYS 47 3.114 1.739 10.498 336 HD2 LYS 47 1HD LYS 47 1.854 0.026 11.527 337 HD3 LYS 47 2HD LYS 47 2.233 -1.140 10.263 338 HE2 LYS 47 1HE LYS 47 4.621 -1.127 10.985 339 HE3 LYS 47 2HE LYS 47 4.190 -0.094 12.355 340 HZ1 LYS 47 3HZ LYS 47 3.117 -2.829 11.868 341 HZ2 LYS 47 1HZ LYS 47 2.780 -1.891 13.167 342 HZ3 LYS 47 2HZ LYS 47 4.284 -2.451 12.958 343 H LEU 48 H LEU 48 3.701 -0.602 6.340 344 HA LEU 48 HA LEU 48 1.359 -0.897 4.557 345 HB2 LEU 48 1HB LEU 48 3.667 -0.270 3.389 346 HB3 LEU 48 2HB LEU 48 4.139 -1.864 3.821 347 HG LEU 48 HG LEU 48 1.795 -2.524 2.648 348 HD11 LEU 48 1HD1 LEU 48 2.663 -0.051 1.095 349 HD12 LEU 48 2HD1 LEU 48 1.305 -0.072 2.211 350 HD13 LEU 48 3HD1 LEU 48 1.284 -1.116 0.767 351 HD21 LEU 48 3HD2 LEU 48 2.949 -2.831 0.505 352 HD22 LEU 48 1HD2 LEU 48 3.947 -3.393 1.839 353 HD23 LEU 48 2HD2 LEU 48 4.308 -1.857 1.066 354 H ILE 49 H ILE 49 0.705 -3.161 4.492 355 HA ILE 49 HA ILE 49 2.279 -5.106 6.059 356 HB ILE 49 HB ILE 49 -0.755 -4.861 6.242 357 HG12 ILE 49 1HG1 ILE 49 0.053 -4.566 8.779 358 HG13 ILE 49 2HG1 ILE 49 1.428 -3.838 8.011 359 HG21 ILE 49 1HG2 ILE 49 0.170 -7.201 6.424 360 HG22 ILE 49 2HG2 ILE 49 1.162 -6.660 7.797 361 HG23 ILE 49 3HG2 ILE 49 -0.604 -6.637 7.897 362 HD11 ILE 49 3HD1 ILE 49 -0.020 -2.115 6.969 363 HD12 ILE 49 1HD1 ILE 49 -1.452 -2.925 7.628 364 HD13 ILE 49 2HD1 ILE 49 -0.261 -2.176 8.716 365 H LEU 50 H LEU 50 2.290 -7.087 5.044 366 HA LEU 50 HA LEU 50 0.729 -7.324 2.517 367 HB2 LEU 50 1HB LEU 50 3.491 -8.457 3.095 368 HB3 LEU 50 2HB LEU 50 2.538 -8.764 1.648 369 HG LEU 50 HG LEU 50 3.826 -6.170 2.522 370 HD11 LEU 50 1HD1 LEU 50 4.957 -6.244 0.396 371 HD12 LEU 50 2HD1 LEU 50 4.060 -7.719 -0.047 372 HD13 LEU 50 3HD1 LEU 50 5.216 -7.743 1.301 373 HD21 LEU 50 3HD2 LEU 50 2.927 -5.128 0.415 374 HD22 LEU 50 1HD2 LEU 50 1.721 -5.374 1.652 375 HD23 LEU 50 2HD2 LEU 50 1.813 -6.505 0.288 376 H THR 51 H THR 51 -0.059 -9.468 2.058 377 HA THR 51 HA THR 51 -0.236 -11.231 4.450 378 HB THR 51 HB THR 51 -2.516 -11.425 4.295 379 HG1 THR 51 1HG THR 51 -3.225 -11.769 2.422 380 HG21 THR 51 3HG2 THR 51 -3.604 -9.286 4.195 381 HG22 THR 51 1HG2 THR 51 -2.257 -8.559 3.305 382 HG23 THR 51 2HG2 THR 51 -2.035 -9.081 4.994 383 H GLY 52 H GLY 52 1.254 -11.081 1.654 384 HA2 GLY 52 1HA GLY 52 0.446 -13.763 0.595 385 HA3 GLY 52 2HA GLY 52 1.535 -12.612 -0.192 