NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505678 | 2ytk | 10310 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -8.607 -30.088 -5.485 2 HA2 GLY 1 1HA GLY 1 -5.965 -30.293 -6.537 3 HA3 GLY 1 2HA GLY 1 -7.009 -29.390 -7.625 4 H SER 2 H SER 2 -5.174 -27.825 -6.977 5 HA SER 2 HA SER 2 -6.184 -26.194 -4.747 6 HB2 SER 2 1HB SER 2 -3.305 -26.878 -5.359 7 HB3 SER 2 2HB SER 2 -3.774 -25.545 -4.304 8 HG SER 2 HG SER 2 -3.900 -26.992 -2.798 9 H SER 3 H SER 3 -6.560 -24.135 -5.260 10 HA SER 3 HA SER 3 -5.728 -23.203 -7.908 11 HB2 SER 3 1HB SER 3 -7.924 -22.419 -6.015 12 HB3 SER 3 2HB SER 3 -7.403 -21.303 -7.278 13 HG SER 3 HG SER 3 -7.679 -23.433 -8.597 14 H GLY 4 H GLY 4 -3.939 -22.026 -8.014 15 HA2 GLY 4 1HA GLY 4 -3.223 -20.349 -5.694 16 HA3 GLY 4 2HA GLY 4 -2.071 -21.009 -6.846 17 H SER 5 H SER 5 -4.954 -18.911 -6.810 18 HA SER 5 HA SER 5 -3.553 -17.150 -8.714 19 HB2 SER 5 1HB SER 5 -5.635 -16.645 -9.792 20 HB3 SER 5 2HB SER 5 -5.527 -18.402 -9.675 21 HG SER 5 HG SER 5 -7.584 -17.594 -9.040 22 H SER 6 H SER 6 -3.322 -15.083 -8.134 23 HA SER 6 HA SER 6 -4.510 -14.232 -5.601 24 HB2 SER 6 1HB SER 6 -2.804 -12.569 -5.497 25 HB3 SER 6 2HB SER 6 -2.016 -14.045 -6.055 26 HG SER 6 HG SER 6 -1.809 -13.209 -8.037 27 H GLY 7 H GLY 7 -4.900 -11.718 -5.569 28 HA2 GLY 7 1HA GLY 7 -5.634 -9.873 -7.091 29 HA3 GLY 7 2HA GLY 7 -6.591 -11.097 -7.912 30 H SER 8 H SER 8 -8.374 -12.062 -6.763 31 HA SER 8 HA SER 8 -9.962 -10.171 -5.425 32 HB2 SER 8 1HB SER 8 -10.288 -13.181 -5.472 33 HB3 SER 8 2HB SER 8 -11.541 -12.008 -5.068 34 HG SER 8 HG SER 8 -11.522 -12.822 -7.295 35 H GLY 9 H GLY 9 -8.436 -13.139 -4.154 36 HA2 GLY 9 1HA GLY 9 -9.118 -12.715 -1.467 37 HA3 GLY 9 2HA GLY 9 -7.785 -13.712 -2.030 38 H GLU 10 H GLU 10 -5.867 -12.308 -2.878 39 HA GLU 10 HA GLU 10 -4.734 -11.000 -0.714 40 HB2 GLU 10 1HB GLU 10 -4.117 -10.954 -3.655 41 HB3 GLU 10 2HB GLU 10 -3.183 -9.988 -2.521 42 HG2 GLU 10 1HG GLU 10 -3.526 -12.975 -2.389 43 HG3 GLU 10 2HG GLU 10 -2.118 -12.134 -3.034 44 H LYS 11 H LYS 11 -4.032 -8.723 -0.571 45 HA LYS 11 HA LYS 11 -6.292 -6.976 -0.903 46 HB2 LYS 11 1HB LYS 11 -3.635 -6.826 0.427 47 HB3 LYS 11 2HB LYS 11 -4.402 -5.306 -0.015 48 HG2 LYS 11 1HG LYS 11 -5.157 -5.607 2.132 49 HG3 LYS 11 2HG LYS 11 -6.476 -6.308 1.190 50 HD2 LYS 11 1HD LYS 11 -4.252 -8.096 2.027 51 HD3 LYS 11 2HD LYS 11 -5.403 -7.573 3.259 52 HE2 LYS 11 1HE LYS 11 -7.221 -8.545 2.111 53 HE3 LYS 11 2HE LYS 11 -6.278 -8.753 0.636 54 HZ1 LYS 11 3HZ LYS 11 -4.851 -10.314 1.977 55 HZ2 LYS 11 1HZ LYS 11 -6.414 -10.861 1.629 56 HZ3 LYS 11 2HZ LYS 11 -6.049 -10.267 3.170 57 HA PRO 12 HA PRO 12 -5.233 -4.920 -4.631 58 HB2 PRO 12 1HB PRO 12 -5.925 -2.352 -4.085 59 HB3 PRO 12 2HB PRO 12 -7.115 -3.634 -4.339 60 HG2 PRO 12 1HG PRO 12 -6.090 -2.483 -1.773 61 HG3 PRO 12 2HG PRO 12 -7.753 -2.904 -2.226 62 HD2 PRO 12 1HD PRO 12 -6.217 -4.505 -0.674 63 HD3 PRO 12 2HD PRO 12 -7.438 -5.145 -1.792 64 H TYR 13 H TYR 13 -3.701 -4.039 -1.688 65 HA TYR 13 HA TYR 13 -1.670 -2.487 -3.149 66 HB2 TYR 13 1HB TYR 13 -2.173 -2.508 -0.169 67 HB3 TYR 13 2HB TYR 13 -1.090 -1.437 -1.050 68 HD1 TYR 13 HD2 TYR 13 -1.966 0.420 -2.359 69 HD2 TYR 13 HD1 TYR 13 -4.573 -2.153 -0.195 70 HE1 TYR 13 HE2 TYR 13 -3.786 2.054 -2.620 71 HE2 TYR 13 HE1 TYR 13 -6.401 -0.527 -0.450 72 HH TYR 13 HH TYR 13 -6.117 2.478 -1.052 73 H LYS 14 H LYS 14 0.172 -3.498 -3.540 74 HA LYS 14 HA LYS 14 1.293 -5.303 -1.542 75 HB2 LYS 14 1HB LYS 14 0.093 -6.838 -2.947 76 HB3 LYS 14 2HB LYS 14 0.728 -6.084 -4.404 77 HG2 LYS 14 1HG LYS 14 3.039 -6.774 -3.371 78 HG3 LYS 14 2HG LYS 14 2.049 -7.946 -2.497 79 HD2 LYS 14 1HD LYS 14 1.505 -9.103 -4.393 80 HD3 LYS 14 2HD LYS 14 1.629 -7.678 -5.428 81 HE2 LYS 14 1HE LYS 14 4.046 -7.765 -5.310 82 HE3 LYS 14 2HE LYS 14 3.969 -9.114 -4.177 83 HZ1 LYS 14 3HZ LYS 14 4.356 -10.137 -6.196 84 HZ2 LYS 14 1HZ LYS 14 3.352 -9.083 -7.059 85 HZ3 LYS 14 2HZ LYS 14 2.675 -10.265 -6.057 86 H CYS 15 H CYS 15 3.405 -4.961 -1.291 87 HA CYS 15 HA CYS 15 4.778 -2.950 -2.670 88 HB2 CYS 15 1HB CYS 15 5.381 -3.702 -0.403 89 HB3 CYS 15 2HB CYS 15 5.928 -5.240 -1.062 90 H ASN 16 H ASN 16 5.607 -2.931 -4.643 91 HA ASN 16 HA ASN 16 6.078 -5.463 -6.024 92 HB2 ASN 16 1HB ASN 16 5.759 -2.615 -6.939 93 HB3 ASN 16 2HB ASN 16 6.431 -3.840 -8.011 94 HD21 ASN 16 1HD2 ASN 16 5.122 -5.570 -8.671 95 HD22 ASN 16 2HD2 ASN 16 3.398 -5.474 -8.594 96 H GLU 17 H GLU 17 7.909 -4.706 -3.972 97 HA GLU 17 HA GLU 17 10.341 -4.333 -5.591 98 HB2 GLU 17 1HB GLU 17 9.501 -2.998 -3.069 99 HB3 GLU 17 2HB GLU 17 11.200 -3.421 -3.230 100 HG2 GLU 17 1HG GLU 17 9.712 -1.844 -5.307 101 HG3 GLU 17 2HG GLU 17 10.549 -1.096 -3.948 102 H CYS 18 H CYS 18 8.763 -5.919 -2.909 103 HA CYS 18 HA CYS 18 10.947 -7.889 -2.860 104 HB2 CYS 18 1HB CYS 18 10.734 -8.103 -0.444 105 HB3 CYS 18 2HB CYS 18 11.108 -6.436 -0.868 106 H GLY 19 H GLY 19 7.556 -7.228 -2.041 107 HA2 GLY 19 1HA GLY 19 5.966 -8.821 -3.140 108 HA3 GLY 19 2HA GLY 19 6.995 -10.094 -2.500 109 H LYS 20 H LYS 20 5.925 -7.132 -0.887 110 HA LYS 20 HA LYS 20 4.810 -8.788 1.255 111 HB2 LYS 20 1HB LYS 20 6.500 -6.805 1.554 112 HB3 LYS 20 2HB LYS 20 5.058 -5.807 1.416 113 HG2 LYS 20 1HG LYS 20 4.177 -6.563 3.398 114 HG3 LYS 20 2HG LYS 20 5.081 -8.078 3.346 115 HD2 LYS 20 1HD LYS 20 7.098 -6.998 3.975 116 HD3 LYS 20 2HD LYS 20 6.400 -5.397 3.715 117 HE2 LYS 20 1HE LYS 20 5.219 -5.444 5.678 118 HE3 LYS 20 2HE LYS 20 5.103 -7.203 5.692 119 HZ1 LYS 20 3HZ LYS 20 6.665 -6.994 7.277 120 HZ2 LYS 20 1HZ LYS 20 7.185 -5.475 6.741 121 HZ3 LYS 20 2HZ LYS 20 7.728 -6.877 5.966 122 H VAL 21 H VAL 21 2.854 -7.708 2.387 123 HA VAL 21 HA VAL 21 1.000 -6.524 0.453 124 HB VAL 21 HB VAL 21 0.378 -8.992 2.082 125 HG11 VAL 21 1HG1 VAL 21 -1.843 -8.894 1.147 126 HG12 VAL 21 2HG1 VAL 21 -1.497 -7.378 1.982 127 HG13 VAL 21 3HG1 VAL 21 -1.427 -7.452 0.221 128 HG21 VAL 21 3HG2 VAL 21 0.382 -10.211 0.122 129 HG22 VAL 21 1HG2 VAL 21 0.139 -8.786 -0.888 130 HG23 VAL 21 2HG2 VAL 21 1.714 -9.091 -0.157 131 H PHE 22 H PHE 22 -0.302 -5.011 1.314 132 HA PHE 22 HA PHE 22 -0.480 -4.845 4.248 133 HB2 PHE 22 1HB PHE 22 -0.189 -2.480 2.386 134 HB3 PHE 22 2HB PHE 22 -0.252 -2.435 4.144 135 HD1 PHE 22 HD1 PHE 22 1.795 -3.293 1.228 136 HD2 PHE 22 HD2 PHE 22 1.664 -2.993 5.472 137 HE1 PHE 22 HE1 PHE 22 4.246 -3.488 1.314 138 HE2 PHE 22 HE2 PHE 22 4.115 -3.186 5.564 139 HZ PHE 22 HZ PHE 22 5.410 -3.433 3.484 140 H THR 23 H THR 23 -2.316 -3.498 5.000 141 HA THR 23 HA THR 23 -4.690 -4.169 3.472 142 HB THR 23 HB THR 23 -4.748 -4.624 5.852 143 HG1 THR 23 HG1 THR 23 -6.773 -3.999 5.924 144 HG21 THR 23 3HG2 THR 23 -4.730 -2.752 7.484 145 HG22 THR 23 1HG2 THR 23 -4.261 -1.662 6.180 146 HG23 THR 23 2HG2 THR 23 -3.184 -2.972 6.665 147 H GLN 24 H GLN 24 -3.050 -1.275 4.678 148 HA GLN 24 HA GLN 24 -4.911 0.380 3.116 149 HB2 GLN 24 1HB GLN 24 -3.097 1.066 5.429 150 HB3 GLN 24 2HB GLN 24 -3.959 2.273 4.485 151 HG2 GLN 24 1HG GLN 24 -5.081 0.167 6.297 152 HG3 GLN 24 2HG GLN 24 -5.268 1.917 6.390 153 HE21 GLN 24 1HE2 GLN 24 -6.934 2.861 5.374 154 HE22 GLN 24 2HE2 GLN 24 -8.083 2.031 4.387 155 H ASN 25 H ASN 25 -3.780 2.489 2.329 156 HA ASN 25 HA ASN 25 -1.647 1.639 0.569 157 HB2 ASN 25 1HB ASN 25 -3.186 2.960 -0.572 158 HB3 ASN 25 2HB ASN 25 -3.386 4.072 0.779 159 HD21 ASN 25 1HD2 ASN 25 -1.169 3.044 -1.748 160 HD22 ASN 25 2HD2 ASN 25 -0.323 4.546 -1.871 161 H SER 26 H SER 26 -2.105 4.219 2.981 162 HA SER 26 HA SER 26 0.368 5.395 2.926 163 HB2 SER 26 1HB SER 26 -1.678 5.967 4.382 164 HB3 SER 26 2HB SER 26 -1.014 4.816 5.542 165 HG SER 26 HG SER 26 0.312 6.316 6.140 166 H HIS 27 H HIS 27 -0.515 2.299 4.276 167 HA HIS 27 HA HIS 27 1.853 1.889 5.792 168 HB2 HIS 27 1HB HIS 27 -0.134 -0.090 4.659 169 HB3 HIS 27 2HB HIS 27 1.146 -0.501 5.796 170 HD1 HIS 27 HD1 HIS 27 -0.198 -1.078 7.827 171 HD2 HIS 27 HD2 HIS 27 -1.288 2.580 6.186 172 HE1 HIS 27 HE1 HIS 27 -1.803 -0.056 9.471 173 H LEU 28 H LEU 28 0.822 0.745 2.584 174 HA LEU 28 HA LEU 28 3.154 -0.680 1.965 175 HB2 LEU 28 1HB LEU 28 1.277 -1.091 0.627 176 HB3 LEU 28 2HB LEU 28 1.032 0.622 0.293 177 HG LEU 28 HG LEU 28 3.065 0.598 -1.117 178 HD11 LEU 28 1HD1 LEU 28 3.555 -1.830 0.177 179 HD12 LEU 28 2HD1 LEU 28 4.492 -1.099 -1.125 180 HD13 LEU 28 3HD1 LEU 28 3.207 -2.247 -1.501 181 HD21 LEU 28 3HD2 LEU 28 2.076 -0.681 -2.972 182 HD22 LEU 28 1HD2 LEU 28 0.887 0.326 -2.145 183 HD23 LEU 28 2HD2 LEU 28 0.934 -1.412 -1.843 184 H THR 29 H THR 29 2.199 2.559 0.806 185 HA THR 29 HA THR 29 4.486 3.277 -0.511 186 HB THR 29 HB THR 29 2.514 4.706 -0.495 187 HG1 THR 29 HG1 THR 29 4.301 5.856 -1.055 188 HG21 THR 29 3HG2 THR 29 1.952 6.101 1.413 189 HG22 THR 29 1HG2 THR 29 3.283 5.411 2.340 190 HG23 THR 29 2HG2 THR 29 1.912 4.402 1.881 191 H ASN 30 H ASN 30 3.847 3.609 2.967 192 HA ASN 30 HA ASN 30 6.237 4.889 3.661 193 HB2 ASN 30 1HB ASN 30 4.702 4.940 5.381 194 HB3 ASN 30 2HB ASN 30 4.211 3.266 5.135 195 HD21 ASN 30 1HD2 ASN 30 4.991 1.783 6.463 196 HD22 ASN 30 2HD2 ASN 30 6.308 2.007 7.559 197 H HIS 31 H HIS 31 5.416 1.425 3.868 198 HA HIS 31 HA HIS 31 7.730 0.359 4.788 199 HB2 HIS 31 1HB HIS 31 5.976 -1.147 4.338 200 HB3 HIS 31 2HB HIS 31 5.855 -0.640 2.656 201 HD1 HIS 31 HD1 HIS 31 8.631 -2.161 4.786 202 HD2 HIS 31 HD2 HIS 31 6.845 -2.564 1.056 203 HE1 HIS 31 HE1 HIS 31 9.850 -4.049 3.657 204 H TRP 32 H TRP 32 7.079 0.957 1.331 205 HA TRP 32 HA TRP 32 9.312 0.192 0.098 206 HB2 TRP 32 1HB TRP 32 7.630 2.627 -0.239 207 HB3 TRP 32 2HB TRP 32 9.141 2.547 -1.140 208 HD1 TRP 32 HD1 TRP 32 5.997 0.321 -0.626 209 HE1 TRP 32 HE1 TRP 32 5.500 -0.864 -2.856 210 HE3 TRP 32 HE3 TRP 32 9.958 2.043 -3.361 211 HZ2 TRP 32 HZ2 TRP 32 6.636 -1.045 -5.433 212 HZ3 TRP 32 HZ3 TRP 32 10.180 1.316 -5.701 213 HH2 TRP 32 HH2 TRP 32 8.553 -0.197 -6.714 214 H ARG 33 H ARG 33 9.108 2.901 2.314 215 HA ARG 33 HA ARG 33 11.419 4.276 1.875 216 HB2 ARG 33 1HB ARG 33 10.066 3.504 4.449 217 HB3 ARG 33 2HB ARG 33 11.509 4.508 4.440 218 HG2 ARG 33 1HG ARG 33 10.263 6.057 2.878 219 HG3 ARG 33 2HG ARG 33 8.816 5.123 3.264 220 HD2 ARG 33 1HD ARG 33 8.651 6.764 4.844 221 HD3 ARG 33 2HD ARG 33 9.605 5.582 5.739 222 HE ARG 33 HE ARG 33 11.423 6.996 5.634 223 HH11 ARG 33 1HH1 ARG 33 8.874 8.169 3.573 224 HH12 ARG 33 2HH1 ARG 33 9.622 9.709 3.305 225 HH21 ARG 33 1HH2 ARG 33 12.417 9.020 5.289 226 HH22 ARG 33 2HH2 ARG 33 11.638 10.191 4.281 227 H ILE 34 H ILE 34 11.117 1.309 3.817 228 HA ILE 34 HA ILE 34 13.781 1.051 4.570 229 HB ILE 34 HB ILE 34 13.346 -1.281 4.976 230 HG12 ILE 34 1HG1 ILE 34 10.880 -1.999 4.232 231 HG13 ILE 34 2HG1 ILE 34 11.217 -0.854 2.938 232 HG21 ILE 34 1HG2 ILE 34 12.374 0.046 6.637 233 HG22 ILE 34 2HG2 ILE 34 11.076 0.585 5.573 234 HG23 ILE 34 3HG2 ILE 34 11.093 -1.073 6.174 235 HD11 ILE 34 3HD1 ILE 34 11.756 -3.203 2.381 236 HD12 ILE 34 1HD1 ILE 34 13.132 -2.108 2.248 237 HD13 ILE 34 2HD1 ILE 34 12.988 -3.179 3.642 238 H HIS 35 H HIS 35 12.199 0.270 1.551 239 HA HIS 35 HA HIS 35 14.383 -1.250 0.487 240 HB2 HIS 35 1HB HIS 35 11.905 -0.048 -0.738 241 HB3 HIS 35 2HB HIS 35 13.116 -0.886 -1.704 242 HD1 HIS 35 HD1 HIS 35 13.714 -3.340 -0.110 243 HD2 HIS 35 HD2 HIS 35 9.871 -1.801 -0.463 244 HE1 HIS 35 HE1 HIS 35 12.171 -5.268 0.368 245 H THR 36 H THR 36 13.241 2.081 0.178 246 HA THR 36 HA THR 36 15.301 2.802 -1.698 247 HB THR 36 HB THR 36 14.482 5.144 -1.296 248 HG1 THR 36 HG1 THR 36 13.479 5.316 0.576 249 HG21 THR 36 3HG2 THR 36 12.095 3.444 -1.862 250 HG22 THR 36 1HG2 THR 36 13.494 3.338 -2.930 251 HG23 THR 36 2HG2 THR 36 12.675 4.883 -2.700 252 H GLY 37 H GLY 37 17.173 2.142 -0.480 253 HA2 GLY 37 1HA GLY 37 19.104 2.992 0.540 254 HA3 GLY 37 2HA GLY 37 18.145 4.300 1.217 255 H GLU 38 H GLU 38 19.178 3.953 3.242 256 HA GLU 38 HA GLU 38 19.094 3.236 5.409 257 HB2 GLU 38 1HB GLU 38 16.630 2.813 4.793 258 HB3 GLU 38 2HB GLU 38 17.099 1.128 4.618 259 HG2 GLU 38 1HG GLU 38 16.117 1.700 6.825 260 HG3 GLU 38 2HG GLU 38 17.723 0.979 6.908 261 H LYS 39 H LYS 39 21.144 2.377 3.917 262 HA LYS 39 HA LYS 39 22.798 0.821 3.781 263 HB2 LYS 39 1HB LYS 39 21.348 0.029 6.276 264 HB3 LYS 39 2HB LYS 39 22.620 -1.015 5.656 265 HG2 LYS 39 1HG LYS 39 24.185 0.885 5.738 266 HG3 LYS 39 2HG LYS 39 22.905 1.880 6.436 267 HD2 LYS 39 1HD LYS 39 23.834 -0.702 7.675 268 HD3 LYS 39 2HD LYS 39 24.543 0.864 8.074 269 HE2 LYS 39 1HE LYS 39 21.582 0.480 8.224 270 HE3 LYS 39 2HE LYS 39 22.611 -0.103 9.531 271 HZ1 LYS 39 3HZ LYS 39 22.953 2.652 8.582 272 HZ2 LYS 39 1HZ LYS 39 23.214 2.005 10.123 273 HZ3 LYS 39 2HZ LYS 39 21.637 2.296 9.584 274 HA PRO 40 HA PRO 40 19.711 -2.123 1.748 275 HB2 PRO 40 1HB PRO 40 20.169 -1.347 -0.813 276 HB3 PRO 40 2HB PRO 40 18.935 -0.602 0.210 277 HG2 PRO 40 1HG PRO 40 21.697 0.358 -0.429 278 HG3 PRO 40 2HG PRO 40 20.183 1.277 -0.353 279 HD2 PRO 40 1HD PRO 40 21.992 1.281 1.662 280 HD3 PRO 40 2HD PRO 40 20.246 1.433 1.946 281 H SER 41 H SER 41 23.007 -1.391 1.742 282 HA SER 41 HA SER 41 23.719 -3.642 0.016 283 HB2 SER 41 1HB SER 41 24.953 -1.561 -0.340 284 HB3 SER 41 2HB SER 41 25.456 -1.550 1.350 285 HG SER 41 HG SER 41 26.317 -3.777 0.710 286 H GLY 42 H GLY 42 23.170 -5.411 1.278 287 HA2 GLY 42 1HA GLY 42 25.129 -6.280 3.136 288 HA3 GLY 42 2HA GLY 42 23.677 -5.774 3.987 289 HA PRO 43 HA PRO 43 23.246 -10.255 2.841 290 HB2 PRO 43 1HB PRO 43 22.453 -11.060 5.310 291 HB3 PRO 43 2HB PRO 43 24.152 -10.946 4.837 292 HG2 PRO 43 1HG PRO 43 22.490 -9.016 6.410 293 HG3 PRO 43 2HG PRO 43 24.155 -9.553 6.699 294 HD2 PRO 43 1HD PRO 43 23.572 -7.180 5.531 295 HD3 PRO 43 2HD PRO 43 25.027 -8.113 5.124 296 H SER 44 H SER 44 21.401 -10.705 1.833 297 HA SER 44 HA SER 44 19.025 -9.303 2.071 298 HB2 SER 44 1HB SER 44 19.656 -10.801 0.167 299 HB3 SER 44 2HB SER 44 19.278 -12.187 1.190 300 HG SER 44 HG SER 44 17.603 -11.063 -0.327 301 H SER 45 H SER 45 17.207 -9.483 3.276 302 HA SER 45 HA SER 45 17.356 -11.231 5.609 303 HB2 SER 45 1HB SER 45 15.514 -9.850 6.495 304 HB3 SER 45 2HB SER 45 16.883 -8.856 5.997 305 HG SER 45 HG SER 45 14.349 -8.769 5.139 306 H GLY 46 H GLY 46 15.090 -10.414 2.993 307 HA2 GLY 46 1HA GLY 46 13.396 -11.628 2.031 308 HA3 GLY 46 2HA GLY 46 14.211 -13.062 2.638 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -10.413 -10.995 -12.348 2 HA2 GLY 1 1HA GLY 1 -12.312 -10.889 -13.880 3 HA3 GLY 1 2HA GLY 1 -12.485 -12.626 -13.679 4 H SER 2 H SER 2 -14.746 -11.499 -13.315 5 HA SER 2 HA SER 2 -15.069 -11.269 -10.397 6 HB2 SER 2 1HB SER 2 -15.323 -9.073 -11.702 7 HB3 SER 2 2HB SER 2 -16.805 -9.770 -12.357 8 HG SER 2 HG SER 2 -16.463 -9.868 -9.596 9 H SER 3 H SER 3 -15.713 -13.391 -10.148 10 HA SER 3 HA SER 3 -18.121 -14.232 -11.610 11 HB2 SER 3 1HB SER 3 -17.521 -16.517 -11.029 12 HB3 SER 3 2HB SER 3 -16.134 -15.720 -11.771 13 HG SER 3 HG SER 3 -16.575 -16.190 -9.008 14 H GLY 4 H GLY 4 -19.629 -15.656 -10.314 15 HA2 GLY 4 1HA GLY 4 -20.446 -14.199 -7.977 16 HA3 GLY 4 2HA GLY 4 -21.254 -15.597 -8.671 17 H SER 5 H SER 5 -17.944 -15.220 -7.435 18 HA SER 5 HA SER 5 -18.474 -16.714 -5.052 19 HB2 SER 5 1HB SER 5 -17.126 -18.061 -7.388 20 HB3 SER 5 2HB SER 5 -16.844 -18.581 -5.727 21 HG SER 5 HG SER 5 -18.656 -19.557 -7.080 22 H SER 6 H SER 6 -17.072 -16.069 -3.557 23 HA SER 6 HA SER 6 -14.560 -14.824 -4.457 24 HB2 SER 6 1HB SER 6 -16.479 -14.186 -2.270 25 HB3 SER 6 2HB SER 6 -14.769 -13.880 -1.966 26 HG SER 6 HG SER 6 -15.807 -13.006 -4.397 27 H GLY 7 H GLY 7 -12.634 -15.496 -3.650 28 HA2 GLY 7 1HA GLY 7 -12.668 -17.502 -1.496 29 HA3 GLY 7 2HA GLY 7 -11.838 -17.859 -3.003 30 H SER 8 H SER 8 -9.940 -16.701 -3.537 31 HA SER 8 HA SER 8 -8.105 -16.342 -1.539 32 HB2 SER 8 1HB SER 8 -6.825 -14.933 -3.198 33 HB3 SER 8 2HB SER 8 -7.363 -16.495 -3.815 34 HG SER 8 HG SER 8 -9.059 -15.446 -4.868 35 H GLY 9 H GLY 9 -7.086 -14.449 -0.635 36 HA2 GLY 9 1HA GLY 9 -8.870 -12.100 -0.504 37 HA3 GLY 9 2HA GLY 9 -8.184 -12.804 0.952 38 H GLU 10 H GLU 10 -7.240 -11.396 -2.172 39 HA GLU 10 HA GLU 10 -4.680 -10.588 -1.009 40 HB2 GLU 10 1HB GLU 10 -4.076 -9.973 -3.331 41 HB3 GLU 10 2HB GLU 10 -4.538 -11.661 -3.170 42 HG2 GLU 10 1HG GLU 10 -6.717 -11.193 -4.098 43 HG3 GLU 10 2HG GLU 10 -6.344 -9.472 -4.171 44 H LYS 11 H LYS 11 -4.081 -8.493 -0.707 45 HA LYS 11 HA LYS 11 -6.215 -6.528 -0.691 46 HB2 LYS 11 1HB LYS 11 -3.397 -6.565 0.367 47 HB3 LYS 11 2HB LYS 11 -4.348 -5.086 0.338 48 HG2 LYS 11 1HG LYS 11 -5.778 -5.807 1.969 49 HG3 LYS 11 2HG LYS 11 -5.533 -7.512 1.584 50 HD2 LYS 11 1HD LYS 11 -3.070 -6.951 2.396 51 HD3 LYS 11 2HD LYS 11 -3.921 -5.693 3.295 52 HE2 LYS 11 1HE LYS 11 -4.030 -7.388 4.818 53 HE3 LYS 11 2HE LYS 11 -5.511 -7.710 3.916 54 HZ1 LYS 11 3HZ LYS 11 -3.904 -9.174 2.495 55 HZ2 LYS 11 1HZ LYS 11 -4.560 -9.768 3.937 56 HZ3 LYS 11 2HZ LYS 11 -2.974 -9.180 3.908 57 HA PRO 12 HA PRO 12 -5.117 -4.414 -4.381 58 HB2 PRO 12 1HB PRO 12 -5.794 -1.867 -3.728 59 HB3 PRO 12 2HB PRO 12 -6.992 -3.127 -4.051 60 HG2 PRO 12 1HG PRO 12 -5.985 -2.099 -1.426 61 HG3 PRO 12 2HG PRO 12 -7.646 -2.485 -1.914 62 HD2 PRO 12 1HD PRO 12 -6.139 -4.166 -0.419 63 HD3 PRO 12 2HD PRO 12 -7.353 -4.746 -1.577 64 H TYR 13 H TYR 13 -3.382 -4.106 -1.571 65 HA TYR 13 HA TYR 13 -1.393 -2.375 -2.884 66 HB2 TYR 13 1HB TYR 13 -1.988 -2.485 0.080 67 HB3 TYR 13 2HB TYR 13 -0.765 -1.484 -0.694 68 HD1 TYR 13 HD2 TYR 13 -1.412 0.474 -2.011 69 HD2 TYR 13 HD1 TYR 13 -4.327 -1.891 -0.009 70 HE1 TYR 13 HE2 TYR 13 -3.060 2.277 -2.294 71 HE2 TYR 13 HE1 TYR 13 -5.984 -0.095 -0.287 72 HH TYR 13 HH TYR 13 -6.217 1.929 -2.093 73 H LYS 14 H LYS 14 0.218 -3.661 -3.488 74 HA LYS 14 HA LYS 14 1.465 -5.379 -1.486 75 HB2 LYS 14 1HB LYS 14 0.086 -6.985 -2.547 76 HB3 LYS 14 2HB LYS 14 0.409 -6.323 -4.144 77 HG2 LYS 14 1HG LYS 14 2.657 -7.156 -4.099 78 HG3 LYS 14 2HG LYS 14 2.475 -7.674 -2.422 79 HD2 LYS 14 1HD LYS 14 1.111 -9.454 -2.982 80 HD3 LYS 14 2HD LYS 14 0.604 -8.719 -4.505 81 HE2 LYS 14 1HE LYS 14 3.392 -9.724 -3.952 82 HE3 LYS 14 2HE LYS 14 2.142 -10.671 -4.757 83 HZ1 LYS 14 3HZ LYS 14 3.880 -9.189 -6.075 84 HZ2 LYS 14 1HZ LYS 14 2.679 -8.021 -5.840 85 HZ3 LYS 14 2HZ LYS 14 2.310 -9.463 -6.642 86 H CYS 15 H CYS 15 3.529 -4.817 -1.419 87 HA CYS 15 HA CYS 15 4.800 -3.228 -3.361 88 HB2 CYS 15 1HB CYS 15 5.523 -3.239 -1.031 89 HB3 CYS 15 2HB CYS 15 5.999 -4.929 -1.164 90 H ASN 16 H ASN 16 5.989 -3.695 -5.118 91 HA ASN 16 HA ASN 16 6.092 -6.476 -5.973 92 HB2 ASN 16 1HB ASN 16 5.279 -4.956 -7.632 93 HB3 ASN 16 2HB ASN 16 6.646 -3.870 -7.396 94 HD21 ASN 16 1HD2 ASN 16 5.666 -7.005 -8.618 95 HD22 ASN 16 2HD2 ASN 16 7.000 -7.212 -9.696 96 H GLU 17 H GLU 17 8.197 -3.948 -4.861 97 HA GLU 17 HA GLU 17 10.659 -4.747 -5.825 98 HB2 GLU 17 1HB GLU 17 10.110 -2.711 -4.405 99 HB3 GLU 17 2HB GLU 17 10.214 -3.771 -3.006 100 HG2 GLU 17 1HG GLU 17 12.325 -2.919 -3.037 101 HG3 GLU 17 2HG GLU 17 12.555 -4.366 -4.017 102 H CYS 18 H CYS 18 9.243 -5.687 -2.686 103 HA CYS 18 HA CYS 18 11.016 -8.034 -2.681 104 HB2 CYS 18 1HB CYS 18 10.589 -8.126 -0.251 105 HB3 CYS 18 2HB CYS 18 11.287 -6.586 -0.741 106 H GLY 19 H GLY 19 7.673 -7.035 -2.005 107 HA2 GLY 19 1HA GLY 19 5.951 -8.478 -3.079 108 HA3 GLY 19 2HA GLY 19 6.863 -9.843 -2.452 109 H LYS 20 H LYS 20 6.007 -6.803 -0.843 110 HA LYS 20 HA LYS 20 4.877 -8.344 1.360 111 HB2 LYS 20 1HB LYS 20 6.516 -6.265 1.470 112 HB3 LYS 20 2HB LYS 20 5.009 -5.362 1.387 113 HG2 LYS 20 1HG LYS 20 5.208 -5.537 3.639 114 HG3 LYS 20 2HG LYS 20 4.325 -7.033 3.321 115 HD2 LYS 20 1HD LYS 20 6.757 -8.011 3.045 116 HD3 LYS 20 2HD LYS 20 7.186 -6.626 4.052 117 HE2 LYS 20 1HE LYS 20 4.891 -8.319 4.893 118 HE3 LYS 20 2HE LYS 20 6.517 -8.968 5.096 119 HZ1 LYS 20 3HZ LYS 20 5.180 -6.888 6.563 120 HZ2 LYS 20 1HZ LYS 20 6.741 -6.458 6.073 121 HZ3 LYS 20 2HZ LYS 20 6.500 -7.847 7.007 122 H VAL 21 H VAL 21 2.826 -7.719 2.323 123 HA VAL 21 HA VAL 21 0.947 -6.545 0.380 124 HB VAL 21 HB VAL 21 0.411 -8.901 2.194 125 HG11 VAL 21 1HG1 VAL 21 -1.744 -8.413 1.999 126 HG12 VAL 21 2HG1 VAL 21 -1.359 -6.999 1.016 127 HG13 VAL 21 3HG1 VAL 21 -1.607 -8.567 0.248 128 HG21 VAL 21 3HG2 VAL 21 1.822 -9.343 0.167 129 HG22 VAL 21 1HG2 VAL 21 0.303 -10.238 0.224 130 HG23 VAL 21 2HG2 VAL 21 0.454 -8.823 -0.818 131 H PHE 22 H PHE 22 -0.519 -5.113 1.157 132 HA PHE 22 HA PHE 22 -0.785 -4.794 4.055 133 HB2 PHE 22 1HB PHE 22 -0.392 -2.378 2.307 134 HB3 PHE 22 2HB PHE 22 -0.269 -2.500 4.059 135 HD1 PHE 22 HD1 PHE 22 1.377 -3.475 0.891 136 HD2 PHE 22 HD2 PHE 22 1.782 -2.946 5.095 137 HE1 PHE 22 HE1 PHE 22 3.810 -3.780 0.691 138 HE2 PHE 22 HE2 PHE 22 4.216 -3.250 4.901 139 HZ PHE 22 HZ PHE 22 5.233 -3.667 2.698 140 H THR 23 H THR 23 -2.650 -3.521 4.687 141 HA THR 23 HA THR 23 -4.878 -3.974 2.879 142 HB THR 23 HB THR 23 -5.165 -4.636 5.204 143 HG1 THR 23 HG1 THR 23 -7.169 -3.729 5.436 144 HG21 THR 23 3HG2 THR 23 -4.666 -1.720 5.800 145 HG22 THR 23 1HG2 THR 23 -3.706 -3.099 6.334 146 HG23 THR 23 2HG2 THR 23 -5.338 -2.865 6.961 147 H GLN 24 H GLN 24 -3.252 -1.272 4.472 148 HA GLN 24 HA GLN 24 -4.859 0.579 2.839 149 HB2 GLN 24 1HB GLN 24 -3.445 1.061 5.466 150 HB3 GLN 24 2HB GLN 24 -4.256 2.307 4.526 151 HG2 GLN 24 1HG GLN 24 -5.776 -0.122 5.335 152 HG3 GLN 24 2HG GLN 24 -5.461 1.140 6.525 153 HE21 GLN 24 1HE2 GLN 24 -7.736 1.464 6.620 154 HE22 GLN 24 2HE2 GLN 24 -8.542 2.391 5.405 155 H ASN 25 H ASN 25 -3.813 2.327 1.816 156 HA ASN 25 HA ASN 25 -1.361 1.729 0.613 157 HB2 ASN 25 1HB ASN 25 -3.171 3.312 -0.226 158 HB3 ASN 25 2HB ASN 25 -2.499 4.512 0.874 159 HD21 ASN 25 1HD2 ASN 25 -0.056 4.761 0.651 160 HD22 ASN 25 2HD2 ASN 25 0.548 4.853 -0.965 161 H SER 26 H SER 26 -2.124 4.035 3.210 162 HA SER 26 HA SER 26 0.265 5.239 3.646 163 HB2 SER 26 1HB SER 26 -1.618 5.802 5.024 164 HB3 SER 26 2HB SER 26 -1.683 4.175 5.700 165 HG SER 26 HG SER 26 0.080 4.583 6.899 166 H HIS 27 H HIS 27 -0.601 1.943 4.520 167 HA HIS 27 HA HIS 27 1.757 1.403 6.020 168 HB2 HIS 27 1HB HIS 27 -0.039 -0.586 4.620 169 HB3 HIS 27 2HB HIS 27 1.059 -0.912 5.957 170 HD1 HIS 27 HD1 HIS 27 -1.747 -1.725 6.437 171 HD2 HIS 27 HD2 HIS 27 -0.421 2.134 7.221 172 HE1 HIS 27 HE1 HIS 27 -3.368 -0.785 8.113 173 H LEU 28 H LEU 28 0.823 0.921 2.649 174 HA LEU 28 HA LEU 28 3.186 -0.497 1.922 175 HB2 LEU 28 1HB LEU 28 1.283 -0.827 0.569 176 HB3 LEU 28 2HB LEU 28 1.043 0.906 0.353 177 HG LEU 28 HG LEU 28 3.130 0.959 -1.008 178 HD11 LEU 28 1HD1 LEU 28 3.466 -1.623 0.046 179 HD12 LEU 28 2HD1 LEU 28 4.495 -0.783 -1.114 180 HD13 LEU 28 3HD1 LEU 28 3.188 -1.821 -1.684 181 HD21 LEU 28 3HD2 LEU 28 2.096 -0.336 -2.951 182 HD22 LEU 28 1HD2 LEU 28 1.133 0.956 -2.234 183 HD23 LEU 28 2HD2 LEU 28 0.786 -0.727 -1.836 184 H THR 29 H THR 29 2.099 2.744 0.900 185 HA THR 29 HA THR 29 4.327 3.709 -0.276 186 HB THR 29 HB THR 29 2.323 5.064 -0.093 187 HG1 THR 29 HG1 THR 29 4.369 6.507 1.243 188 HG21 THR 29 3HG2 THR 29 1.387 5.804 1.846 189 HG22 THR 29 1HG2 THR 29 2.939 5.949 2.669 190 HG23 THR 29 2HG2 THR 29 2.182 4.367 2.485 191 H ASN 30 H ASN 30 3.804 3.421 3.202 192 HA ASN 30 HA ASN 30 6.192 4.764 3.964 193 HB2 ASN 30 1HB ASN 30 4.171 3.055 5.348 194 HB3 ASN 30 2HB ASN 30 5.719 3.329 6.142 195 HD21 ASN 30 1HD2 ASN 30 6.229 5.358 6.896 196 HD22 ASN 30 2HD2 ASN 30 5.068 6.631 7.011 197 H HIS 31 H HIS 31 5.323 1.323 3.721 198 HA HIS 31 HA HIS 31 7.599 0.113 4.598 199 HB2 HIS 31 1HB HIS 31 5.876 -1.330 3.948 200 HB3 HIS 31 2HB HIS 31 5.725 -0.588 2.358 201 HD1 HIS 31 HD1 HIS 31 7.813 -3.042 4.278 202 HD2 HIS 31 HD2 HIS 31 7.406 -1.616 0.397 203 HE1 HIS 31 HE1 HIS 31 9.189 -4.586 2.846 204 H TRP 32 H TRP 32 7.044 0.994 1.184 205 HA TRP 32 HA TRP 32 9.341 0.375 -0.015 206 HB2 TRP 32 1HB TRP 32 7.600 2.782 -0.253 207 HB3 TRP 32 2HB TRP 32 9.142 2.799 -1.104 208 HD1 TRP 32 HD1 TRP 32 6.037 0.476 -0.846 209 HE1 TRP 32 HE1 TRP 32 5.649 -0.579 -3.161 210 HE3 TRP 32 HE3 TRP 32 10.056 2.444 -3.318 211 HZ2 TRP 32 HZ2 TRP 32 6.884 -0.578 -5.699 212 HZ3 TRP 32 HZ3 TRP 32 10.382 1.866 -5.687 213 HH2 TRP 32 HH2 TRP 32 8.828 0.386 -6.852 214 H ARG 33 H ARG 33 8.982 2.896 2.388 215 HA ARG 33 HA ARG 33 11.191 4.430 2.165 216 HB2 ARG 33 1HB ARG 33 10.039 3.183 4.660 217 HB3 ARG 33 2HB ARG 33 11.305 4.403 4.700 218 HG2 ARG 33 1HG ARG 33 8.845 5.008 3.156 219 HG3 ARG 33 2HG ARG 33 8.750 5.026 4.918 220 HD2 ARG 33 1HD ARG 33 9.359 7.192 4.562 221 HD3 ARG 33 2HD ARG 33 10.960 6.459 4.653 222 HE ARG 33 HE ARG 33 10.247 6.353 2.000 223 HH11 ARG 33 1HH1 ARG 33 10.666 8.841 4.399 224 HH12 ARG 33 2HH1 ARG 33 11.143 10.049 3.252 225 HH21 ARG 33 1HH2 ARG 33 10.874 7.934 0.480 226 HH22 ARG 33 2HH2 ARG 33 11.261 9.532 1.023 227 H ILE 34 H ILE 34 11.154 1.240 3.753 228 HA ILE 34 HA ILE 34 13.869 1.095 4.360 229 HB ILE 34 HB ILE 34 13.592 -1.322 4.492 230 HG12 ILE 34 1HG1 ILE 34 11.060 -2.019 3.965 231 HG13 ILE 34 2HG1 ILE 34 11.233 -0.731 2.778 232 HG21 ILE 34 1HG2 ILE 34 11.592 0.524 5.655 233 HG22 ILE 34 2HG2 ILE 34 11.293 -1.203 5.838 234 HG23 ILE 34 3HG2 ILE 34 12.790 -0.498 6.448 235 HD11 ILE 34 3HD1 ILE 34 11.753 -2.817 1.742 236 HD12 ILE 34 1HD1 ILE 34 13.243 -1.888 1.904 237 HD13 ILE 34 2HD1 ILE 34 12.907 -3.217 3.014 238 H HIS 35 H HIS 35 12.162 0.425 1.372 239 HA HIS 35 HA HIS 35 14.363 -0.838 0.061 240 HB2 HIS 35 1HB HIS 35 11.751 0.317 -0.893 241 HB3 HIS 35 2HB HIS 35 12.955 -0.290 -2.026 242 HD1 HIS 35 HD1 HIS 35 13.840 -2.866 -0.805 243 HD2 HIS 35 HD2 HIS 35 9.878 -1.619 -0.731 244 HE1 HIS 35 HE1 HIS 35 12.482 -4.960 -0.496 245 H THR 36 H THR 36 13.083 2.448 0.181 246 HA THR 36 HA THR 36 14.979 3.453 -1.740 247 HB THR 36 HB THR 36 14.091 5.680 -1.146 248 HG1 THR 36 HG1 THR 36 13.636 5.253 1.070 249 HG21 THR 36 3HG2 THR 36 12.695 3.541 -2.351 250 HG22 THR 36 1HG2 THR 36 12.472 5.269 -2.620 251 HG23 THR 36 2HG2 THR 36 11.523 4.439 -1.387 252 H GLY 37 H GLY 37 16.961 2.771 -0.743 253 HA2 GLY 37 1HA GLY 37 18.491 4.633 0.449 254 HA3 GLY 37 2HA GLY 37 17.679 3.905 1.827 255 H GLU 38 H GLU 38 17.616 1.262 1.184 256 HA GLU 38 HA GLU 38 20.365 0.522 1.602 257 HB2 GLU 38 1HB GLU 38 18.242 -0.509 2.679 258 HB3 GLU 38 2HB GLU 38 18.121 -1.429 1.186 259 HG2 GLU 38 1HG GLU 38 20.200 -2.497 1.570 260 HG3 GLU 38 2HG GLU 38 20.586 -1.408 2.902 261 H LYS 39 H LYS 39 20.174 1.668 -0.873 262 HA LYS 39 HA LYS 39 20.746 -0.621 -2.622 263 HB2 LYS 39 1HB LYS 39 18.462 0.440 -3.060 264 HB3 LYS 39 2HB LYS 39 19.345 1.852 -3.625 265 HG2 LYS 39 1HG LYS 39 20.132 0.783 -5.498 266 HG3 LYS 39 2HG LYS 39 19.991 -0.820 -4.774 267 HD2 LYS 39 1HD LYS 39 17.461 -0.401 -4.811 268 HD3 LYS 39 2HD LYS 39 17.829 0.925 -5.917 269 HE2 LYS 39 1HE LYS 39 18.988 -0.681 -7.395 270 HE3 LYS 39 2HE LYS 39 18.515 -1.987 -6.309 271 HZ1 LYS 39 3HZ LYS 39 16.149 -0.986 -6.742 272 HZ2 LYS 39 1HZ LYS 39 16.841 -2.083 -7.828 273 HZ3 LYS 39 2HZ LYS 39 16.873 -0.425 -8.164 274 HA PRO 40 HA PRO 40 24.040 2.753 -2.534 275 HB2 PRO 40 1HB PRO 40 26.034 1.208 -1.529 276 HB3 PRO 40 2HB PRO 40 24.920 2.124 -0.506 277 HG2 PRO 40 1HG PRO 40 24.869 -0.778 -1.236 278 HG3 PRO 40 2HG PRO 40 24.579 -0.015 0.338 279 HD2 PRO 40 1HD PRO 40 22.566 -0.855 -1.266 280 HD3 PRO 40 2HD PRO 40 22.409 0.552 -0.195 281 H SER 41 H SER 41 23.285 -0.050 -4.097 282 HA SER 41 HA SER 41 25.771 -0.314 -5.584 283 HB2 SER 41 1HB SER 41 24.879 -2.291 -6.492 284 HB3 SER 41 2HB SER 41 24.241 -2.262 -4.849 285 HG SER 41 HG SER 41 22.335 -1.244 -5.811 286 H GLY 42 H GLY 42 25.893 -0.100 -7.876 287 HA2 GLY 42 1HA GLY 42 25.003 0.573 -9.985 288 HA3 GLY 42 2HA GLY 42 23.718 1.420 -9.136 289 HA PRO 43 HA PRO 43 27.235 4.316 -10.433 290 HB2 PRO 43 1HB PRO 43 25.871 5.693 -12.333 291 HB3 PRO 43 2HB PRO 43 26.814 4.242 -12.690 292 HG2 PRO 43 1HG PRO 43 23.863 4.530 -12.283 293 HG3 PRO 43 2HG PRO 43 24.737 3.585 -13.503 294 HD2 PRO 43 1HD PRO 43 23.677 2.465 -11.277 295 HD3 PRO 43 2HD PRO 43 25.157 1.853 -12.041 296 H SER 44 H SER 44 24.281 4.328 -8.967 297 HA SER 44 HA SER 44 24.650 7.075 -8.045 298 HB2 SER 44 1HB SER 44 23.005 7.278 -9.840 299 HB3 SER 44 2HB SER 44 22.021 6.011 -9.107 300 HG SER 44 HG SER 44 21.370 8.225 -8.632 301 H SER 45 H SER 45 23.420 7.542 -6.070 302 HA SER 45 HA SER 45 22.269 5.337 -4.616 303 HB2 SER 45 1HB SER 45 24.578 4.824 -4.174 304 HB3 SER 45 2HB SER 45 24.932 6.507 -3.784 305 HG SER 45 HG SER 45 24.028 6.271 -1.864 306 H GLY 46 H GLY 46 20.886 6.023 -3.058 307 HA2 GLY 46 1HA GLY 46 20.061 8.709 -3.027 308 HA3 GLY 46 2HA GLY 46 19.572 7.481 -1.869 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -13.733 -31.438 -14.662 2 HA2 GLY 1 1HA GLY 1 -13.266 -28.580 -14.679 3 HA3 GLY 1 2HA GLY 1 -14.416 -29.121 -13.465 4 H SER 2 H SER 2 -11.764 -27.887 -13.153 5 HA SER 2 HA SER 2 -10.419 -30.059 -11.683 6 HB2 SER 2 1HB SER 2 -9.257 -27.605 -13.014 7 HB3 SER 2 2HB SER 2 -8.343 -28.638 -11.915 8 HG SER 2 HG SER 2 -7.991 -29.859 -13.575 9 H SER 3 H SER 3 -9.824 -29.728 -9.577 10 HA SER 3 HA SER 3 -10.492 -27.131 -8.372 11 HB2 SER 3 1HB SER 3 -12.252 -29.036 -8.062 12 HB3 SER 3 2HB SER 3 -11.089 -29.682 -6.904 13 HG SER 3 HG SER 3 -11.232 -27.749 -5.750 14 H GLY 4 H GLY 4 -8.578 -26.375 -7.720 15 HA2 GLY 4 1HA GLY 4 -7.069 -27.901 -5.771 16 HA3 GLY 4 2HA GLY 4 -6.218 -27.587 -7.276 17 H SER 5 H SER 5 -7.093 -25.023 -7.849 18 HA SER 5 HA SER 5 -5.613 -23.525 -5.833 19 HB2 SER 5 1HB SER 5 -5.563 -21.725 -7.504 20 HB3 SER 5 2HB SER 5 -4.998 -23.243 -8.201 21 HG SER 5 HG SER 5 -6.885 -23.449 -9.301 22 H SER 6 H SER 6 -6.781 -22.803 -4.176 23 HA SER 6 HA SER 6 -9.187 -21.242 -4.751 24 HB2 SER 6 1HB SER 6 -10.481 -22.318 -3.022 25 HB3 SER 6 2HB SER 6 -9.884 -23.567 -4.114 26 HG SER 6 HG SER 6 -9.658 -23.767 -1.657 27 H GLY 7 H GLY 7 -9.063 -19.325 -3.793 28 HA2 GLY 7 1HA GLY 7 -8.698 -18.601 -1.253 29 HA3 GLY 7 2HA GLY 7 -7.036 -18.884 -1.750 30 H SER 8 H SER 8 -9.302 -16.553 -1.357 31 HA SER 8 HA SER 8 -8.150 -14.859 -3.475 32 HB2 SER 8 1HB SER 8 -10.564 -15.173 -3.742 33 HB3 SER 8 2HB SER 8 -10.833 -14.612 -2.092 34 HG SER 8 HG SER 8 -10.689 -12.633 -2.771 35 H GLY 9 H GLY 9 -6.692 -15.202 -1.169 36 HA2 GLY 9 1HA GLY 9 -7.258 -12.896 0.543 37 HA3 GLY 9 2HA GLY 9 -6.068 -14.151 0.855 38 H GLU 10 H GLU 10 -6.758 -11.506 -1.424 39 HA GLU 10 HA GLU 10 -3.940 -10.732 -1.260 40 HB2 GLU 10 1HB GLU 10 -5.444 -11.084 -3.858 41 HB3 GLU 10 2HB GLU 10 -3.831 -10.404 -3.700 42 HG2 GLU 10 1HG GLU 10 -2.942 -12.489 -2.968 43 HG3 GLU 10 2HG GLU 10 -4.553 -13.193 -2.843 44 H LYS 11 H LYS 11 -3.927 -8.704 -0.577 45 HA LYS 11 HA LYS 11 -6.201 -6.983 -0.836 46 HB2 LYS 11 1HB LYS 11 -3.511 -6.816 0.424 47 HB3 LYS 11 2HB LYS 11 -4.321 -5.301 0.047 48 HG2 LYS 11 1HG LYS 11 -5.065 -5.634 2.172 49 HG3 LYS 11 2HG LYS 11 -6.341 -6.459 1.272 50 HD2 LYS 11 1HD LYS 11 -3.954 -8.038 2.079 51 HD3 LYS 11 2HD LYS 11 -5.119 -7.597 3.330 52 HE2 LYS 11 1HE LYS 11 -6.839 -8.796 2.321 53 HE3 LYS 11 2HE LYS 11 -6.031 -8.822 0.754 54 HZ1 LYS 11 3HZ LYS 11 -5.298 -10.376 3.173 55 HZ2 LYS 11 1HZ LYS 11 -4.333 -10.290 1.785 56 HZ3 LYS 11 2HZ LYS 11 -5.875 -10.980 1.702 57 HA PRO 12 HA PRO 12 -5.284 -4.767 -4.510 58 HB2 PRO 12 1HB PRO 12 -5.916 -2.214 -3.837 59 HB3 PRO 12 2HB PRO 12 -7.133 -3.472 -4.084 60 HG2 PRO 12 1HG PRO 12 -5.977 -2.431 -1.526 61 HG3 PRO 12 2HG PRO 12 -7.663 -2.814 -1.917 62 HD2 PRO 12 1HD PRO 12 -6.079 -4.491 -0.499 63 HD3 PRO 12 2HD PRO 12 -7.359 -5.074 -1.582 64 H TYR 13 H TYR 13 -3.512 -4.206 -1.679 65 HA TYR 13 HA TYR 13 -1.543 -2.593 -3.166 66 HB2 TYR 13 1HB TYR 13 -2.037 -2.603 -0.181 67 HB3 TYR 13 2HB TYR 13 -0.834 -1.634 -1.025 68 HD1 TYR 13 HD2 TYR 13 -1.539 0.248 -2.454 69 HD2 TYR 13 HD1 TYR 13 -4.350 -1.968 -0.154 70 HE1 TYR 13 HE2 TYR 13 -3.190 2.047 -2.748 71 HE2 TYR 13 HE1 TYR 13 -6.009 -0.175 -0.442 72 HH TYR 13 HH TYR 13 -5.300 2.682 -2.422 73 H LYS 14 H LYS 14 0.204 -3.716 -3.671 74 HA LYS 14 HA LYS 14 1.393 -5.506 -1.698 75 HB2 LYS 14 1HB LYS 14 0.054 -7.038 -2.970 76 HB3 LYS 14 2HB LYS 14 0.601 -6.341 -4.490 77 HG2 LYS 14 1HG LYS 14 2.913 -7.115 -3.899 78 HG3 LYS 14 2HG LYS 14 2.194 -7.993 -2.547 79 HD2 LYS 14 1HD LYS 14 0.611 -8.906 -4.467 80 HD3 LYS 14 2HD LYS 14 2.008 -8.506 -5.470 81 HE2 LYS 14 1HE LYS 14 3.339 -9.804 -3.646 82 HE3 LYS 14 2HE LYS 14 1.767 -10.501 -3.256 83 HZ1 LYS 14 3HZ LYS 14 3.179 -10.632 -5.863 84 HZ2 LYS 14 1HZ LYS 14 1.587 -11.153 -5.625 85 HZ3 LYS 14 2HZ LYS 14 2.857 -11.917 -4.810 86 H CYS 15 H CYS 15 3.403 -4.801 -1.471 87 HA CYS 15 HA CYS 15 4.750 -3.057 -3.140 88 HB2 CYS 15 1HB CYS 15 5.450 -3.451 -0.843 89 HB3 CYS 15 2HB CYS 15 5.899 -5.107 -1.236 90 H ASN 16 H ASN 16 6.511 -3.326 -4.591 91 HA ASN 16 HA ASN 16 6.376 -5.854 -6.081 92 HB2 ASN 16 1HB ASN 16 7.574 -3.262 -7.058 93 HB3 ASN 16 2HB ASN 16 7.075 -4.653 -8.015 94 HD21 ASN 16 1HD2 ASN 16 4.885 -5.003 -8.402 95 HD22 ASN 16 2HD2 ASN 16 3.709 -3.757 -8.180 96 H GLU 17 H GLU 17 8.563 -3.650 -4.463 97 HA GLU 17 HA GLU 17 11.017 -4.593 -5.338 98 HB2 GLU 17 1HB GLU 17 10.156 -3.492 -2.667 99 HB3 GLU 17 2HB GLU 17 11.830 -3.895 -3.022 100 HG2 GLU 17 1HG GLU 17 10.150 -1.906 -4.532 101 HG3 GLU 17 2HG GLU 17 11.373 -1.516 -3.324 102 H CYS 18 H CYS 18 9.282 -5.624 -2.394 103 HA CYS 18 HA CYS 18 10.866 -8.098 -2.413 104 HB2 CYS 18 1HB CYS 18 10.173 -8.348 -0.064 105 HB3 CYS 18 2HB CYS 18 10.984 -6.810 -0.339 106 H GLY 19 H GLY 19 7.537 -6.908 -2.072 107 HA2 GLY 19 1HA GLY 19 5.811 -8.072 -3.362 108 HA3 GLY 19 2HA GLY 19 6.617 -9.576 -2.943 109 H LYS 20 H LYS 20 6.046 -6.927 -0.707 110 HA LYS 20 HA LYS 20 4.648 -8.727 1.073 111 HB2 LYS 20 1HB LYS 20 5.801 -5.988 1.266 112 HB3 LYS 20 2HB LYS 20 4.513 -6.410 2.386 113 HG2 LYS 20 1HG LYS 20 5.774 -8.054 3.421 114 HG3 LYS 20 2HG LYS 20 6.876 -8.210 2.051 115 HD2 LYS 20 1HD LYS 20 8.136 -7.063 3.645 116 HD3 LYS 20 2HD LYS 20 7.546 -5.783 2.582 117 HE2 LYS 20 1HE LYS 20 7.188 -4.961 4.744 118 HE3 LYS 20 2HE LYS 20 5.609 -5.552 4.231 119 HZ1 LYS 20 3HZ LYS 20 7.376 -7.376 5.695 120 HZ2 LYS 20 1HZ LYS 20 5.686 -7.296 5.678 121 HZ3 LYS 20 2HZ LYS 20 6.577 -6.163 6.563 122 H VAL 21 H VAL 21 2.673 -7.772 2.252 123 HA VAL 21 HA VAL 21 0.894 -6.408 0.348 124 HB VAL 21 HB VAL 21 0.177 -8.847 1.980 125 HG11 VAL 21 1HG1 VAL 21 -1.753 -7.917 0.007 126 HG12 VAL 21 2HG1 VAL 21 -1.994 -8.405 1.686 127 HG13 VAL 21 3HG1 VAL 21 -1.484 -6.759 1.309 128 HG21 VAL 21 3HG2 VAL 21 0.518 -8.401 -0.979 129 HG22 VAL 21 1HG2 VAL 21 1.406 -9.517 0.058 130 HG23 VAL 21 2HG2 VAL 21 -0.298 -9.807 -0.296 131 H PHE 22 H PHE 22 -0.393 -4.873 1.208 132 HA PHE 22 HA PHE 22 -0.616 -4.717 4.133 133 HB2 PHE 22 1HB PHE 22 -0.125 -2.300 2.392 134 HB3 PHE 22 2HB PHE 22 -0.119 -2.378 4.151 135 HD1 PHE 22 HD1 PHE 22 1.699 -3.445 1.115 136 HD2 PHE 22 HD2 PHE 22 1.835 -2.918 5.337 137 HE1 PHE 22 HE1 PHE 22 4.128 -3.841 1.083 138 HE2 PHE 22 HE2 PHE 22 4.263 -3.312 5.311 139 HZ PHE 22 HZ PHE 22 5.413 -3.773 3.183 140 H THR 23 H THR 23 -2.481 -3.686 4.921 141 HA THR 23 HA THR 23 -4.775 -3.958 3.224 142 HB THR 23 HB THR 23 -6.078 -3.255 5.187 143 HG1 THR 23 HG1 THR 23 -3.757 -3.143 6.759 144 HG21 THR 23 3HG2 THR 23 -3.954 -5.153 6.146 145 HG22 THR 23 1HG2 THR 23 -5.107 -5.611 4.894 146 HG23 THR 23 2HG2 THR 23 -5.681 -5.162 6.500 147 H GLN 24 H GLN 24 -3.242 -1.215 4.900 148 HA GLN 24 HA GLN 24 -4.829 0.619 3.249 149 HB2 GLN 24 1HB GLN 24 -3.411 0.892 5.873 150 HB3 GLN 24 2HB GLN 24 -3.734 2.325 4.906 151 HG2 GLN 24 1HG GLN 24 -5.887 0.379 5.671 