386 H GLU 53 H GLU 53 2.539 -15.054 -0.144 387 HA GLU 53 HA GLU 53 4.443 -15.103 2.155 388 HB2 GLU 53 1HB GLU 53 2.994 -17.378 0.784 389 HB3 GLU 53 2HB GLU 53 4.383 -17.588 1.861 390 HG2 GLU 53 1HG GLU 53 3.244 -16.594 3.721 391 HG3 GLU 53 2HG GLU 53 1.858 -16.137 2.728 392 H ASP 54 H ASP 54 4.392 -14.262 -1.034 393 HA ASP 54 HA ASP 54 7.223 -14.988 -1.397 394 HB2 ASP 54 1HB ASP 54 5.740 -16.798 -2.486 395 HB3 ASP 54 2HB ASP 54 5.133 -15.546 -3.551 396 HA PRO 55 HA PRO 55 6.907 -10.781 -2.825 397 HB2 PRO 55 1HB PRO 55 9.299 -10.510 -4.202 398 HB3 PRO 55 2HB PRO 55 9.134 -10.545 -2.430 399 HG2 PRO 55 1HG PRO 55 9.895 -12.814 -4.274 400 HG3 PRO 55 2HG PRO 55 10.639 -12.370 -2.714 401 HD2 PRO 55 1HD PRO 55 8.880 -14.365 -2.867 402 HD3 PRO 55 2HD PRO 55 8.921 -13.267 -1.460 403 H SER 56 H SER 56 7.468 -13.362 -5.142 404 HA SER 56 HA SER 56 7.066 -11.830 -7.552 405 HB2 SER 56 1HB SER 56 6.434 -14.757 -7.483 406 HB3 SER 56 2HB SER 56 7.367 -13.819 -8.659 407 HG SER 56 HG SER 56 8.063 -14.801 -6.093 408 H ALA 57 H ALA 57 4.919 -12.955 -5.091 409 HA ALA 57 HA ALA 57 2.572 -13.257 -6.729 410 HB1 ALA 57 1HB ALA 57 1.425 -13.478 -4.596 411 HB2 ALA 57 2HB ALA 57 2.978 -14.324 -4.462 412 HB3 ALA 57 3HB ALA 57 2.771 -12.716 -3.730 413 H TYR 58 H TYR 58 4.333 -10.507 -6.184 414 HA TYR 58 HA TYR 58 1.979 -8.692 -6.264 415 HB2 TYR 58 1HB TYR 58 4.575 -8.461 -4.713 416 HB3 TYR 58 2HB TYR 58 3.505 -7.106 -4.997 417 HD1 TYR 58 1HD TYR 58 3.746 -10.430 -3.276 418 HD2 TYR 58 2HD TYR 58 1.591 -6.713 -3.668 419 HE1 TYR 58 1HE TYR 58 2.541 -10.912 -1.187 420 HE2 TYR 58 2HE TYR 58 0.409 -7.174 -1.561 421 HH TYR 58 HH TYR 58 0.165 -8.561 0.189 422 H SER 59 H SER 59 2.607 -6.528 -7.192 423 HA SER 59 HA SER 59 4.673 -6.694 -9.318 424 HB2 SER 59 1HB SER 59 1.880 -5.705 -9.693 425 HB3 SER 59 2HB SER 59 3.079 -5.960 -10.949 426 HG SER 59 HG SER 59 2.772 -8.050 -10.891 427 H ALA 60 H ALA 60 5.759 -4.929 -9.162 428 HA ALA 60 HA ALA 60 4.715 -2.482 -7.753 429 HB1 ALA 60 1HB ALA 60 7.232 -4.139 -7.420 430 HB2 ALA 60 2HB ALA 60 7.259 -2.433 -6.986 431 HB3 ALA 60 3HB ALA 60 6.104 -3.538 -6.192 432 H GLY 61 H GLY 61 5.811 -3.479 -10.677 433 HA2 GLY 61 1HA GLY 61 6.322 -2.438 -12.642 434 HA3 GLY 61 2HA GLY 61 5.892 -0.900 -11.861 435 H ASP 62 H ASP 62 7.449 0.352 -11.100 436 HA ASP 62 HA ASP 62 10.031 -0.648 -10.242 437 HB2 ASP 62 1HB ASP 62 10.453 -0.060 -12.630 438 HB3 ASP 62 2HB ASP 62 9.983 1.597 -12.277 439 H GLY 63 H GLY 63 7.366 1.404 -10.004 440 HA2 GLY 63 1HA GLY 63 8.792 3.598 -8.513 441 HA3 GLY 63 2HA GLY 63 7.383 3.795 -9.506 442 H LEU 64 H LEU 64 7.537 1.044 -7.384 443 HA LEU 64 HA LEU 64 5.122 1.178 -6.219 444 HB2 LEU 64 1HB LEU 64 6.497 -0.720 -5.982 445 HB3 LEU 64 2HB LEU 64 7.801 0.205 -5.215 446 HG LEU 64 HG LEU 64 6.481 0.445 -3.149 447 HD11 LEU 64 1HD1 LEU 64 4.197 0.227 -4.048 448 HD12 LEU 64 2HD1 LEU 64 4.513 -0.946 -2.764 449 HD13 LEU 64 3HD1 LEU 64 4.540 -1.470 -4.469 450 HD21 LEU 64 3HD2 LEU 64 8.116 -1.336 -3.357 451 HD22 LEU 64 1HD2 LEU 64 6.927 -2.378 -4.132 452 HD23 LEU 64 2HD2 LEU 64 6.714 -1.900 -2.430 453 H ARG 65 H ARG 65 8.026 2.945 -4.855 454 HA ARG 65 HA ARG 65 6.308 3.962 -2.683 455 HB2 ARG 65 1HB ARG 65 7.416 2.010 -1.875 456 HB3 ARG 65 2HB ARG 65 8.929 2.428 -2.664 457 HG2 ARG 65 1HG ARG 65 9.283 4.213 -1.133 458 HG3 ARG 65 2HG ARG 65 7.754 3.884 -0.294 459 HD2 ARG 65 1HD ARG 65 8.742 2.336 1.018 460 HD3 ARG 65 2HD ARG 65 9.385 1.487 -0.388 461 HE ARG 65 HE ARG 65 11.391 2.525 -0.208 462 HH11 ARG 65 1HH1 ARG 65 9.458 3.826 2.415 463 HH12 ARG 65 2HH1 ARG 65 10.358 5.319 2.563 464 HH21 ARG 65 1HH2 ARG 65 12.629 4.451 -0.056 465 HH22 ARG 65 2HH2 ARG 65 12.303 5.585 1.219 466 H ASP 66 H ASP 66 6.424 5.459 -4.806 467 HA ASP 66 HA ASP 66 8.378 7.575 -4.034 468 HB2 ASP 66 1HB ASP 66 8.667 6.944 -6.401 469 HB3 ASP 66 2HB ASP 66 6.956 7.269 -6.702 470 H GLY 67 H GLY 67 7.442 9.673 -3.736 471 HA2 GLY 67 1HA GLY 67 5.843 11.227 -3.476 472 HA3 GLY 67 2HA GLY 67 4.641 10.098 -4.090 473 H ALA 68 H ALA 68 5.825 8.310 -1.669 474 HA ALA 68 HA ALA 68 5.174 9.805 0.686 475 HB1 ALA 68 1HB ALA 68 3.606 7.257 0.104 476 HB2 ALA 68 2HB ALA 68 3.643 8.113 1.654 477 HB3 ALA 68 3HB ALA 68 2.922 8.899 0.246 478 H ASP 69 H ASP 69 5.830 8.383 2.635 479 HA ASP 69 HA ASP 69 8.165 6.697 1.871 480 HB2 ASP 69 1HB ASP 69 8.995 8.887 2.260 481 HB3 ASP 69 2HB ASP 69 8.007 9.079 3.717 482 H PHE 70 H PHE 70 6.948 4.897 2.355 483 HA PHE 70 HA PHE 70 6.232 4.499 5.210 484 HB2 PHE 70 1HB PHE 70 4.607 2.878 4.414 485 HB3 PHE 70 2HB PHE 70 4.383 4.424 3.621 486 HD1 PHE 70 1HD PHE 70 5.678 0.940 3.226 487 HD2 PHE 70 2HD PHE 70 4.632 4.624 1.205 488 HE1 PHE 70 1HE PHE 70 5.657 -0.233 