152 HG3 GLN 24 2HG GLN 24 -5.425 1.738 6.694 153 HE21 GLN 24 1HE2 GLN 24 -5.607 3.884 5.774 154 HE22 GLN 24 2HE2 GLN 24 -6.837 4.201 4.603 155 H ASN 25 H ASN 25 -3.874 2.216 1.996 156 HA ASN 25 HA ASN 25 -1.497 1.576 0.689 157 HB2 ASN 25 1HB ASN 25 -1.808 3.514 -0.559 158 HB3 ASN 25 2HB ASN 25 -3.442 3.179 0.009 159 HD21 ASN 25 1HD2 ASN 25 -3.923 4.220 2.201 160 HD22 ASN 25 2HD2 ASN 25 -3.435 5.868 2.369 161 H SER 26 H SER 26 -2.106 3.957 3.251 162 HA SER 26 HA SER 26 0.331 5.189 3.427 163 HB2 SER 26 1HB SER 26 -1.601 4.374 5.595 164 HB3 SER 26 2HB SER 26 -0.153 5.322 5.939 165 HG SER 26 HG SER 26 -0.961 6.995 4.831 166 H HIS 27 H HIS 27 -0.579 2.032 4.722 167 HA HIS 27 HA HIS 27 1.805 1.533 6.141 168 HB2 HIS 27 1HB HIS 27 -0.145 -0.419 4.901 169 HB3 HIS 27 2HB HIS 27 1.106 -0.842 6.067 170 HD1 HIS 27 HD1 HIS 27 -0.940 -1.706 7.547 171 HD2 HIS 27 HD2 HIS 27 -0.741 2.401 6.953 172 HE1 HIS 27 HE1 HIS 27 -2.449 -0.701 9.290 173 H LEU 28 H LEU 28 0.908 1.107 2.785 174 HA LEU 28 HA LEU 28 3.289 -0.401 2.146 175 HB2 LEU 28 1HB LEU 28 1.425 -0.976 0.852 176 HB3 LEU 28 2HB LEU 28 1.007 0.709 0.549 177 HG LEU 28 HG LEU 28 3.231 0.768 -0.781 178 HD11 LEU 28 1HD1 LEU 28 3.879 -1.523 0.093 179 HD12 LEU 28 2HD1 LEU 28 4.037 -1.267 -1.644 180 HD13 LEU 28 3HD1 LEU 28 2.666 -2.174 -1.008 181 HD21 LEU 28 3HD2 LEU 28 1.787 -0.662 -2.618 182 HD22 LEU 28 1HD2 LEU 28 1.582 1.054 -2.262 183 HD23 LEU 28 2HD2 LEU 28 0.546 -0.139 -1.479 184 H THR 29 H THR 29 2.004 2.673 0.869 185 HA THR 29 HA THR 29 4.143 3.650 -0.446 186 HB THR 29 HB THR 29 2.152 4.962 -0.386 187 HG1 THR 29 HG1 THR 29 4.405 6.023 -0.290 188 HG21 THR 29 3HG2 THR 29 2.210 4.432 2.383 189 HG22 THR 29 1HG2 THR 29 0.965 5.285 1.472 190 HG23 THR 29 2HG2 THR 29 2.296 6.184 2.203 191 H ASN 30 H ASN 30 3.910 3.204 2.980 192 HA ASN 30 HA ASN 30 6.234 4.840 3.555 193 HB2 ASN 30 1HB ASN 30 4.185 4.497 5.089 194 HB3 ASN 30 2HB ASN 30 4.918 2.947 5.489 195 HD21 ASN 30 1HD2 ASN 30 4.436 5.571 6.950 196 HD22 ASN 30 2HD2 ASN 30 5.960 5.913 7.690 197 H HIS 31 H HIS 31 5.368 1.395 3.632 198 HA HIS 31 HA HIS 31 7.660 0.263 4.579 199 HB2 HIS 31 1HB HIS 31 6.028 -1.299 4.108 200 HB3 HIS 31 2HB HIS 31 5.667 -0.604 2.531 201 HD1 HIS 31 HD1 HIS 31 8.472 -2.562 4.193 202 HD2 HIS 31 HD2 HIS 31 6.724 -2.001 0.466 203 HE1 HIS 31 HE1 HIS 31 9.621 -4.190 2.659 204 H TRP 32 H TRP 32 7.043 0.938 1.129 205 HA TRP 32 HA TRP 32 9.311 0.189 -0.072 206 HB2 TRP 32 1HB TRP 32 7.611 2.617 -0.443 207 HB3 TRP 32 2HB TRP 32 9.116 2.502 -1.351 208 HD1 TRP 32 HD1 TRP 32 5.962 0.307 -0.763 209 HE1 TRP 32 HE1 TRP 32 5.436 -0.919 -2.964 210 HE3 TRP 32 HE3 TRP 32 9.903 1.955 -3.571 211 HZ2 TRP 32 HZ2 TRP 32 6.545 -1.156 -5.549 212 HZ3 TRP 32 HZ3 TRP 32 10.098 1.181 -5.899 213 HH2 TRP 32 HH2 TRP 32 8.453 -0.343 -6.865 214 H ARG 33 H ARG 33 9.012 2.926 2.106 215 HA ARG 33 HA ARG 33 11.306 4.333 1.696 216 HB2 ARG 33 1HB ARG 33 10.101 3.534 4.350 217 HB3 ARG 33 2HB ARG 33 11.318 4.786 4.149 218 HG2 ARG 33 1HG ARG 33 8.836 4.995 2.538 219 HG3 ARG 33 2HG ARG 33 8.741 5.342 4.266 220 HD2 ARG 33 1HD ARG 33 9.265 7.424 3.504 221 HD3 ARG 33 2HD ARG 33 10.894 6.782 3.718 222 HE ARG 33 HE ARG 33 10.172 6.154 1.136 223 HH11 ARG 33 1HH1 ARG 33 10.541 9.053 3.028 224 HH12 ARG 33 2HH1 ARG 33 10.981 10.038 1.672 225 HH21 ARG 33 1HH2 ARG 33 10.751 7.439 -0.657 226 HH22 ARG 33 2HH2 ARG 33 11.100 9.119 -0.423 227 H ILE 34 H ILE 34 11.011 1.361 3.625 228 HA ILE 34 HA ILE 34 13.666 1.169 4.452 229 HB ILE 34 HB ILE 34 13.261 -1.145 4.910 230 HG12 ILE 34 1HG1 ILE 34 10.862 -1.968 4.068 231 HG13 ILE 34 2HG1 ILE 34 11.220 -0.842 2.763 232 HG21 ILE 34 1HG2 ILE 34 10.558 -0.563 5.538 233 HG22 ILE 34 2HG2 ILE 34 11.968 -0.511 6.595 234 HG23 ILE 34 3HG2 ILE 34 11.487 0.927 5.695 235 HD11 ILE 34 3HD1 ILE 34 12.354 -2.469 1.790 236 HD12 ILE 34 1HD1 ILE 34 13.542 -2.342 3.086 237 HD13 ILE 34 2HD1 ILE 34 12.215 -3.496 3.217 238 H HIS 35 H HIS 35 12.140 0.255 1.430 239 HA HIS 35 HA HIS 35 14.349 -1.238 0.417 240 HB2 HIS 35 1HB HIS 35 11.875 -0.055 -0.813 241 HB3 HIS 35 2HB HIS 35 13.128 -0.770 -1.823 242 HD1 HIS 35 HD1 HIS 35 13.839 -3.276 -0.319 243 HD2 HIS 35 HD2 HIS 35 9.930 -1.930 -0.726 244 HE1 HIS 35 HE1 HIS 35 12.392 -5.306 0.010 245 H THR 36 H THR 36 13.356 2.126 0.266 246 HA THR 36 HA THR 36 15.415 2.831 -1.637 247 HB THR 36 HB THR 36 14.668 5.192 -1.142 248 HG1 THR 36 HG1 THR 36 12.908 5.481 0.174 249 HG21 THR 36 3HG2 THR 36 12.349 4.814 -2.152 250 HG22 THR 36 1HG2 THR 36 12.741 3.095 -2.108 251 HG23 THR 36 2HG2 THR 36 13.731 4.202 -3.060 252 H GLY 37 H GLY 37 16.606 1.596 0.497 253 HA2 GLY 37 1HA GLY 37 18.062 3.846 1.729 254 HA3 GLY 37 2HA GLY 37 17.551 2.473 2.701 255 H GLU 38 H GLU 38 18.107 0.600 0.458 256 HA GLU 38 HA GLU 38 20.926 0.242 1.043 257 HB2 GLU 38 1HB GLU 38 19.129 -1.603 1.033 258 HB3 GLU 38 2HB GLU 38 19.258 -1.537 -0.719 259 HG2 GLU 38 1HG GLU 38 20.740 -3.200 -0.288 260 HG3 GLU 38 2HG GLU 38 21.824 -1.812 -0.203 261 H LYS 39 H LYS 39 20.538 2.498 -0.483 262 HA LYS 39 HA LYS 39 20.898 3.473 -2.551 263 HB2 LYS 39 1HB LYS 39 23.248 1.709 -1.936 264 HB3 LYS 39 2HB LYS 39 23.229 2.686 -3.398 265 HG2 LYS 39 1HG LYS 39 24.361 4.007 -1.864 266 HG3 LYS 39 2HG LYS 39 22.720 4.657 -1.837 267 HD2 LYS 39 1HD LYS 39 23.248 4.494 0.418 268 HD3 LYS 39 2HD LYS 39 22.352 3.003 0.119 269 HE2 LYS 39 1HE LYS 39 24.236 2.364 1.378 270 HE3 LYS 39 2HE LYS 39 24.602 1.903 -0.284 271 HZ1 LYS 39 3HZ LYS 39 26.496 3.006 0.059 272 HZ2 LYS 39 1HZ LYS 39 25.906 3.823 1.418 273 HZ3 LYS 39 2HZ LYS 39 25.579 4.415 -0.132 274 HA PRO 40 HA PRO 40 19.528 -0.343 -4.978 275 HB2 PRO 40 1HB PRO 40 16.966 0.450 -5.400 276 HB3 PRO 40 2HB PRO 40 17.458 -0.501 -3.993 277 HG2 PRO 40 1HG PRO 40 16.983 2.446 -4.216 278 HG3 PRO 40 2HG PRO 40 16.493 1.328 -2.930 279 HD2 PRO 40 1HD PRO 40 18.648 2.953 -2.706 280 HD3 PRO 40 2HD PRO 40 18.577 1.350 -1.945 281 H SER 41 H SER 41 20.089 2.886 -5.362 282 HA SER 41 HA SER 41 19.150 3.038 -8.123 283 HB2 SER 41 1HB SER 41 20.232 5.038 -6.162 284 HB3 SER 41 2HB SER 41 20.225 5.405 -7.887 285 HG SER 41 HG SER 41 17.862 4.546 -7.516 286 H GLY 42 H GLY 42 20.554 3.514 -9.873 287 HA2 GLY 42 1HA GLY 42 23.334 3.745 -9.726 288 HA3 GLY 42 2HA GLY 42 22.959 2.035 -9.873 289 HA PRO 43 HA PRO 43 22.838 2.510 -14.232 290 HB2 PRO 43 1HB PRO 43 21.197 0.450 -14.891 291 HB3 PRO 43 2HB PRO 43 22.862 0.215 -14.346 292 HG2 PRO 43 1HG PRO 43 20.311 -0.019 -12.797 293 HG3 PRO 43 2HG PRO 43 21.735 -1.076 -12.774 294 HD2 PRO 43 1HD PRO 43 21.270 0.784 -10.862 295 HD3 PRO 43 2HD PRO 43 22.908 0.326 -11.369 296 H SER 44 H SER 44 21.454 3.049 -16.009 297 HA SER 44 HA SER 44 19.754 4.198 -16.991 298 HB2 SER 44 1HB SER 44 18.551 2.062 -16.307 299 HB3 SER 44 2HB SER 44 17.935 2.961 -14.921 300 HG SER 44 HG SER 44 17.637 4.165 -17.403 301 H SER 45 H SER 45 21.227 5.619 -15.123 302 HA SER 45 HA SER 45 19.853 6.933 -13.113 303 HB2 SER 45 1HB SER 45 21.484 8.792 -13.460 304 HB3 SER 45 2HB SER 45 22.246 7.204 -13.376 305 HG SER 45 HG SER 45 22.919 7.448 -15.350 306 H GLY 46 H GLY 46 20.130 7.837 -16.543 307 HA2 GLY 46 1HA GLY 46 17.645 8.663 -17.099 308 HA3 GLY 46 2HA GLY 46 18.260 10.030 -16.182 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -9.305 -26.377 -14.476 2 HA2 GLY 1 1HA GLY 1 -10.160 -27.429 -11.959 3 HA3 GLY 1 2HA GLY 1 -8.734 -28.265 -12.557 4 H SER 2 H SER 2 -9.983 -25.354 -11.180 5 HA SER 2 HA SER 2 -7.265 -24.482 -10.599 6 HB2 SER 2 1HB SER 2 -9.283 -22.823 -12.109 7 HB3 SER 2 2HB SER 2 -7.938 -22.097 -11.230 8 HG SER 2 HG SER 2 -6.739 -22.566 -12.875 9 H SER 3 H SER 3 -7.081 -23.243 -8.737 10 HA SER 3 HA SER 3 -9.554 -22.994 -7.152 11 HB2 SER 3 1HB SER 3 -6.811 -23.931 -6.423 12 HB3 SER 3 2HB SER 3 -7.764 -23.090 -5.200 13 HG SER 3 HG SER 3 -8.004 -25.621 -6.111 14 H GLY 4 H GLY 4 -10.060 -21.042 -6.362 15 HA2 GLY 4 1HA GLY 4 -7.973 -18.954 -6.401 16 HA3 GLY 4 2HA GLY 4 -9.579 -18.651 -7.048 17 H SER 5 H SER 5 -11.246 -19.703 -5.211 18 HA SER 5 HA SER 5 -11.281 -17.748 -3.194 19 HB2 SER 5 1HB SER 5 -13.280 -18.993 -4.075 20 HB3 SER 5 2HB SER 5 -12.748 -20.394 -3.146 21 HG SER 5 HG SER 5 -13.392 -17.838 -2.089 22 H SER 6 H SER 6 -10.692 -17.753 -1.071 23 HA SER 6 HA SER 6 -9.935 -20.049 0.392 24 HB2 SER 6 1HB SER 6 -7.968 -20.150 -0.960 25 HB3 SER 6 2HB SER 6 -7.706 -18.411 -0.824 26 HG SER 6 HG SER 6 -7.649 -20.191 1.383 27 H GLY 7 H GLY 7 -9.235 -19.548 2.552 28 HA2 GLY 7 1HA GLY 7 -10.555 -17.465 3.771 29 HA3 GLY 7 2HA GLY 7 -9.166 -18.283 4.471 30 H SER 8 H SER 8 -7.008 -17.494 3.767 31 HA SER 8 HA SER 8 -6.817 -14.707 4.162 32 HB2 SER 8 1HB SER 8 -4.384 -15.057 3.612 33 HB3 SER 8 2HB SER 8 -5.005 -16.115 4.878 34 HG SER 8 HG SER 8 -4.868 -16.878 2.154 35 H GLY 9 H GLY 9 -7.514 -13.276 2.706 36 HA2 GLY 9 1HA GLY 9 -7.054 -13.815 -0.148 37 HA3 GLY 9 2HA GLY 9 -8.213 -12.665 0.502 38 H GLU 10 H GLU 10 -5.975 -12.413 -1.484 39 HA GLU 10 HA GLU 10 -3.923 -10.844 -0.316 40 HB2 GLU 10 1HB GLU 10 -3.719 -12.000 -2.504 41 HB3 GLU 10 2HB GLU 10 -4.871 -10.862 -3.186 42 HG2 GLU 10 1HG GLU 10 -3.353 -9.028 -2.793 43 HG3 GLU 10 2HG GLU 10 -2.214 -10.108 -1.991 44 H LYS 11 H LYS 11 -3.532 -8.547 -0.787 45 HA LYS 11 HA LYS 11 -6.043 -7.015 -0.654 46 HB2 LYS 11 1HB LYS 11 -3.403 -6.728 0.689 47 HB3 LYS 11 2HB LYS 11 -4.268 -5.252 0.283 48 HG2 LYS 11 1HG LYS 11 -4.959 -5.693 2.446 49 HG3 LYS 11 2HG LYS 11 -6.270 -6.355 1.467 50 HD2 LYS 11 1HD LYS 11 -4.874 -8.560 1.613 51 HD3 LYS 11 2HD LYS 11 -4.154 -7.779 3.023 52 HE2 LYS 11 1HE LYS 11 -7.128 -8.026 2.657 53 HE3 LYS 11 2HE LYS 11 -6.166 -9.283 3.433 54 HZ1 LYS 11 3HZ LYS 11 -7.004 -7.899 5.135 55 HZ2 LYS 11 1HZ LYS 11 -6.543 -6.484 4.331 56 HZ3 LYS 11 2HZ LYS 11 -5.365 -7.508 4.982 57 HA PRO 12 HA PRO 12 -5.102 -4.770 -4.303 58 HB2 PRO 12 1HB PRO 12 -5.852 -2.242 -3.658 59 HB3 PRO 12 2HB PRO 12 -7.012 -3.546 -3.936 60 HG2 PRO 12 1HG PRO 12 -5.973 -2.455 -1.349 61 HG3 PRO 12 2HG PRO 12 -7.631 -2.904 -1.789 62 HD2 PRO 12 1HD PRO 12 -6.027 -4.515 -0.318 63 HD3 PRO 12 2HD PRO 12 -7.250 -5.150 -1.437 64 H TYR 13 H TYR 13 -3.468 -4.083 -1.402 65 HA TYR 13 HA TYR 13 -1.554 -2.338 -2.805 66 HB2 TYR 13 1HB TYR 13 -2.047 -2.610 0.167 67 HB3 TYR 13 2HB TYR 13 -0.862 -1.544 -0.579 68 HD1 TYR 13 HD2 TYR 13 -1.568 0.472 -1.755 69 HD2 TYR 13 HD1 TYR 13 -4.412 -2.084 0.110 70 HE1 TYR 13 HE2 TYR 13 -3.264 2.245 -1.924 71 HE2 TYR 13 HE1 TYR 13 -6.116 -0.319 -0.054 72 HH TYR 13 HH TYR 13 -5.576 2.592 -1.875 73 H LYS 14 H LYS 14 0.225 -3.345 -3.432 74 HA LYS 14 HA LYS 14 1.508 -5.248 -1.618 75 HB2 LYS 14 1HB LYS 14 0.152 -6.574 -3.210 76 HB3 LYS 14 2HB LYS 14 1.015 -5.823 -4.546 77 HG2 LYS 14 1HG LYS 14 3.115 -6.762 -3.240 78 HG3 LYS 14 2HG LYS 14 1.912 -7.902 -2.633 79 HD2 LYS 14 1HD LYS 14 1.266 -8.347 -5.014 80 HD3 LYS 14 2HD LYS 14 2.651 -7.370 -5.507 81 HE2 LYS 14 1HE LYS 14 4.179 -8.886 -4.484 82 HE3 LYS 14 2HE LYS 14 2.871 -9.766 -3.696 83 HZ1 LYS 14 3HZ LYS 14 3.309 -11.107 -5.479 84 HZ2 LYS 14 1HZ LYS 14 3.722 -9.826 -6.504 85 HZ3 LYS 14 2HZ LYS 14 2.098 -10.128 -6.140 86 H CYS 15 H CYS 15 3.729 -5.285 -1.734 87 HA CYS 15 HA CYS 15 4.944 -3.039 -3.101 88 HB2 CYS 15 1HB CYS 15 5.564 -3.523 -0.779 89 HB3 CYS 15 2HB CYS 15 6.147 -5.114 -1.257 90 H ASN 16 H ASN 16 5.635 -3.212 -5.120 91 HA ASN 16 HA ASN 16 6.192 -5.800 -6.287 92 HB2 ASN 16 1HB ASN 16 4.956 -4.002 -7.514 93 HB3 ASN 16 2HB ASN 16 6.446 -3.065 -7.552 94 HD21 ASN 16 1HD2 ASN 16 5.500 -6.429 -8.191 95 HD22 ASN 16 2HD2 ASN 16 6.307 -6.543 -9.715 96 H GLU 17 H GLU 17 7.957 -4.601 -4.182 97 HA GLU 17 HA GLU 17 10.469 -4.453 -5.708 98 HB2 GLU 17 1HB GLU 17 9.633 -2.623 -3.983 99 HB3 GLU 17 2HB GLU 17 10.334 -3.734 -2.815 100 HG2 GLU 17 1HG GLU 17 11.724 -2.340 -5.083 101 HG3 GLU 17 2HG GLU 17 11.978 -2.110 -3.354 102 H CYS 18 H CYS 18 8.873 -6.005 -2.974 103 HA CYS 18 HA CYS 18 10.912 -8.121 -3.080 104 HB2 CYS 18 1HB CYS 18 10.699 -8.348 -0.601 105 HB3 CYS 18 2HB CYS 18 11.428 -6.829 -1.113 106 H GLY 19 H GLY 19 7.629 -7.203 -2.123 107 HA2 GLY 19 1HA GLY 19 5.877 -8.704 -3.082 108 HA3 GLY 19 2HA GLY 19 6.844 -10.033 -2.461 109 H LYS 20 H LYS 20 5.695 -6.950 -1.089 110 HA LYS 20 HA LYS 20 4.734 -8.465 1.243 111 HB2 LYS 20 1HB LYS 20 6.484 -6.476 1.331 112 HB3 LYS 20 2HB LYS 20 5.025 -5.494 1.294 113 HG2 LYS 20 1HG LYS 20 5.268 -5.705 3.538 114 HG3 LYS 20 2HG LYS 20 4.302 -7.148 3.228 115 HD2 LYS 20 1HD LYS 20 7.260 -7.382 3.049 116 HD3 LYS 20 2HD LYS 20 6.536 -7.237 4.652 117 HE2 LYS 20 1HE LYS 20 5.017 -9.132 4.035 118 HE3 LYS 20 2HE LYS 20 5.964 -9.332 2.562 119 HZ1 LYS 20 3HZ LYS 20 7.535 -9.246 4.979 120 HZ2 LYS 20 1HZ LYS 20 7.619 -10.315 3.670 121 HZ3 LYS 20 2HZ LYS 20 6.479 -10.565 4.894 122 H VAL 21 H VAL 21 2.730 -7.802 2.234 123 HA VAL 21 HA VAL 21 0.894 -6.391 0.417 124 HB VAL 21 HB VAL 21 0.277 -8.938 1.922 125 HG11 VAL 21 1HG1 VAL 21 -1.487 -7.195 0.204 126 HG12 VAL 21 2HG1 VAL 21 -1.924 -8.793 0.813 127 HG13 VAL 21 3HG1 VAL 21 -1.641 -7.466 1.940 128 HG21 VAL 21 3HG2 VAL 21 1.191 -8.383 -0.784 129 HG22 VAL 21 1HG2 VAL 21 1.125 -9.908 0.098 130 HG23 VAL 21 2HG2 VAL 21 -0.306 -9.315 -0.746 131 H PHE 22 H PHE 22 -0.367 -4.901 1.360 132 HA PHE 22 HA PHE 22 -0.568 -4.908 4.297 133 HB2 PHE 22 1HB PHE 22 -0.323 -2.404 2.629 134 HB3 PHE 22 2HB PHE 22 -0.244 -2.542 4.382 135 HD1 PHE 22 HD1 PHE 22 1.555 -3.068 1.237 136 HD2 PHE 22 HD2 PHE 22 1.765 -3.268 5.484 137 HE1 PHE 22 HE1 PHE 22 4.003 -3.276 1.103 138 HE2 PHE 22 HE2 PHE 22 4.213 -3.475 5.356 139 HZ PHE 22 HZ PHE 22 5.335 -3.478 3.164 140 H THR 23 H THR 23 -2.351 -3.354 5.036 141 HA THR 23 HA THR 23 -4.732 -3.942 3.436 142 HB THR 23 HB THR 23 -4.665 -4.622 5.847 143 HG1 THR 23 HG1 THR 23 -6.693 -2.685 5.524 144 HG21 THR 23 3HG2 THR 23 -5.365 -2.039 6.915 145 HG22 THR 23 1HG2 THR 23 -3.748 -2.000 6.214 146 HG23 THR 23 2HG2 THR 23 -4.139 -3.180 7.465 147 H GLN 24 H GLN 24 -2.851 -1.288 4.702 148 HA GLN 24 HA GLN 24 -4.758 0.608 3.499 149 HB2 GLN 24 1HB GLN 24 -2.906 0.841 5.849 150 HB3 GLN 24 2HB GLN 24 -3.436 2.281 4.989 151 HG2 GLN 24 1HG GLN 24 -5.808 1.420 5.369 152 HG3 GLN 24 2HG GLN 24 -5.084 0.315 6.536 153 HE21 GLN 24 1HE2 GLN 24 -4.779 3.751 5.683 154 HE22 GLN 24 2HE2 GLN 24 -4.888 4.337 7.305 155 H ASN 25 H ASN 25 -3.841 2.497 2.445 156 HA ASN 25 HA ASN 25 -1.785 1.801 0.625 157 HB2 ASN 25 1HB ASN 25 -2.292 3.764 -0.468 158 HB3 ASN 25 2HB ASN 25 -3.778 3.532 0.449 159 HD21 ASN 25 1HD2 ASN 25 -3.771 4.573 2.646 160 HD22 ASN 25 2HD2 ASN 25 -3.085 6.154 2.755 161 H SER 26 H SER 26 -1.893 4.001 3.406 162 HA SER 26 HA SER 26 0.624 5.122 3.224 163 HB2 SER 26 1HB SER 26 -1.163 5.720 4.891 164 HB3 SER 26 2HB SER 26 -0.700 4.290 5.814 165 HG SER 26 HG SER 26 1.536 5.419 5.500 166 H HIS 27 H HIS 27 -0.316 2.040 4.696 167 HA HIS 27 HA HIS 27 2.154 1.332 5.784 168 HB2 HIS 27 1HB HIS 27 -0.008 -0.452 4.646 169 HB3 HIS 27 2HB HIS 27 1.327 -1.006 5.653 170 HD1 HIS 27 HD1 HIS 27 -0.549 -1.847 7.328 171 HD2 HIS 27 HD2 HIS 27 -0.288 2.273 6.855 172 HE1 HIS 27 HE1 HIS 27 -1.829 -0.866 9.258 173 H LEU 28 H LEU 28 0.868 0.881 2.527 174 HA LEU 28 HA LEU 28 3.110 -0.643 1.608 175 HB2 LEU 28 1HB LEU 28 1.061 -0.996 0.490 176 HB3 LEU 28 2HB LEU 28 0.822 0.731 0.227 177 HG LEU 28 HG LEU 28 2.747 0.689 -1.356 178 HD11 LEU 28 1HD1 LEU 28 2.858 -1.981 -2.088 179 HD12 LEU 28 2HD1 LEU 28 2.955 -2.007 -0.328 180 HD13 LEU 28 3HD1 LEU 28 4.114 -1.060 -1.261 181 HD21 LEU 28 3HD2 LEU 28 0.494 -1.203 -2.024 182 HD22 LEU 28 1HD2 LEU 28 1.512 -0.337 -3.174 183 HD23 LEU 28 2HD2 LEU 28 0.415 0.557 -2.122 184 H THR 29 H THR 29 1.947 2.568 0.572 185 HA THR 29 HA THR 29 4.159 3.393 -0.819 186 HB THR 29 HB THR 29 2.160 4.733 -0.834 187 HG1 THR 29 HG1 THR 29 3.167 6.827 -0.290 188 HG21 THR 29 3HG2 THR 29 2.541 5.995 1.782 189 HG22 THR 29 1HG2 THR 29 2.057 4.302 1.866 190 HG23 THR 29 2HG2 THR 29 1.060 5.462 0.987 191 H ASN 30 H ASN 30 3.674 3.385 2.660 192 HA ASN 30 HA ASN 30 6.042 4.889 3.245 193 HB2 ASN 30 1HB ASN 30 4.074 4.793 4.767 194 HB3 ASN 30 2HB ASN 30 4.434 3.097 5.078 195 HD21 ASN 30 1HD2 ASN 30 4.722 6.074 6.318 196 HD22 ASN 30 2HD2 ASN 30 6.130 5.868 7.298 197 H HIS 31 H HIS 31 5.167 1.452 3.338 198 HA HIS 31 HA HIS 31 7.378 0.313 4.438 199 HB2 HIS 31 1HB HIS 31 5.689 -1.178 3.813 200 HB3 HIS 31 2HB HIS 31 5.627 -0.566 2.162 201 HD1 HIS 31 HD1 HIS 31 7.788 -2.711 4.401 202 HD2 HIS 31 HD2 HIS 31 7.211 -1.903 0.367 203 HE1 HIS 31 HE1 HIS 31 9.179 -4.406 3.170 204 H TRP 32 H TRP 32 7.026 1.042 0.963 205 HA TRP 32 HA TRP 32 9.339 0.276 -0.110 206 HB2 TRP 32 1HB TRP 32 7.729 2.752 -0.496 207 HB3 TRP 32 2HB TRP 32 9.311 2.681 -1.267 208 HD1 TRP 32 HD1 TRP 32 6.116 0.472 -1.101 209 HE1 TRP 32 HE1 TRP 32 5.791 -0.614 -3.411 210 HE3 TRP 32 HE3 TRP 32 10.292 2.270 -3.438 211 HZ2 TRP 32 HZ2 TRP 32 7.128 -0.698 -5.896 212 HZ3 TRP 32 HZ3 TRP 32 10.696 1.639 -5.782 213 HH2 TRP 32 HH2 TRP 32 9.146 0.185 -6.983 214 H ARG 33 H ARG 33 8.995 3.017 2.079 215 HA ARG 33 HA ARG 33 11.425 4.250 1.877 216 HB2 ARG 33 1HB ARG 33 9.783 3.656 4.337 217 HB3 ARG 33 2HB ARG 33 11.204 4.692 4.364 218 HG2 ARG 33 1HG ARG 33 10.139 6.191 2.752 219 HG3 ARG 33 2HG ARG 33 8.712 5.154 2.738 220 HD2 ARG 33 1HD ARG 33 8.363 7.061 4.200 221 HD3 ARG 33 2HD ARG 33 8.400 5.567 5.134 222 HE ARG 33 HE ARG 33 10.953 6.858 4.990 223 HH11 ARG 33 1HH1 ARG 33 7.896 6.792 6.656 224 HH12 ARG 33 2HH1 ARG 33 8.529 7.477 8.116 225 HH21 ARG 33 1HH2 ARG 33 11.798 7.760 6.907 226 HH22 ARG 33 2HH2 ARG 33 10.748 8.028 8.257 227 H ILE 34 H ILE 34 10.684 1.406 3.883 228 HA ILE 34 HA ILE 34 13.105 0.988 5.092 229 HB ILE 34 HB ILE 34 12.551 -1.325 5.308 230 HG12 ILE 34 1HG1 ILE 34 10.380 -2.017 3.907 231 HG13 ILE 34 2HG1 ILE 34 11.048 -0.836 2.785 232 HG21 ILE 34 1HG2 ILE 34 10.319 -1.209 6.187 233 HG22 ILE 34 2HG2 ILE 34 11.129 0.326 6.498 234 HG23 ILE 34 3HG2 ILE 34 9.954 0.199 5.190 235 HD11 ILE 34 3HD1 ILE 34 13.251 -2.197 3.150 236 HD12 ILE 34 1HD1 ILE 34 12.131 -3.469 3.637 237 HD13 ILE 34 2HD1 ILE 34 12.014 -2.759 2.026 238 H HIS 35 H HIS 35 12.206 0.284 1.769 239 HA HIS 35 HA HIS 35 14.572 -1.187 1.146 240 HB2 HIS 35 1HB HIS 35 12.461 0.127 -0.564 241 HB3 HIS 35 2HB HIS 35 13.833 -0.739 -1.248 242 HD1 HIS 35 HD1 HIS 35 14.013 -3.309 0.014 243 HD2 HIS 35 HD2 HIS 35 10.310 -1.485 -0.455 244 HE1 HIS 35 HE1 HIS 35 12.325 -5.168 0.160 245 H THR 36 H THR 36 13.566 2.178 0.789 246 HA THR 36 HA THR 36 16.087 2.900 -0.465 247 HB THR 36 HB THR 36 15.160 5.198 -0.508 248 HG1 THR 36 HG1 THR 36 12.723 5.082 0.033 249 HG21 THR 36 3HG2 THR 36 14.098 4.717 -2.421 250 HG22 THR 36 1HG2 THR 36 12.865 3.768 -1.592 251 HG23 THR 36 2HG2 THR 36 14.402 3.024 -2.033 252 H GLY 37 H GLY 37 17.638 2.566 1.123 253 HA2 GLY 37 1HA GLY 37 17.992 4.714 2.973 254 HA3 GLY 37 2HA GLY 37 17.543 3.228 3.796 255 H GLU 38 H GLU 38 19.885 4.228 4.507 256 HA GLU 38 HA GLU 38 21.993 3.049 2.880 257 HB2 GLU 38 1HB GLU 38 21.993 4.791 5.337 258 HB3 GLU 38 2HB GLU 38 23.461 4.027 4.743 259 HG2 GLU 38 1HG GLU 38 21.762 5.746 2.975 260 HG3 GLU 38 2HG GLU 38 22.989 6.432 4.038 261 H LYS 39 H LYS 39 20.258 1.147 3.889 262 HA LYS 39 HA LYS 39 22.030 -0.289 5.738 263 HB2 LYS 39 1HB LYS 39 20.015 0.705 6.917 264 HB3 LYS 39 2HB LYS 39 19.021 -0.382 5.955 265 HG2 LYS 39 1HG LYS 39 19.249 -1.669 7.800 266 HG3 LYS 39 2HG LYS 39 20.709 -2.177 6.948 267 HD2 LYS 39 1HD LYS 39 20.885 0.190 8.740 268 HD3 LYS 39 2HD LYS 39 20.763 -1.407 9.483 269 HE2 LYS 39 1HE LYS 39 23.025 -1.286 9.283 270 HE3 LYS 39 2HE LYS 39 22.649 -1.956 7.696 271 HZ1 LYS 39 3HZ LYS 39 23.609 -0.199 6.787 272 HZ2 LYS 39 1HZ LYS 39 23.915 0.473 8.310 273 HZ3 LYS 39 2HZ LYS 39 22.467 0.819 7.509 274 HA PRO 40 HA PRO 40 20.656 -2.712 1.934 275 HB2 PRO 40 1HB PRO 40 23.135 -3.059 0.883 276 HB3 PRO 40 2HB PRO 40 22.113 -1.670 0.495 277 HG2 PRO 40 1HG PRO 40 24.381 -1.869 2.438 278 HG3 PRO 40 2HG PRO 40 24.004 -0.573 1.288 279 HD2 PRO 40 1HD PRO 40 23.399 -0.405 3.922 280 HD3 PRO 40 2HD PRO 40 22.402 0.352 2.663 281 H SER 41 H SER 41 20.335 -4.789 2.392 282 HA SER 41 HA SER 41 22.223 -6.177 4.148 283 HB2 SER 41 1HB SER 41 19.612 -6.073 4.453 284 HB3 SER 41 2HB SER 41 19.623 -7.374 3.262 285 HG SER 41 HG SER 41 19.723 -8.121 5.450 286 H GLY 42 H GLY 42 23.326 -7.990 3.556 287 HA2 GLY 42 1HA GLY 42 22.755 -9.316 1.041 288 HA3 GLY 42 2HA GLY 42 24.268 -8.424 1.077 289 HA PRO 43 HA PRO 43 26.199 -12.032 2.676 290 HB2 PRO 43 1HB PRO 43 28.388 -10.893 3.808 291 HB3 PRO 43 2HB PRO 43 28.188 -11.061 2.060 292 HG2 PRO 43 1HG PRO 43 27.712 -8.672 3.799 293 HG3 PRO 43 2HG PRO 43 28.499 -8.762 2.213 294 HD2 PRO 43 1HD PRO 43 25.937 -7.944 2.524 295 HD3 PRO 43 2HD PRO 43 26.493 -8.816 1.080 296 H SER 44 H SER 44 24.698 -9.750 4.556 297 HA SER 44 HA SER 44 25.583 -10.052 7.134 298 HB2 SER 44 1HB SER 44 23.548 -8.715 6.120 299 HB3 SER 44 2HB SER 44 22.631 -10.128 6.640 300 HG SER 44 HG SER 44 24.008 -9.648 8.701 301 H SER 45 H SER 45 25.948 -11.778 8.341 302 HA SER 45 HA SER 45 24.629 -14.298 7.705 303 HB2 SER 45 1HB SER 45 27.058 -14.330 8.006 304 HB3 SER 45 2HB SER 45 26.880 -13.675 9.633 305 HG SER 45 HG SER 45 25.911 -15.565 10.277 306 H GLY 46 H GLY 46 22.662 -14.495 8.589 307 HA2 GLY 46 1HA GLY 46 21.221 -15.010 10.349 308 HA3 GLY 46 2HA GLY 46 22.449 -14.465 11.481 Start of MODEL 5 1 H1 GLY 1 H GLY 1 6.209 -29.525 8.713 2 HA2 GLY 1 1HA GLY 1 6.226 -28.260 10.828 3 HA3 GLY 1 2HA GLY 1 7.065 -26.984 9.957 4 H SER 2 H SER 2 3.998 -28.707 10.237 5 HA SER 2 HA SER 2 2.410 -27.377 8.463 6 HB2 SER 2 1HB SER 2 1.790 -28.333 11.259 7 HB3 SER 2 2HB SER 2 0.550 -27.684 10.185 8 HG SER 2 HG SER 2 2.263 -29.807 9.431 9 H SER 3 H SER 3 1.950 -25.318 8.110 10 HA SER 3 HA SER 3 1.969 -23.452 10.388 11 HB2 SER 3 1HB SER 3 2.954 -22.817 7.598 12 HB3 SER 3 2HB SER 3 2.985 -21.743 8.996 13 HG SER 3 HG SER 3 4.531 -23.010 9.933 14 H GLY 4 H GLY 4 -0.023 -22.720 10.697 15 HA2 GLY 4 1HA GLY 4 -2.141 -22.960 8.882 16 HA3 GLY 4 2HA GLY 4 -2.132 -21.913 10.293 17 H SER 5 H SER 5 -1.722 -22.110 6.865 18 HA SER 5 HA SER 5 -0.996 -19.293 6.654 19 HB2 SER 5 1HB SER 5 -0.678 -19.717 4.296 20 HB3 SER 5 2HB SER 5 0.099 -21.015 5.202 21 HG SER 5 HG SER 5 -1.212 -22.384 4.306 22 H SER 6 H SER 6 -2.255 -17.752 5.581 23 HA SER 6 HA SER 6 -4.991 -18.483 4.862 24 HB2 SER 6 1HB SER 6 -4.927 -17.777 7.295 25 HB3 SER 6 2HB SER 6 -4.442 -16.176 6.736 26 HG SER 6 HG SER 6 -6.596 -16.026 6.820 27 H GLY 7 H GLY 7 -5.975 -17.086 3.393 28 HA2 GLY 7 1HA GLY 7 -5.002 -14.556 2.649 29 HA3 GLY 7 2HA GLY 7 -4.277 -15.760 1.593 30 H SER 8 H SER 8 -7.103 -13.962 2.349 31 HA SER 8 HA SER 8 -8.999 -15.480 0.896 32 HB2 SER 8 1HB SER 8 -10.374 -13.419 0.963 33 HB3 SER 8 2HB SER 8 -9.699 -13.819 2.542 34 HG SER 8 HG SER 8 -8.365 -12.049 0.800 35 H GLY 9 H GLY 9 -6.735 -12.948 0.000 36 HA2 GLY 9 1HA GLY 9 -6.592 -13.676 -2.686 37 HA3 GLY 9 2HA GLY 9 -7.794 -12.400 -2.566 38 H GLU 10 H GLU 10 -6.106 -11.424 -4.054 39 HA GLU 10 HA GLU 10 -3.765 -10.380 -2.679 40 HB2 GLU 10 1HB GLU 10 -3.646 -11.219 -5.034 41 HB3 GLU 10 2HB GLU 10 -4.674 -9.876 -5.516 42 HG2 GLU 10 1HG GLU 10 -2.495 -9.196 -6.014 43 HG3 GLU 10 2HG GLU 10 -2.911 -8.354 -4.522 44 H LYS 11 H LYS 11 -3.776 -8.510 -1.641 45 HA LYS 11 HA LYS 11 -6.038 -6.770 -1.691 46 HB2 LYS 11 1HB LYS 11 -3.322 -6.579 -0.395 47 HB3 LYS 11 2HB LYS 11 -4.530 -5.310 -0.243 48 HG2 LYS 11 1HG LYS 11 -6.032 -6.772 0.890 49 HG3 LYS 11 2HG LYS 11 -5.009 -8.171 0.555 50 HD2 LYS 11 1HD LYS 11 -3.200 -6.822 1.850 51 HD3 LYS 11 2HD LYS 11 -4.581 -5.927 2.488 52 HE2 LYS 11 1HE LYS 11 -4.424 -8.928 2.571 53 HE3 LYS 11 2HE LYS 11 -3.760 -7.914 3.851 54 HZ1 LYS 11 3HZ LYS 11 -5.773 -7.777 4.724 55 HZ2 LYS 11 1HZ LYS 11 -6.417 -8.722 3.476 56 HZ3 LYS 11 2HZ LYS 11 -6.358 -7.039 3.318 57 HA PRO 12 HA PRO 12 -4.957 -3.910 -4.840 58 HB2 PRO 12 1HB PRO 12 -5.899 -1.585 -3.803 59 HB3 PRO 12 2HB PRO 12 -6.957 -2.862 -4.416 60 HG2 PRO 12 1HG PRO 12 -6.181 -2.238 -1.593 61 HG3 PRO 12 2HG PRO 12 -7.772 -2.666 -2.247 62 HD2 PRO 12 1HD PRO 12 -6.192 -4.456 -0.970 63 HD3 PRO 12 2HD PRO 12 -7.288 -4.920 -2.287 64 H TYR 13 H TYR 13 -3.362 -4.010 -1.956 65 HA TYR 13 HA TYR 13 -1.431 -1.987 -2.854 66 HB2 TYR 13 1HB TYR 13 -2.384 -2.352 -0.006 67 HB3 TYR 13 2HB TYR 13 -1.068 -1.296 -0.507 68 HD1 TYR 13 HD2 TYR 13 -1.622 0.606 -2.124 69 HD2 TYR 13 HD1 TYR 13 -4.595 -1.580 -0.005 70 HE1 TYR 13 HE2 TYR 13 -3.225 2.434 -2.498 71 HE2 TYR 13 HE1 TYR 13 -6.206 0.242 -0.374 72 HH TYR 13 HH TYR 13 -6.133 2.353 -2.522 73 H LYS 14 H LYS 14 0.022 -3.485 -3.595 74 HA LYS 14 HA LYS 14 1.312 -5.125 -1.528 75 HB2 LYS 14 1HB LYS 14 0.068 -6.749 -2.696 76 HB3 LYS 14 2HB LYS 14 0.391 -6.000 -4.254 77 HG2 LYS 14 1HG LYS 14 2.700 -7.029 -2.700 78 HG3 LYS 14 2HG LYS 14 1.628 -8.196 -3.477 79 HD2 LYS 14 1HD LYS 14 1.931 -6.671 -5.567 80 HD3 LYS 14 2HD LYS 14 3.364 -6.094 -4.712 81 HE2 LYS 14 1HE LYS 14 4.258 -7.819 -5.932 82 HE3 LYS 14 2HE LYS 14 3.846 -8.657 -4.437 83 HZ1 LYS 14 3HZ LYS 14 2.082 -8.574 -6.821 84 HZ2 LYS 14 1HZ LYS 14 1.878 -9.517 -5.431 85 HZ3 LYS 14 2HZ LYS 14 3.159 -9.836 -6.489 86 H CYS 15 H CYS 15 3.508 -5.166 -1.590 87 HA CYS 15 HA CYS 15 4.807 -3.226 -3.282 88 HB2 CYS 15 1HB CYS 15 5.486 -3.381 -0.960 89 HB3 CYS 15 2HB CYS 15 5.886 -5.085 -1.154 90 H ASN 16 H ASN 16 6.237 -3.594 -4.921 91 HA ASN 16 HA ASN 16 6.293 -6.328 -5.976 92 HB2 ASN 16 1HB ASN 16 6.834 -3.652 -7.274 93 HB3 ASN 16 2HB ASN 16 7.085 -5.194 -8.086 94 HD21 ASN 16 1HD2 ASN 16 5.549 -5.110 -9.611 95 HD22 ASN 16 2HD2 ASN 16 3.856 -4.980 -9.293 96 H GLU 17 H GLU 17 8.323 -3.825 -4.696 97 HA GLU 17 HA GLU 17 10.814 -4.556 -5.680 98 HB2 GLU 17 1HB GLU 17 9.937 -3.308 -3.092 99 HB3 GLU 17 2HB GLU 17 11.633 -3.663 -3.391 100 HG2 GLU 17 1HG GLU 17 9.841 -1.763 -4.861 101 HG3 GLU 17 2HG GLU 17 11.333 -1.416 -3.989 102 H CYS 18 H CYS 18 9.017 -5.835 -2.915 103 HA CYS 18 HA CYS 18 10.912 -8.090 -2.834 104 HB2 CYS 18 1HB CYS 18 10.511 -8.231 -0.393 105 HB3 CYS 18 2HB CYS 18 11.272 -6.715 -0.864 106 H GLY 19 H GLY 19 7.614 -7.033 -2.014 107 HA2 GLY 19 1HA GLY 19 5.849 -8.429 -3.127 108 HA3 GLY 19 2HA GLY 19 6.723 -9.811 -2.485 109 H LYS 20 H LYS 20 6.339 -6.868 -0.654 110 HA LYS 20 HA LYS 20 5.065 -8.306 1.481 111 HB2 LYS 20 1HB LYS 20 6.724 -6.226 1.504 112 HB3 LYS 20 2HB LYS 20 5.212 -5.328 1.481 113 HG2 LYS 20 1HG LYS 20 5.486 -5.495 3.721 114 HG3 LYS 20 2HG LYS 20 4.623 -7.010 3.446 115 HD2 LYS 20 1HD LYS 20 7.096 -7.901 3.062 116 HD3 LYS 20 2HD LYS 20 7.480 -6.536 4.112 117 HE2 LYS 20 1HE LYS 20 5.296 -8.422 4.880 118 HE3 LYS 20 2HE LYS 20 6.977 -8.892 5.130 119 HZ1 LYS 20 3HZ LYS 20 6.663 -7.840 7.078 120 HZ2 LYS 20 1HZ LYS 20 5.389 -6.887 6.503 121 HZ3 LYS 20 2HZ LYS 20 6.988 -6.448 6.174 122 H VAL 21 H VAL 21 3.061 -7.546 2.517 123 HA VAL 21 HA VAL 21 1.154 -6.351 0.624 124 HB VAL 21 HB VAL 21 0.698 -8.841 2.269 125 HG11 VAL 21 1HG1 VAL 21 -1.351 -7.838 2.487 126 HG12 VAL 21 2HG1 VAL 21 -1.203 -6.953 0.967 127 HG13 VAL 21 3HG1 VAL 21 -1.570 -8.679 0.952 128 HG21 VAL 21 3HG2 VAL 21 0.432 -9.978 0.210 129 HG22 VAL 21 1HG2 VAL 21 0.397 -8.468 -0.701 130 HG23 VAL 21 2HG2 VAL 21 1.899 -9.012 0.048 131 H PHE 22 H PHE 22 -0.488 -5.126 1.531 132 HA PHE 22 HA PHE 22 -0.617 -4.888 4.435 133 HB2 PHE 22 1HB PHE 22 -0.298 -2.409 2.750 134 HB3 PHE 22 2HB PHE 22 -0.209 -2.554 4.502 135 HD1 PHE 22 HD1 PHE 22 1.541 -3.310 1.345 136 HD2 PHE 22 HD2 PHE 22 1.818 -3.095 5.587 137 HE1 PHE 22 HE1 PHE 22 3.985 -3.552 1.194 138 HE2 PHE 22 HE2 PHE 22 4.262 -3.336 5.443 139 HZ PHE 22 HZ PHE 22 5.349 -3.564 3.245 140 H THR 23 H THR 23 -2.494 -3.688 5.174 141 HA THR 23 HA THR 23 -4.793 -4.237 3.536 142 HB THR 23 HB THR 23 -6.108 -3.399 5.443 143 HG1 THR 23 HG1 THR 23 -3.538 -2.646 6.368 144 HG21 THR 23 3HG2 THR 23 -3.910 -5.171 6.487 145 HG22 THR 23 1HG2 THR 23 -5.129 -5.744 5.350 146 HG23 THR 23 2HG2 THR 23 -5.613 -5.160 6.942 147 H GLN 24 H GLN 24 -3.488 -1.280 5.049 148 HA GLN 24 HA GLN 24 -5.182 0.361 3.351 149 HB2 GLN 24 1HB GLN 24 -3.184 1.143 5.481 150 HB3 GLN 24 2HB GLN 24 -4.272 2.248 4.651 151 HG2 GLN 24 1HG GLN 24 -6.102 0.588 5.563 152 HG3 GLN 24 2HG GLN 24 -4.850 0.234 6.752 153 HE21 GLN 24 1HE2 GLN 24 -7.003 2.651 5.484 154 HE22 GLN 24 2HE2 GLN 24 -6.854 3.763 6.797 155 H ASN 25 H ASN 25 -4.031 2.419 2.470 156 HA ASN 25 HA ASN 25 -2.003 1.478 0.637 157 HB2 ASN 25 1HB ASN 25 -2.526 3.297 -0.674 158 HB3 ASN 25 2HB ASN 25 -4.037 3.116 0.212 159 HD21 ASN 25 1HD2 ASN 25 -1.200 5.029 -0.258 160 HD22 ASN 25 2HD2 ASN 25 -1.701 6.384 0.690 161 H SER 26 H SER 26 -2.274 3.955 3.163 162 HA SER 26 HA SER 26 0.250 5.089 2.932 163 HB2 SER 26 1HB SER 26 -0.088 5.999 5.091 164 HB3 SER 26 2HB SER 26 -1.708 5.820 4.418 165 HG SER 26 HG SER 26 -0.449 3.951 6.145 166 H HIS 27 H HIS 27 -0.716 2.039 4.283 167 HA HIS 27 HA HIS 27 1.593 1.536 5.843 168 HB2 HIS 27 1HB HIS 27 -0.445 -0.307 4.592 169 HB3 HIS 27 2HB HIS 27 0.862 -0.880 5.624 170 HD1 HIS 27 HD1 HIS 27 -0.354 -1.565 7.690 171 HD2 HIS 27 HD2 HIS 27 -1.479 2.214 6.380 172 HE1 HIS 27 HE1 HIS 27 -1.858 -0.651 9.486 173 H LEU 28 H LEU 28 0.744 0.820 2.488 174 HA LEU 28 HA LEU 28 3.105 -0.680 1.942 175 HB2 LEU 28 1HB LEU 28 1.232 -1.088 0.566 176 HB3 LEU 28 2HB LEU 28 1.030 0.625 0.205 177 HG LEU 28 HG LEU 28 3.236 0.482 -1.037 178 HD11 LEU 28 1HD1 LEU 28 3.134 -2.163 0.031 179 HD12 LEU 28 2HD1 LEU 28 4.411 -1.391 -0.908 180 HD13 LEU 28 3HD1 LEU 28 3.106 -2.245 -1.731 181 HD21 LEU 28 3HD2 LEU 28 0.827 -1.065 -1.976 182 HD22 LEU 28 1HD2 LEU 28 2.173 -0.604 -3.018 183 HD23 LEU 28 2HD2 LEU 28 1.185 0.640 -2.252 184 H THR 29 H THR 29 2.082 2.562 0.854 185 HA THR 29 HA THR 29 4.316 3.416 -0.428 186 HB THR 29 HB THR 29 3.000 5.283 1.521 187 HG1 THR 29 HG1 THR 29 1.212 4.362 0.669 188 HG21 THR 29 3HG2 THR 29 4.777 6.176 0.118 189 HG22 THR 29 1HG2 THR 29 3.223 6.854 -0.365 190 HG23 THR 29 2HG2 THR 29 3.964 5.575 -1.327 191 H ASN 30 H ASN 30 3.796 3.472 3.084 192 HA ASN 30 HA ASN 30 6.200 4.731 3.786 193 HB2 ASN 30 1HB ASN 30 4.706 4.645 5.547 194 HB3 ASN 30 2HB ASN 30 4.246 2.978 5.214 195 HD21 ASN 30 1HD2 ASN 30 5.319 1.343 6.188 196 HD22 ASN 30 2HD2 ASN 30 6.584 1.570 7.344 197 H HIS 31 H HIS 31 5.400 1.262 3.672 198 HA HIS 31 HA HIS 31 7.700 0.099 4.487 199 HB2 HIS 31 1HB HIS 31 6.003 -1.376 3.838 200 HB3 HIS 31 2HB HIS 31 5.833 -0.633 2.251 201 HD1 HIS 31 HD1 HIS 31 8.116 -2.938 4.175 202 HD2 HIS 31 HD2 HIS 31 7.385 -1.737 0.266 203 HE1 HIS 31 HE1 HIS 31 9.481 -4.481 2.731 204 H TRP 32 H TRP 32 7.114 1.111 1.116 205 HA TRP 32 HA TRP 32 9.373 0.501 -0.157 206 HB2 TRP 32 1HB TRP 32 7.680 2.949 -0.233 207 HB3 TRP 32 2HB TRP 32 9.217 2.999 -1.093 208 HD1 TRP 32 HD1 TRP 32 6.024 0.798 -0.984 209 HE1 TRP 32 HE1 TRP 32 5.630 -0.139 -3.349 210 HE3 TRP 32 HE3 TRP 32 10.193 2.646 -3.295 211 HZ2 TRP 32 HZ2 TRP 32 6.916 -0.100 -5.861 212 HZ3 TRP 32 HZ3 TRP 32 10.537 2.150 -5.680 213 HH2 TRP 32 HH2 TRP 32 8.932 0.804 -6.935 214 H ARG 33 H ARG 33 9.110 2.988 2.316 215 HA ARG 33 HA ARG 33 11.436 4.374 2.099 216 HB2 ARG 33 1HB ARG 33 10.009 3.341 4.537 217 HB3 ARG 33 2HB ARG 33 11.459 4.326 4.678 218 HG2 ARG 33 1HG ARG 33 10.132 5.935 3.082 219 HG3 ARG 33 2HG ARG 33 8.740 5.074 3.740 220 HD2 ARG 33 1HD ARG 33 8.951 6.829 5.221 221 HD3 ARG 33 2HD ARG 33 9.865 5.559 6.034 222 HE ARG 33 HE ARG 33 11.812 6.740 5.651 223 HH11 ARG 33 1HH1 ARG 33 9.160 8.196 3.930 224 HH12 ARG 33 2HH1 ARG 33 10.035 9.639 3.538 225 HH21 ARG 33 1HH2 ARG 33 12.975 8.635 5.142 226 HH22 ARG 33 2HH2 ARG 33 12.206 9.887 4.227 227 H ILE 34 H ILE 34 11.076 1.215 3.698 228 HA ILE 34 HA ILE 34 13.732 0.875 4.473 229 HB ILE 34 HB ILE 34 13.273 -1.457 4.708 230 HG12 ILE 34 1HG1 ILE 34 10.858 -2.145 3.782 231 HG13 ILE 34 2HG1 ILE 34 11.254 -0.911 2.590 232 HG21 ILE 34 1HG2 ILE 34 12.108 -0.723 6.468 233 HG22 ILE 34 2HG2 ILE 34 11.310 0.536 5.528 234 HG23 ILE 34 3HG2 ILE 34 10.675 -1.109 5.515 235 HD11 ILE 34 3HD1 ILE 34 11.876 -3.456 2.253 236 HD12 ILE 34 1HD1 ILE 34 12.900 -2.152 1.651 237 HD13 ILE 34 2HD1 ILE 34 13.305 -2.966 3.163 238 H HIS 35 H HIS 35 12.152 0.269 1.394 239 HA HIS 35 HA HIS 35 14.308 -1.156 0.208 240 HB2 HIS 35 1HB HIS 35 11.836 0.188 -0.821 241 HB3 HIS 35 2HB HIS 35 13.077 -0.330 -1.959 242 HD1 HIS 35 HD1 HIS 35 13.838 -3.015 -0.594 243 HD2 HIS 35 HD2 HIS 35 9.950 -1.731 -1.297 244 HE1 HIS 35 HE1 HIS 35 12.438 -5.104 -0.642 245 H THR 36 H THR 36 13.387 2.242 0.332 246 HA THR 36 HA THR 36 16.067 2.949 -0.610 247 HB THR 36 HB THR 36 14.646 3.078 -2.603 248 HG1 THR 36 HG1 THR 36 16.292 4.629 -2.419 249 HG21 THR 36 3HG2 THR 36 13.078 5.257 -1.249 250 HG22 THR 36 1HG2 THR 36 12.543 3.577 -1.228 251 HG23 THR 36 2HG2 THR 36 12.726 4.425 -2.764 252 H GLY 37 H GLY 37 16.926 4.167 0.937 253 HA2 GLY 37 1HA GLY 37 15.166 5.783 2.633 254 HA3 GLY 37 2HA GLY 37 16.834 5.355 2.986 255 H GLU 38 H GLU 38 16.254 7.882 3.440 256 HA GLU 38 HA GLU 38 17.003 9.411 1.050 257 HB2 GLU 38 1HB GLU 38 14.982 10.019 2.526 258 HB3 GLU 38 2HB GLU 38 16.170 10.591 3.689 259 HG2 GLU 38 1HG GLU 38 16.049 11.557 0.847 260 HG3 GLU 38 2HG GLU 38 15.193 12.335 2.176 261 H LYS 39 H LYS 39 19.045 9.997 0.799 262 HA LYS 39 HA LYS 39 21.259 10.347 1.217 263 HB2 LYS 39 1HB LYS 39 19.945 12.313 2.383 264 HB3 LYS 39 2HB LYS 39 20.546 11.562 3.855 265 HG2 LYS 39 1HG LYS 39 22.846 11.759 2.966 266 HG3 LYS 39 2HG LYS 39 22.196 12.619 1.569 267 HD2 LYS 39 1HD LYS 39 22.932 14.294 3.055 268 HD3 LYS 39 2HD LYS 39 21.176 14.247 3.232 269 HE2 LYS 39 1HE LYS 39 21.540 12.703 5.196 270 HE3 LYS 39 2HE LYS 39 23.256 13.092 5.078 271 HZ1 LYS 39 3HZ LYS 39 22.880 14.917 6.244 272 HZ2 LYS 39 1HZ LYS 39 21.230 14.553 6.342 273 HZ3 LYS 39 2HZ LYS 39 21.815 15.488 5.060 274 HA PRO 40 HA PRO 40 21.284 6.838 4.383 275 HB2 PRO 40 1HB PRO 40 21.966 4.854 2.659 276 HB3 PRO 40 2HB PRO 40 20.288 5.288 3.009 277 HG2 PRO 40 1HG PRO 40 21.998 6.063 0.678 278 HG3 PRO 40 2HG PRO 40 20.301 5.549 0.699 279 HD2 PRO 40 1HD PRO 40 21.034 8.149 0.508 280 HD3 PRO 40 2HD PRO 40 19.547 7.634 1.330 281 H SER 41 H SER 41 23.381 7.072 1.501 282 HA SER 41 HA SER 41 25.706 7.187 3.293 283 HB2 SER 41 1HB SER 41 25.300 4.865 2.252 284 HB3 SER 41 2HB SER 41 25.785 5.607 0.728 285 HG SER 41 HG SER 41 27.516 4.597 1.940 286 H GLY 42 H GLY 42 25.882 9.406 2.919 287 HA2 GLY 42 1HA GLY 42 27.551 10.248 0.885 288 HA3 GLY 42 2HA GLY 42 25.918 10.538 0.303 289 HA PRO 43 HA PRO 43 26.800 13.340 4.193 290 HB2 PRO 43 1HB PRO 43 29.428 13.933 4.525 291 HB3 PRO 43 2HB PRO 43 28.642 12.570 5.330 292 HG2 PRO 43 1HG PRO 43 30.337 12.592 2.863 293 HG3 PRO 43 2HG PRO 43 30.355 11.454 4.223 294 HD2 PRO 43 1HD PRO 43 29.132 10.896 1.873 295 HD3 PRO 43 2HD PRO 43 28.538 10.280 3.428 296 H SER 44 H SER 44 25.819 14.638 2.505 297 HA SER 44 HA SER 44 27.579 16.229 0.832 298 HB2 SER 44 1HB SER 44 25.266 15.269 0.160 299 HB3 SER 44 2HB SER 44 24.606 16.629 1.068 300 HG SER 44 HG SER 44 26.343 16.730 -1.172 301 H SER 45 H SER 45 26.887 18.656 0.682 302 HA SER 45 HA SER 45 26.827 19.718 3.431 303 HB2 SER 45 1HB SER 45 28.974 20.207 2.552 304 HB3 SER 45 2HB SER 45 28.313 20.666 0.983 305 HG SER 45 HG SER 45 28.320 22.613 1.755 306 H GLY 46 H GLY 46 25.657 21.625 3.829 307 HA2 GLY 46 1HA GLY 46 23.270 21.885 2.275 308 HA3 GLY 46 2HA GLY 46 23.715 22.857 3.670 Start of MODEL 6 1 H1 GLY 1 H GLY 1 11.125 -28.801 -7.088 2 HA2 GLY 1 1HA GLY 1 11.882 -26.028 -6.401 3 HA3 GLY 1 2HA GLY 1 10.821 -26.447 -7.737 4 H SER 2 H SER 2 10.908 -25.326 -4.627 5 HA SER 2 HA SER 2 8.406 -26.507 -3.752 6 HB2 SER 2 1HB SER 2 8.731 -25.193 -1.715 7 HB3 SER 2 2HB SER 2 10.213 -26.058 -2.122 8 HG SER 2 HG SER 2 10.613 -23.873 -1.563 9 H SER 3 H SER 3 6.442 -25.557 -3.781 10 HA SER 3 HA SER 3 6.116 -23.215 -5.436 11 HB2 SER 3 1HB SER 3 3.715 -23.653 -5.222 12 HB3 SER 3 2HB SER 3 4.576 -25.135 -5.636 13 HG SER 3 HG SER 3 3.149 -24.503 -3.382 14 H GLY 4 H GLY 4 5.495 -24.097 -2.055 15 HA2 GLY 4 1HA GLY 4 5.674 -22.671 -0.207 16 HA3 GLY 4 2HA GLY 4 5.761 -21.299 -1.303 17 H SER 5 H SER 5 4.008 -20.063 -1.525 18 HA SER 5 HA SER 5 1.354 -21.154 -1.107 19 HB2 SER 5 1HB SER 5 2.684 -19.291 0.817 20 HB3 SER 5 2HB SER 5 0.959 -19.093 0.507 21 HG SER 5 HG SER 5 0.736 -21.343 1.052 22 H SER 6 H SER 6 -0.345 -19.487 -1.524 23 HA SER 6 HA SER 6 0.518 -17.802 -3.751 24 HB2 SER 6 1HB SER 6 -1.829 -17.722 -4.381 25 HB3 SER 6 2HB SER 6 -1.364 -19.396 -4.083 26 HG SER 6 HG SER 6 -2.698 -17.697 -2.239 27 H GLY 7 H GLY 7 1.267 -16.840 -1.255 28 HA2 GLY 7 1HA GLY 7 1.132 -14.997 0.114 29 HA3 GLY 7 2HA GLY 7 0.512 -14.196 -1.321 30 H SER 8 H SER 8 -0.435 -16.103 1.500 31 HA SER 8 HA SER 8 -3.162 -16.057 1.323 32 HB2 SER 8 1HB SER 8 -1.357 -15.776 3.721 33 HB3 SER 8 2HB SER 8 -3.111 -15.865 3.884 34 HG SER 8 HG SER 8 -2.639 -17.939 3.933 35 H GLY 9 H GLY 9 -4.765 -14.594 1.499 36 HA2 GLY 9 1HA GLY 9 -5.837 -12.581 1.820 37 HA3 GLY 9 2HA GLY 9 -4.484 -12.089 2.827 38 H GLU 10 H GLU 10 -5.800 -12.128 -0.405 39 HA GLU 10 HA GLU 10 -3.565 -10.594 -1.463 40 HB2 GLU 10 1HB GLU 10 -4.522 -12.316 -2.887 41 HB3 GLU 10 2HB GLU 10 -6.112 -11.578 -2.759 42 HG2 GLU 10 1HG GLU 10 -5.291 -9.598 -3.927 43 HG3 GLU 10 2HG GLU 10 -3.696 -10.338 -4.056 44 H LYS 11 H LYS 11 -3.495 -8.467 -1.262 45 HA LYS 11 HA LYS 11 -6.034 -6.980 -1.084 46 HB2 LYS 11 1HB LYS 11 -3.445 -6.706 0.354 47 HB3 LYS 11 2HB LYS 11 -4.310 -5.226 -0.037 48 HG2 LYS 11 1HG LYS 11 -5.189 -5.648 2.014 49 HG3 LYS 11 2HG LYS 11 -6.337 -6.547 1.020 50 HD2 LYS 11 1HD LYS 11 -4.690 -8.528 1.379 51 HD3 LYS 11 2HD LYS 11 -4.113 -7.568 2.743 52 HE2 LYS 11 1HE LYS 11 -6.988 -8.359 2.299 53 HE3 LYS 11 2HE LYS 11 -5.866 -9.223 3.348 54 HZ1 LYS 11 3HZ LYS 11 -6.893 -7.838 4.829 55 HZ2 LYS 11 1HZ LYS 11 -7.090 -6.581 3.714 56 HZ3 LYS 11 2HZ LYS 11 -5.572 -6.874 4.398 57 HA PRO 12 HA PRO 12 -5.008 -4.606 -4.628 58 HB2 PRO 12 1HB PRO 12 -5.810 -2.109 -3.927 59 HB3 PRO 12 2HB PRO 12 -6.943 -3.418 -4.283 60 HG2 PRO 12 1HG PRO 12 -6.001 -2.399 -1.631 61 HG3 PRO 12 2HG PRO 12 -7.638 -2.853 -2.137 62 HD2 PRO 12 1HD PRO 12 -6.061 -4.492 -0.669 63 HD3 PRO 12 2HD PRO 12 -7.240 -5.105 -1.846 64 H TYR 13 H TYR 13 -3.261 -4.344 -1.850 65 HA TYR 13 HA TYR 13 -1.404 -2.404 -3.063 66 HB2 TYR 13 1HB TYR 13 -2.011 -2.807 -0.128 67 HB3 TYR 13 2HB TYR 13 -0.721 -1.784 -0.750 68 HD1 TYR 13 HD2 TYR 13 -1.261 0.296 -1.958 69 HD2 TYR 13 HD1 TYR 13 -4.300 -2.091 -0.177 70 HE1 TYR 13 HE2 TYR 13 -2.831 2.182 -2.123 71 HE2 TYR 13 HE1 TYR 13 -5.878 -0.212 -0.338 72 HH TYR 13 HH TYR 13 -5.466 2.376 -2.255 73 H LYS 14 H LYS 14 0.430 -3.325 -3.659 74 HA LYS 14 HA LYS 14 1.607 -5.408 -1.968 75 HB2 LYS 14 1HB LYS 14 0.391 -6.547 -3.790 76 HB3 LYS 14 2HB LYS 14 1.317 -5.629 -4.971 77 HG2 LYS 14 1HG LYS 14 3.349 -6.710 -4.313 78 HG3 LYS 14 2HG LYS 14 2.540 -7.507 -2.961 79 HD2 LYS 14 1HD LYS 14 1.180 -8.798 -4.488 80 HD3 LYS 14 2HD LYS 14 1.856 -7.933 -5.870 81 HE2 LYS 14 1HE LYS 14 4.000 -8.897 -5.529 82 HE3 LYS 14 2HE LYS 14 3.533 -9.539 -3.955 83 HZ1 LYS 14 3HZ LYS 14 3.563 -11.056 -6.061 84 HZ2 LYS 14 1HZ LYS 14 2.028 -10.395 -6.321 85 HZ3 LYS 14 2HZ LYS 14 2.355 -11.237 -4.891 86 H CYS 15 H CYS 15 3.830 -5.433 -1.920 87 HA CYS 15 HA CYS 15 5.128 -3.112 -3.144 88 HB2 CYS 15 1HB CYS 15 5.438 -3.263 -0.762 89 HB3 CYS 15 2HB CYS 15 5.964 -4.938 -0.887 90 H ASN 16 H ASN 16 5.098 -4.206 -5.252 91 HA ASN 16 HA ASN 16 6.134 -6.537 -6.057 92 HB2 ASN 16 1HB ASN 16 5.387 -4.555 -7.493 93 HB3 ASN 16 2HB ASN 16 7.051 -3.987 -7.382 94 HD21 ASN 16 1HD2 ASN 16 4.931 -6.434 -8.640 95 HD22 ASN 16 2HD2 ASN 16 6.051 -7.111 -9.768 96 H GLU 17 H GLU 17 8.015 -3.816 -4.855 97 HA GLU 17 HA GLU 17 10.572 -4.436 -5.506 98 HB2 GLU 17 1HB GLU 17 9.555 -2.629 -3.872 99 HB3 GLU 17 2HB GLU 17 10.034 -3.788 -2.640 100 HG2 GLU 17 1HG GLU 17 11.899 -2.671 -4.718 101 HG3 GLU 17 2HG GLU 17 11.707 -2.007 -3.096 102 H CYS 18 H CYS 18 9.094 -5.600 -2.473 103 HA CYS 18 HA CYS 18 10.931 -7.896 -2.564 104 HB2 CYS 18 1HB CYS 18 10.641 -8.078 -0.167 105 HB3 CYS 18 2HB CYS 18 11.079 -6.420 -0.569 106 H GLY 19 H GLY 19 7.556 -6.970 -2.069 107 HA2 GLY 19 1HA GLY 19 5.906 -8.451 -3.161 108 HA3 GLY 19 2HA GLY 19 6.821 -9.800 -2.504 109 H LYS 20 H LYS 20 6.085 -6.846 -0.751 110 HA LYS 20 HA LYS 20 4.743 -8.429 1.288 111 HB2 LYS 20 1HB LYS 20 6.512 -6.479 1.586 112 HB3 LYS 20 2HB LYS 20 5.073 -5.471 1.512 113 HG2 LYS 20 1HG LYS 20 5.175 -5.800 3.753 114 HG3 LYS 20 2HG LYS 20 4.208 -7.209 3.310 115 HD2 LYS 20 1HD LYS 20 7.186 -7.428 3.355 116 HD3 LYS 20 2HD LYS 20 6.291 -7.466 4.876 117 HE2 LYS 20 1HE LYS 20 6.297 -9.694 4.397 118 HE3 LYS 20 2HE LYS 20 4.828 -9.226 3.544 119 HZ1 LYS 20 3HZ LYS 20 7.175 -10.367 2.496 120 HZ2 LYS 20 1HZ LYS 20 6.958 -8.841 1.797 121 HZ3 LYS 20 2HZ LYS 20 5.731 -10.001 1.695 122 H VAL 21 H VAL 21 2.688 -7.805 2.180 123 HA VAL 21 HA VAL 21 0.988 -6.257 0.341 124 HB VAL 21 HB VAL 21 0.268 -8.890 1.637 125 HG11 VAL 21 1HG1 VAL 21 -1.398 -6.947 0.048 126 HG12 VAL 21 2HG1 VAL 21 -1.872 -8.616 0.369 127 HG13 VAL 21 3HG1 VAL 21 -1.661 -7.486 1.706 128 HG21 VAL 21 3HG2 VAL 21 0.951 -8.061 -1.151 129 HG22 VAL 21 1HG2 VAL 21 1.481 -9.474 -0.238 130 HG23 VAL 21 2HG2 VAL 21 -0.159 -9.405 -0.882 131 H PHE 22 H PHE 22 -0.420 -4.877 1.281 132 HA PHE 22 HA PHE 22 -0.764 -5.028 4.198 133 HB2 PHE 22 1HB PHE 22 -0.295 -2.486 2.626 134 HB3 PHE 22 2HB PHE 22 -0.547 -2.604 4.365 135 HD1 PHE 22 HD1 PHE 22 1.774 -3.443 1.620 136 HD2 PHE 22 HD2 PHE 22 1.232 -3.097 5.828 137 HE1 PHE 22 HE1 PHE 22 4.200 -3.690 1.949 138 HE2 PHE 22 HE2 PHE 22 3.657 -3.342 6.163 139 HZ PHE 22 HZ PHE 22 5.144 -3.638 4.223 140 H THR 23 H THR 23 -2.563 -3.406 4.876 141 HA THR 23 HA THR 23 -4.851 -3.922 3.114 142 HB THR 23 HB THR 23 -4.912 -4.721 5.505 143 HG1 THR 23 HG1 THR 23 -6.970 -2.834 5.148 144 HG21 THR 23 3HG2 THR 23 -4.055 -2.133 6.055 145 HG22 THR 23 1HG2 THR 23 -4.600 -3.332 7.228 146 HG23 THR 23 2HG2 THR 23 -5.741 -2.157 6.572 147 H GLN 24 H GLN 24 -3.034 -1.363 4.639 148 HA GLN 24 HA GLN 24 -4.824 0.612 3.383 149 HB2 GLN 24 1HB GLN 24 -3.122 0.836 5.866 150 HB3 GLN 24 2HB GLN 24 -3.882 2.218 5.087 151 HG2 GLN 24 1HG GLN 24 -6.071 0.900 5.360 152 HG3 GLN 24 2HG GLN 24 -5.164 -0.075 6.516 153 HE21 GLN 24 1HE2 GLN 24 -6.778 0.727 8.026 154 HE22 GLN 24 2HE2 GLN 24 -6.534 2.265 8.776 155 H ASN 25 H ASN 25 -3.951 2.213 2.124 156 HA ASN 25 HA ASN 25 -1.627 1.705 0.700 157 HB2 ASN 25 1HB ASN 25 -3.213 3.166 -0.280 158 HB3 ASN 25 2HB ASN 25 -3.204 4.240 1.116 159 HD21 ASN 25 1HD2 ASN 25 -0.982 2.919 -1.312 160 HD22 ASN 25 2HD2 ASN 25 -0.100 4.386 -1.550 161 H SER 26 H SER 26 -2.095 4.191 3.217 162 HA SER 26 HA SER 26 0.349 5.301 3.408 163 HB2 SER 26 1HB SER 26 -1.728 5.609 4.927 164 HB3 SER 26 2HB SER 26 -0.991 4.363 5.935 165 HG SER 26 HG SER 26 0.960 5.924 5.575 166 H HIS 27 H HIS 27 -0.547 2.139 4.723 167 HA HIS 27 HA HIS 27 1.857 1.558 6.031 168 HB2 HIS 27 1HB HIS 27 -0.087 -0.342 4.704 169 HB3 HIS 27 2HB HIS 27 1.166 -0.809 5.850 170 HD1 HIS 27 HD1 HIS 27 -0.519 -1.689 7.573 171 HD2 HIS 27 HD2 HIS 27 -1.060 2.313 6.597 172 HE1 HIS 27 HE1 HIS 27 -2.125 -0.791 9.287 173 H LEU 28 H LEU 28 0.830 0.890 2.701 174 HA LEU 28 HA LEU 28 3.222 -0.453 1.960 175 HB2 LEU 28 1HB LEU 28 1.248 -0.867 0.701 176 HB3 LEU 28 2HB LEU 28 1.031 0.849 0.363 177 HG LEU 28 HG LEU 28 3.182 0.712 -0.977 178 HD11 LEU 28 1HD1 LEU 28 3.527 -1.683 -1.863 179 HD12 LEU 28 2HD1 LEU 28 2.729 -2.184 -0.373 180 HD13 LEU 28 3HD1 LEU 28 4.222 -1.249 -0.301 181 HD21 LEU 28 3HD2 LEU 28 1.311 0.925 -2.295 182 HD22 LEU 28 1HD2 LEU 28 0.588 -0.570 -1.701 183 HD23 LEU 28 2HD2 LEU 28 1.932 -0.633 -2.842 184 H THR 29 H THR 29 2.011 2.690 0.785 185 HA THR 29 HA THR 29 4.215 3.653 -0.451 186 HB THR 29 HB THR 29 2.222 4.974 -0.450 187 HG1 THR 29 HG1 THR 29 3.359 6.757 -0.543 188 HG21 THR 29 3HG2 THR 29 1.809 6.316 1.791 189 HG22 THR 29 1HG2 THR 29 2.567 4.894 2.508 190 HG23 THR 29 2HG2 THR 29 1.105 4.719 1.537 191 H ASN 30 H ASN 30 3.805 3.221 2.970 192 HA ASN 30 HA ASN 30 6.105 4.823 3.674 193 HB2 ASN 30 1HB ASN 30 4.537 4.865 5.383 194 HB3 ASN 30 2HB ASN 30 4.122 3.165 5.185 195 HD21 ASN 30 1HD2 ASN 30 4.338 3.014 7.482 196 HD22 ASN 30 2HD2 ASN 30 5.902 2.840 8.195 197 H HIS 31 H HIS 31 5.276 1.361 3.772 198 HA HIS 31 HA HIS 31 7.587 0.276 4.716 199 HB2 HIS 31 1HB HIS 31 5.778 -1.182 4.219 200 HB3 HIS 31 2HB HIS 31 5.763 -0.705 2.523 201 HD1 HIS 31 HD1 HIS 31 7.695 -2.803 4.973 202 HD2 HIS 31 HD2 HIS 31 7.503 -2.100 0.883 203 HE1 HIS 31 HE1 HIS 31 9.119 -4.587 3.916 204 H TRP 32 H TRP 32 6.943 1.027 1.292 205 HA TRP 32 HA TRP 32 9.163 0.245 0.024 206 HB2 TRP 32 1HB TRP 32 7.516 2.714 -0.231 207 HB3 TRP 32 2HB TRP 32 9.026 2.643 -1.135 208 HD1 TRP 32 HD1 TRP 32 5.803 0.520 -0.719 209 HE1 TRP 32 HE1 TRP 32 5.307 -0.613 -2.976 210 HE3 TRP 32 HE3 TRP 32 9.901 2.097 -3.336 211 HZ2 TRP 32 HZ2 TRP 32 6.496 -0.812 -5.528 212 HZ3 TRP 32 HZ3 TRP 32 10.147 1.391 -5.680 213 HH2 TRP 32 HH2 TRP 32 8.479 -0.034 -6.752 214 H ARG 33 H ARG 33 9.020 2.787 2.408 215 HA ARG 33 HA ARG 33 11.279 4.239 2.036 216 HB2 ARG 33 1HB ARG 33 9.966 3.195 4.514 217 HB3 ARG 33 2HB ARG 33 11.496 4.052 4.651 218 HG2 ARG 33 1HG ARG 33 10.274 5.846 3.188 219 HG3 ARG 33 2HG ARG 33 8.824 5.061 3.816 220 HD2 ARG 33 1HD ARG 33 9.460 6.941 5.221 221 HD3 ARG 33 2HD ARG 33 9.625 5.423 6.101 222 HE ARG 33 HE ARG 33 12.103 5.936 5.016 223 HH11 ARG 33 1HH1 ARG 33 9.919 7.530 7.209 224 HH12 ARG 33 2HH1 ARG 33 11.180 8.317 8.099 225 HH21 ARG 33 1HH2 ARG 33 13.772 6.967 6.180 226 HH22 ARG 33 2HH2 ARG 33 13.372 7.997 7.512 227 H ILE 34 H ILE 34 11.205 1.180 3.874 228 HA ILE 34 HA ILE 34 13.910 0.906 4.333 229 HB ILE 34 HB ILE 34 13.537 -1.505 4.521 230 HG12 ILE 34 1HG1 ILE 34 10.667 -1.198 3.764 231 HG13 ILE 34 2HG1 ILE 34 11.854 -1.342 2.472 232 HG21 ILE 34 1HG2 ILE 34 12.902 -0.518 6.485 233 HG22 ILE 34 2HG2 ILE 34 11.628 0.433 5.723 234 HG23 ILE 34 3HG2 ILE 34 11.384 -1.288 6.022 235 HD11 ILE 34 3HD1 ILE 34 10.816 -3.355 4.304 236 HD12 ILE 34 1HD1 ILE 34 11.545 -3.534 2.709 237 HD13 ILE 34 2HD1 ILE 34 12.571 -3.379 4.135 238 H HIS 35 H HIS 35 12.141 0.443 1.384 239 HA HIS 35 HA HIS 35 14.314 -0.951 0.066 240 HB2 HIS 35 1HB HIS 35 11.647 0.069 -0.918 241 HB3 HIS 35 2HB HIS 35 12.820 -0.733 -1.957 242 HD1 HIS 35 HD1 HIS 35 13.669 -3.077 -0.237 243 HD2 HIS 35 HD2 HIS 35 9.727 -1.808 -0.569 244 HE1 HIS 35 HE1 HIS 35 12.266 -5.074 0.372 245 H THR 36 H THR 36 12.903 2.270 0.144 246 HA THR 36 HA THR 36 14.465 3.311 -2.005 247 HB THR 36 HB THR 36 13.694 5.515 -1.274 248 HG1 THR 36 HG1 THR 36 13.315 4.171 1.085 249 HG21 THR 36 3HG2 THR 36 12.191 3.844 -2.511 250 HG22 THR 36 1HG2 THR 36 11.412 5.225 -1.741 251 HG23 THR 36 2HG2 THR 36 11.364 3.641 -0.967 252 H GLY 37 H GLY 37 16.608 3.493 -1.910 253 HA2 GLY 37 1HA GLY 37 17.913 5.140 -0.041 254 HA3 GLY 37 2HA GLY 37 18.141 3.466 0.440 255 H GLU 38 H GLU 38 20.390 4.698 -0.053 256 HA GLU 38 HA GLU 38 21.117 4.272 -2.856 257 HB2 GLU 38 1HB GLU 38 23.202 5.435 -2.293 258 HB3 GLU 38 2HB GLU 38 21.794 6.395 -1.862 259 HG2 GLU 38 1HG GLU 38 22.086 5.400 0.485 260 HG3 GLU 38 2HG GLU 38 23.697 4.943 -0.068 261 H LYS 39 H LYS 39 20.971 2.485 -0.119 262 HA LYS 39 HA LYS 39 23.136 0.724 -1.034 263 HB2 LYS 39 1HB LYS 39 22.683 1.825 1.700 264 HB3 LYS 39 2HB LYS 39 23.270 0.173 1.560 265 HG2 LYS 39 1HG LYS 39 25.051 1.208 -0.014 266 HG3 LYS 39 2HG LYS 39 24.599 2.726 0.765 267 HD2 LYS 39 1HD LYS 39 25.198 0.357 2.472 268 HD3 LYS 39 2HD LYS 39 26.540 1.228 1.726 269 HE2 LYS 39 1HE LYS 39 24.391 2.606 3.316 270 HE3 LYS 39 2HE LYS 39 25.854 1.962 4.059 271 HZ1 LYS 39 3HZ LYS 39 25.510 4.293 2.355 272 HZ2 LYS 39 1HZ LYS 39 26.910 3.382 2.087 273 HZ3 LYS 39 2HZ LYS 39 26.602 4.027 3.620 274 HA PRO 40 HA PRO 40 18.956 -1.364 -0.371 275 HB2 PRO 40 1HB PRO 40 18.567 -2.110 -2.953 276 HB3 PRO 40 2HB PRO 40 18.010 -0.562 -2.306 277 HG2 PRO 40 1HG PRO 40 20.461 -1.172 -3.912 278 HG3 PRO 40 2HG PRO 40 19.332 0.187 -4.066 279 HD2 PRO 40 1HD PRO 40 21.723 0.415 -2.816 280 HD3 PRO 40 2HD PRO 40 20.295 1.349 -2.325 281 H SER 41 H SER 41 21.430 -2.333 -2.757 282 HA SER 41 HA SER 41 22.171 -4.458 -3.300 283 HB2 SER 41 1HB SER 41 22.779 -4.070 -0.370 284 HB3 SER 41 2HB SER 41 23.394 -5.448 -1.282 285 HG SER 41 HG SER 41 24.161 -2.806 -1.341 286 H GLY 42 H GLY 42 19.419 -4.591 -2.994 287 HA2 GLY 42 1HA GLY 42 17.669 -5.979 -2.375 288 HA3 GLY 42 2HA GLY 42 18.803 -7.212 -2.904 289 HA PRO 43 HA PRO 43 17.729 -8.189 1.465 290 HB2 PRO 43 1HB PRO 43 17.630 -10.873 1.068 291 HB3 PRO 43 2HB PRO 43 16.254 -9.806 0.766 292 HG2 PRO 43 1HG PRO 43 18.225 -10.950 -1.175 293 HG3 PRO 43 2HG PRO 43 16.465 -10.797 -1.327 294 HD2 PRO 43 1HD PRO 43 18.184 -9.073 -2.511 295 HD3 PRO 43 2HD PRO 43 16.583 -8.575 -1.927 296 H SER 44 H SER 44 18.823 -9.956 2.873 297 HA SER 44 HA SER 44 21.534 -9.432 3.050 298 HB2 SER 44 1HB SER 44 19.990 -11.825 4.074 299 HB3 SER 44 2HB SER 44 21.635 -11.420 4.562 300 HG SER 44 HG SER 44 19.917 -10.634 5.971 301 H SER 45 H SER 45 22.878 -9.767 1.380 302 HA SER 45 HA SER 45 22.829 -12.384 0.041 303 HB2 SER 45 1HB SER 45 24.105 -11.284 -1.764 304 HB3 SER 45 2HB SER 45 22.576 -10.461 -1.457 305 HG SER 45 HG SER 45 24.658 -9.187 -1.645 306 H GLY 46 H GLY 46 25.029 -10.007 1.493 307 HA2 GLY 46 1HA GLY 46 27.125 -10.235 2.402 308 HA3 GLY 46 2HA GLY 46 26.645 -11.885 2.773 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -8.485 -31.809 -7.259 2 HA2 GLY 1 1HA GLY 1 -9.201 -29.855 -5.958 3 HA3 GLY 1 2HA GLY 1 -8.240 -29.330 -7.332 4 H SER 2 H SER 2 -11.581 -30.520 -7.231 5 HA SER 2 HA SER 2 -12.622 -28.773 -9.082 6 HB2 SER 2 1HB SER 2 -14.840 -29.188 -7.946 7 HB3 SER 2 2HB SER 2 -13.935 -30.643 -8.359 8 HG SER 2 HG SER 2 -13.147 -30.562 -6.134 9 H SER 3 H SER 3 -12.958 -28.405 -5.548 10 HA SER 3 HA SER 3 -13.737 -25.642 -5.848 11 HB2 SER 3 1HB SER 3 -13.942 -25.657 -3.401 12 HB3 SER 3 2HB SER 3 -14.762 -27.050 -4.106 13 HG SER 3 HG SER 3 -12.504 -26.937 -2.503 14 H GLY 4 H GLY 4 -12.569 -23.837 -5.280 15 HA2 GLY 4 1HA GLY 4 -10.139 -23.798 -3.892 16 HA3 GLY 4 2HA GLY 4 -9.770 -23.940 -5.605 17 H SER 5 H SER 5 -12.260 -22.115 -3.830 18 HA SER 5 HA SER 5 -11.116 -19.640 -4.935 19 HB2 SER 5 1HB SER 5 -14.059 -20.350 -4.856 20 HB3 SER 5 2HB SER 5 -13.394 -18.800 -5.372 21 HG SER 5 HG SER 5 -13.502 -19.802 -7.250 22 H SER 6 H SER 6 -10.610 -20.588 -2.378 23 HA SER 6 HA SER 6 -12.187 -18.736 -0.712 24 HB2 SER 6 1HB SER 6 -10.893 -21.352 0.094 25 HB3 SER 6 2HB SER 6 -11.678 -20.232 1.207 26 HG SER 6 HG SER 6 -13.559 -20.932 0.572 27 H GLY 7 H GLY 7 -10.864 -18.240 1.403 28 HA2 GLY 7 1HA GLY 7 -8.955 -17.389 2.391 29 HA3 GLY 7 2HA GLY 7 -8.013 -18.093 1.084 30 H SER 8 H SER 8 -9.732 -15.283 2.201 31 HA SER 8 HA SER 8 -9.583 -13.725 -0.139 32 HB2 SER 8 1HB SER 8 -9.713 -12.941 2.778 33 HB3 SER 8 2HB SER 8 -9.808 -11.778 1.456 34 HG SER 8 HG SER 8 -11.839 -12.789 2.418 35 H GLY 9 H GLY 9 -8.049 -12.368 -0.948 36 HA2 GLY 9 1HA GLY 9 -5.776 -11.457 0.453 37 HA3 GLY 9 2HA GLY 9 -5.348 -12.899 -0.457 38 H GLU 10 H GLU 10 -3.890 -11.611 -1.695 39 HA GLU 10 HA GLU 10 -3.253 -10.368 -3.492 40 HB2 GLU 10 1HB GLU 10 -5.993 -11.300 -4.293 41 HB3 GLU 10 2HB GLU 10 -5.067 -10.239 -5.346 42 HG2 GLU 10 1HG GLU 10 -4.728 -12.494 -6.045 43 HG3 GLU 10 2HG GLU 10 -3.231 -11.898 -5.329 44 H LYS 11 H LYS 11 -4.257 -8.935 -1.253 45 HA LYS 11 HA LYS 11 -6.116 -6.997 -1.582 46 HB2 LYS 11 1HB LYS 11 -3.394 -6.901 -0.320 47 HB3 LYS 11 2HB LYS 11 -4.412 -5.467 -0.345 48 HG2 LYS 11 1HG LYS 11 -4.779 -6.511 1.734 49 HG3 LYS 11 2HG LYS 11 -6.203 -6.857 0.750 50 HD2 LYS 11 1HD LYS 11 -5.498 -9.080 0.347 51 HD3 LYS 11 2HD LYS 11 -3.879 -8.756 0.969 52 HE2 LYS 11 1HE LYS 11 -5.109 -10.002 2.615 53 HE3 LYS 11 2HE LYS 11 -4.872 -8.359 3.206 54 HZ1 LYS 11 3HZ LYS 11 -7.219 -9.601 3.228 55 HZ2 LYS 11 1HZ LYS 11 -7.324 -8.832 1.725 56 HZ3 LYS 11 2HZ LYS 11 -7.063 -7.920 3.125 57 HA PRO 12 HA PRO 12 -5.068 -4.354 -4.925 58 HB2 PRO 12 1HB PRO 12 -5.838 -1.927 -3.983 59 HB3 PRO 12 2HB PRO 12 -6.988 -3.181 -4.461 60 HG2 PRO 12 1HG PRO 12 -6.029 -2.435 -1.726 61 HG3 PRO 12 2HG PRO 12 -7.673 -2.818 -2.269 62 HD2 PRO 12 1HD PRO 12 -6.113 -4.610 -0.970 63 HD3 PRO 12 2HD PRO 12 -7.302 -5.092 -2.198 64 H TYR 13 H TYR 13 -3.314 -4.384 -2.140 65 HA TYR 13 HA TYR 13 -1.372 -2.463 -3.229 66 HB2 TYR 13 1HB TYR 13 -1.984 -2.806 -0.288 67 HB3 TYR 13 2HB TYR 13 -0.829 -1.681 -0.995 68 HD1 TYR 13 HD2 TYR 13 -1.715 0.179 -2.474 69 HD2 TYR 13 HD1 TYR 13 -4.243 -2.208 -0.022 70 HE1 TYR 13 HE2 TYR 13 -3.472 1.894 -2.625 71 HE2 TYR 13 HE1 TYR 13 -6.007 -0.501 -0.167 72 HH TYR 13 HH TYR 13 -6.176 1.939 -0.611 73 H LYS 14 H LYS 14 0.418 -3.509 -3.748 74 HA LYS 14 HA LYS 14 1.524 -5.480 -1.903 75 HB2 LYS 14 1HB LYS 14 0.157 -6.735 -3.566 76 HB3 LYS 14 2HB LYS 14 1.162 -6.068 -4.846 77 HG2 LYS 14 1HG LYS 14 3.133 -7.137 -3.717 78 HG3 LYS 14 2HG LYS 14 1.984 -7.961 -2.660 79 HD2 LYS 14 1HD LYS 14 0.965 -9.063 -4.540 80 HD3 LYS 14 2HD LYS 14 1.947 -8.131 -5.672 81 HE2 LYS 14 1HE LYS 14 3.215 -9.875 -3.589 82 HE3 LYS 14 2HE LYS 14 2.652 -10.549 -5.118 83 HZ1 LYS 14 3HZ LYS 14 4.180 -8.218 -5.587 84 HZ2 LYS 14 1HZ LYS 14 4.461 -9.798 -6.122 85 HZ3 LYS 14 2HZ LYS 14 5.066 -9.292 -4.626 86 H CYS 15 H CYS 15 3.656 -5.236 -1.672 87 HA CYS 15 HA CYS 15 5.021 -3.245 -3.254 88 HB2 CYS 15 1HB CYS 15 5.316 -3.461 -0.778 89 HB3 CYS 15 2HB CYS 15 6.132 -4.996 -1.053 90 H ASN 16 H ASN 16 5.157 -4.181 -5.311 91 HA ASN 16 HA ASN 16 5.992 -6.710 -5.994 92 HB2 ASN 16 1HB ASN 16 5.248 -5.439 -7.793 93 HB3 ASN 16 2HB ASN 16 6.236 -4.049 -7.351 94 HD21 ASN 16 1HD2 ASN 16 6.020 -6.889 -9.203 95 HD22 ASN 16 2HD2 ASN 16 7.599 -6.835 -9.903 96 H GLU 17 H GLU 17 7.930 -3.960 -5.000 97 HA GLU 17 HA GLU 17 10.454 -4.615 -5.763 98 HB2 GLU 17 1HB GLU 17 9.860 -2.628 -4.415 99 HB3 GLU 17 2HB GLU 17 9.676 -3.658 -3.003 100 HG2 GLU 17 1HG GLU 17 11.787 -2.797 -2.713 101 HG3 GLU 17 2HG GLU 17 12.119 -4.348 -3.482 102 H CYS 18 H CYS 18 9.058 -5.673 -2.652 103 HA CYS 18 HA CYS 18 10.919 -7.951 -2.695 104 HB2 CYS 18 1HB CYS 18 10.605 -8.058 -0.262 105 HB3 CYS 18 2HB CYS 18 11.176 -6.469 -0.760 106 H GLY 19 H GLY 19 7.555 -7.030 -2.103 107 HA2 GLY 19 1HA GLY 19 5.859 -8.530 -3.073 108 HA3 GLY 19 2HA GLY 19 6.824 -9.870 -2.472 109 H LYS 20 H LYS 20 5.710 -6.849 -0.953 110 HA LYS 20 HA LYS 20 4.654 -8.465 1.262 111 HB2 LYS 20 1HB LYS 20 6.396 -6.478 1.478 112 HB3 LYS 20 2HB LYS 20 4.935 -5.499 1.448 113 HG2 LYS 20 1HG LYS 20 5.121 -5.805 3.686 114 HG3 LYS 20 2HG LYS 20 4.171 -7.239 3.291 115 HD2 LYS 20 1HD LYS 20 7.135 -7.449 3.176 116 HD3 LYS 20 2HD LYS 20 6.370 -7.377 4.766 117 HE2 LYS 20 1HE LYS 20 5.855 -9.381 2.575 118 HE3 LYS 20 2HE LYS 20 6.615 -9.679 4.137 119 HZ1 LYS 20 3HZ LYS 20 4.432 -10.414 4.384 120 HZ2 LYS 20 1HZ LYS 20 3.777 -9.090 3.561 121 HZ3 LYS 20 2HZ LYS 20 4.421 -8.887 5.111 122 H VAL 21 H VAL 21 2.644 -7.745 2.278 123 HA VAL 21 HA VAL 21 0.842 -6.317 0.444 124 HB VAL 21 HB VAL 21 0.122 -8.845 1.934 125 HG11 VAL 21 1HG1 VAL 21 -1.902 -8.594 0.306 126 HG12 VAL 21 2HG1 VAL 21 -1.866 -7.684 1.818 127 HG13 VAL 21 3HG1 VAL 21 -1.438 -6.893 0.301 128 HG21 VAL 21 3HG2 VAL 21 -0.145 -9.751 -0.413 129 HG22 VAL 21 1HG2 VAL 21 0.744 -8.331 -0.964 130 HG23 VAL 21 2HG2 VAL 21 1.512 -9.484 0.128 131 H PHE 22 H PHE 22 -0.526 -4.902 1.387 132 HA PHE 22 HA PHE 22 -0.756 -4.938 4.317 133 HB2 PHE 22 1HB PHE 22 -0.382 -2.427 2.677 134 HB3 PHE 22 2HB PHE 22 -0.459 -2.546 4.432 135 HD1 PHE 22 HD1 PHE 22 1.565 -3.479 1.477 136 HD2 PHE 22 HD2 PHE 22 1.467 -2.949 5.699 137 HE1 PHE 22 HE1 PHE 22 4.011 -3.727 1.561 138 HE2 PHE 22 HE2 PHE 22 3.913 -3.196 5.790 139 HZ PHE 22 HZ PHE 22 5.189 -3.585 3.719 140 H THR 23 H THR 23 -2.568 -3.509 5.088 141 HA THR 23 HA THR 23 -4.911 -4.036 3.441 142 HB THR 23 HB THR 23 -4.978 -4.666 5.818 143 HG1 THR 23 HG1 THR 23 -6.766 -2.499 5.389 144 HG21 THR 23 3HG2 THR 23 -4.543 -3.266 7.541 145 HG22 THR 23 1HG2 THR 23 -5.264 -1.875 6.732 146 HG23 THR 23 2HG2 THR 23 -3.626 -2.383 6.321 147 H GLN 24 H GLN 24 -3.150 -1.317 4.824 148 HA GLN 24 HA GLN 24 -5.009 0.546 3.525 149 HB2 GLN 24 1HB GLN 24 -2.952 0.917 5.697 150 HB3 GLN 24 2HB GLN 24 -3.730 2.273 4.890 151 HG2 GLN 24 1HG GLN 24 -5.905 1.501 5.648 152 HG3 GLN 24 2HG GLN 24 -5.152 0.107 6.421 153 HE21 GLN 24 1HE2 GLN 24 -5.902 0.674 8.451 154 HE22 GLN 24 2HE2 GLN 24 -5.258 2.008 9.339 155 H ASN 25 H ASN 25 -3.803 2.635 2.767 156 HA ASN 25 HA ASN 25 -1.928 1.766 0.738 157 HB2 ASN 25 1HB ASN 25 -3.735 3.286 0.108 158 HB3 ASN 25 2HB ASN 25 -3.163 4.477 1.272 159 HD21 ASN 25 1HD2 ASN 25 -1.739 5.939 0.617 160 HD22 ASN 25 2HD2 ASN 25 -0.881 5.901 -0.881 161 H SER 26 H SER 26 -1.974 4.089 3.425 162 HA SER 26 HA SER 26 0.563 5.155 3.148 163 HB2 SER 26 1HB SER 26 -1.094 4.607 5.611 164 HB3 SER 26 2HB SER 26 0.453 5.451 5.683 165 HG SER 26 HG SER 26 -1.968 6.259 4.511 166 H HIS 27 H HIS 27 -0.432 2.128 4.655 167 HA HIS 27 HA HIS 27 1.950 1.418 5.903 168 HB2 HIS 27 1HB HIS 27 -0.094 -0.371 4.571 169 HB3 HIS 27 2HB HIS 27 1.159 -0.924 5.678 170 HD1 HIS 27 HD1 HIS 27 -0.460 -1.744 7.467 171 HD2 HIS 27 HD2 HIS 27 -0.963 2.264 6.495 172 HE1 HIS 27 HE1 HIS 27 -2.001 -0.814 9.224 173 H LEU 28 H LEU 28 0.896 0.852 2.565 174 HA LEU 28 HA LEU 28 3.251 -0.573 1.819 175 HB2 LEU 28 1HB LEU 28 1.254 -0.965 0.586 176 HB3 LEU 28 2HB LEU 28 1.067 0.751 0.228 177 HG LEU 28 HG LEU 28 3.163 0.584 -1.154 178 HD11 LEU 28 1HD1 LEU 28 2.938 -2.240 -1.638 179 HD12 LEU 28 2HD1 LEU 28 3.334 -1.930 0.053 180 HD13 LEU 28 3HD1 LEU 28 4.360 -1.281 -1.226 181 HD21 LEU 28 3HD2 LEU 28 0.830 -1.143 -1.977 182 HD22 LEU 28 1HD2 LEU 28 2.027 -0.431 -3.058 183 HD23 LEU 28 2HD2 LEU 28 0.931 0.610 -2.150 184 H THR 29 H THR 29 2.119 2.752 1.281 185 HA THR 29 HA THR 29 4.279 3.666 -0.227 186 HB THR 29 HB THR 29 2.326 5.056 1.579 187 HG1 THR 29 HG1 THR 29 2.004 4.289 -0.740 188 HG21 THR 29 3HG2 THR 29 3.434 7.157 0.371 189 HG22 THR 29 1HG2 THR 29 4.866 6.136 0.483 190 HG23 THR 29 2HG2 THR 29 3.984 6.581 1.944 191 H ASN 30 H ASN 30 3.849 3.476 3.274 192 HA ASN 30 HA ASN 30 6.248 4.855 3.928 193 HB2 ASN 30 1HB ASN 30 4.299 3.153 5.430 194 HB3 ASN 30 2HB ASN 30 5.853 3.526 6.169 195 HD21 ASN 30 1HD2 ASN 30 5.639 5.106 7.565 196 HD22 ASN 30 2HD2 ASN 30 4.685 6.532 7.356 197 H HIS 31 H HIS 31 5.396 1.411 3.753 198 HA HIS 31 HA HIS 31 7.698 0.233 4.632 199 HB2 HIS 31 1HB HIS 31 5.865 -1.158 4.018 200 HB3 HIS 31 2HB HIS 31 5.876 -0.561 2.361 201 HD1 HIS 31 HD1 HIS 31 7.813 -2.809 4.683 202 HD2 HIS 31 HD2 HIS 31 7.559 -1.902 0.637 203 HE1 HIS 31 HE1 HIS 31 9.213 -4.542 3.516 204 H TRP 32 H TRP 32 7.060 1.205 1.261 205 HA TRP 32 HA TRP 32 9.314 0.515 -0.020 206 HB2 TRP 32 1HB TRP 32 7.587 2.933 -0.197 207 HB3 TRP 32 2HB TRP 32 9.115 2.965 -1.072 208 HD1 TRP 32 HD1 TRP 32 5.991 0.673 -0.812 209 HE1 TRP 32 HE1 TRP 32 5.577 -0.361 -3.133 210 HE3 TRP 32 HE3 TRP 32 10.029 2.594 -3.289 211 HZ2 TRP 32 HZ2 TRP 32 6.800 -0.363 -5.676 212 HZ3 TRP 32 HZ3 TRP 32 10.335 2.027 -5.664 213 HH2 TRP 32 HH2 TRP 32 8.753 0.579 -6.831 214 H ARG 33 H ARG 33 9.089 2.887 2.510 215 HA ARG 33 HA ARG 33 11.334 4.419 2.188 216 HB2 ARG 33 1HB ARG 33 10.117 3.260 4.690 217 HB3 ARG 33 2HB ARG 33 11.472 4.379 4.739 218 HG2 ARG 33 1HG ARG 33 10.182 6.122 3.782 219 HG3 ARG 33 2HG ARG 33 8.870 5.014 3.376 220 HD2 ARG 33 1HD ARG 33 8.336 4.697 5.687 221 HD3 ARG 33 2HD ARG 33 9.771 5.588 6.192 222 HE ARG 33 HE ARG 33 7.909 7.092 4.575 223 HH11 ARG 33 1HH1 ARG 33 8.888 6.179 7.789 224 HH12 ARG 33 2HH1 ARG 33 8.139 7.545 8.546 225 HH21 ARG 33 1HH2 ARG 33 6.919 8.895 5.560 226 HH22 ARG 33 2HH2 ARG 33 7.019 9.090 7.277 227 H ILE 34 H ILE 34 11.214 1.298 3.912 228 HA ILE 34 HA ILE 34 13.906 1.044 4.487 229 HB ILE 34 HB ILE 34 13.557 -1.345 4.660 230 HG12 ILE 34 1HG1 ILE 34 10.766 -1.144 3.621 231 HG13 ILE 34 2HG1 ILE 34 12.081 -1.237 2.455 232 HG21 ILE 34 1HG2 ILE 34 11.230 0.325 5.584 233 HG22 ILE 34 2HG2 ILE 34 11.496 -1.341 6.097 234 HG23 ILE 34 3HG2 ILE 34 12.686 -0.099 6.485 235 HD11 ILE 34 3HD1 ILE 34 12.827 -3.285 3.863 236 HD12 ILE 34 1HD1 ILE 34 11.159 -3.263 4.435 237 HD13 ILE 34 2HD1 ILE 34 11.499 -3.443 2.713 238 H HIS 35 H HIS 35 12.296 0.770 1.450 239 HA HIS 35 HA HIS 35 14.518 -0.610 0.180 240 HB2 HIS 35 1HB HIS 35 11.884 0.425 -0.878 241 HB3 HIS 35 2HB HIS 35 13.107 -0.331 -1.895 242 HD1 HIS 35 HD1 HIS 35 13.897 -2.691 -0.089 243 HD2 HIS 35 HD2 HIS 35 9.978 -1.516 -0.813 244 HE1 HIS 35 HE1 HIS 35 12.491 -4.728 0.356 245 H THR 36 H THR 36 13.052 2.593 0.269 246 HA THR 36 HA THR 36 14.958 3.646 -1.651 247 HB THR 36 HB THR 36 13.811 5.847 -1.131 248 HG1 THR 36 HG1 THR 36 12.751 5.677 0.727 249 HG21 THR 36 3HG2 THR 36 13.210 4.471 -3.072 250 HG22 THR 36 1HG2 THR 36 11.799 5.287 -2.400 251 HG23 THR 36 2HG2 THR 36 12.062 3.573 -2.079 252 H GLY 37 H GLY 37 16.934 3.360 -0.551 253 HA2 GLY 37 1HA GLY 37 17.499 5.491 1.352 254 HA3 GLY 37 2HA GLY 37 17.750 3.853 1.938 255 H GLU 38 H GLU 38 19.979 4.328 2.221 256 HA GLU 38 HA GLU 38 21.504 4.621 -0.277 257 HB2 GLU 38 1HB GLU 38 22.192 5.256 2.588 258 HB3 GLU 38 2HB GLU 38 23.413 5.177 1.326 259 HG2 GLU 38 1HG GLU 38 22.972 7.401 1.288 260 HG3 GLU 38 2HG GLU 38 21.777 6.850 0.115 261 H LYS 39 H LYS 39 22.918 3.087 -0.918 262 HA LYS 39 HA LYS 39 23.541 0.869 -1.140 263 HB2 LYS 39 1HB LYS 39 25.309 0.311 0.469 264 HB3 LYS 39 2HB LYS 39 25.451 1.971 -0.092 265 HG2 LYS 39 1HG LYS 39 24.772 2.854 1.942 266 HG3 LYS 39 2HG LYS 39 24.014 1.344 2.455 267 HD2 LYS 39 1HD LYS 39 26.976 1.548 1.998 268 HD3 LYS 39 2HD LYS 39 26.243 1.991 3.542 269 HE2 LYS 39 1HE LYS 39 25.206 -0.278 3.613 270 HE3 LYS 39 2HE LYS 39 26.133 -0.692 2.172 271 HZ1 LYS 39 3HZ LYS 39 27.879 -1.139 3.434 272 HZ2 LYS 39 1HZ LYS 39 26.955 -0.841 4.820 273 HZ3 LYS 39 2HZ LYS 39 27.851 0.409 4.115 274 HA PRO 40 HA PRO 40 20.356 -0.701 1.978 275 HB2 PRO 40 1HB PRO 40 18.448 -1.381 0.171 276 HB3 PRO 40 2HB PRO 40 18.537 0.218 0.918 277 HG2 PRO 40 1HG PRO 40 19.493 -0.668 -1.776 278 HG3 PRO 40 2HG PRO 40 18.631 0.815 -1.327 279 HD2 PRO 40 1HD PRO 40 21.307 0.752 -1.735 280 HD3 PRO 40 2HD PRO 40 20.545 1.846 -0.562 281 H SER 41 H SER 41 22.345 -1.770 -0.430 282 HA SER 41 HA SER 41 21.384 -4.437 -0.782 283 HB2 SER 41 1HB SER 41 23.447 -4.843 -1.957 284 HB3 SER 41 2HB SER 41 22.883 -3.232 -2.400 285 HG SER 41 HG SER 41 24.490 -2.340 -1.286 286 H GLY 42 H GLY 42 22.150 -6.352 0.121 287 HA2 GLY 42 1HA GLY 42 24.126 -6.232 2.252 288 HA3 GLY 42 2HA GLY 42 22.491 -6.629 2.758 289 HA PRO 43 HA PRO 43 23.406 -10.854 1.988 290 HB2 PRO 43 1HB PRO 43 20.886 -11.807 1.657 291 HB3 PRO 43 2HB PRO 43 21.535 -11.336 3.232 292 HG2 PRO 43 1HG PRO 43 19.750 -9.801 1.383 293 HG3 PRO 43 2HG PRO 43 19.653 -9.973 3.145 294 HD2 PRO 43 1HD PRO 43 20.697 -7.779 1.950 295 HD3 PRO 43 2HD PRO 43 21.278 -8.382 3.516 296 H SER 44 H SER 44 24.477 -10.856 0.014 297 HA SER 44 HA SER 44 22.777 -11.434 -2.313 298 HB2 SER 44 1HB SER 44 25.287 -9.745 -2.401 299 HB3 SER 44 2HB SER 44 24.244 -10.145 -3.765 300 HG SER 44 HG SER 44 23.685 -8.482 -1.549 301 H SER 45 H SER 45 23.354 -13.192 -3.441 302 HA SER 45 HA SER 45 26.065 -14.188 -3.415 303 HB2 SER 45 1HB SER 45 24.785 -15.056 -1.308 304 HB3 SER 45 2HB SER 45 23.979 -16.123 -2.458 305 HG SER 45 HG SER 45 26.796 -15.903 -2.283 306 H GLY 46 H GLY 46 26.486 -15.672 -5.063 307 HA2 GLY 46 1HA GLY 46 24.246 -16.505 -6.754 308 HA3 GLY 46 2HA GLY 46 25.477 -15.485 -7.483 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -6.784 -37.555 1.896 2 HA2 GLY 1 1HA GLY 1 -7.238 -35.538 0.101 3 HA3 GLY 1 2HA GLY 1 -8.847 -36.049 0.590 4 H SER 2 H SER 2 -9.691 -34.906 2.186 5 HA SER 2 HA SER 2 -9.915 -33.682 4.092 6 HB2 SER 2 1HB SER 2 -8.308 -35.608 4.899 7 HB3 SER 2 2HB SER 2 -7.116 -34.310 4.952 8 HG SER 2 HG SER 2 -7.967 -33.951 6.844 9 H SER 3 H SER 3 -9.132 -32.376 1.777 10 HA SER 3 HA SER 3 -7.032 -30.499 2.544 11 HB2 SER 3 1HB SER 3 -7.213 -29.656 0.253 12 HB3 SER 3 2HB SER 3 -7.029 -31.410 0.247 13 HG SER 3 HG SER 3 -8.677 -30.827 -1.165 14 H GLY 4 H GLY 4 -7.494 -28.135 1.977 15 HA2 GLY 4 1HA GLY 4 -10.034 -27.025 1.910 16 HA3 GLY 4 2HA GLY 4 -9.644 -27.247 3.609 17 H SER 5 H SER 5 -9.765 -24.964 1.386 18 HA SER 5 HA SER 5 -8.095 -23.165 2.781 19 HB2 SER 5 1HB SER 5 -6.449 -22.722 0.950 20 HB3 SER 5 2HB SER 5 -6.253 -24.304 1.704 21 HG SER 5 HG SER 5 -7.525 -23.733 -0.767 22 H SER 6 H SER 6 -8.778 -21.139 2.412 23 HA SER 6 HA SER 6 -9.650 -20.129 -0.066 24 HB2 SER 6 1HB SER 6 -12.037 -19.989 0.250 25 HB3 SER 6 2HB SER 6 -11.564 -21.679 0.422 26 HG SER 6 HG SER 6 -11.402 -20.888 2.808 27 H GLY 7 H GLY 7 -8.856 -18.148 0.202 28 HA2 GLY 7 1HA GLY 7 -9.560 -16.707 2.686 29 HA3 GLY 7 2HA GLY 7 -7.991 -16.545 1.910 30 H SER 8 H SER 8 -11.037 -15.217 2.221 31 HA SER 8 HA SER 8 -11.041 -13.935 -0.397 32 HB2 SER 8 1HB SER 8 -12.998 -13.554 1.879 33 HB3 SER 8 2HB SER 8 -13.224 -13.091 0.193 34 HG SER 8 HG SER 8 -12.753 -15.556 -0.041 35 H GLY 9 H GLY 9 -9.976 -12.104 -0.717 36 HA2 GLY 9 1HA GLY 9 -10.238 -9.774 0.742 37 HA3 GLY 9 2HA GLY 9 -8.842 -10.598 1.421 38 H GLU 10 H GLU 10 -9.815 -8.378 -0.827 39 HA GLU 10 HA GLU 10 -7.894 -8.959 -2.887 40 HB2 GLU 10 1HB GLU 10 -9.680 -6.594 -2.334 41 HB3 GLU 10 2HB GLU 10 -8.534 -6.618 -3.668 42 HG2 GLU 10 1HG GLU 10 -9.730 -8.866 -4.260 43 HG3 GLU 10 2HG GLU 10 -11.034 -8.187 -3.286 44 H LYS 11 H LYS 11 -6.006 -7.809 -3.358 45 HA LYS 11 HA LYS 11 -4.862 -6.373 -1.055 46 HB2 LYS 11 1HB LYS 11 -3.431 -7.854 -3.271 47 HB3 LYS 11 2HB LYS 11 -2.662 -7.051 -1.908 48 HG2 LYS 11 1HG LYS 11 -3.537 -8.621 -0.370 49 HG3 LYS 11 2HG LYS 11 -4.628 -9.300 -1.580 50 HD2 LYS 11 1HD LYS 11 -1.705 -9.336 -2.138 51 HD3 LYS 11 2HD LYS 11 -2.343 -10.478 -0.952 52 HE2 LYS 11 1HE LYS 11 -2.568 -11.726 -2.851 53 HE3 LYS 11 2HE LYS 11 -4.129 -10.906 -2.848 54 HZ1 LYS 11 3HZ LYS 11 -2.056 -9.431 -4.187 55 HZ2 LYS 11 1HZ LYS 11 -3.625 -9.800 -4.701 56 HZ3 LYS 11 2HZ LYS 11 -2.380 -10.926 -4.908 57 HA PRO 12 HA PRO 12 -5.355 -3.160 -4.325 58 HB2 PRO 12 1HB PRO 12 -5.981 -1.176 -2.581 59 HB3 PRO 12 2HB PRO 12 -7.183 -2.297 -3.233 60 HG2 PRO 12 1HG PRO 12 -5.787 -2.345 -0.585 61 HG3 PRO 12 2HG PRO 12 -7.495 -2.648 -0.955 62 HD2 PRO 12 1HD PRO 12 -5.721 -4.648 -0.524 63 HD3 PRO 12 2HD PRO 12 -7.093 -4.812 -1.639 64 H TYR 13 H TYR 13 -3.159 -3.913 -1.991 65 HA TYR 13 HA TYR 13 -1.270 -1.960 -2.965 66 HB2 TYR 13 1HB TYR 13 -1.813 -2.060 0.004 67 HB3 TYR 13 2HB TYR 13 -0.709 -0.983 -0.844 68 HD1 TYR 13 HD2 TYR 13 -1.691 0.742 -2.425 69 HD2 TYR 13 HD1 TYR 13 -4.063 -1.464 0.334 70 HE1 TYR 13 HE2 TYR 13 -3.477 2.422 -2.627 71 HE2 TYR 13 HE1 TYR 13 -5.856 0.209 0.139 72 HH TYR 13 HH TYR 13 -6.504 1.985 -1.872 73 H LYS 14 H LYS 14 0.269 -3.348 -3.562 74 HA LYS 14 HA LYS 14 1.440 -5.072 -1.512 75 HB2 LYS 14 1HB LYS 14 0.024 -6.627 -2.616 76 HB3 LYS 14 2HB LYS 14 0.441 -5.994 -4.202 77 HG2 LYS 14 1HG LYS 14 2.574 -6.980 -4.152 78 HG3 LYS 14 2HG LYS 14 2.470 -7.305 -2.421 79 HD2 LYS 14 1HD LYS 14 0.599 -8.875 -2.888 80 HD3 LYS 14 2HD LYS 14 0.864 -8.616 -4.614 81 HE2 LYS 14 1HE LYS 14 3.100 -9.502 -2.826 82 HE3 LYS 14 2HE LYS 14 1.947 -10.667 -3.475 83 HZ1 LYS 14 3HZ LYS 14 4.063 -10.258 -4.791 84 HZ2 LYS 14 1HZ LYS 14 3.383 -8.773 -5.231 85 HZ3 LYS 14 2HZ LYS 14 2.607 -10.216 -5.650 86 H CYS 15 H CYS 15 3.586 -4.909 -1.484 87 HA CYS 15 HA CYS 15 4.960 -3.205 -3.280 88 HB2 CYS 15 1HB CYS 15 5.670 -3.500 -0.951 89 HB3 CYS 15 2HB CYS 15 6.060 -5.186 -1.276 90 H ASN 16 H ASN 16 6.888 -3.831 -4.542 91 HA ASN 16 HA ASN 16 6.492 -6.446 -5.843 92 HB2 ASN 16 1HB ASN 16 7.736 -4.051 -7.182 93 HB3 ASN 16 2HB ASN 16 7.075 -5.502 -7.930 94 HD21 ASN 16 1HD2 ASN 16 6.426 -2.797 -8.558 95 HD22 ASN 16 2HD2 ASN 16 4.741 -2.587 -8.237 96 H GLU 17 H GLU 17 8.822 -4.098 -4.660 97 HA GLU 17 HA GLU 17 11.203 -5.202 -5.500 98 HB2 GLU 17 1HB GLU 17 10.430 -3.724 -3.005 99 HB3 GLU 17 2HB GLU 17 12.068 -4.330 -3.205 100 HG2 GLU 17 1HG GLU 17 12.153 -2.119 -3.937 101 HG3 GLU 17 2HG GLU 17 12.098 -3.079 -5.414 102 H CYS 18 H CYS 18 9.204 -6.137 -2.738 103 HA CYS 18 HA CYS 18 10.874 -8.548 -2.444 104 HB2 CYS 18 1HB CYS 18 10.139 -8.582 -0.060 105 HB3 CYS 18 2HB CYS 18 11.117 -7.177 -0.474 106 H GLY 19 H GLY 19 7.595 -7.224 -2.244 107 HA2 GLY 19 1HA GLY 19 5.822 -8.462 -3.379 108 HA3 GLY 19 2HA GLY 19 6.581 -9.940 -2.807 109 H LYS 20 H LYS 20 6.471 -7.321 -0.594 110 HA LYS 20 HA LYS 20 4.905 -8.798 1.260 111 HB2 LYS 20 1HB LYS 20 6.714 -6.900 1.604 112 HB3 LYS 20 2HB LYS 20 5.302 -5.852 1.558 113 HG2 LYS 20 1HG LYS 20 4.308 -7.133 3.399 114 HG3 LYS 20 2HG LYS 20 5.754 -8.143 3.460 115 HD2 LYS 20 1HD LYS 20 7.113 -6.245 4.056 116 HD3 LYS 20 2HD LYS 20 5.745 -5.150 3.840 117 HE2 LYS 20 1HE LYS 20 5.914 -5.480 6.162 118 HE3 LYS 20 2HE LYS 20 4.576 -6.505 5.646 119 HZ1 LYS 20 3HZ LYS 20 5.681 -8.360 6.192 120 HZ2 LYS 20 1HZ LYS 20 6.613 -7.338 7.166 121 HZ3 LYS 20 2HZ LYS 20 7.170 -7.785 5.633 122 H VAL 21 H VAL 21 2.853 -8.251 2.141 123 HA VAL 21 HA VAL 21 1.140 -6.723 0.290 124 HB VAL 21 HB VAL 21 0.344 -9.099 1.979 125 HG11 VAL 21 1HG1 VAL 21 -1.763 -8.482 1.659 126 HG12 VAL 21 2HG1 VAL 21 -1.205 -7.014 0.854 127 HG13 VAL 21 3HG1 VAL 21 -1.514 -8.475 -0.086 128 HG21 VAL 21 3HG2 VAL 21 -0.046 -10.090 -0.362 129 HG22 VAL 21 1HG2 VAL 21 1.025 -8.808 -0.926 130 HG23 VAL 21 2HG2 VAL 21 1.610 -9.998 0.237 131 H PHE 22 H PHE 22 -0.339 -5.304 1.135 132 HA PHE 22 HA PHE 22 -0.435 -5.022 4.057 133 HB2 PHE 22 1HB PHE 22 -0.249 -2.639 2.219 134 HB3 PHE 22 2HB PHE 22 -0.082 -2.675 3.972 135 HD1 PHE 22 HD1 PHE 22 1.545 -3.597 0.793 136 HD2 PHE 22 HD2 PHE 22 1.999 -3.110 4.997 137 HE1 PHE 22 HE1 PHE 22 3.985 -3.805 0.550 138 HE2 PHE 22 HE2 PHE 22 4.440 -3.317 4.761 139 HZ PHE 22 HZ PHE 22 5.436 -3.664 2.535 140 H THR 23 H THR 23 -2.199 -3.335 4.641 141 HA THR 23 HA THR 23 -4.582 -4.005 3.050 142 HB THR 23 HB THR 23 -4.435 -3.122 5.939 143 HG1 THR 23 HG1 THR 23 -4.809 -5.678 4.738 144 HG21 THR 23 3HG2 THR 23 -6.544 -2.459 5.161 145 HG22 THR 23 1HG2 THR 23 -6.834 -4.042 5.880 146 HG23 THR 23 2HG2 THR 23 -6.709 -3.879 4.129 147 H GLN 24 H GLN 24 -3.151 -1.347 4.939 148 HA GLN 24 HA GLN 24 -4.882 0.552 3.540 149 HB2 GLN 24 1HB GLN 24 -3.175 0.731 6.008 150 HB3 GLN 24 2HB GLN 24 -3.775 2.180 5.211 151 HG2 GLN 24 1HG GLN 24 -5.646 -0.014 6.000 152 HG3 GLN 24 2HG GLN 24 -5.106 1.185 7.175 153 HE21 GLN 24 1HE2 GLN 24 -7.100 0.550 4.450 154 HE22 GLN 24 2HE2 GLN 24 -7.886 2.087 4.389 155 H ASN 25 H ASN 25 -4.081 2.295 2.364 156 HA ASN 25 HA ASN 25 -1.779 1.819 0.830 157 HB2 ASN 25 1HB ASN 25 -3.228 3.183 -0.307 158 HB3 ASN 25 2HB ASN 25 -3.699 4.070 1.140 159 HD21 ASN 25 1HD2 ASN 25 -1.570 3.909 -1.542 160 HD22 ASN 25 2HD2 ASN 25 -0.740 5.397 -1.256 161 H SER 26 H SER 26 -2.330 3.823 3.675 162 HA SER 26 HA SER 26 0.112 5.209 3.663 163 HB2 SER 26 1HB SER 26 -1.608 4.407 6.023 164 HB3 SER 26 2HB SER 26 -0.331 5.623 6.057 165 HG SER 26 HG SER 26 -2.864 5.721 4.873 166 H HIS 27 H HIS 27 -0.461 1.941 4.027 167 HA HIS 27 HA HIS 27 1.873 1.490 5.736 168 HB2 HIS 27 1HB HIS 27 -0.210 -0.429 4.674 169 HB3 HIS 27 2HB HIS 27 1.140 -0.888 5.708 170 HD1 HIS 27 HD1 HIS 27 -0.640 -1.709 7.463 171 HD2 HIS 27 HD2 HIS 27 -0.667 2.376 6.707 172 HE1 HIS 27 HE1 HIS 27 -1.979 -0.689 9.331 173 H LEU 28 H LEU 28 0.747 1.117 2.454 174 HA LEU 28 HA LEU 28 2.924 -0.542 1.603 175 HB2 LEU 28 1HB LEU 28 0.843 -0.659 0.420 176 HB3 LEU 28 2HB LEU 28 0.883 1.071 0.086 177 HG LEU 28 HG LEU 28 2.810 0.730 -1.397 178 HD11 LEU 28 1HD1 LEU 28 3.984 -1.107 -0.683 179 HD12 LEU 28 2HD1 LEU 28 3.113 -1.782 -2.059 180 HD13 LEU 28 3HD1 LEU 28 2.532 -2.073 -0.420 181 HD21 LEU 28 3HD2 LEU 28 0.243 0.354 -1.992 182 HD22 LEU 28 1HD2 LEU 28 0.843 -1.261 -2.372 183 HD23 LEU 28 2HD2 LEU 28 1.530 0.148 -3.182 184 H THR 29 H THR 29 2.037 2.811 0.758 185 HA THR 29 HA THR 29 4.410 3.493 -0.511 186 HB THR 29 HB THR 29 2.438 4.912 -0.653 187 HG1 THR 29 HG1 THR 29 4.714 6.172 0.512 188 HG21 THR 29 3HG2 THR 29 2.371 4.640 2.130 189 HG22 THR 29 1HG2 THR 29 1.287 5.605 1.129 190 HG23 THR 29 2HG2 THR 29 2.724 6.343 1.837 191 H ASN 30 H ASN 30 3.663 3.302 2.886 192 HA ASN 30 HA ASN 30 5.938 4.792 3.777 193 HB2 ASN 30 1HB ASN 30 4.009 4.647 5.220 194 HB3 ASN 30 2HB ASN 30 4.084 2.887 5.218 195 HD21 ASN 30 1HD2 ASN 30 4.144 4.729 7.457 196 HD22 ASN 30 2HD2 ASN 30 5.620 4.421 8.300 197 H HIS 31 H HIS 31 5.199 1.375 3.304 198 HA HIS 31 HA HIS 31 7.468 0.273 4.505 199 HB2 HIS 31 1HB HIS 31 5.799 -1.268 3.955 200 HB3 HIS 31 2HB HIS 31 5.636 -0.652 2.313 201 HD1 HIS 31 HD1 HIS 31 8.002 -2.710 4.430 202 HD2 HIS 31 HD2 HIS 31 7.137 -1.962 0.436 203 HE1 HIS 31 HE1 HIS 31 9.374 -4.364 3.124 204 H TRP 32 H TRP 32 6.930 1.121 1.087 205 HA TRP 32 HA TRP 32 9.263 0.388 -0.066 206 HB2 TRP 32 1HB TRP 32 7.521 2.788 -0.472 207 HB3 TRP 32 2HB TRP 32 9.031 2.660 -1.370 208 HD1 TRP 32 HD1 TRP 32 5.942 0.380 -0.731 209 HE1 TRP 32 HE1 TRP 32 5.402 -0.842 -2.931 210 HE3 TRP 32 HE3 TRP 32 9.736 2.211 -3.628 211 HZ2 TRP 32 HZ2 TRP 32 6.447 -1.008 -5.548 212 HZ3 TRP 32 HZ3 TRP 32 9.896 1.470 -5.968 213 HH2 TRP 32 HH2 TRP 32 8.285 -0.107 -6.907 214 H ARG 33 H ARG 33 8.862 2.819 2.352 215 HA ARG 33 HA ARG 33 11.041 4.463 1.989 216 HB2 ARG 33 1HB ARG 33 9.835 3.398 4.543 217 HB3 ARG 33 2HB ARG 33 11.066 4.653 4.508 218 HG2 ARG 33 1HG ARG 33 9.594 6.113 3.266 219 HG3 ARG 33 2HG ARG 33 8.372 4.843 3.177 220 HD2 ARG 33 1HD ARG 33 7.719 6.312 4.924 221 HD3 ARG 33 2HD ARG 33 8.333 4.846 5.688 222 HE ARG 33 HE ARG 33 9.948 6.115 6.673 223 HH11 ARG 33 1HH1 ARG 33 8.759 7.816 3.877 224 HH12 ARG 33 2HH1 ARG 33 9.701 9.238 4.181 225 HH21 ARG 33 1HH2 ARG 33 11.192 7.982 7.083 226 HH22 ARG 33 2HH2 ARG 33 11.085 9.331 6.004 227 H ILE 34 H ILE 34 10.942 1.293 3.577 228 HA ILE 34 HA ILE 34 13.678 1.261 4.316 229 HB ILE 34 HB ILE 34 13.390 -1.088 4.776 230 HG12 ILE 34 1HG1 ILE 34 10.600 -1.106 3.715 231 HG13 ILE 34 2HG1 ILE 34 11.925 -1.290 2.571 232 HG21 ILE 34 1HG2 ILE 34 11.361 0.872 5.616 233 HG22 ILE 34 2HG2 ILE 34 10.970 -0.816 5.937 234 HG23 ILE 34 3HG2 ILE 34 12.455 -0.117 6.583 235 HD11 ILE 34 3HD1 ILE 34 12.752 -3.177 4.011 236 HD12 ILE 34 1HD1 ILE 34 11.227 -3.065 4.888 237 HD13 ILE 34 2HD1 ILE 34 11.229 -3.461 3.169 238 H HIS 35 H HIS 35 12.149 0.934 1.320 239 HA HIS 35 HA HIS 35 14.295 -0.676 0.162 240 HB2 HIS 35 1HB HIS 35 11.639 0.295 -0.870 241 HB3 HIS 35 2HB HIS 35 12.858 -0.371 -1.954 242 HD1 HIS 35 HD1 HIS 35 13.814 -2.675 -0.040 243 HD2 HIS 35 HD2 HIS 35 9.865 -1.800 -0.987 244 HE1 HIS 35 HE1 HIS 35 12.540 -4.807 0.353 245 H THR 36 H THR 36 13.155 2.596 0.338 246 HA THR 36 HA THR 36 15.553 3.505 -1.031 247 HB THR 36 HB THR 36 13.950 3.341 -2.868 248 HG1 THR 36 HG1 THR 36 15.153 5.055 -3.323 249 HG21 THR 36 3HG2 THR 36 11.788 3.815 -2.622 250 HG22 THR 36 1HG2 THR 36 12.168 5.471 -2.153 251 HG23 THR 36 2HG2 THR 36 12.096 4.203 -0.929 252 H GLY 37 H GLY 37 16.422 4.955 0.292 253 HA2 GLY 37 1HA GLY 37 15.725 7.375 1.017 254 HA3 GLY 37 2HA GLY 37 14.680 6.467 2.100 255 H GLU 38 H GLU 38 18.054 5.975 1.074 256 HA GLU 38 HA GLU 38 18.848 5.316 3.747 257 HB2 GLU 38 1HB GLU 38 20.191 5.487 1.093 258 HB3 GLU 38 2HB GLU 38 21.202 5.556 2.530 259 HG2 GLU 38 1HG GLU 38 19.376 3.339 1.659 260 HG3 GLU 38 2HG GLU 38 21.128 3.298 1.849 261 H LYS 39 H LYS 39 18.552 7.064 5.082 262 HA LYS 39 HA LYS 39 18.939 9.705 4.729 263 HB2 LYS 39 1HB LYS 39 18.282 9.304 6.873 264 HB3 LYS 39 2HB LYS 39 19.323 7.896 7.043 265 HG2 LYS 39 1HG LYS 39 21.257 9.349 7.340 266 HG3 LYS 39 2HG LYS 39 20.225 10.768 7.148 267 HD2 LYS 39 1HD LYS 39 20.264 10.640 9.427 268 HD3 LYS 39 2HD LYS 39 18.877 9.596 9.106 269 HE2 LYS 39 1HE LYS 39 20.638 7.699 9.024 270 HE3 LYS 39 2HE LYS 39 21.676 8.847 9.866 271 HZ1 LYS 39 3HZ LYS 39 20.490 8.669 11.754 272 HZ2 LYS 39 1HZ LYS 39 20.029 7.175 11.108 273 HZ3 LYS 39 2HZ LYS 39 19.006 8.513 10.958 274 HA PRO 40 HA PRO 40 23.687 9.457 5.571 275 HB2 PRO 40 1HB PRO 40 24.817 6.990 5.650 276 HB3 PRO 40 2HB PRO 40 24.159 7.792 7.082 277 HG2 PRO 40 1HG PRO 40 22.918 5.689 5.351 278 HG3 PRO 40 2HG PRO 40 22.926 5.821 7.119 279 HD2 PRO 40 1HD PRO 40 20.797 6.551 5.614 280 HD3 PRO 40 2HD PRO 40 21.212 7.362 7.138 281 H SER 41 H SER 41 24.264 10.231 3.624 282 HA SER 41 HA SER 41 24.741 8.285 1.470 283 HB2 SER 41 1HB SER 41 23.485 11.025 1.207 284 HB3 SER 41 2HB SER 41 24.046 10.061 -0.160 285 HG SER 41 HG SER 41 21.716 9.919 1.099 286 H GLY 42 H GLY 42 26.703 9.050 3.246 287 HA2 GLY 42 1HA GLY 42 28.861 9.681 1.732 288 HA3 GLY 42 2HA GLY 42 28.217 11.258 2.163 289 HA PRO 43 HA PRO 43 31.169 9.816 5.475 290 HB2 PRO 43 1HB PRO 43 32.693 12.063 5.458 291 HB3 PRO 43 2HB PRO 43 33.001 10.685 4.394 292 HG2 PRO 43 1HG PRO 43 31.593 13.260 3.800 293 HG3 PRO 43 2HG PRO 43 32.771 12.375 2.813 294 HD2 PRO 43 1HD PRO 43 30.105 12.254 2.357 295 HD3 PRO 43 2HD PRO 43 31.191 10.887 2.036 296 H SER 44 H SER 44 28.739 11.999 5.061 297 HA SER 44 HA SER 44 28.789 13.992 6.831 298 HB2 SER 44 1HB SER 44 26.775 12.846 5.541 299 HB3 SER 44 2HB SER 44 26.456 12.149 7.129 300 HG SER 44 HG SER 44 26.340 14.814 6.291 301 H SER 45 H SER 45 29.406 14.255 8.862 302 HA SER 45 HA SER 45 29.947 12.019 10.565 303 HB2 SER 45 1HB SER 45 31.191 14.290 10.445 304 HB3 SER 45 2HB SER 45 29.903 14.881 11.495 305 HG SER 45 HG SER 45 32.060 13.414 12.132 306 H GLY 46 H GLY 46 28.725 11.151 12.128 307 HA2 GLY 46 1HA GLY 46 27.143 11.701 13.995 308 HA3 GLY 46 2HA GLY 46 26.182 12.514 12.768 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -2.394 -34.852 -7.439 2 HA2 GLY 1 1HA GLY 1 -2.670 -33.192 -5.159 3 HA3 GLY 1 2HA GLY 1 -1.219 -32.750 -6.046 4 H SER 2 H SER 2 -3.143 -30.881 -5.766 5 HA SER 2 HA SER 2 -3.992 -30.498 -8.522 6 HB2 SER 2 1HB SER 2 -5.988 -31.490 -7.719 7 HB3 SER 2 2HB SER 2 -5.899 -30.621 -6.188 8 HG SER 2 HG SER 2 -7.432 -29.678 -7.576 9 H SER 3 H SER 3 -4.543 -28.295 -9.012 10 HA SER 3 HA SER 3 -3.247 -26.411 -7.170 11 HB2 SER 3 1HB SER 3 -3.703 -26.386 -10.147 12 HB3 SER 3 2HB SER 3 -3.290 -24.911 -9.272 13 HG SER 3 HG SER 3 -1.726 -27.182 -8.830 14 H GLY 4 H GLY 4 -4.453 -25.034 -6.051 15 HA2 GLY 4 1HA GLY 4 -7.196 -24.496 -7.011 16 HA3 GLY 4 2HA GLY 4 -6.751 -24.579 -5.313 17 H SER 5 H SER 5 -8.063 -22.420 -5.813 18 HA SER 5 HA SER 5 -6.037 -20.304 -6.136 19 HB2 SER 5 1HB SER 5 -7.841 -20.529 -7.975 20 HB3 SER 5 2HB SER 5 -8.951 -19.885 -6.765 21 HG SER 5 HG SER 5 -8.070 -17.977 -6.969 22 H SER 6 H SER 6 -6.309 -18.418 -4.849 23 HA SER 6 HA SER 6 -6.996 -18.902 -2.187 24 HB2 SER 6 1HB SER 6 -5.533 -17.015 -3.310 25 HB3 SER 6 2HB SER 6 -7.043 -16.106 -3.254 26 HG SER 6 HG SER 6 -7.101 -16.482 -1.004 27 H GLY 7 H GLY 7 -8.785 -17.180 -4.728 28 HA2 GLY 7 1HA GLY 7 -11.139 -17.236 -4.948 29 HA3 GLY 7 2HA GLY 7 -11.260 -17.724 -3.264 30 H SER 8 H SER 8 -10.788 -16.080 -1.624 31 HA SER 8 HA SER 8 -11.221 -13.335 -2.583 32 HB2 SER 8 1HB SER 8 -13.331 -14.532 -1.682 33 HB3 SER 8 2HB SER 8 -12.577 -14.358 -0.097 34 HG SER 8 HG SER 8 -13.532 -12.381 -1.846 35 H GLY 9 H GLY 9 -8.739 -14.327 -1.925 36 HA2 GLY 9 1HA GLY 9 -8.207 -12.908 0.609 37 HA3 GLY 9 2HA GLY 9 -7.428 -14.440 0.246 38 H GLU 10 H GLU 10 -7.737 -11.083 -0.810 39 HA GLU 10 HA GLU 10 -4.941 -10.930 -1.387 40 HB2 GLU 10 1HB GLU 10 -5.112 -10.428 -3.767 41 HB3 GLU 10 2HB GLU 10 -5.706 -12.049 -3.434 42 HG2 GLU 10 1HG GLU 10 -8.024 -11.086 -3.427 43 HG3 GLU 10 2HG GLU 10 -7.320 -9.586 -4.029 44 H LYS 11 H LYS 11 -4.234 -8.786 -1.811 45 HA LYS 11 HA LYS 11 -6.285 -6.722 -1.341 46 HB2 LYS 11 1HB LYS 11 -3.526 -6.986 -0.155 47 HB3 LYS 11 2HB LYS 11 -4.398 -5.458 -0.167 48 HG2 LYS 11 1HG LYS 11 -5.904 -6.143 1.397 49 HG3 LYS 11 2HG LYS 11 -5.790 -7.840 0.927 50 HD2 LYS 11 1HD LYS 11 -3.762 -8.132 2.091 51 HD3 LYS 11 2HD LYS 11 -3.516 -6.393 2.260 52 HE2 LYS 11 1HE LYS 11 -4.220 -7.208 4.378 53 HE3 LYS 11 2HE LYS 11 -5.585 -6.337 3.680 54 HZ1 LYS 11 3HZ LYS 11 -5.493 -9.173 3.092 55 HZ2 LYS 11 1HZ LYS 11 -6.804 -8.198 3.532 56 HZ3 LYS 11 2HZ LYS 11 -5.753 -8.789 4.718 57 HA PRO 12 HA PRO 12 -4.804 -4.806 -5.017 58 HB2 PRO 12 1HB PRO 12 -5.631 -2.264 -4.544 59 HB3 PRO 12 2HB PRO 12 -6.741 -3.571 -4.975 60 HG2 PRO 12 1HG PRO 12 -6.111 -2.432 -2.279 61 HG3 PRO 12 2HG PRO 12 -7.683 -2.886 -2.962 62 HD2 PRO 12 1HD PRO 12 -6.335 -4.472 -1.230 63 HD3 PRO 12 2HD PRO 12 -7.373 -5.125 -2.513 64 H TYR 13 H TYR 13 -3.427 -4.402 -2.045 65 HA TYR 13 HA TYR 13 -1.414 -2.522 -3.095 66 HB2 TYR 13 1HB TYR 13 -2.123 -2.941 -0.186 67 HB3 TYR 13 2HB TYR 13 -1.017 -1.739 -0.842 68 HD1 TYR 13 HD2 TYR 13 -1.892 0.200 -2.091 69 HD2 TYR 13 HD1 TYR 13 -4.495 -2.593 -0.214 70 HE1 TYR 13 HE2 TYR 13 -3.742 1.811 -2.273 71 HE2 TYR 13 HE1 TYR 13 -6.353 -0.991 -0.392 72 HH TYR 13 HH TYR 13 -6.895 1.158 -0.835 73 H LYS 14 H LYS 14 0.326 -3.639 -3.672 74 HA LYS 14 HA LYS 14 1.517 -5.481 -1.747 75 HB2 LYS 14 1HB LYS 14 0.072 -6.762 -3.417 76 HB3 LYS 14 2HB LYS 14 1.241 -6.283 -4.640 77 HG2 LYS 14 1HG LYS 14 2.945 -7.315 -2.906 78 HG3 LYS 14 2HG LYS 14 1.511 -8.215 -2.405 79 HD2 LYS 14 1HD LYS 14 2.314 -9.623 -4.019 80 HD3 LYS 14 2HD LYS 14 1.272 -8.597 -5.007 81 HE2 LYS 14 1HE LYS 14 3.243 -7.199 -5.551 82 HE3 LYS 14 2HE LYS 14 4.255 -8.325 -4.648 83 HZ1 LYS 14 3HZ LYS 14 4.437 -9.505 -6.497 84 HZ2 LYS 14 1HZ LYS 14 3.332 -8.516 -7.312 85 HZ3 LYS 14 2HZ LYS 14 2.782 -9.848 -6.428 86 H CYS 15 H CYS 15 3.599 -5.020 -1.516 87 HA CYS 15 HA CYS 15 4.918 -3.052 -3.012 88 HB2 CYS 15 1HB CYS 15 5.501 -3.740 -0.680 89 HB3 CYS 15 2HB CYS 15 6.202 -5.216 -1.335 90 H ASN 16 H ASN 16 5.601 -3.165 -5.038 91 HA ASN 16 HA ASN 16 6.101 -5.732 -6.289 92 HB2 ASN 16 1HB ASN 16 4.844 -4.008 -7.509 93 HB3 ASN 16 2HB ASN 16 6.235 -2.931 -7.428 94 HD21 ASN 16 1HD2 ASN 16 7.208 -2.800 -9.305 95 HD22 ASN 16 2HD2 ASN 16 7.469 -4.097 -10.415 96 H GLU 17 H GLU 17 7.922 -4.944 -4.210 97 HA GLU 17 HA GLU 17 10.404 -4.820 -5.787 98 HB2 GLU 17 1HB GLU 17 9.581 -3.215 -3.423 99 HB3 GLU 17 2HB GLU 17 11.257 -3.740 -3.495 100 HG2 GLU 17 1HG GLU 17 9.877 -2.241 -5.705 101 HG3 GLU 17 2HG GLU 17 10.825 -1.474 -4.432 102 H CYS 18 H CYS 18 8.728 -6.009 -2.947 103 HA CYS 18 HA CYS 18 10.784 -8.099 -2.687 104 HB2 CYS 18 1HB CYS 18 10.458 -8.075 -0.250 105 HB3 CYS 18 2HB CYS 18 11.038 -6.520 -0.836 106 H GLY 19 H GLY 19 7.411 -7.167 -2.251 107 HA2 GLY 19 1HA GLY 19 5.740 -8.742 -3.115 108 HA3 GLY 19 2HA GLY 19 6.702 -10.031 -2.407 109 H LYS 20 H LYS 20 6.139 -7.020 -0.738 110 HA LYS 20 HA LYS 20 4.809 -8.474 1.398 111 HB2 LYS 20 1HB LYS 20 6.666 -6.615 1.584 112 HB3 LYS 20 2HB LYS 20 5.291 -5.523 1.478 113 HG2 LYS 20 1HG LYS 20 4.482 -6.116 3.523 114 HG3 LYS 20 2HG LYS 20 5.149 -7.748 3.438 115 HD2 LYS 20 1HD LYS 20 7.001 -5.410 3.597 116 HD3 LYS 20 2HD LYS 20 6.187 -5.973 5.059 117 HE2 LYS 20 1HE LYS 20 7.077 -8.241 4.629 118 HE3 LYS 20 2HE LYS 20 7.955 -7.606 3.239 119 HZ1 LYS 20 3HZ LYS 20 9.401 -6.443 4.570 120 HZ2 LYS 20 1HZ LYS 20 9.135 -7.821 5.515 121 HZ3 LYS 20 2HZ LYS 20 8.337 -6.377 5.883 122 H VAL 21 H VAL 21 2.826 -7.715 2.365 123 HA VAL 21 HA VAL 21 1.109 -6.160 0.552 124 HB VAL 21 HB VAL 21 0.248 -8.676 1.984 125 HG11 VAL 21 1HG1 VAL 21 -1.194 -6.740 0.191 126 HG12 VAL 21 2HG1 VAL 21 -1.782 -8.374 0.500 127 HG13 VAL 21 3HG1 VAL 21 -1.613 -7.230 1.832 128 HG21 VAL 21 3HG2 VAL 21 0.828 -9.868 0.195 129 HG22 VAL 21 1HG2 VAL 21 0.040 -8.727 -0.894 130 HG23 VAL 21 2HG2 VAL 21 1.705 -8.451 -0.381 131 H PHE 22 H PHE 22 -0.413 -4.856 1.522 132 HA PHE 22 HA PHE 22 -0.546 -4.876 4.454 133 HB2 PHE 22 1HB PHE 22 -0.200 -2.356 2.819 134 HB3 PHE 22 2HB PHE 22 -0.269 -2.477 4.574 135 HD1 PHE 22 HD1 PHE 22 1.731 -3.539 1.631 136 HD2 PHE 22 HD2 PHE 22 1.679 -2.735 5.810 137 HE1 PHE 22 HE1 PHE 22 4.179 -3.780 1.704 138 HE2 PHE 22 HE2 PHE 22 4.127 -2.973 5.890 139 HZ PHE 22 HZ PHE 22 5.380 -3.495 3.835 140 H THR 23 H THR 23 -2.332 -3.358 5.228 141 HA THR 23 HA THR 23 -4.742 -4.065 3.821 142 HB THR 23 HB THR 23 -5.942 -3.144 5.687 143 HG1 THR 23 HG1 THR 23 -3.432 -2.045 6.483 144 HG21 THR 23 3HG2 THR 23 -4.955 -4.383 7.555 145 HG22 THR 23 1HG2 THR 23 -3.435 -4.513 6.671 146 HG23 THR 23 2HG2 THR 23 -4.880 -5.319 6.063 147 H GLN 24 H GLN 24 -3.335 -0.969 4.906 148 HA GLN 24 HA GLN 24 -4.934 0.387 2.845 149 HB2 GLN 24 1HB GLN 24 -3.568 1.570 5.269 150 HB3 GLN 24 2HB GLN 24 -4.605 2.432 4.139 151 HG2 GLN 24 1HG GLN 24 -6.508 1.109 4.818 152 HG3 GLN 24 2HG GLN 24 -5.487 0.142 5.882 153 HE21 GLN 24 1HE2 GLN 24 -7.661 1.313 6.934 154 HE22 GLN 24 2HE2 GLN 24 -7.214 2.636 7.952 155 H ASN 25 H ASN 25 -3.864 2.364 1.895 156 HA ASN 25 HA ASN 25 -1.429 1.582 0.652 157 HB2 ASN 25 1HB ASN 25 -3.136 2.946 -0.495 158 HB3 ASN 25 2HB ASN 25 -2.817 4.271 0.620 159 HD21 ASN 25 1HD2 ASN 25 -1.152 5.612 0.240 160 HD22 ASN 25 2HD2 ASN 25 -0.061 5.463 -1.092 161 H SER 26 H SER 26 -2.229 4.239 2.887 162 HA SER 26 HA SER 26 0.179 5.449 3.199 163 HB2 SER 26 1HB SER 26 -2.079 4.918 5.070 164 HB3 SER 26 2HB SER 26 -0.578 5.537 5.759 165 HG SER 26 HG SER 26 -1.951 6.727 3.579 166 H HIS 27 H HIS 27 -0.642 2.235 4.137 167 HA HIS 27 HA HIS 27 1.613 1.921 5.924 168 HB2 HIS 27 1HB HIS 27 -0.237 -0.191 4.798 169 HB3 HIS 27 2HB HIS 27 0.866 -0.381 6.158 170 HD1 HIS 27 HD1 HIS 27 -1.295 -1.065 7.540 171 HD2 HIS 27 HD2 HIS 27 -1.166 2.882 6.248 172 HE1 HIS 27 HE1 HIS 27 -3.034 0.144 8.897 173 H LEU 28 H LEU 28 0.720 0.986 2.639 174 HA LEU 28 HA LEU 28 2.977 -0.639 2.132 175 HB2 LEU 28 1HB LEU 28 1.119 -0.901 0.711 176 HB3 LEU 28 2HB LEU 28 1.046 0.825 0.359 177 HG LEU 28 HG LEU 28 3.092 0.642 -0.970 178 HD11 LEU 28 1HD1 LEU 28 3.822 -1.733 -1.549 179 HD12 LEU 28 2HD1 LEU 28 2.963 -2.224 -0.090 180 HD13 LEU 28 3HD1 LEU 28 4.312 -1.093 0.020 181 HD21 LEU 28 3HD2 LEU 28 2.078 -1.101 -2.667 182 HD22 LEU 28 1HD2 LEU 28 1.298 0.454 -2.375 183 HD23 LEU 28 2HD2 LEU 28 0.688 -1.001 -1.585 184 H THR 29 H THR 29 2.263 2.673 1.006 185 HA THR 29 HA THR 29 4.686 3.256 -0.164 186 HB THR 29 HB THR 29 2.894 4.811 -0.416 187 HG1 THR 29 HG1 THR 29 3.999 6.727 0.039 188 HG21 THR 29 3HG2 THR 29 1.679 4.527 1.618 189 HG22 THR 29 1HG2 THR 29 2.153 6.223 1.530 190 HG23 THR 29 2HG2 THR 29 3.034 5.115 2.581 191 H ASN 30 H ASN 30 3.840 3.257 3.239 192 HA ASN 30 HA ASN 30 6.120 4.624 4.194 193 HB2 ASN 30 1HB ASN 30 4.352 4.473 5.726 194 HB3 ASN 30 2HB ASN 30 4.136 2.747 5.449 195 HD21 ASN 30 1HD2 ASN 30 4.402 1.948 7.439 196 HD22 ASN 30 2HD2 ASN 30 5.828 2.139 8.396 197 H HIS 31 H HIS 31 5.464 1.225 3.534 198 HA HIS 31 HA HIS 31 7.804 0.166 4.695 199 HB2 HIS 31 1HB HIS 31 6.124 -1.404 4.234 200 HB3 HIS 31 2HB HIS 31 5.900 -0.819 2.588 201 HD1 HIS 31 HD1 HIS 31 8.291 -2.866 4.669 202 HD2 HIS 31 HD2 HIS 31 7.442 -2.066 0.681 203 HE1 HIS 31 HE1 HIS 31 9.671 -4.501 3.347 204 H TRP 32 H TRP 32 7.071 0.815 1.263 205 HA TRP 32 HA TRP 32 9.335 0.183 -0.002 206 HB2 TRP 32 1HB TRP 32 7.497 2.507 -0.306 207 HB3 TRP 32 2HB TRP 32 9.003 2.534 -1.219 208 HD1 TRP 32 HD1 TRP 32 6.011 0.108 -0.702 209 HE1 TRP 32 HE1 TRP 32 5.577 -1.093 -2.937 210 HE3 TRP 32 HE3 TRP 32 9.841 2.091 -3.447 211 HZ2 TRP 32 HZ2 TRP 32 6.709 -1.188 -5.521 212 HZ3 TRP 32 HZ3 TRP 32 10.096 1.393 -5.792 213 HH2 TRP 32 HH2 TRP 32 8.562 -0.213 -6.806 214 H ARG 33 H ARG 33 9.003 2.799 2.291 215 HA ARG 33 HA ARG 33 11.206 4.349 1.825 216 HB2 ARG 33 1HB ARG 33 10.076 3.419 4.467 217 HB3 ARG 33 2HB ARG 33 11.304 4.670 4.323 218 HG2 ARG 33 1HG ARG 33 9.801 6.087 3.103 219 HG3 ARG 33 2HG ARG 33 8.587 4.807 3.036 220 HD2 ARG 33 1HD ARG 33 7.859 6.190 4.771 221 HD3 ARG 33 2HD ARG 33 8.668 4.858 5.595 222 HE ARG 33 HE ARG 33 10.631 6.695 5.331 223 HH11 ARG 33 1HH1 ARG 33 7.386 6.833 6.585 224 HH12 ARG 33 2HH1 ARG 33 7.744 8.079 7.734 225 HH21 ARG 33 1HH2 ARG 33 11.114 8.336 6.840 226 HH22 ARG 33 2HH2 ARG 33 9.865 8.934 7.878 227 H ILE 34 H ILE 34 11.125 1.320 3.687 228 HA ILE 34 HA ILE 34 13.819 1.230 4.399 229 HB ILE 34 HB ILE 34 13.540 -1.132 4.776 230 HG12 ILE 34 1HG1 ILE 34 11.103 -1.988 4.087 231 HG13 ILE 34 2HG1 ILE 34 11.332 -0.803 2.805 232 HG21 ILE 34 1HG2 ILE 34 12.504 0.299 6.407 233 HG22 ILE 34 2HG2 ILE 34 11.047 0.434 5.422 234 HG23 ILE 34 3HG2 ILE 34 11.477 -1.112 6.154 235 HD11 ILE 34 3HD1 ILE 34 13.296 -1.925 2.037 236 HD12 ILE 34 1HD1 ILE 34 13.267 -3.021 3.418 237 HD13 ILE 34 2HD1 ILE 34 11.999 -3.109 2.195 238 H HIS 35 H HIS 35 12.228 0.414 1.398 239 HA HIS 35 HA HIS 35 14.465 -0.973 0.266 240 HB2 HIS 35 1HB HIS 35 11.891 0.109 -0.859 241 HB3 HIS 35 2HB HIS 35 13.132 -0.578 -1.902 242 HD1 HIS 35 HD1 HIS 35 13.965 -3.030 -0.323 243 HD2 HIS 35 HD2 HIS 35 10.010 -1.839 -0.769 244 HE1 HIS 35 HE1 HIS 35 12.593 -5.104 0.052 245 H THR 36 H THR 36 13.256 2.324 0.219 246 HA THR 36 HA THR 36 15.316 3.154 -1.668 247 HB THR 36 HB THR 36 14.277 5.419 -1.422 248 HG1 THR 36 HG1 THR 36 13.168 5.557 0.400 249 HG21 THR 36 3HG2 THR 36 12.843 4.913 -3.076 250 HG22 THR 36 1HG2 THR 36 11.940 3.781 -2.070 251 HG23 THR 36 2HG2 THR 36 13.419 3.259 -2.876 252 H GLY 37 H GLY 37 17.289 3.540 -0.905 253 HA2 GLY 37 1HA GLY 37 17.978 5.531 0.851 254 HA3 GLY 37 2HA GLY 37 17.786 4.105 1.861 255 H GLU 38 H GLU 38 19.442 5.236 -1.075 256 HA GLU 38 HA GLU 38 21.487 3.195 -0.748 257 HB2 GLU 38 1HB GLU 38 20.734 5.134 -2.877 258 HB3 GLU 38 2HB GLU 38 22.410 4.608 -2.813 259 HG2 GLU 38 1HG GLU 38 21.556 3.050 -4.230 260 HG3 GLU 38 2HG GLU 38 21.321 2.223 -2.691 261 H LYS 39 H LYS 39 21.917 4.330 1.425 262 HA LYS 39 HA LYS 39 23.023 6.750 1.857 263 HB2 LYS 39 1HB LYS 39 23.030 5.547 3.791 264 HB3 LYS 39 2HB LYS 39 23.524 4.061 2.991 265 HG2 LYS 39 1HG LYS 39 25.819 4.924 2.841 266 HG3 LYS 39 2HG LYS 39 25.310 6.381 3.698 267 HD2 LYS 39 1HD LYS 39 24.430 4.617 5.456 268 HD3 LYS 39 2HD LYS 39 25.666 3.602 4.708 269 HE2 LYS 39 1HE LYS 39 26.056 6.288 6.021 270 HE3 LYS 39 2HE LYS 39 26.626 4.725 6.603 271 HZ1 LYS 39 3HZ LYS 39 28.339 4.706 5.152 272 HZ2 LYS 39 1HZ LYS 39 28.151 6.386 5.231 273 HZ3 LYS 39 2HZ LYS 39 27.489 5.520 3.937 274 HA PRO 40 HA PRO 40 27.402 5.374 0.362 275 HB2 PRO 40 1HB PRO 40 27.600 2.980 -0.903 276 HB3 PRO 40 2HB PRO 40 27.769 3.158 0.847 277 HG2 PRO 40 1HG PRO 40 25.391 2.281 -0.747 278 HG3 PRO 40 2HG PRO 40 26.036 1.609 0.762 279 HD2 PRO 40 1HD PRO 40 23.900 3.273 0.703 280 HD3 PRO 40 2HD PRO 40 25.047 3.240 2.057 281 H SER 41 H SER 41 28.457 5.448 -1.737 282 HA SER 41 HA SER 41 26.643 6.397 -3.789 283 HB2 SER 41 1HB SER 41 28.624 7.725 -3.340 284 HB3 SER 41 2HB SER 41 29.667 6.337 -3.648 285 HG SER 41 HG SER 41 28.826 6.352 -5.816 286 H GLY 42 H GLY 42 26.135 5.379 -5.641 287 HA2 GLY 42 1HA GLY 42 27.271 2.692 -6.035 288 HA3 GLY 42 2HA GLY 42 25.710 3.234 -6.633 289 HA PRO 43 HA PRO 43 28.610 3.337 -10.209 290 HB2 PRO 43 1HB PRO 43 26.788 2.402 -11.991 291 HB3 PRO 43 2HB PRO 43 27.772 1.340 -10.977 292 HG2 PRO 43 1HG PRO 43 24.940 2.233 -10.596 293 HG3 PRO 43 2HG PRO 43 25.645 0.621 -10.373 294 HD2 PRO 43 1HD PRO 43 25.138 2.288 -8.301 295 HD3 PRO 43 2HD PRO 43 26.493 1.141 -8.294 296 H SER 44 H SER 44 25.927 5.012 -9.192 297 HA SER 44 HA SER 44 26.321 7.049 -11.225 298 HB2 SER 44 1HB SER 44 24.077 7.176 -11.962 299 HB3 SER 44 2HB SER 44 24.466 5.456 -11.999 300 HG SER 44 HG SER 44 23.157 5.102 -10.345 301 H SER 45 H SER 45 26.578 8.883 -10.157 302 HA SER 45 HA SER 45 25.914 9.195 -7.423 303 HB2 SER 45 1HB SER 45 26.627 11.332 -9.447 304 HB3 SER 45 2HB SER 45 26.685 11.501 -7.693 305 HG SER 45 HG SER 45 28.514 10.447 -7.651 306 H GLY 46 H GLY 46 24.541 10.652 -10.372 307 HA2 GLY 46 1HA GLY 46 22.347 11.259 -10.799 308 HA3 GLY 46 2HA GLY 46 21.910 10.675 -9.200 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -11.795 -20.095 -16.514 2 HA2 GLY 1 1HA GLY 1 -10.789 -20.565 -14.114 3 HA3 GLY 1 2HA GLY 1 -10.690 -18.810 -14.134 4 H SER 2 H SER 2 -12.608 -17.579 -14.142 5 HA SER 2 HA SER 2 -14.637 -17.115 -13.176 6 HB2 SER 2 1HB SER 2 -16.481 -17.943 -14.436 7 HB3 SER 2 2HB SER 2 -15.128 -17.848 -15.563 8 HG SER 2 HG SER 2 -16.531 -20.025 -14.697 9 H SER 3 H SER 3 -13.143 -18.748 -11.506 10 HA SER 3 HA SER 3 -15.278 -20.274 -10.194 11 HB2 SER 3 1HB SER 3 -12.469 -21.245 -10.739 12 HB3 SER 3 2HB SER 3 -13.532 -21.992 -9.547 13 HG SER 3 HG SER 3 -14.740 -22.803 -11.105 14 H GLY 4 H GLY 4 -15.414 -19.965 -8.041 15 HA2 GLY 4 1HA GLY 4 -14.256 -19.652 -5.904 16 HA3 GLY 4 2HA GLY 4 -13.181 -18.538 -6.734 17 H SER 5 H SER 5 -15.816 -18.760 -4.735 18 HA SER 5 HA SER 5 -17.096 -16.305 -5.633 19 HB2 SER 5 1HB SER 5 -17.719 -18.332 -3.495 20 HB3 SER 5 2HB SER 5 -18.540 -16.771 -3.537 21 HG SER 5 HG SER 5 -19.275 -17.275 -5.619 22 H SER 6 H SER 6 -15.312 -14.886 -5.272 23 HA SER 6 HA SER 6 -15.373 -13.617 -2.735 24 HB2 SER 6 1HB SER 6 -13.092 -14.011 -2.002 25 HB3 SER 6 2HB SER 6 -13.915 -15.561 -2.181 26 HG SER 6 HG SER 6 -12.909 -15.692 -4.281 27 H GLY 7 H GLY 7 -14.569 -11.553 -2.833 28 HA2 GLY 7 1HA GLY 7 -14.202 -10.402 -5.382 29 HA3 GLY 7 2HA GLY 7 -13.914 -9.600 -3.845 30 H SER 8 H SER 8 -11.993 -8.633 -4.109 31 HA SER 8 HA SER 8 -9.834 -9.926 -5.522 32 HB2 SER 8 1HB SER 8 -8.562 -7.852 -4.899 33 HB3 SER 8 2HB SER 8 -10.054 -7.539 -5.785 34 HG SER 8 HG SER 8 -9.366 -6.898 -3.195 35 H GLY 9 H GLY 9 -9.353 -11.760 -4.298 36 HA2 GLY 9 1HA GLY 9 -9.026 -12.030 -1.597 37 HA3 GLY 9 2HA GLY 9 -8.051 -12.896 -2.775 38 H GLU 10 H GLU 10 -6.529 -10.925 -3.880 39 HA GLU 10 HA GLU 10 -4.732 -10.322 -1.679 40 HB2 GLU 10 1HB GLU 10 -4.167 -11.250 -4.091 41 HB3 GLU 10 2HB GLU 10 -4.142 -9.540 -4.500 42 HG2 GLU 10 1HG GLU 10 -2.595 -10.454 -2.133 43 HG3 GLU 10 2HG GLU 10 -1.969 -10.806 -3.743 44 H LYS 11 H LYS 11 -4.394 -8.365 -0.823 45 HA LYS 11 HA LYS 11 -6.158 -6.255 -1.164 46 HB2 LYS 11 1HB LYS 11 -3.415 -6.472 0.022 47 HB3 LYS 11 2HB LYS 11 -4.177 -4.893 -0.122 48 HG2 LYS 11 1HG LYS 11 -4.773 -5.524 2.006 49 HG3 LYS 11 2HG LYS 11 -6.179 -6.035 1.070 50 HD2 LYS 11 1HD LYS 11 -5.694 -8.261 1.300 51 HD3 LYS 11 2HD LYS 11 -3.957 -7.979 1.440 52 HE2 LYS 11 1HE LYS 11 -5.845 -7.070 3.582 53 HE3 LYS 11 2HE LYS 11 -5.273 -8.736 3.530 54 HZ1 LYS 11 3HZ LYS 11 -3.716 -7.745 4.867 55 HZ2 LYS 11 1HZ LYS 11 -3.760 -6.269 4.040 56 HZ3 LYS 11 2HZ LYS 11 -2.963 -7.597 3.360 57 HA PRO 12 HA PRO 12 -4.916 -4.154 -4.819 58 HB2 PRO 12 1HB PRO 12 -5.646 -1.616 -4.192 59 HB3 PRO 12 2HB PRO 12 -6.816 -2.885 -4.574 60 HG2 PRO 12 1HG PRO 12 -5.942 -1.857 -1.901 61 HG3 PRO 12 2HG PRO 12 -7.575 -2.255 -2.468 62 HD2 PRO 12 1HD PRO 12 -6.124 -3.928 -0.909 63 HD3 PRO 12 2HD PRO 12 -7.278 -4.515 -2.123 64 H TYR 13 H TYR 13 -3.284 -3.895 -1.966 65 HA TYR 13 HA TYR 13 -1.247 -2.155 -3.180 66 HB2 TYR 13 1HB TYR 13 -1.918 -2.192 -0.233 67 HB3 TYR 13 2HB TYR 13 -0.775 -1.130 -1.049 68 HD1 TYR 13 HD2 TYR 13 -1.663 0.578 -2.683 69 HD2 TYR 13 HD1 TYR 13 -4.202 -1.625 -0.074 70 HE1 TYR 13 HE2 TYR 13 -3.442 2.243 -3.017 71 HE2 TYR 13 HE1 TYR 13 -5.988 0.033 -0.402 72 HH TYR 13 HH TYR 13 -6.482 1.811 -2.514 73 H LYS 14 H LYS 14 0.313 -3.555 -3.709 74 HA LYS 14 HA LYS 14 1.466 -5.184 -1.569 75 HB2 LYS 14 1HB LYS 14 0.117 -6.796 -2.679 76 HB3 LYS 14 2HB LYS 14 0.582 -6.198 -4.267 77 HG2 LYS 14 1HG LYS 14 2.820 -7.050 -3.979 78 HG3 LYS 14 2HG LYS 14 2.449 -7.549 -2.327 79 HD2 LYS 14 1HD LYS 14 1.115 -9.305 -3.018 80 HD3 LYS 14 2HD LYS 14 0.786 -8.572 -4.590 81 HE2 LYS 14 1HE LYS 14 3.120 -8.993 -5.247 82 HE3 LYS 14 2HE LYS 14 3.407 -9.767 -3.690 83 HZ1 LYS 14 3HZ LYS 14 1.145 -10.828 -5.124 84 HZ2 LYS 14 1HZ LYS 14 2.418 -11.638 -4.359 85 HZ3 LYS 14 2HZ LYS 14 2.617 -11.042 -5.929 86 H CYS 15 H CYS 15 3.556 -4.743 -1.418 87 HA CYS 15 HA CYS 15 4.977 -3.090 -3.128 88 HB2 CYS 15 1HB CYS 15 5.679 -3.556 -0.827 89 HB3 CYS 15 2HB CYS 15 6.060 -5.217 -1.268 90 H ASN 16 H ASN 16 6.705 -3.502 -4.600 91 HA ASN 16 HA ASN 16 6.386 -6.051 -6.035 92 HB2 ASN 16 1HB ASN 16 7.425 -3.402 -7.068 93 HB3 ASN 16 2HB ASN 16 7.205 -4.867 -8.021 94 HD21 ASN 16 1HD2 ASN 16 5.385 -2.721 -5.864 95 HD22 ASN 16 2HD2 ASN 16 3.920 -2.762 -6.780 96 H GLU 17 H GLU 17 8.625 -3.998 -4.385 97 HA GLU 17 HA GLU 17 11.041 -4.993 -5.430 98 HB2 GLU 17 1HB GLU 17 10.718 -2.931 -3.988 99 HB3 GLU 17 2HB GLU 17 10.626 -4.014 -2.607 100 HG2 GLU 17 1HG GLU 17 12.845 -3.125 -2.779 101 HG3 GLU 17 2HG GLU 17 12.878 -4.849 -3.143 102 H CYS 18 H CYS 18 9.108 -5.985 -2.625 103 HA CYS 18 HA CYS 18 10.701 -8.462 -2.508 104 HB2 CYS 18 1HB CYS 18 10.056 -8.589 -0.112 105 HB3 CYS 18 2HB CYS 18 11.019 -7.164 -0.488 106 H GLY 19 H GLY 19 7.470 -7.058 -2.229 107 HA2 GLY 19 1HA GLY 19 5.644 -8.209 -3.357 108 HA3 GLY 19 2HA GLY 19 6.370 -9.727 -2.849 109 H LYS 20 H LYS 20 6.439 -7.259 -0.500 110 HA LYS 20 HA LYS 20 4.757 -8.742 1.261 111 HB2 LYS 20 1HB LYS 20 6.765 -7.085 1.735 112 HB3 LYS 20 2HB LYS 20 5.473 -5.894 1.809 113 HG2 LYS 20 1HG LYS 20 4.429 -7.011 3.622 114 HG3 LYS 20 2HG LYS 20 5.473 -8.422 3.436 115 HD2 LYS 20 1HD LYS 20 6.538 -5.684 4.086 116 HD3 LYS 20 2HD LYS 20 6.046 -6.836 5.330 117 HE2 LYS 20 1HE LYS 20 7.672 -8.441 4.527 118 HE3 LYS 20 2HE LYS 20 8.115 -7.369 3.200 119 HZ1 LYS 20 3HZ LYS 20 9.624 -6.482 4.533 120 HZ2 LYS 20 1HZ LYS 20 9.091 -7.403 5.849 121 HZ3 LYS 20 2HZ LYS 20 8.388 -5.898 5.530 122 H VAL 21 H VAL 21 2.671 -8.422 1.849 123 HA VAL 21 HA VAL 21 1.175 -6.390 0.335 124 HB VAL 21 HB VAL 21 0.076 -8.866 1.670 125 HG11 VAL 21 1HG1 VAL 21 -1.536 -7.043 1.386 126 HG12 VAL 21 2HG1 VAL 21 -1.156 -6.978 -0.336 127 HG13 VAL 21 3HG1 VAL 21 -1.918 -8.415 0.347 128 HG21 VAL 21 3HG2 VAL 21 1.463 -9.669 -0.057 129 HG22 VAL 21 1HG2 VAL 21 -0.164 -9.651 -0.737 130 HG23 VAL 21 2HG2 VAL 21 0.981 -8.377 -1.156 131 H PHE 22 H PHE 22 -0.358 -5.097 1.363 132 HA PHE 22 HA PHE 22 -0.384 -5.170 4.299 133 HB2 PHE 22 1HB PHE 22 -0.198 -2.599 2.729 134 HB3 PHE 22 2HB PHE 22 -0.054 -2.811 4.470 135 HD1 PHE 22 HD1 PHE 22 1.592 -3.664 1.256 136 HD2 PHE 22 HD2 PHE 22 2.029 -3.116 5.454 137 HE1 PHE 22 HE1 PHE 22 4.034 -3.863 1.024 138 HE2 PHE 22 HE2 PHE 22 4.471 -3.313 5.229 139 HZ PHE 22 HZ PHE 22 5.477 -3.687 3.012 140 H THR 23 H THR 23 -2.100 -3.440 5.068 141 HA THR 23 HA THR 23 -4.577 -4.170 3.710 142 HB THR 23 HB THR 23 -4.139 -2.815 6.379 143 HG1 THR 23 HG1 THR 23 -5.229 -5.385 6.068 144 HG21 THR 23 3HG2 THR 23 -6.281 -2.179 5.390 145 HG22 THR 23 1HG2 THR 23 -6.523 -3.256 6.764 146 HG23 THR 23 2HG2 THR 23 -6.672 -3.877 5.121 147 H GLN 24 H GLN 24 -3.294 -1.197 5.217 148 HA GLN 24 HA GLN 24 -4.921 0.382 3.367 149 HB2 GLN 24 1HB GLN 24 -3.288 1.416 5.681 150 HB3 GLN 24 2HB GLN 24 -4.606 2.226 4.844 151 HG2 GLN 24 1HG GLN 24 -4.994 -0.317 6.391 152 HG3 GLN 24 2HG GLN 24 -5.117 1.279 7.129 153 HE21 GLN 24 1HE2 GLN 24 -7.245 1.331 7.577 154 HE22 GLN 24 2HE2 GLN 24 -8.496 1.241 6.390 155 H ASN 25 H ASN 25 -4.033 2.084 2.131 156 HA ASN 25 HA ASN 25 -1.596 1.486 0.864 157 HB2 ASN 25 1HB ASN 25 -1.877 3.802 -0.147 158 HB3 ASN 25 2HB ASN 25 -3.219 2.687 -0.389 159 HD21 ASN 25 1HD2 ASN 25 -2.132 5.570 1.186 160 HD22 ASN 25 2HD2 ASN 25 -3.680 6.098 1.744 161 H SER 26 H SER 26 -2.424 3.732 3.443 162 HA SER 26 HA SER 26 -0.077 5.232 3.524 163 HB2 SER 26 1HB SER 26 -0.678 5.355 6.072 164 HB3 SER 26 2HB SER 26 -1.764 6.075 4.883 165 HG SER 26 HG SER 26 -2.183 3.400 5.521 166 H HIS 27 H HIS 27 -0.526 1.941 4.145 167 HA HIS 27 HA HIS 27 1.755 1.714 5.943 168 HB2 HIS 27 1HB HIS 27 -0.105 -0.373 4.789 169 HB3 HIS 27 2HB HIS 27 1.210 -0.721 5.908 170 HD1 HIS 27 HD1 HIS 27 -1.336 -1.598 6.982 171 HD2 HIS 27 HD2 HIS 27 -0.147 2.367 7.336 172 HE1 HIS 27 HE1 HIS 27 -2.667 -0.666 8.901 173 H LEU 28 H LEU 28 0.858 0.998 2.619 174 HA LEU 28 HA LEU 28 3.320 -0.357 2.020 175 HB2 LEU 28 1HB LEU 28 1.481 -1.037 0.736 176 HB3 LEU 28 2HB LEU 28 1.006 0.623 0.382 177 HG LEU 28 HG LEU 28 3.259 0.705 -0.922 178 HD11 LEU 28 1HD1 LEU 28 4.414 -1.206 -0.683 179 HD12 LEU 28 2HD1 LEU 28 3.331 -1.799 -1.941 180 HD13 LEU 28 3HD1 LEU 28 2.983 -2.141 -0.247 181 HD21 LEU 28 3HD2 LEU 28 1.270 -1.029 -2.279 182 HD22 LEU 28 1HD2 LEU 28 2.055 0.449 -2.836 183 HD23 LEU 28 2HD2 LEU 28 0.723 0.539 -1.684 184 H THR 29 H THR 29 1.906 2.685 0.796 185 HA THR 29 HA THR 29 4.001 3.710 -0.587 186 HB THR 29 HB THR 29 1.816 4.845 -0.351 187 HG1 THR 29 HG1 THR 29 4.272 6.147 -0.088 188 HG21 THR 29 3HG2 THR 29 2.808 6.078 2.194 189 HG22 THR 29 1HG2 THR 29 1.891 4.573 2.226 190 HG23 THR 29 2HG2 THR 29 1.170 6.031 1.544 191 H ASN 30 H ASN 30 3.807 3.289 2.843 192 HA ASN 30 HA ASN 30 6.147 4.962 3.324 193 HB2 ASN 30 1HB ASN 30 4.477 5.226 4.988 194 HB3 ASN 30 2HB ASN 30 4.250 3.487 5.145 195 HD21 ASN 30 1HD2 ASN 30 5.607 2.314 6.429 196 HD22 ASN 30 2HD2 ASN 30 6.791 3.031 7.462 197 H HIS 31 H HIS 31 5.228 1.616 3.073 198 HA HIS 31 HA HIS 31 7.395 0.410 4.368 199 HB2 HIS 31 1HB HIS 31 5.610 -1.015 3.818 200 HB3 HIS 31 2HB HIS 31 5.580 -0.478 2.140 201 HD1 HIS 31 HD1 HIS 31 7.523 -2.693 4.484 202 HD2 HIS 31 HD2 HIS 31 7.222 -1.884 0.420 203 HE1 HIS 31 HE1 HIS 31 8.870 -4.482 3.341 204 H TRP 32 H TRP 32 6.999 1.399 0.984 205 HA TRP 32 HA TRP 32 9.270 0.418 -0.161 206 HB2 TRP 32 1HB TRP 32 7.724 2.943 -0.573 207 HB3 TRP 32 2HB TRP 32 9.254 2.742 -1.423 208 HD1 TRP 32 HD1 TRP 32 5.991 0.675 -0.952 209 HE1 TRP 32 HE1 TRP 32 5.462 -0.475 -3.193 210 HE3 TRP 32 HE3 TRP 32 10.035 2.255 -3.651 211 HZ2 TRP 32 HZ2 TRP 32 6.607 -0.685 -5.764 212 HZ3 TRP 32 HZ3 TRP 32 10.244 1.534 -5.994 213 HH2 TRP 32 HH2 TRP 32 8.565 0.094 -7.027 214 H ARG 33 H ARG 33 9.066 2.772 2.330 215 HA ARG 33 HA ARG 33 11.381 4.252 2.001 216 HB2 ARG 33 1HB ARG 33 9.937 3.296 4.461 217 HB3 ARG 33 2HB ARG 33 11.392 4.278 4.580 218 HG2 ARG 33 1HG ARG 33 10.188 5.937 3.061 219 HG3 ARG 33 2HG ARG 33 8.727 5.017 3.425 220 HD2 ARG 33 1HD ARG 33 8.850 5.529 5.718 221 HD3 ARG 33 2HD ARG 33 10.519 6.082 5.587 222 HE ARG 33 HE ARG 33 8.159 7.619 5.117 223 HH11 ARG 33 1HH1 ARG 33 11.495 7.234 4.201 224 HH12 ARG 33 2HH1 ARG 33 11.689 8.887 3.718 225 HH21 ARG 33 1HH2 ARG 33 8.401 9.797 4.485 226 HH22 ARG 33 2HH2 ARG 33 9.929 10.344 3.880 227 H ILE 34 H ILE 34 11.005 1.173 3.752 228 HA ILE 34 HA ILE 34 13.693 0.858 4.465 229 HB ILE 34 HB ILE 34 13.201 -1.466 4.869 230 HG12 ILE 34 1HG1 ILE 34 10.454 -1.244 3.725 231 HG13 ILE 34 2HG1 ILE 34 11.795 -1.507 2.615 232 HG21 ILE 34 1HG2 ILE 34 10.668 -0.865 5.839 233 HG22 ILE 34 2HG2 ILE 34 12.201 -0.662 6.685 234 HG23 ILE 34 3HG2 ILE 34 11.505 0.685 5.785 235 HD11 ILE 34 3HD1 ILE 34 12.200 -3.348 4.650 236 HD12 ILE 34 1HD1 ILE 34 10.460 -3.362 4.366 237 HD13 ILE 34 2HD1 ILE 34 11.574 -3.668 3.033 238 H HIS 35 H HIS 35 12.230 0.705 1.419 239 HA HIS 35 HA HIS 35 14.281 -1.045 0.292 240 HB2 HIS 35 1HB HIS 35 11.748 0.152 -0.817 241 HB3 HIS 35 2HB HIS 35 12.936 -0.633 -1.853 242 HD1 HIS 35 HD1 HIS 35 13.596 -2.988 0.145 243 HD2 HIS 35 HD2 HIS 35 9.798 -1.782 -1.028 244 HE1 HIS 35 HE1 HIS 35 12.117 -4.993 0.491 245 H THR 36 H THR 36 13.156 2.292 0.165 246 HA THR 36 HA THR 36 15.176 3.046 -1.768 247 HB THR 36 HB THR 36 14.302 5.361 -1.411 248 HG1 THR 36 HG1 THR 36 12.182 4.225 0.064 249 HG21 THR 36 3HG2 THR 36 13.229 4.466 -3.212 250 HG22 THR 36 1HG2 THR 36 11.842 4.621 -2.135 251 HG23 THR 36 2HG2 THR 36 12.651 3.064 -2.311 252 H GLY 37 H GLY 37 17.088 4.015 -1.359 253 HA2 GLY 37 1HA GLY 37 18.422 5.508 0.036 254 HA3 GLY 37 2HA GLY 37 17.659 4.772 1.438 255 H GLU 38 H GLU 38 19.161 3.328 -1.445 256 HA GLU 38 HA GLU 38 20.869 1.757 0.363 257 HB2 GLU 38 1HB GLU 38 20.062 1.192 -2.496 258 HB3 GLU 38 2HB GLU 38 21.084 0.162 -1.503 259 HG2 GLU 38 1HG GLU 38 18.384 0.875 -0.490 260 HG3 GLU 38 2HG GLU 38 18.516 -0.309 -1.789 261 H LYS 39 H LYS 39 23.066 1.660 0.066 262 HA LYS 39 HA LYS 39 24.450 3.856 -0.801 263 HB2 LYS 39 1HB LYS 39 25.818 2.508 0.425 264 HB3 LYS 39 2HB LYS 39 25.163 1.030 -0.270 265 HG2 LYS 39 1HG LYS 39 27.458 1.253 -0.919 266 HG3 LYS 39 2HG LYS 39 26.436 1.487 -2.340 267 HD2 LYS 39 1HD LYS 39 27.979 3.208 -2.535 268 HD3 LYS 39 2HD LYS 39 26.613 4.004 -1.750 269 HE2 LYS 39 1HE LYS 39 28.304 4.736 -0.404 270 HE3 LYS 39 2HE LYS 39 27.887 3.244 0.437 271 HZ1 LYS 39 3HZ LYS 39 30.161 3.717 -1.402 272 HZ2 LYS 39 1HZ LYS 39 29.672 2.165 -0.941 273 HZ3 LYS 39 2HZ LYS 39 30.215 3.261 0.226 274 HA PRO 40 HA PRO 40 25.336 1.778 -5.068 275 HB2 PRO 40 1HB PRO 40 23.955 -0.480 -5.671 276 HB3 PRO 40 2HB PRO 40 25.515 -0.501 -4.842 277 HG2 PRO 40 1HG PRO 40 22.759 -0.737 -3.698 278 HG3 PRO 40 2HG PRO 40 24.220 -1.659 -3.297 279 HD2 PRO 40 1HD PRO 40 23.330 0.395 -1.773 280 HD3 PRO 40 2HD PRO 40 25.054 0.010 -1.944 281 H SER 41 H SER 41 24.204 3.599 -5.789 282 HA SER 41 HA SER 41 21.408 3.810 -5.959 283 HB2 SER 41 1HB SER 41 21.887 5.624 -7.630 284 HB3 SER 41 2HB SER 41 22.766 5.795 -6.111 285 HG SER 41 HG SER 41 24.263 6.094 -7.680 286 H GLY 42 H GLY 42 23.757 3.141 -8.567 287 HA2 GLY 42 1HA GLY 42 22.148 2.693 -10.688 288 HA3 GLY 42 2HA GLY 42 23.564 1.702 -10.370 289 HA PRO 43 HA PRO 43 19.354 -0.580 -9.795 290 HB2 PRO 43 1HB PRO 43 18.833 -1.410 -12.326 291 HB3 PRO 43 2HB PRO 43 18.196 0.098 -11.660 292 HG2 PRO 43 1HG PRO 43 20.560 -0.335 -13.445 293 HG3 PRO 43 2HG PRO 43 19.308 0.919 -13.530 294 HD2 PRO 43 1HD PRO 43 21.760 1.376 -12.475 295 HD3 PRO 43 2HD PRO 43 20.299 2.196 -11.886 296 H SER 44 H SER 44 18.953 -2.941 -10.708 297 HA SER 44 HA SER 44 20.926 -4.596 -9.810 298 HB2 SER 44 1HB SER 44 19.002 -5.239 -12.058 299 HB3 SER 44 2HB SER 44 19.835 -6.410 -11.035 300 HG SER 44 HG SER 44 18.362 -4.468 -9.717 301 H SER 45 H SER 45 20.268 -4.136 -13.287 302 HA SER 45 HA SER 45 23.015 -4.952 -13.869 303 HB2 SER 45 1HB SER 45 21.184 -6.041 -15.119 304 HB3 SER 45 2HB SER 45 20.693 -4.471 -15.754 305 HG SER 45 HG SER 45 22.888 -6.055 -16.408 306 H GLY 46 H GLY 