1.083 489 HE2 PHE 70 2HE PHE 70 4.704 3.443 -0.963 490 HZ PHE 70 HZ PHE 70 5.129 1.003 -1.051 491 H LEU 71 H LEU 71 6.225 2.125 5.805 492 HA LEU 71 HA LEU 71 8.777 0.762 5.130 493 HB2 LEU 71 1HB LEU 71 8.572 2.039 7.367 494 HB3 LEU 71 2HB LEU 71 7.284 0.934 7.785 495 HG LEU 71 HG LEU 71 8.973 -0.978 7.564 496 HD11 LEU 71 1HD1 LEU 71 11.339 -0.406 7.631 497 HD12 LEU 71 2HD1 LEU 71 10.969 1.336 7.551 498 HD13 LEU 71 3HD1 LEU 71 10.615 0.294 6.175 499 HD21 LEU 71 3HD2 LEU 71 8.411 -0.149 9.782 500 HD22 LEU 71 1HD2 LEU 71 9.527 1.216 9.619 501 HD23 LEU 71 2HD2 LEU 71 10.145 -0.452 9.718 502 H ILE 72 H ILE 72 8.622 -1.601 5.373 503 HA ILE 72 HA ILE 72 6.008 -2.592 4.425 504 HB ILE 72 HB ILE 72 8.747 -3.527 3.705 505 HG12 ILE 72 1HG1 ILE 72 6.967 -1.963 1.782 506 HG13 ILE 72 2HG1 ILE 72 8.075 -1.105 2.869 507 HG21 ILE 72 1HG2 ILE 72 7.654 -4.764 1.900 508 HG22 ILE 72 2HG2 ILE 72 6.948 -5.228 3.445 509 HG23 ILE 72 3HG2 ILE 72 6.077 -4.113 2.372 510 HD11 ILE 72 3HD1 ILE 72 9.928 -2.586 2.080 511 HD12 ILE 72 1HD1 ILE 72 8.815 -3.176 0.815 512 HD13 ILE 72 2HD1 ILE 72 9.286 -1.465 0.882 513 H CYS 73 H CYS 73 5.052 -3.821 6.061 514 HA CYS 73 HA CYS 73 6.793 -5.676 7.598 515 HB2 CYS 73 1HB CYS 73 3.842 -5.092 7.756 516 HB3 CYS 73 2HB CYS 73 4.441 -6.704 8.185 517 HG CYS 73 HG CYS 73 5.393 -3.808 9.418 518 H VAL 74 H VAL 74 6.813 -7.912 7.291 519 HA VAL 74 HA VAL 74 5.075 -9.128 5.266 520 HB VAL 74 HB VAL 74 6.985 -10.534 4.452 521 HG11 VAL 74 1HG1 VAL 74 6.139 -8.614 3.147 522 HG12 VAL 74 2HG1 VAL 74 7.394 -7.586 3.865 523 HG13 VAL 74 3HG1 VAL 74 7.852 -8.966 2.856 524 HG21 VAL 74 3HG2 VAL 74 8.779 -8.500 5.832 525 HG22 VAL 74 1HG2 VAL 74 8.631 -10.226 6.231 526 HG23 VAL 74 2HG2 VAL 74 9.296 -9.724 4.665 527 HA PRO 75 HA PRO 75 5.162 -12.132 8.663 528 HB2 PRO 75 1HB PRO 75 4.890 -14.574 7.459 529 HB3 PRO 75 2HB PRO 75 3.527 -13.429 7.600 530 HG2 PRO 75 1HG PRO 75 5.338 -13.888 5.227 531 HG3 PRO 75 2HG PRO 75 3.561 -13.758 5.240 532 HD2 PRO 75 1HD PRO 75 5.176 -11.651 4.593 533 HD3 PRO 75 2HD PRO 75 3.644 -11.404 5.460 534 H GLU 76 H GLU 76 6.822 -13.277 9.663 535 HA GLU 76 HA GLU 76 9.466 -13.140 8.833 536 HB2 GLU 76 1HB GLU 76 9.989 -14.887 10.469 537 HB3 GLU 76 2HB GLU 76 8.939 -13.631 11.118 538 HG2 GLU 76 1HG GLU 76 7.031 -15.084 11.125 539 HG3 GLU 76 2HG GLU 76 7.824 -16.270 10.098 540 H GLU 77 H GLU 77 7.146 -15.669 8.036 541 HA GLU 77 HA GLU 77 8.786 -17.631 6.966 542 HB2 GLU 77 1HB GLU 77 6.189 -17.381 7.453 543 HB3 GLU 77 2HB GLU 77 6.092 -16.908 5.760 544 HG2 GLU 77 1HG GLU 77 7.207 -19.001 5.108 545 HG3 GLU 77 2HG GLU 77 7.342 -19.472 6.816 546 H ALA 78 H ALA 78 7.489 -14.674 5.448 547 HA ALA 78 HA ALA 78 8.607 -15.426 2.813 548 HB1 ALA 78 1HB ALA 78 7.075 -12.928 3.619 549 HB2 ALA 78 2HB ALA 78 7.390 -13.546 1.983 550 HB3 ALA 78 3HB ALA 78 6.319 -14.442 3.060 551 H LEU 79 H LEU 79 9.739 -13.873 5.643 552 HA LEU 79 HA LEU 79 10.644 -11.435 4.816 553 HB2 LEU 79 1HB LEU 79 10.563 -12.143 7.123 554 HB3 LEU 79 2HB LEU 79 11.872 -13.298 6.855 555 HG LEU 79 HG LEU 79 13.458 -11.458 6.437 556 HD11 LEU 79 1HD1 LEU 79 12.816 -9.105 6.975 557 HD12 LEU 79 2HD1 LEU 79 11.112 -9.609 7.093 558 HD13 LEU 79 3HD1 LEU 79 11.978 -9.708 5.545 559 HD21 LEU 79 3HD2 LEU 79 13.694 -10.817 8.712 560 HD22 LEU 79 1HD2 LEU 79 12.922 -12.401 8.733 561 HD23 LEU 79 2HD2 LEU 79 11.940 -10.963 9.018 562 H ASP 80 H ASP 80 12.713 -14.390 4.790 563 HA ASP 80 HA ASP 80 14.918 -12.869 3.587 564 HB2 ASP 80 1HB ASP 80 15.210 -14.892 5.068 565 HB3 ASP 80 2HB ASP 80 14.621 -15.858 3.705 566 H ARG 81 H ARG 81 12.424 -15.072 2.513 567 HA ARG 81 HA ARG 81 12.867 -15.473 -0.213 568 HB2 ARG 81 1HB ARG 81 10.750 -15.667 1.673 569 HB3 ARG 81 2HB ARG 81 10.094 -14.662 0.405 570 HG2 ARG 81 1HG ARG 81 10.170 -16.335 -1.176 571 HG3 ARG 81 2HG ARG 81 11.453 -17.240 -0.362 572 HD2 ARG 81 1HD ARG 81 8.693 -16.898 0.888 573 HD3 ARG 81 2HD ARG 81 9.074 -18.237 -0.192 574 HE ARG 81 HE ARG 81 11.110 -18.029 1.766 575 HH11 ARG 81 1HH1 ARG 81 7.780 -19.287 1.465 576 HH12 ARG 81 2HH1 ARG 81 7.950 -20.303 2.868 577 HH21 ARG 81 1HH2 ARG 81 11.276 -19.451 3.598 578 HH22 ARG 81 2HH2 ARG 81 9.924 -20.457 3.980 579 H TYR 82 H TYR 82 11.326 -12.645 1.352 580 HA TYR 82 HA TYR 82 11.108 -11.079 -1.011 581 HB2 TYR 82 1HB TYR 82 10.873 -10.649 1.970 582 HB3 TYR 82 2HB TYR 82 11.133 -9.237 0.976 583 HD1 TYR 82 2HD TYR 82 8.961 -12.350 0.714 584 HD2 TYR 82 1HD TYR 82 9.237 -8.066 0.370 585 HE1 TYR 82 2HE TYR 82 6.565 -12.243 0.119 586 HE2 TYR 82 1HE TYR 82 6.900 -7.940 -0.246 587 HH TYR 82 HH TYR 82 4.702 -10.482 0.213 588 H ARG 83 H ARG 83 13.645 -11.229 1.506 589 HA ARG 83 HA ARG 83 15.215 -9.061 0.448 590 HB2 ARG 