46 24.447 -3.695 -15.074 307 HA2 GLY 46 1HA GLY 46 23.906 -1.235 -16.270 308 HA3 GLY 46 2HA GLY 46 24.342 -0.909 -14.599 Start of MODEL 11 1 H1 GLY 1 H GLY 1 8.954 -27.013 -10.290 2 HA2 GLY 1 1HA GLY 1 6.875 -26.614 -11.400 3 HA3 GLY 1 2HA GLY 1 6.444 -27.360 -9.868 4 H SER 2 H SER 2 4.385 -26.230 -10.280 5 HA SER 2 HA SER 2 4.369 -23.354 -10.030 6 HB2 SER 2 1HB SER 2 2.697 -24.802 -11.361 7 HB3 SER 2 2HB SER 2 1.946 -25.129 -9.800 8 HG SER 2 HG SER 2 1.045 -23.247 -9.923 9 H SER 3 H SER 3 4.624 -22.373 -8.147 10 HA SER 3 HA SER 3 3.682 -23.728 -5.707 11 HB2 SER 3 1HB SER 3 5.331 -22.303 -4.501 12 HB3 SER 3 2HB SER 3 6.086 -23.377 -5.678 13 HG SER 3 HG SER 3 5.989 -21.511 -7.140 14 H GLY 4 H GLY 4 1.554 -22.945 -5.848 15 HA2 GLY 4 1HA GLY 4 1.184 -20.351 -4.679 16 HA3 GLY 4 2HA GLY 4 0.660 -20.408 -6.355 17 H SER 5 H SER 5 -1.104 -19.834 -4.301 18 HA SER 5 HA SER 5 -2.516 -22.159 -3.435 19 HB2 SER 5 1HB SER 5 -3.011 -19.208 -3.339 20 HB3 SER 5 2HB SER 5 -4.348 -20.310 -3.010 21 HG SER 5 HG SER 5 -3.538 -20.531 -1.097 22 H SER 6 H SER 6 -3.101 -19.716 -5.946 23 HA SER 6 HA SER 6 -4.246 -19.839 -7.917 24 HB2 SER 6 1HB SER 6 -3.280 -22.262 -7.848 25 HB3 SER 6 2HB SER 6 -4.927 -22.722 -7.416 26 HG SER 6 HG SER 6 -4.672 -22.803 -9.654 27 H GLY 7 H GLY 7 -5.512 -18.936 -5.617 28 HA2 GLY 7 1HA GLY 7 -8.273 -19.899 -6.049 29 HA3 GLY 7 2HA GLY 7 -7.673 -19.425 -4.467 30 H SER 8 H SER 8 -9.897 -18.216 -5.163 31 HA SER 8 HA SER 8 -9.451 -15.798 -6.654 32 HB2 SER 8 1HB SER 8 -11.793 -16.569 -4.896 33 HB3 SER 8 2HB SER 8 -11.759 -15.248 -6.063 34 HG SER 8 HG SER 8 -12.693 -16.938 -7.107 35 H GLY 9 H GLY 9 -9.015 -13.790 -5.907 36 HA2 GLY 9 1HA GLY 9 -9.439 -12.356 -3.799 37 HA3 GLY 9 2HA GLY 9 -8.422 -13.569 -3.034 38 H GLU 10 H GLU 10 -8.110 -10.611 -3.544 39 HA GLU 10 HA GLU 10 -5.320 -10.674 -4.113 40 HB2 GLU 10 1HB GLU 10 -6.081 -10.809 -6.413 41 HB3 GLU 10 2HB GLU 10 -7.149 -9.433 -6.174 42 HG2 GLU 10 1HG GLU 10 -5.161 -8.781 -7.390 43 HG3 GLU 10 2HG GLU 10 -5.220 -7.987 -5.817 44 H LYS 11 H LYS 11 -4.283 -8.826 -3.435 45 HA LYS 11 HA LYS 11 -5.988 -6.875 -2.062 46 HB2 LYS 11 1HB LYS 11 -4.114 -8.188 -0.884 47 HB3 LYS 11 2HB LYS 11 -3.005 -7.133 -1.749 48 HG2 LYS 11 1HG LYS 11 -3.303 -6.193 0.394 49 HG3 LYS 11 2HG LYS 11 -4.226 -5.187 -0.725 50 HD2 LYS 11 1HD LYS 11 -5.716 -5.463 1.023 51 HD3 LYS 11 2HD LYS 11 -6.203 -6.750 -0.083 52 HE2 LYS 11 1HE LYS 11 -6.133 -7.757 2.038 53 HE3 LYS 11 2HE LYS 11 -4.643 -8.261 1.241 54 HZ1 LYS 11 3HZ LYS 11 -3.368 -6.928 2.582 55 HZ2 LYS 11 1HZ LYS 11 -4.586 -7.382 3.665 56 HZ3 LYS 11 2HZ LYS 11 -4.630 -5.858 2.934 57 HA PRO 12 HA PRO 12 -5.068 -3.824 -5.122 58 HB2 PRO 12 1HB PRO 12 -5.858 -1.644 -3.710 59 HB3 PRO 12 2HB PRO 12 -6.998 -2.785 -4.434 60 HG2 PRO 12 1HG PRO 12 -6.044 -2.598 -1.602 61 HG3 PRO 12 2HG PRO 12 -7.684 -2.878 -2.214 62 HD2 PRO 12 1HD PRO 12 -6.108 -4.882 -1.301 63 HD3 PRO 12 2HD PRO 12 -7.293 -5.116 -2.602 64 H TYR 13 H TYR 13 -3.471 -4.195 -2.170 65 HA TYR 13 HA TYR 13 -1.419 -2.258 -2.999 66 HB2 TYR 13 1HB TYR 13 -2.151 -2.787 -0.117 67 HB3 TYR 13 2HB TYR 13 -1.054 -1.558 -0.737 68 HD1 TYR 13 HD2 TYR 13 -2.031 0.321 -2.143 69 HD2 TYR 13 HD1 TYR 13 -4.440 -2.331 0.152 70 HE1 TYR 13 HE2 TYR 13 -3.884 1.935 -2.234 71 HE2 TYR 13 HE1 TYR 13 -6.300 -0.724 0.067 72 HH TYR 13 HH TYR 13 -5.893 2.497 -1.098 73 H LYS 14 H LYS 14 0.202 -3.514 -3.668 74 HA LYS 14 HA LYS 14 1.326 -5.436 -1.782 75 HB2 LYS 14 1HB LYS 14 -0.075 -6.840 -3.156 76 HB3 LYS 14 2HB LYS 14 0.560 -6.111 -4.626 77 HG2 LYS 14 1HG LYS 14 2.726 -7.090 -4.229 78 HG3 LYS 14 2HG LYS 14 2.185 -7.729 -2.675 79 HD2 LYS 14 1HD LYS 14 0.372 -8.939 -4.044 80 HD3 LYS 14 2HD LYS 14 1.385 -8.571 -5.442 81 HE2 LYS 14 1HE LYS 14 3.137 -9.897 -4.672 82 HE3 LYS 14 2HE LYS 14 2.544 -9.885 -3.012 83 HZ1 LYS 14 3HZ LYS 14 1.301 -11.309 -5.303 84 HZ2 LYS 14 1HZ LYS 14 0.671 -11.258 -3.733 85 HZ3 LYS 14 2HZ LYS 14 2.152 -12.021 -4.026 86 H CYS 15 H CYS 15 3.406 -4.983 -1.560 87 HA CYS 15 HA CYS 15 4.797 -3.159 -3.178 88 HB2 CYS 15 1HB CYS 15 5.384 -3.631 -0.827 89 HB3 CYS 15 2HB CYS 15 5.930 -5.238 -1.295 90 H ASN 16 H ASN 16 6.768 -3.568 -4.424 91 HA ASN 16 HA ASN 16 6.540 -6.065 -5.966 92 HB2 ASN 16 1HB ASN 16 6.245 -3.655 -7.009 93 HB3 ASN 16 2HB ASN 16 8.006 -3.679 -7.015 94 HD21 ASN 16 1HD2 ASN 16 8.936 -4.489 -8.745 95 HD22 ASN 16 2HD2 ASN 16 8.207 -5.566 -9.882 96 H GLU 17 H GLU 17 8.823 -3.808 -4.489 97 HA GLU 17 HA GLU 17 11.234 -4.894 -5.192 98 HB2 GLU 17 1HB GLU 17 10.258 -3.542 -2.714 99 HB3 GLU 17 2HB GLU 17 11.865 -4.255 -2.708 100 HG2 GLU 17 1HG GLU 17 12.302 -2.091 -3.337 101 HG3 GLU 17 2HG GLU 17 12.198 -2.910 -4.895 102 H CYS 18 H CYS 18 9.329 -5.829 -2.325 103 HA CYS 18 HA CYS 18 10.843 -8.349 -2.235 104 HB2 CYS 18 1HB CYS 18 10.051 -8.523 0.104 105 HB3 CYS 18 2HB CYS 18 10.985 -7.058 -0.180 106 H GLY 19 H GLY 19 7.563 -7.012 -2.043 107 HA2 GLY 19 1HA GLY 19 5.808 -8.123 -3.315 108 HA3 GLY 19 2HA GLY 19 6.556 -9.655 -2.890 109 H LYS 20 H LYS 20 6.083 -7.012 -0.633 110 HA LYS 20 HA LYS 20 4.604 -8.757 1.127 111 HB2 LYS 20 1HB LYS 20 5.831 -6.053 1.316 112 HB3 LYS 20 2HB LYS 20 4.506 -6.416 2.415 113 HG2 LYS 20 1HG LYS 20 5.686 -8.142 3.456 114 HG3 LYS 20 2HG LYS 20 6.858 -8.253 2.140 115 HD2 LYS 20 1HD LYS 20 7.496 -5.847 2.775 116 HD3 LYS 20 2HD LYS 20 6.616 -6.155 4.274 117 HE2 LYS 20 1HE LYS 20 8.718 -8.062 3.323 118 HE3 LYS 20 2HE LYS 20 9.171 -6.591 4.182 119 HZ1 LYS 20 3HZ LYS 20 8.419 -8.972 5.309 120 HZ2 LYS 20 1HZ LYS 20 7.064 -7.977 5.507 121 HZ3 LYS 20 2HZ LYS 20 8.568 -7.487 6.106 122 H VAL 21 H VAL 21 2.663 -7.661 2.309 123 HA VAL 21 HA VAL 21 0.939 -6.252 0.400 124 HB VAL 21 HB VAL 21 0.109 -8.733 1.911 125 HG11 VAL 21 1HG1 VAL 21 -1.497 -7.040 0.001 126 HG12 VAL 21 2HG1 VAL 21 -2.050 -8.474 0.869 127 HG13 VAL 21 3HG1 VAL 21 -1.655 -7.001 1.757 128 HG21 VAL 21 3HG2 VAL 21 1.388 -8.460 -0.576 129 HG22 VAL 21 1HG2 VAL 21 0.649 -9.909 0.106 130 HG23 VAL 21 2HG2 VAL 21 -0.299 -8.838 -0.925 131 H PHE 22 H PHE 22 -0.493 -4.835 1.307 132 HA PHE 22 HA PHE 22 -0.729 -4.777 4.227 133 HB2 PHE 22 1HB PHE 22 -0.218 -2.258 2.653 134 HB3 PHE 22 2HB PHE 22 -0.168 -2.480 4.398 135 HD1 PHE 22 HD1 PHE 22 1.575 -3.241 1.237 136 HD2 PHE 22 HD2 PHE 22 1.803 -3.184 5.487 137 HE1 PHE 22 HE1 PHE 22 3.999 -3.643 1.109 138 HE2 PHE 22 HE2 PHE 22 4.228 -3.584 5.365 139 HZ PHE 22 HZ PHE 22 5.329 -3.813 3.174 140 H THR 23 H THR 23 -2.630 -3.870 5.015 141 HA THR 23 HA THR 23 -4.867 -3.996 3.242 142 HB THR 23 HB THR 23 -6.226 -3.421 5.202 143 HG1 THR 23 HG1 THR 23 -3.683 -2.973 6.403 144 HG21 THR 23 3HG2 THR 23 -5.946 -5.432 6.291 145 HG22 THR 23 1HG2 THR 23 -4.186 -5.327 6.262 146 HG23 THR 23 2HG2 THR 23 -5.069 -5.744 4.794 147 H GLN 24 H GLN 24 -3.183 -1.387 4.945 148 HA GLN 24 HA GLN 24 -4.830 0.572 3.504 149 HB2 GLN 24 1HB GLN 24 -3.036 0.907 5.913 150 HB3 GLN 24 2HB GLN 24 -3.918 2.214 5.134 151 HG2 GLN 24 1HG GLN 24 -6.017 1.246 5.734 152 HG3 GLN 24 2HG GLN 24 -5.229 -0.214 6.329 153 HE21 GLN 24 1HE2 GLN 24 -5.232 -0.312 8.446 154 HE22 GLN 24 2HE2 GLN 24 -5.048 1.017 9.534 155 H ASN 25 H ASN 25 -3.877 2.260 2.336 156 HA ASN 25 HA ASN 25 -1.594 1.591 0.848 157 HB2 ASN 25 1HB ASN 25 -1.758 3.856 -0.085 158 HB3 ASN 25 2HB ASN 25 -3.343 3.092 0.001 159 HD21 ASN 25 1HD2 ASN 25 -1.427 5.731 0.939 160 HD22 ASN 25 2HD2 ASN 25 -2.592 6.529 1.934 161 H SER 26 H SER 26 -2.031 3.981 3.447 162 HA SER 26 HA SER 26 0.418 5.149 3.563 163 HB2 SER 26 1HB SER 26 -1.613 5.470 5.114 164 HB3 SER 26 2HB SER 26 -0.911 4.179 6.089 165 HG SER 26 HG SER 26 0.455 5.570 6.849 166 H HIS 27 H HIS 27 -0.434 1.937 4.747 167 HA HIS 27 HA HIS 27 2.008 1.368 6.036 168 HB2 HIS 27 1HB HIS 27 0.010 -0.522 4.774 169 HB3 HIS 27 2HB HIS 27 1.306 -1.001 5.866 170 HD1 HIS 27 HD1 HIS 27 -0.581 -1.940 7.453 171 HD2 HIS 27 HD2 HIS 27 -0.605 2.180 6.918 172 HE1 HIS 27 HE1 HIS 27 -2.045 -1.033 9.285 173 H LEU 28 H LEU 28 0.876 0.763 2.733 174 HA LEU 28 HA LEU 28 3.228 -0.607 1.905 175 HB2 LEU 28 1HB LEU 28 1.120 -0.918 0.755 176 HB3 LEU 28 2HB LEU 28 1.083 0.787 0.312 177 HG LEU 28 HG LEU 28 3.100 0.414 -1.088 178 HD11 LEU 28 1HD1 LEU 28 4.042 -1.662 -1.433 179 HD12 LEU 28 2HD1 LEU 28 2.618 -2.524 -0.853 180 HD13 LEU 28 3HD1 LEU 28 3.682 -1.709 0.293 181 HD21 LEU 28 3HD2 LEU 28 1.928 -0.533 -2.911 182 HD22 LEU 28 1HD2 LEU 28 0.721 0.294 -1.926 183 HD23 LEU 28 2HD2 LEU 28 0.872 -1.462 -1.845 184 H THR 29 H THR 29 2.009 2.633 1.033 185 HA THR 29 HA THR 29 4.203 3.568 -0.331 186 HB THR 29 HB THR 29 2.188 4.878 -0.269 187 HG1 THR 29 HG1 THR 29 3.181 6.808 -0.181 188 HG21 THR 29 3HG2 THR 29 1.132 4.694 1.744 189 HG22 THR 29 1HG2 THR 29 1.921 6.250 2.000 190 HG23 THR 29 2HG2 THR 29 2.634 4.779 2.664 191 H ASN 30 H ASN 30 3.792 3.186 3.112 192 HA ASN 30 HA ASN 30 6.087 4.763 3.820 193 HB2 ASN 30 1HB ASN 30 4.287 4.571 5.420 194 HB3 ASN 30 2HB ASN 30 4.408 2.814 5.409 195 HD21 ASN 30 1HD2 ASN 30 5.200 2.143 7.258 196 HD22 ASN 30 2HD2 ASN 30 6.522 2.849 8.118 197 H HIS 31 H HIS 31 5.356 1.284 3.718 198 HA HIS 31 HA HIS 31 7.730 0.244 4.616 199 HB2 HIS 31 1HB HIS 31 6.024 -1.307 4.176 200 HB3 HIS 31 2HB HIS 31 5.791 -0.722 2.531 201 HD1 HIS 31 HD1 HIS 31 8.625 -2.367 4.482 202 HD2 HIS 31 HD2 HIS 31 6.857 -2.411 0.723 203 HE1 HIS 31 HE1 HIS 31 9.863 -4.124 3.178 204 H TRP 32 H TRP 32 6.950 0.885 1.193 205 HA TRP 32 HA TRP 32 9.202 0.247 -0.094 206 HB2 TRP 32 1HB TRP 32 7.376 2.589 -0.397 207 HB3 TRP 32 2HB TRP 32 8.850 2.549 -1.361 208 HD1 TRP 32 HD1 TRP 32 5.811 0.227 -0.671 209 HE1 TRP 32 HE1 TRP 32 5.272 -1.032 -2.850 210 HE3 TRP 32 HE3 TRP 32 9.607 2.007 -3.596 211 HZ2 TRP 32 HZ2 TRP 32 6.319 -1.243 -5.463 212 HZ3 TRP 32 HZ3 TRP 32 9.768 1.226 -5.924 213 HH2 TRP 32 HH2 TRP 32 8.157 -0.366 -6.836 214 H ARG 33 H ARG 33 8.863 2.950 2.115 215 HA ARG 33 HA ARG 33 11.027 4.507 1.641 216 HB2 ARG 33 1HB ARG 33 10.064 3.508 4.326 217 HB3 ARG 33 2HB ARG 33 11.193 4.839 4.114 218 HG2 ARG 33 1HG ARG 33 8.588 4.966 2.692 219 HG3 ARG 33 2HG ARG 33 8.614 5.249 4.433 220 HD2 ARG 33 1HD ARG 33 10.477 6.916 3.981 221 HD3 ARG 33 2HD ARG 33 10.055 6.768 2.275 222 HE ARG 33 HE ARG 33 7.771 7.359 3.862 223 HH11 ARG 33 1HH1 ARG 33 10.609 8.784 2.435 224 HH12 ARG 33 2HH1 ARG 33 9.918 10.369 2.327 225 HH21 ARG 33 1HH2 ARG 33 6.851 9.442 3.725 226 HH22 ARG 33 2HH2 ARG 33 7.781 10.742 3.061 227 H ILE 34 H ILE 34 11.114 1.536 3.611 228 HA ILE 34 HA ILE 34 13.840 1.497 4.134 229 HB ILE 34 HB ILE 34 13.629 -0.858 4.592 230 HG12 ILE 34 1HG1 ILE 34 11.173 -1.775 4.067 231 HG13 ILE 34 2HG1 ILE 34 11.309 -0.627 2.740 232 HG21 ILE 34 1HG2 ILE 34 12.580 -0.235 6.445 233 HG22 ILE 34 2HG2 ILE 34 11.835 1.123 5.603 234 HG23 ILE 34 3HG2 ILE 34 11.039 -0.450 5.615 235 HD11 ILE 34 3HD1 ILE 34 12.832 -3.126 3.253 236 HD12 ILE 34 1HD1 ILE 34 12.106 -2.528 1.761 237 HD13 ILE 34 2HD1 ILE 34 13.606 -1.819 2.358 238 H HIS 35 H HIS 35 12.071 0.401 1.299 239 HA HIS 35 HA HIS 35 14.263 -0.927 0.065 240 HB2 HIS 35 1HB HIS 35 11.611 0.087 -0.929 241 HB3 HIS 35 2HB HIS 35 12.799 -0.593 -2.037 242 HD1 HIS 35 HD1 HIS 35 13.780 -2.965 -0.334 243 HD2 HIS 35 HD2 HIS 35 9.786 -1.932 -0.826 244 HE1 HIS 35 HE1 HIS 35 12.480 -5.067 0.128 245 H THR 36 H THR 36 12.920 2.334 -0.174 246 HA THR 36 HA THR 36 14.739 3.161 -2.230 247 HB THR 36 HB THR 36 13.875 5.428 -1.817 248 HG1 THR 36 HG1 THR 36 11.974 5.306 -0.201 249 HG21 THR 36 3HG2 THR 36 12.349 3.147 -2.608 250 HG22 THR 36 1HG2 THR 36 12.223 4.811 -3.177 251 HG23 THR 36 2HG2 THR 36 11.287 4.284 -1.778 252 H GLY 37 H GLY 37 16.828 2.789 -1.487 253 HA2 GLY 37 1HA GLY 37 17.861 4.848 0.271 254 HA3 GLY 37 2HA GLY 37 18.017 3.211 0.890 255 H GLU 38 H GLU 38 19.421 1.754 -0.132 256 HA GLU 38 HA GLU 38 21.655 3.025 -1.436 257 HB2 GLU 38 1HB GLU 38 22.678 0.766 -1.340 258 HB3 GLU 38 2HB GLU 38 22.112 1.333 0.225 259 HG2 GLU 38 1HG GLU 38 20.258 -0.114 0.197 260 HG3 GLU 38 2HG GLU 38 20.465 -0.470 -1.517 261 H LYS 39 H LYS 39 22.609 2.198 -3.427 262 HA LYS 39 HA LYS 39 20.677 0.971 -5.267 263 HB2 LYS 39 1HB LYS 39 21.346 2.558 -7.032 264 HB3 LYS 39 2HB LYS 39 20.571 3.364 -5.675 265 HG2 LYS 39 1HG LYS 39 22.564 4.311 -4.938 266 HG3 LYS 39 2HG LYS 39 23.553 3.170 -5.853 267 HD2 LYS 39 1HD LYS 39 22.464 4.231 -7.934 268 HD3 LYS 39 2HD LYS 39 22.002 5.539 -6.843 269 HE2 LYS 39 1HE LYS 39 24.835 4.589 -6.926 270 HE3 LYS 39 2HE LYS 39 24.237 5.678 -8.177 271 HZ1 LYS 39 3HZ LYS 39 24.328 6.181 -5.255 272 HZ2 LYS 39 1HZ LYS 39 23.518 7.183 -6.351 273 HZ3 LYS 39 2HZ LYS 39 25.194 6.989 -6.463 274 HA PRO 40 HA PRO 40 25.037 -0.819 -5.402 275 HB2 PRO 40 1HB PRO 40 24.360 -3.329 -4.619 276 HB3 PRO 40 2HB PRO 40 24.807 -2.055 -3.478 277 HG2 PRO 40 1HG PRO 40 22.086 -3.021 -4.268 278 HG3 PRO 40 2HG PRO 40 22.705 -2.616 -2.657 279 HD2 PRO 40 1HD PRO 40 21.155 -0.921 -4.091 280 HD3 PRO 40 2HD PRO 40 22.415 -0.352 -2.977 281 H SER 41 H SER 41 25.490 -3.139 -6.463 282 HA SER 41 HA SER 41 24.811 -2.993 -9.122 283 HB2 SER 41 1HB SER 41 25.478 -5.416 -9.244 284 HB3 SER 41 2HB SER 41 26.645 -4.383 -8.421 285 HG SER 41 HG SER 41 25.341 -5.098 -6.456 286 H GLY 42 H GLY 42 23.480 -4.415 -10.459 287 HA2 GLY 42 1HA GLY 42 21.655 -6.122 -10.378 288 HA3 GLY 42 2HA GLY 42 20.980 -5.160 -9.071 289 HA PRO 43 HA PRO 43 18.982 -3.887 -13.074 290 HB2 PRO 43 1HB PRO 43 16.437 -4.065 -12.146 291 HB3 PRO 43 2HB PRO 43 17.302 -5.439 -12.846 292 HG2 PRO 43 1HG PRO 43 16.870 -4.739 -9.967 293 HG3 PRO 43 2HG PRO 43 16.759 -6.320 -10.763 294 HD2 PRO 43 1HD PRO 43 18.928 -5.558 -9.332 295 HD3 PRO 43 2HD PRO 43 19.042 -6.631 -10.742 296 H SER 44 H SER 44 19.512 -2.671 -10.059 297 HA SER 44 HA SER 44 17.839 -0.701 -9.401 298 HB2 SER 44 1HB SER 44 20.828 -0.332 -9.720 299 HB3 SER 44 2HB SER 44 19.773 0.693 -8.748 300 HG SER 44 HG SER 44 19.718 -2.055 -8.271 301 H SER 45 H SER 45 16.752 0.806 -10.458 302 HA SER 45 HA SER 45 17.655 1.676 -13.083 303 HB2 SER 45 1HB SER 45 15.083 1.799 -11.570 304 HB3 SER 45 2HB SER 45 15.361 2.992 -12.838 305 HG SER 45 HG SER 45 15.225 0.181 -13.053 306 H GLY 46 H GLY 46 19.450 2.957 -12.460 307 HA2 GLY 46 1HA GLY 46 18.750 5.694 -11.917 308 HA3 GLY 46 2HA GLY 46 19.626 4.937 -10.595 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -0.299 -37.116 -14.226 2 HA2 GLY 1 1HA GLY 1 -1.590 -35.012 -14.413 3 HA3 GLY 1 2HA GLY 1 -2.992 -35.940 -13.905 4 H SER 2 H SER 2 0.202 -34.837 -12.843 5 HA SER 2 HA SER 2 -0.866 -34.700 -10.103 6 HB2 SER 2 1HB SER 2 1.722 -35.873 -11.064 7 HB3 SER 2 2HB SER 2 1.637 -35.149 -9.458 8 HG SER 2 HG SER 2 -0.396 -36.915 -10.138 9 H SER 3 H SER 3 -0.677 -32.768 -9.175 10 HA SER 3 HA SER 3 1.497 -30.978 -9.854 11 HB2 SER 3 1HB SER 3 -1.333 -30.497 -10.698 12 HB3 SER 3 2HB SER 3 -0.350 -29.121 -10.199 13 HG SER 3 HG SER 3 0.262 -29.217 -12.222 14 H GLY 4 H GLY 4 1.054 -28.774 -8.630 15 HA2 GLY 4 1HA GLY 4 -0.504 -28.959 -6.233 16 HA3 GLY 4 2HA GLY 4 1.206 -29.227 -5.928 17 H SER 5 H SER 5 -0.829 -27.003 -5.327 18 HA SER 5 HA SER 5 1.040 -24.852 -5.545 19 HB2 SER 5 1HB SER 5 -1.351 -24.929 -7.366 20 HB3 SER 5 2HB SER 5 -0.697 -23.389 -6.811 21 HG SER 5 HG SER 5 1.245 -25.070 -7.706 22 H SER 6 H SER 6 0.548 -23.149 -4.181 23 HA SER 6 HA SER 6 -2.047 -23.095 -2.859 24 HB2 SER 6 1HB SER 6 0.542 -23.469 -1.333 25 HB3 SER 6 2HB SER 6 -1.029 -23.138 -0.604 26 HG SER 6 HG SER 6 -0.584 -25.357 -2.301 27 H GLY 7 H GLY 7 -2.323 -21.172 -1.492 28 HA2 GLY 7 1HA GLY 7 -1.133 -19.052 -0.799 29 HA3 GLY 7 2HA GLY 7 -0.650 -18.950 -2.486 30 H SER 8 H SER 8 -2.865 -17.919 -0.237 31 HA SER 8 HA SER 8 -4.540 -16.773 -2.323 32 HB2 SER 8 1HB SER 8 -6.628 -17.492 -1.316 33 HB3 SER 8 2HB SER 8 -5.646 -18.912 -1.677 34 HG SER 8 HG SER 8 -5.330 -17.794 0.844 35 H GLY 9 H GLY 9 -5.420 -14.809 -1.780 36 HA2 GLY 9 1HA GLY 9 -6.222 -13.346 0.060 37 HA3 GLY 9 2HA GLY 9 -4.769 -13.819 0.928 38 H GLU 10 H GLU 10 -5.698 -12.401 -2.210 39 HA GLU 10 HA GLU 10 -3.254 -10.794 -2.155 40 HB2 GLU 10 1HB GLU 10 -5.276 -11.348 -4.325 41 HB3 GLU 10 2HB GLU 10 -3.969 -10.186 -4.505 42 HG2 GLU 10 1HG GLU 10 -3.355 -12.993 -3.707 43 HG3 GLU 10 2HG GLU 10 -3.693 -12.608 -5.394 44 H LYS 11 H LYS 11 -3.260 -8.553 -2.273 45 HA LYS 11 HA LYS 11 -5.856 -7.248 -1.784 46 HB2 LYS 11 1HB LYS 11 -3.256 -6.972 -0.330 47 HB3 LYS 11 2HB LYS 11 -4.327 -5.581 -0.440 48 HG2 LYS 11 1HG LYS 11 -6.083 -6.766 0.677 49 HG3 LYS 11 2HG LYS 11 -5.153 -8.266 0.641 50 HD2 LYS 11 1HD LYS 11 -3.381 -6.759 1.913 51 HD3 LYS 11 2HD LYS 11 -4.833 -5.864 2.365 52 HE2 LYS 11 1HE LYS 11 -4.722 -8.841 2.664 53 HE3 LYS 11 2HE LYS 11 -4.001 -7.793 3.885 54 HZ1 LYS 11 3HZ LYS 11 -6.182 -8.212 4.597 55 HZ2 LYS 11 1HZ LYS 11 -6.840 -7.942 3.061 56 HZ3 LYS 11 2HZ LYS 11 -6.228 -6.646 3.959 57 HA PRO 12 HA PRO 12 -4.905 -4.405 -4.988 58 HB2 PRO 12 1HB PRO 12 -5.947 -2.092 -4.022 59 HB3 PRO 12 2HB PRO 12 -6.948 -3.432 -4.592 60 HG2 PRO 12 1HG PRO 12 -6.198 -2.687 -1.792 61 HG3 PRO 12 2HG PRO 12 -7.769 -3.205 -2.428 62 HD2 PRO 12 1HD PRO 12 -6.111 -4.883 -1.100 63 HD3 PRO 12 2HD PRO 12 -7.187 -5.435 -2.399 64 H TYR 13 H TYR 13 -3.350 -4.291 -2.057 65 HA TYR 13 HA TYR 13 -1.487 -2.243 -3.043 66 HB2 TYR 13 1HB TYR 13 -2.449 -2.526 -0.188 67 HB3 TYR 13 2HB TYR 13 -1.173 -1.439 -0.724 68 HD1 TYR 13 HD2 TYR 13 -1.780 0.386 -2.394 69 HD2 TYR 13 HD1 TYR 13 -4.699 -1.865 -0.269 70 HE1 TYR 13 HE2 TYR 13 -3.453 2.128 -2.858 71 HE2 TYR 13 HE1 TYR 13 -6.381 -0.130 -0.729 72 HH TYR 13 HH TYR 13 -6.402 2.317 -1.265 73 H LYS 14 H LYS 14 0.072 -3.659 -3.689 74 HA LYS 14 HA LYS 14 1.353 -5.226 -1.555 75 HB2 LYS 14 1HB LYS 14 0.171 -6.834 -2.891 76 HB3 LYS 14 2HB LYS 14 0.773 -6.119 -4.381 77 HG2 LYS 14 1HG LYS 14 2.990 -6.883 -3.935 78 HG3 LYS 14 2HG LYS 14 2.535 -7.414 -2.314 79 HD2 LYS 14 1HD LYS 14 0.871 -8.963 -3.463 80 HD3 LYS 14 2HD LYS 14 1.723 -8.588 -4.963 81 HE2 LYS 14 1HE LYS 14 3.614 -9.712 -4.329 82 HE3 LYS 14 2HE LYS 14 3.325 -9.449 -2.610 83 HZ1 LYS 14 3HZ LYS 14 1.574 -11.096 -2.675 84 HZ2 LYS 14 1HZ LYS 14 3.018 -11.769 -3.245 85 HZ3 LYS 14 2HZ LYS 14 1.802 -11.327 -4.335 86 H CYS 15 H CYS 15 3.514 -5.018 -1.422 87 HA CYS 15 HA CYS 15 4.817 -2.984 -2.913 88 HB2 CYS 15 1HB CYS 15 5.421 -3.519 -0.587 89 HB3 CYS 15 2HB CYS 15 6.002 -5.099 -1.102 90 H ASN 16 H ASN 16 5.371 -3.199 -4.976 91 HA ASN 16 HA ASN 16 5.975 -5.796 -6.104 92 HB2 ASN 16 1HB ASN 16 4.667 -3.827 -7.213 93 HB3 ASN 16 2HB ASN 16 6.270 -3.207 -7.595 94 HD21 ASN 16 1HD2 ASN 16 4.272 -4.034 -9.447 95 HD22 ASN 16 2HD2 ASN 16 4.920 -5.359 -10.347 96 H GLU 17 H GLU 17 7.792 -4.720 -4.098 97 HA GLU 17 HA GLU 17 10.231 -4.477 -5.734 98 HB2 GLU 17 1HB GLU 17 9.421 -2.561 -4.095 99 HB3 GLU 17 2HB GLU 17 10.188 -3.582 -2.888 100 HG2 GLU 17 1HG GLU 17 11.720 -2.934 -5.345 101 HG3 GLU 17 2HG GLU 17 11.501 -1.669 -4.137 102 H CYS 18 H CYS 18 8.775 -5.893 -2.854 103 HA CYS 18 HA CYS 18 10.904 -7.928 -2.870 104 HB2 CYS 18 1HB CYS 18 10.821 -8.033 -0.439 105 HB3 CYS 18 2HB CYS 18 11.194 -6.392 -0.955 106 H GLY 19 H GLY 19 7.559 -7.157 -1.991 107 HA2 GLY 19 1HA GLY 19 5.905 -8.784 -2.915 108 HA3 GLY 19 2HA GLY 19 6.936 -10.036 -2.238 109 H LYS 20 H LYS 20 6.018 -6.968 -0.742 110 HA LYS 20 HA LYS 20 4.923 -8.479 1.515 111 HB2 LYS 20 1HB LYS 20 6.687 -6.509 1.612 112 HB3 LYS 20 2HB LYS 20 5.241 -5.509 1.563 113 HG2 LYS 20 1HG LYS 20 4.562 -6.140 3.641 114 HG3 LYS 20 2HG LYS 20 5.315 -7.733 3.525 115 HD2 LYS 20 1HD LYS 20 7.109 -5.369 3.551 116 HD3 LYS 20 2HD LYS 20 6.301 -5.793 5.062 117 HE2 LYS 20 1HE LYS 20 8.151 -7.092 5.288 118 HE3 LYS 20 2HE LYS 20 7.149 -8.218 4.374 119 HZ1 LYS 20 3HZ LYS 20 8.233 -7.312 2.333 120 HZ2 LYS 20 1HZ LYS 20 9.270 -8.169 3.358 121 HZ3 LYS 20 2HZ LYS 20 9.313 -6.479 3.334 122 H VAL 21 H VAL 21 2.911 -7.869 2.480 123 HA VAL 21 HA VAL 21 1.072 -6.494 0.631 124 HB VAL 21 HB VAL 21 0.458 -8.903 2.349 125 HG11 VAL 21 1HG1 VAL 21 -1.751 -8.812 1.163 126 HG12 VAL 21 2HG1 VAL 21 -1.471 -7.504 2.314 127 HG13 VAL 21 3HG1 VAL 21 -1.299 -7.209 0.584 128 HG21 VAL 21 3HG2 VAL 21 1.679 -9.612 0.439 129 HG22 VAL 21 1HG2 VAL 21 -0.020 -9.947 0.107 130 HG23 VAL 21 2HG2 VAL 21 0.762 -8.547 -0.626 131 H PHE 22 H PHE 22 -0.472 -5.155 1.520 132 HA PHE 22 HA PHE 22 -0.530 -4.862 4.432 133 HB2 PHE 22 1HB PHE 22 -0.238 -2.478 2.602 134 HB3 PHE 22 2HB PHE 22 -0.185 -2.494 4.362 135 HD1 PHE 22 HD1 PHE 22 1.627 -3.495 1.308 136 HD2 PHE 22 HD2 PHE 22 1.820 -2.934 5.523 137 HE1 PHE 22 HE1 PHE 22 4.074 -3.744 1.226 138 HE2 PHE 22 HE2 PHE 22 4.267 -3.181 5.447 139 HZ PHE 22 HZ PHE 22 5.397 -3.585 3.297 140 H THR 23 H THR 23 -2.255 -3.075 4.975 141 HA THR 23 HA THR 23 -4.681 -3.879 3.560 142 HB THR 23 HB THR 23 -4.415 -2.317 6.136 143 HG1 THR 23 HG1 THR 23 -3.644 -4.432 6.404 144 HG21 THR 23 3HG2 THR 23 -6.845 -3.849 5.334 145 HG22 THR 23 1HG2 THR 23 -6.569 -2.262 4.619 146 HG23 THR 23 2HG2 THR 23 -6.701 -2.430 6.370 147 H GLN 24 H GLN 24 -3.375 -0.845 4.919 148 HA GLN 24 HA GLN 24 -4.876 0.630 2.873 149 HB2 GLN 24 1HB GLN 24 -3.675 1.494 5.503 150 HB3 GLN 24 2HB GLN 24 -4.341 2.625 4.332 151 HG2 GLN 24 1HG GLN 24 -5.925 0.354 5.495 152 HG3 GLN 24 2HG GLN 24 -5.858 1.957 6.224 153 HE21 GLN 24 1HE2 GLN 24 -7.169 3.499 5.478 154 HE22 GLN 24 2HE2 GLN 24 -8.193 3.349 4.095 155 H ASN 25 H ASN 25 -3.887 2.003 1.449 156 HA ASN 25 HA ASN 25 -1.454 1.483 0.396 157 HB2 ASN 25 1HB ASN 25 -2.997 2.984 -0.707 158 HB3 ASN 25 2HB ASN 25 -2.813 4.179 0.574 159 HD21 ASN 25 1HD2 ASN 25 -1.114 2.503 -2.008 160 HD22 ASN 25 2HD2 ASN 25 0.054 3.744 -2.293 161 H SER 26 H SER 26 -2.058 4.032 2.813 162 HA SER 26 HA SER 26 0.368 5.123 3.184 163 HB2 SER 26 1HB SER 26 -1.493 4.198 5.386 164 HB3 SER 26 2HB SER 26 -0.173 5.348 5.603 165 HG SER 26 HG SER 26 -1.755 6.700 5.161 166 H HIS 27 H HIS 27 -0.641 2.011 4.571 167 HA HIS 27 HA HIS 27 1.710 1.424 5.955 168 HB2 HIS 27 1HB HIS 27 -0.208 -0.499 4.621 169 HB3 HIS 27 2HB HIS 27 0.979 -0.928 5.849 170 HD1 HIS 27 HD1 HIS 27 -1.169 -1.786 7.198 171 HD2 HIS 27 HD2 HIS 27 -0.869 2.324 6.667 172 HE1 HIS 27 HE1 HIS 27 -2.754 -0.775 8.868 173 H LEU 28 H LEU 28 0.786 0.683 2.613 174 HA LEU 28 HA LEU 28 3.162 -0.743 1.991 175 HB2 LEU 28 1HB LEU 28 1.277 -1.158 0.640 176 HB3 LEU 28 2HB LEU 28 1.030 0.558 0.323 177 HG LEU 28 HG LEU 28 3.132 0.541 -1.021 178 HD11 LEU 28 1HD1 LEU 28 3.268 -2.137 0.061 179 HD12 LEU 28 2HD1 LEU 28 4.508 -1.181 -0.750 180 HD13 LEU 28 3HD1 LEU 28 3.371 -2.136 -1.700 181 HD21 LEU 28 3HD2 LEU 28 1.337 0.489 -2.421 182 HD22 LEU 28 1HD2 LEU 28 0.675 -0.979 -1.700 183 HD23 LEU 28 2HD2 LEU 28 2.040 -1.082 -2.812 184 H THR 29 H THR 29 2.098 2.404 0.692 185 HA THR 29 HA THR 29 4.385 3.268 -0.468 186 HB THR 29 HB THR 29 2.372 4.611 -0.547 187 HG1 THR 29 HG1 THR 29 3.474 6.695 0.250 188 HG21 THR 29 3HG2 THR 29 1.306 4.528 1.489 189 HG22 THR 29 1HG2 THR 29 2.037 6.130 1.579 190 HG23 THR 29 2HG2 THR 29 2.796 4.767 2.402 191 H ASN 30 H ASN 30 3.752 3.065 2.961 192 HA ASN 30 HA ASN 30 6.010 4.625 3.768 193 HB2 ASN 30 1HB ASN 30 3.979 2.924 5.127 194 HB3 ASN 30 2HB ASN 30 5.490 3.221 5.982 195 HD21 ASN 30 1HD2 ASN 30 6.045 5.354 6.535 196 HD22 ASN 30 2HD2 ASN 30 4.846 6.594 6.635 197 H HIS 31 H HIS 31 5.339 1.151 3.519 198 HA HIS 31 HA HIS 31 7.637 0.104 4.603 199 HB2 HIS 31 1HB HIS 31 5.943 -1.413 3.946 200 HB3 HIS 31 2HB HIS 31 5.950 -0.826 2.286 201 HD1 HIS 31 HD1 HIS 31 7.974 -2.940 4.659 202 HD2 HIS 31 HD2 HIS 31 7.744 -2.071 0.603 203 HE1 HIS 31 HE1 HIS 31 9.499 -4.591 3.530 204 H TRP 32 H TRP 32 7.139 1.025 1.197 205 HA TRP 32 HA TRP 32 9.459 0.396 0.015 206 HB2 TRP 32 1HB TRP 32 7.753 2.841 -0.202 207 HB3 TRP 32 2HB TRP 32 9.282 2.797 -1.076 208 HD1 TRP 32 HD1 TRP 32 6.101 0.587 -0.756 209 HE1 TRP 32 HE1 TRP 32 5.640 -0.464 -3.060 210 HE3 TRP 32 HE3 TRP 32 10.146 2.403 -3.302 211 HZ2 TRP 32 HZ2 TRP 32 6.833 -0.517 -5.618 212 HZ3 TRP 32 HZ3 TRP 32 10.412 1.804 -5.674 213 HH2 TRP 32 HH2 TRP 32 8.790 0.374 -6.806 214 H ARG 33 H ARG 33 9.068 2.807 2.506 215 HA ARG 33 HA ARG 33 11.275 4.373 2.327 216 HB2 ARG 33 1HB ARG 33 9.936 3.130 4.709 217 HB3 ARG 33 2HB ARG 33 11.357 4.145 4.917 218 HG2 ARG 33 1HG ARG 33 10.229 6.015 3.901 219 HG3 ARG 33 2HG ARG 33 8.828 5.007 3.531 220 HD2 ARG 33 1HD ARG 33 9.843 5.820 6.248 221 HD3 ARG 33 2HD ARG 33 8.325 6.292 5.484 222 HE ARG 33 HE ARG 33 7.422 4.242 6.051 223 HH11 ARG 33 1HH1 ARG 33 10.835 4.292 6.733 224 HH12 ARG 33 2HH1 ARG 33 10.804 2.826 7.657 225 HH21 ARG 33 1HH2 ARG 33 7.368 2.312 7.265 226 HH22 ARG 33 2HH2 ARG 33 8.832 1.700 7.958 227 H ILE 34 H ILE 34 11.195 1.116 3.754 228 HA ILE 34 HA ILE 34 13.936 0.993 4.391 229 HB ILE 34 HB ILE 34 13.638 -1.411 4.602 230 HG12 ILE 34 1HG1 ILE 34 10.791 -1.234 3.719 231 HG13 ILE 34 2HG1 ILE 34 12.041 -1.353 2.486 232 HG21 ILE 34 1HG2 ILE 34 11.051 -0.656 5.695 233 HG22 ILE 34 2HG2 ILE 34 12.525 -1.159 6.519 234 HG23 ILE 34 3HG2 ILE 34 12.313 0.525 6.041 235 HD11 ILE 34 3HD1 ILE 34 12.762 -3.334 4.211 236 HD12 ILE 34 1HD1 ILE 34 11.002 -3.375 4.311 237 HD13 ILE 34 2HD1 ILE 34 11.801 -3.551 2.749 238 H HIS 35 H HIS 35 12.200 0.499 1.428 239 HA HIS 35 HA HIS 35 14.333 -0.906 0.100 240 HB2 HIS 35 1HB HIS 35 11.702 0.252 -0.772 241 HB3 HIS 35 2HB HIS 35 12.878 -0.288 -1.966 242 HD1 HIS 35 HD1 HIS 35 13.860 -2.861 -0.597 243 HD2 HIS 35 HD2 HIS 35 9.867 -1.754 -0.894 244 HE1 HIS 35 HE1 HIS 35 12.553 -4.999 -0.390 245 H THR 36 H THR 36 13.175 2.409 0.297 246 HA THR 36 HA THR 36 14.950 3.393 -1.732 247 HB THR 36 HB THR 36 14.252 5.641 -0.950 248 HG1 THR 36 HG1 THR 36 12.381 5.425 0.650 249 HG21 THR 36 3HG2 THR 36 12.458 5.433 -2.259 250 HG22 THR 36 1HG2 THR 36 11.619 4.466 -1.046 251 HG23 THR 36 2HG2 THR 36 12.694 3.686 -2.207 252 H GLY 37 H GLY 37 14.914 3.376 1.812 253 HA2 GLY 37 1HA GLY 37 16.586 3.725 3.344 254 HA3 GLY 37 2HA GLY 37 17.704 3.286 2.062 255 H GLU 38 H GLU 38 18.957 4.944 3.386 256 HA GLU 38 HA GLU 38 18.245 7.701 2.756 257 HB2 GLU 38 1HB GLU 38 19.065 6.975 5.043 258 HB3 GLU 38 2HB GLU 38 20.644 6.736 4.310 259 HG2 GLU 38 1HG GLU 38 20.956 9.003 3.931 260 HG3 GLU 38 2HG GLU 38 19.235 9.360 4.065 261 H LYS 39 H LYS 39 18.631 7.855 0.559 262 HA LYS 39 HA LYS 39 21.471 7.833 -0.193 263 HB2 LYS 39 1HB LYS 39 20.085 5.808 -1.034 264 HB3 LYS 39 2HB LYS 39 19.351 6.964 -2.138 265 HG2 LYS 39 1HG LYS 39 21.079 5.971 -3.358 266 HG3 LYS 39 2HG LYS 39 21.718 7.541 -2.863 267 HD2 LYS 39 1HD LYS 39 22.774 6.357 -0.899 268 HD3 LYS 39 2HD LYS 39 22.323 4.838 -1.677 269 HE2 LYS 39 1HE LYS 39 23.553 5.781 -3.734 270 HE3 LYS 39 2HE LYS 39 24.265 6.929 -2.602 271 HZ1 LYS 39 3HZ LYS 39 25.796 5.307 -2.412 272 HZ2 LYS 39 1HZ LYS 39 24.740 4.076 -2.896 273 HZ3 LYS 39 2HZ LYS 39 24.693 4.655 -1.308 274 HA PRO 40 HA PRO 40 19.103 11.755 -1.312 275 HB2 PRO 40 1HB PRO 40 20.560 13.444 0.236 276 HB3 PRO 40 2HB PRO 40 19.113 12.613 0.820 277 HG2 PRO 40 1HG PRO 40 21.995 11.912 1.230 278 HG3 PRO 40 2HG PRO 40 20.660 11.889 2.397 279 HD2 PRO 40 1HD PRO 40 21.576 9.647 1.186 280 HD3 PRO 40 2HD PRO 40 19.875 9.855 1.649 281 H SER 41 H SER 41 19.923 11.835 -3.368 282 HA SER 41 HA SER 41 22.494 11.760 -4.258 283 HB2 SER 41 1HB SER 41 20.530 11.858 -5.746 284 HB3 SER 41 2HB SER 41 20.316 13.562 -5.346 285 HG SER 41 HG SER 41 22.733 13.514 -6.099 286 H GLY 42 H GLY 42 24.159 13.217 -4.636 287 HA2 GLY 42 1HA GLY 42 23.865 15.953 -3.651 288 HA3 GLY 42 2HA GLY 42 25.041 14.934 -2.834 289 HA PRO 43 HA PRO 43 26.525 15.720 -7.404 290 HB2 PRO 43 1HB PRO 43 25.507 17.970 -8.530 291 HB3 PRO 43 2HB PRO 43 24.762 16.379 -8.722 292 HG2 PRO 43 1HG PRO 43 24.027 18.601 -6.856 293 HG3 PRO 43 2HG PRO 43 22.970 17.559 -7.826 294 HD2 PRO 43 1HD PRO 43 23.391 17.149 -5.183 295 HD3 PRO 43 2HD PRO 43 23.092 15.819 -6.320 296 H SER 44 H SER 44 28.358 16.201 -6.111 297 HA SER 44 HA SER 44 28.791 18.915 -5.207 298 HB2 SER 44 1HB SER 44 29.613 16.652 -4.130 299 HB3 SER 44 2HB SER 44 30.964 16.855 -5.246 300 HG SER 44 HG SER 44 31.545 17.897 -3.399 301 H SER 45 H SER 45 29.574 20.469 -6.449 302 HA SER 45 HA SER 45 30.956 19.755 -8.930 303 HB2 SER 45 1HB SER 45 29.034 21.278 -9.119 304 HB3 SER 45 2HB SER 45 29.821 22.414 -8.024 305 HG SER 45 HG SER 45 30.871 21.566 -10.522 306 H GLY 46 H GLY 46 32.985 19.233 -8.025 307 HA2 GLY 46 1HA GLY 46 35.169 19.720 -7.501 308 HA3 GLY 46 2HA GLY 46 34.801 21.398 -7.872 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -8.647 -33.459 -1.232 2 HA2 GLY 1 1HA GLY 1 -8.415 -31.131 -0.447 3 HA3 GLY 1 2HA GLY 1 -6.915 -32.014 -0.204 4 H SER 2 H SER 2 -5.197 -30.877 -0.768 5 HA SER 2 HA SER 2 -3.853 -29.345 -1.786 6 HB2 SER 2 1HB SER 2 -5.462 -30.160 -4.219 7 HB3 SER 2 2HB SER 2 -3.903 -29.336 -4.247 8 HG SER 2 HG SER 2 -4.507 -31.976 -3.479 9 H SER 3 H SER 3 -6.029 -28.217 -0.483 10 HA SER 3 HA SER 3 -6.766 -25.987 -2.263 11 HB2 SER 3 1HB SER 3 -8.688 -27.331 -1.432 12 HB3 SER 3 2HB SER 3 -8.223 -26.925 0.220 13 HG SER 3 HG SER 3 -8.349 -24.635 -0.804 14 H GLY 4 H GLY 4 -6.242 -23.948 -1.688 15 HA2 GLY 4 1HA GLY 4 -4.723 -23.641 0.818 16 HA3 GLY 4 2HA GLY 4 -4.527 -22.640 -0.613 17 H SER 5 H SER 5 -5.142 -20.637 -0.167 18 HA SER 5 HA SER 5 -7.654 -20.257 1.328 19 HB2 SER 5 1HB SER 5 -5.202 -18.480 1.409 20 HB3 SER 5 2HB SER 5 -6.710 -18.203 2.281 21 HG SER 5 HG SER 5 -5.486 -20.669 2.655 22 H SER 6 H SER 6 -7.664 -20.520 -1.415 23 HA SER 6 HA SER 6 -7.409 -18.112 -2.849 24 HB2 SER 6 1HB SER 6 -7.541 -20.282 -3.972 25 HB3 SER 6 2HB SER 6 -9.195 -20.495 -3.400 26 HG SER 6 HG SER 6 -9.608 -19.607 -5.281 27 H GLY 7 H GLY 7 -8.859 -16.511 -3.381 28 HA2 GLY 7 1HA GLY 7 -11.617 -16.558 -2.800 29 HA3 GLY 7 2HA GLY 7 -10.770 -15.771 -1.476 30 H SER 8 H SER 8 -10.186 -13.685 -1.678 31 HA SER 8 HA SER 8 -11.024 -12.309 -4.103 32 HB2 SER 8 1HB SER 8 -10.907 -10.288 -2.825 33 HB3 SER 8 2HB SER 8 -11.650 -11.505 -1.787 34 HG SER 8 HG SER 8 -9.197 -11.789 -1.229 35 H GLY 9 H GLY 9 -8.792 -13.885 -4.527 36 HA2 GLY 9 1HA GLY 9 -6.561 -13.845 -5.145 37 HA3 GLY 9 2HA GLY 9 -7.066 -12.360 -5.938 38 H GLU 10 H GLU 10 -5.530 -10.894 -5.595 39 HA GLU 10 HA GLU 10 -4.321 -10.720 -2.922 40 HB2 GLU 10 1HB GLU 10 -2.482 -9.536 -3.969 41 HB3 GLU 10 2HB GLU 10 -2.767 -11.052 -4.812 42 HG2 GLU 10 1HG GLU 10 -3.697 -9.985 -6.666 43 HG3 GLU 10 2HG GLU 10 -3.961 -8.483 -5.782 44 H LYS 11 H LYS 11 -3.865 -8.563 -2.073 45 HA LYS 11 HA LYS 11 -6.176 -6.889 -2.233 46 HB2 LYS 11 1HB LYS 11 -3.652 -6.922 -0.659 47 HB3 LYS 11 2HB LYS 11 -4.498 -5.386 -0.792 48 HG2 LYS 11 1HG LYS 11 -5.475 -6.182 1.093 49 HG3 LYS 11 2HG LYS 11 -6.568 -6.883 -0.104 50 HD2 LYS 11 1HD LYS 11 -4.925 -8.895 -0.042 51 HD3 LYS 11 2HD LYS 11 -4.411 -8.203 1.498 52 HE2 LYS 11 1HE LYS 11 -6.904 -8.178 2.095 53 HE3 LYS 11 2HE LYS 11 -7.112 -9.258 0.718 54 HZ1 LYS 11 3HZ LYS 11 -5.104 -9.885 2.775 55 HZ2 LYS 11 1HZ LYS 11 -5.937 -10.932 1.739 56 HZ3 LYS 11 2HZ LYS 11 -6.733 -10.239 3.061 57 HA PRO 12 HA PRO 12 -4.993 -3.883 -5.202 58 HB2 PRO 12 1HB PRO 12 -5.823 -1.562 -4.065 59 HB3 PRO 12 2HB PRO 12 -6.941 -2.765 -4.716 60 HG2 PRO 12 1HG PRO 12 -6.114 -2.288 -1.879 61 HG3 PRO 12 2HG PRO 12 -7.728 -2.620 -2.533 62 HD2 PRO 12 1HD PRO 12 -6.218 -4.527 -1.344 63 HD3 PRO 12 2HD PRO 12 -7.345 -4.889 -2.667 64 H TYR 13 H TYR 13 -3.369 -4.181 -2.355 65 HA TYR 13 HA TYR 13 -1.365 -2.202 -3.186 66 HB2 TYR 13 1HB TYR 13 -2.196 -2.674 -0.316 67 HB3 TYR 13 2HB TYR 13 -0.967 -1.545 -0.876 68 HD1 TYR 13 HD2 TYR 13 -1.731 0.362 -2.414 69 HD2 TYR 13 HD1 TYR 13 -4.422 -1.992 -0.106 70 HE1 TYR 13 HE2 TYR 13 -3.435 2.124 -2.614 71 HE2 TYR 13 HE1 TYR 13 -6.134 -0.237 -0.301 72 HH TYR 13 HH TYR 13 -6.394 1.859 -2.348 73 H LYS 14 H LYS 14 0.294 -3.424 -3.809 74 HA LYS 14 HA LYS 14 1.392 -5.349 -1.906 75 HB2 LYS 14 1HB LYS 14 0.096 -6.782 -3.315 76 HB3 LYS 14 2HB LYS 14 0.675 -5.979 -4.769 77 HG2 LYS 14 1HG LYS 14 1.979 -7.834 -4.827 78 HG3 LYS 14 2HG LYS 14 3.017 -6.792 -3.851 79 HD2 LYS 14 1HD LYS 14 2.159 -7.812 -1.816 80 HD3 LYS 14 2HD LYS 14 1.058 -8.815 -2.763 81 HE2 LYS 14 1HE LYS 14 3.109 -9.739 -3.920 82 HE3 LYS 14 2HE LYS 14 4.065 -8.922 -2.685 83 HZ1 LYS 14 3HZ LYS 14 3.784 -11.066 -1.873 84 HZ2 LYS 14 1HZ LYS 14 2.165 -11.158 -2.357 85 HZ3 LYS 14 2HZ LYS 14 2.601 -10.185 -1.045 86 H CYS 15 H CYS 15 3.554 -5.245 -1.772 87 HA CYS 15 HA CYS 15 4.953 -3.257 -3.284 88 HB2 CYS 15 1HB CYS 15 5.454 -3.708 -0.907 89 HB3 CYS 15 2HB CYS 15 6.028 -5.314 -1.344 90 H ASN 16 H ASN 16 6.774 -3.582 -4.638 91 HA ASN 16 HA ASN 16 6.722 -6.170 -6.034 92 HB2 ASN 16 1HB ASN 16 6.128 -4.098 -7.336 93 HB3 ASN 16 2HB ASN 16 7.780 -3.542 -7.088 94 HD21 ASN 16 1HD2 ASN 16 8.978 -3.838 -8.807 95 HD22 ASN 16 2HD2 ASN 16 8.901 -5.180 -9.891 96 H GLU 17 H GLU 17 8.792 -3.802 -4.494 97 HA GLU 17 HA GLU 17 11.299 -4.667 -5.267 98 HB2 GLU 17 1HB GLU 17 10.294 -3.497 -2.683 99 HB3 GLU 17 2HB GLU 17 11.990 -3.903 -2.905 100 HG2 GLU 17 1HG GLU 17 10.390 -1.959 -4.552 101 HG3 GLU 17 2HG GLU 17 11.614 -1.559 -3.348 102 H CYS 18 H CYS 18 9.350 -5.825 -2.524 103 HA CYS 18 HA CYS 18 11.022 -8.252 -2.485 104 HB2 CYS 18 1HB CYS 18 10.533 -8.424 -0.070 105 HB3 CYS 18 2HB CYS 18 11.394 -6.940 -0.466 106 H GLY 19 H GLY 19 7.780 -6.943 -1.868 107 HA2 GLY 19 1HA GLY 19 5.881 -8.051 -2.907 108 HA3 GLY 19 2HA GLY 19 6.694 -9.582 -2.621 109 H LYS 20 H LYS 20 5.009 -6.903 -1.083 110 HA LYS 20 HA LYS 20 4.132 -8.743 1.017 111 HB2 LYS 20 1HB LYS 20 6.131 -7.278 1.739 112 HB3 LYS 20 2HB LYS 20 4.983 -5.946 1.725 113 HG2 LYS 20 1HG LYS 20 3.594 -7.137 3.356 114 HG3 LYS 20 2HG LYS 20 4.772 -8.451 3.384 115 HD2 LYS 20 1HD LYS 20 6.344 -7.196 4.508 116 HD3 LYS 20 2HD LYS 20 5.689 -5.663 3.928 117 HE2 LYS 20 1HE LYS 20 5.200 -5.855 6.265 118 HE3 LYS 20 2HE LYS 20 3.695 -6.047 5.368 119 HZ1 LYS 20 3HZ LYS 20 4.696 -8.586 5.623 120 HZ2 LYS 20 1HZ LYS 20 3.415 -7.916 6.503 121 HZ3 LYS 20 2HZ LYS 20 4.986 -7.873 7.130 122 H VAL 21 H VAL 21 2.114 -8.265 1.906 123 HA VAL 21 HA VAL 21 0.569 -6.259 0.401 124 HB VAL 21 HB VAL 21 -0.472 -8.700 1.845 125 HG11 VAL 21 1HG1 VAL 21 -1.785 -6.583 0.165 126 HG12 VAL 21 2HG1 VAL 21 -2.520 -8.165 0.434 127 HG13 VAL 21 3HG1 VAL 21 -2.194 -7.099 1.801 128 HG21 VAL 21 3HG2 VAL 21 -0.994 -9.278 -0.677 129 HG22 VAL 21 1HG2 VAL 21 0.404 -8.241 -0.961 130 HG23 VAL 21 2HG2 VAL 21 0.562 -9.676 0.051 131 H PHE 22 H PHE 22 -0.771 -4.834 1.468 132 HA PHE 22 HA PHE 22 -0.667 -4.857 4.407 133 HB2 PHE 22 1HB PHE 22 -0.385 -2.390 2.679 134 HB3 PHE 22 2HB PHE 22 -0.352 -2.443 4.439 135 HD1 PHE 22 HD1 PHE 22 1.438 -3.662 1.424 136 HD2 PHE 22 HD2 PHE 22 1.657 -2.730 5.571 137 HE1 PHE 22 HE1 PHE 22 3.877 -3.976 1.362 138 HE2 PHE 22 HE2 PHE 22 4.097 -3.042 5.515 139 HZ PHE 22 HZ PHE 22 5.210 -3.665 3.409 140 H THR 23 H THR 23 -2.399 -3.662 5.444 141 HA THR 23 HA THR 23 -4.918 -4.169 4.213 142 HB THR 23 HB THR 23 -5.868 -3.038 6.240 143 HG1 THR 23 HG1 THR 23 -4.472 -1.665 7.087 144 HG21 THR 23 3HG2 THR 23 -4.096 -5.391 6.233 145 HG22 THR 23 1HG2 THR 23 -5.774 -5.237 6.752 146 HG23 THR 23 2HG2 THR 23 -4.469 -4.733 7.826 147 H GLN 24 H GLN 24 -3.156 -1.197 5.044 148 HA GLN 24 HA GLN 24 -5.049 0.307 3.365 149 HB2 GLN 24 1HB GLN 24 -3.257 1.263 5.603 150 HB3 GLN 24 2HB GLN 24 -4.249 2.315 4.601 151 HG2 GLN 24 1HG GLN 24 -5.334 0.095 