83 1HB ARG 83 15.880 -11.381 2.290 591 HB3 ARG 83 2HB ARG 83 17.062 -10.168 1.810 592 HG2 ARG 83 1HG ARG 83 15.758 -8.371 2.818 593 HG3 ARG 83 2HG ARG 83 14.452 -9.489 3.227 594 HD2 ARG 83 1HD ARG 83 15.902 -8.973 5.172 595 HD3 ARG 83 2HD ARG 83 15.877 -10.693 4.786 596 HE ARG 83 HE ARG 83 18.046 -10.521 3.765 597 HH11 ARG 83 1HH1 ARG 83 17.339 -8.057 6.161 598 HH12 ARG 83 2HH1 ARG 83 18.717 -7.060 5.794 599 HH21 ARG 83 1HH2 ARG 83 20.156 -9.527 3.634 600 HH22 ARG 83 2HH2 ARG 83 20.526 -8.285 4.765 601 H ARG 84 H ARG 84 14.955 -12.397 -0.641 602 HA ARG 84 HA ARG 84 17.548 -12.177 -2.059 603 HB2 ARG 84 1HB ARG 84 17.649 -14.473 -2.130 604 HB3 ARG 84 2HB ARG 84 17.135 -14.007 -0.514 605 HG2 ARG 84 1HG ARG 84 14.747 -14.518 -1.253 606 HG3 ARG 84 2HG ARG 84 15.450 -15.224 -2.707 607 HD2 ARG 84 1HD ARG 84 16.900 -16.613 -1.050 608 HD3 ARG 84 2HD ARG 84 15.731 -16.114 0.187 609 HE ARG 84 HE ARG 84 14.235 -17.059 -2.016 610 HH11 ARG 84 1HH1 ARG 84 16.333 -18.530 0.507 611 HH12 ARG 84 2HH1 ARG 84 15.459 -20.012 0.444 612 HH21 ARG 84 1HH2 ARG 84 13.227 -18.931 -2.083 613 HH22 ARG 84 2HH2 ARG 84 13.621 -20.261 -1.038 614 H ASP 85 H ASP 85 14.996 -10.788 -2.986 615 HA ASP 85 HA ASP 85 14.300 -12.087 -5.520 616 HB2 ASP 85 1HB ASP 85 12.793 -10.754 -3.858 617 HB3 ASP 85 2HB ASP 85 13.608 -9.317 -4.485 618 H TYR 86 H TYR 86 14.365 -10.725 -7.557 619 HA TYR 86 HA TYR 86 17.022 -9.498 -7.891 620 HB2 TYR 86 1HB TYR 86 16.061 -11.217 -9.464 621 HB3 TYR 86 2HB TYR 86 14.867 -10.018 -9.968 622 HD1 TYR 86 2HD TYR 86 15.559 -7.971 -11.217 623 HD2 TYR 86 1HD TYR 86 18.383 -11.080 -10.215 624 HE1 TYR 86 2HE TYR 86 17.202 -6.970 -12.764 625 HE2 TYR 86 1HE TYR 86 20.043 -10.067 -11.751 626 HH TYR 86 HH TYR 86 19.393 -6.934 -13.365 627 H PHE 87 H PHE 87 13.574 -8.572 -7.871 628 HA PHE 87 HA PHE 87 14.201 -5.845 -8.849 629 HB2 PHE 87 1HB PHE 87 12.327 -7.030 -9.864 630 HB3 PHE 87 2HB PHE 87 11.644 -7.392 -8.287 631 HD1 PHE 87 1HD PHE 87 12.818 -3.902 -8.539 632 HD2 PHE 87 2HD PHE 87 9.571 -6.599 -9.455 633 HE1 PHE 87 1HE PHE 87 11.277 -2.003 -8.657 634 HE2 PHE 87 2HE PHE 87 8.038 -4.673 -9.598 635 HZ PHE 87 HZ PHE 87 8.886 -2.370 -9.131 636 H TRP 88 H TRP 88 12.441 -7.437 -6.154 637 HA TRP 88 HA TRP 88 12.072 -5.059 -4.671 638 HB2 TRP 88 1HB TRP 88 12.021 -7.985 -3.910 639 HB3 TRP 88 2HB TRP 88 11.678 -6.682 -2.766 640 HD1 TRP 88 HD TRP 88 10.004 -8.625 -5.566 641 HE1 TRP 88 1HE TRP 88 7.494 -8.079 -5.493 642 HE3 TRP 88 3HE TRP 88 10.103 -4.834 -2.145 643 HZ2 TRP 88 2HZ TRP 88 5.795 -6.024 -4.334 644 HZ3 TRP 88 3HZ TRP 88 8.014 -3.700 -1.466 645 HH2 TRP 88 HH TRP 88 5.872 -4.261 -2.556 646 H GLN 89 H GLN 89 14.966 -6.860 -4.892 647 HA GLN 89 HA GLN 89 16.208 -6.903 -2.628 648 HB2 GLN 89 1HB GLN 89 18.390 -6.196 -3.779 649 HB3 GLN 89 2HB GLN 89 17.564 -7.752 -3.912 650 HG2 GLN 89 1HG GLN 89 16.487 -7.276 -5.787 651 HG3 GLN 89 2HG GLN 89 16.748 -5.573 -5.512 652 HE21 GLN 89 1HE2 GLN 89 18.310 -8.560 -6.529 653 HE22 GLN 89 2HE2 GLN 89 19.254 -7.737 -7.758 654 H THR 90 H THR 90 16.105 -4.075 -4.543 655 HA THR 90 HA THR 90 17.650 -2.281 -3.029 656 HB THR 90 HB THR 90 17.095 -2.134 -5.389 657 HG1 THR 90 1HG THR 90 16.754 0.007 -5.564 658 HG21 THR 90 3HG2 THR 90 14.722 -2.852 -5.234 659 HG22 THR 90 1HG2 THR 90 15.010 -1.444 -6.267 660 HG23 THR 90 2HG2 THR 90 14.366 -1.202 -4.672 661 H TYR 91 H TYR 91 14.097 -2.876 -2.898 662 HA TYR 91 HA TYR 91 13.570 -0.941 -0.865 663 HB2 TYR 91 1HB TYR 91 11.930 -3.296 -1.862 664 HB3 TYR 91 2HB TYR 91 11.340 -2.043 -0.780 665 HD1 TYR 91 1HD TYR 91 10.960 0.310 -1.573 666 HD2 TYR 91 2HD TYR 91 12.252 -2.836 -4.299 667 HE1 TYR 91 1HE TYR 91 10.793 1.855 -3.495 668 HE2 TYR 91 2HE TYR 91 11.986 -1.303 -6.178 669 HH TYR 91 HH TYR 91 11.930 0.983 -6.739 670 H ALA 92 H ALA 92 15.484 -3.666 -0.412 671 HA ALA 92 HA ALA 92 14.141 -5.117 1.601 672 HB1 ALA 92 1HB ALA 92 16.345 -6.042 2.141 673 HB2 ALA 92 2HB ALA 92 16.128 -5.995 0.384 674 HB3 ALA 92 3HB ALA 92 17.124 -4.750 1.201 675 H ALA 93 H ALA 93 16.056 -2.148 1.698 676 HA ALA 93 HA ALA 93 16.612 -2.287 4.469 677 HB1 ALA 93 1HB ALA 93 17.429 -0.008 4.267 678 HB2 ALA 93 2HB ALA 93 17.953 -0.948 2.862 679 HB3 ALA 93 3HB ALA 93 16.607 0.199 2.720 680 H TRP 94 H TRP 94 13.616 -2.086 3.184 681 HA TRP 94 HA TRP 94 12.534 -0.572 5.484 682 HB2 TRP 94 1HB TRP 94 11.520 -0.654 2.617 683 HB3 TRP 94 2HB TRP 94 10.633 0.033 3.951 684 HD1 TRP 94 HD TRP 94 11.347 2.354 4.898 685 HE1 TRP 94 1HE TRP 94 13.024 4.157 4.232 686 HE3 TRP 94 3HE TRP 94 13.864 -0.212 1.284 687 HZ2 TRP 94 2HZ TRP 94 15.216 4.444 2.364 688 HZ3 TRP 94 3HZ TRP 94 15.778 0.848 0.068 689 HH2 TRP 94 HH TRP 94 16.461 3.158 0.618 690 H ILE 