6.317 152 HG3 GLN 24 2HG GLN 24 -5.232 1.783 6.815 153 HE21 GLN 24 1HE2 GLN 24 -7.463 -0.221 6.164 154 HE22 GLN 24 2HE2 GLN 24 -8.530 0.686 5.153 155 H ASN 25 H ASN 25 -3.995 2.311 2.353 156 HA ASN 25 HA ASN 25 -1.856 1.400 0.680 157 HB2 ASN 25 1HB ASN 25 -3.600 2.792 -0.270 158 HB3 ASN 25 2HB ASN 25 -3.242 4.082 0.875 159 HD21 ASN 25 1HD2 ASN 25 -1.608 5.474 0.465 160 HD22 ASN 25 2HD2 ASN 25 -0.651 5.443 -0.974 161 H SER 26 H SER 26 -2.194 3.857 3.210 162 HA SER 26 HA SER 26 0.282 5.061 3.068 163 HB2 SER 26 1HB SER 26 -1.702 5.589 4.623 164 HB3 SER 26 2HB SER 26 -1.000 4.394 5.713 165 HG SER 26 HG SER 26 -0.183 6.390 6.264 166 H HIS 27 H HIS 27 -0.608 2.117 4.844 167 HA HIS 27 HA HIS 27 1.753 1.567 6.135 168 HB2 HIS 27 1HB HIS 27 -0.143 -0.378 4.805 169 HB3 HIS 27 2HB HIS 27 1.117 -0.840 5.945 170 HD1 HIS 27 HD1 HIS 27 -0.489 -1.701 7.726 171 HD2 HIS 27 HD2 HIS 27 -1.181 2.252 6.651 172 HE1 HIS 27 HE1 HIS 27 -2.106 -0.812 9.435 173 H LEU 28 H LEU 28 0.891 0.773 2.786 174 HA LEU 28 HA LEU 28 3.304 -0.576 2.181 175 HB2 LEU 28 1HB LEU 28 1.324 -0.911 0.848 176 HB3 LEU 28 2HB LEU 28 1.295 0.793 0.401 177 HG LEU 28 HG LEU 28 3.486 0.409 -0.780 178 HD11 LEU 28 1HD1 LEU 28 4.546 -1.520 -0.540 179 HD12 LEU 28 2HD1 LEU 28 3.175 -2.368 -1.254 180 HD13 LEU 28 3HD1 LEU 28 3.245 -2.118 0.490 181 HD21 LEU 28 3HD2 LEU 28 2.452 -0.451 -2.749 182 HD22 LEU 28 1HD2 LEU 28 1.241 0.494 -1.883 183 HD23 LEU 28 2HD2 LEU 28 1.203 -1.268 -1.808 184 H THR 29 H THR 29 2.191 2.676 1.222 185 HA THR 29 HA THR 29 4.387 3.634 -0.051 186 HB THR 29 HB THR 29 3.109 5.426 1.978 187 HG1 THR 29 HG1 THR 29 1.826 4.022 -0.068 188 HG21 THR 29 3HG2 THR 29 3.624 7.096 0.526 189 HG22 THR 29 1HG2 THR 29 3.333 6.097 -0.897 190 HG23 THR 29 2HG2 THR 29 4.844 5.937 -0.001 191 H ASN 30 H ASN 30 3.919 3.508 3.463 192 HA ASN 30 HA ASN 30 6.370 4.765 4.123 193 HB2 ASN 30 1HB ASN 30 4.628 2.891 5.740 194 HB3 ASN 30 2HB ASN 30 5.972 3.824 6.393 195 HD21 ASN 30 1HD2 ASN 30 3.777 4.284 7.651 196 HD22 ASN 30 2HD2 ASN 30 3.018 5.763 7.182 197 H HIS 31 H HIS 31 5.440 1.426 3.553 198 HA HIS 31 HA HIS 31 7.750 0.175 4.545 199 HB2 HIS 31 1HB HIS 31 5.869 -1.200 4.092 200 HB3 HIS 31 2HB HIS 31 5.755 -0.627 2.430 201 HD1 HIS 31 HD1 HIS 31 7.931 -2.810 4.618 202 HD2 HIS 31 HD2 HIS 31 7.173 -2.089 0.597 203 HE1 HIS 31 HE1 HIS 31 9.177 -4.601 3.368 204 H TRP 32 H TRP 32 6.922 0.812 1.131 205 HA TRP 32 HA TRP 32 9.150 0.113 -0.170 206 HB2 TRP 32 1HB TRP 32 7.303 2.420 -0.516 207 HB3 TRP 32 2HB TRP 32 8.792 2.430 -1.457 208 HD1 TRP 32 HD1 TRP 32 5.757 0.091 -0.849 209 HE1 TRP 32 HE1 TRP 32 5.319 -1.217 -3.023 210 HE3 TRP 32 HE3 TRP 32 9.691 1.800 -3.632 211 HZ2 TRP 32 HZ2 TRP 32 6.486 -1.488 -5.578 212 HZ3 TRP 32 HZ3 TRP 32 9.959 0.967 -5.931 213 HH2 TRP 32 HH2 TRP 32 8.389 -0.643 -6.882 214 H ARG 33 H ARG 33 8.898 2.789 2.053 215 HA ARG 33 HA ARG 33 11.069 4.339 1.479 216 HB2 ARG 33 1HB ARG 33 10.184 3.426 4.223 217 HB3 ARG 33 2HB ARG 33 11.241 4.795 3.904 218 HG2 ARG 33 1HG ARG 33 9.444 5.910 2.689 219 HG3 ARG 33 2HG ARG 33 8.384 4.531 2.988 220 HD2 ARG 33 1HD ARG 33 8.565 4.911 5.395 221 HD3 ARG 33 2HD ARG 33 9.639 6.278 5.102 222 HE ARG 33 HE ARG 33 7.465 6.981 3.708 223 HH11 ARG 33 1HH1 ARG 33 7.842 5.773 6.951 224 HH12 ARG 33 2HH1 ARG 33 6.455 6.611 7.564 225 HH21 ARG 33 1HH2 ARG 33 5.636 8.089 4.503 226 HH22 ARG 33 2HH2 ARG 33 5.200 7.927 6.170 227 H ILE 34 H ILE 34 11.122 1.410 3.511 228 HA ILE 34 HA ILE 34 13.834 1.330 4.054 229 HB ILE 34 HB ILE 34 13.595 -1.032 4.483 230 HG12 ILE 34 1HG1 ILE 34 10.799 -1.091 3.444 231 HG13 ILE 34 2HG1 ILE 34 12.115 -1.227 2.284 232 HG21 ILE 34 1HG2 ILE 34 12.640 -0.169 6.318 233 HG22 ILE 34 2HG2 ILE 34 11.597 0.907 5.389 234 HG23 ILE 34 3HG2 ILE 34 11.137 -0.779 5.626 235 HD11 ILE 34 3HD1 ILE 34 12.254 -3.381 2.738 236 HD12 ILE 34 1HD1 ILE 34 12.695 -2.992 4.401 237 HD13 ILE 34 2HD1 ILE 34 11.000 -3.224 3.968 238 H HIS 35 H HIS 35 12.169 0.642 1.102 239 HA HIS 35 HA HIS 35 14.424 -0.752 -0.080 240 HB2 HIS 35 1HB HIS 35 11.759 0.118 -1.214 241 HB3 HIS 35 2HB HIS 35 12.984 -0.751 -2.135 242 HD1 HIS 35 HD1 HIS 35 13.787 -2.843 -0.002 243 HD2 HIS 35 HD2 HIS 35 9.871 -1.834 -0.956 244 HE1 HIS 35 HE1 HIS 35 12.397 -4.824 0.681 245 H THR 36 H THR 36 12.877 2.405 -0.237 246 HA THR 36 HA THR 36 14.843 3.317 -2.204 247 HB THR 36 HB THR 36 13.486 5.425 -2.222 248 HG1 THR 36 HG1 THR 36 11.240 4.837 -1.262 249 HG21 THR 36 3HG2 THR 36 12.006 4.589 -3.757 250 HG22 THR 36 1HG2 THR 36 11.574 3.207 -2.752 251 HG23 THR 36 2HG2 THR 36 13.103 3.215 -3.631 252 H GLY 37 H GLY 37 16.738 3.751 -1.205 253 HA2 GLY 37 1HA GLY 37 17.039 6.089 0.312 254 HA3 GLY 37 2HA GLY 37 17.020 4.726 1.421 255 H GLU 38 H GLU 38 19.206 5.383 1.955 256 HA GLU 38 HA GLU 38 21.242 5.050 -0.079 257 HB2 GLU 38 1HB GLU 38 22.818 5.607 1.742 258 HB3 GLU 38 2HB GLU 38 21.549 6.810 1.557 259 HG2 GLU 38 1HG GLU 38 21.158 4.620 3.528 260 HG3 GLU 38 2HG GLU 38 22.271 5.929 3.921 261 H LYS 39 H LYS 39 20.132 2.727 -0.156 262 HA LYS 39 HA LYS 39 20.159 0.490 0.481 263 HB2 LYS 39 1HB LYS 39 22.526 -0.387 0.134 264 HB3 LYS 39 2HB LYS 39 21.820 0.524 -1.194 265 HG2 LYS 39 1HG LYS 39 23.953 1.383 -1.081 266 HG3 LYS 39 2HG LYS 39 23.031 2.548 -0.129 267 HD2 LYS 39 1HD LYS 39 23.929 1.833 1.865 268 HD3 LYS 39 2HD LYS 39 24.271 0.213 1.252 269 HE2 LYS 39 1HE LYS 39 26.056 1.186 -0.170 270 HE3 LYS 39 2HE LYS 39 25.755 2.752 0.583 271 HZ1 LYS 39 3HZ LYS 39 27.148 0.440 1.624 272 HZ2 LYS 39 1HZ LYS 39 26.101 1.186 2.724 273 HZ3 LYS 39 2HZ LYS 39 27.340 2.079 1.996 274 HA PRO 40 HA PRO 40 21.682 1.352 4.872 275 HB2 PRO 40 1HB PRO 40 19.249 1.286 6.074 276 HB3 PRO 40 2HB PRO 40 19.963 2.770 5.431 277 HG2 PRO 40 1HG PRO 40 17.907 0.971 4.207 278 HG3 PRO 40 2HG PRO 40 17.956 2.743 4.257 279 HD2 PRO 40 1HD PRO 40 18.691 1.327 2.070 280 HD3 PRO 40 2HD PRO 40 19.442 2.877 2.500 281 H SER 41 H SER 41 19.037 -0.739 3.738 282 HA SER 41 HA SER 41 20.347 -3.018 5.011 283 HB2 SER 41 1HB SER 41 17.593 -2.014 5.656 284 HB3 SER 41 2HB SER 41 17.942 -3.740 5.749 285 HG SER 41 HG SER 41 18.497 -1.864 7.534 286 H GLY 42 H GLY 42 20.336 -4.767 3.740 287 HA2 GLY 42 1HA GLY 42 18.175 -5.311 1.911 288 HA3 GLY 42 2HA GLY 42 19.654 -4.804 1.110 289 HA PRO 43 HA PRO 43 19.636 -9.445 1.922 290 HB2 PRO 43 1HB PRO 43 19.693 -10.217 -0.680 291 HB3 PRO 43 2HB PRO 43 18.190 -9.952 0.210 292 HG2 PRO 43 1HG PRO 43 19.606 -8.133 -1.700 293 HG3 PRO 43 2HG PRO 43 17.873 -8.485 -1.567 294 HD2 PRO 43 1HD PRO 43 18.986 -6.237 -0.546 295 HD3 PRO 43 2HD PRO 43 17.587 -7.034 0.202 296 H SER 44 H SER 44 21.323 -10.995 1.170 297 HA SER 44 HA SER 44 23.814 -9.558 0.530 298 HB2 SER 44 1HB SER 44 23.279 -11.960 2.268 299 HB3 SER 44 2HB SER 44 24.895 -11.609 1.656 300 HG SER 44 HG SER 44 23.626 -9.451 2.787 301 H SER 45 H SER 45 24.736 -10.001 -1.351 302 HA SER 45 HA SER 45 23.674 -11.903 -3.153 303 HB2 SER 45 1HB SER 45 25.409 -11.214 -4.662 304 HB3 SER 45 2HB SER 45 24.882 -9.780 -3.781 305 HG SER 45 HG SER 45 26.717 -10.370 -2.308 306 H GLY 46 H GLY 46 24.771 -13.730 -4.109 307 HA2 GLY 46 1HA GLY 46 26.505 -15.106 -2.152 308 HA3 GLY 46 2HA GLY 46 25.357 -15.924 -3.202 Start of MODEL 14 1 H1 GLY 1 H GLY 1 10.066 -30.196 -3.601 2 HA2 GLY 1 1HA GLY 1 9.792 -27.702 -3.222 3 HA3 GLY 1 2HA GLY 1 9.831 -27.595 -4.976 4 H SER 2 H SER 2 7.709 -26.581 -3.543 5 HA SER 2 HA SER 2 5.526 -27.989 -4.742 6 HB2 SER 2 1HB SER 2 5.759 -29.365 -2.737 7 HB3 SER 2 2HB SER 2 5.698 -27.927 -1.718 8 HG SER 2 HG SER 2 3.593 -28.352 -3.500 9 H SER 3 H SER 3 4.076 -26.527 -5.356 10 HA SER 3 HA SER 3 4.331 -23.798 -4.464 11 HB2 SER 3 1HB SER 3 2.592 -25.170 -6.510 12 HB3 SER 3 2HB SER 3 2.378 -23.469 -6.099 13 HG SER 3 HG SER 3 3.774 -23.563 -7.819 14 H GLY 4 H GLY 4 3.660 -23.702 -2.339 15 HA2 GLY 4 1HA GLY 4 0.760 -23.913 -1.963 16 HA3 GLY 4 2HA GLY 4 1.803 -24.794 -0.857 17 H SER 5 H SER 5 -0.054 -22.237 -0.890 18 HA SER 5 HA SER 5 1.743 -20.676 0.841 19 HB2 SER 5 1HB SER 5 1.327 -19.599 -1.419 20 HB3 SER 5 2HB SER 5 -0.362 -19.437 -0.938 21 HG SER 5 HG SER 5 1.907 -18.126 0.035 22 H SER 6 H SER 6 1.008 -20.839 2.847 23 HA SER 6 HA SER 6 -1.334 -21.823 3.773 24 HB2 SER 6 1HB SER 6 0.518 -21.235 5.255 25 HB3 SER 6 2HB SER 6 0.215 -19.519 4.984 26 HG SER 6 HG SER 6 -0.720 -20.662 6.941 27 H GLY 7 H GLY 7 -0.741 -18.342 3.246 28 HA2 GLY 7 1HA GLY 7 -3.621 -18.036 2.713 29 HA3 GLY 7 2HA GLY 7 -2.831 -16.972 3.866 30 H SER 8 H SER 8 -3.661 -17.439 0.637 31 HA SER 8 HA SER 8 -1.635 -16.134 -0.759 32 HB2 SER 8 1HB SER 8 -3.453 -15.579 -2.421 33 HB3 SER 8 2HB SER 8 -3.348 -17.284 -1.982 34 HG SER 8 HG SER 8 -5.472 -16.783 -1.827 35 H GLY 9 H GLY 9 -4.737 -14.693 0.277 36 HA2 GLY 9 1HA GLY 9 -5.201 -12.582 1.079 37 HA3 GLY 9 2HA GLY 9 -3.472 -12.328 1.267 38 H GLU 10 H GLU 10 -6.241 -11.786 -0.702 39 HA GLU 10 HA GLU 10 -4.619 -10.570 -2.817 40 HB2 GLU 10 1HB GLU 10 -7.462 -11.494 -2.639 41 HB3 GLU 10 2HB GLU 10 -7.017 -10.289 -3.840 42 HG2 GLU 10 1HG GLU 10 -6.856 -12.298 -4.984 43 HG3 GLU 10 2HG GLU 10 -5.189 -11.937 -4.539 44 H LYS 11 H LYS 11 -3.976 -8.792 -1.444 45 HA LYS 11 HA LYS 11 -6.068 -6.905 -0.687 46 HB2 LYS 11 1HB LYS 11 -3.186 -7.259 -0.028 47 HB3 LYS 11 2HB LYS 11 -3.842 -5.629 0.048 48 HG2 LYS 11 1HG LYS 11 -4.178 -6.319 2.197 49 HG3 LYS 11 2HG LYS 11 -5.717 -6.784 1.469 50 HD2 LYS 11 1HD LYS 11 -3.471 -8.745 1.465 51 HD3 LYS 11 2HD LYS 11 -4.358 -8.469 2.966 52 HE2 LYS 11 1HE LYS 11 -5.900 -8.942 0.464 53 HE3 LYS 11 2HE LYS 11 -5.110 -10.315 1.238 54 HZ1 LYS 11 3HZ LYS 11 -7.130 -8.506 2.442 55 HZ2 LYS 11 1HZ LYS 11 -6.268 -9.670 3.317 56 HZ3 LYS 11 2HZ LYS 11 -7.316 -10.147 2.078 57 HA PRO 12 HA PRO 12 -5.606 -4.320 -4.211 58 HB2 PRO 12 1HB PRO 12 -6.291 -1.924 -3.135 59 HB3 PRO 12 2HB PRO 12 -7.468 -3.201 -3.463 60 HG2 PRO 12 1HG PRO 12 -6.147 -2.461 -0.881 61 HG3 PRO 12 2HG PRO 12 -7.842 -2.880 -1.191 62 HD2 PRO 12 1HD PRO 12 -6.071 -4.646 -0.152 63 HD3 PRO 12 2HD PRO 12 -7.411 -5.144 -1.206 64 H TYR 13 H TYR 13 -3.499 -4.289 -1.660 65 HA TYR 13 HA TYR 13 -1.692 -2.471 -3.074 66 HB2 TYR 13 1HB TYR 13 -2.094 -2.376 -0.079 67 HB3 TYR 13 2HB TYR 13 -1.010 -1.365 -1.028 68 HD1 TYR 13 HD2 TYR 13 -1.975 0.326 -2.600 69 HD2 TYR 13 HD1 TYR 13 -4.388 -1.824 0.167 70 HE1 TYR 13 HE2 TYR 13 -3.761 1.994 -2.871 71 HE2 TYR 13 HE1 TYR 13 -6.182 -0.162 -0.096 72 HH TYR 13 HH TYR 13 -6.778 1.774 -1.013 73 H LYS 14 H LYS 14 0.054 -3.605 -3.560 74 HA LYS 14 HA LYS 14 1.273 -5.308 -1.521 75 HB2 LYS 14 1HB LYS 14 0.109 -6.982 -2.669 76 HB3 LYS 14 2HB LYS 14 0.345 -6.207 -4.231 77 HG2 LYS 14 1HG LYS 14 2.748 -7.155 -2.769 78 HG3 LYS 14 2HG LYS 14 1.697 -8.356 -3.522 79 HD2 LYS 14 1HD LYS 14 1.863 -6.810 -5.605 80 HD3 LYS 14 2HD LYS 14 3.295 -6.169 -4.796 81 HE2 LYS 14 1HE LYS 14 4.227 -7.842 -6.060 82 HE3 LYS 14 2HE LYS 14 3.912 -8.704 -4.555 83 HZ1 LYS 14 3HZ LYS 14 1.625 -9.123 -5.814 84 HZ2 LYS 14 1HZ LYS 14 2.957 -10.154 -5.972 85 HZ3 LYS 14 2HZ LYS 14 2.644 -8.990 -7.158 86 H CYS 15 H CYS 15 3.426 -5.094 -1.446 87 HA CYS 15 HA CYS 15 4.727 -3.192 -3.115 88 HB2 CYS 15 1HB CYS 15 5.471 -3.386 -0.852 89 HB3 CYS 15 2HB CYS 15 5.752 -5.115 -1.026 90 H ASN 16 H ASN 16 5.877 -3.457 -4.927 91 HA ASN 16 HA ASN 16 6.064 -6.143 -6.047 92 HB2 ASN 16 1HB ASN 16 5.195 -4.679 -7.644 93 HB3 ASN 16 2HB ASN 16 6.279 -3.372 -7.179 94 HD21 ASN 16 1HD2 ASN 16 6.239 -6.589 -8.635 95 HD22 ASN 16 2HD2 ASN 16 7.571 -6.316 -9.701 96 H GLU 17 H GLU 17 8.016 -3.872 -4.441 97 HA GLU 17 HA GLU 17 10.525 -4.379 -5.613 98 HB2 GLU 17 1HB GLU 17 9.788 -2.560 -3.895 99 HB3 GLU 17 2HB GLU 17 10.216 -3.769 -2.692 100 HG2 GLU 17 1HG GLU 17 12.013 -2.503 -4.740 101 HG3 GLU 17 2HG GLU 17 12.088 -2.341 -2.986 102 H CYS 18 H CYS 18 9.119 -5.703 -2.612 103 HA CYS 18 HA CYS 18 10.962 -7.986 -2.865 104 HB2 CYS 18 1HB CYS 18 10.658 -8.300 -0.436 105 HB3 CYS 18 2HB CYS 18 11.313 -6.711 -0.817 106 H GLY 19 H GLY 19 7.626 -7.019 -2.308 107 HA2 GLY 19 1HA GLY 19 5.930 -8.456 -3.367 108 HA3 GLY 19 2HA GLY 19 6.833 -9.832 -2.750 109 H LYS 20 H LYS 20 6.522 -7.075 -0.709 110 HA LYS 20 HA LYS 20 5.274 -8.542 1.351 111 HB2 LYS 20 1HB LYS 20 6.073 -5.724 0.908 112 HB3 LYS 20 2HB LYS 20 4.820 -5.993 2.113 113 HG2 LYS 20 1HG LYS 20 7.265 -7.672 2.241 114 HG3 LYS 20 2HG LYS 20 7.378 -5.984 2.745 115 HD2 LYS 20 1HD LYS 20 6.867 -7.207 4.699 116 HD3 LYS 20 2HD LYS 20 5.358 -6.433 4.211 117 HE2 LYS 20 1HE LYS 20 5.058 -8.789 4.891 118 HE3 LYS 20 2HE LYS 20 4.574 -8.489 3.223 119 HZ1 LYS 20 3HZ LYS 20 7.255 -9.527 3.929 120 HZ2 LYS 20 1HZ LYS 20 6.499 -9.529 2.416 121 HZ3 LYS 20 2HZ LYS 20 5.938 -10.548 3.642 122 H VAL 21 H VAL 21 3.283 -7.156 2.451 123 HA VAL 21 HA VAL 21 1.242 -6.482 0.526 124 HB VAL 21 HB VAL 21 0.930 -8.953 2.237 125 HG11 VAL 21 1HG1 VAL 21 -1.065 -7.541 0.469 126 HG12 VAL 21 2HG1 VAL 21 -1.309 -9.120 1.219 127 HG13 VAL 21 3HG1 VAL 21 -1.130 -7.682 2.226 128 HG21 VAL 21 3HG2 VAL 21 0.504 -10.006 -0.024 129 HG22 VAL 21 1HG2 VAL 21 1.141 -8.523 -0.734 130 HG23 VAL 21 2HG2 VAL 21 2.168 -9.518 0.299 131 H PHE 22 H PHE 22 -0.294 -5.175 1.384 132 HA PHE 22 HA PHE 22 -0.525 -4.986 4.296 133 HB2 PHE 22 1HB PHE 22 -0.222 -2.524 2.576 134 HB3 PHE 22 2HB PHE 22 -0.238 -2.616 4.334 135 HD1 PHE 22 HD1 PHE 22 1.741 -3.178 1.308 136 HD2 PHE 22 HD2 PHE 22 1.716 -3.292 5.563 137 HE1 PHE 22 HE1 PHE 22 4.196 -3.348 1.314 138 HE2 PHE 22 HE2 PHE 22 4.171 -3.461 5.576 139 HZ PHE 22 HZ PHE 22 5.414 -3.488 3.450 140 H THR 23 H THR 23 -2.337 -3.285 4.804 141 HA THR 23 HA THR 23 -4.635 -4.051 3.154 142 HB THR 23 HB THR 23 -4.641 -2.791 5.902 143 HG1 THR 23 HG1 THR 23 -5.179 -5.509 5.275 144 HG21 THR 23 3HG2 THR 23 -6.919 -4.388 4.912 145 HG22 THR 23 1HG2 THR 23 -6.678 -2.824 4.135 146 HG23 THR 23 2HG2 THR 23 -6.903 -2.916 5.882 147 H GLN 24 H GLN 24 -3.234 -1.188 4.734 148 HA GLN 24 HA GLN 24 -4.877 0.515 2.996 149 HB2 GLN 24 1HB GLN 24 -3.300 1.218 5.477 150 HB3 GLN 24 2HB GLN 24 -4.276 2.342 4.542 151 HG2 GLN 24 1HG GLN 24 -5.238 -0.031 6.118 152 HG3 GLN 24 2HG GLN 24 -5.511 1.675 6.470 153 HE21 GLN 24 1HE2 GLN 24 -6.410 2.808 4.331 154 HE22 GLN 24 2HE2 GLN 24 -7.819 2.036 3.695 155 H ASN 25 H ASN 25 -3.927 2.261 1.853 156 HA ASN 25 HA ASN 25 -1.559 1.647 0.502 157 HB2 ASN 25 1HB ASN 25 -1.706 3.928 -0.423 158 HB3 ASN 25 2HB ASN 25 -3.267 3.113 -0.451 159 HD21 ASN 25 1HD2 ASN 25 -2.095 6.001 -0.128 160 HD22 ASN 25 2HD2 ASN 25 -3.122 6.675 1.087 161 H SER 26 H SER 26 -2.143 4.100 3.018 162 HA SER 26 HA SER 26 0.263 5.294 3.265 163 HB2 SER 26 1HB SER 26 -1.695 4.396 5.357 164 HB3 SER 26 2HB SER 26 -0.190 5.181 5.836 165 HG SER 26 HG SER 26 -2.107 6.250 4.033 166 H HIS 27 H HIS 27 -0.552 2.066 4.450 167 HA HIS 27 HA HIS 27 1.844 1.543 5.817 168 HB2 HIS 27 1HB HIS 27 -0.015 -0.394 4.422 169 HB3 HIS 27 2HB HIS 27 1.229 -0.839 5.586 170 HD1 HIS 27 HD1 HIS 27 -0.729 -1.863 7.036 171 HD2 HIS 27 HD2 HIS 27 -0.840 2.262 6.560 172 HE1 HIS 27 HE1 HIS 27 -2.329 -1.028 8.787 173 H LEU 28 H LEU 28 0.883 0.815 2.473 174 HA LEU 28 HA LEU 28 3.317 -0.422 1.742 175 HB2 LEU 28 1HB LEU 28 1.278 -0.764 0.480 176 HB3 LEU 28 2HB LEU 28 1.227 0.946 0.055 177 HG LEU 28 HG LEU 28 3.354 0.613 -1.216 178 HD11 LEU 28 1HD1 LEU 28 3.484 -1.993 -1.835 179 HD12 LEU 28 2HD1 LEU 28 2.984 -2.112 -0.148 180 HD13 LEU 28 3HD1 LEU 28 4.460 -1.244 -0.571 181 HD21 LEU 28 3HD2 LEU 28 1.873 0.567 -2.873 182 HD22 LEU 28 1HD2 LEU 28 0.691 -0.277 -1.873 183 HD23 LEU 28 2HD2 LEU 28 1.903 -1.194 -2.767 184 H THR 29 H THR 29 2.088 2.715 0.574 185 HA THR 29 HA THR 29 4.310 3.738 -0.572 186 HB THR 29 HB THR 29 2.175 4.948 -0.498 187 HG1 THR 29 HG1 THR 29 4.603 6.168 0.169 188 HG21 THR 29 3HG2 THR 29 1.438 4.696 1.734 189 HG22 THR 29 1HG2 THR 29 1.781 6.415 1.544 190 HG23 THR 29 2HG2 THR 29 2.930 5.375 2.385 191 H ASN 30 H ASN 30 3.839 3.178 2.809 192 HA ASN 30 HA ASN 30 6.122 4.804 3.581 193 HB2 ASN 30 1HB ASN 30 4.056 3.217 5.066 194 HB3 ASN 30 2HB ASN 30 5.550 3.680 5.876 195 HD21 ASN 30 1HD2 ASN 30 2.726 4.492 6.274 196 HD22 ASN 30 2HD2 ASN 30 2.740 6.218 6.201 197 H HIS 31 H HIS 31 5.246 1.414 3.227 198 HA HIS 31 HA HIS 31 7.439 0.220 4.453 199 HB2 HIS 31 1HB HIS 31 5.685 -1.217 3.828 200 HB3 HIS 31 2HB HIS 31 5.676 -0.629 2.168 201 HD1 HIS 31 HD1 HIS 31 7.541 -2.934 4.468 202 HD2 HIS 31 HD2 HIS 31 7.455 -1.892 0.447 203 HE1 HIS 31 HE1 HIS 31 8.964 -4.646 3.299 204 H TRP 32 H TRP 32 7.079 1.465 1.165 205 HA TRP 32 HA TRP 32 9.355 0.535 -0.041 206 HB2 TRP 32 1HB TRP 32 7.760 3.036 -0.307 207 HB3 TRP 32 2HB TRP 32 9.331 2.985 -1.101 208 HD1 TRP 32 HD1 TRP 32 6.110 0.814 -0.990 209 HE1 TRP 32 HE1 TRP 32 5.754 -0.185 -3.335 210 HE3 TRP 32 HE3 TRP 32 10.302 2.625 -3.288 211 HZ2 TRP 32 HZ2 TRP 32 7.075 -0.203 -5.829 212 HZ3 TRP 32 HZ3 TRP 32 10.682 2.070 -5.655 213 HH2 TRP 32 HH2 TRP 32 9.101 0.685 -6.897 214 H ARG 33 H ARG 33 9.135 2.681 2.620 215 HA ARG 33 HA ARG 33 11.440 4.203 2.409 216 HB2 ARG 33 1HB ARG 33 9.945 3.079 4.757 217 HB3 ARG 33 2HB ARG 33 11.439 3.975 5.001 218 HG2 ARG 33 1HG ARG 33 10.306 5.796 3.559 219 HG3 ARG 33 2HG ARG 33 8.815 4.935 3.944 220 HD2 ARG 33 1HD ARG 33 8.864 6.409 5.685 221 HD3 ARG 33 2HD ARG 33 9.782 5.083 6.397 222 HE ARG 33 HE ARG 33 11.620 6.437 6.431 223 HH11 ARG 33 1HH1 ARG 33 9.292 7.760 4.206 224 HH12 ARG 33 2HH1 ARG 33 10.190 9.216 3.929 225 HH21 ARG 33 1HH2 ARG 33 12.812 8.349 6.074 226 HH22 ARG 33 2HH2 ARG 33 12.192 9.549 4.991 227 H ILE 34 H ILE 34 11.122 1.101 4.148 228 HA ILE 34 HA ILE 34 13.783 0.719 4.777 229 HB ILE 34 HB ILE 34 13.315 -1.640 4.987 230 HG12 ILE 34 1HG1 ILE 34 10.574 -1.343 3.843 231 HG13 ILE 34 2HG1 ILE 34 11.925 -1.515 2.728 232 HG21 ILE 34 1HG2 ILE 34 11.221 -1.528 6.358 233 HG22 ILE 34 2HG2 ILE 34 12.431 -0.306 6.750 234 HG23 ILE 34 3HG2 ILE 34 11.016 0.130 5.792 235 HD11 ILE 34 3HD1 ILE 34 10.539 -3.523 4.163 236 HD12 ILE 34 1HD1 ILE 34 11.866 -3.701 3.016 237 HD13 ILE 34 2HD1 ILE 34 12.207 -3.488 4.734 238 H HIS 35 H HIS 35 12.252 0.539 1.705 239 HA HIS 35 HA HIS 35 14.368 -1.029 0.488 240 HB2 HIS 35 1HB HIS 35 11.859 0.258 -0.572 241 HB3 HIS 35 2HB HIS 35 13.059 -0.458 -1.642 242 HD1 HIS 35 HD1 HIS 35 13.583 -2.862 0.508 243 HD2 HIS 35 HD2 HIS 35 9.998 -1.735 -1.265 244 HE1 HIS 35 HE1 HIS 35 12.113 -4.900 0.609 245 H THR 36 H THR 36 13.426 2.307 0.834 246 HA THR 36 HA THR 36 15.492 3.168 -1.053 247 HB THR 36 HB THR 36 14.554 5.472 -0.598 248 HG1 THR 36 HG1 THR 36 12.926 5.683 0.763 249 HG21 THR 36 3HG2 THR 36 12.446 5.042 -1.897 250 HG22 THR 36 1HG2 THR 36 12.774 3.318 -1.733 251 HG23 THR 36 2HG2 THR 36 13.905 4.351 -2.607 252 H GLY 37 H GLY 37 17.398 2.829 0.058 253 HA2 GLY 37 1HA GLY 37 17.723 4.422 2.527 254 HA3 GLY 37 2HA GLY 37 18.534 2.885 2.266 255 H GLU 38 H GLU 38 19.292 3.293 -0.434 256 HA GLU 38 HA GLU 38 21.678 4.803 -0.023 257 HB2 GLU 38 1HB GLU 38 20.507 3.228 -2.270 258 HB3 GLU 38 2HB GLU 38 21.803 4.360 -2.633 259 HG2 GLU 38 1HG GLU 38 21.931 2.085 -0.667 260 HG3 GLU 38 2HG GLU 38 22.673 2.128 -2.266 261 H LYS 39 H LYS 39 20.601 6.850 0.521 262 HA LYS 39 HA LYS 39 19.057 8.338 -1.270 263 HB2 LYS 39 1HB LYS 39 19.017 9.332 0.779 264 HB3 LYS 39 2HB LYS 39 20.692 8.925 1.128 265 HG2 LYS 39 1HG LYS 39 21.423 10.726 -0.375 266 HG3 LYS 39 2HG LYS 39 19.734 11.153 -0.657 267 HD2 LYS 39 1HD LYS 39 19.479 11.554 1.777 268 HD3 LYS 39 2HD LYS 39 21.205 11.242 1.976 269 HE2 LYS 39 1HE LYS 39 21.788 13.147 0.693 270 HE3 LYS 39 2HE LYS 39 20.134 13.353 0.119 271 HZ1 LYS 39 3HZ LYS 39 21.323 14.483 2.377 272 HZ2 LYS 39 1HZ LYS 39 20.127 13.418 2.923 273 HZ3 LYS 39 2HZ LYS 39 19.728 14.657 1.843 274 HA PRO 40 HA PRO 40 23.118 10.449 -2.803 275 HB2 PRO 40 1HB PRO 40 25.474 9.353 -2.016 276 HB3 PRO 40 2HB PRO 40 24.645 10.613 -1.095 277 HG2 PRO 40 1HG PRO 40 24.670 7.652 -0.657 278 HG3 PRO 40 2HG PRO 40 24.807 8.960 0.533 279 HD2 PRO 40 1HD PRO 40 22.493 7.623 0.098 280 HD3 PRO 40 2HD PRO 40 22.533 9.333 0.570 281 H SER 41 H SER 41 24.353 10.000 -4.666 282 HA SER 41 HA SER 41 23.798 7.400 -5.832 283 HB2 SER 41 1HB SER 41 23.621 9.792 -6.948 284 HB3 SER 41 2HB SER 41 25.330 9.518 -7.285 285 HG SER 41 HG SER 41 24.396 8.595 -8.985 286 H GLY 42 H GLY 42 25.173 5.806 -5.371 287 HA2 GLY 42 1HA GLY 42 27.263 4.750 -5.867 288 HA3 GLY 42 2HA GLY 42 28.043 6.320 -5.752 289 HA PRO 43 HA PRO 43 28.603 3.871 -1.782 290 HB2 PRO 43 1HB PRO 43 31.317 3.816 -1.852 291 HB3 PRO 43 2HB PRO 43 30.311 2.574 -2.607 292 HG2 PRO 43 1HG PRO 43 31.672 4.929 -3.858 293 HG3 PRO 43 2HG PRO 43 31.558 3.260 -4.446 294 HD2 PRO 43 1HD PRO 43 29.980 5.248 -5.389 295 HD3 PRO 43 2HD PRO 43 29.429 3.564 -5.274 296 H SER 44 H SER 44 28.675 4.995 0.061 297 HA SER 44 HA SER 44 29.605 7.750 -0.002 298 HB2 SER 44 1HB SER 44 28.550 7.910 2.234 299 HB3 SER 44 2HB SER 44 27.430 7.302 1.015 300 HG SER 44 HG SER 44 28.349 6.103 3.276 301 H SER 45 H SER 45 31.827 7.642 0.012 302 HA SER 45 HA SER 45 33.200 6.057 2.013 303 HB2 SER 45 1HB SER 45 34.102 7.818 -0.255 304 HB3 SER 45 2HB SER 45 35.246 7.238 0.955 305 HG SER 45 HG SER 45 33.779 5.793 -0.953 306 H GLY 46 H GLY 46 33.991 6.771 3.900 307 HA2 GLY 46 1HA GLY 46 34.170 9.674 4.346 308 HA3 GLY 46 2HA GLY 46 33.242 8.687 5.465 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -4.731 -28.073 -5.848 2 HA2 GLY 1 1HA GLY 1 -7.615 -28.462 -6.259 3 HA3 GLY 1 2HA GLY 1 -6.660 -29.793 -5.624 4 H SER 2 H SER 2 -6.385 -26.337 -4.897 5 HA SER 2 HA SER 2 -7.359 -26.863 -2.180 6 HB2 SER 2 1HB SER 2 -4.746 -26.851 -2.490 7 HB3 SER 2 2HB SER 2 -4.962 -25.102 -2.540 8 HG SER 2 HG SER 2 -5.223 -25.129 -0.464 9 H SER 3 H SER 3 -9.088 -25.596 -2.016 10 HA SER 3 HA SER 3 -8.831 -22.754 -2.215 11 HB2 SER 3 1HB SER 3 -10.277 -22.299 -4.026 12 HB3 SER 3 2HB SER 3 -9.210 -23.570 -4.622 13 HG SER 3 HG SER 3 -11.093 -24.931 -3.637 14 H GLY 4 H GLY 4 -9.925 -22.056 -0.510 15 HA2 GLY 4 1HA GLY 4 -12.663 -22.544 -0.087 16 HA3 GLY 4 2HA GLY 4 -11.738 -23.608 0.962 17 H SER 5 H SER 5 -9.650 -22.067 1.748 18 HA SER 5 HA SER 5 -10.635 -20.606 3.862 19 HB2 SER 5 1HB SER 5 -7.999 -20.261 2.414 20 HB3 SER 5 2HB SER 5 -8.369 -19.565 3.992 21 HG SER 5 HG SER 5 -8.957 -21.989 4.375 22 H SER 6 H SER 6 -11.649 -18.728 4.041 23 HA SER 6 HA SER 6 -12.460 -17.135 1.954 24 HB2 SER 6 1HB SER 6 -13.421 -17.033 4.228 25 HB3 SER 6 2HB SER 6 -11.959 -16.230 4.801 26 HG SER 6 HG SER 6 -13.561 -15.208 2.701 27 H GLY 7 H GLY 7 -9.706 -16.528 4.136 28 HA2 GLY 7 1HA GLY 7 -7.649 -15.822 2.821 29 HA3 GLY 7 2HA GLY 7 -8.701 -14.578 2.161 30 H SER 8 H SER 8 -6.370 -15.157 4.401 31 HA SER 8 HA SER 8 -7.349 -13.040 6.201 32 HB2 SER 8 1HB SER 8 -5.616 -15.440 6.656 33 HB3 SER 8 2HB SER 8 -5.403 -14.020 7.680 34 HG SER 8 HG SER 8 -6.981 -15.706 8.362 35 H GLY 9 H GLY 9 -6.276 -12.289 3.762 36 HA2 GLY 9 1HA GLY 9 -4.595 -10.264 4.234 37 HA3 GLY 9 2HA GLY 9 -3.476 -11.617 4.171 38 H GLU 10 H GLU 10 -6.266 -10.433 2.285 39 HA GLU 10 HA GLU 10 -4.619 -10.744 -0.136 40 HB2 GLU 10 1HB GLU 10 -6.543 -12.474 0.322 41 HB3 GLU 10 2HB GLU 10 -7.579 -11.169 -0.239 42 HG2 GLU 10 1HG GLU 10 -6.127 -11.075 -2.302 43 HG3 GLU 10 2HG GLU 10 -5.405 -12.585 -1.749 44 H LYS 11 H LYS 11 -4.136 -8.521 -0.083 45 HA LYS 11 HA LYS 11 -6.408 -6.781 -0.789 46 HB2 LYS 11 1HB LYS 11 -3.928 -6.089 0.793 47 HB3 LYS 11 2HB LYS 11 -5.086 -4.903 0.206 48 HG2 LYS 11 1HG LYS 11 -5.777 -5.208 2.374 49 HG3 LYS 11 2HG LYS 11 -6.818 -6.338 1.505 50 HD2 LYS 11 1HD LYS 11 -6.084 -7.677 3.219 51 HD3 LYS 11 2HD LYS 11 -4.857 -8.019 1.997 52 HE2 LYS 11 1HE LYS 11 -3.235 -6.825 3.096 53 HE3 LYS 11 2HE LYS 11 -4.400 -5.764 3.887 54 HZ1 LYS 11 3HZ LYS 11 -4.925 -8.287 4.851 55 HZ2 LYS 11 1HZ LYS 11 -4.157 -7.025 5.676 56 HZ3 LYS 11 2HZ LYS 11 -3.237 -8.172 4.840 57 HA PRO 12 HA PRO 12 -4.336 -5.873 -4.555 58 HB2 PRO 12 1HB PRO 12 -5.237 -3.355 -5.020 59 HB3 PRO 12 2HB PRO 12 -6.257 -4.788 -5.198 60 HG2 PRO 12 1HG PRO 12 -6.084 -2.857 -2.917 61 HG3 PRO 12 2HG PRO 12 -7.521 -3.579 -3.666 62 HD2 PRO 12 1HD PRO 12 -6.474 -4.494 -1.342 63 HD3 PRO 12 2HD PRO 12 -7.283 -5.559 -2.509 64 H TYR 13 H TYR 13 -3.728 -4.126 -1.690 65 HA TYR 13 HA TYR 13 -1.710 -2.397 -2.851 66 HB2 TYR 13 1HB TYR 13 -2.691 -2.828 -0.031 67 HB3 TYR 13 2HB TYR 13 -1.323 -1.786 -0.407 68 HD1 TYR 13 HD1 TYR 13 -3.933 -1.881 -2.889 69 HD2 TYR 13 HD2 TYR 13 -2.671 0.029 0.698 70 HE1 TYR 13 HE1 TYR 13 -5.478 -0.022 -3.342 71 HE2 TYR 13 HE2 TYR 13 -4.213 1.893 0.255 72 HH TYR 13 HH TYR 13 -5.448 2.636 -2.527 73 H LYS 14 H LYS 14 -0.228 -3.897 -3.688 74 HA LYS 14 HA LYS 14 1.314 -5.366 -1.650 75 HB2 LYS 14 1HB LYS 14 0.203 -6.904 -3.177 76 HB3 LYS 14 2HB LYS 14 0.881 -6.058 -4.561 77 HG2 LYS 14 1HG LYS 14 3.089 -6.772 -4.008 78 HG3 LYS 14 2HG LYS 14 2.543 -7.437 -2.467 79 HD2 LYS 14 1HD LYS 14 1.131 -9.047 -3.706 80 HD3 LYS 14 2HD LYS 14 1.784 -8.416 -5.220 81 HE2 LYS 14 1HE LYS 14 3.068 -10.321 -4.785 82 HE3 LYS 14 2HE LYS 14 4.082 -8.983 -4.250 83 HZ1 LYS 14 3HZ LYS 14 3.925 -10.948 -2.708 84 HZ2 LYS 14 1HZ LYS 14 2.328 -10.483 -2.396 85 HZ3 LYS 14 2HZ LYS 14 3.602 -9.441 -2.011 86 H CYS 15 H CYS 15 3.612 -5.524 -2.007 87 HA CYS 15 HA CYS 15 4.686 -3.068 -3.130 88 HB2 CYS 15 1HB CYS 15 5.461 -3.712 -0.924 89 HB3 CYS 15 2HB CYS 15 5.976 -5.284 -1.527 90 H ASN 16 H ASN 16 6.338 -2.983 -4.683 91 HA ASN 16 HA ASN 16 6.524 -5.390 -6.370 92 HB2 ASN 16 1HB ASN 16 5.409 -3.215 -7.249 93 HB3 ASN 16 2HB ASN 16 7.057 -2.607 -7.370 94 HD21 ASN 16 1HD2 ASN 16 6.603 -2.452 -9.647 95 HD22 ASN 16 2HD2 ASN 16 6.767 -3.850 -10.648 96 H GLU 17 H GLU 17 8.227 -4.891 -4.115 97 HA GLU 17 HA GLU 17 10.801 -4.707 -5.523 98 HB2 GLU 17 1HB GLU 17 9.879 -3.192 -3.138 99 HB3 GLU 17 2HB GLU 17 11.539 -3.771 -3.126 100 HG2 GLU 17 1HG GLU 17 10.451 -2.232 -5.450 101 HG3 GLU 17 2HG GLU 17 11.069 -1.417 -4.015 102 H CYS 18 H CYS 18 8.909 -6.006 -2.879 103 HA CYS 18 HA CYS 18 10.866 -8.186 -2.628 104 HB2 CYS 18 1HB CYS 18 10.526 -8.243 -0.209 105 HB3 CYS 18 2HB CYS 18 11.136 -6.669 -0.708 106 H GLY 19 H GLY 19 7.538 -7.090 -2.183 107 HA2 GLY 19 1HA GLY 19 5.804 -8.532 -3.163 108 HA3 GLY 19 2HA GLY 19 6.679 -9.900 -2.491 109 H LYS 20 H LYS 20 6.289 -6.957 -0.676 110 HA LYS 20 HA LYS 20 4.959 -8.379 1.436 111 HB2 LYS 20 1HB LYS 20 6.656 -6.344 1.508 112 HB3 LYS 20 2HB LYS 20 5.173 -5.402 1.430 113 HG2 LYS 20 1HG LYS 20 5.384 -5.559 3.681 114 HG3 LYS 20 2HG LYS 20 4.463 -7.036 3.387 115 HD2 LYS 20 1HD LYS 20 6.721 -8.207 3.195 116 HD3 LYS 20 2HD LYS 20 7.414 -6.739 3.889 117 HE2 LYS 20 1HE LYS 20 5.926 -6.987 5.835 118 HE3 LYS 20 2HE LYS 20 5.295 -8.482 5.145 119 HZ1 LYS 20 3HZ LYS 20 6.925 -9.506 6.221 120 HZ2 LYS 20 1HZ LYS 20 7.686 -8.052 6.630 121 HZ3 LYS 20 2HZ LYS 20 8.019 -8.792 5.147 122 H VAL 21 H VAL 21 2.935 -7.682 2.410 123 HA VAL 21 HA VAL 21 1.083 -6.418 0.503 124 HB VAL 21 HB VAL 21 0.478 -8.856 2.182 125 HG11 VAL 21 1HG1 VAL 21 -1.691 -8.843 1.035 126 HG12 VAL 21 2HG1 VAL 21 -1.449 -7.382 1.996 127 HG13 VAL 21 3HG1 VAL 21 -1.256 -7.329 0.243 128 HG21 VAL 21 3HG2 VAL 21 0.467 -8.695 -0.816 129 HG22 VAL 21 1HG2 VAL 21 1.920 -9.122 0.088 130 HG23 VAL 21 2HG2 VAL 21 0.476 -10.128 0.212 131 H PHE 22 H PHE 22 -0.554 -5.171 1.386 132 HA PHE 22 HA PHE 22 -0.774 -4.966 4.281 133 HB2 PHE 22 1HB PHE 22 -0.367 -2.419 2.750 134 HB3 PHE 22 2HB PHE 22 -0.166 -2.723 4.472 135 HD1 PHE 22 HD1 PHE 22 1.311 -3.467 1.153 136 HD2 PHE 22 HD2 PHE 22 1.933 -3.208 5.355 137 HE1 PHE 22 HE1 PHE 22 3.728 -3.773 0.810 138 HE2 PHE 22 HE2 PHE 22 4.351 -3.512 5.020 139 HZ PHE 22 HZ PHE 22 5.252 -3.795 2.745 140 H THR 23 H THR 23 -2.441 -3.072 4.746 141 HA THR 23 HA THR 23 -4.742 -3.622 3.005 142 HB THR 23 HB THR 23 -4.882 -2.395 5.754 143 HG1 THR 23 HG1 THR 23 -4.296 -4.284 6.492 144 HG21 THR 23 3HG2 THR 23 -6.853 -2.305 4.186 145 HG22 THR 23 1HG2 THR 23 -7.155 -3.111 5.725 146 HG23 THR 23 2HG2 THR 23 -6.901 -4.066 4.264 147 H GLN 24 H GLN 24 -3.487 -0.925 4.981 148 HA GLN 24 HA GLN 24 -4.869 0.979 3.274 149 HB2 GLN 24 1HB GLN 24 -3.518 1.079 5.921 150 HB3 GLN 24 2HB GLN 24 -3.563 2.565 4.982 151 HG2 GLN 24 1HG GLN 24 -5.430 2.188 6.655 152 HG3 GLN 24 2HG GLN 24 -5.894 2.660 5.021 153 HE21 GLN 24 1HE2 GLN 24 -5.216 -0.311 6.846 154 HE22 GLN 24 2HE2 GLN 24 -6.563 -1.199 6.228 155 H ASN 25 H ASN 25 -3.880 2.534 2.010 156 HA ASN 25 HA ASN 25 -1.565 1.847 0.647 157 HB2 ASN 25 1HB ASN 25 -3.036 3.365 -0.413 158 HB3 ASN 25 2HB ASN 25 -3.006 4.475 0.954 159 HD21 ASN 25 1HD2 ASN 25 -2.511 6.099 -0.627 160 HD22 ASN 25 2HD2 ASN 25 -0.883 6.300 -1.171 161 H SER 26 H SER 26 -1.964 4.294 3.202 162 HA SER 26 HA SER 26 0.559 5.306 3.374 163 HB2 SER 26 1HB SER 26 -1.157 6.170 4.808 164 HB3 SER 26 2HB SER 26 -1.353 4.612 5.611 165 HG SER 26 HG SER 26 0.991 6.213 5.686 166 H HIS 27 H HIS 27 -0.595 2.299 4.865 167 HA HIS 27 HA HIS 27 1.772 1.605 6.188 168 HB2 HIS 27 1HB HIS 27 -0.218 -0.327 4.988 169 HB3 HIS 27 2HB HIS 27 0.866 -0.622 6.344 170 HD1 HIS 27 HD1 HIS 27 -1.656 -1.266 7.338 171 HD2 HIS 27 HD2 HIS 27 -0.680 2.749 6.903 172 HE1 HIS 27 HE1 HIS 27 -3.259 -0.020 8.822 173 H LEU 28 H LEU 28 0.766 1.169 2.859 174 HA LEU 28 HA LEU 28 3.004 -0.535 2.207 175 HB2 LEU 28 1HB LEU 28 1.111 -1.000 0.938 176 HB3 LEU 28 2HB LEU 28 0.761 0.705 0.662 177 HG LEU 28 HG LEU 28 2.750 0.799 -0.841 178 HD11 LEU 28 1HD1 LEU 28 2.886 -2.057 -0.033 179 HD12 LEU 28 2HD1 LEU 28 4.183 -0.904 -0.346 180 HD13 LEU 28 3HD1 LEU 28 3.310 -1.635 -1.692 181 HD21 LEU 28 3HD2 LEU 28 1.000 0.650 -2.232 182 HD22 LEU 28 1HD2 LEU 28 0.250 -0.651 -1.307 183 HD23 LEU 28 2HD2 LEU 28 1.527 -1.017 -2.468 184 H THR 29 H THR 29 1.953 2.639 0.956 185 HA THR 29 HA THR 29 4.185 3.378 -0.417 186 HB THR 29 HB THR 29 2.218 4.786 -0.404 187 HG1 THR 29 HG1 THR 29 3.994 5.965 -0.953 188 HG21 THR 29 3HG2 THR 29 1.322 5.836 1.428 189 HG22 THR 29 1HG2 THR 29 2.868 5.922 2.272 190 HG23 THR 29 2HG2 THR 29 1.985 4.396 2.200 191 H ASN 30 H ASN 30 3.786 3.261 3.047 192 HA ASN 30 HA ASN 30 6.196 4.733 3.612 193 HB2 ASN 30 1HB ASN 30 4.163 3.265 5.249 194 HB3 ASN 30 2HB ASN 30 5.719 3.668 5.969 195 HD21 ASN 30 1HD2 ASN 30 2.699 4.649 5.910 196 HD22 ASN 30 2HD2 ASN 30 2.894 6.361 6.030 197 H HIS 31 H HIS 31 5.241 1.368 3.342 198 HA HIS 31 HA HIS 31 7.468 0.154 4.509 199 HB2 HIS 31 1HB HIS 31 5.704 -1.300 4.043 200 HB3 HIS 31 2HB HIS 31 5.514 -0.701 2.398 201 HD1 HIS 31 HD1 HIS 31 7.745 -2.931 4.465 202 HD2 HIS 31 HD2 HIS 31 6.951 -2.057 0.482 203 HE1 HIS 31 HE1 HIS 31 8.988 -4.666 3.136 204 H TRP 32 H TRP 32 6.941 1.279 1.196 205 HA TRP 32 HA TRP 32 9.171 0.271 -0.060 206 HB2 TRP 32 1HB TRP 32 7.514 2.717 -0.427 207 HB3 TRP 32 2HB TRP 32 9.051 2.642 -1.284 208 HD1 TRP 32 HD1 TRP 32 5.831 0.508 -0.915 209 HE1 TRP 32 HE1 TRP 32 5.418 -0.693 -3.154 210 HE3 TRP 32 HE3 TRP 32 10.011 2.029 -3.434 211 HZ2 TRP 32 HZ2 TRP 32 6.696 -0.960 -5.657 212 HZ3 TRP 32 HZ3 TRP 32 10.342 1.256 -5.747 213 HH2 TRP 32 HH2 TRP 32 8.717 -0.208 -6.833 214 H ARG 33 H ARG 33 9.051 2.537 2.487 215 HA ARG 33 HA ARG 33 11.297 4.110 2.059 216 HB2 ARG 33 1HB ARG 33 10.009 3.062 4.567 217 HB3 ARG 33 2HB ARG 33 11.444 4.077 4.636 218 HG2 ARG 33 1HG ARG 33 10.184 5.788 3.308 219 HG3 ARG 33 2HG ARG 33 8.743 4.792 3.527 220 HD2 ARG 33 1HD ARG 33 8.504 6.187 5.314 221 HD3 ARG 33 2HD ARG 33 9.483 4.927 6.064 222 HE ARG 33 HE ARG 33 11.210 6.421 6.249 223 HH11 ARG 33 1HH1 ARG 33 8.823 7.688 4.053 224 HH12 ARG 33 2HH1 ARG 33 9.564 9.250 3.942 225 HH21 ARG 33 1HH2 ARG 33 12.195 8.474 6.110 226 HH22 ARG 33 2HH2 ARG 33 11.483 9.695 5.112 227 H ILE 34 H ILE 34 11.107 1.000 3.791 228 HA ILE 34 HA ILE 34 13.841 0.749 4.332 229 HB ILE 34 HB ILE 34 13.433 -1.604 4.715 230 HG12 ILE 34 1HG1 ILE 34 10.601 -1.398 3.795 231 HG13 ILE 34 2HG1 ILE 34 11.854 -1.627 2.580 232 HG21 ILE 34 1HG2 ILE 34 11.765 -1.443 6.407 233 HG22 ILE 34 2HG2 ILE 34 12.583 0.117 6.324 234 HG23 ILE 34 3HG2 ILE 34 10.989 -0.083 5.596 235 HD11 ILE 34 3HD1 ILE 34 11.080 -3.443 4.832 236 HD12 ILE 34 1HD1 ILE 34 11.104 -3.774 3.100 237 HD13 ILE 34 2HD1 ILE 34 12.619 -3.603 3.986 238 H HIS 35 H HIS 35 12.272 0.709 1.372 239 HA HIS 35 HA HIS 35 14.287 -1.001 0.104 240 HB2 HIS 35 1HB HIS 35 11.650 0.105 -0.851 241 HB3 HIS 35 2HB HIS 35 12.803 -0.651 -1.946 242 HD1 HIS 35 HD1 HIS 35 13.663 -3.028 -0.161 243 HD2 HIS 35 HD2 HIS 35 9.730 -1.830 -0.757 244 HE1 HIS 35 HE1 HIS 35 12.262 -5.058 0.324 245 H THR 36 H THR 36 13.063 2.292 0.161 246 HA THR 36 HA THR 36 14.895 3.156 -1.915 247 HB THR 36 HB THR 36 13.970 5.434 -1.427 248 HG1 THR 36 HG1 THR 36 11.861 5.099 -0.118 249 HG21 THR 36 3HG2 THR 36 12.134 5.079 -2.741 250 HG22 THR 36 1HG2 THR 36 11.607 3.673 -1.818 251 HG23 THR 36 2HG2 THR 36 12.940 3.527 -2.963 252 H GLY 37 H GLY 37 16.887 2.612 -0.861 253 HA2 GLY 37 1HA GLY 37 18.459 4.502 0.098 254 HA3 GLY 37 2HA GLY 37 17.553 4.121 1.554 255 H GLU 38 H GLU 38 19.835 2.897 -0.812 256 HA GLU 38 HA GLU 38 20.222 0.320 0.114 257 HB2 GLU 38 1HB GLU 38 22.091 2.304 -1.154 258 HB3 GLU 38 2HB GLU 38 22.646 0.702 -0.692 259 HG2 GLU 38 1HG GLU 38 20.857 -0.267 -2.114 260 HG3 GLU 38 2HG GLU 38 20.468 1.364 -2.657 261 H LYS 39 H LYS 39 20.193 0.057 2.308 262 HA LYS 39 HA LYS 39 21.662 1.656 4.130 263 HB2 LYS 39 1HB LYS 39 19.986 0.603 5.259 264 HB3 LYS 39 2HB LYS 39 20.073 -0.840 4.256 265 HG2 LYS 39 1HG LYS 39 22.120 -1.513 5.455 266 HG3 LYS 39 2HG LYS 39 21.940 -0.102 6.501 267 HD2 LYS 39 1HD LYS 39 19.513 -1.124 6.826 268 HD3 LYS 39 2HD LYS 39 20.356 -2.615 6.399 269 HE2 LYS 39 1HE LYS 39 22.016 -2.109 8.183 270 HE3 LYS 39 2HE LYS 39 21.025 -0.730 8.656 271 HZ1 LYS 39 3HZ LYS 39 20.498 -3.595 8.980 272 HZ2 LYS 39 1HZ LYS 39 19.179 -2.556 8.773 273 HZ3 LYS 39 2HZ LYS 39 20.244 -2.323 10.066 274 HA PRO 40 HA PRO 40 24.791 -2.017 4.272 275 HB2 PRO 40 1HB PRO 40 24.514 -3.971 2.407 276 HB3 PRO 40 2HB PRO 40 23.707 -4.022 3.979 277 HG2 PRO 40 1HG PRO 40 22.617 -3.193 1.317 278 HG3 PRO 40 2HG PRO 40 21.864 -4.194 2.572 279 HD2 PRO 40 1HD PRO 40 21.260 -1.576 2.239 280 HD3 PRO 40 2HD PRO 40 21.234 -2.367 3.828 281 H SER 41 H SER 41 26.272 -3.219 2.336 282 HA SER 41 HA SER 41 27.544 -1.046 1.072 283 HB2 SER 41 1HB SER 41 27.803 -4.020 0.573 284 HB3 SER 41 2HB SER 41 28.890 -2.798 -0.085 285 HG SER 41 HG SER 41 29.251 -2.181 2.172 286 H GLY 42 H GLY 42 25.736 -3.767 -0.371 287 HA2 GLY 42 1HA GLY 42 23.978 -2.944 -2.013 288 HA3 GLY 42 2HA GLY 42 25.316 -2.079 -2.756 289 HA PRO 43 HA PRO 43 24.841 -6.616 -4.248 290 HB2 PRO 43 1HB PRO 43 23.305 -6.237 -6.454 291 HB3 PRO 43 2HB PRO 43 22.628 -6.610 -4.864 292 HG2 PRO 43 1HG PRO 43 22.883 -3.964 -6.241 293 HG3 PRO 43 2HG PRO 43 21.516 -4.620 -5.322 294 HD2 PRO 43 1HD PRO 43 23.258 -2.836 -4.267 295 HD3 PRO 43 2HD PRO 43 22.463 -4.087 -3.289 296 H SER 44 H SER 44 24.992 -7.082 -6.906 297 HA SER 44 HA SER 44 27.412 -5.606 -7.659 298 HB2 SER 44 1HB SER 44 27.357 -8.169 -7.458 299 HB3 SER 44 2HB SER 44 26.426 -8.144 -8.955 300 HG SER 44 HG SER 44 28.370 -6.651 -9.559 301 H SER 45 H SER 45 26.327 -3.768 -8.490 302 HA SER 45 HA SER 45 25.763 -3.908 -11.264 303 HB2 SER 45 1HB SER 45 23.447 -3.495 -11.356 304 HB3 SER 45 2HB SER 45 23.603 -4.770 -10.147 305 HG SER 45 HG SER 45 22.250 -3.150 -9.367 306 H GLY 46 H GLY 46 26.028 -1.945 -12.206 307 HA2 GLY 46 1HA GLY 46 26.308 0.336 -12.409 308 HA3 GLY 46 2HA GLY 46 25.563 0.520 -10.828 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -1.847 -30.529 0.609 2 HA2 GLY 1 1HA GLY 1 -1.571 -28.145 0.075 3 HA3 GLY 1 2HA GLY 1 -1.635 -28.601 -1.620 4 H SER 2 H SER 2 -3.702 -29.683 -2.317 5 HA SER 2 HA SER 2 -5.911 -29.258 -2.775 6 HB2 SER 2 1HB SER 2 -7.405 -29.884 -0.871 7 HB3 SER 2 2HB SER 2 -6.113 -31.050 -1.159 8 HG SER 2 HG SER 2 -5.607 -30.742 0.847 9 H SER 3 H SER 3 -4.524 -26.866 -2.403 10 HA SER 3 HA SER 3 -6.572 -25.205 -1.087 11 HB2 SER 3 1HB SER 3 -4.378 -25.221 0.121 12 HB3 SER 3 2HB SER 3 -3.630 -24.534 -1.320 13 HG SER 3 HG SER 3 -5.582 -22.954 -0.929 14 H GLY 4 H GLY 4 -7.404 -23.534 -2.230 15 HA2 GLY 4 1HA GLY 4 -6.982 -23.485 -5.053 16 HA3 GLY 4 2HA GLY 4 -8.013 -22.396 -4.138 17 H SER 5 H SER 5 -6.305 -21.704 -6.338 18 HA SER 5 HA SER 5 -3.983 -20.384 -5.258 19 HB2 SER 5 1HB SER 5 -4.103 -21.331 -7.588 20 HB3 SER 5 2HB SER 5 -5.215 -20.025 -7.997 21 HG SER 5 HG SER 5 -3.600 -18.666 -8.049 22 H SER 6 H SER 6 -7.020 -19.285 -6.763 23 HA SER 6 HA SER 6 -6.552 -16.543 -6.104 24 HB2 SER 6 1HB SER 6 -7.901 -16.972 -8.026 25 HB3 SER 6 2HB SER 6 -8.982 -18.026 -7.115 26 HG SER 6 HG SER 6 -10.077 -16.181 -7.108 27 H GLY 7 H GLY 7 -9.041 -18.849 -4.984 28 HA2 GLY 7 1HA GLY 7 -10.149 -19.018 -2.982 29 HA3 GLY 7 2HA GLY 7 -8.717 -18.305 -2.253 30 H SER 8 H SER 8 -9.367 -16.718 -0.959 31 HA SER 8 HA SER 8 -11.739 -15.197 -1.448 32 HB2 SER 8 1HB SER 8 -10.760 -15.778 0.832 33 HB3 SER 8 2HB SER 8 -9.565 -14.516 0.535 34 HG SER 8 HG SER 8 -11.250 -13.020 0.391 35 H GLY 9 H GLY 9 -8.342 -14.146 -1.093 36 HA2 GLY 9 1HA GLY 9 -7.541 -12.863 -3.147 37 HA3 GLY 9 2HA GLY 9 -8.974 -11.883 -2.876 38 H GLU 10 H GLU 10 -6.167 -11.078 -2.895 39 HA GLU 10 HA GLU 10 -5.946 -10.102 -0.122 40 HB2 GLU 10 1HB GLU 10 -3.839 -10.915 -2.100 41 HB3 GLU 10 2HB GLU 10 -3.462 -9.783 -0.809 42 HG2 GLU 10 1HG GLU 10 -2.835 -11.989 -0.128 43 HG3 GLU 10 2HG GLU 10 -4.212 -11.460 0.837 44 H LYS 11 H LYS 11 -5.585 -7.944 0.220 45 HA LYS 11 HA LYS 11 -6.655 -6.034 -1.355 46 HB2 LYS 11 1HB LYS 11 -4.260 -5.789 0.466 47 HB3 LYS 11 2HB LYS 11 -5.072 -4.402 -0.247 48 HG2 LYS 11 1HG LYS 11 -5.999 -4.563 1.875 49 HG3 LYS 11 2HG LYS 11 -7.199 -5.335 0.836 50 HD2 LYS 11 1HD LYS 11 -6.742 -7.436 1.639 51 HD3 LYS 11 2HD LYS 11 -5.077 -7.028 2.063 52 HE2 LYS 11 1HE LYS 11 -6.161 -7.247 4.123 53 HE3 LYS 11 2HE LYS 11 -6.101 -5.507 3.848 54 HZ1 LYS 11 3HZ LYS 11 -8.295 -5.421 3.969 55 HZ2 LYS 11 1HZ LYS 11 -8.342 -7.073 4.331 56 HZ3 LYS 11 2HZ LYS 11 -8.462 -6.556 2.726 57 HA PRO 12 HA PRO 12 -4.177 -5.528 -4.953 58 HB2 PRO 12 1HB PRO 12 -4.790 -2.956 -5.568 59 HB3 PRO 12 2HB PRO 12 -5.919 -4.295 -5.804 60 HG2 PRO 12 1HG PRO 12 -5.776 -2.309 -3.569 61 HG3 PRO 12 2HG PRO 12 -7.199 -2.922 -4.431 62 HD2 PRO 12 1HD PRO 12 -6.462 -3.846 -1.995 63 HD3 PRO 12 2HD PRO 12 -7.257 -4.873 -3.206 64 H TYR 13 H TYR 13 -3.637 -3.819 -2.073 65 HA TYR 13 HA TYR 13 -1.437 -2.219 -3.048 66 HB2 TYR 13 1HB TYR 13 -2.540 -2.741 -0.288 67 HB3 TYR 13 2HB TYR 13 -1.114 -1.750 -0.573 68 HD1 TYR 13 HD1 TYR 13 -3.553 -1.528 -3.181 69 HD2 TYR 13 HD2 TYR 13 -2.503 0.009 0.645 70 HE1 TYR 13 HE1 TYR 13 -4.994 0.426 -3.577 71 HE2 TYR 13 HE2 TYR 13 -3.941 1.967 0.260 72 HH TYR 13 HH TYR 13 -5.096 3.122 -1.313 73 H LYS 14 H LYS 14 -0.022 -3.765 -3.912 74 HA LYS 14 HA LYS 14 1.371 -5.398 -1.892 75 HB2 LYS 14 1HB LYS 14 -0.001 -6.595 -3.746 76 HB3 LYS 14 2HB LYS 14 1.318 -6.119 -4.807 77 HG2 LYS 14 1HG LYS 14 2.006 -7.499 -2.272 78 HG3 LYS 14 2HG LYS 14 1.285 -8.451 -3.572 79 HD2 LYS 14 1HD LYS 14 3.112 -7.163 -5.007 80 HD3 LYS 14 2HD LYS 14 3.924 -7.092 -3.441 81 HE2 LYS 14 1HE LYS 14 3.075 -9.522 -4.994 82 HE3 LYS 14 2HE LYS 14 4.701 -9.059 -4.496 83 HZ1 LYS 14 3HZ LYS 14 3.168 -10.814 -3.184 84 HZ2 LYS 14 1HZ LYS 14 2.810 -9.397 -2.333 85 HZ3 LYS 14 2HZ LYS 14 4.412 -9.923 -2.463 86 H CYS 15 H CYS 15 3.568 -5.302 -1.833 87 HA CYS 15 HA CYS 15 4.807 -3.169 -3.379 88 HB2 CYS 15 1HB CYS 15 5.329 -3.049 -1.076 89 HB3 CYS 15 2HB CYS 15 5.669 -4.774 -0.981 90 H ASN 16 H ASN 16 5.459 -3.758 -5.354 91 HA ASN 16 HA ASN 16 6.178 -6.362 -6.130 92 HB2 ASN 16 1HB ASN 16 5.443 -4.672 -7.741 93 HB3 ASN 16 2HB ASN 16 6.886 -3.715 -7.416 94 HD21 ASN 16 1HD2 ASN 16 5.715 -6.750 -8.729 95 HD22 ASN 16 2HD2 ASN 16 7.071 -7.042 -9.759 96 H GLU 17 H GLU 17 8.013 -3.745 -4.746 97 HA GLU 17 HA GLU 17 10.599 -4.348 -5.431 98 HB2 GLU 17 1HB GLU 17 9.555 -2.545 -3.797 99 HB3 GLU 17 2HB GLU 17 10.035 -3.710 -2.571 100 HG2 GLU 17 1HG GLU 17 11.703 -1.923 -3.007 101 HG3 GLU 17 2HG GLU 17 12.320 -3.562 -3.207 102 H CYS 18 H CYS 18 8.885 -5.627 -2.575 103 HA CYS 18 HA CYS 18 10.700 -7.948 -2.653 104 HB2 CYS 18 1HB CYS 18 10.510 -8.109 -0.235 105 HB3 CYS 18 2HB CYS 18 11.070 -6.500 -0.679 106 H GLY 19 H GLY 19 7.423 -6.817 -1.962 107 HA2 GLY 19 1HA GLY 19 5.622 -8.191 -2.949 108 HA3 GLY 19 2HA GLY 19 6.492 -9.595 -2.349 109 H LYS 20 H LYS 20 6.028 -6.600 -0.567 110 HA LYS 20 HA LYS 20 4.762 -8.098 1.576 111 HB2 LYS 20 1HB LYS 20 6.593 -6.188 1.716 112 HB3 LYS 20 2HB LYS 20 5.177 -5.145 1.711 113 HG2 LYS 20 1HG LYS 20 5.414 -5.429 3.948 114 HG3 LYS 20 2HG LYS 20 4.389 -6.822 3.600 115 HD2 LYS 20 1HD LYS 20 6.744 -7.978 3.202 116 HD3 LYS 20 2HD LYS 20 7.274 -6.706 4.306 117 HE2 LYS 20 1HE LYS 20 6.745 -8.633 5.612 118 HE3 LYS 20 2HE LYS 20 5.479 -7.437 5.882 119 HZ1 LYS 20 3HZ LYS 20 4.779 -9.836 5.474 120 HZ2 LYS 20 1HZ LYS 20 5.173 -9.560 3.852 121 HZ3 LYS 20 2HZ LYS 20 3.972 -8.634 4.600 122 H VAL 21 H VAL 21 2.663 -8.002 2.133 123 HA VAL 21 HA VAL 21 0.912 -6.310 0.485 124 HB VAL 21 HB VAL 21 0.231 -8.789 2.073 125 HG11 VAL 21 1HG1 VAL 21 -1.557 -6.979 1.774 126 HG12 VAL 21 2HG1 VAL 21 -1.536 -7.426 0.067 127 HG13 VAL 21 3HG1 VAL 21 -1.965 -8.625 1.289 128 HG21 VAL 21 3HG2 VAL 21 -0.117 -9.794 -0.177 129 HG22 VAL 21 1HG2 VAL 21 0.578 -8.337 -0.888 130 HG23 VAL 21 2HG2 VAL 21 1.561 -9.365 0.155 131 H PHE 22 H PHE 22 -0.630 -4.995 1.402 132 HA PHE 22 HA PHE 22 -0.767 -4.857 4.324 133 HB2 PHE 22 1HB PHE 22 -0.437 -2.366 2.656 134 HB3 PHE 22 2HB PHE 22 -0.362 -2.514 4.408 135 HD1 PHE 22 HD1 PHE 22 1.381 -3.516 1.290 136 HD2 PHE 22 HD2 PHE 22 1.675 -2.839 5.482 137 HE1 PHE 22 HE1 PHE 22 3.823 -3.780 1.158 138 HE2 PHE 22 HE2 PHE 22 4.118 -3.101 5.356 139 HZ PHE 22 HZ PHE 22 5.196 -3.571 3.192 140 H THR 23 H THR 23 -2.560 -3.375 5.042 141 HA THR 23 HA THR 23 -4.915 -3.951 3.438 142 HB THR 23 HB THR 23 -4.945 -4.405 5.870 143 HG1 THR 23 HG1 THR 23 -7.016 -3.813 5.989 144 HG21 THR 23 3HG2 THR 23 -5.286 -1.558 6.555 145 HG22 THR 23 1HG2 THR 23 -3.639 -2.053 6.168 146 HG23 THR 23 2HG2 THR 23 -4.520 -2.860 7.465 147 H GLN 24 H GLN 24 -3.074 -1.182 4.577 148 HA GLN 24 HA GLN 24 -4.791 0.555 2.929 149 HB2 GLN 24 1HB GLN 24 -3.427 1.108 5.557 150 HB3 GLN 24 2HB GLN 24 -3.964 2.405 4.497 151 HG2 GLN 24 1HG GLN 24 -6.234 1.052 4.599 152 HG3 GLN 24 2HG GLN 24 -5.547 0.504 6.127 153 HE21 GLN 24 1HE2 GLN 24 -7.348 1.609 7.102 154 HE22 GLN 24 2HE2 GLN 24 -7.266 3.313 7.369 155 H ASN 25 H ASN 25 -3.605 2.598 2.235 156 HA ASN 25 HA ASN 25 -1.302 1.830 0.754 157 HB2 ASN 25 1HB ASN 25 -2.692 3.428 -0.286 158 HB3 ASN 25 2HB ASN 25 -2.743 4.444 1.152 159 HD21 ASN 25 1HD2 ASN 25 -0.290 3.038 -0.998 160 HD22 ASN 25 2HD2 ASN 25 0.643 4.484 -1.154 161 H SER 26 H SER 26 -1.729 4.328 3.269 162 HA SER 26 HA SER 26 0.769 5.225 3.653 163 HB2 SER 26 1HB SER 26 -1.188 5.876 5.037 164 HB3 SER 26 2HB SER 26 -1.036 4.360 5.926 165 HG SER 26 HG SER 26 0.663 5.117 6.954 166 H HIS 27 H HIS 27 -0.402 2.049 4.581 167 HA HIS 27 HA HIS 27 1.906 1.293 6.067 168 HB2 HIS 27 1HB HIS 27 -0.161 -0.459 4.720 169 HB3 HIS 27 2HB HIS 27 0.991 -0.979 5.946 170 HD1 HIS 27 HD1 HIS 27 -1.114 -1.700 7.374 171 HD2 HIS 27 HD2 HIS 27 -0.734 2.382 6.699 172 HE1 HIS 27 HE1 HIS 27 -2.656 -0.599 9.028 173 H LEU 28 H LEU 28 0.838 0.698 2.735 174 HA LEU 28 HA LEU 28 3.138 -0.836 2.034 175 HB2 LEU 28 1HB LEU 28 1.271 -1.273 0.724 176 HB3 LEU 28 2HB LEU 28 0.898 0.437 0.515 177 HG LEU 28 HG LEU 28 2.950 0.592 -0.940 178 HD11 LEU 28 1HD1 LEU 28 4.248 -1.173 -1.385 179 HD12 LEU 28 2HD1 LEU 28 2.876 -2.270 -1.523 180 HD13 LEU 28 3HD1 LEU 28 3.534 -1.879 0.065 181 HD21 LEU 28 3HD2 LEU 28 1.713 0.148 -2.800 182 HD22 LEU 28 1HD2 LEU 28 0.426 0.112 -1.595 183 HD23 LEU 28 2HD2 LEU 28 1.127 -1.396 -2.181 184 H THR 29 H THR 29 2.110 2.480 1.230 185 HA THR 29 HA THR 29 4.393 3.229 -0.188 186 HB THR 29 HB THR 29 2.263 4.533 -0.106 187 HG1 THR 29 HG1 THR 29 4.820 5.517 0.009 188 HG21 THR 29 3HG2 THR 29 1.676 5.882 1.702 189 HG22 THR 29 1HG2 THR 29 3.286 5.793 2.416 190 HG23 THR 29 2HG2 THR 29 2.216 4.393 2.477 191 H ASN 30 H ASN 30 3.706 3.318 3.271 192 HA ASN 30 HA ASN 30 6.063 4.741 3.992 193 HB2 ASN 30 1HB ASN 30 4.109 4.688 5.462 194 HB3 ASN 30 2HB ASN 30 4.280 2.945 5.651 195 HD21 ASN 30 1HD2 ASN 30 4.771 5.754 7.163 196 HD22 ASN 30 2HD2 ASN 30 6.104 5.336 8.180 197 H HIS 31 H HIS 31 5.406 1.466 3.191 198 HA HIS 31 HA HIS 31 7.634 0.316 4.581 199 HB2 HIS 31 1HB HIS 31 5.926 -1.223 4.164 200 HB3 HIS 31 2HB HIS 31 5.698 -0.668 2.508 201 HD1 HIS 31 HD1 HIS 31 7.847 -2.904 4.601 202 HD2 HIS 31 HD2 HIS 31 7.381 -1.841 0.612 203 HE1 HIS 31 HE1 HIS 31 9.210 -4.568 3.299 204 H TRP 32 H TRP 32 6.963 0.934 1.133 205 HA TRP 32 HA TRP 32 9.240 0.152 -0.069 206 HB2 TRP 32 1HB TRP 32 7.431 2.470 -0.527 207 HB3 TRP 32 2HB TRP 32 8.959 2.452 -1.403 208 HD1 TRP 32 HD1 TRP 32 5.956 0.048 -0.846 209 HE1 TRP 32 HE1 TRP 32 5.571 -1.248 -3.036 210 HE3 TRP 32 HE3 TRP 32 9.838 1.923 -3.594 211 HZ2 TRP 32 HZ2 TRP 32 6.755 -1.450 -5.590 212 HZ3 TRP 32 HZ3 TRP 32 10.143 1.126 -5.902 213 HH2 TRP 32 HH2 TRP 32 8.633 -0.526 -6.877 214 H ARG 33 H ARG 33 8.951 2.748 2.206 215 HA ARG 33 HA ARG 33 11.148 4.315 1.677 216 HB2 ARG 33 1HB ARG 33 9.975 3.443 4.316 217 HB3 ARG 33 2HB ARG 33 11.262 4.635 4.194 218 HG2 ARG 33 1HG ARG 33 9.759 5.986 2.724 219 HG3 ARG 33 2HG ARG 33 8.469 4.843 3.102 220 HD2 ARG 33 1HD ARG 33 9.133 5.362 5.574 221 HD3 ARG 33 2HD ARG 33 9.839 6.818 4.874 222 HE ARG 33 HE ARG 33 7.316 6.749 3.855 223 HH11 ARG 33 1HH1 ARG 33 8.656 6.659 7.067 224 HH12 ARG 33 2HH1 ARG 33 7.293 7.437 7.799 225 HH21 ARG 33 1HH2 ARG 33 5.515 7.775 4.807 226 HH22 ARG 33 2HH2 ARG 33 5.506 8.071 6.512 227 H ILE 34 H ILE 34 11.057 1.310 3.576 228 HA ILE 34 HA ILE 34 13.777 1.239 4.247 229 HB ILE 34 HB ILE 34 13.476 -1.102 4.748 230 HG12 ILE 34 1HG1 ILE 34 10.691 -1.124 3.676 231 HG13 ILE 34 2HG1 ILE 34 12.019 -1.335 2.540 232 HG21 ILE 34 1HG2 ILE 34 11.139 -0.859 5.966 233 HG22 ILE 34 2HG2 ILE 34 12.563 0.032 6.501 234 HG23 ILE 34 3HG2 ILE 34 11.349 0.828 5.499 235 HD11 ILE 34 3HD1 ILE 34 10.848 -3.221 4.351 236 HD12 ILE 34 1HD1 ILE 34 12.014 -3.484 3.054 237 HD13 ILE 34 2HD1 ILE 34 12.575 -3.052 4.669 238 H HIS 35 H HIS 35 12.175 0.624 1.274 239 HA HIS 35 HA HIS 35 14.350 -0.946 0.165 240 HB2 HIS 35 1HB HIS 35 11.728 0.050 -0.935 241 HB3 HIS 35 2HB HIS 35 12.941 -0.702 -1.967 242 HD1 HIS 35 HD1 HIS 35 13.775 -2.911 0.158 243 HD2 HIS 35 HD2 HIS 35 9.909 -2.023 -1.076 244 HE1 HIS 35 HE1 HIS 35 12.433 -4.991 0.604 245 H THR 36 H THR 36 13.009 2.306 -0.115 246 HA THR 36 HA THR 36 15.060 3.068 -2.039 247 HB THR 36 HB THR 36 13.927 5.251 -2.098 248 HG1 THR 36 HG1 THR 36 12.607 4.151 0.105 249 HG21 THR 36 3HG2 THR 36 12.563 4.388 -3.634 250 HG22 THR 36 1HG2 THR 36 11.521 3.712 -2.384 251 HG23 THR 36 2HG2 THR 36 12.897 2.785 -2.981 252 H GLY 37 H GLY 37 17.001 3.190 -1.001 253 HA2 GLY 37 1HA GLY 37 17.466 5.475 0.655 254 HA3 GLY 37 2HA GLY 37 17.550 3.981 1.575 255 H GLU 38 H GLU 38 18.921 2.231 0.360 256 HA GLU 38 HA GLU 38 21.145 1.673 0.104 257 HB2 GLU 38 1HB GLU 38 20.234 3.196 -2.286 258 HB3 GLU 38 2HB GLU 38 21.942 2.792 -2.180 259 HG2 GLU 38 1HG GLU 38 21.574 0.554 -2.407 260 HG3 GLU 38 2HG GLU 38 19.962 0.634 -1.700 261 H LYS 39 H LYS 39 20.722 4.070 1.743 262 HA LYS 39 HA LYS 39 22.591 6.081 1.103 263 HB2 LYS 39 1HB LYS 39 21.187 6.851 2.724 264 HB3 LYS 39 2HB LYS 39 21.042 5.278 3.496 265 HG2 LYS 39 1HG LYS 39 22.141 6.811 4.985 266 HG3 LYS 39 2HG LYS 39 23.288 5.574 4.464 267 HD2 LYS 39 1HD LYS 39 24.553 7.483 4.229 268 HD3 LYS 39 2HD LYS 39 23.873 7.324 2.607 269 HE2 LYS 39 1HE LYS 39 22.658 9.016 4.785 270 HE3 LYS 39 2HE LYS 39 23.776 9.634 3.571 271 HZ1 LYS 39 3HZ LYS 39 22.062 8.547 1.951 272 HZ2 LYS 39 1HZ LYS 39 21.780 10.087 2.594 273 HZ3 LYS 39 2HZ LYS 39 21.002 8.739 3.256 274 HA PRO 40 HA PRO 40 25.641 3.809 4.077 275 HB2 PRO 40 1HB PRO 40 24.949 1.323 4.920 276 HB3 PRO 40 2HB PRO 40 24.499 2.792 5.793 277 HG2 PRO 40 1HG PRO 40 22.871 1.138 3.903 278 HG3 PRO 40 2HG PRO 40 22.395 1.865 5.449 279 HD2 PRO 40 1HD PRO 40 21.759 2.973 3.061 280 HD3 PRO 40 2HD PRO 40 22.069 3.946 4.514 281 H SER 41 H SER 41 23.812 1.382 2.206 282 HA SER 41 HA SER 41 26.352 0.498 1.011 283 HB2 SER 41 1HB SER 41 24.788 -1.137 2.281 284 HB3 SER 41 2HB SER 41 23.775 -1.045 0.840 285 HG SER 41 HG SER 41 25.568 -2.727 1.044 286 H GLY 42 H GLY 42 26.562 1.928 -0.676 287 HA2 GLY 42 1HA GLY 42 24.454 1.761 -2.739 288 HA3 GLY 42 2HA GLY 42 25.279 3.269 -2.374 289 HA PRO 43 HA PRO 43 28.553 0.386 -4.479 290 HB2 PRO 43 1HB PRO 43 27.594 -1.881 -5.625 291 HB3 PRO 43 2HB PRO 43 28.166 -1.817 -3.954 292 HG2 PRO 43 1HG PRO 43 25.364 -1.712 -5.001 293 HG3 PRO 43 2HG PRO 43 26.006 -2.607 -3.612 294 HD2 PRO 43 1HD PRO 43 24.669 -0.268 -3.345 295 HD3 PRO 43 2HD PRO 43 25.972 -0.755 -2.242 296 H SER 44 H SER 44 25.285 0.465 -5.813 297 HA SER 44 HA SER 44 26.410 1.100 -8.457 298 HB2 SER 44 1HB SER 44 24.291 0.402 -9.407 299 HB3 SER 44 2HB SER 44 24.879 -0.867 -8.333 300 HG SER 44 HG SER 44 23.451 -0.072 -6.737 301 H SER 45 H SER 45 24.994 2.624 -9.764 302 HA SER 45 HA SER 45 23.879 4.747 -8.059 303 HB2 SER 45 1HB SER 45 26.040 5.564 -8.656 304 HB3 SER 45 2HB SER 45 25.849 5.044 -10.330 305 HG SER 45 HG SER 45 23.962 6.829 -9.331 306 H GLY 46 H GLY 46 21.987 5.587 -8.728 307 HA2 GLY 46 1HA GLY 46 20.805 6.289 -10.897 308 HA3 GLY 46 2HA GLY 46 20.921 4.579 -11.283 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -7.950 -18.522 -8.689 2 HA2 GLY 1 1HA GLY 1 -10.333 -19.572 -7.440 3 HA3 GLY 1 2HA GLY 1 -8.748 -19.413 -6.699 4 H SER 2 H SER 2 -10.716 -18.817 -5.080 5 HA SER 2 HA SER 2 -10.653 -15.882 -4.940 6 HB2 SER 2 1HB SER 2 -12.960 -15.788 -4.233 7 HB3 SER 2 2HB SER 2 -12.887 -16.678 -5.754 8 HG SER 2 HG SER 2 -12.854 -18.616 -4.398 9 H SER 3 H SER 3 -8.878 -17.571 -3.639 10 HA SER 3 HA SER 3 -9.674 -18.288 -1.026 11 HB2 SER 3 1HB SER 3 -7.070 -17.945 -2.440 12 HB3 SER 3 2HB SER 3 -7.049 -17.999 -0.678 13 HG SER 3 HG SER 3 -7.303 -20.068 -0.819 14 H GLY 4 H GLY 4 -7.661 -15.541 -2.108 15 HA2 GLY 4 1HA GLY 4 -8.268 -14.183 0.423 16 HA3 GLY 4 2HA GLY 4 -6.974 -13.758 -0.686 17 H SER 5 H SER 5 -10.439 -14.270 -1.278 18 HA SER 5 HA SER 5 -10.572 -11.494 -2.263 19 HB2 SER 5 1HB SER 5 -10.786 -13.535 -3.915 20 HB3 SER 5 2HB SER 5 -12.432 -13.607 -3.286 21 HG SER 5 HG SER 5 -12.762 -11.505 -3.990 22 H SER 6 H SER 6 -11.253 -10.775 -0.193 23 HA SER 6 HA SER 6 -13.878 -11.734 0.702 24 HB2 SER 6 1HB SER 6 -11.723 -10.130 2.083 25 HB3 SER 6 2HB SER 6 -13.333 -10.352 2.767 26 HG SER 6 HG SER 6 -12.663 -12.736 2.179 27 H GLY 7 H GLY 7 -15.520 -10.198 1.300 28 HA2 GLY 7 1HA GLY 7 -15.566 -7.929 -0.533 29 HA3 GLY 7 2HA GLY 7 -16.937 -8.578 0.354 30 H SER 8 H SER 8 -16.780 -5.939 0.326 31 HA SER 8 HA SER 8 -16.663 -4.058 1.602 32 HB2 SER 8 1HB SER 8 -16.793 -6.221 3.690 33 HB3 SER 8 2HB SER 8 -16.690 -4.521 4.147 34 HG SER 8 HG SER 8 -18.798 -5.940 3.114 35 H GLY 9 H GLY 9 -14.232 -4.867 0.518 36 HA2 GLY 9 1HA GLY 9 -12.375 -3.276 1.719 37 HA3 GLY 9 2HA GLY 9 -12.178 -4.820 2.535 38 H GLU 10 H GLU 10 -10.650 -3.098 0.426 39 HA GLU 10 HA GLU 10 -9.788 -5.421 -1.133 40 HB2 GLU 10 1HB GLU 10 -10.353 -2.717 -2.362 41 HB3 GLU 10 2HB GLU 10 -9.722 -4.127 -3.201 42 HG2 GLU 10 1HG GLU 10 -11.859 -5.308 -2.538 43 HG3 GLU 10 2HG GLU 10 -12.467 -3.724 -2.058 44 H LYS 11 H LYS 11 -7.718 -5.672 -0.643 45 HA LYS 11 HA LYS 11 -6.039 -3.268 -0.350 46 HB2 LYS 11 1HB LYS 11 -4.664 -4.467 1.214 47 HB3 LYS 11 2HB LYS 11 -6.339 -4.608 1.733 48 HG2 LYS 11 1HG LYS 11 -6.215 -6.838 0.323 49 HG3 LYS 11 2HG LYS 11 -4.494 -6.678 0.679 50 HD2 LYS 11 1HD LYS 11 -4.806 -6.923 2.952 51 HD3 LYS 11 2HD LYS 11 -6.482 -6.371 2.886 52 HE2 LYS 11 1HE LYS 11 -6.677 -8.657 3.277 53 HE3 LYS 11 2HE LYS 11 -6.912 -8.517 1.535 54 HZ1 LYS 11 3HZ LYS 11 -5.414 -10.339 2.136 55 HZ2 LYS 11 1HZ LYS 11 -4.349 -9.236 2.851 56 HZ3 LYS 11 2HZ LYS 11 -4.635 -9.176 1.185 57 HA PRO 12 HA PRO 12 -4.590 -5.823 -4.005 58 HB2 PRO 12 1HB PRO 12 -4.663 -3.792 -5.805 59 HB3 PRO 12 2HB PRO 12 -6.053 -4.832 -5.474 60 HG2 PRO 12 1HG PRO 12 -5.447 -2.092 -4.432 61 HG3 PRO 12 2HG PRO 12 -6.986 -2.752 -5.017 62 HD2 PRO 12 1HD PRO 12 -6.405 -2.526 -2.382 63 HD3 PRO 12 2HD PRO 12 -7.425 -3.829 -3.027 64 H TYR 13 H TYR 13 -3.553 -3.343 -2.060 65 HA TYR 13 HA TYR 13 -1.241 -2.483 -3.503 66 HB2 TYR 13 1HB TYR 13 -1.381 -2.311 -0.524 67 HB3 TYR 13 2HB TYR 13 -0.785 -1.132 -1.687 68 HD1 TYR 13 HD2 TYR 13 -3.207 -1.101 -3.509 69 HD2 TYR 13 HD1 TYR 13 -2.848 -0.945 0.728 70 HE1 TYR 13 HE2 TYR 13 -5.343 0.112 -3.379 71 HE2 TYR 13 HE1 TYR 13 -4.984 0.267 0.870 72 HH TYR 13 HH TYR 13 -7.188 0.396 -1.538 73 H LYS 14 H LYS 14 0.356 -3.835 -3.981 74 HA LYS 14 HA LYS 14 1.495 -5.468 -1.834 75 HB2 LYS 14 1HB LYS 14 0.094 -7.020 -3.034 76 HB3 LYS 14 2HB LYS 14 0.739 -6.479 -4.578 77 HG2 LYS 14 1HG LYS 14 2.920 -7.391 -4.006 78 HG3 LYS 14 2HG LYS 14 2.303 -7.902 -2.433 79 HD2 LYS 14 1HD LYS 14 0.700 -9.380 -3.540 80 HD3 LYS 14 2HD LYS 14 1.303 -8.860 -5.116 81 HE2 LYS 14 1HE LYS 14 3.372 -9.912 -4.793 82 HE3 LYS 14 2HE LYS 14 3.123 -10.063 -3.054 83 HZ1 LYS 14 3HZ LYS 14 1.470 -11.486 -5.063 84 HZ2 LYS 14 1HZ LYS 14 1.515 -11.748 -3.392 85 HZ3 LYS 14 2HZ LYS 14 2.848 -12.160 -4.349 86 H CYS 15 H CYS 15 3.467 -4.629 -1.619 87 HA CYS 15 HA CYS 15 4.903 -3.158 -3.453 88 HB2 CYS 15 1HB CYS 15 5.567 -3.187 -1.144 89 HB3 CYS 15 2HB CYS 15 5.887 -4.917 -1.202 90 H ASN 16 H ASN 16 6.491 -3.586 -4.963 91 HA ASN 16 HA ASN 16 6.507 -6.336 -5.984 92 HB2 ASN 16 1HB ASN 16 7.393 -3.785 -7.351 93 HB3 ASN 16 2HB ASN 16 7.266 -5.375 -8.097 94 HD21 ASN 16 1HD2 ASN 16 5.953 -3.675 -9.449 95 HD22 ASN 16 2HD2 ASN 16 4.255 -3.681 -9.130 96 H GLU 17 H GLU 17 8.514 -3.920 -4.553 97 HA GLU 17 HA GLU 17 11.046 -4.705 -5.406 98 HB2 GLU 17 1HB GLU 17 10.230 -2.736 -3.849 99 HB3 GLU 17 2HB GLU 17 10.635 -3.869 -2.567 100 HG2 GLU 17 1HG GLU 17 12.485 -2.809 -4.689 101 HG3 GLU 17 2HG GLU 17 12.498 -2.413 -2.971 102 H CYS 18 H CYS 18 9.099 -5.895 -2.692 103 HA CYS 18 HA CYS 18 10.907 -8.217 -2.528 104 HB2 CYS 18 1HB CYS 18 10.410 -8.344 -0.124 105 HB3 CYS 18 2HB CYS 18 11.157 -6.806 -0.545 106 H GLY 19 H GLY 19 7.593 -7.050 -2.036 107 HA2 GLY 19 1HA GLY 19 5.827 -8.353 -3.156 108 HA3 GLY 19 2HA GLY 19 6.661 -9.797 -2.602 109 H LYS 20 H LYS 20 5.945 -6.833 -0.801 110 HA LYS 20 HA LYS 20 4.637 -8.463 1.242 111 HB2 LYS 20 1HB LYS 20 6.476 -6.585 1.584 112 HB3 LYS 20 2HB LYS 20 5.071 -5.527 1.565 113 HG2 LYS 20 1HG LYS 20 5.188 -5.939 3.791 114 HG3 LYS 20 2HG LYS 20 4.168 -7.298 3.312 115 HD2 LYS 20 1HD LYS 20 7.122 -7.660 3.265 116 HD3 LYS 20 2HD LYS 20 6.306 -7.637 4.830 117 HE2 LYS 20 1HE LYS 20 6.181 -9.869 4.358 118 HE3 LYS 20 2HE LYS 20 4.680 -9.322 3.614 119 HZ1 LYS 20 3HZ LYS 20 6.454 -9.016 1.615 120 HZ2 LYS 20 1HZ LYS 20 5.460 -10.370 1.819 121 HZ3 LYS 20 2HZ LYS 20 7.054 -10.398 2.384 122 H VAL 21 H VAL 21 2.609 -7.829 2.165 123 HA VAL 21 HA VAL 21 0.930 -6.213 0.359 124 HB VAL 21 HB VAL 21 0.144 -8.760 1.781 125 HG11 VAL 21 1HG1 VAL 21 -1.439 -6.585 0.563 126 HG12 VAL 21 2HG1 VAL 21 -1.934 -8.232 0.169 127 HG13 VAL 21 3HG1 VAL 21 -1.859 -7.712 1.853 128 HG21 VAL 21 3HG2 VAL 21 1.530 -8.915 -0.337 129 HG22 VAL 21 1HG2 VAL 21 -0.017 -9.763 -0.350 130 HG23 VAL 21 2HG2 VAL 21 0.147 -8.214 -1.178 131 H PHE 22 H PHE 22 -0.405 -4.751 1.288 132 HA PHE 22 HA PHE 22 -0.696 -4.792 4.211 133 HB2 PHE 22 1HB PHE 22 -0.200 -2.236 2.693 134 HB3 PHE 22 2HB PHE 22 -0.146 -2.498 4.433 135 HD1 PHE 22 HD1 PHE 22 1.604 -3.131 1.253 136 HD2 PHE 22 HD2 PHE 22 1.823 -3.259 5.502 137 HE1 PHE 22 HE1 PHE 22 4.031 -3.515 1.113 138 HE2 PHE 22 HE2 PHE 22 4.250 -3.642 5.369 139 HZ PHE 22 HZ PHE 22 5.357 -3.769 3.173 140 H THR 23 H THR 23 -2.537 -3.643 5.017 141 HA THR 23 HA THR 23 -4.798 -3.818 3.228 142 HB THR 23 HB THR 23 -4.703 -2.985 6.134 143 HG1 THR 23 HG1 THR 23 -4.749 -5.061 6.567 144 HG21 THR 23 3HG2 THR 23 -7.151 -3.699 5.999 145 HG22 THR 23 1HG2 THR 23 -6.969 -3.588 4.249 146 HG23 THR 23 2HG2 THR 23 -6.727 -2.158 5.253 147 H GLN 24 H GLN 24 -3.307 -1.267 5.216 148 HA GLN 24 HA GLN 24 -4.910 0.753 3.862 149 HB2 GLN 24 1HB GLN 24 -3.028 0.823 6.210 150 HB3 GLN 24 2HB GLN 24 -3.630 2.297 5.465 151 HG2 GLN 24 1HG GLN 24 -5.022 1.857 7.314 152 HG3 GLN 24 2HG GLN 24 -5.951 1.436 5.876 153 HE21 GLN 24 1HE2 GLN 24 -7.285 -0.074 6.685 154 HE22 GLN 24 2HE2 GLN 24 -6.767 -1.559 7.399 155 H ASN 25 H ASN 25 -3.995 2.549 2.772 156 HA ASN 25 HA ASN 25 -1.859 1.895 1.043 157 HB2 ASN 25 1HB ASN 25 -3.375 3.390 0.107 158 HB3 ASN 25 2HB ASN 25 -3.461 4.373 1.566 159 HD21 ASN 25 1HD2 ASN 25 -2.371 6.202 1.574 160 HD22 ASN 25 2HD2 ASN 25 -1.085 6.620 0.498 161 H SER 26 H SER 26 -2.081 4.102 3.815 162 HA SER 26 HA SER 26 0.410 5.257 3.745 163 HB2 SER 26 1HB SER 26 -1.277 5.909 5.380 164 HB3 SER 26 2HB SER 26 -1.136 4.347 6.185 165 HG SER 26 HG SER 26 0.102 5.865 7.284 166 H HIS 27 H HIS 27 -0.462 2.019 4.750 167 HA HIS 27 HA HIS 27 2.001 1.358 5.990 168 HB2 HIS 27 1HB HIS 27 -0.006 -0.499 4.697 169 HB3 HIS 27 2HB HIS 27 1.235 -0.953 5.861 170 HD1 HIS 27 HD1 HIS 27 -0.839 -1.879 7.274 171 HD2 HIS 27 HD2 HIS 27 -0.621 2.248 6.852 172 HE1 HIS 27 HE1 HIS 27 -2.367 -0.941 9.038 173 H LEU 28 H LEU 28 0.818 1.176 2.688 174 HA LEU 28 HA LEU 28 3.048 -0.335 1.710 175 HB2 LEU 28 1HB LEU 28 1.034 -0.541 0.502 176 HB3 LEU 28 2HB LEU 28 0.834 1.206 0.389 177 HG LEU 28 HG LEU 28 2.887 1.209 -1.097 178 HD11 LEU 28 1HD1 LEU 28 2.476 -1.721 -0.734 179 HD12 LEU 28 2HD1 LEU 28 3.973 -0.793 -0.801 180 HD13 LEU 28 3HD1 LEU 28 3.067 -1.112 -2.280 181 HD21 LEU 28 3HD2 LEU 28 1.418 1.352 -2.757 182 HD22 LEU 28 1HD2 LEU 28 0.187 0.752 -1.646 183 HD23 LEU 28 2HD2 LEU 28 1.072 -0.376 -2.673 184 H THR 29 H THR 29 1.996 2.972 0.882 185 HA THR 29 HA THR 29 4.279 3.849 -0.349 186 HB THR 29 HB THR 29 2.285 5.219 -0.318 187 HG1 THR 29 HG1 THR 29 3.433 7.235 0.608 188 HG21 THR 29 3HG2 THR 29 2.151 4.642 2.358 189 HG22 THR 29 1HG2 THR 29 1.180 5.859 1.531 190 HG23 THR 29 2HG2 THR 29 2.662 6.330 2.364 191 H ASN 30 H ASN 30 3.759 3.313 3.038 192 HA ASN 30 HA ASN 30 6.105 4.800 3.852 193 HB2 ASN 30 1HB ASN 30 4.130 4.694 5.320 194 HB3 ASN 30 2HB ASN 30 4.315 2.947 5.442 195 HD21 ASN 30 1HD2 ASN 30 4.416 5.136 7.453 196 HD22 ASN 30 2HD2 ASN 30 5.915 4.909 8.283 197 H HIS 31 H HIS 31 5.200 1.485 3.198 198 HA HIS 31 HA HIS 31 7.397 0.198 4.392 199 HB2 HIS 31 1HB HIS 31 5.563 -1.165 3.779 200 HB3 HIS 31 2HB HIS 31 5.567 -0.565 2.123 201 HD1 HIS 31 HD1 HIS 31 7.438 -2.892 4.412 202 HD2 HIS 31 HD2 HIS 31 7.237 -1.912 0.380 203 HE1 HIS 31 HE1 HIS 31 8.792 -4.648 3.225 204 H TRP 32 H TRP 32 6.873 1.081 0.976 205 HA TRP 32 HA TRP 32 9.141 0.294 -0.219 206 HB2 TRP 32 1HB TRP 32 7.498 2.761 -0.522 207 HB3 TRP 32 2HB TRP 32 9.037 2.692 -1.375 208 HD1 TRP 32 HD1 TRP 32 5.828 0.526 -1.056 209 HE1 TRP 32 HE1 TRP 32 5.398 -0.585 -3.338 210 HE3 TRP 32 HE3 TRP 32 9.950 2.210 -3.568 211 HZ2 TRP 32 HZ2 TRP 32 6.643 -0.729 -5.867 212 HZ3 TRP 32 HZ3 TRP 32 10.256 1.539 -5.915 213 HH2 TRP 32 HH2 TRP 32 8.636 0.100 -7.039 214 H ARG 33 H ARG 33 8.908 2.773 2.209 215 HA ARG 33 HA ARG 33 11.203 4.228 1.896 216 HB2 ARG 33 1HB ARG 33 9.925 3.190 4.425 217 HB3 ARG 33 2HB ARG 33 11.263 4.331 4.430 218 HG2 ARG 33 1HG ARG 33 9.813 5.824 2.988 219 HG3 ARG 33 2HG ARG 33 8.480 4.738 3.384 220 HD2 ARG 33 1HD ARG 33 8.385 6.532 4.932 221 HD3 ARG 33 2HD ARG 33 9.015 5.137 5.807 222 HE ARG 33 HE ARG 33 10.934 6.309 6.175 223 HH11 ARG 33 1HH1 ARG 33 9.273 7.726 3.464 224 HH12 ARG 33 2HH1 ARG 33 10.381 9.048 3.309 225 HH21 ARG 33 1HH2 ARG 33 12.400 8.045 5.981 226 HH22 ARG 33 2HH2 ARG 33 12.160 9.228 4.741 227 H ILE 34 H ILE 34 10.937 1.158 3.690 228 HA ILE 34 HA ILE 34 13.613 0.864 4.364 229 HB ILE 34 HB ILE 34 13.190 -1.498 4.642 230 HG12 ILE 34 1HG1 ILE 34 10.441 -1.280 3.499 231 HG13 ILE 34 2HG1 ILE 34 11.792 -1.463 2.385 232 HG21 ILE 34 1HG2 ILE 34 12.272 -0.519 6.472 233 HG22 ILE 34 2HG2 ILE 34 11.176 0.484 5.524 234 HG23 ILE 34 3HG2 ILE 34 10.803 -1.218 5.792 235 HD11 ILE 34 3HD1 ILE 34 12.336 -3.415 4.175 236 HD12 ILE 34 1HD1 ILE 34 10.573 -3.400 4.211 237 HD13 ILE 34 2HD1 ILE 34 11.422 -3.647 2.685 238 H HIS 35 H HIS 35 12.074 0.532 1.302 239 HA HIS 35 HA HIS 35 14.272 -0.979 0.143 240 HB2 HIS 35 1HB HIS 35 11.688 0.089 -0.993 241 HB3 HIS 35 2HB HIS 35 12.915 -0.695 -1.984 242 HD1 HIS 35 HD1 HIS 35 13.647 -3.037 -0.119 243 HD2 HIS 35 HD2 HIS 35 9.758 -1.833 -0.950 244 HE1 HIS 35 HE1 HIS 35 12.210 -5.052 0.325 245 H THR 36 H THR 36 12.929 2.276 0.081 246 HA THR 36 HA THR 36 15.435 3.223 -1.111 247 HB THR 36 HB THR 36 14.133 3.281 -3.043 248 HG1 THR 36 HG1 THR 36 13.904 5.455 -3.421 249 HG21 THR 36 3HG2 THR 36 11.989 2.662 -2.352 250 HG22 THR 36 1HG2 THR 36 11.767 4.305 -2.954 251 HG23 THR 36 2HG2 THR 36 11.864 4.007 -1.218 252 H GLY 37 H GLY 37 16.263 4.464 0.449 253 HA2 GLY 37 1HA GLY 37 14.473 6.447 1.711 254 HA3 GLY 37 2HA GLY 37 15.685 5.572 2.635 255 H GLU 38 H GLU 38 15.054 8.236 0.564 256 HA GLU 38 HA GLU 38 16.447 9.788 -0.440 257 HB2 GLU 38 1HB GLU 38 17.609 11.096 1.228 258 HB3 GLU 38 2HB GLU 38 16.078 10.543 1.892 259 HG2 GLU 38 1HG GLU 38 17.083 9.067 3.346 260 HG3 GLU 38 2HG GLU 38 18.558 8.964 2.386 261 H LYS 39 H LYS 39 17.402 7.247 -1.059 262 HA LYS 39 HA LYS 39 20.294 7.763 -1.136 263 HB2 LYS 39 1HB LYS 39 19.567 5.936 0.528 264 HB3 LYS 39 2HB LYS 39 19.189 4.975 -0.895 265 HG2 LYS 39 1HG LYS 39 21.548 5.303 -1.646 266 HG3 LYS 39 2HG LYS 39 21.874 6.062 -0.086 267 HD2 LYS 39 1HD LYS 39 21.266 4.027 1.073 268 HD3 LYS 39 2HD LYS 39 20.798 3.266 -0.449 269 HE2 LYS 39 1HE LYS 39 22.953 2.441 0.078 270 HE3 LYS 39 2HE LYS 39 23.173 3.616 -1.218 271 HZ1 LYS 39 3HZ LYS 39 23.962 5.218 0.318 272 HZ2 LYS 39 1HZ LYS 39 24.796 3.783 0.649 273 HZ3 LYS 39 2HZ LYS 39 23.526 4.274 1.652 274 HA PRO 40 HA PRO 40 18.291 6.849 -5.309 275 HB2 PRO 40 1HB PRO 40 18.834 9.253 -6.447 276 HB3 PRO 40 2HB PRO 40 17.347 8.930 -5.548 277 HG2 PRO 40 1HG PRO 40 19.845 10.311 -4.644 278 HG3 PRO 40 2HG PRO 40 18.153 10.757 -4.355 279 HD2 PRO 40 1HD PRO 40 19.665 9.495 -2.497 280 HD3 PRO 40 2HD PRO 40 17.914 9.237 -2.639 281 H SER 41 H SER 41 19.817 5.467 -6.060 282 HA SER 41 HA SER 41 22.579 5.946 -6.145 283 HB2 SER 41 1HB SER 41 20.870 4.045 -7.764 284 HB3 SER 41 2HB SER 41 22.633 4.020 -7.749 285 HG SER 41 HG SER 41 22.446 3.733 -5.426 286 H GLY 42 H GLY 42 23.768 7.200 -7.418 287 HA2 GLY 42 1HA GLY 42 23.875 7.447 -10.084 288 HA3 GLY 42 2HA GLY 42 22.528 8.506 -9.697 289 HA PRO 43 HA PRO 43 25.424 11.759 -9.127 290 HB2 PRO 43 1HB PRO 43 23.931 13.412 -7.574 291 HB3 PRO 43 2HB PRO 43 23.633 13.187 -9.302 292 HG2 PRO 43 1HG PRO 43 22.243 11.941 -6.962 293 HG3 PRO 43 2HG PRO 43 21.548 12.606 -8.451 294 HD2 PRO 43 1HD PRO 43 21.902 9.949 -8.070 295 HD3 PRO 43 2HD PRO 43 22.023 10.708 -9.670 296 H SER 44 H SER 44 26.275 13.191 -7.263 297 HA SER 44 HA SER 44 27.551 11.575 -5.388 298 HB2 SER 44 1HB SER 44 28.494 13.712 -5.962 299 HB3 SER 44 2HB SER 44 27.058 14.560 -5.387 300 HG SER 44 HG SER 44 28.755 14.617 -3.855 301 H SER 45 H SER 45 27.291 11.292 -3.158 302 HA SER 45 HA SER 45 24.790 12.199 -1.950 303 HB2 SER 45 1HB SER 45 24.182 9.965 -1.197 304 HB3 SER 45 2HB SER 45 24.322 9.974 -2.954 305 HG SER 45 HG SER 45 25.365 8.168 -1.936 306 H GLY 46 H GLY 46 24.728 11.732 0.416 307 HA2 GLY 46 1HA GLY 46 27.038 12.681 1.683 308 HA3 GLY 46 2HA GLY 46 25.673 11.932 2.497 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -2.385 -33.794 4.508 2 HA2 GLY 1 1HA GLY 1 -4.443 -32.304 3.972 3 HA3 GLY 1 2HA GLY 1 -4.591 -32.280 5.723 4 H SER 2 H SER 2 -3.460 -30.812 6.851 5 HA SER 2 HA SER 2 -2.217 -28.946 7.254 6 HB2 SER 2 1HB SER 2 -0.451 -30.784 6.895 7 HB3 SER 2 2HB SER 2 -0.190 -30.049 5.314 8 HG SER 2 HG SER 2 0.074 -28.779 7.839 9 H SER 3 H SER 3 -4.159 -28.592 5.303 10 HA SER 3 HA SER 3 -2.855 -26.608 3.563 11 HB2 SER 3 1HB SER 3 -4.410 -27.152 1.763 12 HB3 SER 3 2HB SER 3 -3.520 -28.597 2.240 13 HG SER 3 HG SER 3 -5.845 -28.864 1.976 14 H GLY 4 H GLY 4 -4.178 -24.793 2.969 15 HA2 GLY 4 1HA GLY 4 -6.735 -24.181 3.602 16 HA3 GLY 4 2HA GLY 4 -5.906 -23.978 5.138 17 H SER 5 H SER 5 -6.971 -21.766 4.507 18 HA SER 5 HA SER 5 -4.777 -20.085 3.593 19 HB2 SER 5 1HB SER 5 -6.459 -20.701 1.667 20 HB3 SER 5 2HB SER 5 -7.481 -19.494 2.446 21 HG SER 5 HG SER 5 -5.271 -19.154 0.901 22 H SER 6 H SER 6 -5.569 -17.670 3.765 23 HA SER 6 HA SER 6 -7.533 -17.156 5.796 24 HB2 SER 6 1HB SER 6 -5.685 -17.927 7.211 25 HB3 SER 6 2HB SER 6 -4.607 -16.748 6.462 26 HG SER 6 HG SER 6 -5.929 -16.323 8.581 27 H GLY 7 H GLY 7 -8.042 -14.960 5.995 28 HA2 GLY 7 1HA GLY 7 -7.889 -12.677 5.521 29 HA3 GLY 7 2HA GLY 7 -6.464 -12.999 4.545 30 H SER 8 H SER 8 -9.950 -12.882 4.595 31 HA SER 8 HA SER 8 -10.120 -13.497 1.752 32 HB2 SER 8 1HB SER 8 -12.274 -12.870 3.785 33 HB3 SER 8 2HB SER 8 -12.573 -13.312 2.104 34 HG SER 8 HG SER 8 -11.279 -14.907 4.065 35 H GLY 9 H GLY 9 -11.533 -12.047 0.392 36 HA2 GLY 9 1HA GLY 9 -12.382 -9.831 -0.026 37 HA3 GLY 9 2HA GLY 9 -11.211 -9.213 1.129 38 H GLU 10 H GLU 10 -10.194 -7.760 -0.186 39 HA GLU 10 HA GLU 10 -8.519 -8.923 -2.288 40 HB2 GLU 10 1HB GLU 10 -10.220 -6.448 -2.630 41 HB3 GLU 10 2HB GLU 10 -8.989 -6.984 -3.765 42 HG2 GLU 10 1HG GLU 10 -11.313 -8.715 -2.991 43 HG3 GLU 10 2HG GLU 10 -11.400 -7.548 -4.310 44 H LYS 11 H LYS 11 -6.475 -8.213 -2.237 45 HA LYS 11 HA LYS 11 -5.888 -5.786 -0.674 46 HB2 LYS 11 1HB LYS 11 -4.160 -8.262 -0.771 47 HB3 LYS 11 2HB LYS 11 -3.907 -6.832 0.221 48 HG2 LYS 11 1HG LYS 11 -5.661 -7.364 1.654 49 HG3 LYS 11 2HG LYS 11 -6.391 -8.480 0.497 50 HD2 LYS 11 1HD LYS 11 -4.249 -9.860 0.767 51 HD3 LYS 11 2HD LYS 11 -3.940 -8.866 2.192 52 HE2 LYS 11 1HE LYS 11 -5.049 -10.919 2.838 53 HE3 LYS 11 2HE LYS 11 -6.120 -9.545 3.110 54 HZ1 LYS 11 3HZ LYS 11 -7.620 -10.621 1.908 55 HZ2 LYS 11 1HZ LYS 11 -6.513 -11.820 1.461 56 HZ3 LYS 11 2HZ LYS 11 -6.642 -10.403 0.546 57 HA PRO 12 HA PRO 12 -4.155 -5.383 -4.959 58 HB2 PRO 12 1HB PRO 12 -4.974 -2.816 -5.297 59 HB3 PRO 12 2HB PRO 12 -5.999 -4.208 -5.667 60 HG2 PRO 12 1HG PRO 12 -5.982 -2.462 -3.235 61 HG3 PRO 12 2HG PRO 12 -7.364 -3.091 -4.151 62 HD2 PRO 12 1HD PRO 12 -6.525 -4.205 -1.830 63 HD3 PRO 12 2HD PRO 12 -7.254 -5.159 -3.137 64 H TYR 13 H TYR 13 -3.744 -3.892 -1.924 65 HA TYR 13 HA TYR 13 -1.611 -2.122 -2.783 66 HB2 TYR 13 1HB TYR 13 -2.833 -2.735 -0.095 67 HB3 TYR 13 2HB TYR 13 -1.418 -1.705 -0.275 68 HD1 TYR 13 HD1 TYR 13 -3.792 -1.534 -2.974 69 HD2 TYR 13 HD2 TYR 13 -2.833 0.047 0.858 70 HE1 TYR 13 HE1 TYR 13 -5.255 0.395 -3.410 71 HE2 TYR 13 HE2 TYR 13 -4.294 1.979 0.433 72 HH TYR 13 HH TYR 13 -5.325 3.158 -1.311 73 H LYS 14 H LYS 14 -0.126 -3.640 -3.624 74 HA LYS 14 HA LYS 14 1.334 -5.127 -1.544 75 HB2 LYS 14 1HB LYS 14 -0.019 -6.575 -3.143 76 HB3 LYS 14 2HB LYS 14 1.086 -6.048 -4.405 77 HG2 LYS 14 1HG LYS 14 2.964 -6.985 -3.125 78 HG3 LYS 14 2HG LYS 14 1.823 -7.560 -1.907 79 HD2 LYS 14 1HD LYS 14 0.676 -8.847 -3.733 80 HD3 LYS 14 2HD LYS 14 2.017 -8.408 -4.793 81 HE2 LYS 14 1HE LYS 14 3.549 -9.673 -3.579 82 HE3 LYS 14 2HE LYS 14 2.521 -9.720 -2.148 83 HZ1 LYS 14 3HZ LYS 14 0.968 -11.131 -3.428 84 HZ2 LYS 14 1HZ LYS 14 2.483 -11.849 -3.197 85 HZ3 LYS 14 2HZ LYS 14 2.086 -11.176 -4.697 86 H CYS 15 H CYS 15 3.618 -5.481 -2.028 87 HA CYS 15 HA CYS 15 4.744 -3.164 -3.414 88 HB2 CYS 15 1HB CYS 15 5.506 -3.460 -1.141 89 HB3 CYS 15 2HB CYS 15 5.957 -5.131 -1.464 90 H ASN 16 H ASN 16 6.651 -3.433 -4.761 91 HA ASN 16 HA ASN 16 6.516 -5.932 -6.303 92 HB2 ASN 16 1HB ASN 16 6.077 -4.216 -7.809 93 HB3 ASN 16 2HB ASN 16 7.191 -3.102 -7.022 94 HD21 ASN 16 1HD2 ASN 16 9.082 -2.798 -7.953 95 HD22 ASN 16 2HD2 ASN 16 9.809 -3.831 -9.132 96 H GLU 17 H GLU 17 8.678 -3.771 -4.593 97 HA GLU 17 HA GLU 17 11.140 -4.778 -5.411 98 HB2 GLU 17 1HB GLU 17 10.600 -2.761 -3.896 99 HB3 GLU 17 2HB GLU 17 10.608 -3.923 -2.578 100 HG2 GLU 17 1HG GLU 17 12.765 -3.246 -2.477 101 HG3 GLU 17 2HG GLU 17 12.942 -4.566 -3.632 102 H CYS 18 H CYS 18 9.290 -5.689 -2.499 103 HA CYS 18 HA CYS 18 10.798 -8.214 -2.431 104 HB2 CYS 18 1HB CYS 18 10.148 -8.358 -0.067 105 HB3 CYS 18 2HB CYS 18 11.000 -6.854 -0.403 106 H GLY 19 H GLY 19 7.532 -6.866 -2.063 107 HA2 GLY 19 1HA GLY 19 5.721 -7.973 -3.276 108 HA3 GLY 19 2HA GLY 19 6.478 -9.506 -2.867 109 H LYS 20 H LYS 20 6.134 -6.851 -0.605 110 HA LYS 20 HA LYS 20 4.699 -8.568 1.217 111 HB2 LYS 20 1HB LYS 20 6.519 -6.727 1.712 112 HB3 LYS 20 2HB LYS 20 5.126 -5.653 1.729 113 HG2 LYS 20 1HG LYS 20 4.107 -6.948 3.499 114 HG3 LYS 20 2HG LYS 20 5.436 -8.108 3.445 115 HD2 LYS 20 1HD LYS 20 6.994 -6.266 4.041 116 HD3 LYS 20 2HD LYS 20 5.601 -5.196 4.218 117 HE2 LYS 20 1HE LYS 20 5.919 -7.769 5.749 118 HE3 LYS 20 2HE LYS 20 6.483 -6.211 6.351 119 HZ1 LYS 20 3HZ LYS 20 3.751 -6.191 5.441 120 HZ2 LYS 20 1HZ LYS 20 4.419 -5.587 6.873 121 HZ3 LYS 20 2HZ LYS 20 4.018 -7.226 6.752 122 H VAL 21 H VAL 21 2.739 -7.754 2.358 123 HA VAL 21 HA VAL 21 0.962 -6.310 0.500 124 HB VAL 21 HB VAL 21 0.276 -8.630 2.307 125 HG11 VAL 21 1HG1 VAL 21 -2.006 -8.404 1.313 126 HG12 VAL 21 2HG1 VAL 21 -1.549 -7.087 2.395 127 HG13 VAL 21 3HG1 VAL 21 -1.502 -6.851 0.648 128 HG21 VAL 21 3HG2 VAL 21 -0.329 -9.752 0.211 129 HG22 VAL 21 1HG2 VAL 21 0.209 -8.338 -0.695 130 HG23 VAL 21 2HG2 VAL 21 1.372 -9.285 0.233 131 H PHE 22 H PHE 22 -0.880 -5.228 1.545 132 HA PHE 22 HA PHE 22 -0.710 -4.682 4.372 133 HB2 PHE 22 1HB PHE 22 -0.411 -2.322 2.524 134 HB3 PHE 22 2HB PHE 22 -0.189 -2.380 4.270 135 HD1 PHE 22 HD1 PHE 22 1.263 -3.456 1.045 136 HD2 PHE 22 HD2 PHE 22 1.905 -2.871 5.212 137 HE1 PHE 22 HE1 PHE 22 3.676 -3.812 0.720 138 HE2 PHE 22 HE2 PHE 22 4.319 -3.225 4.893 139 HZ PHE 22 HZ PHE 22 5.207 -3.696 2.645 140 H THR 23 H THR 23 -2.496 -3.387 5.147 141 HA THR 23 HA THR 23 -4.891 -3.866 3.599 142 HB THR 23 HB THR 23 -5.042 -4.358 5.940 143 HG1 THR 23 HG1 THR 23 -6.752 -2.942 4.729 144 HG21 THR 23 3HG2 THR 23 -4.184 -1.498 6.380 145 HG22 THR 23 1HG2 THR 23 -3.293 -2.954 6.820 146 HG23 THR 23 2HG2 THR 23 -4.800 -2.559 7.646 147 H GLN 24 H GLN 24 -3.121 -1.073 4.868 148 HA GLN 24 HA GLN 24 -4.818 0.670 3.207 149 HB2 GLN 24 1HB GLN 24 -3.261 1.295 5.719 150 HB3 GLN 24 2HB GLN 24 -4.055 2.510 4.727 151 HG2 GLN 24 1HG GLN 24 -5.297 0.343 6.380 152 HG3 GLN 24 2HG GLN 24 -5.533 2.087 6.485 153 HE21 GLN 24 1HE2 GLN 24 -7.063 3.044 5.257 154 HE22 GLN 