95 H ILE 95 13.069 -3.663 4.668 691 HA ILE 95 HA ILE 95 10.263 -4.597 4.981 692 HB ILE 95 HB ILE 95 12.683 -6.082 3.929 693 HG12 ILE 95 1HG1 ILE 95 10.192 -4.990 2.528 694 HG13 ILE 95 2HG1 ILE 95 11.813 -4.319 2.412 695 HG21 ILE 95 1HG2 ILE 95 11.095 -7.887 3.388 696 HG22 ILE 95 2HG2 ILE 95 11.034 -7.566 5.111 697 HG23 ILE 95 3HG2 ILE 95 9.752 -6.938 4.059 698 HD11 ILE 95 3HD1 ILE 95 12.548 -6.585 1.470 699 HD12 ILE 95 1HD1 ILE 95 10.824 -6.933 1.296 700 HD13 ILE 95 2HD1 ILE 95 11.526 -5.556 0.435 701 H GLN 96 H GLN 96 9.654 -5.174 6.947 702 HA GLN 96 HA GLN 96 11.601 -6.404 8.824 703 HB2 GLN 96 1HB GLN 96 10.051 -5.357 10.641 704 HB3 GLN 96 2HB GLN 96 11.282 -4.350 9.882 705 HG2 GLN 96 1HG GLN 96 9.745 -3.181 8.607 706 HG3 GLN 96 2HG GLN 96 8.488 -4.402 8.734 707 HE21 GLN 96 1HE2 GLN 96 10.134 -3.289 11.754 708 HE22 GLN 96 2HE2 GLN 96 8.690 -2.433 12.285 709 HA PRO 97 HA PRO 97 8.479 -9.594 9.271 710 HB2 PRO 97 1HB PRO 97 9.019 -10.546 11.763 711 HB3 PRO 97 2HB PRO 97 10.125 -10.795 10.386 712 HG2 PRO 97 1HG PRO 97 10.272 -8.635 12.523 713 HG3 PRO 97 2HG PRO 97 11.589 -9.721 11.967 714 HD2 PRO 97 1HD PRO 97 11.255 -7.163 11.016 715 HD3 PRO 97 2HD PRO 97 11.828 -8.496 9.961 716 H MET 98 H MET 98 6.429 -9.819 10.065 717 HA MET 98 HA MET 98 5.066 -7.666 11.312 718 HB2 MET 98 1HB MET 98 4.358 -10.529 10.589 719 HB3 MET 98 2HB MET 98 3.244 -9.587 11.569 720 HG2 MET 98 1HG MET 98 3.439 -7.754 9.827 721 HG3 MET 98 2HG MET 98 4.203 -8.973 8.790 722 HE1 MET 98 3HE MET 98 2.752 -11.577 8.895 723 HE2 MET 98 1HE MET 98 1.332 -11.335 7.849 724 HE3 MET 98 2HE MET 98 2.882 -10.634 7.384 725 H GLU 99 H GLU 99 3.663 -7.896 13.219 726 HA GLU 99 HA GLU 99 4.834 -8.962 15.650 727 HB2 GLU 99 1HB GLU 99 2.938 -7.956 16.742 728 HB3 GLU 99 2HB GLU 99 3.670 -6.815 15.627 729 HG2 GLU 99 1HG GLU 99 1.824 -7.702 13.957 730 HG3 GLU 99 2HG GLU 99 1.002 -8.192 15.443 731 H GLN 100 H GLN 100 2.755 -10.039 16.953 732 HA GLN 100 HA GLN 100 1.528 -12.217 15.467 733 HB2 GLN 100 1HB GLN 100 3.419 -12.717 17.815 734 HB3 GLN 100 2HB GLN 100 2.334 -13.909 17.108 735 HG2 GLN 100 1HG GLN 100 3.578 -13.821 14.981 736 HG3 GLN 100 2HG GLN 100 4.663 -12.592 15.648 737 HE21 GLN 100 1HE2 GLN 100 4.485 -15.907 15.044 738 HE22 GLN 100 2HE2 GLN 100 5.817 -16.303 16.107
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