24 2HE2 GLN 24 -8.114 2.196 4.179 155 H ASN 25 H ASN 25 -3.730 2.571 2.272 156 HA ASN 25 HA ASN 25 -1.482 1.831 0.760 157 HB2 ASN 25 1HB ASN 25 -1.456 4.170 -0.002 158 HB3 ASN 25 2HB ASN 25 -3.089 3.512 -0.010 159 HD21 ASN 25 1HD2 ASN 25 -1.857 6.277 0.285 160 HD22 ASN 25 2HD2 ASN 25 -2.672 6.944 1.654 161 H SER 26 H SER 26 -1.744 4.229 3.388 162 HA SER 26 HA SER 26 0.769 5.136 3.645 163 HB2 SER 26 1HB SER 26 -1.154 4.270 5.797 164 HB3 SER 26 2HB SER 26 0.397 5.010 6.192 165 HG SER 26 HG SER 26 -0.759 6.774 5.975 166 H HIS 27 H HIS 27 -0.337 2.029 4.981 167 HA HIS 27 HA HIS 27 2.099 1.214 6.078 168 HB2 HIS 27 1HB HIS 27 -0.111 -0.496 4.918 169 HB3 HIS 27 2HB HIS 27 1.175 -1.074 5.974 170 HD1 HIS 27 HD1 HIS 27 -0.829 -1.823 7.568 171 HD2 HIS 27 HD2 HIS 27 -0.314 2.274 7.109 172 HE1 HIS 27 HE1 HIS 27 -2.119 -0.768 9.451 173 H LEU 28 H LEU 28 0.794 0.815 2.820 174 HA LEU 28 HA LEU 28 2.996 -0.779 1.907 175 HB2 LEU 28 1HB LEU 28 0.935 -1.109 0.806 176 HB3 LEU 28 2HB LEU 28 0.722 0.618 0.527 177 HG LEU 28 HG LEU 28 2.635 0.528 -1.069 178 HD11 LEU 28 1HD1 LEU 28 2.682 -2.246 -0.110 179 HD12 LEU 28 2HD1 LEU 28 3.970 -1.255 -0.794 180 HD13 LEU 28 3HD1 LEU 28 2.814 -2.056 -1.858 181 HD21 LEU 28 3HD2 LEU 28 0.184 0.315 -1.687 182 HD22 LEU 28 1HD2 LEU 28 0.476 -1.419 -1.834 183 HD23 LEU 28 2HD2 LEU 28 1.349 -0.287 -2.867 184 H THR 29 H THR 29 1.887 2.455 0.881 185 HA THR 29 HA THR 29 4.075 3.234 -0.564 186 HB THR 29 HB THR 29 2.062 4.601 -0.444 187 HG1 THR 29 HG1 THR 29 3.442 6.078 -1.063 188 HG21 THR 29 3HG2 THR 29 2.875 5.751 2.182 189 HG22 THR 29 1HG2 THR 29 1.990 4.226 2.169 190 HG23 THR 29 2HG2 THR 29 1.280 5.664 1.435 191 H ASN 30 H ASN 30 3.626 3.509 2.943 192 HA ASN 30 HA ASN 30 6.061 4.849 3.457 193 HB2 ASN 30 1HB ASN 30 4.069 4.675 5.013 194 HB3 ASN 30 2HB ASN 30 4.596 3.034 5.376 195 HD21 ASN 30 1HD2 ASN 30 5.278 6.413 5.738 196 HD22 ASN 30 2HD2 ASN 30 6.492 6.248 6.955 197 H HIS 31 H HIS 31 5.158 1.420 3.548 198 HA HIS 31 HA HIS 31 7.418 0.273 4.564 199 HB2 HIS 31 1HB HIS 31 5.823 -1.307 4.088 200 HB3 HIS 31 2HB HIS 31 5.419 -0.587 2.532 201 HD1 HIS 31 HD1 HIS 31 8.014 -2.807 4.141 202 HD2 HIS 31 HD2 HIS 31 6.682 -1.704 0.364 203 HE1 HIS 31 HE1 HIS 31 9.191 -4.346 2.538 204 H TRP 32 H TRP 32 6.887 1.220 1.179 205 HA TRP 32 HA TRP 32 9.141 0.338 -0.040 206 HB2 TRP 32 1HB TRP 32 7.515 2.818 -0.365 207 HB3 TRP 32 2HB TRP 32 9.039 2.707 -1.240 208 HD1 TRP 32 HD1 TRP 32 5.796 0.609 -0.829 209 HE1 TRP 32 HE1 TRP 32 5.315 -0.546 -3.078 210 HE3 TRP 32 HE3 TRP 32 9.917 2.151 -3.432 211 HZ2 TRP 32 HZ2 TRP 32 6.522 -0.774 -5.620 212 HZ3 TRP 32 HZ3 TRP 32 10.179 1.420 -5.767 213 HH2 TRP 32 HH2 TRP 32 8.516 -0.013 -6.836 214 H ARG 33 H ARG 33 8.924 2.872 2.339 215 HA ARG 33 HA ARG 33 11.193 4.334 2.016 216 HB2 ARG 33 1HB ARG 33 9.840 3.295 4.483 217 HB3 ARG 33 2HB ARG 33 11.325 4.228 4.619 218 HG2 ARG 33 1HG ARG 33 10.027 5.911 3.076 219 HG3 ARG 33 2HG ARG 33 8.618 5.085 3.743 220 HD2 ARG 33 1HD ARG 33 10.821 6.354 5.366 221 HD3 ARG 33 2HD ARG 33 9.255 7.091 5.032 222 HE ARG 33 HE ARG 33 8.543 4.770 6.164 223 HH11 ARG 33 1HH1 ARG 33 10.860 7.194 7.099 224 HH12 ARG 33 2HH1 ARG 33 10.685 6.894 8.796 225 HH21 ARG 33 1HH2 ARG 33 8.303 4.365 8.396 226 HH22 ARG 33 2HH2 ARG 33 9.231 5.284 9.533 227 H ILE 34 H ILE 34 11.032 1.248 3.796 228 HA ILE 34 HA ILE 34 13.749 1.003 4.348 229 HB ILE 34 HB ILE 34 13.366 -1.349 4.708 230 HG12 ILE 34 1HG1 ILE 34 10.561 -1.239 3.722 231 HG13 ILE 34 2HG1 ILE 34 11.836 -1.350 2.513 232 HG21 ILE 34 1HG2 ILE 34 11.028 0.365 5.524 233 HG22 ILE 34 2HG2 ILE 34 11.359 -1.235 6.185 234 HG23 ILE 34 3HG2 ILE 34 12.513 0.075 6.430 235 HD11 ILE 34 3HD1 ILE 34 10.900 -3.533 3.178 236 HD12 ILE 34 1HD1 ILE 34 12.634 -3.398 3.469 237 HD13 ILE 34 2HD1 ILE 34 11.500 -3.258 4.813 238 H HIS 35 H HIS 35 12.028 0.548 1.390 239 HA HIS 35 HA HIS 35 14.159 -0.969 0.137 240 HB2 HIS 35 1HB HIS 35 11.499 0.075 -0.810 241 HB3 HIS 35 2HB HIS 35 12.675 -0.598 -1.936 242 HD1 HIS 35 HD1 HIS 35 13.613 -2.931 0.000 243 HD2 HIS 35 HD2 HIS 35 9.690 -2.001 -1.000 244 HE1 HIS 35 HE1 HIS 35 12.306 -5.047 0.369 245 H THR 36 H THR 36 12.869 2.307 0.112 246 HA THR 36 HA THR 36 14.684 3.185 -1.956 247 HB THR 36 HB THR 36 13.790 5.482 -1.340 248 HG1 THR 36 HG1 THR 36 11.783 4.087 0.079 249 HG21 THR 36 3HG2 THR 36 11.507 3.650 -1.947 250 HG22 THR 36 1HG2 THR 36 12.855 3.765 -3.078 251 HG23 THR 36 2HG2 THR 36 11.920 5.204 -2.670 252 H GLY 37 H GLY 37 16.786 3.281 -1.436 253 HA2 GLY 37 1HA GLY 37 18.483 4.711 -0.463 254 HA3 GLY 37 2HA GLY 37 17.504 4.791 0.994 255 H GLU 38 H GLU 38 18.324 1.915 -0.893 256 HA GLU 38 HA GLU 38 20.314 1.051 1.000 257 HB2 GLU 38 1HB GLU 38 18.208 0.509 2.182 258 HB3 GLU 38 2HB GLU 38 17.710 -0.473 0.812 259 HG2 GLU 38 1HG GLU 38 18.532 -2.017 2.330 260 HG3 GLU 38 2HG GLU 38 19.871 -1.784 1.207 261 H LYS 39 H LYS 39 21.411 -0.867 0.341 262 HA LYS 39 HA LYS 39 22.474 -2.099 -1.259 263 HB2 LYS 39 1HB LYS 39 20.195 -3.263 -0.887 264 HB3 LYS 39 2HB LYS 39 19.762 -2.600 -2.457 265 HG2 LYS 39 1HG LYS 39 21.762 -3.742 -3.411 266 HG3 LYS 39 2HG LYS 39 21.996 -4.520 -1.844 267 HD2 LYS 39 1HD LYS 39 20.106 -5.823 -2.060 268 HD3 LYS 39 2HD LYS 39 19.335 -4.703 -3.186 269 HE2 LYS 39 1HE LYS 39 21.049 -5.342 -4.881 270 HE3 LYS 39 2HE LYS 39 21.638 -6.564 -3.756 271 HZ1 LYS 39 3HZ LYS 39 19.237 -6.550 -5.385 272 HZ2 LYS 39 1HZ LYS 39 19.045 -7.151 -3.815 273 HZ3 LYS 39 2HZ LYS 39 20.180 -7.851 -4.855 274 HA PRO 40 HA PRO 40 21.805 1.324 -4.450 275 HB2 PRO 40 1HB PRO 40 24.129 2.651 -3.992 276 HB3 PRO 40 2HB PRO 40 22.627 3.021 -3.137 277 HG2 PRO 40 1HG PRO 40 24.960 1.374 -2.240 278 HG3 PRO 40 2HG PRO 40 24.022 2.572 -1.331 279 HD2 PRO 40 1HD PRO 40 23.629 -0.093 -1.064 280 HD3 PRO 40 2HD PRO 40 22.314 1.088 -0.892 281 H SER 41 H SER 41 22.728 1.284 -6.468 282 HA SER 41 HA SER 41 24.043 0.616 -8.206 283 HB2 SER 41 1HB SER 41 25.892 1.279 -6.483 284 HB3 SER 41 2HB SER 41 26.113 -0.462 -6.317 285 HG SER 41 HG SER 41 27.465 0.486 -7.935 286 H GLY 42 H GLY 42 22.033 -1.054 -7.367 287 HA2 GLY 42 1HA GLY 42 23.060 -3.751 -7.107 288 HA3 GLY 42 2HA GLY 42 21.369 -3.279 -7.186 289 HA PRO 43 HA PRO 43 22.372 -5.353 -11.177 290 HB2 PRO 43 1HB PRO 43 20.018 -6.698 -11.320 291 HB3 PRO 43 2HB PRO 43 21.421 -7.308 -10.435 292 HG2 PRO 43 1HG PRO 43 18.997 -5.890 -9.399 293 HG3 PRO 43 2HG PRO 43 19.838 -7.301 -8.732 294 HD2 PRO 43 1HD PRO 43 20.188 -4.800 -7.754 295 HD3 PRO 43 2HD PRO 43 21.482 -6.016 -7.751 296 H SER 44 H SER 44 20.347 -2.959 -10.114 297 HA SER 44 HA SER 44 18.364 -2.651 -11.998 298 HB2 SER 44 1HB SER 44 19.101 -1.173 -9.924 299 HB3 SER 44 2HB SER 44 19.894 -0.219 -11.177 300 HG SER 44 HG SER 44 17.525 -0.682 -12.116 301 H SER 45 H SER 45 18.197 -1.719 -14.018 302 HA SER 45 HA SER 45 20.556 -1.885 -15.657 303 HB2 SER 45 1HB SER 45 18.976 -1.282 -17.508 304 HB3 SER 45 2HB SER 45 18.479 -2.698 -16.581 305 HG SER 45 HG SER 45 16.868 -1.573 -15.686 306 H GLY 46 H GLY 46 21.902 -0.218 -14.943 307 HA2 GLY 46 1HA GLY 46 22.824 1.877 -15.325 308 HA3 GLY 46 2HA GLY 46 21.337 2.350 -16.134 Start of MODEL 19 1 H1 GLY 1 H GLY 1 2.500 -34.713 10.889 2 HA2 GLY 1 1HA GLY 1 1.740 -33.016 12.655 3 HA3 GLY 1 2HA GLY 1 2.674 -31.882 11.692 4 H SER 2 H SER 2 1.066 -30.566 10.986 5 HA SER 2 HA SER 2 -0.814 -31.746 9.077 6 HB2 SER 2 1HB SER 2 -2.044 -31.527 11.203 7 HB3 SER 2 2HB SER 2 -1.637 -29.812 11.258 8 HG SER 2 HG SER 2 -2.732 -29.716 9.138 9 H SER 3 H SER 3 -0.484 -30.755 7.211 10 HA SER 3 HA SER 3 0.782 -28.171 7.083 11 HB2 SER 3 1HB SER 3 0.894 -28.518 4.721 12 HB3 SER 3 2HB SER 3 1.214 -30.081 5.471 13 HG SER 3 HG SER 3 -0.551 -30.845 4.615 14 H GLY 4 H GLY 4 -0.095 -26.250 6.379 15 HA2 GLY 4 1HA GLY 4 -2.778 -26.058 5.388 16 HA3 GLY 4 2HA GLY 4 -2.657 -25.565 7.070 17 H SER 5 H SER 5 -2.630 -23.431 7.221 18 HA SER 5 HA SER 5 -2.380 -21.229 6.615 19 HB2 SER 5 1HB SER 5 -0.068 -20.536 6.549 20 HB3 SER 5 2HB SER 5 -0.207 -21.875 7.688 21 HG SER 5 HG SER 5 1.329 -22.716 6.526 22 H SER 6 H SER 6 -3.478 -22.622 4.504 23 HA SER 6 HA SER 6 -2.131 -22.435 2.061 24 HB2 SER 6 1HB SER 6 -4.438 -23.535 2.715 25 HB3 SER 6 2HB SER 6 -5.088 -21.985 2.180 26 HG SER 6 HG SER 6 -4.811 -23.771 0.569 27 H GLY 7 H GLY 7 -3.194 -20.970 0.234 28 HA2 GLY 7 1HA GLY 7 -2.980 -18.197 1.228 29 HA3 GLY 7 2HA GLY 7 -2.442 -18.724 -0.359 30 H SER 8 H SER 8 -4.908 -17.253 1.346 31 HA SER 8 HA SER 8 -6.650 -17.370 -1.002 32 HB2 SER 8 1HB SER 8 -7.315 -19.017 0.936 33 HB3 SER 8 2HB SER 8 -7.925 -17.552 1.705 34 HG SER 8 HG SER 8 -8.897 -17.320 -0.607 35 H GLY 9 H GLY 9 -6.789 -15.320 -1.631 36 HA2 GLY 9 1HA GLY 9 -7.960 -13.211 -1.151 37 HA3 GLY 9 2HA GLY 9 -7.232 -13.267 0.448 38 H GLU 10 H GLU 10 -7.112 -11.215 -1.695 39 HA GLU 10 HA GLU 10 -4.226 -10.843 -1.621 40 HB2 GLU 10 1HB GLU 10 -5.787 -10.731 -4.208 41 HB3 GLU 10 2HB GLU 10 -4.093 -10.305 -4.012 42 HG2 GLU 10 1HG GLU 10 -3.633 -12.633 -3.314 43 HG3 GLU 10 2HG GLU 10 -5.317 -13.030 -3.655 44 H LYS 11 H LYS 11 -3.955 -8.903 -0.760 45 HA LYS 11 HA LYS 11 -6.012 -6.924 -0.736 46 HB2 LYS 11 1HB LYS 11 -3.245 -7.160 0.332 47 HB3 LYS 11 2HB LYS 11 -3.902 -5.539 0.144 48 HG2 LYS 11 1HG LYS 11 -4.536 -5.988 2.285 49 HG3 LYS 11 2HG LYS 11 -5.955 -6.575 1.415 50 HD2 LYS 11 1HD LYS 11 -3.702 -8.455 1.954 51 HD3 LYS 11 2HD LYS 11 -4.810 -8.044 3.265 52 HE2 LYS 11 1HE LYS 11 -6.626 -8.590 1.429 53 HE3 LYS 11 2HE LYS 11 -5.312 -9.541 0.741 54 HZ1 LYS 11 3HZ LYS 11 -5.197 -10.292 3.294 55 HZ2 LYS 11 1HZ LYS 11 -6.107 -11.104 2.121 56 HZ3 LYS 11 2HZ LYS 11 -6.856 -9.992 3.153 57 HA PRO 12 HA PRO 12 -5.106 -4.657 -4.387 58 HB2 PRO 12 1HB PRO 12 -5.832 -2.158 -3.615 59 HB3 PRO 12 2HB PRO 12 -7.003 -3.439 -3.947 60 HG2 PRO 12 1HG PRO 12 -5.937 -2.482 -1.318 61 HG3 PRO 12 2HG PRO 12 -7.602 -2.898 -1.766 62 HD2 PRO 12 1HD PRO 12 -5.998 -4.589 -0.388 63 HD3 PRO 12 2HD PRO 12 -7.234 -5.160 -1.526 64 H TYR 13 H TYR 13 -3.261 -4.445 -1.658 65 HA TYR 13 HA TYR 13 -1.385 -2.578 -2.949 66 HB2 TYR 13 1HB TYR 13 -1.846 -2.872 0.026 67 HB3 TYR 13 2HB TYR 13 -0.686 -1.793 -0.740 68 HD1 TYR 13 HD2 TYR 13 -1.519 0.131 -2.103 69 HD2 TYR 13 HD1 TYR 13 -4.127 -2.260 0.259 70 HE1 TYR 13 HE2 TYR 13 -3.228 1.897 -2.213 71 HE2 TYR 13 HE1 TYR 13 -5.843 -0.502 0.155 72 HH TYR 13 HH TYR 13 -5.678 2.210 -0.237 73 H LYS 14 H LYS 14 0.401 -3.588 -3.546 74 HA LYS 14 HA LYS 14 1.612 -5.559 -1.762 75 HB2 LYS 14 1HB LYS 14 0.337 -6.958 -3.239 76 HB3 LYS 14 2HB LYS 14 0.901 -6.074 -4.651 77 HG2 LYS 14 1HG LYS 14 3.187 -6.879 -4.208 78 HG3 LYS 14 2HG LYS 14 2.566 -7.822 -2.850 79 HD2 LYS 14 1HD LYS 14 1.239 -9.174 -4.302 80 HD3 LYS 14 2HD LYS 14 1.574 -8.123 -5.680 81 HE2 LYS 14 1HE LYS 14 3.904 -8.766 -5.648 82 HE3 LYS 14 2HE LYS 14 3.651 -9.724 -4.190 83 HZ1 LYS 14 3HZ LYS 14 3.701 -11.106 -6.174 84 HZ2 LYS 14 1HZ LYS 14 2.400 -10.248 -6.832 85 HZ3 LYS 14 2HZ LYS 14 2.181 -11.175 -5.435 86 H CYS 15 H CYS 15 3.730 -5.228 -1.572 87 HA CYS 15 HA CYS 15 5.015 -3.190 -3.130 88 HB2 CYS 15 1HB CYS 15 5.449 -3.568 -0.695 89 HB3 CYS 15 2HB CYS 15 6.254 -5.076 -1.117 90 H ASN 16 H ASN 16 4.577 -4.463 -5.175 91 HA ASN 16 HA ASN 16 5.564 -6.785 -6.032 92 HB2 ASN 16 1HB ASN 16 6.059 -4.201 -7.526 93 HB3 ASN 16 2HB ASN 16 5.937 -5.813 -8.226 94 HD21 ASN 16 1HD2 ASN 16 3.845 -6.951 -7.783 95 HD22 ASN 16 2HD2 ASN 16 2.403 -6.002 -7.871 96 H GLU 17 H GLU 17 7.526 -3.956 -5.289 97 HA GLU 17 HA GLU 17 9.968 -4.583 -6.301 98 HB2 GLU 17 1HB GLU 17 9.588 -2.555 -5.024 99 HB3 GLU 17 2HB GLU 17 9.365 -3.488 -3.550 100 HG2 GLU 17 1HG GLU 17 11.561 -2.432 -3.640 101 HG3 GLU 17 2HG GLU 17 11.679 -4.190 -3.605 102 H CYS 18 H CYS 18 8.850 -5.632 -3.078 103 HA CYS 18 HA CYS 18 10.832 -7.803 -3.187 104 HB2 CYS 18 1HB CYS 18 10.628 -7.905 -0.745 105 HB3 CYS 18 2HB CYS 18 11.069 -6.285 -1.274 106 H GLY 19 H GLY 19 7.444 -7.083 -2.458 107 HA2 GLY 19 1HA GLY 19 5.859 -8.755 -3.416 108 HA3 GLY 19 2HA GLY 19 6.883 -9.977 -2.676 109 H LYS 20 H LYS 20 6.408 -7.078 -0.900 110 HA LYS 20 HA LYS 20 5.081 -8.517 1.204 111 HB2 LYS 20 1HB LYS 20 6.796 -6.489 1.281 112 HB3 LYS 20 2HB LYS 20 5.313 -5.544 1.247 113 HG2 LYS 20 1HG LYS 20 5.520 -5.746 3.486 114 HG3 LYS 20 2HG LYS 20 4.656 -7.254 3.180 115 HD2 LYS 20 1HD LYS 20 7.620 -7.300 3.002 116 HD3 LYS 20 2HD LYS 20 6.898 -7.167 4.607 117 HE2 LYS 20 1HE LYS 20 6.287 -9.307 2.569 118 HE3 LYS 20 2HE LYS 20 7.321 -9.501 3.984 119 HZ1 LYS 20 3HZ LYS 20 4.723 -8.474 4.629 120 HZ2 LYS 20 1HZ LYS 20 5.564 -9.780 5.299 121 HZ3 LYS 20 2HZ LYS 20 4.653 -9.994 3.890 122 H VAL 21 H VAL 21 3.085 -7.733 2.229 123 HA VAL 21 HA VAL 21 1.236 -6.417 0.365 124 HB VAL 21 HB VAL 21 0.636 -8.952 1.895 125 HG11 VAL 21 1HG1 VAL 21 -1.476 -8.593 0.252 126 HG12 VAL 21 2HG1 VAL 21 -1.438 -8.068 1.936 127 HG13 VAL 21 3HG1 VAL 21 -1.087 -6.919 0.645 128 HG21 VAL 21 3HG2 VAL 21 1.179 -8.352 -0.984 129 HG22 VAL 21 1HG2 VAL 21 1.797 -9.661 0.025 130 HG23 VAL 21 2HG2 VAL 21 0.128 -9.698 -0.543 131 H PHE 22 H PHE 22 -0.241 -5.071 1.290 132 HA PHE 22 HA PHE 22 -0.457 -5.031 4.212 133 HB2 PHE 22 1HB PHE 22 -0.075 -2.488 2.638 134 HB3 PHE 22 2HB PHE 22 -0.015 -2.706 4.384 135 HD1 PHE 22 HD1 PHE 22 1.756 -3.465 1.228 136 HD2 PHE 22 HD2 PHE 22 1.995 -3.232 5.471 137 HE1 PHE 22 HE1 PHE 22 4.197 -3.748 1.103 138 HE2 PHE 22 HE2 PHE 22 4.437 -3.513 5.353 139 HZ PHE 22 HZ PHE 22 5.541 -3.771 3.166 140 H THR 23 H THR 23 -2.214 -3.412 4.886 141 HA THR 23 HA THR 23 -4.534 -3.894 3.165 142 HB THR 23 HB THR 23 -4.472 -2.945 6.036 143 HG1 THR 23 HG1 THR 23 -3.698 -5.101 5.785 144 HG21 THR 23 3HG2 THR 23 -6.866 -4.280 5.024 145 HG22 THR 23 1HG2 THR 23 -6.521 -2.751 4.216 146 HG23 THR 23 2HG2 THR 23 -6.711 -2.799 5.969 147 H GLN 24 H GLN 24 -3.193 -1.257 5.161 148 HA GLN 24 HA GLN 24 -4.823 0.700 3.795 149 HB2 GLN 24 1HB GLN 24 -4.539 1.199 6.063 150 HB3 GLN 24 2HB GLN 24 -2.826 0.806 6.033 151 HG2 GLN 24 1HG GLN 24 -2.913 3.131 6.212 152 HG3 GLN 24 2HG GLN 24 -2.542 2.819 4.517 153 HE21 GLN 24 1HE2 GLN 24 -3.502 5.241 5.213 154 HE22 GLN 24 2HE2 GLN 24 -5.126 5.433 4.657 155 H ASN 25 H ASN 25 -4.077 2.377 2.484 156 HA ASN 25 HA ASN 25 -1.988 1.708 0.705 157 HB2 ASN 25 1HB ASN 25 -2.379 3.962 -0.256 158 HB3 ASN 25 2HB ASN 25 -3.872 3.056 -0.031 159 HD21 ASN 25 1HD2 ASN 25 -2.032 5.808 0.892 160 HD22 ASN 25 2HD2 ASN 25 -3.229 6.544 1.897 161 H SER 26 H SER 26 -2.232 4.314 3.124 162 HA SER 26 HA SER 26 0.254 5.447 2.839 163 HB2 SER 26 1HB SER 26 -1.736 6.011 4.457 164 HB3 SER 26 2HB SER 26 -0.829 5.022 5.602 165 HG SER 26 HG SER 26 0.325 7.174 4.168 166 H HIS 27 H HIS 27 -0.578 2.394 4.280 167 HA HIS 27 HA HIS 27 1.837 1.978 5.711 168 HB2 HIS 27 1HB HIS 27 -0.163 -0.016 4.627 169 HB3 HIS 27 2HB HIS 27 1.132 -0.403 5.755 170 HD1 HIS 27 HD1 HIS 27 -1.189 -1.181 7.087 171 HD2 HIS 27 HD2 HIS 27 -0.321 2.875 6.856 172 HE1 HIS 27 HE1 HIS 27 -2.532 -0.101 8.918 173 H LEU 28 H LEU 28 0.769 1.157 2.447 174 HA LEU 28 HA LEU 28 3.029 -0.400 1.755 175 HB2 LEU 28 1HB LEU 28 1.106 -0.683 0.438 176 HB3 LEU 28 2HB LEU 28 0.941 1.049 0.159 177 HG LEU 28 HG LEU 28 2.955 0.975 -1.272 178 HD11 LEU 28 1HD1 LEU 28 4.115 -0.907 -0.357 179 HD12 LEU 28 2HD1 LEU 28 3.728 -1.262 -2.040 180 HD13 LEU 28 3HD1 LEU 28 2.774 -1.986 -0.745 181 HD21 LEU 28 3HD2 LEU 28 1.845 -0.531 -3.069 182 HD22 LEU 28 1HD2 LEU 28 1.004 0.916 -2.512 183 HD23 LEU 28 2HD2 LEU 28 0.535 -0.669 -1.895 184 H THR 29 H THR 29 2.156 2.901 0.709 185 HA THR 29 HA THR 29 4.522 3.565 -0.543 186 HB THR 29 HB THR 29 2.660 5.045 -0.752 187 HG1 THR 29 HG1 THR 29 3.944 6.725 -0.825 188 HG21 THR 29 3HG2 THR 29 2.339 4.620 2.001 189 HG22 THR 29 1HG2 THR 29 1.326 5.605 0.946 190 HG23 THR 29 2HG2 THR 29 2.670 6.343 1.819 191 H ASN 30 H ASN 30 3.816 3.409 2.866 192 HA ASN 30 HA ASN 30 6.116 4.885 3.715 193 HB2 ASN 30 1HB ASN 30 4.280 4.817 5.229 194 HB3 ASN 30 2HB ASN 30 4.190 3.060 5.152 195 HD21 ASN 30 1HD2 ASN 30 5.320 5.672 6.878 196 HD22 ASN 30 2HD2 ASN 30 6.435 4.849 7.909 197 H HIS 31 H HIS 31 5.289 1.421 3.681 198 HA HIS 31 HA HIS 31 7.552 0.325 4.738 199 HB2 HIS 31 1HB HIS 31 5.930 -1.240 4.194 200 HB3 HIS 31 2HB HIS 31 5.691 -0.584 2.578 201 HD1 HIS 31 HD1 HIS 31 8.194 -2.649 4.530 202 HD2 HIS 31 HD2 HIS 31 7.081 -1.863 0.605 203 HE1 HIS 31 HE1 HIS 31 9.507 -4.267 3.122 204 H TRP 32 H TRP 32 7.079 1.196 1.319 205 HA TRP 32 HA TRP 32 9.355 0.411 0.136 206 HB2 TRP 32 1HB TRP 32 7.714 2.878 -0.146 207 HB3 TRP 32 2HB TRP 32 9.276 2.850 -0.959 208 HD1 TRP 32 HD1 TRP 32 6.123 0.584 -0.768 209 HE1 TRP 32 HE1 TRP 32 5.753 -0.445 -3.098 210 HE3 TRP 32 HE3 TRP 32 10.203 2.518 -3.167 211 HZ2 TRP 32 HZ2 TRP 32 7.023 -0.439 -5.619 212 HZ3 TRP 32 HZ3 TRP 32 10.553 1.957 -5.537 213 HH2 TRP 32 HH2 TRP 32 8.995 0.509 -6.735 214 H ARG 33 H ARG 33 9.081 3.080 2.415 215 HA ARG 33 HA ARG 33 11.505 4.331 2.144 216 HB2 ARG 33 1HB ARG 33 9.890 3.712 4.612 217 HB3 ARG 33 2HB ARG 33 11.358 4.678 4.676 218 HG2 ARG 33 1HG ARG 33 10.416 6.414 3.441 219 HG3 ARG 33 2HG ARG 33 9.117 5.392 2.824 220 HD2 ARG 33 1HD ARG 33 8.262 6.914 4.508 221 HD3 ARG 33 2HD ARG 33 8.173 5.251 5.086 222 HE ARG 33 HE ARG 33 9.685 5.770 6.732 223 HH11 ARG 33 1HH1 ARG 33 9.616 8.326 4.369 224 HH12 ARG 33 2HH1 ARG 33 10.585 9.405 5.316 225 HH21 ARG 33 1HH2 ARG 33 10.962 7.182 7.989 226 HH22 ARG 33 2HH2 ARG 33 11.351 8.753 7.375 227 H ILE 34 H ILE 34 10.816 1.403 4.035 228 HA ILE 34 HA ILE 34 13.307 0.991 5.162 229 HB ILE 34 HB ILE 34 12.718 -1.281 5.480 230 HG12 ILE 34 1HG1 ILE 34 10.529 -2.031 4.142 231 HG13 ILE 34 2HG1 ILE 34 11.166 -0.883 2.970 232 HG21 ILE 34 1HG2 ILE 34 10.024 0.025 5.339 233 HG22 ILE 34 2HG2 ILE 34 10.654 -1.094 6.546 234 HG23 ILE 34 3HG2 ILE 34 11.244 0.566 6.492 235 HD11 ILE 34 3HD1 ILE 34 11.817 -3.477 3.017 236 HD12 ILE 34 1HD1 ILE 34 12.888 -2.215 2.408 237 HD13 ILE 34 2HD1 ILE 34 13.093 -2.830 4.048 238 H HIS 35 H HIS 35 12.197 0.308 1.904 239 HA HIS 35 HA HIS 35 14.470 -1.233 1.136 240 HB2 HIS 35 1HB HIS 35 12.267 0.135 -0.393 241 HB3 HIS 35 2HB HIS 35 13.607 -0.653 -1.222 242 HD1 HIS 35 HD1 HIS 35 13.872 -3.195 0.466 243 HD2 HIS 35 HD2 HIS 35 10.242 -1.629 -0.811 244 HE1 HIS 35 HE1 HIS 35 12.263 -5.129 0.478 245 H THR 36 H THR 36 13.599 2.173 0.937 246 HA THR 36 HA THR 36 16.380 2.767 0.188 247 HB THR 36 HB THR 36 15.310 3.165 -1.855 248 HG1 THR 36 HG1 THR 36 15.292 5.480 -1.996 249 HG21 THR 36 3HG2 THR 36 13.010 3.822 -0.157 250 HG22 THR 36 1HG2 THR 36 13.062 3.104 -1.767 251 HG23 THR 36 2HG2 THR 36 13.181 4.853 -1.578 252 H GLY 37 H GLY 37 16.763 3.224 2.407 253 HA2 GLY 37 1HA GLY 37 16.138 5.953 3.110 254 HA3 GLY 37 2HA GLY 37 15.389 4.763 4.165 255 H GLU 38 H GLU 38 18.348 6.295 3.208 256 HA GLU 38 HA GLU 38 19.837 4.756 5.219 257 HB2 GLU 38 1HB GLU 38 20.644 6.309 2.792 258 HB3 GLU 38 2HB GLU 38 21.801 6.091 4.097 259 HG2 GLU 38 1HG GLU 38 22.305 4.312 2.754 260 HG3 GLU 38 2HG GLU 38 21.158 3.578 3.874 261 H LYS 39 H LYS 39 18.285 6.259 6.594 262 HA LYS 39 HA LYS 39 18.846 8.964 6.952 263 HB2 LYS 39 1HB LYS 39 17.590 6.826 8.570 264 HB3 LYS 39 2HB LYS 39 18.152 8.236 9.458 265 HG2 LYS 39 1HG LYS 39 16.852 9.559 7.627 266 HG3 LYS 39 2HG LYS 39 16.009 8.025 7.397 267 HD2 LYS 39 1HD LYS 39 15.816 8.133 10.027 268 HD3 LYS 39 2HD LYS 39 16.015 9.864 9.740 269 HE2 LYS 39 1HE LYS 39 13.971 8.174 8.315 270 HE3 LYS 39 2HE LYS 39 13.637 9.030 9.820 271 HZ1 LYS 39 3HZ LYS 39 13.771 10.042 7.150 272 HZ2 LYS 39 1HZ LYS 39 14.757 10.922 8.206 273 HZ3 LYS 39 2HZ LYS 39 13.107 10.748 8.536 274 HA PRO 40 HA PRO 40 21.996 7.753 10.404 275 HB2 PRO 40 1HB PRO 40 22.676 5.133 10.615 276 HB3 PRO 40 2HB PRO 40 21.317 5.847 11.492 277 HG2 PRO 40 1HG PRO 40 21.308 4.247 8.962 278 HG3 PRO 40 2HG PRO 40 20.216 4.144 10.355 279 HD2 PRO 40 1HD PRO 40 19.547 5.437 8.073 280 HD3 PRO 40 2HD PRO 40 18.965 5.953 9.668 281 H SER 41 H SER 41 24.291 6.516 10.413 282 HA SER 41 HA SER 41 25.883 7.523 8.509 283 HB2 SER 41 1HB SER 41 26.117 4.918 9.996 284 HB3 SER 41 2HB SER 41 27.370 5.430 8.865 285 HG SER 41 HG SER 41 27.877 6.156 10.934 286 H GLY 42 H GLY 42 25.370 7.568 6.393 287 HA2 GLY 42 1HA GLY 42 25.875 5.348 4.752 288 HA3 GLY 42 2HA GLY 42 24.135 5.491 4.955 289 HA PRO 43 HA PRO 43 25.797 9.428 2.620 290 HB2 PRO 43 1HB PRO 43 28.144 9.032 1.313 291 HB3 PRO 43 2HB PRO 43 28.057 9.671 2.959 292 HG2 PRO 43 1HG PRO 43 28.628 6.880 2.038 293 HG3 PRO 43 2HG PRO 43 29.423 7.823 3.313 294 HD2 PRO 43 1HD PRO 43 27.556 5.935 3.846 295 HD3 PRO 43 2HD PRO 43 27.758 7.387 4.847 296 H SER 44 H SER 44 25.610 9.900 0.362 297 HA SER 44 HA SER 44 25.547 7.685 -1.513 298 HB2 SER 44 1HB SER 44 23.219 8.102 -2.196 299 HB3 SER 44 2HB SER 44 23.306 7.601 -0.507 300 HG SER 44 HG SER 44 22.187 9.351 -0.180 301 H SER 45 H SER 45 24.813 8.535 -3.739 302 HA SER 45 HA SER 45 26.514 10.694 -4.431 303 HB2 SER 45 1HB SER 45 25.828 8.708 -5.895 304 HB3 SER 45 2HB SER 45 24.327 9.585 -6.190 305 HG SER 45 HG SER 45 26.694 9.916 -7.362 306 H GLY 46 H GLY 46 26.031 12.686 -3.713 307 HA2 GLY 46 1HA GLY 46 23.646 13.962 -4.747 308 HA3 GLY 46 2HA GLY 46 23.698 13.832 -2.995 Start of MODEL 20 1 H1 GLY 1 H GLY 1 10.076 -15.187 -7.890 2 HA2 GLY 1 1HA GLY 1 8.797 -16.934 -9.861 3 HA3 GLY 1 2HA GLY 1 9.769 -17.698 -8.612 4 H SER 2 H SER 2 7.714 -18.779 -8.107 5 HA SER 2 HA SER 2 6.458 -17.553 -5.869 6 HB2 SER 2 1HB SER 2 4.155 -17.485 -6.758 7 HB3 SER 2 2HB SER 2 5.215 -16.365 -7.614 8 HG SER 2 HG SER 2 4.985 -17.494 -9.385 9 H SER 3 H SER 3 6.446 -19.248 -4.557 10 HA SER 3 HA SER 3 5.814 -21.899 -5.642 11 HB2 SER 3 1HB SER 3 6.812 -22.786 -3.582 12 HB3 SER 3 2HB SER 3 7.929 -21.691 -4.396 13 HG SER 3 HG SER 3 7.856 -21.236 -2.182 14 H GLY 4 H GLY 4 3.658 -20.166 -5.371 15 HA2 GLY 4 1HA GLY 4 1.509 -20.171 -4.561 16 HA3 GLY 4 2HA GLY 4 1.877 -21.729 -3.837 17 H SER 5 H SER 5 0.227 -20.307 -2.400 18 HA SER 5 HA SER 5 1.582 -19.878 0.039 19 HB2 SER 5 1HB SER 5 2.006 -17.726 -1.440 20 HB3 SER 5 2HB SER 5 0.377 -17.309 -0.906 21 HG SER 5 HG SER 5 1.742 -16.487 0.610 22 H SER 6 H SER 6 0.069 -18.974 1.736 23 HA SER 6 HA SER 6 -2.658 -19.910 1.152 24 HB2 SER 6 1HB SER 6 -1.229 -19.691 3.813 25 HB3 SER 6 2HB SER 6 -2.868 -20.297 3.578 26 HG SER 6 HG SER 6 -2.069 -22.147 2.995 27 H GLY 7 H GLY 7 -4.423 -18.659 1.626 28 HA2 GLY 7 1HA GLY 7 -4.668 -16.488 3.262 29 HA3 GLY 7 2HA GLY 7 -3.970 -15.826 1.791 30 H SER 8 H SER 8 -6.618 -15.411 3.061 31 HA SER 8 HA SER 8 -8.419 -16.542 1.049 32 HB2 SER 8 1HB SER 8 -10.232 -15.703 2.497 33 HB3 SER 8 2HB SER 8 -9.119 -16.740 3.390 34 HG SER 8 HG SER 8 -9.669 -14.066 3.698 35 H GLY 9 H GLY 9 -7.787 -13.368 2.561 36 HA2 GLY 9 1HA GLY 9 -8.774 -12.108 0.081 37 HA3 GLY 9 2HA GLY 9 -8.799 -11.351 1.667 38 H GLU 10 H GLU 10 -7.037 -11.826 -1.213 39 HA GLU 10 HA GLU 10 -4.507 -10.932 -0.117 40 HB2 GLU 10 1HB GLU 10 -4.668 -12.600 -1.981 41 HB3 GLU 10 2HB GLU 10 -5.277 -11.314 -3.014 42 HG2 GLU 10 1HG GLU 10 -2.955 -11.595 -3.458 43 HG3 GLU 10 2HG GLU 10 -3.172 -10.066 -2.609 44 H LYS 11 H LYS 11 -4.862 -8.866 0.647 45 HA LYS 11 HA LYS 11 -6.274 -6.797 -0.411 46 HB2 LYS 11 1HB LYS 11 -3.538 -6.615 0.863 47 HB3 LYS 11 2HB LYS 11 -4.656 -5.272 0.668 48 HG2 LYS 11 1HG LYS 11 -6.016 -5.975 2.348 49 HG3 LYS 11 2HG LYS 11 -5.637 -7.680 2.092 50 HD2 LYS 11 1HD LYS 11 -3.322 -7.150 2.987 51 HD3 LYS 11 2HD LYS 11 -3.982 -5.594 3.495 52 HE2 LYS 11 1HE LYS 11 -5.531 -6.636 4.962 53 HE3 LYS 11 2HE LYS 11 -5.199 -8.230 4.287 54 HZ1 LYS 11 3HZ LYS 11 -3.751 -6.741 6.292 55 HZ2 LYS 11 1HZ LYS 11 -2.767 -7.461 5.119 56 HZ3 LYS 11 2HZ LYS 11 -3.830 -8.410 6.030 57 HA PRO 12 HA PRO 12 -4.495 -5.882 -4.342 58 HB2 PRO 12 1HB PRO 12 -5.506 -3.381 -4.655 59 HB3 PRO 12 2HB PRO 12 -6.487 -4.842 -4.824 60 HG2 PRO 12 1HG PRO 12 -6.236 -2.989 -2.486 61 HG3 PRO 12 2HG PRO 12 -7.691 -3.733 -3.173 62 HD2 PRO 12 1HD PRO 12 -6.472 -4.693 -0.954 63 HD3 PRO 12 2HD PRO 12 -7.317 -5.744 -2.109 64 H TYR 13 H TYR 13 -3.678 -4.346 -1.447 65 HA TYR 13 HA TYR 13 -1.782 -2.507 -2.692 66 HB2 TYR 13 1HB TYR 13 -2.695 -2.915 0.153 67 HB3 TYR 13 2HB TYR 13 -1.332 -1.879 -0.255 68 HD1 TYR 13 HD1 TYR 13 -4.053 -2.030 -2.638 69 HD2 TYR 13 HD2 TYR 13 -2.589 -0.010 0.808 70 HE1 TYR 13 HE1 TYR 13 -5.603 -0.172 -3.076 71 HE2 TYR 13 HE2 TYR 13 -4.136 1.854 0.380 72 HH TYR 13 HH TYR 13 -6.123 2.367 -0.782 73 H LYS 14 H LYS 14 -0.301 -3.992 -3.553 74 HA LYS 14 HA LYS 14 1.325 -5.406 -1.541 75 HB2 LYS 14 1HB LYS 14 -0.009 -6.790 -3.272 76 HB3 LYS 14 2HB LYS 14 1.185 -6.221 -4.432 77 HG2 LYS 14 1HG LYS 14 2.962 -7.183 -2.987 78 HG3 LYS 14 2HG LYS 14 1.696 -7.864 -1.962 79 HD2 LYS 14 1HD LYS 14 2.078 -9.648 -3.338 80 HD3 LYS 14 2HD LYS 14 0.834 -8.816 -4.274 81 HE2 LYS 14 1HE LYS 14 3.726 -8.192 -4.716 82 HE3 LYS 14 2HE LYS 14 3.007 -9.626 -5.449 83 HZ1 LYS 14 3HZ LYS 14 2.616 -6.827 -6.092 84 HZ2 LYS 14 1HZ LYS 14 1.210 -7.768 -6.095 85 HZ3 LYS 14 2HZ LYS 14 2.514 -8.192 -7.085 86 H CYS 15 H CYS 15 3.581 -5.395 -1.813 87 HA CYS 15 HA CYS 15 4.582 -3.016 -3.116 88 HB2 CYS 15 1HB CYS 15 5.450 -3.488 -0.928 89 HB3 CYS 15 2HB CYS 15 5.904 -5.122 -1.401 90 H ASN 16 H ASN 16 6.552 -3.098 -4.463 91 HA ASN 16 HA ASN 16 6.419 -5.377 -6.316 92 HB2 ASN 16 1HB ASN 16 5.949 -2.951 -7.083 93 HB3 ASN 16 2HB ASN 16 7.692 -2.727 -6.955 94 HD21 ASN 16 1HD2 ASN 16 8.813 -3.107 -8.716 95 HD22 ASN 16 2HD2 ASN 16 8.325 -4.104 -10.040 96 H GLU 17 H GLU 17 8.586 -3.376 -4.412 97 HA GLU 17 HA GLU 17 11.042 -4.278 -5.364 98 HB2 GLU 17 1HB GLU 17 10.460 -2.433 -3.618 99 HB3 GLU 17 2HB GLU 17 10.608 -3.735 -2.446 100 HG2 GLU 17 1HG GLU 17 12.687 -2.577 -2.559 101 HG3 GLU 17 2HG GLU 17 12.896 -4.168 -3.286 102 H CYS 18 H CYS 18 8.937 -5.640 -2.863 103 HA CYS 18 HA CYS 18 10.524 -8.119 -3.000 104 HB2 CYS 18 1HB CYS 18 9.906 -8.497 -0.605 105 HB3 CYS 18 2HB CYS 18 10.968 -7.116 -0.858 106 H GLY 19 H GLY 19 7.344 -6.755 -2.163 107 HA2 GLY 19 1HA GLY 19 5.478 -7.747 -3.515 108 HA3 GLY 19 2HA GLY 19 6.141 -9.306 -3.045 109 H LYS 20 H LYS 20 6.415 -7.043 -0.567 110 HA LYS 20 HA LYS 20 4.861 -8.417 1.257 111 HB2 LYS 20 1HB LYS 20 6.568 -6.442 1.547 112 HB3 LYS 20 2HB LYS 20 5.122 -5.443 1.482 113 HG2 LYS 20 1HG LYS 20 4.348 -6.182 3.491 114 HG3 LYS 20 2HG LYS 20 5.128 -7.758 3.338 115 HD2 LYS 20 1HD LYS 20 6.779 -5.280 3.641 116 HD3 LYS 20 2HD LYS 20 6.043 -6.036 5.056 117 HE2 LYS 20 1HE LYS 20 7.112 -8.213 4.073 118 HE3 LYS 20 2HE LYS 20 8.162 -7.077 3.228 119 HZ1 LYS 20 3HZ LYS 20 8.744 -6.108 5.385 120 HZ2 LYS 20 1HZ LYS 20 9.157 -7.746 5.301 121 HZ3 LYS 20 2HZ LYS 20 7.787 -7.262 6.168 122 H VAL 21 H VAL 21 2.868 -7.697 2.360 123 HA VAL 21 HA VAL 21 0.980 -6.386 0.518 124 HB VAL 21 HB VAL 21 0.385 -8.798 2.238 125 HG11 VAL 21 1HG1 VAL 21 -1.821 -8.754 1.301 126 HG12 VAL 21 2HG1 VAL 21 -1.483 -7.167 1.995 127 HG13 VAL 21 3HG1 VAL 21 -1.399 -7.404 0.249 128 HG21 VAL 21 3HG2 VAL 21 1.738 -8.914 -0.047 129 HG22 VAL 21 1HG2 VAL 21 0.542 -10.131 0.399 130 HG23 VAL 21 2HG2 VAL 21 0.108 -8.836 -0.716 131 H PHE 22 H PHE 22 -0.642 -5.141 1.454 132 HA PHE 22 HA PHE 22 -0.763 -4.908 4.348 133 HB2 PHE 22 1HB PHE 22 -0.264 -2.414 2.733 134 HB3 PHE 22 2HB PHE 22 -0.185 -2.620 4.480 135 HD1 PHE 22 HD1 PHE 22 1.497 -3.483 1.303 136 HD2 PHE 22 HD2 PHE 22 1.817 -3.231 5.539 137 HE1 PHE 22 HE1 PHE 22 3.920 -3.879 1.140 138 HE2 PHE 22 HE2 PHE 22 4.240 -3.626 5.384 139 HZ PHE 22 HZ PHE 22 5.295 -3.949 3.182 140 H THR 23 H THR 23 -2.501 -3.363 5.022 141 HA THR 23 HA THR 23 -4.826 -3.791 3.341 142 HB THR 23 HB THR 23 -4.674 -2.487 6.065 143 HG1 THR 23 HG1 THR 23 -4.084 -4.892 5.633 144 HG21 THR 23 3HG2 THR 23 -6.727 -1.863 5.120 145 HG22 THR 23 1HG2 THR 23 -7.115 -3.288 6.082 146 HG23 THR 23 2HG2 THR 23 -6.942 -3.425 4.332 147 H GLN 24 H GLN 24 -3.372 -0.987 5.005 148 HA GLN 24 HA GLN 24 -4.838 0.809 3.236 149 HB2 GLN 24 1HB GLN 24 -3.113 1.323 5.661 150 HB3 GLN 24 2HB GLN 24 -3.869 2.594 4.710 151 HG2 GLN 24 1HG GLN 24 -6.076 1.454 5.196 152 HG3 GLN 24 2HG GLN 24 -5.199 0.487 6.381 153 HE21 GLN 24 1HE2 GLN 24 -7.088 1.758 7.516 154 HE22 GLN 24 2HE2 GLN 24 -6.582 3.204 8.315 155 H ASN 25 H ASN 25 -3.673 2.668 2.276 156 HA ASN 25 HA ASN 25 -1.526 1.770 0.667 157 HB2 ASN 25 1HB ASN 25 -3.331 3.679 0.311 158 HB3 ASN 25 2HB ASN 25 -2.060 4.690 0.993 159 HD21 ASN 25 1HD2 ASN 25 -1.375 5.793 -0.729 160 HD22 ASN 25 2HD2 ASN 25 -0.757 5.083 -2.178 161 H SER 26 H SER 26 -1.592 4.417 3.061 162 HA SER 26 HA SER 26 0.952 5.192 3.216 163 HB2 SER 26 1HB SER 26 -1.008 5.770 4.789 164 HB3 SER 26 2HB SER 26 -0.433 4.431 5.782 165 HG SER 26 HG SER 26 0.421 6.837 5.922 166 H HIS 27 H HIS 27 -0.246 2.255 4.829 167 HA HIS 27 HA HIS 27 2.098 1.388 5.997 168 HB2 HIS 27 1HB HIS 27 -0.059 -0.310 4.724 169 HB3 HIS 27 2HB HIS 27 1.150 -0.890 5.865 170 HD1 HIS 27 HD1 HIS 27 -0.788 -1.586 7.477 171 HD2 HIS 27 HD2 HIS 27 -0.531 2.492 6.722 172 HE1 HIS 27 HE1 HIS 27 -2.222 -0.486 9.227 173 H LEU 28 H LEU 28 0.944 0.780 2.696 174 HA LEU 28 HA LEU 28 3.289 -0.722 1.983 175 HB2 LEU 28 1HB LEU 28 1.335 -1.341 0.846 176 HB3 LEU 28 2HB LEU 28 0.924 0.330 0.468 177 HG LEU 28 HG LEU 28 2.862 0.381 -1.100 178 HD11 LEU 28 1HD1 LEU 28 4.148 -1.435 -0.054 179 HD12 LEU 28 2HD1 LEU 28 3.893 -1.700 -1.779 180 HD13 LEU 28 3HD1 LEU 28 2.932 -2.591 -0.599 181 HD21 LEU 28 3HD2 LEU 28 1.538 -1.746 -2.391 182 HD22 LEU 28 1HD2 LEU 28 1.264 -0.015 -2.585 183 HD23 LEU 28 2HD2 LEU 28 0.338 -0.925 -1.392 184 H THR 29 H THR 29 1.956 2.375 0.811 185 HA THR 29 HA THR 29 4.054 3.220 -0.734 186 HB THR 29 HB THR 29 2.726 5.235 1.034 187 HG1 THR 29 HG1 THR 29 1.461 3.759 -1.053 188 HG21 THR 29 3HG2 THR 29 2.551 6.406 -1.197 189 HG22 THR 29 1HG2 THR 29 3.521 5.096 -1.871 190 HG23 THR 29 2HG2 THR 29 4.191 6.133 -0.611 191 H ASN 30 H ASN 30 3.850 3.135 2.745 192 HA ASN 30 HA ASN 30 6.246 4.732 3.095 193 HB2 ASN 30 1HB ASN 30 4.475 3.269 5.061 194 HB3 ASN 30 2HB ASN 30 5.898 4.197 5.526 195 HD21 ASN 30 1HD2 ASN 30 3.163 4.629 6.299 196 HD22 ASN 30 2HD2 ASN 30 2.734 6.212 5.757 197 H HIS 31 H HIS 31 5.247 1.357 3.361 198 HA HIS 31 HA HIS 31 7.487 0.238 4.517 199 HB2 HIS 31 1HB HIS 31 5.812 -1.311 4.215 200 HB3 HIS 31 2HB HIS 31 5.437 -0.748 2.589 201 HD1 HIS 31 HD1 HIS 31 7.930 -2.890 4.444 202 HD2 HIS 31 HD2 HIS 31 6.676 -2.126 0.557 203 HE1 HIS 31 HE1 HIS 31 9.054 -4.631 3.020 204 H TRP 32 H TRP 32 7.003 1.280 1.197 205 HA TRP 32 HA TRP 32 9.207 0.090 -0.012 206 HB2 TRP 32 1HB TRP 32 7.550 2.499 -0.563 207 HB3 TRP 32 2HB TRP 32 9.090 2.368 -1.408 208 HD1 TRP 32 HD1 TRP 32 5.962 0.130 -0.835 209 HE1 TRP 32 HE1 TRP 32 5.529 -1.184 -3.006 210 HE3 TRP 32 HE3 TRP 32 9.943 1.777 -3.588 211 HZ2 TRP 32 HZ2 TRP 32 6.718 -1.483 -5.549 212 HZ3 TRP 32 HZ3 TRP 32 10.223 0.928 -5.881 213 HH2 TRP 32 HH2 TRP 32 8.643 -0.668 -6.839 214 H ARG 33 H ARG 33 8.989 2.976 1.974 215 HA ARG 33 HA ARG 33 11.456 4.137 1.446 216 HB2 ARG 33 1HB ARG 33 9.830 4.035 3.986 217 HB3 ARG 33 2HB ARG 33 11.289 5.004 3.823 218 HG2 ARG 33 1HG ARG 33 10.303 6.376 2.165 219 HG3 ARG 33 2HG ARG 33 8.928 5.285 1.987 220 HD2 ARG 33 1HD ARG 33 8.264 7.216 3.273 221 HD3 ARG 33 2HD ARG 33 8.268 5.791 4.310 222 HE ARG 33 HE ARG 33 10.003 6.701 5.522 223 HH11 ARG 33 1HH1 ARG 33 9.466 8.562 2.629 224 HH12 ARG 33 2HH1 ARG 33 10.495 9.866 3.120 225 HH21 ARG 33 1HH2 ARG 33 11.361 8.412 6.180 226 HH22 ARG 33 2HH2 ARG 33 11.573 9.780 5.140 227 H ILE 34 H ILE 34 10.634 1.414 3.507 228 HA ILE 34 HA ILE 34 13.037 1.180 4.919 229 HB ILE 34 HB ILE 34 12.354 -0.946 5.566 230 HG12 ILE 34 1HG1 ILE 34 10.465 -2.066 4.042 231 HG13 ILE 34 2HG1 ILE 34 11.263 -1.108 2.800 232 HG21 ILE 34 1HG2 ILE 34 10.461 -0.276 6.512 233 HG22 ILE 34 2HG2 ILE 34 10.428 1.084 5.391 234 HG23 ILE 34 3HG2 ILE 34 9.597 -0.417 4.982 235 HD11 ILE 34 3HD1 ILE 34 13.075 -2.425 2.771 236 HD12 ILE 34 1HD1 ILE 34 13.058 -2.668 4.518 237 HD13 ILE 34 2HD1 ILE 34 11.980 -3.609 3.485 238 H HIS 35 H HIS 35 12.222 0.361 1.646 239 HA HIS 35 HA HIS 35 14.461 -1.380 1.212 240 HB2 HIS 35 1HB HIS 35 12.564 -0.003 -0.695 241 HB3 HIS 35 2HB HIS 35 13.830 -1.113 -1.210 242 HD1 HIS 35 HD1 HIS 35 13.488 -3.336 0.867 243 HD2 HIS 35 HD2 HIS 35 10.323 -1.488 -1.091 244 HE1 HIS 35 HE1 HIS 35 11.584 -4.976 0.970 245 H THR 36 H THR 36 13.812 2.037 0.866 246 HA THR 36 HA THR 36 16.178 2.594 -0.663 247 HB THR 36 HB THR 36 15.652 4.980 -0.180 248 HG1 THR 36 HG1 THR 36 13.468 5.221 0.841 249 HG21 THR 36 3HG2 THR 36 13.993 5.071 -1.751 250 HG22 THR 36 1HG2 THR 36 13.060 3.776 -1.002 251 HG23 THR 36 2HG2 THR 36 14.489 3.392 -1.961 252 H GLY 37 H GLY 37 15.187 3.297 2.696 253 HA2 GLY 37 1HA GLY 37 18.010 3.789 3.354 254 HA3 GLY 37 2HA GLY 37 16.630 4.292 4.320 255 H GLU 38 H GLU 38 18.339 3.236 5.866 256 HA GLU 38 HA GLU 38 19.061 1.425 7.100 257 HB2 GLU 38 1HB GLU 38 16.056 1.226 7.038 258 HB3 GLU 38 2HB GLU 38 17.039 0.178 8.051 259 HG2 GLU 38 1HG GLU 38 16.908 3.181 8.179 260 HG3 GLU 38 2HG GLU 38 16.210 2.045 9.332 261 H LYS 39 H LYS 39 19.043 0.918 4.221 262 HA LYS 39 HA LYS 39 17.978 -1.468 3.398 263 HB2 LYS 39 1HB LYS 39 19.108 -0.467 1.686 264 HB3 LYS 39 2HB LYS 39 20.433 0.052 2.720 265 HG2 LYS 39 1HG LYS 39 21.497 -2.029 2.593 266 HG3 LYS 39 2HG LYS 39 20.049 -2.828 1.977 267 HD2 LYS 39 1HD LYS 39 21.215 -2.612 0.026 268 HD3 LYS 39 2HD LYS 39 20.361 -1.067 0.020 269 HE2 LYS 39 1HE LYS 39 23.109 -1.415 1.195 270 HE3 LYS 39 2HE LYS 39 22.839 -0.984 -0.493 271 HZ1 LYS 39 3HZ LYS 39 22.871 1.099 0.279 272 HZ2 LYS 39 1HZ LYS 39 22.590 0.634 1.881 273 HZ3 LYS 39 2HZ LYS 39 21.293 0.793 0.807 274 HA PRO 40 HA PRO 40 21.749 -3.889 5.206 275 HB2 PRO 40 1HB PRO 40 23.402 -2.542 6.886 276 HB3 PRO 40 2HB PRO 40 23.651 -2.603 5.137 277 HG2 PRO 40 1HG PRO 40 22.411 -0.445 6.801 278 HG3 PRO 40 2HG PRO 40 23.556 -0.301 5.454 279 HD2 PRO 40 1HD PRO 40 20.897 0.120 5.158 280 HD3 PRO 40 2HD PRO 40 21.908 -0.551 3.862 281 H SER 41 H SER 41 22.350 -4.710 7.442 282 HA SER 41 HA SER 41 20.039 -4.339 9.191 283 HB2 SER 41 1HB SER 41 22.226 -6.434 9.254 284 HB3 SER 41 2HB SER 41 20.798 -6.410 10.290 285 HG SER 41 HG SER 41 19.692 -6.308 8.067 286 H GLY 42 H GLY 42 20.401 -4.321 11.558 287 HA2 GLY 42 1HA GLY 42 22.947 -3.554 12.605 288 HA3 GLY 42 2HA GLY 42 21.889 -2.165 12.402 289 HA PRO 43 HA PRO 43 21.108 -4.531 16.458 290 HB2 PRO 43 1HB PRO 43 22.294 -2.784 18.165 291 HB3 PRO 43 2HB PRO 43 23.151 -4.149 17.439 292 HG2 PRO 43 1HG PRO 43 23.149 -1.267 16.628 293 HG3 PRO 43 2HG PRO 43 24.510 -2.398 16.737 294 HD2 PRO 43 1HD PRO 43 23.321 -1.771 14.387 295 HD3 PRO 43 2HD PRO 43 24.030 -3.368 14.702 296 H SER 44 H SER 44 19.474 -3.974 17.886 297 HA SER 44 HA SER 44 17.769 -1.836 17.077 298 HB2 SER 44 1HB SER 44 17.674 -3.918 19.236 299 HB3 SER 44 2HB SER 44 16.527 -2.578 19.260 300 HG SER 44 HG SER 44 16.879 -3.971 16.863 301 H SER 45 H SER 45 16.847 -0.275 18.698 302 HA SER 45 HA SER 45 18.926 0.704 20.539 303 HB2 SER 45 1HB SER 45 18.686 1.996 18.319 304 HB3 SER 45 2HB SER 45 17.153 2.571 18.974 305 HG SER 45 HG SER 45 19.472 3.618 19.405 306 H GLY 46 H GLY 46 18.058 2.238 22.187 307 HA2 GLY 46 1HA GLY 46 16.218 1.189 23.847 308 HA3 GLY 46 2HA GLY 46 16.460 2.925 23.719
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